smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(N2C(=O)C[C@H](NCc3ccc(F)cc3)C2=O)cc1 181337 XNJMIMLVSQLHFB-KRWDZBQOSA-N 342.370 2.646 0 50 EFAA CCOC(=O)CC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O 287800 UHHBZUNJAAHRBI-UHFFFAOYSA-N 331.368 2.775 0 50 EFAA O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Nc2ccccc2)C1 309520 KGHGIYCMPZXSMP-CQSZACIVSA-N 343.814 2.832 0 50 EFAA Cc1ccc(C)c(OCC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)c1 4826627 GGOPAQBAMXZPPG-UHFFFAOYSA-N 343.335 2.717 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C2C[C@@H]3CSC[C@H](C2)C3=O)o1 863948163 OKSLWYJDXODDGP-JBMNRGHBSA-N 333.453 2.978 0 50 EFAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 246875642 JTGTYQQXRVWYJQ-FRRDWIJNSA-N 329.400 2.604 0 50 EFAA CCOc1ccc(CC(=O)Nc2ccc(C(=O)NC)cc2C)cc1 60413057 DOSYXAHCGVYYAP-UHFFFAOYSA-N 326.396 2.935 0 50 EFAA Cc1ccc2c(c1C)NC(=O)[C@H]2CC(=O)NCc1c(C)noc1C 102585285 AEEPSGMVFKFDLB-AWEZNQCLSA-N 327.384 2.650 0 50 EFAA CCC[C@H](C)c1nnc(NC(=O)c2cccc(-n3cnnc3)n2)s1 55270631 BKVONIMRVQIWPO-JTQLQIEISA-N 343.416 2.670 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](Sc3nnc(C)s3)C2=O)cc1 100112519 LPUVAAOQTRYTHJ-GFCCVEGCSA-N 349.437 2.669 0 50 EFAA CCc1nc2c(s1)[C@@H](N(C)C(=O)NCCn1cccn1)CCC2 119766789 WZJGLXUCJBPAPX-ZDUSSCGKSA-N 333.461 2.621 0 50 EFAA Cc1ccccc1SCC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 67447246 VVXLLCIIHDGYFW-SFHVURJKSA-N 332.469 2.558 0 50 EFAA CC(C)Oc1cccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c1 20653139 LFFLXJAPNPNCPX-IAGOWNOFSA-N 337.460 2.978 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(N[C@@H](CO)c3ccccc3)c12 67967230 PKZWZVWXVJYEPS-NSHDSACASA-N 329.381 2.843 0 50 EFAA COC[C@H]1CCCN(c2nc(N3CCC[C@@H](COC)C3)ncc2C)C1 110674926 OGFXRFMOGSERDO-DLBZAZTESA-N 348.491 2.511 0 50 EFAA Cc1c(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)sc2cccc(F)c12 330748424 VLTWUUVIRWVZNH-VIFPVBQESA-N 343.445 2.854 0 50 EFAA CCN(c1ccccc1OC)S(=O)(=O)c1ccc(C(=O)O)c(C)c1 349942780 FMOZAXQZDRKYIE-UHFFFAOYSA-N 349.408 2.917 0 50 EFAA FC(F)(F)COc1cnc(-c2noc(CC[C@@H]3CCCO3)n2)cn1 351004948 IFSXAHYQFWQUPL-VIFPVBQESA-N 344.293 2.579 0 50 EFAA CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)N)c1Br 236813724 JEWGHECNMKSWBS-ZJUUUORDSA-N 343.269 2.638 0 50 EFAA Cc1nc(NCc2c[nH]nc2-c2ccc(F)cc2)c2cnn(C)c2n1 72128438 CHBWSSAKPMSDDP-UHFFFAOYSA-N 337.362 2.813 0 50 EFAA COc1cccc([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)c1 72150701 IIILGDCDXFTMET-INIZCTEOSA-N 349.456 2.653 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(CC)cc2)n1 72115950 PPURPNBFGGESEE-UHFFFAOYSA-N 327.432 2.621 0 50 EFAA O=C(Nc1cccc(O)c1F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 129480455 QGXZHFOXOIQIAN-HNNXBMFYSA-N 344.342 2.901 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCN(C(=O)C2CC2)C1 239359598 AEULTXPFXHKBRB-BHYGNILZSA-N 346.858 2.961 0 50 EFAA Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)ccc1C(=O)N(C)C 253433264 UWLQVMPWAJHGKW-XYPHTWIQSA-N 329.444 2.556 0 50 EFAA CC(=O)c1ccc2c(c1)CCN(C(=O)c1cnn(C(C)C)c1)CC2 253419983 DVIBTJAHGSVXPN-UHFFFAOYSA-N 325.412 2.908 0 50 EFAA CSc1cccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C 253417943 PEMLDTJELIYURC-CJNGLKHVSA-N 349.500 2.901 0 50 EFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 241588090 OZLZLJVWNSKZAJ-ZOWXZIJZSA-N 339.819 2.864 0 50 EFAA CC[C@H](C)c1cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)on1 241776772 RSJSOQVPDNWKQY-RRQGHBQHSA-N 349.475 2.686 0 50 EFAA COc1cccc(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)c1O 366926660 RRZBWEZIBXEFJJ-HNNXBMFYSA-N 346.814 2.841 0 50 EFAA CNC(=O)[C@@H]1CCCCN1Cc1cc(OC)c(SC)cc1OC 215143729 ZIQJZQPXYYCJRI-ZDUSSCGKSA-N 338.473 2.526 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1csc(-c2ccccc2)n1 218983324 UPAYYMDEAJCDSS-XNISGKROSA-N 344.436 2.590 0 50 EFAA C[C@H]1CN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C[C@@H](C)N1 153673357 LTUXQXKNWGSBPV-BETUJISGSA-N 347.459 2.624 0 50 EFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3nccs3)CC2)n1 72412374 HRNFSXAMBWQCHG-UHFFFAOYSA-N 334.445 2.717 0 50 EFAA Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 364596490 UNDYRBUONTVMSW-SFHVURJKSA-N 336.395 2.662 0 50 EFAA O=C1CCC[C@@H](CC(=O)N2CCCc3cc(OC(F)F)ccc32)N1 367466415 WIDKAIFNKHKFKT-LBPRGKRZSA-N 338.354 2.626 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc3ccccn3c2)C1 368852647 GDJFOMMIVNZAGT-QGZVFWFLSA-N 339.395 2.975 0 50 EFAA O=C(c1cc2c([nH]c1=O)CCC2)N1CCOc2ccc(Cl)cc2C1 216487249 YIOVCHSWIAUCPI-UHFFFAOYSA-N 344.798 2.552 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(Cl)cc1Cl 134382720 XTRIMRCMUIIUNV-GXFFZTMASA-N 347.242 2.675 0 50 EFAA Cc1nc(S)sc1CC(=O)NCCC[C@H]1CCCC[C@H]1O 134478915 BKGLENWXYJLZPG-VXGBXAGGSA-N 328.503 2.730 0 50 EFAA CC(C)Nc1ncccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 288078481 ZCHDCGXLCPGDIV-HNNXBMFYSA-N 345.365 2.821 0 50 EFAA FC(F)(F)CN1CC[C@@H](c2nc(-c3nccc4[nH]ccc34)no2)C1 289027401 FZAPLCKPNWRJCA-SECBINFHSA-N 337.305 2.965 0 50 EFAA COc1cccc(CCC(=O)N2C[C@H](C(=O)O)c3ccccc32)c1 177480755 CKMCCNHIQNGWLA-INIZCTEOSA-N 325.364 2.843 0 50 EFAA Cc1ccccc1-n1cc(CNc2cc([C@@H]3CCOC3)ncn2)cn1 426359136 WRMHSGDKHVZZLL-MRXNPFEDSA-N 335.411 3.087 0 50 EFAA C[C@]1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCCC[C@H]1O 178288511 CHLCEGJMZRVUBM-MLGOLLRUSA-N 337.420 2.662 0 50 EFAA O=C1CCC[C@H]1CCn1nnc(-c2ccc(Br)cc2)n1 178475342 UJZLWDIPNIJQPD-JTQLQIEISA-N 335.205 2.862 0 50 EFAA CC(C)N1C[C@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O 20587279 TVQMXOFMISMCFL-CYBMUJFWSA-N 327.384 2.572 0 50 EFAA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccccc2F)CC1 91746296 HDRKLWWABVSBNT-UHFFFAOYSA-N 344.434 2.604 0 50 EFAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCSCC3)CC2=O)cc1 91644745 UEQPIHYJOFXSDQ-OAHLLOKOSA-N 332.469 2.738 0 50 EFAA Cc1n[nH]c(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)n1 97944887 DJKVJBFOJAANCY-UHFFFAOYSA-N 337.427 2.933 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)Cn1sc2ccccc2c1=O 95517044 PTZQXUGEWSCPOX-JTQLQIEISA-N 333.438 2.739 0 50 EFAA O=C(O)[C@H]1Cc2[nH]cnc2CN1Cc1ccc2cccc(Cl)c2n1 97515073 HCSBWVQWNDUDMJ-OAHLLOKOSA-N 342.786 2.623 0 50 EFAA Cc1cc(C)c2c(N[C@@H](CC(C)C)c3ncnn3C)ncnc2n1 95387699 BMDWWJABWFRRHR-ZDUSSCGKSA-N 325.420 2.969 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2noc(CC(C)C)n2)C[C@H]1C(=O)O 91793652 YMPLUZCGZYCWPF-JKSUJKDBSA-N 343.427 2.877 0 50 EFAA Cn1c(Cn2ccnc2)nnc1C1CCN(C2CCCCCC2)CC1 91860801 ILSLHVQOCTYZFM-UHFFFAOYSA-N 342.491 2.962 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1c[nH]c(=O)c2ccccc12 97447027 MKOKUWFCNIAJAX-GOSISDBHSA-N 336.391 2.724 0 50 EFAA Cc1cc(NC(=O)NCCOc2nonc2C)n(C2CCCCC2)n1 96140367 QEDBSVHAMHNVNR-UHFFFAOYSA-N 348.407 2.589 0 50 EFAA CCC1=NO[C@@H](CN(C)Cc2cnn(-c3cccc(OC)c3)c2)C1 244858601 VODLNTRCKIMBCT-GOSISDBHSA-N 328.416 2.868 0 50 EFAA COc1ccc2oc(CNC(=O)c3[nH]nc4c3C[C@@H](C)CC4)nc2c1 244866687 WAQOBLPKIHTMQS-JTQLQIEISA-N 340.383 2.614 0 50 EFAA Cc1ccc(OCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1C 244716159 LJPKIXMVZGQCOP-FTRWYGJKSA-N 340.423 2.706 0 50 EFAA CCOCC(=O)Nc1cc(Cl)ccc1I 297814630 PMVJQLFNPUFLOQ-UHFFFAOYSA-N 339.560 2.920 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)n1 244574807 CRUXMFMSVIVUCA-NSHDSACASA-N 348.476 2.643 0 50 EFAA O=C(CCCn1ccnc1)NC[C@H]1CCN(c2cccc(Cl)c2)C1 240163546 JBVGOUSEIDMZAJ-OAHLLOKOSA-N 346.862 2.959 0 50 EFAA Cc1c(F)cccc1CN1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 244788105 QJKXLSFRIWAHJP-XYJFISCASA-N 348.462 2.623 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 299746280 WHTZAFCGUKYLKO-KRWDZBQOSA-N 348.399 2.810 0 50 EFAA CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)o1 269001556 BPWGNDTUUNVZAO-UHFFFAOYSA-N 335.385 2.540 0 50 EFAA O=C(C1CCC1)N1CCC[C@H](c2ncnn2Cc2ccc(F)cc2)C1 826589591 FCZUOULHUMFVDG-INIZCTEOSA-N 342.418 2.972 0 50 EFAA Cc1nnnn1Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1 822512891 VBEUAZCARWCMQE-LBPRGKRZSA-N 349.394 2.606 0 50 EFAA Cc1nccn1CCN(C)C(=O)/C=C/c1nc2ccccc2s1 827883290 CZKHQHONIKCFHM-BQYQJAHWSA-N 326.425 2.973 0 50 EFAA C[C@@H](NC(=O)C1(Cn2ccnc2)CC1)c1ccccc1-n1cccn1 670452021 IIKYAUNXJMDUMF-OAHLLOKOSA-N 335.411 2.726 0 50 EFAA O=C(O)[C@@]12CCC[C@@](CNCc3c[nH]nc3-c3ccsc3)(C1)OC2 1875298643 IDXLPVWPHYSIBL-IRXDYDNUSA-N 347.440 2.642 0 50 EFAA CN(C[C@@H](O)C1CC1)C(=O)c1ccc2nc(C(F)(F)F)oc2c1 1875279678 IWQFABNSBFRRCU-LLVKDONJSA-N 328.290 2.690 0 50 EFAA C[C@H](O)C(=O)N1C[C@H](c2ccccc2)O[C@@H](c2ccc(F)cc2)C1 1875265538 QQNYDIKBFNYTJL-MORSLUCNSA-N 329.371 2.848 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(=O)N[C@@H]2CC[C@@H]21 1875307638 HDOHBURISPFQNC-WBVHZDCISA-N 336.395 2.552 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 1875373562 GCUWSJFCPMDMDC-OAHLLOKOSA-N 343.471 2.638 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3scnc3C)C[C@@H]2N(C)C)cc1 1565525381 XJFQQHMQTRSSNZ-CVEARBPZSA-N 345.468 2.630 0 50 EFAA Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)nc(C)n1 952868727 SCVYPAIWXPEAME-UHFFFAOYSA-N 347.378 2.993 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)CC3=CSC4=NCCCN34)ccc2O1 952868711 DFBNWZNNPZOIEB-LLVKDONJSA-N 329.425 2.989 0 50 EFAA CC1(C)CCC[C@@H](OC(=O)c2c(C(F)F)nc3cnccn23)C1=O 885503280 OLIXKJNWWZJTRW-SECBINFHSA-N 337.326 2.972 0 50 EFAA CCN1C(=O)C[C@@H](CN=c2cc[nH]cc2Cl)[C@@H]1c1cccnc1 886097361 WQNPYXXKELKVRE-GUYCJALGSA-N 330.819 2.574 0 50 EFAA COc1cc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(F)cn1 888078100 OQWSBTDGXRONMM-BWACUDIHSA-N 334.395 2.771 0 50 EFAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)c1cc[nH]c1C1CC1 1775961046 VDBLOJDZIWVYCG-INIZCTEOSA-N 326.352 2.553 0 50 EFAA Cc1cc(N2CCC(n3cnc4ccccc4c3=O)CC2)nc(C)n1 1336856469 LDWITENIYPCAHB-UHFFFAOYSA-N 335.411 2.645 0 50 EFAA O=C(c1sccc1Cl)N1CCCN(C[C@H]2CCCOC2)CC1 981219334 KKYWNKPYFYWXCJ-CYBMUJFWSA-N 342.892 2.976 0 50 EFAA Cc1cccc(C2(CNS(=O)(=O)Cc3ccno3)CCCC2)c1 1474911409 SSVQTEKWMRCBNM-UHFFFAOYSA-N 334.441 2.914 0 50 EFAA O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCCO[C@@H]1c1ccncc1 275602172 LBFXQXMAEUXYCT-FXAWDEMLSA-N 338.407 2.596 0 50 EFAA O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1 170090761 ATJITBLNYBWMIL-QGZVFWFLSA-N 339.370 2.797 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](N(C)C)[C@H]3C)c12 408517924 PIOULGPKIKLTDK-CJNGLKHVSA-N 329.444 2.660 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3ccc(C)c(C)c3)C2)on1 971070824 JCOKZFCIFAVSIC-QGZVFWFLSA-N 327.428 2.946 0 50 EFAA CCn1nc(-c2nnc(-c3cccc(OC)n3)o2)c2ccccc2c1=O 1328107157 ZTWOJUYSHDTUBZ-UHFFFAOYSA-N 349.350 2.537 0 50 EFAA CC1CCN(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cn2)CC1 171361725 JGCFJRXYICHOEY-UHFFFAOYSA-N 342.487 2.675 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)n1 280956143 MUUJDWYEHNRNKD-OCCSQVGLSA-N 346.456 2.617 0 50 EFAA C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(O)c(Cl)c1 111667255 VNTOKCWDRZQSDE-NSHDSACASA-N 348.786 2.568 0 50 EFAA O=C(Nc1ccc2scnc2c1)N1CCCN(C(=O)C2CC2)CC1 190162560 XRKLLNJTPPIMAM-UHFFFAOYSA-N 344.440 2.773 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 190220344 ADOUKPRAQRRYPA-QMHKHESXSA-N 336.457 2.847 0 50 EFAA Cc1noc(C)c1[C@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 190737199 IOMKJBMSXREYFL-BZNIZROVSA-N 342.395 2.823 0 50 EFAA CCc1cnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1 191091138 OLMLIQWLLNDIFL-UHFFFAOYSA-N 346.455 2.663 0 50 EFAA C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C 193343562 CZWVLVKDIBMRHU-LRDDRELGSA-N 348.397 2.540 0 50 EFAA CC[C@@H](NC(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1cccs1 193471229 IZNKYSHFIJACRN-GFCCVEGCSA-N 344.502 2.808 0 50 EFAA O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1 193480294 LIAAEEZMEZKRIJ-UHFFFAOYSA-N 330.365 2.596 0 50 EFAA O=C(CN1CCO[C@H](CC(F)(F)F)C1)Nc1ccc2c(c1)CCC2 662235225 PLVPXZKOGZXHEF-OAHLLOKOSA-N 342.361 2.767 0 50 EFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(N)s2)c1 1506405648 AWHHFMRGSJUEBZ-CQSZACIVSA-N 331.441 2.855 0 50 EFAA COC(=O)c1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)ccc1Cl 147790180 NOSCXKATCQTXLY-PWSUYJOCSA-N 341.791 2.649 0 50 EFAA COc1cc(F)c(CN2CCC3(CC2)C[C@@](C)(O)CCO3)c(F)c1 1704327145 ADVRHKNXXMLTQL-KRWDZBQOSA-N 341.398 2.869 0 50 EFAA CC[C@@H](C(=O)N1CCCN(Cc2ccc(C)s2)CC1)n1cccn1 1775980620 FMPLJKMICCIRDL-KRWDZBQOSA-N 346.500 2.939 0 50 EFAA c1ccc2sc(N3CCCN(CC[C@H]4COCCO4)CC3)nc2c1 1775980675 GYEVEKRVNLIZBF-HNNXBMFYSA-N 347.484 2.614 0 50 EFAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@@H]1CCOC1)C2 12026801 QUEYEVMQTGTAKL-CVEARBPZSA-N 338.407 2.513 0 50 EFAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@@H]1CCOC1)C2 12026806 QUEYEVMQTGTAKL-HZPDHXFCSA-N 338.407 2.513 0 50 EFAA CCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCCCC2)cc1 12138736 SLDCDSIMQSUVKL-UHFFFAOYSA-N 333.457 2.926 0 50 EFAA COCCNC(=O)[C@@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 12194709 QWRCIFMRIRCSAS-SFHVURJKSA-N 338.407 2.726 0 50 EFAA O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccc(F)cc2)c1 12404398 WHWJRRAGLMNQEA-QGZVFWFLSA-N 342.370 2.987 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccccc2SC)C1 12442006 SJOFYRRVEUXZMJ-CYBMUJFWSA-N 349.452 2.783 0 50 EFAA O=C(c1ccsc1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12591124 QBNNKIGZWKRIHE-HNNXBMFYSA-N 342.468 2.917 0 50 EFAA CN(C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1)C1CCOCC1 15071012 LZMZIHXWZNPRKM-OAHLLOKOSA-N 336.476 2.585 0 50 EFAA COc1ccc(C(C)C)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 618924 CALIFBVFCNLIOG-STQMWFEESA-N 327.446 2.617 0 50 EFAA O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 19607539 VOSYHOZJDBJOCD-SFHVURJKSA-N 346.858 2.902 0 50 EFAA Brc1ccccc1CN1CCC(N2CCOCC2)CC1 19885746 CGNISXONYMDEMH-UHFFFAOYSA-N 339.277 2.746 0 50 EFAA O=c1/c(=C/c2ccc(O)c(Cl)c2)sc2nc3ccccc3n12 378476 CUWLJYMJFWMFBS-ZSOIEALJSA-N 328.780 2.816 0 50 EFAA Cc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 379193 BGHUMXSJZMMECU-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA O=C(N1CCCC1)C12CC3CC(C1)CC(C(=O)N1CCCC1)(C3)C2 5101397 SJQWBEGMPWXTJJ-UHFFFAOYSA-N 330.472 2.818 0 50 EFAA O=C(NCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 5102180 ZDNYSFDLKYMELN-FOWTUZBSSA-N 336.347 2.960 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(OC)cc1C 6702116 AJYCUDHTUNAMDI-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA CCSCC(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857672180 ARIHXMZRSZZFIR-HDMKZQKVSA-N 333.453 2.817 0 50 EFAA COc1ccc(CC(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cc1F 1857679782 VEMMNTQBCSFHJQ-UHFFFAOYSA-N 343.402 2.605 0 50 EFAA CCCCc1ccc(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1 1857682178 FUSLINKDYZQKSZ-KRWDZBQOSA-N 345.439 2.983 0 50 EFAA O=C1C[C@@H](c2ccc(-c3ccc(C4(O)CCNCC4)cc3)cc2)CN1 1857721625 YRBCLESSWDNQBE-GOSISDBHSA-N 336.435 2.528 0 50 EFAA Cn1c(CN2CC(CO)(c3ccccc3)C2)nc2ccc(Cl)cc21 414556347 YILBXENCJQNFTQ-UHFFFAOYSA-N 341.842 2.973 0 50 EFAA O=C(CN1CCCC1=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 126821428 OGEQJGMZXRQZOH-GOSISDBHSA-N 343.814 2.563 0 50 EFAA O=C(O)CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 238161849 DEHLEAABXWZEMO-UHFFFAOYSA-N 330.350 2.688 0 50 EFAA O=C(O)c1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)s1 262579892 FISKDHGLAXYULF-UHFFFAOYSA-N 333.365 2.538 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)C[C@H](c2ccccc2)O1 263348582 OTFUYYOFZRPQAV-KBXCAEBGSA-N 339.391 2.916 0 50 EFAA Cc1ccc2sc(C(=O)N3CCC4(CC3)COC(=O)N4)cc2c1 497256006 BIPGENCOGGLQNZ-UHFFFAOYSA-N 330.409 2.924 0 50 EFAA C[C@H]1C[C@H](CS(=O)(=O)N2CC=C(c3ccccc3F)C2)CCO1 2325776279 KNTARPAREUVMHT-UONOGXRCSA-N 339.432 2.670 0 50 EFAA Fc1ccc([C@H]2CNCCN2Cc2ccc(-n3cccn3)nc2)cc1 2325812547 WNPIWAJCJTYLNC-GOSISDBHSA-N 337.402 2.553 0 50 EFAA O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc2n[nH]cc2n1 2325872129 JSCKOWBXMVNFTM-UHFFFAOYSA-N 332.323 2.793 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NC1C[C@@H]3CCC[C@H](C1)N3C)CC2 245304945 HGPQOGPKFNPFEW-VHTWMCFQSA-N 348.535 2.658 0 50 EFAA Cc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 389221 BDDOICTYOWZHDK-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CN1Cc2cc(-c3cnc4c(N5CCCC5)nccn34)ccc2C1=O 2356139275 ORQFOWUCMOROJM-UHFFFAOYSA-N 333.395 2.582 0 50 EFAA COc1c(C)cc(Nc2nc(C)cc(N3CCNCC3)n2)cc1C 2356158606 QTMXLFRNTUFYMV-UHFFFAOYSA-N 327.432 2.564 0 50 EFAA Cc1cc(Nc2ccc(CCO)cc2)n2nc(C(F)(F)F)nc2n1 2356168412 CCLHCABMUUMHFM-UHFFFAOYSA-N 337.305 2.730 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c(C)c1 2830749 BRUKIOXBWALXCN-UHFFFAOYSA-N 347.436 2.887 0 50 EFAA C[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(CC(N)=O)cc2)C1 222151110 YAJVNMWNQGZWEM-HFTRVMKXSA-N 344.455 2.520 0 50 EFAA O=C(Cn1c(-c2ccccc2F)nc2ccccc21)N1CCOCC1 8787461 BYRLFDVYSYMESN-UHFFFAOYSA-N 339.370 2.701 0 50 EFAA COc1ccccc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 9887785 SGERIEMRECXZKH-UHFFFAOYSA-N 331.368 2.651 0 50 EFAA Cc1oc(-c2ccsc2)nc1CN1CCN(c2cnccn2)CC1 55270942 CLJMDZXEKFDEKS-UHFFFAOYSA-N 341.440 2.824 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1 101533000 FHDWFKMNQCORDY-KBPBESRZSA-N 332.787 2.620 0 50 EFAA CCOC(=O)N1CCN(Cc2nc(-c3ccc(C)o3)oc2C)CC1 20997982 KUEUCTDCDGFXHP-UHFFFAOYSA-N 333.388 2.826 0 50 EFAA c1coc(-c2noc(CNCc3ccccc3Cn3cccn3)n2)c1 65425492 JOCYGCNRFVRXFV-UHFFFAOYSA-N 335.367 2.864 0 50 EFAA CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)c(C)c1 67758656 JIJUSMTUFKSIQG-INIZCTEOSA-N 331.460 2.661 0 50 EFAA CCOc1cccc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)c1 65526793 ANWBOZPYFJGGRN-ZDUSSCGKSA-N 331.441 2.760 0 50 EFAA CS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 20781431 IFVIBRJNSDASDH-NSHDSACASA-N 335.347 2.560 0 50 EFAA O=C(c1cc2n(n1)CCN(c1ccc3ccccc3n1)C2)N1CCCC1 67910024 JQEXWJDYSXMGQP-UHFFFAOYSA-N 347.422 2.688 0 50 EFAA O=C(Nc1nccs1)c1ccc(Oc2ccc3nncn3n2)cc1 61721182 RAPVNBIYOMEMET-UHFFFAOYSA-N 338.352 2.625 0 50 EFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3sccc3[C@H]2C)C1 252457280 UIGBDGXFYVNVSY-FRRDWIJNSA-N 328.503 2.890 0 50 EFAA CC(=O)c1ccc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)cc1 72447855 QAIICXYHIKSNQO-UHFFFAOYSA-N 349.438 2.875 0 50 EFAA COc1ccc(CNC(=O)N2CCO[C@@H](c3ccco3)C2)cc1F 119356186 QQMQXMRNLRFYKI-MRXNPFEDSA-N 334.347 2.710 0 50 EFAA Cc1cccc(SC2CCN(C(=O)[C@H]3CCCN3C(N)=O)CC2)c1 77376414 ULFUSJCEGQJSAV-MRXNPFEDSA-N 347.484 2.621 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2nc(O)c3ccccc3n2)cn1 425256023 OCGAJSHRVMTFFD-JKSUJKDBSA-N 339.399 2.884 0 50 EFAA Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)on1 253420246 VGNQJYIOVZGNFU-OAHLLOKOSA-N 330.775 2.889 0 50 EFAA CC(C)CN1CCN(Cc2ccccc2OC(F)F)[C@@H](C)C1=O 77406387 OSWOUEMKVPXTRR-ZDUSSCGKSA-N 326.387 2.977 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)c1cccc(OCC(F)(F)F)n1 153647617 PAKPRKAXESAUKW-UHFFFAOYSA-N 337.261 2.546 0 50 EFAA Cc1noc([C@H](C)N(C)Cc2ccc(OCCn3ccnc3)cc2)n1 215047616 JXOOYPZTLJXNNA-AWEZNQCLSA-N 341.415 2.847 0 50 EFAA COc1ccc(OC)c(Cc2nn3c(CC(C)C)nnc3s2)c1 71767788 WKTDIMYGRLQILD-UHFFFAOYSA-N 332.429 2.992 0 50 EFAA CCCc1nc(NCc2cn3cc(C)ccc3n2)c2cnn(C)c2n1 72409622 FQMAPSXTWGAYHW-UHFFFAOYSA-N 335.415 2.884 0 50 EFAA CC(C)(C)OC(=O)N1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C1 170631580 PACARCJJPSYEGE-UHFFFAOYSA-N 334.460 2.938 0 50 EFAA COc1cccc(CNC(=O)c2ccn(-c3ccccc3)n2)c1OC 170613446 ZQBMYWFRSPLOKN-UHFFFAOYSA-N 337.379 2.820 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2ccnc2)cc1 38853802 UEBFIWNWGOYWDR-UHFFFAOYSA-N 335.363 2.955 0 50 EFAA Cn1nccc1C1=CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 367633617 ISNSDYHKUJSBNJ-SFHVURJKSA-N 337.423 2.854 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@H](c2ccco2)C1 370033719 SEMMIYWYOCJECL-INIZCTEOSA-N 327.315 2.576 0 50 EFAA CCCn1ncc(CN2CC[C@]3(CCCN(CCOC)C3)C2)c1C 14972344 OHQXGASKDZNTRA-IBGZPJMESA-N 334.508 2.536 0 50 EFAA CNc1nc(C(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)cs1 72453882 FVVGXRXWACBMBZ-LBPRGKRZSA-N 346.456 2.544 0 50 EFAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC(C)C)c2)c1 71552205 GUOYKIJVUWASBY-UHFFFAOYSA-N 349.408 2.747 0 50 EFAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)nn1 72441389 SYHZHEFMXKAATG-UHFFFAOYSA-N 348.362 2.929 0 50 EFAA C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[C@@H]1O 241588220 PAXOZKRRVZBWSD-HZMBPMFUSA-N 332.213 2.670 0 50 EFAA Cc1cc(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)no1 241587936 OYGRUHOUPFIUDO-MJGOQNOKSA-N 346.402 2.555 0 50 EFAA O=C1COc2cc(NC(=O)c3ccco3)c(Br)cc2N1 175684736 AHEAANKVVYIWQC-UHFFFAOYSA-N 337.129 2.625 0 50 EFAA CC(C)n1cnc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c1 281156155 BCMFWMKEUNDDJA-UHFFFAOYSA-N 345.428 2.634 0 50 EFAA COc1cccc(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1 171825131 MEHNLHKCJUDUBL-HNNXBMFYSA-N 340.427 2.644 0 50 EFAA CCc1nc(NS(=O)(=O)c2cn(CC(C)C)cn2)sc1C 174978172 UAVVUVJGDDFJNV-UHFFFAOYSA-N 328.463 2.667 0 50 EFAA COc1cc(C)sc1C(=O)NCc1ccnc(-n2ccnc2)c1 172115753 ZWEGELFNZQQUPW-UHFFFAOYSA-N 328.397 2.576 0 50 EFAA COc1cc(CCNC(=O)N2CCC[C@H]2CN2CCCC2)ccc1C 172661228 ZKXMNXUCPPBEDA-SFHVURJKSA-N 345.487 2.816 0 50 EFAA CN(C)c1ccc(CC(=O)N2CCCC[C@@H]2CCn2cccn2)cc1 82115366 UJPPHTCCJKLCDG-LJQANCHMSA-N 340.471 2.963 0 50 EFAA CC1(C)CN(Cc2ccc(CO)o2)C[C@@H](COc2ccccc2)O1 284684702 ZVMLGOMEESEMKP-SFHVURJKSA-N 331.412 2.830 0 50 EFAA Cc1cn2cc(C(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)ccc2n1 82107791 GPCSMAYCOAOVAV-UHFFFAOYSA-N 337.358 2.930 0 50 EFAA CCc1ccc(C(C)(C)C(=O)N2CCC(n3cncn3)CC2)cc1 175963555 IWMUQXDVBZUFER-UHFFFAOYSA-N 326.444 2.982 0 50 EFAA CN1CCC(n2nc(-c3cccnc3)nc2Cc2cccnc2)CC1 95388143 YGWNHAXDWGXVIL-UHFFFAOYSA-N 334.427 2.593 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCCCc1c(C)n[nH]c1C)N(C)C 95392741 AWPMJCWMLPEOAP-GOSISDBHSA-N 328.460 2.687 0 50 EFAA CC(C)(C)N1C[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CC1=O 96166405 ONMATXWLTURHQB-NSHDSACASA-N 325.372 2.727 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95352505 CQZHLNGPPZWVOA-INIZCTEOSA-N 344.434 2.604 0 50 EFAA CSc1cccc(NC(=O)NCC2(CN3CCN(C)CC3)CC2)c1 96135996 BESJJQDDQBEXTL-UHFFFAOYSA-N 348.516 2.558 0 50 EFAA O=C([C@@H]1CC=CC[C@@H]1c1nc([C@@H]2CCCS2)no1)N1CCOCC1 289139403 SHGJUWSBJXWDLH-MJBXVCDLSA-N 349.456 2.546 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3cc(C(C)C)no3)CC2)nc1 97797406 CEPKVSIVZLJRGI-UHFFFAOYSA-N 329.400 2.625 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@H](N(C)C)[C@H](CCCO)C2)cc1C 91270490 PCYNAIHEOAYKGW-UXHICEINSA-N 346.515 2.787 0 50 EFAA CCCN1CCC[C@]2(CCN(Cc3nc(-c4ccco4)no3)C2)C1=O 91433980 JOKODQHLAIIJDE-GOSISDBHSA-N 344.415 2.554 0 50 EFAA CC(C)c1nc(C(=O)NCc2ncn(-c3ccccc3)n2)cs1 294066928 GWSJILNPGSHIIM-UHFFFAOYSA-N 327.413 2.777 0 50 EFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccc(O)c1 252552067 UNEZLFDXTNMXBM-WDYCEAGBSA-N 339.391 2.569 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCC[C@H]2CCCC[C@H]21 299743906 PYLUTHKXMBPKMD-WKULXVSPSA-N 348.487 2.885 0 50 EFAA COCC[C@H]1CCCCN1C(=O)c1ccc(C)cc1OCCCN 299785701 NJLTWLVNVDTQJA-MRXNPFEDSA-N 334.460 2.754 0 50 EFAA CCN(CCOC)C(=O)c1ccc(-c2c(C)ncnc2OC)cc1 584884058 GDEBXPTYMXAOAI-UHFFFAOYSA-N 329.400 2.569 0 50 EFAA COc1cccc([C@H](C)CC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 267799051 JHDGOMACVNXKOA-CFSSXQINSA-N 325.408 2.963 0 50 EFAA CC(C)(C)[S@](C)(=O)=NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 685945027 OZSDAZVIAZFZBB-XCMOZONUSA-N 337.441 2.984 0 50 EFAA COc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(-n2cnnn2)c1 952985611 CLQZQMHRLBFIOU-ZDUSSCGKSA-N 337.383 2.803 0 50 EFAA CON(C)S(=O)(=O)c1c(Cl)ccc2nc(C(C)(C)C)oc12 95830677 ALPWDUCGTAPWMC-UHFFFAOYSA-N 332.809 2.961 0 50 EFAA in-vitro Cc1c(CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)oc2ccccc12 185662545 XDXZJBLMAWSLIW-AWEZNQCLSA-N 347.436 2.572 0 50 EFAA Cc1nc([C@H]2CCCCN2Cc2cc(-c3cnn(C)c3C)no2)n[nH]1 408473325 NFACFZDLLYJLOA-MRXNPFEDSA-N 341.419 2.537 0 50 EFAA CCCc1cc(C(=O)N2CCOC[C@H]2c2nnc(C)o2)sc1C 275281311 FWWNWULQWWAIQI-ZDUSSCGKSA-N 335.429 2.914 0 50 EFAA COc1cc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)ccc1F 187137843 VNUFAFAAVPSSOF-ZDUSSCGKSA-N 330.363 2.630 0 50 EFAA Cn1ccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1=O 640209109 AGKKOVFGVPXNGB-RHSMWYFYSA-N 341.411 2.675 0 50 EFAA O=C(c1ccc(NCC[C@H]2CCCO2)cc1Cl)N1CCOCC1 189619794 BMWKYOUMSBNQIG-CQSZACIVSA-N 338.835 2.793 0 50 EFAA COCc1csc(C(=O)N[C@H](C(=O)O)c2ccc(F)c(C)c2)c1 659157548 RJELQBUDLZMKRW-AWEZNQCLSA-N 337.372 2.898 0 50 EFAA CSC1(CNC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CCC1 195051839 XADVKEJHOZAYSN-CYBMUJFWSA-N 345.472 2.913 0 50 EFAA CC(C)Cc1cc(C(=O)N(Cc2cccc(O)c2)C2CC2)nc(N)n1 1506430717 BQCIDDSNTYCWHH-UHFFFAOYSA-N 340.427 2.768 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2cc(O)ncn2)c1C 1506431569 PKMZPDKBXQVNEQ-UHFFFAOYSA-N 349.456 2.575 0 50 EFAA c1ccc(SCc2nc(C3CCOCC3)nn2[C@H]2CCOC2)nc1 1772819150 GAFYORSRGCOFJL-AWEZNQCLSA-N 346.456 2.821 0 50 EFAA COc1ccnc(C(=O)N2CCCN(C[C@@H]3CC=CCC3)CC2)c1 1775984089 HJTYQKADWHRCLM-MRXNPFEDSA-N 329.444 2.594 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCCCCC1 12057023 OEHNRRMAJNNSOF-LJQANCHMSA-N 334.435 2.555 0 50 EFAA CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O 13679877 MHVQJKFWLHCMTM-UHFFFAOYSA-N 336.388 2.864 0 50 EFAA O=C(Nc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 17586149 BLJDHTYJMXIGOR-CQSZACIVSA-N 327.359 2.712 0 50 EFAA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(O)cc1)C2=O 19320093 LKQCGDLDRHSPAX-UHFFFAOYSA-N 328.456 2.890 0 50 EFAA biogenic CCOc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1OC 19532069 HQUUTDKEZWYKGV-UHFFFAOYSA-N 341.455 2.807 0 50 EFAA COCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 2820143 IBEQYDLDSCPLDS-FOWTUZBSSA-N 344.436 2.590 0 50 EFAA Cc1c(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)nc2ccccn12 1857711366 VVCHDLBMAIEZSP-HNNXBMFYSA-N 348.406 2.773 0 50 EFAA CC(=O)c1ccnc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1 1857720636 COOFVOPXNPHESW-YLJYHZDGSA-N 347.418 2.872 0 50 EFAA C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCC[C@H](O)C1 303984589 HPSZJOIXCIFFDC-HOCLYGCPSA-N 340.423 2.828 0 50 EFAA CCc1cc(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)n(C)n1 635575224 QLIYSYCOTHUYMT-HNNXBMFYSA-N 340.471 2.938 0 50 EFAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237677569 MPGFDKHQVURPKN-SJORKVTESA-N 331.412 2.581 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)no1 241739140 RAIWQEYUMFAQFI-AWEZNQCLSA-N 333.432 2.852 0 50 EFAA Cc1cc(=N[C@@H]2CCO[C@H]2c2cnn(C)c2)c2cc(F)ccc2[nH]1 819951922 GCDLYJLOVWPQID-AEFFLSMTSA-N 326.375 2.780 0 50 EFAA O=C(N[C@H]1CCn2cncc2C1)c1csc(NC2CCCCC2)n1 824046091 IGARRXDUMPVRCD-ZDUSSCGKSA-N 345.472 2.829 0 50 EFAA O=C(Cc1ccc2c(c1)CCCO2)NCc1ccc(-c2nnco2)cc1 1156799880 HGBYRUWSBPBUTC-UHFFFAOYSA-N 349.390 2.921 0 50 EFAA Cn1cnc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 1159068107 RDRXNKYVISILNM-UHFFFAOYSA-N 343.390 2.960 0 50 EFAA COC(=O)CC1CC(n2nnnc2N2CCC[C@@H]2c2ccsc2)C1 952878511 FTRDWJKZLUUFLU-UXUKBGGZSA-N 347.444 2.590 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1F 1875307167 VSIKDXBHSLNINF-NHYWBVRUSA-N 325.355 2.728 0 50 EFAA CN[C@@H](CO)c1cccc(-c2ccc(Cn3ccccc3=O)cc2)c1 1875310000 XZNIQXOJQTZZHX-FQEVSTJZSA-N 334.419 2.816 0 50 EFAA CC(C)[C@@H]1CNC[C@H]1C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1 1875301831 SBFDXQQQDORTQY-DOPJRALCSA-N 334.435 2.729 0 50 EFAA Cn1ncc2c(N3CCC[C@@]4(C=Cc5ccccc5O4)C3)ncnc21 896885855 MACDVPQOCZTAPS-LJQANCHMSA-N 333.395 2.808 0 50 EFAA N[C@@H](CCNC(=O)NC1C[C@@H]2CC[C@H](C1)S2)Cc1ccccc1 2325766318 ZDURIITVYNIKRX-XYTVBORESA-N 333.501 2.672 0 50 EFAA Oc1nc(N2CCC[C@@H]2c2cc(F)cc(F)c2F)nc2n[nH]cc12 2325780918 XWDXSEXTAZWSTN-LLVKDONJSA-N 335.289 2.817 0 50 EFAA O=C1CCC[C@H]2CN(C(=O)c3c(Cl)oc4ccccc34)C[C@@H]2N1 2325782564 IABWMAFCPGXFJE-JQWIXIFHSA-N 332.787 2.827 0 50 EFAA O=C([C@@H]1CCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC2(CC2)C1 2325797128 OKJMRRDMZSHTEW-NCOADZHNSA-N 342.483 2.959 0 50 EFAA OCc1cc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)no1 2325803827 FGUZXEHHNFTOQB-UHFFFAOYSA-N 342.226 2.796 0 50 EFAA COc1cc(F)c([C@H](C)NC2=NC[C@@H]3CC[C@@H](C)CN23)cc1OC 2325864597 SWPCEXWPTVTHNC-AGIUHOORSA-N 335.423 2.964 0 50 EFAA COc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 310742 NAPJAWPOXOSMFD-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA COc1cccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 1137568 LPMCSXOIIDWYCN-INIZCTEOSA-N 343.404 2.653 0 50 EFAA COc1ccc(-c2onc(N3CCC[C@H](N(C)C)C3)c2C(=O)O)cc1 2356147110 IGCDBIIZORDXLI-ZDUSSCGKSA-N 345.399 2.579 0 50 EFAA Cn1nc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2n1 2356150271 UOPROJOHYVIUHA-NYYJTOMGSA-N 340.427 2.628 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)c2ccc(-c3cnco3)cc2)C1=O 2356154594 BHZJPNGMEDWVGR-LJQANCHMSA-N 339.395 2.569 0 50 EFAA CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2OC)n1 10337520 XKCJBVMIRWUKFS-UHFFFAOYSA-N 337.383 2.550 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N(C)Cc2cnn(CC)c2)cc1 55182763 UHQQIVJSCNWENK-UHFFFAOYSA-N 329.400 2.533 0 50 EFAA O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cccc2c1OCO2 120842047 KBKKGFOIDNSNHO-ZDUSSCGKSA-N 342.370 2.953 0 50 EFAA CC(=O)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100566428 GMDNIXHZOYNMAW-OAHLLOKOSA-N 346.770 2.614 0 50 EFAA COc1ccc(-c2nc(CN3C[C@@H](C)NC[C@@H]3C)c(C)o2)cc1OC 67820545 OARFBLJEDLPIFR-OLZOCXBDSA-N 345.443 2.849 0 50 EFAA C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H]2[C@@H](CCCN2C)C1 248128415 OFHVCLIYFSVRHZ-HHXXYDBFSA-N 347.478 2.589 0 50 EFAA CCCCNC(=O)CN(C)c1nc(C)c2cc3c(cc2n1)CCC3 67696110 PNXZWBLETDBMMA-UHFFFAOYSA-N 326.444 2.779 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(N(C)Cc3cc(C4CC4)n[nH]3)c12 67855862 YMPILAXYOBQYRQ-UHFFFAOYSA-N 343.412 2.935 0 50 EFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccncc3)[nH]c2C1 65419260 ZRBPYKRRDNLWJP-ZDUSSCGKSA-N 334.379 2.550 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3ncoc3-c3ccc(F)cc3)C2)n1 347378498 MEDPVMPDBKZVBE-GFCCVEGCSA-N 342.330 2.802 0 50 EFAA C[C@H](NC(=O)NCc1cccc(OC(C)(C)C)n1)c1cnn(C)c1 347769297 IDSLFEHJWKGARS-LBPRGKRZSA-N 331.420 2.553 0 50 EFAA O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 25759599 BSBSFRXQSPMODA-UHFFFAOYSA-N 336.340 2.601 0 50 EFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCS(=O)(=O)CC1 67675434 LSPASDKNSZPJEZ-UHFFFAOYSA-N 340.832 2.534 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c[nH]c(=O)cc3C)nc2c1 126341792 PWMCLAVWJBULGM-INIZCTEOSA-N 336.395 2.845 0 50 EFAA O=C1C[C@H](c2cnc3ccccc3n2)c2c(-c3cccnc3)n[nH]c2N1 65406711 FIVRNDNXIDPLIE-GFCCVEGCSA-N 342.362 2.889 0 50 EFAA COc1cccc(CNC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 284500415 KJQLDNKEDSCFMP-QFBILLFUSA-N 328.460 2.601 0 50 EFAA O=C(Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1)NC1CC1 38715804 XPGGZYVVZYLUBZ-UHFFFAOYSA-N 346.390 2.703 0 50 EFAA CC(C)CCn1ncc(NC(=O)N2CC(=O)N(C3CC3)C2)c1C(C)C 333354993 WNCHTAYQFYVSNM-UHFFFAOYSA-N 347.463 2.849 0 50 EFAA Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)ccc1C(=O)N(C)C 237071639 UWLQVMPWAJHGKW-COXVUDFISA-N 329.444 2.556 0 50 EFAA CC[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1OCC(=O)N1CCCC1 252477233 KKYHLOYCDSPMCL-RYQLBKOJSA-N 346.471 2.906 0 50 EFAA CC(C)OCC(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 72410153 QPJTTXZAGVIEMZ-ZDUSSCGKSA-N 333.457 2.806 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)c1C 237511196 UTZHURNPLRIEKB-GOEBONIOSA-N 326.444 2.689 0 50 EFAA CCc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 71745842 FPRZMCGYLXVXHW-SFHVURJKSA-N 339.439 2.903 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@@H](COc2ccc(F)cc2)C1 72439744 LSWHCZZBHCRTRR-CYBMUJFWSA-N 348.374 2.770 0 50 EFAA OCC[C@@H]1CN(c2ncccc2Cl)CCN1Cc1cccs1 72457929 XZGGEWWDVDFUME-CYBMUJFWSA-N 337.876 2.870 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 356340037 MCANPCPABGMMFF-CQSZACIVSA-N 333.354 2.527 0 50 EFAA CCOc1cc(C(=O)N2CCC3(CCNCC3)CC2)ccc1OC 241316840 LVIRLEHRPNLDST-UHFFFAOYSA-N 332.444 2.700 0 50 EFAA CCOc1nc(C)ccc1C(=O)Nc1cccc2c1OCC[C@@H]2O 241401146 NBLKNTUKDBZKSS-HNNXBMFYSA-N 328.368 2.857 0 50 EFAA CN(C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1 241719808 QPUAENQZACQMPY-HNNXBMFYSA-N 333.407 2.763 0 50 EFAA CC(=O)c1ccc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 253427935 BJFGELKQTSKKFC-INIZCTEOSA-N 327.359 2.636 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc2c(c1)OCO2 77485573 YJXUTBGUBGHNJL-HNNXBMFYSA-N 347.411 2.682 0 50 EFAA CCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 77322526 JHZBJVUSNDOUHG-OAHLLOKOSA-N 349.479 2.527 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@H](C)n3cccn3)CC2)cc1 77406538 YBPOUYVSJNLQMP-AWEZNQCLSA-N 329.400 2.523 0 50 EFAA CC(=O)N1C[C@H](C)CN(Cc2cn3cccnc3n2)c2ccccc21 363313149 DRGMABXRTDQRQU-CQSZACIVSA-N 335.411 2.739 0 50 EFAA CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 154987555 CXUBTDIIEMQWFF-OAHLLOKOSA-N 338.407 2.514 0 50 EFAA NCCc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1 72468245 IEXXBUMSYWKEBQ-UHFFFAOYSA-N 330.863 2.558 0 50 EFAA O=S(=O)(CC1CCCC1)N1CCNC[C@H]1c1ccccc1Cl 261737443 UCWZWRLDZATOSV-INIZCTEOSA-N 342.892 2.806 0 50 EFAA O=S(=O)(N[C@H]1CC[C@H]1NC1CCCC1)c1ccc(Cl)s1 72418731 VGYWDSADNNQELB-MNOVXSKESA-N 334.894 2.743 0 50 EFAA O[C@]1(c2ccc(F)cc2)CCN(Cc2c[nH]nc2-c2cccnc2)C1 378513980 AQMKOXMVEJNUOI-LJQANCHMSA-N 338.386 2.704 0 50 EFAA CN1CC2(CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)OC1=O 216311458 NXYNRLRCDGLCFT-HNNXBMFYSA-N 334.416 2.938 0 50 EFAA CCOC[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 175962307 PFPJZFFLAHRRDK-MOPGFXCFSA-N 345.487 2.719 0 50 EFAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCn2cncc2C1 72156487 NBUDNBRNWDYLBW-OAHLLOKOSA-N 339.317 2.546 0 50 EFAA Cc1nscc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 179686297 QWCVXXHZNLJXAX-MRXNPFEDSA-N 329.469 2.746 0 50 EFAA Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 177931948 XYNZTSKVEKIRBX-AEFFLSMTSA-N 341.411 2.736 0 50 EFAA O=C(Cc1ccc(-c2ccccc2)cc1)NCCN1CCCOC1=O 223281939 NOZRZPHXTWWVBV-UHFFFAOYSA-N 338.407 2.855 0 50 EFAA CNC[C@H]1CCN(C(=O)c2sc(C)c(Br)c2OC)C1 179028997 ASXCVJDDYXYHQB-SECBINFHSA-N 347.278 2.509 0 50 EFAA CCc1ccccc1OCCN(CC)C(=O)NCc1cnc(C)cn1 426503238 HEVIHYLFSKJYNE-UHFFFAOYSA-N 342.443 2.958 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]21 142380288 GXIZSOVZVRKXEC-LSDHHAIUSA-N 332.400 2.874 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCc2nn(CC)c3ccccc23)C1 95377793 VWCUBGSMNOEDJW-IBGZPJMESA-N 328.460 2.794 0 50 EFAA Cc1cccc2nc(C3CCN(C(=O)NCc4ccon4)CC3)[nH]c12 426624865 UFJUCKBFMJWZBD-UHFFFAOYSA-N 339.399 2.949 0 50 EFAA O=C(NCC[C@H]1CCCCO1)NCc1ccccc1-n1ccnc1 181066715 YICFNDRXUSUSBO-MRXNPFEDSA-N 328.416 2.631 0 50 EFAA O=C(Cn1ncc2ccccc21)N1CC[C@H](Cc2ccc(CO)cc2)C1 91807985 NMMSTWOWRZDDAS-GOSISDBHSA-N 349.434 2.620 0 50 EFAA COCCn1cncc1CNC(=O)N1CCCCC[C@H]1c1ccco1 426544938 GBXPILKLEGDQKC-INIZCTEOSA-N 346.431 2.949 0 50 EFAA CCC[C@@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 91596156 BZMKYLJTSUZYRT-OAHLLOKOSA-N 332.492 2.941 0 50 EFAA CN(CCCc1nccn1C)C(=O)c1ccc2cccc(F)c2n1 91636092 HFBQXZCNKRGNKL-UHFFFAOYSA-N 326.375 2.812 0 50 EFAA O=C(CCCc1ccccc1)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91350810 GETCTLXMUXTOLV-UXHICEINSA-N 344.499 2.562 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C(=O)O)C3)c2C(C)C)cc1 236867878 LETHQUWHGQZPBC-CQSZACIVSA-N 341.411 2.851 0 50 EFAA Cc1cc(N2CCC(N[C@H](C)Cc3ccsc3)CC2)nc(N)n1 95379019 YKTXUGGZAKJZMN-GFCCVEGCSA-N 331.489 2.618 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)C3(C)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95355721 JJVGEAGCNGXBGQ-IPMKNSEASA-N 340.467 2.884 0 50 EFAA N[C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 333288325 NYQOWKDRXNBBCN-TZMCWYRMSA-N 342.892 2.689 0 50 EFAA CCc1nc2ccc(NC(=O)N(C)CCn3ccnc3C)cc2[nH]1 97360151 TZBGAWSBTISPCI-UHFFFAOYSA-N 326.404 2.794 0 50 EFAA Cc1cc(C)nc(N2CCC(NCCCc3c(C)n[nH]c3C)CC2)n1 95356648 RALSKMJMRFQIQL-UHFFFAOYSA-N 342.491 2.625 0 50 EFAA CCCc1nnc(N2CCC[C@H](c3nccn3CCN(C)C)C2)s1 95525496 ZQCICGALSLTJFB-AWEZNQCLSA-N 348.520 2.633 0 50 EFAA CCn1nc(C)c(NC(=O)CN2CCCC[C@H]2c2cc(C)on2)c1C 244659674 HGZITUAYKDRIRT-INIZCTEOSA-N 345.447 2.982 0 50 EFAA CCN1CCCC[C@H]1CNC(=O)COc1ccc(F)c(Cl)c1 244742184 ODDKEMWZGNKTRP-LBPRGKRZSA-N 328.815 2.849 0 50 EFAA O=C(NCc1csc2c1CCCC2)N(CCO)Cc1ccco1 534639415 KFMDGWQUSTYMLW-UHFFFAOYSA-N 334.441 2.924 0 50 EFAA Cc1cccc2c1c(-c1ccc(C(=O)N3CC[C@@H](O)C3)cc1)nn2C 534662138 BNLHUXFEKMAXCA-MRXNPFEDSA-N 335.407 2.756 0 50 EFAA CCOc1ccc([C@@H](CC)NC(=O)NC2(C(N)=O)CCCC2)cc1 534639488 UBTOTRIKNJICSG-OAHLLOKOSA-N 333.432 2.634 0 50 EFAA C[C@@H](NC(=O)NCC1(O)CCCCC1)c1nc2ccccc2n1C 534649241 OAYWKOXSVNSBAP-CYBMUJFWSA-N 330.432 2.629 0 50 EFAA CCN(CCOC)C(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 534588823 JUWSHIZUCHMOLC-UHFFFAOYSA-N 338.411 2.921 0 50 EFAA NCc1cccc(NC(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 299785249 YKHFHMBTEOKMPM-INIZCTEOSA-N 344.484 2.993 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1 299772742 ATWUNIZCEYRKHI-CYBMUJFWSA-N 338.411 2.980 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(Cl)cn1C 299787435 LTPYMJDNYDVTHN-MRXNPFEDSA-N 331.847 2.807 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C)c2cccc(C)n2)c(OCCCN)c1 299799308 FMKPJTOQQCIKPX-HNNXBMFYSA-N 327.428 2.917 0 50 EFAA CC1(C)CNC(=O)[C@H]1Nc1nc(-c2ccccn2)nc2sccc12 865948574 PTRPJMMIOPOJRS-GFCCVEGCSA-N 339.424 2.690 0 50 EFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1cncc(F)c1 670451567 YUWGVRNMFIYTEO-KRWDZBQOSA-N 328.391 2.573 0 50 EFAA CO[C@@H]1C[C@H](CN[C@H](C)c2cc(C)c(C)o2)N(c2ccncn2)C1 952887217 KWCXIDJKVGJQRV-FVQBIDKESA-N 330.432 2.631 0 50 EFAA CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(OC)ns1 1875288608 OXWUHGMSEHRZDV-UHFFFAOYSA-N 330.406 2.502 0 50 EFAA COc1ccc2cc(C(=O)N(C3CC3)[C@H]3CCCNC3)n(C)c2c1 1875277855 KBASVYNIDZLDMD-HNNXBMFYSA-N 327.428 2.544 0 50 EFAA CC(C)CN(C)C(=O)N[C@H]1CCCN(c2ccc(C(=O)O)cc2)C1 1875259336 RNMXBJMPIPGTCE-HNNXBMFYSA-N 333.432 2.651 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CC(=O)Nc3ccccc32)[nH]1 1875265502 JRGPVRUPBMWARL-AWEZNQCLSA-N 345.406 2.807 0 50 EFAA CN(C(=O)[C@@H]1CC(=O)Nc2ncccc21)c1ccc2ccccc2n1 1875345388 YVTXSZDIKYAZDL-CQSZACIVSA-N 332.363 2.719 0 50 EFAA O=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565527870 BFQSJUCGBYZEAW-IRXDYDNUSA-N 346.452 2.566 0 50 EFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565526126 YYKHFISYHXGMPR-APWZRJJASA-N 347.462 2.785 0 50 EFAA CCNC(=O)c1ccc(NC(=O)CCn2nccc2C)cc1Cl 952984910 CLEOAIRUJQCJFR-UHFFFAOYSA-N 334.807 2.623 0 50 EFAA CC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccc2nc[nH]c2c1 952869886 OEZQQESLWCEQBP-INIZCTEOSA-N 330.413 2.730 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCc2c1cnn2C 886080454 SPACLLNHQWBODF-ZSZQSSIHSA-N 343.475 2.771 0 50 EFAA COC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCOC1 894852802 QGFIJBPHGYPJPN-TZMCWYRMSA-N 347.333 2.757 0 50 EFAA COc1nscc1CN(C)C(=O)Nc1ccc(C)nc1N(C)C 1773309005 NIZWBCHPGQLAIR-UHFFFAOYSA-N 335.433 2.585 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cncnc2-c2ccccc2)C1 272085197 CJRUTLIIGZRKKH-OAHLLOKOSA-N 339.395 2.559 0 50 EFAA Cn1nc(C(=O)N2CCOc3c(Cl)cccc32)cc1OC(F)F 186038265 AXKWIPJFGKAMIF-UHFFFAOYSA-N 343.717 2.714 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)NCCn1cnc3ccccc31)CC2 277302448 VLCLJUBLWIAXDR-MRXNPFEDSA-N 335.407 2.891 0 50 EFAA C[C@@H](Oc1ccccc1F)C(=O)NC12CCC(C(=O)O)(CC1)CC2 404333659 DQBOJYKFKVVPHD-RGZNSWCXSA-N 335.375 2.887 0 50 EFAA C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 186651856 ITVGPBCKZZLREO-DGCLKSJQSA-N 336.461 2.542 0 50 EFAA c1ccc2oc(Nc3cnn(Cc4nnc5n4CCCC5)c3)nc2c1 278018723 ZEYNVWOAFIBZBY-UHFFFAOYSA-N 335.371 2.744 0 50 EFAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cnsn1 186731390 DLASVVQTUCTQBA-UHFFFAOYSA-N 328.319 2.668 0 50 EFAA O=C(c1ccc(C2OCCO2)cc1)N1CCOC2(CCCCC2)C1 408523127 PCZYZFSVHOOKDK-UHFFFAOYSA-N 331.412 2.907 0 50 EFAA CCc1cc(NC(=O)NC2CCN(CC3CCCC3)CC2)n(C)n1 172164137 FBVUPDKEUQOZRH-UHFFFAOYSA-N 333.480 2.759 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C2CC2)C1 281855584 NUZZRCKTZHKCFW-IRXDYDNUSA-N 342.418 2.937 0 50 EFAA O=C1NCC[C@H]1N1CCC(COc2ccccc2C(F)(F)F)CC1 187841964 ONIIEPZFBRQBRJ-CQSZACIVSA-N 342.361 2.685 0 50 EFAA FC(F)(F)COc1cccc(Cn2cc(Cn3ccnc3)nn2)c1 640990481 ZIPPAOKOMGUHED-UHFFFAOYSA-N 337.305 2.512 0 50 EFAA O=C(O)CN(Cc1ccccc1)C(=O)c1occc1Br 190742164 PBCKSSDJNXDDPF-UHFFFAOYSA-N 338.157 2.769 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN2CCCC[C@H]2C1 195085147 CEQZTAHCFHGHHC-INIZCTEOSA-N 325.412 2.960 0 50 EFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@H]2CC=CCC2)cc1 195541650 FDENZOQNYLCKPL-AWEZNQCLSA-N 325.368 2.717 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)Nc2cccc(C(C)(F)F)c2)CS1(=O)=O 666826840 CZNPWBSLHLTYEG-MFKMUULPSA-N 346.399 2.886 0 50 EFAA Cc1cccc2c1CCN(C(=O)Cn1cc(C(N)=O)c3ccccc31)C2 729415241 USABPIJJKHLUEP-UHFFFAOYSA-N 347.418 2.634 0 50 EFAA C[C@H](C(=O)N1CCC(C(=O)O)CC1)c1ccc(Br)s1 237403637 LXIKJOOKDUFJGG-QMMMGPOBSA-N 346.246 2.937 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc(O)nn1 11667235 MMVQHFLSINSXDU-UHFFFAOYSA-N 336.351 2.608 0 50 EFAA COc1ccccc1CCc1nnc(CCC(=O)N2CCCCC2)o1 12094057 HDTRLFWEFUUDFR-UHFFFAOYSA-N 343.427 2.809 0 50 EFAA Cc1ccc2nc(C(=O)N3CCN(c4ccccc4F)CC3)cn2c1 12323890 JGYUQRUTRUHMRO-UHFFFAOYSA-N 338.386 2.744 0 50 EFAA COc1cccc(OCc2cc(C(=O)NCc3ccco3)n[nH]2)c1 12440831 NXSIQGDHQQLZSF-UHFFFAOYSA-N 327.340 2.520 0 50 EFAA Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F 6725359 RRUNTGCDYKJLMO-UHFFFAOYSA-N 337.298 2.687 0 50 EFAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1 2469532 HPLHJLUVXZQCBF-GFCCVEGCSA-N 341.363 2.949 0 50 EFAA Cn1cccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)c1=O 1857709631 JMZAPHAGNWBSAF-FUHWJXTLSA-N 340.471 2.903 0 50 EFAA C[C@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1S(C)(=O)=O 225810743 ORBOCGAERNANMM-AWEZNQCLSA-N 343.448 2.606 0 50 EFAA Cc1cccc(CN2CC[C@H](NC(=O)c3c[nH]nc3C(C)C)C2)c1 634270833 ARDGWCDIRCUOFN-INIZCTEOSA-N 326.444 2.846 0 50 EFAA CC[C@H]1CN(C(=O)CCNc2ccccc2C)C[C@]2(CCOC2)O1 330065532 SBSJNNHHDAQZOL-LPHOPBHVSA-N 332.444 2.594 0 50 EFAA COc1cccc(N2CCN(C(=O)c3ncoc3C3CC3)CC2)c1 645029243 WAZJBVVWOWVLFN-UHFFFAOYSA-N 327.384 2.523 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1c(Cl)cnn1C 657581955 BFCONECLUOOQTA-BLLLJJGKSA-N 337.855 2.547 0 50 EFAA CCN1CC[C@@H](CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)C1 252537266 KVALKFFJFORGHB-ZDUSSCGKSA-N 348.397 2.531 0 50 EFAA COCC1(CNC(=O)N[C@@H](c2nnc3ccccn23)C(C)C)CCC1 252508112 XDCPUVIVYIQMCG-OAHLLOKOSA-N 345.447 2.542 0 50 EFAA COc1cccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)c1 680489367 SVVIYFJACQMOEF-GFCCVEGCSA-N 349.408 2.759 0 50 EFAA CC(C)(C)c1ncsc1C(=O)N[C@H]1CCN(c2ncccc2F)C1 153345520 AUAQCVIILKNDRW-NSHDSACASA-N 348.447 2.983 0 50 EFAA O=C1CCc2cc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)c(F)cc2N1 159604019 MQMDZYSHVMUCQP-CYBMUJFWSA-N 346.402 2.932 0 50 EFAA Cc1cc(N2CCN(c3ccccc3O)CC2)nc(-c2ccccn2)n1 264460583 YDFWIYFMNKRITG-UHFFFAOYSA-N 347.422 2.879 0 50 EFAA O[C@H](CN[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cn1 819080223 ZFBYXNBDWZSKJG-MAUKXSAKSA-N 333.382 2.652 0 50 EFAA Cc1ccc2nc(N3CCN[C@H](c4ccc(O)cc4)C3)sc2n1 2325775467 OYRUIONUOWPABU-HNNXBMFYSA-N 326.425 2.856 0 50 EFAA COc1ccccc1CNC(=O)c1cc(OC)c(OC)c(OC)c1 2824936 IIAZXPFCQLEITK-UHFFFAOYSA-N 331.368 2.651 0 50 EFAA biogenic,in-vitro O=C(NCc1cccc2ncnn12)[C@@H]1CCCc2c1[nH]c1ccccc21 2356159143 NWGIYGPBHGCCTH-MRXNPFEDSA-N 345.406 2.947 0 50 EFAA CCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(O)c2ccccc21 3213007 QZKQHQNEUXZRIK-UHFFFAOYSA-N 340.354 2.796 0 50 EFAA COc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1OC 247871452 DJAGKMAPZKQRAV-IRXDYDNUSA-N 346.471 2.832 0 50 EFAA O=C(O)c1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 10475477 CZXJZGHQNJDAOB-KRWDZBQOSA-N 338.363 2.652 0 50 EFAA biogenic Cc1ccc(C)c(O[C@@H](C)C(=O)N(Cc2nccn2C)C2CC2)c1 55183411 ZOPJFUIVGAJUHW-HNNXBMFYSA-N 327.428 2.995 0 50 EFAA CC(C)Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)n[nH]1 9420655 YKQYHYCZDRNHGW-UHFFFAOYSA-N 325.401 2.836 0 50 EFAA Cc1nc2c(N(Cc3ccccn3)C[C@H]3CCCO3)ncnc2o1 55284545 JMRIRKQPXSCJFZ-CQSZACIVSA-N 325.372 2.507 0 50 EFAA COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)cc1 27251363 OFAHVVXEKBPZFO-LBPRGKRZSA-N 328.368 2.509 0 50 EFAA O=C(Cc1ccsc1)N1CCN(c2nc3ccccc3o2)CC1 172390902 LYSBXQGLZKLFRH-UHFFFAOYSA-N 327.409 2.781 0 50 EFAA CC[C@H](NC(=O)c1cc(CN2CCC(O)CC2)on1)c1ccccc1 67982968 IGIZPAOWNDOUQJ-KRWDZBQOSA-N 343.427 2.512 0 50 EFAA CCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1 20440107 SWSPXXAOOAGWMC-UHFFFAOYSA-N 326.400 2.683 0 50 EFAA O=C(O)C1(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 118975801 IXZNLERGCNDHLV-DEOSSOPVSA-N 343.404 2.798 0 50 EFAA C[C@H](NCC(=O)N1CCC[C@H]1c1cccs1)[C@@H](C)n1cccn1 229567233 LGYCGYJZGWSPQV-ZNMIVQPWSA-N 332.473 2.847 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@H](OCC3CC3)C2)ccc1C(N)=O 328587983 KYKVMEBMXJPVOG-OAHLLOKOSA-N 331.416 2.517 0 50 EFAA C[C@@]1(NCC(=O)O)CCN(Cc2cc(Cl)cc3cccnc23)C1 328608285 YNODDTRAAYLERR-QGZVFWFLSA-N 333.819 2.527 0 50 EFAA Cc1nonc1[C@H]1CCCN1C(=O)Cn1ccnc1-c1ccccc1 65397022 HNUUORRSMBIALM-OAHLLOKOSA-N 337.383 2.605 0 50 EFAA Cc1nc(C)c(NC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)s1 331424919 DVCVTNDQNHMZGD-WCQYABFASA-N 335.433 2.535 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 284911800 SZBVMXFOVQGVKS-NWDGAFQWSA-N 335.787 2.822 0 50 EFAA Cc1cccnc1CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 215390598 IJVSEDGTOBUVAV-UHFFFAOYSA-N 347.466 2.894 0 50 EFAA Cc1nccn1CC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 215944672 KJKLNWBDOVYPJM-KRWDZBQOSA-N 349.438 2.965 0 50 EFAA COCC1(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CCC1 252500131 SNMJAKHMEZFIPF-LBPRGKRZSA-N 345.399 2.739 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 71759557 ZDSBTYGWQJWZMD-OAHLLOKOSA-N 343.402 2.702 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 452866700 BGUKMVBXDKKQGR-IYWMVGAKSA-N 345.398 2.943 0 50 EFAA CCCn1ncc(CN2CC[C@@]3(CCCN(CCOC)C3)C2)c1C 14972340 OHQXGASKDZNTRA-LJQANCHMSA-N 334.508 2.536 0 50 EFAA COc1ccc(CCC(=O)N[C@@H]2CCC[C@H]3C[C@H]32)c(OC)c1OC 240534537 GOJIPKIUKPNCKY-RRFJBIMHSA-N 333.428 2.950 0 50 EFAA O=C(c1cnc2ccccc2n1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 339439161 ZINGLEPATHKHPU-RDTXWAMCSA-N 337.354 2.717 0 50 EFAA Cn1c(NC2CCN(c3nccs3)CC2)nc2c(F)cccc21 366847695 OMVWYCIRHVKMSW-UHFFFAOYSA-N 331.420 3.250 0 50 EFAA CC(C)c1nnc(CN2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)o1 72417894 KDMDVVAYXCACJV-AWEZNQCLSA-N 329.400 2.956 0 50 EFAA c1ccc(-c2noc([C@H]3COCCN3CCOC3CCC3)n2)cc1 367888020 ACNIJYHHNHROJW-MRXNPFEDSA-N 329.400 2.679 0 50 EFAA O=C(Cc1cccc(C(=O)O)c1)NC1(c2nccs2)CCCC1 262053057 APKFZILYYKEBBM-UHFFFAOYSA-N 330.409 2.970 0 50 EFAA CC(C)C(=O)N1CCC(C(=O)N2CC(Cc3ccccc3)C2)CC1 378500992 SKKKNHWXKOCUMK-UHFFFAOYSA-N 328.456 2.582 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)cc1 77520779 CQKCBBJTTVBNCO-HNNXBMFYSA-N 343.427 2.598 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)O)cc12 263554280 YBMAWPHLTOZUHZ-YNHOBRIKSA-N 346.358 2.641 0 50 EFAA CCC[C@@H](C(=O)OCC)N1CCC2(CC1)Nc1ccccc1NC2=O 82136727 JPMRPMSFPKYLJX-INIZCTEOSA-N 345.443 2.617 0 50 EFAA NCC[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 426552034 PNMVWIUERIPTDD-NRFANRHFSA-N 340.467 2.858 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H](N)C2)n[nH]c1-c1ccc(Cl)cc1 82097709 BNOWDXFINVQITA-AWEZNQCLSA-N 332.835 2.992 0 50 EFAA O=C(NCCN1CCCC1)N1CCCC[C@@H]1CCc1ccccn1 426389256 LPFCJLYHFVSOOI-GOSISDBHSA-N 330.476 2.674 0 50 EFAA c1ccc(-c2nc3c(c(NCc4cc5n(n4)CCNC5)n2)CCC3)cc1 82121609 FABBWEVYXANSMB-UHFFFAOYSA-N 346.438 2.544 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(c3nccnc3N(C)C)C2)c1 96141959 HALCNQPACGJWCL-ZDUSSCGKSA-N 328.416 2.554 0 50 EFAA O=C(O)C1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 238023851 VHEZLKITRBCAPM-UHFFFAOYSA-N 348.786 2.861 0 50 EFAA Cn1cnnc1CCC(=O)N1CCC(CCc2ccccc2)CC1 91988300 CGQGELSZGMXOJD-UHFFFAOYSA-N 326.444 2.619 0 50 EFAA CN1C[C@@H](CN(C)C(=O)NCc2ccc3sccc3c2)CC1=O 426641611 WZMKJGGHPDYTKD-ZDUSSCGKSA-N 331.441 2.521 0 50 EFAA Cc1cc2cc(C(=O)N3CCNC(=O)[C@H]3Cc3ccccc3)ccc2o1 91493746 URVIGRJLYWKKJF-GOSISDBHSA-N 348.402 2.925 0 50 EFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NS(C)(=O)=O 91270204 JADFBPHAOJBUTM-CQSZACIVSA-N 333.457 2.743 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3C[C@@H]4CCC[C@@H](C3)C(=O)N4)oc2c1 213337552 SNTSRZSTDDKDSF-KBPBESRZSA-N 326.396 2.790 0 50 EFAA COc1ccccc1[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(=O)O 91643484 KJLSNPMVMJOABZ-NWDGAFQWSA-N 345.317 2.664 0 50 EFAA Cc1noc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c1C 252498419 RBPDXZSWXAHSMP-UHFFFAOYSA-N 339.351 2.510 0 50 EFAA Cc1ccc(OC[C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1 534593309 LIPQTLNYKFVRBY-AWEZNQCLSA-N 342.443 2.816 0 50 EFAA 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349.431 2.608 0 50 EFAA Cn1nccc1N1CCC[C@@H](NCc2cc(F)cc3cccnc23)C1 369645881 DBQMNPUGJDKOGP-QGZVFWFLSA-N 339.418 2.866 0 50 EFAA Cc1nn(C)c2ncc(CN3CC[C@H](CNc4ccccn4)C3)cc12 237883986 QSCHGNPCKOCVNO-OAHLLOKOSA-N 336.443 2.606 0 50 EFAA C[C@@H]1CN(Cc2cnn3ccccc23)CCN(CC(F)(F)F)C1 449664770 MBMYPYCMVDWIHW-CYBMUJFWSA-N 326.366 2.650 0 50 EFAA C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 332115201 JYWFYERENHSEAN-FZKQIMNGSA-N 339.391 2.609 0 50 EFAA Cc1cc(N(C)Cc2nc(-c3cccnc3)no2)n2nc(C)c(C)c2n1 72409520 VUXRLNONRLENSA-UHFFFAOYSA-N 349.398 2.736 0 50 EFAA CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N[C@H]1CCC(=O)NC1=O 332798835 WIGMZWGWXJVOTF-AWTNTWDUSA-N 334.460 2.541 0 50 EFAA Cc1ccc(CN2CC[C@H](NC(=O)c3c(C)coc3C)C2=O)cc1 376730376 XRNOJFDTTRODPT-INIZCTEOSA-N 326.396 2.736 0 50 EFAA CC1=C(C)[C@@]2(C)[C@H]3C=C[C@@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@@]12C 216392470 NBIJTVURFQFRFP-SMOSDQRPSA-N 335.407 2.829 0 50 EFAA CNc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 333486032 QCAJRKRFOJNIBK-AWEZNQCLSA-N 349.862 2.999 0 50 EFAA COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@](C)(OC)CC1 279858623 CUBFPWAGKTWHSY-IBGZPJMESA-N 343.427 2.912 0 50 EFAA COc1ccc([C@@H]2[C@H](CNC(=O)C3=COCCC3)CCCN2C)cc1 240871426 IKMDKRSFKXQZJF-QFBILLFUSA-N 344.455 2.889 0 50 EFAA Cc1noc(C)c1CN1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 241515585 OGJFXROJTVJSDU-AUUYWEPGSA-N 329.444 2.531 0 50 EFAA C[C@H](O)c1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48501583 WBNMMENFOAZYCV-HNNXBMFYSA-N 348.491 2.931 0 50 EFAA CCc1ccc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 286182664 IMPGXXQJAQUCQL-GUDVDZBRSA-N 331.456 2.570 0 50 EFAA COc1ccc2oc(CNC(=O)c3onc4c3CCCC4)nc2c1 426414385 MCFHMNSJDRQCIG-UHFFFAOYSA-N 327.340 2.633 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CCN1C(C)C 91325282 FOLHCVCLMVLCAV-GFCCVEGCSA-N 326.387 2.918 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2scc3c2CCCC3)on1 95367133 YAHXLNSNPYOPDN-CJNGLKHVSA-N 346.452 2.911 0 50 EFAA COc1ccc(CN(C)C(=O)c2n[nH]c3c2CCC3)c2cccnc12 426409324 MTQIGXSNCWQPNO-UHFFFAOYSA-N 336.395 2.727 0 50 EFAA Cc1cc(C)n(CCCN(C)c2cc([C@@H]3CCOC3)nc(C)n2)n1 426487404 OBMBRCOJCOELKX-MRXNPFEDSA-N 329.448 2.629 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95379792 HDEFHDLUMPOKGO-KRWDZBQOSA-N 345.418 2.765 0 50 EFAA Cc1cc(C)cc(OCc2noc(CN(C)Cc3cnccn3)n2)c1 178466027 WUDSDQKYWGBYJZ-UHFFFAOYSA-N 339.399 2.687 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N(Cc1nccs1)C1CC1)C2 95387273 KBIIWOONPDQRTE-CYBMUJFWSA-N 344.436 2.894 0 50 EFAA Cc1ccc(-n2nc(C(=O)N(C)C[C@H]3CCOC3)c3c2CCC3)cc1 177311748 WTZHCHDGSWXZGH-OAHLLOKOSA-N 339.439 2.778 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCOc3nonc3C)c2c1 95525139 CZCNNDIAQWPCCC-UHFFFAOYSA-N 340.383 2.660 0 50 EFAA c1ncn(Cc2nc([C@@H]3CCCCO3)n(CC3CCCCC3)n2)n1 96151625 XQSQJAKKIXTASY-HNNXBMFYSA-N 330.436 2.740 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CNc1cccc(Cl)c1 239235305 VTELSLBKTOSKOW-OSLXHZNNSA-N 328.799 2.763 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2nc[nH]n2)cc1 97756305 ZYAQSASUIPZBIS-OAHLLOKOSA-N 338.415 2.513 0 50 EFAA c1ccc([C@@H]2C[C@H]2n2ccnc2-c2cn(C3CCNCC3)nn2)cc1 91587113 AFFDWTRPKXQHGX-FUHWJXTLSA-N 334.427 2.795 0 50 EFAA COc1cc2c(cc1OC)CN(C[C@H](O)CO[C@H]1CCC[C@H]1C)CC2 244673992 HZKWJLGDBRNGQP-JLSDUUJJSA-N 349.471 2.628 0 50 EFAA CC(=O)Nc1ccc(CNC(=O)CN2C[C@H]3CC=C(C)C[C@H]3C2)cc1 244899392 ZIZXHTWERJWBGZ-MSOLQXFVSA-N 341.455 2.549 0 50 EFAA COCc1ccsc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 179873406 BELJFDPLEIPKQQ-CYBMUJFWSA-N 333.409 2.807 0 50 EFAA COc1c(C(=O)NCc2ccccc2Cl)cnc2c1cnn2C 181370042 MSZRKKCDMZNDAU-UHFFFAOYSA-N 330.775 2.560 0 50 EFAA C[C@@](CO)(NCC1=CCCOC1)c1ccc(Br)cc1 285553114 QWVPPERAUVOCCW-HNNXBMFYSA-N 326.234 2.593 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@H](C)c2nncn2C2CCCC2)c1C 299764718 CTZMAJLECZXNMU-CYBMUJFWSA-N 330.436 2.543 0 50 EFAA CCn1nc(C(C)C)cc1-c1nc(COC)nn1-c1ccncc1 824490854 WPDWGPVJRXWTRH-UHFFFAOYSA-N 326.404 2.816 0 50 EFAA CCCCn1nc(CC(N)=O)nc1[C@]1(c2ccc(F)cc2)CC1(C)C 822888724 HJYBXDFFCNKSGT-LJQANCHMSA-N 344.434 2.961 0 50 EFAA CNC(=O)C[C@@H](C)N(C)C(=O)NCCSc1ccc(Cl)cc1 584892262 IAMSPYYNPHNKRV-LLVKDONJSA-N 343.880 2.598 0 50 EFAA CC(C)[C@@H](CO)NC(=O)c1cccc(-c2ccc3oc(O)nc3c2)c1 584891809 CKZPNUXCQXILQQ-MRXNPFEDSA-N 340.379 2.947 0 50 EFAA Cc1cc2ccccc2n1CCNC(=O)CSc1ncccn1 670446910 DAEZWBOFLZGIMM-UHFFFAOYSA-N 326.425 2.648 0 50 EFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)Cn2nc3ccccc3n2)c1 952864733 LLCNNDDUIXMJSH-CYBMUJFWSA-N 349.394 2.585 0 50 EFAA C[C@](O)(CCCO)CNC(=O)c1ccc(-c2ccccc2Cl)o1 952989797 XHOTVVMYRCXGNM-KRWDZBQOSA-N 337.803 2.853 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 408473818 KJFLNXPBVJVOGQ-IAGOWNOFSA-N 343.402 2.828 0 50 EFAA CCn1c(SCCN2C[C@H](C)O[C@@H](C)C2)nnc1-c1ccco1 408524583 VXNHEJZHWKRHCE-STQMWFEESA-N 336.461 2.759 0 50 EFAA COc1cc(CN2CC[C@@H](Nc3nnc(C4CC4)o3)C2)cc(OC)c1 278348632 JNMNEKOBMCXBSI-CQSZACIVSA-N 344.415 2.651 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCOc3cc(F)ccc3C2)c1 634692772 JEBYZRLRKYLAPP-QGZVFWFLSA-N 331.343 2.855 0 50 EFAA Nc1ncncc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 192332817 ATXQWDJTZGCKCN-UHFFFAOYSA-N 336.317 2.882 0 50 EFAA CCc1nn(C)cc1NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 666551591 ZQGGAKJRCFFLDR-GJZGRUSLSA-N 328.416 2.677 0 50 EFAA Cc1ccc2nc(COC(=O)c3c(C(C)C)n[nH]c3C)cc(=O)n2c1 786344402 ORTFFXTZDRSPPF-UHFFFAOYSA-N 340.383 2.515 0 50 EFAA C[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H](C)N1 154255651 GBRIARMOJVCQJQ-AOOOYVTPSA-N 331.279 2.652 0 50 EFAA O=C(c1ccnc(NC[C@H](CO)Cc2ccco2)c1)N1CCCCC1 1704338817 ZVECXOYJYNIEDR-OAHLLOKOSA-N 343.427 2.564 0 50 EFAA Cc1cccc(CN2CCC(NC(=O)N[C@H]3C[C@H]4CC[C@H]3O4)CC2)c1 110681154 FTNFNOQRAUBSEM-CEXWTWQISA-N 343.471 2.579 0 50 EFAA Cn1ccc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1=O 1772812383 HGMFKBKTDZDCAD-UHFFFAOYSA-N 344.842 2.987 0 50 EFAA Cc1cc(N2CCOC3(CCN(C)CC3)C2)nc2cc(F)ccc12 1772813732 RFCRXWLTPSFIFU-UHFFFAOYSA-N 329.419 2.983 0 50 EFAA CC[C@@H](C)N1CCCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 1772814763 AKYUQYPTWLXWRD-OAHLLOKOSA-N 328.460 2.828 0 50 EFAA COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)cc1 12234427 BLTIWHRKKPXGRD-QGZVFWFLSA-N 349.456 2.735 0 50 EFAA CC(C)OCCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 16651206 KSCPKNNXNMWKIM-UHFFFAOYSA-N 338.473 2.532 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)s1 1074437 OGUUYHAMXIHDPR-AWEZNQCLSA-N 325.748 2.953 0 50 EFAA COc1ccccc1-c1c(C)nn2c(N3CCOCC3)cc(C)nc12 3063576 ZZOADEUFAMRFIJ-UHFFFAOYSA-N 338.411 2.858 0 50 EFAA O=C(CCSCCC(=O)Nc1cccnc1)Nc1cccnc1 2764638 FDCTXXUWVCHPQG-UHFFFAOYSA-N 330.413 2.567 0 50 EFAA CC(C)CNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 4835024 FIAJKFFPZQVBSZ-UHFFFAOYSA-N 339.461 2.639 0 50 EFAA CNCC(=O)Nc1nc(-c2cc(Br)cs2)cs1 225472540 AEBOTMIROMMFBW-UHFFFAOYSA-N 332.248 2.792 0 50 EFAA Cc1c(CNC(=O)c2n[nH]c3ccccc3c2=O)oc2ccccc12 115714854 RLRHCNISUDLKFM-UHFFFAOYSA-N 333.347 2.908 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)Cc1csc(Cc2ccccc2)n1 136509215 KYAHXECKWKKXBB-OAHLLOKOSA-N 344.436 2.742 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@@H]1CCOC1 903944309 KAMUFXMAMNFIJW-STQMWFEESA-N 339.819 2.666 0 50 EFAA O=C(Nc1ccc2nc(C3CC3)oc2c1)N[C@]12CCC[C@H]1CNC2 904366152 GATDFAHVJJTWCL-SGTLLEGYSA-N 326.400 2.969 0 50 EFAA Cn1nc(C2CC2)cc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 907597190 NMEAADXPXYZVFQ-UHFFFAOYSA-N 327.384 2.912 0 50 EFAA C[C@@H](NCCn1cc(Cl)cn1)c1ccc(N2CCCNC2=O)cc1 839017287 FOLUNVGDFQTJLZ-CYBMUJFWSA-N 347.850 2.807 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)c1ccc(F)c2occc12)C(C)(C)CO 824475244 MTUCYTZVGQTBIE-OAHLLOKOSA-N 345.374 2.795 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)c2nccc3occc23)C1 829993171 SQAFBIDSXHYNKZ-ZDUSSCGKSA-N 337.379 2.845 0 50 EFAA Cc1cc(-c2noc([C@@]34CCC[C@@H](C3)OC4)n2)ccc1-n1cncn1 1875290899 HRFPGPMXBHJUQC-KSSFIOAISA-N 337.383 2.836 0 50 EFAA CC(C)=C(F)CN1C(=O)CC[C@@H](n2cc3c(O)cccc3n2)C1=O 1875359130 VNGXJHZPESYJHI-CQSZACIVSA-N 331.347 2.695 0 50 EFAA COc1ccc(COC(=O)c2ccc(CNC(C)=O)cc2)c(F)c1 1875354302 UEDGYCSVDZHODR-UHFFFAOYSA-N 331.343 2.827 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC3(CC2)CC(C)=NO3)cc1 1875373575 GQFQZVOIZIBMKJ-UHFFFAOYSA-N 341.411 2.606 0 50 EFAA O=S(=O)(NCc1cnc(O)c2ccccc12)[C@@H]1CCC(F)(F)C1 1875320206 LFMVKPFUTIREGA-LLVKDONJSA-N 342.367 2.548 0 50 EFAA O=C(NCc1noc2c1CCCC2)N[C@H]1CCCC[C@H]1n1cccn1 885827765 LFTUITVQAFYGRC-GOEBONIOSA-N 343.431 2.733 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2F)nn1 886097402 YTLWYYKJYSGZLE-NSHDSACASA-N 338.745 2.968 0 50 EFAA CCN(CC)C(=O)c1cccc(-c2nc(C(F)(F)F)n(C)n2)c1 2100483419 SCVHOSBXBGPFRS-UHFFFAOYSA-N 326.322 2.983 0 50 EFAA O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccnn1-c1ccncc1 2325864998 IJCSQFBDBHXPDE-UHFFFAOYSA-N 347.378 2.868 0 50 EFAA C[C@H](N)CNC(=O)c1cnc(-c2ccccc2Br)s1 2325868690 GQEZNTBSKHQTRW-QMMMGPOBSA-N 340.246 2.650 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(F)ccc2F)C1=O 2356136822 LEHNZVFGYOMRGL-GOSISDBHSA-N 336.382 2.972 0 50 EFAA COc1ccc(-c2onc(N[C@@H](C)Cn3cccn3)c2C(=O)O)cc1 2356157876 VRIWGCUIHCWOSF-NSHDSACASA-N 342.355 2.746 0 50 EFAA COc1cccc(N2C[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2=O)c1 8247549 XOJAIZSRWNRGCE-SOUVJXGZSA-N 330.428 2.553 0 50 EFAA COc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1OC 10302012 ZJKZIFWNNZHFPH-UHFFFAOYSA-N 341.360 2.652 0 50 EFAA CCn1nccc1CN[C@H](C(=O)O)c1ccc(Br)cc1 417582881 KCIXHFGVHPYLPY-ZDUSSCGKSA-N 338.205 2.581 0 50 EFAA CN(C(=O)CCC(=O)Nc1cnc2n1CCCC2)C1CCCCC1 67789163 WZVNYWGNBAMTQC-UHFFFAOYSA-N 332.448 2.729 0 50 EFAA CC(=O)c1ccc(CNC(=O)Cc2sc(S)nc2C)nc1C 134516057 AZKIRNLEUIEPFB-UHFFFAOYSA-N 335.454 2.505 0 50 EFAA COc1ccc2[nH]c(=O)c(CN(C)Cc3c(C)noc3C)cc2c1 67560798 NLVJWZLPQLBVKY-UHFFFAOYSA-N 327.384 2.774 0 50 EFAA CC1(C)CN[C@@H]1C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 424039796 KPYSOOHGHFHVGL-HXUWFJFHSA-N 326.484 2.954 0 50 EFAA COc1c(F)cc([C@@H]2CC(=O)NCc3nc(N)sc32)cc1Cl 65387343 CXSORNCURQTHSK-ZETCQYMHSA-N 341.795 2.678 0 50 EFAA CC(C)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 447295 SNZSFWOSJFUAFS-UHFFFAOYSA-N 326.201 2.626 0 50 EFAA COc1cccc(-n2cc(CN(C)c3ncnc4[nH]ccc34)cn2)c1 77320777 JZLQOGHBUCTHMO-UHFFFAOYSA-N 334.383 2.789 0 50 EFAA COc1ccc(NC(=O)N2CCN(c3nc(C)cs3)CC2)c(C)n1 124309772 KCMIHUXYGKQOEX-UHFFFAOYSA-N 347.444 2.518 0 50 EFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(S)oc2c1 121137991 IZWQOYSSPNIADW-LBPRGKRZSA-N 348.428 2.637 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](O)CO3)c3ccccc3n2)cc1 72426970 PYHPECBWGMRZEI-OAHLLOKOSA-N 334.375 2.959 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H](CSc2nnnn2C2CC2)C1 170620909 CTMIDBGVAPOOON-LLVKDONJSA-N 339.465 2.747 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nc(C(=O)O)cs2)o1 170643350 IXZCXUNSMHHWEP-FYGOAMBHSA-N 332.381 2.887 0 50 EFAA COC(=O)c1cc(C)sc1NC(=S)N1C[C@H](C)O[C@@H](C)C1 8300952 ZAUMVTSXLQZEDZ-IUCAKERBSA-N 328.459 2.649 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2c[nH]nc2-c2cccs2)no1 77555484 JPGVNFCZSKGCHG-UHFFFAOYSA-N 331.401 2.917 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2cc(O)c3cccc(F)c3n2)CC1 72169913 GYAPZTMFXSROSG-GFCCVEGCSA-N 331.391 2.636 0 50 EFAA CN(C(=O)NCc1ccnc(-n2ccnc2)c1)C(C1CC1)C1CC1 363441910 KTHARERVYFOIJN-UHFFFAOYSA-N 325.416 2.597 0 50 EFAA Cc1nc[nH]c1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 72422104 WMNIMTMHUXZHTL-LBPRGKRZSA-N 341.440 2.727 0 50 EFAA CN1CCCC[C@@H]1CCN1CCCN(C(=O)c2ccsc2)CC1 363682321 KMPSIGRGVAAJCI-QGZVFWFLSA-N 335.517 2.770 0 50 EFAA CC[C@@H](NC(=O)c1ccnc(-n2cnnc2)c1)c1ccc(F)cc1 71750540 HZZYUOMGCFJPHC-OAHLLOKOSA-N 325.347 2.683 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(-c3nnc(S)o3)cc2)CC(C)(C)O1 126471272 IDYZBKGPNCPLSI-JTQLQIEISA-N 333.413 2.665 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)CC(C)(C)CC3)C1 332169553 MFUNFOHTYMZTCM-GFCCVEGCSA-N 335.473 2.855 0 50 EFAA O=C(NCC1(c2ccc(F)cc2F)CC1)[C@H]1CCCN1C(=O)C1CC1 153010544 UBDAYIMXBUCRJV-MRXNPFEDSA-N 348.393 2.514 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)s1 36385595 NZEVGRHVHLOISI-QGZVFWFLSA-N 349.475 2.659 0 50 EFAA CCc1nc(Cc2noc(C3(O)Cc4ccccc4C3)n2)cs1 364856182 UMISUTPVBDUBDV-UHFFFAOYSA-N 327.409 2.666 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3OC)n2)C1 237266006 AGDDYVCYRAHHBU-ZDUSSCGKSA-N 345.468 2.890 0 50 EFAA O[C@H](C[C@@H]1CCCN1Cc1ncnn1-c1ccccc1)c1ccco1 241776883 RTINWWJNGQJVIS-DLBZAZTESA-N 338.411 2.948 0 50 EFAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1cn2ccsc2n1 77489275 ONEVOFFEXLQYIH-CYBMUJFWSA-N 343.456 2.757 0 50 EFAA CCC1(NC(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)CC1 452465787 WZJYYCXAEKGTOA-UHFFFAOYSA-N 329.400 2.621 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)c2cn(C)nc2C)c2cnn(C(C)C)c2n1 171081398 KKHUUIMYPFNFLX-LBPRGKRZSA-N 340.431 2.854 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)NCc2noc3c2CCCC3)cc1 377583681 MVNYJADQJUMNIV-HSZRJFAPSA-N 333.413 2.613 0 50 EFAA CCOc1c(F)cccc1C(=O)NC[C@@]1(O)CCc2ccccc21 159301871 NGHLMGMBEJZXCG-IBGZPJMESA-N 329.371 2.788 0 50 EFAA O=C1CC[C@H](C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c2ccccc21 263375944 AVYUNUSSFPANKO-ZCPGHIKRSA-N 341.407 2.991 0 50 EFAA O[C@@H](CN1CCO[C@@H](c2nccs2)C1)c1cc(F)ccc1F 222213301 OUBXYPSDXAXFTH-UONOGXRCSA-N 326.368 2.528 0 50 EFAA CC[C@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccc(F)cc1 426435084 XUNGXFQDGJMTOK-HNNXBMFYSA-N 349.406 2.903 0 50 EFAA Cc1nc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)oc1C 286766798 MTTPVTAVHQAAKE-MAUKXSAKSA-N 331.464 2.540 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1 238178801 BYIAPEWAWCOQLY-OAHLLOKOSA-N 329.327 2.706 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95363597 ZLXATKPCHRJUBP-MRXNPFEDSA-N 341.459 2.745 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 91321306 WKJMUVRGTSFZCS-UTKZUKDTSA-N 345.483 2.954 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC1=CCCOC1 287935974 AQJLLPPOHWWBSQ-JTQLQIEISA-N 345.365 2.629 0 50 EFAA COc1c(F)cc(F)cc1[C@H](C(=O)O)N(C)Cc1c(C)n[nH]c1C 95380171 OCSSVNZDLSKGJF-CQSZACIVSA-N 339.342 2.571 0 50 EFAA COCC[C@]1(O)CCN(CCCOc2ccc(F)cc2)C[C@H]1C 91974127 QMYWFOFAVITKCA-CRAIPNDOSA-N 325.424 2.704 0 50 EFAA Cc1ccccc1COC1CN(C(=O)CC[C@@H]2CCCN(C)C2)C1 95388805 IQSNNJAMRDFTJZ-KRWDZBQOSA-N 330.472 2.844 0 50 EFAA Cc1ccc2nc(C(=O)N3CC(OCc4ccccc4F)C3)cn2c1 91535903 DQRYZOTVMWOARH-UHFFFAOYSA-N 339.370 2.823 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)o1 92045478 LTPWCCDJYRBDRQ-UHFFFAOYSA-N 345.443 2.546 0 50 EFAA Cc1cncc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1 296771789 AJOYLHAHUPCLCO-HNNXBMFYSA-N 349.228 2.958 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(-n2ccnc2)cc1 244647123 GVMFMLBNKZDYKB-IEZWGBDMSA-N 348.406 2.509 0 50 EFAA Cc1cccnc1C[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)O)c1 252491958 MAGJZBXYVTYJOE-CQSZACIVSA-N 341.411 2.590 0 50 EFAA COc1ccc(CN2CCN(C(=O)NC3CCCCC3)CC2)cc1O 180016749 KFRWARGXEZIHOV-UHFFFAOYSA-N 347.459 2.561 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCc2c[nH]nc2C1 531819824 CANZJXZMCJBCPA-AWEZNQCLSA-N 338.436 2.749 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)c3cn(C(C)C)cc(C(=O)O)c3=O)C[C@@H]2C1 299777496 KERZJGAGIPUTNX-KGLIPLIRSA-N 344.411 2.556 0 50 EFAA CN(C)Cc1nc(C(=O)Nc2cccc(-n3cccn3)c2)cs1 823719844 OVQPJNVJMPRELK-UHFFFAOYSA-N 327.413 2.643 0 50 EFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCC2 828166681 ZFEBXYHYQBFAKE-KRWDZBQOSA-N 338.407 2.803 0 50 EFAA Cc1c(CNCCN2CCC[C@@H](CO)C2)[nH]c2ccc(Cl)cc12 952973879 IGKLFBKYTXCVOT-CQSZACIVSA-N 335.879 2.924 0 50 EFAA CC1=C(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)OCCO1 952975189 QITKZFIAKVBICA-GFCCVEGCSA-N 327.384 2.874 0 50 EFAA CCNc1nc(C)c(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1 952962885 GHKDXWVUGFIHPT-ZDUSSCGKSA-N 331.441 2.959 0 50 EFAA C[C@H]1CN(Cc2nc3ccccc3s2)CCN1c1cnccn1 1460971995 KHJFVAKUTZLAHU-ZDUSSCGKSA-N 325.441 2.797 0 50 EFAA COCCC1(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC1 275965200 NFLSCFPWJNXZBA-SFHVURJKSA-N 345.487 2.711 0 50 EFAA CCOc1ccc(NC(=O)c2ocnc2C(F)(F)F)cc1CO 635710187 URAOCXJLFIJIKL-UHFFFAOYSA-N 330.262 2.837 0 50 EFAA NS(=O)(=O)c1ccc2c(c1)N(Cc1cc(F)cc(F)c1)CCC2 189195920 GMUGYWMLJZAXFY-UHFFFAOYSA-N 338.379 2.565 0 50 EFAA CCn1cc([C@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)cn1 190798058 GCUXEWBGXHXHAL-MRXNPFEDSA-N 339.399 2.527 0 50 EFAA COC(=O)c1ccc(CN2CCSC[C@H]2c2cnn(C)c2)s1 191219090 VLAFUAKXKAINOP-ZDUSSCGKSA-N 337.470 2.558 0 50 EFAA Cc1nc(C[C@H]2CCCN([C@@H]3CCc4ccccc4NC3=O)C2)no1 191991415 JIDZICIIEPNZTO-RHSMWYFYSA-N 340.427 2.586 0 50 EFAA COCc1nc([C@H]2CCCCN2C(=O)NCc2ccc(C)s2)n[nH]1 663573594 MOBUDKJQFAKVHM-CYBMUJFWSA-N 349.460 2.758 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1c(O)nc(C)c(C)c1C 1506431676 VDHJTDQTJICPMB-HNNXBMFYSA-N 329.400 2.567 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc(Cl)cc1F 1529198657 LHAMXQCQHCEBSW-WBMJQRKESA-N 334.778 2.862 0 50 EFAA Cc1cc(N2CCc3[nH]nc(C4CC4)c3C2)nc(N2CCCCC2)n1 1704351089 SKRPSPSMPKKNMC-UHFFFAOYSA-N 338.459 2.939 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3csc(C)n3)C1)CC2 1704345457 YTFGBJREGLBUHL-GOSISDBHSA-N 342.468 2.599 0 50 EFAA CCn1cc(C(=O)N(C)CC=Cc2ccc(Br)cc2)nn1 1857530570 CZWGXGXYOBRNSC-UHFFFAOYSA-N 349.232 2.846 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)N1CCCCC1 264519 JEBKVIMEQBQNPT-UHFFFAOYSA-N 334.235 2.632 0 50 EFAA in-vitro CCn1nnc(C)c1C(=O)N1CCc2c(Br)cccc21 333770106 RCSQIUOZCGHNLF-UHFFFAOYSA-N 335.205 2.572 0 50 EFAA Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)c(C)c1 581867 WCDJTRUDPGAGJP-UHFFFAOYSA-N 338.816 2.857 0 50 EFAA O=C1NCCc2ccc(-n3ccnc3-c3ccc4c(c3)OCCO4)cc21 1772806017 XCJYIWHLHNQRNK-UHFFFAOYSA-N 347.374 2.596 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1 11690555 NRTXXMQGBOBUNO-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)NCc3csc(C)n3)o2)c(C)o1 11702307 OMIORQMJQZHWLA-UHFFFAOYSA-N 346.412 2.960 0 50 EFAA O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccncc1 11814647 JZUFIWPSYGGWKA-QGZVFWFLSA-N 331.379 2.741 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 19831975 VBWUQPYMXJYOPW-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1 381918 CHMSYJVOAKTWCI-UHFFFAOYSA-N 336.808 2.607 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(C(=O)C1CC=CC1)C[C@H]2C(=O)O 1857685002 NDCNUWSXGRYTKY-KRWDZBQOSA-N 346.471 2.544 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1 330546557 ABGFNXOQMQQPDI-WPRPVWTQSA-N 338.713 2.605 0 50 EFAA CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 230193434 ZZWRITWREIDHRD-KSEOMHKRSA-N 348.446 2.532 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 328615158 XXLFMWBNRKTCAP-DGCLKSJQSA-N 341.367 2.635 0 50 EFAA COc1cccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1F 646241264 VDYUMLJSPCIHAR-QGZVFWFLSA-N 342.414 2.768 0 50 EFAA Cc1cc(C)c2c(c1)CN(C(=O)NCc1nc(C(C)(C)C)n[nH]1)CC2 333604081 MYSKTRXZBLPLLQ-UHFFFAOYSA-N 341.459 2.987 0 50 EFAA Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237681606 MPGFDKHQVURPKN-IAGOWNOFSA-N 331.412 2.581 0 50 EFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1Cl 238107835 ZWDLXOIECRYBHW-SNVBAGLBSA-N 329.755 2.575 0 50 EFAA CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 248008898 BJTQOWODOLCRTM-USXIJHARSA-N 343.402 2.897 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1C(=O)O 362299135 NWGMTDWUUJTCLQ-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA CN(Cc1cccc(F)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363582962 PBOAOKOQFVAYFD-MRXNPFEDSA-N 332.379 2.865 0 50 EFAA Cc1nnccc1C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 367978009 NLBNOBSSHYZODE-AWEZNQCLSA-N 327.388 2.803 0 50 EFAA Cc1nsc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 266108125 JMDHCAFWNAYKLM-UHFFFAOYSA-N 336.848 2.852 0 50 EFAA CN(C)c1nccc2c1N(C(=O)c1ccc(OC(F)F)nc1)CCC2 906134080 JRTMKMCGNNSBRL-UHFFFAOYSA-N 348.353 2.737 0 50 EFAA Cc1nc(N2CC[C@@H](C)[S@](=O)CC2)sc1C(=O)OC(C)(C)C 822427156 WNWNBQCEWRXMSN-ZQJOYCHOSA-N 344.502 2.754 0 50 EFAA Cc1[nH]ccc(=NC(=O)NC2CCN(c3ccncc3)CC2)c1Cl 1123415181 NUEXJOXDBUCCQJ-UHFFFAOYSA-N 345.834 2.651 0 50 EFAA CC(C)N1CCC[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 930424099 IDBRNKOTCUQKSS-SFHVURJKSA-N 339.439 2.708 0 50 EFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1conc1C(F)(F)F 834740769 XCVVHPVTOZHIQB-MRVPVSSYSA-N 344.293 2.573 0 50 EFAA O=C(O)CN1CCC(NC(=O)Nc2ccc3c(c2)C=CCCC3)CC1 864604343 CLRIOAIFQFCLMT-UHFFFAOYSA-N 343.427 2.707 0 50 EFAA C[C@H](CNS(=O)(=O)CC[C@H]1CCCC1(F)F)c1nccs1 952995566 QCOBXXSIBRVDFT-GHMZBOCLSA-N 338.445 2.992 0 50 EFAA COC(=O)CCc1csc(NC(=O)[C@H]2CCC[C@@H]2SC)n1 1875262154 WQAZGZWOHVIMBV-QWRGUYRKSA-N 328.459 2.719 0 50 EFAA Cc1c(Cl)cccc1C(=O)NCc1nnc([C@@H]2CCCOC2)o1 886096984 QNDPEXZUILRHOW-LLVKDONJSA-N 335.791 2.855 0 50 EFAA Cc1cc(C)c(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)o1 886095253 PDQSTBXWWWLQBS-KRWDZBQOSA-N 343.427 2.647 0 50 EFAA O=C(NCCC1CCC(F)(F)CC1)[C@@H]1OCC[C@@H]1Cn1cccn1 890055073 SAOSKNGNVGHUTD-HUUCEWRRSA-N 341.402 2.620 0 50 EFAA Cc1cnc(CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)[nH]1 1775989385 NAFSEKNFGAIBNE-AWEZNQCLSA-N 332.473 2.666 0 50 EFAA Cc1nc([C@@H]2CCCN(c3ncc(Br)cn3)C2)[nH]c1C 1775989118 DSECGIARDXVVLZ-LLVKDONJSA-N 336.237 2.963 0 50 EFAA Cc1nc(O)c2ccc(C(=O)N[C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)cc2n1 898984098 HJHOKNCKBKCSNN-BPQIPLTHSA-N 349.365 2.851 0 50 EFAA Cn1c2ccccc2c2nnc(SCC(=O)NC3CCCC3)nc21 105691 AXPBFSBNYAUBBD-UHFFFAOYSA-N 341.440 2.667 0 50 EFAA CCc1nc(O)ccc1C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 2100540281 HGFXOKJPHGCZHA-UHFFFAOYSA-N 328.347 2.637 0 50 EFAA CN(Cc1ccc(-n2cccn2)c(F)c1)C[C@H]1CCc2nccn2C1 2325747093 PWTVEUSJLZZSLI-MRXNPFEDSA-N 339.418 2.902 0 50 EFAA O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)C1(n2ccnn2)CC1 2325766442 TYZIAMYJBNZMDR-UHFFFAOYSA-N 343.284 2.519 0 50 EFAA Cc1sc([C@@H](C)N)nc1C(=O)Nc1cccc(-n2cnnc2C)c1 2325768555 YBBFWQVVKODHEZ-SECBINFHSA-N 342.428 2.613 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)cc1-c1ccccc1 2325786458 MSXWTYXANZQLBH-JKSUJKDBSA-N 340.379 2.506 0 50 EFAA COc1cc(CN2C[C@@H](CC(=O)O)OC3(CCC3)C2)cc(OC)c1C 2325798350 SDYYFBPREIQROH-OAHLLOKOSA-N 349.427 2.610 0 50 EFAA N[C@H]1CN(C(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccccc21 2325857614 IXDKBBBAXPXUFK-ZDUSSCGKSA-N 326.787 2.872 0 50 EFAA CCOc1cc(C(=O)NC[C@H]2CCCO2)cc(OCC)c1OCC 30216 VFWBMMLXTRBGIM-CQSZACIVSA-N 337.416 2.792 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(C)c(C)c2)C1 254763 KJXSQUDNJGJYFJ-INIZCTEOSA-N 332.444 2.907 0 50 EFAA CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 306141 DXYNGMATGIQNFL-UHFFFAOYSA-N 338.473 2.780 0 50 EFAA COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 4839624 WXLGMHKDWAGKIR-UHFFFAOYSA-N 331.821 2.691 0 50 EFAA CCOc1ccc([C@@H](C)NS(=O)(=O)c2cnn(CC)c2C)cc1 6725344 JNMNMKJSJCDKOH-GFCCVEGCSA-N 337.445 2.650 0 50 EFAA CCOC(=O)N1CCC[C@@H](c2nc(-c3csnc3OC)no2)C1 864096519 CJAWGLWKNBCJEK-SECBINFHSA-N 338.389 2.538 0 50 EFAA COCCCN(Cc1ccc(OC)cc1)c1ncnc2oc(C)nc12 55371594 JZWQMNZJNPABIX-UHFFFAOYSA-N 342.399 2.978 0 50 EFAA Cc1ccc(CNC(=O)C2CCN(c3ncns3)CC2)cc1F 134646598 XJFOLXPLEZJOTH-UHFFFAOYSA-N 334.420 2.518 0 50 EFAA Cc1cc(C)c2c(CC(=O)NCCc3nnc(N)s3)coc2c1C 67982708 DHDWLYYKZKTQRK-UHFFFAOYSA-N 344.440 2.693 0 50 EFAA Cc1ccc(C(=O)NCC[C@H]2CCCN(Cc3ccccn3)C2)cn1 67946706 JVWPEMGQSLOLMJ-QGZVFWFLSA-N 338.455 2.817 0 50 EFAA Cc1cc(NC(=O)NCc2ccccc2CN2CCOCC2)ccn1 119299334 VDOCPNCJNFAXDU-UHFFFAOYSA-N 340.427 2.544 0 50 EFAA CC(C)(NC(=O)[C@H]1C[C@H]2CC[C@H]1NC2)c1nc(C(F)(F)F)cs1 423277273 PORHJAGPPQMJIH-KXUCPTDWSA-N 347.406 2.901 0 50 EFAA CCCN(Cc1nc(C(=O)OCC)no1)[C@H]1C[C@@H](OCC)C1(C)C 328598104 KAVRWKNZJMIDMK-QWHCGFSZSA-N 339.436 2.662 0 50 EFAA COCC1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 67789656 GBABDXBLLFPTGX-RBUKOAKNSA-N 339.435 2.943 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)[C@H](C)c3ccc(Cl)s3)CCO2)o1 328612966 QLCDGPCFOVRGMH-PSASIEDQSA-N 341.820 2.797 0 50 EFAA COCc1cc(CN(C)Cc2cc3ccc(Cl)cc3[nH]c2=O)n[nH]1 67934270 CYFKGNMJINHQOG-UHFFFAOYSA-N 346.818 2.683 0 50 EFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)c3ccccc31)C2 67740327 SDWNNVWPBRSBFF-INIZCTEOSA-N 335.407 2.888 0 50 EFAA COC(=O)[C@@H]1CCCCN1Cc1cc2ccc(SC)cc2[nH]c1=O 67921383 KOMBVJOEJCTAAR-INIZCTEOSA-N 346.452 2.778 0 50 EFAA Cc1cccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c1 22609016 YHWNVQMGBBPBRF-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA Cc1cccc2ncnc(N3CCC[C@@H]3[C@@H]3COCC[C@@]3(C)O)c12 284443860 ANSUYTOJZASEMN-ZSZQSSIHSA-N 327.428 2.695 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ncc(-c3ccc(C)cc3)o2)C1 284746624 YKGPMKMEZWMEOP-CABCVRRESA-N 339.399 2.730 0 50 EFAA CCc1n[nH]c(SCC(=O)N(C)Cc2cccc3ncccc23)n1 77408260 CTTACNFQJQGPBC-UHFFFAOYSA-N 341.440 2.666 0 50 EFAA CCN1CC[C@@H](N(C)C(=O)Nc2c[nH]nc2-c2nccs2)C[C@H]1C 333617119 HTXCJBNBRAPZSE-VXGBXAGGSA-N 348.476 2.870 0 50 EFAA CCc1nn(C)c(CC)c1CN1CCC[C@@H](CC(C)(C)C(N)=O)C1 449411056 FCURTMLWPMDGSZ-AWEZNQCLSA-N 334.508 2.659 0 50 EFAA CNC(=O)c1cc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2[nH]1 352439219 PDYCLKZVYHPJTD-UHFFFAOYSA-N 349.350 2.763 0 50 EFAA Cc1nc(CC(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1 72478612 KQIGYUAWFLZSPP-INIZCTEOSA-N 332.473 2.970 0 50 EFAA Cn1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1 241586473 OWEYPZRKDZWUQV-UHFFFAOYSA-N 337.345 2.932 0 50 EFAA C[C@@H]1CN(CC2CCN(C(=O)c3cc(C4CC4)on3)CC2)C[C@@H](C)O1 241515618 OGNGYAFILUFJDD-ZIAGYGMSSA-N 347.459 2.513 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 241738558 QYOFZQXJBITGCV-KBAYOESNSA-N 339.439 2.967 0 50 EFAA Cc1ncsc1CCCNc1nc(C2CC2)nc2c1CCNCC2 72421816 AUQGVTANQGYQQS-UHFFFAOYSA-N 343.500 2.852 0 50 EFAA O=C1[C@@H]2C[C@@H](CN2c2ncnc3c2CCC3)N1c1cccc(Cl)c1 77542242 ARRJUPSGZKWUTH-BBRMVZONSA-N 340.814 2.613 0 50 EFAA CCCNc1ncc(CN2CCO[C@@H](Cc3cccc(F)c3)C2)cn1 71750398 QSFBRDTXJYUFDZ-SFHVURJKSA-N 344.434 2.881 0 50 EFAA COc1ccnc(CN2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1 367870413 ZQXKORTVMXKMCQ-ZDUSSCGKSA-N 327.432 2.916 0 50 EFAA COc1ccc(N[C@H]2CCCN(c3nccc(C)n3)C2)cc1OC 72156709 GFNOJIXKURZILU-HNNXBMFYSA-N 328.416 2.883 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCC[C@@H](c2cc[nH]n2)C1 369732569 PGVUPFGKOBJUNB-LLVKDONJSA-N 325.347 2.512 0 50 EFAA NC1(c2noc(-c3csc(-c4ccc5c(c4)OCO5)n3)n2)CCC1 261880620 WFLAKMVMECPFKQ-UHFFFAOYSA-N 342.380 2.927 0 50 EFAA CNc1ccnc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77406146 ZHNZKCOYOMCPRQ-LJQANCHMSA-N 343.475 2.670 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1C[C@@H]2CCC[C@H](C1)C2=O 245703679 LUIKVNUEMGHDDE-DJPQRKLGSA-N 331.456 2.846 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc3nccn23)C1 370731448 WWHPKKRAMSSDHW-MRXNPFEDSA-N 326.400 2.730 0 50 EFAA C[C@H]1C[C@@H](c2cccs2)CN1C(=O)c1cnc2ccccn2c1=O 371012702 ZCDFGFJMWUJRHA-QWHCGFSZSA-N 339.420 2.774 0 50 EFAA CC(C)(Cc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2CCO 371309960 DTPARWCTHZOONB-KRWDZBQOSA-N 341.455 2.638 0 50 EFAA O=C(C[C@H]1COCCN1C(=O)[C@H]1Cc2ccccc21)c1cccs1 343605676 BWGQFOZVHCTBSC-HOCLYGCPSA-N 341.432 2.888 0 50 EFAA CCOc1c(Cl)cc(CNC(=O)[C@@H]2C[C@]23CCOC3)cc1OC 373409529 UNEGYPSAPXTTSO-SJCJKPOMSA-N 339.819 2.790 0 50 EFAA COc1ccc2c(c1)[C@@H](NCc1ccnc(N(C)C)n1)CCCO2 344292136 FHCXACRLDTYRBZ-INIZCTEOSA-N 328.416 2.555 0 50 EFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCc1cccnc1 220035101 ICKHTYFTDSTZND-FQEVSTJZSA-N 337.467 2.995 0 50 EFAA CCc1cnc(CN(C)Cc2cnnn2Cc2ccccc2)s1 292425975 COQBIZZSFSIQTP-UHFFFAOYSA-N 327.457 2.977 0 50 EFAA CCCc1nnsc1C(=O)NCCc1noc(-c2ccccc2)n1 221438521 CJBINWYDPUSPPK-UHFFFAOYSA-N 343.412 2.513 0 50 EFAA CC(C)N1CCC2(CC[C@@H](CNC(=O)CCc3ccncc3)O2)CC1 426589750 IZIBOZRZLZJDFO-SFHVURJKSA-N 345.487 2.552 0 50 EFAA CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C)nn2C)C(C)(C)C)o1 225494619 JKCHOERDHCJKRZ-OAHLLOKOSA-N 346.431 2.726 0 50 EFAA COc1cccc(N2CCN(C(=O)NCCSC)CC2(C)C)c1 426548739 HZQKUTAAOTYHQR-UHFFFAOYSA-N 337.489 2.668 0 50 EFAA CCc1nccn1CCNC(=O)c1ccc(-c2ccc(C)nn2)cc1 426535961 VUTMREHZYPLBFP-UHFFFAOYSA-N 335.411 2.641 0 50 EFAA Cc1nc(N2CCC[C@H](C(=O)c3cccs3)C2)c2cnn(C)c2n1 95353216 PNMCJGKLKJACGI-LBPRGKRZSA-N 341.440 2.833 0 50 EFAA CC(=O)c1cccc(-c2nc(Cc3cccs3)nn2CC(=O)O)c1 97694980 OEVHEUUXEIHTIP-UHFFFAOYSA-N 341.392 2.885 0 50 EFAA COc1ccc2c(c1)cc(C(=O)NCc1ccc(C(=O)O)s1)n2C 95510622 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50 EFAA c1ccc(CCCN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299789488 VTFWYRLSEAGCRW-UHFFFAOYSA-N 348.454 2.734 0 50 EFAA COCCCCN1CCN(C(=O)c2cc(F)ccc2Cl)CC1 584895495 YPJNPUBCXRJGCY-UHFFFAOYSA-N 328.815 2.664 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875289217 YQQCBZPZKVWUCX-SIXLDLHFSA-N 349.862 2.616 0 50 EFAA O[C@]1(Cc2ccc(F)cc2)CCN(Cc2cccn3ccnc23)C1 1775994179 XGVYDYWAPRAQJX-IBGZPJMESA-N 325.387 2.653 0 50 EFAA O=C(c1oc2ccccc2c1Cl)N1CCN(c2ncc[nH]2)CC1 1775986606 WKIWLDKDYWTZSU-UHFFFAOYSA-N 330.775 2.772 0 50 EFAA CCc1nnc(-c2cccc(S(=O)(=O)NCc3ccccc3)c2)o1 1345600997 IDUPMQKEFDXIKY-UHFFFAOYSA-N 343.408 2.778 0 50 EFAA O=C1CC[C@H](C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)O1 1361332661 RJVBPHCEOQOGDW-OAHLLOKOSA-N 330.771 2.974 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@@H](NCCO)c2ccccc2)c1 1400087549 QAPOEIHXYAPOJY-QGZVFWFLSA-N 332.831 2.701 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)o1 185977802 CHZMXYXZRSSBLE-OAHLLOKOSA-N 349.770 2.933 0 50 EFAA COc1ccc(F)cc1CC(=O)Nc1c[nH]nc1-c1ccccn1 186444509 NKKAMTMROYEWMO-UHFFFAOYSA-N 326.331 2.801 0 50 EFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H]1CCC[C@H](O)C1 1074514821 ZELVDVGIKTWNCH-MOPGFXCFSA-N 330.472 2.533 0 50 EFAA Cc1cccc(NC2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)c1 187121787 DIBUWUUPSLBXHB-UHFFFAOYSA-N 326.444 2.981 0 50 EFAA COc1ccc(NC(=O)[C@H]2CCN(C3CCCCC3)C2)cc1CO 305654786 FGSNKPDBGJXGGF-AWEZNQCLSA-N 332.444 2.781 0 50 EFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1 170088830 OMNXNCLJDAFALF-INIZCTEOSA-N 334.441 2.867 0 50 EFAA CCCc1ccc(C(=O)CN2C(=O)N[C@@](CC)(C3CC3)C2=O)cc1 170595562 UKEPBUGAHXWQSG-IBGZPJMESA-N 328.412 2.932 0 50 EFAA CCOc1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)cc(Cl)c1O 187911703 TXMOWCNUTORZBW-IINYFYTJSA-N 327.808 2.941 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282657515 VCRDFPSPYXIDGS-HZPDHXFCSA-N 345.370 2.548 0 50 EFAA COc1ccccc1C[C@@H](N[C@@H](C)c1nnnn1C1CC1)C(C)C 192178879 XZBWMOGOOCKIQE-XJKSGUPXSA-N 329.448 2.935 0 50 EFAA 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C[C@H](NC(=O)CCC(=O)OC(C)(C)C)c1nc2ccccc2n1C 192426564 NIOXXUXEHJJNJB-LBPRGKRZSA-N 331.416 2.872 0 50 EFAA Cn1nc(C2CC2)nc1CC(=O)N1CCC[C@]1(C)Cc1ccccc1 648359634 WBMPTNNCRKRBGE-HXUWFJFHSA-N 338.455 2.859 0 50 EFAA CC[C@H](NC(=O)C[S@](=O)C1CCOCC1)c1ccc(Cl)cc1 194622676 CNURCGHVJDVMAZ-NYHFZMIOSA-N 343.876 2.835 0 50 EFAA CN1C[C@H](NC(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)C(C)(C)C1 1652492265 WJGKPLZXJUXRHN-KRWDZBQOSA-N 337.427 2.628 0 50 EFAA C[C@H](C(=O)Nc1ccccn1)N(C)Cc1cc(-c2ccccn2)no1 1529191836 FUYWIKGGINFXLA-CYBMUJFWSA-N 337.383 2.591 0 50 EFAA CCCn1cnnc1[C@@H](C)Nc1cc(CC)nc(N2CCCC2)n1 1704353417 WOIDWXWHEUTFNS-CYBMUJFWSA-N 329.452 2.814 0 50 EFAA CCCCS(=O)(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704297630 UPVSGRQWOXJAPN-QAPCUYQASA-N 348.468 2.512 0 50 EFAA COc1ccc(-c2onc(NC[C@H](C)CN(C)C)c2C(=O)O)cc1 1704324885 AAOXCRSFCXTGNA-NSHDSACASA-N 333.388 2.658 0 50 EFAA CN(CC(C)(C)O)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772818552 UNAXTFQANZCTNB-CYBMUJFWSA-N 345.468 2.539 0 50 EFAA CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 565400 PVCHTCDDFPOLLP-XAPLUZPNSA-N 339.189 2.807 0 50 EFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)NC12CC3CC(CC(C3)C1)C2 5043541 UUOHAZAKORYIHT-VQBCORBOSA-N 342.439 2.950 0 50 EFAA O=C(CCc1ccccc1)C(=O)N1CCO[C@H](Cc2ccccc2)C1 12051733 XTSFVSFXRDJQQF-LJQANCHMSA-N 337.419 2.658 0 50 EFAA COc1cc(OC)cc([C@H]2NCCc3cc(OC)c(OC)cc32)c1 16309982 HTGRKZPYDVJOGG-LJQANCHMSA-N 329.396 2.956 0 50 EFAA O[C@H](COCc1ccccc1F)CN1CCN(c2ccccc2)CC1 19794762 ZAKDMDPJEMMJBX-IBGZPJMESA-N 344.430 2.525 0 50 EFAA O=C(O)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 2833569 DMVKQMRMAPOWOL-OQLLNIDSSA-N 340.310 2.617 0 50 EFAA COC(=O)c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1C 2879321 WKAISRJMDDOZMW-UHFFFAOYSA-N 326.352 2.992 0 50 EFAA O=C(O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1 4058713 JLPIYAZWNQIINW-UHFFFAOYSA-N 326.381 2.896 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 4842829 OSUCRAVKGPOFES-CYBMUJFWSA-N 332.425 2.939 0 50 EFAA Cc1cccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 6742535 CLNHORHXSVPVJF-UHFFFAOYSA-N 338.407 2.649 0 50 EFAA CC(C)C1(O)CCC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1 1857529266 DNGRPQFUCAGUSQ-YKFSMZDBSA-N 349.475 2.502 0 50 EFAA Cc1ncc(CN2CCO[C@H]([C@H]3CCCO3)C2)n1-c1ccccc1 247275551 YHHCEXYAOPMXCK-MOPGFXCFSA-N 327.428 2.561 0 50 EFAA CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)cnn2C)cc1 375723373 PJOGDYPCQVVNOI-INIZCTEOSA-N 349.456 2.653 0 50 EFAA CN(C)C(=O)c1ccnc(NC(=O)NCC[C@@H]2CCC(F)(F)C2)c1 930788961 MDPABXVWWLJPJO-NSHDSACASA-N 340.374 2.730 0 50 EFAA COC(=O)Cc1ccc(OC(=O)[C@H]2CCN(c3ccccc3)C2)cc1 835053745 XRYHAFZDVYYPHK-INIZCTEOSA-N 339.391 2.834 0 50 EFAA Cn1cnnc1CC1CCN(c2cc(-c3ccccc3)ncn2)CC1 1120874501 MHIPZBZCJZFOLT-UHFFFAOYSA-N 334.427 2.731 0 50 EFAA O=C(c1cnc(O)c(C(F)(F)F)c1)N1CCC[C@@H](OCC2CC2)C1 935483183 MQGSQWUISRZWCO-GFCCVEGCSA-N 344.333 2.837 0 50 EFAA Cc1nn(Cc2cccc3c2OCCO3)c(C)c1[C@@H]1CCCC(=O)N1 853723826 YDCBOWOPSKWORC-HNNXBMFYSA-N 341.411 2.661 0 50 EFAA C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CC(c2ncc[nH]2)C1 1875296553 CXTFTASTWSKWPD-SNVBAGLBSA-N 339.317 2.822 0 50 EFAA CCC[C@@H](NS(=O)(=O)c1cnc2ccccn12)c1ccccn1 1875289722 KVZNYLRARKSTDS-CQSZACIVSA-N 330.413 2.549 0 50 EFAA Cc1c(F)cccc1C(=O)NC[C@]1(c2ccccc2)CCC(=O)N1 1875307650 HUNPMLUGGQZGDP-IBGZPJMESA-N 326.371 2.669 0 50 EFAA CCN1Cc2ccccc2[C@H](NC(=O)N2CC[C@H](N(CC)CC)C2)C1 1875358180 MHUYUYHNFSJKPE-PKOBYXMFSA-N 344.503 2.689 0 50 EFAA COc1ccccc1CN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886082307 VZSIAKLOTLYIBY-IBGZPJMESA-N 341.455 2.805 0 50 EFAA COc1cc(-c2noc([C@H](F)C3CNC3)n2)cc(Cl)c1OC 888099256 XYELKYUKYNQNGS-LLVKDONJSA-N 327.743 2.637 0 50 EFAA O=C(O)c1c(C(F)(F)F)nc2c(F)cc(Br)cn12 1848350356 ZXYRRPHAVDEXJE-UHFFFAOYSA-N 327.031 2.953 0 50 EFAA C[C@H]1CC[C@@H](C)N1CCN1CCN(Cc2conc2C(C)(C)C)CC1 2325773080 RJKZVKHEQCHPPS-CALCHBBNSA-N 348.535 2.963 0 50 EFAA COc1cccc2[nH]c(CN3CC[C@@](C(N)=O)(c4ccccc4)C3)cc12 2325779539 NCBDELWPHUKWQZ-NRFANRHFSA-N 349.434 2.806 0 50 EFAA O=C(N=c1[nH][nH]c2ccncc12)[C@H]1CCOc2ccc(Cl)cc21 2325814542 AYODLXBPDLEXFB-JTQLQIEISA-N 328.759 2.538 0 50 EFAA CN1CC2(CCN(C(=O)C3(Cc4ccc(F)cc4)CC3)CC2)OC1=O 2325817897 BPPXOCWOAFIMID-UHFFFAOYSA-N 346.402 2.592 0 50 EFAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 355929 HMEFUXJAQKKRAW-ZDUSSCGKSA-N 347.440 2.949 0 50 EFAA COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl 1466625 UUPAHRMDLLEOMP-UHFFFAOYSA-N 344.754 2.583 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N1CCc3ccccc3CC1)C2 2356136781 JMPMMNSSGKAJRK-SFHVURJKSA-N 337.419 2.874 0 50 EFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 2746705 FOOQUYYIEOARTM-HZPDHXFCSA-N 348.830 2.656 0 50 EFAA CC(C)CCN1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO 104367384 UOHVQVSJEFPZRB-GOSISDBHSA-N 326.431 2.880 0 50 EFAA CCN(Cc1cccc(OC)c1OC)c1ncnc2oc(C)nc12 55196650 ZDJVNOKJKNHJOA-UHFFFAOYSA-N 328.372 2.970 0 50 EFAA O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)C2CC2)CC1 8745987 ODNSZNUAVOOEFD-UHFFFAOYSA-N 339.439 2.571 0 50 EFAA Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2[C@H]1CC=CCC1 10385393 NDSXEAOGJROIBK-GOEBONIOSA-N 327.432 2.674 0 50 EFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cc(C(C)C)nn1CC 55414604 DPZMQIRPWMHYMD-INIZCTEOSA-N 344.459 2.835 0 50 EFAA CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9236253 LLXDCMVRKKCMBA-MRXNPFEDSA-N 338.407 2.755 0 50 EFAA Cc1ccc(-n2nnc(C(=O)N3CCN(C)c4ccccc43)c2C)cc1 110477604 PCENLXUINVNPKM-UHFFFAOYSA-N 347.422 2.981 0 50 EFAA CCSc1nc2ncc(-c3ccnc(N4CCCC4)n3)c(C)n2n1 54202071 VDQXBTFXDPOAEL-UHFFFAOYSA-N 341.444 2.602 0 50 EFAA OCC1CCN([C@@H]2CCCN(Cc3cccc4cnccc34)C2)CC1 20235256 JHYHCIXQBKLUTK-HXUWFJFHSA-N 339.483 2.904 0 50 EFAA Cn1ncc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c1C1CC1 65490049 JPXWIFIAMHAEEW-ZWKOTPCHSA-N 329.419 2.787 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1 65385641 HIDUWDXFMXDXQO-GOSISDBHSA-N 348.406 2.998 0 50 EFAA Cc1cncc(C(=O)NC[C@H]2CCCN(Cc3cccc(O)c3)C2)c1 67788685 KZBRXWSPQBMIPJ-QGZVFWFLSA-N 339.439 2.738 0 50 EFAA CCCc1nnc(S)n1CC(=O)NCC1C2CC3CC(C2)CC1C3 135106127 OOOUNFUXWYZIRX-UHFFFAOYSA-N 348.516 2.708 0 50 EFAA Cc1nc2c(c(NCCOCc3ccc(Cl)cc3)n1)CCNC2 67692298 GVDILYSEXCYNNC-UHFFFAOYSA-N 332.835 2.713 0 50 EFAA CCc1n[nH]c(SCC(=O)N2CCCC[C@H]2c2nccs2)n1 20535131 DIPGIZXAGSHLDY-JTQLQIEISA-N 337.474 2.670 0 50 EFAA C[C@@H](O)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67982487 ZDJAVLYSDWLHDZ-SNVBAGLBSA-N 340.301 2.890 0 50 EFAA CCOc1ccc(-c2noc([C@@]3(C)CCN(C(C)=O)C3)n2)cc1F 350496342 QQIOJVWIPAJMBG-KRWDZBQOSA-N 333.363 2.784 0 50 EFAA CCC(=O)N1CC[C@@H](NC(=O)c2ncsc2Nc2ccccc2)C1 328592780 IOKONMSXNREMBM-CYBMUJFWSA-N 344.440 2.627 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2ncc(C)o2)[C@@H]1c1cnn(C)c1 328635563 NKUUWTRMZIDIFP-MAUKXSAKSA-N 331.464 2.622 0 50 EFAA COc1cc2c(cc1CN1CCC[C@H](c3ccncn3)C1)OCCO2 216141143 IQVGJRQRPDZDCI-AWEZNQCLSA-N 341.411 2.636 0 50 EFAA O=C(Nc1ncc[nH]1)c1cnc2c(OC(F)(F)F)cccc2c1O 218533061 ZHKIXQVLHASNHR-UHFFFAOYSA-N 338.245 2.814 0 50 EFAA Cc1nc(C(C)C)sc1CNC(=O)c1c[nH]c(=O)c(Cl)c1 219329274 YFUKPJDKWCUIKM-UHFFFAOYSA-N 325.821 2.847 0 50 EFAA Cc1cc(C)cc(N2CCN(Cc3cccc(CCN)c3)CC2=O)c1 72477807 YRHFSXMJZFTANO-UHFFFAOYSA-N 337.467 2.653 0 50 EFAA C[C@H](NC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccccn1 120839956 QMWLKHGKNDQJRX-JTQLQIEISA-N 328.347 2.988 0 50 EFAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1cc(F)ccc1F 319769282 FKXQUIMXWYGMFW-SECBINFHSA-N 341.335 2.703 0 50 EFAA COC(=O)Cc1ccnc(N2CCC[C@@H](c3ccccc3)CC2)n1 253432940 QBPWDLNGRFIJMK-MRXNPFEDSA-N 325.412 2.966 0 50 EFAA O=C(CCn1ccc2ccccc21)NCc1nc(C(=O)O)cs1 124211033 GYAWZGZEPAHPEO-UHFFFAOYSA-N 329.381 2.503 0 50 EFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CCc2cc3n(n2)CCCNC3)C1 72480640 ACCZMYJLFGLUAW-YLJYHZDGSA-N 344.503 2.736 0 50 EFAA O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccn(C2CCCCC2)n1 329977035 FUELFMOCWFMRIO-KRWDZBQOSA-N 338.411 2.534 0 50 EFAA CN(Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCCN(c2cccnn2)C1 378641462 YJWRPTZEKFSYMN-AWEZNQCLSA-N 338.415 2.561 0 50 EFAA CO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O 38260502 SOWIHMANTOCUNZ-ZRNYENFQSA-N 344.407 2.521 0 50 EFAA CCO[C@H](C)c1ncc(-c2nc(C3(OC)CCOCC3)no2)s1 331492858 AMPCRTSXUQPWAB-SNVBAGLBSA-N 339.417 2.943 0 50 EFAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C3CCOCC3)C2)o1 39485128 ZLWIOKVROLCVPM-MRXNPFEDSA-N 334.460 2.875 0 50 EFAA COCCc1ncc(-c2nccn2-c2cccc(-n3cccn3)c2)cn1 72136999 GSSYLTZRSILTIK-UHFFFAOYSA-N 346.394 2.704 0 50 EFAA CCc1sc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cc1C 237101313 MBZJYJVEXLIUGE-GFCCVEGCSA-N 325.430 2.715 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCCc2ccccc2)cn1 159539818 GGAXUBWIMPYCHK-QGZVFWFLSA-N 347.484 2.986 0 50 EFAA COc1ccc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1OC 48373860 CKSKGPRSCFSWHE-UHFFFAOYSA-N 335.367 2.887 0 50 EFAA C[C@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 241897367 TYCJCRILNKXZFR-OLMNPRSZSA-N 348.878 2.587 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(C)n1 82092581 RDWCUPBRDPPSEX-MRXNPFEDSA-N 339.443 2.720 0 50 EFAA CSCCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 223596596 ZTLIATCLLGKQHZ-LEHRNKBSSA-N 330.453 2.916 0 50 EFAA COc1cccc(-c2ncc(CNC(=O)[C@@H]3CC[C@H](N)C3)s2)c1 215361077 QHUATTALSGCRLT-YPMHNXCESA-N 331.441 2.562 0 50 EFAA O=C(Cc1noc2ccccc12)N1CC[C@@H](OCc2ccncc2)C1 172248264 VNMWAPBFCIRFRK-OAHLLOKOSA-N 337.379 2.583 0 50 EFAA CN(C)c1cccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 263432915 NXDJXLPGBXHLMY-NXHRZFHOSA-N 344.455 2.930 0 50 EFAA COC(=O)c1sccc1-c1ccc(C(=O)N[C@@H]2CCOC2)cc1 426494486 XZFURNRGHJKVKP-CYBMUJFWSA-N 331.393 2.720 0 50 EFAA Cn1c(CCN)nnc1SCc1ccc(C(F)(F)F)cc1F 426701339 BRJMSTHLDJUEFH-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA C[C@H]1CCc2sc(C(=O)NCCCc3nnc(N)s3)cc2C1 91680319 MUXDASPCHQFGED-VIFPVBQESA-N 336.486 2.669 0 50 EFAA COc1ccc(-c2ncc(CN3CC(N4CCCCC4)C3)cn2)cc1 97499544 FKWPRGMLSYWHDT-UHFFFAOYSA-N 338.455 2.822 0 50 EFAA Cc1cnn(CCNC(=O)COc2ccc(Cl)cc2Cl)c1 91617060 HCOQALSHUQJMOC-UHFFFAOYSA-N 328.199 2.694 0 50 EFAA O=C(NCCCSCc1ccc(F)cc1)c1cc2ncccn2n1 97244112 YJACAPFNRJDTLD-UHFFFAOYSA-N 344.415 2.922 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(C)(C)[C@](C)(O)C1 92027936 ZDAWOHCCVCVQBB-HXUWFJFHSA-N 341.455 2.651 0 50 EFAA Cc1ccc(OCCN(C)C(=O)N[C@H](C)CCn2cccn2)c(C)c1 426489880 HSWCUXDYDHYOHZ-QGZVFWFLSA-N 344.459 2.999 0 50 EFAA CN(C)[C@H]1CCN(c2cccc(C(F)(F)F)n2)C[C@H]1CCCO 91604973 LXDDLLYYIPZVLB-OLZOCXBDSA-N 331.382 2.629 0 50 EFAA CCNC(=O)c1ccnc(NC[C@@H]2COc3cc(OC)ccc3C2)c1 91626132 DIYTXSLUYAJVHT-CYBMUJFWSA-N 341.411 2.503 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc2nccnc2c1 97594953 KCSWCZDWYMAQHA-UHFFFAOYSA-N 335.392 2.907 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC(OCc3ccccc3F)C2)n(C)n1 91951064 KHVGKBQQUGUGRF-UHFFFAOYSA-N 345.418 2.799 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 177398560 DXLNPRIMWRDJLZ-INMHGKMJSA-N 342.439 2.979 0 50 EFAA CC1(CNC(=O)Cc2coc3cc4c(cc23)CCC4)CCNCC1 181280915 DRTUAIILNIKXSP-UHFFFAOYSA-N 326.440 2.970 0 50 EFAA CC[C@H](NC(=O)NC1(CO)CCCC1)c1ccc(OC)c(OC)c1 357538321 ORSXCCVHXGKQFO-AWEZNQCLSA-N 336.432 2.759 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@H](Cc2c[nH]cn2)n2cccc2)on1 299773129 AYFLNOLIRZSUKP-KRWDZBQOSA-N 341.415 2.765 0 50 EFAA COc1cc(OC)c(C(=O)N[C@@H](c2nccn2C)C(C)C)cc1OC 299779150 SQVUQZSQBONXTL-MRXNPFEDSA-N 347.415 2.573 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc2ncccn2n1 644940310 ILTABHJQWLEDPZ-UHFFFAOYSA-N 349.394 2.526 0 50 EFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)CC3(C)COC3)CC2=O)cc1 822264143 ATHRRHZMHJGAFC-MRXNPFEDSA-N 344.455 2.658 0 50 EFAA COc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)c2nonc12 824645555 UGOWYKSNVDWXLU-UHFFFAOYSA-N 349.350 2.729 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)NCCc2noc(C3CCC3)n2)on1 584889453 UZCHGBBZEIQCEB-CYBMUJFWSA-N 345.403 2.723 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2[nH]1 952987149 KBEWDJPQAKMOHP-JTQLQIEISA-N 339.351 2.526 0 50 EFAA C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1 268977088 KGQWPNCYGWVIOR-GWCFXTLKSA-N 345.317 2.511 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 184173980 QJEDPXSEPAQLFE-VIFPVBQESA-N 329.755 2.600 0 50 EFAA CCn1c(CCNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)nc2ccccc21 166315283 ZYAKYTXSPOMSRW-MQVJKMGUSA-N 340.471 2.636 0 50 EFAA Cc1nc(COc2ccc(S(=O)(=O)NCC3CC3)cc2)cs1 408525422 SWPDPRNFAFOZOM-UHFFFAOYSA-N 338.454 2.719 0 50 EFAA CCSc1cncc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1 169987452 WJFNXSFRXGUORD-UHFFFAOYSA-N 342.468 2.612 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 187482394 WQRZEGVSUCVGMV-GXTWGEPZSA-N 329.404 2.811 0 50 EFAA Cc1cnccc1CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 188260759 LDNVMMHMLOVQTH-HOTGVXAUSA-N 329.400 2.781 0 50 EFAA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cccc(C)n2)c1 188281501 MVCBGTIPJCPWGI-WBVHZDCISA-N 326.396 2.827 0 50 EFAA Cn1nc2c(c1CN1CCC(Oc3ncccc3F)CC1)CCCC2 639109834 CMEUHWQMLYQXBO-UHFFFAOYSA-N 344.434 2.876 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406174 XAFNMAIYVWWAOM-UONOGXRCSA-N 337.847 2.965 0 50 EFAA CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 194973018 KFXPMZAGBICJQZ-DJEJFTSGSA-N 326.437 2.528 0 50 EFAA Cc1cc([C@@H](C(=O)O)N2CCC(O)(c3cccnc3)CC2)ccc1F 1506405094 IEXSMWOMHVIPIK-KRWDZBQOSA-N 344.386 2.638 0 50 EFAA CC[C@@H](CNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1 1506418736 SFMTYTFQMPLXCF-OAHLLOKOSA-N 335.407 2.693 0 50 EFAA CN(CC1=CCCOC1)C(=O)NCc1ccc(Br)s1 660279277 ACEZOTNIMGJIKV-UHFFFAOYSA-N 345.262 2.999 0 50 EFAA Cc1ccccc1OC[C@@H](O)C(=O)NCCCc1nc(C)c(C)s1 1506395842 JEKBPWGYROUUPW-OAHLLOKOSA-N 348.468 2.557 0 50 EFAA Cn1ccc(NC(=O)CN2CCCC[C@@H]2CCc2cccs2)n1 1506416493 GRHZCMQVWRSBSX-CQSZACIVSA-N 332.473 2.907 0 50 EFAA CCCCOc1ccccc1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704344210 RFGDMDJIBCBIJK-OWCLPIDISA-N 344.455 2.852 0 50 EFAA CC(=O)c1cnc(N2CCN(c3ccc(F)cc3F)CC2)nc1C 1704314847 WHADDAJSBHYPFW-UHFFFAOYSA-N 332.354 2.592 0 50 EFAA CN(CC(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1)Cc1ccccc1 1704349622 SPUVEQJYEISZDM-FGYAAKKASA-N 343.515 2.696 0 50 EFAA COc1ccc(NC(=O)C[C@@H]2CNc3ccccc3OC2=O)cc1 1848442946 PNBFYWYKZPLVAY-GFCCVEGCSA-N 326.352 2.671 0 50 EFAA O=C(CCn1cccn1)NCc1cccnc1Oc1ccccc1F 11843842 TVXFVLVOZBDNHW-UHFFFAOYSA-N 340.358 2.916 0 50 EFAA Cn1ccnc1CN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 11935309 BPYQKZKWFVURES-OAHLLOKOSA-N 339.361 2.882 0 50 EFAA CC(C)OCCCNC(=O)c1cn(C/C=C/c2ccccc2)nn1 12112191 OKUVFRLZOTTYNI-UXBLZVDNSA-N 328.416 2.536 0 50 EFAA CCCc1c(C(=O)Nc2nnc(CC)s2)nnn1-c1ccccc1 12274637 QWEYDDQHHNOXDH-UHFFFAOYSA-N 342.428 2.886 0 50 EFAA O=C(/C=C/c1cccs1)Nc1ccc(C(=O)N2CCOCC2)cc1 12404236 NWKRHRHHRXQYQE-BQYQJAHWSA-N 342.420 2.872 0 50 EFAA COc1cc2c(cc1OC)CN(C[C@H](O)CO[C@@H]1CCC[C@@H]1C)CC2 12414263 HZKWJLGDBRNGQP-JCGIZDLHSA-N 349.471 2.628 0 50 EFAA COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1OC 4803568 ITMAKWSXAIYJDH-UHFFFAOYSA-N 333.475 2.514 0 50 EFAA O=C(c1cccs1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 4858651 NFOWISQBKBAPCS-ZDUSSCGKSA-N 341.314 2.644 0 50 EFAA CCOC(=O)C1CCN(Cc2coc3ccc(C)cc3c2=O)CC1 6667520 XHBUZBJGCKJLQI-UHFFFAOYSA-N 329.396 2.877 0 50 EFAA Cn1cc(-c2ccnc(C=Cc3cccc(OCC(=O)O)c3)n2)cn1 1857532260 RTBPKJGCSMUCJF-UHFFFAOYSA-N 336.351 2.511 0 50 EFAA Oc1n[nH]c(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)n1 1857682378 OSFFBTALKBIJTN-UHFFFAOYSA-N 342.359 2.685 0 50 EFAA CCCc1nc(COc2ccc3c(c2)CCOC32CCNCC2)no1 1857700801 MFUZKDBQZFCFFO-UHFFFAOYSA-N 343.427 2.753 0 50 EFAA COc1c2c(nc3occc13)[C@](CCC(C)(C)O)(OC)[C@H](O)CC2 199427 KHGNFPUMBJSZSM-FZKQIMNGSA-N 335.400 2.536 0 50 EFAA biogenic,in-vitro COc1ccccc1CCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 408470096 ZCGODTISSXXHGX-HNNXBMFYSA-N 328.416 2.808 0 50 EFAA COc1cccc([C@H]2CN(Cc3ccc(C)o3)C[C@@H]2C(=O)O)c1OC 248126309 XAXHGTLPCBKVRV-CVEARBPZSA-N 345.395 2.905 0 50 EFAA Cc1nc2c(cc1C(=O)N[C@H](C)CCc1cccn1C)c(C)nn2C 266093050 ONZXFGVAWKTGIT-GFCCVEGCSA-N 339.443 2.675 0 50 EFAA O=C1NCC2(CCOCC2)[C@@H]1NCc1cc(Cl)cc2ccccc12 933036820 UMUUFQHSBQCQDZ-QGZVFWFLSA-N 344.842 2.878 0 50 EFAA Cc1nc(C)n([C@H]2CCCN(C(=O)Nc3cnn(C4CCC4)c3)C2)n1 934328355 SSEQCFWWHPIGNP-INIZCTEOSA-N 343.435 2.685 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc(F)cc3ccoc23)n1 935900702 AGIKHTVKTRVICB-OTYXRUKQSA-N 345.330 2.866 0 50 EFAA Cc1cc(C[C@@H]2CCC[C@H]2NC[C@](C)(O)c2ccsc2)n(C)n1 863984301 RHJMPDLZDROQRX-QGTPRVQTSA-N 333.501 2.999 0 50 EFAA O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)NC12CC(C(=O)O)(C1)C2 1875276790 CHSFMWSUTJPNBN-NLNFPOJYSA-N 342.395 2.739 0 50 EFAA CN(CCNCc1c[nH]nc1-c1cccc(F)c1)CC(F)(F)F 1875284818 OLCMJOPSIPWKFH-UHFFFAOYSA-N 330.329 2.800 0 50 EFAA COc1cccc([C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)N2CCCC2)c1 1875292992 ZGYWALDFVYSGNF-DQEVTTJGSA-N 328.456 2.994 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCC3(CCOCC3)C2)cc1 1875380621 UJPGVEYQSAFNFS-INIZCTEOSA-N 342.439 2.915 0 50 EFAA O=C(NC1CC(Cl)(Cl)C1)[C@@H]1CCCN(Cc2cccnc2)C1 1304044682 JSTKCENDYIOWIM-CYBMUJFWSA-N 342.270 2.746 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cncc(Br)c2)C1 888079300 UMDQCWOGMNJXCW-CHWSQXEVSA-N 337.221 2.529 0 50 EFAA CCc1nc([C@@H]2C[C@@H](O)CN2Cc2c(Cl)cccc2Cl)n[nH]1 1775985491 YDUPUGBBZNOLEF-RNCFNFMXSA-N 341.242 2.982 0 50 EFAA O=C(Cc1c(Cl)cccc1Cl)N1CCC2(CC1)OCCO2 12920696 MPZCOIZGCDELBX-UHFFFAOYSA-N 330.211 2.901 0 50 EFAA Cc1cc(C2CN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)C2)no1 2325791326 OGPXIFYQPPWPII-AWEZNQCLSA-N 339.395 2.500 0 50 EFAA C[C@@H](c1nccs1)N1CCN(c2cc(=N)[nH]c3ccccc23)CC1 2325822274 NNZSLKKWHVHRTB-ZDUSSCGKSA-N 339.468 2.987 0 50 EFAA CC(=O)NC[C@@H]1CN(C(=O)c2ccc([C@@H]3CCC3(C)C)cc2)CCO1 2325849207 IQJJAYZMSYFZCP-MSOLQXFVSA-N 344.455 2.567 0 50 EFAA Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 139748 QOKLWPUCDVDBCQ-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA CCN(C)[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)c1ccccc1 248029242 SVGHBAPIRFVPAE-ROUUACIJSA-N 326.444 2.567 0 50 EFAA COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 2028642 BLKCNGNDKWNKLF-UHFFFAOYSA-N 326.757 2.929 0 50 EFAA CCc1cc(-c2cnc3cncc(N4CCC(O)CC4)n23)ccc1O 2356138472 CLNRFJXLYGXBHB-UHFFFAOYSA-N 338.411 2.625 0 50 EFAA O=C([C@@H]1C[C@H]1c1nc[nH]n1)N1CC[C@@H](CSc2ccccc2)C1 222182386 KDKCNQCVFYBLKE-BPLDGKMQSA-N 328.441 2.549 0 50 EFAA O=C(CSC[C@H]1CCCO1)N1C[C@H]2CCCN2Cc2ccccc21 222219615 RBZSBWNSSSCCJF-IAGOWNOFSA-N 346.496 2.910 0 50 EFAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)Cc1nonc1C 55308629 NGFULGLPYJSRJQ-UHFFFAOYSA-N 345.790 2.766 0 50 EFAA Cl[Sn](Cl)(c1ccccc1)c1ccccc1 170155676 ISXUHJXWYNONDI-UHFFFAOYSA-L 343.829 2.721 0 50 EFAA CS(=O)(=O)c1ccc(-c2nccn2-c2ccc3c(c2)OCO3)cc1 67770234 PKPUYFZWIAXYOB-UHFFFAOYSA-N 342.376 2.672 0 50 EFAA O=C([C@H]1CCCN(C2CCCCC2)C1)N(CCO)Cc1ccco1 65370514 QTSDGSYFSLGQBO-INIZCTEOSA-N 334.460 2.645 0 50 EFAA CCC1=NO[C@@H](C(=O)NCc2cccnc2Oc2ccc(C)nc2)C1 67604630 HQBPMCBCNDUIEI-MRXNPFEDSA-N 340.383 2.748 0 50 EFAA O=C(C1CC1)N1CC[C@]2(CCCN(CCOCc3ccccc3)C2)C1 67723555 SXEKHMVPLRWPOB-NRFANRHFSA-N 342.483 2.928 0 50 EFAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCc1ccoc1 67803723 QJZQQQLMBWNFEM-LJQANCHMSA-N 334.460 2.693 0 50 EFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3c(O)cccc3O)C2)n1 67446570 WXZXIZZNQKJOGF-GFCCVEGCSA-N 345.399 2.699 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCC[C@@H]3CN(C)CCO3)o2)cc1 67974896 CCVDWTSDNXQFSX-MRXNPFEDSA-N 328.412 2.706 0 50 EFAA CC[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCN1C(C)C 67696434 OLRISSYBLVFZJU-QGZVFWFLSA-N 325.460 2.843 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1cnc2ccccn12 65424399 YGTSJADCMIPTKN-CQSZACIVSA-N 325.416 2.574 0 50 EFAA CC[C@H](C)[C@@H]1NC(=O)N(Cc2ccccc2-c2cnn(C)c2)C1=O 170592715 TYBSQSVSGXCJSQ-LRDDRELGSA-N 326.400 2.554 0 50 EFAA Cc1ccc2c(c1)CN(CCC(=O)NCc1ccco1)C[C@@H](C)O2 11968497 FXZHLNCBPNEWOW-OAHLLOKOSA-N 328.412 2.877 0 50 EFAA COC(=O)Nc1c(Cl)nsc1S(=O)(=O)Cc1ccccc1 140577 ZLVXGYZUSBUIRW-UHFFFAOYSA-N 346.817 2.949 0 50 EFAA Cc1nn(C)cc1CNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2804213 NMLQCHBGNNKNPG-CYBMUJFWSA-N 330.432 2.798 0 50 EFAA CN(C(=O)c1cncc(O)c1)c1ccc(OCCN2CCCC2)cc1 252478646 ARBFFVULVLTZQH-UHFFFAOYSA-N 341.411 2.538 0 50 EFAA Cc1cc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2c(C)nn(C)c2n1 252486064 DEXNPMZBKAWMRO-NILFDRSVSA-N 329.400 2.555 0 50 EFAA Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccsc3)C2)cc1 229817476 DMXIADLUNFKTPO-NVXWUHKLSA-N 345.468 2.668 0 50 EFAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H]1CCN(c2ccccc2Cl)C1=O 229854217 BYAAMSOURFESRN-LALPHHSUSA-N 332.831 2.950 0 50 EFAA O=C([C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1)N1CCCC1 229810747 LKUANGZKKYPHQU-FGTMMUONSA-N 326.440 2.651 0 50 EFAA CCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cc(C)no2)cc1 252497922 IKZPFXRAQZBRPF-YJBOKZPZSA-N 346.427 2.959 0 50 EFAA C[C@@H](O)CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 328589274 LPLNHHFYXMGXKL-CYBMUJFWSA-N 333.819 2.557 0 50 EFAA Cc1cc(C(=O)Nc2ccc(Cc3nnn[nH]3)cc2)c(C)n1C1CC1 120732620 TYKQHWORDZQJIV-UHFFFAOYSA-N 336.399 2.796 0 50 EFAA CC[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642852 YNUYQLRVYFMWKU-WNHJNPCNSA-N 345.487 2.738 0 50 EFAA CSCCCN1C(=O)CC[C@H]2CN(c3ncnc(C)c3C)CC[C@H]21 72479787 IZHJLKOBMLLZQA-JKSUJKDBSA-N 348.516 2.664 0 50 EFAA CC1(C)CN(C(=O)[C@H]2CCc3nncn3C2)c2cccc(Cl)c21 328912160 OUTYFBGVVBYCNC-NSHDSACASA-N 330.819 2.818 0 50 EFAA O=C(c1csc(-c2ccccc2)n1)N1CCc2nnc(O)cc2C1 356120809 VGMSSHZOCHBXFC-UHFFFAOYSA-N 338.392 2.504 0 50 EFAA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 253418687 KBJRXTCIUNXJSA-KRWDZBQOSA-N 336.395 2.956 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)c1 71746658 GDCRCEJGTVEXEZ-ZDUSSCGKSA-N 332.400 2.624 0 50 EFAA CC(C)[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ncnn1C 72458265 NCCGGLMXURYDTM-INIZCTEOSA-N 344.459 2.646 0 50 EFAA COCCn1cnnc1[C@H](C)n1ccnc1-c1cc(F)ccc1OC 72143790 MXCSZDPYKSNWSG-LBPRGKRZSA-N 345.378 2.545 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCn1ccnc1 77487744 UYQQWHVWPJKQKH-OAHLLOKOSA-N 327.384 2.697 0 50 EFAA C[C@@H](CNC(=O)N1CCc2ccccc2CC1)CC1(C)OCCO1 153038631 PJADIYLMQYJOKQ-OAHLLOKOSA-N 332.444 2.586 0 50 EFAA O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cnn2ncccc12 361495314 NMBHHBVQLQXLLE-CQSZACIVSA-N 334.301 2.633 0 50 EFAA COc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1OC 154423721 NVGRTYVJHWMFTH-CQSZACIVSA-N 329.400 2.587 0 50 EFAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 363630907 BTZVRMYJBJSICW-OAHLLOKOSA-N 331.464 2.866 0 50 EFAA Cc1ncc(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)c(C2CC2)n1 366875271 ZGEOCHANOMBWCZ-ZDUSSCGKSA-N 336.395 2.518 0 50 EFAA Cc1sccc1CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 332001372 WFZTXRIPFSOXEA-UHFFFAOYSA-N 349.477 2.982 0 50 EFAA CC(C)[C@@H]1CN(Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 71404167 ZBXDHWLGWPQRAO-SFHVURJKSA-N 344.434 2.808 0 50 EFAA O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1noc2c1CCCCC2 156659117 MYHQWOJUQRYBBO-HIFRSBDPSA-N 346.427 2.544 0 50 EFAA O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H]1Cn1cncn1 370989110 AWEORGPEJZGUMP-IJDCCNJMSA-N 333.395 2.531 0 50 EFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)C1 71315652 ZOZZQSWJTLQKAU-UHFFFAOYSA-N 339.317 2.601 0 50 EFAA COc1cc(CNC[C@@H]2CCCN2C)ccc1OCC(F)(F)F 237242650 ZWRAQBNBVRSYKU-ZDUSSCGKSA-N 332.366 2.820 0 50 EFAA C[C@@H](NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccnn1C 447583273 BCUAGAZKQXGRKD-OCCSQVGLSA-N 341.377 2.941 0 50 EFAA COc1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1O 449420188 IXEMKSLKWBJPND-VQIMIIECSA-N 331.387 2.701 0 50 EFAA CCc1nc(NCCCN2CCOCC2)c2cc(CC)sc2n1 41090091 RSAKZWLCBFILLM-UHFFFAOYSA-N 334.489 2.950 0 50 EFAA NC(=O)[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1 171119913 PRMCJPYDSFIMCS-GOSISDBHSA-N 341.386 2.981 0 50 EFAA Cn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cccc1=O 239366887 AGOINWHXHCERAN-GOSISDBHSA-N 332.831 2.989 0 50 EFAA c1ccc2sc([C@@H]3COCCN3c3ncnc4n[nH]cc34)nc2c1 337000722 TVGCBZAHYITGGN-LBPRGKRZSA-N 338.396 2.541 0 50 EFAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1Cc2ccccc2C2(CCC2)C1 375983000 FGNWSEMMDHZGCC-HNNXBMFYSA-N 337.423 2.991 0 50 EFAA CN(c1cccnn1)S(=O)(=O)c1c(Cl)ccc2scnc12 241139441 JQXVTRJERKHZHB-UHFFFAOYSA-N 340.817 2.565 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1364460316 XHVREPLFVRLVAB-DLBZAZTESA-N 347.846 2.669 0 50 EFAA CCc1ocnc1C(=O)N1CCN(c2cncc3ccccc23)CC1 281814078 KUJHTMJIBINKNZ-UHFFFAOYSA-N 336.395 2.748 0 50 EFAA Cc1nc(C)n(CCCNC(=O)Cc2ccccc2C(F)(F)F)n1 223260354 KEVAXZJEVXQVFX-UHFFFAOYSA-N 340.349 2.663 0 50 EFAA O=C(NCc1cnc2cnccn12)c1csc(-c2ccccc2)n1 426362082 SPECPWZWBFLILQ-UHFFFAOYSA-N 335.392 2.783 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COC2CCC(C)CC2)c1 282511369 NYLXSNDYOOLDBO-VHHHDHQQSA-N 347.455 2.925 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COc2ccccc2F)c1 282514474 OEFVOMLEAGMRHK-RHSMWYFYSA-N 345.370 2.548 0 50 EFAA CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1CCCc2ccccc21 47442346 VEHUTJZOEJISPY-IBGZPJMESA-N 347.422 2.741 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(C)cc1Cl 286422097 SBMXNALPAZEQFE-KBRIMQKVSA-N 337.847 2.959 0 50 EFAA CC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[nH]c(C)n2)C1 91518595 PFTSQLMMOMBMNE-IBGZPJMESA-N 331.460 2.996 0 50 EFAA CCCc1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)n(C)n1 95352488 MPADMIJXGKCVLE-CQSZACIVSA-N 327.428 2.744 0 50 EFAA CC[C@@]1(CO)CCCN(c2ccc(Cn3nc(C)cc3C)cn2)C1 91746839 MZZYVFXXBGXEFV-LJQANCHMSA-N 328.460 2.932 0 50 EFAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(CCCc1cccnc1)C2 95381027 YYJKVPWUKCOXSK-YLJYHZDGSA-N 338.407 2.577 0 50 EFAA O=C(CCc1ccco1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91818488 UPXGARKPQZQWTR-FQEVSTJZSA-N 344.455 2.853 0 50 EFAA O=C(CCCc1cccs1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91676909 PDWJGGUEHVUMLK-JKSUJKDBSA-N 346.496 2.930 0 50 EFAA Cc1n[nH]c([C@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)n1 244724473 MUVSYXPRIZLVJP-KRWDZBQOSA-N 336.443 2.738 0 50 EFAA CCc1nocc1CN(C)C(=O)Cc1csc(-c2ccccn2)n1 294016313 MRLMZVMHHXLMNJ-UHFFFAOYSA-N 342.424 2.957 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@H](c1ccc(F)cc1)C1CCCC1 294487309 YCNCXINTQFXGTN-AEFFLSMTSA-N 348.418 2.722 0 50 EFAA Cc1cccc2c1CC(C)(C)N(S(=O)(=O)c1cn(C)nc1C)C2 295837075 VZVZWUOJYJRNML-UHFFFAOYSA-N 333.457 2.563 0 50 EFAA CC(C)c1nnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)s1 299005309 NAAXXWNKHVHWBU-LLVKDONJSA-N 348.428 2.888 0 50 EFAA Cc1cccc(C)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 296845075 FKYBQWQLSLJYFF-OAHLLOKOSA-N 348.443 2.669 0 50 EFAA COC(=O)C[C@H](c1c(O)ncc(C(=O)OC)c1O)C1CCCCC1 252489159 JIKCHNCMGLWWPH-NSHDSACASA-N 337.372 2.506 0 50 EFAA biogenic CC(C)Cn1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c2ccccc21 299749869 LXAPJTRLMMEJKA-AWEZNQCLSA-N 344.411 2.613 0 50 EFAA CCCc1noc([C@H](C)NC[C@@H]2CCO[C@H]2c2cnn(CC)c2)n1 299754072 WFZPPLRNZOIXMK-HEHGZKQESA-N 333.436 2.667 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N1CCCN(c2ncccn2)CC1 370714032 FKRRPSZMNZRKLC-UHFFFAOYSA-N 348.809 2.551 0 50 EFAA C[C@H](Cn1cncn1)C(=O)NCCc1ccc(Cl)cc1Cl 827628043 MLLIYXKDJYMTNV-SNVBAGLBSA-N 327.215 2.580 0 50 EFAA CN(C)CC[C@H](NC(=O)NCC1(O)CCCCC1)c1ccccc1 584898412 IBFFSIGLGZGHIU-KRWDZBQOSA-N 333.476 2.674 0 50 EFAA COc1cc2ncn([C@H](C)c3cccc(C)n3)c(=O)c2cc1OC 584900623 STPHMQXMCICABN-GFCCVEGCSA-N 325.368 2.726 0 50 EFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CCc2ccnn2C)c1 952967235 HFVZDMAHCOKPRN-CYBMUJFWSA-N 326.400 2.507 0 50 EFAA CC1=C(C(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)OCCO1 952968815 NYBBQNYNRLGPAH-SFHVURJKSA-N 344.455 2.826 0 50 EFAA Clc1ccc(-c2noc(CCN3CC[C@H](c4nc[nH]n4)C3)n2)cc1 408524898 OGUDYSORVWOCRV-LBPRGKRZSA-N 344.806 2.540 0 50 EFAA Cc1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1 274058392 DCQPLQZKCBMWKJ-ZDUSSCGKSA-N 346.290 2.767 0 50 EFAA Cn1ccnc1[C@H]1OCCC[C@@H]1Nc1cnc2cc(F)c(F)cc2n1 275448089 GIMQVWBYYGIQSM-LRDDRELGSA-N 345.353 2.974 0 50 EFAA COc1ccc2oc(CNC3CCN(c4cccnn4)CC3)cc2c1 277627985 KQFCBRSYAYPLJN-UHFFFAOYSA-N 338.411 2.990 0 50 EFAA COc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1Cl 665651725 FTLBLDDIHPXZPB-BLLLJJGKSA-N 349.818 2.590 0 50 EFAA CCN1C(=O)[C@]2(NC(C)(C)C(=O)N2CC2CCCC2)c2ccccc21 639422511 QSUHHYCBSSSFII-FQEVSTJZSA-N 341.455 2.607 0 50 EFAA Cc1ccc(F)c(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 648160580 ACOXDJVAEDAXSE-UHFFFAOYSA-N 342.418 2.621 0 50 EFAA COC[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccn1 1506423345 HSRVSMKOZBBRDT-OAHLLOKOSA-N 328.412 2.696 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3cccc(C)c3)N2)cc1 528865 RWZFDFGDZXPTLO-MRXNPFEDSA-N 336.395 2.599 0 50 EFAA C[C@@H](C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)c1ccc(O)cc1 1772818340 QNMMYPJOLLYOHJ-CQSZACIVSA-N 340.423 2.601 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC(C)C 4505533 YQNCKDMWUYNYSW-OAHLLOKOSA-N 347.411 2.541 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 4776621 RQBNWDBAZXJAIT-LBPRGKRZSA-N 345.424 2.999 0 50 EFAA Cc1ccccc1NC(=O)COc1ccccc1CNC(C)(C)CO 4867365 CLUVDKBXLNYDMU-UHFFFAOYSA-N 342.439 2.873 0 50 EFAA CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1 3501817 YPBIJVMLCKCOMQ-UHFFFAOYSA-N 345.472 2.711 0 50 EFAA Cc1ccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)nc1 1857711243 PJVAFNWWKNNNNQ-XYJFISCASA-N 326.444 2.924 0 50 EFAA Clc1ccc([C@H]2CN3C[C@@H](NC4CCOCC4)C[C@H]3CO2)cc1 1857714866 PTVUHFNIHMBDKR-OKZBNKHCSA-N 336.863 2.623 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 328615159 XXLFMWBNRKTCAP-WCQYABFASA-N 341.367 2.635 0 50 EFAA Cc1noc2ncnc(N(C)C3CCN(CCC(F)(F)F)CC3)c12 649565868 GLBCJXUKCXMIQF-UHFFFAOYSA-N 343.353 2.779 0 50 EFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1 130932281 MJZHLQQTEJPRNL-KBPBESRZSA-N 338.835 2.831 0 50 EFAA COc1cccc([C@H](NC(=O)c2cc(C(C)(C)C)on2)C(=O)O)c1 659173149 BNSZRBSFWLOWMH-AWEZNQCLSA-N 332.356 2.536 0 50 EFAA CC[C@H](C(=O)O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 911122769 AOBCBIYWJHSQRU-HNNXBMFYSA-N 338.835 2.531 0 50 EFAA Cc1nc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(C)o1 497012527 BCARMPAEXXMCDB-UONOGXRCSA-N 349.431 2.763 0 50 EFAA Cc1nc(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)cs1 163360065 NKZIHRKEBPGRQV-UHFFFAOYSA-N 333.432 2.591 0 50 EFAA Cc1cccc(Cn2cc(CN3CCCC3=O)nn2)c1Br 900607489 LUPWQGYQBHDRHU-UHFFFAOYSA-N 349.232 2.520 0 50 EFAA Cc1nc2ccc(NS(=O)(=O)c3ccnn3CC3CCC3)cc2[nH]1 903615062 QVYGPMODQWDFBT-UHFFFAOYSA-N 345.428 2.669 0 50 EFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc4ccccc4cn3)CC2)C1 1704306482 UZTICBQMLJNINY-LJQANCHMSA-N 340.423 2.771 0 50 EFAA Cc1nc(CC(=O)Nc2c(Br)c(C)nn2C)c(C)s1 905833444 KJQCTMHUSUHMIZ-UHFFFAOYSA-N 343.250 2.746 0 50 EFAA Cc1cc(CN2CCN(Cc3cnc(-c4ccccc4)o3)CC2)on1 929102556 QAFYYVFUOMSTHJ-UHFFFAOYSA-N 338.411 2.956 0 50 EFAA C[C@@H](CNC(=O)c1cc(-c2ccccc2)ccn1)N1CCCCC1=O 935577089 HSKQNJTWQLJUEI-HNNXBMFYSA-N 337.423 2.879 0 50 EFAA CSc1ccc([C@@H](CNc2ncnc3cnn(C)c23)N(C)C)cc1 1875294911 PLTRVIGXBYDJLW-OAHLLOKOSA-N 342.472 2.800 0 50 EFAA COCc1nccc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 894381303 DSNBJWKICOYBKW-QGZVFWFLSA-N 333.819 2.764 0 50 EFAA O=C(O)[C@H]1C[C@](O)(C2CCN(Cc3cccc4c3CCC4)CC2)C1 2325787301 QQUQMIINVVBGRS-MOBUCQHHSA-N 329.440 2.613 0 50 EFAA NCc1ccc(C(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)s1 2325855942 VRLPAZFIKIPADB-UHFFFAOYSA-N 338.795 2.806 0 50 EFAA O=C(O)CNC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1 395736 FYJSYYARAFIWGJ-UHFFFAOYSA-N 333.771 2.662 0 50 EFAA Cc1nc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc(C)c1C 2356167973 KQQRKGWZHRFSEC-RTBURBONSA-N 338.455 2.664 0 50 EFAA Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 2866512 ZYODIQRMHJSTLJ-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA COc1cccc(CNCc2ccco2)c1OCC(=O)NC(C)(C)C 4999695 RZAZLALCJQVAPC-UHFFFAOYSA-N 346.427 2.872 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 10112434 UWKDUGVRKGOQJG-UHFFFAOYSA-N 330.409 2.651 0 50 EFAA CC(C)NC(=O)CCNC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 413086635 SEKQFUKOVQQPTD-QGZVFWFLSA-N 343.471 2.880 0 50 EFAA COc1ccc(CN(CC(C)C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 55343461 WJZMNTXNLDBNMZ-QGZVFWFLSA-N 346.471 2.937 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)N3[C@H]4CC[C@@H]3CC(=O)NC4)c(C)c2c1 67726421 SPEWCQABBABSJK-KGLIPLIRSA-N 325.412 2.586 0 50 EFAA COCC(=O)Nc1ccccc1-c1cccc(CN2CCOCC2)c1 67935261 CBAKJDQQZMCXFZ-UHFFFAOYSA-N 340.423 2.771 0 50 EFAA C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCOCC1 170592232 LZDAGPUPIVEWOI-OAHLLOKOSA-N 345.487 2.611 0 50 EFAA CC(C)c1cncnc1N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67643689 DOIDSSNNBQMDGX-GOEBONIOSA-N 341.411 2.684 0 50 EFAA Cc1ncoc1C(=O)N1CCC[C@@](CO)(CCc2ccccc2)C1 12304106 VPTATLWZVFEXHF-LJQANCHMSA-N 328.412 2.831 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 253370936 YLLOERLVPRAKIW-KSZLIROESA-N 339.366 2.967 0 50 EFAA CN1CC[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cccnc1 328623190 BRWWDTDZOZFABB-KSSFIOAISA-N 328.485 2.809 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C[C@@H]3CCc4ccccc43)o2)N(C(C)=O)C1 328646498 SOUUMSVAGRZLPW-YQQAZPJKSA-N 341.411 2.650 0 50 EFAA Cc1occc1-c1nnc(SCc2nnn[nH]2)n1-c1ccccc1 6709527 UKBPQTNKTBKARD-UHFFFAOYSA-N 339.384 2.641 0 50 EFAA CCc1nn(C)cc1CN(Cc1nccs1)[C@H]1CC12CCNCC2 328629064 HWKHIJFLHQFERJ-INIZCTEOSA-N 345.516 2.583 0 50 EFAA C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[S@@](=O)c1ncccc1Cl 170667533 JHONLDPYQYVSHF-FKQSZABXSA-N 328.865 2.880 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)Nc2nnc3ccccn23)c2ccccc21 363109181 NHTGDIIXHRTMCT-CQSZACIVSA-N 349.394 2.598 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H]1Cn1cccn1 257365649 DLHSRDCNGNGWIC-JYJNAYRXSA-N 344.463 2.542 0 50 EFAA COCc1nnc(NC(=O)Cn2ccc3c(Cl)cccc32)s1 31811176 CZMJUOYUEHGVOP-UHFFFAOYSA-N 336.804 2.931 0 50 EFAA C[C@@]1(c2ccccc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 8670576 OBGAHUXKCOFNDS-PBHICJAKSA-N 340.477 2.728 0 50 EFAA CC1(C)CN(Cc2ccc(Cl)c3cccnc23)CCS1(=O)=O 155223123 ZUSUYBBLJVBHHE-UHFFFAOYSA-N 338.860 2.897 0 50 EFAA O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)NC2CCOCC2)C1 123992491 ZLKAFOUMMPUUGE-AWEZNQCLSA-N 334.391 2.609 0 50 EFAA CSc1nc(C(=O)NCCc2noc(C3CCCC3)n2)cs1 215053487 HISDKFQCCONZCJ-UHFFFAOYSA-N 338.458 2.878 0 50 EFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(-c2ccncc2)n[nH]1 71730501 AJNAABRVYQFSHL-OAHLLOKOSA-N 347.422 2.823 0 50 EFAA CS(=O)(=O)c1ccc(C(=O)Nc2nccc3sccc23)cc1 156025035 VBLDVQVHJKPXRW-UHFFFAOYSA-N 332.406 2.952 0 50 EFAA O=S(=O)(c1ccc(C(F)F)cc1)N1CCC[C@@H]1c1ncc[nH]1 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COC(=O)N1CCC([C@@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1 252490832 LCLXGGCDKMHMMS-LLVKDONJSA-N 349.431 2.532 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC[C@H]1CN1CCOCC1 241126029 JJAJHWCONAUWFT-CGTJXYLNSA-N 346.446 2.643 0 50 EFAA O=C(O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 34927214 SYRJWSLECOXZJB-UHFFFAOYSA-N 325.777 2.851 0 50 EFAA O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1sccc1F 338720287 JWPISPNUDPJZGV-NSHDSACASA-N 325.386 2.536 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)N(C)Cc1ccccc1OCC(=O)O 216509583 OIUBXEGGDFPMEP-CYBMUJFWSA-N 331.416 2.693 0 50 EFAA COc1ccc(OC)c(CCC(=O)N2CCC[C@@]3(CCOC3)C2)c1 456708075 GNALELUZINMOEL-LJQANCHMSA-N 333.428 2.666 0 50 EFAA O=C(NCc1ccn(C2CCCC2)n1)N1CCC[C@H](c2ccn[nH]2)C1 152319309 GUBGPPZQEWERAY-AWEZNQCLSA-N 342.447 2.811 0 50 EFAA Cn1c(CCNC(=O)c2ccccc2[C@H]2CCNC2)nc2ccccc21 72121780 IMONQEVXHKTOEC-HNNXBMFYSA-N 348.450 2.623 0 50 EFAA C[C@]12CCCN1C(=O)N([C@H]1CCN(c3ccc(Cl)cc3)C1)C2=O 253420145 HHGMNSJJNWMRTN-WMLDXEAASA-N 333.819 2.735 0 50 EFAA Cc1noc(C)c1S(=O)(=O)Nc1cncnc1-c1ccccc1 253426061 GYOAPDSUFRWFKW-UHFFFAOYSA-N 330.369 2.549 0 50 EFAA Cn1ccc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)n1 253415594 GQXXLQCJRDVKAQ-CYBMUJFWSA-N 349.276 2.799 0 50 EFAA COc1cc2c(cc1-c1nccn1CCN1CCCOC1=O)CCC2 72119545 ZYFMASUQUWQDMR-UHFFFAOYSA-N 341.411 2.890 0 50 EFAA Cc1ccc(-c2noc(CCCN3CC[C@H](O)C3(C)C)n2)cc1F 361426046 KXACNYODXDCKRS-HNNXBMFYSA-N 333.407 2.962 0 50 EFAA Cn1cc(N2CCC[C@@H](NC(=O)c3cccc(Cl)c3F)C2)cn1 156551522 UWPIQNBTJWSADX-LLVKDONJSA-N 336.798 2.611 0 50 EFAA COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3C)c1OC(C)C 72140706 KGMNXBXMILVCRI-CYBMUJFWSA-N 329.400 2.998 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 158932208 AOPQYOBOJIQHPG-CQSZACIVSA-N 345.468 2.794 0 50 EFAA COc1cccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 49543560 BROMIALSLSGBIE-UHFFFAOYSA-N 349.390 2.700 0 50 EFAA biogenic CN(C)C(=O)N1CCC[C@@H](C(=O)NCCCSc2ccccc2)C1 47991646 WBSWDLBUQRSVIJ-OAHLLOKOSA-N 349.500 2.679 0 50 EFAA CCn1ccc(-c2cc(C(=O)O)n3nc(-c4ccccc4)cc3n2)n1 20615922 VSLXZHZYHUAUPR-UHFFFAOYSA-N 333.351 2.978 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccc(O)cc1F 291022600 FNHPHSIRXRUYLF-GFCCVEGCSA-N 332.350 2.927 0 50 EFAA O=C(CC1CCN(Cc2ccccc2)CC1)N[C@H]1C[C@@H]2OCC[C@H]12 222496362 FIUQBRLVJTUAJF-QYZOEREBSA-N 328.456 2.582 0 50 EFAA CC(=O)N[C@H](CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C)cc1 229754626 TVDVVSQNLYNFKC-KFKAGJAMSA-N 345.487 2.503 0 50 EFAA c1ccc(CN2CCC3(CC2)CCN(c2nccn4cnnc24)C3)cc1 292845923 VRUZNUTUJNDCIH-UHFFFAOYSA-N 348.454 2.617 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N2CCC(CCN3CCCC3)CC2)n1 426624772 NUFPBDHTIQLSDW-SFHVURJKSA-N 344.503 2.991 0 50 EFAA CC(=O)NCCOc1ccc(-c2ncnn2-c2ccccc2F)cc1 91468500 RNEVLAFQGMFBMP-UHFFFAOYSA-N 340.358 2.588 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2C)C[C@H]1C 91650272 VMGBNOKLLWBLIY-CXAGYDPISA-N 325.836 2.898 0 50 EFAA CSCc1nc(CCNC2CCN(c3ncccn3)CC2)cs1 95511952 UIDMNFAXPYLDTK-UHFFFAOYSA-N 349.529 2.597 0 50 EFAA CC(C)Cn1cncc1CNC(=O)c1cc(-c2ccccc2O)n[nH]1 91624749 RVYFEWCLIAAHET-UHFFFAOYSA-N 339.399 2.565 0 50 EFAA CN(C)c1nc(Cl)c(-c2cn(Cc3cc(C4CC4)[nH]n3)nn2)s1 91254587 CGKXRLHBYQYUTH-UHFFFAOYSA-N 349.851 2.770 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1cc(C)ccc1OCC(N)=O)C2 95498335 ANUPECMPHQSOSC-CQSZACIVSA-N 341.407 2.662 0 50 EFAA Cc1cc2cc(C(=O)NC3CCN(c4cnccn4)CC3)ccc2o1 91808570 RZUWNXNUMDGPCH-UHFFFAOYSA-N 336.395 2.930 0 50 EFAA CO[C@H](CNC(=O)CCc1n[nH]c2c1CCCC2)c1cccs1 97570915 ZHYPVFYUYVURHX-OAHLLOKOSA-N 333.457 2.787 0 50 EFAA CCCn1cc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)c(C)n1 95388788 MACSFQRXSQELOA-AWEZNQCLSA-N 343.427 2.591 0 50 EFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 237682851 JFJMYBGZXDYBNI-HOJAQTOUSA-N 343.515 2.669 0 50 EFAA CC[C@@H](NC(=O)c1ccc(Br)cc1OC(C)C)C(=O)O 236960599 QQXZPVWXKFGFSF-LLVKDONJSA-N 344.205 2.829 0 50 EFAA O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@](CO)(CC2CC2)C1 91737818 MSYFQLSKPXAIIT-KRWDZBQOSA-N 341.448 2.530 0 50 EFAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 268985124 PEHIGDSEDPCYSQ-LBPRGKRZSA-N 335.743 2.526 0 50 EFAA CC(C)c1nc(CCN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cs1 182762442 QIRNSSZQDOIJIH-KGLIPLIRSA-N 330.519 2.754 0 50 EFAA Cn1ccc2ccc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc21 252522962 BNFWMEITEAMURT-GPMSIDNRSA-N 335.407 2.815 0 50 EFAA O=C(O)c1coc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1 183800790 HSIHEAOBOIHBJK-AWEZNQCLSA-N 329.352 2.657 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCc1nc(C2CC2)no1 299746970 BQBKFTVBHVFMMR-MJBXVCDLSA-N 347.415 2.514 0 50 EFAA CCCSCCNC(=O)N1CCCN(c2ccncc2C)CC1 534590785 ZCDLQUJAEXKEBD-UHFFFAOYSA-N 336.505 2.755 0 50 EFAA Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)O)on1 299765453 HBCOJCNRFOGHMY-LBPRGKRZSA-N 349.412 2.908 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cc3cc(C)ccc3n1C)CC2 299799906 VTBBCWNBORFYRE-YZGWKJHDSA-N 328.456 2.991 0 50 EFAA Cc1c(C(=O)NC2(C(N)=O)CCCCCC2)n(C)c2ccccc12 299791419 FIXSLAIGUQHCJD-UHFFFAOYSA-N 327.428 2.795 0 50 EFAA Cn1nc(C(=O)O)c2c1CCN(Cc1ccc([C@@H]3CCCCO3)o1)C2 828571144 ISBVWEZFCIIDRN-HNNXBMFYSA-N 345.399 2.511 0 50 EFAA Cc1nc(S(=O)(=O)N[C@H](CC(C)(C)C)c2cccnc2)cn1C 825636496 PSIWLCYLYUJQKD-CQSZACIVSA-N 336.461 2.579 0 50 EFAA CO[C@H]1COC[C@@H]1n1cnc2cc(-c3ccccc3)sc2c1=O 584887126 DPAMXQUKZLHXFQ-KBPBESRZSA-N 328.393 2.711 0 50 EFAA CC[C@@H](NC(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(C)n1 584885036 KSMFMPVKKQUFTH-MRXNPFEDSA-N 344.459 2.638 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCCCn2ccnc2C(C)C)n1 670473481 UJHAHXOGMSLSGY-UHFFFAOYSA-N 331.464 2.807 0 50 EFAA CC(=O)N1CCC(N2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 584904391 BFRAASKCBXSFQW-PMACEKPBSA-N 333.520 2.726 0 50 EFAA COCCc1nc([C@@H]2CCCO2)n(-c2cc(Cl)ccc2OC)n1 670439889 MMJHFHUOHINAOJ-AWEZNQCLSA-N 337.807 2.970 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)Cc2ccccc2C)C3)o1 952851493 LUNFZFQDBCLHAM-LPHOPBHVSA-N 325.412 2.809 0 50 EFAA COC(=O)/C=C/CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 1875273146 BJGGYWXTUOTXCG-ZZXKWVIFSA-N 327.302 2.582 0 50 EFAA CC(C)N(C)C(=O)[C@@H]1CCCN(c2nc3c(F)cccc3n2C)C1 1875257886 TWCOKVDBTAKBLE-CYBMUJFWSA-N 332.423 2.796 0 50 EFAA COCCN(CCNC(=O)[C@H](F)c1ccccc1)Cc1ccccc1 1875317484 YVTSGWGQCJDFHQ-LJQANCHMSA-N 344.430 2.962 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cccc(-c3cccnc3)c2F)cn1 1875381837 IZYQLAVVCNWRAO-UPCLLVRISA-N 338.386 2.884 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1cc(-c2ccccc2)ncn1 1875398984 KUOCIQMBRHORKX-ZTFGCOKTSA-N 335.411 2.592 0 50 EFAA C[C@H]1CN(c2ccc(F)cn2)CCN1c1nc(C(F)(F)F)ns1 1875310288 LOYYIGOLTXNWJX-QMMMGPOBSA-N 347.341 2.806 0 50 EFAA CC1(C)[C@@H](CNC(=O)[C@H](C2CC2)N2CCOCC2)[C@@H]1c1ccccc1 1875391867 NUNFWRKECLTWGW-FHWLQOOXSA-N 342.483 2.653 0 50 EFAA O=C(c1ccc[nH]1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565529211 CZTUNMFQIQOTBU-QAPCUYQASA-N 335.451 2.719 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)/C=C/c1cc(CO)cs1 952977542 KFZSERPSVORAQA-VOTSOKGWSA-N 333.457 2.685 0 50 EFAA C[C@H]1Cc2cc(NC(=O)c3ccc4c(c3)N(C)C(=O)CO4)ccc2O1 885593539 BDYXBNLPRJCUMU-NSHDSACASA-N 338.363 2.618 0 50 EFAA O=C1CCN(C(=O)c2ccc(Br)cc2)c2cnccc2N1 1775961984 MCBDOVPWASOGPF-UHFFFAOYSA-N 346.184 2.833 0 50 EFAA Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 275695460 IZCAGGJZAWPMLU-WMLDXEAASA-N 340.423 2.657 0 50 EFAA Cc1ccc([C@@H]2CCCCCN2C(=O)c2cn([C@H]3CCOC3)nn2)o1 408332825 ZCILZUYXMPDDLE-HOCLYGCPSA-N 344.415 2.898 0 50 EFAA CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc3ncccc3c2)CCO1 408453058 SKXXYERWYCTGCK-INIZCTEOSA-N 334.441 2.670 0 50 EFAA O=C(NCCCNCc1cccnc1)c1cc(F)c(F)cc1Cl 170676297 RPEBRAJQEIKJPP-UHFFFAOYSA-N 339.773 2.923 0 50 EFAA CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(c3ccncc3)=NO2)CCO1 170611288 OYSATSBMVGDPBW-SZMVWBNQSA-N 345.443 2.675 0 50 EFAA Cn1cc([C@@H](NCCc2cn3ccccc3n2)c2ccccc2)cn1 225667410 MRKHJOZLRVDXAG-FQEVSTJZSA-N 331.423 2.990 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COc2ccc(F)cc2)c1 225740754 VMQYPOBFUAGRBB-CRAIPNDOSA-N 345.370 2.548 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cnns2)C1 171012193 XUHYSGHDDVELJY-LLVKDONJSA-N 336.848 2.756 0 50 EFAA Cc1cc(C(=O)NC2CCN(C(=O)c3ccsc3)CC2)c(C)o1 171291221 WAQRRMYVZBQNAU-UHFFFAOYSA-N 332.425 2.993 0 50 EFAA COc1cccc([C@H](C)N2CCN(C(=O)c3ncoc3C)CC2)c1 171586034 CWZXECUOBCWAEQ-ZDUSSCGKSA-N 329.400 2.511 0 50 EFAA COc1ccccc1CCN(C)C(=O)[C@@H]1COc2ccccc2C1 171530164 BFOXBQMFZFYOLI-KRWDZBQOSA-N 325.408 2.947 0 50 EFAA Cc1cc(Br)cnc1NC(=O)[C@H]1CCc2cnn(C)c2C1 281120508 CNWYWNMDATZPMU-JTQLQIEISA-N 349.232 2.630 0 50 EFAA O=C1NCCCC[C@H]1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 187963708 LPZZVMFQEFJPMJ-CYBMUJFWSA-N 340.345 2.522 0 50 EFAA Cc1ccc(Cl)cc1CNC(=O)Nc1cnn(-c2ncccn2)c1 187920982 XUFPEPCRJYLAHI-UHFFFAOYSA-N 342.790 2.946 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)N[C@H]2C=CCCC2)C1 190726165 BKNZVMNQEGKFGT-MSOLQXFVSA-N 328.460 2.654 0 50 EFAA Cc1oc(CN(C)C(=O)c2cccc(OC(C)C)n2)cc1C(=O)O 190886480 RBXQXIHIVAVZES-UHFFFAOYSA-N 332.356 2.741 0 50 EFAA CCn1c(CN(C)CCN2C[C@H](C)O[C@H](C)C2)nc2c(F)cccc21 195321078 OCEWHBTWUFSLKD-GASCZTMLSA-N 348.466 2.736 0 50 EFAA CCn1nccc1C(=O)N1CCC(c2ccccc2C(=O)O)CC1 653556406 HKYNWAWJVQTLRO-UHFFFAOYSA-N 327.384 2.621 0 50 EFAA Cc1cc(C)c(CC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(C)c1 1529152789 XXBNRMIUCDBVFJ-FGTMMUONSA-N 342.483 2.870 0 50 EFAA Nc1ncc2c(n1)[C@@]1(CCCN(c3ccc(C(F)(F)F)cn3)C1)CC2 1704345054 VAOSQSBJTHTFAQ-INIZCTEOSA-N 349.360 2.957 0 50 EFAA CC(C)CN1C[C@@H]2CN(CCCn3cccc3)C[C@@]2(CCC(=O)O)C1 1772817774 WZBWVAQZCMRRCC-ICSRJNTNSA-N 347.503 2.633 0 50 EFAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 12380491 PTUNWFFYRXJMLY-AWEZNQCLSA-N 345.830 2.851 0 50 EFAA CCCC[C@@H]1CN(CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 14887448 YQTQFULRFZQOOT-QZTJIDSGSA-N 346.471 2.593 0 50 EFAA COc1ccc(OC)c(CN[C@@H]2COc3c(cccc3OC)C2)c1 15063538 UMYQFVIJKAYDSA-HNNXBMFYSA-N 329.396 2.806 0 50 EFAA CCc1noc(C)c1C(=O)N1CCN(Cc2cccc(F)c2)CC1 16602685 QIZOBOHFJIMQBT-UHFFFAOYSA-N 331.391 2.643 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)cc1 169619154 SSSXWDFMWCJDPQ-NYXISSTPSA-N 325.364 2.597 0 50 EFAA Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(N)=O)c1-c1ccccc1 1053956 JSVVSUGPYWOVNG-LBPRGKRZSA-N 330.409 2.940 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C 14401441 NNCVRFIYUUXZLR-UHFFFAOYSA-N 339.395 2.511 0 50 EFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1N 470644 QZNWCSWJOCOBJF-CHWSQXEVSA-N 345.472 2.541 0 50 EFAA NC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 2879597 RHDKPSJUZXTTBS-UHFFFAOYSA-N 336.435 2.809 0 50 EFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCc1nc2ccccc2[nH]1 1857675482 AKEPEERBDMSZOB-CRFBAAHOSA-N 327.428 2.648 0 50 EFAA CCc1csc([C@H]2CCCN(C(=O)NCc3ccnc(C)n3)C2)n1 113599774 HWYQMUDJWJLPGM-ZDUSSCGKSA-N 345.472 2.893 0 50 EFAA N[C@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 158317695 BVJZBUGKTGLHDJ-LBPRGKRZSA-N 341.249 2.558 0 50 EFAA CC(C)(C)c1ccc(NC(=O)CN2CCC[C@H]2c2nc[nH]n2)cc1 931138949 RYCQJEYLMMYOFC-HNNXBMFYSA-N 327.432 2.878 0 50 EFAA Cc1cc(=NC(=O)N[C@H](C)c2nc(-c3cccs3)n[nH]2)cc(C)[nH]1 2325781522 ASGZSEYIJYCPQZ-LLVKDONJSA-N 342.428 2.850 0 50 EFAA COc1ccc2nc(NC(=O)CNC(=O)C3CCCCC3)sc2c1 92077 IZLWIUIVLFTTFS-UHFFFAOYSA-N 347.440 2.940 0 50 EFAA NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 184351 COXRFHIQGSYHAX-UHFFFAOYSA-N 332.285 2.613 0 50 EFAA Cc1cc(C)nc(NC(=O)COc2ccc(Br)cc2)n1 250519 LXJRKUDFMXWDKV-UHFFFAOYSA-N 336.189 2.873 0 50 EFAA CCCn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 470430 XWLVNPMOOSYCGI-UHFFFAOYSA-N 344.600 2.751 0 50 EFAA COc1ccc(-c2onc(N[C@H](C)c3cnn(C)c3)c2C(=O)O)cc1 2356154568 AKJQBPHHZLBOMV-SNVBAGLBSA-N 342.355 2.955 0 50 EFAA CCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O 2837006 OTWZGNZXZAETPD-UHFFFAOYSA-N 327.340 2.631 0 50 EFAA CCCOc1ccc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)cc1 2356167824 DNLRWPIVTKQJDK-LJQANCHMSA-N 330.428 2.702 0 50 EFAA Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1 2994581 PMDDKBPXJSGLNY-UHFFFAOYSA-N 332.787 2.782 0 50 EFAA aggregator Cc1cc(Br)c2c(c1)[C@](O)(N1CCCC[C@@H]1C)C(=O)N2 4199335 JOHVBSNOQSCAAQ-ZUZCIYMTSA-N 339.233 2.729 0 50 EFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2 4513119 ULNPYTFCNQGPQG-UHFFFAOYSA-N 337.335 2.738 0 50 EFAA COc1ccc(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4701853 ZDVBEJSAKORDPK-WEVVVXLNSA-N 325.364 2.796 0 50 EFAA biogenic,in-vitro COC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 4998765 WVXRLPRHRVEBLW-UWVGGRQHSA-N 345.226 2.815 0 50 EFAA CCn1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cn1 6698528 UYAIJKKNHJTGKJ-UHFFFAOYSA-N 344.234 2.775 0 50 EFAA COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 6730137 UBUAVLPUYDHRDW-UHFFFAOYSA-N 337.379 2.946 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2C)cc1 10314170 NORKWXBMVMUOFX-UHFFFAOYSA-N 344.436 2.996 0 50 EFAA CCCN1CCC(CC(=O)N(Cc2ccccn2)[C@H](CC)CO)CC1 55385451 LBSPYVGGPPLUTN-LJQANCHMSA-N 347.503 2.693 0 50 EFAA CCNC(=O)[C@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C1 67847320 MJXXQHYGCOIVHO-HNNXBMFYSA-N 327.428 2.916 0 50 EFAA Cc1cccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)c1C 246678219 CBBFGNJPYFEVEL-YUTCNCBUSA-N 342.361 2.938 0 50 EFAA CC[C@@H](CO)N(Cc1cccs1)C(=O)c1cnc2ccccn12 65425164 LADCPIIIMLQECX-ZDUSSCGKSA-N 329.425 2.809 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc2c(c1)OCCO2 247864256 XANRKCUGAOEXEP-OAGGEKHMSA-N 331.412 2.764 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)NCC1CCC(C(=O)O)CC1 20723789 OAZBJWHVPCKLEU-UHFFFAOYSA-N 332.375 2.788 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2ccncc2Cl)C1)c1ccc[nH]1 67560287 FCJZDMMYNJPNRK-CYBMUJFWSA-N 332.835 2.705 0 50 EFAA C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N2CCCC2)on1 11814840 DMVYGSJVXIGFNF-GFCCVEGCSA-N 328.368 2.986 0 50 EFAA CCOC(=O)C(C)(C)N(C)C(=O)Cc1csc(-c2ccccn2)n1 351939182 ZLHUENXUTCJBLV-UHFFFAOYSA-N 347.440 2.548 0 50 EFAA c1csc(Cn2cccc2CN2CC[C@@H](N3CCOCC3)C2)c1 120962161 HUQMNKJTTJTWQR-QGZVFWFLSA-N 331.485 2.504 0 50 EFAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 170606471 SHVBJDSODCFNHI-YQQAZPJKSA-N 340.427 2.859 0 50 EFAA O=S(=O)(CCc1cccs1)NCc1ccccc1-n1ccnc1 252507445 WMCDKMOJSZOSMT-UHFFFAOYSA-N 347.465 2.596 0 50 EFAA CCC(=O)N[C@@H]1CCCN([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 229685699 RVPLOVBIANNXRN-GDBMZVCRSA-N 338.835 2.545 0 50 EFAA CC(C)c1cc(Br)ccc1NC(=O)N[C@@H]1CNC(=O)C1 356222538 PMZNSOUPJAHAGO-JTQLQIEISA-N 340.221 2.583 0 50 EFAA Nc1nccc(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)n1 216454483 INTWESMEHAWYCP-UHFFFAOYSA-N 346.818 2.821 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 253431988 ILFAUEPTEDWCER-MGPUTAFESA-N 337.423 2.851 0 50 EFAA COc1cccc([C@H]2CN(C(=O)[C@@H]3CCc4cccnc43)CCO2)c1 333390574 CVHMNIKFYZZHRK-QZTJIDSGSA-N 338.407 2.720 0 50 EFAA O=S(=O)(c1cccs1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 328586845 VZRUFBHZGTZBGP-CABCVRRESA-N 337.466 2.535 0 50 EFAA COc1cccc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 328635766 VBXSBLAKFYCMHU-HKUYNNGSSA-N 339.439 2.855 0 50 EFAA COc1ccc(CN[C@H](c2nc(C)no2)C2CCOCC2)cc1F 328616453 BSKCKHRZCXAENU-INIZCTEOSA-N 335.379 2.783 0 50 EFAA CCCN(CC(=O)O)C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 364195921 OOWPSTOAIARAFX-KRWDZBQOSA-N 332.444 2.673 0 50 EFAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)Cc1ccc(F)cc1Cl 123230505 BWIMJQNOJLLIMM-UHFFFAOYSA-N 349.855 2.693 0 50 EFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-c2cnco2)cc1 77321009 NNYNEMBPROMEAR-INIZCTEOSA-N 342.395 2.800 0 50 EFAA CCOc1cccc(CNC(=O)N2CCSCC2)c1OC(F)F 124970777 SEKDYGMNVMJGQU-UHFFFAOYSA-N 346.399 2.945 0 50 EFAA O[C@@H]1CCN(Cc2ccccc2CNC2CC(c3ccccn3)C2)C1 368031135 RQMKLDGOHIPRSQ-SOAGJPPSSA-N 337.467 2.684 0 50 EFAA Cn1ccc(N2CC[C@@H](Nc3ncnc4c3oc3ccccc34)C2)n1 377725107 IWRCIHCLGWOODM-GFCCVEGCSA-N 334.383 2.800 0 50 EFAA CCOC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77517055 MRKSASHGQMQZBR-UHFFFAOYSA-N 347.463 2.545 0 50 EFAA Cc1ccccc1-c1nc(C(=O)N[C@]2(C(=O)O)CCSC2)cs1 262112709 HZVWIVRBRZOBFV-MRXNPFEDSA-N 348.449 2.809 0 50 EFAA COC[C@@H](O)CN1CCC[C@@H]1c1cc(Br)ccc1OC 171972650 UJFPOXGMMZKHLS-GXTWGEPZSA-N 344.249 2.602 0 50 EFAA CO[C@H](C(=O)N1CCCCC[C@H]1c1cccn1C)c1cnn(C)c1 281327007 SXMVBAXPMGLOSY-IRXDYDNUSA-N 330.432 2.590 0 50 EFAA Cc1nn(C)cc1CC(=O)Nc1cc(-c2ccco2)nn1C(C)C 451294522 HUBDRXAPSVHSLO-UHFFFAOYSA-N 327.388 2.947 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 222887905 CWCXGDJZMULHIE-OAHLLOKOSA-N 337.427 2.782 0 50 EFAA Nc1ccsc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 82157525 WZOHCADFQPPTTE-UHFFFAOYSA-N 341.480 2.646 0 50 EFAA C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 241383222 MTKBJLQYUQCNER-RRFJBIMHSA-N 328.497 2.924 0 50 EFAA O=C1CC[C@]2(CCCN(C/C=C/c3ccccc3)C2)CN1CCCO 85479065 OQRADWPVJNLNSV-ZSIUJALASA-N 342.483 2.787 0 50 EFAA Cc1cc(C)c(NC(=O)CN[C@H]2CCC(=O)NC23CCC3)c(Cl)c1 282748440 JWYDAGLXAXVJTA-AWEZNQCLSA-N 349.862 2.686 0 50 EFAA CC(C)n1cc([C@@H]2CN(C(=O)CC3=CCCCC3)C[C@H]2CO)cn1 284780790 FEDYIDXZIBHNLZ-ROUUACIJSA-N 331.460 2.889 0 50 EFAA Cc1sc2ncnc(N3CCC(Cc4nncn4C)CC3)c2c1C 82120638 IYYQXMZZGCEFJK-UHFFFAOYSA-N 342.472 2.896 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)Cn2nc3ccccc3n2)c(C)s1 223629496 NNQDBICXVCJBPH-JTQLQIEISA-N 329.429 2.724 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2nccn2CC2CC2)C1 82161285 CSUJDVPVGAGXBM-OAHLLOKOSA-N 341.459 2.989 0 50 EFAA CCc1c(C(=O)N2CCC[C@H]([C@@H](C)N)C2)cnn1Cc1ccccc1 237095922 HPIUPZXDZVSGBB-WBVHZDCISA-N 340.471 2.693 0 50 EFAA O=C1N[C@H](C(=O)NCc2ccc3c(c2)CCCC3)Cc2ccccc21 97436998 VGAHVNOXHDEKHS-IBGZPJMESA-N 334.419 2.536 0 50 EFAA CN(C(=O)c1ccccc1S(C)(=O)=O)C1CCC(F)(F)CC1 288937354 JFSJYHFPJSVTDQ-UHFFFAOYSA-N 331.384 2.740 0 50 EFAA N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 97402490 VGTVTGMXCUHQMK-WMZOPIPTSA-N 336.370 2.570 0 50 EFAA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cc(C)ccc1C 20602521 BWNJIKYVWSMJNG-UHFFFAOYSA-N 341.864 2.994 0 50 EFAA Cn1c(=O)c(CN2CCCC[C@H]2CCC(=O)O)cc2ccccc21 97244219 LUKUZFNBDKVJCA-INIZCTEOSA-N 328.412 2.758 0 50 EFAA CN1CCC[C@@H](CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 95374386 OEAHABLUFFAZHJ-KRWDZBQOSA-N 347.478 2.986 0 50 EFAA CCOc1ccc2ccccc2c1CN1C[C@H](CO)[C@H](CN(C)C)C1 92099744 SGZXKYNVFWLSFI-QZTJIDSGSA-N 342.483 2.840 0 50 EFAA Cc1ccc(-c2ccc(NC(=O)NC[C@@H]3CNCCO3)cc2)cc1 97637991 GOZWHZILORJWIB-SFHVURJKSA-N 325.412 2.772 0 50 EFAA COc1ccc(-c2cc(CN3C[C@@]4(CCOC4)CCC3=O)no2)cc1 92062473 ADAVSVTYCPIBDS-IBGZPJMESA-N 342.395 2.879 0 50 EFAA Cn1cnc2c(C(=O)NC3[C@H]4CC[C@H]3Cc3ccccc3C4)ccnc21 290737927 YPVQSTYGFPIVDB-HOTGVXAUSA-N 346.434 2.892 0 50 EFAA O=C(c1ccccn1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91380882 ROBACHCCQIGCOX-QGZVFWFLSA-N 347.422 2.741 0 50 EFAA CC(C)OCc1nc(COc2cccc(Cl)c2)nn1CC(=O)O 97784879 VSXALXKCDXRZIC-UHFFFAOYSA-N 339.779 2.520 0 50 EFAA CCOC(=O)c1nc(CC)oc1NC(=O)[C@H]1COc2ccccc2C1 179224771 VHBQRVOSYPRODM-GFCCVEGCSA-N 344.367 2.604 0 50 EFAA Cc1cc(C)n(CCCN(C)CCC(=O)Nc2ccccc2F)n1 244764165 PCLOBWPWICQCFT-UHFFFAOYSA-N 332.423 2.990 0 50 EFAA O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C1(C(F)(F)F)CCC1 294438164 MMRWQMHXJZPMKX-NSHDSACASA-N 347.358 2.754 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21 296946448 PXXUKCBHAAWYFK-BMIGLBTASA-N 334.445 2.868 0 50 EFAA CCc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c(C)n1 184102556 YIVDJKXTKALGJX-MRXNPFEDSA-N 337.423 2.767 0 50 EFAA CC1(C)CC(NC(=O)CC2(n3cccc3)CCOCC2)CC(C)(C)N1 263587010 BBKBKDHKMPJILM-UHFFFAOYSA-N 347.503 2.809 0 50 EFAA C[C@H](C(=O)NCCCn1nccc1C1CC1)n1cnc2ccccc21 299796504 NTBNUOFKTCFTEG-CQSZACIVSA-N 337.427 2.878 0 50 EFAA COc1ccnc(NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)n1 824836057 RUUMVDNTHMVWNI-SECBINFHSA-N 329.326 2.757 0 50 EFAA Cc1cn2c(=O)cc(CN[C@H](C)c3cnn(C(C)C)c3)nc2s1 1351284928 XBOGZHHUQUJBNL-GFCCVEGCSA-N 331.445 2.693 0 50 EFAA CN(C)CCN(C[C@@H]1CCCO1)C1CCN(c2ccccc2F)CC1 952870383 YQNFZOJOVVXCFE-SFHVURJKSA-N 349.494 2.837 0 50 EFAA O=C(CC(F)(F)F)Nc1ccc(I)cn1 86997183 XRSZHDOJZFXQRJ-UHFFFAOYSA-N 330.047 2.577 0 50 EFAA Fc1ccc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1Br 185264401 ZOGZMJTXPJZYGZ-ZDUSSCGKSA-N 340.196 2.885 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 275607067 QTKCABRISNWSPW-HNNXBMFYSA-N 337.427 2.561 0 50 EFAA O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@@H](c2nccs2)C1 186810309 MATRPTLZGQJDDK-GFCCVEGCSA-N 346.437 2.808 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC(O)(c2ccccc2)CC1 191849991 FUMBBCSAOVWIDQ-UHFFFAOYSA-N 345.464 2.968 0 50 EFAA Cc1ncsc1NC(=O)CCC(=O)N1CCc2sccc2C1 675509228 XQPZVLOLPXPOKR-UHFFFAOYSA-N 335.454 2.817 0 50 EFAA Cc1cc(N2CCCN([C@H](C)Cn3nc(C)cc3C)CC2)ccn1 1506411836 UWXLAZQGVZFTQR-GOSISDBHSA-N 327.476 2.804 0 50 EFAA Cc1cc(C)cc(NC(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1 1529168667 KMZQCKUBVCQJEW-QZTJIDSGSA-N 329.444 2.630 0 50 EFAA COC(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1 12406081 VQAGJEPHRHPPRM-UHFFFAOYSA-N 340.379 2.864 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1ccc(Cn2ccnc2)o1 1857711200 NKJQIHRYXQHWLC-UHFFFAOYSA-N 349.394 2.646 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc4sc(=N)[nH]c4c3)C2)n1 1857716434 MKWRZJLLQBZYRL-CYBMUJFWSA-N 341.440 2.609 0 50 EFAA C[C@@H]1CN2C[C@H](NC3CCN(c4ccc(Cl)cc4)CC3)C[C@H]2CO1 1857735997 LBLPRFCLBNYQBT-BJZITVGISA-N 349.906 2.760 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc(F)c(F)c4)[C@@H]2CC(=O)N13 1857741036 ZDSZTIDJFWZMKB-JZXOWHBKSA-N 336.382 2.523 0 50 EFAA Cc1cccc(OCCN2C(=O)[C@]3(CCNC3)c3ccccc32)c1C 1875244782 UUFCZBFUFFSPRH-NRFANRHFSA-N 336.435 2.960 0 50 EFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 211965418 KFKIXDHBCVFFMR-UZLBHIALSA-N 347.462 2.785 0 50 EFAA Cc1nnc(-c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)o1 747572968 SDPYLOUNSPCEQD-CVEARBPZSA-N 341.415 2.745 0 50 EFAA CC(C)(CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)C1CC1 339351192 PBGZQBIAXKJXHH-UHFFFAOYSA-N 340.418 2.749 0 50 EFAA COCCC1(CNC(=O)c2cccnc2O[C@H](C)C(F)(F)F)CC1 252485939 HFNGKJCYUXPOJL-LLVKDONJSA-N 346.349 2.958 0 50 EFAA CCOc1c(F)cccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363128932 ZCLJERMQHBRNKT-CYBMUJFWSA-N 333.363 2.852 0 50 EFAA CN(C)C(=O)c1ccc(CN[C@@H]2CCN(c3ccccc3Cl)C2)[nH]1 364126144 INFDGNFEOBRTMP-CQSZACIVSA-N 346.862 2.738 0 50 EFAA CN(C)C(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 366335075 VFULZGWSXJIHMD-CRAIPNDOSA-N 344.386 2.848 0 50 EFAA CN(C)c1cccc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)n1 164335323 WCSIDYPATPEXGH-QGZVFWFLSA-N 338.455 2.922 0 50 EFAA COc1ccc(Cc2nc(-c3cnc4c(c3)OCCO4)no2)c(C)c1 904103439 DAASGRGIVSTLBN-UHFFFAOYSA-N 339.351 2.811 0 50 EFAA O=C(O)c1csc(CC2CCN(c3ncc(Cl)cn3)CC2)n1 910488766 VEZUKBMMPBLCRK-UHFFFAOYSA-N 338.820 2.744 0 50 EFAA COc1ccc(-n2cc(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)nn2)cc1 820656498 MHAKFNOLIDMMMP-YJBOKZPZSA-N 348.406 2.809 0 50 EFAA Cc1cc(C)nc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1 930421375 PTCDHMUWJOYBMN-CJNGLKHVSA-N 328.416 2.921 0 50 EFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCC[C@H](Cn2cncn2)C1 933238698 IDAPTMXPWGFGCT-KRWDZBQOSA-N 349.438 2.749 0 50 EFAA CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)NCc1cc[nH]n1 864095491 NQPHYBAVGLSNTR-AWEZNQCLSA-N 336.436 2.596 0 50 EFAA Cc1nc2n(n1)C[C@H](c1nc(Cc3cccc(C)c3F)no1)CC2 867160141 DUIVPXOMDGYWBF-CYBMUJFWSA-N 327.363 2.738 0 50 EFAA O=S1(=O)CCCN1Cc1cccc(-c2nc(C(F)F)co2)c1 952882619 GUTXRRXOSGUBGE-UHFFFAOYSA-N 328.340 2.815 0 50 EFAA c1nc(C2CCCCC2)cc(=NC[C@@H]2CCN2C2CCOCC2)[nH]1 1875288020 KQLLEXKULOAVTO-KRWDZBQOSA-N 330.476 2.611 0 50 EFAA COc1cc2c(cc1F)CN(S(=O)(=O)[C@H]1CCC[C@@H]1C)CC2 1875298701 KOMYDWKJRITHMS-ZBEGNZNMSA-N 327.421 2.711 0 50 EFAA CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1C(F)(F)F 1875292385 GRQSOHVXAUSOCC-NEPJUHHUSA-N 344.333 2.816 0 50 EFAA Cc1cc(C)c2cc(NC(=O)C34CC(CN)(C3)O[C@@H]4C)ccc2n1 1875287764 YKKUSQQAVBSDTD-XYJCDUHRSA-N 325.412 2.687 0 50 EFAA O=C(Nc1cccc(Cn2cccn2)c1)N1CC2(CO)CCC1CC2 1875307134 UPFCPGZSJPJPFI-UHFFFAOYSA-N 340.427 2.700 0 50 EFAA CON1CCC(CC(=O)N2CC[C@@H](CC(=O)O)c3ccccc32)CC1 1875394129 WYDJZGQLXMNMDR-HNNXBMFYSA-N 346.427 2.645 0 50 EFAA O=C([C@@H]1CC1(Cl)Cl)N1CC(c2nc(-c3ccccc3)no2)C1 886550878 URNKZVUTASAOJL-NSHDSACASA-N 338.194 2.856 0 50 EFAA CCc1cc(C)nc(N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)n1 1775294930 FHSWCLFSQNHIOQ-SFHVURJKSA-N 343.427 2.943 0 50 EFAA CN1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 156572581 RWDJDHKSLRCLER-SSDOTTSWSA-N 331.597 2.519 0 50 EFAA O=C(OC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 3995377 YPAWNTYHOKFGPC-KSZLIROESA-N 343.423 2.607 0 50 EFAA FC(F)c1cc(N2CCN(c3cccc4nc[nH]c34)CC2)ncn1 2325775602 PBSYBRQLKMPNGR-UHFFFAOYSA-N 330.342 2.617 0 50 EFAA Cc1nn(C)c(NC(=O)C[C@@H](N)c2cccnc2)c1-c1ccccc1 2325787102 AYBLDKSIJNPAMO-MRXNPFEDSA-N 335.411 2.819 0 50 EFAA O=C(N=c1[nH][nH]c2ccncc12)[C@@H]1CCOc2ccc(Cl)cc21 2325814543 AYODLXBPDLEXFB-SNVBAGLBSA-N 328.759 2.538 0 50 EFAA Cc1csc(N2CCN(C(=O)N(C)CCc3ccccc3)CC2)n1 2325826621 HGOYMRARIPLLRT-UHFFFAOYSA-N 344.484 2.868 0 50 EFAA CC(=O)NCc1ccc(Cn2cc(-c3ccc4c[nH]nc4c3)nn2)cc1 2325864999 IJFXTKYFEYTIPM-UHFFFAOYSA-N 346.394 2.506 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 287181 PLRVHPXMBBGSAT-UHFFFAOYSA-N 326.377 2.740 0 50 EFAA CCCN1C(=O)[C@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 527982 VYYRZWOQGWAAIP-FQEVSTJZSA-N 339.391 2.912 0 50 EFAA Cc1c(NC(=O)N2CCCCCC2)c(=O)n(-c2ccccc2)n1C 4279590 IYMVKSFWTMCPCX-UHFFFAOYSA-N 328.416 2.892 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)NC[C@@H](O)c2ccccc2)c1 55414046 ISVOLFVDEZEJBK-GOSISDBHSA-N 340.423 2.818 0 50 EFAA CCSc1nnc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)s1 8968861 PTRYPDPVTDWPJX-OAHLLOKOSA-N 349.437 2.760 0 50 EFAA Cc1noc([C@H](C)N2CCN(CCO[C@@H]3CCCC[C@H]3C)CC2)n1 247995082 CQIPPAKAWFFJCL-HLLBOEOZSA-N 336.480 2.652 0 50 EFAA CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 101460183 NSNGWOAXKWOINS-GVARAGBVSA-N 331.368 2.549 0 50 EFAA Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248003414 GISAJTDCURBFTB-DALJILGISA-N 334.416 2.778 0 50 EFAA O=C(CCn1cccc1)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 409414288 OZTXNSJIAQFFOY-UHFFFAOYSA-N 348.410 2.902 0 50 EFAA O=C(Nc1nnc([S@@](=O)Cc2ccccc2)s1)c1ccco1 170622313 YUIQLFVRYVZAEE-QFIPXVFZSA-N 333.394 2.691 0 50 EFAA NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)C1 229273633 XPXLUANWEXLBSK-NVXWUHKLSA-N 341.455 2.679 0 50 EFAA CCS[C@@H](C)c1noc(CN(C)C(=O)Cc2ccc(O)cc2)n1 135516926 CXCORWRXROFUHJ-NSHDSACASA-N 335.429 2.790 0 50 EFAA Brc1cc2c(c(CNc3ncnc4nc[nH]c34)c1)OCC2 122593038 JROJWFKPFZYODH-UHFFFAOYSA-N 346.188 2.662 0 50 EFAA CN(C)c1ccc(N[C@@H]2CCCN(c3ncc(F)cn3)CC2)cn1 328627291 GAHHJUCDBCGCQK-CQSZACIVSA-N 330.411 2.548 0 50 EFAA O=C(Nc1cncnc1N1CCCC1)c1cc(-c2ccccc2)no1 137322486 XHLCZEKNRMKNEM-UHFFFAOYSA-N 335.367 2.984 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1c(C)cc(C)c(CO)c1C 63856259 DLLOSKLSCZWFOO-UHFFFAOYSA-N 333.432 2.656 0 50 EFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 205084 FMZQRXKMUFIYCN-CVEARBPZSA-N 327.384 2.761 0 50 EFAA COC(=O)c1ccc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)cc1 33559597 BEJPQXQLCNAPOX-UHFFFAOYSA-N 334.379 2.756 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)c(C)c1 1392929 JPVFRTLGRPDNNR-UHFFFAOYSA-N 328.393 2.908 0 50 EFAA COc1ccc(NC(=O)C[C@H](C)C2CCNCC2)cc1NC(C)=O 237314316 WLYWVYKVOJDTJG-LBPRGKRZSA-N 333.432 2.618 0 50 EFAA Cc1scc(C(=O)N2CCC[C@@](O)(CO)C2)c1-c1ccccc1 72129599 ZEFDWHHVZCXLDS-SFHVURJKSA-N 331.437 2.683 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NCc1cccc2cn[nH]c12 252477924 XUZTXJJJPVTKBR-ZTFGCOKTSA-N 328.460 2.542 0 50 EFAA CC(=O)Nc1ccc(C(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1 252485630 HARGFGLKPLSHID-FQEVSTJZSA-N 340.423 2.616 0 50 EFAA CCCCc1ccc(CN2CCCN(CC(=O)N(C)C)CC2)s1 216047585 PDUKPFNIQVFJIT-UHFFFAOYSA-N 337.533 2.687 0 50 EFAA CCn1cc(CCN2CCN(c3nc4cc(C)ccc4o3)CC2)cn1 285071794 PCDKBOWKCPOQLL-UHFFFAOYSA-N 339.443 2.717 0 50 EFAA COc1cccc([C@H]2CCCCN2C(=O)CCc2nncn2C)c1 77344244 QJQMDBMSRRZPRK-MRXNPFEDSA-N 328.416 2.510 0 50 EFAA Cn1cc(NC(=O)c2ccc(-n3ccnc3)cc2)c(C(F)(F)F)n1 337785240 PAJMCMSBDOOSST-UHFFFAOYSA-N 335.289 2.877 0 50 EFAA CC[C@@H]1Oc2cc([C@@H](C)NCc3nnc(C)s3)ccc2NC1=O 253417725 ALQBMHDFMNTWEI-RNCFNFMXSA-N 332.429 2.807 0 50 EFAA CC(C)OC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1 253430818 SIRTUQKCUHYLGA-UHFFFAOYSA-N 334.460 2.938 0 50 EFAA Nc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1 71258715 NQACZYCGEFQNHS-UHFFFAOYSA-N 325.397 2.844 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc(-n3ccnc3)c1)CC2 245439327 FTXMDGHFACBYBY-HKUYNNGSSA-N 338.455 2.960 0 50 EFAA O=c1c2cccnc2ncn1CC[C@H]1CCCCN1C1CCCC1 32576433 FVMUMCKXOAKLAR-MRXNPFEDSA-N 326.444 2.979 0 50 EFAA Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)nc1C 72117756 KUZNNWIFUVKUEB-UHFFFAOYSA-N 325.290 2.518 0 50 EFAA O=C(c1ccncc1Cl)N(Cc1ccccn1)[C@H]1CCCNCC1 261925051 ZDZFLDAETUIEAH-HNNXBMFYSA-N 344.846 2.915 0 50 EFAA CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1 77392097 SUOZWVCIKHGMHF-UHFFFAOYSA-N 337.383 2.906 0 50 EFAA CN1C(=O)C[C@@H](CN[C@@H](c2nccn2C)C2CC2)[C@@H]1c1ccccc1 373830657 DTBBMQDBMMCRIU-UHOSZYNNSA-N 338.455 2.680 0 50 EFAA Fc1ccc(O[C@@H]2CCN(Cc3noc(C4CCOCC4)n3)C2)cc1 374616369 ZHRNRNDAMDPGOX-MRXNPFEDSA-N 347.390 2.756 0 50 EFAA Cc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccccc1F 263023284 JNVNYCIAHUXTCN-UHFFFAOYSA-N 346.362 2.648 0 50 EFAA O=C([C@@H]1NCCc2[nH]cnc21)N(Cc1c(F)cccc1Cl)C1CC1 72473452 WIHXFJSMRPAIMY-MRXNPFEDSA-N 348.809 2.580 0 50 EFAA CN(CC1CC1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 287076124 HSSHBXYFERTBOW-UHFFFAOYSA-N 329.849 2.761 0 50 EFAA Cc1ccccc1[C@H]1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 77303029 XEQLFBPNKZDRCB-INIZCTEOSA-N 338.455 2.933 0 50 EFAA Cc1c(C(=O)N2CCO[C@H](c3ccco3)C2)cnn1-c1ccccc1 176725154 WZKZTRKEDQLLPO-SFHVURJKSA-N 337.379 2.987 0 50 EFAA O=C1CC[C@]2(CCCN(C3CCCC3)C2)CN1CCc1c[nH]cn1 82106115 KARKCHUJDQRTLA-IBGZPJMESA-N 330.476 2.599 0 50 EFAA c1ccc(-c2nsc(N3CCCN(c4cccnn4)CC3)n2)cc1 266344469 IQIUKBJSFHAEFS-UHFFFAOYSA-N 338.440 2.712 0 50 EFAA CCCNC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2cccs2)C1 179940121 QMTAEFVEDSYXON-AWEZNQCLSA-N 346.500 2.887 0 50 EFAA O=C(C1CC1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 426388037 UAQXLNDARAFSQE-OAQYLSRUSA-N 340.467 2.870 0 50 EFAA COc1cc2c(cc1CN1CC[C@@H](n3nc(C)cc3C)C1)OCO2 97528886 UDOHTCWCJFYPLI-OAHLLOKOSA-N 329.400 2.684 0 50 EFAA Cn1c(C(=O)N2CC[C@@]3(CCCNC3=O)C2)cc2cccc(Cl)c21 92028550 JXIMACLMRZAACL-SFHVURJKSA-N 345.830 2.574 0 50 EFAA Cc1ccsc1[C@H](CNC(=O)CCc1n[nH]c(C)c1C)N(C)C 97259275 JAXUXLNAQFQQDE-HNNXBMFYSA-N 334.489 2.748 0 50 EFAA CCn1nccc1NC(=O)N(CCOC)Cc1ccccc1OC 97654178 MWZMIPDQVAXCCM-UHFFFAOYSA-N 332.404 2.592 0 50 EFAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)C[C@@H]2C)cc1 239425695 VAHKKTOMJPBURV-CGTJXYLNSA-N 344.455 2.923 0 50 EFAA CN(C)c1nc(CNC(=O)c2ccc(-c3cc[nH]n3)cc2)cs1 91320650 BNIBRSDAWPZQPF-UHFFFAOYSA-N 327.413 2.529 0 50 EFAA Cc1nc(CC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)cs1 95355261 QXQXGCYVRYPASH-INIZCTEOSA-N 330.453 2.578 0 50 EFAA CCc1ncc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cn1 95390725 LYUNVTNGKPAEEB-KRWDZBQOSA-N 342.418 2.745 0 50 EFAA NCCOc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 181434012 RMONZPOKJBAYHU-CYBMUJFWSA-N 333.413 2.584 0 50 EFAA O=C(NCCCSC1CCCCC1)[C@@H]1CCCCn2nnnc21 97288781 MHTCCRBJRPJIIF-CQSZACIVSA-N 337.493 2.513 0 50 EFAA COCC1(CNC(=O)[C@@H]2COc3c(cccc3OC)C2)CCCC1 95356792 FITNUCDVYVKLJL-HNNXBMFYSA-N 333.428 2.569 0 50 EFAA C[C@H]1CN(C(=O)Nc2cn(C)nc2-c2ccccc2)C[C@@H](C)N1C 297027427 VTGKRJZTPXROCR-OKILXGFUSA-N 327.432 2.643 0 50 EFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 342116556 WDFARJYEASUSCQ-NSHDSACASA-N 337.851 2.992 0 50 EFAA COCc1nc(C)c(CNC(=O)c2nc3ccc(C)cn3c2F)s1 534591821 QQASLRGLFVEDAV-UHFFFAOYSA-N 348.403 2.623 0 50 EFAA CCc1nnc(CNC(=O)N(Cc2ccccc2OC)C2CC2)s1 360771134 WKMBREYIGYXSKT-UHFFFAOYSA-N 346.456 2.983 0 50 EFAA Cc1cc(=O)c(C(=O)O)c(CCc2ccccc2)n1C[C@H]1CCCO1 299798591 SZPDECQSBCMTCL-MRXNPFEDSA-N 341.407 2.819 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(Cn3ccnc3C)CC2)n1 299784747 OYYYTNKBVQSHJL-QGZVFWFLSA-N 341.459 2.710 0 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COCCn1cc(Nc2cc(-c3ccc(OC)cc3)ncn2)cn1 1875309455 UTVMWKGJEAOFRC-UHFFFAOYSA-N 325.372 2.739 0 50 EFAA O=C(NCC1CCOCC1)c1cc(F)ccc1NC(=O)N1CCCC1 888090767 SOKAWWPIUXWLEG-UHFFFAOYSA-N 349.406 2.610 0 50 EFAA O=C([C@@H]1CCc2ccccc21)N1CCCN(c2ncccc2F)CC1 784208380 MMXMXQRBQIFNOJ-QGZVFWFLSA-N 339.414 2.989 0 50 EFAA O=C(c1csc(-c2ncccc2F)n1)N1CCOC[C@@H]1CC1CC1 886467927 NWPBRQOOQINRTC-LBPRGKRZSA-N 347.415 2.985 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 886560924 LOJHFNWQVUNSQM-CYBMUJFWSA-N 341.333 2.519 0 50 EFAA Cn1cc(Cl)c(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)n1 886569886 UYTVROBNSHJMEZ-LLVKDONJSA-N 347.724 2.556 0 50 EFAA CCOc1ccc(Cl)c(-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)n1 888078997 TYNGVDLNPLLFJG-MWLCHTKSSA-N 338.795 2.575 0 50 EFAA CC(C)Nc1cccc(CNC(=O)N2CCCc3c(cnn3C)C2)c1 888102618 RLXNIHLFLNVVRD-UHFFFAOYSA-N 341.459 2.898 0 50 EFAA Nc1nc(C2CC2)nc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 891793265 PQPCHPGLVXZEKJ-LBPRGKRZSA-N 336.399 2.856 0 50 EFAA 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COc1ccc2[nH]cc(CCNC(=O)c3c(C)nn4ncccc34)c2c1 1775981470 UTAOEZWLJCKDRR-UHFFFAOYSA-N 349.394 2.500 0 50 EFAA CC[C@]12C[C@@H]1CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1772805933 RPTHFOQGWXLCQK-RDTXWAMCSA-N 326.400 2.713 0 50 EFAA Cc1ccnc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 5065754 SFQGXDLYFGDLGQ-UHFFFAOYSA-N 337.379 2.894 0 50 EFAA S=C(NCCNC(=S)Nc1ccccc1)Nc1ccccc1 5582287 VEHIOLUTMROJJX-UHFFFAOYSA-N 330.482 2.960 0 50 EFAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCCCO3)no2)cc1 12587899 QIODKMJLEDJPJQ-UHFFFAOYSA-N 330.340 2.624 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccco3)CC2)cc1 16605530 VEUWCJSYVRKXCM-INIZCTEOSA-N 328.412 2.700 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(Cc4ccccc4)C3)n[nH]c21 1857528571 DXDYKYGSONRCIP-OLZOCXBDSA-N 325.412 2.747 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(c3cc(C(N)=O)c4ccccc4n3)C2)n1 1857678664 JPIMAMMRXQGYOL-CQSZACIVSA-N 335.411 2.598 0 50 EFAA Cc1nnc2n1C[C@@]1(CCN(Cc3cc4ccccc4s3)C1)OC2 1857685014 NWBLZRBZIZWHJJ-SFHVURJKSA-N 340.452 2.976 0 50 EFAA COC(=O)[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1ccccc1 408520456 GLZNEMQINOYYAK-GJZGRUSLSA-N 346.814 2.707 0 50 EFAA Cc1cnc(NS(=O)(=O)c2c(C)noc2C)nc1-c1ccccc1 408515099 UDIQRZNFNQKIHC-UHFFFAOYSA-N 344.396 2.858 0 50 EFAA Cc1c(Cl)c(CNCc2ccc(OCCN(C)C)cc2)nn1C 421335081 RPTFQMIYSHJHDU-UHFFFAOYSA-N 336.867 2.612 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1c[nH]nc1C(C)(C)C 328631775 KWHSPFSSZJBQKM-XJKSGUPXSA-N 331.464 2.791 0 50 EFAA COc1c(Br)cccc1CN[C@@H]1CCN(C(C)C)C1=O 237295326 LGEIIMFMWXLKTG-CYBMUJFWSA-N 341.249 2.557 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 237466092 RFGCUGZXZQZTAE-GXTWGEPZSA-N 339.277 2.968 0 50 EFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN[C@@H](c2ccncc2)C1 337654604 NAECGMLOJBMYAV-SUMWQHHRSA-N 345.830 2.675 0 50 EFAA CC(C)(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H]1CCc2ccccc21 163260820 BVCMLTUDHPVMRT-INIZCTEOSA-N 335.469 2.878 0 50 EFAA Cc1cnc2c(cnn2Cc2nc(C[C@@H]3COc4ccccc43)no2)c1 904159683 OLCWYSBSFWIUOG-CQSZACIVSA-N 347.378 2.890 0 50 EFAA Cc1ccc2oc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)cc2c1 904702662 WVXNXIXRJNDTPF-ACJLOTCBSA-N 325.368 2.669 0 50 EFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 906194967 XUBJWGNUOBGVDA-HNNXBMFYSA-N 343.358 2.962 0 50 EFAA Cn1ncc(C(F)(F)F)c1CNCc1ccc(C(C)(C)O)cc1 850250759 DMSBMNNJYFSKDY-UHFFFAOYSA-N 327.350 2.956 0 50 EFAA Cc1nn(Cc2cccc3c2OCCO3)c(C)c1[C@H]1CCCC(=O)N1 853723827 YDCBOWOPSKWORC-OAHLLOKOSA-N 341.411 2.661 0 50 EFAA O=C(O)c1cccnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 647455099 MOCPEWSZRVGFAF-FQEVSTJZSA-N 337.423 2.882 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccccc1 4009263 SQNDFISJBNVFTJ-KYNGSXCRSA-N 330.380 2.780 0 50 EFAA COC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 2325805690 GREKAYCAPGHJJX-CEXWTWQISA-N 330.472 2.782 0 50 EFAA CC1(C)C[C@H](C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1 2325849265 JUFMZLFHXMQZMU-GBESFXJTSA-N 338.451 2.966 0 50 EFAA O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCc2ccccc21 47945 HAJCSQGZHUANAI-UHFFFAOYSA-N 334.375 2.652 0 50 EFAA Brc1cc2c(cc1I)OCO2 391296 IKAMVDCUIDIBOG-UHFFFAOYSA-N 326.915 2.782 0 50 EFAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 1058766 HFTYNIVJXPZMBP-UHFFFAOYSA-N 343.335 2.644 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cnc1C 2356139216 FGIZXQPCSZPXAN-LJQANCHMSA-N 329.444 2.704 0 50 EFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cc3ccccc3o2)C1 2356146645 OLRVZFXSAAEJLB-HXUWFJFHSA-N 348.406 2.756 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356147529 AEVIYNRTTZEHNE-FQEVSTJZSA-N 342.439 2.520 0 50 EFAA CCCCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 4840645 IXYFNNDSWTUSDJ-VIFPVBQESA-N 325.463 2.734 0 50 EFAA CCn1c(=O)c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=O 4999301 ZMYALKBYAIQMQR-UHFFFAOYSA-N 342.782 2.719 0 50 EFAA COCCOc1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1 8723165 TVRFTXAEDVWXJG-UHFFFAOYSA-N 345.395 2.989 0 50 EFAA CCOc1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc1 9096647 GRNNXUPJPXJTQW-OAHLLOKOSA-N 326.352 2.814 0 50 EFAA O=C1CCC[C@H]2[C@@H]3C[C@H](CN(c4nc(-c5ccccc5)no4)C3)CN12 102469895 MEHSFTPFWMLIFB-BMFZPTHFSA-N 338.411 2.574 0 50 EFAA COc1ccc([C@@H](CN2CCN(C)CC2)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 110702968 HHZCNLRYMLTICT-BVPXEZJJSA-N 343.515 2.762 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCc3ccccc3C1)C2 67872314 CRYVRUCFFUMPHO-OAHLLOKOSA-N 325.412 2.517 0 50 EFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1csc(C)n1)C2 67473448 UEYLFBSQSIWAFB-CYBMUJFWSA-N 348.472 2.746 0 50 EFAA CC(C)Nc1ncccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 118878676 QYCQLCVMUFVYCW-AWEZNQCLSA-N 329.404 2.530 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(NC(N)=O)c1 252480836 CEMATTCSNWBIKE-NSHDSACASA-N 329.322 2.980 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229372358 TYYCKCMLYDJANN-OLZOCXBDSA-N 330.881 2.662 0 50 EFAA Cc1cc2ccccc2n1CC(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 229576828 MKMHUCALHBSUAA-ULQDDVLXSA-N 343.471 2.564 0 50 EFAA C[C@H](c1ccncn1)N(C)C(=O)CCc1nc(-c2ccccc2)no1 77520804 WQDKQLBVZDWORQ-CYBMUJFWSA-N 337.383 2.679 0 50 EFAA O[C@]1(CN2CCCCC2)CCN(Cc2c[nH]c(CC3CCCC3)n2)C1 77505042 DCXHUGNPBRKBPA-FQEVSTJZSA-N 346.519 2.565 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2nnc(C(C)C)o2)n1C 328639850 PRVBHNZFDCXJQG-CQSZACIVSA-N 345.447 2.618 0 50 EFAA CN1CCC(OCCCn2ccnc2-c2ccccc2C(=O)O)CC1 77438146 KUMHNULXRMOJRN-UHFFFAOYSA-N 343.427 2.749 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@H]1C(C)(C)O 123466730 GNLGXSLCOARVFS-INIZCTEOSA-N 325.412 2.828 0 50 EFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)C[C@H](O)CO 71767453 UFZVNTHDCMDBKC-KRWDZBQOSA-N 326.396 2.588 0 50 EFAA COc1ccc2[nH]nc(C(=O)N(C)C[C@@H]3CCCN(C(C)C)C3)c2c1 77407416 UBDBSAFTUJCCDM-AWEZNQCLSA-N 344.459 2.764 0 50 EFAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2 365619391 LPSHEUJSOJEIIK-XYPHTWIQSA-N 343.427 2.896 0 50 EFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237883556 APBKKBPMBAVOIF-HNNXBMFYSA-N 341.411 2.898 0 50 EFAA COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3[nH]ccc3C)C2)c1 370468468 LITFNVKQZPGOPB-AWEZNQCLSA-N 343.427 2.691 0 50 EFAA C[C@H](C1CCN(Cc2ccc(O)c(Cl)c2)CC1)N1CCOCC1 72474376 JYQXICLNMHOWIS-CQSZACIVSA-N 338.879 2.978 0 50 EFAA O=C(c1nc2cccnc2s1)N1CC[C@](O)(c2ccc(F)cc2)C1 375721702 WFQUOLJDYXDDDT-QGZVFWFLSA-N 343.383 2.564 0 50 EFAA C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(O)nn1 375791512 YLUXSIZSMAFUAJ-BOFPYLFWSA-N 345.418 2.746 0 50 EFAA COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCOC3)CC2)cc1 171026895 NYQGFELRDNSRJF-INIZCTEOSA-N 331.412 2.543 0 50 EFAA CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 239366973 AHBSJPJNQVYPLN-UKRRQHHQSA-N 348.443 2.902 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C 240412662 FNPWINVVVKODDQ-TTZDDIAXSA-N 348.447 2.790 0 50 EFAA C[C@H]1CN(c2cncc(Br)c2)C[C@@]2(CCCOC2)O1 241653378 PUOSZRVKEFHKQB-SMDDNHRTSA-N 327.222 2.618 0 50 EFAA O[C@@H](C[C@H]1CCCN1Cc1ncnn1-c1ccccc1)c1ccco1 241776886 RTINWWJNGQJVIS-SJORKVTESA-N 338.411 2.948 0 50 EFAA CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1C 84968318 UJJLHLYFQHPRCL-GFCCVEGCSA-N 329.425 2.869 0 50 EFAA CN(C)CCn1ccc(NC(=O)N2CCC[C@H]2c2cccs2)n1 173929590 YIGDQVPYCDZSSH-ZDUSSCGKSA-N 333.461 2.875 0 50 EFAA CN(C)C[C@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2F)C1 426689288 QEZXGWVSMPZKDS-LLVKDONJSA-N 347.356 2.938 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N1CCC(OCc2ccccn2)CC1 426707162 HHZUOLIISYTIGJ-OAHLLOKOSA-N 342.443 2.745 0 50 EFAA CSCC[C@H](O)C(=O)NCC1(c2ccccc2F)CCCC1 220596400 LETUQGMBAHDNBU-HNNXBMFYSA-N 325.449 2.868 0 50 EFAA Cc1nc(CN2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)c(C)s1 96179854 VTAIIELOROJOPH-RDTXWAMCSA-N 349.500 2.521 0 50 EFAA O=C(CCc1nc(-c2cccnn2)no1)NC1CCCCCCC1 95531121 XXTRMLNWUXLFKA-UHFFFAOYSA-N 329.404 2.688 0 50 EFAA Cc1ccccc1[C@@H](C(=O)NCCCOc1cccnc1)N(C)C 95373897 VSWFPKZJCUHOGY-SFHVURJKSA-N 327.428 2.578 0 50 EFAA O=C(c1ccc(-n2cnnc2)nc1)N(C/C=C/c1ccccc1)C1CC1 97137784 WQDQHXXXJODWAA-QPJJXVBHSA-N 345.406 2.980 0 50 EFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 95520064 JBMAKBYUAPLENX-GOSISDBHSA-N 340.471 2.855 0 50 EFAA O=C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cc(F)cc(F)c1 91433867 SUFUHQCJIVMNFE-UHFFFAOYSA-N 348.393 2.716 0 50 EFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(-c2ccco2)on1 95354880 MEYISSMVHQDQTE-MRXNPFEDSA-N 337.379 2.608 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(-c2ncc[nH]2)c1 244678448 ICYIBQRLOHRBBN-JFIYKMOQSA-N 348.406 2.714 0 50 EFAA CCc1nc(C)c(CNC(=O)N2CCN(C)c3ccccc3C2)o1 293782678 TZHPOXIAPFXFDL-UHFFFAOYSA-N 328.416 2.707 0 50 EFAA CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 297414928 PLQAXHQCARGLJX-QGZVFWFLSA-N 337.423 2.612 0 50 EFAA O=C(C1CCN([C@H]2CCSC2)CC1)N1CCc2ccccc2C1 355728270 FARLAXYZNKJNBQ-SFHVURJKSA-N 330.497 2.789 0 50 EFAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1Oc1ccccc1 299740727 BKDQSBWFQAYQHW-NVXWUHKLSA-N 336.391 2.830 0 50 EFAA Cn1ncnc1S[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 184164069 RZSCSCDNLFDQBI-LLVKDONJSA-N 326.784 2.505 0 50 EFAA COc1ccc(CNC(=O)CO[C@H]2CCC[C@H](C)C2)cc1C(=O)O 299747854 FJIRRAKDLGLGLQ-JSGCOSHPSA-N 335.400 2.605 0 50 EFAA Cc1ccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)n1C(F)F 299785494 SGQJVFWZLFEZEN-UHFFFAOYSA-N 339.386 2.714 0 50 EFAA CCc1oc2c(NC(=O)N(C)C[C@H](O)CO)cc(Cl)cc2c1C 299759867 OHPMYZADIZTXRD-NSHDSACASA-N 340.807 2.774 0 50 EFAA COc1ccc(NC2(C(=O)N3CC[C@@H](CO)C3)CCCCC2)cc1 584898987 AHIAARXDIYZKQY-OAHLLOKOSA-N 332.444 2.651 0 50 EFAA CCOc1ccc(CN2CC[C@H](CC(=O)NC)C2)c(OCC)c1C 670452705 NGPNTWPWIHJNPK-OAHLLOKOSA-N 334.460 2.750 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 1365741362 NUPXZAYGHVJLNW-OAHLLOKOSA-N 349.456 2.951 0 50 EFAA CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc[nH]2)CC1(C)C 865215451 QQHVIZGFZOZXPI-UHFFFAOYSA-N 331.420 2.845 0 50 EFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cncc(Cl)c1 952965881 UVKXVVPEECPFGM-LBPRGKRZSA-N 335.835 2.598 0 50 EFAA CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1O 272299413 XCFBRNBYUNSRMT-JKSUJKDBSA-N 331.460 2.551 0 50 EFAA COc1ccccc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186576144 ZMUJIEXPCBSKFJ-QGZVFWFLSA-N 339.439 2.875 0 50 EFAA Cc1nn(C)cc1CN1CCC[C@@H](N(C)Cc2ccccn2)CC1 275818285 UNSJYQUVCPNGCB-LJQANCHMSA-N 327.476 2.610 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CC[C@@H](Oc2ccccc2)C1 659229117 OPAMCMZUKYHMSX-QGZVFWFLSA-N 339.391 2.997 0 50 EFAA COc1ccc(-c2cn(CC(=O)NC3CCCCCC3)nn2)cc1 640770632 OVVDHFOTHYVVCP-UHFFFAOYSA-N 328.416 2.793 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)nc1 190629117 HSBSXCJLTJQCQX-UHFFFAOYSA-N 349.350 2.695 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2[nH]ccc2C2CC2)nn1 643904023 AKKMWKQESXULSO-HNNXBMFYSA-N 325.416 2.725 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 192045852 FXLDHSOVJOZRQN-PBHICJAKSA-N 348.834 2.738 0 50 EFAA O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC[C@H]1c1ccsc1 654638172 WLFIKUBOLBDTDE-QWHCGFSZSA-N 347.444 2.764 0 50 EFAA Cc1noc(C)c1CCCNC1CCN(C(=O)c2cccnc2)CC1 1506404348 CKLRLXMXQXEXOX-UHFFFAOYSA-N 342.443 2.513 0 50 EFAA CCc1nn(C)c(NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c1CC 1529189359 NHQXPCFKOMIHJT-CYBMUJFWSA-N 344.390 2.749 0 50 EFAA C[C@H](CCn1cccn1)N1CCCN(C(=O)Cc2ccsc2)CC1 1772806406 FCDPUURFSYPKOA-MRXNPFEDSA-N 346.500 2.500 0 50 EFAA Cc1cccc(CCN2CCCN(C(=O)Cc3ccsc3)CC2)n1 1772700307 BYZBGGRLEKKKOW-UHFFFAOYSA-N 343.496 2.771 0 50 EFAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ncnc2[nH]cnc12 1775977208 SBCUZTJBOWKFLS-XPUUQOCRSA-N 326.187 2.883 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 1772706320 BAZPJWLBSOVVIO-DOMZBBRYSA-N 347.308 2.768 0 50 EFAA O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N1CCCC1 5398999 NKZVOHJEHALMKC-UHFFFAOYSA-N 333.391 2.686 0 50 EFAA CC1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 12570730 JSBUZUYSLXVBMY-OAQYLSRUSA-N 344.499 2.705 0 50 EFAA CC[C@@H](C(=O)Nc1cccnc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713361 ZUYFLNLBDMBTSA-INIZCTEOSA-N 347.440 2.573 0 50 EFAA CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CCN(C(C)C)CC1 16605913 FDFUEKVILKOYCO-GOSISDBHSA-N 334.460 2.842 0 50 EFAA Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n1 1857675547 COVBTNGKFWRAAG-DSKINZAPSA-N 336.435 2.988 0 50 EFAA CNC(=O)C1(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)CC1 114335135 SXNQAQOTVKHNBY-UHFFFAOYSA-N 349.500 2.673 0 50 EFAA CN(C)C(=O)CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 123486572 NDZBOVLHRPEGNR-UHFFFAOYSA-N 336.741 2.957 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)CCN2c3ccccc3CC[C@@H]2C)C1 237431703 ZAMQUXARLLLPGU-BQFCYCMXSA-N 329.488 2.804 0 50 EFAA CCOC(CC(=O)Nc1cccc(-c2nnc(C)n2C)c1)OCC 252498771 RKRJXXVNLXMPSB-UHFFFAOYSA-N 332.404 2.518 0 50 EFAA COCCn1cc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)cn1 252479190 BAQMBBIOAAVAIA-KBXCAEBGSA-N 342.443 2.571 0 50 EFAA CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1CCN(C)CC1 154406062 JEYHNORMWGHHNV-KRWDZBQOSA-N 339.867 2.741 0 50 EFAA O=C(c1ccc(-c2cncnc2)cc1F)N1CCO[C@@H](C2CC2)C1 368890521 VISWJUATTRANAX-QGZVFWFLSA-N 327.359 2.534 0 50 EFAA CC1(C)Cc2cccc(C(=O)N[C@@H](C(=O)O)c3cccc(O)c3)c2O1 911438816 KEEGISSXAOLLKG-OAHLLOKOSA-N 341.363 2.661 0 50 EFAA COc1ccc(C[C@H]2CCCCN2Cc2cn(C)nc2C(=O)O)cc1 902534045 FJWWBFRHXLIBBA-MRXNPFEDSA-N 343.427 2.724 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(OC)ncn1 931029193 LIVSVZMOFJAGGE-INIZCTEOSA-N 327.384 2.643 0 50 EFAA C[C@]1(CO)C[C@H](O)CN1C(=O)Nc1ccc(-c2ccccc2)cc1 864096841 JQNOAOSVIUVUJI-PKOBYXMFSA-N 326.396 2.703 0 50 EFAA CN(Cc1nc(-c2cn(Cc3ccccc3)nn2)no1)CC(C)(C)C 874434749 CKUHIFWSRQBFGJ-UHFFFAOYSA-N 340.431 2.854 0 50 EFAA COc1cccc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c1C 952890823 JSNRNCLEGFTZDQ-KGLIPLIRSA-N 329.400 2.836 0 50 EFAA COC(=O)/C=C/CNC(=O)c1nc(-c2ccccc2)oc1C(C)C 1875273378 TZGGFIVNARAJQI-JXMROGBWSA-N 328.368 2.924 0 50 EFAA COc1ccc(OC)c2c1CN(c1c(F)cncc1Cl)C[C@@H]2O 1875286266 MZXZMFUXPCBRQB-LBPRGKRZSA-N 338.766 2.945 0 50 EFAA COc1ccc(C(C)=O)c(NC(=O)CCn2c(C)c(C)sc2=O)c1 1875322891 MEQJOBNVPNILGX-UHFFFAOYSA-N 348.424 2.767 0 50 EFAA O=S(=O)(c1ccccc1)c1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875385645 XXXCWZHDMAAKNA-UZLBHIALSA-N 343.448 2.992 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccoc2C2CC2)C1 886038321 YEKDWBLVXWJMNH-GOEBONIOSA-N 342.395 2.861 0 50 EFAA CN(CC[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)Cc1nc[nH]n1 1775987416 SKCAUOXXVBDLER-ZDUSSCGKSA-N 339.484 2.956 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3n[nH]c4c3COCC4)cc2)n1 899259053 XBVAJISMXCJKPI-UHFFFAOYSA-N 337.383 2.537 0 50 EFAA O=C(c1ccccc1Br)N1CCN(c2ccccn2)CC1 60363 SVSJCCUPYYRDIQ-UHFFFAOYSA-N 346.228 2.807 0 50 EFAA C[C@H]1CN([C@H]2CCN(c3ccn(C)n3)C2=O)Cc2c(Cl)cccc21 2325771984 JOGJRQDKARKCFE-LRDDRELGSA-N 344.846 2.798 0 50 EFAA Cc1c(Cl)ccc2[nH]c(C(=O)N3CCCN(C[C@@H](C)O)CC3)cc12 2325792787 LXQVLIMHGIZRQM-GFCCVEGCSA-N 349.862 2.658 0 50 EFAA N[C@H]1CN(Cc2ccccc2OCc2cccnc2)CC(F)(F)C1 2325799995 DZWIRCNYMDALPS-MRXNPFEDSA-N 333.382 2.829 0 50 EFAA CO[C@@H]1CC[C@H]1Cc1nc(-c2cnn(Cc3ccccc3)c2)nn1C 2325849435 PMHWLSBXTMHHBS-DOTOQJQBSA-N 337.427 2.694 0 50 EFAA C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 5936 QEMSVZNTSXPFJA-HNAYVOBHSA-N 327.424 2.798 0 50 EFAA investigational COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 262379 LXUHOCSHIFFSEM-UHFFFAOYSA-N 342.395 2.793 0 50 EFAA Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl 314571 HLDXPARAWUZDKC-UHFFFAOYSA-N 328.755 2.883 0 50 EFAA Cc1cc(=O)oc2cc(OC(=O)CNC(=O)OC(C)(C)C)ccc12 2090409 WHWUGNIBNJASHQ-UHFFFAOYSA-N 333.340 2.532 0 50 EFAA biogenic CC(C)Cn1c(CN2CCC[C@@]23CCCNC3=O)nc2ccccc21 2356146968 CDCMBAQIAJVOFL-HXUWFJFHSA-N 340.471 2.937 0 50 EFAA COc1cc(CN2CCC[C@H](OC)C2)cc(-c2cnn(C)c2)c1OC 2356163761 QBTDNDAVEXRYKH-INIZCTEOSA-N 345.443 2.715 0 50 EFAA CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1Cl 4413339 WSDCNZAXPKCYFN-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)C1 6730799 QEHGVXFCXMMLRQ-ZWKOTPCHSA-N 348.487 2.911 0 50 EFAA COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC 8014216 NJXTVYAUIUVGBO-SNVBAGLBSA-N 342.351 2.676 0 50 EFAA biogenic,in-vitro O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(OC(F)F)cc1 8277769 FIQPPLPXAFFWEC-UHFFFAOYSA-N 345.305 2.637 0 50 EFAA COc1cccc(OCc2nn3c(-c4ccccn4)nnc3s2)c1 10312410 OVPDLYYPRNPUCW-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA CCO[C@H](C)n1nc(Br)c(C=O)c1Br 115696169 COCAEGZVBRDLIL-RXMQYKEDSA-N 325.988 2.776 0 50 EFAA CCCc1nc(CN(CC)Cc2cnc(-c3ccccn3)nc2)no1 55072651 JSEDYVGNJCUMJX-UHFFFAOYSA-N 338.415 2.896 0 50 EFAA COc1ccc(CC(=O)N2CCC(=O)Nc3ccccc32)cc1OC 21803784 CKBXWUNCHZXLHU-UHFFFAOYSA-N 340.379 2.622 0 50 EFAA biogenic O=C(O)c1cccc(CS(=O)(=O)N2CC[C@@H](c3ccccc3)C2)c1 324266307 JDMSYKYJRLYJTP-QGZVFWFLSA-N 345.420 2.704 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 55564283 ZTBYALNYLCHTED-MRXNPFEDSA-N 339.439 2.844 0 50 EFAA O=C(c1ccc(CN2CCCCC2)cc1)N(CCO)Cc1ccco1 65535272 XBXHMOKLIUCSCR-UHFFFAOYSA-N 342.439 2.900 0 50 EFAA O=C(c1cncc(-c2ccccc2)c1)N1CC[C@](O)(C(F)(F)F)C1 135829980 RUHXCDAPIUZUAM-MRXNPFEDSA-N 336.313 2.888 0 50 EFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1(C)C 427467515 SMMPLPIDOFMUQC-CVEARBPZSA-N 330.432 2.691 0 50 EFAA CCN1CCC[C@@H](CN(C)C(=O)c2ccco2)[C@@H]1c1cnn(C)c1 328628747 OARKMOWXRLDSLX-WMLDXEAASA-N 330.432 2.558 0 50 EFAA CC(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)CCc2ccoc2)CC1 328631561 KQEBAZCWFHCQRR-GOSISDBHSA-N 332.444 2.994 0 50 EFAA COc1ccccc1NC(=O)c1cnc2sc(C)c(C)n2c1=O 23119877 CHWKTHMAAGJULP-UHFFFAOYSA-N 329.381 2.634 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@]12CCN(C1CCOCC1)C2 12455796 DVMAIOHXDBALAS-HXUWFJFHSA-N 346.446 2.819 0 50 EFAA COc1ccc(Cl)c(CN2CCC[C@H](CNC(C)=O)C2)c1F 67856002 PDMGQSGRXIMGKC-GFCCVEGCSA-N 328.815 2.836 0 50 EFAA COCc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cncc(O)c2)o1 137510707 NTRAETLOQKCWPB-RRGWEWPQSA-N 328.368 2.904 0 50 EFAA O=C(CCC(=O)Oc1ccccc1F)OCC(F)(F)C(F)F 22339505 GPJJBTUKYQCOOI-UHFFFAOYSA-N 326.217 2.955 0 50 EFAA CCN(C(=O)C1CCS(=O)(=O)CC1)[C@H](C)c1ccc(F)cc1 330696761 DTVUQDZASYCCGV-GFCCVEGCSA-N 327.421 2.560 0 50 EFAA Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@]2(CCOC2)C1=O 126286757 CKPCFMZKTFZCQX-IBGZPJMESA-N 330.428 2.812 0 50 EFAA CC(C)(C)[C@H](O)Cn1c(=N)n(CCN2CCCCC2)c2ccccc21 274294 MWCSFYNDOUZTLZ-GOSISDBHSA-N 344.503 2.815 0 50 EFAA CC1=NN(C(=O)c2ccc(OC(F)F)cc2)[C@@](O)(C(F)(F)F)C1 374182 MGUHTKLXZYHHBR-LBPRGKRZSA-N 338.232 2.761 0 50 EFAA COCCc1cc(NC(=O)N2CCc3ccccc3[C@@H]2C)n(C)n1 128069919 YSUDWXMCSLFQHV-ZDUSSCGKSA-N 328.416 2.760 0 50 EFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F 132163817 ODUSMZGFXMYCJF-MWLCHTKSSA-N 335.297 2.768 0 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CC(C)Cc1nnc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 246097285 MKJRUGXYJBDPOH-RAIGVLPGSA-N 336.461 2.816 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CCC[C@]1(CO)Cc1ccccc1 365107834 AQHBKOOLDVPEKV-OAQYLSRUSA-N 349.434 2.702 0 50 EFAA O=C(c1ccco1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72166105 ABDKTSSWDSKXOU-QXAKKESOSA-N 338.407 2.688 0 50 EFAA CCc1ccc([C@H]2CN(C(=O)c3ocnc3C3CC3)CCN2)cc1 368304691 PFPDUHRSAOQCMH-MRXNPFEDSA-N 325.412 2.901 0 50 EFAA CCCc1nc(C)c(CNC(=O)C2=C(C)N3CCN=C3S2)s1 219612206 BQYIDUDVGXYXPF-UHFFFAOYSA-N 336.486 2.670 0 50 EFAA CC1=CCCN(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 369172284 AJBYXCUCIBIVGR-WMZOPIPTSA-N 328.460 2.654 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)NC[C@H]1CCCNC1 261845727 JAGACBNGSQKRPQ-ZDUSSCGKSA-N 332.831 2.988 0 50 EFAA COc1cc(F)c([C@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1OC 262129877 KOTAJEJPTCLVQL-QMMMGPOBSA-N 337.303 2.625 0 50 EFAA O=C1C[C@@H](Nc2cnc3ccccc3n2)CN1Cc1ccc(F)cc1 72165323 PDGDRBVWIOHQIJ-OAHLLOKOSA-N 336.370 2.982 0 50 EFAA 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CC(C)C(=O)N1CCC[C@H](NC(=O)N(C)C/C=C/c2ccccc2)C1 584884071 CYFKSYYGGNZSMR-DBEXCURXSA-N 343.471 2.988 0 50 EFAA O=C(c1ccc2scnc2c1)N1CCN(CC(F)(F)F)CC1 929592202 QVZWLAICFLTEFE-UHFFFAOYSA-N 329.347 2.616 0 50 EFAA CCC1(CO)CCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1 270792996 KIGROGRVSUJBLL-UHFFFAOYSA-N 345.487 2.850 0 50 EFAA COCc1ccccc1CNc1cccc2c1CCN2S(C)(=O)=O 1875284765 LPNVWVOQXNHZBF-UHFFFAOYSA-N 346.452 2.767 0 50 EFAA COCc1nc(-c2cc(C3CCOCC3)[nH]n2)n(CCC(C)C)n1 1875340616 KQWYYLCWLOAYAQ-UHFFFAOYSA-N 333.436 2.755 0 50 EFAA O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2O1)c1cc(-n2cccc2)ccc1Cl 1875308433 GCSOIJAZQVOKMI-XKQJLSEDSA-N 346.814 2.807 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Cc3cccnc3)cc2)cn1 1875384316 DVOMMCAVRMZUCD-YADARESESA-N 334.423 2.669 0 50 EFAA O=C(NCCCn1cc(C2CC2)nn1)C1(C(F)F)CCCCC1 1875323385 GQAGNTMQGHDEHJ-UHFFFAOYSA-N 326.391 2.877 0 50 EFAA O=C(c1ccc(-c2ccc3c(c2)CCO3)cc1)N1CC[C@@H]2CNC[C@@H]21 1565515275 OSYCGQUNUNGJAQ-MOPGFXCFSA-N 334.419 2.722 0 50 EFAA CCc1nc(C)c(C(=O)Nc2ccc(NC(=O)COC)c(C)c2)o1 952982564 YLJOMXCSZLYAPO-UHFFFAOYSA-N 331.372 2.691 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@](C)(C(=O)O)C2)c1 952973086 XOSKILGHUORNCK-SFHVURJKSA-N 332.400 2.608 0 50 EFAA O=S(=O)(CC1(C(F)(F)F)CC1)Nc1cccc(-n2ccnc2)c1 888096497 YJAROGFPXBDTPC-UHFFFAOYSA-N 345.346 2.957 0 50 EFAA Cc1nc([C@H](C)NCC23CCC(CC2)N3C(=O)OC(C)(C)C)n[nH]1 1775987916 XICYZOYJCMZHIS-BLQFLSLASA-N 335.452 2.696 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CC[C@H](c2nc[nH]n2)C1 1362590670 LKJNBAUWTVXXEA-FPMFFAJLSA-N 348.353 2.526 0 50 EFAA C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(C2CC2)[nH]c(=O)c1 186229477 JZLVIOLEFCACNC-JTQLQIEISA-N 330.409 2.705 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCCc1nc2ccccc2n1CC 277460126 HAERMYWBHHDEFM-PBHICJAKSA-N 329.444 2.920 0 50 EFAA CN(CC1(O)CCCCCC1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 170085857 LNBKCXLYAZNMKW-HNNXBMFYSA-N 348.418 2.795 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1O)c1nn(-c2ccccc2F)c2c1CCC2 187107408 ULKCGIYEQNGWDU-RHSMWYFYSA-N 343.402 2.533 0 50 EFAA CN1CCc2ncnc(N3CCC[C@@H](c4nc5ccccc5o4)C3)c2C1 222192273 YJYKIMLIEVUYBT-CQSZACIVSA-N 349.438 2.990 0 50 EFAA C[C@](O)(CNC(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccco1 225505787 GIYREJRTYIRGMP-ZDUSSCGKSA-N 348.708 2.984 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccon2)CC1 190130114 NWBUSNZFYCDEEV-UHFFFAOYSA-N 348.834 2.718 0 50 EFAA O=C(C[S@](=O)c1cccs1)Nc1cccc(N2CCCC2=O)c1 194616463 IOKRWXROQNMXFF-QHCPKHFHSA-N 348.449 2.621 0 50 EFAA O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)N1CCC[C@H]1CC1CCCC1 654588653 HCSPFLHDTIPLNB-YESZJQIVSA-N 333.476 2.894 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)Nc1nc(CC(=O)O)cs1)CCC2 656232440 SNHLGHZRKHOCRV-ZDUSSCGKSA-N 346.408 2.837 0 50 EFAA O=C(CCN1CC[C@H](c2ccccn2)C1)N1CCc2ccccc2C1 799195073 LFLZWOOPROYCOA-IBGZPJMESA-N 335.451 2.846 0 50 EFAA Cc1cccc(NC(=O)CC(=O)NCCCc2c(C)noc2C)c1 1506396806 NPYIAVQYRDQVJY-UHFFFAOYSA-N 329.400 2.677 0 50 EFAA CCCc1cc(CNc2nc3cc(C(=O)O)cnc3n2CC)on1 1506397501 CZBQJSIQFYLPFA-UHFFFAOYSA-N 329.360 2.702 0 50 EFAA O=C(c1ccnc(NCCCNc2cccnc2)c1)N1CCCC1 1529169358 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2.509 0 50 EFAA COc1cc(CN[C@@H]2COc3ccccc3C2)cc(OC)c1OC 19771006 NLUSVSBMYPIWKU-HNNXBMFYSA-N 329.396 2.806 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccccc1C(F)(F)F)C2 1857668903 JPFKXVYXKKKCBB-SWLSCSKDSA-N 329.318 2.629 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(c3ccnc(C(=O)O)c3)CC2)O1 1857697273 NADVORKZQLHEGZ-GDBMZVCRSA-N 348.443 2.705 0 50 EFAA C[C@H](NC(=O)Cc1cnc2ccccc2c1)c1nnc2ccccn12 118874154 NWXJFAKFBKLFJD-ZDUSSCGKSA-N 331.379 2.697 0 50 EFAA Cc1c(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cnn1C(C)C 331656354 SKQQHCJSISWEAE-RDJZCZTQSA-N 331.391 2.860 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2nccn2C)C1 332144048 HEZRZDFNYGBUKP-LBPRGKRZSA-N 339.848 2.560 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 238072018 MKQLOXPWYQTWLK-JHJVBQTASA-N 338.201 2.628 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 241124305 JHCPKGGXPHUXQJ-YVECIDJPSA-N 332.366 2.577 0 50 EFAA C[C@H](CNC(=O)Cc1ccc(Br)cc1)Cn1ccnc1 153653600 DHNHVKDQVLMKBO-GFCCVEGCSA-N 336.233 2.641 0 50 EFAA O=C(O)c1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cc1 263421127 OWXJRQMADFUAEN-CQSZACIVSA-N 331.803 2.802 0 50 EFAA C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 916971091 ZPTQQAODEOZHNF-SJKOYZFVSA-N 344.365 2.930 0 50 EFAA CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(OC)cc1)C(=O)N2 68074 DZGKSMHCPIDEJA-LJQANCHMSA-N 325.364 2.670 0 50 EFAA Cc1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n(C)n1 2325776230 CTKWMSRXNNTNBW-MQMHXKEQSA-N 339.848 2.606 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NC[C@@H](C)c3nncn3C)c2c1 893401445 KCUQIRFVPBMCSS-SNVBAGLBSA-N 331.807 2.663 0 50 EFAA COC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCC2 76428 RWPHFMDLUAXJLM-UHFFFAOYSA-N 349.437 2.544 0 50 EFAA O=C(Cc1ccsc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 220049942 MMNWJUISSWWIMT-BXWFABGCSA-N 343.448 2.854 0 50 EFAA CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 378847 PUIFNVKVHZDTMH-UHFFFAOYSA-N 342.395 2.519 0 50 EFAA COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCCC2 441741 GIGQMJQDQGIONU-UHFFFAOYSA-N 331.397 2.846 0 50 EFAA Cc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1 1056230 LEOBIROOQNNIJX-UHFFFAOYSA-N 338.392 2.865 0 50 EFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)Nc1ccc(Cl)cc1 4892697 PUDRAVASQCXJEG-UHFFFAOYSA-N 339.804 2.940 0 50 EFAA CCOc1cccc(C(=O)Nc2ccccc2C(=O)NCCOC)c1 10673858 OTLQSBSGJKNRCU-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA FC(F)(F)CN1CC[C@H](NC[C@@H]2CCO[C@@H]2c2ccccc2)C1 225295301 OEYYPLLNFNQNLR-HRCADAONSA-N 328.378 2.990 0 50 EFAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCC([C@H]2CCCO2)CC1 225404482 DKGVOFHAIKSPOE-FGTMMUONSA-N 346.475 2.967 0 50 EFAA CCCc1n[nH]c(NC(=O)NCc2ccc3c(c2)CC(C)(C)O3)n1 23214443 XAJHMCGBGMPNNG-UHFFFAOYSA-N 329.404 2.792 0 50 EFAA CN1CCC[C@H]1c1ccc(C(=O)Nc2c3c(nn2C)CCC3)s1 20638642 YMETUARBPCUASG-ZDUSSCGKSA-N 330.457 2.989 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)NCc1ccnc(-n2cccn2)c1 115330371 CXTWKSCXKYRIEI-SFHVURJKSA-N 348.406 2.588 0 50 EFAA CCc1cc(N(C)Cc2nnc(CC)o2)nc(N2CCCCC2)n1 65430699 ACGQOXHPQCNZRB-UHFFFAOYSA-N 330.436 2.611 0 50 EFAA Cc1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)c(C)c1 67603978 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341.411 2.636 0 50 EFAA Cc1nnsc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 32497956 NZZLATWSOAFJNM-GFCCVEGCSA-N 336.486 2.865 0 50 EFAA COc1cc(N[C@@H]2CCCN(Cc3cncn3C)C2)cc(OC)c1 155226546 LDVREOXUSSOYEO-CQSZACIVSA-N 330.432 2.514 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)on1 129705997 ICDQLNXHCDNEDO-DOMZBBRYSA-N 330.384 2.702 0 50 EFAA O=C(NCCn1c(S)nnc1C1CC1)c1ccc(Cl)c(F)c1 155745201 WJZUTQMXQJYDLE-UHFFFAOYSA-N 340.811 2.667 0 50 EFAA O=C(O)c1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77455688 QACRQSZOLMOMEW-FQEVSTJZSA-N 342.439 2.752 0 50 EFAA COc1cc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)ccc1F 372508166 ULPRMUKRWGYLIP-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1C(F)(F)F 262215401 JBFTVTUKWIHPBD-CHWSQXEVSA-N 341.329 2.731 0 50 EFAA CC(C)c1nnc(CN2CCC[C@H]2c2nc(-c3ccccn3)no2)o1 77392205 QMHQBFHOZBMHFL-ZDUSSCGKSA-N 340.387 2.975 0 50 EFAA CC(C)(CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2)C(=O)O 236803409 JFESARPVTXHNDC-UHFFFAOYSA-N 338.429 2.555 0 50 EFAA 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COCCn1ccnc1[C@@H]1CCCN(Cc2ccc(OC)cc2)C1 91694275 ZOAHGVIWBCKBCA-QGZVFWFLSA-N 329.444 2.918 0 50 EFAA Cc1nc(C)c(CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)s1 97088139 SPPMKELCDKNXHC-UHFFFAOYSA-N 348.443 2.952 0 50 EFAA CCN1CC2(CCN(C(=O)OC)CC2)C[C@@H](c2ccccc2)C1=O 91636355 UHUIKDIQQQMDTA-INIZCTEOSA-N 330.428 2.871 0 50 EFAA O=C1[C@H]2CC[C@H](CN(c3ncnc4[nH]ccc34)C2)N1Cc1ccccc1 95368280 OCVCAUVSSJWICX-JKSUJKDBSA-N 347.422 2.585 0 50 EFAA COc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1C 243892937 AMHAKIHEEBUZOX-MPGHIAIKSA-N 326.396 2.641 0 50 EFAA CC(C)(C)[C@@H]1CC[C@H]2OCCOCCOCCOCCO[C@H]2C1 245204970 KEDVODGFVKTPLB-ZACQAIPSSA-N 330.465 2.666 0 50 EFAA O=C1N[C@@H]2c3cc(Br)ccc3C(=O)N2c2ccccc21 252494458 NWHVHZFCEUVEMP-ZDUSSCGKSA-N 329.153 2.852 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1 297993392 XYLFCMFYNXCGRY-KRWDZBQOSA-N 340.423 2.976 0 50 EFAA O=C(Nc1ccncc1)c1ncn(-c2ccc(OC(F)F)cc2)n1 261490555 HDKBUFJRHPOEAY-UHFFFAOYSA-N 331.282 2.516 0 50 EFAA 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327.384 2.554 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1cnc(O)c(Cl)c1)C1CC1 1506398626 NUSSFKFOAMWSDY-UHFFFAOYSA-N 334.807 2.596 0 50 EFAA Cc1ccnn1CCN1CCN(c2nc3ccccc3s2)CC1 1506427641 ONJMXHLKNFSYRG-UHFFFAOYSA-N 327.457 2.623 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CC[C@@H]1O 1704314508 UFIAZALBRIYPKF-BYCMXARLSA-N 346.254 2.828 0 50 EFAA CSC[C@@H](C)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 12300264 OIZGBLGBANPPHS-LLVKDONJSA-N 331.441 2.915 0 50 EFAA COc1ccc(C[C@@H]2CN(C(=O)CCc3ccco3)CCO2)cc1 14978374 VONITUFWWUJTOJ-GOSISDBHSA-N 329.396 2.691 0 50 EFAA COc1cccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 15073286 NYHPWDLACYMVQA-FQEVSTJZSA-N 342.439 2.560 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(Cc1cccnc1)C[C@@H]2C(=O)O 1857684193 CKKQVCJFUIVQOO-GOSISDBHSA-N 343.471 2.646 0 50 EFAA Cc1c(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)oc2ccccc12 1857727298 PHUSLOWWAIXXAK-MJGOQNOKSA-N 326.396 2.664 0 50 EFAA CC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)ccn2)c1 634787714 MEYWQBMITOIKDV-UHFFFAOYSA-N 334.397 2.728 0 50 EFAA 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O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cc(F)cc2ccoc12 1875400409 YYBQQWCPWONCJZ-JCURWCKSSA-N 329.375 2.698 0 50 EFAA CC(=O)N1C[C@@H](NCc2ccc3c[nH]nc3c2)CC[C@@H]1C(F)(F)F 886036079 ZMVYHXCWLWBTSS-DZGCQCFKSA-N 340.349 2.594 0 50 EFAA CN1C(=O)C[C@@H](CNCc2cccc3cc[nH]c23)[C@@H]1c1ccncc1 886054995 BZLOMGJDWIMFND-PXNSSMCTSA-N 334.423 2.872 0 50 EFAA CC[C@H](CC(=O)NS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1 888099450 KBTLPTIPYXQSIZ-WDEREUQCSA-N 337.363 2.967 0 50 EFAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)c1cc(C)nc(CO)n1 1772121756 FJXOYJLJSRHCRM-LLVKDONJSA-N 332.473 2.885 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC[C@@H](n3ccnn3)CC2)n1 895104814 MSCAZAOJXBLLCX-LLVKDONJSA-N 326.326 2.627 0 50 EFAA Cn1ccnc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC1CC1 1775994909 PVHNUZXVUANVCR-HZPDHXFCSA-N 348.491 2.935 0 50 EFAA CCOc1cc(CC[C@H](C)NCc2cnn(CCOC)c2)ccc1O 1776006857 XRSRHWPUNXBDFU-HNNXBMFYSA-N 347.459 2.745 0 50 EFAA COC(=O)c1cnc(N2CC[C@@H](n3ncc4ccccc43)C2)s1 2325764513 DHJMJCITWLKRLI-GFCCVEGCSA-N 328.397 2.731 0 50 EFAA C[C@@H](c1ccncc1)N(C)C(=O)c1csc(C[C@@H]2CCNC2)n1 2325778961 XKNXRJGCMLHXMP-STQMWFEESA-N 330.457 2.523 0 50 EFAA CC(C)n1ccc2ccc(C(=O)N[C@H]3CCC[C@@H]3c3nn[nH]n3)cc21 2325809120 HOQPIAPYOQJTOJ-GJZGRUSLSA-N 338.415 2.801 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1c(Cl)cccc1Cl 311313 DYPNFYMENICQDX-LLVKDONJSA-N 331.224 2.959 0 50 EFAA COC(=O)Cc1c(C)c2ccc(O[C@@H]3CCCCC3=O)cc2oc1=O 488855 JCVYJCPYWIJUIX-MRXNPFEDSA-N 344.363 2.707 0 50 EFAA biogenic O=C(O)[C@@H](CN[C@@H]1CCc2cc(F)c(F)c(F)c21)C1CCOCC1 863744865 JVXZRLCWWHNCMS-WCQYABFASA-N 343.345 2.808 0 50 EFAA Cc1cc2ncn(C[C@H](O)COc3cccc(C(=O)O)c3)c2cc1C 857483 JWIVYIDXVXMFEQ-HNNXBMFYSA-N 340.379 2.791 0 50 EFAA O=C(NCCc1ccccc1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356163897 WNKPHJTZKNLXCO-FQEVSTJZSA-N 341.455 2.558 0 50 EFAA CCCNc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1 2847070 JMWHPPNUCXEJCB-UHFFFAOYSA-N 328.420 2.582 0 50 EFAA CC[C@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCCN1 134569255 GCXHJSTYLNIGKA-LJQANCHMSA-N 335.411 2.891 0 50 EFAA COc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21 4511526 CARSYUDIQVLGCH-UHFFFAOYSA-N 325.364 2.832 0 50 EFAA CCOc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1 6699834 JWKJTNMXHDIBKT-UHFFFAOYSA-N 326.400 2.834 0 50 EFAA C[C@@H](c1ccccn1)N1CCNCCN([C@H](C)c2ccccn2)CC1 864097287 RSDQYMWCHDGWEB-HDICACEKSA-N 339.487 2.506 0 50 EFAA O=C(Nc1ccccn1)C1CCN(C(=O)c2ccccc2F)CC1 9266206 KWVBIWFOLCFPDW-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA CC(C)n1cnnc1[C@H]1CCCN(CC(=O)Nc2ccccc2)C1 118861664 AAAAMGLVZZXVDT-HNNXBMFYSA-N 327.432 2.677 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348255967 HBKFLSDDRKOCNL-BBRMVZONSA-N 325.343 2.650 0 50 EFAA O=C1C[C@@H](c2ccc(-n3ccnc3)cc2)c2c(nc3sccn23)CN1 65504876 FTYDCJZCUJXZQF-AWEZNQCLSA-N 349.419 2.733 0 50 EFAA CC[C@H]1NC(=O)NC(C)=C1C(=O)NCc1ccc2sccc2c1 67540473 YMPMBMBPGSTKTD-CYBMUJFWSA-N 329.425 2.883 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(F)cc2F)C[C@@H](C)O1 229518359 DTPFMTWZPWGXOV-UMVBOHGHSA-N 338.398 2.679 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCc2[nH]nc3c2CCCC3)N(C)C)c1 67674907 WDFPNBCAPUBDPS-IBGZPJMESA-N 340.471 2.559 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CC=CCC2)on1 328625316 CZCYAGGJTDSOJS-JYJNAYRXSA-N 335.423 2.710 0 50 EFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CCC1Cc2ccccc2C1 348684598 BDLRFLQCIPTXJI-LJQANCHMSA-N 334.419 2.955 0 50 EFAA CCc1ocnc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67561268 HQBGXLODLYGFAB-UHFFFAOYSA-N 340.358 2.777 0 50 EFAA O=C1CC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1 65422007 VPWVADCKCDFACX-UHFFFAOYSA-N 333.741 2.860 0 50 EFAA CC(C)N1CCC(C(=O)N(C/C=C/c2ccccc2)CCO)CC1 65387996 NKACAHKCBHZSNE-RMKNXTFCSA-N 330.472 2.641 0 50 EFAA Cc1nn([C@@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 2778359 LJZZSXDIJBCLSS-NSHDSACASA-N 326.872 2.831 0 50 EFAA CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c2ccccc2c1=O 4105723 RICDNWUJMIELIV-UHFFFAOYSA-N 338.363 2.635 0 50 EFAA O=C(/C=C/c1ccc(O)cc1)NC[C@@H]1COC2(CCCCCC2)O1 128661535 UDULTQGEIKBTRR-PYUISTEWSA-N 331.412 2.988 0 50 EFAA COC(=O)c1n[nH]cc1CN1CCCC[C@H]1CCc1ccc(O)cc1 72130969 MNRBCWLDNXOIMJ-INIZCTEOSA-N 343.427 2.889 0 50 EFAA C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1Cc1ccccc1 237638820 AHZCIDWNXUHTGL-RYQLBKOJSA-N 331.504 2.871 0 50 EFAA CCN1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 34782384 ZZJRICLMEDANAK-UHFFFAOYSA-N 346.452 2.805 0 50 EFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 253393045 PITFPKGWCOUIEA-JKIFEVAISA-N 344.455 2.741 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCOC2)C1)N[C@H]1C[C@H](c2ccccc2)C1 253428868 RLCWTSBRLGAGOD-LSTDLKDCSA-N 330.428 2.570 0 50 EFAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(Cl)cc1 210722969 WJQZUSWGRJVCCG-OLZOCXBDSA-N 343.807 2.830 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)c1cccc(Cn2ccnc2)c1 342482288 RJZNWOKHTLRKPU-UHFFFAOYSA-N 335.411 2.669 0 50 EFAA N[C@@H]1CCC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]12 363680125 TVJVEZNFUCCJGG-HRCADAONSA-N 341.480 2.933 0 50 EFAA CN[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 134017895 VWYWBADMKXJWJR-CYBMUJFWSA-N 330.350 2.728 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 156416139 PHZXTEODNULDCH-NEPJUHHUSA-N 330.350 2.670 0 50 EFAA Cn1nc2c(c1C(=O)N1CCCC[C@H]1CCn1ccnc1)CCCC2 82114322 JQDMLLLULMCZPN-HNNXBMFYSA-N 341.459 2.580 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=S)N2C[C@H](C)O[C@H](C)C2)s1 18007550 QCDQTTWDZKSDSH-AOOOYVTPSA-N 342.486 2.903 0 50 EFAA NC1(C(=O)NCCc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1 178330067 FEHKXNDOGODJAJ-UHFFFAOYSA-N 348.368 2.860 0 50 EFAA O=C(c1cncnc1)N1CCC(c2noc3cc(F)ccc23)CC1 290987598 SENFLMYHJINLFC-UHFFFAOYSA-N 326.331 2.777 0 50 EFAA Cc1cc(N2CCN(C(=O)NCc3ccccc3F)CC2)cc(C)n1 426578540 FADDKADSOZUATF-UHFFFAOYSA-N 342.418 2.869 0 50 EFAA Cc1nccn1CCC1CCN(C(=O)c2cn3ccsc3n2)CC1 91849267 WNDLAHKXBWOHLH-UHFFFAOYSA-N 343.456 2.843 0 50 EFAA Cc1nc(CNC(=O)[C@H]2COc3ccccc3C2)nc2c1CCCC2 95524338 VELHBUKDXBRQAY-OAHLLOKOSA-N 337.423 2.531 0 50 EFAA Cc1noc(C)c1[C@@H](C(=O)O)N(C)Cc1ccc2nsnc2c1 95515209 CGSUJSWBBGZRRI-AWEZNQCLSA-N 332.385 2.554 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)c(C)s1 92078154 SMMBJLYTJCOLFP-UONOGXRCSA-N 330.519 2.572 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(=O)O 91915114 JDWSPZOQSZHJFW-QWHCGFSZSA-N 329.318 2.964 0 50 EFAA CSCCc1nc(-c2ccn3nnnc3c2)n(C2CCCCC2)n1 96141719 SZAKMTAHMFLLOD-UHFFFAOYSA-N 343.460 2.794 0 50 EFAA Cc1cccc(C)c1-n1nnnc1Cn1cnc2c1C[C@H](C)[C@@H](C)C2 295674991 BQJQVFRXDDAZHO-GJZGRUSLSA-N 336.443 2.895 0 50 EFAA O=C(NCc1ccnc(C(F)(F)F)c1)[C@H]1COc2ccccc2O1 295881087 VVXBEACWOKRAJV-CYBMUJFWSA-N 338.285 2.557 0 50 EFAA Cc1cccc(-n2cc(-c3ccnc(N4CC[C@H](N(C)C)C4)n3)cn2)c1 23214433 PNBHRMQOXLCKDM-SFHVURJKSA-N 348.454 2.778 0 50 EFAA Cc1cc(C2CCC2)nc(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)n1 91724280 SEDIFNRVKZJANX-QZTJIDSGSA-N 344.503 2.583 0 50 EFAA CCC[C@H]1CN(Cc2ccc(OC(C)C)c(CO)c2)C[C@@H]1NC(C)=O 91997332 CHTPEMVZQRFAKY-HKUYNNGSSA-N 348.487 2.703 0 50 EFAA CCNC(=O)c1ccnc(C[C@@H]2COc3c(cccc3OC)C2)c1 95380583 PUKFXRJLJTUAKB-CYBMUJFWSA-N 326.396 2.634 0 50 EFAA CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C[C@H](O)[C@]2(C)C(=O)C[C@H](O)[C@H]32)C1 257345879 MDAYVZVRLGMYGH-JMERRXBESA-N 336.472 2.555 0 50 EFAA CC(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)C2CCCC2)CC1 534658872 DOCPQNIPITUDKQ-IBGZPJMESA-N 343.471 2.834 0 50 EFAA CCn1cc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(C)n1 299801788 XTAZCFJHXLPHDX-QGZVFWFLSA-N 329.448 2.944 0 50 EFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@@H]1CCOc2ccccc21 653330402 FBWCEQWLXIRPBY-BRWVUGGUSA-N 337.375 2.982 0 50 EFAA CN1CCC2(CC1)CN(Cc1ccc([C@@H]3CCCO3)s1)CCN2C 823770303 UNLBQMBVBYKIBS-KRWDZBQOSA-N 349.544 2.811 0 50 EFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCN=c1cc[nH]cc1C 827641375 CIXBMMANCJACIA-CQSZACIVSA-N 347.846 2.769 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCCN3CCC[C@H](CO)C3)cc2)o1 670456683 BERLOAASJATOII-INIZCTEOSA-N 342.439 2.689 0 50 EFAA Cc1cc(C)c2c(CC(=O)N[C@@H](C)c3nnc(N)s3)coc2c1 670450654 AIMVJYAEFZLXKC-JTQLQIEISA-N 330.413 2.903 0 50 EFAA O=S1(=O)CCCN1Cc1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 952881421 HBCWFWKOCRLPMD-UHFFFAOYSA-N 345.346 2.631 0 50 EFAA COc1ccc2ccc(C(=O)N3CC(Cc4cnn(C)c4)C3)cc2c1 1875270437 RHULVGHCHIABFK-UHFFFAOYSA-N 335.407 2.897 0 50 EFAA CCc1[nH]nc2ncnc(N(C)C[C@H]3OCCc4sccc43)c12 1875310633 WJJRMCWUUWJIAX-GFCCVEGCSA-N 329.429 2.727 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=C(c4cccnc4)CC3)n[nH]c21 1875393701 LPUJUMHMSKQUQI-OLZOCXBDSA-N 338.411 2.756 0 50 EFAA CC(C)c1ccccc1OC[C@H](O)CN=c1nc(C(C)(C)C)o[nH]1 1875354475 XASWKUSVROKUGQ-CYBMUJFWSA-N 333.432 2.764 0 50 EFAA C[C@@H]1[C@@H](OC(=O)[C@H]2CCCN(c3cc(O)ncn3)C2)CCC[C@H]1C 1875356853 WBVSRVLOBCZBPU-QPSCCSFWSA-N 333.432 2.767 0 50 EFAA COc1cccc([C@H]2CCN(Cc3cnn(C)c3C3CC3)C[C@@H]2O)c1 1565511612 GEZHGXGXNNKIDS-MOPGFXCFSA-N 341.455 2.657 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cccc4c3OCCO4)cc2[nH]1 952972749 LIWPQNXXXLAIPD-SNVBAGLBSA-N 339.351 2.640 0 50 EFAA Cc1cnc(/C=C/C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)[nH]1 1775999464 RPSKOOLKSHCKGX-PSKZRQQASA-N 328.391 2.608 0 50 EFAA CC(C)c1nc([C@H]2CN(Cc3ccc(Cl)nn3)C[C@@H]2C2CC2)n[nH]1 1775984778 FPEJSQSBIZVZHK-KGLIPLIRSA-N 346.866 2.997 0 50 EFAA CO[C@H](C)CS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)n1 1775999826 WYYBYBQAWHNGRW-ZCFIWIBFSA-N 332.731 2.530 0 50 EFAA Cc1cc(N[C@@H]2CCCC[C@@H]2CCO)n2nc(C(F)(F)F)nc2n1 1776005807 IAZOBXINKMESGE-GHMZBOCLSA-N 343.353 2.805 0 50 EFAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)C[C@H]1C=CS(=O)(=O)C1 1363795172 RBNPYUXXGWFAKJ-ZBFHGGJFSA-N 333.453 2.730 0 50 EFAA C[C@H](CC(=O)N1CCCN(c2ccccc2)CC1)[C@@H]1CCCNC1 165796724 JLNIPHIZEMNVFC-QZTJIDSGSA-N 329.488 2.751 0 50 EFAA CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CCO[C@H]2CCC[C@H]21 271322145 BBSHIWSEJKPGPC-IEAZIUSSSA-N 336.407 2.865 0 50 EFAA C[C@H](Cn1cccn1)NC(=O)C1(C)CCN(Cc2ccccc2)CC1 273192215 IHFOKHXGHNXDNG-QGZVFWFLSA-N 340.471 2.690 0 50 EFAA CCCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)cs1 1073414414 LSPWTRUSOKXOMS-HIFRSBDPSA-N 349.500 2.919 0 50 EFAA O=C(C1CCC(n2cccc2)CC1)N1CCC(C2OCCO2)CC1 169975690 DPIQOVHAIKZDHL-UHFFFAOYSA-N 332.444 2.831 0 50 EFAA CN(C)CCOc1ccc(NC(=O)C2(O)CCCC2)cc1Cl 304400012 NYFMRUNKUARDTN-UHFFFAOYSA-N 326.824 2.524 0 50 EFAA COCc1nc(C)cc(N2CCC(Oc3ncccc3C)CC2)n1 278649049 IDVPYOAQFRPBNO-UHFFFAOYSA-N 328.416 2.683 0 50 EFAA CCc1nc(CNc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)n[nH]1 170598610 PANDFJLQPXPPIF-UHFFFAOYSA-N 343.431 2.751 0 50 EFAA Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(Cl)cc1F 225473459 WPXWSXPCTRLMMI-UHFFFAOYSA-N 340.767 2.631 0 50 EFAA CS(=O)(=O)CCN1CCC(c2cccc(Br)c2)CC1 281461585 TXARXSWKNGGKSP-UHFFFAOYSA-N 346.290 2.673 0 50 EFAA O=C(Nc1nnc(-c2cc3ccccc3o2)s1)NC1(CO)CCC1 191791129 AHTQLWAYNMUQQV-UHFFFAOYSA-N 344.396 2.988 0 50 EFAA C[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)CCS1(=O)=O 192046557 SSOPKSQYACDBDL-SNVBAGLBSA-N 339.429 2.744 0 50 EFAA Cc1c(Cl)cccc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 195361294 XHNAOCLEWDZBHN-CYBMUJFWSA-N 330.819 2.837 0 50 EFAA Fc1cccc(N2CCCN(Cc3nnc(C4CC4)o3)CC2)c1F 660690685 VRBNOEPJNLVCFG-UHFFFAOYSA-N 334.370 2.938 0 50 EFAA CCOC(C)(C)C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 1704344070 JQDYATASTQVKPB-UHFFFAOYSA-N 347.455 2.901 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O 1704305577 LNGHBYLXNXFQRZ-VHDGCEQUSA-N 345.361 2.840 0 50 EFAA Cc1ccccc1-n1cc(CN(C)C(=O)c2nsnc2C)cn1 1775982185 LNQXVJMOKVNLPO-UHFFFAOYSA-N 327.413 2.613 0 50 EFAA C[C@@]12CC3CC(C(=O)NC(=S)N4CCOCC4)(C1)C[C@](C)(C3)C2 12436846 ZHGZBTLLWHQADW-DWLODGJJSA-N 336.501 2.716 0 50 EFAA CC[C@H](C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714054 ZRBQMJCJTKJPLP-CQSZACIVSA-N 344.864 2.507 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)s1 19772265 SYAOQBQCQHEIQI-LBPRGKRZSA-N 349.481 2.827 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)c2ccnc(OC(F)F)c2)n1 450588205 VFLKSZWJSJRIAD-QMMMGPOBSA-N 327.356 2.981 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC[C@H]1N 1875242874 GHAHDOXFMPJLIK-NWANDNLSSA-N 344.377 2.806 0 50 EFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3C)C2)n1 408029581 DAMAQBZLPOUHAR-NSHDSACASA-N 341.820 2.518 0 50 EFAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cc(Br)cs1 408523032 GAKRCHVOMOUFHB-AOOOYVTPSA-N 343.246 2.916 0 50 EFAA CCOc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)c(C)c1 657315299 KMPKDGMHEKDKIU-KRWDZBQOSA-N 326.444 2.942 0 50 EFAA COc1ccc(C(=O)Nc2ccc(C(N)=O)nc2)cc1-c1ccccn1 133211414 PXFBTZPUNJBYEP-UHFFFAOYSA-N 348.362 2.503 0 50 EFAA CN1CC[C@@H]2CN(Cc3cnc(SCc4ccccc4)nc3)C[C@@H]21 248108508 GMEXKWTZKBGYCG-MSOLQXFVSA-N 340.496 2.905 0 50 EFAA Cc1nc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2Cl)no1 253416288 SBOZOVQNZKQFIH-UHFFFAOYSA-N 343.836 2.976 0 50 EFAA CO[C@@]1(c2noc(-c3ccccc3N3CCOCC3)n2)CCSC1 903861345 JVKSMUZCIOJXKV-KRWDZBQOSA-N 347.440 2.552 0 50 EFAA Cn1nc(C2CC2)nc1CN1CCc2nc[nH]c2[C@H]1c1ccccc1 931798059 GJALRMNECSOENZ-GOSISDBHSA-N 334.427 2.563 0 50 EFAA COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1OC 109781 BADYCCOWMQBYKC-HNNXBMFYSA-N 343.379 2.958 0 50 EFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 1075327 GEVRVCBYCRVMLP-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA CCOC(=O)c1cnn2c1[C@@H](C)N(Cc1cc3cnccc3[nH]1)CC2 2325821248 YSWWQNZVFUJSIL-GFCCVEGCSA-N 339.399 2.513 0 50 EFAA Cc1cccc(-n2nc(C3CCOCC3)nc2C2COCCOC2)c1 2325849635 VXOGOSOSKQVRLQ-UHFFFAOYSA-N 343.427 2.600 0 50 EFAA NCc1ccc2c(c1)OCCN2C(=O)c1cc2ccnc(Cl)c2[nH]1 2325857325 XOCDBMDPQJSANR-UHFFFAOYSA-N 342.786 2.714 0 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ICSQYWLYROOOJZ-WBMJQRKESA-N 347.390 2.927 0 50 EFAA O=C(NCc1cccnc1)C1CCN(Cc2ccccc2F)CC1 20100494 MNLAIMLFXVTHHZ-UHFFFAOYSA-N 327.403 2.749 0 50 EFAA CCCN(Cc1ccc(F)cc1)C(=O)CSc1nnc(N)s1 55036869 BJFXXQOGQKINAK-UHFFFAOYSA-N 340.449 2.790 0 50 EFAA CC(=O)N[C@@H](C)CC(=O)NCc1cccnc1Oc1ccccc1C 67834019 NAWMQFICHGFRTI-AWEZNQCLSA-N 341.411 2.713 0 50 EFAA Cc1ccc(C(=O)NCC[C@@H]2CCCN(Cc3ccccn3)C2)cn1 67946704 JVWPEMGQSLOLMJ-KRWDZBQOSA-N 338.455 2.817 0 50 EFAA Fc1ccc(-c2n[nH]cc2CNCC2(Cn3ccnc3)CC2)cc1 67742882 IPXKIWNIYHTDHA-UHFFFAOYSA-N 325.391 2.982 0 50 EFAA Cc1ccc([C@@H]2COCCN2C[C@H](O)COc2ccc(F)cc2)o1 116893625 SOXYEWMTDFMJQQ-RDJZCZTQSA-N 335.375 2.540 0 50 EFAA Cc1cnc(NCc2nc(C)c3c(n2)CCCC3)nc1-c1cnn(C)c1 23581162 FTRWDBSQDYHSHN-UHFFFAOYSA-N 349.442 2.775 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1c(C)nc2ccc(Cl)cn12 63870808 YTNOZMZRGFGVEX-UHFFFAOYSA-N 349.822 2.848 0 50 EFAA CCCN(CC(C)(C)O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 348872557 PZVKYWUHDGESGE-UHFFFAOYSA-N 346.431 2.542 0 50 EFAA Cc1ncsc1CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 351593777 OUCZLUBYIQOOJL-SFHVURJKSA-N 331.485 2.520 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)c1cccc(-c2ncn[nH]2)c1 170594320 KCVZMCNDSSZTBF-UHFFFAOYSA-N 337.387 2.821 0 50 EFAA CCNc1nc(C)c(C(=O)N[C@H](CC)c2cn3cccnc3n2)s1 215082863 DDRBISAZBXJCGE-LLVKDONJSA-N 344.444 2.807 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 77455899 SRILPQPQDXBZKL-GOSISDBHSA-N 341.455 2.979 0 50 EFAA CC(C)n1cnnc1CN(C)C(=O)CCC(=O)c1ccc(F)cc1 77422801 QDROSYGEYMWUBT-UHFFFAOYSA-N 332.379 2.620 0 50 EFAA CCN(C)[C@@H](C(=O)N1CCC[C@@H](c2noc(C)n2)C1)c1ccccc1 229562018 FZXIFGWPXJVEMQ-IAGOWNOFSA-N 342.443 2.777 0 50 EFAA COc1cc(-c2nc(-c3ccc(N)cc3)n[nH]2)cc(OC)c1OC 32616705 FYKTYWZHLHOSKY-UHFFFAOYSA-N 326.356 2.747 0 50 EFAA CCCCc1nc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)c(Cl)[nH]1 72431544 AFPZABLLKCQICX-MRXNPFEDSA-N 340.855 2.822 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCCN(C)[C@H]1C 230241902 GBCBXMYUAZMHKN-YJBOKZPZSA-N 325.456 2.993 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC)c1 253394635 IEOKWWHXPFSAMQ-USXIJHARSA-N 333.428 2.860 0 50 EFAA Cc1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)cc1OCC(F)F 150853827 ZUCMJZACPNSCDK-ZDUSSCGKSA-N 349.399 2.950 0 50 EFAA O=C(Nc1nc(-c2cccnc2)cs1)N1CC[C@]2(CCOC2)C1 150830645 KFMCPTVTHCXXCW-INIZCTEOSA-N 330.413 2.849 0 50 EFAA Cn1cnc(-c2ccc(NC(=O)c3cc(-c4ccccn4)no3)cc2)n1 358017226 IRGHNCCFRCMNBP-UHFFFAOYSA-N 346.350 2.784 0 50 EFAA CN(C)[C@@H]1[C@@H](NC(=O)C2(c3ccccc3)CCCCC2)[C@H]2CCO[C@H]21 219437397 GBKMDQBCTFLNLW-FCGDIQPGSA-N 342.483 2.722 0 50 EFAA O=S(=O)(c1c(F)cc(F)cc1F)N1CCOC[C@@H](C2CCC2)C1 366215807 CZOPFADMSSKMCV-NSHDSACASA-N 349.374 2.541 0 50 EFAA O=C(NCCCN1CCc2ccccc21)[C@H]1OCCc2ccccc21 129211401 BDRHWKMLFKMXQM-FQEVSTJZSA-N 336.435 2.869 0 50 EFAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCSc2ccncc21 367483697 NEVLUNZNWRVGII-ZIAGYGMSSA-N 340.452 2.688 0 50 EFAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(F)cn3)CC[C@H]21 72430313 JWRLTDFUNGJZJC-WMLDXEAASA-N 347.434 2.720 0 50 EFAA O=C(C1=Cc2ccccc2OC=C1)N1CCO[C@H](C(F)(F)F)C1 71639071 CSNXCKKMKMQGSU-AWEZNQCLSA-N 325.286 2.766 0 50 EFAA O=C(NCC1(Cc2ccccc2)CCCC1)N[C@@H]1CC[S@@](=O)C1 332826783 AOHWOBVFBKYMAH-WAIKUNEKSA-N 334.485 2.610 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 378388389 NHJSUPIUSBIAHQ-ZACQAIPSSA-N 336.863 2.849 0 50 EFAA O=c1[nH]nc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1Cl 71278865 GYUCCZVGXURWHS-UHFFFAOYSA-N 339.786 2.876 0 50 EFAA CC(C)NC(=O)CN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71774817 VFWRKDWLDITCIT-IBGZPJMESA-N 349.494 2.883 0 50 EFAA Cc1ccccc1[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 227155370 NDOPFIJPFVCCIS-CQSZACIVSA-N 347.436 2.848 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H](CN2CCCCC2)C1 173249591 JNTFZHPXQIHSGU-CQSZACIVSA-N 331.416 2.755 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)no1 280116429 RYLKJEDPGXEREZ-HZMBPMFUSA-N 340.301 2.950 0 50 EFAA CC(C)c1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1F 241588320 PBXWEFUEVSSDTL-SJORKVTESA-N 335.423 2.886 0 50 EFAA CCCc1cc(C(=O)N2CCC(OCc3cccnc3)CC2)no1 82114455 NMDZHHFGEAVYLO-UHFFFAOYSA-N 329.400 2.844 0 50 EFAA CCn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cn1 17071416 ALFMQAKXMCNORD-UHFFFAOYSA-N 341.436 2.971 0 50 EFAA O[C@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 222199830 GFEUQYIYJZZJDC-SUMWQHHRSA-N 333.382 2.827 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2n[nH]c3ccccc23)c1 282361722 FSKTZSISMYJZFF-GUYCJALGSA-N 337.379 2.520 0 50 EFAA Cc1cccc(N2C[C@@H](NC(=O)CCc3scnc3C)CC2=O)c1 82161538 JNPXYVOHXVQUKF-AWEZNQCLSA-N 343.452 2.614 0 50 EFAA O=C(NCCSc1cnn[nH]1)[C@@]1(c2ccccc2)CC12CCCC2 426503090 TWBOEZZBJPPBKI-SFHVURJKSA-N 342.468 2.915 0 50 EFAA CCc1nc(C)c(C(=O)NCc2nc(Cc3cccs3)no2)s1 97681899 HMYYQQGAMFVLKP-UHFFFAOYSA-N 348.453 2.979 0 50 EFAA CC(C)n1cccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91754637 MIAIHPVBLOVBIF-HXUWFJFHSA-N 343.471 2.934 0 50 EFAA O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(SCCO)cc1 92096623 LCNGRBRIVHYTDC-CQSZACIVSA-N 343.448 2.752 0 50 EFAA CCc1cc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)on1 95518472 UTVONZXVMIKIPZ-CQSZACIVSA-N 331.416 2.701 0 50 EFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c(F)c1 426412813 VBBBNANTAPESFY-KRWDZBQOSA-N 342.370 2.591 0 50 EFAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H]1c1ccccc1 97156111 LOLAXWHEMKIHIW-GOSISDBHSA-N 333.395 2.699 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(N2CCOC2=O)CC1 92098691 FAHUGMZXGYAKEC-HNNXBMFYSA-N 328.412 2.550 0 50 EFAA COCC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2COC)c1C 96160420 WYVDWZBRDNVRJI-AWEZNQCLSA-N 349.431 2.613 0 50 EFAA COc1ccccc1-c1ncc(-c2nc3c([nH]2)CCCNC3=O)s1 95519833 KYSDNMILCOMIKH-UHFFFAOYSA-N 340.408 2.885 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)COc1ccc(Cl)cc1Cl 91679650 PAHNEBAJGSXYCF-SNVBAGLBSA-N 340.210 2.910 0 50 EFAA CN(CC(=O)Nc1ccn(C)n1)C[C@@]1(c2ccccc2)CC1(C)C 244626781 FSSJENUVDWYZSY-LJQANCHMSA-N 326.444 2.658 0 50 EFAA Cc1noc([C@H]2CCCCN2Cc2nnc(-c3cccnc3)o2)n1 244794841 QUYSTGVVCMFHGC-CYBMUJFWSA-N 326.360 2.550 0 50 EFAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc2c(c1)OCCCO2 178873773 FUZLUWMGFLYWNT-NSHDSACASA-N 330.384 2.986 0 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CCSc1ccccc1NC(=O)[C@H](CCSC)NC(C)=O 824911518 XLTSMKQHAXMOKL-ZDUSSCGKSA-N 326.487 2.995 0 50 EFAA CCNc1ccnc(NC[C@@H]2CCN(c3cccc(Cl)c3)C2)n1 584884161 GWAFLYPOLUFFQZ-ZDUSSCGKSA-N 331.851 3.500 0 50 EFAA Cc1nc2ccc(CC(=O)NCc3cccc(CN(C)C)c3)cc2[nH]1 584884590 FUJSMTPGPHXDLD-UHFFFAOYSA-N 336.439 2.792 0 50 EFAA Cc1ccc(C)c(N2N=C(C(=O)Nc3cncs3)CCC2=O)c1 408518191 WMOOESVNSHJIQB-UHFFFAOYSA-N 328.397 2.881 0 50 EFAA COCC[C@H]1CCCCN(C(=O)NCc2nccc(OC)c2F)C1 666631545 BXWAFMPDZUKZCK-CYBMUJFWSA-N 339.411 2.578 0 50 EFAA COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CCCO[C@H]2C)cc1 276774776 HNIXPQNUCZOOHV-SNRMKQJTSA-N 346.471 2.763 0 50 EFAA CCOc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1F 278428677 JRAPNUGIISWSLR-UHFFFAOYSA-N 346.450 2.666 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3C3CC3)c12 189729440 AIUZXBHUJXJYRU-INIZCTEOSA-N 328.412 2.747 0 50 EFAA Cc1ccc(C(=O)C2CCN(CC3(CS(C)(=O)=O)CC3)CC2)cc1 677477345 CZPBKWVJPNKCEX-UHFFFAOYSA-N 349.496 2.715 0 50 EFAA CCc1c(NC(=O)[C@@H](C)n2cncn2)cnn1-c1cccc(Cl)c1 192128532 SYKZZFVOLVPBAY-LLVKDONJSA-N 344.806 2.879 0 50 EFAA CCC(CC)[C@@H](CNc1cc(N2CCOCC2)ncn1)N1CCCC1 192272037 MKJWVFDFOLQSBM-QGZVFWFLSA-N 347.507 2.626 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccnn1CC(C)C 648772385 IJRJNQYGHTXWEC-HNNXBMFYSA-N 329.448 2.867 0 50 EFAA COC(=O)Cc1ccccc1NC(=O)c1ncccc1Br 193426519 CLCJRPBYSWBIHJ-UHFFFAOYSA-N 349.184 2.812 0 50 EFAA Cc1nc(-c2ccccc2)c(C(=O)N[C@H]2CCCCNC2=O)s1 193825634 QXUUXERJFSMHJK-ZDUSSCGKSA-N 329.425 2.517 0 50 EFAA CN(C)c1ccc(NC(=O)[C@H]2CCCCC(=O)N2)c(C(F)(F)F)c1 193872105 BEPFGLISHRRFPY-CYBMUJFWSA-N 343.349 2.769 0 50 EFAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1nc2cccnc2s1 193999521 BYMOYOSVUIBFTD-AWEZNQCLSA-N 339.420 2.935 0 50 EFAA CSc1ccccc1C[C@H](C)NCC1CCS(=O)(=O)CC1 195558715 QBMSJLTWGJNNFV-ZDUSSCGKSA-N 327.515 2.754 0 50 EFAA O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)N1CCC[C@H]1CC1CCCC1 654588651 HCSPFLHDTIPLNB-GVDBMIGSSA-N 333.476 2.894 0 50 EFAA CC[C@]1(C)COCCN1S(=O)(=O)c1c(C)ccc2ncccc12 678356646 WHCZKXRTVDRYCQ-QGZVFWFLSA-N 334.441 2.733 0 50 EFAA CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC/C=C/c1ccc(F)cc1 656857535 JEJJNUPIRGOPQV-HLPXUMPJSA-N 342.418 2.665 0 50 EFAA C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCO[C@H]1C1CC1 680108606 BPRFVLXLJFONAE-UONOGXRCSA-N 333.812 2.715 0 50 EFAA Cn1ccnc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1506405645 NBLSOADFOBNXPQ-UHFFFAOYSA-N 338.377 2.804 0 50 EFAA COCc1noc(CN2CCCC[C@H]2CCc2cccc(O)c2)n1 1529195463 KZFSZKPRVVPUHC-HNNXBMFYSA-N 331.416 2.909 0 50 EFAA CCC[C@H]1COC[C@H]2CN(Cc3ccc(OC)c(COC)c3)CCN12 1529114977 WHCFGCXWACEFGD-RBUKOAKNSA-N 348.487 2.527 0 50 EFAA O=C(O)c1cccnc1N1CCC2(CC1)OCCc1sccc12 1704311728 AQTQSMRZUKGPIF-UHFFFAOYSA-N 330.409 2.910 0 50 EFAA CCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1C(=O)O 216354832 ABDRTIWIYYWYHV-GJZGRUSLSA-N 341.411 2.958 0 50 EFAA CC(C)(C)OC(=O)NCCCN(CCCCN)C(=O)OC(C)(C)C 13550514 GQZZMJDEWJRWRP-UHFFFAOYSA-N 345.484 2.877 0 50 EFAA CN(Cc1ncc[nH]1)C(=O)c1cc(COc2c(F)cccc2F)on1 13636849 ULSRKYASAQDDBX-UHFFFAOYSA-N 348.309 2.527 0 50 EFAA CC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 14048202 NKCJGNVAQYUVBZ-UHFFFAOYSA-N 336.388 2.765 0 50 EFAA CCc1cc(C)cc(OC[C@@H](O)Cn2c[n+](C)c3ccccc32)c1 15746051 DGCSLHPUZUANTA-KRWDZBQOSA-N 325.432 2.777 0 50 EFAA Cc1cccc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 15879975 SLOGRGBJKDQVOV-HOTGVXAUSA-N 326.396 2.665 0 50 EFAA CCNS(=O)(=O)c1cc(-c2ccc(N(CC)CC)nn2)ccc1C 17070396 GOHYUZRVYZPOJF-UHFFFAOYSA-N 348.472 2.596 0 50 EFAA C[C@H]1CCCN(CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 19837667 ZWBSTPVRUBWSGO-KRWDZBQOSA-N 340.471 2.953 0 50 EFAA COCCn1ccnc1-c1nccn1-c1c(C)nn(C(C)C)c1C 1857688287 ARBDMNQVDLPEHX-UHFFFAOYSA-N 328.420 2.776 0 50 EFAA COc1c(Br)cccc1CCNc1ncnc2nc[nH]c12 301819931 ATWDSYWPLZAQFY-UHFFFAOYSA-N 348.204 2.779 0 50 EFAA CCc1ccc2occ(C(=O)N3CCN(c4ncccn4)CC3)c2c1 225491233 SJTIZHZDVJAOJG-UHFFFAOYSA-N 336.395 2.748 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)c1 643606473 FIKRULBHEVVTMN-PMACEKPBSA-N 344.499 2.981 0 50 EFAA Cn1ccnc(NCC2CCN(Cc3ccccc3Cl)CC2)c1=O 253428715 NVYVNQACCVSSOT-UHFFFAOYSA-N 346.862 2.758 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 261790352 YVXSQNROACOWMA-CQSZACIVSA-N 333.384 2.707 0 50 EFAA CCN(C)C[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2N)C1 374042418 VZUPETMTVYXWNT-OAHLLOKOSA-N 338.455 2.745 0 50 EFAA O=C(c1cccc2ccc(O)nc12)N1CC[C@@H](OCc2ccncc2)C1 377695737 MOUFSNGZKIBEIF-MRXNPFEDSA-N 349.390 2.767 0 50 EFAA O=C(NC1(C(=O)O)CCC1)c1cc(Br)ccc1Cl 164865344 ANGIDRSDQGRWQD-UHFFFAOYSA-N 332.581 2.840 0 50 EFAA Cn1cc(CCNC(=O)c2ccc(NCC3CC3)nc2)c2cccnc21 826844314 RGJIRCMGAMDVDF-UHFFFAOYSA-N 349.438 2.763 0 50 EFAA O=C(CN1CCC(Oc2ccccc2Cl)CC1)Nc1cccnn1 930083012 CHKABFBQGYHZDS-UHFFFAOYSA-N 346.818 2.612 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 934542393 WCOFTCOCMFDMAZ-CQSZACIVSA-N 340.427 2.625 0 50 EFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccno1)O2 935261025 VFXAVRXNNCTCNV-GOSISDBHSA-N 330.384 2.706 0 50 EFAA Cc1nc(NC[C@@H](O)C2CCOCC2)sc1C(=O)OC(C)(C)C 863949190 RSLXLOSNTZMORA-GFCCVEGCSA-N 342.461 2.606 0 50 EFAA O=C(O)CCN(Cc1ccccc1)C(=O)c1cccc2c1COCC2 952886724 GERYOBSDTYOULA-UHFFFAOYSA-N 339.391 2.876 0 50 EFAA Cn1ccnc1CCC(=O)N1CC[C@H](CSc2ccccc2)C1 952995018 AIUQYVHAIKYACP-HNNXBMFYSA-N 329.469 2.994 0 50 EFAA COc1cc(S(=O)(=O)Nc2noc(C(C)(C)C)c2C)sn1 1875279970 NDJIFHHANWZSIV-UHFFFAOYSA-N 331.419 2.546 0 50 EFAA O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@H](O)C2(CCC2)C1 1875303717 KMPBFTAVKDVTJX-STQMWFEESA-N 329.318 2.678 0 50 EFAA Cc1nn2c(c1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)CCC[C@@H]2C 1875318937 MLZVDLJGDOWUBB-UBHSHLNASA-N 333.432 2.710 0 50 EFAA Cc1ncsc1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 886550474 BNDXHZNYVQZPEV-UHFFFAOYSA-N 326.381 2.741 0 50 EFAA Cc1ccc(CNC(=O)N[C@@H]2CCCCC23CCNCC3)nc1C 891952325 GSWNJFMYIFUAOQ-QGZVFWFLSA-N 330.476 2.810 0 50 EFAA CCc1csc(N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 895579220 KBWJUTOSPVAABR-UHFFFAOYSA-N 343.452 2.867 0 50 EFAA C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCC(F)F)C1 1775994760 BEKOKWANMVMSAA-DZGCQCFKSA-N 346.443 2.787 0 50 EFAA COCCn1ncc2c1[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)CCC2 1775986515 AUMIEMUDBMIFPX-MRXNPFEDSA-N 344.459 2.864 0 50 EFAA COc1ccc(CCNC(=O)[C@H]2OCCc3ccccc32)cc1OC 528977 UNAPRPDBOFYNGL-IBGZPJMESA-N 341.407 2.677 0 50 EFAA biogenic CC(C)(C)c1ccc(CN2CCC3(CC2)C[C@@H](C(=O)O)CO3)cn1 2325788215 SWXNHDONZDNVPW-OAHLLOKOSA-N 332.444 2.835 0 50 EFAA COc1cccc(OC)c1CN(C)C1=NC[C@H](c2ccccc2)N1 2325863854 ZBGPQPLPBBHUQN-MRXNPFEDSA-N 325.412 2.836 0 50 EFAA COc1cc(NC(=O)[C@H](C)Oc2ccccc2)c(C(=O)O)cc1OC 54502 LKEPKOUIYQXLDG-NSHDSACASA-N 345.351 2.808 0 50 EFAA COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C 135449 LZJRNLRASBVRRX-ZDUSSCGKSA-N 327.380 2.867 0 50 EFAA endogenous,in-man CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)cc1Cl 306936 PAPYSBZXHVVDIF-NSHDSACASA-N 330.240 2.532 0 50 EFAA O=C(COc1ccccc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 350761 FCAOAUIDNHIKDJ-IUODEOHRSA-N 342.317 2.705 0 50 EFAA COc1cccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC 432752 XGTVXJXYSLSUEW-OAHLLOKOSA-N 348.399 2.626 0 50 EFAA CC(=O)Oc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 1067105 ROWOPZMRANTPEE-UHFFFAOYSA-N 337.335 2.592 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3cccc4c3COC4)CC2)ccn1 2356143835 AICLZTJBZBCPPS-UHFFFAOYSA-N 337.423 2.773 0 50 EFAA C[C@H]1CN(C(=O)c2ccccn2)Cc2nnc(CCc3ccccc3)n21 2356143980 FIHYOVFXTCSJIA-HNNXBMFYSA-N 347.422 2.675 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)c2conc2-c2ccccc2)C1=O 2356156120 SCKRCJYZEYPSNV-LJQANCHMSA-N 339.395 2.569 0 50 EFAA CSc1nsc(SCC(=O)NCc2ccc(C)cc2)n1 4748708 UJTNSDQSCPYIIP-UHFFFAOYSA-N 325.484 2.977 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F 6702887 UNXJDJSSUDVNDV-CYBMUJFWSA-N 342.370 2.987 0 50 EFAA COc1cnccc1-c1noc(-c2cc3ccccc3c(=O)n2C)n1 347158498 VADRWEKYQOGNAY-UHFFFAOYSA-N 334.335 2.659 0 50 EFAA CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)c1ccco1 9418342 LNGPDLMCJNCYFY-UHFFFAOYSA-N 326.356 2.962 0 50 EFAA Cc1cc(C)cc(N(Cc2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 20060602 CPJMJHNHSXLWFD-UHFFFAOYSA-N 333.409 2.968 0 50 EFAA CC(C)c1nccc(N[C@H]2CCCN(c3ccccc3F)C2=O)n1 341380083 QFFDTIPBMDFISU-AWEZNQCLSA-N 328.391 3.347 0 50 EFAA C[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 53495085 WUDAATVISCHTDI-HOCLYGCPSA-N 332.419 2.936 0 50 EFAA C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCC[C@H]1C 245267938 NGKWVPZDNFXGRL-IPYPFGDCSA-N 347.411 2.698 0 50 EFAA COc1cc(CN2CCN(CCC(C)C)[C@H](CCO)C2)ccc1F 104382613 TZIKDJSMOFUICX-QGZVFWFLSA-N 338.467 2.749 0 50 EFAA CCC(C)(C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 65363945 RMAVAJBKZZLUOI-UHFFFAOYSA-N 332.853 2.654 0 50 EFAA NC(=O)c1ccc(NC(=O)CCN[C@H]2CCCc3ccccc32)cc1 65408087 XJZJXAFECJIQTJ-SFHVURJKSA-N 337.423 2.781 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3cccc(Cn4cccn4)c3)C2)n[nH]1 215896681 CTTZYFUCAWOEKE-SFHVURJKSA-N 336.443 2.738 0 50 EFAA CCCc1ccc(-c2cc(NC(=O)Cc3c(C)n[nH]c3C)n[nH]2)cc1 351665353 MQDSRPPAVPJMPJ-UHFFFAOYSA-N 337.427 3.550 0 50 EFAA CC(C)[C@@H]1CCCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 229669133 GTOLUKWSVALUIG-ZQIUZPCESA-N 327.490 2.832 0 50 EFAA Cc1sc2nc([C@H](C)N3CCC[C@@H](CCO)C3)[nH]c(=O)c2c1C 229718058 HSDUQOPFIXEAGY-AAEUAGOBSA-N 335.473 2.757 0 50 EFAA COc1cccc(NC(=O)NC[C@@H]2CCN(Cc3cc(C)no3)C2)c1 67982068 LGRGNUZYFGEDFF-AWEZNQCLSA-N 344.415 2.635 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 252497907 HVBNXQOTSLFWRB-BMFAXAFESA-N 338.407 2.509 0 50 EFAA Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1nnnn1C1CC1 252488914 JBMLEJOINDIHDJ-CYBMUJFWSA-N 348.410 2.869 0 50 EFAA CCn1ccc2cc(CN3CCN(Cc4nccn4C)CC3)ccc21 215620020 IWQLDEPRTDEWRA-UHFFFAOYSA-N 337.471 2.713 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c2cccnc12 230059544 VGEVBMRSFXPRIU-HZPDHXFCSA-N 346.452 2.875 0 50 EFAA CCCC[C@H](COC)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 252512033 LQTUHVIOFUUOGJ-XUVXKRRUSA-N 334.504 2.664 0 50 EFAA CC1(C)[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@H]2CCCO[C@H]21 230130160 SFHGBLIWDNMQFF-RAIGVLPGSA-N 344.381 2.701 0 50 EFAA Cc1nc2nc(CN3CCCCC[C@@H]3c3ccco3)cc(O)n2n1 77385237 OHSHQTFJPVAQNO-CQSZACIVSA-N 327.388 2.849 0 50 EFAA O=S(=O)(Nc1cn[nH]c1)c1ccc(Cl)cc1Br 253397203 KRDKMYCSVOMSNI-UHFFFAOYSA-N 336.598 2.626 0 50 EFAA Cc1cc(NC[C@@H]2COc3ccccc3O2)nc(-c2ccccn2)n1 356602269 RBVVRCMBOMWESD-CQSZACIVSA-N 334.379 3.099 0 50 EFAA Cn1cnnc1[C@H]1CN(Cc2cccc(Cl)c2Cl)CCO1 328640759 QECSMBBLXKTXCL-GFCCVEGCSA-N 327.215 2.695 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ncc(Br)cn1 330629304 MVLBGQITGACERG-HTQZYQBOSA-N 334.164 2.852 0 50 EFAA O=C(CCc1ccccc1O)N1CCC(C(=O)N2CCCCC2)CC1 363249000 QLSSTHJOEUAEJV-UHFFFAOYSA-N 344.455 2.576 0 50 EFAA CN1C(=O)CCN(C(=O)[C@@H]2CCC(F)(F)C2)c2ccc(F)cc21 373728897 LPQUIBVJHDYBKH-SNVBAGLBSA-N 326.318 2.961 0 50 EFAA c1cc(CN2CCN(c3ccc4nccn4n3)CC2)c2cc[nH]c2c1 215151179 XVZMPPMBFVOPQN-UHFFFAOYSA-N 332.411 2.533 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)N2C[C@H](C)Cc3ccccc32)c1 332060088 PKJJLRZANGPYRE-CQSZACIVSA-N 333.457 2.927 0 50 EFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cnc(-c2cccs2)nc1 219961657 YJASEAAKHHYITG-UHFFFAOYSA-N 341.440 2.828 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1cnn2ccccc12 377211325 CSJWHRYRTWXCPP-HNNXBMFYSA-N 349.438 2.884 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2csc(C)n2)[C@H](C)C1 72426717 VFFRKYBWPLAZDH-GFCCVEGCSA-N 331.441 2.811 0 50 EFAA C[C@@H]1C[C@H]1c1nnc2ccc(N3CCC4(C3)Oc3ccccc3O4)nn12 333703684 OOPAEXKNMWKDFG-CHWSQXEVSA-N 349.394 2.626 0 50 EFAA C[C@](CC(=O)O)(NC(=O)c1ccnc(C2CC2)n1)c1cccc(F)c1 449004094 QHLZWWCREDMUCJ-GOSISDBHSA-N 343.358 2.613 0 50 EFAA CC(C)=CC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 61688097 PLGBPVWOCHPOBA-LJQANCHMSA-N 345.462 2.905 0 50 EFAA CC(C)N1C[C@@H](n2ccnc2-c2ccccc2Cn2cccn2)CC1=O 82087604 FYWPRYPCQRNCGK-KRWDZBQOSA-N 349.438 2.977 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(C)CCOCC1 129996904 GYFKUWCHPHDLSC-UHFFFAOYSA-N 327.428 2.717 0 50 EFAA CCCc1cc(C(=O)NCc2cc3cc(OC)ccc3[nH]2)n(C)n1 82096666 GMNIIRPEVIFJFI-UHFFFAOYSA-N 326.400 2.793 0 50 EFAA CN(Cc1cccc2cnccc12)C(=O)Cc1ccc(OCCN)cc1 426538741 ZNXAZBJNAXTMAF-UHFFFAOYSA-N 349.434 2.773 0 50 EFAA Cc1ncnc(N2CCN(C(=O)c3nc(C(C)C)cs3)CC2)c1C 222311992 KFWISXHCVTVFLH-UHFFFAOYSA-N 345.472 2.636 0 50 EFAA CCCc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)no1 82097815 MDVHGKBFXSSJCX-LBPRGKRZSA-N 325.372 2.699 0 50 EFAA CCCO[C@H]1CCCN(C(=O)NCc2cccc(-n3cccn3)c2)C1 426690490 AMWQTEJSUMFBSV-SFHVURJKSA-N 342.443 2.973 0 50 EFAA Cc1c(CCNC(=O)N2CCC[C@H](O)C2)c2cccc3c2n1CCC3 426584844 RMMCBCAVESFDLA-INIZCTEOSA-N 341.455 2.605 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(CCn3cccn3)CC2)c1C 82107145 XOHZVIKIWWXCGI-UHFFFAOYSA-N 342.443 2.973 0 50 EFAA O=C(Cc1ccc2ccccc2c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286411604 RKTAJUOQYFOZIJ-XUVXKRRUSA-N 339.435 2.771 0 50 EFAA CC(C)C[C@H](CC(=O)O)NC(=O)N(Cc1cccc(O)c1)C1CC1 426535183 ORBDGWSWMIFCRL-CQSZACIVSA-N 334.416 2.956 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)COC(=O)O4)[nH]n2)s1 91934974 FMZXQRLAWJQUBD-UHFFFAOYSA-N 347.396 2.588 0 50 EFAA CCCn1cnnc1[C@@H](C)NC(=O)C1CCN(C2CCCCC2)CC1 95360406 NOSWCMOOBJWESW-OAHLLOKOSA-N 347.507 2.910 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2ccc3nsnc3c2)n1 426723885 OCHDFQDLBWRGIO-CYBMUJFWSA-N 341.440 2.930 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 91736209 OSEMXSGISTULCW-HXUWFJFHSA-N 345.439 2.909 0 50 EFAA O=C(O)c1cc(OCC2CCC2)cc(C(=O)NCc2ccncc2)c1 97745050 XAUPMQMBHQMEDL-UHFFFAOYSA-N 340.379 2.889 0 50 EFAA COCC[C@@H]1CCCCN1C(=O)Cn1c(C)cc(=O)c2ccccc21 95528197 XTZRDVIBQJWKIG-INIZCTEOSA-N 342.439 2.728 0 50 EFAA CCCc1nnc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 95525497 ZQCICGALSLTJFB-CQSZACIVSA-N 348.520 2.633 0 50 EFAA O=C(c1ccccn1)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96151564 VUPBOPNPNVEAAC-UHFFFAOYSA-N 340.333 2.948 0 50 EFAA Cc1nc(C(C)C)oc1C(=O)NC1CCN(C(=O)c2ccco2)CC1 292000573 MDZCPRUZMPXCRB-UHFFFAOYSA-N 345.399 2.734 0 50 EFAA Cn1nc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)c2c(Cl)cccc21 244678607 IGRLCNXDSLBISX-PHIMTYICSA-N 343.818 2.867 0 50 EFAA Cc1cnn(CC2CCN(C(=O)c3c(O)nc(C)c(C)c3C)CC2)c1 253537219 DEBXCWQOZUNYGJ-UHFFFAOYSA-N 342.443 2.770 0 50 EFAA CC1CCN(C(=O)C2CCN(Cc3cccc4nccn34)CC2)CC1 179793958 LVZBTOMORHYJLS-UHFFFAOYSA-N 340.471 2.805 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)NCC2(Cn3ccnc3)CC2)c1 534653380 MAGWHBPKGQQZJG-INIZCTEOSA-N 341.459 2.639 0 50 EFAA 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COC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 445232 GSDUQMUEANKRGV-RYUDHWBXSA-N 326.418 2.817 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cn3nc(C(F)F)cc3C)C[C@H]21 2356149773 AVJNBSKLCPZMOT-AHIWAGSCSA-N 341.402 2.529 0 50 EFAA Cc1nc(C(=O)Nc2nnc(CCC(=O)c3ccccc3)s2)co1 2356170845 WGMOGRBUJLKRBZ-UHFFFAOYSA-N 342.380 2.902 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)cc(C)c2)cc1 6426888 RIYCOWLIBIPPQZ-UHFFFAOYSA-N 333.409 2.892 0 50 EFAA Fc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 6745095 HDQNKAKVGCUQAE-UHFFFAOYSA-N 329.404 2.683 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cnc(C3CC3)nc2O)C12CCC2 864070447 QWUKGXJYJRDKGC-UONOGXRCSA-N 345.443 2.916 0 50 EFAA Cc1nc(C2(NC(=O)NC[C@@H]3CCc4ccccc4C3)CCC2)no1 117499049 GFLRUIZZHQSWLX-CQSZACIVSA-N 340.427 2.862 0 50 EFAA Cc1n[nH]c(-c2ccc(NC(=O)CCc3c(C)nn(C)c3C)cc2)n1 50896971 UEMFOUDKDYWYCN-UHFFFAOYSA-N 338.415 2.702 0 50 EFAA Cc1cc(C(=O)NCC[C@H]2CCNC2)c(C)cc1Br 422800675 CQLFTULSAZWCNA-GFCCVEGCSA-N 325.250 2.795 0 50 EFAA 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C[C@@H](CN1CCCCC1)c1ncnn1-c1ccc2c(c1)OCCO2 822279843 YSYMLNLGZZXIJS-AWEZNQCLSA-N 328.416 2.628 0 50 EFAA CC[C@@H](c1nc(-c2c[nH]c3ccccc23)nn1CCO)n1cccn1 828776683 IJORUWZBIJEISM-INIZCTEOSA-N 336.399 2.615 0 50 EFAA CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)OC1CCC1 952993044 VINXNBQPTORDEN-SECBINFHSA-N 332.326 2.524 0 50 EFAA COc1cc(CN(C)CCC(=O)N2CCc3ccccc3C2)sn1 952995630 RZXGKHHQHNHDSL-UHFFFAOYSA-N 345.468 2.559 0 50 EFAA C=CC(=O)N(CC)CC(=O)NCCc1csc2sc(C)cc12 1875367029 MXCABVOIVYUHLZ-UHFFFAOYSA-N 336.482 2.964 0 50 EFAA COC1CC2(C1)C[C@H]2NC(=O)c1cc(-c2cccs2)cnc1O 1875392793 UPFIGPHTYJDZBA-CHHLVHLRSA-N 330.409 2.813 0 50 EFAA C[C@@H](CNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ncccc1F 1875313453 QWVWUFYNGUWOSA-VFZGTOFNSA-N 340.757 2.967 0 50 EFAA c1ccc(-c2nc3ccccc3c(=N[C@H]3COC[C@@H]3C3CC3)[nH]2)nc1 1875361280 WHYJKEFCPOYYNY-QAPCUYQASA-N 332.407 2.951 0 50 EFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565507725 SUMHSUZSNDTIPV-APWZRJJASA-N 339.414 2.957 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)c1ccccc1-n1cncn1 952872199 KMEPIGMGTRGQHD-UHFFFAOYSA-N 330.351 2.705 0 50 EFAA O=C(Nc1cnn(C2CCC2)c1)c1cc(N2CCNC2=O)ccc1F 889060401 GBBSBPJUVOTTTA-UHFFFAOYSA-N 343.362 2.529 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cc2n(n1)CCCO2 1337555107 LDLBXBRDSHKJCR-KRWDZBQOSA-N 348.406 2.774 0 50 EFAA C[C@@H](Cn1cccn1)NC(=O)C1(C)CCN(Cc2ccccc2)CC1 273192211 IHFOKHXGHNXDNG-KRWDZBQOSA-N 340.471 2.690 0 50 EFAA O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(O)nn1 170085198 RBWYBIVFUMUCAI-UHFFFAOYSA-N 346.293 2.687 0 50 EFAA c1ccc(-c2nc(CNc3cccnc3N3CCOCC3)c[nH]2)cc1 170689618 CMLMGNYGMOHKDU-UHFFFAOYSA-N 335.411 2.920 0 50 EFAA C[C@H](Oc1cccnc1)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 187242660 GKHRFKVOXNITRK-LBPRGKRZSA-N 337.383 2.798 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)n1 281381294 XESDECHXPMWDRF-AWEZNQCLSA-N 330.388 2.543 0 50 EFAA COCc1csc(NC(=O)N(C)CC2(O)CCCCCC2)n1 189052216 YWXTUSIBMRBELH-UHFFFAOYSA-N 327.450 2.839 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F 189377588 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2.854 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CCCCC1 12302940 JNUPNSSIYADHNM-LJQANCHMSA-N 334.435 2.602 0 50 EFAA CCCCn1ccc2c(cnc3nc(-c4ccc(OC)cc4)nn32)c1=O 12407042 ULYSADPBJIIAEE-UHFFFAOYSA-N 349.394 2.915 0 50 EFAA CCn1ccnc1CN(C)Cc1nc(Cc2cccc(F)c2)no1 12437650 PMHXBCSRJFEEKP-UHFFFAOYSA-N 329.379 2.648 0 50 EFAA Cc1nnc2sc(-c3ccc(CNC(=O)c4ccco4)cc3)nn12 13945853 POIHQCWIEKIJJN-UHFFFAOYSA-N 339.380 2.684 0 50 EFAA O=C(NCc1ccc(-c2ccccc2)o1)c1ccc(-n2cnnn2)cc1 16649839 SCLWQJQKKBOXRE-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 16650529 GYEWLVQPMTUFRA-INIZCTEOSA-N 338.382 2.764 0 50 EFAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccncc1 169779546 SRLZQAPXMYAHHB-ZDUSSCGKSA-N 339.424 2.542 0 50 EFAA Cc1cc(C)nc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1 157630080 GYDKUZLDJMJTMZ-UHFFFAOYSA-N 336.395 2.802 0 50 EFAA O=C(c1ccco1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857675188 NFXXDQUTGMRUNH-ZSZQSSIHSA-N 325.364 2.970 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(CCCn1cccn1)CC2 1857701735 ZMUWQJYJESDWSG-UHFFFAOYSA-N 335.455 2.775 0 50 EFAA O=C(C1CCC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857724407 CCRGHAYONHHGEC-OALUTQOASA-N 328.456 2.851 0 50 EFAA C[C@@H](NC(=O)COC1CCNCC1)c1ccc(Cl)cc1Cl 111795209 JYGGNTLMUMEGQE-SNVBAGLBSA-N 331.243 2.939 0 50 EFAA O=C(NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1)[C@H]1CC=CCC1 11909269 RTMPHTGKRMGRPH-WMLDXEAASA-N 335.407 2.920 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2C=CCCC2)C1 249400429 BKNZVMNQEGKFGT-ZWKOTPCHSA-N 328.460 2.654 0 50 EFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@@H](N)C1 157857554 QTKAMBKFDRWCJH-GFCCVEGCSA-N 341.249 2.800 0 50 EFAA O=C(c1ccnc(-n2cncn2)c1)N1CCCCC[C@@H]1C(F)(F)F 906185834 YZGGDFQREIKVLA-GFCCVEGCSA-N 339.321 2.609 0 50 EFAA Cc1ccc2c(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)cnn2c1C 826801097 KWOFVKRPGMBHKL-UHFFFAOYSA-N 337.427 2.899 0 50 EFAA Oc1cc([C@@H]2CCN(Cc3cnc(-c4ccccc4)o3)C2)nc(O)n1 930843547 WZXDOVIPHANFSD-CYBMUJFWSA-N 338.367 2.532 0 50 EFAA O=C(NCc1cnn(CCF)c1)Nc1cscc1Br 931627057 KHWJVNQXEJMPBR-UHFFFAOYSA-N 347.213 2.998 0 50 EFAA O=C(c1ccc(OC(F)F)nc1)N1CCC(Cc2ncc[nH]2)CC1 935950268 UJMUQDWNOIFRAT-UHFFFAOYSA-N 336.342 2.501 0 50 EFAA O=C(NCc1cccc2c1OCC2)c1csc([C@@H]2CCCO2)n1 857812386 SWYCXDCYMIDFOK-AWEZNQCLSA-N 330.409 2.860 0 50 EFAA COC(=O)/C(=C\OCc1ccccc1)N1C(=O)c2ccccc2C1=O 5037764 OXFSZXDKFIPLIZ-FOWTUZBSSA-N 337.331 2.514 0 50 EFAA CO[C@H]1CC[C@H]1CC(=O)N1CCC(c2ccccc2C(=O)O)CC1 2325802985 IIPCHHHTXZNSDX-YOEHRIQHSA-N 331.412 2.906 0 50 EFAA c1cnn(-c2ccnc(-c3noc(Cc4ccc5c[nH]nc5c4)n3)c2)c1 2325873944 ZROVQJGTOYBNSU-UHFFFAOYSA-N 343.350 2.784 0 50 EFAA Cc1nn(CC(=O)N(CC(C)C)c2ccc(F)cn2)c2ncccc12 905985292 SMECEPDXILCWBT-UHFFFAOYSA-N 341.390 2.963 0 50 EFAA CC(C)Oc1ccc([C@H]2CCC[C@@H]2NC(=O)c2cnnn2C)cc1 240333430 FDFLZIFGGIGKAX-CVEARBPZSA-N 328.416 2.668 0 50 EFAA COc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1OC 450368 HLBMHPXRVPUYOK-ORAYPTAESA-N 342.395 2.969 0 50 EFAA C[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 608773 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EFAA CN(CC(=O)Nc1ccccc1)C(=O)C[C@@H]1OCCc2ccccc21 115025849 AIXOJWJBSPNAHU-SFHVURJKSA-N 338.407 2.788 0 50 EFAA CC[C@@H]1CN(C(=O)CN2CC[C@@H](CSc3ccccc3)C2)CCO1 229351165 VWVNDMXJLAHNCG-IAGOWNOFSA-N 348.512 2.738 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 229657225 JQKCSMAMABTEKU-YQQAZPJKSA-N 347.459 2.801 0 50 EFAA Cn1cc([C@@H]2CCCN2C[C@@H](O)COCc2ccccc2Cl)cn1 229814576 HANWVIZTAVHCID-AEFFLSMTSA-N 349.862 2.788 0 50 EFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C[C@@H](O)C2CCCCC2)C1 249061587 JOOLGMSICGAKTG-ZWKOTPCHSA-N 349.450 2.963 0 50 EFAA CC(=O)N(C1CCC1)[C@H]1CCCN(Cc2nc(C)ccc2O)CC1 328629617 IKNXBYFNVZZDBR-KRWDZBQOSA-N 331.460 2.851 0 50 EFAA CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 20212458 BRRSTLPXYAZGEW-UHFFFAOYSA-N 344.480 2.756 0 50 EFAA C[C@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328633325 SLYSYZUUCGXKDD-BOLBYERCSA-N 345.487 2.881 0 50 EFAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1CC1CCCCC1 39430352 HVYHPMAKDWCJLU-LJQANCHMSA-N 332.488 2.841 0 50 EFAA C[C@H](C(=O)NCCc1[nH]nc2c1CCCC2)n1cnc2ccccc21 65375000 JINNHLXUCNKWEM-CYBMUJFWSA-N 337.427 2.558 0 50 EFAA Cc1ccc(-n2c(CCc3c(C)n[nH]c3C)n[nH]c2=O)cc1Cl 67677322 KBWRNZPSZVIEKX-UHFFFAOYSA-N 331.807 2.648 0 50 EFAA Cc1cccc(C)c1OC1CN(CCC(=O)Nc2nccs2)C1 65433374 URCOFLNAMYQJDX-UHFFFAOYSA-N 331.441 2.852 0 50 EFAA CCc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2cc3[nH]ncc3cc21 67907859 MEDSITQOBHKJEB-JTQLQIEISA-N 329.791 2.986 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cn3ccnc3-c3ccccc3)C2)n1 67947681 HKMRQLIMNNIYKR-GOSISDBHSA-N 349.438 2.837 0 50 EFAA CC1(C)CC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC(C)(C)N1 32104028 ZLMRFHOUTWHVBE-UHFFFAOYSA-N 342.369 2.864 0 50 EFAA CC1=NO[C@](C)(C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 67677041 BQJLSQNFGHQKMX-IBGZPJMESA-N 349.394 2.592 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(Cc2nc(-c3ccco3)no2)C1 65526347 CBKBYENAWMDUEF-SFHVURJKSA-N 325.368 2.732 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc2c(F)c(F)ccc2[nH]1 252511424 GQXBTRGIPWOQCV-LZIQXYIHSA-N 348.349 2.764 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2F)cc1 2581568 ZIVHYCFIPGLFMP-UHFFFAOYSA-N 326.324 2.784 0 50 EFAA CCC1(CC)[C@@H](NC(=O)Nc2ccc(C(F)(F)F)nn2)C[C@@H]1OC 332932489 IERPRBMFJUSVFB-QWRGUYRKSA-N 346.353 3.211 0 50 EFAA O=C(Cc1ccsc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 215414725 KUPIIFKNYZMDDJ-IBGZPJMESA-N 340.492 2.992 0 50 EFAA NC1(CNC(=O)Nc2ccn3ccnc3c2)C2CC3CC(C2)CC1C3 333342875 QARHABSJDVRGRY-UHFFFAOYSA-N 339.443 2.609 0 50 EFAA CSc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 125036661 YTFOUTCJPGLDFW-MRXNPFEDSA-N 345.468 2.728 0 50 EFAA CSc1ccc(C)c(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 253418383 QEJUYKWQNZETNN-KGLIPLIRSA-N 337.489 2.636 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)Cc2c(C)nc(N)nc2C)c(C)s1 77299255 WHWXGSHAIOLCER-SNVBAGLBSA-N 333.461 2.511 0 50 EFAA COC[C@@](C)(NC(=O)c1cnn(-c2ccccc2C)c1)C(F)(F)F 362205048 QXPIRJNJABSEAL-OAHLLOKOSA-N 341.333 2.878 0 50 EFAA Cc1ccccc1-n1cc(C(=O)NC[C@@H](C(=O)O)c2ccccc2)cn1 362779071 CPBMSHSEKDMVQE-QGZVFWFLSA-N 349.390 2.779 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)NCc1ccnc(-n2ccnc2)c1 363340282 NLWNEENNJQDVRW-UHFFFAOYSA-N 345.406 2.916 0 50 EFAA Cn1ncc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c1-n1cccc1 363411187 LZZMWYZBASXNRM-MRXNPFEDSA-N 336.395 2.504 0 50 EFAA CCc1noc(C)c1NC(=O)N1CCN(c2ccccc2O)CC1 155570612 ADTIGBKGFKDKQS-UHFFFAOYSA-N 330.388 2.605 0 50 EFAA O=C(NC[C@H](c1cccs1)N1CCOCC1)N1CC[C@H]2CCC[C@@H]21 487903059 AACZNQRMEHGEHH-OWCLPIDISA-N 349.500 2.705 0 50 EFAA C[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)c2ccccc2S1 156343959 VXMGODREUFUWLN-NSHDSACASA-N 327.471 2.727 0 50 EFAA NCCc1cccc(CN2CCCN(Cc3cccs3)CC2)c1 72411826 NDYBOGCZSACVMF-UHFFFAOYSA-N 329.513 2.957 0 50 EFAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2 72163848 IPRAHMZBOANZSG-UHFFFAOYSA-N 335.411 2.531 0 50 EFAA COc1ccc(F)c(C(=O)N2CC[C@@H](C3CCOCC3)C2)c1OC 375500408 YFOXWLHWZKTHBR-CYBMUJFWSA-N 337.391 2.732 0 50 EFAA Cc1c(C(=O)N2CCC[C@H]2c2ncc[nH]2)cnn1Cc1ccccc1 377241360 FJDMJGDVPIXYHV-KRWDZBQOSA-N 335.411 2.940 0 50 EFAA CCCn1c(C)nnc1CN1CC[C@H](CNc2cccc(C)n2)C1 159141328 LDQZVARNQYJOEQ-MRXNPFEDSA-N 328.464 2.634 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286313934 NRIDSFBNSHIDFD-OTWHNJEPSA-N 341.407 2.949 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc([S@](C)=O)cc3)C2)c1 175794914 LHMPULBQHUFENW-MYYSRTQBSA-N 346.456 2.798 0 50 EFAA Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Oc3ccccc3)o1)CC2 176262359 NHDMKBMYKKXOEI-CYBMUJFWSA-N 338.367 2.717 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(O)c1 84544155 YSZFCIOQLMLJEH-UHFFFAOYSA-N 345.395 2.753 0 50 EFAA CCc1nc(C)c(C(=O)NCc2cccnc2OCC(F)(F)F)o1 292504396 CPFQEHZPYTUAQE-UHFFFAOYSA-N 343.305 2.812 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cnn3cccnc23)cc1 426477778 RZYXOTGKHIBNET-QGZVFWFLSA-N 349.438 2.610 0 50 EFAA COc1ccc(C(=O)O)nc1-c1ccc([C@@H](C)N2CCOCC2)cc1 223822860 HGQRTSNHUJZYLC-CYBMUJFWSA-N 342.395 2.849 0 50 EFAA COc1cccc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)c1 292712614 RNVJOZIJSDKBAE-UHFFFAOYSA-N 327.384 2.615 0 50 EFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)CCn1cccn1 223464817 ATNCITFTVWTUAV-UHFFFAOYSA-N 331.807 2.504 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1cc(C)on1)CC2 426690214 BTTWEIRNQORJRY-UWWQBHOKSA-N 334.416 2.562 0 50 EFAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95387654 RBPWCRKAAJUJOQ-HZPDHXFCSA-N 342.468 2.583 0 50 EFAA COCCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91326871 YILOTIRHUDUPDR-LJQANCHMSA-N 336.476 2.587 0 50 EFAA O=C1C[C@H](C(=O)NCCSc2ccccn2)c2cc(F)ccc2N1 92062237 HSLUNEFARJYNIQ-ZDUSSCGKSA-N 345.399 2.555 0 50 EFAA O=C1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1 97655508 HWYJLCPVTODXBQ-UHFFFAOYSA-N 336.819 2.656 0 50 EFAA COCCN1C[C@H](c2ncnn2-c2ccc(Cl)cc2C)CCC1=O 91997964 GXPQSZNCOKSVNC-CYBMUJFWSA-N 348.834 2.582 0 50 EFAA CCN1CCc2[nH]cnc2C12CCN(c1ccc(Cl)cn1)CC2 91876980 UBANBHGXTAOVQX-UHFFFAOYSA-N 331.851 2.832 0 50 EFAA COc1ccc(CC[C@@H](C)N2CCN(c3ncccn3)CC2)cc1 23282789 BNZLMNRHOYEFEK-MRXNPFEDSA-N 326.444 2.629 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(c2nc3c(s2)c(C)nn3C)C1 95523672 BGNJJAPRLPPQPE-KRWDZBQOSA-N 328.441 2.745 0 50 EFAA O=C(NCCSCc1ccccc1)c1cnc(N2CCCC2)nc1 97436847 NHXZQJCKRJFIBZ-UHFFFAOYSA-N 342.468 2.740 0 50 EFAA CCOc1cc(S(=O)(=O)Oc2ccccn2)c(OCC)cc1C 230518401 OIMVXBRPTQBSAG-UHFFFAOYSA-N 337.397 2.955 0 50 EFAA CSc1ccc(CN(CCO)C(=O)c2cn3ccsc3n2)cc1 91595892 ULEJEWDBKRDMRH-UHFFFAOYSA-N 347.465 2.752 0 50 EFAA Cc1nc(CN(C)CCC(=O)Nc2ccsc2C(=O)O)cs1 240128327 IPWXOHGDGIJKIG-UHFFFAOYSA-N 339.442 2.672 0 50 EFAA Cc1cccnc1[C@H](NC(=O)c1cc(C(C)C)nc(N)n1)C1CC1 534644061 KYGRXCLPBIVSLW-MRXNPFEDSA-N 325.416 2.767 0 50 EFAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 269190254 MGMKHMVCVBWAKN-XHSDSOJGSA-N 330.428 2.639 0 50 EFAA O=C(CCc1nc2ccccc2s1)N[C@H]1CCc2c[nH]nc2C1 363945463 QUVMMNFXMIOQBC-LBPRGKRZSA-N 326.425 2.626 0 50 EFAA CC[C@H](NC(=O)c1cc(CC(C)C)nc(O)n1)c1ncccc1C 299755652 BIWOWLZXCGBZBG-AWEZNQCLSA-N 328.416 2.965 0 50 EFAA COc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)ccn1 824851743 BLYWOUKNYSCDRP-CQSZACIVSA-N 331.441 2.546 0 50 EFAA Cc1nc(-c2cccc(C(=O)N(C)CCC[C@@H]3CCCO3)c2)n(C)n1 584891504 BBLLZRLPUBDICB-QGZVFWFLSA-N 342.443 2.822 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCc2n[nH]c3c2CCCCC3)n1 670442941 RAAMQDLFVXEIOL-UHFFFAOYSA-N 329.448 2.589 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)[C@H]2C)o1 952852616 HTKVKWRAFMDMNP-ZFWWWQNUSA-N 345.447 2.699 0 50 EFAA C[C@@H](N)[C@@H](CCc1ccccc1)NC(=O)c1ccnn1CC1CCC1 1875287754 YGTYHNQZEDUXBR-CRAIPNDOSA-N 340.471 2.762 0 50 EFAA COc1cc(C(=O)O)nc(C(=O)N(C)[C@@H](C)Cc2ccc(F)cc2)c1 1875277388 JMOGYYPYJGZCBC-NSHDSACASA-N 346.358 2.631 0 50 EFAA C[C@H](NC(=O)[C@H]1CCC[C@@H](N=c2cncc[nH]2)C1)c1cccc(F)c1 1875274099 GWUQQMIXYSKZFL-JLJPHGGASA-N 342.418 2.886 0 50 EFAA O=C(c1cc2c(OC(F)F)cccc2[nH]1)N1Cc2cncnc2C1 1875357542 LEIFCIGXNGWCME-UHFFFAOYSA-N 330.294 2.715 0 50 EFAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCC(=O)N1CCCC1 952991391 QZALJUUUWGAGOH-QGZVFWFLSA-N 340.423 2.735 0 50 EFAA O=C(CCCn1cncn1)NCc1ccc(-c2ccc(F)cc2)o1 952980412 WQUQFGHDHSTULO-UHFFFAOYSA-N 328.347 2.774 0 50 EFAA COCCN1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 952986891 BMCBIBHIAHZLQM-HWWITLHISA-N 349.519 2.613 0 50 EFAA O=C(c1onc2c1CCCC2)N1Cc2ncccc2N2CCC[C@H]2C1 890626482 FRZSRJXQLVYKRU-ZDUSSCGKSA-N 338.411 2.573 0 50 EFAA OCc1cc(N2Cc3ccccc3OC3(CCOCC3)C2)ccn1 895570555 LMHWVIBEODFVLG-UHFFFAOYSA-N 326.396 2.522 0 50 EFAA Cc1ncc(CCNC(=O)c2nn(-c3ccccc3)c3c2CCC3)o1 1775989925 CLSVJVVFLGRGIN-UHFFFAOYSA-N 336.395 2.630 0 50 EFAA OCC1(CNCc2sc3ccccc3c2Br)COC1 1775998530 YERBIBAMYJXAJQ-UHFFFAOYSA-N 342.258 2.762 0 50 EFAA Cc1oc(CNS(=O)(=O)C2C[C@@H](C)C[C@H](C)C2)cc1C(=O)O 1776002979 OYAQMRFFRRPHBK-UWVGGRQHSA-N 329.418 2.530 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)NCc1nc2c([nH]1)CCCC2 1362967132 HOKAJGWFEWOEFJ-OAHLLOKOSA-N 331.391 2.901 0 50 EFAA O=C(NCCc1nnc2n1CCCC2)c1scnc1C1CCCC1 166333172 DAEXCIOYZABJAD-UHFFFAOYSA-N 345.472 2.701 0 50 EFAA O=C(c1ccnc2ccncc12)N1CCO[C@@H](c2cccs2)C1 185850924 BAZXGUVFSLGZTO-OAHLLOKOSA-N 325.393 2.905 0 50 EFAA Cc1cccc([C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)C2)c1 273122232 RQTVEECLYZRWRU-MRXNPFEDSA-N 348.402 2.851 0 50 EFAA Cc1cc(N2CCN(CCCc3nc4ccccc4o3)CC2)n[nH]1 187168475 ARZOZAPDTAJEMU-UHFFFAOYSA-N 325.416 2.614 0 50 EFAA COc1ccc([C@@H](C)COC(=O)c2cnc3c(c2)ncn3C)cc1 170605064 RAQZXWZKESQUOE-LBPRGKRZSA-N 325.368 2.937 0 50 EFAA O=C(CCC(F)(F)F)Nc1ccc(C(=O)OC2CCNCC2)cc1 170676790 VLZITDONYVJWEQ-UHFFFAOYSA-N 344.333 2.876 0 50 EFAA Cc1ccc(CC(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1O 279314408 NZFLOWOXOZLTCS-HNNXBMFYSA-N 344.386 2.847 0 50 EFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1 188174383 JCDCVUJEVGSDFH-FQEVSTJZSA-N 342.414 2.535 0 50 EFAA Cc1ccc2[nH]c(S[C@H]3CCN(c4cc(C)nn4C)C3=O)nc2c1 172900525 LPNYOJTZKVBNBL-AWEZNQCLSA-N 341.440 2.811 0 50 EFAA Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C(C)C)N3CCCC3=O)c2C)o1 192481970 INSDNWRQFGNUSJ-MRXNPFEDSA-N 344.415 2.872 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(c2cnc[nH]2)CC1 667641714 AVSQLBDNZPWDQY-QFBILLFUSA-N 343.475 2.973 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCCC(F)F)(c2ccccc2)CC1 1353398740 AXGAXWCGFRBYHT-UHFFFAOYSA-N 336.382 2.504 0 50 EFAA c1ccc(CN2CCC[C@]3(CCCN(CCn4cnnc4)C3)C2)cc1 1506420228 ZBDCBKMRCNPBDB-FQEVSTJZSA-N 339.487 2.656 0 50 EFAA COc1ccc(Cl)cc1C(=O)Nc1nnc(CCN(C)C)s1 1529167318 JTMHGLPDSQEGMX-UHFFFAOYSA-N 340.836 2.557 0 50 EFAA C[C@@H](c1ccccn1)N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 11822178 KVZVAWYSZJNDHP-ZDUSSCGKSA-N 339.374 2.694 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 19811607 PSCXELSJQDUZAO-LJQANCHMSA-N 326.440 2.557 0 50 EFAA Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 19837697 WPWGJBLFHKDLEF-UHFFFAOYSA-N 337.427 2.673 0 50 EFAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2ccc(F)cc2F)C1 169751677 OGJFTVTTZFCSLT-ZDUSSCGKSA-N 335.354 2.574 0 50 EFAA Cc1cc(N2C[C@@H]3CCOC[C@]3(CO)C2)nc2cc3c(cc12)CCC3 1857669615 SAZZDWDXNLFJGA-LAUBAEHRSA-N 338.451 2.867 0 50 EFAA Cc1cc(C)cc(N2CCC(N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)CC2)c1 1857719098 CWXSJZOXALDCIC-DSKINZAPSA-N 343.515 2.723 0 50 EFAA CCCCc1noc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1 420986764 YVHMQJAGTGSWBV-GOSISDBHSA-N 333.407 2.731 0 50 EFAA CO[C@H]1CCC[C@@H](CC(=O)N2CCC(N3CCCCC3=O)CC2)C1 328588295 AYYWMJARMKRWTF-WBVHZDCISA-N 336.476 2.585 0 50 EFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncc(F)cn1 328632167 RRFMSFHXRPMCJW-VIFPVBQESA-N 329.301 2.530 0 50 EFAA CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(C)(C)C)s1 331060061 SRZDBGVTPJRPNP-LLVKDONJSA-N 329.487 2.552 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(C)c1 337140261 HAEPFVIRVJQBOT-OTWHNJEPSA-N 331.456 2.543 0 50 EFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(Cc1cccc(OCCO)c1)C2 248235204 BVMRPTWHRHOEMU-UXHICEINSA-N 344.499 2.920 0 50 EFAA C[C@@H](O)CN(c1ncnc2sc(-c3ccccc3)cc12)[C@H](C)CO 252509984 YZNJSJLJGRAFTE-CHWSQXEVSA-N 343.452 2.926 0 50 EFAA Cc1cccc(C)c1CC(=O)N(C)C[C@H]1CCCN1c1cccnn1 373193172 YETMVJKFROOVBP-QGZVFWFLSA-N 338.455 2.763 0 50 EFAA CNC(=O)CCCN(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 159351424 PKKZMNMYTZTYQJ-UHFFFAOYSA-N 336.741 2.957 0 50 EFAA CN(C)Cc1nc(CNC(=O)Nc2cccc3c2ccn3C)co1 1215070086 PVEWWXQRGQLJBP-UHFFFAOYSA-N 327.388 2.550 0 50 EFAA COCCn1ncc2ccc(NC(=O)c3cccc4c3OCC4)cc21 930748624 COABTWPMBAGPKX-UHFFFAOYSA-N 337.379 2.870 0 50 EFAA C[C@@H](C[S@](C)=O)Nc1ccnc2cc(Br)cnc12 119181172 WZRSFRKKEVTMOO-DCXZOGHSSA-N 328.235 2.571 0 50 EFAA CN(C)c1cc(C(F)(F)F)nc(N2CCc3c(N)cccc3C2)n1 2325772711 TWGVSYWZDUYTMK-UHFFFAOYSA-N 337.349 2.706 0 50 EFAA Oc1cccc(OCc2cn(Cc3ncoc3C3CCC3)nn2)c1 2325777243 OEHXGVFYSJBLIH-UHFFFAOYSA-N 326.356 2.867 0 50 EFAA Cc1cnc(C)c(=NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)[nH]1 2325853796 BVNBDLNAUKCGEB-UHFFFAOYSA-N 346.239 2.931 0 50 EFAA Cc1c(Cc2ccccc2)sc(NC(=O)CCC(=O)O)c1C(N)=O 142039 KVBAEIFMOZSBBS-UHFFFAOYSA-N 346.408 2.550 0 50 EFAA CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](O)CS3 187264 CYBSYWIYKWPANZ-XIKOKIGWSA-N 328.437 2.601 0 50 EFAA O=C(OC[C@H]1[C@@H](O)CCCN1C(=O)c1ccccc1)c1ccccc1 401599 FFJXGKSTRCOJDS-ROUUACIJSA-N 339.391 2.509 0 50 EFAA COc1ccc(CCNC(=O)c2noc3c2CCCCC3)cc1OC 426553 YTTGPOCOBIBWOP-UHFFFAOYSA-N 344.411 2.933 0 50 EFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1 528902 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2.608 0 50 EFAA Cc1ccc(NC(=O)CN2C(=O)OC3(CCCCC3)[C@]2(C)O)cc1 1422282 DWHMTRCTVBQESY-KRWDZBQOSA-N 332.400 2.797 0 50 EFAA O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1cccs1 2778610 HHFARLYNLHOQCJ-UHFFFAOYSA-N 337.401 2.933 0 50 EFAA Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)ccc1C(=O)N(C)C 237071613 UWLQVMPWAJHGKW-JQFCIGGWSA-N 329.444 2.556 0 50 EFAA CC[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](CC(C)(C)C(=N)O)C1 333840347 NIIZAHITZZHIGO-MJBXVCDLSA-N 325.453 2.927 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC[C@H]1C[C@H](O)c1ccco1 240668566 HNMORUMSSXSVQG-BIVLZKPYSA-N 348.443 2.835 0 50 EFAA Cc1cccc2c1O[C@@H](C(=O)NCCn1c(C)nc3ccccc31)C2 449142918 VDXMSZQAPQVAJY-GOSISDBHSA-N 335.407 2.773 0 50 EFAA CN(C)CC[C@@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 72434447 ZWLGBUXEOOKWCQ-KRWDZBQOSA-N 325.460 2.845 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cnc3c(C)cccn23)c1 337411802 QZCXBERPIIKVSX-HKUYNNGSSA-N 337.423 2.959 0 50 EFAA CSc1nsc(NC(=O)N2CCN(C)c3ccccc3C2)n1 241121888 JEOLRADRIRMDFZ-UHFFFAOYSA-N 335.458 2.744 0 50 EFAA COC(OC)c1ccc(F)c(CNC2CCC3(CC2)OCCO3)c1 241383414 MVEATLZDURGBCN-UHFFFAOYSA-N 339.407 2.892 0 50 EFAA Cc1nn(C)cc1CNC[C@@H](CO)Cc1ccccc1C(F)(F)F 339509446 WSAWAZINOSVMFQ-ZDUSSCGKSA-N 341.377 2.688 0 50 EFAA O=C(O)CN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 71752403 JUJARXKLNXHYOB-GOSISDBHSA-N 325.408 2.994 0 50 EFAA O=C(c1ccccc1)N1CC[C@H](CN2CCc3ccc(CO)cc32)C1 368476171 BDCJJVHLUWDQDL-QGZVFWFLSA-N 336.435 2.704 0 50 EFAA O=C(c1cc2cc(F)ccc2o1)N1CCC(N2CCCNC2=O)CC1 132414458 SKXQTBXCCITKTF-UHFFFAOYSA-N 345.374 2.592 0 50 EFAA c1ccc(CO[C@@H]2COCC[C@H]2NC2CSCCSC2)cc1 219976118 JJKNCZARNYLPNC-IAGOWNOFSA-N 339.526 2.799 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 374130368 PMFRFPDOMKWRND-ZDUSSCGKSA-N 331.372 2.588 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CC1CCCCC1 72165240 BRVBVFQJJDVRIW-KRWDZBQOSA-N 347.434 2.535 0 50 EFAA OC[C@@]12CCC[C@@H]1CN(c1cc(-c3ccccc3)nc3ccnn13)C2 72435309 OIHFVBRTKYGKQI-UZLBHIALSA-N 334.423 2.995 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 72447699 XSHSYZXOUOGLQP-HXUWFJFHSA-N 330.472 2.558 0 50 EFAA CC1=C(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CCCO1 133904481 OQBFNROIEQMGCM-UHFFFAOYSA-N 341.411 2.869 0 50 EFAA COc1cccc(C)c1NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 263053567 NNZGAJPCYJHZKN-NXEZZACHSA-N 346.305 2.730 0 50 EFAA COc1ccc(CNc2nc(C(=O)N3CCSCC3)cs2)cc1 40288617 NAFOPIDVOOTWKY-UHFFFAOYSA-N 349.481 2.953 0 50 EFAA O=C(NCc1coc(-c2ccccc2)n1)c1cc2c([nH]c1=O)CCCC2 132888606 LTURTZSNVOLVDA-UHFFFAOYSA-N 349.390 2.839 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl 41097006 YTIRRCJDRYJJAV-GHMZBOCLSA-N 333.837 2.537 0 50 EFAA CC(C)c1cc(-c2nc(CC(=O)Nc3ccccc3)no2)nn1C 178210925 SEVIGJVHZZEDKV-UHFFFAOYSA-N 325.372 2.775 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(Cl)cc2Br)C1 178265463 XPCWWXWWKXDPAE-ZETCQYMHSA-N 332.581 2.649 0 50 EFAA CCOc1ncccc1NC(=O)Cn1nc(C(F)(F)F)cc1C 290933119 ZBQUYNRBPNPDHN-UHFFFAOYSA-N 328.294 2.643 0 50 EFAA Cn1c(C(=O)N[C@]2(C)CCOC2=O)cc2cc(C(F)(F)F)ccc21 291476009 QZHLCPAHVBRCSB-OAHLLOKOSA-N 340.301 2.633 0 50 EFAA CSc1nnc(CC2CCN(C(=O)C3CCCCC3)CC2)n1C 82100253 KTXNNROKCJEBBS-UHFFFAOYSA-N 336.505 2.898 0 50 EFAA Cc1cc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)ccc1F 82136867 HWBQHUQAIBCCCX-HXUWFJFHSA-N 348.462 2.721 0 50 EFAA O=C(NCc1ncc[nH]1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 426513757 UBDNCPOSHRIAMQ-IOMDMTNGSA-N 340.427 2.814 0 50 EFAA O=C(O)c1ccccc1C(=O)CN1C2=NCCCN2c2ccccc21 334163547 WOXJFVLYTHQBGE-UHFFFAOYSA-N 335.363 2.654 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2cn[nH]c2)C1 91656837 PPJCDZWDGACKEE-IBGZPJMESA-N 341.411 2.552 0 50 EFAA Cc1ccc(CN2CCN([C@@H]3CCNC3)CC2)c(Cl)c1Cl 97797562 JRIDJUUFYWTFBG-CQSZACIVSA-N 328.287 2.781 0 50 EFAA COCC1(NC(=O)c2ccc(-c3c[nH]ccc3=N)cc2)CCCC1 426396707 ZVMAIOSNSHQGIX-UHFFFAOYSA-N 325.412 2.850 0 50 EFAA CCOCc1cc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)ccc1OC 91695552 JHQFKONMHIPCDE-DLBZAZTESA-N 333.428 2.774 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)NC[C@@H]1OCCc2ccccc21 91847686 RQZLZUKBGPEEGU-IBGZPJMESA-N 347.418 2.980 0 50 EFAA COCCc1noc([C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 91818479 FETOBPBTWVYMDJ-CYBMUJFWSA-N 349.818 2.818 0 50 EFAA CSCCc1nc(CN2CCCC2=O)n(-c2ccc(C)cc2C)n1 96137214 ICMUPVHWSXUWJU-UHFFFAOYSA-N 344.484 2.912 0 50 EFAA O=C(O)[C@H]1CCCN(C2CCN(Cc3ccc(Cl)o3)CC2)C1 97815440 CWUQSPASPLLJQX-LBPRGKRZSA-N 326.824 2.694 0 50 EFAA Cc1cc2[nH]c(CN3CCCC[C@H]3c3nccs3)cc(=O)n2n1 334159696 OOYKQYCQTYPRJP-ZDUSSCGKSA-N 329.429 2.515 0 50 EFAA O=C1NCCC[C@@]12CCN(Cc1cccc(OC(F)(F)F)c1)C2 91425851 UTKMDKSKSLDBSG-HNNXBMFYSA-N 328.334 2.687 0 50 EFAA CCNC(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1 96148024 MQGKCEODXCIQHQ-UHFFFAOYSA-N 330.453 2.997 0 50 EFAA O=C(NCc1cc(-c2ccco2)on1)c1ccccc1-c1nc[nH]n1 97785268 FLYBCBMQHBDCHU-UHFFFAOYSA-N 335.323 2.650 0 50 EFAA CCOc1ncccc1CN[C@H]1CCN(Cc2ccccn2)C[C@H]1C 246847665 CLFIDMRHBRIWGB-APWZRJJASA-N 340.471 2.876 0 50 EFAA O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 182551412 LMPJVHCIBACLOV-HNNXBMFYSA-N 331.393 2.771 0 50 EFAA Cc1cc(C)cc(CN2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 247883212 CPBFJNNGQDMOAF-YSIASYRMSA-N 344.499 2.793 0 50 EFAA Cc1nc(O)cc(CNC(=O)C2c3ccccc3-c3ccccc32)n1 244816835 SPILJYZQHBDQFC-UHFFFAOYSA-N 331.375 2.919 0 50 EFAA Brc1cccnc1NCc1ccnc(N2CCOCC2)c1 299694686 VRUIAXAEYGSPFK-UHFFFAOYSA-N 349.232 2.688 0 50 EFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc2c(nc1O)CCC2 253623227 BSMPQKCOGMHPNF-OZVIIMIRSA-N 344.436 2.579 0 50 EFAA Cc1ccc(-c2noc(CNC(=O)CCN3C[C@@H]4CC[C@H]3C4)n2)cc1 252482864 DPIYMUMSGZJXGK-ZBFHGGJFSA-N 340.427 2.536 0 50 EFAA CN(C)c1ccc(CCC(=O)NCCCn2cc(Cl)cn2)cc1 299792136 DWUVBHAQHPTSBG-UHFFFAOYSA-N 334.851 2.742 0 50 EFAA c1cncc(OC2CCN(Cc3ccc4c(c3)CNCCO4)CC2)c1 299803158 YNKAKEHMVXBXBF-UHFFFAOYSA-N 339.439 2.607 0 50 EFAA COc1ccccc1Cc1nc([C@@H](C)N2C[C@H](C)O[C@H](C)C2)n[nH]1 824821913 XQJSTQJQFQOAOR-HZSPNIEDSA-N 330.432 2.574 0 50 EFAA Fc1ccc(N2CCC(N[C@@H]3CCc4c[nH]nc4C3)CC2)cc1F 670442211 PYSMCYFIDBMVHR-CQSZACIVSA-N 332.398 2.804 0 50 EFAA Cc1cc(C)n(CCc2nc(-c3ccc(C)o3)nn2CC(C)(C)O)n1 670455817 GWYYMWOCOFOQEG-UHFFFAOYSA-N 343.431 2.673 0 50 EFAA COCC1(CNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CCC1 670448698 UQFBYUYPMMRNBC-CYBMUJFWSA-N 331.334 2.672 0 50 EFAA COC(=O)c1cc(NC(=O)c2cnn(C3CC3)c2)c(Cl)c(OC)c1 1875273680 AJNHXLVZDOJKIS-UHFFFAOYSA-N 349.774 2.919 0 50 EFAA O=C(O)[C@H](CNCc1ccc2nc(O)[nH]c2c1)c1cc(F)ccc1F 1875355090 ZUGGJDYUCJATBC-GFCCVEGCSA-N 347.321 2.505 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(Oc3ccccn3)c2)cn1 1875381205 NLQBWENQAQJVSF-MWTRTKDXSA-N 336.395 2.871 0 50 EFAA O=C(N1CCC=C(c2cccc(O)c2)C1)[C@@]1([C@@H]2CCCO2)CCCO1 1875313353 PMBHDZKYQNBLKE-ICSRJNTNSA-N 343.423 2.736 0 50 EFAA CN1CCN(c2cc(OC[C@@H]3C[C@]34CCOC4)ccc2Cl)CC1 1875392111 PKTUDFXYFYRGQV-KSSFIOAISA-N 336.863 2.897 0 50 EFAA COC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(O)c3ccccc23)CC1 952963825 KKELREADQLURHF-JOCQHMNTSA-N 342.395 2.650 0 50 EFAA CCNC(=O)c1cc(NC(=O)c2cc(CC)nn2C)ccc1Cl 952990591 WHSWQJUSCIOZHU-UHFFFAOYSA-N 334.807 2.638 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)cn1 884998339 LIBRZIDMTRQJCW-UHFFFAOYSA-N 346.349 2.646 0 50 EFAA CC(C)c1nsc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)n1 886041128 ZLMVOUFKSMEQQH-HNNXBMFYSA-N 347.488 2.776 0 50 EFAA CC[C@@H]1c2ccccc2CN1C(=O)NCc1ccnc(-n2cncn2)c1 896101736 XHIBHVRYCRXWHY-QGZVFWFLSA-N 348.410 2.839 0 50 EFAA O=C(c1cc2ccccn2c1)N1CCC(c2nnc3n2CCCC3)CC1 274764183 PPROAACSTVBNKC-UHFFFAOYSA-N 349.438 2.887 0 50 EFAA Cc1nc(CC(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cs1 186589822 KOXDCLJDVZPCJQ-KRWDZBQOSA-N 344.484 2.560 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccc(Cl)s2)CCO1 276296967 NSTCFZMFVYVMRL-MWLCHTKSSA-N 325.821 2.785 0 50 EFAA CCOC(=O)C1=C(C)Nc2nc(C(C)C)nn2[C@H]1c1cccc(O)c1 170625803 GNMYGTRJUPMDHZ-HNNXBMFYSA-N 342.399 2.959 0 50 EFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 225741947 RGZAGULTKCBAEZ-LSDHHAIUSA-N 332.444 2.575 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c(C)c1 225852561 XPXDGCCIOISYME-CYBMUJFWSA-N 341.415 2.787 0 50 EFAA COCCn1cc(CNc2nc(-c3cccnc3)nc(C)c2C)cn1 281964733 RBJQAIXNICCNLB-UHFFFAOYSA-N 338.415 2.610 0 50 EFAA O=C(NCCCCN1CCC[C@@H]1CO)C1CC(c2ccc(F)cc2)C1 645833459 BRLGMDJTYPRLSO-FAFZWHIHSA-N 348.462 2.672 0 50 EFAA C[C@@H]1CCN(C(=O)Nc2ccccc2CS(C)(=O)=O)CCS1 192244117 IFRJQWWHMMWPBI-GFCCVEGCSA-N 342.486 2.591 0 50 EFAA Cc1ccc(CC(=O)N2CC3(CCOCC3)C2)cc1Br 647615472 KJENNLZBMSPLJY-UHFFFAOYSA-N 338.245 2.939 0 50 EFAA COCCn1cc(NC(=O)Nc2cnn(C3CCCC3)c2C)cn1 194773044 BFQRJGBGBSSEFW-UHFFFAOYSA-N 332.408 2.794 0 50 EFAA COc1ccc([C@H](NC(=O)c2c(C)oc(C)c2C)C(=O)O)c(OC)c1 653666625 PYTNCBCEBLUCFL-INIZCTEOSA-N 347.367 2.778 0 50 EFAA Cc1cc(OC[C@@H](O)CNC2CSCCSC2)ccc1Cl 1506424831 CPGKUGHUJMAQFY-ZDUSSCGKSA-N 347.933 2.826 0 50 EFAA CCCOc1ccccc1C(=O)N(CCN(C)C)Cc1[nH]cnc1C 1704324645 CHGFBTIDIMBJIM-UHFFFAOYSA-N 344.459 2.711 0 50 EFAA Cc1ccc2c(c1)cc(CN1C[C@H](Cc3ccccn3)[C@@H](O)C1)n2C 1616075894 VXUNMBSCJAAGLX-UWJYYQICSA-N 335.451 2.917 0 50 EFAA Cn1cnnc1SCc1cc2c(cc1Br)OCO2 5216552 NOHQFZZKLGNGBO-UHFFFAOYSA-N 328.191 2.599 0 50 EFAA CN(CCc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 11843739 UPQVCFKBCDGWOL-SFHVURJKSA-N 343.496 2.851 0 50 EFAA Cc1cnc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 12200980 LILDCHXUNWDYNL-MRXNPFEDSA-N 342.418 2.661 0 50 EFAA Cn1c(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)cc2ccccc21 12304784 LVKPNAUJRWAMKG-SFHVURJKSA-N 348.450 2.968 0 50 EFAA O=C(CCc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1 12307537 XBFWRTNPEDWDPU-HXUWFJFHSA-N 337.467 2.838 0 50 EFAA CCNC(=O)N(C)C[C@H]1CCCN(CCc2ccc(OC)cc2)C1 12387029 ICFUQGWFYIKFOG-QGZVFWFLSA-N 333.476 2.611 0 50 EFAA CCN(CC)C[C@@H](O)COc1ccc(CNC(C)(C)C)cc1OC 12574538 GBGCARXXPAKKAA-MRXNPFEDSA-N 338.492 2.665 0 50 EFAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCCC1)C2 14540678 PRMQFDUUNKPKDC-MRXNPFEDSA-N 344.503 2.872 0 50 EFAA Cc1oc(-c2ccco2)nc1CN1CCN(Cc2cccnc2)CC1 19790834 KTGNKHHPFOIFMB-UHFFFAOYSA-N 338.411 2.956 0 50 EFAA COc1ccc(-c2nccn2C2CCOCC2)c(C(=O)O)c1OC 1857736742 TZIRFKJQGJPEBF-UHFFFAOYSA-N 332.356 2.617 0 50 EFAA Cc1nc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)n(C)c1C 1857739514 MMSRIDJYHJNJGY-OAHLLOKOSA-N 330.432 2.801 0 50 EFAA O=C(Nc1ncc2c(n1)CCCC2)c1cnn(Cc2ccccc2)c1 1875247903 UAYDOHSLDJMSDO-UHFFFAOYSA-N 333.395 2.853 0 50 EFAA COc1c(C(=O)O)cc(-c2ccc(C(C)=O)cn2)c(OC)c1OC 1875250456 AGHMRXPSVTWPMB-UHFFFAOYSA-N 331.324 2.675 0 50 EFAA CS(=O)(=O)c1ccc2ncnc(Nc3ccc4c(c3)COC4)c2c1 241657625 PXVVQUAXXKQLAT-UHFFFAOYSA-N 341.392 2.807 0 50 EFAA N[C@@H]1CCCCCC[C@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 152163222 JCUFYJDRJPPACG-QZTJIDSGSA-N 349.519 2.535 0 50 EFAA O=C(c1cccc(CO)c1)N1CCN[C@H](c2ccccc2Cl)C1 368141228 NKKLHBJGWFZTLD-KRWDZBQOSA-N 330.815 2.619 0 50 EFAA CCc1ccc2occ(C(=O)N3CCOC[C@H]3c3noc(C)n3)c2c1 376102281 KHWWHNZJUCCRGK-HNNXBMFYSA-N 341.367 2.900 0 50 EFAA CS(=O)(=O)c1ccc(N2CCC(CN)(c3ccccc3)CC2)cc1 900410976 NLZXXVFMTHYMES-UHFFFAOYSA-N 344.480 2.587 0 50 EFAA Cn1nc(C2CC2)cc1CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 901625046 SWLTXHNFMGSGGN-GOSISDBHSA-N 342.418 2.546 0 50 EFAA CCCOc1ccc(N2C(=O)C[C@H](NCc3cccs3)C2=O)cc1 18137915 YQBAKFDSZZSHKP-INIZCTEOSA-N 344.436 2.959 0 50 EFAA Cc1nc(-c2ccc(NC(=O)c3cccc4c3OCCNC4)cc2)n[nH]1 2325856424 PGYVRUYWAVFORX-UHFFFAOYSA-N 349.394 2.514 0 50 EFAA CC(=O)N(C)[C@H]1CCC[C@H](NC(=O)Cc2cccc3cccnc23)C1 2325871767 YGICZNPWBAMHJJ-ROUUACIJSA-N 339.439 2.683 0 50 EFAA COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 119623 OKRBKXNZWAWLKO-GFCCVEGCSA-N 329.352 2.872 0 50 EFAA COc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 163007 VXEHMNJCALKUJI-UHFFFAOYSA-N 331.368 2.651 0 50 EFAA biogenic Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)no1 184785 YSECERWVWHNPMU-UHFFFAOYSA-N 327.340 2.630 0 50 EFAA COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1O 187068 FJJFUMBHEOHXLC-YOEHRIQHSA-N 338.363 2.570 0 50 EFAA biogenic CCC[C@@]1(C(=O)O)CN(Cc2ccc(OC)c(Cl)c2)CC[C@@H]1O 2356137453 YVMNMMYPYNLCOT-DOTOQJQBSA-N 341.835 2.786 0 50 EFAA CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl 4413338 ALOAEKOCVFJWBG-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2)c2ccc(C)cc21 4993208 WZGFQBOVUULRDY-LJQANCHMSA-N 338.407 2.988 0 50 EFAA Cc1cccn2c(=O)c3cc(C(=O)N(C)c4ccccc4)n(C)c3nc12 6586669 FPPXVWBGSADRCJ-UHFFFAOYSA-N 346.390 2.771 0 50 EFAA CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 8714720 QDXWKJWPGMWDNT-UHFFFAOYSA-N 333.837 2.540 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 412929991 ATSYFMWXQQDLIG-HNNXBMFYSA-N 331.391 2.758 0 50 EFAA CCn1ccc(CNC(=O)N(CCc2ccc(F)cc2)C2CC2)n1 413631905 PYTPRLAVMVZROC-UHFFFAOYSA-N 330.407 2.959 0 50 EFAA Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)s1 225477326 JRKULFJDGQVYAU-LLVKDONJSA-N 339.424 2.980 0 50 EFAA Cn1c(=O)[nH]c(=O)c2c(-c3ccc(-c4ccccc4)cc3)ccnc21 10338981 SZFRFNWTTGPKTN-UHFFFAOYSA-N 329.359 2.956 0 50 EFAA CC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 22064222 DRCWWQMGQJQTJY-UHFFFAOYSA-N 338.407 2.974 0 50 EFAA O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2)N1CC=CCC1 65495068 CXEUGSRTHSJPFC-UHFFFAOYSA-N 336.439 2.691 0 50 EFAA CC(C)N1CCn2nc(C(=O)NCCc3ccc(Cl)cc3)cc2C1 65410181 VQNQXWMHASPDGN-UHFFFAOYSA-N 346.862 2.733 0 50 EFAA CCc1ncc2c(n1)CN(CC(=O)N1CCC[C@H]3CCCC[C@H]31)CC2 247806210 SSAAOSCOQINEPR-CRAIPNDOSA-N 342.487 2.578 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ccco2)C1)c1ccc(O)c(Cl)c1 67955086 FPMPWHOFOZXVSS-GFCCVEGCSA-N 334.803 2.891 0 50 EFAA C[C@H](Oc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1 20168504 JJDLSYYBJDLHIF-INIZCTEOSA-N 342.414 2.937 0 50 EFAA Cc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 67620840 NEHRFACBDVXJLE-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCN(CC)Cc1nnc2sc(COc3ccccc3C)nn12 67239786 ITBBYCKFJIQNAF-UHFFFAOYSA-N 331.445 2.915 0 50 EFAA CCc1noc(CN(CC)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 65409075 MSFREAFTISYHJA-UHFFFAOYSA-N 339.399 2.854 0 50 EFAA CNc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1 170616575 AFVNFPMVMFVLNW-UHFFFAOYSA-N 341.411 2.717 0 50 EFAA Clc1cnc(N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 252478711 ASVXIRDSCPHQMO-LBPRGKRZSA-N 330.259 2.937 0 50 EFAA CO[C@H]1CCC[C@@H](OC(=O)CN(C)C(=O)OCc2ccccc2)C1 252511123 ZUPYFUXMODQWPR-JKSUJKDBSA-N 335.400 2.756 0 50 EFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C2CC2)cc1 252507896 WWGAOUMSNYSOKI-KRWDZBQOSA-N 329.444 2.763 0 50 EFAA CN(C)c1cccc(CCC(=O)N[C@H]2CCCc3c2cnn3C)c1 170617904 PSIHELNHHFMMKK-KRWDZBQOSA-N 326.444 2.613 0 50 EFAA CC(C)Cn1cc(CN(CCN2CCOCC2)c2ccccc2)cn1 170607004 VSQKPAFQJMSLRF-UHFFFAOYSA-N 342.487 2.878 0 50 EFAA c1cc(CN2CCN(C3CCSCC3)CC2)cc(-n2cccn2)c1 215708754 AEOZHXQEKKNLPF-UHFFFAOYSA-N 342.512 2.886 0 50 EFAA CCCNc1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cccnc2)cn1 216274577 RMAGLDYNEHTDBY-SFHVURJKSA-N 349.442 2.564 0 50 EFAA Oc1nc2cccc(-c3nc(Cn4cnc5ccccc54)no3)c2o1 357476322 BMSLIBBPBKAQNL-UHFFFAOYSA-N 333.307 2.981 0 50 EFAA CN1CCCC[C@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 216510653 LSHIYKAOYGTLHI-SFHVURJKSA-N 349.906 2.859 0 50 EFAA CCS(=O)(=O)CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC 253417426 KCPOPRIAZRSKDK-GDBMZVCRSA-N 325.474 2.903 0 50 EFAA CCOCC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 253432834 OPNSHXAXWASUSZ-KRWDZBQOSA-N 342.443 2.614 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 253425576 DFKHSHOTUHOYHX-RRFJBIMHSA-N 345.834 2.871 0 50 EFAA CCCc1[nH]ncc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 121264958 FCGLYSUHJDSLJD-CQSZACIVSA-N 340.427 2.853 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COC1CCCCC1 328631018 QLTOBOBDLPZFDK-PXNSSMCTSA-N 345.487 2.882 0 50 EFAA Cc1nc2ccccn2c1CC(=O)NCc1ccccc1-n1ccnc1 71748285 JVQLKKIJHJTLOZ-UHFFFAOYSA-N 345.406 2.687 0 50 EFAA Cc1ccc([C@H](NS(=O)(=O)c2ccccn2)c2ccccn2)cc1 359938994 AYSZFZMVYNQUQW-SFHVURJKSA-N 339.420 2.853 0 50 EFAA Cc1nc2c(C)cccc2cc1C(=O)NC(C)(C)c1nnc(N)s1 216504712 SXDDEHAIBJJXAB-UHFFFAOYSA-N 341.440 2.950 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)Cc2cccc(C(=O)O)c2)CCO1 361764590 VVEWILIEGDEEGR-GOSISDBHSA-N 339.391 2.836 0 50 EFAA CCN(C(=O)CCN1CCO[C@H](C(F)(F)F)C1)c1ccccc1 71749249 DCBOTJPKOHSGSP-AWEZNQCLSA-N 330.350 2.693 0 50 EFAA COCCc1ccc(Oc2ccc(NC(=O)[C@H](N)COC)cc2)cc1 262344532 TUTGOPFFMHQVAX-GOSISDBHSA-N 344.411 2.580 0 50 EFAA CC(C)NC(=O)c1cc(N(C)Cc2ccc3nsnc3c2)ccn1 72153028 SMOXUCRHXUHZGO-UHFFFAOYSA-N 341.440 2.861 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n[nH]1 124919102 NITPBQWZUMDWOE-ZDUSSCGKSA-N 346.818 2.722 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cccn3C)C2)cc1 77455869 GCNIZDSZECHPSH-HNNXBMFYSA-N 328.412 2.965 0 50 EFAA CCCCCc1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 77459339 AKHZKBNSJFGBOB-FUHWJXTLSA-N 336.501 2.744 0 50 EFAA NC[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCOCC1 237984831 HLCWRYANRWRHST-BBRMVZONSA-N 336.863 2.632 0 50 EFAA O=C(c1cnns1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 156701275 XNAWSTBHUATPOL-CVEARBPZSA-N 342.468 2.665 0 50 EFAA COC(=O)[C@H](C)CN(C)C(=O)c1csc(Cc2ccccc2)n1 125711151 HDKUUYHUOWSMHN-GFCCVEGCSA-N 332.425 2.615 0 50 EFAA CCOc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1 71576200 SAVBUHZHLPMZKD-HNNXBMFYSA-N 333.359 2.901 0 50 EFAA NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc2ccccc2nc1O 371632733 KLJJMTHKFLXXEI-SFHVURJKSA-N 333.391 2.525 0 50 EFAA COc1ccc([C@@H]2CCN(C(=O)Cc3cccc(C(=O)O)c3)C2)cc1 262242909 UOOGTYIKXHDHEX-QGZVFWFLSA-N 339.391 2.952 0 50 EFAA Cc1cc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c2ccccc2n1 373248137 WLGAKDQLIYSSLU-UHFFFAOYSA-N 349.438 3.259 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 376695278 QUZQHQSUHUYMCQ-INIZCTEOSA-N 345.326 2.540 0 50 EFAA Cc1ccc([C@H]2CN(C(=O)Cc3sc(S)nc3C)CCO2)o1 127221062 WMOKIZLYGZWTBV-GFCCVEGCSA-N 338.454 2.784 0 50 EFAA c1cc(-c2cnc[nH]2)cc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 72412170 UIKCLKWPGIEDIM-UHFFFAOYSA-N 345.410 2.619 0 50 EFAA Cc1nnc(CCNC(=O)COc2ccc(Cl)cc2C)s1 215779394 JSQWIPGLIKJILA-UHFFFAOYSA-N 325.821 2.546 0 50 EFAA COC(=O)c1nc([C@@H]2CCCN2Cc2cccc(OC)n2)sc1C 280430624 MKMHYIZPYFOLIA-ZDUSSCGKSA-N 347.440 2.979 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)N3CCC(C(=O)O)CC3)co2)cc1 263149570 AYUWZFUYQBCJHG-UHFFFAOYSA-N 343.383 2.656 0 50 EFAA Cc1nc(CCN[C@@H]2CCOC3(CCOCC3)C2)sc1Cl 82097436 ASLTYADDRSHHKW-GFCCVEGCSA-N 330.881 2.965 0 50 EFAA CN(CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[C@H]1O 286661936 UPVJKGSUAABORY-CHWSQXEVSA-N 330.400 2.785 0 50 EFAA Cc1noc([C@H]2CCCN(CCc3nc(-c4ccccc4)no3)C2)n1 172075114 HVRUVETZVLIHMD-HNNXBMFYSA-N 339.399 2.850 0 50 EFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)[C@]2(C)CC2(F)F)c1 263275827 WQGWZXXHKUCVSN-HNNXBMFYSA-N 335.310 2.863 0 50 EFAA CC(C)(C)SCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 241515495 OFUPVOVJQSCYEM-JTQLQIEISA-N 327.475 2.604 0 50 EFAA O=C(CC1CCCC1)N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 241869038 STXFDJONWKGXRV-UHFFFAOYSA-N 345.443 2.807 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)n1 82160650 DNAKJJMQWDHCPD-AWEZNQCLSA-N 339.399 2.879 0 50 EFAA CC(=O)c1ccccc1C(=O)N1CCCN(c2ccncc2C)CC1 82106469 BOYHTFMGMNWHSW-UHFFFAOYSA-N 337.423 2.945 0 50 EFAA CCCCC[C@@H](O)/C=C/[C@H]1C[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O 43772592 URVGHNOQCRQJTD-XNMOWCBQSA-N 342.476 2.877 0 50 EFAA in-vitro CN(C)[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 82139211 SGVZCBGJKWRRLG-QGZVFWFLSA-N 334.423 2.777 0 50 EFAA CSCCC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91872683 QMKHXTAIOFJFMM-GOSISDBHSA-N 338.517 2.913 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 97578608 JJWOHQADBVEYSE-INIZCTEOSA-N 340.383 2.833 0 50 EFAA O=C(c1ccc[nH]1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91663451 LSRKTBPETHYERH-IBGZPJMESA-N 329.444 2.802 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1csc(C(C)=O)c1)C2 95502369 DCGHUIYAXCBJLN-GFCCVEGCSA-N 345.420 2.940 0 50 EFAA CCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 91848827 VFBKEVPTGSGRMG-INIZCTEOSA-N 347.846 2.996 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(c3nccnc3N(C)C)C2)c1 96141960 HALCNQPACGJWCL-CYBMUJFWSA-N 328.416 2.554 0 50 EFAA COC(=O)c1ccc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nn1 265539207 DDNHRPYQCSEICX-ZDUSSCGKSA-N 343.358 2.502 0 50 EFAA OC1(Cn2ccnc2)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 97819465 NLMKIECXZQVLRI-KRWDZBQOSA-N 345.443 2.745 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCCCOC1CCCCC1 97815127 WMVKWAOGMUVQBX-KRWDZBQOSA-N 330.428 2.717 0 50 EFAA Cc1nonc1CN1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91350939 OLRMYHRKHZXXRB-SFHVURJKSA-N 332.448 2.525 0 50 EFAA CC(=O)c1cc(CN2C[C@@H](C(=O)O)[C@H](c3cccnc3)C2)cs1 92002287 LXTWTIBYBRFPDB-LSDHHAIUSA-N 330.409 2.646 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(S(C)(=O)=O)cc1)C2 91860550 JVBCZGLCOUFNNQ-AWEZNQCLSA-N 332.421 2.893 0 50 EFAA N[C@H]1C[C@@H](c2cc(N[C@H]3CCCN(Cc4ccccc4)C3)ncn2)C1 244595047 DNRNWXYIUZXVBK-KSZLIROESA-N 337.471 2.758 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)N1CCC(n2ccnc2)CC1 179222348 ZTTLHHJMQZVHIG-UHFFFAOYSA-N 346.362 2.678 0 50 EFAA Cc1ccnc2c(NCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc12 244900253 ZYRMKHIZHFILFG-WRFANHODSA-N 333.391 2.720 0 50 EFAA Cc1cnn(C[C@@H]2CN(Cc3ccc(C(C)C)nc3C)CCO2)c1 293183772 SSEJOIMPFARKOF-SFHVURJKSA-N 328.460 2.919 0 50 EFAA Cc1nsc(C)c1COC(=O)Cn1cc(-c2ccccc2)nn1 293878407 ARQUWMUOQZSFTB-UHFFFAOYSA-N 328.397 2.762 0 50 EFAA Oc1nc(CN2CCC(CCn3cccn3)CC2)nc2ccsc12 253536709 LPSDKRNJRDIYHM-UHFFFAOYSA-N 343.456 2.896 0 50 EFAA Cn1c(CS(=O)(=O)Cc2ccc(Cl)cc2)nnc1C1CCC1 180994461 BTUSPOKBNIIYKP-UHFFFAOYSA-N 339.848 2.851 0 50 EFAA C[C@@H](C(=O)NCCn1ccnc1)c1ccc(C[C@@H]2CCCC2=O)cc1 253415161 ZVRLEJKOOCRPRY-QAPCUYQASA-N 339.439 2.715 0 50 EFAA C[C@H](NC(=O)N1CCC2(CC1)CN(C)CCCN2C)c1ccccc1 534585002 OGTHDYIFFZKSSX-KRWDZBQOSA-N 344.503 2.559 0 50 EFAA Cc1nc2c(n1[C@H]1CCN(Cc3nnc(C4CC4)o3)C1)CCCC2 299746986 BSVGSDYBIONFEC-AWEZNQCLSA-N 327.432 2.778 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(C)nc1O)CC(C)(C)O2 534588942 MSKZJFFHDUUXRP-AWEZNQCLSA-N 327.384 2.831 0 50 EFAA CN1CCc2ccc(C(=O)N3CCCC[C@@H]3c3nccs3)nc21 1940195509 UQRBFEKTEHCTIL-CQSZACIVSA-N 328.441 2.898 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc(-c2ccccc2)on1 1940198032 IPRMCYUAQQUPBZ-AEFFLSMTSA-N 349.390 2.724 0 50 EFAA CCOC(=O)c1c(O)nc2ccccc2c1I 299738198 IULXXCFQGHVEGF-UHFFFAOYSA-N 343.120 2.722 0 50 EFAA Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)o1 299787392 WIJPYSCACRSMSX-ZDUSSCGKSA-N 343.412 2.710 0 50 EFAA CCc1nn(C)c(NC(=O)N2CC[C@@H](n3nc(C)cc3C)C2)c1CC 299795659 NHOIXGIZUMWMGE-CQSZACIVSA-N 344.463 2.837 0 50 EFAA CC[C@H]1CCCCN1CC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 952983007 QVVHYYZMXKWNLB-HNNXBMFYSA-N 347.459 2.600 0 50 EFAA Cn1c(Cl)cnc1CN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 268891331 KEENOEFTYZICHD-MRXNPFEDSA-N 342.871 2.857 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@@H](C)S1=O 408341355 GXDJBQPYRLAZBO-GHMZBOCLSA-N 336.844 2.870 0 50 EFAA CCOc1ccc2cc(C(=O)NCc3nnc(C4CC4)o3)[nH]c2c1 186917738 OZIGRAIYOACUFG-UHFFFAOYSA-N 326.356 2.757 0 50 EFAA O[C@H](COc1ccc(Cl)cc1)CN1CCC[C@@H]1c1ncccn1 639839052 HETOYSXYVHDAOF-GOEBONIOSA-N 333.819 2.707 0 50 EFAA Cc1cc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1 670413519 WEJCCLADQJLWCS-UHFFFAOYSA-N 343.408 2.872 0 50 EFAA CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCN(c2ccncc2)CC1 1421609842 AYZHSPGWQYZKBK-LJQANCHMSA-N 338.455 2.929 0 50 EFAA CCCC[C@H]1CN(c2cccc(C(=O)N(C)C)n2)C[C@@H](C2CC2)O1 1615738579 ROHMUKYIFHIGHI-RDJZCZTQSA-N 331.460 2.957 0 50 EFAA CC[C@H](CNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1 1506418735 SFMTYTFQMPLXCF-HNNXBMFYSA-N 335.407 2.693 0 50 EFAA COCc1cc(CNC2CCN(c3ccc(F)c(F)c3)CC2)[nH]n1 1506409939 AXJPZVSLWQCBFJ-UHFFFAOYSA-N 336.386 2.593 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(c3ccc(Cn4ccnc4)cn3)C[C@@H]21 1704337322 ZPIJWZUYVCXJHU-ZIFCJYIRSA-N 326.444 2.704 0 50 EFAA O=C(O)c1c(N2CCC[C@H](CO)C2)noc1-c1ccc(Cl)cc1 1704312486 DHWXCAYYPVVKIY-JTQLQIEISA-N 336.775 2.902 0 50 EFAA O[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1Cc1cnccn1 1704325706 PVOBDOLRZVDVIN-CZUORRHYSA-N 337.345 2.531 0 50 EFAA CN(C)[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 1704332051 OLUFBLPEVLLGEM-AWEZNQCLSA-N 329.400 2.960 0 50 EFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NC1CCCC1)C2 14743419 XBLVUGQXDIFQQF-MRXNPFEDSA-N 344.503 2.919 0 50 EFAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C)CC1 16603638 ZHZHUQKZZWVNTQ-UHFFFAOYSA-N 337.782 2.830 0 50 EFAA O=C(c1nccc2ccccc12)N1CCN(Cc2ccccn2)CC1 19636597 NHFUWAAOQCFILP-UHFFFAOYSA-N 332.407 2.588 0 50 EFAA Cc1cccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c1 19878600 VFJVNWXOXRXWIO-CYBMUJFWSA-N 342.376 2.512 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 320905 IWJVOQVXEOHSJJ-BJMVGYQFSA-N 336.800 2.639 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cnn2cc(C)ccc12 1857679897 ZUQIPVXIGDIMNL-WBHUJUFNSA-N 327.384 2.501 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)[C@H]1CCOC2(CCNCC2)C1 1857682360 OEVMCEPQCAOBTQ-AWEZNQCLSA-N 335.517 2.755 0 50 EFAA O[C@@H]1CN(Cc2ccc(-c3ccccn3)cc2)C[C@H]1Cc1cnccn1 1857719878 XQHIUPDQOZZBHZ-WIYYLYMNSA-N 346.434 2.574 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 339061436 KISVFZJVPKXMPK-RYUDHWBXSA-N 337.725 2.581 0 50 EFAA CSc1nccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)n1 248241394 FDXZTGSFSOUPTQ-KGLIPLIRSA-N 332.473 2.592 0 50 EFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[C@@H](N)C1 158061454 FYMYKYXXLNYKKY-TZMCWYRMSA-N 339.277 2.968 0 50 EFAA CC(C)(CNC(=O)N1CCOc2cc(O)ccc2C1)c1ccncc1 376890274 XMKXUKBKMKPQRL-UHFFFAOYSA-N 341.411 2.669 0 50 EFAA CC(C)c1ccc(N(C)S(=O)(=O)c2cnc3[nH]cncc2-3)cc1 1210748642 XCROVZHUYDHFOK-UHFFFAOYSA-N 330.413 2.858 0 50 EFAA CCn1cc(CC(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)nn1 823137800 ILXHWKDTOXJIRE-HNNXBMFYSA-N 342.443 2.711 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C)N(c2cc(Oc3ccccc3C)ncn2)C1 864697593 KGVZJRLUNTVHOY-HOTGVXAUSA-N 342.443 2.733 0 50 EFAA C[C@H](C(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C1CCC1 952994884 VWKCRTFQJUCWID-JQWIXIFHSA-N 344.381 2.797 0 50 EFAA Cn1c(CCNC(=O)[C@@]2(c3ccccc3)CCCN2)nc2ccccc21 1875287363 HCMZSSHFUBMPQZ-NRFANRHFSA-N 348.450 2.511 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Oc3cccnc3)cc2)cn1 1875385484 ULAASZSWGIKRLW-QMHKHESXSA-N 336.395 2.871 0 50 EFAA O=C1COc2cccc(C(=O)N3CC[C@@H]4CC[C@@]43c3cccnc3)c2N1 888831966 XDAIVMMCLVYPAN-RBZFPXEDSA-N 349.390 2.564 0 50 EFAA CNC(=O)c1ccc(CNC[C@H]2CC(c3ccc(C)cc3)=NO2)cc1 895495561 SQCXSBCPPVAARS-GOSISDBHSA-N 337.423 2.637 0 50 EFAA Fc1ccccc1OCc1nnc([C@H]2OCC[C@H]2Cn2ccnc2)o1 1775959478 AUYFZCGHOWVZCJ-LRDDRELGSA-N 344.346 2.762 0 50 EFAA CCOc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 98458 CTCKCNQCWFMUAO-UHFFFAOYSA-N 329.308 2.734 0 50 EFAA CC1(C)C[C@@H](Nc2cncc(-n3cncn3)n2)CN1Cc1ccccc1 2325784238 LYJZSPQCLVLIOU-MRXNPFEDSA-N 349.442 2.522 0 50 EFAA CC1(C)Cc2cccc(CN3C[C@H](CC(=O)O)OCC3(C)C)c2O1 2325788328 YUVYNZJCFNYSMZ-HNNXBMFYSA-N 333.428 2.854 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2CCNc3ncccc32)c1Cc1ccccc1 2325795167 LFFMZHKLOIJAHO-QGZVFWFLSA-N 347.422 2.693 0 50 EFAA Cn1nc([C@H]2CCCN2)cc1C(=O)Nc1ccc2[nH]nc(Cl)c2c1 2325820853 REZBBRCXXOITLV-GFCCVEGCSA-N 344.806 2.627 0 50 EFAA N=c1cc(NCCc2cnc3c(Cl)cnn3c2)c2ccccc2[nH]1 2325859270 TVIUEFZIKRXZJZ-UHFFFAOYSA-N 338.802 2.998 0 50 EFAA Cc1noc(C)c1CN(C)S(=O)(=O)[C@H]1CCc2ccccc2C1 913909302 WXMMVNDUZUIQIF-INIZCTEOSA-N 334.441 2.611 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@H](N)C3)c2C2CC2)cc1Cl 132546088 BJBNLYLNQURTKO-ZDUSSCGKSA-N 344.846 2.885 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(SC)s1 247494709 CNNOVTCUQGQZIX-MXWKQRLJSA-N 327.475 2.566 0 50 EFAA Cc1ccc(F)c(C(=O)Nc2c(C)nn(CC(=O)O)c2C)c1Cl 55392990 AZHZDJOYLUOZOY-UHFFFAOYSA-N 339.754 2.938 0 50 EFAA Cc1ccc(N2O[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 101607718 HOZZJRZZAUAVBB-PMPSAXMXSA-N 342.782 2.783 0 50 EFAA O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 10165485 SGCZZUJHFQJYFC-UHFFFAOYSA-N 338.407 2.697 0 50 EFAA C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2F)C1 10544122 PQIGMTCDNGBJJV-HUUCEWRRSA-N 342.480 2.613 0 50 EFAA CCc1n[nH]c(SCC(=O)N2CCCC[C@@H]2c2nccs2)n1 20535129 DIPGIZXAGSHLDY-SNVBAGLBSA-N 337.474 2.670 0 50 EFAA COc1cccc(Nc2nc(N)nc(CN3C[C@@H](C)C[C@@H](C)C3)n2)c1 9483677 PELYXYXDTZWKDT-BETUJISGSA-N 342.447 2.684 0 50 EFAA CC(C)c1nc(N2CCN(CC3CCCCC3)[C@@H](CCO)C2)no1 106946629 SPFXZYJYFBEXKT-INIZCTEOSA-N 336.480 2.646 0 50 EFAA O=C(c1ccc(NCCO)nc1)N1CCC[C@@H](c2ccccc2)CC1 20999627 ZKLRBSXTPCOAKR-QGZVFWFLSA-N 339.439 2.896 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1(c2ccccc2)CCOCC1 248148500 SNDAAXNBANZRAY-RBUKOAKNSA-N 342.483 2.820 0 50 EFAA CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1nc(C)c(C)s1 67821359 NTGCDIVMJDNQFM-GFCCVEGCSA-N 342.424 2.878 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc1C 22852903 BQMUIBJMQMUHIY-SFHVURJKSA-N 334.504 2.918 0 50 EFAA O=C(c1cncc(C(F)(F)F)c1)N1CCC([C@H]2CCNC2)CC1 423642865 LONWJVOETUJDQZ-LBPRGKRZSA-N 327.350 2.562 0 50 EFAA COc1c(C)cnc(CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1C 67713754 ATMCKWDUBQDMKC-UHFFFAOYSA-N 340.383 2.929 0 50 EFAA COc1cc(CN2CCC[C@@H](N(C)CCCN(C)C)C2)ccc1F 23359028 MUTZWEYDIQCRFR-QGZVFWFLSA-N 337.483 2.682 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 348248582 STMTZQLDCKIHCB-MOPGFXCFSA-N 342.414 2.835 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cccc3c2OCCO3)c2ccccc21 327044464 NYTXQNISSLUFKZ-ZDUSSCGKSA-N 339.347 2.677 0 50 EFAA Cc1ccc(Cl)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1F 67884914 JKYOSQLKJCBGDH-LBPRGKRZSA-N 348.871 2.549 0 50 EFAA C[C@@H]1CN(C)C[C@@H]1C(=O)N(Cc1ccccc1)CC1(O)CCCC1 328596339 IFDIMKBSJVTKOH-AEFFLSMTSA-N 330.472 2.518 0 50 EFAA Cc1ccc(C2CCN(C(=O)Nc3cc4n(n3)CCCC4)CC2)cn1 329458055 QYQSRRVITRDBOL-UHFFFAOYSA-N 339.443 3.334 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c(F)n12 67966331 RNDJKCWTCANTCV-LBPRGKRZSA-N 327.363 2.525 0 50 EFAA CN(Cc1ccc2c(c1)OCCO2)C[C@@H]1Cc2ccccc2CN1C 72134758 FJENJTZFFVLJQT-IBGZPJMESA-N 338.451 2.946 0 50 EFAA Cc1n[nH]c(C)c1CNc1nc(-c2ccccc2)nc2c1CCNCC2 72431986 HVRBLPJQPJIDAI-UHFFFAOYSA-N 348.454 2.784 0 50 EFAA CCN1C[C@@H](C(=O)N2CCC(Sc3ccccc3C)CC2)CC1=O 77385285 WPDOURGQQNFRKD-HNNXBMFYSA-N 346.496 2.947 0 50 EFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](C)COc1ccccc1F 241124326 JHJDKXCWYZQOFW-QLFBSQMISA-N 339.407 2.683 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cn1 72174524 NIPDGUGGXXPFLQ-MRXNPFEDSA-N 328.391 2.895 0 50 EFAA Cn1nc(CN2CCC3(CC2)COC(=O)O3)c2c(Cl)cccc21 215972694 MJVDDYDZUCOLSP-UHFFFAOYSA-N 335.791 2.728 0 50 EFAA O=C(NC[C@@H]1CCc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 153458174 AOVMFIUXTPMKLD-FUHWJXTLSA-N 337.423 2.974 0 50 EFAA CCn1ncc2c1CCC[C@@H]2NC(=O)C[C@H](O)c1cccc(F)c1 362273021 MJLUJOXWTZVTHS-RDJZCZTQSA-N 331.391 2.659 0 50 EFAA C[C@@H]1CCc2[nH]nc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2C1 214986365 CSIXJOYLHSOQLR-GFCCVEGCSA-N 341.459 2.799 0 50 EFAA Cc1ccc2c(CCNC(=O)N3CC4(CCOCC4)C3)cn(C)c2c1 490230315 LFWMHPPHLSWQBM-UHFFFAOYSA-N 341.455 2.851 0 50 EFAA Cc1cccc(CN2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)c1 72476745 XZPGXQUFDVGSQS-HNNXBMFYSA-N 346.862 2.750 0 50 EFAA Cc1nc(CN2CCC[C@H](N(C)Cc3cccc4[nH]ccc34)C2)no1 371377788 FDMSYLAFEXFTOG-INIZCTEOSA-N 339.443 2.956 0 50 EFAA O=C(C[C@H]1COCCN1C(=O)[C@@H]1Cc2ccccc21)c1cccs1 343605675 BWGQFOZVHCTBSC-GOEBONIOSA-N 341.432 2.888 0 50 EFAA O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC[C@@H](C2OCCO2)C1 246772668 RMCZMSWXVOTGSO-PLMTUMEDSA-N 341.451 2.892 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 247024095 QLZNKUFYDHZEFR-UWWQBHOKSA-N 333.451 2.882 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(Cl)cc1OCC(F)F 288806114 ZSVHVYYBGLJVQV-SNVBAGLBSA-N 346.761 2.981 0 50 EFAA CC(C)c1nc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)no1 176923293 AXPHMVJBCCPXHI-GFCCVEGCSA-N 347.419 2.996 0 50 EFAA CN1C(=O)[C@H]2[C@@H](c3ccccc3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968339 XFNDAQQYMBQVPO-ARFHVFGLSA-N 342.782 2.816 0 50 EFAA CC(=O)c1cccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 82121190 HKHDGQMVKSRNBH-IBGZPJMESA-N 344.455 2.606 0 50 EFAA C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cncc(Cl)c1Cl)CS2 180065293 QCPVGNSHPCVAFO-NOZJJQNGSA-N 346.239 2.781 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@H](OCc3ccccc3)C2)cn1 95377093 MSGCPVCLOARGKJ-KRWDZBQOSA-N 325.412 2.860 0 50 EFAA Cc1cccc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1C 95352737 KQBUTFHUAJVUAZ-IBGZPJMESA-N 339.439 2.642 0 50 EFAA CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCCCCN2C)n1 95356031 FZGCSAWPUZXFTM-MRXNPFEDSA-N 347.507 2.530 0 50 EFAA Cn1nccc1CCC(=O)NCc1nc(-c2ccccc2)cs1 97784867 IQXGXIUDNONLBP-UHFFFAOYSA-N 326.425 2.793 0 50 EFAA CCc1nc(CN(C)C(=O)c2cc(C)nc3cc(OC)ccc23)no1 426380267 ARAIMRZSIKWMSZ-UHFFFAOYSA-N 340.383 2.769 0 50 EFAA Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2)n1 238900799 KCCDVTQUXCGTRR-XLAORIBOSA-N 340.471 2.638 0 50 EFAA CCc1nccn1CCC(=O)N1CCC[C@@](CC=C(C)C)(C(=O)O)C1 91381336 QQFGJJXKJVOWTR-IBGZPJMESA-N 347.459 2.885 0 50 EFAA COCc1ncc(CN2CCC[C@](CC=C(C)C)(C(=O)O)C2)cn1 91713181 YFIMFKTWVNFBTD-GOSISDBHSA-N 333.432 2.646 0 50 EFAA Cc1cc(C)c(C(=O)N2CCN(CCOc3ccccc3)CC2)cn1 91818113 NDXAFJICUMBURR-UHFFFAOYSA-N 339.439 2.535 0 50 EFAA CCC[C@@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 236788135 OUYIWUJSPRVJGK-IJEWVQPXSA-N 331.460 2.871 0 50 EFAA COc1ccccc1OC1CN(C(=O)[C@@H]2COc3ccccc3C2)C1 95527079 NSVRTFGTWDETIN-HNNXBMFYSA-N 339.391 2.536 0 50 EFAA Cc1n[nH]c(C)c1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1 91504603 HAWQMYOZAVJAAU-UHFFFAOYSA-N 328.391 2.730 0 50 EFAA CCCn1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1C 91636853 LDDHIGSWOTXGQP-UHFFFAOYSA-N 329.448 2.757 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)NCc1ccc(F)cc1)C2 91713006 LWFQZUDVGMNPRO-CQSZACIVSA-N 344.386 2.885 0 50 EFAA CC1(C)C[C@H](CN2CCN(c3ccc(C(=O)O)cc3)CC2)CCO1 97636578 RLGLDSVWNDKQAY-OAHLLOKOSA-N 332.444 2.712 0 50 EFAA O=C([C@H]1CCCc2[nH]ncc21)N1CCO[C@H](CCc2ccccc2)C1 183335284 ROUVQINBHPWWDL-SJORKVTESA-N 339.439 2.690 0 50 EFAA O=C(NC1CC1)[C@@H](O)C1CCN([C@H]2CCCc3ccc(F)cc32)CC1 299753589 YSHAGYRPEZDPIZ-OALUTQOASA-N 346.446 2.555 0 50 EFAA Cc1cc(OCC(=O)N2CC[S@](=O)CC[C@@H]2C)ccc1C(C)C 252506909 WDAPTZZCZRYXRJ-NPMXOYFQSA-N 337.485 2.867 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC(Oc3ccncc3)CC2)cc1 252501316 UDXCXEYFKDUIME-UHFFFAOYSA-N 325.412 2.831 0 50 EFAA O=C(NCC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 375466652 FNPZMQQMIQPBEI-UHFFFAOYSA-N 336.439 2.612 0 50 EFAA CC[C@@H](NC(=O)N1CCN(CCOC)CC1)c1ccc(C)cc1C 584885266 HNAOPJYFTXYHSF-GOSISDBHSA-N 333.476 2.728 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1C 828133684 NZQLQGDSCCFVNE-OAHLLOKOSA-N 343.427 2.994 0 50 EFAA CCCn1nc(-c2ccccc2)nc1CC[C@@H](C)N1CCN(C)CC1 823033058 FVTLEEGPUXUCIH-QGZVFWFLSA-N 341.503 2.924 0 50 EFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)NC1CC(C(=O)O)C1 871656723 VEFIFCGKNRBHDB-UHFFFAOYSA-N 334.763 2.510 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(Cl)cn2C)C3)o1 952851627 POUIFRCEMJJGBV-ZBEGNZNMSA-N 334.807 2.564 0 50 EFAA O=C(NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F)OCCF 952994554 WVLDIDNVKDVEDL-JOCHJYFZSA-N 342.314 2.729 0 50 EFAA Cc1cnc(N2C[C@H](c3ccc(F)cc3F)[C@@H](C(=O)O)C2)nc1C 1875266651 YWSYWDCJINPPSC-KGLIPLIRSA-N 333.338 2.676 0 50 EFAA CC(C)(C)c1nc(CNC(=O)C[C@@H]2COCc3ccccc32)no1 1875295179 SJZFVIPNKHPNEE-CYBMUJFWSA-N 329.400 2.687 0 50 EFAA OC12C[C@H]3C[C@@H](C1)CC(CCNc1cncc(-n4cccn4)n1)(C3)C2 1875317633 GFWQDQXQCFALCC-MYMYQCDVSA-N 339.443 2.796 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(Cc3ccc(F)cc3Cl)C2)n1 888076228 KHSVLOQWXRSHKP-INIZCTEOSA-N 339.798 2.740 0 50 EFAA O=C([C@@H]1CCc2ncncc2C1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831850 VHJMHEFYKHTBAY-IIMJZQEZSA-N 334.423 2.514 0 50 EFAA COC1(C(F)(F)F)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C1 891602206 LKLSEWDSHOQVBA-VIFPVBQESA-N 342.321 2.597 0 50 EFAA N=c1cc[nH]c(-c2noc(C3(Cc4ccc(Cl)cc4)CC3)n2)n1 896308554 GZWXSRFZYVTECZ-UHFFFAOYSA-N 327.775 2.867 0 50 EFAA CCn1ncc(NC(=O)OC(C)(C)C)c1CNCC1(CO)CCC1 1775993284 DDCOIAVCGWLZAE-UHFFFAOYSA-N 338.452 2.502 0 50 EFAA COc1ccccc1[C@H]1CCN(C[C@@]2(O)CCCC[C@@H]2CC(=O)O)C1 1775999277 HIDZJZOIYCEUID-YRNRMSPPSA-N 347.455 2.881 0 50 EFAA C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cc(C(F)(F)F)ncn2)n[nH]1 1776005635 MODRTAGTVMMOCM-RNFRBKRXSA-N 326.282 2.986 0 50 EFAA Cc1cc(CNC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc(C)n1 1414092679 SOEHMDCONFBEPM-MRXNPFEDSA-N 348.830 2.946 0 50 EFAA COc1nscc1S(=O)(=O)N1CCc2cccc(Cl)c21 1423657905 TVHBDXHYENSPEC-UHFFFAOYSA-N 330.818 2.557 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 165418802 UFUQQRPEXNATBG-CYBMUJFWSA-N 326.352 2.811 0 50 EFAA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3[nH]ncc23)C1 301767275 BWEUKOBPYCNLTP-AAEUAGOBSA-N 349.316 2.684 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2oc3c(C)cccc3c2C)o1 275360719 MSQCNUYCLXHDEE-CQSZACIVSA-N 341.367 2.955 0 50 EFAA Cc1cscc1C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 275515136 DOADOZSEPHONIO-ZDUSSCGKSA-N 331.441 2.811 0 50 EFAA O=C(O)[C@H](N[C@H]1CCOc2c(Br)cccc21)C1CC1 635014973 AZAHYHXAAXUMDK-NWDGAFQWSA-N 326.190 2.726 0 50 EFAA CN(C)c1noc(CSc2nnc(NCc3ccccc3)s2)n1 225569335 CYVGHIIMMIXJJC-UHFFFAOYSA-N 348.457 2.892 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccc(C)c2)c1 225715301 JKPANAWEQACZRP-MAUKXSAKSA-N 347.436 2.500 0 50 EFAA NC(=O)N1CCC(NC(=O)c2ccc(-c3cccs3)s2)CC1 170594015 QQNWHHMXNYWJMB-UHFFFAOYSA-N 335.454 2.750 0 50 EFAA C[C@@H]1COCCN1CCSc1nnc(C2CC2)n1-c1ccccc1 170605520 DSHFFIPZFVJDJV-CQSZACIVSA-N 344.484 2.958 0 50 EFAA COc1ccnc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 280121124 AOTWVHAYTWAXGB-ZWNOBZJWSA-N 339.317 2.816 0 50 EFAA COC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C)CC1 282415850 IOPBDHCZYVAEGT-GFCCVEGCSA-N 334.395 2.709 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C/C=C/c2ccc(F)cc2)C1 190070153 RNDNUPCPUFDFEC-OBMMGQTPSA-N 345.374 2.909 0 50 EFAA CCOc1cc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)ccc1OC 643773395 YGDHJFUQVDYTDE-CABCVRRESA-N 331.416 2.779 0 50 EFAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 194098285 KEZHTSNHTHDZSL-DYVFJYSZSA-N 344.459 2.712 0 50 EFAA Cc1c(Br)ccc(NC(=O)NCc2ccnn2C)c1F 194193880 GQZCUPZSZKFLPA-UHFFFAOYSA-N 341.184 2.952 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc2c(c1)ncn2C 1506404747 FTWMAPPKFSDQKU-SFHVURJKSA-N 348.450 2.702 0 50 EFAA CC[C@H](C)Oc1c(CN(CCO)Cc2cncn2C)cccc1OC 1704311145 ZWUJVUFHXWCNBT-HNNXBMFYSA-N 347.459 2.601 0 50 EFAA O=C([C@H]1CC2CCN1CC2)N1CCC(Oc2ccccc2F)CC1 1800410157 OWXNDOHHFMWFME-QGZVFWFLSA-N 332.419 2.680 0 50 EFAA Cc1cc2ccccc2n1CCC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 220155236 CMNMXBLDYGNHPZ-WMZOPIPTSA-N 325.456 2.892 0 50 EFAA O=C(c1cccc2c(Cl)cccc12)N1C[C@@H]2COCC[C@]2(CO)C1 1772706114 OSECGARABFOGHE-BFUOFWGJSA-N 345.826 2.964 0 50 EFAA CC(=O)N1CCC(NCc2cccnc2-n2cnc3ccccc32)CC1 12304933 JWDOPTHTTQRCGH-UHFFFAOYSA-N 349.438 2.521 0 50 EFAA COc1cnccc1[C@@H](C)NC1CCN(c2cc(C)nc(C)n2)CC1 1857529026 DSNJMOLCBVGSDQ-CQSZACIVSA-N 341.459 2.817 0 50 EFAA OCCOc1ccc(-c2nccn2C[C@H]2CC[C@H](CO)CC2)cc1 1857708876 RTIYASQDKWETKF-WKILWMFISA-N 330.428 2.720 0 50 EFAA c1ccn2c(-c3cc4c(s3)C3(CCNCC3)OCC4)nnc2c1 1857721415 NVJGHAIXZCSACU-UHFFFAOYSA-N 326.425 2.609 0 50 EFAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(S(C)(=O)=O)o1 332144927 QNZVMCVSGTXGNF-TZMCWYRMSA-N 333.409 2.701 0 50 EFAA CC(C)n1ccc(NC(=O)N2CCCN(CC(F)(F)F)CC2)n1 241287107 LJYYDLCQLAELLD-UHFFFAOYSA-N 333.358 2.566 0 50 EFAA COc1ncc(CNc2cc(C[S@](C)=O)ccc2Cl)c(C)n1 252494535 NXYPWLJDGNQQGB-QFIPXVFZSA-N 339.848 2.938 0 50 EFAA COc1ccc(C[C@@H](C)CNC(=O)c2cn(C(C)(C)C)nn2)cc1 252510523 ZMTGMJRPERAYGD-CYBMUJFWSA-N 330.432 2.650 0 50 EFAA Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Cc3ccccc3Cl)CCO2)n1 156735891 CPVWYPCHXVCZON-XHDPSFHLSA-N 348.834 2.545 0 50 EFAA CCc1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)nc(C)n1 266033822 CYQHFYDKVWCTPA-UHFFFAOYSA-N 330.354 2.560 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)[C@@H]1CCOC1 267002390 CWYGSGNFVIKRDL-YXJHDRRASA-N 334.435 2.721 0 50 EFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 906840013 CWDACINZPDGVPD-OAHLLOKOSA-N 346.818 2.534 0 50 EFAA Cc1nc2n(n1)C[C@@H](c1nc(C3(c4ccccc4F)CC3)no1)CC2 817100502 DQDVRTBUZAWYNK-LBPRGKRZSA-N 339.374 2.919 0 50 EFAA Cn1c(=O)cc2c3c(c(N4CCOCC4)ccc31)C(=O)c1ccccc1-2 33449 REMKVOWNYFATFL-UHFFFAOYSA-N 346.386 2.587 0 50 EFAA biogenic NC(=O)c1cc(N2CC3(COc4ccccc4C3)C2)nc2ccccc12 2100544790 JLFPGIFFWNXUHY-UHFFFAOYSA-N 345.402 2.775 0 50 EFAA CCc1cccn([C@H]2CCN(c3ccccc3OC(F)F)C2=O)c1=O 2325772380 KRQUUMHMRAYJMF-AWEZNQCLSA-N 348.349 2.990 0 50 EFAA C[C@@H]1OC2(C)CC1(c1nc([C@]3(C)COc4ccccc4O3)no1)C2 2325777569 MBHBDKOGCKRBPL-FIZUUMROSA-N 328.368 2.965 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCc3ccccc3C2)c1 2325783814 CWWDBQGOARGOAN-ZDUSSCGKSA-N 340.398 2.850 0 50 EFAA Cn1nc(Cn2nc(Br)nc2C2CCC2)cc1Cl 2325789570 YTRXOKPOMORHBT-UHFFFAOYSA-N 330.617 2.743 0 50 EFAA O=C(O)c1ccn(C2CCN(Cc3c(F)cc(F)cc3F)CC2)n1 2325797644 KNGDZEMGMVMXJP-UHFFFAOYSA-N 339.317 2.836 0 50 EFAA C[C@@H]1CCCc2c(-c3nc(CCCO)nn3[C@@H]3CCSC3)cnn21 2325848254 CJHPOQOBDNSVKC-CHWSQXEVSA-N 347.488 2.642 0 50 EFAA Cc1c[nH]c(-c2noc(Cn3nc(C(F)(F)F)c(Cl)c3C)n2)n1 896936482 RUPHAONSUDDJSM-UHFFFAOYSA-N 346.700 2.994 0 50 EFAA C[C@H]1CN(C(=O)CNc2cccc(-c3nccs3)c2)C[C@H](C)O1 901487120 KLLSWVWZYVFXOA-STQMWFEESA-N 331.441 2.858 0 50 EFAA O=C(Nc1cnc(Oc2ccccc2)nc1)N[C@@H]1CCO[C@H]1C1CC1 932176791 CMENFTXNJSVDMM-CVEARBPZSA-N 340.383 2.958 0 50 EFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 244008 ZSOPSVVEKQFKQA-UHFFFAOYSA-N 341.436 2.650 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 253827 TUKIUTGWWSDEKX-ZDUSSCGKSA-N 338.835 2.944 0 50 EFAA O=C1Nc2ccccc2/C1=C1/SC(=O)N(c2ccc(O)cc2)C1=O 4822780 WWJGAZXEQMWSFQ-YPKPFQOOSA-N 338.344 2.955 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 4868086 DOUFEIKUCKMMGP-DIFFPNOSSA-N 326.352 2.812 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NS(C)(=O)=O 6704261 MSVNANJZPOGUHE-AWEZNQCLSA-N 346.452 2.809 0 50 EFAA COC(=O)/C(=C/c1cc(C)n(C)n1)c1ncc(Br)s1 864087698 VGLQJYOIOIKPAE-WEVVVXLNSA-N 342.218 2.661 0 50 EFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 10156556 LZYWFOCWOKVXTM-ZDUSSCGKSA-N 342.468 2.511 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1 9109567 OILAUTXNLFJSJQ-RMKNXTFCSA-N 346.408 2.909 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@H]2CCCCN2C)c1 55413772 OPHICVSBGWTGNL-CQSZACIVSA-N 337.851 2.855 0 50 EFAA C[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCCC1 173337877 VFJSIOKDZJLMMI-HNNXBMFYSA-N 328.460 2.796 0 50 EFAA CCS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2F)c1 134952152 GFPPYGKNYHCYCD-UHFFFAOYSA-N 339.363 2.688 0 50 EFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2noc(C3CC3)n2)c1 55404287 NXODCKYWILOJHX-ZDUSSCGKSA-N 329.400 2.990 0 50 EFAA O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cnn(-c2cccnc2)c1 346077924 BNNKQQWFEOLFEC-MOPGFXCFSA-N 348.406 2.917 0 50 EFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)nc2)C1 67541234 UYCYFFOUBPKJDI-HNNXBMFYSA-N 340.427 2.939 0 50 EFAA CCO[C@H](C)c1noc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 229295400 MSUSXQFHKFKGPS-DGCLKSJQSA-N 347.419 2.807 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CC[C@@H]2CCCCN2C)CC1 65382040 VPMVEXRKQBTVEY-SFHVURJKSA-N 329.488 2.908 0 50 EFAA C[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)CCN1Cc1ccccc1 173530564 MJYQXWCPXOLXOX-HNNXBMFYSA-N 349.438 2.695 0 50 EFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 229930167 GWPUPDAMTNREIU-JVPBZIDWSA-N 339.439 2.623 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nonc3C)n2c1 65527080 VRHNACHISOOBDW-CYBMUJFWSA-N 325.372 2.620 0 50 EFAA COc1ccc(C)cc1C(=O)NCC1CCN(C2CCOCC2)CC1 67855648 YVBBQPOCMDPLPN-UHFFFAOYSA-N 346.471 2.624 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cccn2C2CCCC2)o1 328609729 FQEFRQWKBBJKBP-OAHLLOKOSA-N 330.388 2.508 0 50 EFAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1cc(COc2ccccc2F)on1 239672623 BUGUQTHPZFXCHX-JKDFXYPNSA-N 348.374 2.822 0 50 EFAA Cc1nc([C@H]2CN(C(=O)CCc3cc(Cl)cs3)CCO2)no1 329558118 QREXOQDLVDVXMX-GFCCVEGCSA-N 341.820 2.626 0 50 EFAA CCn1cnnc1CCn1cnc(-c2ccccc2)c1[C@@H]1CCOC1 65372969 KQNYLNXVCPVCEH-MRXNPFEDSA-N 337.427 2.908 0 50 EFAA CCc1c(C(=O)N2CCOCC2(C)C)nnn1-c1cccc(Cl)c1 331247752 VWAKHTMPSDBQQQ-UHFFFAOYSA-N 348.834 2.734 0 50 EFAA C[C@@H](C(=O)Nc1cc(C(F)(F)F)[nH]n1)[C@H]1OCCc2sccc21 331666046 YFWKAFVWHYCTAL-JMCQJSRRSA-N 345.346 3.379 0 50 EFAA COc1ccc(OC)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1 205086 DIVWJVAQFGKIRY-UHFFFAOYSA-N 343.305 2.866 0 50 EFAA Cc1ccc(CN(CCO)C(=O)c2ccc(OC(F)F)c(F)c2)o1 352500569 PIXZGOMEQYPQBZ-UHFFFAOYSA-N 343.301 2.963 0 50 EFAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1nc[nH]n1 6000154 JGLJEDXVFJIKJH-UHFFFAOYSA-N 332.319 2.830 0 50 EFAA COC(=O)c1cccc(OCc2noc([C@@H]3CCO[C@H]3C(C)C)n2)c1 252498690 RIPMBYPZPQFZBB-ZBFHGGJFSA-N 346.383 2.964 0 50 EFAA Cn1ncc2c(N[C@@H]3CN4CCC3CC4)nc(C3CCCC3)nc21 72418907 DWJXMKRUKGAMEE-OAHLLOKOSA-N 326.448 2.527 0 50 EFAA CCCn1ccc2ccc(NC(=O)N3CC(=O)N(C4CC4)C3)cc21 333372818 ZUMSATFRQPIWAN-UHFFFAOYSA-N 326.400 2.847 0 50 EFAA CCn1ncnc1CN1CCC[C@H](c2nc(-c3ccccc3)no2)C1 216045203 FEKQBSSQXDDARF-HNNXBMFYSA-N 338.415 2.728 0 50 EFAA Cc1ccc(OC2CCN(C(=O)COC[C@H]3CCCO3)CC2)cc1 77386333 QHRZYJAILDGXFU-GOSISDBHSA-N 333.428 2.560 0 50 EFAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)[C@H]2CC=CCC2)CC1 72410165 NCRDMMQPBZBENT-HNNXBMFYSA-N 344.411 2.571 0 50 EFAA CC[C@H](C)[C@H](N)C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 218981896 CMWRRLAWRINTDP-XPTSAGLGSA-N 342.365 2.582 0 50 EFAA CC[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1ccnn1C 72428560 BPQYEGCCYHUNEP-GFCCVEGCSA-N 338.371 2.534 0 50 EFAA COCCOc1ccc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(C)c1 242038554 VMBUISOCVJDJCP-CVEARBPZSA-N 348.443 2.911 0 50 EFAA COc1cccc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)n1 242389579 ZYNALWIPVVSYDZ-UHFFFAOYSA-N 342.399 2.801 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1C(F)(F)F)C2 72429797 NHESCYRJICINBU-WDEREUQCSA-N 341.333 2.790 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)c1 363136216 FSVIJEZGTUSEGI-IAGOWNOFSA-N 340.471 2.929 0 50 EFAA C[C@H](NC(=O)[C@@H]1CSC(=O)N1)c1nc(-c2ccccc2)cs1 155956769 OODYZNJWIQRBPK-CABZTGNLSA-N 333.438 2.812 0 50 EFAA CC(C)Nc1ncccc1C(=O)N1CC[C@H](Oc2ccccn2)C1 363791239 IWZCPIRLKUBAFJ-AWEZNQCLSA-N 326.400 2.590 0 50 EFAA Cc1cnn(-c2ccc(S(=O)(=O)N3CCC[C@H]3C3CC3)cc2F)c1 363947146 FNPRFHHQGNJQHF-INIZCTEOSA-N 349.431 2.883 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)OC1=O 77337643 IJGPQHXNUAVCNG-LBPRGKRZSA-N 349.431 2.907 0 50 EFAA CCc1cc(N2CCN(c3cc(C)nc(C)c3)CC2)n2nccc2n1 72406972 PMEWIXHFLAZMEV-UHFFFAOYSA-N 336.443 2.630 0 50 EFAA CN(C)c1ncc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)cn1 72478516 DTDBPGJOKVMNPS-GOSISDBHSA-N 338.455 2.566 0 50 EFAA O=C(NCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 372276125 WNPMQKIDLHXMJN-HBJVGIJOSA-N 339.317 2.535 0 50 EFAA c1ccn2ncc(CNc3nc(C4CCCC4)nc4c3CNC4)c2c1 72130964 GYFGLYRWWMOJIO-UHFFFAOYSA-N 334.427 2.997 0 50 EFAA Cc1oc(-c2ccccc2Cl)nc1CN1CCN(C)C(=O)[C@H]1C 72430575 LQPQUXNJCRKOQM-LLVKDONJSA-N 333.819 2.966 0 50 EFAA Cc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)co1 72408588 YUCJFQUSXWIBOL-UHFFFAOYSA-N 346.431 2.553 0 50 EFAA OC[C@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn23)C1 72411345 DKSVVXPSZNCVBP-ZDUSSCGKSA-N 326.375 2.744 0 50 EFAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)c(C(F)(F)F)c1 375500816 YXDCHNPASXJHTJ-GYSYKLTISA-N 330.325 2.930 0 50 EFAA Cc1c[nH]nc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 378140633 ZGRGRTNGMBOUQQ-LBPRGKRZSA-N 333.823 2.617 0 50 EFAA Cc1nc(Cl)ccc1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 378277132 KXIYVQYPHFCBRE-CQSZACIVSA-N 334.807 2.600 0 50 EFAA Cc1ncc(C(=O)N[C@H](C)Cc2nc(-c3ccccc3)no2)c(C)n1 378474956 OXTNCGLQCLSKAN-LLVKDONJSA-N 337.383 2.504 0 50 EFAA CCCc1cc(C(=O)NCc2nn(C)c3cccc(Cl)c23)n(C)n1 82087560 PIEXAGGTFIWFIC-UHFFFAOYSA-N 345.834 2.843 0 50 EFAA CCc1cnc(CNC(=O)N[C@@H]2COc3c(C)cccc3C2)s1 291036498 NUQMOFYDANHLIU-ZDUSSCGKSA-N 331.441 2.817 0 50 EFAA CC1(C)CN(C(=O)c2cccc(-n3cnnc3)n2)C[C@@H]1c1ccccc1 426493353 ZLZVFZCYTKINHL-MRXNPFEDSA-N 347.422 2.928 0 50 EFAA O=C(NCc1c[nH]nc1-c1ccccc1)c1cccc(-c2nc[nH]n2)c1 426523483 NIRADHHUSBKSFE-UHFFFAOYSA-N 344.378 2.792 0 50 EFAA CC(C)C[C@H](NC(=O)CC(C)(C)C1CC1)c1nc(-c2nnc[nH]2)no1 293543513 OOJQJNXUNXNKLM-LBPRGKRZSA-N 346.435 2.884 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)cc1C)C2 91468883 JADYRFGXGJSLOZ-DOTOQJQBSA-N 332.419 2.536 0 50 EFAA O=C(c1ccon1)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96141918 YNOMJIRWDRTJLP-UHFFFAOYSA-N 330.294 2.541 0 50 EFAA CN(C)Cc1cccc(C(=O)NCc2csc(N3CCCC3)n2)c1 97568838 SODYNKREKRZHSA-UHFFFAOYSA-N 344.484 2.735 0 50 EFAA C[C@@H](c1cn2ccsc2n1)n1cc(-c2ccccc2C(=O)O)nn1 95391920 GPHBLGXNLAGMBD-JTQLQIEISA-N 339.380 2.962 0 50 EFAA O=C(NCCOc1ccccc1)c1cnc(-c2cccs2)nc1O 91896363 XBSZKODHQXMQMA-UHFFFAOYSA-N 341.392 2.720 0 50 EFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCN(C)CC1 95497402 CIYIUWLCPVORJE-UHFFFAOYSA-N 345.472 2.957 0 50 EFAA Cc1nccn1CC1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 95530583 PMTMYWVICAZABW-SFHVURJKSA-N 339.439 2.681 0 50 EFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1ccccc1-n1cncn1 95355217 KKJSQJKKCWKALT-HNNXBMFYSA-N 348.406 2.639 0 50 EFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NS(=O)(=O)C2CC2)c1C 91644709 PVNLWKLUDCDBMN-MRXNPFEDSA-N 345.468 2.948 0 50 EFAA C[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)n1ccnc1 91663146 RVOGCCRGROTWSU-JTQLQIEISA-N 328.199 2.946 0 50 EFAA O=C(O)c1coc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 183777119 LPQCHIQHVTWNAH-HNNXBMFYSA-N 347.342 2.938 0 50 EFAA CCCNC(=O)c1ccc(Cl)c(NC(=O)NCC2(C)COC2)c1 299755018 AAMIHEDHNLQUJO-UHFFFAOYSA-N 339.823 2.638 0 50 EFAA Cc1csc(CCCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1 299781164 OFCDZCAXWFJLOV-KRWDZBQOSA-N 344.484 2.732 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)s1 299786014 PHQGMEGMAMYJJX-INIZCTEOSA-N 345.468 2.995 0 50 EFAA Cc1nnc(CCNC(=O)c2cccc(-c3c(C)n[nH]c3C)c2)s1 299763415 WFHGICZWSXBWIF-UHFFFAOYSA-N 341.440 2.826 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)CCN2CCCCCC2=O)c1 824774945 XGUUUEJANZPCQK-KRWDZBQOSA-N 330.428 2.761 0 50 EFAA COCCc1nc([C@H]2CCCO2)n(-c2cc(Cl)ccc2OC)n1 670439892 MMJHFHUOHINAOJ-CQSZACIVSA-N 337.807 2.970 0 50 EFAA C[C@@H](NCCc1nnc2ccccn12)c1cc(Br)ccn1 1875285514 PKSCRPNFQXMHMP-LLVKDONJSA-N 346.232 2.780 0 50 EFAA COc1ccc2c(c1)C(CCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1)=CC2 1875304372 IOXBWRYZIYONPE-CABCVRRESA-N 329.396 2.642 0 50 EFAA C[C@H](CCN1CCc2[nH]cc(C(=O)O)c(=O)c2C1)c1ccccc1 1875339526 NOWISRLJLWOGCK-CYBMUJFWSA-N 326.396 2.625 0 50 EFAA FC1(F)CC[C@@H]2C[C@@]21CN1CC(c2ccnc(-c3ncccn3)n2)C1 1875356653 OUYAKVOSAFTVSG-CXAGYDPISA-N 343.381 2.768 0 50 EFAA O=C(O)C1([C@H]2CCN(S(=O)(=O)c3ccco3)c3ccccc32)CC1 882790802 KKMWQNUONHUDFY-ZDUSSCGKSA-N 347.392 2.827 0 50 EFAA Cc1c(NC(=O)c2cn(-c3ccccc3)nn2)cccc1C(=O)N(C)C 952967704 LSNLVTSEVGQVOC-UHFFFAOYSA-N 349.394 2.530 0 50 EFAA CCn1c(O)nc2ccc(C(=O)N[C@H](c3cnn(C)c3)C(C)C)cc21 885416599 GLHAGVPTPJWUGA-INIZCTEOSA-N 341.415 2.622 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cnc(C2CC2)nc1 886080232 QTOGTWOYRUXNPP-AEFFLSMTSA-N 341.459 2.572 0 50 EFAA Cc1nscc1C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 886565557 UTWHBPKDNLTRFH-GFCCVEGCSA-N 330.331 2.934 0 50 EFAA COCc1nccc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 892460898 WPLVNIDYORMULF-CQSZACIVSA-N 346.818 2.518 0 50 EFAA O=[S@](c1ccccc1NCC1(CO)CCOCC1)C(F)(F)F 1775998606 GLTCTSUJXVAJRF-JOCHJYFZSA-N 337.363 2.515 0 50 EFAA CCOc1cc(CC[C@@H](C)NCc2cnn(CCOC)c2)ccc1O 1776006858 XRSRHWPUNXBDFU-OAHLLOKOSA-N 347.459 2.745 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)[C@@]2(c3ccccc3)C[C@H]2C(=O)O)s1 899816739 GREPXEXDUNMYJH-SCLBCKFNSA-N 344.436 2.845 0 50 EFAA c1ccc(CO[C@H]2CCOC[C@@H]2Nc2ncnc3ccccc23)nc1 1565514142 GBADSLWTEOICCT-ROUUACIJSA-N 336.395 2.811 0 50 EFAA COC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)C1CC1 272199706 XTZUWZVWXUDRII-INIZCTEOSA-N 333.819 2.989 0 50 EFAA NC(=O)c1ncccc1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 278768221 UHXVHEBIHUVWPK-UHFFFAOYSA-N 343.814 2.686 0 50 EFAA CC(=O)OCCCc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c1 170609621 PDPOXIWEEBVJQY-IAGOWNOFSA-N 334.416 2.607 0 50 EFAA Cc1ccc(CCNCc2ccc(OCc3noc(C)n3)cc2)cn1 111396122 HKOYPGQZBQVWET-UHFFFAOYSA-N 338.411 2.993 0 50 EFAA CC1(C)CNCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 634760927 OKPKOLPQIXMHKI-QGZVFWFLSA-N 344.503 2.970 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2cccc(F)c2)c1 282569857 RVAMISXTTQDEPT-SJLPKXTDSA-N 329.371 2.711 0 50 EFAA CCc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 282683276 OTFDJWIYMRHZTN-INIZCTEOSA-N 328.456 2.844 0 50 EFAA CCN1CCCN(C(=O)NCCc2cccc3ccccc23)CC1=O 188635337 CCAOKJNMNHWJOZ-UHFFFAOYSA-N 339.439 2.646 0 50 EFAA O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)CC(F)(F)F 189338295 OTVITRCRMJTFAN-SNVBAGLBSA-N 331.315 2.662 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2ncc(-c3ccccc3)cn2)CCO1 190838592 ONDHYDRODOQIRQ-IBGZPJMESA-N 340.427 2.854 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CC[C@@H](C2CC2)N1 653075577 SHEIBLUNOBLYNS-ROUUACIJSA-N 341.455 2.782 0 50 EFAA Cc1ccsc1S(=O)(=O)N1C[C@@H](CC(=O)O)c2ccccc21 738798845 ONEJBXOZONYIRS-LLVKDONJSA-N 337.422 2.824 0 50 EFAA O=C(NCc1cccs1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506407041 IJLALLWBIJXFCY-INIZCTEOSA-N 339.424 2.724 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)c2c(C)oc3c2C(=O)CCC3)s1 1529125710 YFYNJIGVKMXOBB-QMMMGPOBSA-N 335.385 2.918 0 50 EFAA CCc1nn(C)c(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c1C 1529167461 KAGIZONFGIIIAH-AWEZNQCLSA-N 327.432 2.541 0 50 EFAA Cc1nsnc1C(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 1775982887 ZNEDVZRPBPWERD-LBPRGKRZSA-N 331.376 2.839 0 50 EFAA O[C@@H](CSc1nnc2ccc(C(F)(F)F)cn12)C(F)(F)F 158061307 CODGYGAGCGUFMD-LURJTMIESA-N 331.241 2.763 0 50 EFAA CN1CCN(c2ccc(NC(=O)COc3ccccc3F)cc2)CC1 5089669 IGQWOYRINWGRIR-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA CSCCC(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 11815753 FIBGDRZNYFKYOF-AWEZNQCLSA-N 328.441 2.785 0 50 EFAA O=C1C[C@H](NCc2cccnc2)CN1CCc1cccc(Cl)c1 12307922 TWBVZJDJYSBWHC-KRWDZBQOSA-N 329.831 2.668 0 50 EFAA O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc2c(c1)OCO2 16579208 MQLUZCLYFJJGDO-UHFFFAOYSA-N 339.800 2.688 0 50 EFAA CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C[C@@]3(C)CC2=O)cc1 169690406 SZSPPIDCQGEOHT-FEHORTKBSA-N 341.407 2.970 0 50 EFAA CC(=O)N1c2ccccc2C(CSc2ncnc(=N)[nH]2)=CC1(C)C 1857526069 GVADDAUOGVYZOV-UHFFFAOYSA-N 341.440 2.605 0 50 EFAA O=C1C[C@@H](Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CN1 1857705339 CULAJOZNKIEDAJ-LLVKDONJSA-N 342.399 2.949 0 50 EFAA Cc1csc2c(N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)ncnc12 1857710101 HSCQLPCCVJFQIT-HNSFDTNUSA-N 344.484 2.545 0 50 EFAA CC(C)C[C@H](CN)CC(=O)OCC(=O)N(C)C1CCC(C)CC1 408525727 XEXMEWGVBLLFEP-PCKAHOCUSA-N 326.481 2.578 0 50 EFAA O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)c1cc(F)cc2nc[nH]c12 739367715 KBTTVKHBZOIWGW-AWEZNQCLSA-N 349.268 2.536 0 50 EFAA COc1ccc(CN(C)C(=O)C2(C(=O)O)CC3(CCC3)C2)c(OC)c1 659120178 ZTKIDOAJLJZRNJ-UHFFFAOYSA-N 347.411 2.697 0 50 EFAA Cn1cc(-c2cc(CN3CCC(Cc4cccnc4)CC3)on2)cn1 253421160 QYAGYNDOCYAXNV-UHFFFAOYSA-N 337.427 2.925 0 50 EFAA C[C@H](CNC(=O)c1cc(F)ccc1Br)Cn1ccnc1 153771650 PYXHCPSTHIORBJ-SNVBAGLBSA-N 340.196 2.851 0 50 EFAA COc1cccc([C@H](NC(=O)CC2(OC)CCC2)c2nccn2C)c1 364549378 VRLLQDNPFVSMFK-KRWDZBQOSA-N 343.427 2.594 0 50 EFAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)C2CC(=O)C2)C1 788152890 IQAXIGXQKUHXEI-CQSZACIVSA-N 325.412 2.741 0 50 EFAA COc1cccc(C[C@@H](O)C(=O)N2Cc3cccc(Cl)c3C2)c1 489128990 YOZYULPDABAFJI-QGZVFWFLSA-N 331.799 2.794 0 50 EFAA C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(F)c1 266084383 VLSKVFIAJIXKEE-KDOFPFPSSA-N 340.398 2.847 0 50 EFAA CN(C(C)(C)c1ccccc1)S(=O)(=O)c1cc(C2CC2)nn1C 907175818 DGPAUCUNUXFVHW-UHFFFAOYSA-N 333.457 2.853 0 50 EFAA CN(Cc1cc2ccccc2[nH]1)C(=O)C1CCN(c2cnccn2)CC1 1252719696 DWUVEHQOCHNRAV-UHFFFAOYSA-N 349.438 2.833 0 50 EFAA Cc1cnc(OC(C)C)c(NC(=O)NCc2noc3c2COCC3)c1 931584021 RWBSEESBDYSMOQ-UHFFFAOYSA-N 346.387 2.560 0 50 EFAA CCn1nncc1CN[C@@H](C)c1ccc(OC)c(Br)c1 459433105 BLUWKIIXCZXCRN-JTQLQIEISA-N 339.237 2.920 0 50 EFAA C[C@H](C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1)[C@H](C)c1ccc(F)cc1 2325807654 KEACTUJDJCBACZ-MELADBBJSA-N 345.422 2.560 0 50 EFAA Cc1nccn1CCc1noc([C@@H]2CCN(c3ccccc3F)C2)n1 2325812766 FPBGUHIGBMETLX-CQSZACIVSA-N 341.390 2.950 0 50 EFAA Cc1cscc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 936230578 MPPBDIFPOANCFO-GFCCVEGCSA-N 346.456 2.548 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Br)c1 63466 PDROXKNRSADMJN-LBPRGKRZSA-N 339.189 2.640 0 50 EFAA CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1 528758 UOVZBDDHUTURET-HNNXBMFYSA-N 347.436 2.846 0 50 EFAA Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1 1049109 PQQZLDFCYBZGLD-INIZCTEOSA-N 340.398 2.846 0 50 EFAA O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1 1062975 HOJIWTYQNVFJSY-UHFFFAOYSA-N 332.406 2.709 0 50 EFAA Cc1cnnc(-c2ccc(C(=O)N3CCCC[C@H]3CO)cc2)c1C 2356150370 YUTVIQCGRLPIBM-KRWDZBQOSA-N 325.412 2.747 0 50 EFAA COc1cccc2c1C1(CCN(c3nc(C)ns3)CC1)OCC2 2356156532 GJPIBDOXJWTOMB-UHFFFAOYSA-N 331.441 2.924 0 50 EFAA COc1ccc(-n2cccn2)c(CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)c1 2356167705 YZMYYYZTLRPRPA-FVQHAEBGSA-N 327.428 2.759 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 8844144 GZZKDBFCGMRMMM-UHFFFAOYSA-N 349.843 2.951 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(c1ncnc3c1Cc1ccccc1OC3)C2 102836809 TWWRTXOYVACLBR-QWHZDKJVSA-N 337.423 2.821 0 50 EFAA Cc1nnc(SCCCNC(=O)c2ccncc2Cl)s1 55132339 OONXTFOFBVHLTG-UHFFFAOYSA-N 328.850 2.807 0 50 EFAA O=C(Cc1ccccc1)NCC(=O)N1CCCC2(CCCCC2)C1 111161319 HZSZMHDVJAFWLS-UHFFFAOYSA-N 328.456 2.918 0 50 EFAA NC[C@H]1OCC[C@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1 414638624 OIJVKGPQYSNAJV-MWLCHTKSSA-N 331.269 2.726 0 50 EFAA Cc1cc(N2CCC(Nc3cccnn3)CC2)nc(-c2ccncc2)n1 112080269 UVTWRJHCSFIRIQ-UHFFFAOYSA-N 347.426 2.718 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1361846761 PDKBQQDRBNRAEB-GFCCVEGCSA-N 335.425 2.502 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCN1 417192617 BWAKHACJSRIHQO-YPMHNXCESA-N 345.365 2.567 0 50 EFAA CN1CC[C@H](CNC(=O)c2cn[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 245736097 UTUDDMGIRLLKET-IAQYHMDHSA-N 336.798 2.625 0 50 EFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C(=O)N(C)C)c1 246148487 LNWFRLRNLLYKRD-IIDMSEBBSA-N 343.471 2.980 0 50 EFAA CC(C)N1CCC(CC(=O)NCc2noc(C3CCCC3)n2)CC1 65527356 GKLYMKUSZKVIOP-UHFFFAOYSA-N 334.464 2.854 0 50 EFAA C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1nnnn1C1CC1 248720991 GMCHYOPZZWIHLP-VBQJREDUSA-N 327.432 2.827 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348257104 IIJBGHZJDUZHTJ-CZUORRHYSA-N 343.333 2.789 0 50 EFAA Fc1ccc(N2CCN([C@H]3CCCN(C4CCOCC4)C3)CC2)cc1 23374373 UQHRVFCISPEFIT-FQEVSTJZSA-N 347.478 2.591 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)CN(C)C 67757597 AUAPMBXVLOLRMI-HNNXBMFYSA-N 327.428 2.996 0 50 EFAA CSc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1 64596149 AZHRAERKVAAWEB-CQSZACIVSA-N 342.530 2.809 0 50 EFAA Cc1c(Br)c(C(=O)NCc2cc3ccccc3[nH]2)nn1C 1012145 FTTMTOKWBGXHOF-UHFFFAOYSA-N 347.216 2.902 0 50 EFAA c1ccc(C[C@@H](c2ccccc2)N2CCO[C@@H](Cn3cncn3)C2)cc1 229499685 KYEFMVNUCJGGDS-RTWAWAEBSA-N 348.450 2.963 0 50 EFAA O=C(CCC1CCN([C@H]2CCSC2)CC1)NCc1cccnc1 12318334 XOEVVMQYYYHFKC-KRWDZBQOSA-N 333.501 2.696 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2F)C[C@@H](C)O1 229657200 CONJJRYHQOHEHN-RBSFLKMASA-N 335.423 2.931 0 50 EFAA CN1CC[C@@H](CNCc2cc(C(=N)O)cs2)[C@@H]1c1cccnc1 328625701 DLABQNNERKCYDS-BBRMVZONSA-N 330.457 2.809 0 50 EFAA Cc1cccc(-n2cc(CN3CCN(c4cccnc4)CC3)cn2)c1 77392738 QFZLFOBNKIPZEM-UHFFFAOYSA-N 333.439 2.898 0 50 EFAA CC(=O)c1oc2ccccc2c1NC(=O)c1cnc2c(c1)nnn2C 154015420 DBZWGRRZYSXWQC-UHFFFAOYSA-N 335.323 2.564 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2N(C)C)cc1 152520978 CCUNJNIOQLWGNJ-UHFFFAOYSA-N 347.440 2.536 0 50 EFAA CN1CC[C@H](NC(=O)c2ccncc2F)[C@H]1c1ccc(F)c(F)c1 240871420 IKJWGYQWGGPWIB-JKSUJKDBSA-N 335.329 2.674 0 50 EFAA CSCC[C@H](O)C(=O)N1CCN(c2ccc3ccccc3c2)CC1 77355521 DRAROKCXOAFVLM-SFHVURJKSA-N 344.480 2.602 0 50 EFAA O=C(c1cnn2cccnc12)N1CCC(Cc2ccc(F)cc2)CC1 77424438 ZBFSXSSMIOPECF-UHFFFAOYSA-N 338.386 2.963 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 369705823 FIZAUPYSKIAMGE-AMVTXUCVSA-N 347.480 2.970 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1ccnc3ccccc13)CCNC2 72419330 WDIZNEWBXSTANZ-UHFFFAOYSA-N 332.407 2.514 0 50 EFAA CCc1nc(CC(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cs1 262945036 QEJGMTQTQWWYRW-GJZGRUSLSA-N 344.436 2.575 0 50 EFAA C[C@@H]1Oc2c(cccc2C(=O)Nc2cc(C3CCC3)nn2C)NC1=O 158670986 ANNOCQPQEODTHC-JTQLQIEISA-N 340.383 2.659 0 50 EFAA COc1ccc(C2(C(=O)NCCNc3ccncc3C)CC2)cc1 222449952 RYULIESCMYNOEH-UHFFFAOYSA-N 325.412 2.659 0 50 EFAA C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 241170980 KDGBICMJRTVNAC-WBVHZDCISA-N 344.455 2.853 0 50 EFAA Cc1cc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)nc(-c2cccnc2)n1 241383298 MUBSARASVQZCST-DNVCBOLYSA-N 340.427 2.621 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccnc(-n2ccnc2)c1 171006679 UGCJJIJEBQLXMT-QAPCUYQASA-N 348.406 2.870 0 50 EFAA CO[C@H](CNC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 171464681 ZHOTXSUMJIQGIL-DLBZAZTESA-N 328.416 2.654 0 50 EFAA O=S(=O)(c1ccc(Cl)c2nonc12)N1CCc2ccccc2C1 17072638 KHDNEJCTUOMVLB-UHFFFAOYSA-N 349.799 2.623 0 50 EFAA COc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1Cl 42159352 MWAVYZRQKYEAFK-UHFFFAOYSA-N 344.820 2.774 0 50 EFAA CC(=O)c1ccccc1C(=O)N1CCC(CCN2CCCC2=O)CC1 85479241 UHKSATHYSOMMGP-UHFFFAOYSA-N 342.439 2.754 0 50 EFAA CCn1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)n1 20608145 VUMUGOJOZZQVIA-UHFFFAOYSA-N 329.425 2.877 0 50 EFAA CC(C)(CNC(=O)[C@H]1CCc2[nH]nnc2C1)Cc1cccc(Cl)c1 285824075 PAVNFLJNRXHVIS-ZDUSSCGKSA-N 346.862 2.948 0 50 EFAA CCCN1CCC(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)CC1 95372389 DIQWFBYKGDCJLC-MRXNPFEDSA-N 334.464 2.944 0 50 EFAA C[C@H](C(=O)NCCSc1ccccn1)N1CCc2ccccc2C1 95384265 DMYYZWUCUOZOQV-OAHLLOKOSA-N 341.480 2.737 0 50 EFAA COc1cccc([C@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2N)c1 91943318 JHAWMGIPKIHCSF-MJGOQNOKSA-N 342.414 2.720 0 50 EFAA Cc1ccnn1Cc1nc(C2CCOCC2)nn1-c1cccc(F)c1 96163430 FMYUWINXYXQMOZ-UHFFFAOYSA-N 341.390 2.854 0 50 EFAA CC(C)c1nccc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)n1 244763895 OXHDUQMOWBIFDN-JFIYKMOQSA-N 339.439 2.712 0 50 EFAA COc1coc(CN2CCCC[C@@H]2CCn2ccnc2C)cc1=O 252494892 OHLUQPWGXXDGEN-OAHLLOKOSA-N 331.416 2.598 0 50 EFAA C[C@H](CNC(=O)N1CCC(OCc2ccccc2)CC1)N1CCCC1 534634199 XJBMWVNMIVPNSA-QGZVFWFLSA-N 345.487 2.862 0 50 EFAA Cc1ncsc1CCN(C)C[C@@H]1CC(=O)N(c2ccccc2)C1 299799752 RSQRJORFHMSGOF-HNNXBMFYSA-N 329.469 2.979 0 50 EFAA Cc1cnn(CCC(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c1 670473493 LRMRERXAJULSLO-UHFFFAOYSA-N 345.834 2.860 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1nn(C)cc1OC 1412679736 QEMNLYHAAVVDJB-YPMHNXCESA-N 335.379 2.603 0 50 EFAA CCn1c(SC[C@H](C)CN2CCOCC2)nnc1-c1ccco1 1421316871 NZMNAKAARNPSTR-CYBMUJFWSA-N 336.461 2.618 0 50 EFAA Cn1ccc2c(C(=O)N[C@H]3CCOC[C@@H]3OCC3CCC3)cccc21 1565526616 NWJDSNXQOVGDNZ-HKUYNNGSSA-N 342.439 2.882 0 50 EFAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 269190251 MGMKHMVCVBWAKN-OAGGEKHMSA-N 330.428 2.639 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)O)C3)c(C)o2)cc1 165527675 ZGTOTJRKPAQTJZ-ZDUSSCGKSA-N 344.367 2.595 0 50 EFAA COc1cc(NC(=O)[C@@H]2C[C@H]2C(=O)O)c(Cl)cc1Br 659229722 ZCGVBNACLYAFGZ-PHDIDXHHSA-N 348.580 2.770 0 50 EFAA Cc1csc(CCCNC(=O)N2CC(C)(C)OC(C)(C)C2)n1 187956045 PDYSRBKNIRUBRZ-UHFFFAOYSA-N 325.478 2.983 0 50 EFAA Cn1cccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 668319789 GHXCUBXSFMYWDC-KRWDZBQOSA-N 346.452 2.568 0 50 EFAA CCc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c(O)c1 188555219 CTXOYLOKRKEUQX-AWEZNQCLSA-N 327.380 2.867 0 50 EFAA Cc1ccc(Cl)cc1CNC(=O)N1CCC[C@H](n2cncn2)C1 190537042 CDUHYRDECPJKHK-HNNXBMFYSA-N 333.823 2.787 0 50 EFAA Cc1cc(S(=O)(=O)N(C)CCc2ccccn2)sc1Cl 191822252 BDPKQBJNDVPVAF-UHFFFAOYSA-N 330.862 2.968 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 663030790 XTYKMSHRNYVRBE-FXAWDEMLSA-N 339.391 2.650 0 50 EFAA Cc1c(Cl)cccc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 195361302 XHNAOCLEWDZBHN-ZDUSSCGKSA-N 330.819 2.837 0 50 EFAA O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)c1ccc(F)cc1 754158820 ULMMSFQIDMGFFJ-UHFFFAOYSA-N 344.317 2.913 0 50 EFAA CO[C@@H](C(=O)Nc1c(N2CCCC2)nn(C)c1C)c1ccccc1 1506418947 VDJVDFPIAPXCFH-MRXNPFEDSA-N 328.416 2.655 0 50 EFAA O=C(O)c1coc(N2CCC([C@H](O)CCc3ccccc3)CC2)n1 1529152087 OUMDOXNOZKXNCF-MRXNPFEDSA-N 330.384 2.583 0 50 EFAA CC(C)c1nc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cs1 1529120343 XFKIYYDSNBMVBI-HZPDHXFCSA-N 346.452 2.841 0 50 EFAA CC1=CC[C@H]2CN(C(=O)c3cc(-c4cnn(C)c4C)on3)C[C@H]2C1 214930289 LCTPOCIAWGEPDM-UONOGXRCSA-N 326.400 2.812 0 50 EFAA O=C(c1ccnc(N[C@@H]2c3ccccc3C[C@H]2O)c1)N1CCCCC1 1704356458 XJXDYZAYANKVCP-IEBWSBKVSA-N 337.423 2.778 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3cccc4ncccc34)C[C@@H]12 1704302412 JWXRAUGJEVUCQQ-WOJBJXKFSA-N 325.456 2.513 0 50 EFAA COC(=O)c1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OC)c1C 434023 OHQPNSGEGDASHD-VOTSOKGWSA-N 349.364 2.875 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)CC1CC1 11842349 LFILKKCMTHLOBF-QGZVFWFLSA-N 338.411 2.602 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 12138271 HFTMTULDVXNZEW-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccon2)CC1 12459514 NSZOKRWOMKFSEJ-UHFFFAOYSA-N 331.420 2.693 0 50 EFAA Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)c1ccn2nccc2c1 1857717857 BNDZBYWCASJWLP-LBPRGKRZSA-N 340.358 2.539 0 50 EFAA CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1c(C)nn(C)c1C 230129459 VECLUEIDBOJFEP-JONQDZQNSA-N 334.464 2.745 0 50 EFAA CCc1c(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cnn1CC(C)C 120281726 KOEOYDPXUWQTQW-ROUUACIJSA-N 342.443 2.881 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCc1ccc(Br)cc1 237472118 BIEASKKHIUZRMX-RISCZKNCSA-N 325.250 2.720 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 237616309 JJAHSUXKKIRKQJ-VIFPVBQESA-N 341.360 2.807 0 50 EFAA O=C(O)Cc1ccccc1NC(=O)C[C@H]1OCCc2ccccc21 238077812 VTIPYYWVSVGNIS-QGZVFWFLSA-N 325.364 2.956 0 50 EFAA CCCn1ccnc1CN1C[C@H](c2cccc(OC)c2)[C@@H](C(=O)O)C1 247990703 KHAJEZFNCDASBS-SJORKVTESA-N 343.427 2.602 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)NCC(F)(F)c1cccc(F)c1 666309661 SWGCSSPYWTXBHO-UHFFFAOYSA-N 339.317 2.746 0 50 EFAA C[C@H](NC(=O)c1csc2cncn12)[C@@H]1OCCc2sccc21 816722588 BBCIHIMLONTVDY-XPTSAGLGSA-N 333.438 2.890 0 50 EFAA COc1cccc2c1C[C@@H](NC(=O)C13CCC(C(=O)O)(CC1)CC3)C2 1875270869 RHSDTTRGJTYOPN-JAGHRAMZSA-N 343.423 2.704 0 50 EFAA CCC[C@@H](CCc1ccccc1)C(=O)N[C@H](C)CS(C)(=O)=O 1875290005 FIRDDJNVOSEKQH-ZBFHGGJFSA-N 325.474 2.585 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2ncc(C[C@@H]3CCCO3)s2)c1 1875277558 QPFZGVCWDLGXAC-ZDUSSCGKSA-N 346.408 2.744 0 50 EFAA COc1cccc2c(N(C)C[C@H]3COc4ccccc4O3)ncnc12 1875332989 UFRYFQBNKGNPNA-ZDUSSCGKSA-N 337.379 2.915 0 50 EFAA C[C@H](Cn1cc(-c2ccccc2C=O)nn1)NC(=O)OC(C)(C)C 1875367296 OXWXJLRZXOLFBT-GFCCVEGCSA-N 330.388 2.671 0 50 EFAA COc1cccc([C@@H]2C[C@H]2NC(=O)N=c2ccn([C@@H]3CC3(F)F)[nH]2)c1 1875392399 QOHPSIRTOKHRHZ-BFHYXJOUSA-N 348.353 2.571 0 50 EFAA COC1(OC)CC2(CN(Cc3c4c(nn3C)CCCC4)[C@H]2C(C)C)C1 877871901 WWONUEXNKHSIGE-SFHVURJKSA-N 347.503 2.908 0 50 EFAA CCOC(=O)c1[nH]nc(NC(=O)[C@H](C)c2cccc(OC)c2)c1C 888130987 QCNNMCOFENTKPS-SNVBAGLBSA-N 331.372 2.646 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)n1 893919354 HEMHKMGBOMOKCU-STQMWFEESA-N 346.456 2.540 0 50 EFAA O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@H]1CCN(Cc2ccccc2)C1 1774384216 OGJFLRPEMNGNBR-LBPRGKRZSA-N 338.333 2.889 0 50 EFAA CC[C@H](NC[C@@](C)(O)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1775994774 CAZVFLLVBOLUCP-DHSIGJKJSA-N 326.481 2.773 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C)cc2)cc1 327571 JCOWJOWHBDUSLH-UHFFFAOYSA-N 332.425 2.522 0 50 EFAA O=C(NCc1cncc2c1CCC2)C1(Cc2ccccc2)CCNCC1 2325780303 WXEALXWSUWUDEA-UHFFFAOYSA-N 349.478 2.799 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2cccs2)cc1 28967 HYGCEMOQXAQYGA-AWEZNQCLSA-N 330.409 2.909 0 50 EFAA CCOC(=O)CN(C)c1nc(-c2ccc(OC)c(OC)c2)cs1 1058780 IQDGUGSIRWBCSD-UHFFFAOYSA-N 336.413 2.827 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2cc(O)ccc2OC)C1=O 2356135673 OJNHUSHCUNTWRZ-IBGZPJMESA-N 332.444 2.768 0 50 EFAA O=C1c2ccccc2S(=O)(=O)N1SC(Cl)(Cl)Cl 3086356 VZMQHMKQOKQYSA-UHFFFAOYSA-N 332.617 2.807 0 50 EFAA C[C@@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1 4942781 JLZLSAYURDVGSD-OCCSQVGLSA-N 330.359 2.669 0 50 EFAA COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC(C)CC2)C1=O 4978156 HMDBKWUIBHBEQE-AWEZNQCLSA-N 336.819 2.712 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(C)c(C)c1 6699135 HNTZTUQQUJDFMY-LBPRGKRZSA-N 334.445 2.632 0 50 EFAA Nc1ncnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1Cl 225520281 DHHAZLFOBBWGSZ-SSDOTTSWSA-N 346.744 2.838 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 55271230 DPTOFSOUNQXMIG-HXUWFJFHSA-N 345.487 2.579 0 50 EFAA O=C1CN(Cc2ccc(Oc3cnccn3)cc2)[C@@H]2CCCC[C@H]2N1 245553241 FHQRPFYZTVIBMK-IAGOWNOFSA-N 338.411 2.512 0 50 EFAA C[C@@H](NC(=O)CCN1CCC[C@H]1Cn1cccn1)c1ccccc1 248376705 DJPAQOHGBIEJGS-AEFFLSMTSA-N 326.444 2.615 0 50 EFAA COC[C@H]1CCCCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 342595244 WMPBDNBPTOMNLH-ZBFHGGJFSA-N 332.444 2.965 0 50 EFAA C[C@@H](CC(=O)N1CCCN(c2ccccc2)CC1)[C@H]1CCCNC1 246247102 JLNIPHIZEMNVFC-ROUUACIJSA-N 329.488 2.751 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCN(Cc3c[nH]c(C)n3)C2)cc1 67956129 RYWKLQOOASUWGC-HNNXBMFYSA-N 327.432 2.670 0 50 EFAA C[C@](O)(CNC(=O)N[C@H]1C[C@H]1c1ccccc1F)c1ccsc1 110614911 IUUBTUYJZUYMMY-QRTARXTBSA-N 334.416 2.950 0 50 EFAA O=C(CCc1ccncc1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 69396758 KJDXCEKGNWZAJK-INIZCTEOSA-N 327.403 2.796 0 50 EFAA Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccncn3)C2)cc1C 67879010 SOOIBDFFMQJYHY-GOSISDBHSA-N 338.455 2.735 0 50 EFAA CNc1ccc(C(=O)NC[C@H]2CCN(CCC(F)(F)F)C2)cc1 67783668 MWORUYZEJLEOKC-GFCCVEGCSA-N 329.366 2.732 0 50 EFAA C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(C(C)(C)C)s1 122666428 YHLQQEOXAWYGJR-RYUDHWBXSA-N 347.502 2.518 0 50 EFAA CCN1C[C@H](C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)CC1=O 230167627 PQWKWDUYBKGEFI-SYNHAJSKSA-N 326.440 2.783 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 219965027 VHJVZFVJQIYFJD-LBPRGKRZSA-N 343.406 2.942 0 50 EFAA CC[C@@H]1Oc2cc([C@H](C)NCc3ncnn3C(C)C)ccc2NC1=O 253430611 FLELBLJFYXUVBT-WFASDCNBSA-N 343.431 2.819 0 50 EFAA Cc1nn(C(C)C)cc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1 253431841 VADSFRCMXWPCRM-ROUUACIJSA-N 331.464 2.594 0 50 EFAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-c2cnco2)cc1 77321006 NNYNEMBPROMEAR-MRXNPFEDSA-N 342.395 2.800 0 50 EFAA COc1ccc(OC)c2c1CN(c1nnc(C(C)C)s1)C[C@H]2O 153060402 JXLLWSNTSYIWSK-LLVKDONJSA-N 335.429 2.732 0 50 EFAA COc1ccccc1CCC(=O)N1CCCC[C@@H]1CN1CCCC1=O 360938519 BFFVENGFGLRPNH-QGZVFWFLSA-N 344.455 2.631 0 50 EFAA COc1cc(CCNC(=O)c2cncc(F)c2)ccc1OC(F)F 170662996 DHIWWOJCZVMJLD-UHFFFAOYSA-N 340.301 2.803 0 50 EFAA O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCOC2(CCC2)C1 154147677 SOSMMPFLMWJIAM-CYBMUJFWSA-N 346.254 2.988 0 50 EFAA O=C(CCc1cccc2c1OCO2)N1CC[C@@H](O)c2ccccc2C1 364265576 AEXGPCSGNGBGKW-QGZVFWFLSA-N 339.391 2.814 0 50 EFAA CCc1n[nH]cc1C(=O)N1CCC(Oc2ccccc2OC)CC1 72407385 WWLVBHBETYUQIE-UHFFFAOYSA-N 329.400 2.664 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cccc(C(N)=O)n1 125608847 HIBABPQQTBHOMF-ZDUSSCGKSA-N 342.399 2.917 0 50 EFAA Cc1cc(NCc2noc(Cc3cccs3)n2)n2nc(C)cc2n1 72411020 GPQGEIQYFUNSLN-UHFFFAOYSA-N 340.412 2.994 0 50 EFAA Cc1nc(O)cc(C2CCN(Cc3c(C)nc4ccccn34)CC2)n1 72172861 SXGYPCSACVKTAR-UHFFFAOYSA-N 337.427 2.826 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C[C@H](O)c2ccccc2F)C1 375172477 VTIZWWQTMOHILV-KDOFPFPSSA-N 334.391 2.755 0 50 EFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n1 331547928 IYMDFPDLCCPHFU-OTWHNJEPSA-N 335.492 2.996 0 50 EFAA O=C(c1ccccc1-c1ccccc1)N1CCc2c(nc[nH]c2=O)C1 71745596 JSUKWGCOTAXZHR-UHFFFAOYSA-N 331.375 2.635 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2ccccc2[C@@H]2CCNC2)no1 72149756 BDNSJGOMLJIUTJ-CQSZACIVSA-N 327.428 2.880 0 50 EFAA C[C@@H](Oc1cccc(F)c1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 262770766 ABTCLEXHBDJWDM-DYVFJYSZSA-N 345.370 2.747 0 50 EFAA CCN(CC)CCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 71769285 VVSXGRXMUJXGIQ-UHFFFAOYSA-N 338.448 2.564 0 50 EFAA CC(C)COc1cccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1 449743941 CIFQJLZQCAIHAJ-QGZVFWFLSA-N 333.476 2.957 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@H]2CCc3ccccc32)C(=O)O)cc1F 263026083 MKPSKIJJDYBQPH-WMLDXEAASA-N 343.354 2.806 0 50 EFAA Cc1cccn2c(CNC(=O)c3n[nH]c(N)c3-c3ccccc3)cnc12 223240078 VEGKPERSUFQOSO-UHFFFAOYSA-N 346.394 2.545 0 50 EFAA O=C(CN1CCC[C@H](c2nccn2CC2CC2)C1)N1CCCCCC1 82108894 PIMCXXPHYIRKRV-SFHVURJKSA-N 344.503 2.875 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cccc3[nH]ncc23)c1 337529617 ZQDOHWYPXPVRIK-SCLBCKFNSA-N 337.379 2.520 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1F 82125919 VLEBLWORPZBKQD-UHFFFAOYSA-N 330.334 2.762 0 50 EFAA C[C@H](c1ccncn1)N(C)C(=O)C1CCN(Cc2ccco2)CC1 220145016 IYYKDAKMTAOLGZ-CQSZACIVSA-N 328.416 2.501 0 50 EFAA COc1ccnc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 426647877 FFROXQUBTXUKDD-MRXNPFEDSA-N 343.402 2.624 0 50 EFAA Cc1nc(NCc2ccccc2-n2ccnc2)cc(C2CC(O)C2)n1 223421449 DOVGDNKQATUCMK-UHFFFAOYSA-N 335.411 2.821 0 50 EFAA Cc1nc(CCC(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)n[nH]1 82086701 SNPRTCFPPIDOOU-INIZCTEOSA-N 342.443 2.765 0 50 EFAA COC[C@H]1CN(c2nc(-c3ccncc3)nc(C)c2C)CC(C)(C)O1 285057538 OMVIRJGXOHHPKL-MRXNPFEDSA-N 342.443 2.786 0 50 EFAA O=C(c1ccncc1)N1CCC(N[C@@H]2CCc3ccccc3C2)CC1 237916665 HANGKDDRQIURQW-HXUWFJFHSA-N 335.451 2.833 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NCCOc1ccccc1F 97775952 UFMPQFRSVLUXRX-UHFFFAOYSA-N 331.391 2.555 0 50 EFAA CCC[C@]1(CO)CCCN(Cc2cnc(-c3ccccn3)nc2)C1 91876848 VVVCUDHGNOAFQB-IBGZPJMESA-N 326.444 2.913 0 50 EFAA CCCc1cnc(C)nc1N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 92065648 NGRHOFOEYFPDFX-FQEVSTJZSA-N 342.487 2.966 0 50 EFAA Cn1cnc2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccnc21 288424773 NUAPEKGJPYHQIR-OAHLLOKOSA-N 335.411 2.685 0 50 EFAA Fc1cccc(-n2cc(CN3CCO[C@@H](c4cccnc4)C3)cn2)c1 97088117 ORPVEBDRTBQTOT-LJQANCHMSA-N 338.386 2.980 0 50 EFAA CNc1nc(C[C@@H]2COc3cc(OC)ccc3C2)nc2c1CCC2 95366531 ZLPHTPSCBZCIOF-GFCCVEGCSA-N 325.412 2.809 0 50 EFAA CN1C[C@H](NC(=O)Nc2ccc(-c3cccc(F)c3)cc2)C[C@H]1CO 97553158 ZPNIUZQDLGTRPE-MSOLQXFVSA-N 343.402 2.679 0 50 EFAA CCn1ncc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1C 97698878 CSIBGBSDTZNVDM-SFHVURJKSA-N 340.471 2.821 0 50 EFAA COc1c(F)ccc(F)c1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 291074130 BHFBPFUTVMVYLK-LJQANCHMSA-N 347.361 2.750 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)NCc1cccc(-c2ccccn2)c1 178720764 NGADZOHYXCHQHK-QGZVFWFLSA-N 346.452 2.737 0 50 EFAA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O 253399111 COXLVXQAEKWFTC-OLMNPRSZSA-N 346.471 2.580 0 50 EFAA biogenic Cc1nn(CC(F)(F)F)cc1C(=O)N(C)[C@H](CO)c1ccccc1 297217785 NPAGBGHPYJMINZ-CQSZACIVSA-N 341.333 2.559 0 50 EFAA COc1ccc(CN[C@@]2(CO)CCOC2)cc1OCc1ccccc1 184189037 IQLOWQLTOYVBTI-HXUWFJFHSA-N 343.423 2.515 0 50 EFAA CC(=O)c1ccc(N2CCN(CCc3c(C)n[nH]c3C)CC2)cc1 299800696 VFYWAYXLYLNODT-UHFFFAOYSA-N 326.444 2.594 0 50 EFAA CCc1nccn1CC1(CNC(=O)c2c(C)nc3sccn23)CC1 299765826 BWPCGQRCPRLRSX-UHFFFAOYSA-N 343.456 2.673 0 50 EFAA Cn1ccnc1-c1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)nn1 825641658 DYNRKIXZQDDRNK-GOEBONIOSA-N 326.448 2.554 0 50 EFAA CC(=O)N[C@H](c1nc(-c2ccco2)nn1-c1ccncc1)C(C)C 820575160 BWAXOSUVXYVAOC-HNNXBMFYSA-N 325.372 2.756 0 50 EFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1ccc2nc(O)[nH]c2c1 680227150 ULJIDSULFSCPIG-UHFFFAOYSA-N 347.378 2.897 0 50 EFAA CCc1c[nH]ccc1=NC(=O)c1cccc(C(=O)N2CCCCC2)c1 1349089721 LDXSHTUTLWBDPJ-UHFFFAOYSA-N 337.423 2.944 0 50 EFAA Cc1cncc(C(=O)NC[C@@H]2CCCN(c3ncccc3F)C2)c1 952991077 YAGFCEPXEJRAJS-AWEZNQCLSA-N 328.391 2.571 0 50 EFAA CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)NC 1470352729 KMYNWRRPFXKWDG-PMPSAXMXSA-N 338.496 2.696 0 50 EFAA COc1ncc(Cl)c(N2CCN(CCc3ccccc3)CC2)n1 301713770 ZCFOZFFAVPLQDU-UHFFFAOYSA-N 332.835 2.503 0 50 EFAA C[C@@H]1C[C@H](CCNC(=O)c2ccc(Br)cn2)CCO1 273440614 BTTSPYJEGTWAPT-GHMZBOCLSA-N 327.222 2.779 0 50 EFAA CCc1nc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c2ccsc2n1 275516705 MVYZFSBCYXAVBF-LBPRGKRZSA-N 334.489 2.535 0 50 EFAA C[C@@H]1CN(c2ccccc2CN2CCCc3n[nH]cc3C2)CCO1 668840743 DSZPUISQCYECMD-OAHLLOKOSA-N 326.444 2.583 0 50 EFAA COc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c2ccccc2n1 669016049 HBVQNXQZKQLFAY-QGZVFWFLSA-N 327.428 2.656 0 50 EFAA O=C(O)[C@@H](C1CC1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 635017481 UAFWGNVCXVUIGE-ZIAGYGMSSA-N 327.327 2.525 0 50 EFAA CCn1cc(CNC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)nn1 661717656 GNJCWUIZDDILFF-BLLLJJGKSA-N 331.395 2.730 0 50 EFAA COC(=O)CCN(Cc1ccncc1)c1ncnc2c(F)cccc12 192347535 RXJHIFYFFLMBLA-UHFFFAOYSA-N 340.358 2.734 0 50 EFAA Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccncc3C)C2=O)cc1 192387745 RRWCENFMVNNLCU-KRWDZBQOSA-N 338.411 2.621 0 50 EFAA CN(Cc1ccccc1)C[C@H](O)COc1cccc2c1OCCC2 647614476 ZWTPYNHJRYGNCW-SFHVURJKSA-N 327.424 2.883 0 50 EFAA O=C(NCc1cnn2ccccc12)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664876623 DVDAQFMVOJPUIT-KBAYOESNSA-N 336.370 2.611 0 50 EFAA CC[C@H](NC(=O)c1cccc(CC(=O)O)c1)c1c(C)nn(C)c1C 653641713 URACVRDHZMUVEI-HNNXBMFYSA-N 329.400 2.545 0 50 EFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)c1nc(N)nc2c1CCCC2 1506426943 KFVLVRDPTSXOFE-NSHDSACASA-N 340.402 2.836 0 50 EFAA COCCN1CCC(C(=O)Nc2nc3c(F)cccc3s2)CC1 1506408240 WJMCCUIFCINYAL-UHFFFAOYSA-N 337.420 2.732 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)CCc2n[nH]c3c2CCCC3)on1 1506407365 RDQQOFUKXNMDKL-MRXNPFEDSA-N 328.416 2.881 0 50 EFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCC2(CCN(C)CC2)C1 1529191163 TWQHXSIHNVZRHJ-QGZVFWFLSA-N 332.444 2.547 0 50 EFAA CC(C)(C)CN1CCC[C@@]2(CCN(CCCn3cccn3)C2)C1=O 11813636 ZKILPIVRMYIZQP-IBGZPJMESA-N 332.492 2.634 0 50 EFAA CC(C)CCC(=O)N1CCOc2ccc([C@@](C)(O)CN(C)C)cc2C1 12201794 MIYGESWTSZEVIS-FQEVSTJZSA-N 348.487 2.613 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 12404409 KHWIXYMHHXMSET-UHFFFAOYSA-N 330.359 2.844 0 50 EFAA O=C(CCN1CCCCO1)N1CCO[C@@H](CCCc2ccccc2)C1 12758969 RGWXHROFMIEWEU-IBGZPJMESA-N 346.471 2.654 0 50 EFAA CC(C)CN1C(=O)N(C)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14537568 IODJZAYDSBSEGQ-GQCTYLIASA-N 345.443 2.677 0 50 EFAA O=C(COc1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1 16604563 OINDIJOKLTXWPR-UHFFFAOYSA-N 342.414 2.591 0 50 EFAA c1ccc(-c2cn(C[C@H]3CCCN(C4CCSCC4)C3)nn2)nc1 19853670 AEBOMXDXRJREDA-HNNXBMFYSA-N 343.500 2.948 0 50 EFAA COC(=O)[C@]1(c2ccccc2)CCN(c2ncnc3ccc(C)nc23)C1 1857695365 GPPSZCBBCDPQJH-HXUWFJFHSA-N 348.406 2.654 0 50 EFAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]2CO1 1857712007 CTWVMDYFZKIPHX-BEVDRBHNSA-N 336.435 2.945 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N=c1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 329245213 AASPJVSSGHFYEZ-SGMGOOAPSA-N 335.411 2.793 0 50 EFAA c1cc(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccn1 124980805 CUUVZYSXIXRRJS-KRWDZBQOSA-N 325.460 2.822 0 50 EFAA COc1ccc(CN2CCCN(c3nnc(C4CC4)o3)CC2)cc1 333413360 GWCPGJIAXWNKCO-UHFFFAOYSA-N 328.416 2.668 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 237655190 KLDBWDHOTGWEFD-MRXNPFEDSA-N 334.759 2.932 0 50 EFAA COCc1cccc(CN2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)c1 344249866 TUDPLTCQLFNACT-HOTGVXAUSA-N 344.377 2.864 0 50 EFAA O=C(Cn1cc(C(=O)O)c2ccccc21)Nc1cccc2c[nH]nc12 1119591236 LBFLESAASMOCHU-UHFFFAOYSA-N 334.335 2.855 0 50 EFAA COC(=O)c1sc(C2(C(=O)OC(C)(C)C)CCOCC2)nc1C 864097049 MENJKSYZXKAFKZ-UHFFFAOYSA-N 341.429 2.628 0 50 EFAA CCCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 952883709 OUOKIEYMUVWPPD-LJQANCHMSA-N 332.444 2.539 0 50 EFAA CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H](O)CF 1875287200 YJPMSUUGIJOHPF-HNNXBMFYSA-N 345.340 2.712 0 50 EFAA Cc1c([C@H](C)NC(=O)C2(C(=O)O)CC=CC2)cnn1-c1ccccc1 1875267352 ZRHVCJVRSHGESP-ZDUSSCGKSA-N 339.395 2.779 0 50 EFAA OC[C@@H](Nc1ccc(C(F)(F)F)nn1)[C@@H](O)c1ccc(Cl)cc1 882648700 GRNBZEFUWPQGOK-MFKMUULPSA-N 347.724 2.655 0 50 EFAA CC1=CC[C@@H](NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)CC1 886089133 ZKOURPOVIARGTG-MDZRGWNJSA-N 342.487 2.951 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cc(O)nc2cc(F)ccc12 889017133 LJWMSAODFSUMST-ZBFHGGJFSA-N 340.358 2.800 0 50 EFAA Cc1ccccc1[C@@H](CN(C)C)NC(=O)CCCn1ccnc1C 1775999719 VGLSOWLTCNLYNJ-GOSISDBHSA-N 328.460 2.699 0 50 EFAA Nc1nc(Br)c(Br)cc1Br 39933110 QXPFSKGRHXJUEZ-UHFFFAOYSA-N 330.805 2.951 0 50 EFAA in-vitro COc1ccc(Cl)cc1C(=O)Nc1cnn(CCCC(=O)O)c1 4408055 IRFCMAFGPAKGOE-UHFFFAOYSA-N 337.763 2.662 0 50 EFAA CC[C@H](C)N1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 2325766709 WUSPOMXPFUKLQI-SWLSCSKDSA-N 337.489 2.987 0 50 EFAA COC1(CCN2C(=O)CCN(C[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)C2=O)CCC1 2325779796 CZNLOAWDAKWSGI-VGWMRTNUSA-N 334.460 2.892 0 50 EFAA CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(c2cc(C)no2)CC1 2325818195 GJEOGDKORVOALB-HOCLYGCPSA-N 347.459 2.774 0 50 EFAA COc1c2ccoc2nc2c(OC)c(OC[C@@H](O)C(C)(C)O)ccc12 35526 FGANMDNHTVJAHL-CYBMUJFWSA-N 347.367 2.509 0 50 EFAA biogenic,in-vitro COc1cccc(-c2nnc(SCC(=O)N3CCCCC3)o2)c1 417701 PNUPOAKZBMVMNM-UHFFFAOYSA-N 333.413 2.850 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 2890205 ZWSOCKXQUQHTFL-UHFFFAOYSA-N 335.381 2.893 0 50 EFAA O=C(CCCn1cncn1)Nc1n[nH]c2c(C(F)(F)F)cccc12 2356163023 PMZOSTHSOSFIDF-UHFFFAOYSA-N 338.293 2.592 0 50 EFAA Cc1cc(NC(=O)CCn2cnnc2)n(Cc2cccc(Cl)c2)n1 2356167652 XBHSMOYNBQGHSB-UHFFFAOYSA-N 344.806 2.514 0 50 EFAA Nc1c([N+](=O)[O-])cc(F)c(N2CCSCC2)c1Br 4406277 NJAWGGRZZMHBMQ-UHFFFAOYSA-N 336.186 2.632 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccs1 4855591 XAVIRFWZVYIXKV-LBPRGKRZSA-N 330.409 2.909 0 50 EFAA CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccccc1 4857794 FJKWKJHXTQJVGI-UHFFFAOYSA-N 332.425 2.644 0 50 EFAA Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1NS(C)(=O)=O 10112476 KAJGIQMBDYUYEE-ZDUSSCGKSA-N 344.436 2.958 0 50 EFAA O=C(c1cccc2c1OCCO2)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225541001 NHZQFIXILWQXMI-HOCLYGCPSA-N 343.354 2.545 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2cc(OC)ncc2F)cn1 414252693 SSDJJXMDYYBCSG-ZJNRKIDTSA-N 348.422 2.874 0 50 EFAA Nc1ccnc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 135165474 VUDWNGYDZXFLGH-LBPRGKRZSA-N 329.473 2.774 0 50 EFAA COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(C(F)(F)F)cc1 132971549 HWCUIGOCARLONJ-LBPRGKRZSA-N 347.358 2.826 0 50 EFAA O=C(O)c1cccnc1CN1CCC[C@H](Oc2ccc(F)cc2)C1 65404381 HZOKNDSKQNWBMN-HNNXBMFYSA-N 330.359 2.962 0 50 EFAA OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccsc1 23373851 KZSRMSRSQOXREH-IBGZPJMESA-N 330.497 2.859 0 50 EFAA O=C(c1ccccc1OC(F)F)N1CCC[C@H](N2CCCC2=O)C1 111064667 SDOSFYUBSZHWJZ-LBPRGKRZSA-N 338.354 2.515 0 50 EFAA Cc1nc(CCN)cc(N[C@@H](C)c2nc(-c3ccccc3C)no2)n1 67679365 WPGVAJULXUBLNC-LBPRGKRZSA-N 338.415 2.818 0 50 EFAA c1ccc(-c2ccccc2OCCNCCN2CCOCC2)cc1 20500004 MNGQTLOVHWCJEW-UHFFFAOYSA-N 326.440 2.654 0 50 EFAA O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccccc1Cl 20508051 ZKASNSJDCKWVMW-UHFFFAOYSA-N 333.819 2.689 0 50 EFAA Cc1cnc2c(C(=O)N(C)Cc3cn[nH]c3-c3ccccc3)cnn2c1 67694711 PKWGXIKEXSRDLY-UHFFFAOYSA-N 346.394 2.700 0 50 EFAA C[C@H](CN(C)Cc1nc(Cc2cccc(F)c2)no1)CN1CCCC1 20540932 SFZPOSOVTMZGAA-OAHLLOKOSA-N 346.450 2.963 0 50 EFAA O=C(NCCc1ncc(-c2ccccc2)[nH]1)C12CCCN(CCC1)C2 1363454730 ZRNORBFADFDAHW-UHFFFAOYSA-N 338.455 2.611 0 50 EFAA COCCc1nc(CN[C@@H](C)c2ccc(OC(C)C)c(OC)c2)no1 351572597 FKUBLPGZWPLHGO-ZDUSSCGKSA-N 349.431 2.905 0 50 EFAA OCCNc1nc(Cl)nc(Nc2nc(-c3ccccc3)cs2)n1 2186856 ZGQBLFYWEIXOIU-UHFFFAOYSA-N 348.819 2.796 0 50 EFAA O=C(O[C@@H]1CCOC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623087 QCUYTEPFIQTUDC-SNVBAGLBSA-N 328.246 2.701 0 50 EFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 39442643 OSLUDAADFJBICF-HXUWFJFHSA-N 340.467 2.764 0 50 EFAA C(=C/c1nc(-c2ccc(Cn3cncn3)cc2)no1)\c1cccnc1 355787891 FUPZWCLIVVGGRC-VMPITWQZSA-N 330.351 2.942 0 50 EFAA CCCc1csc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)n1 122364671 JHRZEFMTJDXSAX-UHFFFAOYSA-N 336.461 2.572 0 50 EFAA O=C(NCC1(N2CCOCC2)CC1)N1CCC[C@@H]1c1cccc(F)c1 253433616 ZLJQEKHOLJXXDP-QGZVFWFLSA-N 347.434 2.537 0 50 EFAA COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccccc1C 362196603 CRMQGYUGHQQEPH-UHFFFAOYSA-N 349.408 2.822 0 50 EFAA O=C(O)Cc1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 357878803 CPOVSMKRFRPRNM-UHFFFAOYSA-N 342.376 2.663 0 50 EFAA O=C(NC1CC1)c1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1 361215389 YSKQKSMXJSMVOJ-UHFFFAOYSA-N 338.382 2.958 0 50 EFAA CC(C)c1ccc(CC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 72147168 SKDUGEGTSLKYLT-LJQANCHMSA-N 330.428 2.796 0 50 EFAA O=C(NCCC(=O)N1CCC[C@H]1C1CC1)N1CCc2ccccc2C1 363404572 NALITAXXUFKCQF-SFHVURJKSA-N 341.455 2.545 0 50 EFAA CC(=O)c1ccc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)nc1 77471306 QTMPKWNQKDTEGW-IBGZPJMESA-N 329.444 2.902 0 50 EFAA CCN(C)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 216302212 REULTHGJKKAWDG-LJQANCHMSA-N 349.494 2.836 0 50 EFAA CN1CCC(N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)CC1 71750704 DMDWIRRCQVMVGW-IBGZPJMESA-N 343.515 2.542 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2cccc(Br)n2)CC1 34951956 CQSAPHUUCUUHNS-UHFFFAOYSA-N 342.237 2.901 0 50 EFAA CN1CCC2(CC1)CCN(c1nc(C(C)(C)C)nc3c1cnn3C)C2 72148225 MRPCWWSYYHOBNC-UHFFFAOYSA-N 342.491 2.583 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCc3ccccc3[C@H]2CO)n1 332107420 DQIBZYOBUPTWQV-CRAIPNDOSA-N 327.428 2.569 0 50 EFAA Cc1cccc(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1F 444775355 IAZULLKIWOMLOJ-UHFFFAOYSA-N 338.386 2.902 0 50 EFAA Cc1cc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)cc(C)c1F 263179453 WVRJUKCFWREQMV-KRWDZBQOSA-N 343.354 2.933 0 50 EFAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCCCc1ccccn1 222315377 KCALPCDWPWXNQN-UHFFFAOYSA-N 346.814 2.798 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CCCOC1 239527581 ATFROERFQJPKEN-BHIYHBOVSA-N 345.487 2.575 0 50 EFAA CC(C)n1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)n1 240551542 GUNLPXDGFFSTGY-MRXNPFEDSA-N 341.390 2.856 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C)c2cnccn2)C1 225718864 WBYZORUJUFCYPI-CABCVRRESA-N 331.489 2.756 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCC[C@H]1CCCCO1 426491579 SZEITULDDMODQL-CQSZACIVSA-N 334.464 2.779 0 50 EFAA O=C(c1ccsc1)N1CCCN(C(=O)c2ccc(Cl)cn2)CC1 172509567 RTYXGALPFFVIFG-UHFFFAOYSA-N 349.843 2.785 0 50 EFAA CCS(=O)(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 223943047 AUWUQXCFQYOALL-QGZVFWFLSA-N 342.480 2.708 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1c(F)cccc1Cl 284453802 DBHYNYMCSVKVGE-QMTHXVAHSA-N 337.782 2.607 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)n1 426563418 SFODGUKDSJHPNV-HNNXBMFYSA-N 338.411 2.829 0 50 EFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(C)nn1C 174905958 RLFIXLFRTCDSCH-UHFFFAOYSA-N 341.459 2.502 0 50 EFAA COC[C@H]1CN(C(=O)C(C)(C)c2ccccc2OC)CC(C)(C)O1 285669367 ZAQWCBFZWHENFU-CQSZACIVSA-N 335.444 2.625 0 50 EFAA Cn1ccnc1C1CCN(C(=O)C2CCN(C3CCCC3)CC2)CC1 97505876 RRPKZMZNRQCWKO-UHFFFAOYSA-N 344.503 2.781 0 50 EFAA Cc1ncn(CC(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)c1C 95366251 QBSJJKPICZATFR-KRWDZBQOSA-N 341.411 2.604 0 50 EFAA Cc1cc(C)n(CCCN(C)C(=O)[C@@H]2COc3ccccc3C2)n1 91440139 GVOCWQONJJDRJZ-KRWDZBQOSA-N 327.428 2.600 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1CCCCCN1C 95367278 FRZQUVKWRDTGLP-SFHVURJKSA-N 340.471 2.764 0 50 EFAA Cc1nc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)no1 92096996 RRNQMVXVDWNIFJ-UHFFFAOYSA-N 326.400 2.986 0 50 EFAA CCc1nc(C)c(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]32)o1 97528072 UIBCGZZREPEKCV-MRXNPFEDSA-N 325.368 2.546 0 50 EFAA CSc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91390843 ZJIOHEQFQCCHOX-HZPDHXFCSA-N 348.512 2.575 0 50 EFAA O=S(=O)(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)C1CC1 91476583 AFABIFJMVHQRIX-MRXNPFEDSA-N 329.425 2.603 0 50 EFAA Cc1cccc(CN(C)c2cc(N3CCC[C@@H](CO)C3)ncn2)c1C 292014928 ZSZMWGGTZORQAV-QGZVFWFLSA-N 340.471 2.939 0 50 EFAA Cc1nccn1CCCN1CC[C@]2(CC(=O)c3ccccc3O2)C1 252478172 AFDGSOPJLDPBJW-IBGZPJMESA-N 325.412 2.692 0 50 EFAA CN(C)CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 183841623 CQUXPAHUEUNQMB-ZDUSSCGKSA-N 329.213 2.813 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 299738669 FBJOPNYGTKUYRF-CHWSQXEVSA-N 332.835 2.725 0 50 EFAA CC[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CCC1)N1CCOCC1 299798074 USEUVPDDUYJIBL-INIZCTEOSA-N 336.863 2.946 0 50 EFAA CN(Cc1cnccn1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299779429 RSWCTYHWXVDSGO-OTWHNJEPSA-N 336.439 2.661 0 50 EFAA C[C@@H](C(=O)NCC1(N2CCOCC2)CCCCCC1)n1cccc1 584884859 UBXILXNRKZBDDG-KRWDZBQOSA-N 333.476 2.591 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C1CCN(C(=O)OC(C)C)CC1 670436135 PZWKQXOYCULSCO-UHFFFAOYSA-N 336.480 2.900 0 50 EFAA C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1nnc(N)s1 670474213 PETAUTVVBZVAHR-LLVKDONJSA-N 331.445 2.602 0 50 EFAA C[C@H](NS(=O)(=O)CC1CCCC1)c1nc(-c2ccccc2)no1 670434667 SHOXLOYJXSIHOL-LBPRGKRZSA-N 335.429 2.907 0 50 EFAA C[C@@]1(CNC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)CCOC1 685940788 VINIYWSCNNUESF-AEFFLSMTSA-N 332.444 2.616 0 50 EFAA CC(C)c1nc(CCNC(=O)c2ccc(-c3ccccc3)[nH]2)n(C)n1 1353963447 RHQIYTMULMJAAG-UHFFFAOYSA-N 337.427 2.906 0 50 EFAA COc1cccc(SCC(=O)N2CC(N3CCCC[C@H]3C)C2)c1 952964456 OFPRIZCLQXZEBX-CQSZACIVSA-N 334.485 2.873 0 50 EFAA C[C@@H](CNC(=O)N1CCOC[C@@H]1CC1CC1)N1CCc2ccccc21 1477694619 PDZPGVBRADMRDJ-YJBOKZPZSA-N 343.471 2.648 0 50 EFAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccnc2-n2cncn2)C1 184687716 XSIFWTIFSDJKOQ-BBRMVZONSA-N 349.398 2.672 0 50 EFAA Cc1cccc2c(N3CCN(CC(F)(F)C(F)F)CC3)ncnc12 301696935 BOYYJCLYQGPFQF-UHFFFAOYSA-N 342.340 2.961 0 50 EFAA Cn1cc([C@H](NC(=O)Nc2ccccn2)c2ccc(F)cc2)cn1 185653884 DCNLCGOIFQTTRR-MRXNPFEDSA-N 325.347 2.865 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2oc3ccccc3c2C)o1 275386400 PEXRMZWDZIZFQH-CYBMUJFWSA-N 327.340 2.646 0 50 EFAA Cc1cc(C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cnn1 276510992 KRIIMYACDMQRLP-KRWDZBQOSA-N 331.391 2.756 0 50 EFAA CCCS(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 186668838 LKVHSNLNRVQYKY-UHFFFAOYSA-N 339.442 2.920 0 50 EFAA CC1(C)COC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)OC1 169975702 RJZHHFQBSXYXSW-UHFFFAOYSA-N 329.400 2.568 0 50 EFAA CC(C)[C@H](O)[C@H](NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 658286622 BFWFDFDTUNEVLB-ZCNNSNEGSA-N 332.488 2.588 0 50 EFAA Cn1ccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1=O 640209110 AGKKOVFGVPXNGB-WMLDXEAASA-N 341.411 2.675 0 50 EFAA C[C@H](c1nnnn1C1CC1)N1CCC(COc2ccccc2)CC1 191960066 MSHSXSZGPHQGJD-CQSZACIVSA-N 327.432 2.860 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)c1ncccc1Br 193448959 BHSGFVLYJQMSJI-LBPRGKRZSA-N 349.232 2.654 0 50 EFAA Cc1nnc(C[S@@](=O)c2cccc(Br)c2)n1C1CC1 194533069 DIFIFYOEOLPUHN-LJQANCHMSA-N 340.246 2.992 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(Cl)cc1 194644924 IHCUDFOKSZWVNW-GDBMZVCRSA-N 326.824 2.584 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)O)C2)nn1-c1ccccc1 669501951 IAOMCWZLEUIZLS-AWEZNQCLSA-N 342.399 2.899 0 50 EFAA CC(=O)N1c2ccccc2C[C@H]1c1nc(CC2CCOCC2)no1 761979174 XUWRLKSSKXVXRJ-INIZCTEOSA-N 327.384 2.689 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N(C)Cc2ncon2)c1C 1506420183 XJABAXQQPAWIOW-UHFFFAOYSA-N 337.445 2.805 0 50 EFAA Cn1nccc1CCc1nc(-c2cccc(F)c2)nn1[C@H]1CCOC1 1772803932 AXLCRQKCTBYIJL-INIZCTEOSA-N 341.390 2.564 0 50 EFAA COCc1nnc(NCC2CCN(CCc3ccccc3)CC2)o1 1772711879 LABAAKCHSNMOPE-UHFFFAOYSA-N 330.432 2.583 0 50 EFAA OC[C@H](O)C1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1 1772809682 CKHBBYYCRLWWJP-HNNXBMFYSA-N 340.345 2.823 0 50 EFAA O[C@@H]1C[C@@H]2CN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@@H]2C1 1775980531 CLQQOMKXJUITAV-SCAQPMJSSA-N 329.831 3.000 0 50 EFAA CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 5059552 BUIKFTLVHSBYAQ-MRXNPFEDSA-N 331.416 2.597 0 50 EFAA CC(=O)N1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 12391080 MVPJSMBTBBQYAL-UHFFFAOYSA-N 347.415 2.562 0 50 EFAA CCCC[C@H]1CN(CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 14887451 YQTQFULRFZQOOT-MSOLQXFVSA-N 346.471 2.593 0 50 EFAA COc1cccc2ccc(CN3CCN(c4cccnc4)CC3)nc12 19744210 HBCVHMABMXEHLL-UHFFFAOYSA-N 334.423 2.961 0 50 EFAA CC(C)OCCN1CCC(N[C@H](C)c2ccc3c(c2)OCO3)CC1 158057650 WFKFJGHZZPFVJC-OAHLLOKOSA-N 334.460 2.955 0 50 EFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3 1857721556 VKJCDRNNKULZEX-JRBPQWBISA-N 332.488 2.738 0 50 EFAA Cn1cc(CCC(=O)Nc2ccc3sc(C(=O)O)cc3c2)cn1 225444545 INGZFANGQBFXDR-UHFFFAOYSA-N 329.381 2.904 0 50 EFAA COc1cc(C)c(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)n1 643707796 GGWBTHNFUNYISJ-QGZVFWFLSA-N 341.459 2.900 0 50 EFAA Cc1cc(C)c2oc(N3CCN(Cc4cnn(C)c4)CC3)nc2c1 450320027 SZSBWKHQZHPGSA-UHFFFAOYSA-N 325.416 2.500 0 50 EFAA C[C@H]1NCCC[C@H]1C(=O)Nc1nccn1Cc1ccccc1Cl 343465376 UXVMXTZLIXBEIG-TZMCWYRMSA-N 332.835 2.911 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)n1c(C)cc(C)nc1=O 16626263 DMOUDWUTRPZLAS-INIZCTEOSA-N 327.384 2.653 0 50 EFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[C@H](N)C1 158061128 FYMYKYXXLNYKKY-OCCSQVGLSA-N 339.277 2.968 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(ccc4ccccc43)[nH]1)C2 1704312199 NKZAOEHRDDJVOQ-ZBFHGGJFSA-N 349.434 2.724 0 50 EFAA CN1C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3F)no2)CC1=O 1247716871 NMGHKRTZUCFCRA-SSDOTTSWSA-N 329.253 2.840 0 50 EFAA Cn1cc(-c2ccc(NC(=O)N3CC[C@@H]3C3CCCC3)nn2)cn1 931146250 AUBPFKXHCAIMBH-OAHLLOKOSA-N 326.404 2.674 0 50 EFAA CC(C)c1cccc(CNC(=O)N2CCN3C(=O)OC[C@@]3(C)C2)c1 1875289077 RMFBHEHARPCZDJ-GOSISDBHSA-N 331.416 2.546 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCCc3ccccc3F)n[nH]c21 1875293301 LDORESBLVKXJCY-NEPJUHHUSA-N 331.391 2.934 0 50 EFAA Cc1cc(S(=O)(=O)Nc2cc3c(C)nn(C)c3nc2C)ccc1F 1875279740 BKGIGFNGWJYIFW-UHFFFAOYSA-N 348.403 2.833 0 50 EFAA C=CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 1875301875 UQEFYXOMXFVZGX-CYBMUJFWSA-N 341.436 2.656 0 50 EFAA O=S(=O)(Nc1cccc2n[nH]cc12)c1cncc(C(F)(F)F)c1 1875345470 YOSHMQRLKAANQO-UHFFFAOYSA-N 342.302 2.778 0 50 EFAA Cc1ccc2cc(C(=O)N3C[C@H](N(C)C)C4(CCOCC4)C3)[nH]c2c1 1775987031 HDKTXIYVJVYEKI-SFHVURJKSA-N 341.455 2.659 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccn2)C1 1776000275 MUDAYDOLXOLPDB-PNBKFKSVSA-N 345.443 2.545 0 50 EFAA Cc1cn(C)nc1CS(=O)(=O)Cc1ccc(Br)cc1 899505269 GNEXIRZKNOJCRL-UHFFFAOYSA-N 343.246 2.606 0 50 EFAA CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1 63613 KNOHJRRUNQQDRV-UHFFFAOYSA-N 326.400 2.847 0 50 EFAA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccc(F)cc1)C2=O 110146 CQOJYURVBYWTDL-QGZVFWFLSA-N 337.354 2.823 0 50 EFAA COc1ccccc1OCCCn1c(CNC=O)nc2ccccc21 4810263 SYUSAWIXDRVILP-UHFFFAOYSA-N 339.395 2.760 0 50 EFAA Fc1cc(-c2nn3c(-c4cnccn4)nnc3s2)cc(F)c1F 40287699 FTALBCSYJVWQCK-UHFFFAOYSA-N 334.286 2.727 0 50 EFAA COC[C@H](C)CN1CCC(=O)N(Cc2cccc3occc23)C1=O 2325779820 GQZQKKQQIPQPRP-CYBMUJFWSA-N 330.384 2.870 0 50 EFAA CC(C)n1cc([C@@H]2C[C@H]2C(=O)N[C@](C)(C(=O)O)c2ccccc2)cn1 2325780219 QIQOONQQYXUGPS-FCEWJHQRSA-N 341.411 2.684 0 50 EFAA Cc1nn2c(c1C(=O)NCc1noc(-c3ccco3)n1)CCC[C@H]2C 2325798493 YRTKHIRWFJKFLQ-SNVBAGLBSA-N 341.371 2.662 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1 454726 DOZJSVQLPZMUSB-UHFFFAOYSA-N 346.452 2.871 0 50 EFAA CCOC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 467456 VTOOONZIKRXQKV-UHFFFAOYSA-N 333.409 2.830 0 50 EFAA COc1ccccc1NC(=O)[C@H]1CC(=O)n2c(nc3ccccc32)N1 529007 GYPOQVLMUYHGPZ-CYBMUJFWSA-N 336.351 2.508 0 50 EFAA CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)sc3c2)CC1 619104 SDBUPUWHLDZUDL-UHFFFAOYSA-N 348.428 2.911 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@]12CCCNC2=O 2356148860 WWBKAYFNCJRTJB-HNNXBMFYSA-N 326.318 2.590 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1 4113593 MOFCDPUZDQTYJY-HNNXBMFYSA-N 334.441 2.919 0 50 EFAA CCC[C@@H]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C1 222216215 AIRRJXLUBAWSDY-DAXOMENPSA-N 348.468 2.729 0 50 EFAA COc1ccc(CCN2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1OC 100619589 CDBCXNPTQKHZNJ-GJZGRUSLSA-N 329.396 2.588 0 50 EFAA Clc1c(OCCNCCN2CCOCC2)ccc2ccccc12 20482193 VAKUZHSRSJAEKG-UHFFFAOYSA-N 334.847 2.794 0 50 EFAA CCC(=O)Nc1cccc(OCC(=O)Nc2cnc3n2CCCC3)c1 67740618 NTFWKEBPHNATET-UHFFFAOYSA-N 342.399 2.585 0 50 EFAA Cc1cc(C)c2c(c1)NC(=O)[C@H]2CC(=O)NCCc1ncccc1C 65398361 MNEXFIUKEWMBQU-HNNXBMFYSA-N 337.423 2.792 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1cccnc1 134644124 JJYXUJIRUJDFGC-HNNXBMFYSA-N 341.415 2.504 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 247756209 XJAXWLAMZPUADK-COXVUDFISA-N 346.858 2.961 0 50 EFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2nc(C)c[nH]2)cc1 20601129 JIZQFPDKPYKZST-UHFFFAOYSA-N 336.395 2.964 0 50 EFAA CC(C)c1nnc(S)n1CCNC(=O)c1cccc2c1CCC2 170645265 DVDJGIIYGINDTN-UHFFFAOYSA-N 330.457 2.609 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(C)C)on2)C1 229858584 XHOXUALUNVWKGT-DMDKVIGKSA-N 327.450 2.999 0 50 EFAA Cc1cc(N2CCCCC[C@H]2C[C@@H](O)c2ccco2)n2ncnc2n1 229946254 NPWOPPRICKALQN-LSDHHAIUSA-N 341.415 2.898 0 50 EFAA Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCc1ccoc1 352824963 OPCDPDLEXITTPI-HOTGVXAUSA-N 349.406 2.546 0 50 EFAA CC(=O)Nc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1 36354389 KTUMPIPGEWNXQQ-UHFFFAOYSA-N 341.392 2.660 0 50 EFAA Cc1nc(CCN)cc(N2CCC[C@H]2c2nc3c(C)cccc3[nH]2)n1 67741574 CXHQSYSVILNAQB-INIZCTEOSA-N 336.443 2.812 0 50 EFAA O=C(N[C@@H](c1ccccn1)C1CCCC1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252585000 FLICDCXZQLIRTN-GCDKYVQMSA-N 340.423 2.952 0 50 EFAA O=S(=O)(Cc1nccs1)Cc1nnc(-c2ccccc2)s1 122381442 UHCCGQNZYWJAMZ-UHFFFAOYSA-N 337.451 2.777 0 50 EFAA Cc1ocnc1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 328587127 QBSGQZXGGQLLDE-UHFFFAOYSA-N 348.362 2.833 0 50 EFAA Cc1cc(=O)c(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c[nH]1 72440237 HGQJDVAFPJVTAR-AWEZNQCLSA-N 344.386 2.754 0 50 EFAA NC[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1 215071020 MKWVHMCDHBRIAW-IBGZPJMESA-N 331.504 2.865 0 50 EFAA CCCOc1cccc(CC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 131865239 SBHRTCFNMVHZGM-AEFFLSMTSA-N 344.455 2.535 0 50 EFAA Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)cnn1Cc1ccccc1 153582907 CUUXOGSHTRUDDL-UHFFFAOYSA-N 332.367 2.763 0 50 EFAA O=C(c1ccc(NC(=O)C2(C(=O)O)CC2)cc1)N1CCCCCC1 154810511 YXDMYJKOCKSSAV-UHFFFAOYSA-N 330.384 2.506 0 50 EFAA C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H](c1ccccc1)N(C)C 487884744 LJMSOWNJGLEBEH-MCYKXBRJSA-N 342.487 2.779 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cccn3C)C2)cc1 77455871 GCNIZDSZECHPSH-OAHLLOKOSA-N 328.412 2.965 0 50 EFAA CCc1nc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)ncc1C 72145756 VOCXGSJZYJZEGU-MRXNPFEDSA-N 336.439 2.528 0 50 EFAA O=C(NS(=O)(=O)c1cccs1)[C@H]1CCCc2sccc21 155880153 FFPUEISFYKXPER-JTQLQIEISA-N 327.452 2.735 0 50 EFAA Cc1cc(NC[C@H](O)COc2ccccc2)n2nc(C)c(C)c2n1 72410175 WVZWVQSUITWBBY-HNNXBMFYSA-N 326.400 2.506 0 50 EFAA O=C(Nc1ccc2ccoc2c1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 333162969 HSHCSMJHXBQNCH-KRWDZBQOSA-N 348.424 2.865 0 50 EFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(-c2nnc(S)o2)cc1 127954184 GKQCRECKXDFSJR-MGPQQGTHSA-N 345.424 2.713 0 50 EFAA COc1ccc(-n2cc([C@@H](C)NC(=O)Nc3nncs3)cn2)cc1 32511655 FIRZEDMULRHVHC-SNVBAGLBSA-N 344.400 2.615 0 50 EFAA Cc1nnc(CN[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)o1 374815937 QJOBAGUAFPBSDR-RDJZCZTQSA-N 336.386 2.970 0 50 EFAA CO[C@H](C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)C1CC1 334117468 IIPSYSLGGUOQOQ-HIFRSBDPSA-N 332.425 2.621 0 50 EFAA O=C(CNC(=O)c1ccccc1)Nc1cccc(CN2CCCC2)c1 78604251 JPFQRBUTNXHFLX-UHFFFAOYSA-N 337.423 2.651 0 50 EFAA CC(=O)N1C[C@H](CCC(=O)Nc2ccc3nncn3c2)c2ccccc21 373323380 GCWBUYWTRCFREM-AWEZNQCLSA-N 349.394 2.598 0 50 EFAA CN(C)CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 72476207 CVKWZRRGRXYOIK-UHFFFAOYSA-N 341.390 2.835 0 50 EFAA CC(C)CCC[C@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CCO1 71714986 SALREHYFICFIEW-AWEZNQCLSA-N 335.448 2.561 0 50 EFAA O=C(NC[C@H]1CCCNC1)c1cc(Cl)ccc1Br 130108770 NYZSUAUREZGHSO-VIFPVBQESA-N 331.641 2.832 0 50 EFAA Cc1cc(C)n(Cc2nn3c(Cc4ccc(F)cc4)nnc3s2)n1 40284325 SKIRHANSFSBFBJ-UHFFFAOYSA-N 342.403 2.777 0 50 EFAA O=C(O)c1ccccc1CC1CCN(C(=O)CC[C@H]2CCOC2)CC1 263167785 YMLNVEDNEODFDX-INIZCTEOSA-N 345.439 2.983 0 50 EFAA O=C1NCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 241121855 JEHSTBJFVQUORH-MJVIPROJSA-N 341.238 2.882 0 50 EFAA O=C(O)c1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1 41150216 VIKIBWYHOUMUGF-UHFFFAOYSA-N 338.367 2.866 0 50 EFAA biogenic C[C@H]1CS(=O)(=O)CCN1Cc1csc(Nc2ccccc2)n1 172422264 FJHJGPJXTRGMPT-LBPRGKRZSA-N 337.470 2.506 0 50 EFAA CC(C)OCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222615446 IONVGCAFIUKTGP-KJXMEXGPSA-N 328.412 2.588 0 50 EFAA CCCC[C@H](CC(=O)O)NC(=O)N1CC(Oc2ccc(F)cc2)C1 426421839 KUVYDTNMMACRJS-CYBMUJFWSA-N 338.379 2.632 0 50 EFAA Cc1cc(C)n(CCNC(=O)N2CCCC[C@H]2c2nccs2)n1 426438876 MIXNQHHVYCUJDP-AWEZNQCLSA-N 333.461 2.893 0 50 EFAA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccnc3c2nnn3C)o1 283113608 YIFMWEVHGAZACT-BXUZGUMPSA-N 339.399 2.878 0 50 EFAA COC[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccnn1C 82116268 CJNQOCHXERTAJB-JTQLQIEISA-N 348.453 2.723 0 50 EFAA COc1cncc(-c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)c1 426361845 WHJBLAPLIVEVQL-CQSZACIVSA-N 326.396 2.914 0 50 EFAA O=C(NCCCc1cccnc1)N1CC(OCc2ccccc2F)C1 426534990 ABCQZDDQSQKROZ-UHFFFAOYSA-N 343.402 2.764 0 50 EFAA Cc1cccc(C)c1OCCCN(C)C(=O)NCCn1cccn1 426537399 CRLZIZPCGCMVLQ-UHFFFAOYSA-N 330.432 2.610 0 50 EFAA Cc1ccc([C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@H]2N(C)C)cc1 95530174 QHQIQTCERXLILQ-VQTJNVASSA-N 338.499 2.986 0 50 EFAA O=C(NCCN1CCCOC1=O)Nc1ccc(-c2cscn2)cc1 96132355 KHKBPSQAOMWSMC-UHFFFAOYSA-N 346.412 2.774 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc3c(C)cccc3n1C)CC2 426389245 JKHWJFNUHGAIIY-ADLFWFRXSA-N 342.439 2.631 0 50 EFAA COc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239296998 DODZACSBQUZIMD-WZGPROSRSA-N 347.370 2.655 0 50 EFAA Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)sc1Cl 95364618 ZWCGRSKERVTXIH-CQSZACIVSA-N 349.887 2.820 0 50 EFAA O=C(N1CCCC1)N1CCC(c2nccn2Cc2cccnc2)CC1 91987723 HEDSTFLETCHOGX-UHFFFAOYSA-N 339.443 2.722 0 50 EFAA COC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 95521105 DCHVRKZRRZWTFD-UHFFFAOYSA-N 336.819 2.921 0 50 EFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cccc(-n2cnnc2)c1 95355941 QDTPXIQLWQKGOD-OAHLLOKOSA-N 348.406 2.639 0 50 EFAA CCNc1ncc(C(=O)N(Cc2ccccn2)Cc2ccco2)cn1 96142277 AJCDXQJKCFEKJY-UHFFFAOYSA-N 337.383 2.739 0 50 EFAA C[C@@H](c1nc2c(s1)CCCC2)n1cc(-c2ccc(CO)o2)nn1 91518686 RZDQCVUZATYJJN-JTQLQIEISA-N 330.413 2.975 0 50 EFAA O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[C@@H](C(=O)O)C1 299741354 FGGJKUNNAZNEDC-CYBMUJFWSA-N 341.338 2.603 0 50 EFAA Cc1ccccc1OC[C@@H](O)C(=O)NC(C)(C)Cc1ccc(O)cc1 299778502 HKRBLLUPELLZOQ-QGZVFWFLSA-N 343.423 2.578 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(F)ccc3F)[C@H]2C1 299755276 FIWIBOFYJVEKAD-YLQAJVPDSA-N 325.355 2.763 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCOc3ccccc3C)[C@H]2C1 299769653 SVUQZHGPCWAULW-IMFGXOCKSA-N 347.455 2.949 0 50 EFAA COc1ccccc1Cc1nc([C@H]2CCCNC2)n(-c2ccncc2)n1 824821831 AGIPVYSGXURICX-INIZCTEOSA-N 349.438 2.729 0 50 EFAA CC[C@@H](NC(=O)c1cc(O)cc(C(=O)OC)c1)c1ccc(C)cn1 584888315 PBXFHNGVUVCOOV-OAHLLOKOSA-N 328.368 2.763 0 50 EFAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(-c2ccco2)cc1 670437356 OQZGPAXOSRPKRH-ZDUSSCGKSA-N 340.383 2.676 0 50 EFAA CSCc1nc(COc2cccc(F)c2)nn1CC(C)(C)O 670444041 NLKZUXKOCRGYPL-UHFFFAOYSA-N 325.409 2.630 0 50 EFAA CCCn1nccc1S(=O)(=O)N[C@@H](CC(C)C)c1cccnc1 670473748 MFXVZAMVEVBMGL-HNNXBMFYSA-N 336.461 2.754 0 50 EFAA CC(C)c1nsc(N2CCC(n3c(O)nc4cccnc43)CC2)n1 1332494300 XKXKNUKMJUUWAV-UHFFFAOYSA-N 344.444 2.953 0 50 EFAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)c1nccn2cnnc12 1336862787 XCABQZDQNQHLSE-LLVKDONJSA-N 328.445 2.732 0 50 EFAA Cc1cc2cc(CNC(=O)[C@@H](O)COc3ccccc3C)ccc2[nH]1 952975921 ZMPOFHZKVLSKKZ-SFHVURJKSA-N 338.407 2.841 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2ncccn2)C1 1364978754 UAZSAWHRGQEUIT-ZFWWWQNUSA-N 329.375 2.789 0 50 EFAA O=C(NCc1ccc(OC(F)F)cc1F)N[C@@H]1C[C@@H]2CC[C@H]1O2 1372097192 RWXCBBXQZQFORK-CYZMBNFOSA-N 330.306 2.546 0 50 EFAA CC(C)(C)n1nnc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)n1 657423235 BMHCKCJBRJISNB-UHFFFAOYSA-N 338.419 2.703 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 407981771 VGOCMJZCALZFGE-CQSZACIVSA-N 329.404 2.746 0 50 EFAA CC(C)c1ncc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)s1 276339689 QJQOPSSBMANRTG-YPMHNXCESA-N 334.445 2.650 0 50 EFAA CCOCN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1c(C)cccc1CC 170598206 HRIXVGKHJRYXAG-IRXDYDNUSA-N 348.487 2.994 0 50 EFAA NC(=O)CSCC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 187037802 MNOLXWBHTOHDIH-QGZVFWFLSA-N 340.448 2.676 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCN1 188368329 SHRMQUHDDUTLEU-RAIGVLPGSA-N 328.334 2.509 0 50 EFAA O=C(NCCOc1cccc2ccccc12)NC[C@@H]1CC[C@H](O)C1 190241953 AYWYZNHIOFMYKN-ZBFHGGJFSA-N 328.412 2.679 0 50 EFAA O=C(c1cccc(N2CCCC2)c1)N1CCC[C@@H]([C@@H]2CCNC2)C1 662523228 OYSKVJWNYFNJNF-QZTJIDSGSA-N 327.472 2.749 0 50 EFAA O=C(Cc1cccc(Cl)c1Cl)NC1(c2nnc[nH]2)CCC1 194295333 PFXMFRUJPVTEFL-UHFFFAOYSA-N 325.199 2.850 0 50 EFAA Cc1n[nH]cc1CNc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 195137338 RKCXWEGJCVRIAF-BETUJISGSA-N 328.416 2.580 0 50 EFAA Fc1ccc(C2(n3cc(C[C@H]4CCCNC4)nn3)CCOCC2)cc1 656437409 QIKDOELPDGYURF-OAHLLOKOSA-N 344.434 2.513 0 50 EFAA Cc1cc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c2n[nH]cc2c1 777490125 FJJGWWWOOWJCMW-LJQANCHMSA-N 339.370 2.744 0 50 EFAA Cc1cc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c2n[nH]cc2c1 777490122 FJJGWWWOOWJCMW-IBGZPJMESA-N 339.370 2.744 0 50 EFAA Cc1ccc2nc(CN3CC(Oc4c(C)cccc4C)C3)cc(=O)n2c1 1506420482 FMJYDBOEOVTRJL-UHFFFAOYSA-N 349.434 2.883 0 50 EFAA CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccnn1C 1506406891 HCQVIVRRFASUGF-LBPRGKRZSA-N 343.836 2.512 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@H]1N 237247406 WQNZPAPYMNZGLX-WCQYABFASA-N 329.213 2.674 0 50 EFAA CCN(CCOC)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772806174 VERAYYYFCHDMOT-AWEZNQCLSA-N 345.468 2.805 0 50 EFAA CN1CCC(N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)CC1 12705074 UAIKJJVJIHFDTH-SFHVURJKSA-N 333.520 2.799 0 50 EFAA CCN1CCC2(CC1)OCCN2C(=O)c1ccc(OC)c(Cl)c1 13725759 RLMAMZQDDXZPFJ-UHFFFAOYSA-N 338.835 2.633 0 50 EFAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(CCO)CC1 15063414 BJGLWOAGSRJLKJ-UHFFFAOYSA-N 325.836 2.520 0 50 EFAA CNC(=O)c1cnc(C=Cc2cccc(OCCC(=O)O)c2)s1 1857529000 HPAOBLWJONYSBI-UHFFFAOYSA-N 332.381 2.527 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 1857669556 RXNKOWDEYZCLEK-OXJNMPFZSA-N 345.439 2.931 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2)OC2(CCN(Cc3cncnc3)CC2)C1 1857700485 CUEMPTSDZOLXOP-RTBURBONSA-N 339.439 2.724 0 50 EFAA Clc1cnc(N2CCC(NCCOc3ccccc3)CC2)nc1 301502364 XSPJDVGTKHCSJY-UHFFFAOYSA-N 332.835 2.767 0 50 EFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(COC)o3)CC[C@@H]21 216998421 MHGQWEBAUHBAGI-ZBFHGGJFSA-N 348.443 2.679 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2csc(CCc3ccccc3)n2)C1 237662596 AGWCJXSZVCKLKQ-GOSISDBHSA-N 344.436 2.865 0 50 EFAA CC(C)Oc1ccc(C(=O)NCc2ccnc(N(C)C)n2)c(Cl)c1 457696777 FBDGTULJAILXRP-UHFFFAOYSA-N 348.834 2.913 0 50 EFAA Cn1ccc(CCNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n1 680630496 OFGUSMQELGIARE-HNNXBMFYSA-N 348.834 2.829 0 50 EFAA CC1=NN(c2ccc(C(=O)N3CC[C@@H](c4nccn4C)C3)cc2)CC1 374333664 VSIALDXXAVSVCY-MRXNPFEDSA-N 337.427 2.636 0 50 EFAA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)C1 378219288 SWHUURMMFZBLMM-BBRMVZONSA-N 336.382 2.887 0 50 EFAA CC1(c2cc(NC(=O)N[C@H]3CCN(CC(F)F)C3)no2)CCCC1 931132088 LVJQGMHGLNICHG-NSHDSACASA-N 342.390 2.967 0 50 EFAA CCOc1ccc(S(=O)(=O)N=c2[nH]ccnc2C(C)C)c(C)c1 1875280136 WIRFSRFBHGMNSE-UHFFFAOYSA-N 335.429 2.530 0 50 EFAA CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H](O)CF 1875287201 YJPMSUUGIJOHPF-OAHLLOKOSA-N 345.340 2.712 0 50 EFAA COc1cc(C(=O)NCc2ncccc2F)cc(CC2CC2)c1O 1875318958 NIMNBHJDYGLTIE-UHFFFAOYSA-N 330.359 2.817 0 50 EFAA Nc1cc(C(=O)OCc2csc(Cl)c2)ccc1-n1cncn1 1875338814 MUEMDMWIJROAJD-UHFFFAOYSA-N 334.788 2.921 0 50 EFAA O=C(NC1CC1)c1ccc(-c2noc([C@@H]3C[C@@H]4C[C@H]4CO3)n2)cc1 1875306324 ADBJETCXVOWKCY-YDHLFZDLSA-N 325.368 2.726 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3nccc(C)c3c2)C1 888077689 PPQQAEWQXCYQNP-RHSMWYFYSA-N 336.395 2.869 0 50 EFAA CC(C)n1cc([C@H]2N(C(=O)C3=CCCCO3)CC23CCOCC3)cn1 888101127 HJMYQBJXYWOQFZ-QGZVFWFLSA-N 345.443 2.838 0 50 EFAA NC(=O)[C@H]1c2ccccc2CCN1Cc1csc(C(F)(F)F)n1 891844600 HSDLMLOHHJYXSM-GFCCVEGCSA-N 341.358 2.747 0 50 EFAA Cc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 83642 FCIZWCWBFFCBNT-UHFFFAOYSA-N 339.395 2.957 0 50 EFAA CCS(=O)(=O)c1nc2ccccc2n1CCOc1ccccc1 250127 WUJSQVKOEIYYHC-UHFFFAOYSA-N 330.409 2.909 0 50 EFAA COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1 517415 GODLCSLPZIBRMG-UHFFFAOYSA-N 332.308 2.641 0 50 EFAA biogenic,in-vitro Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 2325768348 HXRKXIARABOOHO-DLBZAZTESA-N 340.379 2.931 0 50 EFAA C[C@H](NC(=O)C[C@@]1(C)CCCO1)c1ccc(N2CCCC2=O)cc1 2325776244 GLYQWGAPEDUNFB-IFXJQAMLSA-N 330.428 2.950 0 50 EFAA Cc1cc(C)n(-c2ccc(CC(=O)N=c3[nH]oc4ncccc34)cc2)n1 2325816237 KEGFTIOFKUJBDE-UHFFFAOYSA-N 347.378 2.628 0 50 EFAA CC(C)(C)OC(=O)c1ccc(=NCCc2c[nH]c3ccncc23)[nH]c1 2325859749 JIEWRNTWBXJBPL-UHFFFAOYSA-N 338.411 2.990 0 50 EFAA Cc1cc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c(C)c1 197642 IQGXQMVMNRNQLK-UHFFFAOYSA-N 338.455 2.768 0 50 EFAA COC(=O)c1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1 243147 PEANRFKFFVOHKA-OAHLLOKOSA-N 340.379 2.571 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 270137 DIZVJEGNDUARFM-NSHDSACASA-N 346.333 2.965 0 50 EFAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(F)(F)F)c1 4195503 GZIYDTRUFINXAO-UYYQOPGSSA-N 325.286 2.842 0 50 EFAA CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 4996023 KCUYGPSXIQAZLO-UHFFFAOYSA-N 349.408 2.674 0 50 EFAA O=C(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6208298 NFNSSUGZQNWNAI-UHFFFAOYSA-N 345.424 2.509 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)CCNC(=O)c1ccc(F)cc1 55168657 OSJWANFGWOGXDS-NSHDSACASA-N 335.404 2.622 0 50 EFAA CCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 9224773 GMEFZRBHYJJMAS-GFCCVEGCSA-N 344.440 2.970 0 50 EFAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N1CC[C@@]2(CCOC2)C1 225354185 NTFHCPGJQZFFQP-PWIZWCRZSA-N 326.440 2.713 0 50 EFAA CCOCCOCCN(C)C(=O)N(CC(F)(F)F)c1ccncc1 225646819 YXRWIKUOGOFCQW-UHFFFAOYSA-N 349.353 2.555 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225681180 DYUOMZRFZGSPCU-MSOLQXFVSA-N 329.371 2.677 0 50 EFAA Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[nH]2)c1 55107949 XHFUQDJBXFQQPC-ZDUSSCGKSA-N 337.383 2.890 0 50 EFAA CCCn1cnc(NC(=O)c2ccc(CN3CCC[C@@H]3C)cc2)n1 65495081 JZIDRWJDKNSIIG-AWEZNQCLSA-N 327.432 2.925 0 50 EFAA Cc1ccccc1OCCNC(=O)c1ccc(N2CCOCC2)cc1 63939064 CNCZYQRLJHNMGA-UHFFFAOYSA-N 340.423 2.640 0 50 EFAA Cc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)oc1C 67654221 ZXIIRATZKZLRIG-DLBZAZTESA-N 329.396 2.976 0 50 EFAA CCc1cccc(OC[C@@H](O)CSc2ncccc2C(=O)OC)c1 354939728 MESBNYYDPJTOQU-CQSZACIVSA-N 347.436 2.963 0 50 EFAA CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCOCC2)cc1 22063859 VDIKGFQDVXYXEK-JXMROGBWSA-N 330.472 2.836 0 50 EFAA CC(=O)NCC[C@@H]1CCCN(Cc2cc3ccc(C)cc3[nH]c2=O)C1 67834318 FTYMIABBLGUJEU-INIZCTEOSA-N 341.455 2.575 0 50 EFAA CSCC[C@H]1c2nc[nH]c2CCN1Cc1cnn(C)c1C1CC1 67788488 UXENEPQJLXFICW-HNNXBMFYSA-N 331.489 2.873 0 50 EFAA O=C1C[C@@H](c2ccc(Cl)nc2)c2c(-c3cccnc3)n[nH]c2N1 65387653 YQVOGGLSKBZPOH-NSHDSACASA-N 325.759 2.994 0 50 EFAA COCC1(c2noc(-c3oc(CC4CC4)nc3C)n2)CCOCC1 349712502 CCTDOCKNBIZNRF-UHFFFAOYSA-N 333.388 2.680 0 50 EFAA CC(=O)c1ccccc1C(=O)NC[C@H]1CCN(Cc2cccnc2)C1 67983555 ABJXORRKBYZSNG-QGZVFWFLSA-N 337.423 2.536 0 50 EFAA COc1nc2ccccc2cc1-c1ncc(F)c(N2CCOCC2)n1 67757557 SBKMEIMNHMVITL-UHFFFAOYSA-N 340.358 2.676 0 50 EFAA CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 352240284 GANAOEOBOXFHMI-XUVXKRRUSA-N 344.499 2.876 0 50 EFAA Cc1cccc(N2CCC(N3CC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C 72454139 PHIRRUKSVXPPSB-FQEVSTJZSA-N 343.471 2.799 0 50 EFAA Cc1nonc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 170603065 CVYRNTGGMKKQQM-UHFFFAOYSA-N 341.698 2.851 0 50 EFAA CCNC(=O)NCCCOC(=O)c1ccc(F)cc1C(F)(F)F 170600105 PPISOTCGAOEYEA-UHFFFAOYSA-N 336.285 2.711 0 50 EFAA CC[C@H](C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 229479244 DIKYMGZAOUHVRH-KKUMJFAQSA-N 332.444 2.598 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@](O)(CO)CC2)c2cc(Cl)ccc2n1 72140021 AKUQALQLEHYQDU-SFHVURJKSA-N 348.830 2.546 0 50 EFAA O=C(O)C[C@@H]1COCCN1C(=O)C1c2ccccc2-c2ccccc21 72427056 LAZYDSSBSXWDGZ-CYBMUJFWSA-N 337.375 2.501 0 50 EFAA O=C1C[C@@]2(CCN(Cc3cccc(Oc4ccccc4)c3)C2)C(=O)N1 77357358 JGCMYMVHJXYJLR-HXUWFJFHSA-N 336.391 2.718 0 50 EFAA CC1(C)[C@H](NC(=O)NCc2cccc3cccnc23)[C@H]2CCO[C@H]21 230154346 HWNJQVMCVOFUBB-DJIMGWMZSA-N 325.412 2.848 0 50 EFAA Clc1cccc(CN2CCN(c3ncnc4c3CCC4)CC2)c1 76920047 UUXFWKHLRMPMGU-UHFFFAOYSA-N 328.847 2.941 0 50 EFAA OC1CCN(CCCN[C@H]2CCCOc3cc4c(cc32)CCC4)CC1 122021068 JBLAQYBBJPHNLO-FQEVSTJZSA-N 344.499 2.825 0 50 EFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1cc2c(cc1O)OCO2 218055500 CCBZLRSYQWIBIN-GFCCVEGCSA-N 344.319 2.514 0 50 EFAA biogenic N[C@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 72120756 UOUFMKGRHWBFRC-JTQLQIEISA-N 326.322 2.535 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 238043746 XQVODFGAZDSZGD-CQSZACIVSA-N 348.399 2.957 0 50 EFAA Cc1cc(CN2CCC(N(C)C[C@H](O)c3ccccc3F)CC2)on1 370169649 QUAWWWJXZFZKKU-IBGZPJMESA-N 347.434 2.752 0 50 EFAA O[C@@H](CN(Cc1cccnc1)c1nc2ccccc2[nH]1)C(F)(F)F 158287506 UTLBLPSCLIGQCU-AWEZNQCLSA-N 336.317 2.888 0 50 EFAA CC[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 237073940 XMVQYAGHOWEYEO-QWHCGFSZSA-N 345.317 2.511 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 220362563 KZTLDKXSZUKJKK-MRXNPFEDSA-N 329.375 2.844 0 50 EFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CC[C@@H]1CCCCO1 221357127 XBJHHHDOHNZTEV-INIZCTEOSA-N 342.439 2.728 0 50 EFAA CCn1ncc2cc(C(=O)N[C@@H](CO)CCC(C)(C)C)c(C)nc21 240278303 DQHIGTVQQJOYOX-CQSZACIVSA-N 332.448 2.677 0 50 EFAA CCc1noc(C)c1NC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 455013615 HJCDYGVPRNYAGF-JTQLQIEISA-N 348.369 2.893 0 50 EFAA COc1ccc(OC)c(C(=O)CN2CCN(C3CCCCC3)CC2)c1 220965484 HSZUMIVVKUDJCK-UHFFFAOYSA-N 346.471 2.837 0 50 EFAA Cn1cc(CNC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)cn1 242339280 ZGNHCGTYDFNYQG-QGZVFWFLSA-N 329.444 2.848 0 50 EFAA CC(C)c1[nH]nc(C(N)=O)c1NC(=O)[C@H]1CCCc2ccccc21 457171277 PNNZZIKHZRMGEZ-ZDUSSCGKSA-N 326.400 2.691 0 50 EFAA CC(C)C[C@H](NC(=O)N1CC(Oc2cccc(Cl)c2)C1)C(=O)O 426503114 VGOGDKANAKBKAN-AWEZNQCLSA-N 340.807 2.612 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2nc(-c3ccccc3)oc2C)C1 284563904 IQLWAOYKWOYCEY-ZBFHGGJFSA-N 339.399 2.730 0 50 EFAA COCc1nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2[nH]1 44901089 SGBZMBKTNFOBCV-UHFFFAOYSA-N 325.324 2.690 0 50 EFAA CC[C@H](C)CCNC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 426504448 GQUXMSUQLGZQCJ-AWEZNQCLSA-N 335.423 2.616 0 50 EFAA O=C(NC1CCN(Cc2cccnc2)CC1)N1C[C@H]2CC=CC[C@H]2C1 426399406 LWCPLIGGGMJXTB-HDICACEKSA-N 340.471 2.654 0 50 EFAA O=C1N(C2CCCC2)CCC[C@]12CCN(c1noc(C3CC3)n1)C2 91424849 CABZGINMPUTAIU-GOSISDBHSA-N 330.432 2.709 0 50 EFAA COc1ccccc1CN1CCN([C@@H](C(=O)O)c2ccsc2)CC1 95383957 BORKNGVGZCVPBI-QGZVFWFLSA-N 346.452 2.700 0 50 EFAA Cc1nnc(SCCNC(=O)N(C)Cc2cccs2)s1 426444673 RAQSKLJQLYCJLR-UHFFFAOYSA-N 328.488 2.842 0 50 EFAA O=C(c1cn[nH]n1)N(Cc1ccncc1)[C@@H]1CCCc2ccccc21 97212985 WFTQYMCICQLNAR-GOSISDBHSA-N 333.395 2.920 0 50 EFAA Cc1c(Cl)c(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)nn1C 95368339 MOHSQZNZXQXJOE-SNVBAGLBSA-N 337.811 2.866 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](CC(=O)O)c2ccccc2F)CC1 95515131 JSKYVLOPABCBFU-MRXNPFEDSA-N 336.407 2.578 0 50 EFAA CN1CCC(CCC(=O)N[C@@H](c2cccnc2)C(F)(F)F)CC1 97784742 ANISVLWSDYWZMJ-HNNXBMFYSA-N 329.366 2.923 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCc4nc(N)sc4C3)[nH]n2)s1 91350736 CWPWGDQBMQWEOE-UHFFFAOYSA-N 345.453 2.684 0 50 EFAA Cc1cc(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)ccn1 179798324 TXTSOWDKOKJUNZ-UHFFFAOYSA-N 337.383 2.885 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1cccnc1N(C)C 180772231 XBLOARZBPIGJCY-HNNXBMFYSA-N 342.447 2.534 0 50 EFAA Cc1cccc([C@H](CNC(=O)N(C)CCC2(O)CCCC2)N(C)C)c1 534660602 SZXAXMSDAJUJOM-SFHVURJKSA-N 347.503 2.934 0 50 EFAA CN(Cc1cccc(C(F)(F)F)c1)Cc1cnc(C(=O)O)cn1 530161915 KNQHQRDGURVYAV-UHFFFAOYSA-N 325.290 2.826 0 50 EFAA CCn1c(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)nc2ccccc21 299771883 ZOLXXSDIZFPQOJ-DKSSEZFCSA-N 329.444 2.561 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)NCc1nncn1C1CCCCC1 299771546 QOXYBAKDQYLAJU-CYBMUJFWSA-N 330.436 2.556 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NCCCN3CCOCC3)c2c1 823528234 IFIBRSUVQRRVBY-UHFFFAOYSA-N 341.455 2.558 0 50 EFAA CCCCc1ncc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)[nH]1 952966001 HNBMGSOTTAAHPP-CQSZACIVSA-N 330.432 2.740 0 50 EFAA C[C@H](NC[C@H](O)C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 300356272 JILBACHVPBFHFY-SRVKXCTJSA-N 340.386 2.535 0 50 EFAA O=C(CNC(=O)c1cccc([C@@H]2CCOC2)c1)Nc1ccc(F)cc1 270465316 BGZZNGWJMJYFPA-OAHLLOKOSA-N 342.370 2.698 0 50 EFAA CCCN1C(=O)CCc2cc(NC(=O)CCc3c[nH]cn3)ccc21 189382685 NIZCMCCRTVCASC-UHFFFAOYSA-N 326.400 2.670 0 50 EFAA O=C(NCCc1nccn1Cc1ccccc1)[C@H](O)C1CCCCC1 189710149 MUGDBSUAMDGQCY-LJQANCHMSA-N 341.455 2.531 0 50 EFAA CC(=O)NC1CN(C(=O)N[C@H](Cc2ccccc2)c2cccs2)C1 190135199 SKYQPPWQXADXRU-MRXNPFEDSA-N 343.452 2.562 0 50 EFAA C[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1ccc2ccccc2c1 191543092 UPRJDURFGQOIDG-KBPBESRZSA-N 325.412 2.821 0 50 EFAA O=C(NCC[S@](=O)Cc1ccccc1)[C@H]1Cc2ccccc2S1 731859811 WDPJDGSIWROOHE-HXOBKFHXSA-N 345.489 2.769 0 50 EFAA CC[C@H](c1ccccn1)N(C)S(=O)(=O)c1ccsc1C(=O)O 1506417511 LIGNYXQKFAGFKA-LLVKDONJSA-N 340.426 2.613 0 50 EFAA O[C@H]1CCCN(c2ccnc(NCc3csc4c3CCCC4)n2)C1 1704302618 QPGJJIFRGUTRMH-AWEZNQCLSA-N 344.484 2.990 0 50 EFAA O=C(O)[C@H]1CN(C2CSCCSC2)C[C@@H]1c1ccc(F)cc1 219925748 DZQSZATUUIPMPR-CABCVRRESA-N 341.473 2.774 0 50 EFAA CCS[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 1772700549 GSFXBKFDNHQHGQ-NSHDSACASA-N 344.864 2.749 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1CCO[C@@H](Cc2ccccc2)C1 12028967 KIAIQAQROLDEIE-KRWDZBQOSA-N 339.391 2.542 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)nc(C)n1 12439944 CVQDPLLKLNTWJB-SFHVURJKSA-N 338.455 2.530 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)c(OC)c1 12701817 ACWKVZRRZMJEOA-CQSZACIVSA-N 333.428 2.778 0 50 EFAA CC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14538622 MZOYDOLREKFONG-LJQANCHMSA-N 344.455 2.595 0 50 EFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1ccccc1Cl 15074463 BOQOGOHHNLURFM-GOSISDBHSA-N 336.863 2.583 0 50 EFAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC1CCCC1 16652297 FVTLHNHIJLTOHC-CQSZACIVSA-N 338.411 2.567 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1C 17837213 HYTDMEWBJLCIJO-TXEJJXNPSA-N 327.446 2.500 0 50 EFAA CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1 169343019 HXOSEMFSLDEISO-ILRDRHFLSA-N 327.380 2.698 0 50 EFAA CCCCN1C(=O)N[C@@H](c2ccc(OCC)cc2)C2=C1COC2=O 169760841 ADFOWYGLBBNCID-INIZCTEOSA-N 330.384 2.763 0 50 EFAA CC(C)c1ncc(CN(C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cn1 1857528426 FRZYZPRGDKILPX-NEPJUHHUSA-N 343.431 2.618 0 50 EFAA CCn1c(SCC(C)(CO)CO)nnc1-c1cccc(Cl)c1 408518527 MDWJSOJLFDEGBB-UHFFFAOYSA-N 341.864 2.701 0 50 EFAA C[C@@H](NC[C@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1 225583146 STQGWJWPAJFOHU-JKSUJKDBSA-N 349.438 2.988 0 50 EFAA O=C1NCCN(C(=O)c2cncc(Cl)c2)[C@H]1CC1CCCCC1 333720622 JQUIDVNPJZXKTM-HNNXBMFYSA-N 335.835 2.646 0 50 EFAA Cc1cc(Cl)ccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 263003464 RLAPZBBCSZJOCL-AWEZNQCLSA-N 325.792 2.506 0 50 EFAA COc1c(C)cc(C)cc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704297157 IYMZJOZIMUFEPP-UYAOXDASSA-N 332.488 2.591 0 50 EFAA COc1ccc(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)cc1C1CC1 910041428 BTJISZGODOJGON-UHFFFAOYSA-N 349.394 2.929 0 50 EFAA Cc1nc(CNC(=O)c2cc(Br)co2)ccc1[C@H](C)O 837509656 YQAAIYPBHHVETF-VIFPVBQESA-N 339.189 2.729 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@](C)(O)c2ccc(Cl)cc2)c1C 815315670 OOFASVRHTGVGLD-QGZVFWFLSA-N 335.835 2.697 0 50 EFAA CCOc1ccc(-c2nc(CN3CCO[C@@H]4COCC[C@@H]43)co2)cc1 933967797 PKSKDKZKYMNSNS-ZWKOTPCHSA-N 344.411 2.730 0 50 EFAA Cc1cccc2oc(C(=O)N3CC[C@H]4[C@@H](C3)NC(=O)N4C(C)C)cc12 935898329 GHRNQSWYSNQRLH-CABCVRRESA-N 341.411 2.758 0 50 EFAA CC(C)CC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 857703445 LGWCCIVXJXPORV-RKDXNWHRSA-N 348.287 2.633 0 50 EFAA Cc1nnc([C@H]2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)o1 1875271449 UKQPDMKQCXPUGQ-RBSFLKMASA-N 335.354 2.800 0 50 EFAA O=C([C@H](O)Cc1ccccc1)N1CCC[C@H]([C@@H](O)c2ccccc2)C1 1875298064 NLQLYKMKIKPGOA-ZCNNSNEGSA-N 339.435 2.562 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc[nH]c2nccc1-2 1875308000 PCOVZXUJIXNBMH-ZWKOTPCHSA-N 343.390 2.986 0 50 EFAA Cn1cnc2cc(CNS(=O)(=O)[C@@H]3C[C@@H]3c3ccccc3)ccc21 1875362796 TVAKDSVULRIUDM-CRAIPNDOSA-N 341.436 2.549 0 50 EFAA CCn1nc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)no2)c1C 888096185 WXHKWOJWFJXIGO-UHFFFAOYSA-N 346.412 2.976 0 50 EFAA NS(=O)(=O)c1ccsc1CNc1ccc([C@@H]2CCOC2)cc1 1775989848 BTDZECOISZSCCH-GFCCVEGCSA-N 338.454 2.512 0 50 EFAA COC1(c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2)COC1 1775998851 JIZIJVQMEFBSSR-UHFFFAOYSA-N 347.440 2.960 0 50 EFAA O=C(Nc1ccnc(Cn2cccn2)c1)NC1([C@@H]2CCCCO2)CC1 1775994567 YZYQKMQGWBIXNS-INIZCTEOSA-N 341.415 2.550 0 50 EFAA CC(C)NC(=O)CCN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 159080873 DDCMHOWKZSMBCO-WOJBJXKFSA-N 343.515 2.888 0 50 EFAA CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC23CCNCC3)c1 2325768420 UQJNUUAOXSGWJK-KDOFPFPSSA-N 343.471 2.992 0 50 EFAA O=C(OCc1cc2ncccc2s1)c1cc2n(n1)CCCC2=O 2325789131 TUZWRXMQLBYEHD-UHFFFAOYSA-N 327.365 2.826 0 50 EFAA Cn1c(C(=O)Nc2ccccc2N=S(C)(C)=O)cnc1Cl 2325822477 ZVTPGVNAQMCATM-UHFFFAOYSA-N 326.809 2.685 0 50 EFAA CN1CCN(C2=NCCN2Cc2ccccc2)C[C@H]1Cc1ccccc1 2325841939 KOKROQRDHSLFKZ-OAQYLSRUSA-N 348.494 2.717 0 50 EFAA N[C@@H]1CN(S(=O)(=O)c2cccc3scnc23)Cc2ccccc21 2325858837 CGYPCKQRHZMJRZ-CYBMUJFWSA-N 345.449 2.501 0 50 EFAA COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 187775 JRZJFINUEMXOPS-RHSMWYFYSA-N 338.363 2.570 0 50 EFAA biogenic CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccc3c(c1)OCO3)CC2=O 352719 SWSIREKHGQGLSX-MOPGFXCFSA-N 329.396 2.817 0 50 EFAA c1ccc(-n2nnnc2SCc2ccc3nsnc3c2)cc1 364114 FHWRDQILGPCVRP-UHFFFAOYSA-N 326.410 2.959 0 50 EFAA COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c(OC)c1 375262 URQPMGQNHQONEO-UHFFFAOYSA-N 334.397 2.733 0 50 EFAA O=C(CCCC(=O)c1ccccc1)Nc1cnc2ccccn2c1=O 2356170243 VVDVZMVVCNPCRW-UHFFFAOYSA-N 335.363 2.686 0 50 EFAA O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1 3007499 YTPTULOUXJQEMK-UHFFFAOYSA-N 347.374 2.502 0 50 EFAA COc1ccc(N(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4159567 UTGPSWJTHYRHEF-INIZCTEOSA-N 345.420 2.529 0 50 EFAA Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(C)c2ccc(Cl)cc21 4556203 LIGFQBAGJKILCI-QGZVFWFLSA-N 333.771 2.987 0 50 EFAA CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2 6701572 IQRGIACNRRFKSI-UHFFFAOYSA-N 326.352 2.807 0 50 EFAA CCn1cccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1=O 412499110 RKQXRMUYAVJEOM-LBPRGKRZSA-N 332.787 2.711 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3cc(OCC(=O)O)ccc32)ccc1F 65492458 FYVUWAWTICPYQN-CYBMUJFWSA-N 345.326 2.772 0 50 EFAA CC(C)CN1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO 20203602 OEMNORAJYIFWQC-IBGZPJMESA-N 345.462 2.899 0 50 EFAA C[C@H](NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1cccnc1 246718034 FZXSTFAABFIESO-NBOOPKSLSA-N 328.460 2.658 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 248838164 NITBMCBDVAIMSG-GPMSIDNRSA-N 345.487 2.621 0 50 EFAA O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H]2CC[C@@H](C1)N2 65396803 BRRNBVURTXQFLS-KGLIPLIRSA-N 349.283 2.650 0 50 EFAA O=C(CNCc1c[nH]nc1-c1ccccc1)NCc1ccccc1F 67726970 VTGFZSUAOCWIFW-UHFFFAOYSA-N 338.386 2.622 0 50 EFAA CCOC(=O)CSc1ccc(C(=O)Nc2ccc(OC)cc2)cn1 1400329 YXPKHOURWYJPRA-UHFFFAOYSA-N 346.408 2.998 0 50 EFAA Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(C2CC2)c(F)c1 252485025 GMPQNWDNGXKCIM-UHFFFAOYSA-N 338.360 2.504 0 50 EFAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](OC)c2ccccc2)C1 229351694 PUNQBFUVVXISEX-RYQLBKOJSA-N 346.471 2.775 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)Cc1ccoc1C 328614433 WBONMMVFLLQIPX-RDJZCZTQSA-N 331.416 2.675 0 50 EFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@]2(CC=CCC2)C1 230212424 JQSINNKVGOEKBK-YLJYHZDGSA-N 348.487 2.753 0 50 EFAA Nc1ncnc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl 253418076 JKSOKASOTXWLDR-CHWSQXEVSA-N 336.798 2.944 0 50 EFAA CN1CC[C@@H](CNCc2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1 328635046 NCQGGGHXTGEJNY-PXNSSMCTSA-N 339.439 2.635 0 50 EFAA O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccc(F)c(Cl)c1 170713857 PGSGMYJCPNKAHM-CYBMUJFWSA-N 325.815 2.588 0 50 EFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(-n2ccnc2)nc1 363794932 FDSKXHJQQCATEO-SJORKVTESA-N 342.443 2.869 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 363906194 ODAMBWAWRUQLSV-GOSISDBHSA-N 330.359 2.733 0 50 EFAA O=C([C@H]1CCc2cn[nH]c2C1)N(Cc1cccs1)C[C@@H]1CCCO1 125676701 NBXYFXKFPNEDRB-ZFWWWQNUSA-N 345.468 2.784 0 50 EFAA Cc1ccc(-n2nccc2NC(=O)C[C@H]2OCCc3ccccc32)nn1 155729155 IELLUMIEXNVVSK-MRXNPFEDSA-N 349.394 2.613 0 50 EFAA COc1c(C)cc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)cc1C 367413772 WDNSSQRVYMSVSQ-FGTMMUONSA-N 346.471 2.636 0 50 EFAA Cc1ccc(-c2cnc(NC(=O)CN3CCOCC3)s2)c(C)c1 332262818 FTHNETWGMAGFAN-UHFFFAOYSA-N 331.441 2.698 0 50 EFAA COc1ccc([C@@]2(C(=O)NCc3cnc(C)cn3)CC2(C)C)cc1 216371874 IMMSCIAMPCMPHJ-LJQANCHMSA-N 325.412 2.778 0 50 EFAA CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2cccc3ccoc23)C1 333023979 AEXGHTDUUAFDLA-KRWDZBQOSA-N 337.441 2.852 0 50 EFAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CC=CCC3)CC2=O)cc1C 77406690 LHXBFSKCGAPZOP-GOSISDBHSA-N 326.440 2.831 0 50 EFAA CCN(Cc1cc(C2CCCCC2)no1)[C@@H]1CCS(=O)(=O)C1 77390586 VNYJIUDDJOVCQR-CQSZACIVSA-N 326.462 2.731 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(-n3cccn3)nc2)CCO1 279694903 BDPPLYYMIRUCSN-CQSZACIVSA-N 329.404 2.546 0 50 EFAA C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(F)c2ccccc12 281070346 QJKLTGAEVAJSPZ-LBPRGKRZSA-N 335.400 2.628 0 50 EFAA Cc1nc(CN2CCCN(C(=O)N(C)C3CCCC3)CC2)cs1 241862491 SQKVFTSNJFIYFR-UHFFFAOYSA-N 336.505 2.954 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc4nc(S)oc4c3)[C@H]2C1 242304987 YTUQRSOWEDIGLE-XBFCOCLRSA-N 348.424 2.525 0 50 EFAA Cc1sc(NC(=O)CN[C@](C)(C(N)=O)c2ccccc2)c(C)c1C 173272746 LOFOWGRGARDCFC-SFHVURJKSA-N 345.468 2.602 0 50 EFAA O=C(NCCCc1nc2cc(F)ccc2[nH]1)[C@@H](O)c1cccc(F)c1 220272254 JMBUYVXNKOEPIN-KRWDZBQOSA-N 345.349 2.624 0 50 EFAA CC(C)Oc1ccc(N(C)C(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 284577704 GAUKUALELKIYOT-UHFFFAOYSA-N 339.457 2.792 0 50 EFAA COc1ccccc1N1CCC(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)CC1 174459000 XUIIWXZRDJSFNY-IYBDPMFKSA-N 343.471 2.961 0 50 EFAA Cn1cnnc1CC1CCN(Cc2coc(-c3ccccc3)n2)CC1 82157226 JAHJQWDDVMPAGX-UHFFFAOYSA-N 337.427 2.925 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 426510859 PRVFZSHPNPXXIQ-OAHLLOKOSA-N 338.411 2.829 0 50 EFAA O=C(NC[C@@H]1CC[C@@H](O)C1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 287789723 BEAOBOFDWFGTMW-XFKAJCMBSA-N 328.456 2.640 0 50 EFAA Ic1nn([C@@H]2CCCCO2)c2cccnc12 145557830 QHHOJYBMAQHTTB-VIFPVBQESA-N 329.141 2.735 0 50 EFAA CCn1ccnc1C1CCN(C(=O)COc2ccccc2OC)CC1 91665873 QPULBFJCEJDBAL-UHFFFAOYSA-N 343.427 2.697 0 50 EFAA c1ccc(CN2CCN(C[C@H]3CCOc4ccccc4C3)CC2)nc1 95509533 SDMJZZKZJHJLFM-SFHVURJKSA-N 337.467 2.841 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc(-c3ccccn3)n[nH]2)n1 97213069 DRZMULOBPMHKIC-NSHDSACASA-N 340.387 2.544 0 50 EFAA Cc1nccn1CC1(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)CC1 95387569 CKXSCXTUFOFKTD-QGZVFWFLSA-N 344.434 2.530 0 50 EFAA CC(C)(C)CC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 177511220 LTWXUDAJWWXYRI-CQSZACIVSA-N 341.448 2.778 0 50 EFAA CCCN1CCC(CC(=O)N2CCC(Cn3cc(C)cn3)CC2)CC1 95509669 HOGNRDAJZJGESD-UHFFFAOYSA-N 346.519 2.942 0 50 EFAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1cc2c(s1)CCCC2 91986749 ARXFXWFKMULWQI-GFCCVEGCSA-N 347.440 2.834 0 50 EFAA Cc1nc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cs1 96150481 RPLOGVQSXOWENG-OAHLLOKOSA-N 329.469 2.979 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CCN3CCCCC3)C2)cc1 95367436 GJSWGVYDXPHIQB-SFHVURJKSA-N 344.455 2.967 0 50 EFAA CCOC(=O)Nc1scnc1C(=O)NC[C@H]1COc2ccccc21 291786774 ASIYPBXTOYTHDM-JTQLQIEISA-N 347.396 2.618 0 50 EFAA CNC(=O)C1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1 179015530 BPYUJSQHJFFWND-UHFFFAOYSA-N 330.359 2.684 0 50 EFAA C[C@H](NC[C@@H](O)COC[C@H]1COc2ccccc2O1)c1ccccc1 245237086 FCYDSJVNZCQEOT-JQHSSLGASA-N 343.423 2.555 0 50 EFAA COc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1Cl 179309017 BZBFUCZFGYPJAP-UHFFFAOYSA-N 348.878 2.790 0 50 EFAA CCc1nnc(C)cc1C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C 292650967 XSBQWTQQXPLXFL-AWEZNQCLSA-N 342.418 2.837 0 50 EFAA COc1ccc2c(c1)N(C(=O)c1cnn(CC(C)C)c1)C[C@@H](C)O2 181187696 APNGFJYRGAMLOL-CYBMUJFWSA-N 329.400 2.975 0 50 EFAA O=C(Cc1cccnc1)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 252551053 TWJVWKHIDLNESE-CDXJDZJCSA-N 347.418 2.801 0 50 EFAA Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)nc(=O)[nH]1 181911098 CNDSFGAGNXUOIX-UHFFFAOYSA-N 342.580 2.747 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21 296946462 PXXUKCBHAAWYFK-ZUZCIYMTSA-N 334.445 2.868 0 50 EFAA NC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 299738450 AXAUIDGQJNPVNP-DRZSPHRISA-N 328.334 2.638 0 50 EFAA CN(C)C(=O)c1ccc(NCCc2nc3c(s2)CCCC3)nc1 270829013 TUFUILHYGSWISD-UHFFFAOYSA-N 330.457 2.773 0 50 EFAA CCc1cc(C(=O)N[C@H](C)c2nncn2C2CCCC2)cc(O)n1 299760924 QBXPEEJOXZPWCE-LLVKDONJSA-N 329.404 2.547 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(F)c(C)c3)[C@H]2C1 299776471 LEIBZQNFYZRCPD-HHXXYDBFSA-N 335.419 2.862 0 50 EFAA CC[C@H](c1nc(C(C)C)nn1CCO)N1Cc2ccccc2C1=O 828776937 MRHUGJDXFXSRDH-OAHLLOKOSA-N 328.416 2.501 0 50 EFAA Cc1noc(C)c1CCC(=O)NCc1nncn1C1CCCCC1 828032277 NTYBWLLBINHXBZ-UHFFFAOYSA-N 331.420 2.637 0 50 EFAA COc1cccc(N2CCC(N3CCC[C@H](c4nc[nH]n4)C3)CC2)c1 670469578 LTXDYKXIZIYPKP-HNNXBMFYSA-N 341.459 2.662 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)c2nc(N)nc3c2CCCC3)c1 952873071 UZZKQYNEFRSALE-MRXNPFEDSA-N 338.411 2.533 0 50 EFAA O=C(Cc1cccnc1)N(CCOc1ccccc1)C[C@H]1CCCO1 952983450 FGCRZDUURXQJDG-LJQANCHMSA-N 340.423 2.711 0 50 EFAA CCNC(=O)c1cc(NC(=O)c2cc(OC)ccn2)ccc1Cl 952962377 AZHVIDRROKLPIX-UHFFFAOYSA-N 333.775 2.746 0 50 EFAA O=C(NC[C@H](O)C1CCC1)Nc1cccc(Br)c1F 667919156 XCCXWMRCIUDGNY-NSHDSACASA-N 331.185 2.871 0 50 EFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@H]3O)cccc2c1C 408220532 XIVLTYDCBHEJHU-RCCFBDPRSA-N 342.439 2.787 0 50 EFAA COc1ccc(CN(C(=O)c2cc[nH]n2)[C@H](C)C2CC2)c(OC)c1 408515911 NHQTYPRDDSGTNA-GFCCVEGCSA-N 329.400 2.868 0 50 EFAA C[C@@]12CCCN1C(=O)N([C@H]1CCN(c3cccc(Cl)c3)C1)C2=O 272056293 BZSCNYARYFEJHY-YOEHRIQHSA-N 333.819 2.735 0 50 EFAA Cc1cccc(CC2CN(C(=O)c3cccc(OCC(=O)O)c3)C2)c1 659227532 DEECJKBYOVEBSF-UHFFFAOYSA-N 339.391 2.773 0 50 EFAA C[C@H](C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1)c1cccs1 275680102 QBADKJNNLZYLEE-KBPBESRZSA-N 345.468 2.993 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c(C)o1 276315843 NKYXTVCJYZEVMP-LSDHHAIUSA-N 346.431 2.629 0 50 EFAA O[C@H](COc1ccc(Cl)cc1)CN1CCC[C@H]1c1ncccn1 639839053 HETOYSXYVHDAOF-HOCLYGCPSA-N 333.819 2.707 0 50 EFAA CCc1ncnc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c1F 190446778 BISPCBBWGOEEIQ-OAHLLOKOSA-N 329.423 2.531 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 192045848 FXLDHSOVJOZRQN-WMLDXEAASA-N 348.834 2.738 0 50 EFAA CC[C@@H](NCC1(c2ccccc2Cl)CCOCC1)C(=O)OC 192846849 FHPQWBKVDMIJPD-OAHLLOKOSA-N 325.836 2.929 0 50 EFAA COCCCN(Cc1cccc(OC)c1)C(=O)c1cc(=O)cc(C)o1 1506407343 QUVNFQKQWYVXKI-UHFFFAOYSA-N 345.395 2.636 0 50 EFAA COc1ccc(NC(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)cc1Cl 1772712087 HGPURSWPETVZKA-ZYHUDNBSSA-N 337.807 2.576 0 50 EFAA COc1cccc(F)c1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772818591 HNDIZXYMDFYUJW-UHFFFAOYSA-N 337.354 2.973 0 50 EFAA CC(C)(C)CN1C[C@@H](NCc2cccn2-c2ccccn2)CC1=O 11821940 WGGUCXLTEDMYLN-HNNXBMFYSA-N 326.444 2.609 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 12138430 UDRAZIFMXBUIBA-UHFFFAOYSA-N 326.396 2.634 0 50 EFAA Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1-c1ccccc1 12274295 TWLYTHZYRASOMV-UHFFFAOYSA-N 336.351 2.599 0 50 EFAA CC(=O)C(=O)N(C)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 12468980 XFBLNLMHOFBZEN-MRXNPFEDSA-N 336.863 2.642 0 50 EFAA CCN(CC)Cc1ccc(OC)c(OC[C@@H](O)CN(CC)CC)c1 12596637 VIKNVJPMBZXGHJ-KRWDZBQOSA-N 338.492 2.619 0 50 EFAA Cc1ccc(CNC[C@@]2(O)CCCN(CC3CCCCC3)C2=O)o1 15073486 RQHZUAMAVJQWCE-IBGZPJMESA-N 334.460 2.611 0 50 EFAA CCOc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 19840865 CLJFVVIZCSBXGI-IBGZPJMESA-N 332.488 2.897 0 50 EFAA CCN1CCC[C@@H](c2nccn2-c2c(N3CCCC3)nn(C)c2C)C1 1857695088 TUDVBQCFIRAQQJ-MRXNPFEDSA-N 342.491 2.714 0 50 EFAA OCCOc1cccc(-c2nccn2[C@H](CO)c2ccc(F)cc2)c1 1857729699 IEVPEGCWNCGBSX-GOSISDBHSA-N 342.370 2.642 0 50 EFAA CN1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 121372523 VKRHWYHFCNXOQK-CVEARBPZSA-N 336.863 2.897 0 50 EFAA CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1c[nH]c(C(=O)O)c1 442253539 VXUZBZVTSMVEKP-UHFFFAOYSA-N 346.767 2.721 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc3ccc(C)cc3[nH]2)C1 779856441 SHNRZJBDVYQJKX-CZUORRHYSA-N 340.383 2.770 0 50 EFAA Cn1cc(CCNC(=O)N2CCCC[C@@H]2Cc2ccccc2)cn1 263838239 PKFIYHICNHQIRE-GOSISDBHSA-N 326.444 2.769 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)NCc2cscn2)n1 931208876 PWCDGCIFCZYHDS-UHFFFAOYSA-N 341.234 2.749 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)Nc1ccnc(N(C)C)c1 932173582 ZNGHLQIFRKFLDS-LBPRGKRZSA-N 339.399 2.522 0 50 EFAA C=CC(=O)N(C)CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 860180522 YMFWLQIODJZJQH-HNNXBMFYSA-N 328.412 2.584 0 50 EFAA CCS(=O)(=O)/C=C/C(=O)Nc1cc(Br)ccc1C 1875381812 IKSMIUFKLIPODK-VOTSOKGWSA-N 332.219 2.644 0 50 EFAA Cc1ccc2c(c1)N(C)CCN2C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875404357 GHEQXMUQYUAULI-OLZOCXBDSA-N 340.427 2.837 0 50 EFAA CC(C)(C(=O)NC[C@@H](O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 880832444 GXITXNRBQZCINZ-KGLIPLIRSA-N 345.361 2.639 0 50 EFAA CCc1oc2ccccc2c1CN1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 886094191 SAPAZONDDHTNKW-HNAYVOBHSA-N 340.427 2.738 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)nn1 888078601 AGPRVWZBCBXBNJ-CQSZACIVSA-N 334.782 2.758 0 50 EFAA Cc1nc(CN(Cc2ccccc2C(F)(F)F)C2COC2)n[nH]1 1775986408 YCBSRIISXSETOV-UHFFFAOYSA-N 326.322 2.533 0 50 EFAA CC(C)c1nc([C@H]2CN(C(=O)OC[C@@H]3CCCO3)C[C@@H]2C2CC2)n[nH]1 1775984786 NYGHKVUKWPAARQ-ZNMIVQPWSA-N 348.447 2.669 0 50 EFAA O=S(=O)(NCc1nc2cnccc2s1)[C@@H]1C[C@H]1c1ccccc1 1194858985 QGSKRBUHZDEIRF-SWLSCSKDSA-N 345.449 2.667 0 50 EFAA CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1O 44941180 HTDXSIZCZUGTAG-OALUTQOASA-N 330.472 2.661 0 50 EFAA Cc1cc(C)n2c(CNC[C@H]3CCc4cc(F)ccc4O3)cnc2n1 2325777844 JUYLGECKCWYECY-QGZVFWFLSA-N 340.402 2.969 0 50 EFAA O=C(N=c1cc2n([nH]1)CCC2)c1ccc(C(=O)Nc2ccccc2)cc1 2325786835 HXWLZLHSASEXOR-UHFFFAOYSA-N 346.390 2.756 0 50 EFAA Cn1nc(CSc2nnnn2-c2cccc(Cl)c2)cc1Cl 2325819607 KQISZWRRODTSSQ-UHFFFAOYSA-N 341.227 2.995 0 50 EFAA C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 874398572 MXAXRXJPMPHOPD-JLLWLGSASA-N 344.333 2.799 0 50 EFAA Cc1cc(NC(=O)CSc2nnc3sc4ccccc4n23)no1 91693 RQISEIXEGZOCSC-UHFFFAOYSA-N 345.409 2.971 0 50 EFAA O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 99171 UDRMXNDNRKZTRX-HNNXBMFYSA-N 340.404 2.690 0 50 EFAA Nc1nc(SCc2cc(O)n[nH]2)nc2sc3c(c12)CCCC3 1740646 GRBLJUNJLKBAAI-UHFFFAOYSA-N 333.442 2.873 0 50 EFAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3cc4ccccc4cn3)C[C@H]2CC1=O 2356147125 IYISGVVLQQSTEG-BBWFWOEESA-N 337.423 2.564 0 50 EFAA CCCOc1ccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 2826954 JSGGRQMZXAWAMH-UHFFFAOYSA-N 338.363 2.954 0 50 EFAA O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1cccc2ccccc12 3471260 ANFLIXLNSGXOAS-OAHLLOKOSA-N 347.370 2.876 0 50 EFAA COc1ccc2[nH]cc(CCNS(=O)(=O)Cc3ccccc3)c2c1 4487681 MGHVRUUNDIWVKD-UHFFFAOYSA-N 344.436 2.839 0 50 EFAA biogenic,in-vitro O=C(O)Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 6703602 PIIJDRZTDAOWMD-UHFFFAOYSA-N 338.363 2.915 0 50 EFAA CCCc1nc(C)c(CN2CCC[C@@H]2C(=O)NCc2ccco2)o1 428214309 CKCNHMCXBAMVGF-OAHLLOKOSA-N 331.416 2.809 0 50 EFAA Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C 247851793 VZQIECJQEVPFMD-ZIAGYGMSSA-N 328.453 2.675 0 50 EFAA COc1ccccc1CN(C(=O)[C@H](C)Cn1nc(C)nc1C)C1CC1 55197645 PUSQHTHIBNSPLP-CYBMUJFWSA-N 342.443 2.731 0 50 EFAA CCc1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1 9029218 MJDUAHVFQZHWNY-UHFFFAOYSA-N 334.788 2.619 0 50 EFAA O=C(c1ccccc1-n1cccn1)N1CCN(CC2CCCC2)CC1 20913142 OHWRGKUHHVEFQN-UHFFFAOYSA-N 338.455 2.820 0 50 EFAA C[C@@H](NC(=O)CCNCc1ccc2c(c1)OCO2)c1ccccc1 65456291 CKPGIDLKBTXPIF-CQSZACIVSA-N 326.396 2.772 0 50 EFAA C[C@@H](c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)N2CCCC2)cc1)N(C)C 102160992 KGTFFGSMGSOARF-KCUHQSDYSA-N 341.499 2.609 0 50 EFAA NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 229624012 KCIDUVHFRFTXGE-CRAIPNDOSA-N 334.423 2.969 0 50 EFAA CSc1nsc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)n1 120250323 FSFRNFCRGZTWLE-LLVKDONJSA-N 341.506 2.600 0 50 EFAA Cc1nc(NC(=O)c2cnc3sc4c(n3c2=O)CCC4)sc1C 61718779 HXPCFWMMTMYHQT-UHFFFAOYSA-N 346.437 2.570 0 50 EFAA CCc1ccc(CN2CCC(CNC(=O)c3ccncc3)CC2)nc1 67820526 RLYIHJMLGQYWED-UHFFFAOYSA-N 338.455 2.681 0 50 EFAA O=C1[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCN1c1ccccc1Cl 230154909 QWVOQRATQUDTLY-CRNXPOROSA-N 334.847 2.993 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCC[C@H]3Cn3cccn3)c(C)c2c1 67965284 TWGPHKAFTZPTSR-AWEZNQCLSA-N 338.411 2.986 0 50 EFAA CCSc1nnc(NC(=O)N2CCC(c3ccncc3)CC2)s1 330268687 IVSDXKDYTDKIBA-UHFFFAOYSA-N 349.485 3.457 0 50 EFAA CC(C)(C)c1cc(CNC(=O)c2cccc(Cn3cccn3)c2)n[nH]1 67818097 UZYFOJRZTGYETR-UHFFFAOYSA-N 337.427 2.882 0 50 EFAA CC(C)Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cc(O)n1 331997729 VCIXDFVYUKBWQW-ROUUACIJSA-N 340.423 2.934 0 50 EFAA CC(C)Oc1ccccc1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284456837 DNIPNGKDUSVTRV-PKOBYXMFSA-N 346.471 2.576 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC1C[C@@H]2CC[C@H](C1)N2 237243376 CMYWNNBAFVYSOZ-ZNXRZULTSA-N 338.455 2.751 0 50 EFAA COc1coc(C(=O)Nc2ccc3c(c2)[C@H](O)CC3(C)C)cc1=O 252499622 SCWRDTMXMRGTON-CQSZACIVSA-N 329.352 2.615 0 50 EFAA NC(=O)C[C@H]1CCCCN1Cc1cnn(-c2ccc(Cl)cc2)c1 120643978 UYIJTSWVEKKBQK-MRXNPFEDSA-N 332.835 2.756 0 50 EFAA O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2sccc2C1 252512774 VLPUOPJEDCQPJD-BMGDILEWSA-N 346.496 2.570 0 50 EFAA CCNC(=O)N1CCN(C(=O)Nc2c(C)cccc2SC)CC1 253420897 HEVXBQVUDPBOLV-UHFFFAOYSA-N 336.461 2.596 0 50 EFAA CCN1CC2(CCN(C(=O)c3sccc3Cl)CC2)CC1=O 72418208 XIMPBFHFUQDURK-UHFFFAOYSA-N 326.849 2.876 0 50 EFAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(C2CCCCC2)CC1 35800907 KYKVUWKIOHWLCU-UHFFFAOYSA-N 344.427 2.604 0 50 EFAA CSc1ncc(CN2CCC(c3nnc4ccccn34)CC2)cn1 216386370 QXDYDXSCFXDXDO-UHFFFAOYSA-N 340.456 2.621 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 156355559 QNSQLQNSCOSBNH-CJNGLKHVSA-N 334.435 2.952 0 50 EFAA CC(C)Oc1ccc([C@@H](O)CNC(=O)CCCn2cccc2)cc1 156424159 ZYPKSSPBCUUCGH-SFHVURJKSA-N 330.428 2.905 0 50 EFAA Cc1ccccc1[C@@H](NC(=O)c1cnc(N)nc1C)c1ccncc1 215140137 RYAAQRZQFVWGFN-KRWDZBQOSA-N 333.395 2.590 0 50 EFAA COc1cccc([C@](C)(CC(=O)O)NC(=O)[C@H]2Cc3ccccc32)c1 263277959 YGZBNXRMFMPBMU-PXNSSMCTSA-N 339.391 2.841 0 50 EFAA Cc1nc2ccccc2nc1CN1CC[C@H](C(N)=O)c2ccccc21 372276600 ADMBVPPFYUOXQR-HNNXBMFYSA-N 332.407 2.917 0 50 EFAA CCc1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)ccn1 72167535 QPGUWDLBZJCKKR-NRFANRHFSA-N 349.478 2.959 0 50 EFAA CC(C)c1ncncc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 343903958 HDKIRKUNXZSOKI-UHFFFAOYSA-N 343.337 3.521 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@H](Nc2cccc(F)c2)C1 72137198 BLYBUJIGADQGFV-AWEZNQCLSA-N 333.363 2.555 0 50 EFAA CC(C)n1ccnc1CN1CCC2(CC1)C(=O)N(C)c1ccccc12 72154870 HARHQHRNJZPZKZ-UHFFFAOYSA-N 338.455 2.974 0 50 EFAA COc1ccc2c(c1)N(S(=O)(=O)c1c(C)cccc1F)CCC2=O 375696040 DNPLPRDTOGLVQT-UHFFFAOYSA-N 349.383 2.924 0 50 EFAA O=C1CC[C@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCO 77438812 YCCKORRBRLTUCL-SFHVURJKSA-N 336.863 2.537 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 175600303 DFBBPLIWSNJXNL-SFHVURJKSA-N 340.471 2.692 0 50 EFAA CN(C(=O)C1CCC(F)(F)CC1)[C@H](Cc1ccccc1)C(=O)O 263448760 NSOVEIRQGOIOSP-CQSZACIVSA-N 325.355 2.966 0 50 EFAA Cc1nn(CCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(C)c1C 220619614 UZQNJMDVJNUYLM-NBYUQASBSA-N 345.487 2.908 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC(O)=Nc2cnccc21 329723735 FOOLDEOSIGARHS-UHFFFAOYSA-N 341.415 2.728 0 50 EFAA COc1cc(OC)cc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1 426361174 MEYYANHUTPUTAI-UCLAIMLFSA-N 349.427 2.502 0 50 EFAA O=C(NCCc1ccc2c(c1)CCO2)Nc1cccc(-n2ccnn2)c1 178245739 IQEZUZREVRMDEC-UHFFFAOYSA-N 349.394 2.566 0 50 EFAA Cc1cccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 195520681 GDNXRXXAOWNAEG-MRXNPFEDSA-N 326.444 2.791 0 50 EFAA Cc1csc(CN(C)c2cc(C3CC(N)C3)nc(C3CC3)n2)n1 223828912 JDGZXAQJJZVOEH-UHFFFAOYSA-N 329.473 2.960 0 50 EFAA C[C@H](NC(=O)c1nn(C)cc1C(=O)O)c1ccc(C(C)(C)C)cc1 20614876 ZMIVFOSBSWOSFN-NSHDSACASA-N 329.400 2.907 0 50 EFAA O=C(NCCCN1CCOCC1)[C@]1(c2ccccc2)CC12CCCC2 426552326 KXXAHYFJHJIGDV-OAQYLSRUSA-N 342.483 2.727 0 50 EFAA C[C@H]1CN(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CCCO1 179228243 DXEKECRPPSVTPR-KBPBESRZSA-N 344.415 2.661 0 50 EFAA NCCCOC1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 162256215 HTYKUJIUTBDMPS-UHFFFAOYSA-N 348.340 2.815 0 50 EFAA CCOc1ccc(OCC)c(S(=O)(=O)Nc2ncccc2C)c1 230514456 IQGKOTBXNPZVBH-UHFFFAOYSA-N 336.413 2.988 0 50 EFAA COC(=O)c1ccc(CNC(=O)c2ncccc2C(F)(F)F)cc1 179734140 PIXPSJCXZCTJEH-UHFFFAOYSA-N 338.285 2.817 0 50 EFAA COc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)CC2)cc1C 95379793 FMGOEIHKQSYUIJ-SFHVURJKSA-N 332.444 2.690 0 50 EFAA CNCc1nnc(SCc2cccc(C(F)(F)F)c2F)n1C 426526833 FYKFVACDJOHFLE-UHFFFAOYSA-N 334.342 2.985 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc[nH]c3C)C2)CCC1=O 91974134 MGLXQEDLQKAHAU-LJQANCHMSA-N 331.460 2.968 0 50 EFAA CCCc1nc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cs1 97797520 NYRNJNFWPRPDDX-HNNXBMFYSA-N 347.415 2.548 0 50 EFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)Nc1ccc(Cl)nc1 93923759 GPKBZZBLQNEWDV-GFCCVEGCSA-N 346.822 2.563 0 50 EFAA Cc1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)ccn1 91289495 CTKCVAKSYGIHRP-KRWDZBQOSA-N 343.471 2.968 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)CC1 95507013 SOGVSUQLNLTFKG-INIZCTEOSA-N 336.407 2.578 0 50 EFAA Cc1ccc([C@@H](C(=O)NCCCn2nccc2C2CC2)N(C)C)cc1 95380600 IASGBORYAYRRSN-IBGZPJMESA-N 340.471 2.878 0 50 EFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)N1CCCC1)CC2 97654071 KLZOYQRIIYABFJ-KRWDZBQOSA-N 341.455 2.683 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244817195 SVWNXCQHEVUVIG-IUUKEHGRSA-N 341.436 2.795 0 50 EFAA CN1CCC(N(Cc2ccncc2)Cc2cccc(C(=O)O)c2)CC1 243893742 ATNKCUOJYWOPGB-UHFFFAOYSA-N 339.439 2.876 0 50 EFAA Cc1cc(C)cc(CN2CC[C@H](CNC(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 247883209 CPBFJNNGQDMOAF-RLLQIKCJSA-N 344.499 2.793 0 50 EFAA O=C1[C@H]2[C@H]3O[C@@H](C4=C3[C@H]3CC[C@H]4C34CC4)[C@@H]2C(=O)N1c1ccccc1 257357807 PZSBPLIKRHADNC-YULKNUEKSA-N 333.387 2.690 0 50 EFAA CCc1nc(O)ccc1C(=O)N(C)Cc1n[nH]c2c1CCCCC2 1940195519 VAOGXYDVEKQZFG-UHFFFAOYSA-N 328.416 2.614 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(O)nc2C(C)C)C1 1940197308 HDIZOVFLUBEMTH-AWEZNQCLSA-N 347.459 2.631 0 50 EFAA O=C1C[C@H](C(=O)N2CCCN(c3ccccc3)CC2)C2(CCCC2)O1 828244565 PYUHENLCXAFQTR-QGZVFWFLSA-N 342.439 2.601 0 50 EFAA CCc1noc(CN(CC)C(=O)N[C@H](C)c2ccc(O)c(F)c2)n1 584900395 VPYUUNLUNHTJPM-SNVBAGLBSA-N 336.367 2.769 0 50 EFAA Cc1csc(CCCNC(=O)N(C)CCC[C@@H]2CCCO2)n1 584897286 AAJLADBQJNPYRP-CQSZACIVSA-N 325.478 2.985 0 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EFAA COc1ccc(-c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)cc1 951723448 KVMYDLKGVWZDMH-GFCCVEGCSA-N 329.429 2.671 0 50 EFAA Cc1cccc2c1CCN(Cc1cn(C)nc1C(F)F)[C@@H]2C(=O)O 1777458807 PKQOIKNYBPPDAX-HNNXBMFYSA-N 335.354 2.850 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc(F)c(F)cc2Cl)o1 275297115 HHYYGVWBQLCIQU-GFCCVEGCSA-N 343.717 2.523 0 50 EFAA COc1ccc2c(c1)C[C@H](N[C@H]1CCO[C@@H](c3cncn3C)C1)CC2 275513003 KMLJPCZCIDTDSX-FUHIMQAGSA-N 341.455 2.796 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)CCO1 276162275 GCYHMEIKTWQSJM-SJLPKXTDSA-N 325.412 2.559 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccc(Cl)o1 170068906 PPDMTELNKPIGBR-CYBMUJFWSA-N 348.786 2.782 0 50 EFAA Cc1cc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c(C)s1 408220426 WIIIIDZLKVJXFG-UHFFFAOYSA-N 343.392 2.755 0 50 EFAA COC(=O)c1ccc(NC(=O)N2CCSC(C)(C)C2)cc1OC 280480726 KIVWPQDJFVDPNF-UHFFFAOYSA-N 338.429 2.841 0 50 EFAA Cc1ccc(C2(C(=O)N[C@@H](C)c3cn(C)nc3C)CCOCC2)cc1 171776343 ARFMCMIQOBOOKI-HNNXBMFYSA-N 341.455 2.963 0 50 EFAA O=C(c1cccc2c1OCCO2)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225540941 NHZQFIXILWQXMI-GOEBONIOSA-N 343.354 2.545 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c(F)c1 225679376 QPAIGYIYVVQVIT-GUYCJALGSA-N 333.334 2.922 0 50 EFAA C[C@H](O)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 282404892 QMKGGECZKVOWMU-VFFTVRQLSA-N 341.810 2.786 0 50 EFAA Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)[C@@H](C)CO 282681681 AAFRGGCLABYGIP-QMMMGPOBSA-N 326.368 2.850 0 50 EFAA CCC1(CC)CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[S@]1=O 192496303 SEPRNLCDKQJKTM-JOCHJYFZSA-N 347.839 2.948 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(CO)cc2)C1 195267095 NQVBJXQZCMJSHG-GOSISDBHSA-N 345.512 2.898 0 50 EFAA COC[C@@H](CC(C)(C)C)NC(=O)[C@H](NC(=O)c1ccco1)C(C)C 654127508 JJRDXEFPXWOFHN-UKRRQHHQSA-N 338.448 2.601 0 50 EFAA O=C(C1=CCCCCC1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 681935717 OEKWUZMOOQQALN-OAHLLOKOSA-N 325.416 2.633 0 50 EFAA c1coc(CN2CCC(NC[C@@H]3COc4ccccc4O3)CC2)c1 1506396711 MWEFUWUGTLVYHK-QGZVFWFLSA-N 328.412 2.674 0 50 EFAA COc1ccc(CCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1OC 1529120839 ONHSHLNDOKZDHZ-WNKDZCFJSA-N 347.455 2.644 0 50 EFAA COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 110598593 ZONHEUJVSCBYSF-GTBWCPHDSA-N 335.469 2.956 0 50 EFAA CCc1cccc(OCCN(CC)C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)c1 1704307902 MBVJUHBQKQFYFG-NZSAHSFTSA-N 349.471 2.652 0 50 EFAA COc1cccc2c1C1(CCN(Cc3ncc(C)[nH]3)CC1)OCC2 1704340611 JMINLMGPKFWUIV-UHFFFAOYSA-N 327.428 2.791 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cc(O)ccc2C)n1 1772702922 MBHAAEUVCOHMQM-UHFFFAOYSA-N 325.290 2.748 0 50 EFAA COc1ccc(-c2[nH]ncc2CN[C@@H](C)CCn2cccn2)cc1F 11663261 KUNCSCATCYUPMC-ZDUSSCGKSA-N 343.406 2.989 0 50 EFAA CC(C)C[C@H](O)C1CCN(Cc2nc(-c3ccccn3)no2)CC1 12746172 USJDOUGDZZEDAJ-INIZCTEOSA-N 330.432 2.751 0 50 EFAA O=C(Oc1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12 13497459 RKOHKJVGKXONCD-UHFFFAOYSA-N 345.152 2.905 0 50 EFAA Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1Cl 15746055 FQQHNLGXEWTEMI-AWEZNQCLSA-N 331.823 2.868 0 50 EFAA CCOC(=O)c1ccc(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 16607241 PJOLKYAOMFLRSG-RBUKOAKNSA-N 346.379 2.891 0 50 EFAA Cc1ccc2ncnc(N[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2n1 1857711388 WPWVNFHBCBIQEO-OAHLLOKOSA-N 333.395 2.546 0 50 EFAA C[C@H]1CN2C[C@H](NC3CCN(c4cccc(Cl)c4)CC3)C[C@H]2CO1 1857720866 ODNYZYMPRBSYMA-YJLNNSPDSA-N 349.906 2.760 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225681368 WTZQCWDNZGXVSS-GJZGRUSLSA-N 329.327 2.503 0 50 EFAA Cc1ccc([C@H](C(=O)O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 4241784 CLCQDAVXBHICCA-OAHLLOKOSA-N 334.416 2.673 0 50 EFAA in-vitro Cc1cccc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1Br 119432677 HHRGWESVRCGTJT-CYBMUJFWSA-N 349.232 2.708 0 50 EFAA CC(C)(C)S(=O)(=O)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 124749160 VFTOPPFTVFYZCI-KRWDZBQOSA-N 346.452 2.501 0 50 EFAA Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@@H]3CC(=O)O)c2n1 646035725 RYOBGJVVELPLJZ-CQSZACIVSA-N 348.424 2.561 0 50 EFAA C[C@H](N=c1[nH]cnc2cc(Br)sc12)c1ccn(C)n1 651356569 KDMUOOACTFMHHP-ZETCQYMHSA-N 338.234 2.782 0 50 EFAA O=C(N1CCn2c(Cc3cccc(F)c3)nnc2C1)[C@@]12CCC[C@@H]1C2 652539551 JVQHCIJRYVLMTD-AUUYWEPGSA-N 340.402 2.540 0 50 EFAA CC(C)(C)CN1CCC[C@]2(CCN(C(=O)CCn3cccn3)C2)C1 12464223 PBVPWRXAMWVILO-IBGZPJMESA-N 332.492 2.634 0 50 EFAA CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)c1cccc(Cl)c1 241816011 SEWGCOZXHISKGV-QGZVFWFLSA-N 346.814 2.770 0 50 EFAA COc1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)ccc1F 343389107 CQPQMDZUGFIHPO-UHFFFAOYSA-N 340.354 2.616 0 50 EFAA CC[C@@H](SC)C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 344550908 LOYFSQCUQIKPFC-OLZOCXBDSA-N 341.477 2.919 0 50 EFAA CCn1nccc1CN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 352350019 OHQLRZLRCFUEHN-CYBMUJFWSA-N 334.851 2.866 0 50 EFAA Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 253426308 SNWILUZRBZAYBL-ZDUSSCGKSA-N 336.432 2.975 0 50 EFAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 262071878 CKSZVYQDFLZZAV-NSHDSACASA-N 325.411 2.529 0 50 EFAA Cc1ncc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(C)n1 157718560 NYCSICBKXUXGGV-ZIAGYGMSSA-N 341.459 2.564 0 50 EFAA Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)cnc1O 901906688 WFKDWYWUDYFWCD-UHFFFAOYSA-N 340.376 2.823 0 50 EFAA COC[C@H](NC(=O)c1c[nH]nc1C)c1cccc(Br)c1 828113179 VSTPHRYWMMQUPW-ZDUSSCGKSA-N 338.205 2.598 0 50 EFAA C[C@@H](Cn1ccnc1)NCc1cc2ncc(Br)cc2o1 2325777491 HFKPVGQPOLSTPZ-JTQLQIEISA-N 335.205 2.965 0 50 EFAA Cc1cnc([C@H](C)N2CC[C@H](NC(=O)c3ncccc3C)[C@@H](C)C2)o1 2325838986 FNRHYBOXYCRVHT-BPUTZDHNSA-N 342.443 2.888 0 50 EFAA COc1cc(CCNC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1C 119017636 JMHRGIBJGCMKKG-ZWKOTPCHSA-N 345.487 2.672 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 123775 UQOGSRQLZRQIPG-NSHDSACASA-N 336.347 2.512 0 50 EFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 270139 DIZVJEGNDUARFM-LLVKDONJSA-N 346.333 2.965 0 50 EFAA COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 2568833 XFDGBATZPBCUIN-UHFFFAOYSA-N 331.397 2.611 0 50 EFAA COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)O 4135270 PHUBZSORENWZOD-UHFFFAOYSA-N 347.392 2.535 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](NCC3CCCCC3)C2=O)cc1 4648936 UBMIZDUKPSXLTR-QGZVFWFLSA-N 330.428 2.887 0 50 EFAA CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccc1 4816336 ZDIOUYRXPOSOMG-UHFFFAOYSA-N 346.441 2.547 0 50 EFAA CC[C@H](C)Oc1ccc(CN2CCC(NC(C)=O)CC2)cc1OC 55197615 DUQHCWKJUOHADM-AWEZNQCLSA-N 334.460 2.973 0 50 EFAA OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CCN1C1CCCC1 23375077 XNQVNZFXNVMOFZ-IBGZPJMESA-N 327.472 2.979 0 50 EFAA COc1ccc(CN(C)Cc2c(C)nn(C)c2C)c(OC)c1OC 20599116 REVYNCSQJARQIF-UHFFFAOYSA-N 333.432 2.695 0 50 EFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(C(=O)O)CC1 55053289 KKAGQWVFUQYKAK-UHFFFAOYSA-N 338.791 2.625 0 50 EFAA Cn1nc(CC(=O)NCc2cccc3c2CCCN3)c2ccccc21 423635303 AAICIZVJDFMHEG-UHFFFAOYSA-N 334.423 2.790 0 50 EFAA OCc1csc(N2CCC[C@](CO)(CCc3ccccc3)C2)n1 67789025 SDUGMJJWULAIIW-SFHVURJKSA-N 332.469 2.847 0 50 EFAA C[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCN(C2CCC2)C1 429384258 SNMVWGIOWWULRC-GFCCVEGCSA-N 330.398 2.745 0 50 EFAA Cc1ccc([C@H](C)NCc2ccncc2O[C@H]2CCNC2)c(C)n1 864371497 PTEQJEUCNYZXPA-YOEHRIQHSA-N 326.444 2.685 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)C1 328612397 ORNZNYRYAJAMDZ-ZOBORPQBSA-N 347.440 2.840 0 50 EFAA Cc1cc(C)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)c(C)c1CO 63882965 KLJNIMJUNNCELF-HXUWFJFHSA-N 338.451 2.516 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc2c(c1)CC(=O)N2 123230445 GPGOHAXBTLEYTH-UHFFFAOYSA-N 340.383 2.793 0 50 EFAA CC[C@@H]1CN(C(=O)c2csc(C(C)(C)C)n2)C[C@@]2(CCOC2)O1 330049020 JACJNZZTOBKKGY-SJKOYZFVSA-N 338.473 2.851 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCc2csc(-c3cnccn3)n2)n1 67650729 PNBIVTGCTQTZLP-LBPRGKRZSA-N 328.445 2.592 0 50 EFAA COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1 372445 NXZFDXOORDLROU-UHFFFAOYSA-N 338.820 2.517 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(Br)cn1 284675724 XQDBXCDGORXVBP-GUTXKFCHSA-N 341.249 2.600 0 50 EFAA Cc1ncc(Br)cc1NC(=O)N1CC2(CCOCC2)C1 333243814 AGVYLANDIQIIMP-UHFFFAOYSA-N 340.221 2.797 0 50 EFAA CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 72437694 KWJBYVGMRGSHFJ-UHFFFAOYSA-N 348.406 2.886 0 50 EFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](CCO)C1 71315519 CSECPNLHUJZWDF-OAHLLOKOSA-N 336.819 2.887 0 50 EFAA CNCC1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)CC1 237093875 ILRWVVUZCOMVNQ-UHFFFAOYSA-N 346.862 2.906 0 50 EFAA Cc1c[nH]c(CN2CC[C@H](Cc3cccc(C(=O)O)c3)C2)c(C)c1=O 72151146 OXRCYRZDXPXVBU-MRXNPFEDSA-N 340.423 2.755 0 50 EFAA CCn1nnc(C)c1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 333673273 JGZWGXVNUFHVQZ-LLVKDONJSA-N 330.354 2.801 0 50 EFAA O=C1NC[C@@]2(CCCN(C(=O)Cc3c(F)cccc3Cl)CC2)O1 72174631 DHPTWJZKMVHLNL-INIZCTEOSA-N 340.782 2.513 0 50 EFAA Cc1cc2c(N3CCN(Cc4ccncc4F)CC3)ncnc2s1 449265288 PISXQXAXIGEMND-UHFFFAOYSA-N 343.431 2.856 0 50 EFAA Cc1nc(S(=O)(=O)N2CCCC[C@H]2c2cccc(F)c2)cn1C 72142143 IUMPEGDCCYYVPT-HNNXBMFYSA-N 337.420 2.784 0 50 EFAA NC[C@H]1CCCCN1Cc1cccc(OCCN2CCCCC2)c1 215654888 CDRUTSJXNLKVKN-LJQANCHMSA-N 331.504 2.865 0 50 EFAA COc1ccc(C(C)=O)cc1CN1[C@H](C(N)=O)C[C@H]2CCCC[C@H]21 252463446 SGGJTFUZVDFRBH-OIISXLGYSA-N 330.428 2.516 0 50 EFAA Cc1cc(C)c(S(=O)(=O)n2ccnc2C)cc1Br 36636417 QVASWJNISFUTDJ-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA COC(=O)c1cccc2c1OCCN2C(=O)c1ccnc(C2CC2)c1 241930388 UICRYMYKTWZKMS-UHFFFAOYSA-N 338.363 2.785 0 50 EFAA COc1c(C)cnc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1C 257365294 FNOJVQNTIRWTRG-QZTJIDSGSA-N 331.460 2.682 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)c1 77337960 VKFDTBCCQXZNLL-CQSZACIVSA-N 344.411 2.867 0 50 EFAA c1ccc(-c2ncsc2CNc2ncnc3c2CCNCC3)cc1 72435569 PBFWQWJBKRZTKF-UHFFFAOYSA-N 337.452 2.900 0 50 EFAA CCCN1CCN(C(=O)Nc2ccccc2-n2ccc(C)n2)CC1 151050091 HCVXVQAHENFRNI-UHFFFAOYSA-N 327.432 2.740 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(C/C=C/c3ccc(F)cc3)C2)nn1 285494665 MQTWVZJBFPZTFU-MEDHRJKHSA-N 344.434 2.995 0 50 EFAA CN1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 77379010 KVLQQYQUVJCJPT-GOEBONIOSA-N 327.453 2.510 0 50 EFAA C[C@@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCOCC1 77439928 DFDMFMNKLKCWPO-HNNXBMFYSA-N 342.443 2.674 0 50 EFAA CNc1nc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cs1 215106432 RFKQFPMSOSPPHT-UHFFFAOYSA-N 329.385 2.507 0 50 EFAA O=C(c1cncn1-c1ccccc1)N1CCC[C@H](OCC2CC2)C1 364844193 FWJLBZUHEZZTTJ-KRWDZBQOSA-N 325.412 2.904 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)C1 245992890 AOPWUYJSRBQCFW-BZSNNMDCSA-N 343.471 2.695 0 50 EFAA COc1csc(C(=O)NCc2cc3ccccc3n(C)c2=O)c1 343379051 ZBOYZOKWROKGQM-UHFFFAOYSA-N 328.393 2.539 0 50 EFAA COC(=O)c1c(CC(=O)N2C[C@H](C)CCC[C@H]2C)[nH]c(C(C)=O)c1C 134013728 KLJLRSJIYGFIAN-VXGBXAGGSA-N 348.443 2.892 0 50 EFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@@H](c2cccc(O)c2)C1 246881678 DKUMIMIRXPATGU-IIDMSEBBSA-N 332.444 2.555 0 50 EFAA COCCN1CCC(CN(C)c2cc(C(C)C)nc3ccnn23)CC1 72130663 AFDWYWCRVKQOOC-UHFFFAOYSA-N 345.491 2.647 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccnn1C1CCCC1 263269306 OPBPSILADZHZMN-NOLJZWGESA-N 331.416 2.856 0 50 EFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@H]2CC23CCOCC3)c1 158232564 FGBDIRSWQAIGHD-CQSZACIVSA-N 344.440 2.620 0 50 EFAA O=C(c1[nH]nnc1-c1ccccc1)N1CC(COc2ccccc2)C1 377163650 SARMUHMYICSKCX-UHFFFAOYSA-N 334.379 2.623 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 175600286 DFBBPLIWSNJXNL-GOSISDBHSA-N 340.471 2.692 0 50 EFAA Cc1cnn(C[C@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)c1 176050009 CNKXRYPSKYBCOV-MRXNPFEDSA-N 347.484 2.812 0 50 EFAA CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(C(F)(F)F)s1 290872803 BCILMKYNTUGFQS-SSDOTTSWSA-N 345.364 2.545 0 50 EFAA COc1cc(CN2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)ccc1C 426571551 CWSBLGVOQZLCOB-YSIASYRMSA-N 349.471 2.525 0 50 EFAA CCc1nccn1CCCNC(=O)c1ccc(-c2ncccn2)cc1 426661237 LQLJVWKHXBJDNC-UHFFFAOYSA-N 335.411 2.723 0 50 EFAA CCOC(=O)Nc1scnc1C(=O)NC[C@@H]1COc2ccccc21 291786777 ASIYPBXTOYTHDM-SNVBAGLBSA-N 347.396 2.618 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1Cc2ccccc2O1 83011512 NLQKHFWFTQUGFE-HNNXBMFYSA-N 328.437 2.984 0 50 EFAA O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1ccc(Cl)s1 222639464 FABQNBFLCXQNGA-WXRRBKDZSA-N 336.844 2.909 0 50 EFAA O=C(COc1ccc(F)cc1)N1CCC(OCc2ccccn2)CC1 221382529 FMHXHUVBFQRUKT-UHFFFAOYSA-N 344.386 2.807 0 50 EFAA COc1ccccc1Nc1nnc(SCc2nccc(N)n2)s1 162569747 QHEZNTFJJATWEQ-UHFFFAOYSA-N 346.441 2.955 0 50 EFAA CCCOC[C@@H]1CCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 95386571 OFULIEHFGLPXFM-MRXNPFEDSA-N 334.460 2.767 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCNc2cc(C)ccn2)N(C)C)c1 91444671 JOKVRQBBSHEHLH-SFHVURJKSA-N 326.444 2.529 0 50 EFAA CCN1CCC(CC(=O)NCc2nc(-c3ccccc3F)no2)CC1 95519579 LJVXCQKSDMQDET-UHFFFAOYSA-N 346.406 2.614 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)on1 95373135 VHASCKGRWJMTPH-OAHLLOKOSA-N 328.368 2.630 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)COC)CC2)C1 91452359 SXWDYGUDDPXUQD-GOSISDBHSA-N 330.472 2.751 0 50 EFAA Cc1cccc(Cn2nc([C@@H]3CCOC3)nc2-c2cnc(C)cn2)c1 96135828 XPFKATRHZFAUBY-MRXNPFEDSA-N 335.411 2.904 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 239308855 HANGWELBRLMRKY-AITUJVMLSA-N 331.371 2.642 0 50 EFAA CNC(=O)c1ccc(OC)c(C[C@H]2COc3c(cccc3OC)C2)c1 95372775 IBWXGPYEDDCMTR-ZDUSSCGKSA-N 341.407 2.857 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2csc3c2CCCC3)on1 95378976 ALFPDAQNDPHQFQ-WBMJQRKESA-N 346.452 2.911 0 50 EFAA Cc1ncsc1CCN(C)[C@H](C(=O)O)c1cccc2c1OCC2 95388191 VCQFYWVXSLJTQI-HNNXBMFYSA-N 332.425 2.687 0 50 EFAA COc1ccc(Sc2nsc(NC(=O)[C@H]3CCOC3)n2)cc1 267733874 HSZZABHXKQQDHC-VIFPVBQESA-N 337.426 2.673 0 50 EFAA Fc1ccccc1-c1noc(CCc2nc([C@H]3CCOC3)no2)n1 96159857 ULMGCTBAFHLSBC-JTQLQIEISA-N 330.319 2.548 0 50 EFAA COc1ccc(OC)c(NC(=O)CCN2CC(c3ccccn3)C2)c1 244574750 CQUOCZXKFNFWLW-UHFFFAOYSA-N 341.411 2.527 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCCOC2)nn1-c1ccccc1Cl 183200081 ZDKWJWXGADIJDY-ZDUSSCGKSA-N 333.819 2.991 0 50 EFAA Cc1nnsc1CNC(=O)c1ccc(CN2CCC(C)CC2)o1 252487712 IAIZXYXCRJIHHE-UHFFFAOYSA-N 334.445 2.601 0 50 EFAA Cc1cccc2c1CCN2S(=O)(=O)c1cnn(CC(F)(F)F)c1 184270888 XUBNSBGGHCGBAQ-UHFFFAOYSA-N 345.346 2.505 0 50 EFAA Cc1noc(CCNC(=O)C[C@@H](c2ccsc2)n2cccc2)n1 263588751 XYHBHJVORSOMBK-AWEZNQCLSA-N 330.413 2.579 0 50 EFAA CC(C)N1CCC[C@H]1CNC(=O)N1CCC(CCn2cccn2)CC1 827910257 KUUQYKMKWXBHKI-SFHVURJKSA-N 347.507 2.568 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)C[C@@H](C)n2ccnc2C)c1 670470883 HWTZUEANNAFLCP-CQSZACIVSA-N 328.416 2.596 0 50 EFAA C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 1875268436 QVEXVPRQTMKWDP-WCBMZHEXSA-N 328.401 2.561 0 50 EFAA COC[C@H](Cc1ccccc1)NC(=O)N1CCOC2(CCC2)CC1 1875278130 BKOBMURPWBENNN-KRWDZBQOSA-N 332.444 2.599 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@H]3C[N@]3CC3CC3)cc2)CC1 1875385236 PAOLCBGSVMVLDL-KNQAVFIVSA-N 326.440 2.795 0 50 EFAA Cc1cc(CN2CCOCC2)cc(C)c1OC[C@H]1C[N@@]1CC1CC1 1875384182 DGBVEYSKQADZBW-DENIHFKCSA-N 330.472 2.609 0 50 EFAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1ncc(C2CCC2)o1 1875399885 LJDUXYHSBRCBDA-JSGCOSHPSA-N 329.404 2.754 0 50 EFAA CC(C)N1CC[C@@H](NC(=O)[C@@H](C)CN)[C@@H]1c1ccc(Cl)c(F)c1 1875305810 IVQMCVHLGCTSNK-XZJROXQQSA-N 341.858 2.714 0 50 EFAA C[C@](O)(CNCC1CCCCC1)C(=O)N[C@H]1CCc2ccccc21 1875325978 IZPMHFZSMSBWAH-ICSRJNTNSA-N 330.472 2.711 0 50 EFAA CO[C@@H]1C[C@@H](CNC(=O)N2CCCCCC2)N(Cc2ccccc2)C1 1875336361 YAUVAGFKXSYLQF-RBUKOAKNSA-N 345.487 2.862 0 50 EFAA CCNC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1Cl 952986994 DIKDBZSRUHTWOW-UHFFFAOYSA-N 337.851 2.903 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nc[nH]n3)c2)nc1 890254529 DOMCVCOQZWXGBU-KRWDZBQOSA-N 349.394 2.853 0 50 EFAA CO[C@](C)(c1ccccc1)c1nc(-c2ccc(C)n(C)c2=O)no1 896227586 RWPZKKDBABFVGK-GOSISDBHSA-N 325.368 2.654 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(CCOc2ccc(Cl)cc2)C1 1775957677 HROUUBLKCLHOLG-LSDHHAIUSA-N 337.807 2.872 0 50 EFAA Cc1ocnc1CN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 1775998928 KVHXYNQPHSDONK-GXTWGEPZSA-N 333.457 2.881 0 50 EFAA COc1ccc(-c2nc(N=S(C)(C)=O)n[nH]2)cc1Br 1775987501 JTMSPGIMQFWJCT-UHFFFAOYSA-N 345.222 2.602 0 50 EFAA CC(C)c1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)n[nH]1 270926746 KVYYMWAMOHVDGX-UHFFFAOYSA-N 342.443 2.742 0 50 EFAA COc1cc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc(C)n1 225736609 WEVROPYPYSMPEI-UHFFFAOYSA-N 327.319 2.575 0 50 EFAA Cc1c(NC(=O)c2c[nH]nc2[C@H]2CCOC2)cnn1C1CCCC1 278053716 XGKNEJHOZAIZGO-LBPRGKRZSA-N 329.404 2.786 0 50 EFAA O[C@@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 170942162 KHGBIEYUGLHLIR-KRWDZBQOSA-N 341.386 2.823 0 50 EFAA O=C(Cn1cnc(-c2ccccc2)n1)NCc1nc2ccccc2s1 172027021 YXUSHIJNHKSDIM-UHFFFAOYSA-N 349.419 2.871 0 50 EFAA CC[C@]1(C(C)C)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 188211746 XUWBZGCWTGKDJZ-GOSISDBHSA-N 344.390 2.868 0 50 EFAA C[C@]1(Cc2ccccc2)CCCN1Cc1nnnn1CC(F)(F)F 191062495 XQUYGMIWAQBWFF-OAHLLOKOSA-N 339.365 2.833 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@@]2(CCOC2)C1 191269764 PLEHNTMKYRAZDF-GOSISDBHSA-N 326.400 2.825 0 50 EFAA CC(C)Cc1noc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)n1 191755272 HZUOEPAVHAXAML-MRXNPFEDSA-N 342.443 2.501 0 50 EFAA CCOC(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)c1ccccn1 195177545 MBBRCLWEBLLDNV-ZDUSSCGKSA-N 348.424 2.640 0 50 EFAA O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CCC1OCCO1 195565862 PXTKRJFYYZBJAF-UHFFFAOYSA-N 340.301 2.692 0 50 EFAA COc1cc(-c2noc(C[C@@H](n3cccn3)C(F)(F)F)n2)ccn1 656750386 MSTNENXJIOUNIE-SNVBAGLBSA-N 339.277 2.683 0 50 EFAA Cc1nn(C)c(NC(=O)c2cnn3ccn(C)c23)c1-c1ccccc1 1529113334 WWLZVEGMBKFIRG-UHFFFAOYSA-N 334.383 2.634 0 50 EFAA C[C@H]1OCCN(Cc2cc(F)ccc2Br)[C@@H]1C(=N)O 330538143 LAPDNCFHSGVCDZ-PELKAZGASA-N 331.185 2.713 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1onc3ncccc13)C2 1775981547 VYGAVIUBBLPGMI-UHFFFAOYSA-N 339.351 2.656 0 50 EFAA COc1cc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)ccc1F 1775983967 WWUSQZUYKBXRSE-SFHVURJKSA-N 329.375 2.678 0 50 EFAA CSc1nsc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 5059865 OPDDITMAIOGFTF-UHFFFAOYSA-N 341.439 2.689 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)[C@H]1CCCO1 11665276 DPLUHDTUTDKANA-LJQANCHMSA-N 337.423 2.757 0 50 EFAA CCCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12057169 YBHORYXBAYIVKT-HXUWFJFHSA-N 343.471 2.929 0 50 EFAA CCN(CC)C(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1 12155113 OHEULRRDMKMWCB-UHFFFAOYSA-N 347.488 2.659 0 50 EFAA O=C(NCCc1cscn1)c1cc(COc2cccc(F)c2)[nH]n1 12317002 IKPLVVRQJWGHHZ-UHFFFAOYSA-N 346.387 2.557 0 50 EFAA COc1cccc(CN[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 15066584 XZIOYAQYPADIDG-GOSISDBHSA-N 342.414 2.768 0 50 EFAA Nc1cc(O)nc(SCCOc2ccccc2Br)n1 16527199 NOQOMLHJFSVTOL-UHFFFAOYSA-N 342.218 2.698 0 50 EFAA c1cnc(N2CCC(Cn3cc(-c4ccsc4)nn3)CC2)nc1 19720532 TWTSZROBZXQDJZ-UHFFFAOYSA-N 326.429 2.713 0 50 EFAA Cc1ccc(-n2ccnc2-c2cc[nH]c(=N)c2)cc1N1CCCC1=O 1857682754 RMTOZLAGAZFYJN-UHFFFAOYSA-N 333.395 2.782 0 50 EFAA Cc1nnc(N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)s1 1857721986 BCZGMHWLHPXYRC-UHFFFAOYSA-N 343.456 2.704 0 50 EFAA CCN(CC)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 393627 ZXAZSOMSADQJHY-UHFFFAOYSA-N 325.412 2.974 0 50 EFAA in-vitro C[C@H]1C[C@H](N)CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 237600231 AESXIKQKSBKOBZ-SMDDNHRTSA-N 333.432 2.830 0 50 EFAA O=C(Cn1cc(Cl)cn1)N1CC2(CCOCC2)c2ccccc21 357164203 MFTZBOVTPZIRNB-UHFFFAOYSA-N 331.803 2.632 0 50 EFAA N[C@H]1CCCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 152163307 JCUFYJDRJPPACG-ROUUACIJSA-N 349.519 2.535 0 50 EFAA O[C@@H](CN1CCC(c2cccc3cnccc23)CC1)Cn1cccn1 369363589 RFZFXBMDEXALMJ-SFHVURJKSA-N 336.439 2.672 0 50 EFAA COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2cn3ccccc3n2)C1 495802702 IBHFTJPILGFBSP-KKUMJFAQSA-N 330.432 2.852 0 50 EFAA Cc1nc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)ccc1C(=O)O 907984148 PZQMHROMTCNEHR-DJJJIMSYSA-N 337.379 2.635 0 50 EFAA Cc1cccc([C@@H](NC(=O)CN2CCC[C@@H](C(=O)O)C2)C(C)(C)C)c1 909411622 CLOIYQWKVUYTDZ-SJLPKXTDSA-N 346.471 2.995 0 50 EFAA O=C(Cn1cnc(-c2ccccc2)cc1=O)N1C[C@H]2CCCC[C@H]2C1 821468422 YNLGKMJNIVGAGB-CALCHBBNSA-N 337.423 2.559 0 50 EFAA Cc1ccccc1[C@H](CO)NC(=O)c1cnc(O)c(C(F)(F)F)c1 935206774 QPGZYRDWCHLZAR-ZDUSSCGKSA-N 340.301 2.578 0 50 EFAA O=C(NCCCOCc1ccco1)c1ncccc1Br 231762582 ZNIASBDXIMSGEQ-UHFFFAOYSA-N 339.189 2.774 0 50 EFAA COc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)c(OC)c1 2040375871 UFERXBDWCJJQEC-UHFFFAOYSA-N 340.404 2.966 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC(F)F 123216 KOUYCXKLICMXNB-LBPRGKRZSA-N 342.367 2.644 0 50 EFAA O=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1 205487 UCGCUMYEUDKRMT-UHFFFAOYSA-N 341.330 2.592 0 50 EFAA Cc1ccc([C@@H](CC(=O)N2CCNCC2)c2ccccc2)c(O)c1C 213704 BRGBGTPPOGEBIZ-IBGZPJMESA-N 338.451 2.963 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1OC 249214 CRWSKLQVPWJMRR-UHFFFAOYSA-N 335.381 2.707 0 50 EFAA biogenic CCCN1CCC[C@@]2(CCCN2C(=O)c2c(CC)noc2C)C1=O 2356148277 OMXUICSGOBBXAM-GOSISDBHSA-N 333.432 2.553 0 50 EFAA CCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1OC 2813275 FUFKASFGWQOLNM-SSZFMOIBSA-N 342.395 2.975 0 50 EFAA CCN(CC)S(=O)(=O)c1cc(Br)c(C)cc1OC 4195626 VUDJVHZGAAAGGD-UHFFFAOYSA-N 336.251 2.797 0 50 EFAA CCOC(=O)c1ccc(N2C(=N)C(=O)N(c3ccccc3)C2=O)cc1 4476977 MDFBDWRLDNVBCM-UHFFFAOYSA-N 337.335 2.814 0 50 EFAA COC[C@@]1(C)CCN(C(=O)N[C@H]2CCc3cc(F)c(OC)cc32)C1 458746206 BFRQAWLPFJPIIJ-YJBOKZPZSA-N 336.407 2.890 0 50 EFAA CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 101460181 NSNGWOAXKWOINS-AZHAFVHUSA-N 331.368 2.549 0 50 EFAA CCOC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)[nH]c1=O 10339352 ZANZLGNBXTUQTP-UHFFFAOYSA-N 327.262 2.709 0 50 EFAA CC1(C)CC[C@@H](COC(=O)c2cccc(CN3CCCC3=O)c2)O1 170616652 PWFXCDHSDXQIIR-INIZCTEOSA-N 331.412 2.923 0 50 EFAA COc1ccc2sc(C(=O)N3CC[C@@](C)(C(N)=O)C3)c(C)c2c1 225446588 KDGRYLKVHNXPCR-QGZVFWFLSA-N 332.425 2.556 0 50 EFAA COCCc1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)cn1 22852416 UIVTZTGJHCBCIK-IBGZPJMESA-N 346.519 2.800 0 50 EFAA Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CCC[C@@H](C4CC4)C3)CCO2)cn1 227361629 RLHIAISBXCBXTG-SUMDDJOVSA-N 346.475 2.646 0 50 EFAA CCSc1nc(CC(=O)NCCc2nc(C)cc(C)n2)cs1 55132232 IBRYLRCAUQCQAB-UHFFFAOYSA-N 336.486 2.563 0 50 EFAA CC(C)CCN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@@H]1CCO 20997142 XAYNVQFUJZNPMX-IBGZPJMESA-N 336.524 2.523 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 347198532 NBHRSVLSAKONAQ-IPMKNSEASA-N 329.440 2.956 0 50 EFAA Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 20352885 HOWXAXKFHWLXSU-UHFFFAOYSA-N 344.436 2.743 0 50 EFAA O=C([C@@H]1CCCO1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20437011 NNCFACHDQZPJSD-HNNXBMFYSA-N 342.361 2.529 0 50 EFAA C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 252474788 MHZYAZDMVAMPHS-RSAASHCRSA-N 336.482 2.648 0 50 EFAA COCC(=O)NC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 67675914 UTYJYYJHNNYBPW-NSHDSACASA-N 331.243 2.578 0 50 EFAA Cc1cnccc1CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1 170600646 GPOQHBHWWUUWFZ-UHFFFAOYSA-N 331.803 2.683 0 50 EFAA O=C(c1ccc(NC2CC2)nc1)N1CCC(CCn2cccn2)CC1 67755318 IWWNKPRVSUDJCA-UHFFFAOYSA-N 339.443 2.795 0 50 EFAA CN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1OCC(=O)O 65435240 VZTJGIPKNZRLMN-HNNXBMFYSA-N 340.379 2.690 0 50 EFAA CC(=O)c1cccc(OCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 252506048 ONMKQEIVVXQLOB-UAGQMJEPSA-N 345.395 2.512 0 50 EFAA CCc1ccc(O[C@@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)F)cc1 1460486 STGJQSNAOHACSI-ZBEGNZNMSA-N 326.343 2.578 0 50 EFAA C[C@@H]1CCCCN1CCNC(=O)N(C[C@@H](O)c1ccccc1)C1CC1 229715119 HDHAMAWMAAKJPC-VQIMIIECSA-N 345.487 2.768 0 50 EFAA CCS(=O)(=O)c1ccc2oc(CN3Cc4cccnc4C3)nc2c1 253415636 MFYOAAIAAVXNGF-UHFFFAOYSA-N 343.408 2.532 0 50 EFAA CN(C)C[C@]1(O)CCCN(C(=O)c2cccc(-c3ccco3)c2)CC1 72164079 MTAYBXQXYKQXJG-FQEVSTJZSA-N 342.439 2.865 0 50 EFAA CCc1c[nH]c(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 129212126 SWFCWLRFCFGFEQ-HNNXBMFYSA-N 349.431 2.803 0 50 EFAA Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC3(CCOCC3)[C@H]2C)c1 374973034 OGHLJIJUGYEICZ-HZPDHXFCSA-N 344.455 2.531 0 50 EFAA COc1cc2c(cc1CN1CCCC[C@@H]1CN1CCOCC1)CCC2 77565808 NLIILWKVSVXRTA-HXUWFJFHSA-N 344.499 2.871 0 50 EFAA CC(C)c1ccccc1OCCNC(=O)N1CCC(C(=O)O)CC1 263152707 BHBATNGDZPZOIO-UHFFFAOYSA-N 334.416 2.695 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NCCSc3cn[nH]n3)c2c1 77524067 ZOROWNHSZVJYJY-UHFFFAOYSA-N 341.440 2.746 0 50 EFAA O=C1C[C@H](CN=c2cc[nH]cc2Br)c2ccccc2N1 376882744 UXAXWRJQBGTMRE-SNVBAGLBSA-N 332.201 2.804 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cc(C)c(C)[nH]c2=O)[C@@H](C)C1 77470328 IYEUUWKDAQDGEG-HNNXBMFYSA-N 339.439 2.651 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H]1c1ncc[nH]1 378407515 HYCAIBRQKZGLLG-ZDUSSCGKSA-N 326.356 2.872 0 50 EFAA CN(C)[C@H](CNC(=O)N1CCOc2ccccc2C1)c1cccs1 79570825 UJRKCFGDJYYPHD-OAHLLOKOSA-N 345.468 2.955 0 50 EFAA O=C(NC[C@@H](c1ccccc1)C1CCCC1)C1CCS(=O)(=O)CC1 71758775 UZDHQLSYEYMVPQ-SFHVURJKSA-N 349.496 2.901 0 50 EFAA CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C)cc(Br)c1 333926152 VEVQINHWQZCFMQ-OLZOCXBDSA-N 348.262 2.603 0 50 EFAA Fc1ccc([C@@H]2CN(c3cc(N4CCCC4)ncn3)CCO2)cc1 171675661 BJYADDPQNVKYDC-INIZCTEOSA-N 328.391 2.794 0 50 EFAA CN(c1cccnn1)C1CCN(C(=O)CCCC2CCOCC2)CC1 281186368 IBJDGOFFXZWDTP-UHFFFAOYSA-N 346.475 2.501 0 50 EFAA O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@H](c2nccs2)C1 171854797 ZIKKGSLNRHOMDH-HNNXBMFYSA-N 346.408 2.518 0 50 EFAA COc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)n1 171827015 JGIQWGQJHOFCNK-OAHLLOKOSA-N 327.432 2.745 0 50 EFAA CC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)s1 82126173 LJTLSAMKSQGANH-UHFFFAOYSA-N 342.380 2.668 0 50 EFAA O=C(O)CCCCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 263262258 GPLLRBKZKJBFCA-UHFFFAOYSA-N 346.358 2.619 0 50 EFAA Cc1nc2n(n1)CCN(C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C2 241383360 MURFDDDLIOSTKJ-JTQLQIEISA-N 348.476 2.627 0 50 EFAA CCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 241719780 QPMAUTQNYYEDBE-LBPRGKRZSA-N 342.461 2.710 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 284217361 FDVTXYFUGDRJPV-MRVPVSSYSA-N 347.749 2.671 0 50 EFAA OCCNc1nc(Nc2ccc3c(c2)OCCO3)nc2ccccc12 41150014 YZMFKOKWHVTIKA-UHFFFAOYSA-N 338.367 2.549 0 50 EFAA NCCc1nnc(SCc2cncs2)n1-c1ccc(F)cc1 426534505 SPVJXWDXUCSFOA-UHFFFAOYSA-N 335.433 2.656 0 50 EFAA Cc1ccc(C(=O)N2CCOCC2)cc1NC1CCC(C(=O)O)CC1 263466747 KFJFCOCABJTOJJ-UHFFFAOYSA-N 346.427 2.523 0 50 EFAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 284926304 CCZPJQOKIKPMFN-QRVBRYPASA-N 337.423 2.796 0 50 EFAA CCn1cnnc1NC(=O)C1(c2ccccc2Cl)CCOCC1 285921966 SZQIBEITRVYSCW-UHFFFAOYSA-N 334.807 2.638 0 50 EFAA C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cc1cccnc1 82107775 ZNXVLROREPWUGY-ZDUSSCGKSA-N 343.814 2.541 0 50 EFAA C[C@@H](Cn1cccn1)NC(=O)c1ccccc1OC(F)(F)C(F)F 223048631 WLHQRHMWCUKURN-JTQLQIEISA-N 345.296 2.938 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)N1CCC(O)(c2ccccc2)CC1 95370659 LBGTZQRJGPSZRP-GOSISDBHSA-N 330.472 2.761 0 50 EFAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N3CCCC3)c2n1 20602456 WAZLQTWZHIGLTK-UHFFFAOYSA-N 326.322 2.689 0 50 EFAA CC(=O)N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1c1ccc(C)o1 95506542 KWGBWPYEDOVRJS-QZTJIDSGSA-N 346.402 2.710 0 50 EFAA CCCCSc1ncc(CN2CCC(c3nc[nH]n3)CC2)cn1 97117608 BEDLSIMYJIKZPY-UHFFFAOYSA-N 332.477 2.867 0 50 EFAA CCOc1ccccc1CN(C)C(=O)NCCSc1nccn1C 426728268 LDCDAAQLBVUPKG-UHFFFAOYSA-N 348.472 2.753 0 50 EFAA COc1ccc([C@@H]2CN(C3CCOCC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95365524 ZSEXADPTURXBPI-PWRODBHTSA-N 342.483 2.736 0 50 EFAA CCc1ncc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cn1 95376643 BFHWIOGHQJOUBM-UHFFFAOYSA-N 327.413 2.763 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)NCc2ccc3nonc3c2)c1 91756488 XYWPGAHDRLJNDJ-UHFFFAOYSA-N 349.350 2.552 0 50 EFAA CN1CCN(C)C2(CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)C1 248027579 NBUVWLFGXKHRJZ-GOSISDBHSA-N 347.503 2.733 0 50 EFAA CCc1cc(C(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@H](O)C2)cs1 252523149 BZEOCHPVCWCFTD-JDFRZJQESA-N 346.452 2.956 0 50 EFAA CN1CCN(CCCSc2nnc(CCC3CCCC3)[nH]2)CC1 181317297 OISRYNNGCXITFD-UHFFFAOYSA-N 337.537 2.657 0 50 EFAA Cc1cccc2c1CC(C)(C)N(C(=O)Cc1ccc(C(N)=O)cc1)C2 296198863 MPCDNQJCXRDFOB-UHFFFAOYSA-N 336.435 3.000 0 50 EFAA O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 297163020 VHXWOBINONWPNB-KCCGOUDNSA-N 339.439 2.765 0 50 EFAA O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 182850118 QLJBPDOIMCFBCQ-CYBMUJFWSA-N 341.342 2.639 0 50 EFAA CCCOc1ccccc1[C@@H](C)NC(=O)N1CCCN(C(C)=O)CC1 534651203 BRSIQBKOTOZSNR-OAHLLOKOSA-N 347.459 2.800 0 50 EFAA Cc1ncn(CCNC2CCN(CCc3ccccc3)CC2)c1C 670453124 ZXSACKFTKGUSAB-UHFFFAOYSA-N 326.488 2.797 0 50 EFAA O=S(=O)(CC1CCCC1)NCCN1CC[C@@H](c2ccccc2)C1 670436359 MJBBZMALMMNCFR-GOSISDBHSA-N 336.501 2.586 0 50 EFAA O=C([C@@H]1CC=CCC1)N1CCC(n2cnc3ccccc3c2=O)CC1 1348113338 GGEAUCWTJLDOED-OAHLLOKOSA-N 337.423 2.916 0 50 EFAA O=S(=O)(C[C@H]1CC2(CCC2)CO1)NCc1cc2ccccc2o1 1364781689 CPNPOMJWSVVVER-OAHLLOKOSA-N 335.425 2.811 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc2sc(N)nc12 952971142 RDSBEEVXYPNDCB-GRYCIOLGSA-N 348.472 2.623 0 50 EFAA CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)Cc1ccno1 1434550583 XHCZQJQEBWFKLC-UHFFFAOYSA-N 336.291 2.539 0 50 EFAA C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1COc2ccccc21 305326073 MEERTRYWJWLHRJ-UXDKQJBESA-N 338.407 2.509 0 50 EFAA COc1ccc(NC(=O)COc2cn(C(C)(C)C)nc2C(C)=O)cc1 408516257 OQLYOLJJMUYPFD-UHFFFAOYSA-N 345.399 2.867 0 50 EFAA O=C([C@@H]1CCCNC1)N(CCc1ccccn1)Cc1ccc(F)cc1 167289001 ZAGAGBRQXPUMJR-QGZVFWFLSA-N 341.430 2.792 0 50 EFAA COc1ccc([C@H](C)CNC[C@@H]2CCO[C@H]2c2ccnn2C)cc1 275359157 ASUBCCLZMOUIJJ-SIXWZSSISA-N 329.444 2.900 0 50 EFAA CC1(C)[C@H]2CC=C(COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)[C@@H]1C2 170593105 QKMNDRCSCWNVAZ-UYAYXHRUSA-N 335.469 2.976 0 50 EFAA COc1ccc(-c2nccc(N3CCC([C@H]4CCNC4)CC3)n2)cc1 634809397 RDXHLNNXXFIRMH-KRWDZBQOSA-N 338.455 2.978 0 50 EFAA O=C(O)c1cc2cc(NC(=O)c3n[nH]c4c3CCCC4)ccc2o1 685020799 DUFFXAZJGCPMCY-UHFFFAOYSA-N 325.324 2.985 0 50 EFAA CC(C)(NC(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 191499362 WOODDRDZHDYQFO-UHFFFAOYSA-N 332.322 2.862 0 50 EFAA C[C@@H]1CSCCN(C(=O)NCc2ccnc(OCC3CC3)c2)C1 192326159 NFPAIYYXBQQRLM-ZDUSSCGKSA-N 335.473 2.765 0 50 EFAA CC(C)c1cccc(OCC(=O)N2CCC(c3nncn3C)CC2)c1 192752804 SXRIRWPBXQAWIE-UHFFFAOYSA-N 342.443 2.724 0 50 EFAA C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)CC[C@H]1c1ccccc1 648302768 YQJMPXZSVUNCTC-RHSMWYFYSA-N 338.455 2.887 0 50 EFAA O=C(Cn1nccc1-c1ccncc1)N1CCC[C@H](C(F)(F)F)C1 193615369 PRCNEMLPDWSSED-ZDUSSCGKSA-N 338.333 2.746 0 50 EFAA CC[C@H]1C=CCN1Cc1cc(-c2cnccn2)ccc1OCC(=O)O 1506402144 IXSPCKGGGJCSLE-INIZCTEOSA-N 339.395 2.757 0 50 EFAA O=C(CCCc1ccc(Cl)cc1)N1CCNC(=O)C12CCCC2 1506415459 OSFBBKGGSUEKQX-UHFFFAOYSA-N 334.847 2.934 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2(C)CCCC2)OCC(=O)N1C 1529158730 JSYKDRLNDRKYNR-MSOLQXFVSA-N 344.455 2.590 0 50 EFAA CN(C)c1nccnc1N1CCC(N(C)Cc2ccccc2)CC1 1529182571 UUPZEQSTHOZGSM-UHFFFAOYSA-N 325.460 2.643 0 50 EFAA COc1ccc(CC(=O)N2CCC3(C=C(C)CCO3)CC2)cc1OC 1704342807 FBMUFKLOLUCVIC-UHFFFAOYSA-N 345.439 2.974 0 50 EFAA COC(=O)CC[C@H](C)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 11819952 KDMILPMEJAJJSX-ZDUSSCGKSA-N 343.427 2.785 0 50 EFAA O=C(NCCC1CCCCCC1)c1cc(CN2CCC[C@@H](O)C2)on1 11839348 JAMRPLLGBHXVRQ-MRXNPFEDSA-N 349.475 2.722 0 50 EFAA CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCCO3)c1C(N)=O 13326115 RCLKCBVLOKZVGH-UHFFFAOYSA-N 346.408 2.741 0 50 EFAA CC(C)c1ccc(CN2CCC[C@](O)(CNC3CCC3)C2=O)cc1 14954309 OXLZUSPWFVCCLZ-FQEVSTJZSA-N 330.472 2.806 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 19841927 RONFMTRDXOIGAY-UHFFFAOYSA-N 342.414 2.857 0 50 EFAA Cc1[nH]ccc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532082 ZSFYMIXWFSDSQE-SCLBCKFNSA-N 326.400 2.777 0 50 EFAA CN1CCC(Cn2ccnc2-c2nccn2C)(c2ccccc2)CC1 1857679698 QUOVFWOZGCIKCC-UHFFFAOYSA-N 335.455 2.947 0 50 EFAA CCCCn1nc(-c2ccc(F)c(F)c2)nc1[C@H]1C[C@@H](N)[C@H](O)C1 1857719644 QKBRMSCLPXWCJD-NILFDRSVSA-N 336.386 2.589 0 50 EFAA Oc1nc(N2CCN(c3cc(F)ccc3F)CC2)nc2ccccc12 301529557 HECQLOXTWXSJFF-UHFFFAOYSA-N 342.349 2.940 0 50 EFAA COc1ccc(Cl)c(S(=O)(=O)N(CCO)c2ccccc2)c1 112266248 BJIRDRIQXAKPCS-UHFFFAOYSA-N 341.816 2.536 0 50 EFAA C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)O)c2)Cc2ccccc21 736812572 BVAOCKOONSGMJB-CYBMUJFWSA-N 345.420 2.834 0 50 EFAA O=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 339779915 HURMJMUBGPUQIW-CABCVRRESA-N 349.793 2.621 0 50 EFAA COc1ccccc1C1(C(=O)NCc2ccc(C(=O)O)cc2)CC1 262654597 SLFPNDZIQMAVLO-UHFFFAOYSA-N 325.364 2.741 0 50 EFAA CC(C)(C)OC(=O)NCc1cccnc1NC(=O)Cc1ccoc1 497315436 PXGQMJOWXLYUQU-UHFFFAOYSA-N 331.372 2.881 0 50 EFAA CC(C)Cc1noc(Cn2nc(C(F)(F)F)c3c2CCOC3)n1 901919552 RGKVSZNARJUGOV-UHFFFAOYSA-N 330.310 2.604 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2ccc(C)cc2C)CC[C@H]1O 1704329672 XVGMLFGZZQMWDW-MJGOQNOKSA-N 335.444 2.620 0 50 EFAA C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1nccc(N)n1 918737057 AROCODTWJPHNMC-AWEZNQCLSA-N 339.443 2.784 0 50 EFAA CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@@]1(C)Cc1cccs1 931755786 BYTZTHYQHPRESQ-INIZCTEOSA-N 333.461 2.719 0 50 EFAA C[C@H]1CC[C@H](NC(=O)NCc2cnc(Br)cn2)CC1 864095342 FWDMQTKUZRSVLI-MGCOHNPYSA-N 327.226 2.617 0 50 EFAA CN(C)c1ccc([S@](C)(=O)=NC(=O)CCC2CCOCC2)cc1 864094258 NCDDCUKHNMKJDM-QHCPKHFHSA-N 338.473 2.943 0 50 EFAA O[C@@H]1C[C@@H](c2nc(C3CC3)no2)C[C@@H]1CNc1ccc(Cl)cn1 952850093 YLDGNLDRDSMPQF-DMDPSCGWSA-N 334.807 2.962 0 50 EFAA Cc1cc(C(C)C)nc(NC[C@H]2C[C@H](c3nc(C)no3)C[C@H]2O)n1 952889665 JFFDQTZSMYZMEQ-GZBFAFLISA-N 331.420 2.566 0 50 EFAA O=C(Nc1ccc2ncccc2c1)C1CC2(C1)[C@H](C(=O)O)C2(F)F 1875296579 DRSBVEOOCXWZJZ-QCIACWGRSA-N 332.306 2.919 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)NC[C@H](C)C(F)(F)F)sc2n1 1875262444 NNYGVUFKSNCNOI-YFKPBYRVSA-N 332.351 2.819 0 50 EFAA CC(=O)N1CC[C@@]2(CCCN2C(=O)c2ccc(C)c3c2CCC3)C1 1875349733 KNKNELXDOQEKHJ-FQEVSTJZSA-N 326.440 2.711 0 50 EFAA CC(C)C(=O)N1CCCC[C@@H](Cn2cc(-c3ccccn3)nn2)C1 1875323912 WJUOJRXFSJHVBZ-OAHLLOKOSA-N 327.432 2.625 0 50 EFAA O=C(NC1CC(Nc2cc(F)ncn2)C1)[C@]12CCCC[C@@H]1C2(F)F 1875406452 DSUNBWSAGSTGHJ-VDKCPCOOSA-N 340.349 2.500 0 50 EFAA Cc1nccc(N2CCN(c3ccc(-c4ccncc4)cn3)CC2)n1 893172466 QXNXZKMYPBZNBI-UHFFFAOYSA-N 332.411 2.569 0 50 EFAA CN(Cc1ccccc1OCc1ccccc1)C[C@H](O)CC(=O)O 1777076957 BBDKHHRWKJZRCC-QGZVFWFLSA-N 329.396 2.533 0 50 EFAA CN1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[C@@H](N(C)C)C3)c2)C1 2325758928 JBOVKOYIIQDNNT-CEXWTWQISA-N 329.488 2.708 0 50 EFAA NC[C@H](C(=O)N1CCC[C@H]([C@@]23CC[C@H]2CCN3)C1)C1CCCCCC1 2325769066 DOERIMDPMKKUDI-VNYTWHDVSA-N 347.547 2.912 0 50 EFAA Cc1nn(C2CCOCC2)cc1CN1CC[C@@H](Oc2ccncc2)C1 2325779272 UDIAYAIYYCGCSJ-LJQANCHMSA-N 342.443 2.591 0 50 EFAA CN(C)[C@H]1CC[C@@H](C(=O)NCc2cccc(N3CC=CC3)c2)CC1 2325784777 IVVCTAUIITZBJT-HDICACEKSA-N 327.472 2.799 0 50 EFAA C[C@H]1C[C@@H]1c1nnc2ccc(Oc3ccc4c(=O)cc[nH]c4c3)nn12 2325869191 BUDJNKNWOHYATM-GWCFXTLKSA-N 333.351 2.882 0 50 EFAA COc1ccc(C[C@H](C)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)c(C)c1OC 866444737 CKKKSUPGSWJYCF-GSKHPJBZSA-N 331.456 2.956 0 50 EFAA CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N2CCCCC2)[C@@H]1O 293711 HZFAZVKVQKOGJZ-WMZOPIPTSA-N 329.396 2.852 0 50 EFAA biogenic COc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 302959 SZWYYTQJBAYCOL-UHFFFAOYSA-N 344.386 2.562 0 50 EFAA O=C(c1ccc(OCc2ccc3cc[nH]c3n2)cc1)N1CCOCC1 2356147190 MHLPZXYPSKHKSC-UHFFFAOYSA-N 337.379 2.614 0 50 EFAA COCCN1CCC[C@]2(CCCN2Cc2cccc3[nH]ccc23)C1=O 2356148916 ZWQMFKGVMFZANX-FQEVSTJZSA-N 341.455 2.771 0 50 EFAA COC1(c2ccccc2)CCN(C(=O)CCc2ccnn2C)CC1 2356163958 YKANCWRNKFXHKA-UHFFFAOYSA-N 327.428 2.517 0 50 EFAA COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1 4271638 DPVVYPQIIZSSEG-UHFFFAOYSA-N 332.444 2.794 0 50 EFAA O=C(O)c1ccn(CC(=O)N(Cc2ccccc2)c2ccccc2)n1 20615237 PTMGHKHCTFWTOZ-UHFFFAOYSA-N 335.363 2.815 0 50 EFAA CC[C@H](NC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1)c1noc(C)n1 221864367 YAXJPOWEPZFPCB-TUKIKUTGSA-N 332.404 2.641 0 50 EFAA CN(C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCSC1 222150200 LONBNUCQRBRPTG-DFBGVHRSSA-N 342.411 2.942 0 50 EFAA CN(C)c1ncc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)s1 421375028 OLESUXSHSBWQTL-KRWDZBQOSA-N 335.448 2.528 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)nc1 225681943 MXHHJHDTKWRSGY-QAPCUYQASA-N 344.386 2.956 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)N(C)Cc2noc(C)n2)cc1C 55392957 SUWUAGWLHPNFQV-UHFFFAOYSA-N 345.399 2.707 0 50 EFAA CN1CCO[C@@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 105279929 MVZSORIDAYFVDV-IBGZPJMESA-N 345.487 2.514 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 67723474 FKSCTCYFSOKJMN-KRWDZBQOSA-N 344.503 2.923 0 50 EFAA Cc1cc(CNC(=O)N[C@H]2CCN(c3ccccc3F)C2)cc(C)n1 420832455 BFXNTHGZEOVSFO-INIZCTEOSA-N 342.418 2.916 0 50 EFAA Cc1cccc(N2CCN(CCC(=O)NCc3ccco3)CC2)c1C 65525833 SDNOQBOIIIGEKE-UHFFFAOYSA-N 341.455 2.725 0 50 EFAA Cc1nc(CCN[C@@H]2CCOC3(CCOCC3)C2)nc2c1CCCC2 77323037 CUZHWRRGUDMDOR-MRXNPFEDSA-N 345.487 2.524 0 50 EFAA CCc1nnc(CNC(=O)c2cnc(Nc3ccccc3)nc2)s1 65491251 FUDTZFPOKRISTG-UHFFFAOYSA-N 340.412 2.564 0 50 EFAA O=C1CC2(CCN(C3CCN(c4cccc(Cl)c4)CC3)CC2)CN1 77406784 ATXVWTMUIQKLPF-UHFFFAOYSA-N 347.890 2.911 0 50 EFAA CSCC[C@H]1c2[nH]cnc2CCN1Cc1ccc(C(=O)O)cc1 67432234 SEEQCKUTBKVIAU-HNNXBMFYSA-N 331.441 2.960 0 50 EFAA CCN(C[C@@H]1CCOC1)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 252463437 RGCCNXMJCCFDSF-JKIFEVAISA-N 330.428 2.780 0 50 EFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)C[C@H]1CCCNCC1 423764789 SZIMFMWMZOWXAJ-HNNXBMFYSA-N 328.460 2.734 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cccc2ccnn12 72423152 STMKRJXWODFHNE-UHFFFAOYSA-N 331.379 2.792 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cnns1 253426139 IWJPBDYFQTZFPQ-HNNXBMFYSA-N 329.381 2.546 0 50 EFAA CN(C)Cc1nnc(C2CCN(C(=O)C3CCCCCC3)CC2)n1C 77407141 KILIXYSXCAWQKX-UHFFFAOYSA-N 347.507 2.553 0 50 EFAA CSCCCN1CCC(Oc2ccccc2F)(C(=O)O)CC1 72424044 UARVFGHPOMMLKY-UHFFFAOYSA-N 327.421 2.877 0 50 EFAA COc1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)c(C)nn1C 257365845 UTQPTDLLXZVVNY-MCIONIFRSA-N 329.400 2.797 0 50 EFAA CCc1nc([C@@H]2CCCN(C(=O)CO[C@@H]3CCCC[C@H]3C)C2)no1 257365409 FCXVAONIQHPEBZ-RBSFLKMASA-N 335.448 2.933 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n[nH]1 124918865 NITPBQWZUMDWOE-CYBMUJFWSA-N 346.818 2.722 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCCN2CCCCCC2)c1 72408796 CTSQNDIHNWKATC-UHFFFAOYSA-N 332.488 2.996 0 50 EFAA Cc1ccc([C@H](CNC(=O)N2CC3(CCOCC3)C2)N2CCCC2)o1 368298463 GKEWQSSGYCXMSI-INIZCTEOSA-N 347.459 2.547 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3cn(C)nc3C)C2)CCC1=O 77419892 APAZMUQJCYMGJG-IBGZPJMESA-N 332.492 2.733 0 50 EFAA Nc1nc(N2CCC[C@@H]2/C=C/c2cccs2)cc(-n2cccn2)n1 368780598 WPRARDBWIDWWQP-KTRBRXNASA-N 338.440 2.988 0 50 EFAA CC1(C)O[C@H](COC(=O)c2ccccc2)[C@H](C(=O)c2ccoc2)O1 71786958 IWEGJKWNPQDLQU-GDBMZVCRSA-N 330.336 2.839 0 50 EFAA N[C@H]1CCCN(Cc2ccccc2OCCCN2CCCCC2)C1 215359649 OBABKBYTMHFRQI-IBGZPJMESA-N 331.504 2.865 0 50 EFAA CSc1nsc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)n1 157010445 ZZIWIQOJKQRBEG-SECBINFHSA-N 342.471 2.927 0 50 EFAA COc1cccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc12 15951944 LTYISTHSKSHJCM-UHFFFAOYSA-N 326.327 2.990 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)c(C)n1C 223290760 NQTDHWXAEAPJNI-KRWDZBQOSA-N 327.428 2.858 0 50 EFAA C[C@@H](CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1)C(=O)O 237468162 ZZRVMTCEFIUFCA-NSHDSACASA-N 333.432 2.841 0 50 EFAA O=C(c1ccccc1)N1CC[C@@H](Cn2cnc(-c3ccccn3)n2)C1 282269658 TUZWIBDXJGIBFF-OAHLLOKOSA-N 333.395 2.502 0 50 EFAA C[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1 337116874 ZMGMXWILPSVXCY-UWVGGRQHSA-N 326.322 2.815 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)c1ccccc1S(C)(=O)=O 240707704 HPXUBAICQFDJOR-ZDUSSCGKSA-N 345.420 2.513 0 50 EFAA C[C@H](N[C@H]1CCc2ccc(Br)cc21)C(=O)NCCF 338020615 MKAFFXKOTRTGGB-ZANVPECISA-N 329.213 2.500 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)c2cc(N(C)C)nc3ccccc23)c2nccn21 456414216 IPGKJYYJMOGWHD-MLGOLLRUSA-N 335.411 2.933 0 50 EFAA Cc1cc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)sc1-c1ccccc1 426488107 DFLXCDBWZQERKC-CABCVRRESA-N 330.453 2.518 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c(C)o1 223538709 HFJNTTGTBQBLPY-IAGOWNOFSA-N 348.399 2.605 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 263508642 WRPDVANLFVULHI-INIZCTEOSA-N 348.790 2.854 0 50 EFAA O=C(c1cc2cc(F)ccc2o1)N1CCC(O)(CN2CCCC2)CC1 426411236 FQKRSHUGRSROHZ-UHFFFAOYSA-N 346.402 2.635 0 50 EFAA CN1CCC(Nc2ccccc2NC(=O)CC[C@H]2CCOC2)CC1 175949558 VPKHWEQKZZSMHC-HNNXBMFYSA-N 331.460 2.948 0 50 EFAA Cc1ccc(C(=O)N(CC(F)(F)F)C2CCC2)cc1S(C)(=O)=O 175974191 HJEKMPYFOVDQTB-UHFFFAOYSA-N 349.374 2.956 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)on1 220352117 AQKDEEKSNOABAY-AWEZNQCLSA-N 338.411 2.818 0 50 EFAA CCc1ccccc1-c1ccc(C(=O)N(CCO)CCN(C)C)cc1 426536562 UUHRJMCGCNFABQ-UHFFFAOYSA-N 340.467 2.912 0 50 EFAA CCN(C(=O)c1ccc(-c2ccc(C)s2)cc1)[C@H]1COC[C@@H]1O 426477377 LGKOPOTUNGEAKL-HOTGVXAUSA-N 331.437 2.945 0 50 EFAA CCc1nc(CNC(=O)N2CCC(Cc3ccccc3)CC2)no1 426699888 HPOGLDKYYAQBKB-UHFFFAOYSA-N 328.416 2.796 0 50 EFAA CN(C)CC[C@H](NC(=O)c1cccc(C(=O)O)c1)c1ccccc1 97660690 ZJLCKYXWTVPMAZ-KRWDZBQOSA-N 326.396 2.808 0 50 EFAA O=C1OC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F 95497635 APASWNZYRMIHQX-UHFFFAOYSA-N 332.297 2.919 0 50 EFAA COc1ccccc1N1CCN(c2nc3c(s2)c(C)nn3C)CC1 95524521 OPPZITXRVBTJRB-UHFFFAOYSA-N 343.456 2.673 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)N1CCc2c([nH]c3ccccc23)C1 426368314 NJNRPMAXFXPZFD-UHFFFAOYSA-N 335.411 2.648 0 50 EFAA CN(C(=O)c1cccc(-n2cnnc2)n1)[C@@H]1CCCc2ccccc21 97527309 BKTRNUXNRKPALE-QGZVFWFLSA-N 333.395 2.812 0 50 EFAA O=C(NCc1cccnc1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 91965957 OXBYKVLXLSAFJT-MRXNPFEDSA-N 329.444 2.659 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)NCCn2cccn2)C12CCCCC2 178697806 WIQOMKVKQWLVCB-JKSUJKDBSA-N 334.464 2.652 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cccn2C)C3)c1 96141280 LUDAJNYJNBTYCC-UHFFFAOYSA-N 336.395 2.622 0 50 EFAA Cc1nccn1CC1(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 95387570 CKXSCXTUFOFKTD-KRWDZBQOSA-N 344.434 2.530 0 50 EFAA O=C(c1cccnc1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 92106850 PZKLFTLTAGYBCN-GOSISDBHSA-N 347.422 2.741 0 50 EFAA COC[C@]1(O)CCN(C(=O)Nc2ccc(F)c(F)c2)CC1(C)C 91410329 VXTLTJCQTRBZQA-MRXNPFEDSA-N 328.359 2.606 0 50 EFAA Cc1nc(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c2sccc2n1 91934225 ZRDUEHVIJUZBCA-HUUCEWRRSA-N 346.500 2.530 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)[C@@H]2CCO[C@H]21 230096608 CQDGKPVHKWKUQO-APHBMKBZSA-N 344.390 2.946 0 50 EFAA CCCc1nc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)cs1 97797521 NYRNJNFWPRPDDX-OAHLLOKOSA-N 347.415 2.548 0 50 EFAA CC(C)c1nnsc1CN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 92097016 QAIUEEDMINUYBV-LSDHHAIUSA-N 348.516 2.884 0 50 EFAA CC(C)n1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)cn1 95506015 YIVCONZIWVWEIR-VQIMIIECSA-N 341.411 2.527 0 50 EFAA O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1cocn1)Cc1cocn1 97744998 LCDWZPQGKQNXSL-UHFFFAOYSA-N 349.350 2.895 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccccc2C)[C@H]2C[C@@H](O)C2)cn1 244633557 GEWKHPNPHVUIBN-RVKKMQEKSA-N 326.396 2.641 0 50 EFAA C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C(C)(C)CO1 180232901 MIYHPOZRNIQRSH-OAHLLOKOSA-N 346.475 2.510 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 252527679 DDHHWYWZOVJPSC-FHSNZYRGSA-N 341.436 2.726 0 50 EFAA CCn1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1C 298576853 HWEMMMHCWAXDKB-UHFFFAOYSA-N 328.351 2.696 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@](C)(C(=O)O)C2)cc1 299746668 YZJXTOFRBBDYKN-GJYPPUQNSA-N 331.412 2.786 0 50 EFAA C[C@@H](CN(C)c1nnc(Cc2ccc(Cl)cc2)s1)C(=O)O 263564515 UZLPJLFPQXIYQG-VIFPVBQESA-N 325.821 2.939 0 50 EFAA COc1ccccc1CN(c1cc([C@H]2CCOC2)nc(N)n1)C1CC1 299793710 JKCDLFBFTCZWHH-AWEZNQCLSA-N 340.427 2.740 0 50 EFAA COc1nc(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)nn1C 299780710 AZVJKBPTURQQIN-IYBDPMFKSA-N 338.411 2.529 0 50 EFAA CN1CCC(O)(c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)CC1 823761067 CJVKVGHAFQYKHX-UHFFFAOYSA-N 344.459 2.594 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)CC2CC(F)(F)C2)C3)n1 685943519 XVISUWXJICGIDR-WFASDCNBSA-N 325.359 2.694 0 50 EFAA CC[C@@H](NC(C)=O)C(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C 952976832 HKJONYWFUNGFAH-MRXNPFEDSA-N 345.443 2.977 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccoc1COc1ccc(C)cc1 1565509207 WKHQDRVVICZCDA-IRXDYDNUSA-N 345.395 2.701 0 50 EFAA COc1coc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1=O 408515766 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331.412 2.902 0 50 EFAA CCCc1nc(C)c(CNc2cc(N3CCC(O)CC3)ncn2)s1 1529113534 GBDCIAAVRVSVQO-UHFFFAOYSA-N 347.488 2.767 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704348069 BYVIXEVLCGLRCF-UKRRQHHQSA-N 345.468 2.646 0 50 EFAA Cn1ccc(C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)cc1=O 1772708125 BSPMJFUYCBAFAG-UHFFFAOYSA-N 346.377 2.612 0 50 EFAA CC1(C)CNC(=O)C2(CCN(Cc3cc4ccccc4o3)CC2)NC1 1772807978 DHVSLCNFXWXIGL-UHFFFAOYSA-N 341.455 2.513 0 50 EFAA Cc1nc(N2CCCN(C(=O)c3c(C)ncnc3C)CC2)sc1C 1772804788 UOUDCSFRTBKJKM-UHFFFAOYSA-N 345.472 2.519 0 50 EFAA CC(C)(C)c1ccc(OC[C@H](O)C[S@@](=O)c2ccccn2)cc1 5563100 LJMQGOKEKNJUKB-WNSKOXEYSA-N 333.453 2.927 0 50 EFAA CCN(C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 11663474 UGCNTARPBGBDID-UHFFFAOYSA-N 349.500 2.965 0 50 EFAA CCN(C[C@@H]1CCCO1)C(=O)c1cn(Cc2cccc(Cl)c2)nn1 12092955 VSYIULIVIMAWJQ-HNNXBMFYSA-N 348.834 2.621 0 50 EFAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(CC)no4)c3CO2)cc1 169758438 BSTKAUVNNMERDX-CQSZACIVSA-N 341.371 2.561 0 50 EFAA 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O=C(O)CCc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1 334162557 ALHGUVVQMIXLDT-UHFFFAOYSA-N 349.390 2.583 0 50 EFAA CC(C)c1cc(NCCc2csc(-c3ncccn3)n2)nc(N)n1 95384182 HGICXGNZGHNEBJ-UHFFFAOYSA-N 341.444 2.750 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1CCN(c2ccccn2)CC1 92037758 LQGQNMWHYRMRCP-UHFFFAOYSA-N 330.457 2.932 0 50 EFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCN(Cc2ccco2)CC1 97137522 HGUZNULSERFVSV-UHFFFAOYSA-N 336.395 2.628 0 50 EFAA CCn1cc(CN(C)Cc2nccs2)c2cc(C(=O)O)ncc21 97076632 PNHBPIPQKKAQND-UHFFFAOYSA-N 330.413 2.843 0 50 EFAA CCSCCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 95370088 WCQMCKWGZYDKFB-DOTOQJQBSA-N 346.496 2.893 0 50 EFAA COc1cc(CN2CCC[C@H](c3ccncn3)C2)cc2c1OCO2 97743019 UOGALRRCMAMLEJ-AWEZNQCLSA-N 327.384 2.594 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCCn1ccc2ccccc21 97324020 CYNZLDJBWGMVOV-QGZVFWFLSA-N 333.391 2.632 0 50 EFAA Cc1cc(C)c(NC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c(Cl)c1 97413226 QZUXDYFWNSZMSP-NEBZKDRISA-N 338.835 2.552 0 50 EFAA OC[C@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1CN1CCCCC1 92066748 HPBGVHLLXYTMPH-ZIAGYGMSSA-N 343.393 2.631 0 50 EFAA COCCN1CCC(C(=O)N2CCc3cc(SC)ccc3C2)CC1 97393916 HNFZAXJQNROIBL-UHFFFAOYSA-N 348.512 2.652 0 50 EFAA CCCCSc1nc(N)cc(N2CCC[C@@H](N3CCCC3=O)C2)n1 95369114 SMPMJJZBFQVNGF-CYBMUJFWSA-N 349.504 2.542 0 50 EFAA Cc1csc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 244899704 ZOLCXDKBFNTHDJ-OAHLLOKOSA-N 336.482 2.641 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccnc(O[C@@H]2CCOC2)c1 248553686 HNIUXZWCZFHQBK-NKXHUJMZSA-N 342.439 2.804 0 50 EFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccncc1Cl 252536479 IRMJPVMRZHBUON-CKEIUWERSA-N 330.815 2.847 0 50 EFAA CCc1n[nH]c(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)n1 182287409 BRPBHSITRFXUEY-UHFFFAOYSA-N 344.400 2.828 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1COc2ccccc2C1 298454902 VYOLPZYAMMCBGQ-INIZCTEOSA-N 325.364 2.595 0 50 EFAA CCCOc1ccc(CCNC(=O)N2CCN3CCC[C@@H]3C2)cc1 534590096 ADKGNFREWNSQMT-QGZVFWFLSA-N 331.460 2.508 0 50 EFAA N[C@@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299743980 NAXUPDKDBLVBIC-MRXNPFEDSA-N 340.423 2.708 0 50 EFAA O=C(Nc1cccc2cn[nH]c12)N1CCN(C2CCSCC2)CC1 299791745 FSIJWZQXSRELMM-UHFFFAOYSA-N 345.472 2.608 0 50 EFAA COc1ccc(CCNC(=O)c2ccc(O)nc2C(C)C)cc1OC 1940198343 HKLNJOZVBSROPC-UHFFFAOYSA-N 344.411 2.900 0 50 EFAA COc1ccc([C@H](NC(=O)Cn2ccnc2C)c2ccncc2)cc1 299775267 AZVRVYBXDYFPRQ-IBGZPJMESA-N 336.395 2.501 0 50 EFAA O=C1c2ccccc2CN1CC(=O)N1CCCC[C@H]1c1cccnc1 390826589 ARBAHSARBFCMPU-SFHVURJKSA-N 335.407 2.791 0 50 EFAA biogenic Cc1nc(CC(=O)NC[C@H](c2cccnc2)N2CCCCC2)cs1 670437452 LGPDSYKRWXMEMZ-QGZVFWFLSA-N 344.484 2.732 0 50 EFAA CN(C)[C@H](CNC(=O)c1ccc(CN2CCCC2)o1)c1ccco1 952986881 LPSLOPDANCESQL-OAHLLOKOSA-N 331.416 2.501 0 50 EFAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCO)c(Cl)cc1F 952869918 QEMWDLDBOCLWMJ-NSHDSACASA-N 335.828 2.713 0 50 EFAA Cc1ncccc1Oc1ncnc(N2C[C@H](C)[C@@](O)(C3CC3)C2)c1C 1565527601 SWFFHVLVIBBIHF-HXPMCKFVSA-N 340.427 2.878 0 50 EFAA CC(=O)N(C)CCc1nc(-c2ccc(Br)cn2)cs1 408523504 KNTIWCMQQVSDCS-UHFFFAOYSA-N 340.246 2.988 0 50 EFAA CCO[C@@H]1CCCC[C@H]1NC(=O)CCCNC(=O)c1ccccc1 408520452 GFEKMRQMRKERJD-IAGOWNOFSA-N 332.444 2.661 0 50 EFAA Cn1cc(CCC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cn1 408521349 PZZPKZCVPJNJEN-UHFFFAOYSA-N 337.345 2.998 0 50 EFAA Cc1ccc(C(=O)Nc2ccnc(N(C)C)c2)cc1N1CCOCC1 631623064 WITDQRVKPHWNNQ-UHFFFAOYSA-N 340.427 2.545 0 50 EFAA COCC[C@@H]1CCCCN(C(=O)Nc2cc(C)nnc2N(C)C)C1 667482986 VNEWPIAZJLEVSL-AWEZNQCLSA-N 335.452 2.522 0 50 EFAA CC1(C)[C@H](O)C[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 189286136 ZFXXHWULSWSMOD-FRRDWIJNSA-N 330.350 2.619 0 50 EFAA O=C(Cn1cccn1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 191265120 OFSZPBMVJSSVQJ-LBPRGKRZSA-N 339.226 2.585 0 50 EFAA O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccco1 192024473 DILZWZQQUDITCT-NVXWUHKLSA-N 334.803 2.669 0 50 EFAA COC[C@@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(Cl)cc1 193588055 WDAJOOPZDXBRTR-CQSZACIVSA-N 349.818 2.856 0 50 EFAA COc1ccc(Cn2nnc(C(=O)N[C@@H]3CCC(C)(C)C3)c2C)cc1 649888773 GLEWFDBAVQRLDV-OAHLLOKOSA-N 342.443 2.952 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N2CC([C@H]3CCOC3)C2)c(C)n1 655041781 YLDNWIRPCQSKKJ-DOMZBBRYSA-N 331.460 2.644 0 50 EFAA O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCCC[C@@H]1N1CCCC1=O 665436539 HULDNUJSFFVORH-IKGGRYGDSA-N 342.439 2.808 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)NCc1csc(N2CCCC2)n1 1506411968 MDWCZLOUVVFZCU-ONEGZZNKSA-N 349.481 2.627 0 50 EFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)Cc1ccc(O)c(Cl)c1 1506417468 JSEDNGVJKPDVBN-HNNXBMFYSA-N 348.830 2.783 0 50 EFAA CCCc1cnc(C)nc1N1CC[C@](C(=O)O)(c2ccccc2)C1 1704331085 KHAUGIRPJGEXGB-LJQANCHMSA-N 325.412 2.970 0 50 EFAA Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 11879425 YGCDXQDGDPXQOM-QGZVFWFLSA-N 333.476 2.995 0 50 EFAA C[C@H](NC(=S)NCc1ccccc1)[C@@H]1COc2ccccc2O1 12383352 GKELCBDCMZRUCB-GUYCJALGSA-N 328.437 2.879 0 50 EFAA CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1cccnc1 13570665 CLBDJABORQEHMO-HUUCEWRRSA-N 336.351 2.802 0 50 EFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857667179 IPKITYUAPDAFRG-RLCCDNCMSA-N 346.814 2.500 0 50 EFAA CCc1nc(-c2ncccn2)sc1-c1nc(C)nn1[C@H]1CCOC1 1857702049 XQQOGIXSMNJKJZ-NSHDSACASA-N 342.428 2.691 0 50 EFAA O=C(O)c1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1 237967428 JFJQYCXQFUUFPW-SFHVURJKSA-N 339.391 2.859 0 50 EFAA CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2cccs2)CC1 16123853 UOTHVHCXBJCCAF-CYBMUJFWSA-N 340.445 2.817 0 50 EFAA in-vitro Cn1ncc(NC(=O)N2CCOc3cccc(F)c3C2)c1C(F)F 669959155 CSMNRNDAXZMPPK-UHFFFAOYSA-N 340.305 2.923 0 50 EFAA C[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 252539001 NQUJIBFSHIZXMR-APWZRJJASA-N 345.487 2.585 0 50 EFAA C[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)[C@H]1CN 156696284 ZCOKKNGQHFPPPN-KXBFYZLASA-N 339.439 2.860 0 50 EFAA CCc1ccc(NC(=O)CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 372301462 NGCIWRRFDQOIBD-OAQYLSRUSA-N 349.434 2.783 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCC[C@@](CO)(c2ccccc2)C1 374963813 PLUMQJLSSBIZLS-HXUWFJFHSA-N 335.407 2.501 0 50 EFAA Cn1ncc(CNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 805995102 RHIPXKQGVJOWIU-IBGZPJMESA-N 347.422 2.672 0 50 EFAA CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C(=O)O)s2)CC1 914778731 ZTQOARJPCBQQKA-UHFFFAOYSA-N 348.424 2.776 0 50 EFAA Cc1nccnc1N1CCN(Cc2cnc(-c3ccccc3)o2)CC1 930319674 RZHDBEOKWQZAQB-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCOC[C@H]1c1ccc(COC)o1 930574371 SUSIUXHTTYZGRU-ZDUSSCGKSA-N 349.387 2.890 0 50 EFAA CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2nn[nH]n2)cc1 952880281 CFWPWUHHQITKPW-BXUZGUMPSA-N 330.392 2.746 0 50 EFAA Cc1ncccc1C(=O)Nc1ccc(CN=[S@](C)(=O)N(C)C)cc1 952993268 FWOPOTLUSZTGAG-DEOSSOPVSA-N 346.456 2.717 0 50 EFAA O=C(c1oc2ccccc2c1Cn1cccn1)N1C[C@H](F)[C@H](F)C1 1875265696 VBAITIWQJRVYQH-OKILXGFUSA-N 331.322 2.810 0 50 EFAA CCNc1cc(C)ccc1NC(=O)CNC(=O)NCc1ccccc1 1875262575 LDAPAANTIHCTGC-UHFFFAOYSA-N 340.427 2.865 0 50 EFAA N[C@@H](Cc1n[nH]c2ccccc12)C(=O)NCc1cccc2c1CCCC2 1875293766 BEYZPPUQVNVTDQ-SFHVURJKSA-N 348.450 2.628 0 50 EFAA CCN(CCc1ccccn1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875290716 ZKLLWRPTASKXKJ-QWHCGFSZSA-N 328.416 2.532 0 50 EFAA O=S(=O)(Cc1ccc2nonc2c1)N[C@H](c1cccs1)C1CC1 1875288637 RJSPZIHKEOBNFU-HNNXBMFYSA-N 349.437 2.855 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](CN=c3cncc[nH]3)CC[C@H]2C1 1875339274 ZBLJAKQCSXUJSF-OAGGEKHMSA-N 346.475 2.984 0 50 EFAA O=C1[C@H](c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)CCN1C1CC1 1875328545 XRRKJSIWQMWNQY-AWEZNQCLSA-N 335.367 2.605 0 50 EFAA Cc1ncc(CNC[C@@H](O)c2ccc(F)cc2)c2c1OC(C)(C)OC2 1775999715 VFIWPRXDZPLBDX-QGZVFWFLSA-N 346.402 2.997 0 50 EFAA CN(C(=O)[C@@H]1CC12CCN(c1nc(CC3CC3)ns1)CC2)C1CC1 2325756808 NEKXXKCQNMYEFA-AWEZNQCLSA-N 346.500 2.718 0 50 EFAA Cc1c(C(=O)N[C@@H]2CCCC[C@H]2P(C)(C)=O)cnc2ccnn12 2325796938 GISROTBSZLUZAF-ZIAGYGMSSA-N 334.360 2.701 0 50 EFAA CN(C(=O)N1C[C@H]2C(F)(F)C(F)(F)[C@]2(Cl)C1)c1cccnc1 2325797665 LMKUHGDJMKQEHA-KOLCDFICSA-N 337.704 2.831 0 50 EFAA Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)CC12CC(C)(CO1)C2 2325819020 NFOHLHRSYAPDLK-LMDPOFIKSA-N 349.496 2.901 0 50 EFAA O=C(Nc1nc2cc(F)c(F)cc2[nH]1)c1cccc2c1OCCNC2 2325859337 VZROCHKFQYWQDP-UHFFFAOYSA-N 344.321 2.575 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225682820 ONARLWFCVQXVCO-CZUORRHYSA-N 325.343 2.650 0 50 EFAA CN1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 245343965 WQHOGAYPOLSXLI-WQVCFCJDSA-N 340.826 2.767 0 50 EFAA Cc1ccc2c(C)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1 1057166 MIFOZRPHOLKYBJ-UHFFFAOYSA-N 344.392 2.949 0 50 EFAA COc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 2810757 UQGFARLNUMILDO-UHFFFAOYSA-N 347.411 2.650 0 50 EFAA CCOCCc1nnc(NC(=O)c2cccc(NC(=O)CC)c2)s1 4502999 VCUPZARSGXJJNZ-UHFFFAOYSA-N 348.428 2.718 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)CCn1cnc2ccccc2c1=O 55371049 NOXGDHLWTINCQX-ZDUSSCGKSA-N 339.399 2.593 0 50 EFAA CC(C)c1ncc(C(=O)Nc2cccnc2N2CCOCC2)s1 178924853 TXDSLCGEZLKSOG-UHFFFAOYSA-N 332.429 2.750 0 50 EFAA Cc1nc(C2(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCC2)no1 116539104 GUMRHWKJFPNYKJ-UONOGXRCSA-N 330.363 2.752 0 50 EFAA CN(Cc1ccno1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67473351 YDSPATHPXYLKFO-UHFFFAOYSA-N 335.367 2.673 0 50 EFAA COc1cc(C(=O)N2CCC(CCn3cccn3)CC2)ccc1O 67955301 XSAWPXGBGLFTHZ-UHFFFAOYSA-N 329.400 2.540 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)c2cc3ccccc3o2)n1 328613255 RIUQXRNMYVOSEK-LERXQTSPSA-N 341.367 2.562 0 50 EFAA CC(C)c1nc(C[C@H]2NC(=O)c3ccccc32)n(-c2ccccn2)n1 65453318 BKPXHMVWXMILKZ-OAHLLOKOSA-N 333.395 2.813 0 50 EFAA CCOC(=O)C1=NO[C@@H](COc2ccc3ccccc3c2C=O)C1 167881 FUZGFHLLZKAXNJ-CYBMUJFWSA-N 327.336 2.739 0 50 EFAA Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@H](C)C[S@@](C)=O 120040813 JGGQBZUDXVEMAR-DMZKTXOQSA-N 325.478 2.600 0 50 EFAA C[C@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)C[C@@H](C)O1 229734288 KGHZAPYDZWNSGI-JKIFEVAISA-N 333.432 2.601 0 50 EFAA CCN(CC)[C@@H](CNC(=O)CCC(=O)NC1CCCC1)c1ccco1 123520438 DBGRPLCXAIABCJ-INIZCTEOSA-N 349.475 2.618 0 50 EFAA Fc1cccnc1N1CCN(c2cc(Br)ccn2)CC1 253430394 KWWMXGAHRCZWRR-UHFFFAOYSA-N 337.196 2.705 0 50 EFAA CN(C)c1cnc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)cn1 329294309 JPXUDFIGHYEOHB-CQSZACIVSA-N 337.427 2.562 0 50 EFAA COc1ccc(-n2ccnc2CN2CCC(c3ncc[nH]3)CC2)cc1 216243993 LRCJLPNRUTUEBD-UHFFFAOYSA-N 337.427 2.984 0 50 EFAA CO[C@@H]1C[C@H](NCc2ccncc2OC[C@@H]2CCOC2)C12CCC2 453227912 OGCBMJPXVYVGJC-FHLIZLRMSA-N 332.444 2.544 0 50 EFAA COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCC[C@](C)(OC)CC1)C2 279853932 IJOXSYICTNWTHN-KXBFYZLASA-N 348.443 2.599 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nn1 35597999 SJMBPECAXHJTEL-UHFFFAOYSA-N 349.797 2.932 0 50 EFAA CCC(CC)N1C[C@@H](C(=O)N[C@@H]2COc3ccc(C)cc32)CC1=O 156117664 UIUOFSLEFKYUBD-XJKSGUPXSA-N 330.428 2.582 0 50 EFAA CCn1cc(S(=O)(=O)N2CCCc3ccc(F)c(C)c32)nc1C 332066105 SCPMNLXAKZRWQE-UHFFFAOYSA-N 337.420 2.800 0 50 EFAA O=c1cc(N2CC[C@@H](O)c3ccccc3C2)cnn1Cc1ccccc1 374927231 LZTLPPYNXXKGIZ-HXUWFJFHSA-N 347.418 2.735 0 50 EFAA CCN(CC)C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 369673418 FKZHVBURCQWFFT-AGUYFDCRSA-N 325.453 2.968 0 50 EFAA CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1c(C)noc1C 157206020 LNTSLUZGHNSFKB-OAHLLOKOSA-N 349.456 2.711 0 50 EFAA Cc1csc([C@H](NS(=O)(=O)c2nc(C)c(C)s2)C2CC2)n1 333188899 VCTPKJOXAPPYNY-LLVKDONJSA-N 343.499 2.954 0 50 EFAA COc1ccc(C(C)(C)C(=O)N2CCO[C@@H](C3CC3)C2)cc1OC 375325981 BQHHJFYQNNRFEZ-QGZVFWFLSA-N 333.428 2.619 0 50 EFAA CCOc1ccc(CN2CCN(C(=O)N3CC[C@H](C)C3)CC2)cc1 336929424 ZXAQVWGTCWPYMY-INIZCTEOSA-N 331.460 2.665 0 50 EFAA CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH]nnc3C1)C2 241588023 OYZUHATYLVQHSX-AWEZNQCLSA-N 338.455 2.792 0 50 EFAA Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 241862571 SRFMDFCOISZOIM-JTQLQIEISA-N 339.395 2.921 0 50 EFAA C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[C@H]2CCC(F)(F)C2)C1=O 242284623 YIGMBHWUQSSJNE-RYUDHWBXSA-N 336.338 2.974 0 50 EFAA Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 131446729 XAWFXSTXDSXZMG-ZDUSSCGKSA-N 345.830 2.736 0 50 EFAA Cc1oc2ccccc2c1CNC(=O)N1CCO[C@]2(CCCOC2)C1 286734806 IEBQUFKMIUBBHZ-LJQANCHMSA-N 344.411 2.832 0 50 EFAA O=C(NCc1ccco1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223233721 YNWGZRGPUGLKLT-MHORFTMASA-N 326.396 2.725 0 50 EFAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 132225024 SWKMAMUTXRUPMG-PRHODGIISA-N 337.725 2.581 0 50 EFAA CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)OC(C)(C)C 221639204 CNWYIOJHSXAJDK-UHFFFAOYSA-N 333.344 2.832 0 50 EFAA COC[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(C)o1 175702958 ICMRALYREAYIJV-KBPBESRZSA-N 332.404 2.935 0 50 EFAA C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@@H](c2nccs2)C1 222210814 QRKAMNMZXHNBIS-GOEBONIOSA-N 349.500 2.912 0 50 EFAA CN(c1ccccc1)C1CCN(C(=O)NC[C@@H]2CCCOC2)CC1 175939697 AUHBWVCOPSPIGT-INIZCTEOSA-N 331.460 2.723 0 50 EFAA Cc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1-n1cncn1 285209538 WYHIWHYAFBYADB-PKOBYXMFSA-N 335.411 2.591 0 50 EFAA Cc1noc(C)c1CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1 221277159 FOJCGJFEWPTEHW-IBGZPJMESA-N 338.411 2.585 0 50 EFAA CCC[C@@H](NC(=O)c1cc[nH]c1C)C(=O)N1CCc2sccc2C1 176106950 YNTHWXKTIGPXHS-OAHLLOKOSA-N 345.468 2.868 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)NCCc2ccc3ccccc3c2)C1 175325484 PGMJGVMDZGONBK-MRXNPFEDSA-N 339.439 2.679 0 50 EFAA O=C(CCc1cccc(F)c1)N1CCCN(Cc2cccnc2)CC1 221326488 OKHLQFRLGKTVCK-UHFFFAOYSA-N 341.430 2.888 0 50 EFAA CCCCc1nc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c(Cl)[nH]1 191062147 NCSXEBDGFVSXHP-OAHLLOKOSA-N 346.862 2.818 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccnc(OC)c3)C2)c1 91255618 LMVGHDRGYZQWOB-AWEZNQCLSA-N 342.395 2.737 0 50 EFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cc(C)no1)CC2 426473613 ODKSDOLVXVGNJQ-VDZJLULYSA-N 343.427 2.969 0 50 EFAA CCSCCNC(=O)N1CCN(c2ccccc2OC)C[C@H]1C 426442007 SQWUOADLICIRKQ-CQSZACIVSA-N 337.489 2.668 0 50 EFAA Cc1ccc2[nH]c(C(=O)N3CCCN(c4ncccn4)CC3)c(C)c2c1 91830844 VJNFLYRXUYFHDU-UHFFFAOYSA-N 349.438 2.927 0 50 EFAA CCc1cc(CN(C)C(=O)c2cnn(-c3ccccc3OC)c2)on1 91943097 FSQHJQJRZKCNDG-UHFFFAOYSA-N 340.383 2.704 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 95528996 VMFJQJUWGUPYMQ-UHFFFAOYSA-N 342.399 2.724 0 50 EFAA COCCCN1CC2(CCC1=O)CCN(Cc1ccccc1)CC2 91288701 SHCMGNXFENMJHG-UHFFFAOYSA-N 330.472 2.928 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)[nH]n2)o1 91519379 FXJHETLDEDYGJH-UHFFFAOYSA-N 349.350 2.958 0 50 EFAA CC(C)N1CCC[C@]2(CCN(C(=O)NCCc3cccs3)C2)C1=O 91547708 DDYZUNSJHZIUTF-GOSISDBHSA-N 349.500 2.723 0 50 EFAA COc1cccc(-c2cc(C(=O)N(C)CC3(CO)CCCC3)[nH]n2)c1 92061857 QDFPMNIKBOAAIO-UHFFFAOYSA-N 343.427 2.710 0 50 EFAA O=C(c1cnn2cccnc12)N1C[C@H]2CCCCN2c2ccccc21 294118588 KDANANNSCKXMFR-CQSZACIVSA-N 333.395 2.749 0 50 EFAA COCc1ncsc1C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C 253415223 AOWCETMAXKXICJ-LBPRGKRZSA-N 340.445 2.626 0 50 EFAA CCn1cc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)cn1 299797402 NXDXHMIOTOFREL-UHFFFAOYSA-N 326.444 2.736 0 50 EFAA O=C(NCc1ccon1)Nc1cc(C(=O)N2CCCC2)ccc1Cl 299784038 WFXFMEBUHXHPAM-UHFFFAOYSA-N 348.790 2.886 0 50 EFAA Cc1cc(F)ccc1N1CCC(N(C)C[C@@H](C)N2CCOCC2)CC1 952981606 OFWNKPFAQZEBDN-QGZVFWFLSA-N 349.494 2.755 0 50 EFAA CN1CC[C@](C)(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2F)C1 952983964 MKVAQASFRFTFLD-HNNXBMFYSA-N 348.871 2.583 0 50 EFAA Cc1cccc(CC2(NC(=O)/C=C/c3cnc(N(C)C)nc3)CC2)c1 952966674 IZNYNBUEMURAQD-BQYQJAHWSA-N 336.439 2.756 0 50 EFAA COC(=O)c1ccc2c(c1)CCCCN2Cc1cnc2n1CCOC2 1474724678 VZRIKDZHRLPCNG-UHFFFAOYSA-N 341.411 2.543 0 50 EFAA CC1(C(=O)NC[C@@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)CCC1 408516610 JBQVZWGFZYZKNZ-AWEZNQCLSA-N 348.491 2.886 0 50 EFAA COc1ncccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 185928261 DAGJEOHHQDTCEZ-GOSISDBHSA-N 325.368 2.754 0 50 EFAA CC(C)C(=O)N1CCCN(C(=O)c2ccc3cccnc3c2)CC1 630910992 MRJSVUWAMIGKDE-UHFFFAOYSA-N 325.412 2.565 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1 275411709 SUYILTXXUZTOCD-KBPBESRZSA-N 337.782 2.956 0 50 EFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CCC([C@H]2CCCO2)CC1 275992396 HSTSHOYVCBSHDI-LJQANCHMSA-N 339.439 2.963 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1CN1CCCC1=O 276936547 AGSHVNZJQWAOIR-ROUUACIJSA-N 344.455 2.630 0 50 EFAA CC(C)(C)CS(=O)(=O)NC(=O)[C@H]1SCCc2ccccc21 170645736 VWOVOBVWQRYKCF-ZDUSSCGKSA-N 327.471 2.509 0 50 EFAA CC[C@@H]1CN(Cc2ccc(O)c3nc(C)ccc23)CCN1CCOC 170616844 NKYHFEAPKQIHOF-QGZVFWFLSA-N 343.471 2.791 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccccn1)C1CC1 187507851 MPJYBJKNCMPFJA-ZDUSSCGKSA-N 326.400 2.920 0 50 EFAA O=C(NCC1(CCO)CC1)c1ccc(-c2nc(C3CC3)no2)cc1 187922070 NLEWOPDGHOKOLH-UHFFFAOYSA-N 327.384 2.506 0 50 EFAA Cc1c(-c2ccccc2)[nH]c(SCCCC(=O)N(C)C)nc1=O 188184331 SDHSMMFQSHHJKC-UHFFFAOYSA-N 331.441 2.706 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccc2c(c1)CCOC2)c1cccs1 659122127 ZSAKGXPNBLFAMO-AWEZNQCLSA-N 331.393 2.767 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)cn2C)nn1 643902891 MYLAMKRVBUXTRD-ZDUSSCGKSA-N 333.823 2.512 0 50 EFAA O=C(NC1CCN(CC2CC2)CC1)[C@H]1COc2ccc(Cl)cc2C1 194233872 NZAIRCZLXKBQNO-OAHLLOKOSA-N 348.874 2.882 0 50 EFAA COc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(C)n1 653540715 QYBDJOGBWGIXSZ-ZMLRMANQSA-N 335.404 2.656 0 50 EFAA Cc1ncc(CN(CC(=O)O)C(=O)c2ccc(CC(C)C)cc2)[nH]1 1772703726 DNEZRICCLGYQKD-UHFFFAOYSA-N 329.400 2.644 0 50 EFAA CCOC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 5582416 XZUQYCCKHAERKD-UHFFFAOYSA-N 341.335 2.942 0 50 EFAA CC(C)C(=O)Nc1ccc(N2CCOCC2)c(Br)c1 12381925 BQSPXQVNXCOCBJ-UHFFFAOYSA-N 327.222 2.880 0 50 EFAA Cc1ccccc1CS(=O)(=O)N1CCN(c2ccccc2)CC1 16578351 NAXHDRFTWJKMBP-UHFFFAOYSA-N 330.453 2.647 0 50 EFAA O=c1c2cnc3ncnn3c2ccn1-c1cccc(Cl)c1Cl 19960553 GGOYPFQSINJDPA-UHFFFAOYSA-N 332.150 2.735 0 50 EFAA CNc1nc(C)cc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)n1 225558849 KBSYGQDCCVVLIL-UHFFFAOYSA-N 333.779 2.691 0 50 EFAA C[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CS(C)(=O)=O)o2)C1 229344505 RUXURQJHIQODTG-VNHYZAJKSA-N 339.457 2.865 0 50 EFAA Cc1ccsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328619693 GCNXWROULMDZDV-GOEBONIOSA-N 346.500 2.945 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 328632947 LPOAGKAFKJUIJR-SFHVURJKSA-N 338.455 2.985 0 50 EFAA CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1CCCOC1 132901664 BYWRPZVCSAIZHZ-MLGOLLRUSA-N 326.824 2.825 0 50 EFAA CCc1nc2cc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)ccc2o1 249385067 YGXAGDFNHPYCNW-VCXDHIOWSA-N 326.352 2.852 0 50 EFAA CCC[C@@H](NC(=O)CN1CCOC2(CCOCC2)C1)c1ccccc1 135598161 UFIHRIJAOVXDSA-GOSISDBHSA-N 346.471 2.525 0 50 EFAA O=C(c1ccsc1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 252508935 XYFKVIGZUFUVAI-OAHLLOKOSA-N 340.408 2.543 0 50 EFAA Cc1cccc2[nH]cc(CCNC(=O)N[C@H]3CC[C@H](CO)CC3)c12 153224779 KHCUWAXNBXPQQA-FZNQNYSPSA-N 329.444 2.869 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(CC(N)=O)cs2)o1 370887148 TUGDKCZJUHHBER-SASUGWTJSA-N 345.424 2.630 0 50 EFAA Cc1cc(NS(=O)(=O)c2ccnn2CC2CCC2)cc(O)c1C 901947047 KNNLVJBAVYLDJD-UHFFFAOYSA-N 335.429 2.806 0 50 EFAA CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCC(=O)N1C 905988498 KCFLGWSYXCWJLS-CYBMUJFWSA-N 329.227 2.963 0 50 EFAA Cn1nc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)s1 1256393615 ITZARGSSPCLSGB-UHFFFAOYSA-N 345.755 2.955 0 50 EFAA Cc1[nH]ccc(=NC(=O)NC[C@@]2(C)CCCCO2)c1Br 931017485 QGQUKPNWDRSIFA-CQSZACIVSA-N 342.237 2.655 0 50 EFAA NC(=O)[C@]12CCC[C@H]1CN(Cc1nc3ccccc3n1C(F)F)C2 933759910 MXXKKAPRFMCKQT-GTNSWQLSSA-N 334.370 2.519 0 50 EFAA c1ccc(-c2ccnc(C3CCN(C[C@@]45CNC[C@@H]4C5)CC3)n2)cc1 952892255 MMWKCAOAFKZJEN-GHTZIAJQSA-N 334.467 2.933 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCc1nnc(-c2ccc(-n3cnnn3)cc2)o1 952874709 GYSGTWRPXNEHOE-DOMZBBRYSA-N 340.387 2.808 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4ccccc4CC3)n[nH]c21 1875290068 OKUCTMWZLUGXQK-OLZOCXBDSA-N 325.412 2.673 0 50 EFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)C3CC(C)(C(=O)O)C3)C2)c1 1875278027 UDRNUADWPZTUHJ-MVHRGTOISA-N 331.412 2.901 0 50 EFAA Cc1ccc(F)cc1CN1CCC[C@H](c2nn(C)cc2C(=O)O)C1 1875266335 QPUMCRVBRNHJOR-ZDUSSCGKSA-N 331.391 2.945 0 50 EFAA C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 1875388335 XERVFEJASZRNEK-UHFFFAOYSA-N 332.381 2.621 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3cccnc3)C3CC3)n[nH]c21 1875394148 ZCYUGIZRUUJANY-NEPJUHHUSA-N 326.400 2.632 0 50 EFAA C[S@](=O)(=NC(=O)Cc1ccc(O)c(Cl)c1)c1ccc(O)cc1 1875331348 GIKHTGSXBTXARZ-JOCHJYFZSA-N 339.800 2.977 0 50 EFAA CCn1nc(C(=O)N2CC[C@@H]2C2CCCC2)c(=O)c2ccccc21 889400205 FRQLTCIHNPNUSC-OAHLLOKOSA-N 325.412 2.821 0 50 EFAA O=C1CCCN1Cc1ccc(NC(=O)N2C[C@H]3CC(F)(F)[C@H]3C2)cc1 2325775767 HOVACPCNJOHBGE-HIFRSBDPSA-N 349.381 2.928 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)c1cncc(Br)c1 92070 LZFQTAUTOMXDNU-UHFFFAOYSA-N 335.157 2.503 0 50 EFAA COC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 244437 LULPYSIGRPGUQD-UHFFFAOYSA-N 338.212 2.565 0 50 EFAA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NCc1ccccc1 290158 HFMFCNDNWAVPRV-UHFFFAOYSA-N 349.419 2.915 0 50 EFAA CC[C@@]1(C)C[C@@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 1774009 LYWNZVLBDLLGAO-RBUKOAKNSA-N 337.460 2.894 0 50 EFAA biogenic CCOc1ccccc1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356141570 HOCLTBCDMPTPET-HXUWFJFHSA-N 342.439 2.845 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(N2CCCC2=O)cc1 221709046 ZYURVULZFXYSKK-QGTPRVQTSA-N 343.471 2.769 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225539036 PSRSPTFCLIHLCE-SJLPKXTDSA-N 339.370 2.510 0 50 EFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 246200670 VUDDGMRIFKJEGO-QGPMSJSTSA-N 343.471 2.980 0 50 EFAA Cc1[nH]c2c(F)cccc2c1CC(=O)NCCCc1csc(N)n1 67741759 IGFSCHSZFCITKQ-UHFFFAOYSA-N 346.431 2.946 0 50 EFAA NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246808011 RUCOSHWPLDJDDG-MJBXVCDLSA-N 341.238 2.963 0 50 EFAA O=C(CCN1CCCN2CCC[C@H]2C1)N[C@@H]1CCCc2ccccc21 247794591 QMYOQLHENXSNAB-AZUAARDMSA-N 341.499 2.740 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348241540 JJAFUAWDPPPGPD-DIFFPNOSSA-N 343.333 2.789 0 50 EFAA O=C(Cn1ncc2cccnc21)Nc1ccnn1CC1CCCCC1 20859369 FTWZOCBIQOVBND-UHFFFAOYSA-N 338.415 2.847 0 50 EFAA CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)CCn3cccn3)C2)C1 12464219 PBVPWRXAMWVILO-LJQANCHMSA-N 332.492 2.634 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O 72433297 KGVYKAULWFIMTJ-GFCCVEGCSA-N 325.792 2.994 0 50 EFAA CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 33359534 CDSIZJALLCOWMO-CQSZACIVSA-N 340.876 2.935 0 50 EFAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)n1 77440475 ZNIQPRZUJZFXFG-LJQANCHMSA-N 345.491 2.622 0 50 EFAA CC[C@@H](C(=O)N[C@@H](C)COCC(F)(F)F)N(C)Cc1ccccc1 253406215 WSRPPPHQADOLCM-ZFWWWQNUSA-N 346.393 2.981 0 50 EFAA O=C(NCc1cccnc1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 359133280 TXVMAMAUYLLYIB-UHFFFAOYSA-N 335.363 2.778 0 50 EFAA Clc1snnc1CN(Cc1ccccn1)[C@@H]1CCCNCC1 328607175 VCFKZZMBBCFJCX-CYBMUJFWSA-N 337.880 2.731 0 50 EFAA O=C(C[C@@H]1CCOC1)N1CCC(c2nc(-c3ccccc3)no2)CC1 363243935 BLEXNWQRRIXCCK-AWEZNQCLSA-N 341.411 2.869 0 50 EFAA Cc1nccn1C[C@H]1CCCN1c1nccc2c1C(=O)OC2(C)C 364978495 OZKIUUBOICURMX-CYBMUJFWSA-N 326.400 2.661 0 50 EFAA COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(CO)o3)C2)c1 12612609 YCJNLUSZLGMRDW-HXUWFJFHSA-N 345.439 2.598 0 50 EFAA N[C@H]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCCO3)C2CCCC2)C1 155677754 CIRUEYLAQKZMKT-CVEARBPZSA-N 344.455 2.856 0 50 EFAA Cc1noc(C2CCC(N[C@H]3CCN(c4ncccc4F)C3)CC2)n1 366713111 YIKOVKYMJNNJPQ-NRXISQOPSA-N 345.422 2.807 0 50 EFAA Cc1nc(-c2c[nH]c(C(=O)NC3CCC(C(=O)O)CC3)c2)cs1 261633714 CDPCSOGYFPAYFM-UHFFFAOYSA-N 333.413 2.820 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O 77488295 TZLFQBXYBNQKQF-AWEZNQCLSA-N 331.416 2.697 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 370581023 ZUNQVDZMFWFVNC-CYBMUJFWSA-N 336.395 3.133 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@H](c2nncn2C)C1 375122969 FBHRMHYZPYVMDB-AWEZNQCLSA-N 338.411 2.818 0 50 EFAA CCN1C[C@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)[C@@H](OC)C1 77503299 MCQBOSJPASNQNZ-ROUUACIJSA-N 341.455 2.609 0 50 EFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 77378405 APZIOZUYSLEUDY-GOSISDBHSA-N 337.419 2.985 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 72422140 MMNIWOUBMPWTEQ-GOSISDBHSA-N 330.472 2.700 0 50 EFAA O=C(CNC(=O)c1cnc(-c2ccco2)s1)Nc1ccc(F)cc1 171464826 LJWBAGFBAAPOOR-UHFFFAOYSA-N 345.355 2.911 0 50 EFAA O=C(c1csc(NCc2ccccc2Cl)n1)N1CCOCC1 40268065 AYFRFAMMRWTKQF-UHFFFAOYSA-N 337.832 2.881 0 50 EFAA CC(C)c1csc([C@H]2CCCN(C[C@@H]3CCS(=O)(=O)C3)C2)n1 241816033 SFAKFBYFUYCBPQ-KBPBESRZSA-N 342.530 2.881 0 50 EFAA Cc1nc([C@H](C)NC(=O)CCN2Cc3ccccc3C2=O)c(C)s1 223625902 ASPCDWDHIPNEOM-NSHDSACASA-N 343.452 2.983 0 50 EFAA C[C@@H](C(=O)N(Cc1ccsc1)C1CCCC1)N1CCN(C)CC1 426399436 QOFFEPQAKKSQKF-HNNXBMFYSA-N 335.517 2.655 0 50 EFAA CC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc1 91745350 HGBXEQYOUDCMFN-DLBZAZTESA-N 327.428 2.512 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N(Cc1cocn1)Cc1cocn1 97572190 JAFNBCFKUKULFU-UHFFFAOYSA-N 338.367 2.779 0 50 EFAA CCn1cnnc1CCNC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12 91858434 QIDGVNNKLMDTFN-UHFFFAOYSA-N 339.443 2.606 0 50 EFAA CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1ncnn1CC 91871856 YVKHMHNNAQFOMS-AWEZNQCLSA-N 341.415 2.679 0 50 EFAA Cc1cccc(=O)n1CCCNC(=O)c1cc2c(s1)CCCC2 92098799 ZINQHXRBTJITLQ-UHFFFAOYSA-N 330.453 2.917 0 50 EFAA COc1cc(C(=O)O)cc(C(=O)N2CCC[C@]3(CCCO3)CC2)c1 97568952 MTEXOWYEJVFLNC-SFHVURJKSA-N 333.384 2.569 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 91548781 IPFRWZXAIBJVMD-LSDHHAIUSA-N 347.459 2.929 0 50 EFAA Cc1noc2ncnc(N3CCC([C@H](O)c4cccs4)CC3)c12 95353441 VCGDAFPWDMTNQS-AWEZNQCLSA-N 330.413 2.938 0 50 EFAA CNC(=O)[C@@H]1CN(CCO[C@H]2CCCC[C@H]2C)c2ccccc2O1 239722395 CCQBEADGOQQNRH-HFTRVMKXSA-N 332.444 2.595 0 50 EFAA 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Cc1nnc(SCCNC(=O)Nc2ccc3c(c2)COC3)s1 299797842 SWIWUFJYMJACGH-UHFFFAOYSA-N 336.442 2.791 0 50 EFAA FC(F)(F)c1ccc(-n2ncnc2CCCN2CCOCC2)cc1 825716454 OJHJMQTVNZXSQE-UHFFFAOYSA-N 340.349 2.551 0 50 EFAA N[C@@H]1CCN(C(=O)NCCCSCc2ccccc2Cl)C1 826951607 IIGPMYVOURFSKT-CYBMUJFWSA-N 327.881 2.706 0 50 EFAA N[C@H]1CCN(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 826951601 GAHPHDMUYUQDFN-NRXISQOPSA-N 341.459 2.579 0 50 EFAA Cc1cc(CNC(=O)N(C)CC[C@H](O)c2ccccc2)cnc1C 584886182 FVAJACXNTUMLFC-SFHVURJKSA-N 327.428 2.964 0 50 EFAA Cc1nonc1CC(=O)NCCc1ccc(OCCC(C)C)cc1 670454912 LKLQHTDWBPTIMS-UHFFFAOYSA-N 331.416 2.704 0 50 EFAA Cc1nc(NCCOc2cccc3cccnc23)c2cnn(C)c2n1 952966166 DMNXNXIZLFNHJU-UHFFFAOYSA-N 334.383 2.711 0 50 EFAA C1CC(CO[C@H]2COCC[C@@H]2NC2CCC3(CCNCC3)CC2)C1 1565516417 NYUBRYVITMNPSQ-OALUTQOASA-N 336.520 2.863 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C1CCN(c3cccc(Cl)c3)CC1)C2 75949615 CZCBIKRWCJMDRS-KDOFPFPSSA-N 347.890 2.861 0 50 EFAA Brc1cnc(N2CCN(c3cccs3)CC2)nc1 268112432 CSPSJFVCZIKXPF-UHFFFAOYSA-N 325.235 2.627 0 50 EFAA COC[C@@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 185633513 AMROEGMIGBPFAZ-UONOGXRCSA-N 332.213 2.732 0 50 EFAA COc1ccc(F)cc1CC(=O)NC1CCN(C2CCCC2)CC1 186629718 DEIKHJOKGKTWDG-UHFFFAOYSA-N 334.435 2.900 0 50 EFAA Cc1cc(N2CC(O)(c3ccc(F)cc3)C2)nc(-c2ccncc2)n1 170083755 YXISBODKIHLATD-UHFFFAOYSA-N 336.370 2.694 0 50 EFAA O=C(NCc1ccnc(OC2CCC2)c1)c1c[nH]c(=O)c2ccccc12 170605176 NSGXHXXAGCRDIV-UHFFFAOYSA-N 349.390 2.784 0 50 EFAA COC(=O)CCCC(=O)Nc1cncc(Br)c1Cl 170601043 XCGCSHUNVDVTKE-UHFFFAOYSA-N 335.585 2.779 0 50 EFAA O=C(Cn1cccn1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 191265106 OFSZPBMVJSSVQJ-GFCCVEGCSA-N 339.226 2.585 0 50 EFAA C[C@@](O)(CNC(=O)Nc1nnc(C(F)F)s1)C1CCCCC1 192141038 DJDKGAUUCDBACC-CYBMUJFWSA-N 334.392 2.929 0 50 EFAA Cc1csc2c(N3CCN(C[C@@H]4CCCCN4C)CC3)ncnc12 192578387 BPHQLZHLNMVYBV-HNNXBMFYSA-N 345.516 2.606 0 50 EFAA O=C(c1noc(-c2cccc(F)c2)n1)N1CCOC[C@H](C2CCC2)C1 647030456 FOBHXJZJCDHUPA-CQSZACIVSA-N 345.374 2.764 0 50 EFAA C[C@@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C 193343575 CZWVLVKDIBMRHU-WBMJQRKESA-N 348.397 2.540 0 50 EFAA CCOc1ccc(CC(=O)N2CCC[C@H](c3nnc(C)o3)C2)cc1 652589624 AZZUQDHQYNFYEP-HNNXBMFYSA-N 329.400 2.725 0 50 EFAA CCc1ccc([C@H](COC)NS(=O)(=O)c2cccnc2Cl)o1 195530985 VYTHOIZMQDKBGQ-NSHDSACASA-N 344.820 2.556 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H]1CCC[C@@H]1N(C)C 1616094762 HRNLXQQULIXDSG-GJZGRUSLSA-N 337.851 2.576 0 50 EFAA Cc1cc(C[C@H]2CN(Cc3cccc4c3ccn4C)C[C@@H]2O)on1 1616082160 YJDNRRLXGNYJMS-KXBFYZLASA-N 325.412 2.510 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(CC(=O)NCC2CCCCC2)C1 1506417584 AOSKFVPASZZVQD-HXUWFJFHSA-N 330.472 2.585 0 50 EFAA CC[C@]1(C(=O)NCc2ccccn2)C[C@H]2CC[C@@H]1N2C1CCOCC1 1704313087 NHSUOGJOUDLTKP-HBFSDRIKSA-N 343.471 2.510 0 50 EFAA O=C(c1cccs1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12586389 SRLUTPJTGJFSQK-OAHLLOKOSA-N 342.468 2.917 0 50 EFAA CC1CCN(c2ccc(C(=O)NCC[C@@H]3CCCCN3C)cn2)CC1 12754115 AOLKGGJJXNLFON-SFHVURJKSA-N 344.503 2.922 0 50 EFAA CSc1ccc(C(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1 15076987 SFFPWBSMJLHATP-INIZCTEOSA-N 347.528 2.697 0 50 EFAA CCc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 16276193 BMANGKMSLQHGSS-UHFFFAOYSA-N 332.425 2.897 0 50 EFAA CCN1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 16604250 HJFWHPPPQCZLAI-LLVKDONJSA-N 331.243 2.925 0 50 EFAA CCCN(CCOC)C(=O)c1sc(-c2ncccn2)nc1CC 1857710848 SZTZKCJIRSYWSY-UHFFFAOYSA-N 334.445 2.661 0 50 EFAA CC[C@@H](C)c1nc(C)cc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)n1 1857531703 MNVMUJSUTCKLPA-VLIAUNLRSA-N 338.455 2.932 0 50 EFAA O=S1(=O)CCC(n2ccnc2-c2ccc3cccnc3c2)CC1 1857704311 NEBZSWJOCMOUTO-UHFFFAOYSA-N 327.409 2.848 0 50 EFAA Cc1nnc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)o1 1857737363 JEMBXIWXASQPSV-HZPDHXFCSA-N 329.400 2.630 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nncn2C(C)C)CC1 408387224 QXZIYZNDBHXCHR-CVEARBPZSA-N 334.464 2.770 0 50 EFAA O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1coc(-c2ccccc2)n1 230180990 GHGCXGFKANSLSL-VIRABCJISA-N 326.352 2.571 0 50 EFAA CCc1ncsc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328638433 WIYHMBRTILVHAG-HOCLYGCPSA-N 344.484 2.866 0 50 EFAA CCNC(=O)C1(NC(=O)c2ccc(OCC3CC3)cc2)CCCC1 252483929 FLBZFGVWRNDNMH-UHFFFAOYSA-N 330.428 2.654 0 50 EFAA COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(C(=O)O)n1 262616597 MBMPCLZBQDVZPQ-CQSZACIVSA-N 340.379 2.636 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1O 1704340132 OJBAQBURTWVOQI-BBRMVZONSA-N 331.334 2.542 0 50 EFAA O=C(NCc1cc(=O)cc[nH]1)c1ccc(N2CCCCCC2)cc1 822585000 SUPTYQNLTBMNIK-UHFFFAOYSA-N 325.412 2.685 0 50 EFAA Cn1nc(NC(=O)N2CCn3nc(C4CC4)cc3C2)c2ccccc21 934431719 CZQYKVLPZVDPDL-UHFFFAOYSA-N 336.399 2.695 0 50 EFAA C[C@@H](NC(=O)NC1CC(C(=O)O)C1)c1cccc(OC(F)(F)F)c1 874395349 ZUSXMEFWVAVHQC-MFAVDMRSSA-N 346.305 2.809 0 50 EFAA C[C@@H]1C[C@@H](CN(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)CCO1 952884151 UJOWZVDGXMAQEG-AGIUHOORSA-N 346.397 2.650 0 50 EFAA COc1cccc2[nH]cc(S(=O)(=O)N[C@@H](C)CCSC)c12 1875272816 JXQFPUAYEUXEAB-JTQLQIEISA-N 328.459 2.596 0 50 EFAA Cc1ncc(CNC(=O)c2ccc3c(c2)OCCO3)n1-c1ccccc1 1875260980 BKVVMUOYGGAHES-UHFFFAOYSA-N 349.390 2.882 0 50 EFAA COC(=O)c1cc(C(=O)N[C@@H](CO)CCC(C)C)ccc1Cl 1875322294 OOHYNELNCWOCAN-GFCCVEGCSA-N 327.808 2.654 0 50 EFAA COC(=O)[C@H]1Cc2n[nH]cc2N(Cc2ccc(CC3CC3)s2)C1 1875339019 TUGALPWXIHXMQV-LBPRGKRZSA-N 331.441 2.776 0 50 EFAA CC(=O)NC(C)(C)c1noc(Cc2c[nH]c3nccc(Cl)c23)n1 1775999776 YCKZGOZXGKYKBD-UHFFFAOYSA-N 333.779 2.561 0 50 EFAA COC(=O)/C=C/c1ccc(N2CCC(OC)(C(F)(F)F)CC2)nc1 1775994089 SMORKHJIWDPKLB-GQCTYLIASA-N 344.333 2.816 0 50 EFAA COCCc1ccc(OCc2ccc(-c3nc(=O)n(C)[nH]3)cc2)cc1 2100539818 ZQNMPXCUDBGWQV-UHFFFAOYSA-N 339.395 2.543 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc([C@H]2CCCOC2)[nH][nH]1 2325781959 IYHCPUWHPXWRBX-JTQLQIEISA-N 335.795 2.726 0 50 EFAA O=C(N[C@]1(C(=O)O)CC12CCCCC2)[C@H](O)c1cccc(Cl)c1 2325788639 UFMZZQFXMZDBRE-DYVFJYSZSA-N 337.803 2.667 0 50 EFAA CO[C@@H]1CC[C@@H]1Cc1nc(-c2ccncc2)nn1CC(F)(F)F 2325849115 GXAYJZIZKWOKFX-VXGBXAGGSA-N 326.322 2.870 0 50 EFAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc2cc(CN)ccc2c1 2325864181 IJWNZOMIXHJZSR-UHFFFAOYSA-N 337.379 2.974 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C12CCCC2 110632250 PDIVXZMMQMMSLY-UHOFOFEASA-N 333.476 2.994 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccnc(O[C@H]2CCOC2)c1 248553689 HNIUXZWCZFHQBK-NWCWSAAOSA-N 342.439 2.804 0 50 EFAA CN1C(=O)c2ccc(-c3nc4ccc(Cl)cc4c(=O)o3)cc2C1=O 202946 DHVBZGNLUZWZBL-UHFFFAOYSA-N 340.722 2.734 0 50 EFAA O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1 316545 XHGYUGBHQWZNCY-CQSZACIVSA-N 347.386 2.733 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C)c2)cc1 462613 ZEUZNEMSEREDCW-UHFFFAOYSA-N 333.409 2.579 0 50 EFAA COc1cc(-c2o[nH]c(=N[C@@H]3CCSC3)c2C(=O)O)ccc1F 2356146484 IDAQZSLDKZJZKL-SECBINFHSA-N 338.360 2.527 0 50 EFAA O=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O 2862283 KMHBQZUIDZWHIY-UHFFFAOYSA-N 346.335 2.557 0 50 EFAA NC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1 4810993 OVCZQRPVYYPLFC-UHFFFAOYSA-N 329.283 2.589 0 50 EFAA COc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 4842676 YLECJVRZPANBCV-UHFFFAOYSA-N 342.395 2.549 0 50 EFAA CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 9236609 WCBWGBLPDYSQPP-HNNXBMFYSA-N 330.428 2.839 0 50 EFAA CN1CCC(N(CCO)CCCc2c(F)cccc2Cl)CC1 225578240 JIVYVUIXTRNAFQ-UHFFFAOYSA-N 328.859 2.800 0 50 EFAA CC1(CNC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)COC1 112618781 PZCPOAYRZPUWAZ-RMKNXTFCSA-N 338.407 2.827 0 50 EFAA CN(C)C(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 20117253 KFVADHNMNZMTNC-LLVKDONJSA-N 328.206 2.709 0 50 EFAA CCCn1ncnc1CN1CCC2(CC1)OCCc1ccccc12 459526830 PYOPXXDFKQYGHX-UHFFFAOYSA-N 326.444 2.752 0 50 EFAA Cc1cccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)c1 20622058 IHCZZRCMKAUZLF-UHFFFAOYSA-N 349.434 2.704 0 50 EFAA Cc1cccc2oc(CNC(=O)c3cnc(-c4cccnc4)nc3)nc12 65396311 AVZRCFMUZFVDOG-UHFFFAOYSA-N 345.362 2.918 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCc1snnc1C(C)C)C2 65385703 WVQHJSDSNICTCN-LBPRGKRZSA-N 347.440 2.538 0 50 EFAA Cc1nc(S)sc1CC(=O)NCCC[C@H]1CCCC[C@@H]1O 134478879 BKGLENWXYJLZPG-NEPJUHHUSA-N 328.503 2.730 0 50 EFAA Cc1ccn(CCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1 77392752 YGWGQPWFEVACCU-UHFFFAOYSA-N 331.391 2.791 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 77299085 KJQCRRUFYZCPDN-GFCCVEGCSA-N 335.404 2.917 0 50 EFAA CN1C[C@]2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)OC1=O 72146244 PZGIVQCEZQUATE-AWEZNQCLSA-N 332.297 2.871 0 50 EFAA CCCN1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 20595160 CQXMYDFUAMAXSQ-UHFFFAOYSA-N 330.259 2.960 0 50 EFAA CCOc1cccnc1C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 352437815 HZHOOUWEMDXKBE-UHFFFAOYSA-N 338.367 2.574 0 50 EFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](CCN)C1 67675220 MEZBXMJBIWHNSZ-HNNXBMFYSA-N 335.835 2.853 0 50 EFAA CCc1nc(CN2CCN(C(=O)Nc3ccnc(C)c3)CC2)cs1 119415925 LMTRQZRISYYZGB-UHFFFAOYSA-N 345.472 2.759 0 50 EFAA CSc1nc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccn12 119567694 IRDKGDGRRUOAQR-UGSOOPFHSA-N 345.468 2.823 0 50 EFAA CC(C)OCc1ccc(CNC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 252477539 QEYMRQRWQMXKNT-MAEOIBBWSA-N 334.460 2.962 0 50 EFAA O=C(c1ccc2cccnc2n1)N1CCO[C@H](c2ccc(F)cc2)C1 67755666 DAZWKWQBTVUXFZ-KRWDZBQOSA-N 337.354 2.983 0 50 EFAA CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 252513912 AVGVGGVDRFCEAA-AEFXTWNNSA-N 337.460 2.914 0 50 EFAA O=C(COCCc1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253396411 OKSQKDJJJQQDLK-QRVBRYPASA-N 331.456 2.788 0 50 EFAA O[C@@H](C[C@@H]1CCCCCN1c1nccn2cnnc12)c1ccco1 253423032 BGUXPHXLMCTCOL-KBPBESRZSA-N 327.388 2.590 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(CC)C3CCCC3)ccc21 77354605 YNFREQMJXLWLFW-UHFFFAOYSA-N 345.443 2.771 0 50 EFAA CC[C@H]1c2cccn2CCN1C(=O)CCN1Cc2ccccc2C1=O 77298516 XZXLCMSSJPWLMN-KRWDZBQOSA-N 337.423 2.828 0 50 EFAA Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)O)c(F)c2)cc1C 489761225 DSCAWCYNDMAVFW-UHFFFAOYSA-N 337.372 2.966 0 50 EFAA COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 241124404 JHZLFNUVJVXGMQ-HDEZJCGLSA-N 344.386 2.553 0 50 EFAA CCc1nc(CNC(=O)N[C@H]2COc3cc(OC)ccc3C2)cs1 242242327 XTXHWHIBPRXAPJ-GFCCVEGCSA-N 347.440 2.517 0 50 EFAA CNc1ncc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)s1 126083997 DHFRAMGFCHHKIT-UHFFFAOYSA-N 347.440 2.664 0 50 EFAA CCc1nc(N[C@H](C)c2c(C)nn(CC)c2C)c2cnn(C)c2n1 72163055 VLTADTUDLCCEIJ-SNVBAGLBSA-N 327.436 2.932 0 50 EFAA Cn1cc(Oc2ccccc2C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 377115745 QFGAXDUECMEAGB-PKOBYXMFSA-N 349.390 2.601 0 50 EFAA C[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237378017 UZYBXWDAWYQHRU-BLLLJJGKSA-N 329.421 2.965 0 50 EFAA O=C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)c2ccccc2N1 172495929 AOHSJDNFZSRODP-UHFFFAOYSA-N 346.390 2.790 0 50 EFAA Cc1ccccc1OC1(C(=O)O)CCN(Cc2ccccn2)CC1 82138787 SRHUCLDJFFURIE-UHFFFAOYSA-N 326.396 2.888 0 50 EFAA Cc1c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cnn1C 17071414 RKFZRKHZDSKLAY-UHFFFAOYSA-N 341.436 2.796 0 50 EFAA CC(C)(C)OC(=O)[C@H]1OC2(CCCC2)O[C@H]1C(=O)OC(C)(C)C 43199042 UDXZSVTXFJBQFH-TXEJJXNPSA-N 328.405 2.724 0 50 EFAA O=C(NCc1cccnc1-n1cccn1)[C@H]1C[C@]12CCc1ccccc12 175330030 NIXCZNDFRYVYDW-NQIIRXRSSA-N 344.418 2.788 0 50 EFAA CCOC(=O)c1sc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1C 175809326 UHAVZFPMEBRTLX-CYBMUJFWSA-N 349.456 2.711 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@@H]2c2cc(C)on2)c1C 223789473 FDYQSBZJHGIDEU-MRXNPFEDSA-N 344.415 2.753 0 50 EFAA CNc1cc(C)nc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 82121448 YETRWVUARBTYFR-HNNXBMFYSA-N 326.448 2.817 0 50 EFAA Cc1c[nH]ccc1=NCCNC(=O)N1CCc2ccc(F)cc2[C@H]1C 426701417 MCOXSRXNTKAYGB-CQSZACIVSA-N 342.418 2.692 0 50 EFAA COCc1nc(NCc2ccc(SC)cc2)cc([C@H]2CCOC2)n1 426649532 GUJFDAHYIIRXBQ-AWEZNQCLSA-N 345.468 3.461 0 50 EFAA Cc1ncsc1CCCNC(=O)N1CCC[C@@H](Cn2ccnc2)C1 426378242 TXWXDSQUWRAGHE-HNNXBMFYSA-N 347.488 2.702 0 50 EFAA O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC[C@@]2(CCCO2)CC1 97759326 SPBMVZZYXVQXAB-GOSISDBHSA-N 326.400 2.647 0 50 EFAA CCCc1noc([C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 91255161 GUWVHIREENDVKM-CQSZACIVSA-N 329.400 2.937 0 50 EFAA Cc1cccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1F 177840473 IWWYXMQKMDKKCU-UHFFFAOYSA-N 347.434 2.934 0 50 EFAA C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 95499658 BLZXVSNRELFKOP-GFCCVEGCSA-N 345.472 2.597 0 50 EFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)CCN1CCCC1=O 97553197 LXEBZCAOBAZVDB-AWEZNQCLSA-N 340.427 2.609 0 50 EFAA O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@@H]1CCCCO1 178668744 PYNKVGJUHSVQAN-AWEZNQCLSA-N 347.806 2.701 0 50 EFAA CCN1CCC(CC(=O)N[C@H](C)c2nncn2C2CCCC2)CC1 95385009 HQSHADWCPQLUDS-CQSZACIVSA-N 333.480 2.692 0 50 EFAA O=C(N[C@@H]1CCN(c2nnc(C3CCC3)o2)C1)OCc1ccccc1 95384451 XFWURCRYWQCZPT-OAHLLOKOSA-N 342.399 2.842 0 50 EFAA CN(Cc1nc2ccccc2s1)c1cc([C@H]2C[C@@H](O)C2)ncn1 244724358 MSNSRZOYEKYGPN-TXEJJXNPSA-N 326.425 2.961 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(Cl)cc1Br 299746415 XFCGUVOYGNFCBJ-KOLCDFICSA-N 335.604 2.500 0 50 EFAA Cc1ccc(CN(CCO)C(=O)[C@H]2OCCc3ccccc32)cc1 180939350 XTPLCFJUKKAXEF-IBGZPJMESA-N 325.408 2.630 0 50 EFAA O=C(CC1(n2cccc2)CCOCC1)NCc1nc2ccccc2[nH]1 263587786 LEFBXSNIENFGQE-UHFFFAOYSA-N 338.411 2.577 0 50 EFAA CCc1c(C)nn(CC(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1C 299789035 WGNPGJZHWMFFFP-UHFFFAOYSA-N 343.475 2.604 0 50 EFAA Cc1ccc(C(=O)NC2(CO)CCCCCC2)c(OCCCN)c1 299775225 IYWFBLGOSHYZRA-UHFFFAOYSA-N 334.460 2.538 0 50 EFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](c1nc(C)nn1CC(C)(C)O)(C3)C2 822692530 CLVBVMQAKLDUJE-ZWQIFLOQSA-N 333.476 2.720 0 50 EFAA COCc1nc(Cc2c(Cl)cccc2Cl)nn1CCCO 670440748 LTFJRUPIYFYFGC-UHFFFAOYSA-N 330.215 2.705 0 50 EFAA CC(C)Cc1ccccc1CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 1332670451 UCZONFQIYDPNQK-FQEVSTJZSA-N 343.471 2.695 0 50 EFAA O=C(CCNC(=O)c1ccc(CN2CCCC2)o1)Nc1ccccc1 952990171 KVDCRSKFTDYKJG-UHFFFAOYSA-N 341.411 2.634 0 50 EFAA CC(C)(Cc1ccccc1Cl)NS(=O)(=O)Cc1ccno1 1365032793 DFNAFBAVGVMLCB-UHFFFAOYSA-N 328.821 2.769 0 50 EFAA Oc1nc2ccc(CNC3CCN(Cc4ccco4)CC3)cc2[nH]1 952965397 RNRXGPISMNOSEA-UHFFFAOYSA-N 326.400 2.616 0 50 EFAA CCCCNc1nc(CC(=O)NC[C@H](C)Cn2ccnc2C)cs1 1441883886 CYTNYKYOPYTSGP-ZDUSSCGKSA-N 349.504 2.855 0 50 EFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)/C=C/c1cc(CO)cs1 952970708 LOJZEQCSLBPWAY-MVGZEHJDSA-N 342.464 2.991 0 50 EFAA O=C(COc1ccc2ccccc2c1)N[C@@H]1c2ccccc2C[C@@H]1O 303235658 ZQYPZIXUPASHGO-PZJWPPBQSA-N 333.387 2.993 0 50 EFAA CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2noc(C(C)(C)C)n2)C1 408515199 DRXGAPQZQBKRPU-AWEZNQCLSA-N 334.464 2.662 0 50 EFAA Cc1cc(N2CCC[C@@H](Nc3ncnc4cccc(F)c34)C2)n(C)n1 278128373 ZBMFGFKNHKQSTE-CYBMUJFWSA-N 340.406 2.892 0 50 EFAA COc1cccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c1OC 170598434 CGDRHGXDRDIWCA-UHFFFAOYSA-N 335.291 2.508 0 50 EFAA COc1cc2c(cc1OC)CCN(C(=O)c1ccnn1C(C)C)CC2 675752893 LAYSCNXFAQIIDG-UHFFFAOYSA-N 343.427 2.722 0 50 EFAA O=C(c1cccc(N2CCCC2)c1)N1CCC[C@H]([C@H]2CCNC2)C1 662523229 OYSKVJWNYFNJNF-ROUUACIJSA-N 327.472 2.749 0 50 EFAA Cc1csc2c(N3CCC[C@H](C(=O)NCC4CC4)C3)ncnc12 189974049 TXXZHESCIVZZJC-ZDUSSCGKSA-N 330.457 2.742 0 50 EFAA C[C@H]1CCN(Cc2nnnn2CC(F)(F)F)[C@H](c2ccco2)C1 190921523 YSLWMJZVAWZXIU-QWRGUYRKSA-N 329.326 2.802 0 50 EFAA COc1cccc(N2CCC[C@H](NC(=O)c3ncc(F)cc3F)C2)c1 192325052 MXCLJOBFHMAPCQ-ZDUSSCGKSA-N 347.365 2.767 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 794197391 LAPMYXPWPRECPC-AWEZNQCLSA-N 327.384 2.589 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2cn[nH]c2)c1 1506400992 HNACTSIFXLBWSE-KRWDZBQOSA-N 340.427 2.550 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCC[C@@H](OCc2ccccn2)C1 1506403431 BEJSHPPYAYWYDW-QGZVFWFLSA-N 348.406 2.846 0 50 EFAA NCCCCCNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772808262 KMYUKSHUMFNUPZ-AWEZNQCLSA-N 344.484 2.555 0 50 EFAA COC(=O)CNC(=O)C[C@@H](c1cccc(Cl)c1)c1ccccc1O 11662774 JKZCEVUBJBWOAP-HNNXBMFYSA-N 347.798 2.857 0 50 EFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3C)c2N)c1 11692994 IYLBNSJJRFDCMT-UHFFFAOYSA-N 335.367 2.613 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 12002157 LZNNCZGMNCJGHO-UHFFFAOYSA-N 336.457 2.624 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)NC[C@H](C)c3ccccc3)o2)no1 12748154 NMYCWUVJEMEZQE-LBPRGKRZSA-N 340.383 2.886 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1 13123856 AXWYLFOSJCFRFC-INIZCTEOSA-N 348.362 2.761 0 50 EFAA CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2ccccc2F)C1 15079308 GGHJNYHMHWSZET-OAHLLOKOSA-N 334.435 2.865 0 50 EFAA O=c1onc(-c2ccccc2Cl)n1Cc1nccn1C(F)F 1857531741 UVDLOJYEOWTOGZ-UHFFFAOYSA-N 326.690 2.797 0 50 EFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3cnccn3)C1)CC2 1857672953 BCVRAGIZGLXQKD-IBGZPJMESA-N 339.443 2.754 0 50 EFAA Cc1ccc2oc(C(=O)N[C@H]3C[C@H]4CO[C@H](C)CN4C3)c(C)c2c1 1857728214 RWRIOYIQSSPJOI-SNPRPXQTSA-N 328.412 2.641 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ccc(Br)cc1 237490434 BIEASKKHIUZRMX-FZMZJTMJSA-N 325.250 2.720 0 50 EFAA C[C@H]1N(Cc2nc3c(s2)CCCC3)CCC[C@@]12CCCNC2=O 1875251278 VJHROTLZFFNACP-ACJLOTCBSA-N 333.501 2.903 0 50 EFAA CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2cccs2)CC1 2527343 UOTHVHCXBJCCAF-ZDUSSCGKSA-N 340.445 2.817 0 50 EFAA in-vitro Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 225424639 OAZLBLXYHGZOBZ-DYWXZXKOSA-N 341.459 2.615 0 50 EFAA Cc1ccc2oc(C(=O)N[C@](C)(c3noc(C)n3)C3CC3)cc2n1 647139854 WVRWJAGUVPMARE-KRWDZBQOSA-N 326.356 2.883 0 50 EFAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCCC[C@@H]1C(=O)O 237662522 GMMTWMGHVCAQIO-GFCCVEGCSA-N 334.397 2.720 0 50 EFAA CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C1(O)CCOCC1 242242364 XUEWJEWRUGSEGO-CYBMUJFWSA-N 345.361 2.684 0 50 EFAA C[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccccc1NS(C)(=O)=O 353821606 OIKFAPPXXHBPHB-MLGOLLRUSA-N 344.436 2.575 0 50 EFAA Oc1nc(=NCc2ccc(-c3ccccc3)cc2F)nc2[nH][nH]cc1-2 488697087 UTSXSJWIJYYKPP-UHFFFAOYSA-N 335.342 2.850 0 50 EFAA C[C@H](NC(=O)N[C@H]1CN(C)Cc2ccccc21)c1cccc(O)c1 372884139 SPHBXTIRDBNSMA-UGSOOPFHSA-N 325.412 2.939 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc(C)c1OCC(=O)O 262220914 VKUHVBLFXDZLPN-CVEARBPZSA-N 347.411 2.550 0 50 EFAA CCCc1nc(-c2noc([C@H]3NCCOc4ccccc43)n2)co1 904722026 PYSXQYLSKQLQBN-HNNXBMFYSA-N 326.356 2.749 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cccc(C(=O)O)c1)O2 909118169 ZBLZXECVSAGVFL-QGZVFWFLSA-N 325.364 2.703 0 50 EFAA O=C(NCc1nc(C(F)(F)F)no1)[C@H]1CCCc2ccccc21 827755222 NLYWZOIIRVPBNQ-NSHDSACASA-N 325.290 2.825 0 50 EFAA O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1nccs1 929519652 CJDCLJBPGGPOTN-UHFFFAOYSA-N 330.335 2.876 0 50 EFAA COc1nccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)n1 935067100 DZQXNVPFZDCMBA-UHFFFAOYSA-N 347.802 2.822 0 50 EFAA CCOc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]n1 1141572451 KMEZDDACUJQWCU-UHFFFAOYSA-N 325.372 2.863 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1 952881388 GYUUUHXHPMGUNK-RLFYNMQTSA-N 348.491 2.620 0 50 EFAA O=C(O)C1CC2(C1)CC1(CC(NCc3cccn4ccnc34)C1)C2 1875306743 NOMRKEBHJTXJAK-UHFFFAOYSA-N 325.412 2.848 0 50 EFAA COc1ccc2[nH]cc([C@H](C)CNC(=O)[C@H](O)c3cccnc3)c2c1 1875302292 JCWLJWVMQAQPHZ-KZULUSFZSA-N 339.395 2.525 0 50 EFAA Cc1cccc2nc(CCNC(=O)N3CC(Cc4ccoc4)C3)cn12 895534733 ZPKOOGUNOCSSNE-UHFFFAOYSA-N 338.411 2.662 0 50 EFAA CCc1cc(N2CCC[C@H]2c2ncc(Br)cn2)ncn1 895709361 DPVZPYQGXKNPOY-LBPRGKRZSA-N 334.221 2.933 0 50 EFAA O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21 63746 DFSUOZFSCKFNKX-UHFFFAOYSA-N 338.388 2.965 0 50 EFAA O=C(Nc1ccc2c(cnn2C(F)F)c1)C(F)(F)[C@@H]1CCNC1 2325799400 SZEBZCMAIRNBLM-SECBINFHSA-N 330.285 2.615 0 50 EFAA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)cc2)NC(=O)N1 69735 ZYRGEIDNAZDGJD-KRWDZBQOSA-N 338.363 2.764 0 50 EFAA CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1 379590 GAYMONLGDLIAOV-UHFFFAOYSA-N 333.409 2.617 0 50 EFAA CS(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 453445 FCOCUPBPVMNYEJ-UHFFFAOYSA-N 344.436 2.545 0 50 EFAA Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 468515 VBHHJNOVSODYRA-UHFFFAOYSA-N 328.372 2.991 0 50 EFAA O=C([C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 998450 BHXULWGDSVDGDV-AWEZNQCLSA-N 328.334 2.533 0 50 EFAA Cc1ncsc1CN(c1cccc(-n2cccn2)c1)S(C)(=O)=O 2356158430 KAYZXTUBFUJCEC-UHFFFAOYSA-N 348.453 2.603 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 4156476 WGLBVSUVLNRMNR-AWEZNQCLSA-N 338.404 2.750 0 50 EFAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1 6698260 GIEHGPMXMIPVGO-ZDUSSCGKSA-N 326.418 2.818 0 50 EFAA C[C@H](C(=O)N1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 6729813 JUSRVWZFUNLMKJ-GFCCVEGCSA-N 344.864 2.507 0 50 EFAA CCOc1ccccc1OCCN(C)C(=O)c1c(Cl)cnn1C 55281957 KPUMXROALFKFKS-UHFFFAOYSA-N 337.807 2.623 0 50 EFAA C[C@@H](CN(C)C(=O)c1ccccc1C(=O)c1cccs1)C(=O)O 225460801 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EFAA CC(C)NC(=O)CN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71774818 VFWRKDWLDITCIT-LJQANCHMSA-N 349.494 2.883 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)C1 373439703 DGYGQMXJOWPJDA-QGZVFWFLSA-N 337.423 2.792 0 50 EFAA O=C(C[C@H]1C=CCC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72438890 PBVUOXUJFUBVNR-HNNXBMFYSA-N 329.396 2.868 0 50 EFAA Cc1ccc2cc(CN[C@H]3CCN(C(=O)c4cccnc4)C3)ccc2n1 376971915 OAAUSJWCGJRJHI-IBGZPJMESA-N 346.434 2.943 0 50 EFAA CCN(Cc1noc(C)n1)C(=O)Cc1cccc(C(F)(F)F)c1 219003239 KVORKVLJGSEGRM-UHFFFAOYSA-N 327.306 2.988 0 50 EFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc(Oc2cnccn2)c1 237387446 DPFTYRCRUQBOCK-CJNGLKHVSA-N 326.400 2.611 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CC[C@@H](N)C[C@H]3C)c2)cc1 237448011 OWRMVNUZXYHBLH-CXAGYDPISA-N 325.412 2.709 0 50 EFAA COc1ccnc(CN2CC[C@@H](n3ncc4ccccc43)C2)c1OC 239782424 COKWDTPRMFLWER-OAHLLOKOSA-N 338.411 2.896 0 50 EFAA O=C(NCC1(OCCO)CCOCC1)Nc1ccc(C2CCC2)cc1 337545303 UQTZDQIQFBKBLV-UHFFFAOYSA-N 348.443 2.634 0 50 EFAA Cc1oc2ccccc2c1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 286734803 IEBQUFKMIUBBHZ-IBGZPJMESA-N 344.411 2.832 0 50 EFAA O=C(NCC1(C(=O)O)CCCCC1)c1cccc([C@H]2CCOC2)c1 263324830 KBPIDIVKIPIVLQ-INIZCTEOSA-N 331.412 2.955 0 50 EFAA CS(=O)(=O)Cc1ccccc1NC(=O)c1cccc2c1CCC2 194916276 NFBYNNPIHVPLLO-UHFFFAOYSA-N 329.421 2.972 0 50 EFAA CC1(C)C(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)C1(C)C 223347697 IFAYQRHWIPIKSI-HZPDHXFCSA-N 347.455 2.514 0 50 EFAA Oc1nc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)nc2ccccc12 339781507 TZRANNUNEJZIEH-CJNGLKHVSA-N 325.343 2.787 0 50 EFAA CC(C)n1cc([C@@H]2CN(C(=O)c3ccoc3Cl)C[C@H]2CO)cn1 284805049 HJDUHPPOANAKBN-JSGCOSHPSA-N 337.807 2.559 0 50 EFAA CSC[C@H]1CCCN(C(=O)c2ccc(C)cc2OCCCN)C1 426622904 HPDGRJKEACONNL-HNNXBMFYSA-N 336.501 2.938 0 50 EFAA Cc1noc(C2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)n1 179008615 DHAGXOYIZDTPGS-UHFFFAOYSA-N 330.388 2.580 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CCCN2CCCCC2)n1 95365947 VRTDXCAMAHVTGX-UHFFFAOYSA-N 344.381 2.686 0 50 EFAA COc1nc2ccccc2cc1-c1ccc(C(=O)N2CCOCC2)cn1 97711857 DMRNKELBSYIZLA-UHFFFAOYSA-N 349.390 2.778 0 50 EFAA CC(C)N1CC[C@@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 426613575 GYPFTCWKYOXZPV-AWEZNQCLSA-N 347.488 2.563 0 50 EFAA CCOc1ccc([C@@H](O)C2CCN(Cc3ccnn3C)CC2)cc1 291263846 NEBBCPSTEQMBLA-LJQANCHMSA-N 329.444 2.764 0 50 EFAA CCCn1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)c(C)n1 95508642 ALTDIQNYLBWOOI-HNNXBMFYSA-N 333.363 2.686 0 50 EFAA O=C(c1ccsn1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 333656020 FWQBSIBSDFHKTK-UHFFFAOYSA-N 330.335 2.836 0 50 EFAA Cn1ccnc1C1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 91746197 FQQWLKWSKNVZCV-UHFFFAOYSA-N 335.411 2.830 0 50 EFAA CCOc1ccc([C@H](C)NC(=O)c2cc(CC)[nH]c(=O)c2)cc1F 97657196 NXMNPCBTCHJXPB-NSHDSACASA-N 332.375 2.966 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-c1ncc[nH]1 244691777 JJENKXTWQHCJPP-HBUWYVDXSA-N 348.406 2.714 0 50 EFAA CC(=O)Nc1cccc(NC(=O)CCN(C)CC[C@@H]2CCCCO2)c1 243893434 ARCQHGNHCPKAJN-SFHVURJKSA-N 347.459 2.865 0 50 EFAA O=C(c1ccsn1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 295776960 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343.379 2.593 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCOc3c(F)cccc32)n[nH]1 188217183 SCPUKVNKMDXUGT-BMIGLBTASA-N 332.379 2.611 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 189618644 PDPWBVWJYPMFON-LBPRGKRZSA-N 339.395 2.930 0 50 EFAA CCCOc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)c(C)c1 191018404 FLATUEOZJIEMAD-MRXNPFEDSA-N 343.431 2.710 0 50 EFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)c(O)c(Cl)c1 194897214 WUEAJTBTSXYNNZ-MEBBXXQBSA-N 345.823 2.969 0 50 EFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1c(O)cc(F)cc1F 195287177 ZDRJQROBXNCLMV-NSHDSACASA-N 335.306 2.582 0 50 EFAA c1cncc(-c2nc3c(c(N[C@@H]4CCN(CC5CC5)C4)n2)CCC3)c1 676081314 XHGBKBIWXYXNIS-MRXNPFEDSA-N 335.455 2.924 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 1506420200 YDMPZNLIGFNZCY-MRXNPFEDSA-N 326.444 2.554 0 50 EFAA Cc1ccc(C(=O)N2CCCN(Cc3c(C)n[nH]c3C)CC2)cc1C 1772818732 XJTBAJZBTJXLAC-UHFFFAOYSA-N 340.471 2.991 0 50 EFAA O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1ccsc1 12745573 IOCKLEJQVVBPFF-MRXNPFEDSA-N 328.437 2.712 0 50 EFAA Cc1cc(C(=O)N2CCC(CO)(CCOc3ccccc3)CC2)no1 12753452 CRQVEBOSOKBQOS-UHFFFAOYSA-N 344.411 2.667 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CCC3)nc2)C1 14967129 ZXJODNJYYBMWGS-HNNXBMFYSA-N 330.476 2.754 0 50 EFAA Cc1ccccc1CS(=O)(=O)N1CCN(c2ccccc2F)CC1 16579456 HWSOLBLYPSHXCQ-UHFFFAOYSA-N 348.443 2.786 0 50 EFAA CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1 18042869 OMJRHSWBDCFQGM-SNVBAGLBSA-N 338.820 2.636 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc3[nH]c(C)c(C)c3c1)C2 1857678244 JXALNSUWGFNRGB-LJQANCHMSA-N 341.411 2.842 0 50 EFAA O=C(NCc1csc(-c2cccs2)n1)[C@H]1CCn2nccc2C1 1857715570 YCUWEYOJZKNJQG-NSHDSACASA-N 344.465 2.947 0 50 EFAA CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 230193424 ZZWRITWREIDHRD-CEMLEFRQSA-N 348.446 2.532 0 50 EFAA O=S1(=O)N=C(Nc2ccccc2N2CCCC2)c2ccccc21 5269294 LONXCUOJVJLTIP-UHFFFAOYSA-N 327.409 2.848 0 50 EFAA CC(=O)NCC1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 330952118 KWMCPNITUBQZRS-UHFFFAOYSA-N 344.242 2.564 0 50 EFAA O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCc2cccc(Cl)c2C1 333899961 SMGKADWHPLBWIN-GFCCVEGCSA-N 330.819 2.688 0 50 EFAA C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 670419691 JKIYZPMBJMBWFL-HNNXBMFYSA-N 326.396 2.660 0 50 EFAA C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCc2ccn(C)n2)C1 680630668 TWVVWQQLHIGUPB-GUYCJALGSA-N 330.407 2.894 0 50 EFAA COc1ccc([C@@H]2CCN(C(=O)NC3CCN(C4CC4)CC3)C2)cc1 158475995 CZJINBWWYYBFGD-MRXNPFEDSA-N 343.471 2.821 0 50 EFAA COc1ccc([C@@H](NC(=O)c2oc(C3CC3)nc2C)C(=O)O)cc1F 262942569 GTIHKTMMONYKHW-CYBMUJFWSA-N 348.330 2.564 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(Cl)cc2)C1 264830051 ICVFJKYXEJYEIB-OAHLLOKOSA-N 342.826 2.963 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@@](C)(C(=O)O)c1ccccc1 902086989 HNTNPMVWKUBQEX-GOSISDBHSA-N 327.384 2.638 0 50 EFAA C[C@@H](NC(=O)c1ccc(CN2CCN(C)CC2)s1)c1ccco1 1875279890 KDNGRROJUPHKKD-CYBMUJFWSA-N 333.457 2.580 0 50 EFAA COc1ccc2ccc(NC(=O)N3CCc4c(ncn4C)C3)cc2n1 1875296872 SJUKKUWDWXWDJC-UHFFFAOYSA-N 337.383 2.567 0 50 EFAA CCOc1cccc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1 1875316550 YQVZNQRKMOXVIX-UHFFFAOYSA-N 336.395 2.639 0 50 EFAA O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)C12CC(C3CNC3)(C1)C2 1875406029 VGEYSFGVKBEBGD-MRIGUKBISA-N 328.481 2.816 0 50 EFAA Cc1cnc(O)n1-c1ccc(C(=O)N2CCOC[C@]2(C)C2CC2)cc1 890584721 TVICUTUATIPXKP-LJQANCHMSA-N 341.411 2.527 0 50 EFAA O=C(NCc1ccc2ccc(Br)cc2c1)N1CC[C@@H]1CO 896424071 XJFJGTYZJLTADO-OAHLLOKOSA-N 349.228 2.879 0 50 EFAA Cn1nccc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 710444438 UYOUUZWNOWSQEK-CQSZACIVSA-N 336.480 2.935 0 50 EFAA Cc1ccc(N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1 87656 QWDZNXCPJFXKPW-GOSISDBHSA-N 333.391 2.992 0 50 EFAA COc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1OC 39180 BTPFLWWRYZOWPQ-NSHDSACASA-N 327.336 2.907 0 50 EFAA COC(=O)[C@H](OC(=O)c1cc(O)nc(Cl)c1)c1ccsc1 2325747199 RYTXHCLWMTZQPO-LLVKDONJSA-N 327.745 2.573 0 50 EFAA CN(CCc1cnc[nH]1)C(=O)[C@H]1COc2ccc3ccccc3c2C1 2325798898 IMEFOXKXDSUCML-OAHLLOKOSA-N 335.407 2.815 0 50 EFAA Cc1ccc(C[C@@H](CC(=O)O)NC(=O)c2cc(C3CC3)[nH]n2)c(C)c1 2325799721 SYMMVVVUSKKVJN-HNNXBMFYSA-N 341.411 2.720 0 50 EFAA CN[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 2325800844 ITTBINZPWLHDGO-ZJUUUORDSA-N 331.229 2.633 0 50 EFAA CC(C)Oc1ncccc1C(=O)N1CCc2ccc(C(=O)O)cc21 908064378 YJETYTABOMLOJA-UHFFFAOYSA-N 326.352 2.770 0 50 EFAA NS(=O)(=O)c1ccc(CCN[C@H]2CC[C@H](c3ccccc3)C2)cc1 130407183 BZCDIQHWHFYPHN-ROUUACIJSA-N 344.480 2.802 0 50 EFAA COC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 243141 PEANRFKFFVOHKA-HNNXBMFYSA-N 340.379 2.571 0 50 EFAA COc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)c(OC)c1 619811 CRKGMOVHTNVPIT-CYBMUJFWSA-N 329.352 2.872 0 50 EFAA Cn1nccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356151106 RTQVMBIKORVUQQ-HXUWFJFHSA-N 338.455 2.577 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1F)Nc1ccccc1 4539546 FLOBKMULNBDAJU-UHFFFAOYSA-N 329.360 2.532 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1OC 6725809 CFFJBPQASGDRHD-HUUCEWRRSA-N 347.411 2.767 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 248129299 MPTVTKKGSYTLOY-QWHCGFSZSA-N 327.350 2.799 0 50 EFAA COCCn1ccnc1CN(Cc1ccsc1)C[C@@H]1CCCO1 55360947 JYEZTLWLWACGLY-INIZCTEOSA-N 335.473 2.772 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)C3CCOCC3)C2)c1 20118844 SCLNUFFJKKPUSL-HNNXBMFYSA-N 333.428 2.739 0 50 EFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)ccc1Cl 100178940 AUAYQCODRLOXOU-CHPZLBCBSA-N 345.782 2.828 0 50 EFAA CCOC(=O)c1c(N)c2c(N(C)C)nccc2n1Cc1ccccc1 22147164 FGURNNDMXLJDLL-UHFFFAOYSA-N 338.411 2.910 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)c1cn2c3c(cccc3c1=O)CC2 55568742 DKEOHVFDWCRACX-NSHDSACASA-N 339.420 2.847 0 50 EFAA Cc1ccc(O)c(CN2CCN(c3cccc(C(C)C)n3)CC2)n1 67694536 RLBUQEGSDNCLKG-UHFFFAOYSA-N 326.444 2.936 0 50 EFAA COc1ccc2cc(CN3CCOC[C@H]3CC(C)C)c(=O)[nH]c2c1 67560288 XKGBJJGWVJSJMD-MRXNPFEDSA-N 330.428 2.784 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(OC)c1OC 249701587 YQDAEZKZHBLBQE-HZPDHXFCSA-N 332.444 2.793 0 50 EFAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](OCc2ccccn2)C1 67649326 AKNMMUPEGRGPPE-OAHLLOKOSA-N 340.427 2.505 0 50 EFAA CN(Cc1cccc(C(=O)Nc2nccs2)c1)Cc1cnccn1 67459224 HTIQXJRIONDSDW-UHFFFAOYSA-N 339.424 2.817 0 50 EFAA CCn1c(SCC(=O)OC)nnc1-c1ccc(OC(F)F)cc1 2793668 KIEWVDYGCAHLES-UHFFFAOYSA-N 343.355 2.832 0 50 EFAA O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 229514332 JEHSTBJFVQUORH-GYSYKLTISA-N 341.238 2.882 0 50 EFAA COc1ccc(C(=O)NCCN2CCC(C)CC2)c(OC(F)F)c1 252492264 MGZLJRWRQLHAGC-UHFFFAOYSA-N 342.386 2.758 0 50 EFAA CC1([C@@H]2CCCN(C(=O)N[C@H]3[C@@H]4c5ccccc5C[C@H]43)C2)OCCO1 230195718 XGGGCGMGKOGHGU-VDHUWJSZSA-N 342.439 2.509 0 50 EFAA Nc1nccc(N2CCC(Cc3ccccc3Cl)(C(=O)O)CC2)n1 71639316 BXLTXNWLAIFHEB-UHFFFAOYSA-N 346.818 2.626 0 50 EFAA C[S@](=O)Cc1cccc(NC(=O)[C@@H]2OCCc3ccccc32)c1 121436386 CBCDOXWNUCPVDU-UZUQRXQVSA-N 329.421 2.818 0 50 EFAA CN1CCN(Cc2ccccc2OCCO)C[C@@H]1c1ccccc1 215823093 SVDXPRZLVLFWBB-LJQANCHMSA-N 326.440 2.546 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cc(-c2ccccn2)no1 72161781 LACAMCZUHXEXQW-SFHVURJKSA-N 327.384 2.798 0 50 EFAA C[C@H]1CCCCN1CCC(=O)Nc1ccn(CCc2ccncc2)n1 253406047 VGMZUZCYRHDPQX-INIZCTEOSA-N 341.459 2.724 0 50 EFAA COc1ccc(-n2ccnc2CN(C)Cc2nc(C3CC3)no2)cc1 215555750 VJJWNKFMYVIOQO-UHFFFAOYSA-N 339.399 2.773 0 50 EFAA O=S(=O)(c1ccc(-c2ccno2)s1)N1CC(c2ccncc2)C1 72143836 RGSAKWVVETXUOW-UHFFFAOYSA-N 347.421 2.586 0 50 EFAA Cc1oc(C)c(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1C 328615179 XZWWVEZDSJJBPH-ZDUSSCGKSA-N 333.388 2.925 0 50 EFAA O=S1(=O)CCC(CN2CC(c3nc4ccccc4s3)C2)CC1 328685127 XGEGCJWGNXNFBH-UHFFFAOYSA-N 336.482 2.520 0 50 EFAA Cc1nc2ccccc2cc1C(=O)N(CCS(C)(=O)=O)C(C)(C)C 123295938 BHNWGHUMMSZTAC-UHFFFAOYSA-N 348.468 2.829 0 50 EFAA c1cnc(Oc2ccc(CN3CCC[C@@H]3Cn3cncn3)cc2)cn1 359977377 KOLPYYDALXXUJM-MRXNPFEDSA-N 336.399 2.525 0 50 EFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 363307887 WVMUDIXMJRUMFX-GOEBONIOSA-N 329.419 2.829 0 50 EFAA Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccccc2O)n1 71755260 FALXYAUFJGPROB-CYBMUJFWSA-N 339.317 2.925 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)N2CCC(c3cccc(F)c3)CC2)C1 363842511 FYFIQJLQTVVBPI-KRWDZBQOSA-N 347.434 2.726 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 237996499 ZTCCCDLZAJPLTI-CQSZACIVSA-N 345.374 2.871 0 50 EFAA O=S(=O)(NCCc1ccco1)C1CCC(C(F)(F)F)CC1 331345246 VFMLURDYKWDRMZ-UHFFFAOYSA-N 325.352 2.863 0 50 EFAA O=S1(=O)CCC[C@@H](Nc2cnn(-c3ccccc3Cl)c2)C1 367610365 PYFSSPHIYVTFOP-LLVKDONJSA-N 325.821 2.515 0 50 EFAA CC(C)CCn1nc(CNC(=O)/C=C/CN(C)C)c2ccccc21 493437090 VDGGJZWAPXILLF-JXMROGBWSA-N 328.460 2.816 0 50 EFAA CN(C(=O)[C@H]1CCCC(F)(F)C1)C1CCN(c2cccnn2)CC1 370248201 AUBXLBDCNAUECK-ZDUSSCGKSA-N 338.402 2.729 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)Cc2cccc(C(=O)O)c2)o1 262213348 QCLIMUCQXHPPLI-MRXNPFEDSA-N 343.379 2.683 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3ccc(O)cc3)CC2=O)cc1 82115634 QKEOQMUQRQVKOH-OAHLLOKOSA-N 338.407 2.507 0 50 EFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H](C)c1cccc(F)c1 457250302 CLTMNUPTDHRFQC-ZDUSSCGKSA-N 347.434 2.955 0 50 EFAA CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C)nc3C)cc2)C1 426544538 WSSFDSRAYRWBOO-GOSISDBHSA-N 337.423 2.716 0 50 EFAA Cc1ccn2c(F)c(C(=O)NCCCc3c(C)noc3C)nc2c1 426502839 FDGQQXCTEXRKCX-UHFFFAOYSA-N 330.363 2.749 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 263301096 DFZYTPSGMBLHHM-QGZVFWFLSA-N 343.354 2.667 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)Nc1cc(F)c(F)cc1Cl 176726153 DFACZARBSICGQX-MRVPVSSYSA-N 325.764 2.929 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@H](CO)C1 174702975 YKXMOVXHDBLWMU-KBXCAEBGSA-N 328.387 2.820 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)NCC[C@H]1CCCCO1 426444422 DMWHPTGPZGUNRY-GOSISDBHSA-N 342.443 2.973 0 50 EFAA O=C(Nc1cnc(-c2ccccc2)nc1)NC1CCC(C(=O)O)CC1 263496963 RFMXBMOKRRJRJI-UHFFFAOYSA-N 340.383 2.909 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)cc1F 227154894 QXNOCZJQHGEHFJ-UHFFFAOYSA-N 331.315 2.591 0 50 EFAA CC1(C)CC(N[C@@H]2COCC[C@H]2OCc2ccccn2)CC(C)(C)N1 222257217 YXUYHTBVKYMXEB-QZTJIDSGSA-N 347.503 2.655 0 50 EFAA CCCn1nc(C)c(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1C 95375478 IPCLHTGLKYRKNC-SFHVURJKSA-N 346.450 2.968 0 50 EFAA O=C(O)c1cccc(N2CCC([C@H](O)CCc3ccccc3)CC2)n1 95531216 NFEBDBQPGLPVEH-GOSISDBHSA-N 340.423 2.990 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1 97743001 UKWROAYOUPRLCK-LBPRGKRZSA-N 327.388 2.782 0 50 EFAA CCc1ccc(CN(C)[C@@H](C(=O)O)c2c(OC)cccc2OC)nc1 95368550 QTSRYUIUTAFODN-GOSISDBHSA-N 344.411 2.919 0 50 EFAA Cc1nc(CCNC(=O)[C@@H](C)n2ccnc2C(C)C)nc2c1CCC2 95352228 ZQTBAJHCVHMUMZ-CQSZACIVSA-N 341.459 2.514 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(C(C)=O)s1)C2 91707048 UIRINHQTYMHDMR-GFCCVEGCSA-N 345.420 2.940 0 50 EFAA O=C(CN1CC2(CCCC2)CC1=O)N1CC[C@H](c2ccccc2F)C1 95503380 LIBKEABRLMIMJQ-HNNXBMFYSA-N 344.430 2.934 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1C 97347375 YHAJIRNIOMKMIG-HNNXBMFYSA-N 346.500 2.801 0 50 EFAA Cn1ccnc1CN(Cc1cc(F)ccc1-n1cccn1)C1CC1 97805479 LKIQCKODAYEEHI-UHFFFAOYSA-N 325.391 2.910 0 50 EFAA Cn1cc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)c2ccccc21 243892563 AIVVRCFTWSIOJY-SIXWZSSISA-N 349.434 2.685 0 50 EFAA Cc1nnc(CNc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)n1C 180566724 CWVLYWIUPDTTFY-KBPBESRZSA-N 341.459 2.854 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3nnc(-c4ccccc4)o3)C2)no1 244723814 MHUHBUUDUDCPRZ-AWEZNQCLSA-N 325.372 2.808 0 50 EFAA Cc1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1C 294691920 MRFADQDNHGLQHL-YJBOKZPZSA-N 341.407 2.526 0 50 EFAA COc1ccc(NC(=O)CN(C)CCCn2cccn2)cc1Cl 252490668 KYVFDDRJVQFIIU-UHFFFAOYSA-N 336.823 2.506 0 50 EFAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(CCNC(=O)c2ccco2)o1 299747142 CCAMUDVSSDNBOX-FZMZJTMJSA-N 333.388 2.554 0 50 EFAA C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(Oc2ccccc2)CC1 184285913 ALUJDGHGPCGYSF-LLVKDONJSA-N 337.363 2.810 0 50 EFAA Cc1ccc(CN(C(=O)CN2CC[C@@H](N(C)C)C2)C2CCCC2)cc1 252482696 DMDINFFIYCMKOQ-HXUWFJFHSA-N 343.515 2.902 0 50 EFAA C[C@@H](c1ccncn1)N(C)C(=O)NC(C)(C)CN1CCCCCC1 534592822 KVHLTGGCGPMLQU-HNNXBMFYSA-N 333.480 2.834 0 50 EFAA Cc1ccc(OC[C@@H](C)NC(=O)N2CC(n3nc(C)cc3C)C2)cc1 534633667 NYVJQZVSPCOVHU-OAHLLOKOSA-N 342.443 2.842 0 50 EFAA CC(=O)N1CCC[C@@H](NC2CCN(c3cc(C)cc(C)c3)CC2)C1 534653035 IYDUJJOXXWOEKI-LJQANCHMSA-N 329.488 2.873 0 50 EFAA CC(C)c1nnc([C@@H](C)NC(=O)CCc2n[nH]c3c2CCCC3)o1 299779618 SGFFYQPVPADQMY-LLVKDONJSA-N 331.420 2.605 0 50 EFAA C[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12 299773477 CGLSDNNUDUDVIO-JTQLQIEISA-N 332.791 2.631 0 50 EFAA CN1CCC(CNC(=O)[C@H](O)C2CCCCC2)(c2ccccc2)CC1 299792586 GHPLJFKEQBTQKV-LJQANCHMSA-N 344.499 2.707 0 50 EFAA CC(=O)Nc1ccccc1SCC(=O)NCc1cccc(CO)c1 828827585 JJHXAVLDPLGABV-UHFFFAOYSA-N 344.436 2.546 0 50 EFAA CCCCn1nc(Cc2cccc(Cl)c2)nc1[C@@H]1C[C@@H](O)CN1 822888739 IQEGGKQUYPPERJ-CABCVRRESA-N 334.851 2.718 0 50 EFAA O=C(CCc1cccnc1)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565516482 JFUSPRKOHGVPOO-ROUUACIJSA-N 344.386 2.506 0 50 EFAA NC(=O)c1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 304005953 SVAJNEADFVENMQ-IBGZPJMESA-N 342.414 2.870 0 50 EFAA O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccnc(O)c1 408514722 UPHDJNKAQPNTQI-ZDUSSCGKSA-N 341.194 2.948 0 50 EFAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCC(CO)CC1 269501297 NBDVASRJFZHSPH-UHFFFAOYSA-N 346.456 2.532 0 50 EFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1 170021381 SDQJVUYSLURMGK-HHARLNAUSA-N 336.476 2.525 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC[C@H](C)C2)C12CCCC2 170637338 HNNCPYNNTCPSON-ARFHVFGLSA-N 344.521 2.633 0 50 EFAA CO[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CC[C@H]1C 190614977 YPCHPCUTHLNINR-QAPCUYQASA-N 331.460 2.722 0 50 EFAA COc1cccnc1CC(=O)N[C@@H]1CCCOc2cc(F)ccc21 684835005 OSQHYQPIEXIIGK-CQSZACIVSA-N 330.359 2.802 0 50 EFAA O=C1CCCC[C@H](C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)N1 193867588 OXVVLYLTZFFELW-CYBMUJFWSA-N 338.367 2.820 0 50 EFAA COc1ccc2c(C)cc(NCCCN3CCC[C@@H](O)C3)nc2c1 1506426874 JVBWAHJIXCGILB-OAHLLOKOSA-N 329.444 2.811 0 50 EFAA CSc1cccc(CN(C)c2nccc(N3CCC[C@@H](O)C3)n2)c1 1506400604 WOXXJHIEGMDOOY-OAHLLOKOSA-N 344.484 2.796 0 50 EFAA Cc1c(NC(=O)c2ccc3c(c2)CCCO3)c(N2CCCC2)nn1C 1529099412 WXIREUPYWKXGQP-UHFFFAOYSA-N 340.427 2.906 0 50 EFAA C[C@@H]1CCCN(C(=O)c2sccc2Br)[C@@H]1C(=O)O 235296452 SXXDPFLXAONCCM-APPZFPTMSA-N 332.219 2.836 0 50 EFAA C[C@@H](C(=O)N1CCCN(c2cnccn2)CC1)c1ccc(Cl)cc1 1772818302 CUEMRFNNMVTJKO-CQSZACIVSA-N 344.846 2.972 0 50 EFAA C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)O1 13425526 LDZNUSPFEHIING-TXEJJXNPSA-N 341.249 2.887 0 50 EFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1 11903399 SOCOMGSFLHUJAT-UHFFFAOYSA-N 341.795 2.856 0 50 EFAA CSc1nnc(CNC(=O)c2ccoc2)n1-c1ccc(F)cc1 12131034 XHVBQTZNVOKTMN-UHFFFAOYSA-N 332.360 2.651 0 50 EFAA CN(C(=O)CCn1cccn1)[C@H]1CCCN(Cc2ccccc2F)C1 12708524 WQBVBKJLQJMSRF-KRWDZBQOSA-N 344.434 2.535 0 50 EFAA Cc1ccc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)o1 15073487 RQHZUAMAVJQWCE-LJQANCHMSA-N 334.460 2.611 0 50 EFAA COc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)ccc1O 18177859 KMDMVAOTISXADM-UKTHLTGXSA-N 326.377 2.663 0 50 EFAA CS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cc1 1857680904 QVBLXFRUIZMTOU-UXLLHSPISA-N 335.469 2.575 0 50 EFAA CCOC[C@@H](O)CN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 221944745 AVEUURGHXAERNU-SJORKVTESA-N 329.444 2.654 0 50 EFAA C[C@]1(CNC(=O)NC[C@H]2CC[C@H](O)C2)CCCN1Cc1ccccc1 225411503 DIYSTTZUZVZMFR-CMKODMSKSA-N 345.487 2.501 0 50 EFAA C[C@@H](O)CNC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 225498216 UJOLBHVTERYSSS-TZMCWYRMSA-N 345.468 2.596 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)c(C)s1 315411957 RLFDJTFKJVLSDJ-ZDUSSCGKSA-N 339.438 2.512 0 50 EFAA C[C@@H]1CN(C(=O)NCC2(CF)CCOCC2)Cc2ccccc2O1 653106481 OOLRRLWCMKBBHM-CQSZACIVSA-N 336.407 2.745 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 451664741 ZXNRMVWUACUKDD-HNNXBMFYSA-N 334.441 2.741 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 668269236 GUVLCGLJWNACAA-SMDDNHRTSA-N 325.792 2.568 0 50 EFAA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cccc3cccnc23)C1 372130369 LLVHWIMFSXHPJB-KRWDZBQOSA-N 345.402 2.942 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2ccc3oc(O)nc3c2)C1 805654316 RHXZRFGLFPNIKI-GRYCIOLGSA-N 346.383 2.583 0 50 EFAA Brc1cnc([C@@H]2CCCCN2Cc2csnn2)nc1 932518445 IVKMDCLIFDOQEA-NSHDSACASA-N 340.250 2.818 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2[C@@H](C)CCCN2C(=O)c2ccon2)cc1 945737669 QANGPCWEMXQDAT-WMLDXEAASA-N 341.411 2.654 0 50 EFAA O=S(=O)(N[C@H](c1cccs1)C1CC1)c1cnc2ccccn12 1875288548 LLJNUPNQEXVOEW-HNNXBMFYSA-N 333.438 2.825 0 50 EFAA Cc1cc(CN=c2ccn([C@@H]3CC3(F)F)[nH]2)nc(N2CCCCC2)n1 1875284143 OEOIJIQAUGMVPB-CQSZACIVSA-N 348.401 2.586 0 50 EFAA Cc1cc(C(=O)NCCc2ccc3c(c2)CCOC3)sc1C(=O)O 1875316146 XIDSNUGAMRTNFU-UHFFFAOYSA-N 345.420 2.800 0 50 EFAA O=S(=O)(N[C@@H]1CC[C@H]2CC[C@H]1OC2)c1cnc(-c2ccccc2)o1 1875396385 FDCLVOYRXCSDNW-NWANDNLSSA-N 348.424 2.578 0 50 EFAA CC(C)[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1cnn(C)c1 885441426 YJKJAFOLWTXQQZ-INIZCTEOSA-N 340.431 2.873 0 50 EFAA Cc1ccccc1CCC(=O)NC1(c2ncccn2)CCOCC1 886939396 UKYZBMFRUXVWCG-UHFFFAOYSA-N 325.412 2.540 0 50 EFAA COc1ccc(OC(C)(C)C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 891091285 UUDBRBMXAXVHIF-QZTJIDSGSA-N 341.407 2.627 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2nc(C)sc2Br)C1 342835976 RBRNUVWUABJPTF-SECBINFHSA-N 333.251 2.713 0 50 EFAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1 128822 MHJXWXVJOUVQLA-UHFFFAOYSA-N 332.307 2.831 0 50 EFAA COC(=O)c1sc2cc(I)ccc2c1N 396247563 DLYXSBTXCIMPIH-UHFFFAOYSA-N 333.150 2.875 0 50 EFAA O=C(O)[C@H](Cc1ccc2c(c1)OCCCO2)NCc1cccs1 2325744766 BVMKBNOLVIJSBL-AWEZNQCLSA-N 333.409 2.695 0 50 EFAA CC(C)OC(=O)c1cc2c(OC[C@H](O)CNC(C)(C)C)cccc2[nH]1 127 SJYFDORQYYEJLB-CYBMUJFWSA-N 348.443 2.861 0 50 EFAA in-man NS(=O)(=O)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1 88465 KYRVEMOUFOQCBX-UHFFFAOYSA-N 332.410 2.596 0 50 EFAA CCn1c(SCC(N)=O)nnc1-c1ccc2[nH]c(C)c(C)c2c1 221633 TZJVZSBGZWFZNU-UHFFFAOYSA-N 329.429 2.641 0 50 EFAA Cc1cc(Br)ccc1OCC(=O)NCc1ccccn1 3003538 WBAHMWXREQGRJR-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C)cc1 4843144 PUWHDWSXJOWZGT-UHFFFAOYSA-N 332.425 2.687 0 50 EFAA Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@@H]2[C@@H]1CC=CCC1 10385397 NDSXEAOGJROIBK-ZBFHGGJFSA-N 327.432 2.674 0 50 EFAA O=C(NC[C@@H]1COCCO1)Nc1ccc(Cl)cc1C(F)(F)F 56650739 WSYXCILQRBLGIS-SECBINFHSA-N 338.713 2.896 0 50 EFAA C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)COc3c(Cl)cccc32)C1 9189675 XDPOLFVSKSCMHP-RYUDHWBXSA-N 336.819 2.570 0 50 EFAA Nc1ncccc1CN1CCC[C@@H](Cn2cc(-c3ccccc3)nn2)C1 20149549 MNFPUWYLTAAEGU-MRXNPFEDSA-N 348.454 2.835 0 50 EFAA Fc1cccc(CN2CCN(Cc3cccc4c3OCO4)CC2)c1 55309726 AKWKOAXYNLVHJE-UHFFFAOYSA-N 328.387 2.872 0 50 EFAA COCCN(Cc1cccs1)C[C@]1(O)CCCN2CCCC[C@@H]21 63882498 JIBXTSROGFDGHD-QZTJIDSGSA-N 338.517 2.576 0 50 EFAA CCc1c(C(=O)N[C@H](COC)c2ccnn2C)[nH]c2ccccc12 67834116 QFYVBHLLLOIYSW-OAHLLOKOSA-N 326.400 2.581 0 50 EFAA Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(=O)n1C 67841810 GHUIIKSGIUNYMR-INIZCTEOSA-N 346.814 2.561 0 50 EFAA CO[C@H]1C[C@@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)N(C)C1 343662894 HTRSPUGOCODBEJ-KXBFYZLASA-N 341.455 2.593 0 50 EFAA CN([C@@H](c1ccccc1)c1ccccn1)S(=O)(=O)C[C@H]1CCCO1 248099862 HGVDZYQNQYKPKX-AEFFLSMTSA-N 346.452 2.612 0 50 EFAA CCC(=O)N1N=C(c2c(O)cc(C)oc2=O)C[C@H]1c1ccccc1 170625909 CKSSCWHCMGMLHB-AWEZNQCLSA-N 326.352 2.742 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348244819 NQNHFKSPILVXPK-CXAGYDPISA-N 349.381 2.572 0 50 EFAA COc1ccc2nc(CN[C@@H](CCCO)c3ccccc3)[nH]c2n1 355023141 CUHZZLKTLOZJNS-AWEZNQCLSA-N 326.400 2.570 0 50 EFAA CCCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccoc1 349028494 AHZFMJBMGBIREA-UHFFFAOYSA-N 325.342 2.567 0 50 EFAA CCn1ncnc1[C@@H](C)NC(=O)c1cc(-n2cccn2)ccc1Cl 67677428 FGZFWRDDFIMQFJ-LLVKDONJSA-N 344.806 2.628 0 50 EFAA Cc1cccc(C(=O)NCC[C@@H]2CCCN(Cc3ccncc3)C2)n1 67966918 MLJIRMXWNLJUBS-KRWDZBQOSA-N 338.455 2.817 0 50 EFAA CCCNC(=O)c1ccc(-c2ccccc2CN2CCOCC2)o1 65435181 IYYAGQPFSWLZQS-UHFFFAOYSA-N 328.412 2.919 0 50 EFAA C[C@@H]1CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)C[C@H](C)C1 119381695 DLMNBVPFKGJUSM-CHWSQXEVSA-N 345.468 2.580 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C(F)(F)F 27692 GHZGHHLJVPVHAJ-GFCCVEGCSA-N 328.290 2.896 0 50 EFAA biogenic CC1=NN(C(=O)CSCc2ccc(F)cc2)[C@@](O)(C(F)F)C1 6395208 GHOBHIHAVAKFLH-AWEZNQCLSA-N 332.347 2.621 0 50 EFAA CCn1nccc1CN[C@H](c1nc(C(C)C)no1)C1CCOCC1 328630479 PXXNRVKIAVCFMX-HNNXBMFYSA-N 333.436 2.667 0 50 EFAA CC(C)Cc1nsc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)n1 253630084 AKTKPKTVSJGYAP-LSDHHAIUSA-N 338.521 2.916 0 50 EFAA CCc1oc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C 328644806 ZJKPKQGGAXMWMV-YJBOKZPZSA-N 327.428 2.968 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@H]1N1CCOCC1 257366361 UQTDFDSBYUMVDI-KBUPBQIOSA-N 348.409 2.534 0 50 EFAA CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)nc1 77471307 QTMPKWNQKDTEGW-LJQANCHMSA-N 329.444 2.902 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCC[C@](O)(CO)CC2)s1 215066949 CUZLVTQBTJSJMT-GOSISDBHSA-N 332.469 2.828 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)nc1)c1cc(-c2ccccc2)no1 363913423 HUUAMBMJRMAXSQ-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA CCc1cc(N2CCC(NC(=O)c3csc(C)c3)CC2)ncn1 367625172 XDBLCPYXJYRFEP-UHFFFAOYSA-N 330.457 2.808 0 50 EFAA COC(=O)[C@]1(C)CN(C(=O)Nc2cccc(OCCF)c2)C[C@H]1C 369329457 GVCACJUSYPZIPB-SJKOYZFVSA-N 338.379 2.698 0 50 EFAA COc1c(C)cnc(Cn2cnc3cc(F)c(F)cc3c2=O)c1C 127132419 CSZREZBLQQJMLX-UHFFFAOYSA-N 331.322 2.743 0 50 EFAA COc1ccc(CCC(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)cc1 262262650 RKOSPFRIRFMZIC-SFHVURJKSA-N 339.391 2.838 0 50 EFAA COc1ccccc1-c1nn2c(CN3CCCCC3)nnc2s1 40287904 LGEOYRVPHVRSGW-UHFFFAOYSA-N 329.429 2.847 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nnc(-c3ccco3)o2)C1 339793078 VWORADVORLIKHM-KBPBESRZSA-N 329.331 2.777 0 50 EFAA NCC[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCO1 223002708 VKQAVYYHWOZKML-SFHVURJKSA-N 326.396 2.669 0 50 EFAA CCC(CC)N1C[C@H](C(=O)NC(C)(C)c2c(C)noc2C)CC1=O 286284951 FDYJFWKISYODSA-CYBMUJFWSA-N 335.448 2.680 0 50 EFAA CCCCS(=O)(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220203586 ZPQXMBABJAXVJF-JFUPDXTOSA-N 348.468 2.766 0 50 EFAA Cc1ccc2c(c1)cc(C(=O)NCCc1nc(C(=O)O)cs1)n2C 426412274 LNVDAWJDSFMZGQ-UHFFFAOYSA-N 343.408 2.614 0 50 EFAA CCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 334160373 CFXAXNUAESJSEE-WBVHZDCISA-N 349.475 2.729 0 50 EFAA O=C1CCC2(CCN([C@@H]3CCCNC3)CC2)CN1Cc1ccccc1 91877044 FZPHQZYXWHNQOP-LJQANCHMSA-N 341.499 2.643 0 50 EFAA CCc1cnc(N)nc1NC[C@H](c1cccnc1)N1CCCCC1 95392864 YULPDOXZJFAZBV-MRXNPFEDSA-N 326.448 2.655 0 50 EFAA Cc1ccc(Cl)c(NC(=O)NCCSc2nncn2C)c1 95497245 WOCGNCZZSKNBPV-UHFFFAOYSA-N 325.825 2.691 0 50 EFAA CSc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1 92061701 UHMCIAJNMVAWDE-SFHVURJKSA-N 346.500 2.818 0 50 EFAA CCCOC[C@@H]1CCN(C2CCN(c3nc(C)cc(C)n3)CC2)C1 95524897 FYEHERRFFNJONJ-QGZVFWFLSA-N 332.492 2.811 0 50 EFAA Cc1nc(N)cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1 91486806 RWTUGFCVTJTPRL-UHFFFAOYSA-N 336.399 2.801 0 50 EFAA Nc1ccc([C@H](C(=O)O)N2CCC(Cc3ccccc3)CC2)cn1 95381339 LDLTXVWIHMRCPU-GOSISDBHSA-N 325.412 2.744 0 50 EFAA COCCc1nc(CNC(=O)c2[nH]c3c(C)ccc(C)c3c2C)no1 91755933 PULKWOSDWFEBQQ-UHFFFAOYSA-N 342.399 2.595 0 50 EFAA CN(C)CC[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccccc1 97660692 ZJLCKYXWTVPMAZ-QGZVFWFLSA-N 326.396 2.808 0 50 EFAA Cc1n[nH]c(SCCN2C[C@@](C)(c3ccccc3)CCC2=O)n1 91690150 VNKVPEXKSALIPW-KRWDZBQOSA-N 330.457 2.786 0 50 EFAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2ccncc2)CC1 95392372 FIEIFTPJWLJLRR-FQEVSTJZSA-N 335.451 2.844 0 50 EFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCCc1nc(C)cs1)C2 91645956 BESKFMMAKBQHNJ-AWEZNQCLSA-N 346.452 2.760 0 50 EFAA COc1ccccc1OCCN1CC[C@@](O)(c2ccccc2C)C1 244723932 MKNGLMMTWPCHOK-FQEVSTJZSA-N 327.424 2.976 0 50 EFAA CCc1nnc(CNC(=O)[C@H](CC)Sc2nc3ccccc3o2)o1 244774069 PNGZDALJYAOFIV-LBPRGKRZSA-N 346.412 2.960 0 50 EFAA Cc1n[nH]c([C@H]2CCCN2CCC(=O)NCc2cccc(Cl)c2)n1 244900265 ZYUROGVJVYATKZ-OAHLLOKOSA-N 347.850 2.610 0 50 EFAA COCCOc1cc(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)ccn1 181565210 QHOISTCAEHQBHJ-AWEZNQCLSA-N 342.395 2.843 0 50 EFAA O=S(=O)(CC1CCOCC1)N[C@H]1CCCc2c(F)cc(F)cc21 297100069 OLNXUKGXRHXDIE-INIZCTEOSA-N 345.411 2.688 0 50 EFAA COc1ccc(CNC(=O)[C@H]2CCOc3ccccc32)cc1C(=O)O 299751826 RXUIOYVGMZPARW-AWEZNQCLSA-N 341.363 2.576 0 50 EFAA COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccccc4)nn32)c1 263617327 NEYCONHNZUGSNZ-IBGZPJMESA-N 348.406 2.591 0 50 EFAA CC[C@@H](NC(=O)c1cc(CC(C)C)nc(O)n1)c1ncccc1C 299755654 BIWOWLZXCGBZBG-CQSZACIVSA-N 328.416 2.965 0 50 EFAA Cn1nc2c(c1C(=O)NC[C@H]1CCOc3ccccc3C1)CCCC2 299766912 CQNZNLKSZZDTNQ-AWEZNQCLSA-N 339.439 2.670 0 50 EFAA Cc1cc(C)cc(CCC(=O)NCCCOC2CCN(C)CC2)c1 299788637 YVQGDAYJGJVNLI-UHFFFAOYSA-N 332.488 2.853 0 50 EFAA O=C(CCCn1cccn1)NCc1nc(-c2ccccc2Cl)no1 670473804 PVUOJBXZUFJOKA-UHFFFAOYSA-N 345.790 2.683 0 50 EFAA OC[C@H]1CCCCN1CCNCc1cccc(OC2CCCC2)c1 952981042 RLJCEHRXAFARTG-GOSISDBHSA-N 332.488 2.944 0 50 EFAA COc1cccc(C)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 952986723 FTUABMUWGUSJSL-CYBMUJFWSA-N 347.436 2.898 0 50 EFAA CC(C)(C)OC(=O)N1CC(Oc2ccc(Br)nc2)C1 96023971 ZLDRMMHRSSNZPE-UHFFFAOYSA-N 329.194 2.842 0 50 EFAA in-vitro Cn1nccc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1 185389950 SQKCYXMKSWBNDT-UHFFFAOYSA-N 336.443 2.941 0 50 EFAA Cc1cccc(CNc2nc(O)c3cnn(-c4ccccc4)c3n2)n1 301338026 DOHPNIBQFAWQDR-UHFFFAOYSA-N 332.367 2.837 0 50 EFAA Cc1cc(N2CC[C@@H](Oc3ccccc3Cl)C2)n2ncnc2n1 269752038 AKIKQSDNGVEULK-GFCCVEGCSA-N 329.791 2.744 0 50 EFAA CC(C)N(CC(N)=O)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 408516913 BWEMEPCRCNLBPB-SHTZXODSSA-N 341.496 2.513 0 50 EFAA CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1(C)C 274533347 RADDJQABLMROJK-MWDXBVQZSA-N 332.444 2.536 0 50 EFAA COc1cc(I)c(N)cc1Br 169800947 FUDQBDFQAXUJLS-UHFFFAOYSA-N 327.947 2.645 0 50 EFAA in-vitro COCCN1C[C@H](c2nc(-c3cc4cc(C)ccc4o3)no2)CC1=O 278273688 UANPQZRPEOWGDP-CYBMUJFWSA-N 341.367 2.754 0 50 EFAA Cc1nc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)cs1 278839260 DDQSUULGZQYNHM-UHFFFAOYSA-N 331.441 2.661 0 50 EFAA CCCn1nc(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)ccc1=O 170608930 GOPHCWUNSJBJFO-NSHDSACASA-N 347.802 2.734 0 50 EFAA O=S(=O)(CCCc1cn[nH]c1)Cc1csc(Br)c1 170610938 YKNPFXLREAOYBA-UHFFFAOYSA-N 349.275 2.781 0 50 EFAA CN(C)c1noc([C@H]2CCCN(c3ncnc4cccc(F)c34)C2)n1 188549881 RHGKETHGFOELMP-NSHDSACASA-N 342.378 2.602 0 50 EFAA CCCn1nc(C)c(CN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)c1C 668649714 KEUDVABMMRJAMJ-BDJLRTHQSA-N 333.436 2.563 0 50 EFAA O=C(Nc1cccc(Br)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219628249 JJDHAQBGWLIXPE-WTTBSCSTSA-N 336.185 2.911 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3cccc(F)c3Cl)C[C@@H]12 1704342582 ONWJZQRIBPDYDF-NVXWUHKLSA-N 326.843 2.758 0 50 EFAA CCOC(=O)C[C@@H](C)NC(=O)c1cccc(C)c1Br 128799508 JCEWGZJGJDOVJF-SNVBAGLBSA-N 328.206 2.829 0 50 EFAA COc1cc2c3c(c1)[C@](O)([C@@H]1CCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816392 CHKZAKGXQZCUST-JLTOFOAXSA-N 341.407 2.794 0 50 EFAA Cc1ccc(N2CCN(C[C@@H]3CCC(=O)N(C(C)C)C3)CC2)cc1 1772805958 RYAULZZRKOCJPT-SFHVURJKSA-N 329.488 2.764 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@H]2CCCCNC2=O)o1 1772710512 XBRSBWBYSAXEKQ-ZDUSSCGKSA-N 330.388 2.606 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 5060840 UNZNCWIAQRYJAL-NSHDSACASA-N 345.786 2.735 0 50 EFAA CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 5639199 QUOGRGMWDHAAQO-RETOYCRDSA-N 331.412 2.546 0 50 EFAA biogenic COCCC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1 11786280 RGNHQGUSIWRNNG-HNNXBMFYSA-N 326.396 2.513 0 50 EFAA CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 14957348 WEAVVDJYRDAWDU-UHFFFAOYSA-N 336.439 2.595 0 50 EFAA Cc1c(C(=O)NCc2ccccn2)nnn1-c1ccccc1Cl 16623987 BGTONPNSEZUTAF-UHFFFAOYSA-N 327.775 2.554 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(OC(F)(F)F)cc1)C2 1857669812 XVYLUFYOBBBKQR-SWLSCSKDSA-N 345.317 2.508 0 50 EFAA Cc1ccc2ncnc(N3CCC(CCN4CCCC4=O)CC3)c2n1 1857679505 XCWSJXJLIPTQJY-UHFFFAOYSA-N 339.443 2.562 0 50 EFAA CCCn1ccc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)c1 225466713 WQZRGZKXDSGLQA-SFHVURJKSA-N 335.492 2.651 0 50 EFAA CC[C@@H]1COCCN1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 115813616 GJWGEXVRXRRNCA-OAHLLOKOSA-N 348.443 2.556 0 50 EFAA Cc1cc2ncc(C(=O)Nc3cc(Cl)cc(C(=O)O)c3)c(C)n2n1 325379352 MWAQGIMRPLXLEM-UHFFFAOYSA-N 344.758 2.950 0 50 EFAA CC(C)c1noc([C@@H](N[C@@H](C)CCn2cccn2)C2CCOCC2)n1 328617231 CMZUXDXDSDWGEV-HOCLYGCPSA-N 347.463 2.926 0 50 EFAA Cc1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 122699632 KJQCKADAFSSKBG-UHFFFAOYSA-N 327.428 2.897 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)s2)o1 236983652 SIHQKFDFQMIZMF-LLVKDONJSA-N 335.381 2.815 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCC[C@H](O)C3)s2)c1 131392929 GZTWGASPHXPSGD-ZDUSSCGKSA-N 332.429 2.811 0 50 EFAA CC[C@H](C(=O)Nc1cccc(Cl)c1)n1c(N)nnc1SC 16626474 UQIZRNZKMKQJME-SNVBAGLBSA-N 325.825 2.825 0 50 EFAA Cc1nnccc1NC(=O)N1CCC(c2ccccc2C(=O)O)CC1 669503298 SMBPJZGYGBTTMP-UHFFFAOYSA-N 340.383 2.895 0 50 EFAA O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCc1cccnc1 253408092 VPLAHZGWPCIMSF-UHFFFAOYSA-N 347.802 2.548 0 50 EFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1cccc(Cl)c1Cl 262889411 HUKNGZAKFGGONM-NSHDSACASA-N 346.210 2.851 0 50 EFAA O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCCN1Cc1ccccc1 266954162 WYWQUUWICCVPED-RBUKOAKNSA-N 342.414 2.640 0 50 EFAA C[C@H](Nc1ccc(C[C@@H](C)C(=O)O)cc1)C1CCS(=O)(=O)CC1 901730515 BRFXBHLELKNATG-OLZOCXBDSA-N 339.457 2.575 0 50 EFAA CC(C)(C)OC1CN(C(=O)c2nc(C(F)(F)F)n3ccccc23)C1 913777479 JZJXHQUQKUOALV-UHFFFAOYSA-N 341.333 2.993 0 50 EFAA O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C1CCCCC1 952883048 UDMLETAPGDBPCC-LLVKDONJSA-N 330.354 2.599 0 50 EFAA O[C@H](CNCc1ccc2c(c1)CCC2)CN1CCc2ccccc2C1 1875253309 HRODXXMDIPOMJF-JOCHJYFZSA-N 336.479 2.684 0 50 EFAA Oc1ccc(CN2CC[C@@](O)(Cc3cccc(F)c3)C2)c(F)c1F 1875288149 PFYWYBGPBXWISA-GOSISDBHSA-N 337.341 2.989 0 50 EFAA CC[C@]1(C(F)(F)F)CN(C(=O)Nc2nc(C)ccc2OC)CCO1 1875268633 XNBJRTJIBLAMPQ-CQSZACIVSA-N 347.337 2.974 0 50 EFAA COc1cc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)ccc1C 1875290566 PYWMWVHFSSSQNS-QWHCGFSZSA-N 343.427 2.721 0 50 EFAA C[C@@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 1875296152 HSVMEJMECSETLG-OHUAYANFSA-N 339.844 2.638 0 50 EFAA C[C@H](O)[C@H]1CCN(c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 1875318309 FHBPXYYHABFDCJ-YOEHRIQHSA-N 340.423 2.638 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Cc3ccccn3)cc2)cn1 1875385548 VUMFQGFLVHVLRF-NTKDMRAZSA-N 334.423 2.669 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1 1875373888 SWKXIRJFQQDIGL-UHFFFAOYSA-N 336.391 2.700 0 50 EFAA O=C(NCc1noc2c1CCCC2)N[C@@H]1CCCC[C@@H]1n1cccn1 885827767 LFTUITVQAFYGRC-ZBFHGGJFSA-N 343.431 2.733 0 50 EFAA Cc1n[nH]cc1CNC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 891992180 ZOMWKKPJEIIRBC-IBGZPJMESA-N 338.411 2.868 0 50 EFAA Cc1csc(N(C(=O)c2cc(C3CCOCC3)nn2C)C2CC2)n1 1775299389 HNZNKEMRPYGIJG-UHFFFAOYSA-N 346.456 2.888 0 50 EFAA O=C(N[C@H]1CCCSC1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 1775986864 LWYWACPJDRXKCZ-YOEHRIQHSA-N 342.468 2.962 0 50 EFAA Cc1ccc2nnc(CNC(=O)[C@@H](Nc3ccccc3)C(C)C)n2c1 1775992301 RWDZXSDZWCBRJB-SFHVURJKSA-N 337.427 2.791 0 50 EFAA Cc1c(NC(=O)CCN2CCCC2=O)noc1-c1ccccc1F 1775988644 UAUUHURWHZKSNV-UHFFFAOYSA-N 331.347 2.740 0 50 EFAA COC(=O)c1ncoc1C1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 1775987071 RVXBCIXOWJCOML-UHFFFAOYSA-N 343.383 2.687 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 82786 BKTOLTFWRCQREJ-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA Cc1nc(=N)[nH]cc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325775075 XVLIYZBMQSUREH-UHFFFAOYSA-N 346.818 2.535 0 50 EFAA O=C(O)C[C@H]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CCO1 2325778428 YZPMDWWNLWXRFD-NWDGAFQWSA-N 338.429 2.553 0 50 EFAA CO[C@H]1CC[C@H](NC(=O)c2cnc(Nc3ccccc3)nc2)CC1 2356141865 SWMKFULCAQBDLR-WKILWMFISA-N 326.400 2.908 0 50 EFAA CCN1Cc2nnc(CCNc3ccccc3)n2[C@@H](CC(C)C)C1=O 2356144773 LJPVYDVZZMCWPM-INIZCTEOSA-N 341.459 2.882 0 50 EFAA COc1ccc(-c2onc(NC[C@H]3CCCOC3)c2C(=O)O)cc1 2356147277 PGGZAHXZDCJSNP-LLVKDONJSA-N 332.356 2.887 0 50 EFAA O=C1CN(C(=O)c2ccc(-c3cnc4cc(F)ccc4c3)cc2)CCN1 2356149975 GJBFMGSLMCOZFB-UHFFFAOYSA-N 349.365 2.613 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N1CCC(OC(F)(F)F)CC1 2356155475 FDHFFVZANSSVRS-UHFFFAOYSA-N 327.306 2.633 0 50 EFAA O=C(c1cccc(Cl)c1Cl)N1CCN(c2ncccn2)CC1 2872709 WWWUWNJKSDZJCI-UHFFFAOYSA-N 337.210 2.746 0 50 EFAA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O 4757581 PQWHXRFBYSJSGY-UHFFFAOYSA-N 337.379 2.976 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)cc1 6725586 NJQCPDAOZOUKIB-DCNYZXSGSA-N 330.384 2.721 0 50 EFAA COC(=O)[C@H](NCC(=O)Nc1nc(C)cs1)c1c(C)cccc1C 225387947 DQNCSXPLWQQUQE-OAHLLOKOSA-N 347.440 2.511 0 50 EFAA CCOCCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 9878518 WHBOOWNHFQLMRG-HZPDHXFCSA-N 335.400 2.931 0 50 EFAA CCc1ncsc1C(=O)NCCc1csc(N2CCCC2)n1 133533959 MKMFBGVAJUFLIB-UHFFFAOYSA-N 336.486 2.735 0 50 EFAA CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101449420 CWRVTBXPXRGAHL-UGQVUOCMSA-N 343.379 2.713 0 50 EFAA CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1nn(C)c2c1CC(=O)CC2 55325134 UVVTUNLSQXSICI-ZDUSSCGKSA-N 343.427 2.758 0 50 EFAA COC(=O)c1ccc(CN2CCN(c3cccc(OC)c3)CC2)cc1 55291950 GJTRATXALQVGFI-UHFFFAOYSA-N 340.423 2.804 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1 67603425 LXFSDALOKZGCQW-MRXNPFEDSA-N 346.452 2.840 0 50 EFAA CN1CCN(c2cccc(Cl)c2CNCC[C@@H]2CCOC2)CC1 344258092 BLILLRTZYCZGAZ-OAHLLOKOSA-N 337.895 2.608 0 50 EFAA CC(C)Cc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)n[nH]1 22851498 XDDDLPYBTYBZTA-HXUWFJFHSA-N 348.535 2.810 0 50 EFAA O=C(O)c1cccnc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67714411 VAQJFQAVXXAGEL-UHFFFAOYSA-N 338.342 2.684 0 50 EFAA COC(=O)[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)c2ccccc21 348285120 QTFIJGXWCVEAGH-INIZCTEOSA-N 347.374 2.789 0 50 EFAA O=C(NCc1noc(-c2ccco2)n1)c1ccccc1N1CCCC1 65394426 LLSQHYHZTWMZAU-UHFFFAOYSA-N 338.367 2.860 0 50 EFAA COc1ccc(-c2ccc(NS(C)(=O)=O)nc2)c2ccc(C)nc12 67459550 JFCQLKDMSMSDCT-UHFFFAOYSA-N 343.408 2.985 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)o1 67956430 AAFHWBCTNFHVKR-AWEZNQCLSA-N 331.416 2.780 0 50 EFAA CCCN1CCC(Cc2noc(-c3cc(Cl)c[nH]c3=O)n2)CC1 67743002 HHUJDEPJFZUXLR-UHFFFAOYSA-N 336.823 2.743 0 50 EFAA CCCn1cnnc1CNC(=O)c1cccc(-c2ccc(O)cc2)c1 63872069 IOESIUURAPBNNE-UHFFFAOYSA-N 336.395 2.991 0 50 EFAA NC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1 2785671 NEBGYWMICWSIAE-UKTHLTGXSA-N 349.481 2.838 0 50 EFAA CCCc1ncncc1C(=O)N1CCC[C@H](c2nccn2CC)C1 215767641 IHXHEUNAIODYPS-AWEZNQCLSA-N 327.432 2.665 0 50 EFAA Cc1cccc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)n1 72427983 OZOOYBFAHAPGQG-UHFFFAOYSA-N 342.443 2.786 0 50 EFAA Cc1ccccc1C1(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 170701945 WGWGKJVALMJCHF-UHFFFAOYSA-N 333.395 2.856 0 50 EFAA COC(=O)[C@H](C)[C@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 229429503 LOXYGOIYAWJXBW-SUMDDJOVSA-N 343.423 2.566 0 50 EFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1OC(F)F 218982838 UVUOFCUZQOITPL-LBPRGKRZSA-N 341.354 2.746 0 50 EFAA Cn1cc([C@@H](O)C[C@H]2CCCN2c2ncc(C(F)(F)F)s2)cn1 328589025 XYFVGLXZUVUUHF-MNOVXSKESA-N 346.378 2.988 0 50 EFAA CCN(CC)C[C@@H]1CCN([C@@H](C(=O)NC(C)C)c2ccccc2)C1 229839102 OAMDNOOFMVNGJX-PKOBYXMFSA-N 331.504 2.916 0 50 EFAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1 253394517 GGDJMGQQGBZPHS-XJKSGUPXSA-N 348.397 2.591 0 50 EFAA COc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1OCCO 253423840 GMTNESAKDVNRGX-UHFFFAOYSA-N 345.370 2.625 0 50 EFAA C[C@H]1CSc2ccccc2CN1Cc1nnnn1CC(F)(F)F 253432488 KPXZBDWOEIHKKA-JTQLQIEISA-N 343.378 2.732 0 50 EFAA O=C(NCc1ccnc(-n2ccnc2)c1)N[C@@H]1CCCc2occc21 363208047 PHHDRXBFPGKJPI-OAHLLOKOSA-N 337.383 2.737 0 50 EFAA COc1ccccc1CNc1nc(-c2cccnc2)nc2c1CNC2 72162170 HSSFONVCVNGDRB-UHFFFAOYSA-N 333.395 2.763 0 50 EFAA CC(C)Oc1cncc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 123563778 FNAQDNAITUQUMS-CQSZACIVSA-N 333.413 2.539 0 50 EFAA Cc1cc(C(=O)NCCSc2cn[nH]n2)c2ccc(C)c(C)c2n1 77439848 SIVYMOWMXAKPEB-UHFFFAOYSA-N 341.440 2.800 0 50 EFAA CCC(CC)N(C(=O)[C@@H]1COCCO1)[C@@H]1CCCc2cccnc21 330282483 VIOJKBVAXXNCLJ-SJORKVTESA-N 332.444 2.892 0 50 EFAA Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)no1 77458077 QHEVKYZWHWBZBC-UHFFFAOYSA-N 327.428 2.764 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCC[C@H](c2ccncn2)C1 374983116 WJZFILYCGNMJKN-LBPRGKRZSA-N 337.358 2.579 0 50 EFAA CCc1cc(N(C)Cc2nc(C3CC3)no2)n2nc(C)c(C)c2n1 72427186 QWKAWLCAFQNWTR-UHFFFAOYSA-N 326.404 2.805 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)NC1CCC(C(=O)O)CC1 263022092 JIWNJFLLAWIBHM-UHFFFAOYSA-N 348.325 2.512 0 50 EFAA COc1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1 216408694 ZVVQHWXXATUIRI-LJQANCHMSA-N 326.440 2.906 0 50 EFAA O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1 71753703 NVDKAQAOWKAWGQ-RTBURBONSA-N 341.455 2.619 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N(CCO)Cc1nccs1 216467535 FEZDQYMTZRPKGW-UHFFFAOYSA-N 335.816 2.913 0 50 EFAA CCc1ncc(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1 71745841 FPRZMCGYLXVXHW-GOSISDBHSA-N 339.439 2.903 0 50 EFAA Cc1ccc2nc(CN3CCCC[C@H]3CCN3CCOCC3)cn2c1 72150163 LTAXEDDBULYGOF-IBGZPJMESA-N 342.487 2.720 0 50 EFAA Cc1cccc(CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 280985877 SPXXMUUTUDSCMZ-MOPGFXCFSA-N 338.455 2.677 0 50 EFAA CO[C@@H]1CCC[C@H]1NC(=O)NC1CCC(O)(c2ccccc2)CC1 240423784 FQUKPDCYMVGRGJ-VZDIDWBNSA-N 332.444 2.684 0 50 EFAA COC(=O)[C@@H]1CC12CCN(C(=O)N[C@H]1C[C@H](c3ccccc3)C1)CC2 241316770 LUUFSZSQYLYLRF-ULQDDVLXSA-N 342.439 2.917 0 50 EFAA Clc1ccc(N2CC[C@H](CNC[C@H]3CNc4ccnn4C3)C2)cc1 242167648 WYHGDICOYVIPTG-CABCVRRESA-N 345.878 2.694 0 50 EFAA CCc1cccc(OCCN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 285035682 ZUWUTHRXZXOWTB-ZCNNSNEGSA-N 333.472 2.880 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 222246079 HATQEPWKJQMGLO-KKOKHZNYSA-N 343.688 2.802 0 50 EFAA COc1ccc(Cn2cc(-c3nc(C(=O)O)ccc3OC)cn2)cc1 223874829 RQMZIUOJBUPWGA-UHFFFAOYSA-N 339.351 2.709 0 50 EFAA CC(C)c1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)cc2)no1 426690786 YJVQPAMIJCIPIT-UHFFFAOYSA-N 325.372 2.556 0 50 EFAA COc1ccc(OC)c(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)c1 95353569 XTFWGKNDZRIUAD-LJQANCHMSA-N 342.439 2.931 0 50 EFAA Cc1cc(C)n(CCCC(=O)N[C@H](CC(=O)O)c2ccccc2)n1 426734203 ALRMEUHTBOIJEA-MRXNPFEDSA-N 329.400 2.612 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCCc2nc3ccccc3n2C)C1 91932376 YDPHUMYVGVTUKX-FQEVSTJZSA-N 342.487 2.744 0 50 EFAA Cc1nn(C)c2nc(N(Cc3ccccn3)C[C@H]3CCCO3)sc12 95526523 DRQMGHBXVNSMPJ-CQSZACIVSA-N 343.456 2.919 0 50 EFAA O=C1CCCCc2cc(C(=O)N3CCc4ccnc(O)c4C3)ccc21 290460329 PLMGWCAXCQQLEW-UHFFFAOYSA-N 336.391 2.895 0 50 EFAA Fc1ccc(-c2n[nH]cc2CN2CCN(C3CCOCC3)CC2)cc1 97785571 BSMLZUVZJAKUMW-UHFFFAOYSA-N 344.434 2.512 0 50 EFAA O=C(O)[C@@H](c1cccc(O)c1)N1CCCN(C2CCCCC2)CC1 95377909 GVXIMSKXNGCIGE-GOSISDBHSA-N 332.444 2.858 0 50 EFAA CCCOc1ccccc1C(=O)N1CC[C@@](O)(CCOC)[C@H](C)C1 91807543 QARPVHHBAKEUOW-DNVCBOLYSA-N 335.444 2.725 0 50 EFAA O=C(c1cncc(C[C@@H]2COc3ccccc3C2)n1)N1CCCCC1 91255260 KUPNKZPVNBZLDL-OAHLLOKOSA-N 337.423 2.897 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1cc(C(F)(F)F)ccc1F 91586144 FTMRLQGYLSTJNX-CYBMUJFWSA-N 344.312 2.501 0 50 EFAA O=C(c1cnn(CCC(F)(F)F)c1)N1CCOC[C@@H](C2CCC2)C1 292576370 PBPJKHJOELRHHL-AWEZNQCLSA-N 345.365 2.724 0 50 EFAA COc1cccc(-n2cc(Cn3cc(-c4nccs4)nn3)cn2)c1 95370472 BPNOWGPKMZGDDI-UHFFFAOYSA-N 338.396 2.644 0 50 EFAA O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N[C@H]1CCCc2ccccc21 247798132 SMZKWMIYEZWTNL-APWZRJJASA-N 338.455 2.783 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CC[C@@H](O)CC3)c2)n1 244795213 RBQVLVOZNRCUIF-IZAXUBKRSA-N 341.455 2.999 0 50 EFAA O=C(CN1CCCCCCC1)NC[C@@H]1CCCN(c2ccccn2)C1 244811771 SKVHYGOOMSMQSM-SFHVURJKSA-N 344.503 2.680 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)c3coc4c3C(=O)CCC4)C2)c1 294769436 YZEPBZCSHXSDAR-ZDUSSCGKSA-N 327.384 2.781 0 50 EFAA O=C(CSCC1CC1)N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 252494826 OFXFKTUABDMPPG-ZDUSSCGKSA-N 338.860 2.705 0 50 EFAA CCOc1nc(C)ccc1C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 299745018 QSUAMJBJSISBMW-DLBZAZTESA-N 341.411 2.786 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccn(C2CCCC2)n1 299746535 YAIPKCSBBKDAEF-WQVCFCJDSA-N 331.416 2.856 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCN(C2CCSCC2)CC1 299771161 UFPXQBMNURSBAB-UHFFFAOYSA-N 346.496 2.665 0 50 EFAA CCCn1nccc1C(=O)NCCN1CC[C@@H](c2ccccc2C)C1 299787895 YOHQMTAVJDPEOV-QGZVFWFLSA-N 340.471 2.821 0 50 EFAA COCC1(CNC(=O)Nc2cc(-n3cnnc3)ccc2C)CCCC1 299792064 DOOAASDJQHXZOU-UHFFFAOYSA-N 343.431 2.904 0 50 EFAA CN(C[C@H]1CCCCO1)[C@@H]1CCN(C(=O)c2nc(Cl)cs2)C1 972168981 QIFZTIBHUADCDO-VXGBXAGGSA-N 343.880 2.512 0 50 EFAA Cc1cc(CN2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)ncn1 685942122 GFJIWIRABSXOSH-CVEARBPZSA-N 326.448 2.652 0 50 EFAA COc1ccc(-n2ccnc2CNCc2cnc(SC)n2C)cc1 952981673 VGPFQCHQQCKHDE-UHFFFAOYSA-N 343.456 2.626 0 50 EFAA CC(C)(NC(=O)Cc1ncc[nH]1)c1ccc(OC(F)(F)F)cc1 1448962958 MGTFRPJUGRDKPS-UHFFFAOYSA-N 327.306 2.902 0 50 EFAA Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)s1 305188589 FXEVAUDSTNFUNJ-LBPRGKRZSA-N 331.846 2.722 0 50 EFAA Cc1ccc([C@H]2CCCCCN2C(=O)c2cn([C@@H]3CCOC3)nn2)o1 408332820 ZCILZUYXMPDDLE-GDBMZVCRSA-N 344.415 2.898 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCO[C@@]4(CCOC4)C3)s2)o1 186101681 XTLCEFCWVSLRDU-KRWDZBQOSA-N 333.409 2.948 0 50 EFAA CC(C)[C@@H](C(=O)N1CCC12CCC2)S(=O)(=O)C1CCCCC1 170022448 CLDSGLLLSGMSEY-HNNXBMFYSA-N 327.490 2.914 0 50 EFAA CC1(C)C[C@@]1(C(=O)O)C(=O)Nc1cccc(Oc2cccnn2)c1 663062676 NBZVURZFLDXFND-KRWDZBQOSA-N 327.340 2.708 0 50 EFAA CC(=O)Nc1cc(NC(=O)[C@H](C(=O)O)C(C)(C)C)ccc1Cl 663093884 YORKTOPPKSSPNK-GFCCVEGCSA-N 326.780 2.984 0 50 EFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(F)ccc1OCC1CC1 189477140 JZDIOWBVZJQZPF-UHFFFAOYSA-N 339.392 2.755 0 50 EFAA CC(=O)N[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Cl)cc2F)C1 190368833 KZTKXUWRSHEQEL-ZDUSSCGKSA-N 340.826 2.884 0 50 EFAA C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCC(C)(C)C1CCCCC1 192030348 RGMVLLQJWYYDGZ-CQSZACIVSA-N 344.521 2.812 0 50 EFAA CCc1ccccc1C(=O)N[C@@H](c1nc(-c2nnc[nH]2)no1)C(C)C 192439231 LMYBSNGSZXKUPG-CYBMUJFWSA-N 340.387 2.544 0 50 EFAA Cc1ncsc1-c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3C)cc1 668237038 DIQYWYFDBLHNKU-DLBZAZTESA-N 329.469 2.633 0 50 EFAA COc1ccc([C@H](NC(=O)CC2CC(F)(F)C2)C(=O)O)cc1F 668290437 QRQITYLBLALFQG-ZDUSSCGKSA-N 331.290 2.512 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1 195123267 RIWKIPHXDAHKOF-OAHLLOKOSA-N 334.460 2.802 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 746189020 LXLGZJXFROIPOK-MEDUHNTESA-N 339.844 2.856 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1Cc2ccccc21)c1ccc(F)cc1F 776658739 LEKZCFKSYONJMO-HOCLYGCPSA-N 331.318 2.937 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1F 776661197 ZCQAIMICIMHHJK-CQSZACIVSA-N 345.305 2.787 0 50 EFAA CN(Cc1ccc2ccccc2n1)c1nccc(N2CCC[C@H](O)C2)n1 1529186385 CVGZLZKSNLTGRV-KRWDZBQOSA-N 349.438 2.622 0 50 EFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C12CC3CC(CC(C3)C1)C2 1613882000 PYFLDKAOAKGVLB-MXDZQPNWSA-N 340.467 2.972 0 50 EFAA CCCc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704305463 WHWZXZPFTGTAEY-QZTJIDSGSA-N 337.485 2.955 0 50 EFAA CN1CCC(N2CCCN(C(=O)c3sccc3Cl)CC2)CC1 1772810594 NFFPILUQMNQUFJ-UHFFFAOYSA-N 341.908 2.644 0 50 EFAA CC(C)N1C[C@@H](CN2CCC(CCn3cccn3)CC2)CCC1=O 1775980067 SELMBCDVCAQNSQ-GOSISDBHSA-N 332.492 2.632 0 50 EFAA O=C(Cc1cccs1)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772702636 DEVUZMGLTHPZKR-YLJYHZDGSA-N 340.492 2.971 0 50 EFAA Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 5016637 BPQOFMLBBBFSAC-UHFFFAOYSA-N 345.786 2.548 0 50 EFAA O=C(NCCc1ccncc1)c1coc(COc2ccccc2F)n1 11822069 TUGVMIBHMJGQOH-UHFFFAOYSA-N 341.342 2.760 0 50 EFAA Cc1ccc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)o1 12299677 FNTVLKJNTRLTQD-UHFFFAOYSA-N 329.331 2.959 0 50 EFAA Cc1cc(C(=O)N2CCc3onc(-c4ccccc4)c3C2)nc(C)n1 12716912 AVYBRJXEJRKYDZ-UHFFFAOYSA-N 334.379 2.947 0 50 EFAA CSCCC(=O)NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1 15008419 ZPTANWFNNLVVHZ-MRXNPFEDSA-N 328.437 2.921 0 50 EFAA C[C@@]12CC3CC(C(=O)NCCCN4CCOCC4)(C1)C[C@](C)(C3)C2 16551929 RHUYDJJQIRXAQC-JUNHRQJPSA-N 334.504 2.822 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 16579674 KKBIXHRCFVTUAY-UHFFFAOYSA-N 330.453 2.647 0 50 EFAA CC(C)c1c(C(=O)N2CCOCC2)nnn1-c1ccc(Cl)cc1 16648901 LPPBNXFVQSNONF-UHFFFAOYSA-N 334.807 2.517 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)c1 169297631 BTEWSGMMIUOGIN-NYXISSTPSA-N 325.364 2.597 0 50 EFAA O=C(CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1 151128028 BDUAWAKTSLXSLB-KXBFYZLASA-N 333.403 2.942 0 50 EFAA CCCCc1ncc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)[nH]1 1857666902 PIFOSDHNPHBFHK-CYBMUJFWSA-N 327.432 2.627 0 50 EFAA O=C(CCS(=O)(=O)c1ccccc1)NC[C@H]1CC[C@@H]2CCC[C@@H]21 1857670879 HKODNPUAEPRVIX-UXLLHSPISA-N 335.469 2.793 0 50 EFAA CCc1cccc(OCCCN(C)c2ccc(C(=O)N(C)C)nn2)c1 1857676981 OHCVPGMWMNKGNN-UHFFFAOYSA-N 342.443 2.646 0 50 EFAA CCOC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 21993886 SBIWRFCYFYWFLT-UHFFFAOYSA-N 334.416 2.920 0 50 EFAA in-vitro CSc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)cs1 216160069 TUYNETWSNMJJHR-STQMWFEESA-N 337.514 2.811 0 50 EFAA Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 126898861 ZFMWDYLAABRXQJ-IAGOWNOFSA-N 338.407 2.676 0 50 EFAA COc1ccc2c(c1)N(C(=O)c1ccnc(C(=O)O)c1)CCCC2 653292408 CARGQUXKGZWBKQ-UHFFFAOYSA-N 326.352 2.772 0 50 EFAA Cc1nccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)n1 252491632 LOVOQOJTUZGUME-INIZCTEOSA-N 347.850 2.541 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nncn1-c1cccnc1 377187612 ZCNXVRHOBSDHHB-UHFFFAOYSA-N 346.350 2.878 0 50 EFAA Cc1cc(CNc2cc(S(N)(=O)=O)ccc2C)c2c(n1)CCCC2 902615623 GNPAOGRCUGQBBW-UHFFFAOYSA-N 345.468 2.837 0 50 EFAA Cc1sc(C(=O)O)cc1CN1CCOC[C@@H]1CC1CCOCC1 903961167 OFBKBDGMLMHVTG-HNNXBMFYSA-N 339.457 2.772 0 50 EFAA O=C(c1ccc(-c2cn[nH]c2)cn1)N1CCC2(CCCCO2)CC1 922076847 QFXXGWZTKMCWJD-UHFFFAOYSA-N 326.400 2.647 0 50 EFAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 13328606 XSVNPOMPSPGRRX-UHFFFAOYSA-N 338.407 2.810 0 50 EFAA COc1cccc([C@H]2C[C@@H](C)CN2C(=O)NCc2nonc2C)c1 873283064 NOEDTJOBWXOCLI-BDJLRTHQSA-N 330.388 2.679 0 50 EFAA CCc1ccc(S(=O)(=O)NC[C@H]2COCc3ccccc32)cc1 1875299631 QFMWJIXFKACJDF-INIZCTEOSA-N 331.437 2.841 0 50 EFAA O=C(Cc1cccc(C(=O)O)c1)Nc1ncc(C[C@@H]2CCCO2)s1 1875277374 IASRXFZPAHCHLR-ZDUSSCGKSA-N 346.408 2.744 0 50 EFAA OC[C@H](O)[C@@H](c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 1875274991 KOYDLTYMEDSBAD-PWRODBHTSA-N 341.451 2.527 0 50 EFAA Cc1nc2ccccc2n1[C@H](C(=O)N[C@H]1CCn2ccnc21)C(C)C 1875265658 SGYIXYAZHYREIL-RDJZCZTQSA-N 337.427 3.000 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]2C[C@H]21)c1ccccc1N1CCOCC1 1875258054 KDTPPOARPDDARX-HDMKZQKVSA-N 329.444 2.778 0 50 EFAA Cc1cc(CCC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)on1 1875274549 HZNJBKGDHDCJHS-CQSZACIVSA-N 342.317 2.784 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cccc(-c2ccccn2)c1 1875400394 YLLHGASUMHJWPT-DUXKGJEZSA-N 348.450 2.874 0 50 EFAA O=C(c1cccc(-n2ccnc2O)c1)N1CC[C@H](C(F)(F)F)C1 888024679 GZUHBZAXUYWGOG-NSHDSACASA-N 325.290 2.602 0 50 EFAA COc1cc(C)cc(C(=O)N2CCC(=O)Nc3ccncc32)c1C 1775961918 IOMNFBHFMKCYHY-UHFFFAOYSA-N 325.368 2.696 0 50 EFAA Cn1nnnc1CNc1ccc(Br)c(C(F)(F)F)c1 253425421 APVCWILPGSRADD-UHFFFAOYSA-N 336.115 2.604 0 50 EFAA CCc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)ccc1OC 4626596 YXDILVMWQJYLKQ-UHFFFAOYSA-N 331.397 2.935 0 50 EFAA Cc1ccncc1C(=O)NC[C@H](C)N(C)c1nc2cccnc2s1 2325838909 CINULJIWOJZSSY-LBPRGKRZSA-N 341.440 2.649 0 50 EFAA COc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F 341121 RIZJWUMNEWOPMB-UHFFFAOYSA-N 331.212 2.880 0 50 EFAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(NC(=O)c1ccccc1Cl)C2=O 2068848 ZFEKCCCOIAWWRF-APPDUMDISA-N 334.803 2.796 0 50 EFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 2356142291 MNVPDGJQJXABSM-FQBWVUSXSA-N 344.499 2.962 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc4ccn(C)c4n3)C[C@H]21 2356151901 FXPZNUFWTKTTEC-KHYOSLBOSA-N 327.428 2.587 0 50 EFAA O=C(CCC(=O)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 6700735 ZVVAICVVFBYPJQ-UHFFFAOYSA-N 331.199 2.571 0 50 EFAA Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1 6718642 IKLGYJACVCXYIL-UHFFFAOYSA-N 342.374 2.524 0 50 EFAA in-vitro CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 8477661 BSHCJLMVYUJAPC-HNNXBMFYSA-N 333.428 2.872 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cncn1-c1ccc(F)cc1 248122861 KPEXMLJFEVCHNF-DLBZAZTESA-N 342.418 2.710 0 50 EFAA Cc1n[nH]c(SCc2ccc(C(=O)c3ccccc3)cc2)nc1=O 9135153 ONRBSYOQVZKDBL-UHFFFAOYSA-N 337.404 2.997 0 50 EFAA CCc1ccc(CNC(=O)CN2CCC3(CCOCC3)CC2)s1 341999718 YBNQUMDVVSCJRS-UHFFFAOYSA-N 336.501 2.819 0 50 EFAA Oc1nc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nc2ccccc12 343229276 YGBKTAYTHVFSOP-XJKSGUPXSA-N 325.343 2.787 0 50 EFAA C=Cc1cccc(CN2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)c1 67981790 GPBOZZQTPZSSLV-SFHVURJKSA-N 336.501 2.869 0 50 EFAA CC(C)(C)c1ccc(N2CCC(NC[C@@]3(O)CCOC3)CC2)cc1 253417756 KZMUCZKNIVGYKD-FQEVSTJZSA-N 332.488 2.694 0 50 EFAA COc1cccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)c1OC 65431082 QGMZVEROWHJHTR-ZDUSSCGKSA-N 337.379 2.503 0 50 EFAA NCC1(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CCCC1 423793228 CMCDNIYIUCZPKM-NSHDSACASA-N 344.381 2.654 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2ccccc2Cl)n1 67612413 MFERLHICKITAPX-UHFFFAOYSA-N 333.823 2.712 0 50 EFAA COc1ccc(OC[C@@H](O)CN2CCO[C@@H](c3ccccc3)C2)cc1 229676093 IUTFXNHJQLTDRB-FXAWDEMLSA-N 343.423 2.508 0 50 EFAA CCCc1noc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328637334 OOXBKMVIVAVMGG-YJBOKZPZSA-N 329.448 2.542 0 50 EFAA Cc1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(OCC(C)C)c1)CC2 170752119 NABJKHIRACHHJX-HNNXBMFYSA-N 343.431 2.758 0 50 EFAA C[C@]1(C(=O)N2CCC(c3nnc(O)o3)CC2)C[C@@H]1c1ccccc1 425318429 HTHVEXVMJWJPMS-KDOFPFPSSA-N 327.384 2.675 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@H](c1ccccc1F)N(C)C 215269552 TVHVPORIPSVUPG-INIZCTEOSA-N 335.448 2.894 0 50 EFAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@H]1O)C1(c2ccc(Cl)cc2)CC1 354499773 CZSSRAOHLGJIGJ-BRWVUGGUSA-N 349.858 2.760 0 50 EFAA COc1ccccc1N1CCN(C(=O)CCc2ccccn2)[C@@H](C)C1 72480781 WIYSFIFXIBGTQF-INIZCTEOSA-N 339.439 2.760 0 50 EFAA O=C(O)c1cnn([C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)c1 153223559 LLBGEWMAIURTNW-GFUIURDCSA-N 331.397 2.520 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cnn2ncccc12 361495313 NMBHHBVQLQXLLE-AWEZNQCLSA-N 334.301 2.633 0 50 EFAA Cc1ccc2oc(-c3nccn3CCN(C)S(C)(=O)=O)c(C)c2c1 77469744 FIJPEZMVZAWUGK-UHFFFAOYSA-N 347.440 2.805 0 50 EFAA CN(C)c1ccc(CN2CCC[C@@H](OCc3cccnc3)C2)cn1 72144746 AHZNWGVLOMRAQT-GOSISDBHSA-N 326.444 2.724 0 50 EFAA COCC[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1OC 330923528 SQFBKZUCQCBFOQ-DZGCQCFKSA-N 327.446 2.587 0 50 EFAA CCOc1ccc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1F 487573061 KSWAHAWDVBMVNF-FUHWJXTLSA-N 333.407 2.886 0 50 EFAA O=C1[C@H](Sc2cnn[nH]2)CCCN1c1ccc(OC(F)F)cc1 155960209 XEWHLUPZQHWCPP-LLVKDONJSA-N 340.355 2.694 0 50 EFAA Cc1cc(C)nc(NC(=O)NCCCNC(=O)c2occc2C)c1 126192289 IRJLVINUSYYURP-UHFFFAOYSA-N 330.388 2.541 0 50 EFAA CCC(CC)N1C[C@H](C(=O)N2CCC=C(c3ccco3)C2)CC1=O 331767286 CJADKCKDYFOINY-OAHLLOKOSA-N 330.428 2.932 0 50 EFAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(-c2nnc(S)o2)cc1 156951368 UMRQDBHFVCKAJT-UONOGXRCSA-N 345.424 2.713 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2 72475300 NNGWOMNMLCYCRE-VQTJNVASSA-N 348.446 2.975 0 50 EFAA CCn1ccc2cc(CN3CCN(Cc4noc(C)n4)CC3)ccc21 216545380 DICNRCSUCWZRQG-UHFFFAOYSA-N 339.443 2.670 0 50 EFAA COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCC[C@@](C)(OC)CC1)C2 279853925 IJOXSYICTNWTHN-HNAYVOBHSA-N 348.443 2.599 0 50 EFAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC2(CCNCC2)CN1 72162847 PDPBDMCICRJZTG-IBGZPJMESA-N 349.478 2.624 0 50 EFAA CCCCNC(=O)[C@@H](C)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 495656275 ITDMGYVDRLTIOK-RDTXWAMCSA-N 341.496 2.528 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 237958649 REMVXIZAMNPAPH-AWEZNQCLSA-N 331.412 2.658 0 50 EFAA CNC(=O)c1cccc(CNC(=O)N2CCc3ccccc3[C@H]2C)c1 171715297 VBPOTEMWLOWNAT-CQSZACIVSA-N 337.423 2.875 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N3C[C@@H](C(=O)O)CC[C@@H]3C)cc2)n1 263141726 GRUXEDWERMNZEF-ZFWWWQNUSA-N 327.384 2.506 0 50 EFAA Cc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 82125826 LXPYJAFBLCZAHI-INIZCTEOSA-N 345.468 2.987 0 50 EFAA CN(C)[C@H](C(=O)N1CCC(CCC(=O)O)CC1)c1ccc(F)cc1 223275454 XQDXDCUUNCQGJJ-KRWDZBQOSA-N 336.407 2.532 0 50 EFAA Cc1ccc(-c2noc(N[C@H]3CCO[C@@H]3c3nccn3C)n2)cc1 282350183 WOYJPWPZOGKYTO-KBPBESRZSA-N 325.372 2.721 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCCN(c2ccccc2)CC1 82092386 XWNVIRMTBNOMCN-UHFFFAOYSA-N 327.428 2.963 0 50 EFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1c(C)cccc1C 263371174 YGBFCHKAAPQKDL-UHFFFAOYSA-N 327.380 2.983 0 50 EFAA Cc1ccc([C@@H]2COCCN2C(=O)NCc2nccn2CC(C)C)o1 173452518 MPADFGRTGZJOJY-HNNXBMFYSA-N 346.431 2.724 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3cccc4cc[nH]c34)C2)n1 426477474 XZUVWJPXXBKNOZ-HNNXBMFYSA-N 338.411 2.829 0 50 EFAA Cc1nc2n(n1)C[C@@H](NCc1c(F)cccc1OC(F)(F)F)CC2 284074273 URBYBDZUEVUTDC-JTQLQIEISA-N 344.312 2.729 0 50 EFAA CO[C@H]1C[C@@H](O)C12CCN(CCOc1ccc(Cl)cc1)CC2 91519400 ZSFNALDLRYQIJZ-CVEARBPZSA-N 325.836 2.581 0 50 EFAA Cc1cc(C(=O)NCCN2CCCC[C@H]2CO)c(-c2ccccc2)o1 97610287 BDUCMJODUNKJTD-KRWDZBQOSA-N 342.439 2.832 0 50 EFAA COc1ccc(C(C)=O)cc1NC(=O)NCCCc1c(C)n[nH]c1C 96164469 VGBMCUAJQNRNQN-UHFFFAOYSA-N 344.415 2.992 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237787280 VYIZHTSQSWMCGZ-KGLIPLIRSA-N 337.441 2.642 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)CC3CCCC3)C[C@H]2C(=O)O)c1 91651253 TYUBGXKSSXVQOJ-DLBZAZTESA-N 331.412 2.902 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2nnc(-c3ccccc3)o2)on1 91426895 GEFRZMKCJPQAJI-UHFFFAOYSA-N 326.356 2.853 0 50 EFAA COc1ccccc1[C@@H](CC(C)C)NC1CCS(=O)(=O)CC1 291167247 MVBFUQUJNCHZKT-MRXNPFEDSA-N 325.474 2.949 0 50 EFAA O=C(O)c1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)cc1 91616628 PMFGHUXWGKTUSI-DLBZAZTESA-N 343.354 2.824 0 50 EFAA OCc1csc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 95390447 UABXZTNYFPRJJT-UHFFFAOYSA-N 333.501 2.726 0 50 EFAA CCCCN(C(=O)c1ccc(C(C)C)cn1)[C@H]1CCS(=O)(=O)C1 291205588 GMKSVMVXJCNJPA-HNNXBMFYSA-N 338.473 2.634 0 50 EFAA CCCn1cc(NC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)nn1 95523744 GNHBTEPFWUHRSH-AWEZNQCLSA-N 349.460 2.963 0 50 EFAA O=C(NCCOCCO)Nc1ccc2c(c1)Nc1ccccc1CC2 240203868 JUJRTTOXGBVVDF-UHFFFAOYSA-N 341.411 2.659 0 50 EFAA CCC(=O)N(c1ccccc1)C1CCN(Cc2nnc(C)o2)CC1 244817150 SUYGVUCBEPNFSZ-UHFFFAOYSA-N 328.416 2.786 0 50 EFAA CN(Cc1cnccn1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 181732500 AWJORAIPIFZXBS-AWEZNQCLSA-N 345.834 2.550 0 50 EFAA Cc1ccc(NC(=O)CN2CCC(c3cccc(O)c3)CC2)nc1 252481667 CQDQUMZTMKMHFR-UHFFFAOYSA-N 325.412 2.914 0 50 EFAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)c1cn2ccsc2n1 534580421 YSWSHLYUSMFFFS-LBPRGKRZSA-N 346.460 2.812 0 50 EFAA CN1CC[C@H](N(C)C(=O)c2cccc(-c3cnc(N)c(Cl)c3)c2)C1 534670088 MUWYKKBDVNZUBF-HNNXBMFYSA-N 344.846 2.760 0 50 EFAA Cc1ccc(OC(C)(C)C(=O)N[C@@H](c2ncnn2C)C(C)C)cc1 299781016 SWQYNZYAIIHYCF-OAHLLOKOSA-N 330.432 2.794 0 50 EFAA COCc1nc(NCc2cnc(C)cc2C)cc([C@H]2CCOC2)n1 299801761 YUOPXVXSKMIUOJ-AWEZNQCLSA-N 328.416 2.751 0 50 EFAA O=C(NCCN1CCCc2ccccc21)c1nc2ccccc2nc1O 828215523 GFBVBISLUGJJNW-UHFFFAOYSA-N 348.406 2.518 0 50 EFAA Cc1nc(O)c2c(n1)CN(C(=O)NCC[C@@H](C)c1ccccc1)C2 825275649 JOSBQYJTGKSBHQ-GFCCVEGCSA-N 326.400 2.710 0 50 EFAA CNc1nc(-c2n[nH]c(Cc3ccc(OC)c(OC)c3)n2)cs1 824603773 JRKUEHZYXKRLKD-UHFFFAOYSA-N 331.401 2.578 0 50 EFAA CO[C@@H]1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 584900516 GVNNCRCYXLMQAC-GFCCVEGCSA-N 335.791 2.925 0 50 EFAA COCc1nc(C[C@@H]2NC(=O)c3ccccc32)n(C2CCCCC2)n1 670457685 JDVRRSQFABXKKJ-INIZCTEOSA-N 340.427 2.957 0 50 EFAA C[C@H]1Cc2cc(NC(=O)c3ccc4c(=O)n(C)cnc4c3)ccc2O1 952966153 DMFBXXMLWCERMA-NSHDSACASA-N 335.363 2.509 0 50 EFAA C[C@H](CNC(=O)N1CCOC[C@@H]1CC1CC1)N1CCc2ccccc21 1477694618 PDZPGVBRADMRDJ-QAPCUYQASA-N 343.471 2.648 0 50 EFAA COc1cc(CC(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)ccc1C 408469685 JJIHCJHKKCTARF-HNNXBMFYSA-N 328.416 2.726 0 50 EFAA Clc1ccc(-c2noc(CCN3CC[C@@H](c4nc[nH]n4)C3)n2)cc1 408524897 OGUDYSORVWOCRV-GFCCVEGCSA-N 344.806 2.540 0 50 EFAA O=C(Cc1ccco1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 270957849 NVVKYUMALWYOPC-JTQLQIEISA-N 336.750 2.536 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccncc2Br)CC(C)(C)O1 272663923 IJOTUDGGTZFSRL-VIFPVBQESA-N 328.210 2.875 0 50 EFAA Cn1cnnc1CNc1ccccc1NC(=O)Cc1cccs1 170592939 KYSLJIKZWDOMFX-UHFFFAOYSA-N 327.413 2.670 0 50 EFAA Cc1csc([C@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCO2)n1 170611926 OVMVTDOGVOXHLL-HZPDHXFCSA-N 343.452 2.778 0 50 EFAA Cn1nnc2cc(C(=O)OCCN3CCCc4ccccc43)ccc21 170645991 XGWAYNDBBGXLOL-UHFFFAOYSA-N 336.395 2.578 0 50 EFAA CCOC(=O)N[C@H]1CCCN(Cc2nccn2-c2ccccc2)C1 170611876 DKSUIDVGNDFXSO-HNNXBMFYSA-N 328.416 2.583 0 50 EFAA CC(=O)Nc1cccc(NC(=O)c2nn[nH]c2-c2ccccc2)c1C 170619307 CERNSLUPSUORIQ-UHFFFAOYSA-N 335.367 2.991 0 50 EFAA O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 189372762 QNSVDGLSSZIJKJ-AWEZNQCLSA-N 348.340 2.790 0 50 EFAA CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccon2)n1 190098658 RQOSELFWUZCTGI-JTQLQIEISA-N 336.373 2.677 0 50 EFAA CC[C@@H](CCO)NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 190745936 HCSNRLYYDZIISM-LBPRGKRZSA-N 345.365 2.847 0 50 EFAA CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 191902703 NZRXSWPRGRLPQN-DLBZAZTESA-N 330.359 2.933 0 50 EFAA Cc1ccccc1C1(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)CC1 646056631 YETOOSIUBCYFAQ-UHFFFAOYSA-N 345.420 2.802 0 50 EFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)NCc1cc(F)ccc1F 729817836 VKKZJKXTMRRBFA-UHFFFAOYSA-N 343.337 2.749 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)[C@@H]1C[C@H]1C)C(=O)O 746368049 RNVCYJVZLHEVCS-BIZFCNDTSA-N 345.374 2.526 0 50 EFAA CCC(=O)N1CC[C@@H](NCc2sc3nc(C)nc(C)c3c2C)C1 761990234 SFEXNDVDYLZTRF-CYBMUJFWSA-N 332.473 2.717 0 50 EFAA O=C(CSc1ccc(Br)cc1)NC[C@H]1CCCO1 3237293 KOVQZWBAIRLDGQ-LLVKDONJSA-N 330.247 2.836 0 50 EFAA C[C@H]1CN(C(=O)c2cccc(I)c2)C[C@@H](C)O1 15723670 DICHHKKXAAKIAW-AOOOYVTPSA-N 345.180 2.541 0 50 EFAA CCn1c(=O)n(CC)c2cc(NC(C)=O)c(Br)cc21 16489500 NHEGWCFQPXFACE-UHFFFAOYSA-N 326.194 2.564 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2 169752854 UTPSXAUTUCQIEU-UHFFFAOYSA-N 334.322 2.724 0 50 EFAA CCc1nn(C)cc1C(=O)N1CC[C@@H]2CC[C@@]21c1nnc(C(C)C)o1 1857533019 PKJUBLWXWXBJAI-SGTLLEGYSA-N 343.431 2.640 0 50 EFAA NCc1cccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1 1857669097 XEJISQIKXHCLIT-UHFFFAOYSA-N 346.434 2.776 0 50 EFAA CCCCOc1c(CN2C[C@@H]3CCOC[C@]3(CO)C2)cccc1OC 1857669559 SZZBAAUJFDNKCY-FXAWDEMLSA-N 349.471 2.705 0 50 EFAA CCc1ocnc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857673926 ORRVHIDYSSSQNA-VPWXQRGCSA-N 340.423 2.835 0 50 EFAA COc1ccc(-c2nccn2CC2(CO)CCOCC2)c(OC)c1C 1857680034 FPLPEXXFLLMXEI-UHFFFAOYSA-N 346.427 2.665 0 50 EFAA CCOC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2 4287569 XSXVOVXVHBSSSN-UHFFFAOYSA-N 326.418 2.800 0 50 EFAA in-vitro CN1C[C@H](NC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1=O 333066628 FSCXMFLHGSNJJN-NWANDNLSSA-N 335.835 2.506 0 50 EFAA O=C(O)CCN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 238078921 RRBZRVQSZLSNIG-UHFFFAOYSA-N 331.412 2.661 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1CCOc1ccccc1Cl 337236830 CLQXVBOCUPIBPX-FVQBIDKESA-N 325.836 2.581 0 50 EFAA O=C1[C@H](Sc2nnc(-c3ccccc3)o2)CCN1C1CCOCC1 241170978 KDFSRAJQHKHKCV-CQSZACIVSA-N 345.424 2.609 0 50 EFAA C[C@@H]1Oc2ccc(Nc3ncncc3Br)cc2NC1=O 253428488 DHVLYSHMLVINSQ-ZETCQYMHSA-N 335.161 2.702 0 50 EFAA CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](C(=O)O)[C@@H](C)C1 900965995 QZRHDWGQTVLJOM-WCBMZHEXSA-N 330.306 2.850 0 50 EFAA C[C@@H]1Cc2cnccc2N1S(=O)(=O)c1occc1Br 903633657 BDNDTWZZIMSABW-MRVPVSSYSA-N 343.202 2.577 0 50 EFAA CCc1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)nc1 922471055 CAVMKRQCOWISSG-UHFFFAOYSA-N 325.412 2.857 0 50 EFAA Cn1nc2c(c1NC(=O)Cc1cccc(C(F)(F)F)n1)CCCC2 828190851 SWEKBGROPFWZMV-UHFFFAOYSA-N 338.333 2.894 0 50 EFAA C=CC(=O)N(C)CC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 858669851 DIDBKRVPQJZZSN-UHFFFAOYSA-N 329.227 2.986 0 50 EFAA C[C@H](CO)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C1CCCC1 863983357 GLXVEFUDGKVHQA-BMFZPTHFSA-N 326.481 2.773 0 50 EFAA Cc1cc(N2CCN[C@@H](c3ccc(O)cc3)C2)nc(-c2cccnc2)n1 952993088 VYOCZDRLXOHPOK-GOSISDBHSA-N 347.422 2.704 0 50 EFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCNC2)cc1 1875292487 JQOXPIICWFUUGQ-SESVDKBCSA-N 349.478 2.930 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cn4ccncc4n3)cc2)n1 1875323045 ULTXDGJBLHVBRG-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA O=C(CCc1cccc(F)c1Cl)N[C@@H](CO)Cc1ccccn1 1875329496 ZFCDZNWHTPARAI-CQSZACIVSA-N 336.794 2.527 0 50 EFAA COc1cc(F)ccc1NC(=O)N1CCN(c2ccncc2)[C@@H](C)C1 878168823 HYZGVPBOUIGJIF-ZDUSSCGKSA-N 344.390 2.972 0 50 EFAA COc1cncc(NC(=O)N2CCC(Cc3cccnc3)CC2)c1 880555645 QTOILXVPYFROBY-UHFFFAOYSA-N 326.400 2.972 0 50 EFAA CCn1nc(C(=O)N2CC[C@@H](Oc3ccc(C)cn3)C2)cc1C1CC1 899676168 KYYDBAGTDFFUDW-OAHLLOKOSA-N 340.427 2.777 0 50 EFAA O=C(c1ccccc1Br)N1CCCC[C@@H]1c1nc[nH]n1 179350125 RMGULVOSQWLJJJ-GFCCVEGCSA-N 335.205 2.935 0 50 EFAA O=S(=O)(C[C@@H]1CC[C@H](F)C1)N[C@H]1Cc2ccc(Cl)cc2C1 2325776314 UFTSKFGSVHWJRW-ONERCXAPSA-N 331.840 2.865 0 50 EFAA Cc1nn(CC(F)F)cc1CNC[C@@H](CC1CCCC1)C(=O)O 2325787802 XVNMITSYACMHJG-CYBMUJFWSA-N 329.391 2.827 0 50 EFAA C[C@H](NC(=O)c1ccnc(NC2CCCC2)c1)[C@H](N)c1ccco1 2325789476 RVYLUYDCLPHGCS-SJCJKPOMSA-N 328.416 2.847 0 50 EFAA Cc1[nH]c(=N)[nH]c(=NCc2ccc(Oc3ccc(F)cc3)nc2)c1C 2325858761 ZLWMOLKTJMVREU-UHFFFAOYSA-N 339.374 2.866 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)Cc1c[nH]nc1-c1ccn(C)n1 2325862489 WBKHDWGVDRBGSJ-UHFFFAOYSA-N 347.426 2.628 0 50 EFAA Cn1nc(C(F)(F)F)cc1CN1Cc2ccccc2[C@@H](C(=O)O)C1 901624344 ZYGAINDPLLOQEL-ZDUSSCGKSA-N 339.317 2.623 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 339628 YDAFQQABNUKMCN-INIZCTEOSA-N 327.336 2.560 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1 358083 MQKALKBMXZAWEQ-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)NCc1cccc2ncsc12 2356162037 UXHZNISXVBWPAJ-UHFFFAOYSA-N 339.376 2.521 0 50 EFAA Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCC[C@H](C)C1 6721019 WTFTZFREMWHPBP-VFZGTOFNSA-N 339.233 2.587 0 50 EFAA CCCc1nnc(SCC(=O)Nc2cccc(C(=O)OC)c2)o1 6730594 NEUJXXUGUXYZSP-UHFFFAOYSA-N 335.385 2.540 0 50 EFAA CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)o1)C1CCCCC1 1362006715 CQDRFSAHMITGFW-SNVBAGLBSA-N 348.852 2.669 0 50 EFAA COCCCNC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 411445797 NOURCMGUFKSXGI-SECBINFHSA-N 337.222 2.936 0 50 EFAA Cc1c(S(=O)(=O)N[C@@H](C)c2nccs2)c2ccccc2n1C 225448323 DLFIMHUGFAWZDP-JTQLQIEISA-N 335.454 2.983 0 50 EFAA CC(=O)N(c1nc(CN(C[C@@H]2CCOC2)C2CC2)cs1)C1CC1 114714501 ZGMVKUTXMDKLAB-ZDUSSCGKSA-N 335.473 2.659 0 50 EFAA CCCCSc1nc(N)cc(N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)n1 102564545 IXMABOIJFHWEHN-VIKVFOODSA-N 335.521 2.727 0 50 EFAA COc1c(Cl)cc(Cl)cc1CNCCCN1CCOCC1 20018619 RPOCPUMUNUMIIG-UHFFFAOYSA-N 333.259 2.814 0 50 EFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 20731623 UMUVQTGZJSVZDR-APWZRJJASA-N 338.407 2.531 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NCc1nc(-c2cccnc2)no1 65461540 WWOQXUJQAHQUCR-HNNXBMFYSA-N 349.438 2.668 0 50 EFAA CCn1ncnc1CN1CCc2[nH]nc(/C=C/c3ccccc3)c2C1 20773760 RRHOYYZVJRLDDG-CMDGGOBGSA-N 334.427 2.750 0 50 EFAA O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 315147 GKLJDSPBTCNUHG-OAHLLOKOSA-N 326.371 2.538 0 50 EFAA CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 3831001 BKRGVLQUQGGVSM-KBXCAEBGSA-N 338.455 2.841 0 50 EFAA biogenic,world C[C@@H]1CN(c2ccc(Br)cn2)C[C@]2(CCCOC2)O1 328588428 GINCWVATQVJKDS-RISCZKNCSA-N 327.222 2.618 0 50 EFAA COc1cccc2c1CCCCN2C(=O)c1cncc(-n2ccnn2)c1 253392637 DPHNBRMEJOLSTC-UHFFFAOYSA-N 349.394 2.654 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CC=CCC2)on1 328625317 CZCYAGGJTDSOJS-PMPSAXMXSA-N 335.423 2.710 0 50 EFAA Nc1c(Cl)ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1Cl 253419398 NXHLVQRGIXUSJQ-SECBINFHSA-N 328.243 2.790 0 50 EFAA c1nc(N2CCC(c3nnc4n3CCCCC4)CC2)c2cc[nH]c2n1 77387222 LDCFTPRJVUWRJF-UHFFFAOYSA-N 337.431 2.660 0 50 EFAA O=C(c1ccc(Cl)cn1)N1CCO[C@H](Cc2cccc(F)c2)C1 71747245 ICTBJRPFVUTRPE-OAHLLOKOSA-N 334.778 2.958 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCO1 238052725 YRXPFCJRKPFNDO-SFHVURJKSA-N 339.391 2.598 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)o1 72153985 QNKRAJVQKYDOQH-HNNXBMFYSA-N 331.391 2.855 0 50 EFAA O[C@H]1CCN(Cc2ccccc2CNC2CC(c3ccccn3)C2)C1 368031134 RQMKLDGOHIPRSQ-MHJFOBGBSA-N 337.467 2.684 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(F)cc1 72411488 OHIZIQXYDNVRKV-GOSISDBHSA-N 347.478 2.638 0 50 EFAA COc1ccc(C)nc1NC(=O)N1CCC(Cn2cccn2)CC1 126860086 HBLCXPGPBZOZOE-UHFFFAOYSA-N 329.404 2.539 0 50 EFAA O=C(CCc1nc[nH]n1)N1CCC2(CC1)C1CC3CC(C1)CC2C3 376067928 JDSXSCFDCUVULJ-UHFFFAOYSA-N 328.460 2.802 0 50 EFAA C[C@H](NC(=O)c1c(O)cccc1O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216516210 HFTRYADNCWVQBM-MKIWLTPFSA-N 331.412 2.547 0 50 EFAA CC(C)n1cc(C(=O)N2CCCC[C@@H]2CCc2nccn2C)cn1 77438264 XZDDGWIYGFVKGJ-MRXNPFEDSA-N 329.448 2.825 0 50 EFAA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3nc[nH]c23)C1 128234952 KAGNRYHIMIDAEX-NWDGAFQWSA-N 349.316 2.684 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c2c(C(C)C)noc2n1 333791773 DLIDOLJIBMAFDG-LXTVHRRPSA-N 339.395 2.680 0 50 EFAA CC1(C)O[C@H](C(=O)c2ccoc2)[C@@H](COC(=O)c2ccccc2)O1 71786960 IWEGJKWNPQDLQU-ZBFHGGJFSA-N 330.336 2.839 0 50 EFAA CC1(C)CN(C(=O)NCc2cc3ccccc3[nH]2)C[C@@]2(CCOC2)O1 280803477 HMDRKPKNFLMPKD-LJQANCHMSA-N 343.427 2.647 0 50 EFAA CC(C)Oc1cncc(C(=O)N[C@H]2CCc3ccccc3OC2)c1 338057798 SBEMPPJFYVBWBY-INIZCTEOSA-N 326.396 2.992 0 50 EFAA O=C(c1ccccc1)N1CC[C@H](Cn2cnc(-c3ccccn3)n2)C1 282269653 TUZWIBDXJGIBFF-HNNXBMFYSA-N 333.395 2.502 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CC[C@H]1c1ccc(F)cc1 220362633 KZTLDKXSZUKJKK-INIZCTEOSA-N 329.375 2.844 0 50 EFAA Cn1nccc1CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 131682592 YMDNZPLTBNMHFI-KRWDZBQOSA-N 329.400 2.549 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)n1 220575951 MORWEHVTDIGVCE-TZMCWYRMSA-N 347.440 2.628 0 50 EFAA O=C(NC(C1CC1)C1CC1)N1CCC[C@@H](OCc2ccccn2)C1 426667286 AATZVWNZTCXPBM-QGZVFWFLSA-N 329.444 2.961 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@H]1c1c(C)noc1C 220687803 WAWNGZKIPBPDMP-HNNXBMFYSA-N 344.415 2.700 0 50 EFAA CC1(C)CCC[C@@H]1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 174971907 YGLBJBWMDWYSPQ-ZDUSSCGKSA-N 333.823 2.688 0 50 EFAA CCN1CCC[C@H]1CNC(=O)N(C)Cc1cccc2cnccc12 426527671 FIFHSFGRDLWDNF-KRWDZBQOSA-N 326.444 2.861 0 50 EFAA CC[C@@H](NCC1(C(N)=O)CCOCC1)c1cccc(Cl)c1F 161562899 GIOQMYFKLZPXIA-CYBMUJFWSA-N 328.815 2.802 0 50 EFAA CN(CCOc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCCN1C 426647847 AFTPHSDKKXTNLT-HNNXBMFYSA-N 339.867 2.845 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc(OC)c2C)C1 92080560 SQMIIARHXLDXTE-IBGZPJMESA-N 349.427 2.737 0 50 EFAA CC(C)N1CCC[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O 91551846 DREOYZIPHVBWGN-HNNXBMFYSA-N 342.365 2.723 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCCC(=O)O)C1 91974339 FYJHYZPGHCXODG-LJQANCHMSA-N 347.411 2.841 0 50 EFAA CCCCOc1c(CN2CC[C@@]3(CCCNC3=O)C2)cccc1OC 91707900 MCDJDZVBXKVCQG-FQEVSTJZSA-N 346.471 2.976 0 50 EFAA CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C[C@H]1CCCO 91624723 ZLVNKOMZCPPUKP-WBMJQRKESA-N 342.842 2.644 0 50 EFAA Cc1ccccc1C1(C(=O)NCC2(N3CCOCC3)CC2)CCCC1 292081375 UFSBHOUDUXGUFK-UHFFFAOYSA-N 342.483 2.788 0 50 EFAA O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95392138 YLXTUYVVHBRZPA-VQTJNVASSA-N 335.451 2.747 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCn3nc(C)c(Cl)c3C)[nH]n2)o1 91585896 TYKHHLCTEWDKAT-UHFFFAOYSA-N 347.806 2.875 0 50 EFAA CCc1nn(C)c(NC(=O)N2CCC(CCn3cccn3)CC2)c1C 96163717 YVSBYONSSSDUHW-UHFFFAOYSA-N 344.463 2.822 0 50 EFAA O=C1CCC2(CCN(Cc3cncnc3)CC2)CN1C1CCCC1 91848828 VNVQGHORZIVMMR-UHFFFAOYSA-N 328.460 2.624 0 50 EFAA Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCCCN1C 91690160 NVSLQXKEALXSDD-GOSISDBHSA-N 326.444 2.671 0 50 EFAA O=C(NCc1ccc2nsnc2c1)[C@H]1CCOc2ccccc2C1 97436920 GGANXGVCIQCAPS-AWEZNQCLSA-N 339.420 2.949 0 50 EFAA O=C(O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@H]1CCC[C@@H]1[C@H]3[C@]42C(=O)O 247449759 ZKDVHTYVHJEFEP-RFWTVGCMSA-N 328.408 2.726 0 50 EFAA CCC[C@@]1(CO)CCN(C(=O)c2cccc(OC)c2OC(F)F)C1 293072933 QUEANISYYLTQBN-QGZVFWFLSA-N 343.370 2.921 0 50 EFAA O=C(NCCCOC1CCCCC1)c1ccccc1-n1cncn1 534653715 YHZWAFWOTJHDJW-UHFFFAOYSA-N 328.416 2.737 0 50 EFAA O=C([C@H]1CCCO1)N1CCCN(C/C=C/c2ccc(F)cc2)CC1 367427680 BORQUTKFMVSOMM-HVTRQVLWSA-N 332.419 2.552 0 50 EFAA CN(C[C@H]1CCCCN1C)C(=O)c1cc(Cc2ccc(F)cc2)no1 299771141 SYHYJVACBVNDQU-QGZVFWFLSA-N 345.418 2.961 0 50 EFAA CCn1cc(C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)cn1 823602197 XBMMSHUZEXMAAR-AWEZNQCLSA-N 332.473 2.607 0 50 EFAA CN(C)c1ccc(C(=O)NCCOc2cccc3cccnc23)cn1 828163267 NJXSFFGRZFCGLK-UHFFFAOYSA-N 336.395 2.505 0 50 EFAA CC(C)(C)OC(=O)NC1CCN(c2nc(Cl)nc(Cl)n2)CC1 665887197 ZISPQPJXPFLQGT-UHFFFAOYSA-N 348.234 2.672 0 50 EFAA CC(C)Cc1nc(CCC(=O)NC2CCCC2)n(-c2ccncc2)n1 821477614 RCJVBAHFRYOWJH-UHFFFAOYSA-N 341.459 2.852 0 50 EFAA CN(CCc1nc2ccc(F)cc2[nH]1)Cc1noc([C@@H]2CCCO2)n1 670434006 QTGQZDMECCTVME-AWEZNQCLSA-N 345.378 2.611 0 50 EFAA Cc1nc([C@@](C)(NC(=O)c2ccc(OCC3CC3)nc2)C2CC2)no1 1412126774 CMGGGEQBFSKLOI-SFHVURJKSA-N 342.399 2.617 0 50 EFAA C[C@@H](NC(=O)[C@@]1(C(=O)O)CC1(C)C)c1ccc(OC(F)F)cc1 663101240 FDNTUVZCIYVYOB-JDNHERCYSA-N 327.327 2.966 0 50 EFAA CCCS(=O)(=O)CC(=O)Nc1ncc(C2CCCCC2)s1 273033818 UZDYRPDPNLCRKP-UHFFFAOYSA-N 330.475 2.954 0 50 EFAA O=C(NC1(Cc2ccccc2)CC1)c1cc2c(nc1O)CCCC2=O 274744654 OESKGEPUBRXRQP-UHFFFAOYSA-N 336.391 2.811 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cc(C(C)(C)C)on2)o1 275536669 ZEWNEHQUNKYJKH-LBPRGKRZSA-N 348.403 2.692 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2nccc3ccccc23)CCO1 276439432 XCFGOLSWMITRFI-YOEHRIQHSA-N 336.395 2.618 0 50 EFAA COc1cc(SC)ccc1NCCN1C(=O)NC2(CCCC2)C1=O 278029592 HXCNFSVVWVTJDI-UHFFFAOYSA-N 349.456 2.694 0 50 EFAA CC(C)(C)c1[nH]cnc1C(=O)Nc1nc(C2CCNCC2)cs1 638332299 DWEKVFKIZJDGHQ-UHFFFAOYSA-N 333.461 2.883 0 50 EFAA CC(C)(C)c1nc(Cn2cnc3c(sc4ncccc43)c2=O)no1 641499699 HBHNSANGJNKABW-UHFFFAOYSA-N 341.396 2.735 0 50 EFAA CCCN1CCCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1=O 190116204 OLLHBNVHLJEZIY-OLZOCXBDSA-N 349.397 2.761 0 50 EFAA CCn1nccc1N1CCC[C@@H](NC(=O)Nc2cccc(C)c2)C1=O 191213236 YTHCMIPRABHGMR-OAHLLOKOSA-N 341.415 2.529 0 50 EFAA CC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1 192261260 HAZJKNPJOIUYQP-UHFFFAOYSA-N 344.436 2.853 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)c1ncccc1Br 193448974 BHSGFVLYJQMSJI-GFCCVEGCSA-N 349.232 2.654 0 50 EFAA Cc1c(Br)ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1F 194203284 RUXFWUCEGBFSAH-VHSXEESVSA-N 343.196 2.955 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1occc1C(=O)O 652385994 QYACQGDLPNHQOV-LLVKDONJSA-N 337.397 2.574 0 50 EFAA Cc1cnccc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 195337092 RBXBPVLGRINJIZ-UHFFFAOYSA-N 338.455 2.768 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@@H](OC4CCC4)C3)c(F)cc2N1 655279973 BJOCZXAXFCHEQM-CQSZACIVSA-N 346.402 2.884 0 50 EFAA Cc1ccc(N2CCC(N3CCN(C(=O)C4CCC4)CC3)CC2)cc1 1506400867 GUAXZQUGGSRYCQ-UHFFFAOYSA-N 341.499 2.908 0 50 EFAA COc1ccc([C@H](C)NC(=O)c2nc(N)nc3c2CCCC3)cc1F 1506430131 WMJBIJLHOIHBOQ-JTQLQIEISA-N 344.390 2.576 0 50 EFAA Cc1nc(N2CCCN(C(=O)c3ccco3)CC2)c2ccccc2n1 1529102064 VBTWASUXRLDAEG-UHFFFAOYSA-N 336.395 2.884 0 50 EFAA Cc1ccc(OCCOC(=O)Cn2c(=O)sc3ccccc32)cc1 5683400 MWMFEEIUZIWAJK-UHFFFAOYSA-N 343.404 2.994 0 50 EFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12002084 CZGGUSONTNQLQR-CQSZACIVSA-N 336.457 2.767 0 50 EFAA O=C(c1sccc1Cl)N1CCC[C@H](N2CCC(CO)CC2)C1 12300886 VFYIXAINSAOZAP-ZDUSSCGKSA-N 342.892 2.710 0 50 EFAA CCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 13942563 FDXVQAAJZTWGTJ-LLVKDONJSA-N 330.413 2.716 0 50 EFAA COCCNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 15075164 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326.352 2.538 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H](OC2CCC2)C1 654539423 GYNVVCZZMQPPJL-UKRRQHHQSA-N 333.432 2.894 0 50 EFAA COc1cccc([C@H](OC)C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)c1 659147369 YWWDANOPUJCTFT-HOCLYGCPSA-N 349.427 2.732 0 50 EFAA COC[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(C)n[nH]c1C 1506402319 NEJWTAFAPYPMIU-AWEZNQCLSA-N 329.444 2.941 0 50 EFAA O=C1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2F)CCN1 1857530130 KSDUFMBTBGNZLJ-ZCFIWIBFSA-N 349.587 2.706 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@H]1Cc2ccccc2C(=O)N1 1529195331 JXUGIPAWCZNKLW-MRXNPFEDSA-N 338.411 2.600 0 50 EFAA CC(=O)c1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1C 1704315842 PEXSSGUNZUDDKF-UHFFFAOYSA-N 342.418 2.839 0 50 EFAA CC(=O)N(/C=C/C=C/C=C1/OC(=S)N(C)C1=O)c1ccccc1 4208026 GFDCIQXMEPYGIT-OMYWGSPBSA-N 328.393 2.767 0 50 EFAA CC[C@@](C(=O)OC)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1772575831 LSDAAXGGXQCLOJ-IBGZPJMESA-N 341.338 2.900 0 50 EFAA CC1CCN(C(=O)COc2ccccc2C(=O)C2CCOCC2)CC1 1775979983 RBGMFINZHWIHSQ-UHFFFAOYSA-N 345.439 2.933 0 50 EFAA 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C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(CN)o2)CC1 237506063 NGPQLHXXHXUMKU-LBPRGKRZSA-N 349.381 2.536 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 238074247 MKQLOXPWYQTWLK-FRRDWIJNSA-N 338.201 2.628 0 50 EFAA C[C@@H](O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 338758704 TYRSXGJCKRYJCE-MTVUPLSESA-N 336.863 2.751 0 50 EFAA O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CC[C@@H](CN2CCCC2)C1 246125810 AYUIHCDFXVJXTB-HNAYVOBHSA-N 345.462 2.563 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N1CC[C@](C(=O)O)(C(F)(F)F)C1 261645984 DSRXSXMBLWHZGO-HNNXBMFYSA-N 327.302 2.655 0 50 EFAA COc1c(F)cc(S(=O)(=O)N2CCCc3ncccc32)cc1F 903633962 PLAIJNKNSHGCGM-UHFFFAOYSA-N 340.351 2.510 0 50 EFAA CCc1onc(C)c1NC(=O)NCCc1c(F)cc(O)cc1F 930573661 NTUHMVANCFKVGA-UHFFFAOYSA-N 325.315 2.893 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](Nc3c(C)c(C)nc4ncnn34)C2)o1 952890630 FQGRTHICNFMPJM-OLZOCXBDSA-N 341.419 2.510 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2ccc3[nH]nc(C(=O)O)c3c2)CC1 1875299926 BKLLJBDGSSGHDP-ZDUSSCGKSA-N 345.399 2.682 0 50 EFAA CC1(C)CN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)[C@@H]1O 1875396856 GIMYLZADNNXPLI-OWCLPIDISA-N 332.444 2.708 0 50 EFAA C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@@H]1OCCO[C@@H]1C 1775987923 HHRMXHQHVIRKLT-FRQCXROJSA-N 340.423 2.975 0 50 EFAA Cc1csc([C@H]2Cc3ccccc3N(Cc3cnnn3C)C2)n1 1776005394 IJOOIZNQMVOCCK-AWEZNQCLSA-N 325.441 2.927 0 50 EFAA O=C(c1cscc1Br)N1CCC[C@H](n2cncn2)C1 408074367 ZWHZBSOFFWWIHF-VIFPVBQESA-N 341.234 2.579 0 50 EFAA CC(C)n1nccc1-c1nc(-c2ccccn2)nn1-c1cnn(C)c1 2100534902 ZBLSQDVZQOFVFK-UHFFFAOYSA-N 334.387 2.507 0 50 EFAA O=C(O)[C@@H]1C[C@H](Oc2ccccc2)CN1Cc1ccnn1C1CCC1 2325780297 WIQWIFNYGXCCOP-ROUUACIJSA-N 341.411 2.715 0 50 EFAA Cc1c(F)cccc1C(=O)N1CC[C@@H]([C@H]2CCCN2C(=O)C2CC2)C1 2325875001 CXXXLDZDKHEQSU-CRAIPNDOSA-N 344.430 2.997 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC[C@H](Cn2ccnn2)C1 126445229 WWEBIBMUHICYLW-AEGPPILISA-N 346.381 2.599 0 50 EFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1 275836 ZNRQABQUHMHPRY-QGZVFWFLSA-N 337.379 2.962 0 50 EFAA 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343.471 2.887 0 50 EFAA O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252585027 FQLCTXSDCUGFDW-PBWTXFEYSA-N 348.402 2.888 0 50 EFAA CO[C@@H]1c2ccccc2C2(CCN(CCCn3cccc3)CC2)[C@H]1O 72166701 LQWWZYUYCQWFPT-UXHICEINSA-N 340.467 2.974 0 50 EFAA COc1cc(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)ccc1O 71751612 DKIKXZNFHBLTJJ-QGZVFWFLSA-N 346.471 2.983 0 50 EFAA CCN1CC[C@@H](NCc2nccn2C)[C@H]1c1cc(F)c(F)c(F)c1 253369262 AKKGVHOVWWPIQK-RHSMWYFYSA-N 338.377 2.763 0 50 EFAA O=C(NCCc1cnc(C2CC2)nc1)N1CCC[C@H]1c1ccncc1 253413618 HBFXFIGOJOUSFJ-KRWDZBQOSA-N 337.427 2.838 0 50 EFAA O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccnc(F)c1 253417742 FSNGOGOHIYNSKZ-UHFFFAOYSA-N 337.301 2.588 0 50 EFAA COc1ccc2cc(C(=O)[C@@H]3CCCN(CCC(N)=O)C3)ccc2c1 71404084 YUIQEDKWETWIMT-QGZVFWFLSA-N 340.423 2.619 0 50 EFAA Cn1c(CN2CC[C@](CO)(c3ccccc3)C2)nnc1-c1ccccc1 361591894 SOMFVHXEXPSEGI-NRFANRHFSA-N 348.450 2.618 0 50 EFAA NC(=O)c1ccc(OC[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 153499834 UAGXHQGUWGVOMG-APWZRJJASA-N 341.407 2.619 0 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CCn1cc(C2CCN(C(=O)c3ccc(C(=O)O)cc3F)CC2)cn1 262732655 HLXGLQGDXPFRHX-UHFFFAOYSA-N 345.374 2.760 0 50 EFAA C[C@@H]1OCC[C@@]12CN(CCC(=O)Nc1ccccc1Cl)CCO2 280387911 KDTKWSLCFMISAH-SUMWQHHRSA-N 338.835 2.548 0 50 EFAA CCOc1cc2c(cc1CN1CC[C@@]3(C1)CN(C)C(=O)O3)CCC2 72474134 JJNYLTMDVDWCOE-IBGZPJMESA-N 330.428 2.601 0 50 EFAA COc1csc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 378141486 VGMOHXNOGCTINO-SFHVURJKSA-N 349.427 2.963 0 50 EFAA CN1CCc2ccc(C(=O)NCc3cccc(Cn4cccn4)c3)cc21 159310228 DBBKZUHNWAVWOH-UHFFFAOYSA-N 346.434 2.854 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 128062572 WYBAICWEVRKATN-KOLCDFICSA-N 346.330 2.644 0 50 EFAA CCN(Cc1nccn1C)Cc1nccn1-c1ccc(OC)cc1 215247257 AQIVEYZRUKRJBD-UHFFFAOYSA-N 325.416 2.637 0 50 EFAA CCOC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)C2CC2)nc1C 13961471 JMRPAWMBIFFHDJ-LBPRGKRZSA-N 338.429 2.550 0 50 EFAA Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 241738598 QYVDDEUOMMIXDZ-WKPIXPDZSA-N 346.381 2.931 0 50 EFAA O=C(O)C1CCC(Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 263393206 FTWKMWRKPLWVSC-UHFFFAOYSA-N 335.379 2.801 0 50 EFAA CC[C@H]1Oc2cc([C@@H](C)Nc3cc(Cl)nc(N)n3)ccc2NC1=O 173997305 PMGQLFGLSIUSSV-LDYMZIIASA-N 347.806 2.995 0 50 EFAA CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 285230332 QLXAJZAFKBPQGQ-GFCCVEGCSA-N 325.459 2.533 0 50 EFAA O=C(CSc1ccncc1)N1CCCC[C@H]1CCn1cccn1 222598844 LFSYDBKWCHWXCN-HNNXBMFYSA-N 330.457 2.842 0 50 EFAA Cc1cccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)c1 91965921 OUEZYBMTBHXVLP-UHFFFAOYSA-N 330.472 2.582 0 50 EFAA O=c1cc(CNCCc2nc3c(s2)CCC3)[nH]c2ccc(F)cc12 95387920 XVKHRTZJGRUPKV-UHFFFAOYSA-N 343.427 2.945 0 50 EFAA Cc1ncc(CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 91908240 YQHZNQMEMKRNCK-UHFFFAOYSA-N 342.487 2.932 0 50 EFAA Cc1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nn1 91665703 ROEMWDDCWVIYJW-UHFFFAOYSA-N 334.427 2.809 0 50 EFAA O=C(c1ccc(Cl)s1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91663062 PRILBTIFMASDSH-NWDGAFQWSA-N 348.859 2.933 0 50 EFAA COCC1(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCC1 97717297 XRNHJXFZFQHZRI-UHFFFAOYSA-N 337.847 2.967 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc(O)cc1F 291022601 FNHPHSIRXRUYLF-LBPRGKRZSA-N 332.350 2.927 0 50 EFAA C[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1 92037196 BDJRIDSWMIONBX-UTKZUKDTSA-N 344.499 2.908 0 50 EFAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)C2(c3ccccc3)CCCC2)C1 91476223 MJGNYTCPEZRDGR-QZTJIDSGSA-N 344.499 2.517 0 50 EFAA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C(=O)C[C@H]2c2ccccc21 248108368 MJNGQQGXBHYKAI-VLQPXKRTSA-N 331.371 2.954 0 50 EFAA COc1cccc2c1ccn2CC(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245256121 NVQCOIGDYQUBQA-HDJSIYSDSA-N 344.411 2.657 0 50 EFAA O=C(CCc1ccccn1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 180072905 IJHBUEWWDWRZFY-PBHICJAKSA-N 332.350 2.627 0 50 EFAA CCCc1cnc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)s1 180245976 DATXZHRDVXJQPA-INIZCTEOSA-N 345.468 2.935 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CCO1 180428918 IZYQUEZEJIWZNV-BZUAXINKSA-N 332.444 2.595 0 50 EFAA CC(C)c1ncncc1C(=O)NC1CCN(Cc2ccccc2)CC1 298728097 INCYMDZMZPXBSO-UHFFFAOYSA-N 338.455 2.994 0 50 EFAA COCC(C)(C)NC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 534656064 VPLGOEFLZSPMBO-UHFFFAOYSA-N 326.400 2.594 0 50 EFAA O=C(NCC1CCCCC1)c1nnn2c1CO[C@H](c1ccccc1)C2 263617959 QQAAEQPUBYTSGR-KRWDZBQOSA-N 340.427 2.860 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 299743903 PYLUTHKXMBPKMD-JCECYMMASA-N 348.487 2.885 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(-c3ccccc3)on2)C1=O 1940193456 PRVWJSHRBMXECD-LJQANCHMSA-N 339.395 2.569 0 50 EFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)O)C3)c1 299793128 JGSJHFDEFIWGSK-SNVBAGLBSA-N 330.365 2.534 0 50 EFAA COc1cccc(CN2Cc3ccccc3N(CC(=O)O)C2=O)c1 299758091 BEEFUBBJEIISKK-UHFFFAOYSA-N 326.352 2.722 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNc1cc([C@@H]2CCOC2)ncn1 299789093 WTKFJEUULNHRSC-LLVKDONJSA-N 341.337 2.616 0 50 EFAA CN1CCC(Oc2ccc(NC(=O)N[C@H]3CC[C@H](O)CC3)cc2)CC1 299800960 WLVAERKLUSNXCW-KOMQPUFPSA-N 347.459 2.585 0 50 EFAA CN(Cc1ccc2ccccc2n1)C(=O)NC1(C(=O)O)CCCC1 827884264 RSENGCFPBDMJFE-UHFFFAOYSA-N 327.384 2.774 0 50 EFAA CCOc1ccc(OCc2nc([C@@H]3CCCCN3C(C)=O)n[nH]2)cc1 823380003 FLVSXBIBHQHGKP-INIZCTEOSA-N 344.415 2.856 0 50 EFAA CC(=O)N1CCC(N2CCN3CCC[C@H]3[C@H]2C2CCCCC2)CC1 584904392 BFRAASKCBXSFQW-VQTJNVASSA-N 333.520 2.726 0 50 EFAA O=S(=O)(NC1CC1)c1ccc(Br)c(C(F)(F)F)c1 74937866 IJEJCBQLVWQHTO-UHFFFAOYSA-N 344.152 2.909 0 50 EFAA in-vitro CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1OC 269169466 GUCQAPZITVPDGH-SNVBAGLBSA-N 341.791 2.684 0 50 EFAA C[C@@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1cccc(F)c1F 165847911 YYDBILYDPMUOHC-OLZOCXBDSA-N 349.385 2.739 0 50 EFAA Cn1cc([C@@H](NC(=O)Nc2ccccn2)c2ccc(F)cc2)cn1 185653901 DCNLCGOIFQTTRR-INIZCTEOSA-N 325.347 2.865 0 50 EFAA Cc1nc2c(c(NCc3ccc(NS(C)(=O)=O)cc3)n1)CCCC2 272865721 MVQCTQNYNPKHPG-UHFFFAOYSA-N 346.456 2.647 0 50 EFAA Cc1ccc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)nc1 276141606 ZXBURGFKBXIRDV-LBPRGKRZSA-N 331.376 2.502 0 50 EFAA CCN1CCC[C@H]1CN(C)C(=O)c1ccc(-c2cncnc2)cc1F 186659184 NNWPJCUJEMFQPU-INIZCTEOSA-N 342.418 2.839 0 50 EFAA Cn1c(C(=O)OC[C@@H]2CCCN2C(N)=O)ccc1-c1ccc(F)cc1 170645771 HSQUOWQYYUTPNT-AWEZNQCLSA-N 345.374 2.531 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)C2)c(F)c1 170647496 DUYIEVAQSBYJBK-AWEZNQCLSA-N 349.383 2.702 0 50 EFAA CCS(=O)(=O)CCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 189490643 INBISUKJAYPWHX-SWLSCSKDSA-N 331.865 2.537 0 50 EFAA CS(=O)(=O)[C@H]1CCCCN(c2ncnc3[nH]c4ccccc4c23)C1 649348648 UOCJJAJESIVCGI-LBPRGKRZSA-N 344.440 2.515 0 50 EFAA O=C1CN(C(=O)NC[C@H]2CCc3ccccc3C2)Cc2ccccc2N1 654447809 JHMKMSHLMQHZQN-HNNXBMFYSA-N 349.434 2.955 0 50 EFAA O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@H]1c1ccsc1 654638173 WLFIKUBOLBDTDE-STQMWFEESA-N 347.444 2.764 0 50 EFAA CN(C)c1ncnc2c1ncn2Cc1cc(F)ccc1OC(F)F 657245997 NAMGBMPCZPODLS-UHFFFAOYSA-N 337.305 2.681 0 50 EFAA O=C(O)[C@@H]1C[C@H](F)CN1C(=O)NCc1csc(-c2ccccc2)n1 797709355 VRJKFEAHFRNQNR-AAEUAGOBSA-N 349.387 2.517 0 50 EFAA CN(Cc1cnc2ccccc2n1)[C@H]1CCC(=O)N(CC2CC2)CC1 1506402378 QTJCIKRKUFIEET-KRWDZBQOSA-N 338.455 2.853 0 50 EFAA CCc1oc(C(=O)Nc2cnn3c2NCCC3)cc1CN1CCCC1 1506404836 SBDXQTUPJUZLME-UHFFFAOYSA-N 343.431 2.702 0 50 EFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)CCN1CCCCC1=O 1506421639 SQPKIHJQVPIFNR-UHFFFAOYSA-N 340.427 2.737 0 50 EFAA O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(C(=O)O)c1 309839 JHXRIHIKTHUWAD-MDZDMXLPSA-N 326.377 2.911 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(-n3ccnc3)cc2)s1 1529138490 DDNMJCLHQXOMNS-JTQLQIEISA-N 329.385 2.684 0 50 EFAA COC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 152388659 QKRBOAQBGQSLRC-SSDOTTSWSA-N 330.258 2.758 0 50 EFAA O=C(Nc1ccc(I)cc1)c1n[nH]cc1Cl 5642378 AIFANFXKMPETEE-UHFFFAOYSA-N 347.543 2.920 0 50 EFAA CCc1c(C(=O)N(CC)CC)c(=O)cc(C)n1C[C@@H]1CCCN1CC 11788428 ZXCQFXAFOYENGE-INIZCTEOSA-N 347.503 2.685 0 50 EFAA O=C(CCc1ccccc1)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 12051728 XTSFVSFXRDJQQF-IBGZPJMESA-N 337.419 2.658 0 50 EFAA CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 12430520 OVXLGYCERKMLKP-MRXNPFEDSA-N 334.435 2.865 0 50 EFAA CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C)CC1 13710577 CIHCAAFPKPNJQP-OAHLLOKOSA-N 333.428 2.872 0 50 EFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OC(C)C)n1 16488503 ODUZUGUYXLTRME-UHFFFAOYSA-N 333.413 2.596 0 50 EFAA Cc1ccn2cc(C(=O)N3CCN(c4cc(C)nc(C)c4)CC3)nc2c1 19146406 GVQLNEFCXRFUHV-UHFFFAOYSA-N 349.438 2.617 0 50 EFAA O[C@H]1CNCC[C@@H]1n1ccnc1-c1nc(-c2ccccc2)cs1 1857731083 JXRLLVQUKPJULW-GJZGRUSLSA-N 326.425 2.569 0 50 EFAA C[C@H](C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 408524038 XAHCWEICYIZBDZ-GXFFZTMASA-N 339.233 2.870 0 50 EFAA CCc1c(NC(=O)CCn2ccnn2)cnn1-c1cccc(Cl)c1 225391365 DKPIMYGIVVTMLO-UHFFFAOYSA-N 344.806 2.708 0 50 EFAA CCn1cnnc1[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 328633430 LZPZHDKSOQTHOE-IAGOWNOFSA-N 330.407 2.888 0 50 EFAA CC(=O)N1CCCC[C@@H]1C(=O)NCCOc1cccc(C(C)(C)C)c1 330455763 FCLZBUXNJHXSDS-GOSISDBHSA-N 346.471 2.880 0 50 EFAA O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@@H]1CO 155921786 YODURBJCKNQUTJ-PRHODGIISA-N 338.276 2.735 0 50 EFAA O=C(O)CCN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 374407138 UBAIHNUYYRIJST-QGZVFWFLSA-N 326.396 2.509 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3ccccc3[C@H]2C(=O)O)n1 262402946 BESOVZUSKHGRRN-KSSFIOAISA-N 341.411 2.662 0 50 EFAA CC(=O)N[C@](C)(c1nc(C2(c3cnccn3)CCCC2)no1)C(C)C 904162483 FEJICNZLUZNJQH-KRWDZBQOSA-N 343.431 2.727 0 50 EFAA Cc1nc2n(n1)C[C@H](c1nc(C3(c4ccc(F)cc4)CC3)no1)CC2 818427683 IHSDQWHRWAFMNQ-GFCCVEGCSA-N 339.374 2.919 0 50 EFAA Cc1nc(C)c(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)[nH]1 929626362 JZPOWCGPCDOFQK-GOSISDBHSA-N 348.878 2.531 0 50 EFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NCCc1ccccc1 952884355 YQDLDTYGPRLCQD-INIZCTEOSA-N 333.457 2.514 0 50 EFAA CC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)C[C@@H](CC(=O)O)O1 1875283489 UNDHAIDADUQLLQ-OAHLLOKOSA-N 329.400 2.531 0 50 EFAA CC(C)c1ccccc1S(=O)(=O)NC(=O)c1ccnn1C1CCC1 1875283687 AHVVSKKJNVKEMR-UHFFFAOYSA-N 347.440 2.850 0 50 EFAA CC(C)c1nnc(C(=O)NCc2cncc(Br)c2)s1 1875282361 AIWCOQNTBFPUEY-UHFFFAOYSA-N 341.234 2.749 0 50 EFAA O=S(=O)(NCc1cccc2nsnc12)[C@@H]1C[C@@H]1c1ccccc1 1875362891 XWZLLFUEMUFVDK-UKRRQHHQSA-N 345.449 2.667 0 50 EFAA COc1cc(C)c(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C)n1 886079860 KHOANUWEGIGCBN-HNAYVOBHSA-N 344.459 2.698 0 50 EFAA COc1ccc(Cl)cc1Cc1noc([C@H]2CN(C)C[C@@H](C)O2)n1 886082525 LCCSGBRVJCBNBR-QMTHXVAHSA-N 337.807 2.714 0 50 EFAA Cn1cc(C(=O)Nc2ccc(-c3ccon3)cc2)c([C@@H]2CCOC2)n1 886956283 XIVZAWLWEZZELO-CYBMUJFWSA-N 338.367 2.831 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCC([C@H](O)c2nccn2C)CC1 892055747 VNQSMJWLAHOHHG-SFHVURJKSA-N 345.491 2.760 0 50 EFAA COCc1nccc(N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)n1 892460897 WPLVNIDYORMULF-AWEZNQCLSA-N 346.818 2.518 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)cc1 2728789 MOKADRIVOQPNTI-HNNXBMFYSA-N 326.352 2.535 0 50 EFAA COc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 18251134 CABGTKGMPVWNTL-UHFFFAOYSA-N 328.441 2.609 0 50 EFAA CO[C@H](CNC(=O)Nc1cnn2cccnc12)c1ccc(Cl)cc1 2325818664 PTPMOYIEJVRORW-CQSZACIVSA-N 345.790 2.892 0 50 EFAA NC(=O)CNc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 2325824957 XFPMENXMZXQPHQ-UHFFFAOYSA-N 341.436 2.575 0 50 EFAA CON(C1CCCC1)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C 871940992 GSDNNAFBLMEBKR-UHFFFAOYSA-N 347.820 2.841 0 50 EFAA Nc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 436097 UQIAOINDLAFVMA-FZMZJTMJSA-N 327.306 2.522 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 458615 NBFLUBRZMCHEQH-LBPRGKRZSA-N 329.352 2.888 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(Cl)cc1 2680434 OTRLUXHCUPBQBG-UHFFFAOYSA-N 329.739 2.932 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1 4487335 VWQZIOHOLLOUPT-UHFFFAOYSA-N 325.412 2.539 0 50 EFAA COc1cc2c(c(OC)c1OC)[C@H](c1cccc(O)c1)CC(=O)N2 4911652 AIDRHJHYTBDKKM-LBPRGKRZSA-N 329.352 2.892 0 50 EFAA CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(F)c1 4944472 BKADNULBQQDPSY-LLVKDONJSA-N 333.388 2.506 0 50 EFAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C[C@H]2C)cc1 6714193 VAHKKTOMJPBURV-NXHRZFHOSA-N 344.455 2.923 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1C 6730871 YMDFKKJLWAECPI-UHFFFAOYSA-N 343.379 2.980 0 50 EFAA O=C(C[C@H]1COCCN1C[C@@H](O)c1cccc(F)c1)c1ccccc1 221874306 VGURDRKSZJUONC-AZUAARDMSA-N 343.398 2.833 0 50 EFAA COCCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 8723106 GQFQLBPRVHDLBS-UHFFFAOYSA-N 328.368 2.923 0 50 EFAA O=C(Nc1cccnc1)C1CCN(C(=O)c2ccccc2F)CC1 9266203 LHRLYRURYMOGTO-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCN1CCCCO1)CC3 55393748 HRBJFIRJFLXOEE-UHFFFAOYSA-N 327.428 2.779 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)c1cn2c3c(cccc3c1=O)CC2 55568743 DKEOHVFDWCRACX-LLVKDONJSA-N 339.420 2.847 0 50 EFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)n[nH]1 102224121 GIFVMBHPPIGFSZ-ZFWWWQNUSA-N 335.411 2.741 0 50 EFAA CC(C)(C)OC(=O)N1CCCN1C(=O)c1c[nH]c2ccccc2c1=O 134327528 CRNZKMNRJKBBQM-UHFFFAOYSA-N 343.383 2.526 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc2sc(N)nc12 67605320 DYCYFWMMQWNRBD-LLVKDONJSA-N 341.440 2.930 0 50 EFAA Cc1nc[nH]c1C(=O)NCc1cccnc1N(C)Cc1ccccc1 67867430 CXXMZVPDALWQCH-UHFFFAOYSA-N 335.411 2.680 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)n1cnc2ccccc21 324637167 WFKBVSHWADGVDY-KGLIPLIRSA-N 329.400 2.701 0 50 EFAA CC[C@H]1CN(C(=O)CN2CC[C@@H](CSc3ccccc3)C2)CCO1 229351178 VWVNDMXJLAHNCG-SJORKVTESA-N 348.512 2.738 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1nnc2n1CCC2 229309558 GTXFMXPXPAHCKV-OAGGEKHMSA-N 348.491 2.660 0 50 EFAA C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCCN2CCC[C@H]2C1 252467468 MXJVREGEUWGBNV-KXBFYZLASA-N 327.472 2.672 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O 252497908 HVBNXQOTSLFWRB-IMBTUZDBSA-N 338.407 2.509 0 50 EFAA Cc1ccccc1SCC(=O)N1CCC2(CC1)CN(C)C(=O)O2 77343629 VMKPKRYIAYZKSV-UHFFFAOYSA-N 334.441 2.530 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc(OC(F)F)cc2)CC1 328588333 BXWMGMQXSUWAPE-OAHLLOKOSA-N 337.370 2.957 0 50 EFAA COCCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CCC1 229951709 ALIVLSANFLYEHX-SJORKVTESA-N 337.508 2.850 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)n(C)n1 359391428 HGMOFBDPHSRECG-LJQANCHMSA-N 342.443 2.578 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c2c(C)noc2n1 158036316 MDXWXGSFFGYMAW-JTQLQIEISA-N 327.340 2.824 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1F 155038622 JZSNVENDYWFXJX-WBVHZDCISA-N 334.435 2.710 0 50 EFAA COCC[C@@H](C)S(=O)(=O)N1CCC[C@H]1c1ccccc1OC 330923529 SQFBKZUCQCBFOQ-HIFRSBDPSA-N 327.446 2.587 0 50 EFAA CCO[C@H]1[C@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2 72143041 BCQGNRQAPIQIJS-MOPGFXCFSA-N 330.472 2.930 0 50 EFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(-c2ccncc2)n[nH]1 71730502 AJNAABRVYQFSHL-HNNXBMFYSA-N 347.422 2.823 0 50 EFAA O=C(c1cc2nccc(-c3cccs3)n2n1)N1CCSCC1 13644537 JSSKCYHHBJWFRA-UHFFFAOYSA-N 330.438 2.647 0 50 EFAA CNC(=O)c1ccc(NC(=O)CCc2ccccc2OC)c(C)c1 46594389 GKQOSIJHZYFFHO-UHFFFAOYSA-N 326.396 2.935 0 50 EFAA Cc1nc(CN2CC(=O)N(C)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 282291187 SDXZTXWCDLZXKN-NSHDSACASA-N 333.819 2.966 0 50 EFAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCCCC1 192214903 HTFHHLBZADYJLL-LJQANCHMSA-N 330.472 2.974 0 50 EFAA C[C@H](NC(=O)c1ccc(SCCO)cc1)c1nc(C2CC2)no1 222707003 MWCJYFVQIICVRH-JTQLQIEISA-N 333.413 2.522 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c2nccc(C)c2c1 241121764 JDTFKUUKSLXUKX-KBPBESRZSA-N 330.453 2.833 0 50 EFAA Cn1cc(N2CCC[C@@H](N3CCC[C@H]3c3ccsc3)C2=O)cn1 241586478 OWGDULDCJWDTQZ-JKSUJKDBSA-N 330.457 2.814 0 50 EFAA CCCN1CCC[C@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 426550063 PMIQUMBIKDTWJJ-QGZVFWFLSA-N 345.487 2.890 0 50 EFAA O=C(NC(C1CC1)C1CC1)N1CCN(c2cc(F)ccc2F)CC1 176410155 DYHPEJXFGQPEGS-UHFFFAOYSA-N 335.398 2.985 0 50 EFAA Cc1ccc2nc([C@H](NC(=O)NCC3CCNCC3)C(C)C)[nH]c2c1 426701510 XWTSMIWDWAYPJL-QGZVFWFLSA-N 343.475 2.867 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cc(C)ccc2C)C1 91605064 AOUBHKAHUSWWTQ-FQEVSTJZSA-N 347.455 2.966 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C(=O)O)c1ccccc1F 95511638 YRVOXYWZZVMBTQ-MRXNPFEDSA-N 347.390 2.796 0 50 EFAA Nc1nnc(CCn2cc(-c3cccc(-c4ccco4)c3)nn2)s1 91626000 VPGGLCUUVCHNKY-UHFFFAOYSA-N 338.396 2.882 0 50 EFAA Cc1nnc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)o1 91473862 KICSGKRRLFWNOB-UHFFFAOYSA-N 327.306 2.885 0 50 EFAA CCOCCc1nc(CC2CCN(C)CC2)nn1-c1ccc(F)cc1 96149330 DFTADNDXBDDDCS-UHFFFAOYSA-N 346.450 2.870 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@H](c3ccc(F)cc3)N(C)C)nc2c1 95370604 NJQLFSRVGPHOOJ-SFHVURJKSA-N 340.402 2.701 0 50 EFAA CCCc1cc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)n[nH]1 95375298 QPAMKFIIVXNDHZ-OAHLLOKOSA-N 344.459 2.826 0 50 EFAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1COC2(CCCCC2)C1 244626794 FSWIDNRJHQACHP-HNNXBMFYSA-N 331.412 2.956 0 50 EFAA COC[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)C1 252501284 UDLWWOGGUZKUBV-GFCCVEGCSA-N 326.824 2.646 0 50 EFAA COc1cnc(CN(C)Cc2cnn(-c3cccc(C)c3)c2)cc1O 252490748 LACRARSGUSTWJZ-UHFFFAOYSA-N 338.411 2.922 0 50 EFAA O=C(Nc1ccc(O)nn1)c1cc(Br)ccc1Cl 184748227 CUVBOILKSVNUQP-UHFFFAOYSA-N 328.553 2.850 0 50 EFAA CC[C@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 534592709 WUGCKDJIASUGIM-KRWDZBQOSA-N 331.460 2.684 0 50 EFAA CC(C)c1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2C)no1 299786900 OEEBJBZIEBNKMW-UHFFFAOYSA-N 330.310 2.823 0 50 EFAA CCCn1nc(CC(N)=O)nc1-c1cc(C(F)(F)F)ccc1C 823033111 PDNXNKLFKQZFBE-UHFFFAOYSA-N 326.322 2.710 0 50 EFAA CSc1nn2c(=O)cc(CN3C[C@H]4CC(C)=CC[C@H]4C3)nc2s1 1076110378 YUJMMPLXNIUJLO-NWDGAFQWSA-N 348.497 2.661 0 50 EFAA Cn1nccc1C1(O)CCN(c2ncnc3c2oc2ccccc23)CC1 1348290936 AEHDNYSFEGPJPW-UHFFFAOYSA-N 349.394 2.598 0 50 EFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)NCCc1ccccc1 952979243 VSTNYULZUGIASJ-UHFFFAOYSA-N 337.383 2.516 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)CCc3ccsc3)CCO2)o1 275347481 LJCQYBDMEGDETO-CYBMUJFWSA-N 335.429 2.787 0 50 EFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 275829446 WRAWHMMUMMFRPT-ZDUSSCGKSA-N 346.456 2.566 0 50 EFAA O=C(CSc1ccc2c(c1)CCC2)NCc1nc(C(=O)O)cs1 170000612 GVEQFYFOHNFIKQ-UHFFFAOYSA-N 348.449 2.739 0 50 EFAA CN1C(=O)C[C@H](NC2CCSCC2)[C@@H]1c1ccc(F)c(F)c1 170062728 ITFHOGIVNMDMPP-HOCLYGCPSA-N 326.412 2.722 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H](C)N1C 170597498 NSOBVUVIICFUSG-NXEZZACHSA-N 329.213 2.753 0 50 EFAA Cc1cc(C)c2c(c1)[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)CCO2 170621699 MFIYNYCPVOBFJT-NVXWUHKLSA-N 331.460 2.863 0 50 EFAA Cc1cc(C(=O)N2CCN(C(=O)N[C@@H]3C[C@H]3C3CCC3)CC2)c(C)o1 644976848 ALQCBCSPKNBURZ-DLBZAZTESA-N 345.443 2.552 0 50 EFAA COc1ccccc1-c1ncc(CN2[C@@H](C)CC[C@H]2C(=O)O)cn1 650796208 NWGWJJYELJFCNZ-WFASDCNBSA-N 327.384 2.590 0 50 EFAA CCO[C@H]1C[C@](NC(=O)c2cc3cccc(F)c3o2)(C(=O)O)C1(C)C 685024395 VTSNAIJFRQMYFE-UGSOOPFHSA-N 349.358 2.960 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 656847581 IHUNULHEWSGRGP-DAZKTRTLSA-N 338.162 2.799 0 50 EFAA O=C(NCc1ccc2nc[nH]c2c1)c1cc(O)cc(OCC2CC2)c1 1772708431 CAMCQXKGMOEECK-UHFFFAOYSA-N 337.379 2.987 0 50 EFAA CC(C)CC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 11932723 USEBMVKVOOMPNI-CQSZACIVSA-N 328.416 2.959 0 50 EFAA CN(C(=O)c1cnccn1)[C@H]1CCCN(CCCc2ccccc2)C1 12001825 VGOVHWCLKVQXLW-SFHVURJKSA-N 338.455 2.646 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)no1 12576474 BAEUMCFXMFGRMV-MRXNPFEDSA-N 349.390 2.667 0 50 EFAA COC[C@@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 12701943 HOMMJOXGFAZTOC-GFCCVEGCSA-N 334.347 2.501 0 50 EFAA CCCCC12CN3CC(C)(CN(C1)C3c1ccc(O)c(OC)c1)C2=O 19320107 YJMKURDDKONLDF-UHFFFAOYSA-N 344.455 2.796 0 50 EFAA biogenic COc1ccc(OC)c(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)c1 4386091 ZKIWOWFWYCHMFR-ONEGZZNKSA-N 326.274 2.976 0 50 EFAA C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)[S@@]1=O 1857532180 CJQVHLSAALDSCJ-VXESJHSGSA-N 334.466 2.792 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]1C[C@@H]1c1ccccc1 114345604 MAAJYRUKPSXDDR-CVEARBPZSA-N 334.379 2.894 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 331632538 PTOCGRCCWYXVAL-LRDDRELGSA-N 335.354 2.690 0 50 EFAA CC(C)c1nc(C(=O)NC2(C)CCOCC2)nn1-c1cccc(F)c1 130950743 IGCPQKDMVXHYCE-UHFFFAOYSA-N 346.406 2.829 0 50 EFAA O=C(Nc1cccc(F)c1)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)c1 362492572 NJARBQJMBSAXHD-GJZGRUSLSA-N 342.326 2.737 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCN[C@@H](c2cccnc2)C1 374379351 VZMORGADXNMKFA-OAHLLOKOSA-N 337.757 2.800 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)CCc3ccco3)C2)no1 264064711 BLFQUMUTSZYYQN-HIFRSBDPSA-N 346.431 2.956 0 50 EFAA COc1ccc(-c2cc(CN3CCC4(CCNCC4)C3)on2)cc1 852745962 BBTKQWIVTPMUGM-UHFFFAOYSA-N 327.428 2.926 0 50 EFAA Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2CC(N)=O)c1 127331054 IVNWBAFANZJAHY-ZDUSSCGKSA-N 339.233 2.628 0 50 EFAA CCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1c(C)noc1C 1875280163 XVHXYFKDVWLJPR-UHFFFAOYSA-N 326.422 2.606 0 50 EFAA Cc1cccc([C@H](CNC(=O)N2CCCC23CC3)N2CCOCC2)c1 1875288861 HKRYSWLRJBUWGD-SFHVURJKSA-N 343.471 2.706 0 50 EFAA CC1CCN(c2cccc(N[C@@H](C)CS(=O)(=O)N(C)C)c2)CC1 1875285632 UMZCWRXHLKWLLZ-HNNXBMFYSA-N 339.505 2.615 0 50 EFAA CC(C)c1cnn(C)c1CN1CC[C@](C(=O)O)(c2ccccc2)C1 1875283286 MLXMDIPNVCGIHC-LJQANCHMSA-N 327.428 2.772 0 50 EFAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCN(C)C)[C@H](C)C1 1875342226 FMGQYPYDLVPCLC-ZIFCJYIRSA-N 331.504 2.916 0 50 EFAA Cc1noc(C)c1C(C)(C)NC(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1875403894 JMQAXQREJGILMN-SKDRFNHKSA-N 346.431 2.712 0 50 EFAA CC(=O)N1CCN(CCN[C@@H](C)C[C@H](C)SC2CCCC2)CC1 888099142 VZCMYCSPNGTHPQ-HOTGVXAUSA-N 341.565 2.583 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1C[C@]23CCCC[C@@]2(CN(C)C3)C1 1775254324 VRYVASRKHBXNAI-HMXCVIKNSA-N 344.499 2.543 0 50 EFAA CC(=O)NC[C@H](CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(C)C 2325750380 SSOIMNOHGGVFCF-AWEZNQCLSA-N 336.480 2.845 0 50 EFAA CC1(C)C[C@H](NC(=O)c2cc3c[nH]cnc-3n2)CN1Cc1ccccc1 2325786638 LEOMSMZSBPTKHT-INIZCTEOSA-N 349.438 2.692 0 50 EFAA COc1c(CN2CC[C@@](N)(c3ccccc3)C2)cnn1-c1ccccc1 2325788188 RRNLJAGLCMTOHR-NRFANRHFSA-N 348.450 2.941 0 50 EFAA CCc1cc2c(=O)n(NC(=O)c3ccoc3C)c(=S)[nH]c2s1 17070630 SZFWTZLOUCEWSR-UHFFFAOYSA-N 335.410 2.968 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc(C)ccc2OC)C1 254513 MXBRIHIXJIKSHK-HNNXBMFYSA-N 348.443 2.607 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 1055821 JGWOXBVOXPSRAC-UHFFFAOYSA-N 334.397 2.625 0 50 EFAA Cc1ccc(N([C@@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1 1078958 GWPBKRIVCFJXCH-HNNXBMFYSA-N 338.473 2.552 0 50 EFAA Cn1cnc2cc(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)ccc21 2356138926 SJMNIMKRIOQGOS-VQIMIIECSA-N 335.407 2.564 0 50 EFAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356161304 OZZFTLGSJGTHSI-LJQANCHMSA-N 340.427 2.754 0 50 EFAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356162660 OCXFVLKKUAVSSS-FQEVSTJZSA-N 347.422 2.716 0 50 EFAA O=C(N[C@H]1CCS(=O)(=O)C1)c1sc2cc(F)ccc2c1Cl 4276593 RXMUVZSHZSJGRG-QMMMGPOBSA-N 347.820 2.611 0 50 EFAA COc1ccc(C2(CNC(=O)c3ccccc3N)CCOCC2)cc1 4839516 YANVRVYIEHJGRU-UHFFFAOYSA-N 340.423 2.756 0 50 EFAA C[C@@H]1C[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)CS1 412616359 YBKLOTOFEAUVSE-NEPJUHHUSA-N 339.482 2.950 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-n4ccnc4)cc3C)[C@@H]2C1 225399825 AHJNUOJXALZZPR-AQNXPRMDSA-N 341.455 2.949 0 50 EFAA C[C@H]1CN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CCN1 420332644 GRXIZDQMRIOUSJ-KRWDZBQOSA-N 337.467 2.528 0 50 EFAA CN(c1cccc(C(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O 65362268 GPUIVVVIRBAHMD-UHFFFAOYSA-N 338.816 2.988 0 50 EFAA COC(=O)c1cccc(CN2CCN(c3ccccc3C)C[C@H]2C)n1 67847088 GZBSQNUEYPISKT-MRXNPFEDSA-N 339.439 2.887 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(c2ccc(-c3ccccc3)nn2)C1 67974214 YGPKYLDFGAQLGD-LJQANCHMSA-N 341.411 2.851 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)CC(=O)Nc1ccc(C)cc1 65373599 UEKPYFAVCBSFMO-UHFFFAOYSA-N 341.411 2.660 0 50 EFAA CC[C@]1(CO)CCCN(Cc2cc3ccc(OC)cc3[nH]c2=O)C1 67910180 JWWUULVIEJPPHX-IBGZPJMESA-N 330.428 2.521 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c(OC)c1 348264641 UUBAQWXKHZFFKU-WMLDXEAASA-N 345.370 2.791 0 50 EFAA O=C(Cc1cccc(F)c1F)NC[C@H]1CCN(Cc2ccco2)C1 67458231 ZXSKSDGSPLQMEL-CYBMUJFWSA-N 334.366 2.739 0 50 EFAA O=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1ccncc1 67514365 CJUMTCLQXLZSJY-OUGHUQCRSA-N 325.412 2.830 0 50 EFAA COc1ccc(CN(C)c2cc(C3CCNCC3)nc(C)n2)cc1O 67515252 QYLVZTZVTFPYPE-UHFFFAOYSA-N 342.443 2.603 0 50 EFAA Brc1cnccc1-c1nc(-c2cnc3cnccn23)no1 350941590 UPOREWINHHDABO-UHFFFAOYSA-N 343.144 2.604 0 50 EFAA COc1ccc(NC(=O)C[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 252486964 PVUBSHYYBFWXOT-UONJOCPKSA-N 344.455 2.960 0 50 EFAA Cc1cc(CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)s1 252443179 PLZHYDSXJHIKIK-HOTGVXAUSA-N 343.514 2.533 0 50 EFAA Cn1ccc([C@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)n1 77525240 HWSSLDWELNCVHF-GOSISDBHSA-N 335.411 2.973 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCCN(Cc3cccnc3)CC2)s1 77459718 CUFZAAXBWREKPI-UHFFFAOYSA-N 343.452 2.694 0 50 EFAA CCc1ccc(/C=C/C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)o1 127882691 YKGJUUHGFCEQNU-ZYRHBWTNSA-N 342.439 2.857 0 50 EFAA O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1CCc1cccc(O)c1 77471577 HCEDSKJVRNKUGR-MRXNPFEDSA-N 326.396 2.708 0 50 EFAA c1ccc2c(c1)CC[C@H](N1CCN(c3ncnc4[nH]ccc34)CC1)C2 77320691 HRUGNDUAIBODAO-KRWDZBQOSA-N 333.439 2.637 0 50 EFAA CC(=O)N1Cc2ccc(NC(=O)Nc3ccnn3C(C)C)cc2C1 363040717 BICGZKSVXVLQSN-UHFFFAOYSA-N 327.388 2.970 0 50 EFAA Cc1csc(CN2C(=O)N[C@]3(CCc4cc(Cl)ccc43)C2=O)n1 151798354 GEXQQTZSIFMJBI-INIZCTEOSA-N 347.827 2.998 0 50 EFAA COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@](C)(OC)CC1 279858627 CUBFPWAGKTWHSY-LJQANCHMSA-N 343.427 2.912 0 50 EFAA Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2c2nncn2C)C2CC2)n1 152215610 NWESDJSLWVRQJR-OLZOCXBDSA-N 346.460 2.578 0 50 EFAA CCn1cc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)ccc1=O 171053247 OGDLFHPEGYHLEX-SJLPKXTDSA-N 341.411 2.910 0 50 EFAA O=C(CSc1ccccc1)Nc1ccc(Cc2nnn[nH]2)cc1 127495942 TWIVDAKFPJXYFI-UHFFFAOYSA-N 325.397 2.521 0 50 EFAA CCn1c(NC(=O)[C@]2(C)CCN(C(C)=O)C2)nc2cc(C)ccc21 361987430 SKFNKNPFHNQXFO-GOSISDBHSA-N 328.416 2.562 0 50 EFAA N[C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1 333266247 JMRDWHJFPHOCBW-RBUKOAKNSA-N 328.456 2.534 0 50 EFAA Cc1ccncc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 456176734 RJYWNERMOGWXHV-CYBMUJFWSA-N 343.814 2.713 0 50 EFAA Cc1nnc([C@@H]2CC23CCN(C(=O)c2cc[nH]c2C2CC2)CC3)o1 375050838 KHSUSWRQJKIRRO-AWEZNQCLSA-N 326.400 2.993 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 32919931 PBGCFKXUKXYYON-GOSISDBHSA-N 343.471 2.649 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 131927799 KFTXHTQJUKCFFQ-ZDUSSCGKSA-N 345.830 2.547 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCOC[C@H]1c1ccccc1 262089769 GFWBVQHSQYHLBV-SFHVURJKSA-N 339.391 2.918 0 50 EFAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCn2cncc2C1 72156486 NBUDNBRNWDYLBW-HNNXBMFYSA-N 339.317 2.546 0 50 EFAA C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 450440036 PRJWNXBAQVRQHF-LBPRGKRZSA-N 343.431 2.633 0 50 EFAA CN(Cc1ccco1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 157316679 JAAKSXDYDUSQCN-AWEZNQCLSA-N 349.337 2.505 0 50 EFAA CCOC(=O)c1coc(N2CC[C@H](c3cc(OC)ccc3OC)C2)n1 77341470 ZUARXGXTNMNDOP-LBPRGKRZSA-N 346.383 2.862 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@H]1c1ccc(Cl)cc1 262868433 IPYKAWHMILYQJE-IBEHDNSVSA-N 349.814 2.534 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc(C)cc3O)CC2=O)cc1 82107690 LKNYXRXGNIODRX-HNNXBMFYSA-N 338.407 2.887 0 50 EFAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccc(F)cc1 240569350 GZVUOBJLBPKJAZ-WWGRRREGSA-N 341.448 2.824 0 50 EFAA Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)OC23CCCCC3)C1 82137350 TYWSOSQSPVMIHX-INIZCTEOSA-N 343.423 2.851 0 50 EFAA O=C(O)c1ccnc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 263380495 CJVFOGHEIUHGJZ-UHFFFAOYSA-N 328.343 2.766 0 50 EFAA CC(C)(C)c1ccc(C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17067269 YOOOBKPDAXPTHR-GJZGRUSLSA-N 328.412 2.804 0 50 EFAA CCCc1nc(CN(CC)c2cc([C@@H]3CCOC3)nc(C)n2)no1 426358250 GULXQELRBDXPKR-CYBMUJFWSA-N 331.420 2.651 0 50 EFAA COCCN(CC1CC1)C(=O)NCc1cnn(-c2cccc(F)c2)c1 426370720 WITKUXAAIJXLQP-UHFFFAOYSA-N 346.406 2.579 0 50 EFAA CNCc1nnc(SCc2ccc(C(F)(F)F)c(F)c2)n1C 426535932 RLQZZVLGIBIOJF-UHFFFAOYSA-N 334.342 2.985 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2n[nH]c3c2CCCCC3)n1 426383837 LRIQNLSGYBMKJZ-CQSZACIVSA-N 341.459 2.917 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1cn2ccsc2n1 97402493 PLMJLYDDBUVELB-UHFFFAOYSA-N 347.444 2.569 0 50 EFAA CSCCCNC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1 426474381 PGFAKMCUVGLTLU-UHFFFAOYSA-N 330.457 2.693 0 50 EFAA CN(CC[C@H](O)c1ccccc1)C(=O)NCC(C)(C)N1CCCC1 426475308 BIDVXWZQOLXBCL-KRWDZBQOSA-N 333.476 2.626 0 50 EFAA CCCc1nc(C)c(C(=O)NCc2nc3cc(OC)ccc3n2C)o1 293545606 QRVQKRNDCZQOGG-UHFFFAOYSA-N 342.399 2.761 0 50 EFAA CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 178607188 SUDMKSKZNADTRQ-LLVKDONJSA-N 345.848 2.692 0 50 EFAA Cc1cc(CCC(=O)NC[C@H]2CCCN2)ccc1Br 178743971 WYKGXOWXNUYXAM-CYBMUJFWSA-N 325.250 2.558 0 50 EFAA CCc1nc(CCNC(=O)COc2ccc(Cl)cc2Cl)no1 91997769 FOECBAPAZSZTJW-UHFFFAOYSA-N 344.198 2.677 0 50 EFAA Cc1cc(F)ccc1NC(=O)CN(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 244715902 LEHFPJYIMDUABB-CQSZACIVSA-N 349.450 2.651 0 50 EFAA CCc1nc(COc2ccc(C(=O)NCC3(OC)CCC3)cc2)no1 180905131 APWWQTKMZPYKJE-UHFFFAOYSA-N 345.399 2.510 0 50 EFAA Cc1cc(C)c2nc(CNC[C@H]3CC[C@H](C(N)=O)CC3)cc(O)c2c1 244673909 HXVZORKPGJAVMM-SHTZXODSSA-N 341.455 2.939 0 50 EFAA CSCC[C@H](CO)NC(=O)CCn1ccc2c(Cl)cccc21 252496023 PEIDBOHPSVOMPX-GFCCVEGCSA-N 340.876 2.915 0 50 EFAA O=C(c1c[nH]nc1C1CC1)N1CCCN(Cc2ccc(F)cc2)CC1 184221053 KHYCYLMFYGVWGO-UHFFFAOYSA-N 342.418 2.774 0 50 EFAA CC(C)(C)N1C[C@H](CNC(=O)c2cc(F)ccc2Cl)CC1=O 299785734 NIGBVKLLSHBQMP-JTQLQIEISA-N 326.799 2.856 0 50 EFAA CCN(C)C[C@@H](C)c1nc(Cc2cccc(Cl)c2)nn1CCO 828776647 DJLRSPDBNVABLQ-CYBMUJFWSA-N 336.867 2.570 0 50 EFAA CSCc1nc(CCNC(=O)N2CC(c3ccccn3)C2)cs1 824919873 WMCRIHHQEFQWFX-UHFFFAOYSA-N 348.497 2.753 0 50 EFAA Cc1ccccc1-n1nc(CC(N)=O)nc1[C@@H](C)N1CCCCCC1 826841965 FOONOKYKCBRPCO-OAHLLOKOSA-N 341.459 2.541 0 50 EFAA Cc1noc(C)c1CC(=O)Nc1cccc(N2C(=O)CC[C@H]2C)c1 827847028 UQEDBGYBZGICHO-LLVKDONJSA-N 327.384 2.988 0 50 EFAA CN(Cc1ncnn1-c1ccc(C(C)(C)C)cc1)C1CCNCC1 823666878 ZBDCWNFPIQUNCG-UHFFFAOYSA-N 327.476 2.749 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)cc1C 1073376478 WUUFQPZZEHRVLB-WBVHZDCISA-N 329.444 2.521 0 50 EFAA Cc1cc(C(=O)Nc2cc(-c3ccc(O)nn3)ccc2C)nc(C)n1 952860129 FQBJNHIFFWYFIM-UHFFFAOYSA-N 335.367 2.817 0 50 EFAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1(c2ccccc2)CCN(C)CC1 1565514977 BNYOLVLGAZUTAD-MANSERQUSA-N 342.483 2.580 0 50 EFAA COCCN(Cc1nccs1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 1565509042 XOUCFIZYWUIOSD-CABCVRRESA-N 331.441 2.857 0 50 EFAA Cn1ncc(OCCCS(=O)(=O)c2ccccc2)c1C(F)(F)F 408524940 BSPOUDBQHRXKEK-UHFFFAOYSA-N 348.346 2.682 0 50 EFAA O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N[C@@H]1C=C[C@H](CO)C1 170086501 XIPHJAMJNLTJLL-XJKSGUPXSA-N 349.862 2.545 0 50 EFAA Cc1ccc([C@H]2C[C@@H](C)N(Cc3nnnn3CC(F)(F)F)C2)cc1 278650405 MMDJTMFCJVEGAI-OCCSQVGLSA-N 339.365 2.922 0 50 EFAA C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1CC[C@](C)(O)C1 188501364 VHIXAQSQALVRAK-ABAIWWIYSA-N 346.349 2.639 0 50 EFAA COc1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cc1Br 190995470 DTXLHDZTRMWZEW-PWSUYJOCSA-N 342.233 2.889 0 50 EFAA COc1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)nn1 193504399 LXGYLJSLQIOSSL-UHFFFAOYSA-N 326.381 2.789 0 50 EFAA Cn1ncc(C(F)(F)F)c1CNc1nnc(C2CCOCC2)s1 656775121 LGOKJTHSDGIEGD-UHFFFAOYSA-N 347.366 2.797 0 50 EFAA CCCCC1CCC(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)CC1 776563841 LPPAFYRGQSFMPW-JXQTWKCFSA-N 337.493 2.813 0 50 EFAA COc1cccc(OC)c1CN1CCC2(CC1)C[C@](C)(O)CCO2 1704312022 XMQHWJOWPJLYBN-GOSISDBHSA-N 335.444 2.600 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2nc3ccc(F)cc3[nH]2)CCC1=O 1772816301 MVSJLHMHNJRECX-ZDUSSCGKSA-N 332.423 2.781 0 50 EFAA O=C(CCc1ccc(F)cc1)N1CCCN([C@H]2CCSC2)CC1 1772818602 VFVNGYSEWNMAJX-KRWDZBQOSA-N 336.476 2.798 0 50 EFAA O=C1CC[C@H](CCNCc2ccccc2F)N1CCCn1ccnc1 12151058 AAYPZJSCPUJAES-QGZVFWFLSA-N 344.434 2.583 0 50 EFAA COCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccco1 13541458 BJUZNJOKIQTVEU-UHFFFAOYSA-N 340.379 2.718 0 50 EFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1 4380936 QRJQRCHTPDMBDV-MQDFFIGUSA-N 330.384 2.833 0 50 EFAA COc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c(C)c1 1857529355 XWRHTNXHLLAMLJ-OLZOCXBDSA-N 343.427 2.689 0 50 EFAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CC=Cc1ccc(F)cc1 1857533028 UHSCULYEMJCSRV-HOTGVXAUSA-N 346.406 2.618 0 50 EFAA COc1cc(-c2nccn2-c2ccccc2CC(=O)N(C)C)ccn1 1857706534 JXRMSKTXELSPJY-UHFFFAOYSA-N 336.395 2.574 0 50 EFAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1cccc2c1OCO2 408056241 FEWVQNNBDLOGHS-KHYOSLBOSA-N 331.412 2.961 0 50 EFAA CCOC(=O)Cc1ccc(NC(=O)CCc2cnn(C)c2)c(Cl)c1 408515287 YMJAXUFNFONACS-UHFFFAOYSA-N 349.818 2.750 0 50 EFAA COCCn1ccc(C(=O)NCC2(c3c(F)cccc3F)CCC2)n1 412634189 YKGYUDKMCOQYPO-UHFFFAOYSA-N 349.381 2.659 0 50 EFAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(Br)cc1 414012840 HPWSUKVXMLBBLL-CYBMUJFWSA-N 339.233 2.578 0 50 EFAA CCc1ccccc1CC(=O)N1CCC(OC[C@H]2CCOC2)CC1 225497803 CJMSJDVOQURWES-INIZCTEOSA-N 331.456 2.836 0 50 EFAA Cc1ccccc1C1CC(N(C(=O)[C@H]2CCS(=O)(=O)C2)C2CC2)C1 329747110 ZDOKCNHBVXYOCU-UQPPLGOBSA-N 347.480 2.667 0 50 EFAA C[C@H](c1ncc(Br)cn1)N1CC[C@H](Oc2ccccn2)C1 331405530 BQBTWCMYJYNQOQ-YPMHNXCESA-N 349.232 2.848 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2F)nn1 643890142 XADZSFXTHHBDMX-MRXNPFEDSA-N 346.381 2.727 0 50 EFAA CC[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1OC 240278332 DQMQVTKRMGEXCP-PMUMKWKESA-N 348.468 2.717 0 50 EFAA C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H](C)Oc1ccccc1 252512332 PJHNABBCBJTEQL-CVYDXHPNSA-N 333.476 2.824 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC(n2ccnc2)CC1 156420538 DWBIKSXVVCJFEP-ZDUSSCGKSA-N 328.420 2.920 0 50 EFAA O=C(O)c1cccc(N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 900989900 HWGKVGZOBSWRKP-AWEZNQCLSA-N 349.394 2.949 0 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O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1ccc(O)nc1 2325866187 CRBRKNFKNIMTQH-UHFFFAOYSA-N 336.351 2.502 0 50 EFAA CN(C(=O)c1cnn(C)c1-n1cccc1)[C@@H]1CCc2ccccc2C1 889209456 KLJVJDQURWPIAX-QGZVFWFLSA-N 334.423 2.840 0 50 EFAA O=C(O)[C@@]1(C(F)(F)F)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 901785001 AXDHOASTJYQAJN-OAHLLOKOSA-N 339.317 2.916 0 50 EFAA Cc1ccccc1OC[C@@H](C)NC(=O)c1ccnn1C(F)(F)F 2332239475 BLEFRQWVXUXREL-LLVKDONJSA-N 327.306 2.865 0 50 EFAA C[C@H]1CCc2c(sc3ncn(CC(=O)N4CCCCC4)c(=O)c23)C1 132351 CZRJQBWNGFCCJR-LBPRGKRZSA-N 345.468 2.595 0 50 EFAA O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCOCC1 355676 SEAZLOUOXWDNKZ-UHFFFAOYSA-N 333.388 2.535 0 50 EFAA COc1cc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)nc2ccccc12 2356151171 VLXQWFLHKDWVNU-WDNDVIMCSA-N 326.396 2.761 0 50 EFAA O[C@@H]1CCCN(c2ccnc(Nc3ccc(-c4cn[nH]c4)cc3)n2)C1 2356169439 BSHTUZBQVSLKPX-MRXNPFEDSA-N 336.399 2.571 0 50 EFAA CCNC(=O)c1c(NC(=O)[C@@H](N)CC(C)C)sc2c1CCCC2 55052713 UCTZPWNLTAQBFH-LBPRGKRZSA-N 337.489 2.689 0 50 EFAA Fc1ccc(-c2n[nH]cc2CNCc2noc([C@@H]3CCCO3)n2)cc1 55392834 CTPPCOQLTGYQIE-AWEZNQCLSA-N 343.362 2.740 0 50 EFAA CCOC(=O)[C@](O)(CC(=O)Nc1cccc(Cl)c1)C(F)(F)F 2769657 DWEWCYDXQAJNKR-GFCCVEGCSA-N 339.697 2.525 0 50 EFAA O=c1oc2ccccc2n1CCN(C/C=C/c1ccccc1)CCO 55196658 SYPVDBOCFPGJFP-RMKNXTFCSA-N 338.407 2.602 0 50 EFAA CCc1nc(CN(C)[C@H](C(=O)O)c2ccc(OC(C)C)cc2)no1 55131171 FNUJERJURIOKRZ-INIZCTEOSA-N 333.388 2.677 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1coc(-c2ccccc2)n1 343397035 IORZWCDIMLDTNY-MAUKXSAKSA-N 338.411 2.943 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)[C@H]1CCCN1 67846771 AETFKSWMWGEBIL-OAHLLOKOSA-N 333.338 2.520 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1c(C)noc1Cl 247994613 CNIWPISNNVKYRG-UONOGXRCSA-N 325.840 2.654 0 50 EFAA C[C@H](C(N)=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67754537 KKONMJZFCAHBLW-LLVKDONJSA-N 346.814 2.781 0 50 EFAA CN(Cc1cnc2ccccc2n1)C(=O)c1cnc2ccccc2n1 20993256 AURSWDWWCQDFIA-UHFFFAOYSA-N 329.363 2.845 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 348259641 MFEDTLQPKKGHGZ-GTNSWQLSSA-N 343.333 2.789 0 50 EFAA CCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2ccccc2)[nH]n1 67804163 DPONHKZMYMFFIN-INIZCTEOSA-N 329.400 2.630 0 50 EFAA Cc1cccc(-n2ccnc2CN[C@@H]2CCCN(c3ncccn3)C2)c1 12316603 GELXFVVJIHTDSQ-QGZVFWFLSA-N 348.454 2.729 0 50 EFAA C[C@H](c1n[nH]c(=O)n1Cc1ccc(Cl)cc1Cl)n1cccn1 65408626 HYPKITHKAGWEIL-SECBINFHSA-N 338.198 2.732 0 50 EFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 205083 FMZQRXKMUFIYCN-HOTGVXAUSA-N 327.384 2.761 0 50 EFAA CC1=NN(C(=O)c2ccc(OC(F)F)cc2)[C@](O)(C(F)(F)F)C1 374187 MGUHTKLXZYHHBR-GFCCVEGCSA-N 338.232 2.761 0 50 EFAA CCc1noc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)n1 32500647 PAESXKCEWNUJDH-VIFPVBQESA-N 330.413 2.577 0 50 EFAA Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2nccc2n1 72143499 NASNBYQIKZYGLA-VMPITWQZSA-N 333.439 2.873 0 50 EFAA Cc1nnnn1CCCN1CCC[C@H](CCc2ccc(F)cc2)C1 72149088 ALTGUDYPOJIREQ-QGZVFWFLSA-N 331.439 2.856 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 72157558 JWQZELYEQRBGQF-MRXNPFEDSA-N 339.439 2.598 0 50 EFAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC[C@](O)(CO)CC1 72121601 UAUOSNRMKQJGEK-HXUWFJFHSA-N 343.398 2.842 0 50 EFAA Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(C(=O)O)s1 362536624 XTQNGWHWEDRSLV-QFIPXVFZSA-N 337.422 2.886 0 50 EFAA NC(=O)c1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 363095071 SUQHCJMAZOHAPK-GOSISDBHSA-N 331.375 2.700 0 50 EFAA CCN(C)[C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 363474079 GCHUXPDCYRTTKX-ROUUACIJSA-N 342.443 2.694 0 50 EFAA COc1cc(NC2CCN(C(=O)c3ncoc3C)CC2)cc(OC)c1 124590883 JGZBWAQDFAOLKE-UHFFFAOYSA-N 345.399 2.717 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)N3CCC(c4nc[nH]n4)CC3)c2c1 77459273 WVLMCGABRZIZHQ-UHFFFAOYSA-N 335.411 2.990 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)c(OCC2CC2)c1 375906561 TYJMYDXCMLTSGD-LJQANCHMSA-N 333.428 2.861 0 50 EFAA CCn1ncnc1CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280253924 CCIITXGDAAUHDS-SMDDNHRTSA-N 340.349 2.625 0 50 EFAA Cc1cnn(CCCN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)c1 72148863 QBRMXHVNWDMBEY-FQEVSTJZSA-N 338.455 2.592 0 50 EFAA O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2cccnc12 263049920 RYTWLEXRMQISNP-FFSVYQOJSA-N 328.343 2.699 0 50 EFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@H](c2cccc(O)c2)C1 127267773 DKUMIMIRXPATGU-RKVPGOIHSA-N 332.444 2.555 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@H](c2ccccn2)C1 496159182 IDWZNZINVFTHOZ-GOEBONIOSA-N 345.443 2.797 0 50 EFAA c1ccc(Cn2cccn2)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1 77420263 VEHLYEPJJIBDGZ-LJQANCHMSA-N 341.455 2.749 0 50 EFAA C[C@@H](CNC(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1 43305954 MTMBSZJRGXXRDY-KRWDZBQOSA-N 338.455 2.713 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1C[C@H](O)C[C@H]1c1cccc(F)c1 281713573 BAYBZDVEUKZFND-CVEARBPZSA-N 343.354 2.545 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@@H](Cn1cccn1)c1ccccc1 222693317 UHPFUBDRNGPDKG-SFHVURJKSA-N 345.406 2.791 0 50 EFAA C[C@@H](CNC(=O)N1CCCCO1)Oc1ccccc1Br 283716308 URAOUZANOQCTSI-NSHDSACASA-N 343.221 2.953 0 50 EFAA O=C1C[C@H]([C@H]2CCCCN2C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CN1 241144841 JTOGCYCYCONMDV-QUSNUVHPSA-N 333.476 2.513 0 50 EFAA Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2nc3ccccc3s2)c1 131699827 LZIOWXWDZKVSMF-UHFFFAOYSA-N 347.421 2.504 0 50 EFAA N[C@@H]1CCCCN(c2nnnn2-c2ccc(-c3ccccc3)cc2)C1 82083775 BYAGKQVMHRKOPA-QGZVFWFLSA-N 334.427 2.647 0 50 EFAA CN(C)c1ccccc1-c1ccc([C@H](O)CN2CCOCC2)cc1 426419905 DOMFOBLTENNVCJ-HXUWFJFHSA-N 326.440 2.785 0 50 EFAA O=C(Nc1cccc(CN2CCCC2)c1)[C@H]1Cc2ccccc2CN1 326666649 KYXBBJDNTHARFD-HXUWFJFHSA-N 335.451 2.935 0 50 EFAA C[C@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(O)c1 175929997 BVSHWYXHYDIEIO-ZDUSSCGKSA-N 337.383 2.915 0 50 EFAA COCCc1nc(CN[C@H](C)c2cccc(OC(F)F)c2)no1 289376922 PBODGNDSKVLMRQ-SNVBAGLBSA-N 327.331 2.711 0 50 EFAA O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cn(CCc2ccccc2)nn1 576547183 RGTXSQFZAIRLTQ-MSOLQXFVSA-N 332.407 2.807 0 50 EFAA CC[C@@H](C(=O)NCCSc1nc2ccccc2o1)n1cccn1 91381360 HCRHNRLRPJZMCP-ZDUSSCGKSA-N 330.413 2.884 0 50 EFAA COc1ccc(C(=O)N2CC(Oc3c(C)cccc3C)C2)cc1O 95360936 DHEYJAJWSMETBT-UHFFFAOYSA-N 327.380 2.921 0 50 EFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCNC1 179052351 MMZSAEWAUXAESX-RAIGVLPGSA-N 328.334 2.509 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)C1CCN(Cc2ccco2)CC1 95381123 JBLLFZZKNHYTHF-KRWDZBQOSA-N 334.460 2.909 0 50 EFAA Cc1ccc(F)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95507236 PEHNSWIQTZKHGT-YLJYHZDGSA-N 341.382 2.745 0 50 EFAA O=C(Cc1ncccc1F)N[C@H]1c2ccccc2CC12CCOCC2 292167501 WWMCUNIAOFKOLX-IBGZPJMESA-N 340.398 2.974 0 50 EFAA C#CCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC 216047587 MGDXBMLGJRQJNX-YRNVUSSQSA-N 339.825 2.849 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C1CCN(Cc2ccco2)CC1 95356538 YWGIJHMCHWNPET-CYBMUJFWSA-N 344.459 2.719 0 50 EFAA Cc1ccsc1[C@@H](CNC(=O)CCc1n[nH]c(C)c1C)N(C)C 97259274 JAXUXLNAQFQQDE-OAHLLOKOSA-N 334.489 2.748 0 50 EFAA COc1cccc(OC)c1-c1ccc(CN2CCN(C)CC2)cn1 97766394 WPXSISDSVKXXPJ-UHFFFAOYSA-N 327.428 2.513 0 50 EFAA CN(C)[C@@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1F 95391175 BFMFUFBTDJVUEN-GOSISDBHSA-N 340.402 2.632 0 50 EFAA Cc1cccc(CN2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)c1 91713039 RJNZPPJLCFSTHC-NRFANRHFSA-N 342.483 2.989 0 50 EFAA Cc1cccc(NC(=O)[C@H](C)N2CCCN(C(=O)C3CCC3)CC2)c1 244840277 UKHTYUIOAUGIBX-INIZCTEOSA-N 343.471 2.656 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CCO1 180428954 IZYQUEZEJIWZNV-ARFHVFGLSA-N 332.444 2.595 0 50 EFAA COCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 298146047 WNQOEUJABMPJSR-UHFFFAOYSA-N 334.807 2.910 0 50 EFAA CCOC[C@H]1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)C1 295382915 SNLYPDXVMOBZOH-ZDUSSCGKSA-N 333.432 2.565 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCO[C@H](Cc3ccccc3)C2)c1 181552950 LUSHKUDXVUBPBO-HXUWFJFHSA-N 338.451 2.832 0 50 EFAA O=C(NCCNC(=O)c1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 534581807 DCGHGNKRUOAMTB-YWPYICTPSA-N 335.835 2.558 0 50 EFAA Cc1cccc(OC2CN(C(=O)N[C@H](c3nccn3C)C3CC3)C2)c1 534649204 NGVDWNUTMHXSJS-KRWDZBQOSA-N 340.427 2.652 0 50 EFAA O=C(COC[C@H]1CCCO1)NCc1c[nH]nc1-c1ccc(Cl)cc1 299781818 UXFKHFKFYRSZPM-OAHLLOKOSA-N 349.818 2.542 0 50 EFAA COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](N)C2)cn1 299771914 XUCBKHQIOHZJFW-ZDUSSCGKSA-N 342.399 2.838 0 50 EFAA O=C(CCCn1cncn1)N(Cc1ccccn1)C1CCCCC1 827875335 VINQQEWYOBTPMF-UHFFFAOYSA-N 327.432 2.815 0 50 EFAA Nc1nc(N2CCC[C@@H](c3ccc(Cl)cc3)C2)cc2nncn12 825534491 SGWLLDJLRUXJLP-GFCCVEGCSA-N 328.807 2.744 0 50 EFAA Cc1ccc(C2=NN[C@@H](c3ccc(OCC(N)=O)cc3)S2)cc1 670427349 IMDYEMPPGGEGEP-QGZVFWFLSA-N 327.409 2.556 0 50 EFAA COC[C@@H](C)N(Cc1ccccc1C)C(=O)c1ccc(C(N)=O)cc1 952860181 HIQSVECUXYWNOQ-OAHLLOKOSA-N 340.423 2.771 0 50 EFAA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3[nH]ncc23)C1 301767277 BWEUKOBPYCNLTP-WCQYABFASA-N 349.316 2.684 0 50 EFAA CCCN(C)C[C@@H]1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 271284811 LHCGSJQQCAMCSC-GJZGRUSLSA-N 328.460 2.798 0 50 EFAA O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)s1 271514855 LXXKADDSYJDGQA-NEPJUHHUSA-N 325.817 2.616 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)NC1(CF)CCOCC1 408520340 VZXQCHWXDBJKOU-UHFFFAOYSA-N 334.416 2.988 0 50 EFAA Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CCC1 408522399 ILXBCKSFHDRYOP-UHFFFAOYSA-N 337.540 2.977 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)C2=CCCCCC2)nn1 276311012 MHVJWCCDCDPLOU-JKSUJKDBSA-N 346.475 2.996 0 50 EFAA CC(C)c1nc(/C=C/c2cnc(N3CCCC3)nc2)ncc1C(=O)O 169989268 LUWPEJFHWKZDPO-AATRIKPKSA-N 339.399 2.859 0 50 EFAA O=C(C[C@H]1COC(=O)C1)Nc1cc(F)cc(Br)c1F 278394246 FFJWSWSQIIHQKC-ZCFIWIBFSA-N 334.116 2.619 0 50 EFAA Cc1ccc(F)c(CNc2cccc(C(=O)N3CCC[C@@H]3CO)n2)c1 170608168 HLRKAIXBVSCKPP-OAHLLOKOSA-N 343.402 2.738 0 50 EFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)c1C 170626461 SEBLXQPBQUZVKX-OCCSQVGLSA-N 348.349 2.982 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 663063978 JAWBNKNLVPWETR-IBGZPJMESA-N 349.427 2.670 0 50 EFAA COc1cccc(N2CCC[C@@H](NC(=O)c3ncc(F)cc3F)C2)c1 192325058 MXCLJOBFHMAPCQ-CYBMUJFWSA-N 347.365 2.767 0 50 EFAA Cc1cccc(C)c1CCNC(=O)[C@@H]1COCCN1C1CCCC1 193579471 RUJAKXNIGZLXEQ-IBGZPJMESA-N 330.472 2.606 0 50 EFAA Cc1ccc(N(C)C(C)C)c(C(=O)N2CCO[C@@H](C(F)F)C2)c1 194217117 QHRNPFJMHIQSKF-OAHLLOKOSA-N 326.387 2.946 0 50 EFAA 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2.866 0 50 EFAA CCC(CC)N1C[C@H](C(=O)N[C@H]2COc3ccc(C)cc32)CC1=O 156117777 UIUOFSLEFKYUBD-CJNGLKHVSA-N 330.428 2.582 0 50 EFAA Nc1nc(CCC(=O)N2CCC(OCc3ccccc3)CC2)cs1 72475798 PLKKKKXIPJKGNT-UHFFFAOYSA-N 345.468 2.866 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)n[nH]1 369253823 SULRCDBOUBNNGQ-OAHLLOKOSA-N 337.427 2.549 0 50 EFAA COCCc1ncc(CN2CCC[C@@H](C(=O)c3ccccc3)C2)cn1 72454034 QEAGWDRRHLWDKK-GOSISDBHSA-N 339.439 2.760 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)C1 373439701 DGYGQMXJOWPJDA-KRWDZBQOSA-N 337.423 2.792 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)c3ccnn3CC)C2)CCC1=O 77354130 KIYFAALNBQSKAM-LJQANCHMSA-N 346.475 2.548 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 241588484 PDOOLWJMFILIML-CVEARBPZSA-N 345.393 2.696 0 50 EFAA CSc1ccc(CN2CCN(C(=O)C3CCC(O)CC3)CC2)cc1 242167665 WYMRIBSBOHJXCI-UHFFFAOYSA-N 348.512 2.604 0 50 EFAA C[C@]1(CO)CCCN(C[C@H]2CO[C@H](c3ccc(Cl)cc3)O2)C1 242191393 XFDRPOWRLFMTRS-ULQDDVLXSA-N 325.836 2.848 0 50 EFAA 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CC1=C(C)[C@@]2(C)[C@@H]1[C@H]1C=C[C@@]2(C)n2c(=O)n(-c3ccccc3)c(=O)n21 253595451 DPADCLWKGALTIV-GJJHYRHESA-N 335.407 2.613 0 50 EFAA c1ccc(NC[C@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)nc1 181362633 IDALPKYQJVEACI-CQSZACIVSA-N 338.459 2.819 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 299744798 PYVNRRSSBNRENR-KSZLIROESA-N 339.366 2.967 0 50 EFAA CCn1cc(CN(CCOC)C(=O)NCc2ccc(C)cc2C)cn1 534663405 MYHVJUNCZLWMCX-UHFFFAOYSA-N 344.459 2.878 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccnn2-c2ccccc2)C1 299792067 FCBZVEAPXHTZTI-OAHLLOKOSA-N 339.443 2.963 0 50 EFAA CC(C)c1noc([C@H](C)NC(=O)c2cc3c(nc2O)CCCC3)n1 822280910 GRTFKWMCUZQJFQ-JTQLQIEISA-N 330.388 2.663 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)C(=O)N(C)C 584886194 PYNSCJZLQAXOGU-ZDUSSCGKSA-N 345.365 2.714 0 50 EFAA CCc1nc(CN2CCC[C@@H](c3nc4ccccc4n3C)C2)no1 670469744 JDOVJSNIQYMTSC-CYBMUJFWSA-N 325.416 2.898 0 50 EFAA Cc1ccc([C@@H](CNC(=O)CCCN2CCCCC2=O)N(C)C)cc1 952975885 XWUGTGPPPOMGHW-GOSISDBHSA-N 345.487 2.507 0 50 EFAA O=C(Cc1cccc(F)c1)N[C@@H]1CCCCN(C(=O)N2CCCC2)C1 82156256 CESQBBMOPOQXCP-QGZVFWFLSA-N 347.434 2.555 0 50 EFAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCC(c2nnc3n2CCCCC3)CC1 1565514409 FLAUADCVFZLGGC-UAGQMJEPSA-N 340.471 2.923 0 50 EFAA c1ccc(Cc2nccc(N3CCC(Nc4cccnn4)CC3)n2)cc1 166393431 QHNZYMLFIZNJNW-UHFFFAOYSA-N 346.438 2.938 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2oc3c(C)cccc3c2C)n1 275373056 OCOHDSYNEILWTG-TZMCWYRMSA-N 341.367 2.689 0 50 EFAA Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@@H]2CCN(C)[C@H](C)C2)c1 170594618 RBJIOGUTIAUOBP-BZUAXINKSA-N 340.895 2.803 0 50 EFAA C[C@H]1COCCN1CCSc1nnc(C2CC2)n1-c1ccccc1 170605521 DSHFFIPZFVJDJV-AWEZNQCLSA-N 344.484 2.958 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCC[C@H](c2cn[nH]c2)C1 170647700 YVICKZNRULBYMK-NSHDSACASA-N 328.397 2.859 0 50 EFAA Cc1cccc(N2CCN(C(=O)NCc3nccn3C(F)F)CC2)c1 170692697 ZSVMLLXUHPXLMY-UHFFFAOYSA-N 349.385 2.618 0 50 EFAA CC[C@H](NC(=O)NCc1cc2c(nc1O)CCC2)c1c(C)noc1C 677476614 WVUAFNSRWQNCLX-AWEZNQCLSA-N 344.415 2.831 0 50 EFAA C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 194715628 IBJJLHFDLBGPBH-CWRNSKLLSA-N 340.423 2.767 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)o1 666765327 HDKBCSNSRUWONS-JZYAIQKZSA-N 330.428 2.714 0 50 EFAA CCc1nc(C)c(NC(=O)NC(C)(C)c2nnc3n2CCCC3)s1 652993128 SFKJFVKVVHVCDO-UHFFFAOYSA-N 348.476 2.999 0 50 EFAA COc1cccnc1CC(=O)N[C@H]1CCCOc2cc(F)ccc21 684835004 OSQHYQPIEXIIGK-AWEZNQCLSA-N 330.359 2.802 0 50 EFAA C[C@H]1CN(C2CCN([C@@H]3CCN(c4ccccc4)C3)CC2)C[C@@H](C)O1 1506421254 NUELCJHTNQANCV-LVCYWYKZSA-N 343.515 2.839 0 50 EFAA O=C(c1csc2c1CCCC2)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529144079 HNTZJEXXYJSANA-CXAGYDPISA-N 342.464 2.698 0 50 EFAA O=C(CCNc1ncccc1C(=O)N1CCCC1)NC1CCCCC1 1704277899 JZKQIFOVKIWSSN-UHFFFAOYSA-N 344.459 2.569 0 50 EFAA O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 19782453 WWNGBTPOBHQWOV-INIZCTEOSA-N 346.789 2.943 0 50 EFAA COc1cccc(CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1 19145981 IHDRPHXEVRRZHO-IBGZPJMESA-N 335.407 2.992 0 50 EFAA Cn1c(=O)c(-c2nccn2CC[C@H]2CCCCN2)cc2ccccc21 1857689458 QENRLKVJRFWUQK-MRXNPFEDSA-N 336.439 2.934 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCc2cc(O)no2)C[C@@H](c2ccccc2)O1 1875241702 YFBXFRNZFRSCLZ-SJORKVTESA-N 344.411 2.938 0 50 EFAA CCCC[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 408519812 IEXZUXOEOMIROS-AVGNSLFASA-N 334.382 2.682 0 50 EFAA O=C(NCC1(c2cccc(Cl)c2F)CCCC1)[C@@]1(O)CCOC1 413750285 AFWAVLKDXNIJEN-QGZVFWFLSA-N 341.810 2.559 0 50 EFAA C[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 225571288 NQUJIBFSHIZXMR-LPHOPBHVSA-N 345.487 2.585 0 50 EFAA Cc1cccc(S(=O)(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1F 313222363 WPEIGDQYQJNRAA-GFCCVEGCSA-N 349.383 2.901 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2nc3c(s2)CCC3)cn1 328656624 ZMPXJZVYMFZFJG-DYVFJYSZSA-N 345.472 2.798 0 50 EFAA O=C(O)c1cc(Cl)cc(NC(=O)c2ccc(-n3cccn3)nc2)c1 740072848 SJQBZIVIDCACSS-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA COc1ccccc1N1CCC(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CC1 248145045 RYGHOKOOYWADRF-SJORKVTESA-N 344.455 2.707 0 50 EFAA COc1ccc(CN2C(=O)O[C@H]3CN(CC=C(C)C)C[C@H]32)cc1OC 248249658 IKBIPFNXYLWFPB-QAPCUYQASA-N 346.427 2.675 0 50 EFAA CCO[C@@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 253429060 AYDPQAFGJIJIAY-JTQLQIEISA-N 331.338 2.626 0 50 EFAA O=C(O)CN(Cc1ccccc1)C(=O)c1cccc([C@@H]2CCOC2)c1 263357057 SCYWGTIMZJVBEN-GOSISDBHSA-N 339.391 2.918 0 50 EFAA Cc1nc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)no1 902990950 SOJPVNPOEWQXPX-OAHLLOKOSA-N 329.400 2.792 0 50 EFAA O=C(N[C@@H](C(=O)O)C1CCCCC1)c1ccc(-c2cc[nH]n2)s1 910088526 HRDWLXJRRKDRLQ-CQSZACIVSA-N 333.413 2.902 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)NCc2cccc3c2OCCO3)cn1 930978027 NURRVKHCXGRSSJ-GFCCVEGCSA-N 342.399 2.947 0 50 EFAA O=C1CCCN1C[C@H]1CCCCN1C(=O)c1ccc2scnc2c1 932524684 NZJCQZQGCLPHHQ-CQSZACIVSA-N 343.452 2.913 0 50 EFAA Cc1nn(C)c(Cl)c1-c1noc([C@@H](C)NC(=O)c2ccoc2)n1 952881894 DSBHYWLBVITVTE-MRVPVSSYSA-N 335.751 2.516 0 50 EFAA Cc1cc(C)nc(NC(=O)CCc2ccc3c(c2)NC(=O)CO3)c1 1875274291 FFYWEIOBHQBAGL-UHFFFAOYSA-N 325.368 2.601 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cnn(CC(F)(F)F)c2)Cc2ccccc21 1875270527 HXMBKTDFYAVALE-CQSZACIVSA-N 339.317 2.629 0 50 EFAA O=C(NS(=O)(=O)[C@@H]1CCOC1)c1csc(C2CCCCC2)c1 1875283743 DHKDMFMVPCGRQF-CYBMUJFWSA-N 343.470 2.644 0 50 EFAA c1ccc(-c2nc3ccccc3c(=N[C@H]3COC[C@H]3C3CC3)[nH]2)nc1 1875361282 WHYJKEFCPOYYNY-YJBOKZPZSA-N 332.407 2.951 0 50 EFAA C[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H]3CN(c4ncncc4Cl)C[C@@H]3C2)C1 1875338905 PUNZWLWUABLLDX-ZSAUSMIDSA-N 348.878 2.897 0 50 EFAA CC(C)(C(=O)O)[C@@H](NC(=O)c1cc(O)nc2ccccc12)C1CC1 1875312729 RWJSAPIOPBPNMB-HNNXBMFYSA-N 328.368 2.560 0 50 EFAA Cc1cc(=N[C@@H]2CC[C@H](O)[C@H](C)C2)[nH]c(N(C)c2ccccc2)n1 1875360694 GIGPOXFVVGCXHL-UNEWFSDZSA-N 326.444 2.936 0 50 EFAA CCOC(=O)c1ccnnc1N1CCc2ccc(OC)cc2[C@@H](C)C1 1875327522 YDXDAEMSKHKGNU-ZDUSSCGKSA-N 341.411 2.828 0 50 EFAA O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cc(OCC(F)F)ccn1 886708518 VFJULRUDACINJE-WBVHZDCISA-N 348.349 2.504 0 50 EFAA COCc1nc(C)c(C(=O)OCc2cc(C(F)(F)F)no2)s1 888093036 DBBKTRZSVTZVNN-UHFFFAOYSA-N 336.291 2.962 0 50 EFAA O=C1NCC2(CCN(c3ncc(Cl)s3)CC2)Oc2ccccc21 895578860 DHXGKFDMSPULFO-UHFFFAOYSA-N 349.843 2.958 0 50 EFAA O=C(O)C1CC2(C1)C[C@@H](NCc1cccc(Cl)c1F)CCO2 1774205212 ZJMBGUFCKDZFMQ-BGMSHATGSA-N 327.783 2.981 0 50 EFAA Cc1ccnc2c(NCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cccc12 100088179 ZYRMKHIZHFILFG-PYTWLRIVSA-N 333.391 2.720 0 50 EFAA COC(=O)c1occc1Cn1cc(-c2csc(C3CC3)n2)nn1 2325770578 CIAHLWPSYWXUAM-UHFFFAOYSA-N 330.369 2.707 0 50 EFAA Cc1cc([C@@H](NC(=O)c2cnn3c2CCC[C@H]3C)C(=O)O)ccc1F 2325793525 YULQBWDDYHVBHA-BDJLRTHQSA-N 345.374 2.784 0 50 EFAA CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)O)cc1 98530 KRTNWLZOTMCHBF-CQSZACIVSA-N 340.379 2.737 0 50 EFAA biogenic CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1461172 VZFJMXZNILLZSU-ZDUSSCGKSA-N 325.320 2.815 0 50 EFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Cl 4156247 HSFUBVPWXKBRKW-CYBMUJFWSA-N 340.832 2.874 0 50 EFAA CC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 6706606 NNVCGTPHDGGWDD-UHFFFAOYSA-N 326.324 2.724 0 50 EFAA CCO[C@@H]1C[C@](CO)(NC(=O)[C@H](C)c2c(F)cccc2F)C1(C)C 249337267 ILGOVGDORRPNTA-YRILPIOLSA-N 341.398 2.751 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2nc3ccccc3n2C)c1 225728020 GZXAINUKKRGPEY-BEFAXECRSA-N 337.423 2.890 0 50 EFAA Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)n2ncnc2n1 225851008 DZKBZYSNAUWALV-JTQLQIEISA-N 330.779 2.969 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCc2ncnn2C1 112744007 CBASMBYNYHDOCC-OCCSQVGLSA-N 343.431 2.507 0 50 EFAA O=C1C[C@H](NCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 100632288 XLIRJIHUJIXQCN-HNNXBMFYSA-N 332.762 2.901 0 50 EFAA O=C(Cn1cccc1)NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 67757602 XWZOIDVQZMIVLU-MRXNPFEDSA-N 336.439 2.608 0 50 EFAA O=C1CCC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)N1 345501218 FLMPJBOMRJUJBY-SECBINFHSA-N 334.725 2.757 0 50 EFAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccccc1F 20599383 HFHLJYCBJLBHSO-GOSISDBHSA-N 344.430 2.600 0 50 EFAA COCc1ncc(CN2CCc3[nH]cnc3[C@H]2c2ccc(C)cc2)cn1 67514787 QRAPUSCWSNBFKN-HXUWFJFHSA-N 349.438 2.802 0 50 EFAA COCc1ccc(C(=O)N2CCN(c3ncccc3C)CC2)s1 67674735 ZICTZMFOQVJSBW-UHFFFAOYSA-N 331.441 2.560 0 50 EFAA Cc1cc(NCc2cccc(-c3nnn[nH]3)c2)nc(-c2cccnc2)n1 65451704 NHQYVQJZLIVLGY-UHFFFAOYSA-N 344.382 2.639 0 50 EFAA CC1=CCC[C@H](C)[C@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 328623398 JBLOAQCQGRXADX-JWWIWJDOSA-N 344.503 2.830 0 50 EFAA Cc1cc(C)c(CN2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1CO 63882967 KLJNIMJUNNCELF-FQEVSTJZSA-N 338.451 2.516 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)[C@H](C)c3ccncn3)cc2c1 67974174 WEBACZKYCZBRJY-CYBMUJFWSA-N 338.411 2.910 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1OC 327154995 OTQPQCYETQHHJW-GFCCVEGCSA-N 341.363 2.923 0 50 EFAA NC(=O)c1csc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 77504657 NIGRDIVYHKGOPX-UHFFFAOYSA-N 345.403 2.641 0 50 EFAA CC(C)Oc1cccc2c1c(NC(=O)c1n[nH]c3c1CCC3)nn2C 72476871 NTJFECYXDRFREX-UHFFFAOYSA-N 339.399 2.825 0 50 EFAA CCCCc1nc(CN2C[C@H](O)[C@@H](N(C)CC(C)C)C2)c(Cl)[nH]1 72478689 FZNVGAZAFGGVJE-GJZGRUSLSA-N 342.915 2.539 0 50 EFAA O=C(CCCc1ccccc1Cl)NC[C@@H](CO)c1cccnc1 356488714 PUKHRPFBIAOMNQ-INIZCTEOSA-N 332.831 2.950 0 50 EFAA CCN(C)C(=O)c1ccc(N(C)Cc2ccc(-n3cccn3)cc2)nc1 77407758 DBKHCAJXMBUADB-UHFFFAOYSA-N 349.438 2.996 0 50 EFAA O=C(c1cccc2ccccc12)N1CCC[C@@](O)(CN2CCCC2)C1 77517978 AAHLLDBGMJBWEO-OAQYLSRUSA-N 338.451 2.903 0 50 EFAA CC(C)n1cc(C(=O)NC2CCN(C3CCSCC3)CC2)cn1 77458773 JEXBMAGKNBYZEL-UHFFFAOYSA-N 336.505 2.554 0 50 EFAA CN(Cc1nc(C(C)(C)C)no1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328651082 VVKIXQGJGUNNPB-RDJZCZTQSA-N 343.475 2.887 0 50 EFAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1O 153529733 ZMVXACMRMSMWLX-UHFFFAOYSA-N 340.788 2.669 0 50 EFAA Fc1cccc([C@@H]2CN(Cc3ncc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72139169 IHWATVNLCVYWEA-GDIGMMSISA-N 344.409 2.750 0 50 EFAA NC[C@H]1CCCCN1C(=O)NCCOc1cccc2ccccc12 417164600 PCQZBLFOCRYWFB-MRXNPFEDSA-N 327.428 2.741 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 374330468 NWWQSRNUWFBHCL-HNNXBMFYSA-N 349.394 2.632 0 50 EFAA CCCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72124129 JJUMKLHKUIVYME-DFQSSKMNSA-N 328.456 2.971 0 50 EFAA FC(F)(F)c1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)s1 157181088 ZZWLTVGWLVLKRG-SECBINFHSA-N 337.367 2.579 0 50 EFAA COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 218078659 RWKXEVZUYTWRJM-LLVKDONJSA-N 344.319 2.545 0 50 EFAA biogenic COc1cc(Cl)ccc1C(=O)NCc1c(C)ncc2c1CCNC2 72479798 OXKOBTRJELKLGS-UHFFFAOYSA-N 345.830 2.628 0 50 EFAA CCn1cncc1CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72165229 VEGSRLIZPZZCTE-PWRODBHTSA-N 336.483 2.965 0 50 EFAA Cn1ncc(C(=O)NC[C@H](CO)c2ccccc2)c1Cc1ccccc1 444994905 FQGZYOOBBHRZIB-GOSISDBHSA-N 349.434 2.517 0 50 EFAA COc1cccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1 237352769 YZMPROKFSFEAPN-SFHVURJKSA-N 339.391 2.666 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2oc(C3CC3)nc2C)c1 282305097 BMPBQTHONNCZMC-GOEBONIOSA-N 342.395 2.817 0 50 EFAA COCCCN(C(=O)c1cn(C)cn1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 337515862 PYFNZHIVORFYQC-AAEZLKGMSA-N 331.460 2.724 0 50 EFAA FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3cncnc3)C2)c1 241160537 JYBDQDBYWYBWEG-CYBMUJFWSA-N 338.333 2.744 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cn[nH]c1 242047877 VQULJIDCTITNTP-RHSMWYFYSA-N 327.432 2.784 0 50 EFAA CN(C)C(=O)c1cccc(NC(=O)c2nnc(C(C)(C)C)s2)c1 282979788 NEFQJNJJUALZPE-UHFFFAOYSA-N 332.429 2.790 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 222453868 NZVONUICDCNABS-OAHLLOKOSA-N 328.460 2.946 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nc3ccccc3o1)CO2 221386075 WPSGTUVZGPWZNZ-ZDUSSCGKSA-N 338.363 2.704 0 50 EFAA Cc1ccccc1CC(C)(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 263989159 MXEPOCOGYDPQQT-UHFFFAOYSA-N 345.487 2.826 0 50 EFAA Cn1cc([C@H](NC(=O)c2scc3c2CCCC3)[C@H]2C[C@H](O)C2)cn1 223317939 FUWCEFUOGUHAHH-IVMMDQJWSA-N 345.468 2.602 0 50 EFAA Cc1cc(CN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)[nH]n1 19782055 WMCCNEVBXPOCDF-UHFFFAOYSA-N 336.443 2.889 0 50 EFAA CCc1c(C)cc(C(=O)N[C@@H](C)c2c(C)nn(CC)c2C)c(=O)n1C 426425222 KXJYMWSTDFYHKZ-LBPRGKRZSA-N 344.459 2.580 0 50 EFAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 426618117 KRJDNEZAMNCUFB-CYBMUJFWSA-N 335.354 2.626 0 50 EFAA c1cc(-c2noc(CN3CCC(OC[C@@H]4CCCCO4)CC3)n2)co1 177600554 YGEMVQLRMNSTBS-INIZCTEOSA-N 347.415 2.880 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)c(C)n1 426442954 NLXUBLCVVFCBNP-KRWDZBQOSA-N 337.423 2.703 0 50 EFAA CCC[C@@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2)C[C@H]1C(=O)O 91255056 UYBCDAQIUMOYDS-HUUCEWRRSA-N 349.427 2.596 0 50 EFAA CCc1nnc(CNC(=O)Nc2cc3nc[nH]c3c(C)c2C)s1 426724046 UPQKSZYYSRBEEA-UHFFFAOYSA-N 330.417 2.915 0 50 EFAA COCCn1ccnc1C1CCN(CC[C@H](O)c2ccccc2)CC1 91651144 OZQQPXXLUTXQSU-IBGZPJMESA-N 343.471 2.833 0 50 EFAA CN(C)c1ccc(CC(=O)N2CCC[C@@](CC3CC3)(C(=O)O)C2)cc1 91726023 CXLZFXZZRUTMKH-FQEVSTJZSA-N 344.455 2.789 0 50 EFAA O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1CCOC1 97729820 OOOIQQZCWDVGHL-NRXISQOPSA-N 327.428 2.989 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 244691903 JKZFXUDQVULCGI-DAYGRLMNSA-N 344.386 2.780 0 50 EFAA 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CC(C)(C)OC(=O)NCCC(=O)N1CCC(=O)C[C@H]1c1ccccc1 408517625 OUFVRUABHKQXMH-INIZCTEOSA-N 346.427 2.834 0 50 EFAA C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(OC(F)(F)F)cc1 189442626 QJQCEDNIPGELQM-GMXVVIOVSA-N 344.333 2.882 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 682830551 SMHSAHMGUZQZCI-MRXNPFEDSA-N 325.368 2.607 0 50 EFAA O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cccnc1OCC(F)F 647663952 FUULIIIHSGJATC-JSGCOSHPSA-N 333.338 2.654 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)Cc2ccc(Cl)cc2)(C(=O)O)C1(C)C 193053594 UIVAMXOPQOJERH-DYVFJYSZSA-N 339.819 2.657 0 50 EFAA CC[C@@H](C(=O)N1CSC[C@H]1C(=O)NCC1CC1)c1ccccc1 193337625 RFCONINZHYCTRX-CVEARBPZSA-N 332.469 2.608 0 50 EFAA Cc1csc(S(=O)(=O)N2CCCC[C@H]2CCCC(=O)O)c1 656525834 GADYGPNGIDTOLX-LBPRGKRZSA-N 331.459 2.855 0 50 EFAA COc1cccc([C@H](NC(=O)Cc2ccc(C)c(C)c2)C(=O)O)c1 659175276 MOYOVHRCDANGRF-SFHVURJKSA-N 327.380 2.797 0 50 EFAA CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 659144609 CFDXCNHRBKTMAU-WCBMZHEXSA-N 330.306 2.730 0 50 EFAA CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1F)c1ccnn1C 1506413744 LXGAJSNHLROWIL-ZDUSSCGKSA-N 345.827 2.783 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)c1nn(C)c2ccccc12 1506430891 YYDCCOAEAKLJOV-UHFFFAOYSA-N 337.408 2.850 0 50 EFAA CN(CCC12CC3CC(CC(C3)C1)C2)c1nc(N)c2cnn(C)c2n1 1506421634 SELLIEDFYJXBBU-UHFFFAOYSA-N 340.475 2.988 0 50 EFAA CC(=O)c1cnc(NCCc2nc(C)cc(C(F)(F)F)n2)nc1C 1704330452 CMOYRBBIQRBGQR-UHFFFAOYSA-N 339.321 2.759 0 50 EFAA CCCNc1ncc(CN2CCC(Cc3ccc(O)nc3)CC2)cn1 1772804641 CDGZALULGCHETG-UHFFFAOYSA-N 341.459 2.854 0 50 EFAA O=C(Cn1cccn1)NCc1cccnc1Oc1ccc(F)c(F)c1 11665107 XWZDHMPLMREDJV-UHFFFAOYSA-N 344.321 2.665 0 50 EFAA COc1cccc(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)c1 12371592 DRJWQDGBGIBZTB-CQSZACIVSA-N 336.351 2.508 0 50 EFAA O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccccc1F 13141638 KMBOPAUFALRVOB-UHFFFAOYSA-N 329.360 2.737 0 50 EFAA CCOc1ccccc1NC(=O)c1c(OC)cc(=O)n2c1CCCC2 169752865 UEERWYMSZDJDQG-UHFFFAOYSA-N 342.395 2.844 0 50 EFAA CO[C@H]1C[C@H](c2nnc([C@@H]3C[C@H]3c3ccc(F)cc3)o2)N(C(C)=O)C1 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LEMUVMJEKKEVSL-PWSUYJOCSA-N 331.338 2.697 0 50 EFAA COc1ccc(C2=NO[C@H](CN[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)cc1F 952876943 IUMZHSGHCWXQFL-UHIXZJCNSA-N 348.418 2.730 0 50 EFAA Cn1nc(C(F)(F)F)cc1CN1C[C@@H](C(=O)O)C2(CCCC2)C1 1875291199 RABGRIWMLZDJDT-NSHDSACASA-N 331.338 2.516 0 50 EFAA C[C@@H](NCCn1cc(Br)cn1)c1ccc(F)c(O)c1 1875285630 UISCQSHEGBKKCA-SECBINFHSA-N 328.185 2.841 0 50 EFAA COc1ncccc1NC(=S)Nc1c(C)nn(C)c1C(F)F 1875298757 MFKVUQJXGGTOGU-UHFFFAOYSA-N 327.360 2.879 0 50 EFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@@H]2[C@@H]2CCCNC2)cc1 1875292486 JQOXPIICWFUUGQ-HMXCVIKNSA-N 349.478 2.930 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)O)C2 1875306209 XGSBTYKSHCAIPV-QEJZJMRPSA-N 345.443 2.651 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cc(F)cc(-c3cccnc3)c2)cn1 1875381070 JKUYXZKXZDYWKG-KOSHJBKYSA-N 338.386 2.884 0 50 EFAA Cc1oncc1C(=O)NC1([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H]2C)CC1 1875335646 ATSADERXRHJGIZ-INWMFGNUSA-N 345.443 2.673 0 50 EFAA CC(C)C(=O)c1ccc(NC(=O)NCc2nnn(C(C)(C)C)n2)cc1 888093884 DTEDDZIUQLFBHK-UHFFFAOYSA-N 344.419 2.589 0 50 EFAA COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2 891623913 RXNWRENFKRDCBS-IYJAJMOOSA-N 345.443 2.565 0 50 EFAA CNc1cc(N2CCO[C@@H](c3cccc(Br)c3)C2)ncn1 892165967 BEUQEQBVDFYOSY-CYBMUJFWSA-N 349.232 2.859 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccncc1 88477 FBJZZZNHVBUJRV-UHFFFAOYSA-N 344.411 2.785 0 50 EFAA Cn1cnc2cc(C(=O)N3CCCc4ccccc4C3)ccc2c1=O 2100543131 MLEZQCZPXCOESH-UHFFFAOYSA-N 333.391 2.522 0 50 EFAA Cc1cc(Cl)cc2cc(C(=O)NCCN=c3cc[nH]cc3)[nH]c12 2325737061 FNJRUZDXQWJCFZ-UHFFFAOYSA-N 328.803 2.789 0 50 EFAA C[C@H](NC(=O)c1ccc2c(=O)ccoc2c1)c1ccc2c(c1)CC(=O)N2 2325748786 NNJVRKPTGXXYFX-NSHDSACASA-N 348.358 2.779 0 50 EFAA CN(Cc1csc2ccccc12)C(=O)c1c(CN)nn2c1CCC2 2325789216 DXSSMPOCFBZSKU-UHFFFAOYSA-N 340.452 2.775 0 50 EFAA COCC1(NC(=O)c2csc(C3CCCCC3)n2)CCNCC1 2325795323 ZKXMXIBKOMXIMM-UHFFFAOYSA-N 337.489 2.689 0 50 EFAA Cc1nc2ccccc2cc1CN1CCN(CCc2cnccn2)CC1 2325800365 ADFYOYNFFABEKL-UHFFFAOYSA-N 347.466 2.694 0 50 EFAA CN(Cc1cncnc1)C(=O)COc1ccc(Cl)cc1Cl 2325822651 GUWWCLXWYQLRCT-UHFFFAOYSA-N 326.183 2.821 0 50 EFAA CC(C)(C)c1cn([C@@H]2CC[C@H](C(=O)N[C@]34C[C@@H]3COC4(C)C)C2)nn1 2325824448 BFZGGXLBZLMMKX-FGBSKUFISA-N 346.475 2.601 0 50 EFAA C[C@H](CF)C(=O)N1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 2325871398 KHAITERVOKGRRV-CJNGLKHVSA-N 343.402 2.561 0 50 EFAA CN1C(=O)CCc2cc(NC(=O)c3cccc4c3CCOC4)ccc21 932004656 HEKOWBNQCXZCBZ-UHFFFAOYSA-N 336.391 2.921 0 50 EFAA CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O 149045 VRUYZQVRGWGPMI-UHFFFAOYSA-N 328.276 2.782 0 50 EFAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1cccc(Br)c1 285165 GIBOUZZZGJXKQA-QMMMGPOBSA-N 347.423 2.868 0 50 EFAA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(OC)c1 456915 AVNVKUZOZVKUSC-UHFFFAOYSA-N 347.396 2.764 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C 617939 BATCENDYKSYVHL-UHFFFAOYSA-N 335.381 2.576 0 50 EFAA O=C1C[C@H](c2ccc(-c3cnc4c(N5CCCC5)nccn34)cc2)CN1 2356155943 OOLRUBPMAJNMRI-INIZCTEOSA-N 347.422 2.600 0 50 EFAA O=C1C[C@@H](SCCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 2838217 NMXOWZWKWYAIRA-MRXNPFEDSA-N 343.404 2.836 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NC(=O)c1ccco1 4520032 CREAEWBKDSYESE-AWEZNQCLSA-N 330.340 2.658 0 50 EFAA C/C(=C\C(=O)NCC(=O)Nc1ccc(O)cc1)c1cccc(F)c1 221755434 FURCGIVIAORJTQ-FMIVXFBMSA-N 328.343 2.690 0 50 EFAA Cc1cc(C)n(Cc2nc(-c3c(Cl)nc4ccccn34)no2)n1 225552841 JJLCRTPMTFWXRZ-UHFFFAOYSA-N 328.763 2.899 0 50 EFAA C[C@@H]1CN2CCC[C@@H]2CN1Cc1cccc(C(=O)N2CCCCC2)c1 113271355 CGEDLKAGOVNLSQ-YLJYHZDGSA-N 341.499 2.981 0 50 EFAA O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N1CC[C@@]2(CCOC2)C1 227346724 NTFHCPGJQZFFQP-DBVUQKKJSA-N 326.440 2.713 0 50 EFAA COCCN(Cc1cccs1)C(=O)c1nn(C)c2ccccc12 55308048 IDBZUYLPHJNMEA-UHFFFAOYSA-N 329.425 2.924 0 50 EFAA Cc1nc(N2CCC[C@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3 67724585 ODEYSJVJBORHFP-CQSZACIVSA-N 338.455 2.909 0 50 EFAA OCC[C@@H]1CN(C/C=C/c2ccco2)CCN1Cc1cccs1 20540340 CFZOFJZRXYLJJL-JHBSALDVSA-N 332.469 2.923 0 50 EFAA Cn1cnnc1C1CCN(Cc2cc(-c3ccsc3)[nH]n2)CC1 20540768 VDUBVHBVCHXKDQ-UHFFFAOYSA-N 328.445 2.646 0 50 EFAA NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)O1 248818294 AWVYTGMQQJLTBL-PVBCXJELSA-N 348.468 2.565 0 50 EFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccnc2O)C1 343754530 JWVPZYLZZVWRMO-CQSZACIVSA-N 329.375 2.634 0 50 EFAA O=C(Cc1ncc[nH]1)NCC1(c2cccc(Br)c2)CCC1 1362135002 POKQXNZGEUDZSF-UHFFFAOYSA-N 348.244 2.953 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(O)cc3)nc2)C1 67840721 WXQLSKXCEZJLCN-CQSZACIVSA-N 326.396 2.953 0 50 EFAA CNC(=O)c1ccsc1NC(=O)C[C@H]1OCCc2ccccc21 1361922767 KBOZGONZAZWBRL-CQSZACIVSA-N 330.409 2.750 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3cc(O)c(C(=O)O)cc32)ccc1F 65372695 HFYBNDVQHGJSKW-SECBINFHSA-N 331.299 2.712 0 50 EFAA Cc1ccc(C(=O)N(C)[C@H](C)c2nccs2)cc1N1CCNC1=O 65465789 TXQREIKOBJEDDO-GFCCVEGCSA-N 344.440 2.814 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)no1 65501202 UNODLSBPTRVCLV-ZDUSSCGKSA-N 339.399 2.861 0 50 EFAA Cc1nn(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1Cl 67920134 UPZHSWGHDDBTCG-UHFFFAOYSA-N 333.823 2.625 0 50 EFAA C[C@H](C(=O)NCc1ccccc1Cn1cccn1)n1cc(Cl)cn1 65398450 VPXBZBYERSPMIH-CYBMUJFWSA-N 343.818 2.659 0 50 EFAA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1csnn1 1387597 SGOSSUVDJFJWKC-UHFFFAOYSA-N 332.332 2.684 0 50 EFAA O=C(NCc1csc(COc2ccccc2)n1)C1CCC(O)CC1 252497311 QDLBFVJGOSJACX-UHFFFAOYSA-N 346.452 2.889 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@H]3CCC[C@@H](C4CC4)C3)C2)cn1 229930323 UWHISAQCDRYTDB-QGTPRVQTSA-N 330.476 2.963 0 50 EFAA CCn1nccc1C(=O)Nc1nc2ccccc2nc1N1CCCC1 120495424 FJJOTMRNSVQHFX-UHFFFAOYSA-N 336.399 2.699 0 50 EFAA COc1ccc(-c2nccn2CCS(C)(=O)=O)c2ccccc12 72429559 NYPIKCXQCILESU-UHFFFAOYSA-N 330.409 2.757 0 50 EFAA COc1cc(CN2CCC[C@H](O)CC2)ccc1OCCN1CCCC1 216483963 HBAOSQRCBMHGAM-SFHVURJKSA-N 348.487 2.517 0 50 EFAA C[C@H](CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328629237 IAJODXPORFJCHZ-PMPSAXMXSA-N 336.480 2.925 0 50 EFAA CC1=CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 253425357 CTMUUGWATWGROC-MRXNPFEDSA-N 330.403 2.857 0 50 EFAA O=C(c1ncc(F)cc1F)N1CC[C@@H](n2ncc3ccccc32)C1 253433490 XOPJAJBCRKDPKC-CYBMUJFWSA-N 328.322 2.797 0 50 EFAA O=C(C[C@@H]1CCCN1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 154151906 AZRVZPODDAKFJA-SFHVURJKSA-N 349.434 2.970 0 50 EFAA CCO[C@H]1C[C@@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 241969491 UWQORDYKBWRBKB-MOPGFXCFSA-N 341.455 2.936 0 50 EFAA C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 14210757 ZMYQDRJVDJPRQW-SECBINFHSA-N 341.335 2.733 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2ncc[nH]2)C1 75534561 FNTOJKZQVLWKLE-OAHLLOKOSA-N 348.406 2.785 0 50 EFAA O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1ncc[nH]1 331894619 XVYVLGFTNMTXPB-LLVKDONJSA-N 329.784 2.728 0 50 EFAA COCc1cc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)ccc1F 375047528 RCBKQNYBEALQRS-HXUWFJFHSA-N 343.398 2.508 0 50 EFAA O=C(CCn1ccnc1)N1CCC[C@H](OCc2ccccc2F)C1 366393390 RBTZEJGPKRBNMX-INIZCTEOSA-N 331.391 2.620 0 50 EFAA NC(=O)c1ccc(N2CCC[C@H](OCc3ccccc3F)C2)nc1 366506583 SIBVRCIICZXJIJ-HNNXBMFYSA-N 329.375 2.505 0 50 EFAA CCN1CCN([C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C2)CC1 127161072 PWJUUEHHYNWEOF-SFHVURJKSA-N 335.536 2.831 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2ncccc2C(F)(F)F)CC1 369083130 HZHOGEAHXIOESX-GFCCVEGCSA-N 326.322 2.774 0 50 EFAA CCc1nc(C)c(C(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)o1 72463572 KOBJJSTVUMWAGL-ZDUSSCGKSA-N 343.427 2.905 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCC(C(=O)O)CC1 262086375 LCWPZRABAOPMNX-UHFFFAOYSA-N 339.395 2.825 0 50 EFAA CSc1ccc(-c2nc(CN3CCNC(=O)CC3)c(C)o2)cc1 71682197 GGXMXESYLVLDPY-UHFFFAOYSA-N 331.441 2.694 0 50 EFAA CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3nccn3C)cc2)CC1 371464981 YMYJFXFNFNTJDF-KRWDZBQOSA-N 337.427 2.983 0 50 EFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@H]1C(F)F 338472378 VUBOLDQIOHSJJH-ZDUSSCGKSA-N 335.358 2.978 0 50 EFAA c1ccc2nc(N3CCC4(CCCN4Cc4c[nH]cn4)CC3)cnc2c1 72480226 AFBCUBXPGILIKO-UHFFFAOYSA-N 348.454 2.988 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)C1 240551528 GUKLVDMCCKJIQT-FHSNZYRGSA-N 347.434 2.759 0 50 EFAA O=C(Cc1ncccc1F)Nc1ccc(C(=O)N2CCCC2)cc1 280953976 XQFNNXHLOZLIBC-UHFFFAOYSA-N 327.359 2.638 0 50 EFAA COc1cccc([C@@H]2CN(c3nncs3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72137112 AONNXSUXEXMNOZ-GVDBMIGSSA-N 342.468 2.613 0 50 EFAA CCCN1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)C[C@@H]1C(=O)O 72436164 GONIAPAGFPNEIP-MRXNPFEDSA-N 348.443 2.688 0 50 EFAA CN1CCN([C@@H]2CCCCN(CCCCC3CCOCC3)C2)CC1 241124231 JGNVRTADKHRFHL-HXUWFJFHSA-N 337.552 2.685 0 50 EFAA O=C(O)C1CCN(C(=O)CCc2ccc(Br)cc2)CC1 238102189 RRJLELJECVOEDJ-UHFFFAOYSA-N 340.217 2.705 0 50 EFAA C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H]1c1cnn(C)c1 173319651 MWDBFIXOKCFPFF-BXUZGUMPSA-N 333.823 2.633 0 50 EFAA Cc1nnc(-c2cccc(C(=O)Nc3nc4c(s3)COCC4)c2)o1 174566108 LEIXYACCXJELBB-UHFFFAOYSA-N 342.380 2.827 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)O)cc12 263554279 YBMAWPHLTOZUHZ-XQJJYNOISA-N 346.358 2.641 0 50 EFAA CC(C)(O)C1CN(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 287341118 XRJXJEMQURRBGG-ZFWWWQNUSA-N 329.444 2.910 0 50 EFAA CC(C)c1cc(CN(C)C(=O)c2cc3c(n(C)c2=O)CCCC3)on1 426387224 HKBNJQSXQCLIFK-UHFFFAOYSA-N 343.427 2.648 0 50 EFAA CN(CCc1cnn(C)c1)C(=O)c1ccc(CN2CCCCC2)cc1 95378666 ZOJNPZHNFBJCMD-UHFFFAOYSA-N 340.471 2.721 0 50 EFAA CCc1nn(C)c(NC(=O)N2CCOCC2)c1-c1ccc(F)cc1 95531659 YPEYOQOIRZFROO-UHFFFAOYSA-N 332.379 2.653 0 50 EFAA CCCCSc1nc(N)cc(NCC2CCN(C(C)=O)CC2)n1 95363564 JTTAWBBAZSVOAZ-UHFFFAOYSA-N 337.493 2.621 0 50 EFAA COc1cc(C(=O)N2CC[C@@H](CN)C2)cc(Cl)c1OCC(C)C 178538620 ORALSSSMVPHAPE-LBPRGKRZSA-N 340.851 2.804 0 50 EFAA CN(C)C(=O)N1CCC(c2ncnn2-c2ccc(Cl)cc2)CC1 91746516 QFKRVCABWNUFIL-UHFFFAOYSA-N 333.823 2.782 0 50 EFAA CNC(=O)Cc1ccc(C[C@@H]2COc3c(cccc3OC)C2)cc1 95512603 IIQQMQJYBBOLMU-INIZCTEOSA-N 325.408 2.778 0 50 EFAA CSCc1nc(CNC(=O)c2cccc3nccnc23)cs1 97757914 ZRDQNPVYUBMPOD-UHFFFAOYSA-N 330.438 2.879 0 50 EFAA O=S1(=O)CC[C@H](N(Cc2ccccc2Cl)C[C@@H]2CCCO2)C1 246394729 KVJLGILGRJMNRN-GJZGRUSLSA-N 343.876 2.508 0 50 EFAA CCc1c(C)sc2ncnc(C[C@@H]3CC(=O)N(CCOC)C3)c12 244678403 ICBZPRSCGYSBCF-GFCCVEGCSA-N 333.457 2.600 0 50 EFAA CC(C)n1ccc2c(OCC(=O)NCCc3c[nH]cn3)cccc21 253407363 JUHICCUKEAKNRQ-UHFFFAOYSA-N 326.400 2.683 0 50 EFAA biogenic CC(=O)Oc1ccc(N(C(C)=O)c2nc(OC(C)=O)cs2)cc1 256055516 JNCWAOFWGCGHJP-UHFFFAOYSA-N 334.353 2.678 0 50 EFAA CN(Cc1nnc(-c2ccco2)o1)Cc1n[nH]c2c1CCCCC2 252505769 VTPOFJXWYGZBFM-UHFFFAOYSA-N 327.388 2.954 0 50 EFAA Cc1ccc(N2CCCN(C(=O)c3cnc4ccccc4c3)CC2)nn1 297598418 FPNRTWXVBXIDLW-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA COCCN(Cc1ccc(C)s1)C(=O)NCC(C)(C)N(C)C 534636912 GPMMFKFEHXIHFX-UHFFFAOYSA-N 327.494 2.555 0 50 EFAA CCc1ccccc1OC1CN([C@@H](C)C(=O)Nc2ccccn2)C1 299791170 CQXCTPVALCLFIB-AWEZNQCLSA-N 325.412 2.734 0 50 EFAA Cc1ccc(-c2ccc(NC(=O)NC[C@@]3(O)CCNC3)cc2)cc1 299790774 CHNRDPRSKZSGNP-LJQANCHMSA-N 325.412 2.508 0 50 EFAA CN(C[C@@H]1COCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 299768420 JJALSZHRCNKMJU-CQSZACIVSA-N 333.413 2.689 0 50 EFAA Cc1ccc2nc(CNC(=O)CCN3CCCCCCC3)cn2c1 299787103 VCZWMWOTHDEDHB-UHFFFAOYSA-N 328.460 2.915 0 50 EFAA O=C(c1cn[nH]c1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299768331 TYEMZHZXUQUAEE-QOKNQOGYSA-N 339.395 2.520 0 50 EFAA CCCCn1nc(-c2ccccc2)nc1[C@@H]1CCCN1S(C)(=O)=O 822888864 MZXAMQDKTMPNQR-HNNXBMFYSA-N 348.472 2.842 0 50 EFAA CC(=O)c1ccccc1C(=O)Nc1ccccc1CN1CCOCC1 828178922 KVCUZTMGVUUUAJ-UHFFFAOYSA-N 338.407 2.974 0 50 EFAA Cc1nccn1CC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 827861295 AYWNMSPAZDAPBZ-QGZVFWFLSA-N 329.400 2.778 0 50 EFAA CCCc1nc(C(=O)N[C@H]2COc3c(cccc3OC)C2)cs1 823023310 DKKKSUHTYGUHAQ-GFCCVEGCSA-N 332.425 2.838 0 50 EFAA Cn1cc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)ccc1=O 952974351 MDKHGFNJEHIZHE-QGZVFWFLSA-N 342.395 2.586 0 50 EFAA CC(C)(C)OCc1cc(C(=O)NCc2ccn3ccnc3c2)no1 186130848 BLYHIJQDTOXHBS-UHFFFAOYSA-N 328.372 2.567 0 50 EFAA C[C@H](C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1)c1cccs1 275680108 QBADKJNNLZYLEE-UONOGXRCSA-N 345.468 2.993 0 50 EFAA Cn1ccc([C@@H](NC(=O)Cn2cnc3c2CCCC3)C(F)(F)F)c1 170594954 ILVOYUWQJDWPLA-OAHLLOKOSA-N 340.349 2.520 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCC(OC)(C(F)(F)F)CC2)c1 634692812 KJCMYZWGPUNRTJ-ZDUSSCGKSA-N 347.333 2.864 0 50 EFAA Cn1ccc2cccc(NC(=O)c3ccnc(O[C@@H]4CCOC4)c3)c21 188988972 AESPGWZNSFGITM-OAHLLOKOSA-N 337.379 2.993 0 50 EFAA CC1(C)CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)[C@@H]1[C@H]1CCCO1 646431760 VHAVIYACERRCNG-HUUCEWRRSA-N 326.400 2.501 0 50 EFAA Nc1ncncc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 192330206 PUTDLVYSJBFZOW-UHFFFAOYSA-N 340.412 2.521 0 50 EFAA CCO[C@@H](CNC(=O)Nc1c(C)ccn(C)c1=O)c1ccccc1 193650544 HLJSVOOPMHCGDM-HNNXBMFYSA-N 329.400 2.593 0 50 EFAA CCS(=O)(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 195291510 YLJRWABDSNPEOI-UONOGXRCSA-N 341.498 2.586 0 50 EFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3nncn3c1)[C@H]2C 679768618 DJKKTQUUCUPOOJ-STQMWFEESA-N 336.395 2.886 0 50 EFAA CC[C@H](N[C@H](CO)C1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 716132833 LBXXPTLAIUCBIX-JKSUJKDBSA-N 326.481 2.773 0 50 EFAA O=C(Cc1ccccc1)NC[C@H]1CCCN(CCCn2cccc2)C1 1506415614 ZDRUXNFGFDLFBB-HXUWFJFHSA-N 339.483 2.949 0 50 EFAA Cc1cc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)ccc1Cl 1704309182 KDFLCFMVYGKHEG-UHFFFAOYSA-N 334.851 2.884 0 50 EFAA COC(=O)c1cc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)ccc1Cl 147790584 NOSCXKATCQTXLY-ZYHUDNBSSA-N 341.791 2.649 0 50 EFAA CCCCCc1nc(-c2nn(C)cc2Cl)n(-c2cnn(C)c2)n1 1772806420 XYNUFOPJEROKTD-UHFFFAOYSA-N 333.827 2.787 0 50 EFAA O=C1CCCN1CCC(=O)N1CCC[C@H](CCc2ccccc2)C1 12057184 YWSORCYMJRFIQL-GOSISDBHSA-N 328.456 2.870 0 50 EFAA O=C(NCCNC(=O)c1ccccc1Cl)c1cc2ccccc2[nH]1 13723849 QITSUYVQNFGLNC-UHFFFAOYSA-N 341.798 2.981 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c1 19565308 VHWQIVLYLXQEGB-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA biogenic Cc1cn2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c(=O)[nH]1 206644823 KHKMSQQYDJMRQT-UHFFFAOYSA-N 336.273 2.602 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CCC(=O)O)C1 315154553 ZELDPKIXDHCLCG-LBPRGKRZSA-N 345.848 2.914 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3nc(C)ncc3Cl)C[C@H]12 1875249859 GDQXNTZMMNDFSP-NHULGOKLSA-N 335.835 2.876 0 50 EFAA N[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1 225462972 ILKUUKFESJZTHX-GOSISDBHSA-N 328.387 2.896 0 50 EFAA COc1cc2c(Cl)ccnc2cc1OCCCN1CCOCC1 114813401 NNBAWPGQHJMVCK-UHFFFAOYSA-N 336.819 2.998 0 50 EFAA COc1ccc(CN(C(=O)N2CCOCC2)[C@@H](C)C2CC2)c(OC)c1 328765189 AMBMJZQZAYAGIR-AWEZNQCLSA-N 348.443 2.757 0 50 EFAA Cc1csc([C@H](C)CNC(=O)c2ccnc(OC(F)F)c2)n1 450588204 VFLKSZWJSJRIAD-MRVPVSSYSA-N 327.356 2.981 0 50 EFAA CCCc1cc(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)[nH]n1 248193701 NKIWXABUXAAAMN-UZLBHIALSA-N 341.455 2.818 0 50 EFAA Brc1cncnc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 367268643 AUWZZVZUEYLQJE-JTQLQIEISA-N 349.236 2.619 0 50 EFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(C(N)=O)cc1 367881699 UNLXTAUSKOSJHF-ZDUSSCGKSA-N 339.443 2.611 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C1 261842186 YSLDFMSJJDMMBO-SNVBAGLBSA-N 339.775 2.786 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3F)s2)C1 262987339 CYRWADVVYKBXKN-NSHDSACASA-N 349.387 2.811 0 50 EFAA CC(C)(C)c1ncc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)cn1 806860696 VOZKHMHFIXZZQF-SFHVURJKSA-N 349.381 2.690 0 50 EFAA CCc1ccc([C@H]2CN(C(=O)c3cnc(O)cc3OC)CCO2)cc1 935618635 VQPKMDNKUKWIPE-QGZVFWFLSA-N 342.395 2.572 0 50 EFAA COC(=O)/C=C/CNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 1875273175 DESAJCWCJPPBCV-SNAWJCMRSA-N 343.383 2.683 0 50 EFAA CCCn1c(CN(C=O)C2CCN(CC)CC2)nc2ccccc21 1875325577 PQWTUCCSIYGKJI-UHFFFAOYSA-N 328.460 2.889 0 50 EFAA CC1(C)CCN(C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)S1(=O)=O 1875392478 DZDRNOMTELBXHL-KBPBESRZSA-N 325.405 2.660 0 50 EFAA Nc1nnc([C@H]2CCCN(C[C@H](O)c3cccc4ccccc34)C2)o1 878945110 FAQGIXRUVCPDNK-YOEHRIQHSA-N 338.411 2.718 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC(O)(C4CCC4)CC3)n[nH]2)o1 884988596 UVOZNPKPZFQMMM-UHFFFAOYSA-N 329.400 2.745 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cc(OC(C)C)ncn2)C1 888102950 WLFVGZOQMPIESA-KGLIPLIRSA-N 331.420 2.570 0 50 EFAA O=C(NCc1ccc(CCO)cc1)N[C@H]1Cc2ccc(Cl)cc2C1 894625723 TUEFFYSSHXYPAI-SFHVURJKSA-N 344.842 2.841 0 50 EFAA CCN(CC)C(=O)CCC1CCN(c2nccc3nc[nH]c23)CC1 1774590234 LERDURCZVOAOFK-UHFFFAOYSA-N 329.448 2.823 0 50 EFAA COc1cc([C@@H](C)NC(=O)N(C)Cc2nc[nH]n2)cc2ccccc12 898912140 BWGXPKJXFIVWKT-GFCCVEGCSA-N 339.399 2.869 0 50 EFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1C(F)F 341202748 FFZVFHGAOHFXPD-UHFFFAOYSA-N 338.333 2.688 0 50 EFAA C[C@@H](CC1(O)CCOCC1)Nc1cc(C(=O)OC(C)(C)C)ccn1 2325767456 XTDPPPUSLIQEOH-ZDUSSCGKSA-N 336.432 2.769 0 50 EFAA CCc1nn(C)c(CC)c1CNCCN(CC(F)(F)F)C1CC1 2325774304 FNMFHVMZSWHYJT-UHFFFAOYSA-N 332.414 2.661 0 50 EFAA CC(C)[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2C1=O 44866 WHZXXYYHHHQBQY-INIZCTEOSA-N 328.412 2.710 0 50 EFAA CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1OC 205703 FMJXOYASCHHXLB-CYBMUJFWSA-N 333.413 2.596 0 50 EFAA Cc1ccc(-c2nc(CN3CCC[C@@]34CCCN(C)C4=O)no2)cc1 2356147614 FJPUCCDCNOZLCT-LJQANCHMSA-N 340.427 2.632 0 50 EFAA O=C(NCc1cccc2ncsc12)c1ccccc1-n1cncn1 2356157030 BBVQYNIYRJGURQ-UHFFFAOYSA-N 335.392 2.807 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1 2845663 OBJZSFYGUXDMGP-UHFFFAOYSA-N 349.456 2.549 0 50 EFAA COc1cc(NC(=S)N[C@H](C)c2cn(C)nc2C)cc(OC)c1 2858307 MQYPBXZYHMZJPI-SNVBAGLBSA-N 334.445 2.793 0 50 EFAA CCOc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 4188630 JKCIQUHVYQXQNC-UHFFFAOYSA-N 342.468 2.999 0 50 EFAA CCOc1ccc(C(=O)N2CCC(NCc3ccncc3)CC2)cc1 135952095 KPKNLMWZVVIHKP-UHFFFAOYSA-N 339.439 2.875 0 50 EFAA COc1ccc(CC(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1 20745631 NKADJPPBLSGZAN-GOSISDBHSA-N 338.411 2.794 0 50 EFAA CC(C)(O)CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225402556 HZXQGNPLSIDUBV-QWHCGFSZSA-N 331.334 2.501 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)nc1 225681919 MXHHJHDTKWRSGY-YJBOKZPZSA-N 344.386 2.956 0 50 EFAA Cn1cc(CN(Cc2cc(=O)n3c4c(cccc24)CCC3)C2CC2)cn1 67515156 BGXCUPQWYRIKKH-UHFFFAOYSA-N 348.450 2.846 0 50 EFAA CN(Cc1cnc2ccccc2n1)C(=O)CC[C@H]1CCCCN1C 65422731 UAFKHOIIZQSTFB-MRXNPFEDSA-N 326.444 2.853 0 50 EFAA COc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1Cl 5661778 BRFNPCPASQSVGB-UHFFFAOYSA-N 329.780 2.966 0 50 EFAA Cn1cc([C@@H](O)CN[C@H]2CCCOc3cc4c(cc32)CCCC4)cn1 360078904 KOADKABDYQRVHW-OALUTQOASA-N 341.455 2.836 0 50 EFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H](C)n1cccc1 409414518 UCGRUHILWDWMFV-GBESFXJTSA-N 347.503 2.789 0 50 EFAA biogenic CC(C)N1CCC(CC(=O)NCc2nncn2C2CCCCC2)CC1 65533378 YSBZJKOMVOAJLY-UHFFFAOYSA-N 347.507 2.910 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H](N2CCCC2=O)C1 125477329 UKGKQLKZDMUTBG-AWEZNQCLSA-N 338.810 2.635 0 50 EFAA O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 31813477 UNJSPCHYXGSYGY-JTQLQIEISA-N 346.387 2.546 0 50 EFAA O=C(c1cocn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72422617 CWOGURPPGWMZCT-UHFFFAOYSA-N 340.301 2.817 0 50 EFAA CC(C)Oc1ccc(NC(=O)N2CC(=O)N(C3CC3)C2)c(Cl)c1 279611990 SBGRDQWQWXMIQM-UHFFFAOYSA-N 337.807 2.923 0 50 EFAA CC(C)(O)CCc1ccc(CN2CCC(n3cnnc3)CC2)cc1 72435603 WLMCXWAYLFFZSJ-UHFFFAOYSA-N 328.460 2.819 0 50 EFAA CN1C(=O)[C@](CC(=O)N2CC=CC2)(Cc2ccccc2)c2ccccc21 71681920 MWBOYCMNLNJKBT-QFIPXVFZSA-N 346.430 2.932 0 50 EFAA O=C(CCc1ccncc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 219185734 RXSRSBNKSRNROK-MOPGFXCFSA-N 340.423 2.505 0 50 EFAA Cn1cccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1=O 120368789 QNZLQWMXBLFJRC-RHSMWYFYSA-N 341.411 2.675 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)C2(CCCC2)O1 77407234 WZFMVOLHHQDCGZ-INIZCTEOSA-N 328.412 2.664 0 50 EFAA COc1ccc(Cc2nnc(NC(=O)c3ccccn3)s2)cc1 31810839 ROCJPJOMQBEIFA-UHFFFAOYSA-N 326.381 2.785 0 50 EFAA CN(C(=O)c1n[nH]cc1Cl)[C@@H]1CCCN(CCc2ccccc2)C1 72172381 VEQRFGCGGNYYNB-OAHLLOKOSA-N 346.862 2.842 0 50 EFAA Cc1ccc(-c2noc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 253630062 SKFIGDRRNZLTTO-UHFFFAOYSA-N 338.367 2.600 0 50 EFAA COCc1nnc(NC(=O)Cn2ccc3ccc(Cl)cc32)s1 31809821 CBFWPFWUGCELLJ-UHFFFAOYSA-N 336.804 2.931 0 50 EFAA NC(=O)C[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1 358460288 WNMAQNWKRCMVPU-MRXNPFEDSA-N 339.370 2.582 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H](C)N1 153986483 RFXQCIFXEXYKGL-VXGBXAGGSA-N 325.250 2.591 0 50 EFAA CCc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)no1 218976166 QRRUYEQQKKTODF-MVJTYMMSSA-N 326.396 2.613 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)c3ccc(Cl)s3)CCO2)o1 328612969 QLCDGPCFOVRGMH-WPRPVWTQSA-N 341.820 2.797 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCC[C@H]2CCc2cccs2)cn1 77487228 OGTRRCFUUZAFEB-ZDUSSCGKSA-N 339.486 2.658 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 365461253 MDIPJQAEOAYCND-SFHVURJKSA-N 349.438 2.685 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 171382627 KMDQMWJMBACFOE-MRXNPFEDSA-N 325.364 2.812 0 50 EFAA CCc1nc(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)ncc1C 72156917 OTQOCCLZFWAIAE-INIZCTEOSA-N 342.418 2.742 0 50 EFAA O=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71761968 KCZIHQWQTFHSSK-MRXNPFEDSA-N 332.419 2.619 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN([C@H](C)c2nc(C3CC3)no2)C1 368848297 VQEFHGOIUAYYAZ-BXUZGUMPSA-N 332.404 2.904 0 50 EFAA Cc1nc2ccc(C(=O)N3CCCN(C(=O)C4CCC4)CC3)cc2o1 75038307 OQDPXCNNBYKKFN-UHFFFAOYSA-N 341.411 2.611 0 50 EFAA O=C(O)c1coc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 183758594 VCPIEBMDOKPQGU-UHFFFAOYSA-N 342.351 2.646 0 50 EFAA Cc1nc(N2CCN(Cc3cccc(F)c3)CC2)c2c(C)noc2n1 77470506 AIPLOHXLFBFXFR-UHFFFAOYSA-N 341.390 2.696 0 50 EFAA O=C1OC2(CCN([C@@H]3CCCOC3)CC2)CN1CCc1ccccc1 72468769 WTHYVDCNIJPIOE-GOSISDBHSA-N 344.455 2.695 0 50 EFAA CCc1cc2c(N3CCC(C)(C)S(=O)(=O)CC3)ncnc2s1 333340620 SRIRRRJIFSUZFM-UHFFFAOYSA-N 339.486 2.657 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 263395894 FMFYKSGIFXGXLN-HOTGVXAUSA-N 338.492 2.990 0 50 EFAA CCN(C)C(=O)[C@@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 241644638 PSJJASFJDVLRDD-CQSZACIVSA-N 332.448 2.665 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccnn1CC(F)F 242087940 WALSFKBHRWCWOO-UHFFFAOYSA-N 349.381 2.708 0 50 EFAA CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCCc2ccccc21 47442345 VEHUTJZOEJISPY-LJQANCHMSA-N 347.422 2.741 0 50 EFAA CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222510868 CQVZWAUBBMONEQ-HUUCEWRRSA-N 344.436 2.770 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 174639302 HNLVEDDIUBRAJK-KNQAVFIVSA-N 348.446 2.795 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1O 174731457 KWVCTKUZJPHSQG-SNVBAGLBSA-N 339.335 2.722 0 50 EFAA COc1cc(C(=O)N2CCO[C@H](c3ccco3)C2)cc(OC)c1C 176728585 DBWZHBZHXRPSKD-KRWDZBQOSA-N 331.368 2.819 0 50 EFAA CC[C@@H](NC(=O)CSc1nc(C)n[nH]1)c1nc2cc(C)ccc2[nH]1 220250719 JLBHNGCMSBMGOW-LLVKDONJSA-N 344.444 2.657 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(C)n1C1CC1 195289530 HPANSJIDJSKMBB-AWEZNQCLSA-N 341.459 2.900 0 50 EFAA COc1ccc(CCNC(=O)c2c(C)c3ccccc3[nH]c2=O)cc1 145291018 DBDZDOKKFMDELP-UHFFFAOYSA-N 336.391 2.818 0 50 EFAA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3nccs3)cc2)n1 426368248 IZDHVCNAKHLGBC-UHFFFAOYSA-N 341.440 2.839 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 95382972 LUZMXFVNBHGPJA-IBGZPJMESA-N 346.450 2.873 0 50 EFAA CC(C)N1CCN(c2ccc(I)cc2)CC1 96295473 KXPKVFZYXVGSJT-UHFFFAOYSA-N 330.213 2.822 0 50 EFAA O=C(O)c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91725334 YYBXRYWKVVDMJA-RHSMWYFYSA-N 342.439 2.608 0 50 EFAA Cc1ccc([C@@H](C(=O)NCCCNc2cccnc2)N(C)C)cc1 91602335 KBQNFBAWWAPFHS-SFHVURJKSA-N 326.444 2.611 0 50 EFAA O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1CC1CC1 95500049 ATGYZEFKFFYAGM-OAHLLOKOSA-N 326.400 2.808 0 50 EFAA Cc1cc(C)n(Cc2ccc(N3CCC[C@]4(CCOC4)C3)nc2)n1 95498330 GLMPMCFHXPGUJT-IBGZPJMESA-N 326.444 2.950 0 50 EFAA C[C@@H]1C(=O)N(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(=O)N1C 290485825 INSLDUNGZGMTDU-SECBINFHSA-N 338.289 2.678 0 50 EFAA O=C(c1ccnc(-n2cnnc2)c1)N(C/C=C/c1ccccc1)C1CC1 97515115 DRLICWKTDSUZFS-QPJJXVBHSA-N 345.406 2.980 0 50 EFAA CCc1oc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)cc1CN(CC)CC 91636823 QNGLYBNGGYMLBN-KUHUBIRLSA-N 336.476 2.917 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)Nc3ccc4cnn(C)c4c3)C2)no1 96138962 FDSCPJLZNFEZSO-ZDUSSCGKSA-N 340.387 2.676 0 50 EFAA C[C@@H](NS(C)(=O)=O)c1nc(C2CCCC2)nn1Cc1ccccc1 96167129 SUYQJKYTJMYELP-CYBMUJFWSA-N 348.472 2.594 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(c2ncnc3nc(C)cc(C)c23)C1 95357470 YULSXPJEYQHVSJ-OAHLLOKOSA-N 341.459 2.726 0 50 EFAA O[C@H]1[C@H](N2CCc3ccccc3C2)c2ccccc2C12CCNCC2 23251194 HMKGOXAFXHVXCJ-RTWAWAEBSA-N 334.463 2.782 0 50 EFAA COCCCCN1CCN(C(=O)Nc2ccc3ncccc3c2)CC1 95511950 IUKXCKOGBPSPIS-UHFFFAOYSA-N 342.443 2.811 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2OC)C[C@H]1C 91829552 WNEQWLPCEHXUDU-SJKOYZFVSA-N 341.835 2.598 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Cc1ccc(C)cc1 181315329 GPPAKUBIBDQMTJ-HOCLYGCPSA-N 326.444 2.979 0 50 EFAA CCc1ccc(NC(=O)C(=O)Nc2cccc(-c3nnco3)c2)cc1 163056803 GHFFHLRTGJHNGB-UHFFFAOYSA-N 336.351 2.876 0 50 EFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)C2)c1 299753192 XEZYHHDKHZCATJ-FMKPAKJESA-N 332.444 2.537 0 50 EFAA Cc1ccsc1[C@H](CNC(=O)c1cc(C(C)C)nc(N)n1)N(C)C 952860252 JMOZUTOFVCRZGI-AWEZNQCLSA-N 347.488 2.585 0 50 EFAA O=C(NCCCN1CCC[C@H](c2ncc[nH]2)C1)OCc1ccccc1 408525504 LPQIKTUKYMNWEW-KRWDZBQOSA-N 342.443 2.906 0 50 EFAA COCc1c(C(=O)NO[C@@H](CO)C(C)C)sc2cccc(F)c12 408520634 PARBZOXAINEXKQ-LBPRGKRZSA-N 341.404 2.865 0 50 EFAA C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc4ccccc4n3)CC2)CCO1 271861394 LLYZSKKBBXIEBF-RDJZCZTQSA-N 339.439 2.699 0 50 EFAA COC(=O)[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccsc1 186913825 CVMQVAQEDPZEIZ-ZDUSSCGKSA-N 337.422 2.526 0 50 EFAA Cc1ccccc1[C@@H]1CCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 638001472 SJOQUFRWQLOGJV-IAGOWNOFSA-N 326.444 2.613 0 50 EFAA C[C@@H](C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1)n1cncn1 189601485 SVIIZXULWLEXAY-NSHDSACASA-N 340.349 2.995 0 50 EFAA CO[C@@]1(c2nnc(COc3cccc(Cl)c3F)o2)CCOC1 643648920 BHZYHRFUNKTTQH-AWEZNQCLSA-N 328.727 2.703 0 50 EFAA Nc1ncncc1C(=O)N(Cc1c(F)cccc1F)C1CCCC1 192209555 LVOBYMKCTPQFGM-UHFFFAOYSA-N 332.354 2.922 0 50 EFAA O=C(Nc1scnc1-c1ccccc1)N[C@@H]1CCc2ncnn2C1 194000729 SIBZCRRNUFSXTG-GFCCVEGCSA-N 340.412 2.538 0 50 EFAA COc1ccccc1-c1nc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)c(C)o1 1800413153 BVJIVHVHTKXTRN-QDMKHBRRSA-N 328.412 2.861 0 50 EFAA COc1ccc(NC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)c(C)c1 1704297521 AMDSJFLGYCYRLV-GOSISDBHSA-N 348.443 2.932 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2ncsc2-c2ccccc2)C[C@H](C)O1 1775975119 DXZGPDWMYJOFMK-RYUDHWBXSA-N 338.454 2.608 0 50 EFAA O=C1CO[C@]2(CCN(Cc3sc4ccccc4c3Cl)C2)CN1 1772806087 SWYPBSJSOCCVBL-MRXNPFEDSA-N 336.844 2.646 0 50 EFAA CCCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC 5868692 DFNWJFHZQWIUJO-HNNXBMFYSA-N 334.441 2.831 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(N)c1 5936278 LPGXRZNNOTVEDJ-UHFFFAOYSA-N 339.424 2.795 0 50 EFAA CSc1ncccc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 12206568 ONZDTRMMVGIFGZ-OAHLLOKOSA-N 328.437 2.887 0 50 EFAA O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)c(Cl)c1 6699234 YHLXHWJTKKXUFX-UHFFFAOYSA-N 345.226 2.771 0 50 EFAA Cc1cccc(C(=O)Nc2cnc3sc(C(C)C)nn3c2=O)c1 14291587 PNBHLLSWBXWYBK-UHFFFAOYSA-N 328.397 2.835 0 50 EFAA Brc1ccc([C@@H](c2ccccn2)N2CCNCC2)cc1 19932811 OTZYWAILPKQROF-INIZCTEOSA-N 332.245 2.839 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1=Cc2ccccc2OC=C1 219575770 CYQVHRJCMPNPGR-FUHIMQAGSA-N 348.402 3.000 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cccc3cccnc23)C[C@@H]1c1ccccn1 219753861 PMLTWOZOAKRSAI-HOTGVXAUSA-N 347.374 2.570 0 50 EFAA O=C(C[C@]1(C(=O)O)CCOC1)N1CCC[C@@H]1CCCc1ccccc1 634918514 SNABFPDYWBLGLQ-FXAWDEMLSA-N 345.439 2.882 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCC[C@H](c3nccn3C)C2)c1 365647911 GLQRWIDWVSTWNX-KRWDZBQOSA-N 326.444 2.502 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 261754554 PFOLWVDMDVHEHM-LLVKDONJSA-N 339.775 2.928 0 50 EFAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cc(Cl)cc(Cl)c1 262998436 QXYQNKMKKJTAMQ-CYBMUJFWSA-N 346.210 2.851 0 50 EFAA CN(c1cccc2cc[nH]c12)S(=O)(=O)c1cnn(C2CCC2)c1 901944599 JKVDPGUOKKJRBM-UHFFFAOYSA-N 330.413 2.915 0 50 EFAA Cc1cccc2c(N[C@@H]3CCOC4(CC(C(=O)O)C4)C3)ncnc12 910488351 QQWNFQXKRWLKSQ-YNAXMUEKSA-N 327.384 2.763 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNc3nc4cc(F)ccc4o3)C2)n1 952849935 VZTGEYMIZWPBNP-OPQQBVKSSA-N 332.335 2.625 0 50 EFAA CCCOCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 952994938 XESCMORSGOWETN-LJQANCHMSA-N 333.428 2.966 0 50 EFAA Cc1nccn1CCCC(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 1875274408 IIBBJDCGJBAWSV-KRWDZBQOSA-N 346.862 2.798 0 50 EFAA CC1(C(=O)Nc2ccc(OCc3ccccc3)nc2)CCNCC1 1875315148 JTQLJIMBKKBAOS-UHFFFAOYSA-N 325.412 2.989 0 50 EFAA NC(=O)c1cccc(-c2nc(-c3cn(CCCCF)nn3)cs2)c1 887402121 RXMWLKCTEKPYKJ-UHFFFAOYSA-N 345.403 2.917 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)Nc3cccnc3)CCO2)cc1OC 1773302039 FEVQLYFFAXXXQD-KRWDZBQOSA-N 343.383 2.704 0 50 EFAA CCc1nc(NCC2(S(C)(=O)=O)CC2)c2scc(C)c2n1 1775989169 GAWRKLXSOHGFPU-UHFFFAOYSA-N 325.459 2.551 0 50 EFAA CO[C@H](C)c1ncc(C(=O)O[C@@H](CNC(C)=O)c2ccccc2)s1 2325745737 NMXCQHMOFKJERY-RISCZKNCSA-N 348.424 2.885 0 50 EFAA C[C@@H]1CCCc2c(C(=O)NC3CCN(c4ccccn4)CC3)cnn21 2325792516 MBQPWTDZELULMY-CQSZACIVSA-N 339.443 2.574 0 50 EFAA CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)c3nc([C@H](C)O)n[nH]3)cc2C1 2325803985 NPVGSUORNPKUON-GARJFASQSA-N 348.472 2.925 0 50 EFAA O=C(O)[C@@H](Cc1cncc(F)c1)NCc1cncc2ccccc12 2325851450 ZWFPUQZYZSJLSG-QGZVFWFLSA-N 325.343 2.554 0 50 EFAA COc1cccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 391427 RFUIOZGGTKVDGL-UHFFFAOYSA-N 328.755 2.941 0 50 EFAA O=C(c1ccc(Cl)c(O)c1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356170263 HCXFNSSQIIQWDX-SFHVURJKSA-N 348.830 2.805 0 50 EFAA Nc1nnc(-c2ccc(-c3ccc(-c4nnc(N)o4)s3)s2)o1 2931182 NNAUSRAOWGDMJG-UHFFFAOYSA-N 332.370 2.741 0 50 EFAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 248656588 WOIBWJOOJAYDQY-SQWLQELKSA-N 346.789 2.925 0 50 EFAA CCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2C)c2cc(C)ccc21 4857202 PITVPLWTRZRZPE-MRXNPFEDSA-N 347.418 2.935 0 50 EFAA C[C@H](NC(=O)N(C)Cc1cnc(N(C)C)nc1)[C@@H]1C[C@H]2CC[C@H]1C2 110712092 SHCBCTJANCVSJC-SDADXPQNSA-N 331.464 2.509 0 50 EFAA CCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 9224776 YGQZQJODLZGDGM-GFCCVEGCSA-N 344.440 2.970 0 50 EFAA Cc1cc(N2CCN(C)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 9303040 OPEZNAHXVZFRAU-UHFFFAOYSA-N 339.418 2.904 0 50 EFAA O=C(NCCCc1c[nH]c2ccccc12)N1CCCC2(C1)OCCO2 133024976 VKEWYGYZPFWCAH-UHFFFAOYSA-N 343.427 2.649 0 50 EFAA CCCn1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c(C)n1 23128570 FIDWVZVRZUXDAP-FQEVSTJZSA-N 348.535 2.803 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cc(O)n[nH]1 67459848 NLJSJMBSGBWVTD-UHFFFAOYSA-N 346.293 2.511 0 50 EFAA Cc1ccc2nc(C)c(C(=O)NCc3nnc(-c4ccccc4)o3)n2c1 65371731 IUFVDSZJKOHPAO-UHFFFAOYSA-N 347.378 2.931 0 50 EFAA O=C(CCc1nc(C2CCCC2)no1)N1CCC(n2cccn2)CC1 135361220 QJLAVVZUSQZACR-UHFFFAOYSA-N 343.431 2.720 0 50 EFAA CCC(CC)CN1CC2(CCN(C(=O)[C@H](CC)OC)CC2)OC1=O 77287622 VUSNTQQKRYHHPP-HNNXBMFYSA-N 340.464 2.661 0 50 EFAA COC(=O)[C@@]1(CCNCc2ccccc2)CCN1C(=O)OC(C)(C)C 214469363 ZTKMFIMFGUOZOP-LJQANCHMSA-N 348.443 2.719 0 50 EFAA CC[C@H](NC(=O)c1ccc(N(C)CCO)cc1)c1ccc(C)cn1 219495952 DYQAEFXSXQRFEW-KRWDZBQOSA-N 327.428 2.700 0 50 EFAA C[C@H](NC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C)c1ccc(-n2ccnn2)cc1 252513366 YZDTVXJWGSGUFV-XUWVNRHRSA-N 341.459 2.706 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 229930088 ISTPASGOPRTDMH-JCGIZDLHSA-N 339.439 2.623 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCS[C@@H]3COCC[C@H]32)cc1 230126824 NRYWIDCSXQVBME-IAGOWNOFSA-N 345.468 2.792 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 253394841 AUGYUEABQGBNKS-ZNMIVQPWSA-N 343.345 2.707 0 50 EFAA Cc1ccnc(N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)n1 328625125 CTPGNNUYKWNFPC-HNNXBMFYSA-N 326.448 2.717 0 50 EFAA O=C1NCCN(C(=O)c2ccc3ncsc3c2)[C@H]1c1cccs1 253432368 ZSDBBNRIZWHXAD-AWEZNQCLSA-N 343.433 2.671 0 50 EFAA O=C(NCc1ccnc2ccccc12)N[C@H](CO)Cc1ccccc1 153659981 VDRZZOWMUACACF-KRWDZBQOSA-N 335.407 2.638 0 50 EFAA CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(=O)[nH]n1 150780202 UQGDRDLSDDWZTM-UHFFFAOYSA-N 340.305 2.863 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)o1 77503636 NDESFQLJHQAHPB-GFCCVEGCSA-N 347.440 2.611 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)c1ccc(F)cc1 331718599 QFNNECHLMBJTHY-SDNTUTLCSA-N 348.418 2.721 0 50 EFAA O=C(O)CC1CCN(C(=O)CCCOc2ccc(F)cc2F)CC1 262404075 HYAYAYFCGSZAEI-UHFFFAOYSA-N 341.354 2.837 0 50 EFAA CCOC[C@H]1CCN(C(=O)c2ccc(-c3nnc(S)o3)cc2)C1 127593504 PJDAUQBVGXDTQA-NSHDSACASA-N 333.413 2.524 0 50 EFAA FC1(F)CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 216315049 DFVJFFDPPPZDIM-UHFFFAOYSA-N 340.414 2.629 0 50 EFAA CC(C)c1nccc(-c2nccn2CCC(=O)Nc2nccs2)n1 77453639 CLDVZSWJRUTNGP-UHFFFAOYSA-N 342.428 2.949 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1cc(I)cc(C(=O)O)c1 237508669 IXVJQWGWEPOKBS-LDWIPMOCSA-N 345.136 2.584 0 50 EFAA CC[C@H](NC(=O)C(=O)Nc1cnc(Cl)c(C)c1)c1ccccc1O 129093471 KUOHMVAJRYSUPD-ZDUSSCGKSA-N 347.802 2.955 0 50 EFAA Cn1ccnc1[C@@H](NC1CC(O)(Cc2cccc(F)c2)C1)C1CC1 372421318 KIALJQXMOBKIQH-HFCFLWKCSA-N 329.419 2.736 0 50 EFAA COc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)cc1OC 262309348 YSZSVCIWJDZVNA-HNNXBMFYSA-N 341.363 2.528 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1O 72128083 ZDWOWWMGPVRKBU-OAHLLOKOSA-N 345.830 2.835 0 50 EFAA C[C@@H]1CN(Cc2nc(O)c3c4c(sc3n2)CCC4)C[C@@H](C2CC2)O1 376439034 AITFERWDWRPBSM-MFKMUULPSA-N 345.468 2.885 0 50 EFAA O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)c1n[nH]c2c1CCC2 215324112 HJKHXAHVUDYJDR-LBPRGKRZSA-N 344.846 2.808 0 50 EFAA COc1cc(OC2CC2)ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 457086600 IWBGLJVMHRGUBI-CQSZACIVSA-N 332.444 2.791 0 50 EFAA NC1CC(c2cc(NCc3cccc(CN4CCCC4)c3)ncn2)C1 223718486 OJCAMTWVKVFQMT-UHFFFAOYSA-N 337.471 2.889 0 50 EFAA CCCc1cc(C(=O)NC[C@@](C)(O)c2ccc(Cl)cc2)n(C)n1 82138890 WVPZDMZRPCQNIM-QGZVFWFLSA-N 335.835 2.664 0 50 EFAA CCc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82121985 BDXPHKBMPFRCBA-OAQYLSRUSA-N 344.499 2.836 0 50 EFAA Cc1nn(CCO)cc1CN(C)Cc1ccc(C(F)(F)F)cc1 223345417 YZAZBALHAWGFKN-UHFFFAOYSA-N 327.350 2.835 0 50 EFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc2ncccc2c1 222811743 JFIRXWJPABCCCT-GOSISDBHSA-N 339.439 2.608 0 50 EFAA COCCOCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 223506799 NXYJKPKJZLCZKT-KRWDZBQOSA-N 334.803 2.604 0 50 EFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCc1noc2c1CCCC2 287979115 JFOIGBARHBPOAV-DYVFJYSZSA-N 343.427 2.865 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1cccc(C)c1)N(C)C 92081385 YCEBRCXUTRBLMV-SFHVURJKSA-N 328.460 2.863 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C(=O)O 91595558 BXFAWIXZYUJMQZ-ZWKOTPCHSA-N 338.407 2.649 0 50 EFAA O=C(CCc1nc(C2CCCC2)no1)NCc1ccn2ccnc2c1 178380118 IGFMNHBVKFCSQJ-UHFFFAOYSA-N 339.399 2.624 0 50 EFAA CC(C)c1nc(CCNC(=O)Nc2cccc3nn(C)nc23)cs1 97578560 BOZVAJNYYZKGKU-UHFFFAOYSA-N 344.444 2.912 0 50 EFAA COc1cc(NC(=O)NCC[C@H]2CCCN2C)c2ncccc2c1 95502722 ROPAXQQTKUGKDC-CQSZACIVSA-N 328.416 2.849 0 50 EFAA O=C(NC1(C(=O)O)CCOCC1)c1ccc(-c2ccccc2Cl)o1 95516678 DOYVTQMVDIUCSD-UHFFFAOYSA-N 349.770 2.964 0 50 EFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C)c(OC)c1 96130903 UDWZIKJUPJCRJV-ZDUSSCGKSA-N 347.419 2.514 0 50 EFAA O=C(CSCC1CC1)NCc1noc(-c2c(F)cccc2F)n1 240662374 PKLZZCPJUCANFP-UHFFFAOYSA-N 339.367 2.774 0 50 EFAA Cc1cccc2c(O)c(C(=O)N3CCC[C@@H](n4cccn4)C3)cnc12 163029617 AVVILCFFBQJQLR-CQSZACIVSA-N 336.395 2.923 0 50 EFAA Cc1nc(C(=O)N2CCCCC2)cc(N2CCc3ccccc3C2)n1 242758792 DLEOKGVFVJZFDP-UHFFFAOYSA-N 336.439 2.974 0 50 EFAA CC(C)c1ccc(OCCNS(=O)(=O)[C@H]2CCO[C@H](C)C2)cc1 295230743 SQOQZLMAZXIGAL-PBHICJAKSA-N 341.473 2.676 0 50 EFAA COCc1noc([C@H](C)N2CCC(Oc3ccc(F)cc3)CC2)n1 181888320 FXINFCQPVAAEMD-LBPRGKRZSA-N 335.379 2.960 0 50 EFAA COCCN1C[C@H](Cc2cc(C)nc3c(F)cc(F)cc23)CC1=O 252484310 FUFGALLOYNTEEL-GFCCVEGCSA-N 334.366 2.859 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C)C1(C)C 252479606 BIMCKAUNAXMRPU-AWEZNQCLSA-N 331.391 2.522 0 50 EFAA COc1cc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)on1 184736164 CKWNAWTZABPSFU-LBPRGKRZSA-N 349.818 2.901 0 50 EFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1COc2ccccc2C1=O 184845941 MZZOKFHZFNYRTJ-BMFZPTHFSA-N 331.412 2.732 0 50 EFAA O=C1C[C@@H](C(=O)NCc2nc3ccccc3s2)C2(CCCC2)O1 299775612 LATQLEVAGLJTOA-NSHDSACASA-N 330.409 2.788 0 50 EFAA CN(C(=O)Nc1ccccc1OC[C@H]1CCCO1)C1CCOCC1 299774059 FQFLGLQLBYVXLB-OAHLLOKOSA-N 334.416 2.887 0 50 EFAA COc1cc(C)ccc1C(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 824539527 MDOQQVKSPFLKDS-AWEZNQCLSA-N 342.395 2.631 0 50 EFAA COc1nc(-c2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)n[nH]1 584900194 WJUYUIBTFIHAIE-VIFPVBQESA-N 343.412 2.736 0 50 EFAA Cc1c(C(=O)NCC2(c3ccccc3)CCN(C)CC2)ccn1C 584902414 TWNFEXQKWUDXOD-UHFFFAOYSA-N 325.456 2.727 0 50 EFAA Cc1ncc(C(=O)OCC(C)(C)ONC(=O)OC(C)(C)C)s1 888099435 KAVWPZKKVKLFQW-UHFFFAOYSA-N 330.406 2.843 0 50 EFAA COCC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 1191864594 RJZKGWXJDPXPDD-UHFFFAOYSA-N 335.828 2.667 0 50 EFAA CCCC[C@@H](NCc1cnc(N2CCOCC2)nc1)c1cccnc1 952975061 YEDUSUABWCNBLK-GOSISDBHSA-N 341.459 2.729 0 50 EFAA O=C1CCCN1CCCc1nc(-c2ccco2)nn1CC(F)(F)F 885939043 OIBPYRQXPBPWSE-UHFFFAOYSA-N 342.321 2.655 0 50 EFAA CC(=O)N1CCc2cc(C(=O)Nc3c(C(F)F)n[nH]c3C)ccc21 271264824 KGZUJDLBCAMIJT-UHFFFAOYSA-N 334.326 2.817 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccncc2)CC1 276094785 VXSOZETYFLPISN-SFHVURJKSA-N 339.443 2.995 0 50 EFAA O=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2n1CCC2 170600430 GPLRLRUHOVMDHX-UHFFFAOYSA-N 346.456 2.620 0 50 EFAA Cn1ncc2c(N3CCC[C@H]3c3nccc(C(F)(F)F)n3)ncnc21 664301423 URIHZRIXJHMCSO-JTQLQIEISA-N 349.320 2.514 0 50 EFAA CCc1ccc(CC(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 193136892 SRKNTUOOBLHSTD-UHFFFAOYSA-N 342.443 2.647 0 50 EFAA Cc1cc(OCC(=O)NOCc2ccc(C(F)(F)F)cc2)no1 746521783 GGDLYDGKZNBRKI-UHFFFAOYSA-N 330.262 2.629 0 50 EFAA C[C@H](C1CCN(Cc2nc(C(F)(F)F)no2)CC1)N1CCCC1 1506412806 PAWRMUYGYIFHLS-LLVKDONJSA-N 332.370 2.785 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)CCn1c(C)cccc1=O 1529181098 PVOIFUWYSGQYRB-UHFFFAOYSA-N 328.416 2.806 0 50 EFAA O=C(O)CNc1ccccc1C(=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 210153184 KOYJBHRQULPFAT-YDHLFZDLSA-N 326.396 2.515 0 50 EFAA COc1cc(F)c(CN(CCN(C)C)Cc2[nH]cnc2C)c(F)c1 1704311139 ZOOYTWFALCQLAG-UHFFFAOYSA-N 338.402 2.569 0 50 EFAA C[C@@H](CCNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)N(C)Cc1ccccc1 110681592 URTFBQOHNZUOPT-DZOHQFGASA-N 331.460 2.516 0 50 EFAA O=C(O)c1cccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 5864049 YLCBIJJSUFEITM-UHFFFAOYSA-N 335.425 2.632 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cn(Cc3ccccc3F)nn2)cs1 11844332 OIUPBPKSLIQJRL-SNVBAGLBSA-N 345.403 2.721 0 50 EFAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C=C/C(C)C)CC2 12035646 DULDTWOTUWZLSO-LXXRFIIISA-N 347.507 2.572 0 50 EFAA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CCN(C)CC1 12380601 YYHSSVIZIGMGGV-JTQLQIEISA-N 331.243 2.971 0 50 EFAA CC(=O)c1cccc(CN[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 12439909 DSICQNXEBUNRFO-HXUWFJFHSA-N 336.435 2.822 0 50 EFAA Cc1cc2c(cc1C)[n+](C[C@@H](O)COCc1ccccc1)cn2C 13154267 PQUKQFYAORHKTG-GOSISDBHSA-N 325.432 2.660 0 50 EFAA Cc1ccc2oc(C(=O)N3CCOC34CCN(C)CC4)c(C)c2c1 13730023 ZBJPZHBCFUZVKP-UHFFFAOYSA-N 328.412 2.944 0 50 EFAA c1cc(-c2cncnc2)cc(-c2ccn(CCCN3CCOCC3)n2)c1 19110780 GBSUAAWCJCIUIZ-UHFFFAOYSA-N 349.438 2.729 0 50 EFAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)CCc2cccc(O)c2)o1 1857528848 BVDXBIFBEHJEBJ-LIRRHRJNSA-N 341.411 2.808 0 50 EFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)n1 408031794 PSNSNPSCSKYJOV-NSHDSACASA-N 341.820 2.518 0 50 EFAA O=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 229902159 SSUFBEWHNXIAGC-BZZMCLGOSA-N 326.440 2.744 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2c(C)[nH]c3ccccc23)C1 644117485 BIWBNVAAOGHUDL-DYVFJYSZSA-N 338.411 2.731 0 50 EFAA O=C(O)CCN(C(=O)c1ccc(Cl)cc1F)C1CCOCC1 238074504 SEPNOQRNQQYORI-UHFFFAOYSA-N 329.755 2.575 0 50 EFAA CO[C@H](C)c1nc(CN2CCn3c(nnc3C(C)(C)C)C2)cs1 662242960 FUYLBVBWUPQCNB-LLVKDONJSA-N 335.477 2.755 0 50 EFAA CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(Cc3ccccc3F)CC2)C1 344021208 YTZBNOREIYAIBJ-INIZCTEOSA-N 346.446 2.912 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CC[C@H](c3nc(C)no3)C2)cc1 344875286 PNBIUHNNAWWNHF-AWEZNQCLSA-N 339.399 2.766 0 50 EFAA CC(C)(C)[C@H](CCO)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 164478155 FZIXFVZODVVILR-CABCVRRESA-N 326.481 2.965 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccncc3Cl)C1)CC2 1704306205 SJGDQSIECWWLLP-SFHVURJKSA-N 342.830 2.954 0 50 EFAA CC[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 863543788 YUOKHEJHYUZQRY-FHLIZLRMSA-N 328.460 2.731 0 50 EFAA COCCC1(CNC(=O)Nc2ccc(-n3ccc(O)n3)cc2)CC1 864057840 OCJRGMWVMCFTHP-UHFFFAOYSA-N 330.388 2.516 0 50 EFAA 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CC(C)[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ncnn1C 222598343 KVFHBHZGFAQAOD-KRWDZBQOSA-N 341.459 2.933 0 50 EFAA Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cnsn1 161527614 HYFSCIKXBBCTTA-UHFFFAOYSA-N 335.389 2.814 0 50 EFAA CCCC[C@H]1C=CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1 426425138 CWFKCIYUDGLLJI-SFHVURJKSA-N 341.455 2.891 0 50 EFAA O=C(NCCN1CCCC1=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 426465354 ZHLRJGQSFJTHIN-UHFFFAOYSA-N 348.406 2.582 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)c1nnc(N)s1 96140472 YYTBTPFJWVPCCO-UHFFFAOYSA-N 343.412 2.749 0 50 EFAA CCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 95521263 AYTNRYCWXXCPHJ-KRWDZBQOSA-N 349.494 2.838 0 50 EFAA O=C(NCCSc1ccccn1)[C@@H]1CCOc2ccccc2C1 95522057 CXQBKLVNDOAWAR-OAHLLOKOSA-N 328.437 2.931 0 50 EFAA Cc1nccn1Cc1nnc([C@H]2CCCN(C3CCCCC3)C2)n1C 95352231 UBTSSBNYFOISSO-INIZCTEOSA-N 342.491 2.880 0 50 EFAA Cc1cc(C)cc([C@H](C(=O)O)N2CCC(CN3CCCC3=O)CC2)c1 95368073 DCNJNASXZJYZPB-LJQANCHMSA-N 344.455 2.764 0 50 EFAA CC[C@@H](NC(=O)N[C@H]1CC[C@H](O)CC1)c1ccc2c(c1)OCCO2 245529782 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EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1cccs1 299742495 JQEJYNBRVYECKS-DGAVXFQQSA-N 336.457 2.643 0 50 EFAA COc1cccc(N2CCC(NCc3noc(C4CC4)n3)CC2)c1 824782236 WUMNNHOGKCFPPN-UHFFFAOYSA-N 328.416 2.714 0 50 EFAA CCCN1CC[C@@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1 584899268 QJNIHUDAURRRLR-GOSISDBHSA-N 344.503 2.619 0 50 EFAA COc1ccccc1Cc1nc([C@H]2CCOC2)n(CC(F)(F)F)n1 670461383 KRZVTAAZNXKHSP-LBPRGKRZSA-N 341.333 2.944 0 50 EFAA COc1ccc(NC(=O)c2ccccc2-c2nccn2C)c2nonc12 952873920 QSEYHKAQLBCCAD-UHFFFAOYSA-N 349.350 2.884 0 50 EFAA CC(C)C1=NO[C@H](C(=O)NCCc2csc(-c3ccncc3)n2)C1 952991682 REIFCHYLLDSKJM-HNNXBMFYSA-N 344.440 2.665 0 50 EFAA O=S(=O)(C[C@H]1CCC2(CCC2)O1)NC1(c2ccc(F)cc2)CC1 1475060095 JKSQZDLABJILKP-OAHLLOKOSA-N 339.432 2.836 0 50 EFAA CC(C)(C)OC(=O)N1CCC(c2cc3ncc(C=O)cn3n2)CC1 72194229 BQFXUUPFQAZHFC-UHFFFAOYSA-N 330.388 2.656 0 50 EFAA in-vitro Cn1cc([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nn1 1472329807 YHMWUPOMUKYXRU-HNNXBMFYSA-N 337.427 2.635 0 50 EFAA 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C=CC(=O)N1CC(C(=O)N2CCC[C@H](Cc3ccc(Cl)cc3)C2)C1 1875388138 ORQOAPRAAZGXDV-OAHLLOKOSA-N 346.858 2.766 0 50 EFAA CCc1nc(-c2cccc(NC(=O)NC[C@@H]3CCCCN3C)c2)no1 1875301350 GKMQTGHCMJXAKL-HNNXBMFYSA-N 343.431 2.905 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CCOC[C@@H]3CC3CC3)cc12 886469245 GDCSJLOTWQHLGC-LBPRGKRZSA-N 332.375 2.957 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1C[C@@]23CCCC[C@]2(CN(C)C3)C1 1775254323 VRYVASRKHBXNAI-GIVPXCGWSA-N 344.499 2.543 0 50 EFAA COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959886 FBCIJSARNNQSAH-APHBMKBZSA-N 348.878 2.831 0 50 EFAA C[C@H]1C[C@H](NCc2sc(Br)c3c2OCCO3)CCO1 1775997797 MPGFQGUHMLSUOL-DTWKUNHWSA-N 348.262 2.939 0 50 EFAA CC(C)c1n[nH]c(CNCc2c(Br)ccnc2F)n1 1775991435 DVEBLWSHUAQFQH-UHFFFAOYSA-N 328.189 2.515 0 50 EFAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cc(Br)cs1 263239932 RMEWBSNEOFNQDO-HTQZYQBOSA-N 332.219 2.836 0 50 EFAA COc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(OC)cc1Cl 264649 BMJCSHSYKKYZNO-JTQLQIEISA-N 333.837 2.920 0 50 EFAA COc1cccc2c1CCCN(C(=O)c1cnc3n[nH]c(C)c3c1)C2 2325702152 UYLUMZPHSDZYBT-UHFFFAOYSA-N 336.395 2.864 0 50 EFAA COC1(CNC(=O)N2CCS[C@@H]3CC[C@@H]32)CCC(F)(F)CC1 2325756527 QDPSGELYFIPEOL-NWDGAFQWSA-N 334.432 2.870 0 50 EFAA N[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)C1 2325789369 LTCRORNDSVSWTI-GXTWGEPZSA-N 344.846 2.742 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC[C@@]4(CCOC4)O3)cc2)c1C 2325791566 QIZOAQPRPNVUMR-HKUYNNGSSA-N 341.411 2.766 0 50 EFAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(C2CCCCC2)s1 2325804834 VIFQZMSVEDSPRT-LBPRGKRZSA-N 325.455 2.836 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)C1 855554737 XNHFIUUCGAVFFC-CRAIPNDOSA-N 330.428 2.643 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 219023114 IXDNSGBYZIIXMR-GUDVDZBRSA-N 349.434 2.535 0 50 EFAA O=c1c2ccccc2[nH]c(=S)n1C[C@@H]1COc2ccccc2O1 313971 FLCMAKAVYCIASK-LLVKDONJSA-N 326.377 2.899 0 50 EFAA COc1ccc(CN2CCC[C@@]23CCCNC3=O)c(Cl)c1OC 2356146893 ZEFPPLBRBQEAFL-QGZVFWFLSA-N 338.835 2.602 0 50 EFAA CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1 6706733 QUXGUPFUXURYDL-UHFFFAOYSA-N 335.381 2.757 0 50 EFAA Cc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 6714897 LBWVREOTAAHOFB-UHFFFAOYSA-N 330.453 2.647 0 50 EFAA CCN1C[C@H](C)N(C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C 341909582 PKALUKRACMGSBM-IRFCIJBXSA-N 345.531 2.692 0 50 EFAA Cc1cccc(CN2CCN(CCc3ccccc3)C[C@@H]2CCO)n1 23375256 OLQKGMNMRITFMZ-NRFANRHFSA-N 339.483 2.501 0 50 EFAA CCOc1ccc(CN(CCOC)C(=O)c2ccnc(NC)c2)cc1 55133153 OTWVTQMYOIGVNE-UHFFFAOYSA-N 343.427 2.811 0 50 EFAA Cc1cc(NCCN2CCC[C@@H](CO)C2)nc(-c2ccccc2)n1 65409775 RKGMXFOPHZMKFN-MRXNPFEDSA-N 326.444 2.568 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)[C@@H]2COc3ccccc3O2)o1 134024266 WOZMFBFFNXQCLC-KDOFPFPSSA-N 343.379 2.582 0 50 EFAA CCN(C(=O)CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O)C1CCCCC1 247968712 XTSKYUNQURGXGG-RTBURBONSA-N 349.519 2.643 0 50 EFAA Cc1nc(NC[C@@H](c2cccnc2)N2CCOCC2)cc(C(C)C)n1 65408590 JJWFPVGUJFOIQD-SFHVURJKSA-N 341.459 2.789 0 50 EFAA CCN1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)cnn23)CC1 21799073 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327.428 2.791 0 50 EFAA Nc1nc(NC[C@H]2SCCc3ccccc32)cc(-n2cccn2)n1 357242074 BAVXIHJDGPTUTD-CQSZACIVSA-N 338.440 2.687 0 50 EFAA COc1cc2c(cc1CN(C)CC[C@@H](O)c1ccccc1)OCO2 215054506 MMHMRDCSUPCKND-MRXNPFEDSA-N 329.396 2.979 0 50 EFAA CC(C)COC1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 171158188 NDXHGINZFJCANG-UHFFFAOYSA-N 343.431 2.936 0 50 EFAA CCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72422194 KLADALRXYOJULI-NSHDSACASA-N 341.440 2.997 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cncn2-c2ccccc2)Cc2ccccc21 374174721 KWOMSFRVQFXQBQ-KRWDZBQOSA-N 347.374 2.697 0 50 EFAA Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 34782359 SCDXRVSGIAKNJZ-UHFFFAOYSA-N 330.453 2.598 0 50 EFAA CC[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1 77319945 MBYYCQPATKXBAN-SFHVURJKSA-N 349.906 2.859 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](O)C2)nc(-c2ccc(Cl)cc2)n1 156542517 OYTMVPSXVVACGQ-CQSZACIVSA-N 331.803 2.702 0 50 EFAA CC(C)Cc1nc(CN(Cc2cccnc2)C2CCN(C)CC2)no1 72153581 ZFOZIDVAWSVELL-UHFFFAOYSA-N 343.475 2.760 0 50 EFAA 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CO[C@@H]1CN(c2c(C)c(C)nc3ccccc23)C[C@H]1c1cn(C)nn1 1775959073 GICJKANUJUSMJO-MAUKXSAKSA-N 337.427 2.599 0 50 EFAA CCc1ccc2ccccc2c1CNC(=O)[C@H]1NCc2ncncc21 1775962451 LGHZLJIVPQBYHJ-IBGZPJMESA-N 332.407 2.653 0 50 EFAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1 105916 GEFGCTKYAOXECH-QGZVFWFLSA-N 327.380 2.960 0 50 EFAA Cc1ccc(-n2nc(C)c(C(=O)Nc3cccc(CN)c3)n2)c(C)c1 2325745384 UFMNYSRMAFOQKA-UHFFFAOYSA-N 335.411 2.904 0 50 EFAA CO[C@@H]1CC[C@@H]1CC(=O)N1CCC(c2ccccc2C(=O)O)CC1 2325802983 IIPCHHHTXZNSDX-RHSMWYFYSA-N 331.412 2.906 0 50 EFAA O=C(O)C1(C(=O)NCc2ccc(-n3ccnc3)cc2)CCCCCC1 852950662 KYSIWBJYCJFDIR-UHFFFAOYSA-N 341.411 2.914 0 50 EFAA CN=c1[nH]c(=NC[C@@H](OC)c2ccc(Cl)cc2)[nH]c2ccccc12 2325853673 YPQCVTDMPIQLHF-MRXNPFEDSA-N 342.830 2.968 0 50 EFAA CCOC(=O)c1c(NC(C)=O)sc(C(=O)N(CC)CC)c1C 474193 WYLWTUOOPWZKAJ-UHFFFAOYSA-N 326.418 2.674 0 50 EFAA COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 619179 ULFOGHHCJOEDMS-UHFFFAOYSA-N 341.392 2.504 0 50 EFAA Cc1cc(CNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)nc(C)n1 458761362 LQEZYGIWQRDECM-QGZVFWFLSA-N 344.390 2.516 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2nc3ncccc3o2)C1=O 2356169059 KBKLLRMQEMAONM-SFHVURJKSA-N 328.416 2.590 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348246692 QBYHPKHAYQWAPQ-DLBZAZTESA-N 347.361 2.850 0 50 EFAA CN1CCN(NC(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 4983260 FRRCMSRUTZSBHH-UHFFFAOYSA-N 341.484 2.879 0 50 EFAA Cn1c(=O)n(C)c2cc(CNCCc3c[nH]c4ccccc34)ccc21 4993760 OPKALLHLOIENOE-UHFFFAOYSA-N 334.423 2.691 0 50 EFAA CN(C)c1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 101129364 NZXJUORMBNXXAF-MRXNPFEDSA-N 327.359 2.636 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2cc(Cl)ncn2)CC1 225419789 CLKRSMPZGIZCNE-HUUCEWRRSA-N 342.830 2.582 0 50 EFAA C[C@H]1CN(C(=O)COc2cccc(C=O)c2)C[C@H](c2ccccc2)O1 113155926 UDDPKOKSFGRJLD-HNAYVOBHSA-N 339.391 2.867 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H](C)N1C(=O)OC(C)(C)C 114277474 RHCQYPLQJVSIMR-TXEJJXNPSA-N 337.395 2.691 0 50 EFAA 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0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 182112026 WKTPICGZRSKZMB-LLVKDONJSA-N 339.321 2.894 0 50 EFAA NC[C@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299738837 HBRFHXXVQRHRSC-MRXNPFEDSA-N 340.423 2.565 0 50 EFAA C[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1 534650132 PNHZFLGJBZJNTJ-OAHLLOKOSA-N 331.460 2.766 0 50 EFAA CCCn1ccnc1CNC1CCN(C(=O)c2cccs2)CC1 534591688 GRFDZCDWXNMURT-UHFFFAOYSA-N 332.473 2.749 0 50 EFAA O=C(NCCc1cnccn1)[C@H](c1ccc(F)cc1)N1CCCCC1 299776165 NVILERHLDBCAKN-SFHVURJKSA-N 342.418 2.502 0 50 EFAA CS(=O)(=O)CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 298534065 XBMRAQRNFREUGI-UHFFFAOYSA-N 341.448 2.922 0 50 EFAA CCc1nc2cc(NC(=O)N(C)[C@@H]3CCN(C)C3)ccc2n1CC 299769017 LEBHOVKTJSYNJH-CQSZACIVSA-N 329.448 2.786 0 50 EFAA CC(C)Cc1nc(CCCN2CCCCC2=O)n(CC(F)(F)F)n1 821477561 CHBLJOFBZGXMLI-UHFFFAOYSA-N 346.397 2.984 0 50 EFAA CCc1nccn1CCCNCc1cc2c(cc1OC)OCCCO2 952974022 HNLIKWHVHRFVEF-UHFFFAOYSA-N 345.443 2.795 0 50 EFAA CCc1nc(C)c(C(=O)Nc2cc(-n3cnnc3)ccc2OC)s1 952978084 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2.884 0 50 EFAA CSc1cc(O)ccc1NC(=O)[C@H]1COCCN1CC1CCC1 191551869 CFHWIQDJPXDUSO-OAHLLOKOSA-N 336.457 2.554 0 50 EFAA C[C@@H](c1nnnn1C1CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 191952667 ZCYMOEYASYCITL-NHYWBVRUSA-N 333.823 2.796 0 50 EFAA CCCOc1ccc(/C=C/C(=O)N2CCOC[C@@]23CCOC3)cc1 194413153 QGSSGYZOPUYURK-MEQKGCOVSA-N 331.412 2.507 0 50 EFAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2ccccc2c(=O)[nH]1 195638676 WSOWLXVBJQKKIB-KFWWJZLASA-N 341.455 2.624 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3ccc(Cl)cn3)C2)N1Cc1cscn1 222366750 QYBJPWCVPNQAPC-RISCZKNCSA-N 348.859 2.819 0 50 EFAA COc1ccc(CN2C(=O)O[C@H]3CN(C4CCCC4)C[C@H]32)cc1OC 207993042 AZUFUPAZZAWIGG-QAPCUYQASA-N 346.427 2.651 0 50 EFAA CCC[C@]1(C(=O)O)CCN(CCOc2ccc(Cl)cc2)C[C@@H]1O 1704330008 SRBPKAYENMBQNB-RDJZCZTQSA-N 341.835 2.657 0 50 EFAA Cc1cc(N2CCC([C@@H](O)CO)CC2)nc2cc3c(cc12)CCC3 1772700936 KBFGFXRRWBCMNH-IBGZPJMESA-N 326.440 2.602 0 50 EFAA O=C(c1cc(Cl)ccc1F)N1CCCN(c2cnccn2)CC1 1772819005 NLPLDHDUMPJXNC-UHFFFAOYSA-N 334.782 2.622 0 50 EFAA CCS[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 1772700548 GSFXBKFDNHQHGQ-LLVKDONJSA-N 344.864 2.749 0 50 EFAA CCCn1cc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3)C2)c(C)n1 11843423 SWGCZXZGIOLDJT-HXUWFJFHSA-N 344.503 2.940 0 50 EFAA CNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12206063 SBQZIAOSSSBTJO-HNNXBMFYSA-N 336.439 2.595 0 50 EFAA CC(C)N(Cc1cn(C)nc1-c1ccccc1F)C[C@@H]1CCC(=O)N1 12763153 IYJQKZGBLULAIM-HNNXBMFYSA-N 344.434 2.715 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccccc2O)n1CC(C)C 13945025 JGUDCAOAACQGAV-UHFFFAOYSA-N 334.445 2.933 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCC[C@@H]1C)C2 14958010 HTIMQIGUEUFHPG-QWRGUYRKSA-N 349.456 2.638 0 50 EFAA CC(C)(CO)CN[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 15063652 ZYWWRSDMUAQQPD-ZDUSSCGKSA-N 331.382 2.677 0 50 EFAA OCC[C@@H]1CN(Cc2ccoc2)CCN1CCCc1ccccc1 19791486 OJQJOKUPURBAFN-HXUWFJFHSA-N 328.456 2.781 0 50 EFAA Cn1cc(Br)c(CNc2cccc([C@H]3CCC(=O)N3)c2)n1 1857530505 FUVODPJVFKIPSN-CYBMUJFWSA-N 349.232 2.746 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2CCn2cccn2)nc2ccccn12 1857668426 YNJARTHTDQZUEM-INIZCTEOSA-N 337.427 2.924 0 50 EFAA Cc1ncccc1C(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857709063 BPSVWXBFZGVCTE-NVXWUHKLSA-N 346.471 2.951 0 50 EFAA Cc1cc(=O)c(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c[nH]1 1875245984 VVBPARYUTHKEBU-MOPGFXCFSA-N 340.423 2.922 0 50 EFAA Cn1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc2ccc(Cl)cc21 225552787 VBYLBTGWLKMDHR-JKSUJKDBSA-N 341.798 2.615 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](C(=O)O)C1 237541052 ICKJVOXEATYAJL-PWSUYJOCSA-N 329.318 2.817 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cccc3nccnc23)c1 337525423 XNDBYVHEEAZJSE-KDOFPFPSSA-N 349.390 2.587 0 50 EFAA Clc1cccc(CN2CCN(c3ncnc4[nH]ccc34)CC2)c1 339236581 WTZHTUZSEKCOCF-UHFFFAOYSA-N 327.819 2.934 0 50 EFAA COc1ccc(CC(=O)Nc2nc3ccc(Cl)cn3n2)cc1F 157097463 FUPDZVBIENKGCQ-UHFFFAOYSA-N 334.738 2.712 0 50 EFAA O=C(NC1CCN(c2nccs2)CC1)N1C[C@H]2CCCC[C@H]2C1 374196753 CKXLLDASGIFAAJ-OKILXGFUSA-N 334.489 2.944 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NC[C@H](c2ccccc2)C2CC2)C1 263120345 CGJRTCQCBIPGRA-XOKHGSTOSA-N 330.428 2.932 0 50 EFAA O=C(O)c1ccnc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 263433574 UMLDUCLLHQFXLL-INIZCTEOSA-N 340.379 2.601 0 50 EFAA CN(C)C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 390833700 LRNZFICXNGSWDV-UHFFFAOYSA-N 346.349 2.636 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 902013469 BNYUKTOPZOFVJI-ZBFHGGJFSA-N 339.395 2.951 0 50 EFAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C(F)(F)F)c(F)c1 818311092 KUTUCPIPEQAEAW-AWEZNQCLSA-N 349.280 2.550 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2cn[nH]c2)c2ncccc12 827279203 UEAKSWFMMDMSJL-SCLBCKFNSA-N 336.395 2.774 0 50 EFAA CC(C)(C)c1nc(CN2CCN(Cc3ccc(O)cc3)CC2)co1 931517401 FWEDEOVBXDOBFS-UHFFFAOYSA-N 329.444 2.996 0 50 EFAA CCN(c1cnn(C)c1)S(=O)(=O)c1nc(C)oc1-c1ccccc1 952991727 DNURVVBWJPLCSS-UHFFFAOYSA-N 346.412 2.599 0 50 EFAA Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2cccc(C)c2F)o1 1875262886 DPAYEXCHHRKHAW-LLVKDONJSA-N 341.360 2.530 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875304047 XVGZDEUKWHXVBG-VIFPVBQESA-N 345.321 2.564 0 50 EFAA C/C(=C\C(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1)c1ccccc1C 886031122 SLEAHBICWHXBRL-GWKQRERASA-N 340.427 2.605 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2OCC2CC2)nn1 888078730 QTCIKCOJWBMAKN-MRXNPFEDSA-N 338.411 2.825 0 50 EFAA CS(=O)(=O)c1ccc(NC[C@]2(c3ccccc3)C[C@H](O)C2)cc1 895594973 IAAZORQIJRKDIS-SAABIXHNSA-N 331.437 2.595 0 50 EFAA CC1(C)C[C@@H](O)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 296996730 QCXKLIJGWULYEF-IBGZPJMESA-N 344.499 2.908 0 50 EFAA COc1ccc(C(=O)Nc2nc(C)c3cc4c(cc3n2)OCO4)cc1 1432196 XAESXNPBEDJXJH-UHFFFAOYSA-N 337.335 2.928 0 50 EFAA COc1c(C)[nH]ccc1=NC(=O)c1cnc(C)nc1-c1ccccc1 2100483226 CJQWYXRHVKJUBC-UHFFFAOYSA-N 334.379 2.838 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(C3(C)CC3)on2)c2ccccc2N(C)C1=O 2325767636 JIKBAEPZGFQUBM-GFCCVEGCSA-N 339.395 2.985 0 50 EFAA COc1cc(CN2C[C@@H]3CCCC[C@@H]3[C@H]2C(=O)O)cc2c1OCCO2 2325773425 WPXKNGKBVOUGOH-ZQIUZPCESA-N 347.411 2.542 0 50 EFAA Cc1c(C(F)(F)F)n[nH]c1CN1CCC2(CC1)CC(C(=O)O)C2 2325787259 NUWKALOROMBBGZ-UHFFFAOYSA-N 331.338 2.814 0 50 EFAA O=C(NCCc1ccoc1)c1cnc2cc(Br)ccn12 2325850090 LRJUMNDEBRIEGP-UHFFFAOYSA-N 334.173 2.662 0 50 EFAA O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1ccoc1)C1CC1 907821834 JRCKQVNTNUVHCZ-UHFFFAOYSA-N 347.436 2.751 0 50 EFAA COc1ccnc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 115998972 KORSJVFSJJJAKC-UHFFFAOYSA-N 339.395 2.969 0 50 EFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1 310988 JEAFFLIKEVULPB-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA CCc1oc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)cc1CN1CCCC1 2356164133 GOGKOBHWLNUDHO-OTVXOJSOSA-N 348.443 2.811 0 50 EFAA C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2)C1 10544125 FAGMJSGZQOPNBM-GJZGRUSLSA-N 342.480 2.613 0 50 EFAA COc1cccc(C(=O)N(C)C)c1OC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 245753244 XXHRJVZTIGJQOX-URLAMEQQSA-N 329.396 2.595 0 50 EFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1C[C@H]1OCCc2ccccc21 101271895 FLINENSKWZJVQL-OWCLPIDISA-N 331.799 2.818 0 50 EFAA CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)O1 246022143 KIBSQEPDKIOTCF-HFTRVMKXSA-N 344.455 2.658 0 50 EFAA CCNC(=O)N1CCC(NC(=O)[C@@]2(c3cccs3)CC2(C)C)CC1 67713973 PJBDIJIWVYOSMQ-SFHVURJKSA-N 349.500 2.726 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2ccccn12 20736500 TXFMLAHGDGYIBB-MRXNPFEDSA-N 338.367 2.585 0 50 EFAA O=C(c1cncc(F)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 119068936 ZGMVJWPSAQGQOB-CYBMUJFWSA-N 343.406 2.558 0 50 EFAA C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[C@H]1CCCO1 252487151 SPGOURXTEYSXDI-WBQNTZJQSA-N 336.407 2.913 0 50 EFAA Cc1cccc2c(CCNC(=O)[C@H]3CCCN3C(=O)C3CC3)c[nH]c12 71748955 GJSRTGNQFWCCEV-QGZVFWFLSA-N 339.439 2.536 0 50 EFAA CC(=O)c1ccc(NC(=O)CCN2CCO[C@H]3CCCC[C@H]32)cc1 230133473 DRMHPIVGWKMYRH-MSOLQXFVSA-N 330.428 2.861 0 50 EFAA CC(C)c1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)no1 77380264 FZJCGZRXLZVQJY-QGZVFWFLSA-N 337.383 2.704 0 50 EFAA CCCCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71416253 HWKLAOJIRNRKMQ-UHFFFAOYSA-N 345.443 2.795 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 77487692 TUDMNEYRUMWZHH-LJQANCHMSA-N 347.478 2.734 0 50 EFAA O=C(CCc1ncccn1)N1CCC(OCCc2ccccc2)CC1 360106194 XKXXUDYCQCVBKI-UHFFFAOYSA-N 339.439 2.660 0 50 EFAA CN(C)C/C=C/C(=O)N(C)CCCc1cc(-c2ccccc2)no1 363033182 IGVIANXKDLMCMR-XYOKQWHBSA-N 327.428 2.850 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(C)C1)CC(C)(C)O2 71385322 OWYFHFOLBDKMHL-XJKSGUPXSA-N 332.444 2.755 0 50 EFAA C[C@H]1CN(CCC2CCN(CC[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 125084340 VQHJOKNVJBIIKU-NSHGMRRFSA-N 337.552 2.682 0 50 EFAA Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(F)c1Cl 363765742 NIRGKWPPADGASS-AWEZNQCLSA-N 346.789 2.840 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1CN1CCOCC1 72127086 SIONCDBEGVWGGP-CQSZACIVSA-N 339.386 2.683 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 156148630 ZWMSMDMFLDDMHK-QWRGUYRKSA-N 331.243 2.958 0 50 EFAA C[C@H](Sc1ccccn1)C(=O)NCc1n[nH]c2c1CCCCC2 218810852 SYZZCKYRJCJETA-LBPRGKRZSA-N 330.457 2.871 0 50 EFAA Cc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)o1 371806499 GBWZSLXHAOEKLC-UKRRQHHQSA-N 330.432 2.842 0 50 EFAA COC(=O)c1cccnc1N(C)Cc1cnn(-c2ccc(F)cc2)c1 77458708 OGIROSNDXPMQQQ-UHFFFAOYSA-N 340.358 2.829 0 50 EFAA CCN(CCn1cccn1)C(=O)c1c[nH]c2cc(Cl)ccc2c1=O 215617220 XTDUMHVNVRSDEB-UHFFFAOYSA-N 344.802 2.540 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccccc1)c1nccs1 171713499 GVGHYIXRAKNRNM-CYBMUJFWSA-N 349.437 2.816 0 50 EFAA CC[C@H](NC(=O)c1cnn(C(C)C)c1)c1ccc(S(C)(=O)=O)cc1 77537396 XTEFBWJMVXCSRT-INIZCTEOSA-N 349.456 2.749 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCc2ccc(CO)cc2)c1 72421000 WKRLZRCYUQAETC-UHFFFAOYSA-N 327.424 2.812 0 50 EFAA C[C@@H]1Cc2ccccc2CN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 172911360 WGUPIIIGSFOLSE-KUHUBIRLSA-N 345.464 2.570 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 238086148 HUMLWKLFVVPMDE-HNNXBMFYSA-N 325.364 2.666 0 50 EFAA CCc1ccc2occ(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)c2c1 377323369 MJCRDNLGCCSDCD-AHIWAGSCSA-N 326.396 2.721 0 50 EFAA COc1cc2c(cc1CN1CCCC[C@H](N(C)C)C1)OCCCO2 82156892 GUEJDOLNJOCTAT-INIZCTEOSA-N 334.460 2.773 0 50 EFAA CSCc1nc(CNC(=O)CCc2c(C)nn(C)c2C)cs1 82107650 VWQOGLUEKLBJDS-UHFFFAOYSA-N 338.502 2.605 0 50 EFAA CSCCCNC(=O)[C@@H](Nc1ncnc2ccccc12)C(C)C 426643054 VCRJKDMUAMPAPL-HNNXBMFYSA-N 332.473 2.936 0 50 EFAA CC(C)c1nc(N2CCC3(CC2)Nc2ccccc2NC3=O)no1 82108826 FUMJRSCBZPBKTL-UHFFFAOYSA-N 327.388 2.596 0 50 EFAA Fc1cccc(O[C@@H]2COCC[C@H]2NC2CSCCSC2)c1 222783399 CTMAXZJTCOVREU-HZPDHXFCSA-N 343.489 2.800 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)CCN1C(C)C 85538292 YDAOCDPAHYFQKR-QGZVFWFLSA-N 330.476 2.848 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)o1 426430703 KIYLORBLQGBORX-AWEZNQCLSA-N 336.457 2.760 0 50 EFAA O=C(c1ccccn1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91649998 FJEQCSJDXCMZOM-KRWDZBQOSA-N 347.422 2.741 0 50 EFAA CN(CCC1(O)CCCC1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 96140832 KQQWEXPADBMPCW-UHFFFAOYSA-N 339.823 2.598 0 50 EFAA CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C3CCCC3)C2)s1 333653017 ZHSYSLMMTWSEFY-LBPRGKRZSA-N 327.471 2.804 0 50 EFAA NC(=O)c1ccnc(N2CCC[C@H](COc3ccc(F)cc3)C2)c1 95499104 KOJSOVFZQPSFFF-ZDUSSCGKSA-N 329.375 2.615 0 50 EFAA NC(=O)c1nc(CNC(=O)Nc2ccc(C3CCCCC3)cc2)no1 97696129 TTWHBFUSNUDFDT-UHFFFAOYSA-N 343.387 2.538 0 50 EFAA Cc1cnn(CCCNC(=O)C2CCN(C3CCCCC3)CC2)c1 95381151 ZMWXBBPNWUBFIX-UHFFFAOYSA-N 332.492 2.743 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)c(C)o1 91526551 ZNILKOBQXGFMCP-YJYMSZOUSA-N 334.460 2.663 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)on1 95378601 BQHSCZIZZHYWBI-INIZCTEOSA-N 345.443 2.685 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 179017328 VRRVVBBUACGYPV-GLQYFDAESA-N 337.261 2.621 0 50 EFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ccco2)CC1 96135904 QLUWOODTDCMBKP-UHFFFAOYSA-N 340.431 2.515 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95392709 OPDDYZQDJWNUNZ-INIZCTEOSA-N 341.411 2.755 0 50 EFAA CN1CCC[C@H](CCC(=O)NCc2nc(-c3ccccc3F)no2)C1 95380628 WEKDQHLEBVALSO-CYBMUJFWSA-N 346.406 2.614 0 50 EFAA C[C@@H]1CN(C(=O)c2cnc(C3OCCO3)s2)Cc2ccccc2O1 294320725 SJVOFFFVKUDFOH-LLVKDONJSA-N 346.408 2.612 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)COC[C@H]1CCCCO1 252485471 GWDCXFXENHFWHQ-QGZVFWFLSA-N 330.428 2.685 0 50 EFAA COC[C@@H]1[C@H](NC(=O)c2oc3cc(C)ccc3c2C)[C@H]2CCO[C@@H]12 1074562240 QIXABKTYRWBANL-GZOSKZMVSA-N 329.396 2.829 0 50 EFAA CC(C)[C@H](C(=O)N1CC(c2n[nH]c3c2COCC3)C1)c1ccccc1 1420654153 KGIFQNVSBMHTCN-SFHVURJKSA-N 339.439 2.848 0 50 EFAA Cc1cnn([C@@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)c1 952984373 ZZEDUXPRZUSQKN-AWEZNQCLSA-N 328.416 2.777 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)C2(N3CCCC3)CCCCC2)C1 952860182 HJHBYTXYINOHKI-KRWDZBQOSA-N 333.520 2.870 0 50 EFAA CCn1ccc2cc(C(=O)N[C@H]3CCOC[C@@H]3OCC3CC3)ccc21 1565514949 WDNQZXCIAMYEJS-HKUYNNGSSA-N 342.439 2.975 0 50 EFAA CC[C@H]1[C@H](NC(=O)c2cc(OC)nc3ccccc23)[C@H]2CCO[C@@H]12 1565507758 DJGUBPVUMFBPMS-DCONWNQBSA-N 326.396 2.787 0 50 EFAA Cc1cc(O)c(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cn1 269101441 UFLOLUVDWZTYHM-UHFFFAOYSA-N 345.830 2.707 0 50 EFAA CC[C@H]1CN(C)CCCN1C(=O)Cc1csc(-c2ccccn2)n1 408515619 IXXFESDFTMAXEW-HNNXBMFYSA-N 344.484 2.690 0 50 EFAA CCn1cc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cn1 408519815 CYUXHCMFTZYRAB-CQSZACIVSA-N 341.333 2.775 0 50 EFAA O=C(c1ccc(OCc2ccccc2)cn1)N1CC(OCC(F)F)C1 631611134 HTHLKOVFCBOHOC-UHFFFAOYSA-N 348.349 2.767 0 50 EFAA CCS(=O)(=O)c1ccccc1NCCc1cn2ccccc2n1 170604416 RKSDWXFJWGKQPT-UHFFFAOYSA-N 329.425 2.783 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N(C)CC1(O)CCCCCC1 187515879 SYZLNUBMLIIMSK-AWEZNQCLSA-N 335.448 2.878 0 50 EFAA Cc1cc(NC(=O)[C@H]2CCN(C)C2=O)ccc1Oc1ccncc1 683888075 ZSRIHZUWEGOQNF-OAHLLOKOSA-N 325.368 2.599 0 50 EFAA CCc1c(NC(=O)NCCO)cnn1-c1cccc(C(F)(F)F)c1 191597610 RHEWNJCBXJOXEN-UHFFFAOYSA-N 342.321 2.567 0 50 EFAA CC(=O)N1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CC1 193809396 AFYYZNSQPRXQNC-NSHDSACASA-N 341.814 2.804 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1[C@H]3CC[C@H]1[C@@H](C(=O)O)C3)CCC2 655544875 USIBMEHAGXYHMC-YVVXQTMVSA-N 329.396 2.579 0 50 EFAA Cc1cnccc1N1CCCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1775980984 FPDUPVYNXHAIRQ-GOSISDBHSA-N 344.503 2.549 0 50 EFAA COc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccc(F)cc1 5452009 HSBQXLCOVUFDAI-KRWDZBQOSA-N 328.343 2.558 0 50 EFAA O=C(CCn1cccn1)N1CCO[C@H](CCCc2ccccc2)C1 12475347 HAGZSQXSCVWZTN-GOSISDBHSA-N 327.428 2.524 0 50 EFAA CCCC(=O)N[C@@H](N1C[C@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 13551506 IJELYAPRVVJGHR-NGZCFLSTSA-N 331.671 2.708 0 50 EFAA CC(C)c1ccc(CN2CCC[C@@](O)(CNC3CCC3)C2=O)cc1 14954304 OXLZUSPWFVCCLZ-HXUWFJFHSA-N 330.472 2.806 0 50 EFAA O[C@H](COC1CCCCC1)CN1CCN(c2ccccc2F)CC1 16578641 XFQRGMPDUTWLCJ-INIZCTEOSA-N 336.451 2.658 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 16969884 AYEXSTRNLGYBSQ-BHOVCMIXSA-N 348.483 2.889 0 50 EFAA OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CCN1C1CCCC1 19219933 VYNIXHYYOWOCKZ-CQSZACIVSA-N 342.405 2.915 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCOC2(CCNCC2)C1 1857677772 CNTILNTXJCKIAS-IBGZPJMESA-N 340.471 2.605 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2ccoc2Br)n[nH]1 408469681 JDTHDSQULYPJAH-SNVBAGLBSA-N 339.193 2.836 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ncncc2Br)C1 225513118 HBKKQOAAQCSIFE-AAEUAGOBSA-N 338.180 2.691 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 229490196 HFFIWOWFWVNORA-NXHRZFHOSA-N 328.456 2.945 0 50 EFAA CCc1nn(C)cc1CN[C@H](c1nc(C(C)C)no1)C1CCOCC1 328621238 HPJOVLHEEMARJO-INIZCTEOSA-N 347.463 2.746 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 237058059 HYFMXDCIJBAVPM-GFCCVEGCSA-N 332.835 2.802 0 50 EFAA O=C(c1ccc2cncn2c1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 339936430 CASMBLNIBZSFOD-RHSMWYFYSA-N 343.333 2.561 0 50 EFAA CCC[C@H](NC(=O)[C@@H]1CNCCO1)c1cccc(C(F)(F)F)c1 155233024 CFYSDEREDAZYEW-KBPBESRZSA-N 330.350 2.651 0 50 EFAA O=C(COC1CCCCC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367631232 KMFMGVWJZXWAJQ-MJGOQNOKSA-N 331.456 2.960 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1C1CC1 262289050 ZZWWDNDPOXTMAT-SJORKVTESA-N 331.412 2.553 0 50 EFAA O=S(=O)(NCc1cn2c(n1)CCCC2)c1ccc2ccccc2c1 263750789 GPYATJOADKNIRM-UHFFFAOYSA-N 341.436 2.851 0 50 EFAA CCN(C(=O)Cn1ccc(C(=O)O)n1)[C@H](C)c1cc2ccccc2o1 908758036 YBXIKTPUBMZNTG-GFCCVEGCSA-N 341.367 2.937 0 50 EFAA CC[C@@](CNC(=O)c1ncc(C)cc1C)(C(=O)O)c1ccccc1 909843751 AVZNQGMXZVPOEK-IBGZPJMESA-N 326.396 2.861 0 50 EFAA C[C@H]1CCC[C@](O)(CNC(=O)Nc2c[nH]nc2-c2nccs2)C1 1875265228 WUEFHWBKONZIKI-ZUZCIYMTSA-N 335.433 2.596 0 50 EFAA O=C(O)c1ccc(/C=C/C(=O)N2CCC(c3ncco3)CC2)cc1 1875296676 IFSVGUJSYZZLBL-ZZXKWVIFSA-N 326.352 2.792 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CC(C(F)F)C3)C2)cc1 1875386942 GBQBWDOHZBPFAD-UHFFFAOYSA-N 334.366 2.953 0 50 EFAA O=S(=O)(NCc1cnc(O)c2ccccc12)[C@H]1CCC(F)(F)C1 1875320207 LFMVKPFUTIREGA-NSHDSACASA-N 342.367 2.548 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2ccc(C)cc2F)CC[C@@H]1C(F)(F)F 886034996 LXFKLHUMMUBGAX-BXUZGUMPSA-N 346.324 2.806 0 50 EFAA Cc1ccc(-c2nnc([C@H]3OCC[C@H]3Cn3cccn3)o2)c(C)n1 886096798 PWIRYUISNARUQW-ZFWWWQNUSA-N 325.372 2.723 0 50 EFAA CCn1cc(CC(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cn1 886697575 MWAPCHDTXIKOGM-LLVKDONJSA-N 333.819 2.911 0 50 EFAA NC/C=C/C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 888096805 RMMDABXPTIKWTC-NDRDAGNVSA-N 331.416 2.958 0 50 EFAA Cc1cn2cc(CC(=O)N3CC[C@@H](Cc4nccs4)C3)nc2s1 890205397 CADYNZUKSWDJMY-LBPRGKRZSA-N 346.481 2.794 0 50 EFAA CO[C@H](CS(=O)(=O)N(C)c1cccc(C)c1C)[C@@H]1CCCOC1 1775993535 FBHOKGYYHPKGLJ-NVXWUHKLSA-N 341.473 2.511 0 50 EFAA C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1n[nH]cc1Cl 1775985360 BRNUQFDJQTWTOL-AOUSDQRYSA-N 325.821 2.634 0 50 EFAA CCN(C(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2)c1ccccc1 459973 DTYANKZKMZCOQN-BEFAXECRSA-N 331.412 2.930 0 50 EFAA biogenic COc1ccccc1OCCn1c([C@H](C)NC=O)nc2ccccc21 4810224 DOHJFTDVZODKNB-AWEZNQCLSA-N 339.395 2.931 0 50 EFAA CCC[C@]1(C(=O)O)CCN(c2nnc(-c3ccccc3)s2)C[C@H]1O 2100545515 UCFBWFUQGHSIQJ-DYVFJYSZSA-N 347.440 2.647 0 50 EFAA O=S(=O)(Nc1cnn(C2CCC2)c1)c1cncc(C(F)F)c1 2325777550 KEWOADDONJZDTR-UHFFFAOYSA-N 328.344 2.742 0 50 EFAA O=C(O)[C@H]1CN(Cc2cc(-c3ccccc3)on2)C2(CCC2)CO1 2325783742 YRLUIKOEBQZNBG-MRXNPFEDSA-N 328.368 2.550 0 50 EFAA C[C@H](NCc1nn(C)c2c1COCC2)c1ccc(-n2cccn2)cc1 2325783869 IVEWPXWXBBZQQM-AWEZNQCLSA-N 337.427 2.529 0 50 EFAA O=C([C@H]1CCCc2cncn21)N1CC[C@H](COCc2ccccc2)C1 2325798580 CERLJJNKQCHWBY-PKOBYXMFSA-N 339.439 2.826 0 50 EFAA Cc1nc(O)c(C)c(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 2325802210 QGKVHHVJPMGNIB-AWEZNQCLSA-N 326.400 2.654 0 50 EFAA CC(=O)N1CCN(c2ccc(OC(=O)Cc3cccs3)cc2)CC1 5041161 XVUPFLZXJXHPHP-UHFFFAOYSA-N 344.436 2.565 0 50 EFAA Cc1cc(Br)c2c(c1)[C@@](O)(N1CCCC[C@@H]1C)C(=O)N2 311234 JOHVBSNOQSCAAQ-BONVTDFDSA-N 339.233 2.729 0 50 EFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 528490 HTMNVKOIWOOUCP-FQEVSTJZSA-N 339.391 2.911 0 50 EFAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC[C@@H]2CCCO2)CCCC1 571519 PQWLICSTABIMFW-IRXDYDNUSA-N 342.483 2.958 0 50 EFAA Cc1c(NC(=O)NCc2ccccc2)c(=O)n(-c2ccccc2)n1C 613639 RQYFASNNNMYYAN-UHFFFAOYSA-N 336.395 2.806 0 50 EFAA COc1cc(OC)c(OC)cc1CNC[C@@H]1COc2ccccc2O1 1889154 IMBQTQFQILWSGI-CQSZACIVSA-N 345.395 2.642 0 50 EFAA CN(C)c1ccc(-c2ccnc(N3CCC[C@H](c4nc[nH]n4)C3)n2)cc1 2356146356 CCOSISOUQNGLJQ-HNNXBMFYSA-N 349.442 2.712 0 50 EFAA COc1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1O 2356151824 BMRUCMXJLGTJKQ-IBGZPJMESA-N 330.428 2.520 0 50 EFAA Cc1nc(=NC[C@H]2CN(Cc3ccccc3)CCCO2)[nH]c(C)c1C 2356155134 YOYBKBDVCUPKGK-IBGZPJMESA-N 340.471 2.527 0 50 EFAA CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 6701365 GSEWOGWBTXDTDT-UHFFFAOYSA-N 335.425 2.915 0 50 EFAA O=C(CSC1=NCCS1)Nc1ncc(Br)s1 9193685 WPYTWSAXOOCBHF-UHFFFAOYSA-N 338.277 2.680 0 50 EFAA O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCOCC3)ncc21 9287273 MVMGNZWFFRKVML-LBPRGKRZSA-N 345.349 2.504 0 50 EFAA Cc1nn(C)c(Cl)c1CNCC1(N2CCCCC2)CCOCC1 111404015 DVNNOVMLWUYOHN-UHFFFAOYSA-N 340.899 2.507 0 50 EFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 59749512 TVTNNCOGWAYPDW-UHFFFAOYSA-N 333.432 2.808 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2)no1 343590755 AILBOZABANPSRQ-KRWDZBQOSA-N 348.358 2.993 0 50 EFAA C[C@H](NC(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccccc1 462187864 JCRLWEDAMAEHLV-AWEZNQCLSA-N 341.386 2.945 0 50 EFAA O=C1OCCN1Cc1nc(C2CC2)nn1-c1cccc2cccnc12 65466757 IPULHNLIKNJXQG-UHFFFAOYSA-N 335.367 2.645 0 50 EFAA CCN(CCOc1ccc(OC)cc1)C(=O)c1cc(C)nc(C)n1 65432600 BJUCHZRZYJRWQY-UHFFFAOYSA-N 329.400 2.643 0 50 EFAA O=S(=O)(N1CCCCC1)N1CCn2cccc2[C@H]1c1ccccc1 26811368 HVEANFQCESNTLY-GOSISDBHSA-N 345.468 2.624 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 134449313 WCFSAUXAYMEWLM-INIZCTEOSA-N 340.427 2.823 0 50 EFAA O=C(CCc1ccc2c(c1)CCO2)NC[C@@H]1CCCN2CCCC[C@@H]12 170613704 UHDLBSVWLKMWNJ-OALUTQOASA-N 342.483 2.935 0 50 EFAA CN(c1cccc(C(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O 65364526 NAPHVWYYPUOTDM-UHFFFAOYSA-N 338.816 2.988 0 50 EFAA CC[C@H](C(=O)N1CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 65364343 WDCOJZHEQWMVJC-MRXNPFEDSA-N 338.473 2.552 0 50 EFAA C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 35093004 WERHEAMZFYEFSA-LZQZEXGQSA-N 336.451 2.514 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CCOC[C@H]1c1nnc(C)o1 328611122 KNFGHLFWMVWAEC-ZDUSSCGKSA-N 341.367 2.900 0 50 EFAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(N2CCCC2=O)ccc1Cl 252539008 NRPWBCBQLJUKDS-BETUJISGSA-N 346.814 2.803 0 50 EFAA CO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)cs1 252513334 YLVHNNAXXXGWNN-ARLBYUKCSA-N 349.500 2.541 0 50 EFAA CN(C)CCCOc1cccc(CN2[C@H]3CC[C@@H]2CCN(C)C3)c1 216343489 AUHRTPKWPZIMME-MOPGFXCFSA-N 331.504 2.686 0 50 EFAA COc1ccccc1C(=O)N1[C@H](C(=O)NC2CC2)C[C@H]2CCCC[C@H]21 252517813 RUMOJFUKLXUBCD-XYPHTWIQSA-N 342.439 2.747 0 50 EFAA COC(=O)Cc1occc1C(=O)N[C@H]1CCCc2c(O)cccc21 253407743 IZLIQJMLANPZLO-AWEZNQCLSA-N 329.352 2.508 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)CCO2)o1 328613375 RVGLNYFJUWYWFL-AAEUAGOBSA-N 335.429 2.958 0 50 EFAA COC[C@@H]1CCCN1Cc1ccccc1OCC(=O)N1CCCCC1 215047923 FKGCTMUIEVIEPH-SFHVURJKSA-N 346.471 2.689 0 50 EFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 72419255 PCGZAPYLNNDQNP-HNNXBMFYSA-N 345.443 2.765 0 50 EFAA O=C(NCc1nnc(S)n1C1CC1)[C@@H](c1ccccc1)C1CC1 152613663 HUBTTWSVUBTCTQ-HNNXBMFYSA-N 328.441 2.712 0 50 EFAA Cc1cc(C2CCC2)nc(N2CCC[C@H](C(=O)c3nccn3C)C2)n1 77406051 CRVMKRSUHXBADM-HNNXBMFYSA-N 339.443 2.885 0 50 EFAA Cc1cc(NC(=O)CC2CCN(C)CC2)ccc1N1CCCC1=O 71385239 UZHJTOINDNETMH-UHFFFAOYSA-N 329.444 2.792 0 50 EFAA COc1cc(CNC(=O)c2cc(C)n(-c3nccs3)c2C)ccn1 125309359 LBSCRSMDKXDZCR-UHFFFAOYSA-N 342.424 2.884 0 50 EFAA O=C(c1ccnn1-c1ccccc1)N1CC[C@@H](O)c2ccccc2C1 370033044 NVFOCWNZLMVWDM-LJQANCHMSA-N 333.391 2.952 0 50 EFAA COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3[nH]ccc3C)C2)c1 370468469 LITFNVKQZPGOPB-CQSZACIVSA-N 343.427 2.691 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@@H](C(=O)O)c3ccccc32)n1 262693145 CPHJSIRYKCIIHU-DZGCQCFKSA-N 327.384 2.666 0 50 EFAA CC(C)CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1 71707990 DXYFIXVCILSGQP-CYBMUJFWSA-N 326.824 2.696 0 50 EFAA O=C(N1CC(c2cccnc2)C1)C1(c2ccc(F)cc2)CCOCC1 72133189 QMUJWHNDFGVAQE-UHFFFAOYSA-N 340.398 2.895 0 50 EFAA CCCc1cncnc1NCc1cc2n(n1)CCCN(CCC)C2 82133659 DCLHQOFDAGMKDV-UHFFFAOYSA-N 328.464 2.853 0 50 EFAA O=C(C1=COCCO1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 131554839 BEBHWGCTWVRUAB-SJORKVTESA-N 331.412 2.770 0 50 EFAA O=C([C@H]1CCCN1C1CC1)N1CCC2(CC1)OCCc1ccccc12 457122844 ALMINTMAXSJXOR-LJQANCHMSA-N 340.467 2.704 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)N(CCO)C1CCSCC1 340375784 JYHVRGHUAGKECV-UHFFFAOYSA-N 346.456 2.594 0 50 EFAA O=C(CCc1nnc[nH]1)Nc1ccc(Cl)cc1OCC(F)(F)F 175880539 YPEYPYPTJHRBCB-UHFFFAOYSA-N 348.712 2.971 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCN(c2ncccn2)C1 46422302 HLJPRICIHMGPMG-INIZCTEOSA-N 349.438 2.676 0 50 EFAA Fc1cccc(-c2cnc(CN3CCN(c4ncccn4)CC3)o2)c1 175034551 RVTHITFJTMXXSO-UHFFFAOYSA-N 339.374 2.593 0 50 EFAA CN1CCCN(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 426628742 IXNMGKBVBKMBEM-GOSISDBHSA-N 342.418 2.657 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(F)cc3F)[C@H]2C1 426518407 VIPQJFWZFGLFQV-ISTRZQFTSA-N 325.355 2.763 0 50 EFAA COc1cc(CN2CCC2)ccc1OC[C@@H](O)CN1CCCCCC1 95518085 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O=C(c1c[nH]nc1C1CCCCC1)N1CCC2(CC1)OCCC[C@H]2O 91849408 LLDPGCWSOOHHRK-MRXNPFEDSA-N 347.459 2.604 0 50 EFAA Cc1nc([C@@H]2CCCN(Cc3nnc(-c4ccccc4)o3)C2)no1 244723815 MHUHBUUDUDCPRZ-CQSZACIVSA-N 325.372 2.808 0 50 EFAA O=C(Nc1ccc2nncn2c1)[C@H]1CCCN(Cc2ccccc2)C1 179628446 BOEDAPMTJQUYTO-INIZCTEOSA-N 335.411 2.580 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21 244094507 UFQTUVHUSIYQNZ-SJORKVTESA-N 338.382 2.667 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN(Cc3cc(O)c4cccc(F)c4n3)C2)n1 253536447 FXFKKZKEUUCSKZ-GFCCVEGCSA-N 341.390 2.886 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCCOC2)nn1-c1ccccc1Cl 183200100 ZDKWJWXGADIJDY-CYBMUJFWSA-N 333.819 2.991 0 50 EFAA CCC(=O)N1CCC(Nc2nc(N3CCCC3)nc(C)c2C)CC1 534589028 PHUVRSDISYLNNZ-UHFFFAOYSA-N 331.464 2.507 0 50 EFAA CCN1C[C@H](Nc2nc(-c3ccccc3)nc3c2CCC3)[C@@H](OC)C1 534656879 MKSOHXLHLUEAAP-ROUUACIJSA-N 338.455 2.763 0 50 EFAA CCOCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC(=O)O 299794326 IVGOTLHKUYDBAO-CQSZACIVSA-N 335.400 2.571 0 50 EFAA Cc1nc(CC(=O)Nc2cccc(-c3nncn3C)c2C)cs1 828070037 DHYZNFUNXYHBKX-UHFFFAOYSA-N 327.413 2.737 0 50 EFAA CCOC(=O)N1CC[C@@H](NCc2nc3ccccc3n2C(C)C)C1 584898211 JTQGIPQWNHGFAF-CQSZACIVSA-N 330.432 2.938 0 50 EFAA COC(=O)C1(NCc2csc(-c3ncccn3)n2)CCC(C)CC1 169989875 FMLDIEARKNBVKX-UHFFFAOYSA-N 346.456 2.812 0 50 EFAA CC[C@@]1(C)CN(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)CCO1 188154640 OBAQFSVKDMHQET-KSSFIOAISA-N 336.432 2.673 0 50 EFAA CC[C@@H](NC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccncc1 189250049 MVSRQJDZDXWIPZ-IAGOWNOFSA-N 343.431 2.532 0 50 EFAA CCOc1nc(=NCc2cc(C)nc(N3CCCC3)c2)[nH]cc1Cl 651352366 SVEFEGJXEBSVRI-UHFFFAOYSA-N 347.850 2.866 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cncn2C)cc1 809403693 FEBXLIWYGNFGQT-INIZCTEOSA-N 338.411 2.912 0 50 EFAA CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC2(CC1)COC(=O)O2 1506418277 GVIIEJLFABLTNW-OAHLLOKOSA-N 332.400 2.714 0 50 EFAA Cc1ccc2ccccc2c1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704308885 STHQLMHBXSMYLH-KDURUIRLSA-N 325.364 2.510 0 50 EFAA Cc1ccc2c(C(=O)N(CCN(C)C)C3CCCCC3)cnn2c1 1772711437 UFOQGRFSPDVCAP-UHFFFAOYSA-N 328.460 2.979 0 50 EFAA O=C(c1ccsc1)N1CCCN(C2CSCCSC2)CC1 1775982419 PDGJLYJIUXIWDR-UHFFFAOYSA-N 342.555 2.745 0 50 EFAA COc1ccccc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 15913397 QCHJYUQUNBXNMC-UHFFFAOYSA-N 341.396 2.606 0 50 EFAA Fc1ccc(COc2cccc(CNCCN3CCOCC3)c2)cc1 19872029 XSKDRVHPQQZOQU-UHFFFAOYSA-N 344.430 2.827 0 50 EFAA O=C(CCc1cc(Cl)no1)NCCc1noc(-c2ccccc2)n1 169784414 WQGXLYBQDJZDJY-UHFFFAOYSA-N 346.774 2.670 0 50 EFAA NC(=O)c1cc(N2CC(c3nc4ccccc4[nH]3)C2)nc2ccccc12 1857668249 ZHCDJCNBEOSBQQ-UHFFFAOYSA-N 343.390 2.814 0 50 EFAA Clc1ccc2c(c1)CCN(c1cc(N3CCOCC3)ncn1)C2 225491536 VZMPYYBGCXKCEX-UHFFFAOYSA-N 330.819 2.529 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 2882202 SWWZUAFCOAZNCZ-LLVKDONJSA-N 333.837 2.504 0 50 EFAA CCOCc1ccc(-c2noc([C@@H]3CCN(C(=O)CC)C3)n2)cc1 328593829 OVPVCBRKOXWINM-OAHLLOKOSA-N 329.400 2.999 0 50 EFAA O=C([C@H]1CCc2nncn2C1)N1CC=C(c2cccc(Cl)c2)CC1 329082646 SHZQDKUZLUFROD-HNNXBMFYSA-N 342.830 2.810 0 50 EFAA Brc1cc2ncnc(N3CCc4n[nH]cc4C3)c2s1 651296681 CEXCMXAKBXESON-UHFFFAOYSA-N 336.218 2.740 0 50 EFAA O=C(NCCn1ccnc1)N1CCC[C@H](Oc2ccccc2Cl)C1 132644983 VEFOLTKKGOZWDB-AWEZNQCLSA-N 348.834 2.790 0 50 EFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)CC2 362656668 TYUJNECFEJVDHD-ZDUSSCGKSA-N 336.798 2.939 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)s1 262400469 CGJQOMUMHSFVAQ-AVGNSLFASA-N 343.470 2.771 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 158984230 AUKFTTDSVACDKM-HNNXBMFYSA-N 334.435 2.824 0 50 EFAA C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)O 262711333 BRSOPGLWTVVORK-GFCCVEGCSA-N 341.363 2.973 0 50 EFAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1csc(-c2ccoc2)n1 263073825 ATCPAUUCLCQSDN-MNOVXSKESA-N 334.397 2.657 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1C[C@@H](C(=O)O)CC[C@@H]1C 263245707 SEPYAQPGHWGPRV-QWRGUYRKSA-N 325.792 2.603 0 50 EFAA Cc1ccc(-c2nnc(S)n2CC(=O)NCC2(C3CC3)CC2)cc1 164507995 ZZFQRJFCUOFUKP-UHFFFAOYSA-N 342.468 2.849 0 50 EFAA COC(=O)CC1(CNC(=O)c2cnc3snc(C)c3c2)CCCC1 1875274568 JNEKWLWEHGAXGH-UHFFFAOYSA-N 347.440 2.853 0 50 EFAA CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccno2)cc1 1875289483 VUBHECYCQHVCDP-HNNXBMFYSA-N 348.424 2.864 0 50 EFAA O=C(O)c1ccc(C(=O)N=c2[nH][nH]c3ccccc23)c(C(F)(F)F)c1 1875334976 NKCTYIOGCNDBQV-UHFFFAOYSA-N 349.268 2.954 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 886060638 YHKRJAWXHPNWID-KBXCAEBGSA-N 347.434 2.822 0 50 EFAA CCc1ncc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cn1 1775987189 KZKXKGOOHURUFN-SFHVURJKSA-N 348.410 2.942 0 50 EFAA CC(C)C[C@H](CC(=O)O)C(=O)N1CCOC[C@H]1c1cccc(F)c1 899824912 DREKCNNKKVEMEK-ZBFHGGJFSA-N 337.391 2.863 0 50 EFAA C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1ccc(Oc2ccccc2)cn1 909812153 ZGVYKXMLKGBXPS-SWLSCSKDSA-N 326.352 2.809 0 50 EFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1nc2ccccc2[nH]1 114994517 IYVUQWVVAZQLHA-UHFFFAOYSA-N 338.396 2.981 0 50 EFAA CCOC(=O)[C@H]1CCCn2c1nc1sc3c(c1c2=O)CCCC3 126472 YPKAKLVINSHOEK-NSHDSACASA-N 332.425 2.777 0 50 EFAA COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccc(Cl)cc1 190605 WGMZFJPNSDIZFM-ZDUSSCGKSA-N 338.816 2.565 0 50 EFAA O=C(NCc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 1069315 AUZWJABBWFIZEY-UHFFFAOYSA-N 343.337 2.869 0 50 EFAA Cc1ccc(C)c(CC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356138875 RNKWRKUFLBTXGY-NRFANRHFSA-N 340.467 2.992 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NCCCN(CC)CC)cc1 2277850 JSPLBIVTRZFEEC-UHFFFAOYSA-N 337.489 2.882 0 50 EFAA CC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C 2359930 WUZSUHWEYVZIFX-UHFFFAOYSA-N 342.424 2.566 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(-n2cccc2)cc1 2493036 XCAPTWNBIYWLQS-FQEVSTJZSA-N 332.359 2.890 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1ccnc(C2CC2)n1 345779034 DYSGPHDPTRMWJR-CYBMUJFWSA-N 349.749 2.702 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 100625918 VVBQHCRMLCIBDR-OKYOBFRVSA-N 339.435 2.991 0 50 EFAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCCC[C@H]2C)CC1=O 9342064 XFMDYOUHMGEGOO-HUUCEWRRSA-N 330.428 2.758 0 50 EFAA COc1cc(CN2CC(=O)N([C@@H](C)C(C)(C)C)C2=O)cc(OC)c1 225451393 GGLJTLRSDCJNPK-LBPRGKRZSA-N 334.416 2.903 0 50 EFAA O=C1[C@H](N2CCCC[C@@H]2c2nccs2)CCN1CC(F)(F)F 111211426 CCRYSYXDVYDTER-GHMZBOCLSA-N 333.379 2.833 0 50 EFAA COCCN(Cc1ccnn1C)c1nc(C)nc2scc(C)c12 225607431 DNBXSAWEXJDIQX-UHFFFAOYSA-N 331.445 2.695 0 50 EFAA CN(C)CCC1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 112925225 BQWLFYDVUXJFGK-UHFFFAOYSA-N 344.434 2.815 0 50 EFAA O=S(=O)(c1ccccn1)N1CCC[C@H]1Cc1cc(F)ccc1F 416655615 WMCHZAYCGOJQGB-AWEZNQCLSA-N 338.379 2.756 0 50 EFAA CCc1oc(C(=O)N(C)Cc2nccn2CC)cc1CN1CCCC1 55212092 NOMUICIETMROCK-UHFFFAOYSA-N 344.459 2.926 0 50 EFAA CSc1cccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)c1 20598881 IHVYDEYHIPSSQM-CQSZACIVSA-N 346.500 2.966 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)C[C@@H]2CCO)cc1C 23359247 BRULIKZQAVOVMS-IBGZPJMESA-N 332.488 2.815 0 50 EFAA O=C(O)C[C@@H]1Oc2ccccc2N(Cc2ccc(Cl)nc2)C1=O 63869913 JZPAZALABKCJGQ-ZDUSSCGKSA-N 332.743 2.504 0 50 EFAA CCn1cc(CN2CCC(=O)N(CC3CCCCC3)CC2)c(C)n1 23431499 LTVLCXSFMHJXAT-UHFFFAOYSA-N 332.492 2.826 0 50 EFAA CN1CCC(NC(=O)c2ccc(CN3CCCCCC3)cc2)CC1 67338958 WTHSMLOWHLTWRH-UHFFFAOYSA-N 329.488 2.887 0 50 EFAA Cc1ccc2[nH]c(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc2c1 25289468 OWPQCCFCMKIUFS-UHFFFAOYSA-N 327.428 2.853 0 50 EFAA Cc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)o1 173735771 KGFLYGLUSLKYCA-UHFFFAOYSA-N 341.411 2.848 0 50 EFAA CCN(C)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 20536941 PRYQTJJLXPIVPV-UHFFFAOYSA-N 340.427 2.616 0 50 EFAA Cc1nn(-c2ccccc2)c(N)c1-c1ccc(S(C)(=O)=O)cc1 67817583 MCLUXPUMMDBEKI-UHFFFAOYSA-N 327.409 2.833 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 65534808 QGRKUUXICURIHA-SFHVURJKSA-N 326.371 2.843 0 50 EFAA O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCC(c2ccncc2)CC1 12307482 NWLYTFJRPFMNLW-IBGZPJMESA-N 349.434 2.841 0 50 EFAA CNc1ncccc1CN1CCN(c2cc(C(C)C)nc(C)n2)CC1 65382935 RPJSHEMRHPCTAV-UHFFFAOYSA-N 340.475 2.667 0 50 EFAA COc1ccc(NC(=O)C[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 252486963 PVUBSHYYBFWXOT-QVSURHGTSA-N 344.455 2.960 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 121415882 GZXSQGYABKCHRL-ZDUSSCGKSA-N 349.365 2.963 0 50 EFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(=O)n(C)c2)c1 216102216 AYNPKFSKTFBQIF-GOSISDBHSA-N 340.423 2.515 0 50 EFAA CC(C)COc1ccccc1CNC(=O)[C@](C)(O)C1CCOCC1 432412701 IBQUFHKUVUREMY-LJQANCHMSA-N 335.444 2.515 0 50 EFAA CCCc1nnc(S[C@@H]2CCN(c3ccccc3OC)C2=O)o1 122309092 BYLIGNQHOFFHTD-CYBMUJFWSA-N 333.413 2.928 0 50 EFAA Cn1cc([C@H](O)C(=O)N2CCC[C@H]2c2cccc3ccccc23)cn1 253406262 XQPOXEAETRCWLH-OALUTQOASA-N 335.407 2.970 0 50 EFAA COC(=O)CCn1cc(CN2CC[C@@H](c3ccccc3F)C2)cn1 72475485 ABBGUXXFAXESME-OAHLLOKOSA-N 331.391 2.575 0 50 EFAA CCc1nc([C@@H]2CCCN(C(=O)CO[C@H]3CCCC[C@H]3C)C2)no1 257365408 FCXVAONIQHPEBZ-KFWWJZLASA-N 335.448 2.933 0 50 EFAA CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(-n2ccnc2)nc1 363794927 FDSKXHJQQCATEO-IAGOWNOFSA-N 342.443 2.869 0 50 EFAA COCc1noc([C@@H](C)N2CCC(c3ccccc3CO)CC2)n1 364775688 HGZBMPLKFOPUEU-CYBMUJFWSA-N 331.416 2.649 0 50 EFAA CCCCSCc1cc(C(=O)N2CCC[C@](O)(CO)C2)oc1C 72151751 SYGGTMMVQAMFMI-QGZVFWFLSA-N 341.473 2.581 0 50 EFAA CC(C)(C)CN1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 39371573 ISGXGPPXSBZOEK-OAHLLOKOSA-N 326.431 2.880 0 50 EFAA Cc1oc(-c2cccs2)nc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 367446180 CDEYTFIHHVZDAC-MLGOLLRUSA-N 331.441 2.858 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(c3ccncc3F)CC2)c(C)n1 72424467 KVLDHFRPSOTYJS-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA O=C(Cc1ccc(O)c(F)c1)N1CCC(OCc2cccnc2)CC1 77518514 HGTQXANIQIJGOS-UHFFFAOYSA-N 344.386 2.677 0 50 EFAA O=C(NC1CCNCC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 262514851 QVYSOPNZDZDUAP-UHFFFAOYSA-N 339.226 2.661 0 50 EFAA COc1cc(C(=O)N2CCCC[C@H]2CN)ccc1OC1CCCC1 237232217 YRUXRSBXIICPHZ-HNNXBMFYSA-N 332.444 2.970 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237479658 ORFNGFOKUNNTSE-NEPJUHHUSA-N 341.354 2.836 0 50 EFAA O=S(=O)(c1ccccn1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 333874638 CISXIBSTMRMSSH-KRWDZBQOSA-N 344.436 2.624 0 50 EFAA CC1=C(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)SCCO1 281174860 JDBJCFFKHWIDKC-SMDDNHRTSA-N 341.379 2.594 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1COc2ccccc2C1 45836396 DWQGCJDXVOPRPD-MRXNPFEDSA-N 349.390 2.789 0 50 EFAA Cc1cc(Br)cc(C(=O)NCC[C@H](C)[S@](C)=O)c1 129532687 MUSJFBFMJZTMAN-XTZNXHDOSA-N 332.263 2.644 0 50 EFAA CCc1cnc([C@H](C)NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)s1 241694016 QJSCGJGTYQRYPY-SGMGOOAPSA-N 325.478 2.959 0 50 EFAA Cn1cc(CC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)cn1 131850978 MJRISTLEVOFFCX-OALUTQOASA-N 341.455 2.858 0 50 EFAA C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](CCC(=O)O)C1 263142037 OITVGUUZKVWULA-HOTGVXAUSA-N 344.455 2.931 0 50 EFAA CCOC(=O)N1CCN(c2nc(CC)nc3sc(C)cc23)CC1 41090692 GKSLWDWUIGTMIC-UHFFFAOYSA-N 334.445 2.841 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@H](c3ccncn3)C2)cc1C 221224238 CDDOATDXPNOCCY-INIZCTEOSA-N 325.412 2.878 0 50 EFAA C[C@@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)CCN1C 221231526 WOSGXGAIHRWKGJ-SNVBAGLBSA-N 334.313 2.699 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@H](C(=O)O)CC[C@H]2C)c1 263237389 RGLIVSNIOBYEPJ-HUUCEWRRSA-N 331.412 2.978 0 50 EFAA CC(C)(NC(=O)[C@@H]1Cc2ccccc2O1)c1cn(-c2ccccc2)nn1 176093477 STJDUMPHSXBUEN-KRWDZBQOSA-N 348.406 2.622 0 50 EFAA Cc1cccc2ncnc(N3CCC[C@@H]3[C@H]3COCC[C@@]3(C)O)c12 284443854 ANSUYTOJZASEMN-IDHHARJASA-N 327.428 2.695 0 50 EFAA CN(C)Cc1ccccc1CN(C)c1cc([C@@H]2CCOC2)ncn1 426612305 GOQCILDAQMJVKJ-QGZVFWFLSA-N 326.444 2.679 0 50 EFAA CC(=O)Nc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 41149948 AYBRSENZVRDCDH-UHFFFAOYSA-N 337.383 2.736 0 50 EFAA COCC[C@@H]1CCCCN1C(=O)NCc1nc2ccc(C)cc2[nH]1 426381802 UVFDZIMGZVRMOT-AWEZNQCLSA-N 330.432 2.972 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@@H](c3ccc(F)cc3)N(C)C)nc2c1 95370603 NJQLFSRVGPHOOJ-GOSISDBHSA-N 340.402 2.701 0 50 EFAA CCN(Cc1ccc(C)o1)C(=O)c1coc(CN2CCOCC2)c1 97155922 IMLFLMSMKTZLPT-UHFFFAOYSA-N 332.400 2.676 0 50 EFAA Cc1ccc(CN2CCN(Cc3cncn3C(C)C)CC2=O)cc1C 97272441 FXVKPFUVSDOMTL-UHFFFAOYSA-N 340.471 2.925 0 50 EFAA CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCNC1=O 178266647 DYGBQQNIRWXDDO-ZDUSSCGKSA-N 344.242 2.532 0 50 EFAA Cc1nc(Cl)ccc1C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 290932737 NOLSLWJLWJYNFE-YJBOKZPZSA-N 330.815 2.939 0 50 EFAA COc1ccc(CN(C)C(=O)Cc2cscn2)c2cccnc12 96131524 HVKBNTJEKLJUQZ-UHFFFAOYSA-N 327.409 2.901 0 50 EFAA O=C(CN1CCCC[C@@H]1CCn1cccn1)NCc1cccs1 240163586 JCCBGQTZLYSKPP-OAHLLOKOSA-N 332.473 2.506 0 50 EFAA COc1cc(CNC(=O)Cn2cnc(-c3ccccc3)n2)ccc1C 179126388 HMWXQNYKSXHZMP-UHFFFAOYSA-N 336.395 2.579 0 50 EFAA COc1cccc(Oc2ccc(NC(=O)CCS(C)(=O)=O)cc2)c1 340373599 ICHMPGJMEZZTIH-UHFFFAOYSA-N 349.408 2.861 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](CO)CC3)c12 294527110 LHZCBTTXMJMZRJ-CQSZACIVSA-N 330.428 2.730 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)Nc2nc(C)n(C(C)C)n2)c1 1940194932 DDLHLHWUWCWXSR-UHFFFAOYSA-N 340.387 2.818 0 50 EFAA COc1cccc(OC)c1S(=O)(=O)N1CC2(CC2)c2ccccc21 184892313 UMSZRHSTRCZSFW-UHFFFAOYSA-N 345.420 2.944 0 50 EFAA C[C@@H](CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)N1CCCCC1 584886395 VAWASKRVITZLSA-ZDUSSCGKSA-N 347.438 2.718 0 50 EFAA Cn1nc(C(=O)O)c2c1CCN(Cc1ccc([C@H]3CCCCO3)o1)C2 828571145 ISBVWEZFCIIDRN-OAHLLOKOSA-N 345.399 2.511 0 50 EFAA NC(=O)C1(NC(=O)COc2ccc(F)c(Cl)c2)CCCCCC1 584903662 DGHZALNQIDFATD-UHFFFAOYSA-N 342.798 2.552 0 50 EFAA CC1CCC(=CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(N)=O)CC1 685942957 YOBFPQSGSXZJRO-WPZCJLIBSA-N 330.432 2.699 0 50 EFAA OCCN(Cc1ccc(F)cc1)Cc1cnc(N2CCCCC2)nc1 952862964 SZFZUSOCZGMWTG-UHFFFAOYSA-N 344.434 2.601 0 50 EFAA CCc1ccc(O)c(C(=O)N2CCC(C(=O)C(F)(F)F)CC2)c1 185723253 FDZKRHKVQIKAAL-UHFFFAOYSA-N 329.318 2.938 0 50 EFAA C[C@H](O)[C@@H]1CCN(C(=O)Nc2ccc(F)c(Br)c2)C1 273309319 XKQYOGMYQMBIOI-DTWKUNHWSA-N 331.185 2.823 0 50 EFAA CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc2cn[nH]c2cc1C 276659227 FPUSLCBFLWDNGM-CQSZACIVSA-N 332.429 2.511 0 50 EFAA O=C(NS(=O)(=O)c1cccc2c1N=S=N2)C1[C@H]2CCCC[C@H]12 170023967 WXEYRNBACLAEEX-IUCAKERBSA-N 337.426 2.654 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC3CCN(C(N)=O)CC3)c2C)c1 170592882 IIYYTABZBCJEFV-UHFFFAOYSA-N 327.432 2.753 0 50 EFAA O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)N1CC[C@@H](CO)C1 170591937 QRMNIWOWIMSTRX-LLVKDONJSA-N 347.802 2.745 0 50 EFAA CCc1nc(N)cc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n1 170598866 WTFPKMCDJMQAHW-CHWSQXEVSA-N 347.488 2.557 0 50 EFAA CS[C@H](C)CC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 190557743 SRAUYRAWAZNWCD-OCCSQVGLSA-N 341.546 2.873 0 50 EFAA COc1ccc(COCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 684991909 NUZXHAKUOOOEFG-OTWHNJEPSA-N 347.455 2.754 0 50 EFAA Cc1cc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)on1 194310070 XASDORCBZYGATL-LBPRGKRZSA-N 334.807 2.882 0 50 EFAA COC(=O)CN(C(=O)c1coc(C2CCC2)n1)c1cccc(F)c1 194579905 CTAQIZNZWGBTIV-UHFFFAOYSA-N 332.331 2.901 0 50 EFAA CC(C)[C@H](O)[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 658286612 BFWFDFDTUNEVLB-AQNXPRMDSA-N 332.488 2.588 0 50 EFAA O=C(c1cc2c(F)cccc2s1)N1CCOC[C@@H]1c1ncon1 778952669 UJXFDZICVVJQFP-LLVKDONJSA-N 333.344 2.637 0 50 EFAA Cc1cc2cc(NCc3n[nH]cc3Br)ccc2n(C)c1=O 1659293765 KLHCACGHRZBXMA-UHFFFAOYSA-N 347.216 2.945 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1onc2ncccc12 1775979503 JCTDGJAZSNICHO-UHFFFAOYSA-N 328.397 2.830 0 50 EFAA CCOC(=O)[C@@H]1CCCN(Cc2nc(Cc3cccc(F)c3)no2)C1 11874232 XPALNDDHHUVCBM-CQSZACIVSA-N 347.390 2.575 0 50 EFAA CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 12651524 PXXJKHKUOURZNX-UHFFFAOYSA-N 337.851 2.993 0 50 EFAA CC[C@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 14291551 XPBCDZHPAGKEBB-JTQLQIEISA-N 328.397 2.917 0 50 EFAA COc1ccc(CCN2C[C@@H](NCc3ccc(F)cc3)CC2=O)cc1 14949585 QGTVIHWKCWBVNB-SFHVURJKSA-N 342.414 2.768 0 50 EFAA COc1cc(=O)n2c(c1C(=O)NCc1ccccc1Cl)CCCC2 169752827 UIWGANHMEZQZAK-UHFFFAOYSA-N 346.814 2.777 0 50 EFAA CC(C)=CC[C@@]1(C(=O)NCCCc2ccccn2)C[C@@H]2CC[C@H]1N2 1857667885 QDBRKINGIBCEEI-NLWGTHIKSA-N 327.472 2.997 0 50 EFAA CO[C@H]1C[C@@H](C(=O)N(C)CCCOc2ccc(C)cc2C)CC[C@@H]1N 1857731233 DBHIGWPQHPMUIH-LNLFQRSKSA-N 348.487 2.673 0 50 EFAA C[C@H](O)CN1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 413250764 OOJYULMYJBHAJS-LBPRGKRZSA-N 337.876 2.966 0 50 EFAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)O)ccc2C)C1 120252846 DQGVVOYQSJBISX-SWLSCSKDSA-N 346.427 2.916 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3csc4c3CCCC4)CCO2)o1 328609033 CAWBHALDVUBPEL-ZDUSSCGKSA-N 333.413 2.532 0 50 EFAA COc1ccc(CNC(=O)[C@@]2(C)CCNC2)c(OC2CCCC2)c1 237322744 CZHKXRIFQYPLBQ-IBGZPJMESA-N 332.444 2.632 0 50 EFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1F 238093635 DVTDPIJPTRBKMB-NSHDSACASA-N 329.755 2.575 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC(Cn2cccn2)CC1 240465905 GBFKPNKEEJGAHJ-UHFFFAOYSA-N 333.457 2.593 0 50 EFAA C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](C(C)(C)C(=O)O)C3)ccc2O1 659144284 DXGSDADRYMHAQA-DOMZBBRYSA-N 331.412 2.973 0 50 EFAA Cc1cccn2c(CN[C@H](c3nccn3C)C3CCOCC3)cnc12 343394304 RGPHAAHVASXMKY-KRWDZBQOSA-N 339.443 2.634 0 50 EFAA O=C(O)COc1cccc(C(=O)N2CCCc3ccccc3C2)c1 262880289 XSUPTQKFQPMZMN-UHFFFAOYSA-N 325.364 2.739 0 50 EFAA Cc1cc(CN2CCC[C@]3(CCc4cnc(N)nc43)C2)ccc1F 1704340627 KDTWLZOTAOCKKN-IBGZPJMESA-N 326.419 2.986 0 50 EFAA Cc1c(Br)cc(F)cc1C(=O)NC(C)(C)c1cnn[nH]1 822354127 PJWNJRWBJFKTOK-UHFFFAOYSA-N 341.184 2.680 0 50 EFAA Cc1ncc(CN2CC[C@H](Oc3cncc(Br)c3)C2)o1 930902216 RVUNJTNZNALZPU-LBPRGKRZSA-N 338.205 2.794 0 50 EFAA O=C(c1ccnc(-c2ccco2)c1)N1CCC[C@@H](N2CCCC2=O)C1 932526000 NMMWITNLGRLBQQ-OAHLLOKOSA-N 339.395 2.569 0 50 EFAA CCC(CC)n1ccc(C(=O)N[C@H]2CCN(C(=O)C3(C)CCC3)C2)n1 937942860 QVDOPBQEFHKKFH-AWEZNQCLSA-N 346.475 2.765 0 50 EFAA O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc(OC(F)F)nc1 935740172 IOHBHPIIFDPOFF-SNVBAGLBSA-N 338.314 2.552 0 50 EFAA O=C(c1cc(O)ncc1Br)N1CCC2(CCC2)CC1 935954168 OWWPZNLSZOEBBG-UHFFFAOYSA-N 325.206 2.956 0 50 EFAA Cc1noc(-c2ccc(N3CCC([C@@H]4CCCNC4)CC3)nc2)n1 849241179 ZYRALCKEIFHMLB-OAHLLOKOSA-N 327.432 2.656 0 50 EFAA Cn1cc([C@H]2C[C@H](C(=O)O)CN(C(=O)CC3CCCCCC3)C2)cn1 868453841 VMKJXDSGWUYKOH-HOTGVXAUSA-N 347.459 2.797 0 50 EFAA CC[C@H](C)CCc1nc(-c2cc(CN3CCOCC3)cnc2O)no1 952881926 HWWIZCDJTIOLFS-ZDUSSCGKSA-N 346.431 2.648 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)o1 952848150 GQKOLFRVTVLWJG-KGLIPLIRSA-N 326.400 2.849 0 50 EFAA COc1nccc(C(=O)N[C@@H](C)c2ccc(Br)s2)n1 1875271670 CZGACIHOQQQFET-ZETCQYMHSA-N 342.218 2.800 0 50 EFAA C[C@H](NC(=O)[C@H]1CCC[C@H](N=c2cncc[nH]2)C1)c1cccc(F)c1 1875274101 GWUQQMIXYSKZFL-QRTARXTBSA-N 342.418 2.886 0 50 EFAA C=CC(=O)N(Cc1ccccc1Cl)[C@@H](C(=O)NC)c1cccnc1 1875387746 VQVMXOBNOYJSJP-QGZVFWFLSA-N 343.814 2.737 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F 887310928 UCXYIDWSQYZWPI-JJEKRJTGSA-N 343.345 2.770 0 50 EFAA O=C1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3o2)N1 888093769 PXXOVTZTXHCQTO-CVEARBPZSA-N 349.390 2.506 0 50 EFAA Cc1[nH]nc(NC(=O)[C@H]2CCCC(=O)N2C)c1-c1cccc(Cl)c1 895529236 VRIQVBVEMHUZKV-CYBMUJFWSA-N 346.818 2.988 0 50 EFAA Cc1cc(C)c(CC(=O)Nc2cn(C)nc2-c2ccnn2C)c(C)c1 1775991428 LSPDPCYOUXKRRA-UHFFFAOYSA-N 337.427 2.927 0 50 EFAA O=C(N[C@H](CO)c1ccccc1)C1CCN(Cc2ccccc2)CC1 271291230 MCAQTUQSRHSFJH-HXUWFJFHSA-N 338.451 2.748 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ccnc2c1nc(C)n2C 2100556911 VPCUNDICGVDJPM-LBPRGKRZSA-N 341.440 2.849 0 50 EFAA Cc1ccc([C@](C)(CO)NC(=O)c2cccc(CC(=O)O)c2)cc1C 2325788434 GIVWWRYJUIDDGE-FQEVSTJZSA-N 341.407 2.568 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CNCC(F)(F)C3)cc2)c1C 2325795513 JPPFWSQJSCYSMT-ZDUSSCGKSA-N 334.370 2.672 0 50 EFAA CC(C)N1CCC[C@H](NC(=O)c2ccc3ncn(C4CC4)c3c2)C1 2325805128 QQJFXLNCVJGUKO-HNNXBMFYSA-N 326.444 2.974 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2OC)NC(=O)N1 175948 DARGRIPHQWYBGF-HNNXBMFYSA-N 348.399 2.675 0 50 EFAA COC(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl 611239 BWTXGMDTJIHSGE-HNNXBMFYSA-N 347.754 2.905 0 50 EFAA CCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 862278 QUNQUWQPFREBCG-UHFFFAOYSA-N 325.792 2.764 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(NC(C)=O)cc2)NC(=O)N1 1126762 IAPHDQTXTXQIRH-INIZCTEOSA-N 345.399 2.616 0 50 EFAA O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1ccncc1 4487361 KOXQWPYMMCGTNZ-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA CC(C)c1ccc(O[C@@H](C)c2nnc(SCC(N)=O)n2C)cc1 6699610 HKFOCVRLRWJLKI-NSHDSACASA-N 334.445 2.656 0 50 EFAA CC(C)c1ccc(O[C@H](C)c2nnc(SCC(N)=O)n2C)cc1 6699611 HKFOCVRLRWJLKI-LLVKDONJSA-N 334.445 2.656 0 50 EFAA Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4cccnc4)nc3c12 6758245 HBEDIKILJYDPNF-UHFFFAOYSA-N 349.442 2.710 0 50 EFAA CN1CCO[C@H]([C@@H](NCc2cscn2)c2ccc(Cl)cc2)C1 222049074 KPWVMQHUIPTGIF-HOTGVXAUSA-N 337.876 2.958 0 50 EFAA CC1CCN(C(=O)c2cnc3sc4c(n3c2=O)CCCC4)CC1 10327431 DUQXLUVNBQOAJP-UHFFFAOYSA-N 331.441 2.507 0 50 EFAA COc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 10364060 XGQGVNCJIJDOQL-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA O=C(NCc1ccn(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCO2 135132759 ZCJNGEBLHCOQFM-UHFFFAOYSA-N 337.354 2.876 0 50 EFAA CCN(CC)Cc1nnc2sc(COc3ccc(C)cc3)nn12 67239790 PFKHGYBYKJPELJ-UHFFFAOYSA-N 331.445 2.915 0 50 EFAA C[C@](O)(CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccco1 252486981 QOXZSOFJCWJHBI-PXCRPINLSA-N 340.467 2.987 0 50 EFAA COC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@@H](c2nc(C)no2)C1 229366515 NVZRBOIBQUUBMR-UKRRQHHQSA-N 333.363 2.611 0 50 EFAA CCCCN1CCC(CNc2nc(CC)nc3c2cnn3C)CC1 72162994 XOKVINMNDSIDDO-UHFFFAOYSA-N 330.480 2.850 0 50 EFAA CC[C@H]1CN(C(=O)c2ncoc2C)CCC(=O)N1Cc1ccccc1 71755191 GSJVROBOJXPOHN-INIZCTEOSA-N 341.411 2.636 0 50 EFAA O=C([C@H]1CCCN(Cc2cnc3cc(O)ccc3c2)C1)N1CCCC1 71614626 BUDCPFWICWETCB-KRWDZBQOSA-N 339.439 2.775 0 50 EFAA Cc1nc(N2C[C@@H](C)OC3(CCOCC3)C2)ccc1Br 279541561 SCYORXGLRZMFDM-LLVKDONJSA-N 341.249 2.927 0 50 EFAA COc1ccc(C(=O)N2CCN(C[C@H]3CCOC(C)(C)C3)CC2)cc1 72129601 QZCIAQJOFRTHKD-INIZCTEOSA-N 346.471 2.658 0 50 EFAA O=C(CCn1ccnn1)Nc1c(-c2ccccc2)nc2ccccn12 253392672 DYMJCUBYWYJACL-UHFFFAOYSA-N 332.367 2.622 0 50 EFAA CC1=C(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CCCO1 123283646 CXCXHNGLJBLCGR-UHFFFAOYSA-N 349.475 2.694 0 50 EFAA COCc1nsc(N2CCC(C(=O)c3ccc(OC)cc3)CC2)n1 253420446 XUXSNCBSOGGOGG-UHFFFAOYSA-N 347.440 2.792 0 50 EFAA O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1O 120534760 SJKASPMWHUXJQG-UHFFFAOYSA-N 345.443 2.629 0 50 EFAA Cc1cnc([C@@H](NC(=O)N2CCOCC(F)(F)C2)C2CC2)s1 358939722 GZACJEOFVUTVLG-NSHDSACASA-N 331.388 2.580 0 50 EFAA COC(=O)c1cc(CN(C)Cc2nc(-c3cccnc3)no2)cs1 72169099 GZJKWXOWCNUQOD-UHFFFAOYSA-N 344.396 2.612 0 50 EFAA CN(C)C[C@@]1(O)CCCN(C(=O)CCCCc2ccccc2)CC1 72151282 PTQVTPMEDRTSLQ-HXUWFJFHSA-N 332.488 2.705 0 50 EFAA Cc1ccc(CNC(=O)CN2CCC[C@H]2c2cn(C)nc2C)cc1F 363917762 ABWMSVJJGCOERK-SFHVURJKSA-N 344.434 2.629 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 363999693 JHNZOIDPKJOBPC-DYVFJYSZSA-N 344.415 2.510 0 50 EFAA COc1cc(-n2c(C)nc3ccccc3c2=O)cc(OC)c1OC 71770212 BDXVKCSNGQXDFM-UHFFFAOYSA-N 326.352 2.720 0 50 EFAA COc1ccc(CN2CCC[C@H](N(C)CC(=O)O)CC2)c(Cl)c1 262501701 IKMJWTVFIPVEOV-AWEZNQCLSA-N 340.851 2.720 0 50 EFAA COc1ccccc1[C@H](O)CNC1CCN(c2ccccc2)CC1 130540076 SZHFJPOBJRJUCX-LJQANCHMSA-N 326.440 2.987 0 50 EFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1sc(C)nc1-c1ccccc1 71764053 HQSIBMIAHBNQEA-LLVKDONJSA-N 331.441 2.715 0 50 EFAA CCOC(=O)CCCN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72140066 HRNKQLAHCXFDHD-CEWLAPEOSA-N 342.483 2.892 0 50 EFAA O=C(NCc1cccc(F)c1)N1CCCC[C@@H]1CCN1CCOCC1 72143258 SMFFVUZQJXDRJH-GOSISDBHSA-N 349.450 2.612 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@@]1(C)CCNC1 237247001 HSERQEXSHYYXSU-AWEZNQCLSA-N 329.213 2.546 0 50 EFAA CNC[C@@H]1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1 237226219 DPBLZRYFRKQAKC-INIZCTEOSA-N 325.456 2.852 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCC[C@]1(CO)Cc1ccccc1 372770608 SPGDQFXODBQBMA-HXUWFJFHSA-N 335.407 2.544 0 50 EFAA C[C@H]1CN(c2ccc3nnc(-c4ccccc4F)n3n2)CCCO1 171046669 MCDMNPKBILLAPC-LBPRGKRZSA-N 327.363 2.546 0 50 EFAA CC(C)N1CCN(C2CCN(C(=O)c3ccoc3C3CC3)CC2)CC1 282162419 CFXMIWWIMSNIQD-UHFFFAOYSA-N 345.487 2.788 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)[C@H](O)c1cccc(Cl)c1 222893838 BVDORMBMMDOQEX-MRXNPFEDSA-N 334.803 2.899 0 50 EFAA CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 282446266 KODKQNCHBVHBRC-IUODEOHRSA-N 347.484 2.922 0 50 EFAA CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 17071008 RBGJUEMAKRIFQD-VHSXEESVSA-N 338.429 2.800 0 50 EFAA COCc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 282543313 NFKHACFHOJUYMQ-ZWKOTPCHSA-N 329.371 2.920 0 50 EFAA CCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1 226265399 PRXKPLOJMCNARQ-UHFFFAOYSA-N 338.455 2.835 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 97272492 BLRDLIPGPWPNDS-KRWDZBQOSA-N 336.395 2.931 0 50 EFAA CCOc1ncccc1C(=O)N1CCc2ccc(OC)cc2CC1 95357580 YYTMVDBNDZSQQP-UHFFFAOYSA-N 326.396 2.730 0 50 EFAA CCn1c(C)cc(C(=O)N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)c1C 91444908 CIZRCRAMZFCXLL-FQEVSTJZSA-N 345.487 2.988 0 50 EFAA CC(C)(NC(=O)C(F)(F)F)c1nc(-c2cc(F)cc(F)c2)no1 290149351 PSZAHUUESZEBFB-UHFFFAOYSA-N 335.232 2.928 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)CCc2c(C)nn(C)c2C)c1 97610171 NVGGKAVFEGADJW-SFHVURJKSA-N 327.428 2.952 0 50 EFAA CCc1nc(N)nc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)c1C 95364507 BYOLPJHVYRFTAR-HNNXBMFYSA-N 339.443 2.646 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)NCc1cccc(F)c1)C2 95354564 KXHDKJNJVMWGGR-CQSZACIVSA-N 344.386 2.885 0 50 EFAA CCOc1nnc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)s1 291150292 AHAPQPOKGUKYKF-GOSISDBHSA-N 347.484 2.754 0 50 EFAA Cc1nn(C)c2nc(N3CCC(C(=O)N4CCCCC4)CC3)sc12 95507074 DEAWKMYEMQYAKD-UHFFFAOYSA-N 347.488 2.567 0 50 EFAA Cc1ccccc1N1C(=O)[C@H]2[C@H]3C(=O)C[C@@H](c4ccccc43)[C@H]2C1=O 248108363 MJNGQQGXBHYKAI-PIKADFDJSA-N 331.371 2.954 0 50 EFAA Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H]3CCOC3)c12 179022086 LTGHMLWQTOSHRM-ZDUSSCGKSA-N 341.342 2.856 0 50 EFAA C[C@@H](CO)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 253411900 PGRKGDORMWZKHY-LBPRGKRZSA-N 327.409 2.711 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 181161758 DHGDKPAKZOCTRU-UHFFFAOYSA-N 342.424 2.900 0 50 EFAA C[S@@](=O)Cc1cc(NC(=O)c2cc(C(=O)O)co2)ccc1Cl 183793204 HWLBJVDOSOPWFU-JOCHJYFZSA-N 341.772 2.762 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1 534648638 HOYMJBVGSWRYSP-CQSZACIVSA-N 328.416 2.980 0 50 EFAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cnn1C(C)(C)C 299744833 QDSCWHAHHQHBLO-YUELXQCFSA-N 333.432 2.804 0 50 EFAA CC[C@@H](NC(=O)c1c(-c2ccccc2)noc1C)c1ncnn1C 534648604 MCOHNIHYBRTTCY-CYBMUJFWSA-N 325.372 2.660 0 50 EFAA CC(C)C[C@H](C(=O)NCCCc1nnc2ccccn12)n1cccc1 263587437 GXDZVOOEAGHXTQ-MRXNPFEDSA-N 339.443 2.867 0 50 EFAA CN1CCN(C[C@H]2CCCN(Cc3sccc3Cl)C2)CC1 374814503 MEHCGLCEHGJZIM-CQSZACIVSA-N 327.925 2.861 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3c(C)nc4sccn34)[C@H]2C1 299781093 QVDNEWMSTBDKTQ-GDZNZVCISA-N 349.456 2.503 0 50 EFAA COc1ccc(CN(Cc2ccccn2)[C@H](C)C(=O)N(C)C)cc1 299791153 CBQKTUFUISPCEU-OAHLLOKOSA-N 327.428 2.569 0 50 EFAA O=C(NCCCN1CCCC1=O)[C@@H]1CCCc2c1[nH]c1ccccc21 828264972 ZWUHOUOOOAZDKY-MRXNPFEDSA-N 339.439 2.717 0 50 EFAA Cc1nc(CNC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cs1 828595599 BVYRXYOAJCGYLZ-LBPRGKRZSA-N 330.331 2.820 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(C)n2C(F)F)c1 952968181 OWBQRAXOVZRDPA-UHFFFAOYSA-N 332.314 2.728 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 71260726 ZACHRMBYDLOHBC-SJORKVTESA-N 336.439 2.761 0 50 EFAA C[C@H](C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(C)(C)C 408520746 VIVRYBPIIDRDKE-KGLIPLIRSA-N 342.480 2.811 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2csc(NC3CC3)n2)CC1 269255916 YGMXOXMRCZGFHJ-UHFFFAOYSA-N 342.468 2.988 0 50 EFAA Cc1occc1CN(C)C(=O)NC1CCC(O)(c2cccnc2)CC1 185880569 GPLRKPMHWZRICU-UHFFFAOYSA-N 343.427 2.955 0 50 EFAA C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1ccccc1 170599278 TUKNNWITVKTURZ-GDBMZVCRSA-N 327.380 2.884 0 50 EFAA CC(C)Cn1nccc1NC(=O)C(=O)Nc1ccc2ncccc2c1 170617167 BPBSPJLLIJSLEZ-UHFFFAOYSA-N 337.383 2.665 0 50 EFAA O=C(O)c1cccnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 647447595 PEDHUEWXEMTRCE-JTQLQIEISA-N 340.305 2.837 0 50 EFAA O=C(c1csc(Cc2cccc(F)c2)n1)N1CCc2nc[nH]c2C1 647736357 MQKYNNHNQLBYKS-UHFFFAOYSA-N 342.399 2.795 0 50 EFAA Cc1cccnc1CN1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506415467 CAOAXUNSVJXSEP-HXUWFJFHSA-N 336.483 2.787 0 50 EFAA CCC1(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CCCC1 1529144076 HIJNUDSALJVLOQ-MSOLQXFVSA-N 344.455 2.732 0 50 EFAA O=C(CCC(F)(F)F)N1CCCN(C(=O)Cc2ccsc2)CC1 1453708475 KSNDAHQFLDUBTA-UHFFFAOYSA-N 348.390 2.694 0 50 EFAA CC(C)N1C[C@H](CN2CCC(OCc3ccccn3)CC2)CCC1=O 1775984099 HQXSBIFHZHVYIA-KRWDZBQOSA-N 345.487 2.710 0 50 EFAA CCCc1nc(C(=O)N2CCCN(c3ncccc3F)CC2)cs1 1772811652 WQMYYJAEHYPQOT-UHFFFAOYSA-N 348.447 2.982 0 50 EFAA Cc1nc(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cs1 12193402 WTAWONMTFASIDR-GOSISDBHSA-N 347.484 2.706 0 50 EFAA CCNC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C 14888045 VJPHXOOJEPZUSN-UHFFFAOYSA-N 347.488 2.647 0 50 EFAA COCc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)o1 19840949 UODCZSDOWKVNCT-UHFFFAOYSA-N 338.411 2.743 0 50 EFAA COc1ccc(OCC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1 150750706 OIEXONGETDZSPM-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2C[C@H]2CC(=O)N(C)C2)c1 1857668108 QGXSYLCRTFFZGJ-INIZCTEOSA-N 349.438 2.831 0 50 EFAA CN(Cc1cccc2ccnn12)C[C@@H]1CC(=O)N(C2CCCC2)C1 1857676267 NGMHTQOZVKZEQA-HNNXBMFYSA-N 326.444 2.557 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCO[C@H](c2cccnc2)C1 1857730267 OWKGMPFVZWSFKX-KRWDZBQOSA-N 348.406 2.994 0 50 EFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl 100220476 REIGLQUFMMOAFU-UHFFFAOYSA-N 335.787 2.921 0 50 EFAA in-vitro CC(C)[C@H]1OCCC[C@@H]1C(=O)NCc1cn(C)nc1C(F)(F)F 408474417 VWHMMELOCMRMFT-NWDGAFQWSA-N 333.354 2.506 0 50 EFAA Cc1cc(Cl)cc(NS(=O)(=O)c2csc(C(=O)O)c2)c1O 438768630 ZNIGYGMUSRVVHV-UHFFFAOYSA-N 347.801 2.915 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccco1)c1ccc(Br)cc1 237991193 CULUVYDLVJMPAU-NSHDSACASA-N 338.157 2.988 0 50 EFAA CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 454366324 AFELJZJWFRRWMM-DAXOMENPSA-N 338.835 2.678 0 50 EFAA O=C(c1ncccc1Br)N(CCO)CCc1ccccc1 253420484 XMDSTUBRMPCBCH-UHFFFAOYSA-N 349.228 2.521 0 50 EFAA CC(C)(C)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)no1 266139780 ZZMMUGXOYRUYEV-UHFFFAOYSA-N 342.443 2.762 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)Cc2c[nH]nc21 913586227 UQNYUASEGPEJRD-OTYXRUKQSA-N 339.317 2.608 0 50 EFAA COc1cccn2ncc(C(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)c12 934126223 JFWNXCZFFOQNEI-INIZCTEOSA-N 341.415 2.594 0 50 EFAA Cc1nc([C@H]2COCCN2C(=O)c2cc3c(C)ccc(F)c3o2)no1 935293752 RUEFPOXNGJZZSC-CYBMUJFWSA-N 345.330 2.785 0 50 EFAA Cc1oc2ccccc2c1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952889036 QBDVMWFDEDEDTN-UKRRQHHQSA-N 340.383 2.504 0 50 EFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)Cc3cccc(F)c3F)C2)o1 952890756 IJQCKRSXQRBDKS-YPMHNXCESA-N 335.354 2.726 0 50 EFAA C[C@H]1CCCC[C@@H]1OCc1nnc(-c2ccc(-n3cnnn3)cc2)o1 952874712 GYSGTWRPXNEHOE-WFASDCNBSA-N 340.387 2.808 0 50 EFAA O=C(O)c1sccc1C(=O)N1CCC(O)(c2ccccc2)CC1 1875291490 AXUZBMDEHMHGIJ-UHFFFAOYSA-N 331.393 2.570 0 50 EFAA Cc1ccccc1[C@H](CF)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 1875296008 FVPNUILOADFUKG-FXAWDEMLSA-N 340.398 2.580 0 50 EFAA Cc1cc(C)c([C@H](CO)NC(=O)Cc2cccc(C(=O)O)c2)c(C)c1 1875277450 MDHNMTOPXVTULH-KRWDZBQOSA-N 341.407 2.702 0 50 EFAA O=C(Nc1c(-c2ccc(F)cc2)nc2ncccn12)[C@@]12COC[C@@H]1C2 1875279089 YJUZGXWPLGZIBM-SGTLLEGYSA-N 338.342 2.510 0 50 EFAA CCn1nc2c(c1C(=O)N(C)Cc1cccn1C)C[C@H](C)O[C@@H]2C 1875314252 OSHBGARIDDMFGM-QWHCGFSZSA-N 330.432 2.536 0 50 EFAA O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(F)c1 19841608 IWHYSIJAHOCUSC-UHFFFAOYSA-N 341.430 2.972 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)Cc2ccccc2)O1 263572258 KRXYEICVDZYFEE-QWHCGFSZSA-N 345.317 2.600 0 50 EFAA Cc1nc(=NC(=O)c2cc(C(C)C)on2)n(-c2ccc(F)cc2C)[nH]1 888876550 MBMBNRPYSBVEGP-UHFFFAOYSA-N 343.362 2.809 0 50 EFAA Cc1c(NC(=O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 333156 SYMDVHPUAWGGHG-UHFFFAOYSA-N 348.617 2.793 0 50 EFAA COc1ccccc1-c1nn(C)cc1CN1CC(c2nocc2C)C1 2325784386 YXYFLWYAPLBOME-UHFFFAOYSA-N 338.411 2.992 0 50 EFAA Cn1cc(C2=CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1 907365125 FCVZSEKGTHZQQG-UHFFFAOYSA-N 337.832 2.552 0 50 EFAA CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccco2)c1 237811 OVPIWXVZUXOZLK-UHFFFAOYSA-N 325.386 2.556 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 262298 UMCUXVBOQQJFPN-UHFFFAOYSA-N 340.379 2.547 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(OC)c2)c1 265841 PVGVKNXOENSVJO-UHFFFAOYSA-N 343.335 2.521 0 50 EFAA biogenic CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 382507 ACHIMTKREDUGDM-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA COc1ccc(OC[C@H](O)CN(C)C(=O)c2ccc(Cl)cc2)cc1 464832 UUIQSDVOGRXAIE-OAHLLOKOSA-N 349.814 2.861 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cccc2)c1 565323 RCMXEOKHVBYRMO-HXUWFJFHSA-N 332.359 2.890 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)C1=O 2356139392 WZYFMHHVKBUDHY-SFHVURJKSA-N 329.375 2.534 0 50 EFAA Cc1nc(-c2cccc(C(=O)NCCCn3ccnc3)c2)ccc1O 2356148410 UWTDIVGBQDDNLA-UHFFFAOYSA-N 336.395 2.779 0 50 EFAA S=C(NC[C@@H]1CCCO1)N1CCN(c2ccccc2Cl)CC1 4750336 XJHDIJUSOVMJMA-ZDUSSCGKSA-N 339.892 2.516 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 4866228 UWHTVOPCWTTYEH-UHFFFAOYSA-N 338.473 2.729 0 50 EFAA Cc1nsc(NC(=O)N2CCCN(c3ccccc3C)CC2)n1 55310092 DFMLLALHERJVLE-UHFFFAOYSA-N 331.445 2.899 0 50 EFAA COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O 9341894 GGUBGVVGIZJKGI-GJZGRUSLSA-N 330.428 2.615 0 50 EFAA OCCCc1cn(CCCO[C@H]2CCCCO2)nc1C(F)(F)F 225828067 JXENDEBOAWFWNM-ZDUSSCGKSA-N 336.354 2.760 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1Cc1ccc(OCc2ccccn2)cc1 343734026 GUTUQWLVHWWJPD-ICSRJNTNSA-N 342.439 2.896 0 50 EFAA Cc1ccccc1[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](C)O)C(C)C 135184566 KKXMMWJRWHBMRF-SOLBZPMBSA-N 334.460 2.873 0 50 EFAA CCn1cnnc1[C@H](C)NC(=O)c1nc(-c2ccccc2)cs1 67787613 UHMNTBNUYYHHDK-NSHDSACASA-N 327.413 2.913 0 50 EFAA Cc1ccc(OC2(C(=O)N(C)C[C@@H]3CCCCO3)CCNCC2)cc1 65405130 HIIPHNZWZYTIRX-SFHVURJKSA-N 346.471 2.524 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)c2ccccc21 327381397 OLOBVXIIOWNIQT-AWEZNQCLSA-N 339.347 2.677 0 50 EFAA Cc1cnn(C[C@@H]2CCCCN2C[C@@H](O)COCc2ccccc2)c1 229515466 UZDLWDFBZLDVAN-VQTJNVASSA-N 343.471 2.624 0 50 EFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 72174494 XIPNVMKCUOWJKX-GFCCVEGCSA-N 339.317 2.788 0 50 EFAA Cc1cccc(N2CCN(C(=O)CC[C@H]3CCCOC3)[C@@H](C)C2)n1 229852859 RDHWLNOJRVWNMQ-DLBZAZTESA-N 331.460 2.634 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc3c[nH]nc23)C1 328588275 AMVFFMYYLRJXHO-QGZVFWFLSA-N 335.455 2.912 0 50 EFAA CCc1nn(C)c(OC)c1CN[C@H]1CCN(c2ccc(C)cc2)C1 120570662 WSCIPNBMDDUBPC-HNNXBMFYSA-N 328.460 2.668 0 50 EFAA Cc1ccc2c(=O)n(C[C@@H]3CC(=O)N(C(C)(C)C)C3)cnc2c1C 32513763 AIAUVFNEISAQQD-AWEZNQCLSA-N 327.428 2.660 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCn3c(C)nnc32)C1(CC)CC 252517239 CPVMDOQBIVXLDQ-RRFJBIMHSA-N 349.479 2.704 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNC[C@@H]2CC=CCC2)CC(=O)N1C 328614287 AFORGUWUSCKTLG-JTDSTZFVSA-N 330.476 2.502 0 50 EFAA CCN1C[C@]2(CCCN(C(=O)c3cccc(C)c3O)C2)CCC1=O 72474803 UFWQLDJBDAQVJS-IBGZPJMESA-N 330.428 2.565 0 50 EFAA CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 253388793 KAWOHEHPAJHLPW-BPKGMFCQSA-N 334.460 2.796 0 50 EFAA CNC(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 253395159 PMTMXPDVOQGKJL-QAPCUYQASA-N 346.377 2.632 0 50 EFAA CCn1cnnc1[C@H]1CN(C(=O)c2oc3ccccc3c2C)CCO1 328641498 XZLRMSLMUGOYIR-OAHLLOKOSA-N 340.383 2.566 0 50 EFAA CCc1nccn1CCC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 215333221 VVBOYKDBIJMLNF-UHFFFAOYSA-N 337.427 2.884 0 50 EFAA O=C(c1cnsn1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 253416958 XKTJAPDTVBIFDC-UFBFGSQYSA-N 343.330 2.505 0 50 EFAA CN1CC[C@@H]2CN(C(=O)c3ccccc3C(=O)c3ccccc3)C[C@@H]21 452982801 BAQNEHPEZAMNQD-APWZRJJASA-N 334.419 2.694 0 50 EFAA CO[C@]1(C)C[C@H](NC(=O)c2ccc(-c3nnc(S)o3)cc2)C1(C)C 124512864 NFIHWJBNFVLGEU-YVEFUNNKSA-N 347.440 2.959 0 50 EFAA CCc1ccc(C(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)[nH]1 218959145 KNGOONLEHCIXJB-SFHVURJKSA-N 342.443 2.653 0 50 EFAA C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2ccccc2)ncc1=O 331577434 ONTJBBQYBUABOY-MAUKXSAKSA-N 339.439 2.947 0 50 EFAA O=C(c1cc(-c2ccco2)[nH]n1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375018127 ILCYOQGKKNJPIQ-SFHVURJKSA-N 341.342 2.543 0 50 EFAA COc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCCCC3)no2)cc1 32594177 YPUAJBPTAVHIHN-CQSZACIVSA-N 343.427 2.954 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N(C)[C@H](C)C[S@](C)=O)cc12 157244697 BENGWOZNZCASBK-ZQJOYCHOSA-N 341.502 2.597 0 50 EFAA COc1ccc(Cn2cc(-c3[nH]c(C)nc(=O)c3Cl)cn2)cc1 216339912 AJXQXZYLJSJXIM-UHFFFAOYSA-N 330.775 2.652 0 50 EFAA Cn1c(CNC(=O)c2cccc([C@@H]3CCNC3)c2)nc2ccccc21 72165315 QELMPPMKFBMBFW-MRXNPFEDSA-N 334.423 2.580 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 237532462 OJHXXLZRCDHRBO-NHYWBVRUSA-N 326.400 2.566 0 50 EFAA COc1ccnc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 280121109 AOTWVHAYTWAXGB-GWCFXTLKSA-N 339.317 2.816 0 50 EFAA C[C@@H](OCc1ccccc1)C(=O)N1C[C@@H](C(=O)O)c2ccccc21 281284169 DUCRRYROWPKHSN-CZUORRHYSA-N 325.364 2.807 0 50 EFAA Cc1nc(CCNC(=O)c2cccc(OC(F)F)c2)nc2c1CCC2 220324317 PZESEIKTOZVCBG-UHFFFAOYSA-N 347.365 2.848 0 50 EFAA COc1cc(F)c(F)cc1NC(=O)NC1CCC(C(=O)O)CC1 263019828 JBFQQIXIDJZNOP-UHFFFAOYSA-N 328.315 2.738 0 50 EFAA COc1ccc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)cc1N1CCOCC1 82121430 IXMIIJDZXVNBBO-XIRDDKMYSA-N 344.455 2.840 0 50 EFAA COc1cccc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2)c1OC(F)F 457846527 BDJLTUSGQFINHW-PHIMTYICSA-N 329.343 2.982 0 50 EFAA CC[C@@H](C(=O)N1C[C@H]2CC[C@H]1C2)n1nnc(-c2ccc(Cl)cc2)n1 225514822 KTBRQOMOYSFKDS-CQDKDKBSSA-N 345.834 2.956 0 50 EFAA CCc1cnc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)s1 174602327 DVUPMBRZJFXFEO-INIZCTEOSA-N 345.468 2.842 0 50 EFAA CCc1cccnc1C(=O)N1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 285203061 WTLREAQOURDZIX-ABAIWWIYSA-N 342.399 2.507 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 285266332 MKUNMFGGNNMPOY-UHFFFAOYSA-N 342.395 2.707 0 50 EFAA O=C([C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1)N1CCC=C(F)C1 285562505 URZRVJSDQWLKGS-FUHWJXTLSA-N 343.402 2.609 0 50 EFAA COCCN(Cc1ccncc1)C(=O)N[C@H](C)c1nc(C)cs1 426518460 ZGQRKYDJERHTJT-CYBMUJFWSA-N 334.445 2.766 0 50 EFAA O=C1CN(C(=O)NCc2cc3ccccc3s2)[C@@H]2CCCC[C@@H]2N1 333001303 UZGIZAJIRZJOMR-LSDHHAIUSA-N 343.452 2.854 0 50 EFAA CN(C)c1n[nH]c(C2CCN(c3nc(C(F)(F)F)cs3)CC2)n1 288360173 GXIALLUWEMPWTP-UHFFFAOYSA-N 346.382 2.730 0 50 EFAA COc1ccc2c(c1)c(C(=O)N1CC(C)(C)[C@](C)(O)C1)c(C)n2C 91562671 HJFLZBGCAKTBHS-LJQANCHMSA-N 330.428 2.728 0 50 EFAA Cc1c(F)cccc1CN1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 91326598 CJZHCBVERRTXRO-OAHLLOKOSA-N 348.462 2.720 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)o1 95528231 ICOMBBQGMUXKHV-GFCCVEGCSA-N 330.384 2.535 0 50 EFAA CCCn1cc(NC(=O)N(Cc2ccsc2)C[C@H]2CCCO2)nn1 95523745 GNHBTEPFWUHRSH-CQSZACIVSA-N 349.460 2.963 0 50 EFAA CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)CC1=O 91694230 UAQXJEFMMANDRJ-NSHDSACASA-N 326.799 2.742 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCOc1ccc(F)cc1)C2 91780414 YHQYCGQYZPYQGW-CQSZACIVSA-N 345.370 2.581 0 50 EFAA CCCNC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C 97076753 OWGLVYXIOXMSCT-INIZCTEOSA-N 329.444 2.587 0 50 EFAA CCN(C(=O)c1sc2cccc(F)c2c1Cl)[C@H]1COC[C@@H]1O 91650734 WLEZXMJMIPLMAC-UWVGGRQHSA-N 343.807 2.916 0 50 EFAA O=c1cc(N2CCCCC2)cnn1Cc1cncn1Cc1ccccc1 95376662 WQPKNKRFFVJURC-UHFFFAOYSA-N 349.438 2.527 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc3c(c1)CCO3)C2 95523895 XEYJUJJBHAJPSK-ZDUSSCGKSA-N 339.391 2.611 0 50 EFAA C[C@@H]1CN(Cc2cccc(N3CCOCC3)c2)CC[C@@]1(O)C1CCC1 92037020 CFJWLOWATJRXJO-UTKZUKDTSA-N 344.499 2.896 0 50 EFAA O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(CN2CCCC2)o1 91503674 DCQYRXDYTPDSEM-OAHLLOKOSA-N 340.423 2.857 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)on1 91942981 JWKWWLYUQHGTOR-ZDUSSCGKSA-N 327.384 2.928 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@]2(CCOC2)C1 91817749 HTIUTKYSJYSVOI-IBGZPJMESA-N 325.412 2.579 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 248150517 TVLXIULOHFDSQD-ZWKOTPCHSA-N 342.418 2.710 0 50 EFAA O=S1(=O)CCC[C@H](Cc2nc(-c3ccc(Cl)cc3F)no2)C1 293356471 NRJGNFDNWCVULR-SECBINFHSA-N 344.795 2.896 0 50 EFAA Cc1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)nnn1C 294063311 PWZLWTCKNUESLH-UHFFFAOYSA-N 347.850 2.518 0 50 EFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@H]1CC[C@@H](CO)C1 296898118 ONWAZKGSJRJYHH-RISCZKNCSA-N 330.350 2.974 0 50 EFAA Cc1ccsc1CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 298931037 CCEGJQBRKICJFN-CYBMUJFWSA-N 332.425 2.961 0 50 EFAA C[C@H](CC(=O)c1cccs1)NC(=O)Cc1ccc2c(c1)NC(=O)C2 183730508 HKBUVFXHNFUFDC-LLVKDONJSA-N 342.420 2.563 0 50 EFAA Cc1nc(C(=O)N(CC(F)(F)F)C2CC2)nn1-c1ccc(F)cc1 299123005 HXYFORWTSVGWQI-UHFFFAOYSA-N 342.296 2.882 0 50 EFAA CCCCc1ncc(CN2CCN(c3ccc(C(=O)O)cc3)CC2)[nH]1 534633595 SABIAGANBCOFPU-UHFFFAOYSA-N 342.443 2.773 0 50 EFAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 299749682 LHLTVPVIVFSUFU-LSDHHAIUSA-N 335.425 2.512 0 50 EFAA O=C(c1cnc2ccccn2c1=O)N1CCC2(CCCCCC2)C1 363420857 CJMYKXAVEPHJNA-UHFFFAOYSA-N 325.412 2.881 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1oc2ccccc2c1C 299762847 BYHZHQNUKKDJQQ-CABCVRRESA-N 328.412 2.910 0 50 EFAA CC(=O)c1cc(CC(=O)NCc2cn3cccc(C)c3n2)cs1 827855245 IEUWQIXITLNKOI-UHFFFAOYSA-N 327.409 2.766 0 50 EFAA CC(C)n1ncnc1-c1ccc(C(=O)NCCc2nccs2)cc1 584893360 NEKAIPWTLMJCOY-UHFFFAOYSA-N 341.440 2.955 0 50 EFAA Cc1nc(-c2cccc(C(=O)NCC(F)(F)F)c2)c2cnn(C)c2n1 584900767 OHQDFSRLOLQQPG-UHFFFAOYSA-N 349.316 2.631 0 50 EFAA CCn1ncc(Cl)c1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 1433439412 IWAOEMFCOXANIZ-ZDUSSCGKSA-N 332.835 2.690 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCCN3C)c2c1 952869218 GJLKDVYBFIADEE-SFHVURJKSA-N 329.444 2.710 0 50 EFAA COC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccnn1C 952965883 CZHYPPJBXFBUBU-GWJCSSMESA-N 342.424 2.547 0 50 EFAA 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EFAA O=C(O)CCN(CC1CC1)C(=O)c1ccc(Br)cc1 675970283 NJXSKZXFDNNEQY-UHFFFAOYSA-N 326.190 2.776 0 50 EFAA COC1(CNC(=O)N2CCS[C@H]3CC[C@@H]32)CCC(F)(F)CC1 2325756528 QDPSGELYFIPEOL-RYUDHWBXSA-N 334.432 2.870 0 50 EFAA NC[C@H]1Cc2cc(F)ccc2N(Cc2ccc(-n3cccn3)nc2)C1 2325774262 XVPBOIWEPPAIBQ-OAHLLOKOSA-N 337.402 2.544 0 50 EFAA O=C(CCCc1ccc(-c2nc(=O)o[nH]2)cc1)N1C2CCC1CC2 2325822390 UVMAHANHUSXAKA-UHFFFAOYSA-N 327.384 2.506 0 50 EFAA O=C(O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cnc(C2CC2)o1 910098515 ODBXJPXSZNZJJV-UONOGXRCSA-N 326.352 2.983 0 50 EFAA CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N2CCCCC2)[C@H]1O 293721 HZFAZVKVQKOGJZ-SJLPKXTDSA-N 329.396 2.852 0 50 EFAA biogenic COc1ccc2c(c1)SC1=NC(=O)[C@@H](Cc3ccccc3)C(=O)N12 316126 TZLQDAXJSITRIB-CYBMUJFWSA-N 338.388 2.889 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC1 358511 WIIINBMWWTZZJQ-UHFFFAOYSA-N 334.372 2.975 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 414670 PUGDPGRUYMAXFO-UHFFFAOYSA-N 342.376 2.822 0 50 EFAA 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344.455 2.598 0 50 EFAA CCc1cccc(OC[C@H](O)CSc2ncccc2C(=O)OC)c1 354939726 MESBNYYDPJTOQU-AWEZNQCLSA-N 347.436 2.963 0 50 EFAA Cc1ccc2oc(S[C@H]3CCCN(c4ccn(C)n4)C3=O)nc2n1 253419393 RRAOLQKIYOWSSX-LBPRGKRZSA-N 343.412 2.552 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CCCN(c2cncc(F)c2)CC1 328587327 BKDLYFLLUUCPGA-UHFFFAOYSA-N 343.402 2.598 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N1CCCN(c2nccs2)CC1 242087933 WAJWWYYFTRWSNI-UHFFFAOYSA-N 348.476 2.744 0 50 EFAA Cc1ccsc1-c1nsc(NC(=O)N2CCC[C@@H](CO)C2)n1 154107816 VYPPHHPZGXNAMZ-SNVBAGLBSA-N 338.458 2.811 0 50 EFAA CC(C)c1csc(C(=O)NCc2ccccc2-n2cncn2)n1 215766311 BYFCYHDWYWIXEP-UHFFFAOYSA-N 327.413 2.777 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N[C@H](CC)C(=O)OC(C)(C)C)cc1 490730371 GXYSXWXZUWACFO-CQSZACIVSA-N 332.400 2.661 0 50 EFAA Cc1ocnc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 370573066 YTZMGIYTAVQUQP-SJKOYZFVSA-N 330.388 2.683 0 50 EFAA O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CC[C@@H](CO)C1 156940855 PTVRZOVHZQIZKQ-OAHLLOKOSA-N 341.455 2.925 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1C 71747534 WPLPMSYTFISJRS-JXFKEZNVSA-N 344.455 2.786 0 50 EFAA COc1cc(/C=C/C(=O)N2CCC(CN)CC2)cc(Cl)c1OC 237160457 MOYGNVKDZCKNLD-ONEGZZNKSA-N 338.835 2.568 0 50 EFAA CCCCNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 77375087 FLMFEUBEQCPIOY-UHFFFAOYSA-N 325.416 2.655 0 50 EFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2ncc[nH]2)C1 77356302 XBONPCQAKZRIRU-AWEZNQCLSA-N 348.410 2.963 0 50 EFAA CC(=O)c1c(C)cc(C)c(CN2CCOC[C@H](CN(C)C)C2)c1C 72166363 YFKLYJZNRVEFBF-GOSISDBHSA-N 332.488 2.824 0 50 EFAA CCc1ccnc(CNC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 241383425 MVGSNPSAWDPWDJ-MSOLQXFVSA-N 343.402 2.801 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)n1 222398180 QGBSUSUQVLGOBU-QEJZJMRPSA-N 345.468 2.774 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@@H](c2cccs2)C1 132017392 FHRQQRPVPHYXBR-SNVBAGLBSA-N 343.330 2.771 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)c2cccc(Cl)c2)n1 82230617 CXCCPZFZCZZZBN-UHFFFAOYSA-N 333.823 2.712 0 50 EFAA 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CC[C@@H](C)[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 334162789 ZJYOXWYWXNGDPU-SJKOYZFVSA-N 333.428 2.948 0 50 EFAA C[C@H](NCc1c[nH]c2nccnc12)c1ccc(N2CCOC2=O)cc1 290823454 HEZZNASCANHXOK-LBPRGKRZSA-N 337.383 2.765 0 50 EFAA Cc1cc(C)nc(N2CCC(NCCCNc3cccnc3)CC2)n1 95502343 KZCLUOBLAQCTNH-UHFFFAOYSA-N 340.475 2.549 0 50 EFAA O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@@H]2CCCNC2)cc1 95382858 YUZMPJCHOKSEMP-GOSISDBHSA-N 338.455 2.560 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)C1 179000405 NWUNXSYKQGSCHM-NWDGAFQWSA-N 330.350 2.541 0 50 EFAA CCOc1cccc([C@@H](C)NC(=O)c2cc(Cn3cccn3)on2)c1 292285818 YHYRRIWBJATDDV-CYBMUJFWSA-N 340.383 2.809 0 50 EFAA CN(CC(=O)Nc1cccc(C(=O)O)c1)[C@@H](c1ccccn1)C1CC1 243956710 CCKOLTBLCYLHDY-GOSISDBHSA-N 339.395 2.801 0 50 EFAA O=C(CN1CCC(c2ccccc2)CC1)N[C@H]1CC[C@@H](C(=O)O)CC1 244723479 MCJNHRHKIHLSKW-HDICACEKSA-N 344.455 2.626 0 50 EFAA CC(C)(C(=O)N1CC[C@@H](CN2CCCC2)C1)c1ccc2c(c1)OCO2 292790164 MRVSKPOGSMHLJS-HNNXBMFYSA-N 344.455 2.637 0 50 EFAA 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COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc1OC 17056964 DHEXUTJZUVXJGM-HNNXBMFYSA-N 348.399 2.673 0 50 EFAA Cc1ncc2c(c1-c1noc(CCc3cccs3)n1)CCNC2 19221537 LTLDHZCBKUFCNA-UHFFFAOYSA-N 326.425 2.932 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223255807 IXDNSGBYZIIXMR-CEXWTWQISA-N 349.434 2.535 0 50 EFAA Cc1cc(=N[C@@H]2CCCc3c2c(C)nn3C)[nH]c(-c2cccnc2)n1 1857676123 OQFQCHMAPOCECS-OAHLLOKOSA-N 334.427 2.800 0 50 EFAA Cc1nc(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)cs1 1857690181 DLDZVRWREAFANR-SFHVURJKSA-N 343.452 2.701 0 50 EFAA CCN(Cc1nc(-c2ccc(C)cc2)no1)CC1COCCOC1 1857699071 GSLIHJNRYMLPHE-UHFFFAOYSA-N 331.416 2.530 0 50 EFAA CCc1cccc(OCCCN(C)C(=O)[C@H]2CC[C@@H](OC)[C@H](N)C2)c1 1857729928 JIOMVGYVDVQJFQ-QXAKKESOSA-N 348.487 2.619 0 50 EFAA Cc1ccccc1-c1nnc(CN2CCC[C@H](Cn3cncn3)C2)o1 119562144 RBCVIHUKCFLOGT-HNNXBMFYSA-N 338.415 2.549 0 50 EFAA COc1ccc2c(c1OC)C(=O)N(c1ccc(C(C)=O)cc1)C2=O 324903 JHXZNUSAPQCCMP-UHFFFAOYSA-N 325.320 2.707 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@@H]1CCCOC1 328617941 DGCORCUFYUOPTJ-QRFRQXIXSA-N 345.487 2.740 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 238074273 GVTUGCIBAUTPDG-FRRDWIJNSA-N 327.302 2.885 0 50 EFAA CN(C)C[C@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1 129592984 QVCNREWXYCTRMU-QGZVFWFLSA-N 325.456 2.975 0 50 EFAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 240786048 HZVSSFTWLJEYSZ-XOYOTBSWSA-N 332.444 2.816 0 50 EFAA COc1ccc(C(=O)NCCN2CCCCC2)c(OC(F)F)c1 252491969 MALHITORSOXJRH-UHFFFAOYSA-N 328.359 2.512 0 50 EFAA COCCN(Cc1ccc(F)cc1Cl)c1ncnc2c1ncn2C 676312846 WBGOEPVGPGFAQL-UHFFFAOYSA-N 349.797 2.809 0 50 EFAA O=C(O)[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263573952 NCHMSAHAIUGEES-TVQRCGJNSA-N 343.210 2.505 0 50 EFAA C[C@@]1(Cn2cc(CNC(=O)c3ccccc3)nn2)CC1(Cl)Cl 900578909 AGROQHGGDJJOMA-AWEZNQCLSA-N 339.226 2.792 0 50 EFAA CCN1C[C@H](c2noc(-c3cc(C)c(Br)o3)n2)CC1=O 904100172 OIBPJBZKGWVQPA-MRVPVSSYSA-N 340.177 2.736 0 50 EFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cc(C(F)F)on1 931138247 KUPBTYIUKROUFS-JTQLQIEISA-N 341.318 2.519 0 50 EFAA CCn1cnc2c1CCN(C(=O)Nc1cc(C)cnc1OC(C)C)C2 931584355 UWSNNJVEWQJQMQ-UHFFFAOYSA-N 343.431 2.984 0 50 EFAA COCc1nccc(NC(=O)N2CCC[C@H](Cc3nccs3)C2)n1 931957296 WSABTIJLERDPHE-GFCCVEGCSA-N 347.444 2.566 0 50 EFAA Cc1ccnc(C2CCN(S(=O)(=O)CC3CC4(CCC4)C3)CC2)n1 872471579 JSBDLONXZMWBGT-UHFFFAOYSA-N 349.500 2.875 0 50 EFAA C[C@H](O[C@@H](C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C(=O)O 872914306 FGSIXIFTXZZZHV-STQMWFEESA-N 344.411 2.752 0 50 EFAA CC(C)(C)OC(=O)c1cc(N2C[C@H]3CCOC[C@@H]3C2)c(C2CC2)nn1 1875320957 OXEVKWGLHIBNHD-KGLIPLIRSA-N 345.443 2.782 0 50 EFAA Cc1nc2ccccc2cc1C(=O)N1CCNC[C@H]1CC(F)(F)F 1875308274 XNXZBBBUNPFGKZ-CYBMUJFWSA-N 337.345 2.910 0 50 EFAA CCc1cccc2[nH]c(C(=O)N[C@H](CO)Cc3nccs3)cc12 1875319911 XUTMFKFAATXEOA-LBPRGKRZSA-N 329.425 2.520 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2cc(C)nc3c2CCCC3)CC1 1875305779 IBXLXTFYSWHZQC-SFHVURJKSA-N 332.444 2.580 0 50 EFAA Cc1noc(C(C)(C)CNC(=O)c2ccc3c(c2)[C@H]2CC[C@H]3O2)n1 1875319142 QMQGKGHVSDNTNT-HUUCEWRRSA-N 327.384 2.992 0 50 EFAA c1ccc(Sc2nc(N3CCCC3)nc(N3CCCC3)n2)nc1 1875391155 OIMDSYJAOLLJMS-UHFFFAOYSA-N 328.445 2.618 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)NCc1n[nH]c2c1CCCC2 1775988220 CHXGDNUHVJRVLJ-ZDUSSCGKSA-N 325.412 2.861 0 50 EFAA COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(Br)c1O 23114912 FJHGLZCTEJNHPV-UWVGGRQHSA-N 330.222 2.773 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(Br)o2)C1 379276588 OWEKJRRPNDBLAD-SVRRBLITSA-N 341.127 2.536 0 50 EFAA CCc1nnc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)s1 106944 GMEXJRIFQKMJOE-SFHVURJKSA-N 337.404 2.954 0 50 EFAA CCC[C@@]1(CO)CN(Cc2ccc3cccc(F)c3n2)CC[C@H]1O 2100542844 ISPNOGNHOVAZGU-MJGOQNOKSA-N 332.419 2.719 0 50 EFAA Cn1c(CCNC(=O)c2ccc3c(c2)NCCCN3)nc2ccccc21 2325812111 OXBHJRQRXLDLLJ-UHFFFAOYSA-N 349.438 2.773 0 50 EFAA O=C(NC(=S)NC[C@H]1OCCc2ccccc21)c1ccccc1 612602 METHSMHAQHOJQA-MRXNPFEDSA-N 326.421 2.605 0 50 EFAA O=C1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)[C@@H](c2ccccc2)O1 617685 ZLKSYHINXQLYIC-GDBMZVCRSA-N 325.320 2.628 0 50 EFAA COc1ccc2[nH]nc(CN3CCC[C@]4(CCc5c[nH]nc54)C3)c2c1 2356143081 UQQWBVCUVGULFG-IBGZPJMESA-N 337.427 2.775 0 50 EFAA CCOc1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 4841225 REEFBYUPYQEVAA-UHFFFAOYSA-N 338.363 2.991 0 50 EFAA CCc1ccc(OCC(=O)NCc2nc(-c3ccccc3)no2)cc1 4852083 NDUARKRUOGXPJZ-UHFFFAOYSA-N 337.379 2.994 0 50 EFAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCc1conc1C(F)(F)F 225858507 ZXTABSMZWWBXNM-KOLCDFICSA-N 337.294 2.711 0 50 EFAA CCC[C@H](C)c1n[nH]c2c1CN(C(=O)[C@H]1CC(C(C)C)=NO1)CC2 20778285 VADFOGVKUYCEFQ-BLLLJJGKSA-N 332.448 2.999 0 50 EFAA CC[C@@H](c1nc(-c2c(C)ncc3c2CCNC3)no1)N1CCCC1 20481188 FVEUMSXYNBEFJY-HNNXBMFYSA-N 327.432 2.633 0 50 EFAA COc1ccccc1CN(C(=O)[C@@H](C)Cn1nc(C)nc1C)C1CC1 55197650 PUSQHTHIBNSPLP-ZDUSSCGKSA-N 342.443 2.731 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C2=O 26896099 NQUQKYBHLOZWLJ-IYBDPMFKSA-N 330.428 2.554 0 50 EFAA CCN(CC(=O)N1CCCCCC1)C(=O)c1cc(-c2ccco2)[nH]n1 343586705 DXJUPEDQFQIDHH-UHFFFAOYSA-N 344.415 2.534 0 50 EFAA CCCc1cc(C(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)ccn1 67805319 HLWPTCRAOYZVJA-UHFFFAOYSA-N 343.471 2.899 0 50 EFAA CC[C@@H](NC1CSCCSC1)c1ccc(S(C)(=O)=O)cc1 67983470 JFYAGKUERSYUFP-OAHLLOKOSA-N 345.555 2.979 0 50 EFAA CC(=O)Nc1ccccc1NC(=O)CN[C@@H](C)Cc1ncccc1C 65425298 WFNMFDHXLYOBMS-AWEZNQCLSA-N 340.427 2.508 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H]1[C@H]3CCO[C@H]3C13CCC3)CO2 252477366 MQKUPPDSQZTGNQ-ODVANORSSA-N 328.412 2.685 0 50 EFAA CCSc1nc2ncc3c(=O)n(-c4ccccc4F)ccc3n2n1 38783722 INSCJXCEYWECPC-UHFFFAOYSA-N 341.371 2.680 0 50 EFAA CC(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)no1 77355045 BIXFNZLQARJLKR-UHFFFAOYSA-N 328.416 2.541 0 50 EFAA O=C(c1cncc(F)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 119068831 ZGMVJWPSAQGQOB-ZDUSSCGKSA-N 343.406 2.558 0 50 EFAA COCCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396436 OQGXVIBHLVRCIG-KBAYOESNSA-N 347.455 2.868 0 50 EFAA O=C(NC[C@]1(CCO)CCOC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 253393269 XRAJQQMFIDPOPY-ZFWWWQNUSA-N 349.324 2.621 0 50 EFAA C[C@@H]1CCCC[C@H]1OCCN1CCC[C@@H](c2ccnn2CCO)C1 229752626 CNVUBZVGIGHPGJ-ZHALLVOQSA-N 335.492 2.650 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)C[C@@H]1N1CCOCC1 257365944 CWHQKXPWLONDGQ-FZCLSBEQSA-N 346.471 2.515 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)CC(C)(C)CN1CCOCC1 215355906 NMGGYXGSWRDELR-LJQANCHMSA-N 345.531 2.803 0 50 EFAA Cc1ncc(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)c(C2CC2)n1 366875270 ZGEOCHANOMBWCZ-CYBMUJFWSA-N 336.395 2.518 0 50 EFAA O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1cccc(=O)[nH]1 215434841 QIOWCFSCCJGDET-QGZVFWFLSA-N 339.782 2.943 0 50 EFAA CN1C[C@@]2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O 72153289 IFGALXMWPRWVFA-OAHLLOKOSA-N 343.210 2.589 0 50 EFAA C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCN2)CCN1Cc1ccccc1 237585899 LUYVLTXLBJDTMW-QRQLOZEOSA-N 329.488 2.640 0 50 EFAA CN(Cc1nc2cc(F)ccc2o1)CC(C)(C)CN1CCOCC1 124020765 GPEDYZFMPNMDAD-UHFFFAOYSA-N 335.423 2.757 0 50 EFAA COC(=O)c1cccc(NC2CCN(C(=O)c3cccn3C)CC2)c1 124150076 AFFGGKIDLLFELH-UHFFFAOYSA-N 341.411 2.528 0 50 EFAA O=C(Cc1cc(F)ccc1F)N1CC[C@]2(C1)C(=O)Nc1ccccc12 372262488 RCLPVYYBMVALKQ-LJQANCHMSA-N 342.345 2.630 0 50 EFAA CC(=O)NCCN1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 71765468 AXIMFWGUFDEKRK-AWEZNQCLSA-N 342.361 2.736 0 50 EFAA CC(C)(C)c1ncc(C(=O)NCCc2cccc(Cl)c2)c(=O)[nH]1 77379459 BPUQXIHDLQTHNU-UHFFFAOYSA-N 333.819 2.693 0 50 EFAA CNC(=O)[C@H]1CCN(Cc2nc(-c3ccc(SC)cc3)oc2C)C1 71759851 BDFNPUVJQPXBMK-AWEZNQCLSA-N 345.468 2.940 0 50 EFAA Cc1nc2ccc(NC(=O)N3CCC(c4nncn4C)CC3)cc2o1 126238069 FLYIUQVLRJTMBK-UHFFFAOYSA-N 340.387 2.676 0 50 EFAA C[C@H](Oc1cccc(F)c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O 262770770 ABTCLEXHBDJWDM-SUMWQHHRSA-N 345.370 2.747 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1nc2ccccc2n1C 262874348 DIWAVIKVJYADKS-AVGNSLFASA-N 329.400 2.642 0 50 EFAA Cn1ccnc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 378366268 APRBPJSXMTZPAR-INIZCTEOSA-N 339.374 2.927 0 50 EFAA COc1ccc(CCCNC(=O)c2ccc(-c3cncnc3)nc2)cc1 71440070 WIOWQBPDSRFEJO-UHFFFAOYSA-N 348.406 2.910 0 50 EFAA O=C(C1CCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1 127760634 DAQYMCUVPWFQFG-MSOLQXFVSA-N 338.455 2.880 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1=O 77394314 SUBLHYJIJMDIRF-UHFFFAOYSA-N 344.798 2.843 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](c2nccs2)C1 171855175 CQRZRNLWSILLMH-AWEZNQCLSA-N 342.424 2.552 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)c2ccccc2-c2nccn2C)C1 82091248 KWHNTKGKOHNRBS-HNNXBMFYSA-N 326.444 2.643 0 50 EFAA C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(-c2ncn[nH]2)c1 287498638 UNBYVCKXAKPDTP-XJKSGUPXSA-N 328.416 2.627 0 50 EFAA CCCn1c(O)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 242263369 XYKAOQAZFKOXGB-UMSGYPCISA-N 340.493 2.815 0 50 EFAA COc1ccc([C@H](NC(=O)c2sccc2C)C(=O)O)c(OC)c1 455910118 BFQYKWRZSFDLOR-ZDUSSCGKSA-N 335.381 2.629 0 50 EFAA Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 173977016 YPQARIWJWXIYJI-MRXNPFEDSA-N 337.379 2.543 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCC2CCCCC2)C1 426719778 BYCMTVWLRRJUIV-OAHLLOKOSA-N 332.448 2.605 0 50 EFAA O=C1Nc2ccccc2NC12CCN(Cc1nc3ccccc3[nH]1)CC2 82120648 LOKACQYKUWMWNJ-UHFFFAOYSA-N 347.422 2.962 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2cccc3nn(C)nc23)c1 426444378 BLUQSIAOHYUQAQ-ZDUSSCGKSA-N 338.415 2.767 0 50 EFAA Cn1c(SCCOCc2ccccc2)nnc1[C@@H]1CCCNC1 426523559 QENOSADKOLYFAT-OAHLLOKOSA-N 332.473 2.591 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 230067159 WHIUIPRZFXECTC-HUUCEWRRSA-N 339.457 2.644 0 50 EFAA COc1ccc(F)c([C@H](C(=O)O)N(C)Cc2cc(C3CC3)[nH]n2)c1 95386596 SWEYHEYUWUXNCK-MRXNPFEDSA-N 333.363 2.693 0 50 EFAA COCCc1nc(C2(c3ccc(Cl)cc3)CCC2)n(CCO)n1 91745755 UIMYXDIDONWPLR-UHFFFAOYSA-N 335.835 2.583 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCCc1nc(-c2ccccc2)no1 95373832 KKWMAADREHDFLY-INIZCTEOSA-N 342.443 2.660 0 50 EFAA CC(C)(C)c1n[nH]cc1CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 179053781 ZPZBKFQZRKXFSS-MRXNPFEDSA-N 340.471 2.846 0 50 EFAA CCCn1cc(C(=O)N2CCC(CCn3cccn3)CC2)c(C)n1 91649875 SVHFWNKGVXCPNQ-UHFFFAOYSA-N 329.448 2.741 0 50 EFAA Nc1c(F)cc(Br)c(F)c1I 232156320 RFJWYXNDUAVDKY-UHFFFAOYSA-N 333.901 2.914 0 50 EFAA CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 91694134 UBLGDSMHZWBHHN-UHFFFAOYSA-N 339.439 2.726 0 50 EFAA COc1cc(C(=O)N2CCCC3(CCOCC3)C2)cc(OC)c1OC 244811807 SLPOJSZBWNIVDN-UHFFFAOYSA-N 349.427 2.745 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](n3cncn3)C2)cc1 179470801 KKBLATALBKHNIP-MRXNPFEDSA-N 338.415 2.514 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)c2csnc2C)CC1 179664456 VRYJFFIJJVZDES-UHFFFAOYSA-N 331.441 2.813 0 50 EFAA O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)Nc1nccs1 244899287 ZGVPVSYOEPFHJX-UHFFFAOYSA-N 349.431 2.594 0 50 EFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1n[nH]c2c1CCCC2 607345267 VSIFMQKTFMOZNK-QGZVFWFLSA-N 335.411 2.656 0 50 EFAA O=C(COc1cccc2ccccc12)NCc1nc(C(=O)O)cs1 181862807 UHOAKRGXQZLTPT-UHFFFAOYSA-N 342.376 2.690 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)NCc1noc([C@@H]2CCCO2)n1 299772907 ATVSGBGTHHNPHN-HNNXBMFYSA-N 340.383 2.651 0 50 EFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(C)c(C)cc1OC 823086679 QWJFAONNQIOKOA-HNNXBMFYSA-N 341.473 2.892 0 50 EFAA Cn1cc([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nn1 1472329808 YHMWUPOMUKYXRU-OAHLLOKOSA-N 337.427 2.635 0 50 EFAA C[C@H]1c2ccc(F)cc2CCN1C(=O)N[C@H]1CCc2c[nH]nc2C1 675204674 QXYLYBSUMWEAHJ-NHYWBVRUSA-N 328.391 2.735 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@@H]1CCN(C2CCCCC2)C1 659407936 OGGPSULTSIUDBG-MRXNPFEDSA-N 345.443 2.591 0 50 EFAA Cc1cc(C)c(S(=O)(=O)NCc2ccccc2CC(=O)O)c(C)c1 275382844 ZUNPAEIWMCBSBM-UHFFFAOYSA-N 347.436 2.717 0 50 EFAA COC(=O)[C@H](C)CN(C(=O)c1ccc2nc(S)oc2c1)C1CC1 170647563 HQRUCGIMKNEXSU-SECBINFHSA-N 334.397 2.530 0 50 EFAA Cc1cnccc1CNC(=O)NC1CCN(C2CCCCC2)CC1 187409220 RSUWZRCWWBJQNA-UHFFFAOYSA-N 330.476 2.986 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCC3)C1 190049102 YDFCJHSVGNNLTL-VXGBXAGGSA-N 333.413 2.530 0 50 EFAA COCN1C(=O)CCc2cc(NCc3cnn(C(C)C)c3)ccc21 191953752 JBIQOAWFPBIBGA-UHFFFAOYSA-N 328.416 2.959 0 50 EFAA CN(Cc1ccccc1)C[C@@H](O)COc1cccc2c1OCCC2 647614475 ZWTPYNHJRYGNCW-GOSISDBHSA-N 327.424 2.883 0 50 EFAA Cc1nn(C)c(NC(=O)NCc2ccccc2F)c1Br 647984425 VHKWVYBYUKXJGT-UHFFFAOYSA-N 341.184 2.952 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCC(O)CC1 194071510 GNWTVTZYUZOUPX-UHFFFAOYSA-N 330.428 2.802 0 50 EFAA Cc1n[nH]nc1C(=O)N(Cc1cccc(Br)c1)CC1CC1 194589462 NXQQQUCPISVQSE-UHFFFAOYSA-N 349.232 2.928 0 50 EFAA Cc1noc2ncc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)cc12 194694825 YJUMSHBZXWOHQC-SECBINFHSA-N 336.351 2.517 0 50 EFAA COc1ccc2c(c1)OCCN([C@@H](C(=O)O)c1ccc(F)cc1)C2 652446635 OWVVLKWLSWGUJX-QGZVFWFLSA-N 331.343 2.855 0 50 EFAA COc1ccc(C)cc1CCNC[C@@H]1CCO[C@H]1c1nccn1C 667769509 YQRZCGWQEPJBHT-FUHWJXTLSA-N 329.444 2.647 0 50 EFAA O=C(NC1CC1)[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 656130344 UQBSLEHMAKLEML-GUDVDZBRSA-N 327.472 2.613 0 50 EFAA O=C(CCCc1cccs1)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616082020 SFXOBPRVBILUQE-RDJZCZTQSA-N 330.453 2.528 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529191294 WDXARGNCNFLGJF-QZTJIDSGSA-N 348.874 2.594 0 50 EFAA Cc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1Cl 1529178406 KMXJUQUUMUVOPY-QLFBSQMISA-N 334.847 2.977 0 50 EFAA Cc1sc2ccccc2c1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704315938 RXHGBVOJEBMXIX-CALCHBBNSA-N 331.393 2.571 0 50 EFAA COC(=O)C(F)(F)[C@](F)(Br)C(F)(F)Br 8698344 WJHDKPUBABRPCK-SCSAIBSYSA-N 349.875 2.843 0 50 EFAA in-vitro O=C(Nc1ccc(Cl)cc1Cl)N1C[C@@H]2COCC[C@]2(CO)C1 1772710549 XOOGLLRGOBGIJT-MEBBXXQBSA-N 345.226 2.856 0 50 EFAA CCN[C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 12056768 BTOXUWPKGIPDPO-AWEZNQCLSA-N 339.464 2.973 0 50 EFAA CCOc1ccc(CCN2CN(CC)CN=C2S)cc1OCC 13572332 FTAMIGNEVNSPJB-UHFFFAOYSA-N 337.489 2.865 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(CC3CCCC3)CC2)C1 15075649 SPUBKSTXINGBEP-QGZVFWFLSA-N 333.520 2.632 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1C(C)(C)C 16489449 NXAOYXIIJDWHAA-BETUJISGSA-N 341.473 2.791 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C 16577333 JUOAZZKDQLLNFZ-KBPBESRZSA-N 327.446 2.582 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 19731158 JGCSMYPCPKHPEI-VUVZNRFTSA-N 343.448 2.931 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCC(=O)c1ccc(C)cc1 150338667 QDXLVRQIJGHQQG-DIECFANBSA-N 330.380 2.556 0 50 EFAA aggregator COCc1c(C(=O)O)cnn1-c1ncc(C)c(-c2cccs2)n1 202387844 NNJODBXFLUVRQW-UHFFFAOYSA-N 330.369 2.544 0 50 EFAA O=C1CCc2c1cccc2C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1857687994 OOOTYMXWSJPXLA-FQEVSTJZSA-N 335.407 2.659 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cccc2cnccc12 328949458 HGAIQHNGRBXBNN-QGZVFWFLSA-N 336.395 2.788 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)[C@@H](c2ccccc2)CO1 241213348 KOGFOXSCQJLFBN-IUODEOHRSA-N 335.354 2.750 0 50 EFAA O=S(=O)(c1ccccn1)N1CC[C@](F)(c2cccc(Cl)c2)C1 337960734 GOIHCTZJBAIPBJ-OAHLLOKOSA-N 340.807 2.994 0 50 EFAA CCc1cccc(C)c1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 131516110 NSEFFTUJFDWNHA-CQSZACIVSA-N 335.429 2.516 0 50 EFAA CC1(C)Cc2n[nH]cc2CN(C(=O)c2nc(-c3ccccc3)no2)C1 1875282944 YWZZPRDLQIREOB-UHFFFAOYSA-N 337.383 2.684 0 50 EFAA CON(C)C1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 1875273836 URWBDDKUZVLPDW-HXUWFJFHSA-N 328.456 2.701 0 50 EFAA Cn1nccc1[C@@H](NC(=O)c1ccnn1C1CCC1)c1ccccc1 1875298083 NVBJBFKXWUWRDP-SFHVURJKSA-N 335.411 2.861 0 50 EFAA Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](C(F)(F)C(=O)O)C3)cc12 1875317551 CGBDNTGYNCKVEX-SECBINFHSA-N 340.301 2.797 0 50 EFAA O=S(=O)([C@H]1CC12CCC2)N1CCN[C@@H](c2ccccc2Cl)C1 1875397344 WTKFVKDHFNJUOM-CABCVRRESA-N 340.876 2.559 0 50 EFAA O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1c(Cl)cncc1Cl 886071986 UEZSFRYJUPLUMF-OQPBUACISA-N 341.198 2.619 0 50 EFAA O=C(N[C@H](CCO)C1CCCC1)c1ncccc1-c1ccccn1 889122487 WQCUVWUXFDPPPE-MRXNPFEDSA-N 325.412 2.815 0 50 EFAA Cn1nnc2cc(CNc3ccccc3CN3CCCC3=O)ccc21 1177575616 LDRSRWLUDGFWGX-UHFFFAOYSA-N 335.411 2.703 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCO[C@]3(CCCOC3)C2)n1 893814721 WPMJWCKESGSXMS-LJQANCHMSA-N 340.427 2.914 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)c3ccccc3O2)s1 1775999487 SCSNKWJERGPJMM-GFCCVEGCSA-N 331.397 2.808 0 50 EFAA CC(C)NC(=O)CCN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 159081033 DDCMHOWKZSMBCO-UXHICEINSA-N 343.515 2.888 0 50 EFAA O=C(Nc1ccnc(O[C@@H]2CCOC2)c1)C1CC(OC(F)(F)F)C1 2325780501 MNENEUWWXKMTLZ-CKBZRRDASA-N 346.305 2.503 0 50 EFAA CCc1cc(OC)ccc1CN1CCC([C@]2(O)C[C@@H](C(=O)O)C2)CC1 2325787392 YNGILWDLXNMKRK-MOBUCQHHSA-N 347.455 2.695 0 50 EFAA CN(CCNC(=O)c1nccc2[nH]ccc12)Cc1ccc2c(c1)CCC2 2325808644 PHSCADUUXVTVPT-UHFFFAOYSA-N 348.450 2.913 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(OC)c1 454630 OGNKQYRARFGWPU-UHFFFAOYSA-N 344.392 2.609 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2OC)c1 564059 HEIZHLVMDSTKAZ-UHFFFAOYSA-N 343.335 2.521 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@H](C)O1 614032 MNFOEQCBQZQOTM-UWVGGRQHSA-N 345.180 2.541 0 50 EFAA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c(F)c(F)c(F)c(F)c1F 4597203 OMYJDHRNKNSIDE-UHFFFAOYSA-N 343.211 2.804 0 50 EFAA COC(=O)c1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 6731081 GDDYSUGSUOJACG-UHFFFAOYSA-N 345.443 2.955 0 50 EFAA Cc1c(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)cnn1-c1ccccn1 102317787 DQXISHASTFAMAA-BFYDXBDKSA-N 334.423 2.908 0 50 EFAA Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1ccccc1 10315198 IEQFRAKITOGWOD-UHFFFAOYSA-N 332.425 2.934 0 50 EFAA Cn1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1=O 416035661 RFFBWTJNQVEAQT-OAHLLOKOSA-N 348.443 2.502 0 50 EFAA Cc1ncsc1CCC(=O)NCCC1=CSC2=NCCCN12 102679646 IJQSJYMOQPYCAY-UHFFFAOYSA-N 336.486 2.540 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCOC[C@@H]2CC(=O)O)s1 102547046 LMEBJXROMCNOMM-ZDUSSCGKSA-N 332.425 2.794 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2ccccn2)C1)c1nc2ccccc2[nH]1 67740551 ICLWHCDVFUIMLU-OAHLLOKOSA-N 349.438 2.600 0 50 EFAA COc1ccc(-n2nc(CC(C)C)nc2[C@H](C)n2cncn2)cc1 65396642 MNXWHKXPNCGUCM-ZDUSSCGKSA-N 326.404 2.675 0 50 EFAA COc1cnc(NCCCc2c(C)noc2C)nc1-c1ccnn1C 23506011 VSJTXAATOPIXJK-UHFFFAOYSA-N 342.403 2.535 0 50 EFAA CC(=O)NC[C@@H]1CCCN(Cc2nn(C)c3cccc(Cl)c23)C1 67879448 YFXORHXLDHMOON-ZDUSSCGKSA-N 334.851 2.575 0 50 EFAA Cc1oc(-c2cccs2)nc1CC(=O)N1[C@H]2CC[C@H]1CC(O)C2 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EFAA CN1CCCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 253419239 KXZXPGCOJUPTGT-HNNXBMFYSA-N 343.393 2.897 0 50 EFAA CCN1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 253404258 IHMGFIHYGMMVKP-BLLLJJGKSA-N 334.851 2.790 0 50 EFAA c1ccc(-n2cc(CN(Cc3ccccn3)C[C@@H]3CCCO3)nn2)cc1 72168199 QQNRPMLAYDGHGI-FQEVSTJZSA-N 349.438 2.844 0 50 EFAA Cc1ccc2c(CC(=O)N3CCO[C@@H](c4ncon4)C3)coc2c1C 328587216 IDHPOQXJGFCBDI-OAHLLOKOSA-N 341.367 2.575 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc(OC(F)F)cc2)CC1 328588332 BXWMGMQXSUWAPE-HNNXBMFYSA-N 337.370 2.957 0 50 EFAA CC(C)(CN1CCOCC1)CN1CCCN(c2ccccc2)CC1 32500657 CFYPBYBWTTYZFK-UHFFFAOYSA-N 331.504 2.557 0 50 EFAA Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H]2CCO[C@H]2C(C)(C)C)o1 239352155 ABGUUZVMXGINBS-JCKWVBRZSA-N 338.448 2.546 0 50 EFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](O)c1cncn1C)CCC2 239367313 AICYDRDZFNYOSX-AEFFLSMTSA-N 327.428 2.771 0 50 EFAA Cc1nc2ccc(C(=O)N3CCOC[C@@H]3c3ccco3)cc2n1C 370552210 QBNXCSBVPVLSLN-MRXNPFEDSA-N 325.368 2.688 0 50 EFAA O=C(NCc1ccccc1CN1CCCC1)N[C@@H]1CCO[C@H]1C1CC1 371216491 SWZFOXPNALJIAG-MOPGFXCFSA-N 343.471 2.649 0 50 EFAA C[C@@H]1CC(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2C1 71385041 UJSQCSWPAXSGLQ-NWDGAFQWSA-N 336.391 2.731 0 50 EFAA CNC[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 237290927 HQZKGWBTSGZZMV-CYBMUJFWSA-N 339.277 2.840 0 50 EFAA C[C@H]1CN(C(=O)c2cc3nccc(-c4cccs4)n3n2)C[C@H](C)O1 13644408 SDCYLURWWDQHHJ-RYUDHWBXSA-N 342.424 2.707 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C(C)C 77408333 PMHIUVWLVKXZLE-QGZVFWFLSA-N 326.444 2.817 0 50 EFAA C[C@@H](Cn1cccn1)NC(=O)COc1ccc(Cl)cc1Cl 42366960 NJEFBZXXGRGSJX-JTQLQIEISA-N 328.199 2.774 0 50 EFAA CO[C@@H](C)CS(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 241173084 KFXKQWHUDDQTDD-HOCLYGCPSA-N 340.489 2.782 0 50 EFAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C[C@H]1OCCc2ccccc21 241447009 NQLDGQAPWQSSDA-ATZDWAIDSA-N 328.456 2.776 0 50 EFAA COC(=O)c1cc2cc(Cn3nc(-c4ccco4)oc3=O)ccc2o1 172694894 SFIUTNYXPBIMKU-UHFFFAOYSA-N 340.291 2.677 0 50 EFAA COC[C@H]1CCCCN1C(=O)Cn1c(C)nc2cc(F)c(F)cc21 456955255 GVRFSNZWGHXVDV-GFCCVEGCSA-N 337.370 2.650 0 50 EFAA CC1CCC(=CC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 286134761 MUUNOKAYNAPRLR-FUBQLUNQSA-N 346.475 2.806 0 50 EFAA Cc1cc(CNC(=O)C2(C)CCN(Cc3ccccc3)CC2)n(C)n1 284294465 ZOEPKJMGEKEJIA-UHFFFAOYSA-N 340.471 2.647 0 50 EFAA Cc1noc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)n1 222659622 FIPBEXXJGYMNRI-QGZVFWFLSA-N 346.406 2.703 0 50 EFAA CCOc1ccccc1CN1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426647106 MMWWVGLSZDBIGQ-HNNXBMFYSA-N 343.427 2.746 0 50 EFAA CCCc1ncncc1C(=O)NC[C@H]1CCOc2ccccc2C1 96130833 KXTAUYHIAWEAJW-AWEZNQCLSA-N 325.412 2.800 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)CCOCc1ccccc1 177179347 CTUBYVHPOVBZHY-GOSISDBHSA-N 327.428 2.789 0 50 EFAA O=C(NC[C@@H](CO)Cc1cccs1)c1ccc(-n2ccnc2)cc1 97323986 PNMYLYNHJQXYKD-AWEZNQCLSA-N 341.436 2.515 0 50 EFAA Cc1cccc(CC(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 91535286 GYMVMYZMEYVZLK-UHFFFAOYSA-N 340.467 2.931 0 50 EFAA CN(CCCc1cnn(C)c1)C(=O)C1CCN(C2CCCCC2)CC1 95389432 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331.384 2.509 0 50 EFAA CC[C@H](C)Oc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 408512975 CEWSQOQQLCHCOY-LBPRGKRZSA-N 348.424 2.764 0 50 EFAA FC(F)(F)[C@H](CN[C@@H]1CCCC[C@H]1[C@@H]1CCOC1)n1cncn1 631691909 NYIPOZJQRFEYEJ-RQJABVFESA-N 332.370 2.566 0 50 EFAA CCc1cccc2c1N(C(=O)c1cc3c([nH]c1=O)CCCC3=O)CC2 169974373 MYINBZMGDVUKKI-UHFFFAOYSA-N 336.391 2.659 0 50 EFAA O[C@H](Cn1ccnc1I)c1ccc(Cl)cc1 170595828 GYAREDDQLBJYOX-SNVBAGLBSA-N 348.571 2.875 0 50 EFAA CO[C@H](C)CS(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1 170616457 RYKOCYRAEWKIAE-SNVBAGLBSA-N 325.352 2.502 0 50 EFAA C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 187748251 NTEJDCOVHSLUQD-LESCRADOSA-N 340.423 2.926 0 50 EFAA C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1csc(=O)[nH]1 193268419 JZMRVGNYRALLSX-LLVKDONJSA-N 328.393 2.673 0 50 EFAA CNC(=O)Cc1noc([C@H](C)Oc2ccc(C(F)(F)F)cc2)n1 195572259 RIILDHMZKODHKV-QMMMGPOBSA-N 329.278 2.517 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1F 657651919 URKXXNXEJYNLRP-SUMWQHHRSA-N 333.407 2.918 0 50 EFAA 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COc1ccc2c(c1)OC[C@H](Cn1ccnc1-c1cn(C)c(C)n1)C2 1875240524 ADYQRVJQVFZQAM-AWEZNQCLSA-N 338.411 2.852 0 50 EFAA O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1cscn1 225591342 QALCLTIIFDZOOY-UHFFFAOYSA-N 337.832 2.563 0 50 EFAA CCCOCC(=O)N1CCO[C@@H](c2ccccc2Br)C1 126804668 VPKXRJQNCAKHGI-CQSZACIVSA-N 342.233 2.776 0 50 EFAA CN(Cc1ccccc1F)C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237158301 BGVDOQIHUHHAIC-JQFCIGGWSA-N 348.418 2.502 0 50 EFAA Cn1ncc2c(O)nc(=NCC(C)(C)Cc3cccc(Cl)c3)[nH]c21 465059128 NGTBXWDYZCBIHG-UHFFFAOYSA-N 345.834 2.825 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCC[C@@H](C[C@@H]2CCOC2)C1 369839301 DLYIISRIMXDISN-HOTGVXAUSA-N 327.428 2.702 0 50 EFAA O=C(c1cc(=O)cc[nH]1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 934423740 PCPPMQMYDSIZKD-UHFFFAOYSA-N 336.313 2.708 0 50 EFAA Cc1ccccc1C(=O)N1CCC2(CC1)CN(C(=O)c1ccoc1)C2 944835193 HNWGFCOGTSZTPC-UHFFFAOYSA-N 338.407 2.966 0 50 EFAA O=C(NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC1(F)F 873582298 ANJKILTYINEVDK-SECBINFHSA-N 344.166 2.595 0 50 EFAA COc1ccc(Cl)cc1[C@H](C)NCc1cnn2c1CN(C)CC2 952889510 GDKJJXAHRXWPLQ-LBPRGKRZSA-N 334.851 2.841 0 50 EFAA C[C@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(OCC(=O)O)c1 952852407 LUIHGXJMACDFIU-ACJLOTCBSA-N 339.391 2.950 0 50 EFAA CCN(CCc1cccs1)S(=O)(=O)c1cnc2ccccn12 1875289802 PRSDQARXLIVOPF-UHFFFAOYSA-N 335.454 2.649 0 50 EFAA C[C@H]1CCCn2c(CC(=O)N3C[C@@H](CCN)c4ccccc43)cnc21 1875276565 BRBCYKSRUXRMIN-LSDHHAIUSA-N 338.455 2.802 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)[C@@H]1CC(=O)C1(C)C 1875323963 FCUVEQHPAVMBLL-LZLYRXPVSA-N 343.423 2.525 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1Nc1ncccn1 1875398129 CJLDMWRVEPRJTE-USXIJHARSA-N 335.411 2.592 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2ccoc2Cl)CC[C@@H]1C(F)(F)F 886035018 PRZNGDOONULESW-PSASIEDQSA-N 338.713 2.605 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H](C)c1ccc(F)cc1Cl 895062533 GTQUKNWBKULZPB-OWYVNGRQSA-N 330.787 2.643 0 50 EFAA C[C@H](O[C@@H](C)C(=O)N1CC(C)(C)c2ccc(Cl)cc21)C(=O)O 1776008218 UUGRCIGCBWLTRH-UWVGGRQHSA-N 325.792 2.842 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H](CN)c1ccccc1 170678107 LRESBGVJKKFGTQ-IBGZPJMESA-N 348.450 2.632 0 50 EFAA COc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c(=N)[nH]c1C 2100547350 GZAQUOFIDVXXEO-CQSZACIVSA-N 327.428 2.871 0 50 EFAA CCc1nc(O)ccc1-c1nc(-c2ccccn2)nn1[C@@H]1CCOC1 2100555587 XXDLFCXEXKNUMB-GFCCVEGCSA-N 337.383 2.632 0 50 EFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@H]1C[C@H]1c1cccc(F)c1 1857798386 CKJMTAKYXYVCDR-ATZCPNFKSA-N 326.582 2.734 0 50 EFAA COC(=O)c1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 20494165 OJFGADPGBIZSJH-GOSISDBHSA-N 327.380 2.726 0 50 EFAA biogenic O=C(NC1(C(=O)O)CC2(CC(F)(F)C2)C1)c1cc2ccccc2[nH]1 2325778414 YOXTYZBTEJSUKO-UHFFFAOYSA-N 334.322 2.930 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3nnn(C)c3C(F)F)cc2)c1C 2325792664 BKUFTWCGRJWZEI-UHFFFAOYSA-N 346.341 2.808 0 50 EFAA Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 7258 VSPFURGQAYMVAN-UHFFFAOYSA-N 338.390 2.653 0 50 EFAA in-vivo O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 50046 OYZODPKPLWSLQU-UHFFFAOYSA-N 325.773 2.517 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)cc1 126507 LLIATWXJDIGTLR-UHFFFAOYSA-N 329.360 2.532 0 50 EFAA C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1C(=O)c2ccccc2C1=O 193322 YLIGLOWKZYTPQO-SECBINFHSA-N 330.290 2.588 0 50 EFAA COc1cc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)cc2c1OCO2 2356143818 AAGLOVCNULWBNV-IBGZPJMESA-N 341.411 2.627 0 50 EFAA O=C1OC[C@H]2CN(C(=O)c3ccccc3OCc3ccccc3)C[C@@H]12 2356148818 UQGMIBKYRKMNSR-NVXWUHKLSA-N 337.375 2.511 0 50 EFAA CNS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 4749610 CEAGPEYUSCNRQU-UHFFFAOYSA-N 344.392 2.902 0 50 EFAA O=C(CSc1nc2ccccc2o1)N[C@H]1CCN2CCCC[C@@H]12 222127587 JUCZTCRVDADQAV-JSGCOSHPSA-N 331.441 2.663 0 50 EFAA Cc1ccc([C@@H](CC(=O)N2CCN(C)C(=O)C2)c2ccccc2)cc1 55074237 XNDZKSKIQLANDQ-IBGZPJMESA-N 336.435 2.818 0 50 EFAA CC(C)Oc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)ccn1 225540547 LBFLDFKJHRWCCZ-DLBZAZTESA-N 344.386 2.956 0 50 EFAA COc1cccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 488621 AFDWKRHYGSKPBZ-KRWDZBQOSA-N 335.363 2.844 0 50 EFAA CCc1c(C(=O)N[C@H](C)CCC(=O)O)cnn1-c1ccc(C)cc1 225552854 UMBSHRCDKQDLHL-CYBMUJFWSA-N 329.400 2.726 0 50 EFAA CCn1cccc(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1=O 417261298 PAMYVTOEVRHDBL-XHDPSFHLSA-N 347.440 2.754 0 50 EFAA CCS[C@H](C)c1noc(CN(C)[C@H]2Cc3ccccc3[C@H]2O)n1 245646654 FXGVAUZFGPPWFG-DIOULYMOSA-N 333.457 2.974 0 50 EFAA CC(C)Cc1cn(C2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)nn1 65396946 XLOJSETZAZBVID-OAHLLOKOSA-N 348.491 2.845 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)c1cc(-n2cccn2)ccc1Cl 67677431 FGZFWRDDFIMQFJ-NSHDSACASA-N 344.806 2.628 0 50 EFAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 249690161 JZZXEBZUAMISNL-JQHSSLGASA-N 341.455 2.588 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)COc1ccc(C(F)(F)F)cc1 136480997 AKWAWWYRXCVZJZ-GFCCVEGCSA-N 331.290 2.550 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@@H]1CCCc2sccc21 137400122 IBKZAQUJBAJTTI-LLVKDONJSA-N 336.486 2.775 0 50 EFAA Cc1ccc([C@@H](NC(=O)CCc2cnn(C)c2)c2ccccn2)cc1 279311998 AJMMMQMNFSEPCY-HXUWFJFHSA-N 334.423 2.962 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@H](C)c3cc4ccccc4o3)CCO2)o1 328608684 AYIBCYLBAQFCMS-BZNIZROVSA-N 341.367 2.828 0 50 EFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCn2cccc2[C@@H]1C 32534851 ONNYZGVUHXJIML-WFASDCNBSA-N 339.395 2.526 0 50 EFAA Cc1nc2ccc(CNC(=O)c3ccc(SCCO)cc3)cc2[nH]1 216345828 WWUFBYJBXVFIJV-UHFFFAOYSA-N 341.436 2.886 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cccc2ccnn12 72151659 SKFJIJVPCYTMSW-KRWDZBQOSA-N 331.379 2.702 0 50 EFAA OCc1ccc(CN2CCC(n3cc(Br)cn3)CC2)o1 253417369 QDPKNQNVOBDCRD-UHFFFAOYSA-N 340.221 2.568 0 50 EFAA C[C@@H](C(=O)Nc1ccc(OCC(=O)O)c2ccccc12)n1cccn1 362701090 XRVOEBOOIZHZNZ-LBPRGKRZSA-N 339.351 2.699 0 50 EFAA Cc1nc2c(c(NCCc3nc(C)c(Cl)s3)n1)CCNCC2 72428385 MUQSPLRMXPXHNU-UHFFFAOYSA-N 337.880 2.546 0 50 EFAA CC[C@@](CNC(=O)c1cc(Cl)cn1C)(C(=O)O)c1ccccc1 262930570 GJWXPQHSPPVOND-KRWDZBQOSA-N 334.803 2.841 0 50 EFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CCc1ccc(O)cc1 279836096 RFVBITMLGBLPCI-CQSZACIVSA-N 329.400 2.591 0 50 EFAA O=C(C1=COCCO1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 171006006 FYROGJYGUSXTET-ZDUSSCGKSA-N 344.194 2.782 0 50 EFAA CCc1nccn1CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71738486 VJGBNWUTZMLFST-HNNXBMFYSA-N 333.819 2.699 0 50 EFAA Cc1c(CN2CC[C@H](CNC(=O)c3cnccn3)C2)[nH]c2ccccc12 71278744 XIKOEBJCSKBXKI-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)N2CCOCC2)cc1 72153895 BWAMYJIKJXQJPL-SFHVURJKSA-N 331.460 2.727 0 50 EFAA O=C(c1cc(-c2ccncc2)on1)N1CC[C@](CO)(c2ccccc2)C1 368290948 QBDKNENOTBHYQN-FQEVSTJZSA-N 349.390 2.513 0 50 EFAA CC(C)c1ccc([C@@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1 77753527 IJSCUCPSKVBYMT-OAHLLOKOSA-N 333.476 2.627 0 50 EFAA N[C@H]1CCc2ncc(NC(=O)NC[C@H]3CCCCC3(F)F)cc2C1 333387051 WWWZRRSJZXWMRB-OLZOCXBDSA-N 338.402 2.845 0 50 EFAA COc1ccccc1[C@@H]1CCN(C(=O)Cc2cccc(C(=O)O)c2)C1 262148642 MSOVADPEJZHGQU-MRXNPFEDSA-N 339.391 2.952 0 50 EFAA CN1CCCc2cc(NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)ccc21 158483278 GDUGHLHWJVMBKK-OALUTQOASA-N 337.423 2.849 0 50 EFAA NC(=O)c1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@@H](N)C3)cc2)c1 262648309 KQXCTOMQCJISDX-UONOGXRCSA-N 339.395 2.644 0 50 EFAA Cc1c(NC(=O)NC2CCC(C(=O)O)CC2)cnn1-c1ccccc1 263090614 SMILYBXLHPTCPR-UHFFFAOYSA-N 342.399 2.946 0 50 EFAA Cc1cc(C(=O)N2CCN[C@@H](C)C2)c2cc(Br)ccc2n1 237521526 KMJLXTPNULJBNV-NSHDSACASA-N 348.244 2.740 0 50 EFAA CN(Cc1cccc2cnccc12)S(=O)(=O)NCc1ccccc1 71749548 QDDAUULUFOYRJE-UHFFFAOYSA-N 341.436 2.701 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cn3c(C)cccc3n2)c1 282221286 OXAFWQAZYFYUPX-IEBWSBKVSA-N 337.423 2.959 0 50 EFAA CN1CCc2c(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cccc21 239762555 CMCOVFCBHXGQGD-KBRIMQKVSA-N 327.428 2.758 0 50 EFAA Cc1c(NC(=O)[C@H]2CCCC(=O)N2)cccc1OCC(F)(F)F 340120359 VZOMKODILCNZJQ-LLVKDONJSA-N 330.306 2.543 0 50 EFAA O=C(Cc1ccncc1)N1CCC([C@@H](O)CCc2ccccc2)CC1 222714552 BAYFKCPDMXWOKC-FQEVSTJZSA-N 338.451 2.856 0 50 EFAA C[C@@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)N(C)C1CCCCC1 82108504 LKPBBDUPMKHESN-INIZCTEOSA-N 343.471 2.515 0 50 EFAA COCc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@H]2C)[nH]n1 426589685 AJRHQMYVBLCTIB-LLVKDONJSA-N 332.379 2.524 0 50 EFAA O=C(NCc1nccs1)N1CC[C@@H](COCc2ccccc2)C1 175713469 VDYKNZVPQLWUTB-OAHLLOKOSA-N 331.441 2.891 0 50 EFAA C[C@@H](NC(=O)Cn1ncc2ccccc21)c1nncn1C1CCCC1 222643412 DWQRQHRUNGLHAT-CYBMUJFWSA-N 338.415 2.620 0 50 EFAA CC[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cccc1 426387088 LFWJETLIVPQZNV-OAHLLOKOSA-N 332.835 2.836 0 50 EFAA Cc1nonc1CN1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 91621180 JMRVUPSLANUQNJ-GOSISDBHSA-N 329.400 2.952 0 50 EFAA Cn1cnc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc21 97636619 MUKQTMBRQOFWQC-KRWDZBQOSA-N 338.411 2.733 0 50 EFAA O=C1NCCC[C@]12CCN(Cc1cc(F)cc(C(F)(F)F)c1)C2 91625794 SCSKOIHJECNVIT-OAHLLOKOSA-N 330.325 2.947 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 178964790 DAVFUGZQBZCTIF-AWEZNQCLSA-N 340.398 2.738 0 50 EFAA CN1CCC[C@]2(CCN(CCCCOCc3ccccc3)C2)C1=O 91769811 YBQDFPDGDWXOEI-HXUWFJFHSA-N 330.472 2.928 0 50 EFAA CC1(C)CC(CC(=O)NC[C@H](O)c2ccccc2F)CC(C)(C)N1 97675310 DBPYCFAWMFDWKQ-INIZCTEOSA-N 336.451 2.922 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCc1ccc2c(c1)OCCCO2 95370261 CULBNQKXJSYVSQ-MRXNPFEDSA-N 332.444 2.729 0 50 EFAA Cc1cc(C(=O)NC[C@H](O)c2cccs2)cc2sc(N)nc12 97732719 GXUKCCMAHRQVDD-JTQLQIEISA-N 333.438 2.712 0 50 EFAA CN(Cc1ccc(Cl)nc1)C(=O)[C@H](c1cccnc1)N1CCCC1 95523357 LCCMUZCDFODFDG-KRWDZBQOSA-N 344.846 2.926 0 50 EFAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1cccc5ccccc15)[C@H]42)[C@H]3O 243932117 BTAOAUGNXLFOGI-CXIXTFEFSA-N 335.403 2.935 0 50 EFAA COc1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)ccc1Cl 179540389 IVTNRUVQNAYXFI-CYBMUJFWSA-N 331.803 2.752 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CCC[C@H](O)[C@@H]2C)c2c1CCC2 295981632 ITKHVPHPZCMANM-KSSFIOAISA-N 339.439 2.655 0 50 EFAA C[C@H]1CCC[C@H](C)C1NCC(=O)Nc1ccc(N2CCOCC2)cc1 182946196 IRDGQMQKFKKAGH-HOTGVXAUSA-N 345.487 2.876 0 50 EFAA CN(C)C[C@H]1CCn2ncc(C(=O)NCCC3=CCCCC3)c2C1 299744643 TXRVKWOSVIJBKN-INIZCTEOSA-N 330.476 2.627 0 50 EFAA O=C1[C@@H](NCC2=Cc3ccccc3OC2)CCCN1c1cccnc1 184251785 ATPBIPMCVOAPDC-SFHVURJKSA-N 335.407 2.643 0 50 EFAA O=C(NCCc1nc2c(s1)CCC2)c1ccc(CN2CCCC2)o1 299776658 CEBADBOHMGJFKR-UHFFFAOYSA-N 345.468 2.793 0 50 EFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCCCc1nnc2ccccn12 299789880 AAZYNQRRMUDPBV-LJQANCHMSA-N 332.407 2.882 0 50 EFAA O=C(Cc1ccc(O)c(Cl)c1)NCCCn1nccc1C1CC1 299766291 IEPMZPIVKRGJNX-UHFFFAOYSA-N 333.819 2.869 0 50 EFAA CC[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1ncc(C)[nH]1 584893846 ZXIISMLTEFUBBI-SNVBAGLBSA-N 328.401 2.513 0 50 EFAA O=C(CN1CCCC1)NC[C@H](c1ccccc1)N1CCCCCC1 670456659 ODFKOJPLOJMHMB-LJQANCHMSA-N 329.488 2.816 0 50 EFAA O=C1C[C@@H](NC(=O)C2(N3CCCC3)CCCCC2)c2ccccc2N1 952870160 WBTQRXPGPYTTAI-QGZVFWFLSA-N 341.455 2.985 0 50 EFAA Cc1ccc(-n2nnnc2S[C@H](C)c2nc(C)cc(O)n2)cc1 268366277 UHVZRBBOVHOKJT-LLVKDONJSA-N 328.401 2.628 0 50 EFAA CN1CCC2(CC1)CCN(C(=O)CC1CC(C)(C)NC(C)(C)C1)C2 952983800 QRNCOVYAXFBNNS-UHFFFAOYSA-N 335.536 2.878 0 50 EFAA CC(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC12CCCCC2 271269932 MVKQITAVOFEXDY-UHFFFAOYSA-N 326.444 2.930 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2ccc(Cl)s2)CCO1 276296964 NSTCFZMFVYVMRL-KOLCDFICSA-N 325.821 2.785 0 50 EFAA CC(=O)c1csc(C(=O)Nc2cn(Cc3ccccc3)nn2)c1 170087551 OHBMNASXHKXXDH-UHFFFAOYSA-N 326.381 2.843 0 50 EFAA CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(C(C)(C)C)n[nH]1 170594446 JRCPPQBXRDMRHR-BQYQJAHWSA-N 336.436 2.518 0 50 EFAA Cc1ccc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(N)=O 170592734 LUBPQFVZHVDQJP-GFCCVEGCSA-N 332.425 2.671 0 50 EFAA O=S(=O)(c1ccccc1)N(CC[C@H]1CCCO1)c1nccs1 170604824 BPDVMHHTBKQXBB-CYBMUJFWSA-N 338.454 2.908 0 50 EFAA CC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(C3CC3)cc2)C1 191593928 NKLMAJYFBCMDQA-MRXNPFEDSA-N 329.444 2.622 0 50 EFAA Cc1nn(Cc2ccc3c(c2)OCCO3)c(C)c1[C@@H]1CCCC(=O)N1 664095530 GXPUWCXLYFHFAP-HNNXBMFYSA-N 341.411 2.661 0 50 EFAA CC(C)n1ccnc1CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 645993262 NGXXBILMICMFMQ-SFHVURJKSA-N 338.455 2.670 0 50 EFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 193067850 QUXFLGAIKCZALB-INIZCTEOSA-N 335.411 2.626 0 50 EFAA C[C@@H](CC(=O)Nc1nc(-c2ccc[nH]2)cs1)N1CCCCC1=O 193204856 SBAUDDVKFNDWOR-NSHDSACASA-N 332.429 2.868 0 50 EFAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCc2ccc(Cl)cc21 194983636 GEHMUGIVEGCDQN-UHFFFAOYSA-N 327.771 2.572 0 50 EFAA CC(C)CCc1cc(NC(=O)c2ccnc(N3CCCC3)n2)n[nH]1 682614159 RAVWRFWOWIPZAO-UHFFFAOYSA-N 328.420 2.641 0 50 EFAA C[C@@H](c1ccc(Br)cc1)N1CCN([C@H](C)C(=O)O)CC1 86753212 YPNKVAVPQDVVRU-NWDGAFQWSA-N 341.249 2.601 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)o1 1506418290 WCPADRMZZYFSKJ-MRXNPFEDSA-N 333.409 2.596 0 50 EFAA COc1cccc(CNc2nn[nH]n2)c1OCc1ccccc1F 5019139 SACBEMXNCPSFIV-UHFFFAOYSA-N 329.335 2.539 0 50 EFAA COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(Cl)cc1)CC2=O 12391124 IHACQXGUDCEYSJ-JTQLQIEISA-N 331.755 2.728 0 50 EFAA COc1ccccc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O 12462079 OGHLGFGHEMIDBH-LFIBNONCSA-N 349.415 2.683 0 50 EFAA COC(=O)CCCC(=O)N1CCC(CO)(CCc2ccccc2)CC1 12725763 HNRQAAIVYCPYJK-UHFFFAOYSA-N 347.455 2.564 0 50 EFAA COCCc1noc(-c2ccc(N(C)[C@H](C)c3nccs3)nc2)n1 15066420 REXMKEUXUKMQIU-LLVKDONJSA-N 345.428 2.974 0 50 EFAA 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Nc1ccnc(CN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)n1 135159098 FSIHJWQOILTBAM-ROUUACIJSA-N 337.471 2.545 0 50 EFAA O=C(Cc1ccn(CC(F)(F)F)n1)N[C@@H]1CCOC2(CCCC2)C1 896817054 OCWVNFRHZRHLEW-CYBMUJFWSA-N 345.365 2.596 0 50 EFAA Cn1c(C(=O)N2CC[C@](CF)(C(=O)O)C2)c(Cl)c2ccccc21 1775990553 BZCNYYRQTFZKNW-MRXNPFEDSA-N 338.766 2.718 0 50 EFAA COc1cc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)ccc1Cl 1775959432 WKFRTVLXNOJBSX-PWSUYJOCSA-N 340.807 2.601 0 50 EFAA Brc1c(OCCN2CCNCC2)ccc2ccccc12 20272835 FZHBFUMZTIAJNC-UHFFFAOYSA-N 335.245 2.886 0 50 EFAA COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 94969 YAPCOGFGCGKJRD-NSHDSACASA-N 327.336 2.907 0 50 EFAA COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 84000 WDZPHHFEMQTEIL-AWEZNQCLSA-N 342.370 2.504 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)no1 2356138295 IPEXNCUSJSFSIC-SFHVURJKSA-N 333.432 2.804 0 50 EFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)CCc2ccccc2)CC[C@H]1O 2356149140 LWUAGNPVBBUNMC-YLJYHZDGSA-N 347.455 2.720 0 50 EFAA 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CCN(C[C@@H]1CCN(C)C1)C(=O)c1c[nH]nc1-c1ccccc1F 67724663 PIWFYPAVHFSUOJ-CYBMUJFWSA-N 330.407 2.630 0 50 EFAA OCCN1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67974563 CMZCBRFTEDKQMD-UHFFFAOYSA-N 333.435 2.940 0 50 EFAA CCCCc1nc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)c[nH]1 22913919 VBXQRPPKBJFTBL-SFHVURJKSA-N 334.508 2.587 0 50 EFAA C[C@H](O)CCNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67784855 KUSREIYSHYRHCM-ZDUSSCGKSA-N 344.411 2.633 0 50 EFAA C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 229295978 VDFSHLIZOJBYBY-ZYHUDNBSSA-N 347.444 2.610 0 50 EFAA O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@@H](n2cncn2)C1 229436964 IBAJLSDKHJZSFL-JHJVBQTASA-N 330.354 2.810 0 50 EFAA Nc1ncc(Br)c(Cl)c1I 39961320 VUZRKELWKYLVBZ-UHFFFAOYSA-N 333.354 2.684 0 50 EFAA CCCN(Cc1ccccc1F)C(=O)c1cnc2ccccn2c1=O 67854912 KWPGCSVBDDUJFX-UHFFFAOYSA-N 339.370 2.886 0 50 EFAA CC[C@@H](c1ccccc1)N1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 229914755 ODAGXJOTLXWPDI-MSOLQXFVSA-N 342.443 2.952 0 50 EFAA CC1=NN(C(=O)COc2ccc(Cl)cc2C)[C@@](O)(C(F)F)C1 204602 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0 50 EFAA COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCC=C(F)C2)c1 241588366 PCLOFFZIKFQIDV-KRWDZBQOSA-N 348.418 2.926 0 50 EFAA O[C@@H](CN1CC[C@@H](c2nc(C3CC3)no2)C1)c1c(F)cccc1F 375474550 ZVNYYTXBTLJUJV-RISCZKNCSA-N 335.354 2.748 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2n[nH]c3ccccc23)c1 282361716 FSKTZSISMYJZFF-CXAGYDPISA-N 337.379 2.520 0 50 EFAA CCn1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)O)cn1 263039880 NHBNCZUKIAOFBL-PBHICJAKSA-N 341.411 2.596 0 50 EFAA CCc1cnc(CCNC(=O)[C@H](C)N2CCc3ccccc32)s1 173034917 SSTAZPACHIEXPX-ZDUSSCGKSA-N 329.469 2.815 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(N)=O 284750928 FIURQOZPOOMXBP-RDDDGLTNSA-N 334.725 2.552 0 50 EFAA O=C(NCc1noc([C@H]2CCCO2)n1)c1cnoc1-c1ccccc1 426689942 SUTPEMUVMFXEGS-CYBMUJFWSA-N 340.339 2.506 0 50 EFAA Cc1ccc(SCCN(C)c2cc(C3CC(N)C3)nc(N)n2)cc1 223232455 YQVYGIWYBYAEQO-UHFFFAOYSA-N 343.500 2.800 0 50 EFAA COc1ccc(CNC2CCN(c3ccccc3)CC2)c(OC)n1 290113490 IUBLZQUXJUDPOY-UHFFFAOYSA-N 327.428 2.857 0 50 EFAA Cc1nc(CCNc2nccc(-c3cccnc3)n2)nc2c1CCC2 96140716 VORCLCCLIQCDPX-UHFFFAOYSA-N 332.411 2.780 0 50 EFAA CC[C@H](NC(=O)CCCN1CCCCC1)c1cn2cccnc2n1 95359677 KBOHIQOACNVRTA-HNNXBMFYSA-N 329.448 2.563 0 50 EFAA Cc1nn(CCCNC(=O)[C@@H]2CCCCCN2C)c(C)c1Cl 95370915 BQQWIPPFHJKPJO-AWEZNQCLSA-N 326.872 2.534 0 50 EFAA O=C1CCCCN1CC(=O)N(Cc1ccccc1)CC(F)(F)F 95506869 ZLNQYNLIPRDFMP-UHFFFAOYSA-N 328.334 2.590 0 50 EFAA CCn1nccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91505792 NDMAPYLSLUMWHA-ZWKOTPCHSA-N 338.455 2.640 0 50 EFAA CN(C)CC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)c1ccccc1 97619181 HIWHMAYGSKBQKD-QGZVFWFLSA-N 349.438 2.895 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1ccc2nccn2c1 91691476 KTSNXKPGTOHDCK-UHFFFAOYSA-N 325.372 2.695 0 50 EFAA COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCOCC(F)(F)C1 292316948 IHTYCBADQRPMAZ-SNVBAGLBSA-N 332.322 2.572 0 50 EFAA Cc1noc([C@H]2CN(C[C@H](OC(C)C)c3ccccc3)CCN2C)n1 292840986 NFRBDOWMHBXOOC-MSOLQXFVSA-N 344.459 2.833 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95512958 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338.238 2.819 0 50 EFAA Cc1ncsc1CN(C)S(=O)(=O)c1cccc(Cl)c1O 631929221 ZJPITYDFFAGAFD-UHFFFAOYSA-N 332.834 2.631 0 50 EFAA O=C(NCCCc1nc2ccccc2s1)[C@@H]1CC2CCN1CC2 1775982127 QPQNFNMYUALIEJ-HNNXBMFYSA-N 329.469 2.829 0 50 EFAA OCCn1cnc2cc(-n3ccnc3-c3ccncc3Cl)ccc21 1775979311 SVHHADHJYOWEQJ-UHFFFAOYSA-N 339.786 2.930 0 50 EFAA O=C(COCc1cc(-c2ccco2)on1)Nc1ccc2c(c1)OCO2 15679224 KMZBLLFONOFZBC-UHFFFAOYSA-N 342.307 2.819 0 50 EFAA O=C1NCCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1Cc1ccccc1 19720809 QWPJKRFEBLDMMY-MRXNPFEDSA-N 346.789 2.662 0 50 EFAA COc1cccc2c1OC[C@H](NCc1cc(=O)c3ccccc3[nH]1)C2 19743981 KTJONPDSIHPCEY-OAHLLOKOSA-N 336.391 2.630 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@]1(C)CC12CCNCC2 1857686973 LITYYENSHVRWHM-QGZVFWFLSA-N 333.501 2.760 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)CCCc3ccc(F)cc3)CCN12 1857737004 ZJZGJHMEEFHXJV-RBUKOAKNSA-N 348.462 2.860 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2occc2Br)n[nH]1 407980724 NTXBIXMWPSOBGZ-SNVBAGLBSA-N 339.193 2.836 0 50 EFAA C[C@]1(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)CCCN1Cc1ccccc1 225411550 DIYSTTZUZVZMFR-QWFCFKBJSA-N 345.487 2.501 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccccc2Oc2cccnc2)C1 237062106 GZQIKFVUXDAIMC-OAHLLOKOSA-N 325.412 2.946 0 50 EFAA CCCc1occc1C(=O)NCc1nc(CN2CCCCC2)no1 647674519 YKHSGTYDOASOAX-UHFFFAOYSA-N 332.404 2.531 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N2CCC[C@](C)(O)CC2)c(C)n1 655041112 ZWJLEHHVIFRNNU-YJYMSZOUSA-N 333.476 2.913 0 50 EFAA C[C@@]1(O)CCCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 248751902 SUISVXVYBSBQPX-GOEBONIOSA-N 342.361 2.658 0 50 EFAA CC1=NN(c2ccc(C(=O)N3CC[C@H](c4nccn4C)C3)cc2)CC1 374333663 VSIALDXXAVSVCY-INIZCTEOSA-N 337.427 2.636 0 50 EFAA NC(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 267316932 OUUIHUHBCWLXRK-UHFFFAOYSA-N 347.434 2.687 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@H]1C[C@H]1CCOC1 903944305 KAMUFXMAMNFIJW-CHWSQXEVSA-N 339.819 2.666 0 50 EFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)Nc3cnn(C4CCC4)c3)C2)n1 934328356 SSEQCFWWHPIGNP-MRXNPFEDSA-N 343.435 2.685 0 50 EFAA 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O=C(Cc1ccccc1)Oc1ccc(C(=S)N2CCOCC2)cc1 193148 BJOZTNZTXNZPFI-UHFFFAOYSA-N 341.432 2.842 0 50 EFAA Cc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)COC2=O 208981 IHZICWGYVYWFIF-UHFFFAOYSA-N 326.377 2.792 0 50 EFAA Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1C 416702 VPXRTKHKGIVQAP-UHFFFAOYSA-N 339.424 2.524 0 50 EFAA COC(=O)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1 2196523 UTHFCVQFVCGSQS-UHFFFAOYSA-N 337.379 2.548 0 50 EFAA CCC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 4740620 LXWOTLQCEJIQOA-UHFFFAOYSA-N 326.352 2.694 0 50 EFAA CS[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](Cc3nccn3C)C2)C1 225282634 VNBXTGXUNHMHJQ-QLFBSQMISA-N 336.505 2.668 0 50 EFAA CCC1(CC)CN(c2ccccc2S(=O)(=O)CC)CC[S@@]1=O 225523339 NOCFYCCWBOBBEP-NRFANRHFSA-N 343.514 2.608 0 50 EFAA CCN(Cc1ccc(C(=O)Nc2nncs2)cc1)C[C@@H]1CCCO1 65396097 NNQBOEVIQBWVFO-HNNXBMFYSA-N 346.456 2.791 0 50 EFAA c1ccc(Oc2cccc(OCCNCCN3CCOCC3)c2)cc1 20482175 LCEXWECCMVFMCN-UHFFFAOYSA-N 342.439 2.780 0 50 EFAA C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1364298054 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c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc24)C3)nc1 95371108 PHOXWYKLNNDCHY-MAUKXSAKSA-N 349.438 2.714 0 50 EFAA CC1=C(c2ccccc2)[C@H]1c1nc(-c2ccncc2)nn1CC(=O)O 97729489 ZQJKFQMHHJWIII-KRWDZBQOSA-N 332.363 2.996 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 238085340 ZJCAYTDRFNZCAN-LBPRGKRZSA-N 348.786 2.861 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 91950921 VNTVGWMIZXRYCA-GOSISDBHSA-N 336.395 2.931 0 50 EFAA O=C(C1CC1)N1CCC(c2nc(-c3cn4ccccc4n3)no2)CC1 96163429 ZVIRHYSKLWVTEA-UHFFFAOYSA-N 337.383 2.500 0 50 EFAA O=C(c1ccncc1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91270543 AFMOYBYLULPGIK-HXUWFJFHSA-N 341.455 2.869 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 91365187 NTRMEDNYACUBLZ-GOSISDBHSA-N 343.515 2.842 0 50 EFAA CCn1c(C)cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1C 243919576 BPDYKCJYCIMQST-MPGHIAIKSA-N 327.428 2.762 0 50 EFAA COc1cccc(CC(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1 252536009 HKZINAYDFWPRDK-QWFCFKBJSA-N 339.435 2.736 0 50 EFAA 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2.508 0 50 EFAA CNC[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 237169990 TUTRYMTVDDSOBE-LBPRGKRZSA-N 328.815 2.706 0 50 EFAA COc1ncc(Cl)c(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 225518476 YBNLJSFSIYCNMA-NOZJJQNGSA-N 341.745 2.729 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cccc4c(C)c(C)[nH]c34)CCO2)o1 328610408 HSCOELBRJJLVMA-OAHLLOKOSA-N 340.383 2.690 0 50 EFAA C[C@H]1COCC[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 444256668 ASVJHTAYUHTMJB-RDJZCZTQSA-N 339.439 2.556 0 50 EFAA O=C(O)CN(C(=O)c1cccc(Cl)c1Cl)C1CCOCC1 238109552 AWLXJUBDZHMYQI-UHFFFAOYSA-N 332.183 2.699 0 50 EFAA O=C(NCCn1ccnc1)Nc1ccnc(OCc2ccccc2)c1 337581158 OBGFRFHXXLXYLK-UHFFFAOYSA-N 337.383 2.679 0 50 EFAA CCc1ccc([C@@H](CO)NC(=O)c2ncccc2Br)cc1 252492726 MUKUMIOFQZKRNJ-CQSZACIVSA-N 349.228 2.870 0 50 EFAA Cc1noc(C(C)(C)NC(=O)Nc2cccc(C(F)(F)F)n2)n1 253418351 LRRFRKOHCNAREX-UHFFFAOYSA-N 329.282 2.849 0 50 EFAA CN[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1 151036592 KXUXNAAJDIZXJH-LBPRGKRZSA-N 332.835 2.565 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 370736815 HCMJTCNELYVOLL-INIZCTEOSA-N 326.400 2.959 0 50 EFAA COC[C@@H]1CCCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 375124767 LJDUUADTPUERGZ-OAHLLOKOSA-N 330.428 2.702 0 50 EFAA O=C(O)c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1 263580756 WHBIFKJHQWHFDY-UHFFFAOYSA-N 328.387 2.842 0 50 EFAA C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1c(F)cccc1F 162014028 YDEPCGXGRYYXFT-LBPRGKRZSA-N 348.349 2.646 0 50 EFAA CC1=CC2(CCN(C(=O)c3cc4c(nc3O)CCC4)CC2)OCC1 1704313380 MELSSGRXYLXBPT-UHFFFAOYSA-N 328.412 2.617 0 50 EFAA CCCc1ccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)cc1 910618632 RGSPYFBDGONWHO-KOHRHEQBSA-N 331.412 2.781 0 50 EFAA O[C@H](CN[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)cn1 819138457 SMXOSLXIZVTXHO-WMLDXEAASA-N 335.810 2.776 0 50 EFAA O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc2ncnc(O)c12 952884241 WIAGWLRLELNZGU-IUODEOHRSA-N 339.395 2.699 0 50 EFAA CCO[C@H]1C[C@H](N(C)Cc2cn(C)nc2C(=O)O)C12CCCCC2 1875269443 LNNKKSJMPPAALL-GJZGRUSLSA-N 335.448 2.678 0 50 EFAA COc1nn(C)cc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 1875272507 PFXBLVOKKMNDSN-OAHLLOKOSA-N 328.416 2.752 0 50 EFAA O=C(O)[C@@H]1CS[C@H](c2ccncc2)N1Cc1ccc2c(c1)CCO2 1875283175 IKTFIAIHVLFPGI-DOTOQJQBSA-N 342.420 2.717 0 50 EFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](CC(=O)O)c3ccccc32)cn1 1875291729 JVSMIPFZKPKGLJ-VBNZEHGJSA-N 339.395 2.519 0 50 EFAA C=CC(=O)N1CCCc2cc(C(=O)N3C[C@@H]4C[C@]4(C(F)F)C3)ccc21 1875302757 GBCJNMPBPGJDDJ-LIRRHRJNSA-N 346.377 2.879 0 50 EFAA Cc1cnc(C(=O)NCCCCCn2cc(C3CC3)nn2)c(C)c1 1875323212 BNYLWJMEAFXSOA-UHFFFAOYSA-N 327.432 2.768 0 50 EFAA Cc1ccc(-n2ccc(CN3CCNC[C@@H]3c3ccncc3)n2)cc1 1875323290 DFPFQDRCEWUCLP-HXUWFJFHSA-N 333.439 2.722 0 50 EFAA Cc1cc(C=O)c(O)c(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1 1875367306 SZXUROZHZWRMJP-ZDUSSCGKSA-N 327.384 2.564 0 50 EFAA CCc1ncnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c1F 1775959071 FVIOKUNGELPYML-PWSUYJOCSA-N 332.383 2.506 0 50 EFAA Cn1cnc2nc(N3CCC(c4nc5ccccc5o4)CC3)ncc21 2100542834 IAUMHMYCTHGLBA-UHFFFAOYSA-N 334.383 2.889 0 50 EFAA Cc1cccc2nc(CCC(=O)N3CCOC[C@@H](C(C)C)C3)[nH]c12 2325784224 KQUGUSXUKXRADL-HNNXBMFYSA-N 329.444 2.935 0 50 EFAA O=C(O)[C@H]1C[C@](O)(C2CCN(Cc3cc(Cl)cs3)CC2)C1 2325787226 KRMGSCXSCHGMCX-AVCCJPFPSA-N 329.849 2.839 0 50 EFAA CC1(C)CN(c2ncnc3[nH]c4ccccc4c23)C[C@@H](CC(=O)O)O1 2325790519 RSIOYFDJMJLVBY-LLVKDONJSA-N 340.383 2.570 0 50 EFAA Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 75735 ORUWSBQDTXQOHD-UHFFFAOYSA-N 334.348 2.870 0 50 EFAA Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Cl 268742 YJRUHUBRHILKPQ-UHFFFAOYSA-N 327.775 2.941 0 50 EFAA Cc1cc(C)c(C)c(OCC(=O)N2CCN(c3ccccn3)CC2)c1 469629 QBNAZALJHQGLOM-UHFFFAOYSA-N 339.439 2.734 0 50 EFAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 528492 HTMNVKOIWOOUCP-HXUWFJFHSA-N 339.391 2.911 0 50 EFAA O=C1O[C@@H](c2nn3c(-c4ccco4)nnc3s2)Cc2ccccc21 620641 VZHVCLSTLNOTOB-GFCCVEGCSA-N 338.348 2.900 0 50 EFAA COc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 2994288 OVXLSKZXKXPYLD-UHFFFAOYSA-N 326.396 2.875 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(C2CCCCC2)C1 4731613 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O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc[nH]2)C1 220527996 DOEPUPTVJYRKBY-GFCCVEGCSA-N 338.333 2.772 0 50 EFAA Cc1csc([C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCCC3)n1 426533948 YQRJRLFXCFTLQN-NSHDSACASA-N 333.461 2.956 0 50 EFAA CCn1cc(CN(C)C(=O)c2cccc(-c3ccc(N)nc3)c2)c(C)n1 426668993 KDXDZXBIKCJLJW-UHFFFAOYSA-N 349.438 3.128 0 50 EFAA Cc1nc(NC(=O)N(C)Cc2cnc(-c3ccccc3)s2)nn1C 48235857 ABISVWLCPGIVRB-UHFFFAOYSA-N 342.428 2.911 0 50 EFAA CC(C)OCCNC(=O)N1CCC([C@H](O)c2cccs2)CC1 426734518 PMGLXVUSQJOHCV-HNNXBMFYSA-N 326.462 2.628 0 50 EFAA CCCC[C@@H]1C=CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1 426425137 CWFKCIYUDGLLJI-GOSISDBHSA-N 341.455 2.891 0 50 EFAA CN1CCCC[C@H]1CCC(=O)N(CCO)Cc1ccccc1Cl 95387477 VPYNBKZGVJGEOC-INIZCTEOSA-N 338.879 2.925 0 50 EFAA CCc1c(C)nc(N)nc1NCc1nc(C)cc(C(F)(F)F)n1 91965303 BRXOTTVJJWXLSD-UHFFFAOYSA-N 326.326 2.659 0 50 EFAA Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 177931669 XYNZTSKVEKIRBX-WMZOPIPTSA-N 341.411 2.736 0 50 EFAA Cc1cnc([C@H](C)NC(=O)Nc2cccc3c2OCC(=O)N3)s1 290240237 SOKFTZFDYWKZPF-VIFPVBQESA-N 332.385 2.665 0 50 EFAA Cc1cc2cc(C(=O)N3CCC(N4CCOC4=O)CC3)ccc2o1 91325978 NVVWAGHXTIBOAA-UHFFFAOYSA-N 328.368 2.798 0 50 EFAA O=c1cc(CNCc2noc(-c3ccco3)n2)[nH]c2c(F)cccc12 91526122 ZLUICNFATIFISP-UHFFFAOYSA-N 340.314 2.600 0 50 EFAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cnc(N)nc2)c1 426584061 RJSUHYKKWOEEKS-KRWDZBQOSA-N 340.427 2.757 0 50 EFAA CCOC(=O)Cc1ccc(NC(=O)N[C@H](C)Cc2cccnc2)cc1 95517552 ZJNCWZJRDMKYQW-CQSZACIVSA-N 341.411 2.940 0 50 EFAA Cc1nc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(C)s1 178578270 DNRPRSRYHTYEAX-UHFFFAOYSA-N 337.489 2.525 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CCN[C@H](c2ccccc2)C1 97499496 LLMTZERBZHABLO-FQEVSTJZSA-N 346.434 2.718 0 50 EFAA O=C(Cc1ccc(O)c(F)c1)N1CC[C@@H](Cc2cccc(CO)c2)C1 91417016 JHGUNXCLXYPCTO-INIZCTEOSA-N 343.398 2.657 0 50 EFAA CN(C)[C@@H](C(=O)NCCCc1ccc(O)cc1)c1cccc(F)c1 91848845 AUWZVKWZNXKDSU-GOSISDBHSA-N 330.403 2.883 0 50 EFAA Cc1nn(CCNC(=O)CC[C@H]2CCCCN2C)c(C)c1Cl 95381893 RPNKOWYZONMWBY-CQSZACIVSA-N 326.872 2.534 0 50 EFAA Cc1c(CNC(=O)Nc2cccc(Cl)c2-n2cccn2)cnn1C 179346757 HZJWVTYZGIAJHC-UHFFFAOYSA-N 344.806 2.889 0 50 EFAA CC1(C)C[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)no2)CCO1 244742137 OCKFHKDKSAGQJI-GFCCVEGCSA-N 333.363 2.697 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc2ccccc2o1 244716308 LMTUAZPCRRVPGK-ULQDDVLXSA-N 336.391 2.940 0 50 EFAA Cc1cccc(S(=O)(=O)NC[C@@]2(C)CCCC[C@H]2O)c1Cl 180382608 AASRDXRPXMDBDD-UKRRQHHQSA-N 331.865 2.868 0 50 EFAA CC1(C)CN(C(=O)C(=O)Nc2cccc(F)c2F)[C@H]1c1ccncc1 295097913 XAXQWKRKBKPUFK-HNNXBMFYSA-N 345.349 2.908 0 50 EFAA O=C1CCC2(CCN(Cc3cc(O)c4cccc(Cl)c4n3)CC2)N1 253537262 IAQHPRZJUBDEOA-UHFFFAOYSA-N 345.830 2.838 0 50 EFAA COc1ccc([C@@H](Nc2nccnc2N(C)C)[C@H]2C[C@@H](O)C2)cc1F 252538459 NBPHPROYDXSQCA-DVOMOZLQSA-N 346.406 2.614 0 50 EFAA CNc1ncc(CN(C)C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)cn1 299778557 PSPXWXLGGATINS-LBPRGKRZSA-N 343.435 2.658 0 50 EFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(SC)cc1)C2 299801403 YCFOEDZXMNNIRZ-UHFFFAOYSA-N 344.484 2.647 0 50 EFAA COCCc1noc([C@H](C)NC(=O)C(C)(C)Oc2ccc(C)cc2)n1 299789131 WGWAVEUCCMANRJ-ZDUSSCGKSA-N 347.415 2.602 0 50 EFAA CCCNC(=O)c1ccc(C)c(NC(=O)NCc2cncn2CC)c1 299767365 GIHFDCUFSGKENG-UHFFFAOYSA-N 343.431 2.673 0 50 EFAA Cc1cncnc1C1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 299794804 KNVPFCNZPSOWGJ-QGZVFWFLSA-N 345.830 2.878 0 50 EFAA CCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ncccn2)c1 299766070 BOUGHDOHXVZMJA-CYBMUJFWSA-N 336.399 2.636 0 50 EFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(CCCc1ccccc1)CC2 299781510 TVSARSAQDHAXJH-WSTZPKSXSA-N 347.455 2.732 0 50 EFAA C[C@H](NC(=O)NCCSc1cnn[nH]1)c1ccc(Cl)cc1 828038037 QNBXLRDWCSWUFU-VIFPVBQESA-N 325.825 2.611 0 50 EFAA Cc1cccc(N2CCN(Cc3nc(C)nn3-c3ccncc3)CC2)c1 670439514 LZZYOISBUUIWSG-UHFFFAOYSA-N 348.454 2.601 0 50 EFAA CC(=O)N[C@H](C)CC(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C 952970680 BHXLRCHBKOSSIV-CYBMUJFWSA-N 345.443 2.977 0 50 EFAA CC[C@H](CNC(=O)c1ccnc2[nH]cnc12)NC/C=C/c1ccccc1 1481817682 OOJDTKKDXYIHMH-YXMGTMDOSA-N 349.438 2.769 0 50 EFAA OC[C@@]12CCCN[C@H]1CCN(Cc1cccc(-c3ccccn3)c1)C2 1565514132 PITPRVWNNRPKOT-SFTDATJTSA-N 337.467 2.685 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 269308476 ZURHWORVMIRQBL-YPMHNXCESA-N 330.350 2.714 0 50 EFAA Cc1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)nnn1C 408521426 TZYUHNKJVIPTTJ-UHFFFAOYSA-N 331.376 2.723 0 50 EFAA CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C 390832826 QHEIAKHFZKQIOV-HIFRSBDPSA-N 340.464 2.898 0 50 EFAA CCCCN1CCC(NC(=O)[C@H](O)Cc2ccccc2Cl)CC1 170598968 KWOJANKTZBXVLB-QGZVFWFLSA-N 338.879 2.624 0 50 EFAA COc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)sn1 399144042 CYBXJDVYTUGPSD-MRXNPFEDSA-N 341.477 2.935 0 50 EFAA O=C(NCCOCC(F)F)N[C@H]1CCOc2c(Cl)cccc21 170606365 SIXYWJIKYMHGPN-NSHDSACASA-N 334.750 2.745 0 50 EFAA COC(=O)C[C@@](C)(NC(=O)c1cnc(C(C)C)s1)c1ccncc1 170600778 OXLFZZMTGYIHMK-QGZVFWFLSA-N 347.440 2.870 0 50 EFAA COc1cc(OC)cc(N2CC[C@@H](Sc3nc(C)co3)C2=O)c1 188429478 JEIAQHJGIAVYJH-CQSZACIVSA-N 334.397 2.898 0 50 EFAA O[C@H](COc1ccccc1Cl)CN1CCC[C@H]1c1ncccn1 639838325 DYBQGAXVLDDYSJ-ZFWWWQNUSA-N 333.819 2.707 0 50 EFAA COc1cccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1F 192961207 YMRMUWLBQCUUHS-RHSMWYFYSA-N 333.407 2.513 0 50 EFAA CCCOc1cccc2c(NCC3(C(N)=O)CCOCC3)ccnc12 194716630 BCUWWSILOOGFHC-UHFFFAOYSA-N 343.427 2.718 0 50 EFAA CC(C)(c1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)cc1)C(F)(F)F 665660490 WPKGCAGBBSOMBF-ZDUSSCGKSA-N 342.361 2.925 0 50 EFAA CC(C)Sc1nnc(NC(=O)c2ccccc2-n2cnnc2)s1 1506415812 ANRMMIPAZHNPLU-UHFFFAOYSA-N 346.441 2.872 0 50 EFAA COC(=O)C1CCN(Cc2nc(C(F)(F)F)n3c2CCCC3)CC1 1364925168 XIIKMGHTQYYRCQ-UHFFFAOYSA-N 345.365 2.623 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cccc(-n3cnnc3)c1)C2 1704315725 ULXGIKLPMJCLJT-IEBWSBKVSA-N 340.427 2.689 0 50 EFAA CCc1ocnc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1 12053119 BCVQMNWVXGOESP-IBGZPJMESA-N 347.459 2.738 0 50 EFAA CCCn1ncc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1C 12437673 WGEIIALIAHVFKN-SFHVURJKSA-N 332.492 2.872 0 50 EFAA COc1ccc(CCN2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1OC 13153200 LLCKREMNAANBEE-HOTGVXAUSA-N 343.423 2.978 0 50 EFAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccccn1 15068035 VSJOHDZZBZUSHF-HOCLYGCPSA-N 343.814 2.733 0 50 EFAA COc1ccccc1-n1cc(C(=O)N[C@H]2CCCCCC[C@@H]2O)cn1 1857693265 OYXVLFNNSWWRTG-RDJZCZTQSA-N 343.427 2.694 0 50 EFAA CCOC(=O)CCCN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857741332 NUEQPZGJGJKQHN-UHFFFAOYSA-N 341.455 2.831 0 50 EFAA Cc1ccc(C)c(OCCC(=O)N(CCC(=O)O)C2CCOCC2)c1 408513297 MVJWMVUQILLMTR-UHFFFAOYSA-N 349.427 2.555 0 50 EFAA O=C(c1ccc2cncn2c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 225811566 ROXQFFDPKOHWOZ-RHSMWYFYSA-N 343.333 2.561 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@H]2COc3cccc(Cl)c32)nn1C 421550374 GEBUOVQOBILLPE-VIFPVBQESA-N 326.183 2.899 0 50 EFAA F[C@H]1C[C@@H](CN[C@H]2CCC[C@@H](C3CC3)C2)N(Cc2cncnc2)C1 328642136 QVZTYKUHNUUZBL-XWSJACJDSA-N 332.467 2.947 0 50 EFAA O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN(c2cccc(O)c2)CC1 332545894 MUIYNFXSGLJENY-CYBMUJFWSA-N 339.386 2.802 0 50 EFAA O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)[C@@H]1CC=CCC1 11909271 RTMPHTGKRMGRPH-PBHICJAKSA-N 335.407 2.920 0 50 EFAA CN(C)C(=O)N[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 451999027 SVYSEBZLGZFEJH-HNNXBMFYSA-N 346.406 2.716 0 50 EFAA NC(=O)c1n[nH]c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc12 682926645 FZDKZCNGUVOOSA-UHFFFAOYSA-N 346.390 2.722 0 50 EFAA Fc1cccc(Cn2cnc(CN[C@H]3CCOC34CCCC4)n2)c1 903152764 HZTOWALRCMPEAQ-INIZCTEOSA-N 330.407 2.657 0 50 EFAA CCC[C@]1(C(=O)O)CCN(c2cccc(C(F)(F)F)n2)C[C@@H]1O 1704298560 JFCGJCAIYDUGSU-FZMZJTMJSA-N 332.322 2.543 0 50 EFAA C[C@]1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC=CCC1 822487818 DHQLDHMMYGVQFF-HNNXBMFYSA-N 343.349 2.590 0 50 EFAA Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@H](O)CC(C)(C)C1 827734388 BQZMCDAODMKOPF-QGZVFWFLSA-N 341.455 2.781 0 50 EFAA Cc1nn(C)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1Cl 931801746 GJIUUIYFCMRTHV-OCCSQVGLSA-N 334.807 2.552 0 50 EFAA C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1)n1cnc2ccccc21 852955823 CENLTEXTZCWBEC-CJNGLKHVSA-N 349.390 2.808 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)o1 952848593 JMMDQVGPQUCMAW-KGLIPLIRSA-N 343.431 2.799 0 50 EFAA COCc1nc([C@H]2CN(C(=O)c3cccc(C)c3)C[C@@H]2C2CC2)n[nH]1 952887408 DRBMIIWVYFJLOB-CVEARBPZSA-N 340.427 2.525 0 50 EFAA COC(=O)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)n2c1CCCC2 1875292954 XRRSZKJTMJGNFX-UHFFFAOYSA-N 342.351 2.562 0 50 EFAA COc1cccc2c(=NCCc3nnc(C(C)C)s3)[nH]cnc12 1875273488 BNNCGIJPGPIUEU-UHFFFAOYSA-N 329.429 2.690 0 50 EFAA Cc1sc(C(=O)O)cc1C(=O)NC[C@H]1CCCc2cccnc21 1875286085 FMNXBUVKKJQGRQ-GFCCVEGCSA-N 330.409 3.000 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCC(O)(c3cc[nH]n3)CC2)c(C)c1 1875277023 XJDUDJRLZKZVSZ-UHFFFAOYSA-N 342.443 2.528 0 50 EFAA CN(C)C/C=C/C(=O)N(C)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 1875377098 SCEKHRAOXNOELE-IHVVCDCBSA-N 347.409 2.880 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1Cl 888078438 RLCJQFSEKKKGLR-WBMJQRKESA-N 348.834 2.593 0 50 EFAA Cc1nn(-c2ccccc2)c2ncc(NC(=O)[C@@H]3CCCN3C)cc12 890663606 RNEUSEYINHORDQ-KRWDZBQOSA-N 335.411 2.762 0 50 EFAA Cc1noc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3cncc(F)c3)C2)n1 894110437 GWWLDYGDZOLNJO-WCQYABFASA-N 347.394 2.637 0 50 EFAA Cc1nn(C)c2nccc(NCCn3nc(C(F)(F)F)cc3C)c12 895425263 GCUFGOLTHRFWEF-UHFFFAOYSA-N 338.337 2.913 0 50 EFAA O=S(=O)(CC1CC2(CC2)C1)NC[C@@H]1CCN(Cc2ccccc2)C1 1775994158 WMBSMXCEVJWQOP-KRWDZBQOSA-N 348.512 2.618 0 50 EFAA COc1ccc(Cl)cc1[C@H](C)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 1775986781 ZCGZMEPNVFCPEZ-PGUXBMHVSA-N 336.823 2.895 0 50 EFAA Cn1cncc1[C@@H]1CN(Cc2ccccc2Oc2cccnc2)C[C@H]1N 1775960428 LAMHRIMJNALRQL-QZTJIDSGSA-N 349.438 2.534 0 50 EFAA CCn1cc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)nn1 899365567 ATXUMDVVKGOGFU-QGZVFWFLSA-N 337.383 2.682 0 50 EFAA COc1ccccc1-c1cn(CC2(S(C)(=O)=O)CCCCC2)nn1 899729979 FTLOFYKPNIUSKH-UHFFFAOYSA-N 349.456 2.701 0 50 EFAA O=C(CSc1nc2ccccc2[nH]1)NCc1ccc2c(c1)OCO2 1424570 MROULFGAVCZUHS-UHFFFAOYSA-N 341.392 2.700 0 50 EFAA C[C@H](C(=O)O)C1CCN(C(=O)c2ccc([C@H]3CCOC3)cc2)CC1 2325813099 LHYUGSIDIPFJMT-GUYCJALGSA-N 331.412 2.763 0 50 EFAA CCOc1ccc(SCC(=O)OCCNc2cnccn2)cc1 893357306 MHBIZHWBVAHTCP-UHFFFAOYSA-N 333.413 2.623 0 50 EFAA CCc1nnc(CN2CCOC[C@@H]2CC(=O)c2cccs2)s1 119608289 GETOVDSULVBQMY-NSHDSACASA-N 337.470 2.636 0 50 EFAA CC(=O)c1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 47692 IBNMPRWSQFGCNQ-UHFFFAOYSA-N 336.347 2.514 0 50 EFAA COc1ccc(-c2nc(N)n(C(=O)c3ccc(Cl)cc3)n2)cc1 205353 YZSQYJUMRAMYLO-UHFFFAOYSA-N 328.759 2.878 0 50 EFAA O=C(c1cccnc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 352135 MNQMTIYJBITVIB-OAHLLOKOSA-N 335.285 2.583 0 50 EFAA COc1ccc(CN2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc1 2356140430 ITPVECRURDLSFH-PKOBYXMFSA-N 335.444 2.769 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc3ccn(C)c3c2)C[C@H]1O 2356144512 BFIIERYQDPIVIX-MJGOQNOKSA-N 330.428 2.616 0 50 EFAA O=c1[nH]c(O)nc2c1sc1nc3c(c(C(F)(F)F)c12)CCC3 4973633 YAERTHOSWOGWBQ-UHFFFAOYSA-N 327.287 2.746 0 50 EFAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 4998768 WVXRLPRHRVEBLW-ZJUUUORDSA-N 345.226 2.815 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@H](C)c2ccncn2)c1 55393411 QCOHLAJZAKABLA-SNVBAGLBSA-N 332.791 2.922 0 50 EFAA Cc1cc(C(N)=O)c(NC(=O)c2ncccc2Br)s1 225472448 LZIPTWCOIIVLHA-UHFFFAOYSA-N 340.202 2.565 0 50 EFAA CNC(=O)[C@H]1CCCN(Cc2csc(-c3ccc(OC)cc3)n2)C1 111263340 XKRASAPUQOACIQ-AWEZNQCLSA-N 345.468 2.777 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1noc2ccccc12 249694321 OYUAYBPUYKLJNX-IAGOWNOFSA-N 327.428 2.846 0 50 EFAA Cc1noc(C)c1CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 113094767 ZENPHNUIGDLOIH-UHFFFAOYSA-N 341.455 2.957 0 50 EFAA CCOc1cc(Cl)ccc1CNC(=O)[C@](C)(O)C1CCOCC1 343498081 YTHPXXKITZHKBZ-QGZVFWFLSA-N 341.835 2.533 0 50 EFAA Cn1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c2ccccc21 20715513 ZCAPDOXHFMLBCR-UHFFFAOYSA-N 327.428 2.509 0 50 EFAA COc1ccc(CN2CCN(c3ncccn3)CC2)c2ccccc12 23282253 NCNBXOGSSQVOAE-UHFFFAOYSA-N 334.423 2.961 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c1 20310886 LBRVXLJNHSHRQB-IBGZPJMESA-N 338.407 2.901 0 50 EFAA CC(C)(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(F)F 348461954 KWAXNJAMEWLFNX-OAHLLOKOSA-N 340.414 2.685 0 50 EFAA COc1c(F)cccc1C(=O)N(C)Cc1nc(-c2ccccn2)no1 67847002 GEAPLPGUALNGFK-UHFFFAOYSA-N 342.330 2.552 0 50 EFAA O=C1c2cccnc2CN1CC1(c2cccc(F)c2)CCOCC1 65406837 OEQRUYAMCMSSJH-UHFFFAOYSA-N 326.371 2.925 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 120799651 AYHYQQYBMHJSJT-ZDUSSCGKSA-N 348.422 2.658 0 50 EFAA Cn1cc(C2CCN(C(=O)c3ccc(Br)cn3)CC2)cn1 123250292 UWLNOZHUMSRVIX-UHFFFAOYSA-N 349.232 2.597 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc1 67540816 MPQWPRZBDGNVBJ-UHFFFAOYSA-N 349.434 2.924 0 50 EFAA Cc1ccc(-n2nc(C3CC3)nc2CSc2nnnn2C)cc1C 65435830 JVDVQVQYYOXARL-UHFFFAOYSA-N 341.444 2.577 0 50 EFAA O=C(NCC1CCN(Cc2ccccc2)CC1)N1CCSCC1 67772292 VSYPHGNGTVHVET-UHFFFAOYSA-N 333.501 2.657 0 50 EFAA CCN1C[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)CC1=O 32362796 CUNPVJPOKLSQSS-INIZCTEOSA-N 338.407 2.964 0 50 EFAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252551337 UCMCSWMBVYHQFS-CAOSSQGBSA-N 343.489 2.703 0 50 EFAA O=C1CC[C@H]2CN(c3ncccn3)CC[C@H]2N1CCc1cccs1 72476314 JOZAVTXTNMRGTK-GOEBONIOSA-N 342.468 2.598 0 50 EFAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc1 72174610 YPYFABHEBFANBD-MRXNPFEDSA-N 340.427 2.610 0 50 EFAA COc1ccnc(CN2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1 77456822 ARQZHVIKNNCISY-HXUWFJFHSA-N 343.471 2.705 0 50 EFAA O=C(NC(=S)N1CCN(c2ccccc2F)CC1)c1ccccc1 2571163 FGTZZDHJJURCDA-UHFFFAOYSA-N 343.427 2.663 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)C(=O)N(C)C1CCCCC1 229561158 SJNBGIBBXIOUJM-KFKAGJAMSA-N 349.519 2.641 0 50 EFAA CCn1cc(Cl)c(CN(C)S(=O)(=O)c2ccc(C)cc2)n1 2804548 AANCPXRLTYXUNM-UHFFFAOYSA-N 327.837 2.686 0 50 EFAA Cc1ccc(/C=C/S(=O)(=O)N(C)Cc2cn3c(n2)CCCC3)cc1 328642237 YIIZMAXBHMGCQZ-ZRDIBKRKSA-N 345.468 2.960 0 50 EFAA C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 229849350 FXWZJLGNDAMCSK-ZRGWGRIASA-N 338.455 2.928 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H](CN2CCOCC2)C1 229899420 UGHVOCDMYMYBFD-CGTJXYLNSA-N 346.446 2.500 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)CC(C)(C)CN1CCOCC1 215355862 NMGGYXGSWRDELR-IBGZPJMESA-N 345.531 2.803 0 50 EFAA NC(=O)c1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1 122500769 JHTGGFZNMSXPPC-UHFFFAOYSA-N 347.777 2.778 0 50 EFAA Cc1cccc(OC2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)c1 77428663 VGYBPMGCPVXTSO-IBGZPJMESA-N 347.455 2.951 0 50 EFAA Cc1ccccc1OC[C@H](O)COc1cccc(N2CCCC2=O)c1 153689449 XATSPVIINHCUEW-QGZVFWFLSA-N 341.407 2.941 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 363691216 JWDGZBTUIWXLRO-OLMNPRSZSA-N 341.455 2.591 0 50 EFAA Cc1cc(-n2cccn2)ccc1-c1nccn1[C@H](C)Cn1cncn1 71661920 HNLKPZDDTHKSJS-OAHLLOKOSA-N 333.399 2.897 0 50 EFAA CCC1(NC(=O)c2n[nH]c(C(C)C)c2Br)CCOCC1 330518484 YEAVZDHNUSMOIO-UHFFFAOYSA-N 344.253 2.985 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 72147745 MIBJOYKHEBCQMT-KRWDZBQOSA-N 339.443 2.777 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](n3cccn3)C2)c(C)n1-c1nccs1 367871342 CMYXWDLFHKMXPD-AWEZNQCLSA-N 341.440 2.834 0 50 EFAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cccc2c1OCCO2 156252501 HXEHGLMBQDNTGV-SFHVURJKSA-N 339.391 2.701 0 50 EFAA Cc1cnccc1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331954364 RLSCOGBGATVPFK-WMLDXEAASA-N 332.350 2.545 0 50 EFAA Cc1ncc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)cn1 77299370 YAEFMYQCADJYLR-LJQANCHMSA-N 339.439 2.631 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 236856580 CGFDWKWKOBVAAI-CXAGYDPISA-N 342.395 2.890 0 50 EFAA COC(=O)CCCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 77505146 WXAXYZVDHXKNKU-OAHLLOKOSA-N 329.400 2.878 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 262905562 MRSSQPILOCWBBL-KRWDZBQOSA-N 327.355 2.913 0 50 EFAA O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1ccc[nH]c1=O 216213192 XLLGABVMRRFQAK-MRXNPFEDSA-N 339.782 2.943 0 50 EFAA Cc1nc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)ccc1Br 128767754 JSBVGEXTHJGWEF-UWVGGRQHSA-N 340.221 2.672 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1ccccc1Cn1cccn1 77535121 NRTXBYYNSKUCMX-IBGZPJMESA-N 340.471 2.764 0 50 EFAA COCCn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O 40387979 IFHOXJDIHQPLFG-UHFFFAOYSA-N 334.379 2.666 0 50 EFAA COC(=O)c1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1 229772665 SHKITJJABFMBSA-JTDSTZFVSA-N 346.471 2.547 0 50 EFAA CC(C)CCOc1ccc(S(=O)(=O)Nc2cnsn2)cc1 242242373 XUHZMCBTCCPSQX-UHFFFAOYSA-N 327.431 2.764 0 50 EFAA C[C@@H](N[C@@H]1CCc2ccc(Br)cc21)C(=O)NCCF 338020597 MKAFFXKOTRTGGB-NOZJJQNGSA-N 329.213 2.500 0 50 EFAA CS(=O)(=O)N1CC[C@H](CN(Cc2ccccc2)CC2CCC2)C1 338234175 YPHRXVCNAUFZMF-GOSISDBHSA-N 336.501 2.570 0 50 EFAA COC(=O)[C@@H]1[C@H]2c3ccccc3OC[C@@]23C[C@@H]2N(c4ccccc4)[C@]21O3 229986083 FUYLGVJHJIQVPF-HQGWHWCQSA-N 349.386 2.710 0 50 EFAA CC(C)(C)c1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1 41625428 CHXLPYXHHRXTSE-MRXNPFEDSA-N 338.517 2.745 0 50 EFAA Cc1ccccc1N1CCN([C@H]2CCOC3(CCOCC3)C2)CC1 82106934 IXUGGDFYNTUPML-SFHVURJKSA-N 330.472 2.845 0 50 EFAA COc1ccc(-c2nc(NC(=O)Cc3nnc(C)o3)sc2C)cc1 195082843 HAQRHSKXBKRXBC-UHFFFAOYSA-N 344.396 3.000 0 50 EFAA Cc1cn2cc(C(=O)NCCc3nc4c(s3)CCC4)ccc2n1 82096323 ZTXKKXKXSJIJPH-UHFFFAOYSA-N 326.425 2.560 0 50 EFAA Cc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1C1CC1 285518545 VZIKIVWNTYTFFK-INIZCTEOSA-N 339.443 2.772 0 50 EFAA CCCO[C@H]1CCCN(C(=O)Nc2cc3c(cc2OC)OCO3)C1 426489541 MJHTVAJHLLVXAT-LBPRGKRZSA-N 336.388 2.847 0 50 EFAA Cc1cc(C)n(-c2cccc(-c3nccc(N4CCC[C@H](O)C4)n3)c2)n1 426584698 MLIGASYFZGNKCT-SFHVURJKSA-N 349.438 2.907 0 50 EFAA COCCc1nc(CN[C@@H](C)c2cccc(OC(F)F)c2)no1 289376920 PBODGNDSKVLMRQ-JTQLQIEISA-N 327.331 2.711 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc3occc3c2)on1 95382891 QRQHJTULGGSVIV-ZBFHGGJFSA-N 326.352 2.717 0 50 EFAA CCN1CC2(CCC1=O)CCN(Cc1cnc(C(C)C)nc1)CC2 91646095 SQGWZZFXVZIPMS-UHFFFAOYSA-N 330.476 2.825 0 50 EFAA O=C(NCc1cncn1C1CC1)c1nc2ccc(Cl)cn2c1F 426436531 IDNRZPAVBDYABS-UHFFFAOYSA-N 333.754 2.588 0 50 EFAA CCOCc1cc(CN2CCN(C3CCOCC3)CC2)ccc1OC 97499683 UWLSCPYBIMSLNS-UHFFFAOYSA-N 348.487 2.528 0 50 EFAA O=C(c1ccc(-c2c[nH]c3nccc-3c2)cc1)N1CC[C@H]2CNC[C@H]21 426712791 RLBBRWAOFAGNAZ-FUHWJXTLSA-N 332.407 2.615 0 50 EFAA Cc1nccn1CC1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 95530582 PMTMYWVICAZABW-GOSISDBHSA-N 339.439 2.681 0 50 EFAA CC[C@H](C)Oc1cc(C(=O)NCc2csc(COC)n2)ccn1 290924422 LDPNVVYCKJANIG-NSHDSACASA-N 335.429 2.792 0 50 EFAA COCCCN1CC[C@@H](CNC(=O)Nc2ccc3scnc3c2)C1 96140383 LXHIQZJCPRRROK-ZDUSSCGKSA-N 348.472 2.776 0 50 EFAA COc1ccccc1[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1C(=O)O 91847327 SWENDFPAHWXYAH-JKSUJKDBSA-N 331.412 2.902 0 50 EFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)n1 291841121 JDYKVQCFROSVTJ-NEPJUHHUSA-N 334.445 2.870 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)N1CCN(Cc2cccs2)CC1 95353530 CTLCBMVHFJLVGB-MRXNPFEDSA-N 335.517 2.657 0 50 EFAA O=C(NCCCCN1CCCC1)c1cccc([C@@H]2CCCNC2)c1 95383233 ZBKCWAJRNDUNIN-LJQANCHMSA-N 329.488 2.759 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 239203338 SDZKOIHKYYQFIP-RFHZTLPTSA-N 343.766 2.740 0 50 EFAA CCc1nnc(CNC(=O)c2ccc(CN3CCC(C)CC3)o2)s1 244708337 KRWRGMRWSFHIMK-UHFFFAOYSA-N 348.472 2.855 0 50 EFAA CCCc1nc(C)c(C(=O)N[C@H](CC(N)=O)c2ccccc2)s1 293956256 ICXOKGCUOXLHOI-CYBMUJFWSA-N 331.441 2.751 0 50 EFAA O=C(COC[C@H]1CCCCO1)NCCCc1nc2ccccc2s1 244900190 ZXTYGLZLGGITDF-CQSZACIVSA-N 348.468 2.931 0 50 EFAA O[C@H]1C[C@@H](c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1 252550826 SYIFYSKGNJWCIH-WOVMCDHWSA-N 339.439 2.875 0 50 EFAA CC(C)c1ccc(CCCNC(=O)N2CCC[C@@](O)(CO)CC2)cc1 534673816 OIMNZMNGADBQDX-FQEVSTJZSA-N 348.487 2.662 0 50 EFAA COC1CCN(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)CC1 534587281 KMFLKBYSMXEELP-SFHVURJKSA-N 349.450 2.783 0 50 EFAA Cc1cc([C@H]2CCCCN2C(=O)c2c3c(nn2C)CCCC3)no1 299762863 CKERPEZEABHZGE-MRXNPFEDSA-N 328.416 2.963 0 50 EFAA Cc1cc(NC(=O)N(CCCO)Cc2cccnc2)n(C(C)C)n1 299759881 OKYLOTREAOLJMS-UHFFFAOYSA-N 331.420 2.584 0 50 EFAA CCc1nn(C)c(NC(=O)N2CC[C@H](n3nc(C)cc3C)C2)c1CC 299795645 NHOIXGIZUMWMGE-AWEZNQCLSA-N 344.463 2.837 0 50 EFAA Cc1cc2nc(C(=O)N(C)Cc3cc(C(C)C)no3)cc(C)n2n1 299790478 BKBMVMPVQOLTOZ-UHFFFAOYSA-N 327.388 2.730 0 50 EFAA CN(Cc1nncn1C)C(=O)C[C@H](Cc1ccccc1)c1ccco1 827887541 LDQBJZBAIMVGDV-INIZCTEOSA-N 338.411 2.783 0 50 EFAA COc1cc(NC(=O)COCc2nc3ccc(C)cc3[nH]2)ccc1O 952963304 GSBCWYHETZYETN-UHFFFAOYSA-N 341.367 2.741 0 50 EFAA Cc1cnn([C@H](C)C(=O)Nc2cc(-c3ccc(O)nn3)ccc2C)c1 952984665 LPWMCDKUKQWTLU-CYBMUJFWSA-N 337.383 2.862 0 50 EFAA C[C@H]1CC[C@@H](CCC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 408474237 LPLDHMSNBORBHC-XPYUAMARSA-N 331.460 2.538 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)N2CCC[C@H]2C(F)F)cn1 1775997346 CCWBLXMOQHUBPU-MELADBBJSA-N 342.390 2.642 0 50 EFAA O=C1[C@H](NCc2cc(O)cc(F)c2)CCCN1Cc1ccccc1 185612210 SUILNLUDCIUHRJ-GOSISDBHSA-N 328.387 2.812 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)[C@H]1COc2ccccc2O1 274077973 RMZWKBXHARRKHD-LLVKDONJSA-N 341.289 2.526 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)n1 276118607 YBGLUIALHRLUMD-AWEZNQCLSA-N 341.415 2.536 0 50 EFAA CCS(=O)(=O)c1ccccc1NC[C@@H]1COC2(CCCC2)O1 276272998 HFKSUMIPRNAZES-CYBMUJFWSA-N 325.430 2.578 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)CCCc2cccs2)CCO1 276333615 PZFQVAJPKOXATM-BBRMVZONSA-N 333.457 2.841 0 50 EFAA COc1ccc(Cc2noc([C@H]3CCc4cn[nH]c4C3)n2)c(F)c1 277955485 RBCJBEZMCPJUND-NSHDSACASA-N 328.347 2.804 0 50 EFAA CO[C@@H](C)[C@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 170604798 ZOVGOUPDCHLCRP-UWVGGRQHSA-N 339.486 2.940 0 50 EFAA Cc1nn(C)c(C)c1CNC(=O)N1CCc2cc(Cl)ccc2C1 189366198 KPRSITIWFKKMCE-UHFFFAOYSA-N 332.835 2.958 0 50 EFAA COc1cccc2c1CC[C@H](NCc1nncn1-c1ccccc1)C2 192439054 HUVDOXCUFJGEIN-INIZCTEOSA-N 334.423 2.923 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 194219400 RYUYSJKXERGGQC-MLGOLLRUSA-N 343.358 2.837 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1cnn(-c2ccc(Cl)cc2)n1 741254496 AWFGIAGWEWYPPM-XHSDSOJGSA-N 332.835 2.824 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccoc2)s1 671645036 ZMMUEFYVWHQPDW-JTQLQIEISA-N 327.383 2.565 0 50 EFAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(-n3nccn3)nc2)C1 755948086 VIOGCCXDUFPJBS-BBRMVZONSA-N 349.398 2.672 0 50 EFAA C[S@@](=O)C[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775758362 QFSDVQYBDAQLOM-JLCFBVMHSA-N 337.828 2.895 0 50 EFAA C[C@@H](Cn1cncn1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 1506427797 NTFPUJYNTRQDJN-NSHDSACASA-N 345.403 2.739 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)COc3ccc(F)cc3)C[C@H]2C1 1529167511 MOJGVPFHCBMZRX-MDBPOYHNSA-N 334.435 2.782 0 50 EFAA Cc1ccc(CN(CC(=O)NCc2ccc(C(=O)O)o2)C2CC2)s1 1529112969 WCDLNWZRBGJXSM-UHFFFAOYSA-N 348.424 2.629 0 50 EFAA Cc1cc(CC(=O)N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)on1 1704342750 DDQUVOKFLFIRQY-BPAFIMBUSA-N 340.423 2.672 0 50 EFAA CCc1cc(N[C@H](COC)c2ccnn2C)nc(N2CCCCC2)n1 1704343157 UEIDAYTZKHSZIX-OAHLLOKOSA-N 344.463 2.562 0 50 EFAA CCCCc1ncc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)[nH]1 1772807208 RHAXAWGJXBIWQV-UHFFFAOYSA-N 335.411 2.891 0 50 EFAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)O)CC2=O)cc1 13261325 MLDHDPXPMPQPFZ-ZDUSSCGKSA-N 338.363 2.685 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)[C@@H]1CCOC1)C2 14997736 NPHLGXSFKQOXGD-ZBFHGGJFSA-N 338.407 2.513 0 50 EFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc(F)c[nH]1 1857527805 RQOXOYNLSROELL-OCCSQVGLSA-N 347.394 2.645 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2C(=O)Nc2cc(C)cnc2OC)cn1 1857531922 YRSFAZQLACXOBZ-GOEBONIOSA-N 344.415 2.721 0 50 EFAA C[C@H]1CN2C[C@@H](NC(=O)c3ccccc3-c3ccccc3)C[C@H]2CO1 1857717224 ZAGFTLSHMYWRNK-SZMVWBNQSA-N 336.435 2.945 0 50 EFAA Cc1cc(C)c(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1C 1857724466 FWHRNALJZTXXNH-QEUVDIPISA-N 342.483 2.793 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)c1F 328587274 TZSUNLMMLBWXDQ-UHFFFAOYSA-N 332.360 2.720 0 50 EFAA CN(Cc1ccnc(N(C)C)c1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328621469 ANBKZLRYUMSFOQ-ICSRJNTNSA-N 339.487 2.667 0 50 EFAA C[C@H]1CN(C(=O)c2ccnc3ccccc23)CCN1CC(F)(F)F 124601080 LSWIFQJVEVOQHO-LBPRGKRZSA-N 337.345 2.943 0 50 EFAA Cn1cc(C2CCN(C[C@@H]3CCCO[C@H]3c3nccn3C)CC2)cn1 667574670 OPTWPYQVLZIDHE-FUHWJXTLSA-N 343.475 2.501 0 50 EFAA CN(C)C(=O)[C@@H]1C[C@@H]1c1nc(-c2ccc(Br)s2)no1 252508521 XOMFXDJRWVLARR-NKWVEPMBSA-N 342.218 2.752 0 50 EFAA Cc1nnsc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 253433360 VZOZXSLCPPDEBO-ZDUSSCGKSA-N 347.831 2.753 0 50 EFAA COc1cc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc(OC)c1 257189255 IADJEHQZHKHFRO-SFHVURJKSA-N 335.444 2.600 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)CC[S@](C)=O 266773576 SQGARLLEKIONFX-MGUXCZDKSA-N 340.470 2.527 0 50 EFAA O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCCN1Cc1ccccc1 266954155 WYWQUUWICCVPED-MOPGFXCFSA-N 342.414 2.640 0 50 EFAA CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(C(=O)O)CCC2)CC1 902626962 FHNVSUVSJDOJQT-INIZCTEOSA-N 348.418 2.676 0 50 EFAA C[C@H]1CN(C(=O)COc2cc3ccccc3nc2C2CC2)CCO1 902870295 KAVADFOQFJVNQQ-ZDUSSCGKSA-N 326.396 2.738 0 50 EFAA C[C@@](CO)(NC(=O)c1csc(-c2ncc[nH]2)n1)C1CCCCC1 907381844 PURPPNFTXZFUMB-INIZCTEOSA-N 334.445 2.594 0 50 EFAA CCCc1nc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)no1 818024866 UMXJBRZYGQALRN-VQIMIIECSA-N 345.443 2.903 0 50 EFAA c1ccc(-n2ccc(CN3CC[C@@H](n4cc(C5CC5)nn4)C3)n2)cc1 931119910 SZLCLYKITCDOND-GOSISDBHSA-N 334.427 2.788 0 50 EFAA CCc1cccc(OC[C@H](O)CNCC[C@H](O)c2ccccc2)c1 843090350 XOKPTUSTLLSQMX-QUCCMNQESA-N 329.440 2.702 0 50 EFAA CS[C@H](C)CCNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1F 952875949 KCPLTDWMOKICTO-ISTVAULSSA-N 332.416 2.828 0 50 EFAA Cc1cc2oc(=O)cc(Cn3nnnc3-c3ccncc3)c2cc1C 1875258113 HNJCERZSFDRADJ-UHFFFAOYSA-N 333.351 2.507 0 50 EFAA O=C(O)CC(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 1875261792 QUEIZQLGOZEGJM-HNNXBMFYSA-N 338.285 2.781 0 50 EFAA c1ncn(-c2cncc(NCc3cc4c(s3)CCSC4)n2)n1 1875261896 GPATXHLNWZRFSB-UHFFFAOYSA-N 330.442 2.520 0 50 EFAA O=C(Cn1cc2ccccc2n1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888823553 HDCRGMKMVLTXEH-JXFKEZNVSA-N 332.407 2.969 0 50 EFAA C[C@H]1C[C@H](O)CN1c1ccnc(-c2ccc(Br)cc2)n1 893427769 PHEMPRAYUZSYHV-GWCFXTLKSA-N 334.217 2.866 0 50 EFAA Cc1cccc(C)c1CNC(=O)NCc1ncc(Br)cn1 893728097 NTPMRSLGPJTQDX-UHFFFAOYSA-N 349.232 2.855 0 50 EFAA Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NC[C@H]2CCC=CCCC2)n1 896053074 AOKKVEDNNYNZOR-SOUVJXGZSA-N 334.420 2.644 0 50 EFAA CN(C)c1nc2ccc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2[nH]1 1775989137 FECFITMDHFSAED-MRXNPFEDSA-N 338.415 2.719 0 50 EFAA O=C(O)C[C@@H]1CC[C@H]2CN(c3cc(NC4CC4)ncn3)CC[C@@H]2C1 2325777266 QHLOKVMEFSRLKJ-MCIONIFRSA-N 330.432 2.768 0 50 EFAA Cc1nnc([C@H]2CCCN2c2ccc3nnc(-c4ccccc4)n3n2)o1 2325780679 GWBVRIUXGJJVNX-CQSZACIVSA-N 347.382 2.824 0 50 EFAA CCN(C(C)=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(C)(C)C)CN2)cn1 2325795853 AIUSVYQSZQNNBA-ZBFHGGJFSA-N 346.475 2.807 0 50 EFAA Clc1ccc(-c2cnc(CN3CCNC[C@@H]3c3cn[nH]c3)o2)cc1 2325801127 XDNXTBFXSCQLPZ-OAHLLOKOSA-N 343.818 2.865 0 50 EFAA Cc1cc(C)nc(C(=O)NCCC2CCN(CCOC(C)C)CC2)c1 1419404744 XESRWOUZWIAQDM-UHFFFAOYSA-N 347.503 2.955 0 50 EFAA C[C@@H]1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3)cc21 2325873105 ZKDFETAQXYHXGQ-GFCCVEGCSA-N 330.409 2.957 0 50 EFAA COc1ccc([C@@H](CN2CCN(C)CC2)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110702961 HHZCNLRYMLTICT-XIGKFDRGSA-N 343.515 2.762 0 50 EFAA O=C(c1ccc(NC(=S)NC[C@H]2CCCO2)cc1)N1CCCCC1 612031 FYTZBYFGLNUQRG-MRXNPFEDSA-N 347.484 2.778 0 50 EFAA Cc1cccc(NC(=S)N2CCN(C(=O)c3ccco3)CC2)c1 1137703 LTPMHZBPAZGQHU-UHFFFAOYSA-N 329.425 2.743 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccn2)CC1 6285443 DTXVWBKQTZZUFG-UHFFFAOYSA-N 340.471 2.732 0 50 EFAA CCOC(=O)C1CCN(C(=O)CSCc2ccc(F)cc2)CC1 9426676 DZRWITJZYHWUJY-UHFFFAOYSA-N 339.432 2.861 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)n1cnc2ccccc21 248104531 FNSITTFYNBTLQC-ZTFGCOKTSA-N 326.444 2.683 0 50 EFAA CNCC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67947288 VFHVUZOGFFWIOC-UHFFFAOYSA-N 339.317 2.728 0 50 EFAA O=C(C1CC1)N1CCC(NCc2cc3ccc(F)cc3nc2O)CC1 1363856139 BNRBDXHXRYNDEB-UHFFFAOYSA-N 343.402 2.570 0 50 EFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)C[C@@H]2N=NC3=C2CCC3)n1 67974025 INMSZRPQXQUPEU-DYVFJYSZSA-N 326.448 2.961 0 50 EFAA Cc1cccnc1CCNC(=O)CCc1nnc(-c2ccccc2)o1 12448975 UNAKZQFZYKLFQN-UHFFFAOYSA-N 336.395 2.732 0 50 EFAA Cc1cc(N)n(CC(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)n1 215517413 JNSMYDZCKIFBAX-UHFFFAOYSA-N 345.834 2.576 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C[S@@](C)=O)c1 252509697 YTMLZXGPOVZHRF-GIGQVBGESA-N 337.894 2.509 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(F)cc1 229508115 FUHZEHBRVGGBQW-DOTOQJQBSA-N 330.407 2.540 0 50 EFAA COc1ccc(-c2nccn2CCN2CCNC2=O)c2ccccc12 71749711 VPBXIYICDFTCTL-UHFFFAOYSA-N 336.395 2.737 0 50 EFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1-n1cnnn1 229728179 UOCVUOWTWAPXGN-IDHHARJASA-N 339.443 2.915 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)CCc1ccnn1C 328630691 QEKOQXDUWJWBEO-ZDUSSCGKSA-N 332.473 2.696 0 50 EFAA Cc1nc(CCn2ccnc2[C@H](C)Cc2ccc3c(c2)OCO3)no1 77519486 NZAALUZGOCIQGY-GFCCVEGCSA-N 340.383 2.892 0 50 EFAA CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCCN(C)C1)nn2C 72407671 CQFYBDLMLYACEW-CYBMUJFWSA-N 330.432 2.641 0 50 EFAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 253395217 CQRHZOZQLSVURC-BHIYHBOVSA-N 343.398 2.981 0 50 EFAA C[C@@H]1CCCN1C(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328602121 AGWQRJORDJELRW-FHLIZLRMSA-N 325.412 2.961 0 50 EFAA CCCC1(O)CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 360306598 CPAMZRIAIBTSQU-SFHVURJKSA-N 348.462 2.944 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)NCc1nc(C(F)(F)F)cs1 153158263 OYKQIBDLHFORAW-UHFFFAOYSA-N 340.330 2.897 0 50 EFAA O=C(c1ccccc1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72422644 AYDRSDOVELKSGY-UHFFFAOYSA-N 349.390 2.752 0 50 EFAA O=C(Cc1cccs1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435569266 JNQVCIWLDUQOPF-CQSZACIVSA-N 347.509 2.918 0 50 EFAA Cc1cc(C)n2ncc(CN3CCC[C@@H](C(=O)c4ccccn4)C3)c2n1 215873386 PPKQWCXQJMKCCB-MRXNPFEDSA-N 349.438 2.836 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CC2(CCOCC2)O1 366171096 MPZVBZPHJYJRLE-HNNXBMFYSA-N 345.439 2.886 0 50 EFAA Cc1cc(F)ccc1[C@H]1CCCN1S(=O)(=O)c1c(C)cnn1C 331694596 YTHAPLMVDGECRY-OAHLLOKOSA-N 337.420 2.702 0 50 EFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cnc2n1CCCC2 372154854 BWECUBLSTYSVLY-KRWDZBQOSA-N 338.455 2.786 0 50 EFAA CC[C@H]1CN(Cc2nnc(C)s2)CCC(=O)N1Cc1ccccc1 71756813 WVBFQOGEGNEWGG-INIZCTEOSA-N 344.484 2.860 0 50 EFAA CS(=O)(=O)Nc1ncc(Cc2cccc(Br)c2)s1 130005313 JABFHACCAOWKBF-UHFFFAOYSA-N 347.259 2.868 0 50 EFAA N=C(O)C[C@H]1COCCN1C(=O)c1csc(C2CCCCC2)n1 334001373 RWBIOTBFUUJVJP-LBPRGKRZSA-N 337.445 2.957 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)Cc2cnc3ccccc3c2)n1 130200911 XZSIBOGEGVYDSW-UHFFFAOYSA-N 348.406 2.626 0 50 EFAA COc1cccc(CC2(C(=O)O)CCN(Cc3cccnc3)CC2)c1 71748551 DTVDVIMZNOGOLO-UHFFFAOYSA-N 340.423 3.000 0 50 EFAA CCCc1cc(O)nc(SCc2ccc(S(C)(=O)=O)cc2)n1 240551493 GUDVTUYHXFYRHG-UHFFFAOYSA-N 338.454 2.831 0 50 EFAA CC(C)(CCS(C)(=O)=O)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 173301998 DJPPPCYZHSBUNM-OLZOCXBDSA-N 343.876 2.773 0 50 EFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)CCc1cccn1C 426712000 HMLQEALGHOCJNC-MRXNPFEDSA-N 325.456 2.521 0 50 EFAA Cc1ccc(OCCN2CCn3nc([C@H](O)C4CC4)cc3C2)c(C)c1 220535833 VLXIDJCWGUCLHB-HXUWFJFHSA-N 341.455 2.838 0 50 EFAA CSCC[C@@H](O)C(=O)NCC1(c2ccccc2F)CCCC1 220596333 LETUQGMBAHDNBU-OAHLLOKOSA-N 325.449 2.868 0 50 EFAA CC(C)Cc1ccc(CN2CCC[C@@H](NS(C)(=O)=O)CC2)s1 82116354 YUCUVYYNTIADLR-CQSZACIVSA-N 344.546 2.850 0 50 EFAA COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCO[C@@]2(CCCOC2)C1 286440489 OEZBDZRPHKUJOU-BEFAXECRSA-N 348.443 2.656 0 50 EFAA COCCCSc1nnc(C2CCNCC2)n1Cc1ccccc1 426662365 VHQSYYSDUHZFDU-UHFFFAOYSA-N 346.500 2.922 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCCOc1ccccc1F 426473001 WEONDBJFYNJBND-UHFFFAOYSA-N 346.406 2.648 0 50 EFAA O=C(CCCOCc1ccccc1)N1CCC(c2ncon2)CC1 426522928 OWSZRHFZDOPFPN-UHFFFAOYSA-N 329.400 2.773 0 50 EFAA CCc1noc(CN(CC)C(=O)Nc2ccc3cnn(C)c3c2)n1 96148465 OORDMKQPWZTUQT-UHFFFAOYSA-N 328.376 2.573 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 178266111 FVQHPYAYQKSALU-FYJFLYSWSA-N 330.771 2.835 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCn2ccnc2C1 178472468 LEXWXYMUYSBKNL-GFCCVEGCSA-N 333.819 2.766 0 50 EFAA Cc1nc(C)n(CCNC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)n1 91476934 UMUCOZFQNYJFLD-UHFFFAOYSA-N 339.443 2.660 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)CCc2[nH]nc(C)c2C)C1 95519404 MCSWKZJFEQRTTD-HNNXBMFYSA-N 329.448 2.582 0 50 EFAA CCc1ccc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 95402553 OLYHOLMIDVZHME-CALCHBBNSA-N 340.423 2.919 0 50 EFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cnn2cccnc12 91625162 AAVJOZGMRFNXJA-CQSZACIVSA-N 346.390 2.966 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 96133761 REWXVQDWBLSDBJ-ZDUSSCGKSA-N 327.432 2.664 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)N1CCN2CCC[C@@H]2C1 179213516 HWDJUEMOPOUQIO-GFCCVEGCSA-N 337.445 2.545 0 50 EFAA Cc1ccccc1COC1CN(C(=O)CC[C@H]2CCCN(C)C2)C1 95388806 IQSNNJAMRDFTJZ-QGZVFWFLSA-N 330.472 2.844 0 50 EFAA COc1ccccc1NC(=O)CN(C)Cc1cc(C(C)(C)C)n[nH]1 240163613 JCIKHFHFQLVTBD-UHFFFAOYSA-N 330.432 2.786 0 50 EFAA CCCc1nnc(NC(=O)CN2CCC[C@H]2c2cc(C)no2)s1 244723465 MBYQYKPXUNLRHZ-NSHDSACASA-N 335.433 2.563 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 180101470 IIPHULHUFPXLEF-CRAIPNDOSA-N 347.361 2.816 0 50 EFAA CC(=O)[C@@H]1CC[C@@H]2[C@]34CC[C@@]5(O)C[C@H](O)CC[C@@]5(CO3)[C@@H]4CC[C@]21C 253595930 LBXLCHLTYHVXJM-UINDKGNYSA-N 348.483 2.843 0 50 EFAA COC[C@@]1(C)CCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 296319517 DLVUCXSAQIFOIH-INIZCTEOSA-N 346.349 2.995 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H]2C[C@@H](O)C2)cn1 253378347 CIKXFCNVIBAIPM-HHXXYDBFSA-N 340.423 2.949 0 50 EFAA CCO[C@H](C)CNC(=O)N1CCN(c2cccc(OC)c2)C(C)(C)C1 534648277 HDEPYFJUOXYMFB-OAHLLOKOSA-N 349.475 2.730 0 50 EFAA CC(C)N1C(=O)N[C@@H]2CN(C(=O)C/C=C/c3ccccc3F)CC[C@@H]21 299744518 OZOFNADUNSYHMB-PRPGUUAMSA-N 345.418 2.632 0 50 EFAA COCCn1ccc2c(OCC(=O)NCc3ccco3)cccc21 263587824 LQMGMLSYNZMTHZ-UHFFFAOYSA-N 328.368 2.576 0 50 EFAA CCn1c(C)cc2cc(NC(=O)N[C@H](C)Cn3cncn3)ccc21 299791459 CWMWLYKKPJRBKV-GFCCVEGCSA-N 326.404 2.771 0 50 EFAA CN1CCc2ccc(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)nc21 1940194679 DWCMHTPRIULBDI-ZDUSSCGKSA-N 336.317 2.502 0 50 EFAA Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)n2nc(C)cc2C)c(C)c1 828055673 LELDONATMALBGO-MRXNPFEDSA-N 342.443 2.823 0 50 EFAA CSCc1ccc(C(=O)Nc2ccccc2NC(=O)CN(C)C)o1 824920090 HNFZVGNJTDSTBD-UHFFFAOYSA-N 347.440 2.895 0 50 EFAA COc1ccc(Cc2nc([C@@H](C)N3CCCCC3)n[nH]2)cc1OC 824603755 FLZXMKRXSCHUHA-CYBMUJFWSA-N 330.432 2.960 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)c1cccc(-n2cnnc2)c1 828172128 QHTGDYBVKQEPNT-UHFFFAOYSA-N 330.351 2.705 0 50 EFAA O=C1C[C@H](c2ccccc2Cl)c2c(O)nc(N3CCCC3)nc2N1 828323334 LUHNBHXBMKBHNJ-LLVKDONJSA-N 344.802 2.910 0 50 EFAA O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(F)F)c1 905188916 PPWWGLYRBDAWCW-LLVKDONJSA-N 333.356 2.642 0 50 EFAA O=C(CCCn1cncn1)N1CCn2cccc2[C@H]1c1cccs1 952976231 VHZBTSXWANRPNN-KRWDZBQOSA-N 341.440 2.553 0 50 EFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3C[C@H]4OCC[C@@H]34)sc21 1565528064 BOAATYRPJMQATQ-CNUIFLNQSA-N 345.346 2.561 0 50 EFAA COc1ccc2c(c1)OCCC[C@@H]2NC[C@@H](c1cnn(C)c1)N(C)C 170077864 HKVUQNLVFIVFJU-ROUUACIJSA-N 344.459 2.535 0 50 EFAA COC(=O)N1CCC([C@H](C)NC(=O)c2cc3ccccn3c2)CC1 187430383 LIMFCQUYZOZSMI-ZDUSSCGKSA-N 329.400 2.536 0 50 EFAA CCC[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1 170603031 YGPGLHDIOMAHLZ-AWEZNQCLSA-N 331.445 2.758 0 50 EFAA O=C(O)CC1(NC(=O)c2cc3sccc3s2)CCOCC1 663122162 AMQJNVQISBRODJ-UHFFFAOYSA-N 325.411 2.717 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc[nH]c(=O)c1 188809325 MDLLARVRUQTETO-UHFFFAOYSA-N 340.301 2.545 0 50 EFAA CC(C)COC1CCN(C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 639458112 RMSVLUZRFAURNV-OAQYLSRUSA-N 346.515 2.760 0 50 EFAA CO[C@@](C)(C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1F 192207857 ZPDNABFJQYMDGG-GOSISDBHSA-N 344.342 2.657 0 50 EFAA COc1ccc(Cc2noc([C@@H]3CCn4ccnc4C3)n2)cc1OC 193185608 OPUZLRVFADAZJO-CYBMUJFWSA-N 340.383 2.604 0 50 EFAA COC(=O)Cn1cc(NC(=O)Cc2cccc(Cl)c2Cl)cn1 193875230 QKCCHUVWCOOSNT-UHFFFAOYSA-N 342.182 2.544 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cc(F)ccc1N1CCCCC1 673589255 XCOJLSJIRYCXPJ-AWEZNQCLSA-N 333.407 2.813 0 50 EFAA Cc1nnsc1[C@@H](C)NC[C@@H](O)c1cccc(Br)c1 1875285719 XDSORCNVKCKOLF-PRHODGIISA-N 342.262 2.993 0 50 EFAA CCCn1nc(C)cc1NC(=O)CCC(=O)Nc1cc(C)ccn1 1529121060 ZQYBYJDQPAFCOW-UHFFFAOYSA-N 329.404 2.662 0 50 EFAA COc1ccc(F)c(CN2CCC3(CC2)C[C@](C)(O)CCO3)c1F 1704310308 RFWGZZIQNFOSAX-QGZVFWFLSA-N 341.398 2.869 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 1772708863 GAYCVYQTSLJKIT-GXSJLCMTSA-N 325.771 2.706 0 50 EFAA CCc1nc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cs1 11933100 VWJKASQHMZOHKM-LBPRGKRZSA-N 335.473 2.503 0 50 EFAA CC(C)N1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 12382478 ABBTZIDRXZQPFC-LBPRGKRZSA-N 326.387 2.721 0 50 EFAA CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 12403821 UDFDHFMNSUOURS-CVEARBPZSA-N 346.427 2.998 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)on1 19147946 AWNFFRRUTNAZDG-ZWKOTPCHSA-N 334.416 2.611 0 50 EFAA O=C1CC2(CCCC2)CN1[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 19939957 ALLUUMHEIHESCY-MOPGFXCFSA-N 340.467 2.516 0 50 EFAA Cc1nc2ccccc2nc1-c1nccn1C[C@@H](O)c1cccnc1 1857683014 OYXOOHUFKTXSNI-QGZVFWFLSA-N 331.379 2.930 0 50 EFAA Cc1cc(C)c(CC(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c(C)c1 1857724876 QPROCPXQWNIFAV-HBFSDRIKSA-N 342.483 2.522 0 50 EFAA CCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2O)cc1 328596081 RJJUTHBWHPMFLW-UHFFFAOYSA-N 335.381 2.678 0 50 EFAA O=C(NC[C@H]1CCc2ccccc21)N1CCC(O)(C(F)(F)F)CC1 332067000 SLBRNUFRBNWJFO-CYBMUJFWSA-N 342.361 2.815 0 50 EFAA CNC1CCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)CC1 237083054 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2.884 0 50 EFAA CCc1noc(C)c1NC(=O)N[C@@H]1CCC[C@@H]1Oc1cnn(CC)c1 930551263 VYIGBOPSRZKVSQ-CABCVRRESA-N 347.419 2.883 0 50 EFAA CC(C)N(C)C(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 952883041 MGWWQEWSJRKSNH-JTQLQIEISA-N 333.358 2.610 0 50 EFAA C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C12CCC(CC1)C2 1875297830 FEUJOLBZKSPVFX-WHENESEISA-N 346.452 2.775 0 50 EFAA Cc1nn2c(c1C(=O)NC13CCC(C(=O)O)(CC1)CC3)CCC[C@@H]2C 1875318980 NSIFKKRAPQNZIV-RMEHTXHKSA-N 345.443 2.996 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(OC4CCCC4)CC3)n[nH]c21 1875394558 NBPVZTQIGMMDGC-OLZOCXBDSA-N 347.459 2.996 0 50 EFAA Cc1cc(-c2nc(-c3ccc(N4CCC(O)CC4)nc3)no2)ns1 1775994307 FVOSZIJUXUAFGD-UHFFFAOYSA-N 343.412 2.525 0 50 EFAA C[C@H](COc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2 1776002330 FSRTXGNYYFDDLH-GFCCVEGCSA-N 330.359 2.743 0 50 EFAA C[C@@H](c1ccccc1N1CCCS1(=O)=O)N(C)c1nccs1 1776000093 WRTNBBXXEJUXJL-LBPRGKRZSA-N 337.470 2.880 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)Nc1nnc(C(F)F)s1 899311498 OJEHGEAVOLEVSI-SSDOTTSWSA-N 334.348 2.727 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(O)nc1C(C)C)CCC2 2100543837 ZEBUUGFOTZEXII-ZDUSSCGKSA-N 328.416 2.760 0 50 EFAA C[C@H](NC(=O)c1ccc2c(=O)ccoc2c1)[C@@H](O)Cc1ccccc1 2325749115 QGSZSDZPJATURE-UGSOOPFHSA-N 337.375 2.515 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)CCc2nc3cccc(C)c3[nH]2)[nH]1 2325755492 NZFXTRISHVLTAD-UHFFFAOYSA-N 325.416 2.887 0 50 EFAA O=C(NC1CCC(F)(F)CC1)c1cc2nccc(C(F)F)n2n1 2325766440 SNXHMLWSQBZIQH-UHFFFAOYSA-N 330.285 2.975 0 50 EFAA Fc1cnc2c(N3CCN(Cc4cncs4)CC3)ccnc2c1 2325790292 CDGDDLGORRORLN-UHFFFAOYSA-N 329.404 2.548 0 50 EFAA Cc1nc(CNC(=O)C2(C)CCN(Cc3ccccc3)CC2)[nH]c1C 896913207 AZOCTEGVDLGBDB-UHFFFAOYSA-N 340.471 2.945 0 50 EFAA c1cc(-c2cnc3c(N4CCOCC4)nccn23)c2cccnc2c1 2356137961 CETHALNCJZWUCQ-UHFFFAOYSA-N 331.379 2.781 0 50 EFAA O=C(c1cccn1C1CC1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356159466 BROLLHNKVDINSN-IBGZPJMESA-N 327.428 2.583 0 50 EFAA Cn1ncc(Cl)c1C(=O)N1CCN(c2ccccc2Cl)CC1 6699249 HYUUUBVRQTUEDO-UHFFFAOYSA-N 339.226 2.689 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCNC3)cc2)o1 55281439 CFVKRGHOMIZBND-CYBMUJFWSA-N 327.384 2.778 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1nncn1C 248259114 PWEREWVLTROQDS-TVYUQYBPSA-N 349.232 2.559 0 50 EFAA CCc1oc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1CN(CC)CC 55387080 NKDDBQDQNZLUFO-OAHLLOKOSA-N 349.475 2.554 0 50 EFAA O=C(C[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)Cc1cccc(F)c1 225470861 LJSBFQJVOYOHKF-RDJZCZTQSA-N 347.411 2.966 0 50 EFAA Cc1cc(C)c(NC(=O)CCC(=O)NCc2csc(N)n2)c(C)c1 55393713 XIHJNHCKGRTQHI-UHFFFAOYSA-N 346.456 2.686 0 50 EFAA CO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2 416565310 SRFGNXDAUVKDBV-CVEARBPZSA-N 346.452 2.612 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN1CCc2cc(Br)ccc21 114716138 OEGLKUOKQILCOB-UHFFFAOYSA-N 349.232 2.790 0 50 EFAA O=C(NCCCOC[C@@H]1CCOC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 247129532 XAEJTMQJPXJFEC-OXODIDRGSA-N 336.476 2.554 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cncc(-c2ccccc2)c1 344816675 PAJMFUBBEGCONX-ZWKOTPCHSA-N 326.396 2.625 0 50 EFAA CCn1cnnc1CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 67884733 IPSDNZVXGNTIHH-UHFFFAOYSA-N 337.427 2.631 0 50 EFAA C[C@@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CO 248884880 DSNPDVRMXRFTHU-ABAIWWIYSA-N 345.270 2.655 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)c2cc(CC(C)C)no2)CC1 67878966 YAGMMYGZSLIQND-UHFFFAOYSA-N 342.443 2.929 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)c(N2C[C@@H](C(=O)O)CC2=O)c1 65452047 AZLGARIFGYQZJE-ZDUSSCGKSA-N 330.384 2.561 0 50 EFAA C[C@@]12CCCN1C(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O 328587071 OGJWTHLPQGADRJ-IBGZPJMESA-N 345.418 2.607 0 50 EFAA Cn1cc(Cl)cc1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 252477927 XVZHPTRAMDYPFC-RBSFLKMASA-N 337.851 2.825 0 50 EFAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)c1cc(F)ccc1F)C2=O 229750149 PWMXXCSQJWYDSR-WPKBUWHJSA-N 337.366 2.810 0 50 EFAA Cc1noc(C)c1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328631531 KNZRHJSTQTUGCL-NSHDSACASA-N 328.338 2.859 0 50 EFAA C[C@H](NC(=O)[C@@H](C)N1CCN(C)C[C@@H]1C)c1cc2ccccc2o1 229807369 YSPDOUCGQIQHON-SOUVJXGZSA-N 329.444 2.634 0 50 EFAA Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3[N+](=O)[O-])n2)c1 252506405 SNPUMPBKMVZWDO-CWRNSKLLSA-N 340.383 2.714 0 50 EFAA COc1cccc([C@@H]2C[C@@H]2C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c1 252517371 HCFOVIHYAJFKKV-LGOHOSHXSA-N 328.456 2.930 0 50 EFAA O=C(Nc1cnn(Cc2ccncc2)c1)c1cc(-c2ccco2)[nH]n1 355712240 ILQCEYWTKIGCKQ-UHFFFAOYSA-N 334.339 2.562 0 50 EFAA Cc1noc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)C2CCOCC2)n1 328609389 DCFMPMYHAITLJJ-INIZCTEOSA-N 340.383 2.757 0 50 EFAA CC(C)(C)c1cnc(CN2CCC(N3CCCNC3=O)CC2)s1 253429817 UVQJVQFPNCCDPO-UHFFFAOYSA-N 336.505 2.820 0 50 EFAA NC(=O)c1csc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1 123179231 MDBCXSUWOKMMGD-UHFFFAOYSA-N 347.459 2.694 0 50 EFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)ncc1Br 359296889 ITMKUKKQRGFUMZ-MRVWCRGKSA-N 341.249 2.519 0 50 EFAA CC(C)C[C@@H]1CCCN(C(=O)C2CCN(Cc3nccn3C)CC2)C1 152088676 JCRQFPZAMBOZNV-KRWDZBQOSA-N 346.519 2.917 0 50 EFAA CC(C)OCc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 363138256 RBYMOUIMSZHOJM-KRWDZBQOSA-N 345.443 2.887 0 50 EFAA Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCNC3)CC2)c1 77342940 WQRICAIZHCQOQM-QGZVFWFLSA-N 338.455 2.701 0 50 EFAA C[C@H]1Cc2cc(-n3ccnc3-c3cc4n(n3)CCCNC4)ccc2O1 72429840 KRFBQTIVPRPVKE-ZDUSSCGKSA-N 335.411 2.553 0 50 EFAA O=C(Nc1ccc2nncn2c1)[C@H]1CCN(c2ccccc2Cl)C1 365594384 IEOPOXXHYVJFHP-LBPRGKRZSA-N 341.802 2.848 0 50 EFAA CN1CCC(N2CCC[C@H](C(=O)NC3(c4ccccc4)CC3)C2)CC1 71749643 JGFIOEXCDSDMTG-KRWDZBQOSA-N 341.499 2.598 0 50 EFAA COc1cccc(CN2CCC(F)(F)CC2)c1O[C@@H](C)C(=O)O 216246706 WIFNVPIRUKNOGX-NSHDSACASA-N 329.343 2.778 0 50 EFAA CC1(C)C(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1(C)C 72154491 RIYBDHJNAHZBAI-OAHLLOKOSA-N 346.446 2.768 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@@H](O)c3cccc(F)c3)cc2c1 215468401 SCLNPMAKVJELHO-KRWDZBQOSA-N 328.343 2.665 0 50 EFAA O=C(O)c1ccc(Cn2ccnc2-c2cccc3nonc23)s1 71753320 LERYODKSPCLDAV-UHFFFAOYSA-N 326.337 2.894 0 50 EFAA COc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1Cc1ccccc1 262391782 AJVNXTWUINPNBJ-HZPDHXFCSA-N 325.364 2.945 0 50 EFAA O=C(c1cnc(S)n1-c1ccccc1)N1CCOC2(CCC2)C1 128555878 ZGWDJDIYGIKDQY-UHFFFAOYSA-N 329.425 2.556 0 50 EFAA NCc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 237955096 YSPFZFQVQYBWON-UHFFFAOYSA-N 329.831 2.761 0 50 EFAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc(NCC2CC2)nc1 282080766 CFWVQFYJCOJCQZ-UHFFFAOYSA-N 341.415 2.773 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COCc2ccccc2)c1 282498111 MZDWENRZBFCDLM-HKUYNNGSSA-N 341.407 2.546 0 50 EFAA O=C1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C2(CCC2)N1 282616346 FEAVQNXGJYHZPS-ZDUSSCGKSA-N 328.334 2.718 0 50 EFAA Cc1ccc2c(CC(=O)N3CC[C@H](OC(=O)N(C)C)C3)coc2c1 496255726 NTWDJAIHTDUOJX-AWEZNQCLSA-N 330.384 2.583 0 50 EFAA COc1cc(C(F)(F)F)ncc1NC(=O)N1CCOC[C@@H]1C1CC1 239667964 BSJARGDIJLSCSN-LLVKDONJSA-N 345.321 2.752 0 50 EFAA O=C(Nc1cn[nH]c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 239654251 BNBKGSXIZNFRAH-UAGQMJEPSA-N 338.411 2.822 0 50 EFAA C[C@@H](NC(=O)C(=O)NCc1cccnc1)c1cccc2ccccc12 241926451 UGHHRCOZDHFOJY-CQSZACIVSA-N 333.391 2.728 0 50 EFAA Nc1nc(CCCNC(=O)c2ccc(N3CCCC3)cc2)cs1 222398934 AWMUTZIOCWRCBE-UHFFFAOYSA-N 330.457 2.688 0 50 EFAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 339203144 JTQJJDMHKDSJLD-OAGGEKHMSA-N 336.476 2.584 0 50 EFAA CN(C)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c(F)c1 263380395 BMMSOXDGUAJILI-LYRGGWFBSA-N 334.391 2.750 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1365653571 WYBWZUGRRYSYGV-IARIHHJXSA-N 349.862 2.785 0 50 EFAA COCc1nn2c(nnc3c(=O)n(C4CC4)ccc32)c1-c1ccccc1 40391165 XXINZMNSBQAGNC-UHFFFAOYSA-N 347.378 2.588 0 50 EFAA Cc1nn(Cc2ccc(C(=O)NC3CC3)o2)c(C)c1Br 20606860 UZKUTEGQINBHED-UHFFFAOYSA-N 338.205 2.796 0 50 EFAA COCC[C@]1(CO)CCCN(CCOc2ccc(Cl)cc2)C1 91382122 DXTUNVUBBJTGJS-QGZVFWFLSA-N 327.852 2.830 0 50 EFAA CN1CCC(N(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CC1 426475601 XZBCRRHPXAVTJD-OAHLLOKOSA-N 331.464 2.797 0 50 EFAA COc1cccc2c1OC[C@H](Cc1cnc(-n3cnnc3)c(C)c1)C2 95383274 ZDVOTCBGHHXXDN-OAHLLOKOSA-N 336.395 2.773 0 50 EFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC(c2ccccn2)C1 92096880 CQTVATOKAZTGMP-SJORKVTESA-N 343.471 2.730 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1OC 239038954 FETVUYLKJWBUHT-KMNSEVKQSA-N 347.411 2.628 0 50 EFAA Cc1ncc(CN2CC[C@H](C(=O)N3CCCC3)C2)n1-c1ccccc1 290628915 XUXYMGAIRJLFGH-KRWDZBQOSA-N 338.455 2.625 0 50 EFAA CCCCn1c(S(=O)(=O)Cc2cncc(F)c2)nc(C)c1C 290631075 LGJLPEZPFSKBOR-UHFFFAOYSA-N 325.409 2.808 0 50 EFAA O=C1CCC2(CCN(c3ccncc3F)CC2)CN1C[C@H]1CCCO1 92004524 HJHKFHPQEORRNY-OAHLLOKOSA-N 347.434 2.609 0 50 EFAA C[C@]1(O)CCCN(C(=O)NCc2ccccc2N2CCCCC2)C1 183687556 SKCRFIWSVVUESR-IBGZPJMESA-N 331.460 2.733 0 50 EFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c(O)c1 91665183 JYVWWGMAWJRNGH-HZPDHXFCSA-N 344.455 2.737 0 50 EFAA CC[C@H](NC(=O)c1csc(C)n1)c1ccc(S(C)(=O)=O)cc1 96164409 OWZHUPGUNZHNJE-ZDUSSCGKSA-N 338.454 2.736 0 50 EFAA Cc1csc(CCCNC(=O)[C@H](c2cccc(F)c2)N(C)C)n1 95372948 VNQMZEWBEKYKBJ-INIZCTEOSA-N 335.448 2.942 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CCN(C)C1CCOCC1 244659709 HHQIBNWNSOPGFG-UHFFFAOYSA-N 326.824 2.788 0 50 EFAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)[C@H]1CC[C@@H](O)CC1 244900113 ZWGJHUPKYBILGX-JQHSSLGASA-N 328.387 2.977 0 50 EFAA Cc1noc([C@H](C)N(C)Cc2cc(Cl)ccc2OCC(=O)O)n1 244724722 MZLFRPGXSJCREP-VIFPVBQESA-N 339.779 2.688 0 50 EFAA CO[C@@H]1O[C@@H]2CC[C@H]3[C@H]2[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@@H]7CC[C@@H]8O[C@@H]([C@H]([C@H]5[C@H]87)[C@H]34)[C@]621 247886153 RRUNHOPDGXUDJX-YIIZVDNQSA-N 326.436 2.545 0 50 EFAA Cc1ccn(CCN2CCN(c3nsc4ccccc34)CC2)n1 252505413 VRFHKLNKAVHJJE-UHFFFAOYSA-N 327.457 2.623 0 50 EFAA CN1CCN(Cc2nnc(C3CC3)n2C2CC2)[C@H](c2ccccc2)C1 181521575 CJVAHPHSTVTSCN-SFHVURJKSA-N 337.471 2.979 0 50 EFAA C[C@H]1CO[C@H](C)CN1C(=O)NCCc1csc(C(C)(C)C)n1 183416653 UJTZIDPANOGVAZ-NWDGAFQWSA-N 325.478 2.802 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNc2cc([C@H]3CCOC3)ncn2)n1 299784289 SXUKZFFMSPTHTE-JTQLQIEISA-N 339.321 2.710 0 50 EFAA CN(C)CC(=O)Nc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 823676183 QUFWMOIIGZWAOU-UHFFFAOYSA-N 340.427 2.505 0 50 EFAA Cc1nc(CCn2cnc3c(C)csc3c2=O)nc2c1CCC2 584889212 IKKXETJKHJFMMR-UHFFFAOYSA-N 326.425 2.596 0 50 EFAA O=C(c1ccnc(-c2ccccc2)n1)N1CC2CC1(c1ncc[nH]1)C2 1347202318 GRISJTJNNUNDHU-UHFFFAOYSA-N 331.379 2.628 0 50 EFAA CO[C@H](CNC(=O)c1cc(CC(C)C)nc(O)n1)c1cccs1 952968826 DPTROQWFPUGZIR-CYBMUJFWSA-N 335.429 2.560 0 50 EFAA CCc1nccn1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 952968390 CBBHHSKDMMTNIF-CQSZACIVSA-N 343.427 2.874 0 50 EFAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NCC(=O)N1CCCC1 952991387 QZALJUUUWGAGOH-KRWDZBQOSA-N 340.423 2.735 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)s1 408172139 SDKJEGJYFOBZQZ-ABAIWWIYSA-N 343.470 2.736 0 50 EFAA COCCCCCNC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 408524122 QKHWSLYUGKSCRY-CQSZACIVSA-N 337.468 2.981 0 50 EFAA Cc1noc(C)c1CCN1CCC[C@H](c2nnc3ccccn23)C1 165987487 JUWPOKPFGZZUSL-HNNXBMFYSA-N 325.416 2.756 0 50 EFAA CC(C)C(C)(C)CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1 186873128 WGSALBIAPCBBMR-HNNXBMFYSA-N 336.480 2.557 0 50 EFAA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cccc(C)n2)c1 188281480 MVCBGTIPJCPWGI-NVXWUHKLSA-N 326.396 2.827 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 190220377 ADOUKPRAQRRYPA-WAIKUNEKSA-N 336.457 2.847 0 50 EFAA CC1(C)CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)[C@@H]1[C@@H]1CCCO1 646431761 VHAVIYACERRCNG-LSDHHAIUSA-N 326.400 2.501 0 50 EFAA C[C@H]1CCCN(C(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 194871008 FJIRNNBHPLOIBT-AWEZNQCLSA-N 338.473 2.563 0 50 EFAA Cc1ccc([C@H](Nc2cc3nncn3c(N)n2)c2ccncc2)cc1 1529153671 UAZGZOAIZIHGAL-KRWDZBQOSA-N 331.383 2.611 0 50 EFAA COc1cc(CN2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)ccc1F 1529189752 XJPFEUNVTPYTGT-KDOFPFPSSA-N 334.391 2.820 0 50 EFAA Cc1ncc(CN(CCO)C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 1704313921 SIZRJQZKDNPRRL-IBGZPJMESA-N 345.418 2.546 0 50 EFAA O=C(O)c1c(NC[C@H]2CCN(C3CC3)C2)noc1-c1ccccc1 1772707335 PSRZYQYHGGCGNT-GFCCVEGCSA-N 327.384 2.936 0 50 EFAA Cc1cc(C(=O)N2CCCN(Cc3cc[nH]n3)CC2)ccc1Cl 1775978773 CQTODWHAGNRFMJ-UHFFFAOYSA-N 332.835 2.720 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 5228886 WZLPMEFLVNRRPZ-BSHMEKIXSA-N 346.467 2.809 0 50 EFAA O[C@@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1Cl 5685429 UZEMNULQSDGRJD-KBPBESRZSA-N 349.814 2.509 0 50 EFAA COc1cccc(C(=O)[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 12747322 BZYCVBKFRXWVAW-KRWDZBQOSA-N 344.455 2.601 0 50 EFAA O=C(NCCCc1ccccn1)c1ccc(N[C@H]2CCSC2)nc1 15076680 AXKYULJNDPBVHS-INIZCTEOSA-N 342.468 2.757 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccncc1 15080247 IFSRDLUDRRTFGW-SFHVURJKSA-N 345.402 2.766 0 50 EFAA Cc1ccc(NC(=O)NCCN2CCN(c3ccccc3)CC2)cc1 16622887 QZMVDIOSOFKQIN-UHFFFAOYSA-N 338.455 2.939 0 50 EFAA COc1cccc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1 19564605 ZQWPJLYTEDNECH-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccoc4)n3n2)cc1 169778420 PJHBIXWIMZYPOC-UHFFFAOYSA-N 333.351 2.623 0 50 EFAA CCCC(O)(CCC)CC(=O)Nc1cccc(-c2noc(=O)[nH]2)c1 305019377 NHMKAZAKXWZCPT-UHFFFAOYSA-N 333.388 2.690 0 50 EFAA Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)cc1F 408515398 HUGSGZUCINTYLW-LBPRGKRZSA-N 336.794 2.764 0 50 EFAA CCOc1ccc(CN2CCN(c3nccnc3C)CC2)c(C)c1 668102206 KMGJGWYKDBYMGV-UHFFFAOYSA-N 326.444 2.814 0 50 EFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)Cn1cc(C2CC2)nn1 152863007 PCRQAYTVHMPZLH-QGZVFWFLSA-N 340.427 2.534 0 50 EFAA Fc1ccc(-c2cc(CN3CCNCCC34CCOCC4)on2)cc1 903813958 DHDHPHRUVGYUAS-UHFFFAOYSA-N 345.418 2.825 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Br 7308145 XZANJRQORMYGIF-GHMZBOCLSA-N 348.262 2.555 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 821544041 NFHDCFJRPNESRQ-NSHDSACASA-N 349.374 2.803 0 50 EFAA O=C(NCC1(O)CCC(F)(F)CC1)[C@@]1(c2ccccc2)CCCO1 826018922 RYONWLMJEZVLKA-SFHVURJKSA-N 339.382 2.749 0 50 EFAA O=C(c1ccnc(-c2ccco2)c1)N1CCC[C@H](N2CCCC2=O)C1 932525999 NMMWITNLGRLBQQ-HNNXBMFYSA-N 339.395 2.569 0 50 EFAA Cc1occc(=O)c1OCC(=O)N(C)Cc1ccc(F)c(Cl)c1 935651911 YQYDVTKACJHGOY-UHFFFAOYSA-N 339.750 2.778 0 50 EFAA Cc1c(Cl)nc(-c2ccccn2)[nH]c1=NCC=C1CCNCC1 1875308286 YBBZONQFFFWCRN-UHFFFAOYSA-N 329.835 2.644 0 50 EFAA CO[C@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](F)[C@@H](c2ccccc2)C1 1875362476 HCUOJJVQNZMZJL-NCOADZHNSA-N 341.448 2.711 0 50 EFAA CN(Cc1ccc(Br)s1)S(=O)(=O)c1cccnc1 390833781 MYAQUULGSLVKCC-UHFFFAOYSA-N 347.259 2.726 0 50 EFAA Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1C[C@](O)(C(F)(F)F)C1)CO2 2325804158 XMDRVTTYZOYATF-KFNAQCHYSA-N 343.345 2.599 0 50 EFAA Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C 366405 AQLGTFFGNAGJOX-UHFFFAOYSA-N 346.452 2.704 0 50 EFAA Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(N)c1 469258 AWUPSQPXUIPKIA-UHFFFAOYSA-N 345.472 2.605 0 50 EFAA Cn1ncc2ncc(C(=O)N3CCC4(CC3)CNc3ccccc34)cc21 2356163820 RZRFZJSJXXEHNQ-UHFFFAOYSA-N 347.422 2.568 0 50 EFAA CSc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ncc[nH]2)c1 3878198 MXDOCYQRQJEZRR-GOSISDBHSA-N 337.404 2.985 0 50 EFAA Cc1nnc2sc(COc3ccc(Br)cc3)nn12 4867935 CLEXQFYFDBPHSP-UHFFFAOYSA-N 325.191 2.836 0 50 EFAA CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCOc1ccccc1 6759642 MABDIDNWXTXREX-IBGZPJMESA-N 338.407 2.852 0 50 EFAA CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1nc(C)sc1Br 410700486 KJNKSYMIDZMNCG-RNFRBKRXSA-N 349.250 2.532 0 50 EFAA O[C@H](CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1F 222122349 MGBOIVKIWHAVIA-CXAGYDPISA-N 330.407 2.665 0 50 EFAA CCC(CC)n1c(=O)n(C[C@@H]2CCCCO2)c2cc(C(=O)O)cnc21 55154881 FBLAAEIWRHOBRV-AWEZNQCLSA-N 347.415 2.826 0 50 EFAA Cn1cc(CCC(=O)Nc2cc(F)c(OC(F)F)cc2F)cn1 344299529 BGIXTVLHBKOKQN-UHFFFAOYSA-N 331.269 2.871 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1[nH]nc2c1C[C@H](C)CC2)C(C)C 55280816 GTTQTTXIKXXROZ-GFCCVEGCSA-N 343.475 2.936 0 50 EFAA CCCN(c1ncnc2sc3c(c12)CCNC3)[C@@H]1CCCC[C@H]1O 65371456 RTAYTPHCAZJVBJ-ZIAGYGMSSA-N 346.500 2.857 0 50 EFAA O=C(C1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1)N1CCCC1 67434360 WEAJOCSPZIOYPJ-UHFFFAOYSA-N 328.416 2.504 0 50 EFAA CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 65384075 ZTHOMVWNCQQRGS-OPUMOTSWSA-N 343.471 2.975 0 50 EFAA CN(Cc1cnn(C)c1)C[C@H]1CCCN(CCc2ccccc2F)C1 20539790 MYLMLKJTNSTWGS-QGZVFWFLSA-N 344.478 2.946 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65404793 BUBOOBGJCBHQSB-LJQANCHMSA-N 338.411 2.525 0 50 EFAA C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N1CCc2ccccc2C1 252517713 PJYJAYMHYSFPJS-UIAACRFSSA-N 335.451 2.748 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=S)NC2CCCCC2)C[C@@H](C)O1 229682299 VTIVBCUKAMMNFY-HLLBOEOZSA-N 339.549 2.767 0 50 EFAA Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@@H](C)C[S@@](C)=O 120040696 JGGQBZUDXVEMAR-XMHCIUCPSA-N 325.478 2.600 0 50 EFAA C[C@H]1CCCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 229707772 OLCZPJOUGLVFRU-MAUKXSAKSA-N 334.435 2.848 0 50 EFAA C[C@@H](OCC1CC1)C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 328642577 RDDSFNRXLYUGRK-VQIMIIECSA-N 345.487 2.710 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)OC1=O 77486038 BUVWWCIIABBWAD-CYBMUJFWSA-N 335.404 2.599 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1 215892101 ZNRCSSIWBHFPRM-MRXNPFEDSA-N 336.439 2.652 0 50 EFAA Nc1ccnc(N2CCC[C@@](Cc3cccc(Cl)c3)(C(=O)O)C2)n1 71404078 AYKPFKQETGKZMP-KRWDZBQOSA-N 346.818 2.626 0 50 EFAA CC(C)CCN1CC2(CCN([C@H](C)CCN(C)C)CC2)OC1=O 72480512 KZSSXFJGUASKAW-MRXNPFEDSA-N 325.497 2.660 0 50 EFAA CC(=O)NCc1ccc(C(=O)Nc2ncccc2OC(C)C)cc1 253419974 ODHXYLLBAVBRGT-UHFFFAOYSA-N 327.384 2.757 0 50 EFAA Cc1nn(-c2ccccc2F)c(C)c1NC(=O)CC1CCNCC1 253431328 GSBUDGRXGHCTCJ-UHFFFAOYSA-N 330.407 2.956 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 152904702 DOXTWNSMSJCSKD-IFIJOSMWSA-N 342.345 2.512 0 50 EFAA Cn1c(CN2CCC(N3CCC[C@@H](O)C3)CC2)cc2ccccc21 72410972 WMGMTDVUIZFONU-LJQANCHMSA-N 327.472 2.599 0 50 EFAA Cc1nnc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)o1 331812853 LOIOLKAXLZXMDB-SNVBAGLBSA-N 329.326 2.510 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)N2CCOCC2)cc1 72153896 BWAMYJIKJXQJPL-GOSISDBHSA-N 331.460 2.727 0 50 EFAA CN1C(=O)[C@@](CC(=O)N2CC=CC2)(Cc2ccccc2)c2ccccc21 71681918 MWBOYCMNLNJKBT-JOCHJYFZSA-N 346.430 2.932 0 50 EFAA COc1cc2cc(C(=O)NC3CCN(C(C)C)CC3)[nH]c2cc1OC 332196349 HFHWHHNJAPJNFS-UHFFFAOYSA-N 345.443 2.788 0 50 EFAA Cc1cccnc1CCNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 333054419 CEDKOFJLQRMWRV-SJORKVTESA-N 329.444 2.676 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)c3ccccc3OC3CC3)CC2)CCO1 376647528 YBGXZPFEUHVDBX-OAHLLOKOSA-N 344.455 2.553 0 50 EFAA C[C@H]1CN(C(=O)NCCc2cscn2)C[C@@H](c2ccsc2)O1 159072044 YLFKGIYNAKDCDU-FZMZJTMJSA-N 337.470 2.919 0 50 EFAA Cc1ccc(F)c(CC(=O)NC2CCN(Cc3ccccn3)CC2)c1 448725771 NEFKERMLFASHHK-UHFFFAOYSA-N 341.430 2.852 0 50 EFAA Cn1ncc2c1CCCN(C(=O)NCc1cnccc1C(C)(C)C)C2 334112055 CSLSVVOKQOLBQV-UHFFFAOYSA-N 341.459 2.771 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 263015349 IGUFSIJABVMTAY-MRVPVSSYSA-N 348.733 2.922 0 50 EFAA CC1(C)[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)[C@@H]2CCO[C@H]21 240471693 GDWVJVQOLYWBQW-NJNCZSALSA-N 348.443 2.691 0 50 EFAA CC1(C)C[C@@H](NC[C@@H](O)COc2cccc3[nH]ccc23)C(C)(C)O1 132590233 QIFXQNIQUWSMRA-CXAGYDPISA-N 332.444 2.843 0 50 EFAA O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1Cc2ccccc2O1 174091933 APDFXADMSITCRA-KRWDZBQOSA-N 337.379 2.549 0 50 EFAA COc1cccc2ccc(CN3CCn4nc([C@@H](C)O)cc4C3)nc12 221351460 UAELFKWUHZGIGH-CYBMUJFWSA-N 338.411 2.509 0 50 EFAA CCCOc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)cc1 221379503 ZDWAAHAWLVHNPJ-MRXNPFEDSA-N 340.427 2.664 0 50 EFAA CN(C)c1ccccc1-c1ccc([C@@H](O)CN2CCOCC2)cc1 426419904 DOMFOBLTENNVCJ-FQEVSTJZSA-N 326.440 2.785 0 50 EFAA CC(C)c1nc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)no1 176923275 AXPHMVJBCCPXHI-LBPRGKRZSA-N 347.419 2.996 0 50 EFAA CCCn1nc([C@@H]2CCOC2)nc1C1CCN(C2CCOCC2)CC1 97413168 ZPQADYHWUAQLMB-MRXNPFEDSA-N 348.491 2.550 0 50 EFAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCc2occc2C1 289801575 ROOXVLFGCWCAHE-UHFFFAOYSA-N 333.409 2.580 0 50 EFAA CC1(C)C[C@H](CN2CCN(Cc3ccccc3CO)CC2)CCO1 97522607 HXZAJCSVHGFWKL-QGZVFWFLSA-N 332.488 2.502 0 50 EFAA CC(C)[C@H]1NCC[C@H]1C(=O)NCC(=O)Nc1cccc2ccccc12 290017292 QSUXFKHGXSPLJA-VQIMIIECSA-N 339.439 2.529 0 50 EFAA Cc1ccccc1COC1CN(C(=O)c2cn3ccsc3n2)C1 91636669 FIOIZZFKUNCLHT-UHFFFAOYSA-N 327.409 2.745 0 50 EFAA COc1ccccc1OCCNC(=O)[C@H](c1cccc(F)c1)N(C)C 92061853 QCBLNNWWZDIKPS-SFHVURJKSA-N 346.402 2.632 0 50 EFAA COCCc1nc(Cn2cnc3ccccc32)n(-c2cccc(C)n2)n1 97766632 IAFGYNDLVOEQLC-UHFFFAOYSA-N 348.410 2.558 0 50 EFAA Cc1nn(C(C)C)c(C)c1CNC(=O)[C@@H]1COc2ccccc2C1 95528799 SYHQDHDDBFCSOT-INIZCTEOSA-N 327.428 2.948 0 50 EFAA COCCN(Cc1cccs1)C(=O)Cc1cnc2c(C)cccn12 97619671 ZJKQEMCPIVGMHI-UHFFFAOYSA-N 343.452 2.922 0 50 EFAA Cc1cccc(CC2(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 91505647 LEONJQYKAQUVFA-QGZVFWFLSA-N 340.467 2.977 0 50 EFAA CCc1nnc(NC(=O)CCN2CCCC[C@H]2c2cc(C)on2)s1 244795725 RMMFUSWMGHYQAQ-ZDUSSCGKSA-N 349.460 2.953 0 50 EFAA O=C(Cn1ccc2ccccc21)NCCc1nc(O)c2ccccc2n1 253536360 OOTNNYRUPZTLOC-UHFFFAOYSA-N 346.390 2.649 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@H]1Cn1ccnn1 299745633 RNASFQGUBFYCIB-JTQLQIEISA-N 342.296 2.741 0 50 EFAA CC(C)n1nccc1NC(=O)NCC[C@H]1COc2ccccc2O1 299783332 YAEMWBWGCJNMPI-ZDUSSCGKSA-N 330.388 2.816 0 50 EFAA Cc1ccc(CN2CCC(CNC(=O)c3sc(N)nc3C)CC2)o1 299767029 AVRPSENEXDPFEY-UHFFFAOYSA-N 348.472 2.577 0 50 EFAA CC(C)Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)on1 299758621 JYCUGWOINRTRCG-OAHLLOKOSA-N 328.368 2.525 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)no1 299801475 YPZOWDXEGVSUGJ-LLVKDONJSA-N 343.412 2.849 0 50 EFAA O=C(/C=C/c1nc2ccccc2s1)N1CCNC(=O)C12CCCC2 952983534 GTGAVJBOSZIPSS-BQYQJAHWSA-N 341.436 2.581 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc2c3c([nH]c2c1)CCCC3 1565512278 XEOZUVPROXDPFT-ROUUACIJSA-N 328.412 2.580 0 50 EFAA CN1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 300804034 GADAYIHFEOXKHA-OAHLLOKOSA-N 325.497 2.706 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2csc(Cc3ccccc3)n2)C1 268945264 GMTXAKPNXJEBFF-KRWDZBQOSA-N 330.409 2.671 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)[C@H](C3CC3)N3CCCC3)cn12 275794411 HKSQSSMNGDXVOI-INIZCTEOSA-N 327.432 2.666 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)CC2=CCCCC2)nn1 276294975 IOSUCBVNBGDGNL-JKSUJKDBSA-N 346.475 2.996 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)[C@H](C)Cc1cccs1 170014869 GCEMPDAYLYMNEB-SECBINFHSA-N 343.426 2.599 0 50 EFAA CCCc1ccc(C(=O)CN2C(=O)N[C@](CC)(C3CC3)C2=O)cc1 170595561 UKEPBUGAHXWQSG-LJQANCHMSA-N 328.412 2.932 0 50 EFAA Cc1c(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cnn1C 170605320 RJKWYKWQPPCEFX-UHFFFAOYSA-N 341.333 2.898 0 50 EFAA CCc1ccc([C@@H](CNC(=O)N[C@@H]2COC(C)(C)C2)N(C)C)cc1 663449223 OJQDIDAHMNNOLT-DLBZAZTESA-N 333.476 2.718 0 50 EFAA C=CC(=O)N(CC)CC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 913741725 XRFBWASOAHDMHX-UHFFFAOYSA-N 348.399 2.974 0 50 EFAA Cc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(C)c1 1529133711 ANZHSEZJRDRDTJ-CEXWTWQISA-N 342.483 2.951 0 50 EFAA O=c1nc(O)c2ccc(-c3ccccc3O)nc2n1Cc1ccccc1 1848442643 DCCVLWBBFUDIMS-UHFFFAOYSA-N 345.358 2.918 0 50 EFAA COc1cc(F)ccc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772815765 VSUIHZUDTQQTHC-UHFFFAOYSA-N 337.354 2.973 0 50 EFAA COc1c(C)cc(C)cc1CN1CC(=O)N[C@@H](Cc2ccccc2)C1 1772708548 CAGHSZGAJMZSDK-IBGZPJMESA-N 338.451 2.855 0 50 EFAA COc1ccnc(C(=O)N2CCCN(Cc3sccc3C)CC2)c1 1775982665 CESHMZPKWKLUNB-UHFFFAOYSA-N 345.468 2.808 0 50 EFAA CCCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 11974940 ROKYHRNSKFBNAC-ZWKOTPCHSA-N 348.418 2.931 0 50 EFAA CCC(=O)c1ccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)cc1 16489180 UICDOCVLHLVQHL-IYBDPMFKSA-N 335.444 2.784 0 50 EFAA COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1C 16650828 WWZHITZEGPACPV-UHFFFAOYSA-N 348.424 2.506 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)NCc1nc(C)c(C)s1)CC(=O)N2 19731966 RZZJEGHHUZGYIT-ZDUSSCGKSA-N 345.424 2.511 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(F)cccc4C3)n[nH]c21 1857529288 JFLDTHPHDXVIEU-MNOVXSKESA-N 329.375 2.770 0 50 EFAA N=c1cc(-c2nccn2-c2cccc(C(=O)N3CCCCC3)c2)cc[nH]1 1857681454 KBWITUPPUGZUOU-UHFFFAOYSA-N 347.422 2.973 0 50 EFAA CN1CCC2(CC1)OCCc1sc(C(=O)NC3(C)CCC3)cc12 1857683809 YXJLWGOPABFDIZ-UHFFFAOYSA-N 334.485 2.914 0 50 EFAA Cn1c(SCC(N)=O)nnc1-c1sc2ccccc2c1Cl 107071 ASEKUPHTGVFDKO-UHFFFAOYSA-N 338.845 2.928 0 50 EFAA Brc1cccc2c1CN(c1ncnc3[nH]ncc13)CC2 301306053 YOPVKBSBINSIGI-UHFFFAOYSA-N 330.189 2.678 0 50 EFAA COc1ccc(CCN2C(=O)C[C@H](c3ccccc3)C2=O)cc1OC 101358192 ZBCPKNCJORIIQP-MRXNPFEDSA-N 339.391 2.789 0 50 EFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)c1csc(CN)n1 237171690 OYICACMWBRYYMZ-UHFFFAOYSA-N 345.346 2.773 0 50 EFAA NC[C@H]1CCCCN1C(=O)CCc1ccccc1OC(F)(F)F 237943589 BGZOHMZGCPRBGR-CYBMUJFWSA-N 330.350 2.858 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)CCc1ccc(Br)cc1F 238066747 UAPFPIGBHBADAM-GFCCVEGCSA-N 344.180 2.596 0 50 EFAA Cn1cncc1CCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 253430214 KCBUBABMINCQHW-MRXNPFEDSA-N 333.819 2.686 0 50 EFAA FC(F)(F)c1nnc2n1CCN(CCOc1cccc(Cl)c1)C2 157476562 HVDNVBIDSIGSRN-UHFFFAOYSA-N 346.740 2.845 0 50 EFAA Cn1cc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)c(C(=O)O)n1 905775290 MIIRIICBUCRABQ-IBGZPJMESA-N 339.395 2.559 0 50 EFAA NCCOc1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 843366414 SNRHBAJECWFGTK-MRXNPFEDSA-N 345.830 2.895 0 50 EFAA CCCc1nc(Cn2nc(C)c([C@H]3COCCN3C)c2C)cs1 852963149 WARLKJYIOWZAIF-OAHLLOKOSA-N 334.489 2.960 0 50 EFAA CN1C(=O)CN(C(=O)N[C@H]2CCc3ccccc32)Cc2ccccc21 857847326 YMACUHZNCUGVCT-KRWDZBQOSA-N 335.407 2.862 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)C12CCC(C(=O)O)(CC1)C2 863981875 QGMSZSPKZCGLPT-XYJCDUHRSA-N 347.411 2.614 0 50 EFAA Cc1csc2nc(/C=C/c3cn(C[C@@H]4CCCO4)nn3)nc(O)c12 865221598 HOPLGXWLUBRILR-ITKZLYELSA-N 343.412 2.646 0 50 EFAA C[C@@](O)(CNCc1cccnc1O)c1ccccc1Br 1875284993 YJHVAWSRIWOQID-OAHLLOKOSA-N 337.217 2.547 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Oc3ccncc3)cc2)cn1 1875380869 CNQCYWMMVNBBNY-MWTRTKDXSA-N 336.395 2.871 0 50 EFAA O=C1CCCN1[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)o2)C1 892466904 CMHHUCZQXMMFFM-AWEZNQCLSA-N 346.818 2.981 0 50 EFAA CCc1nc(N2CCC(COC)(C(=O)O)CC2)c2ccsc2n1 1776986729 LADLPSIURJJQDV-UHFFFAOYSA-N 335.429 2.571 0 50 EFAA Cc1cc(Br)ccc1OCCCN1CCN(C)CC1 20059624 NHBOHCXGKLDRMS-UHFFFAOYSA-N 327.266 2.774 0 50 EFAA O=C(NC1(C2CC2)CCOCC1)c1ccc(Br)cn1 372053522 ORHZQCGEWXOTSC-UHFFFAOYSA-N 325.206 2.533 0 50 EFAA Cn1cc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cn1 2100544946 CAIKTCQWVPTIOI-HXUWFJFHSA-N 338.455 2.577 0 50 EFAA CC(C)(CN)C1CCN(Cc2csc(-c3ncccn3)n2)CC1 2325765175 RTFAWKAYVJHFQH-UHFFFAOYSA-N 331.489 2.797 0 50 EFAA CCn1cc(CN2CCC3(CC2)C[C@H](C(=O)O)CO3)c(C(C)(C)C)n1 2325787786 WUCFHQGYDGRGFL-AWEZNQCLSA-N 349.475 2.656 0 50 EFAA C[C@H](CNC(=O)c1cnn(C)c1-c1ccc(F)cc1F)c1ncc[nH]1 2325859326 VMENWVOZCUFONT-SNVBAGLBSA-N 345.353 2.622 0 50 EFAA OCc1ccc(Sc2cn(C[C@H]3CC[C@H](C4CC4)O3)nn2)cc1 887470240 JIZKRGHKTZIAOP-GDBMZVCRSA-N 331.441 2.879 0 50 EFAA COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1cccc(F)c1 471360 AXJDBVXXXWZKIZ-UHFFFAOYSA-N 347.386 2.995 0 50 EFAA Cc1ccn([C@H](CC(=O)c2ccc(Br)cc2)C(=O)O)n1 818195 KWSRUFVZDZMRIZ-GFCCVEGCSA-N 337.173 2.853 0 50 EFAA COc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)CCC1=O 2866839 UMKYEPZJFVKYKX-UHFFFAOYSA-N 338.791 2.525 0 50 EFAA Cc1cc(Cl)ccc1OCCNC(=S)NC(=O)c1cccnc1 2987906 GUWKGIOTRJNXFH-UHFFFAOYSA-N 349.843 2.727 0 50 EFAA O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(Cl)cn1 4384620 HZFXICINLMWDAH-UHFFFAOYSA-N 338.816 2.679 0 50 EFAA Cc1cccc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 4839575 NIHOEBSJOJZSER-INIZCTEOSA-N 347.436 2.726 0 50 EFAA CN(C)c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 6709562 CYUQXMDIOQQENM-UHFFFAOYSA-N 327.403 2.854 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cn[nH]c4)C3)C2)c1 11879824 ZDVBPVLQERNGSR-FQEVSTJZSA-N 338.455 2.846 0 50 EFAA CC(C)(O)Cn1c(=O)n(C2CCCCC2)c2ccc(C(=O)O)cc21 55269872 JXPBXWYSZCHNNQ-UHFFFAOYSA-N 332.400 2.777 0 50 EFAA O[C@@]1(CNc2cc(N3CCCC3)ncn2)CCC[C@@H](C(F)(F)F)C1 225488608 XDUHDBZRTFMWRB-DOMZBBRYSA-N 344.381 2.972 0 50 EFAA CC(C)Cc1nnc(NCc2ccccc2N2CCO[C@H](C)C2)o1 414307911 ZJEXBJVEIWMMAS-CQSZACIVSA-N 330.432 3.105 0 50 EFAA COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCC23OCCO3)o1 225806658 FNEYOTWJMDUZPP-CABCVRRESA-N 335.400 2.633 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681298 WDCMMHZHAXGEAR-DDBAPUKQSA-N 341.386 2.929 0 50 EFAA O=C(NC1CCCCCC1)c1c(O)c2cccc3c2n(c1=O)CC3 100621197 QEQRUAAHKZNFBW-UHFFFAOYSA-N 326.396 2.716 0 50 EFAA CCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 20595133 NKRMEICCZYQWER-UHFFFAOYSA-N 330.259 2.960 0 50 EFAA Cc1ccc(C2(O)CCN(c3nc4ccccc4cc3CO)CC2)nc1 67967262 QOWQYYJZRAXBKQ-UHFFFAOYSA-N 349.434 2.919 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1F 20452121 JPHGAGROYYVGLI-GOSISDBHSA-N 344.430 2.600 0 50 EFAA COCc1nc(NCCc2ccccc2F)cc(C2CC(N)C2)n1 219297981 MJWBOXSDMQJBOR-UHFFFAOYSA-N 330.407 2.621 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1nc(C(C)C)no1 248149648 AWWSESHCNQPKRD-HZPDHXFCSA-N 348.491 2.991 0 50 EFAA CN1CCN(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1CCO 23360013 NMYICTCICSAGAL-FQEVSTJZSA-N 340.467 2.764 0 50 EFAA CS[C@@H](C)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 331176280 LIYIPKOEGATYRM-CMPLNLGQSA-N 327.450 2.528 0 50 EFAA CCCCc1ccc(NC(=O)CCN2CCC(C(N)=O)CC2)cc1 65406382 FEHNWUHAPOGDIX-UHFFFAOYSA-N 331.460 2.555 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)Nc2cc(-c3ccoc3C)on2)no1 328588910 YPCRKTYOFQOOBO-GFCCVEGCSA-N 343.343 3.303 0 50 EFAA CCc1ccc2occ(CC(=O)NCCN3CCCC[C@@H]3CO)c2c1 216080357 STLHAJXHDGSQLG-QGZVFWFLSA-N 344.455 2.501 0 50 EFAA COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cc(C)nc(C)c1 1362455184 ATOBFFHYRCCTRR-OAHLLOKOSA-N 334.803 2.824 0 50 EFAA CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1c1ccc(F)cc1 72126459 SBDGBKGKSGDLST-MRXNPFEDSA-N 328.453 2.634 0 50 EFAA CS(=O)(=O)CC1CCN(c2nc(C3CCCCC3)ns2)CC1 333770776 FIVFLMVUYWEBPP-UHFFFAOYSA-N 343.518 2.847 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1CC(=O)O)N1CCc2ccccc2C1 237516866 YWWAYPBZGYSLOM-AWEZNQCLSA-N 338.407 2.699 0 50 EFAA N[C@H]1CCC[C@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 237911425 WSFPXTJPJAVWOG-GJZGRUSLSA-N 326.444 2.786 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ncc[nH]2)CC1 72432116 LOKPJCNRFQOCCU-SFHVURJKSA-N 338.455 2.780 0 50 EFAA O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)o1 262748442 JDDCBMDXSIOLDZ-MLGOLLRUSA-N 347.342 2.695 0 50 EFAA Nc1nc(CCC(=O)N2CCO[C@H](CC3CCCCC3)C2)cs1 71767807 UHYLMRABBFLUGZ-OAHLLOKOSA-N 337.489 2.856 0 50 EFAA Cc1ncc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 77376684 ANPIGIMMJCTZCV-MRXNPFEDSA-N 329.375 2.514 0 50 EFAA O=C(Cn1ccccc1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71439588 IMZUTKMURYDAHB-QGZVFWFLSA-N 342.414 2.859 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)nc2ncnn12 216088515 RHPFRBOVGWAESP-AWEZNQCLSA-N 337.427 2.999 0 50 EFAA CC(C)(C)c1nc(C(=O)NCCc2nc(C(=O)O)cs2)cs1 262910467 DMQUBXCJNLZYCH-UHFFFAOYSA-N 339.442 2.568 0 50 EFAA CS[C@@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 172759751 VMRMMKYAVQNYRD-DOTOQJQBSA-N 344.484 2.609 0 50 EFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N(C[C@H]1CCOC1)C1CC1 130653801 DPMGAGZJBXQUGO-MLGOLLRUSA-N 346.452 2.517 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C(=O)O)c1ccc(Cl)cc1 263125059 FFMZAUJQGMPYKV-RFAUZJTJSA-N 349.818 2.736 0 50 EFAA CCc1c(C)nn(CCNC(=O)CCn2cnc3ccccc32)c1C 220334322 ABGBLOOVBNUGDU-UHFFFAOYSA-N 339.443 2.619 0 50 EFAA COc1cccc(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 222282473 HGYJRAUMTVATSY-GDBMZVCRSA-N 337.391 2.538 0 50 EFAA COC[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc(C)o1 175702926 ICMRALYREAYIJV-UONOGXRCSA-N 332.404 2.935 0 50 EFAA CSC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OCCN)C1 426746103 NGPJCZHOXXCRSN-LBPRGKRZSA-N 342.892 2.893 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2nc[nH]n2)cc1 97756306 ZYAQSASUIPZBIS-HNNXBMFYSA-N 338.415 2.513 0 50 EFAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)C2(c3ccccc3)CCCC2)C1 91893706 MJGNYTCPEZRDGR-MSOLQXFVSA-N 344.499 2.517 0 50 EFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CC(c2cccnc2)C1 95522554 IOCJDPVAMHZPKF-MRXNPFEDSA-N 325.412 2.513 0 50 EFAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCCC[C@H]1C(=O)O 237662589 GMMTWMGHVCAQIO-LBPRGKRZSA-N 334.397 2.720 0 50 EFAA CO[C@@H](CNC(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1cccc(Cl)c1 291119935 VODQZFZIPMWLTQ-TUUVXOQKSA-N 338.835 2.582 0 50 EFAA CCCCN(C(=O)c1ccc(C(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 291205591 GMKSVMVXJCNJPA-OAHLLOKOSA-N 338.473 2.634 0 50 EFAA CCCN(Cc1ccncc1)C(=O)c1cnc(-c2ccccn2)nc1O 91441226 WHVDWGLAUOVQNL-UHFFFAOYSA-N 349.394 2.692 0 50 EFAA COCc1cc(CN2CCC[C@H](Cn3ccnc3)C2)ccc1OC 97515011 XDAQBUJIHJEPCK-KRWDZBQOSA-N 329.444 2.950 0 50 EFAA C[C@@H]1CN(C[C@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@@H](C)O1 244707953 KKRWOUUXIGLYBX-FEFVAOQBSA-N 325.493 2.688 0 50 EFAA C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1F 298987647 QUTUNOFNYNAUKO-GLZQIGESSA-N 332.350 2.983 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1n[nH]c2c1CCCC2 607345266 VSIFMQKTFMOZNK-KRWDZBQOSA-N 335.411 2.656 0 50 EFAA COc1ncccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 299427251 AFJRUZUJQWCAGU-CQSZACIVSA-N 345.468 2.794 0 50 EFAA C[C@H]1CCC[C@H](C)C1NCC(=O)Nc1cccc(C(=O)N(C)C)c1 182956447 OXBPLIYSLFQSGY-KBPBESRZSA-N 331.460 2.741 0 50 EFAA CCc1nc(CCNC2CCN(C(=O)c3ccccn3)CC2)cs1 534635774 AAFIGLKSQTZCOE-UHFFFAOYSA-N 344.484 2.537 0 50 EFAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1nc2ccccn2n1 184429727 ZUYIOSLQHBZXBT-CYBMUJFWSA-N 336.399 2.602 0 50 EFAA Cc1cnc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)cn1 299776877 HSZHXVFJOPISID-OTWHNJEPSA-N 336.439 2.627 0 50 EFAA CCOC(=O)c1cc(NC(=O)NC2CCOCC2)ccc1Cl 299782581 TYJDWVMPNRACTA-UHFFFAOYSA-N 326.780 2.817 0 50 EFAA COC[C@H]1[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)[C@H]2CCO[C@H]21 1074635471 USUHBSWSCMKRNN-LTCOOKNTSA-N 343.379 2.852 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)CN1CCCN(C)CC1 952871839 DQRRBKUAWWCBEU-UHFFFAOYSA-N 339.867 2.705 0 50 EFAA O=c1oc2ccccc2n1CCNCCOc1cccc2cccnc12 952860088 DJRVGDWHWKJLNK-UHFFFAOYSA-N 349.390 2.811 0 50 EFAA CN(C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2)c1ccccc1 1565516844 KEEYSSFHTBEQDF-QAPCUYQASA-N 341.455 2.966 0 50 EFAA Cc1c(N(C)Cc2ccncc2)nn2c(C(F)(F)F)nnc2c1C 268631231 OQGUUQDNOYLUDE-UHFFFAOYSA-N 336.321 2.791 0 50 EFAA C[C@H](NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cnn(C)c1 269966163 RFDCNMSPQLYJTA-HDMKZQKVSA-N 342.443 2.948 0 50 EFAA CN1CC(=O)N(Cc2cccc3c(Br)cccc23)C1=O 408514671 XECPOJJXNDGISP-UHFFFAOYSA-N 333.185 2.996 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 165501247 QCZJYPNSSNWIDP-AWEZNQCLSA-N 341.367 2.551 0 50 EFAA C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CCO1 272076450 MCNQHJUCUYGSJC-QRQLOZEOSA-N 330.472 2.925 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)ccc1F 273311885 XVVZCRYLYWVVKG-CRAIPNDOSA-N 349.406 2.607 0 50 EFAA COCc1ncc(-c2noc(CSc3ccc(C)cc3)n2)c(N)n1 274097644 WOWZYDQLYMDMDO-UHFFFAOYSA-N 343.412 2.856 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 189727408 GUSIVTVEDOYLAA-CZUORRHYSA-N 328.420 2.747 0 50 EFAA CCCn1c(C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc2ccccc21 191664097 MXEYSOIWGSMFGP-OAHLLOKOSA-N 327.428 2.790 0 50 EFAA Cc1[nH]c2ccc(C(=O)N(C)CCN3C[C@H](C)O[C@H](C)C3)cc2c1C 194766858 JJJPLGLDRWFMKC-OKILXGFUSA-N 343.471 2.966 0 50 EFAA O=C(c1cnc(O)c(Cl)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 1506417802 OWPPPBYOVYYBEV-AWEZNQCLSA-N 347.802 2.657 0 50 EFAA CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529173754 PGLJEUIVFNIDLW-MPZDIEGVSA-N 328.334 2.722 0 50 EFAA COc1ccc(CNC(=S)NC(=O)OC(C)(C)C)c(OC)c1 148370657 YKASBVOVVBVBDX-UHFFFAOYSA-N 326.418 2.603 0 50 EFAA CCn1ccnc1CN[C@H]1CCCc2nc(-c3cccnc3)ncc21 12446151 NTGFTMPBQPYXGU-INIZCTEOSA-N 334.427 2.922 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@](CO)(CCc2ccccc2)C1 12469675 MDCQDSHYOIEJMM-SFHVURJKSA-N 345.468 2.694 0 50 EFAA C[C@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 13746704 KZGUSOORCRPXRT-DVOMOZLQSA-N 336.457 2.702 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16362211 JCGZBCWIYGMUFL-CQSZACIVSA-N 338.473 2.729 0 50 EFAA O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668790 ZZMVLJVIQJVTNA-XHDPSFHLSA-N 344.333 2.568 0 50 EFAA O[C@H](Cn1ccnc1-c1ccnn1-c1ccccc1)c1cccnc1 1857681653 BIDNBGFFUQYWCO-GOSISDBHSA-N 331.379 2.864 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)CCCCc2ccccc2)CC12CCOCC2 1857682041 GQVPQAQGJCOPSV-KRWDZBQOSA-N 345.439 2.739 0 50 EFAA Cc1c([C@H](NC(=O)N2CCNC(=O)CC2)C(C)C)oc2ccccc12 112217334 WEAGYSTUJQJEAF-QGZVFWFLSA-N 343.427 2.970 0 50 EFAA O=C(O)c1cc(Cl)cc(NC(=O)[C@@H]2COc3ccccc3O2)c1 322595266 KWCDQVSIEMYTAZ-AWEZNQCLSA-N 333.727 2.817 0 50 EFAA COC(=O)c1cnoc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 241644582 PRWQWKQBLXMIOZ-OAHLLOKOSA-N 329.400 2.562 0 50 EFAA COc1cccc([C@@H](NC(=O)c2cc(C(C)(C)C)on2)C(=O)O)c1 659173150 BNSZRBSFWLOWMH-CQSZACIVSA-N 332.356 2.536 0 50 EFAA CCn1cc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)cn1 362014291 SHVDZVJDUSTOHP-UHFFFAOYSA-N 345.443 2.530 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CN)c2cnn(C(C)C)c2n1 156600326 AXUQRLNYLJKRMR-LRDDRELGSA-N 329.448 2.520 0 50 EFAA O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)c1cccc(-c2ccoc2)c1 262768248 LATWGGRJGZHJOG-HOTGVXAUSA-N 329.352 2.556 0 50 EFAA C=CC(=O)N(CC)CC(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 900842626 KFLDRCPXDBHSOS-UHFFFAOYSA-N 348.399 2.974 0 50 EFAA CC(C)N(C(=O)C[C@H]1CC(=O)Nc2ccccc21)C1CCOCC1 903530757 CAORSFSIVRBHQK-CQSZACIVSA-N 330.428 2.919 0 50 EFAA CC(C)CN(CCc1ccccc1)C(=O)C[C@H]1C=CS(=O)(=O)C1 914507891 LIGJWFDQLCYBSE-QGZVFWFLSA-N 335.469 2.662 0 50 EFAA C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H]1COCCO1 818026842 YXONFHAWRPZPMS-DNVCBOLYSA-N 344.455 2.760 0 50 EFAA O=C(Nc1n[nH]cc1C1CC1)c1nc(C2CC2)ncc1Br 823473784 GCDRVXXCFIRQOD-UHFFFAOYSA-N 348.204 2.969 0 50 EFAA C[C@@H](NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(CO)on1 925097955 SFQLJAWTLKHVDO-CLAHSXSESA-N 331.199 2.858 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NCc1nnc(-c2cccc(Cl)c2)o1 933288244 GSSMMXXTFWLPAL-AWEZNQCLSA-N 348.834 2.784 0 50 EFAA Cc1ccc(CC(=O)N2CCC(Cn3cncn3)CC2)cc1Cl 935489387 NKDCRMZPJUFJHA-UHFFFAOYSA-N 332.835 2.721 0 50 EFAA CCOC(=O)CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CO 864094289 PHHCBZLUDSIPON-VIFPVBQESA-N 345.321 2.583 0 50 EFAA Cc1nnc(C(=O)NCCc2ccc(Br)cc2Cl)o1 1875281854 AQWDEQPLXCONTN-UHFFFAOYSA-N 344.596 2.766 0 50 EFAA CC(C)[C@@H]1C[C@H](CNC(=O)C[C@H]2C=CS(=O)(=O)C2)c2ccccc21 1875296382 TYSAXIQDXDHREV-RKVPGOIHSA-N 347.480 2.978 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@@H]3CCc4c[nH]nc4C3)[C@H]2C1 1875275070 UQYVSKYIMFDZTQ-FZKCQIBNSA-N 346.475 2.502 0 50 EFAA COCCn1nc2c(c1C(=O)N1CCCC3(CC3)C1)C[C@H](C)O[C@@H]2C 1875314683 MFAGGHPPVDNQHY-UONOGXRCSA-N 347.459 2.568 0 50 EFAA COc1cccc2c1CC[C@@H](N[C@H]1CCO[C@@H]1c1cn(C)nc1C)C2 886068590 MCZLHAQPTBJEAR-MOXGXCLJSA-N 341.455 2.714 0 50 EFAA O=C(CCc1cccc(Cl)c1)NC1(c2ncccn2)CCOCC1 886936252 QKYGZOLDQLLDIV-UHFFFAOYSA-N 345.830 2.885 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnn(-c3ccc(F)cc3)c2)C1 888079222 MIJMNNLGJBKLLP-IAGOWNOFSA-N 341.390 2.697 0 50 EFAA O=C(CC[C@@H]1CCCOC1)N[C@H](Cn1ccnc1)c1ccccc1 2325761459 MVBXDSRXFNYDGM-FUHWJXTLSA-N 327.428 2.947 0 50 EFAA CC1(C)CO[C@@H](CC(=O)O)CN1Cc1cc(-c2ccccc2)no1 2325787953 DJARKNBSSIRXMW-AWEZNQCLSA-N 330.384 2.796 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)CC3CC(CN)C3)CC2)c1 2325797768 SWLCMRVXYLSBSU-UHFFFAOYSA-N 333.451 2.594 0 50 EFAA CC[C@@H]1C[C@H](Cc2nc(CC(=O)Nc3ccccc3)no2)CCO1 241739087 QZVQEJKLAOIVKC-UKRRQHHQSA-N 329.400 2.999 0 50 EFAA CC(C)COC[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 245344015 WYGCTLZKDDREAU-GVDBMIGSSA-N 338.492 2.593 0 50 EFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(C(=O)O)c1 108926 ZPEIYPUOQMCHAO-AWEZNQCLSA-N 342.376 2.826 0 50 EFAA CCOC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 209738 OPFMXCUBPAGBSO-UHFFFAOYSA-N 336.273 2.987 0 50 EFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2ccccc21 563052 TZZBYEXCCMADLX-UHFFFAOYSA-N 342.782 2.655 0 50 EFAA 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935648187 VBPKNFQDVVLVQQ-UHFFFAOYSA-N 347.422 2.666 0 50 EFAA C[C@H](Nc1ncnc2c1nnn2C1CC1)c1cccc(-n2ccnc2)c1 1875275403 LVZVOWWWCYLZAA-LBPRGKRZSA-N 346.398 2.915 0 50 EFAA CC(C)(NC(=O)c1cnn(CCO)c1)c1cccc(C(F)(F)F)c1 1875278409 XIWRCHYCUCMCLG-UHFFFAOYSA-N 341.333 2.559 0 50 EFAA Cc1nn(C(F)F)c(C)c1NC(=O)c1ccc(OCC(=O)O)cc1 1875267236 BIGICZRHTAERBY-UHFFFAOYSA-N 339.298 2.611 0 50 EFAA Cc1cnccc1[C@H](C)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1875285791 ZIMRIGJMLPVBLK-AWEZNQCLSA-N 339.505 2.633 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3CC4(C3)CC4(F)F)n[nH]c21 1875396447 HQTBKEMWBQLLOV-HLXFJQQRSA-N 325.359 2.597 0 50 EFAA O=C(c1coc2c1CSC2)N1C[C@@H](Cn2cnnc2)C2(CCC2)C1 1875310569 UWASQODJFLPYKB-GFCCVEGCSA-N 344.440 2.560 0 50 EFAA CS[C@H]1CCC[C@H](NC(=O)C2(Oc3ccccc3)CCNCC2)C1 1875391419 OCUUTQHTSNFLHO-RDJZCZTQSA-N 348.512 2.978 0 50 EFAA CCN1CCO[C@@H](CN[C@@H](C)c2cc(C)c(C)o2)[C@@H]1c1nccn1C 886085184 FHQWXYIOAXVQEK-JCGIZDLHSA-N 346.475 2.743 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)CCc2cccc(F)c2F)nn1 888078687 LVOACHZNLXVXKV-AWEZNQCLSA-N 332.354 2.633 0 50 EFAA NC(=O)c1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)s1 2325720877 SEQOIMIZVSENRH-OAHLLOKOSA-N 330.453 2.681 0 50 EFAA C[C@]1(O)CCC[C@@H]1NC(=O)CCn1c(C2CC2)nc2ccccc21 2325770101 CMICLBAGDXWGEQ-LPHOPBHVSA-N 327.428 2.724 0 50 EFAA Cc1cccc2c(CCNCc3c(Br)nnn3C)c[nH]c12 2325774035 VJKZMCTYOJMIGR-UHFFFAOYSA-N 348.248 2.700 0 50 EFAA CN(Cc1ccnc2ccccc12)C(=O)c1cnn2ccc(CN)cc12 2325856094 ANIWAIVQDRWQLO-UHFFFAOYSA-N 345.406 2.613 0 50 EFAA COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O 1412 KLAOKWJLUQKWIF-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro Cc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 389218 DOTGVMLRGVTVPN-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 422163 SSXMEXIAHLCFIC-UHFFFAOYSA-N 325.397 2.702 0 50 EFAA Cc1noc(C)c1CCC(=O)N1Cc2nnc(C)n2[C@@H](CC(C)C)C1 2356144538 CBGHJOYFGVWKPN-HNNXBMFYSA-N 345.447 2.754 0 50 EFAA Cc1ccccc1S(=O)(=O)N1CC2(COc3ccccc3C2)C1 2356158397 ILLWDKBYTSHSMA-UHFFFAOYSA-N 329.421 2.621 0 50 EFAA CC(C)C[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O 4017725 IZXCDEWWKJGNOS-ZDUSSCGKSA-N 343.408 2.793 0 50 EFAA Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12 4121104 CLBNIMBTCCNZAI-UHFFFAOYSA-N 333.800 2.648 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1 6739353 JKANHWPPXWFANN-UHFFFAOYSA-N 343.452 2.996 0 50 EFAA CC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2ccc(C)cc21 10157744 KXYHIVOIVOLDNF-UHFFFAOYSA-N 343.456 2.839 0 50 EFAA CN(C)c1c(Cl)cccc1NS(=O)(=O)C[C@H]1CCCCO1 110097364 GKHHBWJNZIOXNB-LLVKDONJSA-N 332.853 2.717 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)[C@H]1CCc2ccccc2NC1=O 225399482 KUCAKWXJMOYWIK-INIZCTEOSA-N 349.394 2.517 0 50 EFAA O=C1NCCN1CCNCc1ccc(-c2ccc(Cl)cc2F)o1 55271300 SGPHNYPTMAZVDO-UHFFFAOYSA-N 337.782 2.854 0 50 EFAA O=C(c1cccc2c1OCCO2)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225540969 NHZQFIXILWQXMI-ZBFHGGJFSA-N 343.354 2.545 0 50 EFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2onc3ccccc23)s1 20208429 FNUFZYVGZRHAAX-LBPRGKRZSA-N 341.392 2.966 0 50 EFAA CCOc1ccc(CN2CCN(C3CCCC3)C[C@H]2CCO)cc1 104555174 JSWLOTNLJLCIRE-LJQANCHMSA-N 332.488 2.897 0 50 EFAA O[C@H](CN1CCc2sccc2[C@H]1c1ccccc1)Cn1cccn1 247756933 DUWKZFARSMPKLT-VQIMIIECSA-N 339.464 2.953 0 50 EFAA C[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248082849 ASVOGEQNJXZOCL-BHIYHBOVSA-N 330.472 2.925 0 50 EFAA O=C(N[C@@H](CO)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1 65388164 HPJGLYSKTXLQCV-SFHVURJKSA-N 338.407 2.889 0 50 EFAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 67603977 NUDIMZZRDQBLAK-MRXNPFEDSA-N 338.455 2.973 0 50 EFAA O=C(NCCN1CCCC1)c1ccc(Cl)c(Br)c1 228975680 PGAXNESBNTWWKD-UHFFFAOYSA-N 331.641 2.928 0 50 EFAA COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583289 YFWAFELGMGZCHL-KRWDZBQOSA-N 341.363 2.625 0 50 EFAA biogenic C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 119531240 VCPUAYYOKFHAGQ-UKRRQHHQSA-N 344.386 2.628 0 50 EFAA O=C(c1ccnc(O)c1)N1CCC[C@H](OCc2ccccc2F)C1 328588812 QPBVEKHGKBJUHX-HNNXBMFYSA-N 330.359 2.748 0 50 EFAA CS(=O)(=O)NC1CCN(Cc2ccc(C3CCCC3)s2)CC1 216090630 VIGNQJXTHZKMLI-UHFFFAOYSA-N 342.530 2.919 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2c2ccnc(C3CC3)n2)n1C 328620944 HLMKMDNZXIDYNE-HNNXBMFYSA-N 339.443 2.784 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 328608665 AWZZOMCKKWEBER-ZGMNHVEMSA-N 345.374 2.609 0 50 EFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(ccn2C)c1 213099365 BWHSEISKCIAFGJ-QGZVFWFLSA-N 336.391 2.692 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)CC1=CCCCC1 328637825 OWBQVZXMMYZGJY-ROUUACIJSA-N 346.450 2.738 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3Cn3cccn3)cc2)n1 77323238 OVZWUUPYMFDFQD-IBGZPJMESA-N 349.438 2.990 0 50 EFAA COc1ccc(CN2CCC3(CCOCC3)CC2)cc1OCC(=O)O 215289826 IILDGNCCJVQQOU-UHFFFAOYSA-N 349.427 2.551 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cc1ccccc1F 328622209 IGMYKXVOBLPMQX-PXNSSMCTSA-N 341.430 2.915 0 50 EFAA CN1CCC[C@H](CNC(=O)CCc2cnn(C)c2)[C@H]1c1cccs1 253419156 KAURBZDLHIRLQL-QAPCUYQASA-N 346.500 2.614 0 50 EFAA O[C@@H]1c2ccccc2C[C@H]1NCc1ccc(Cl)cc1-n1cncn1 253428870 NHBSXBXMSVEJDM-SJLPKXTDSA-N 340.814 2.669 0 50 EFAA Cc1nc2cc(C(=O)NCCn3cccn3)ccc2n1-c1ccccc1 215041494 PRZFYAIWYWZIJW-UHFFFAOYSA-N 345.406 2.960 0 50 EFAA O=C(CN1CCN(c2ccccc2)C(=O)C1)Nc1ccc(Cl)cc1 360633499 MIRGCOBAOBOHPP-UHFFFAOYSA-N 343.814 2.627 0 50 EFAA CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)C(=O)c1ccco1 219910507 QOLKTXUAYUJZEJ-UHFFFAOYSA-N 329.331 2.569 0 50 EFAA O[C@]1(CN2CCCCC2)CCN(Cc2cccc(OC(F)F)c2)C1 77406821 PDLDVDNQUHMSPR-SFHVURJKSA-N 340.414 2.711 0 50 EFAA CN1CCCC[C@@H]1CC(=O)N(CCCO)Cc1ccc(Cl)cc1 215069299 XWXXWNINWKXQHS-QGZVFWFLSA-N 338.879 2.925 0 50 EFAA O=C(CC1(C(=O)N[C@H]2C=CCCC2)CCOCC1)N[C@H]1C=CCCC1 332964473 KQICHNMOWKYCMX-IRXDYDNUSA-N 346.471 2.623 0 50 EFAA CC(C)[C@@H](C(=O)Nc1ccc2nc(S)oc2c1)N1CCCC1=O 158367307 GGKZUOWABODEMM-AWEZNQCLSA-N 333.413 2.702 0 50 EFAA Cc1nc(S(=O)(=O)N[C@H]2CCOc3c(F)cccc32)sc1C 333075884 LARNFGJJHFWHIC-LBPRGKRZSA-N 342.417 2.701 0 50 EFAA C[C@@H]1CN(C(=O)Cc2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)C[C@@H](C)O1 333203649 OFAGXSMWGQAJDG-RRCSTGOVSA-N 347.459 2.932 0 50 EFAA O=C(N[C@H]1CCc2n[nH]cc2C1)c1nc2ccccc2nc1C1CC1 449893175 VHSVQRKPTKZOLM-ZDUSSCGKSA-N 333.395 2.518 0 50 EFAA COC(=O)[C@]1(C)CN(CCC(=O)Nc2ccccc2Cl)C[C@H]1C 282891119 WHGRVWUAASKCLF-SJKOYZFVSA-N 338.835 2.800 0 50 EFAA C[C@H]1CN(C(=O)c2nc(-c3ccccc3)cs2)CC[S@](=O)C1 283744454 HMKWNMXQRAZDHS-YTEVENLXSA-N 334.466 2.651 0 50 EFAA O=C1CC23CCC45CC(=O)CC4(CCC2(C1)CC(=O)C3)CC(=O)C5 43198695 GMFWPZPIFKRGSC-UHFFFAOYSA-N 328.408 2.958 0 50 EFAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 82109033 KUYIYMCIHQRZEQ-QGZVFWFLSA-N 345.443 2.784 0 50 EFAA CO[C@H](C(=O)N1CCC(Oc2cccnc2)CC1)c1ccccc1 220426555 DWOYKFRVEVWZNA-SFHVURJKSA-N 326.396 2.839 0 50 EFAA COc1cccc(OC2CN(C(=O)CCc3scnc3C)C2)c1 82107657 UBXGAHXBGVAXJO-UHFFFAOYSA-N 332.425 2.683 0 50 EFAA Cn1cnc(-c2ccc(NC(=O)CCCc3nccs3)cc2)n1 225806477 REYZWOVURXKQMF-UHFFFAOYSA-N 327.413 2.900 0 50 EFAA CC(C)c1cc(C(=O)NCCNC(=O)c2ccccc2Cl)no1 82106179 VFAXNGZCNXXDGJ-UHFFFAOYSA-N 335.791 2.611 0 50 EFAA FC(F)(F)Cc1nnc([C@@H]2CCCCN2Cc2cncnc2)o1 286319551 PYKQZUQTVMJWEQ-NSHDSACASA-N 327.310 2.692 0 50 EFAA CN(Cc1cnc2ccccn12)C(=O)[C@H]1CCOc2ccccc2C1 95531808 WKDIWNMKSXQRCQ-INIZCTEOSA-N 335.407 2.934 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)[nH]n2)o1 91536432 XCPKTZIUUBVCCH-GFCCVEGCSA-N 339.351 2.548 0 50 EFAA Cc1ccc(O)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c1 92047052 DKVAODKARXWFJN-JKSUJKDBSA-N 343.354 2.780 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2C(c3cccnc3)=CC[C@H]1N2C(=O)c1ccccc1 95627573 BSSDKXJANAMJIC-KZNAEPCWSA-N 334.375 2.853 0 50 EFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CC[C@@H]1CCCO1 238140163 KJWKGISSSZTKAJ-ZDUSSCGKSA-N 341.354 2.727 0 50 EFAA COc1c(CN(C)Cc2nc(-c3ccccc3)c[nH]2)c(C)nn1C 291418031 HJUPYQHJKXSNTI-UHFFFAOYSA-N 325.416 2.759 0 50 EFAA CC(C)Cc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)on1 91782316 ROLXTOMAYNYEHD-UHFFFAOYSA-N 342.443 2.663 0 50 EFAA CN(C(=O)c1csc(Cc2ccccc2F)n1)C1CCNCC1 237116523 SGVCGQHLRWGXOI-UHFFFAOYSA-N 333.432 2.697 0 50 EFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cn2cccnc2n1 97475502 NEWXTYXXXDMKTH-ZDUSSCGKSA-N 346.394 2.953 0 50 EFAA O=C(c1ncc(F)cc1F)N1CCC(OCc2cccnc2)CC1 91625755 CIWRLIWAKRUPQU-UHFFFAOYSA-N 333.338 2.576 0 50 EFAA CCCn1cc(C(=O)N(C)Cc2ccc3nsnc3c2)c(C)n1 91952305 MRGDBWGYVWNFPP-UHFFFAOYSA-N 329.429 2.878 0 50 EFAA COC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)N1 247827841 KAZMRFPFSQRNLR-IHRRRGAJSA-N 339.819 2.874 0 50 EFAA CC[C@H](C)[C@H](CO)NC(=O)[C@@H]([C@H](C)CC)N1Cc2ccccc2C1=O 252587251 WRCHTUFSIMGECA-IHETXDGRSA-N 346.471 2.580 0 50 EFAA biogenic CN(C)c1ccncc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 183905936 UFAVABCMHARYGF-IBGZPJMESA-N 325.412 2.535 0 50 EFAA CC(C)[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1 263586991 ARLWCNQSMGWGDZ-MRXNPFEDSA-N 326.400 2.514 0 50 EFAA CCCCN1CCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 534663269 HVRRIYALRGFZKY-OAHLLOKOSA-N 349.475 2.892 0 50 EFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N1CCCC[C@@H]1CO 299776836 DMBNUUQHHCHMEZ-MRXNPFEDSA-N 346.406 2.758 0 50 EFAA CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1nc2ccc(C)cc2[nH]1 822650323 DCRBFUAAVCCDDC-LBPRGKRZSA-N 348.428 2.906 0 50 EFAA COCc1nc([C@@H]2CCCCCN2C)n(-c2ccccc2C(=O)O)n1 670474204 OPSRMBXDBTWEEE-HNNXBMFYSA-N 344.415 2.659 0 50 EFAA CC1(CNC(=O)N2CCC([C@H](F)C(N)=O)CC2)CCCCCC1 685943290 KOPPYPUGMAWOLX-AWEZNQCLSA-N 327.444 2.592 0 50 EFAA C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C3CC3)c2)CS1(=O)=O 685940236 YPSKMSCVCWERKG-GXFFZTMASA-N 340.420 2.790 0 50 EFAA Cc1c(NC(=O)c2cc(CC(C)C)[nH]n2)cccc1C(=O)N(C)C 952991893 UOGMOSUOXMGXDL-UHFFFAOYSA-N 328.416 2.871 0 50 EFAA CC(C)(CNCc1csc(-c2cnccn2)n1)CN1CCCC1 952987774 GJZVTEORWYFGDW-UHFFFAOYSA-N 331.489 2.812 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 165418684 UFUQQRPEXNATBG-ZDUSSCGKSA-N 326.352 2.811 0 50 EFAA Cc1nc2c(c(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n1)CCCC2 272815938 DGPONJGJIITREA-ZDUSSCGKSA-N 332.448 2.767 0 50 EFAA Cc1cnccc1CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 187508413 NIGOGBKGJGBXAV-CQSZACIVSA-N 346.381 2.746 0 50 EFAA O=C(O)C[C@@H](NC(=O)Cc1ccn(-c2ccccc2)n1)c1ccccc1 170047844 QFOLWZFBRHPFFR-GOSISDBHSA-N 349.390 2.747 0 50 EFAA Cc1nn(-c2ccccc2)cc1CN[C@@H](Cc1ccccc1)C(=O)O 170090780 OMEFOAFMTGXHIB-IBGZPJMESA-N 335.407 2.966 0 50 EFAA CCN(C)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 170606552 KUUYYGVEPCQOHC-LBPRGKRZSA-N 336.379 2.511 0 50 EFAA CN(C)c1noc([C@@H]2CCCN2c2nc(-c3ccccc3)ns2)n1 170619629 DHTIWOGKFKQBHY-LBPRGKRZSA-N 342.428 2.996 0 50 EFAA COC(=O)[C@H]1CCN(C(=O)NCCc2c(C)cccc2C)C[C@@H]1C 191165080 MAJNLBHCRIKKHX-RDJZCZTQSA-N 332.444 2.687 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)CCc1ccco1 645440177 YQHHLHNBGCXQII-NSHDSACASA-N 327.377 2.727 0 50 EFAA CC[C@H]1CN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CCO1 193011385 MADGHXOASIYYCK-INIZCTEOSA-N 331.416 2.846 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 193677816 CLKMXZAQQRBFOT-OAHLLOKOSA-N 335.448 2.723 0 50 EFAA CCn1ncnc1[C@@H](C)NC1CCN(c2ccc(F)c(F)c2)CC1 1506423707 ZFDDTAGLEFGSMC-GFCCVEGCSA-N 335.402 2.896 0 50 EFAA FC(F)Oc1ccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1529152241 QPXADBATQFAWJN-NVXWUHKLSA-N 338.398 2.583 0 50 EFAA C[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccc(Br)s1 237457423 JVEWFJLSUYUOAD-HTQZYQBOSA-N 332.219 2.547 0 50 EFAA CN(Cc1cnn(C)c1)CC1CCN(CCc2ccc(F)cc2)CC1 12570280 TWUZNMSRLRNQNU-UHFFFAOYSA-N 344.478 2.946 0 50 EFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccs2)NC(=S)N1 13497300 OTBKUZGIJRQXGG-HNNXBMFYSA-N 343.477 2.857 0 50 EFAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 169752333 PSTBTKUKUONHQB-HNNXBMFYSA-N 338.411 2.777 0 50 EFAA COc1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669095 UHRFCNQHTPUVGL-BLLLJJGKSA-N 346.254 2.833 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1ccccc1-c1nc[nH]n1 1857671164 ONJXCAUDGDNYSC-UHFFFAOYSA-N 346.394 2.594 0 50 EFAA O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[C@H](O)C1 225488109 OXVZOMWTRSLYDS-STQMWFEESA-N 331.334 2.795 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc(O)n1 121645309 PNQHIKFLQYCCME-HNNXBMFYSA-N 327.384 2.599 0 50 EFAA COC(=O)[C@@H](Cc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2C 125621348 XKBQITQGORUCSL-QGZVFWFLSA-N 338.407 2.792 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 237997093 OFBKPBHRWYVUGQ-MRXNPFEDSA-N 347.317 2.877 0 50 EFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 129712777 ARRXOSGGGLCADA-ZBAXXZLZSA-N 344.333 2.918 0 50 EFAA C[C@@H](O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 338758707 TYRSXGJCKRYJCE-QPSMHIGASA-N 336.863 2.751 0 50 EFAA O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(OC(F)F)cn1 356825465 MZUMQBISTARDGS-ZDUSSCGKSA-N 342.729 2.800 0 50 EFAA COC[C@H]1CCCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 375124765 LJDUUADTPUERGZ-HNNXBMFYSA-N 330.428 2.702 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2cccc([C@@H](C)C(=O)O)c2)n1 263322468 NUPVBEYQUCRZPC-LLVKDONJSA-N 331.372 2.952 0 50 EFAA CN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C1CC1 906084971 YHEXZIJCMGMMEN-LJQANCHMSA-N 334.419 2.875 0 50 EFAA C[C@H](NC(=O)Cn1ccc(C(=O)O)n1)c1csc(C(F)(F)F)c1 908045214 WGXUSGFXXLCPAT-ZETCQYMHSA-N 347.318 2.539 0 50 EFAA Cn1c2ccccc2n2c(SCc3noc4c3COCC4)nnc12 917179658 UGHLTPBFNHIRFT-UHFFFAOYSA-N 341.396 2.574 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(OCC(=O)O)cc2)Cc2ccccc21 852952449 YFNJXQRBTULWJK-ZDUSSCGKSA-N 325.364 2.910 0 50 EFAA CC(C)(C)OC(=O)N1CC(CCc2nc(-c3ccncc3)no2)C1 863450732 OYYYLYNZYICOFU-UHFFFAOYSA-N 330.388 2.931 0 50 EFAA CC[C@H](c1ccccc1)N1CCN(C(=O)c2nc[nH]c3nccc2-3)CC1 949108976 VLJIOLKEXOHTDP-QGZVFWFLSA-N 349.438 2.819 0 50 EFAA Cc1cccc(C)c1OC[C@@H](O)CN[C@H]1CCCC2(CC1)OCCO2 1875275686 UWVHULMFGCEBDV-ROUUACIJSA-N 349.471 2.709 0 50 EFAA O=C1CCCN1[C@@H]1CCCN(c2ncc(Oc3ccccc3)cn2)C1 1875275388 IIRBTUYMSRLDBO-OAHLLOKOSA-N 338.411 2.860 0 50 EFAA C[C@@]1(NC(=O)c2csc(Cc3ccc(F)cc3)n2)CCC[C@@H]1O 1875320004 CFGPKQGIQWVQOD-WMLDXEAASA-N 334.416 2.906 0 50 EFAA CCN1CCC(N(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C2CC2)CC1 1875394583 NXSOBLKKJSRVFQ-QWHCGFSZSA-N 346.475 2.521 0 50 EFAA O=C(N1CCS[C@H]1c1ccco1)C12CC(C(F)(F)F)(CO1)C2 1875404465 JUBCCPHMDQZUTK-PKSQDBQZSA-N 333.331 2.965 0 50 EFAA Cc1nnc([C@H]2CCCN(C(=O)c3cccc4c3OCCO4)[C@H]2C)o1 886084724 CFPIZRBQARPTKF-AAEUAGOBSA-N 343.383 2.558 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2noc(C3CCCCC3)n2)C1 888079225 MQGAPRGHWGGHPS-ZIAGYGMSSA-N 331.420 2.802 0 50 EFAA CC(C)c1cncc(NC(=O)Cn2nnnc2-c2ccsc2)c1 888236665 BDVMPAORTNTMGY-UHFFFAOYSA-N 328.401 2.559 0 50 EFAA Cn1nnc(CN2C[C@@H](C(=O)O)CCC23CCCCC3)c1C(F)F 2325791938 KPAZNVIAVHKAHT-NSHDSACASA-N 342.390 2.752 0 50 EFAA Cc1cc(=O)c(C(=O)NC2(c3ccccc3F)CC(C)C2)cn1C 2325801062 UEERJFLSLQMBEA-UHFFFAOYSA-N 328.387 2.888 0 50 EFAA Cc1ccccc1[C@@H](CN(C)C)NC(=O)c1n[nH]c2c1CSCC2 2325804865 YPRIOORBLVYTKN-MRXNPFEDSA-N 344.484 2.540 0 50 EFAA CN(C)[C@H]1C[C@H](c2nc([C@H]3CCOC3)nn2-c2ccc(F)cc2)C1 2325849279 KEDJQIFFPUAVBC-XEZPLFJOSA-N 330.407 2.718 0 50 EFAA Cc1ccc2nc(COC(=O)[C@@H](C)Cc3ccccc3)cc(=O)n2c1 112004423 NFLWDJLESFYRDQ-HNNXBMFYSA-N 336.391 2.925 0 50 EFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1cccc(Br)c1 285163 GIBOUZZZGJXKQA-MRVPVSSYSA-N 347.423 2.868 0 50 EFAA Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 422199 WNMCGLNHMAPWMX-UHFFFAOYSA-N 331.426 2.669 0 50 EFAA CN(c1ccccc1C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 610347 BTBDNZJOWZYLCK-UHFFFAOYSA-N 340.351 2.613 0 50 EFAA Cc1cccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c1 2366131 VRQZFSBSLMZXSO-UHFFFAOYSA-N 333.399 2.823 0 50 EFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3ccncc3)n21 2356137512 OAIXMVIYVXGAFI-LBPRGKRZSA-N 337.358 2.583 0 50 EFAA CCc1oc(C(=O)N=c2nc(C)n(C(C)C)[nH]2)cc1CN1CCCC1 2356166771 MUWMGGWJKLTHIF-UHFFFAOYSA-N 345.447 2.593 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1 863983898 MTTRCLXAYORBLR-QAPCUYQASA-N 343.475 2.794 0 50 EFAA CCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21 100512518 CEBWFNGPYDQFSF-UHFFFAOYSA-N 340.354 2.796 0 50 EFAA CCSc1nc(CC(=O)N(Cc2nccn2C)C2CC2)cs1 55242158 WYQKBNHLTAZLTN-UHFFFAOYSA-N 336.486 2.722 0 50 EFAA CCc1ccccc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCC[C@H]1C 248002795 ULEHEEAZMPDLPA-NVXWUHKLSA-N 345.487 2.814 0 50 EFAA CCc1cccc(OCCCN(C)C(=O)[C@H](NC(C)=O)C(C)C)c1 55413021 LBGXVCFKJISPQG-GOSISDBHSA-N 334.460 2.637 0 50 EFAA Cc1cccc(CNC(=O)NC[C@H]2CCN(Cc3ccccn3)C2)c1 67692606 HQPIXHOBWXXBDD-GOSISDBHSA-N 338.455 2.711 0 50 EFAA Cc1cccc2c1CN(C(=O)Cn1ccc(=O)c3ccccc31)CC2 346956732 NEDSLTWOXFGFER-UHFFFAOYSA-N 332.403 2.895 0 50 EFAA C(=C/CN1CCO[C@@H]2CCCC[C@H]21)\CN1CCO[C@@H]2CCCC[C@@H]21 249734492 CYIWQDIBEIQJRL-OWYSTDNFSA-N 334.504 2.829 0 50 EFAA c1ccc(CCc2n[nH]c(CN3CCOc4ccccc4C3)n2)cc1 65374563 GYXAEJLPJJNYTN-UHFFFAOYSA-N 334.423 2.985 0 50 EFAA CC(C)c1cc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc(O)n1 123672915 KFROVMIEBKFFLQ-CQSZACIVSA-N 334.416 2.716 0 50 EFAA CSc1cccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 72467994 UJXGALSKRNMXCP-UHFFFAOYSA-N 325.441 2.951 0 50 EFAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2C[C@H]2CC(=O)N(C)C2)n1 67673316 SDLYJSKUMGPAEM-AWEZNQCLSA-N 335.411 2.727 0 50 EFAA O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@H]1c1ncc[nH]1 331894621 XVYVLGFTNMTXPB-NSHDSACASA-N 329.784 2.728 0 50 EFAA Cc1cccn2c(CC(=O)NCc3ccc4c(c3)C[C@@H](C)O4)cnc12 65394150 NWPXPVMTUQSGCX-CQSZACIVSA-N 335.407 2.825 0 50 EFAA Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C(C)(C)N)CC2)c1 67691543 YBIWXWBKTVSOPC-UHFFFAOYSA-N 326.444 2.828 0 50 EFAA CN(C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)C1 252550181 SEBOIUOYPPPNPL-XWTMOSNGSA-N 337.508 2.584 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1cnn(-c2cccc(F)c2)c1 77302442 WSPFYZRAWLEXSN-SFHVURJKSA-N 344.434 2.844 0 50 EFAA Cc1cccc(F)c1NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C 284668450 DOXKUPUDYRBBNI-KGLIPLIRSA-N 334.395 2.543 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)nc1 215892612 UTGSKDGQIOWKIC-GOSISDBHSA-N 336.435 2.930 0 50 EFAA CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 129382549 AEAOWTPOGJVILU-WFASDCNBSA-N 328.416 2.531 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCOc2ccc(Cl)cc2C1 215346116 OVPKBNPMKSVMPR-UHFFFAOYSA-N 337.832 2.976 0 50 EFAA COc1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2C)c(F)c1 452262582 ZWWQPYXTZIVTPP-UHFFFAOYSA-N 347.390 2.872 0 50 EFAA CCS(=O)(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 11820455 CAFFQEGIXMXCRP-UHFFFAOYSA-N 328.340 2.591 0 50 EFAA CN(C(=O)c1csc(-c2ccccc2)n1)C1(C(N)=O)CCCC1 152261811 BMVYIMFVKZCYNB-UHFFFAOYSA-N 329.425 2.680 0 50 EFAA COCCC1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CCC1 151521069 DSJWZEQUEAWUBO-UHFFFAOYSA-N 344.455 2.746 0 50 EFAA Cc1ccc(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1C 75035067 LOCAJWNVSHQDGY-UHFFFAOYSA-N 340.423 2.814 0 50 EFAA CNC(=O)c1ccc(CNc2nccc(CCC(F)(F)F)n2)o1 71753498 UIRFKDDJLHWIBE-UHFFFAOYSA-N 328.294 2.536 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@@H](Oc2ccncc2)C1 365516157 PWWQYELHLWALQY-FGTMMUONSA-N 341.386 2.940 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc2ccnn12 72152063 YATPWBKWPLRHBY-UHFFFAOYSA-N 345.406 2.851 0 50 EFAA COc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2)cc1OC 17070633 AZICYCATGGLRNW-ZDUSSCGKSA-N 335.425 2.884 0 50 EFAA Cc1c(-c2cc(CN3CC(C)(C)O[C@@H]4CCC[C@H]43)on2)cnn1C 369603536 MEIRNBRBZGQPPK-IAGOWNOFSA-N 330.432 2.915 0 50 EFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)Cc2c[nH]c3ncccc23)n1 371969982 XQIHUVDMCSVSEB-INIZCTEOSA-N 349.438 2.912 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 157323906 OBRJLYVVIYFGBQ-ZDUSSCGKSA-N 348.422 2.545 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCc2csc(N)n2)[C@H](C)C1 77505947 HCVTWUHWDRKSBN-CQSZACIVSA-N 344.484 2.704 0 50 EFAA COCc1cc(NC(=O)/C=C/c2ccc(O)cc2)cc(C(=O)OC)c1 492833992 FFFHKYWKIVZMQG-VMPITWQZSA-N 341.363 2.977 0 50 EFAA Cc1nc2c(c(N[C@H](C)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)n1)CCNC2 216480054 MVBLJZKPCNKUHY-QYJOXAENSA-N 342.487 2.562 0 50 EFAA COc1ccccc1[C@H]1CN(C(=O)CC2CC2)[C@@H]2C3CCN(CC3)[C@H]12 72148355 ZCXGBDOFNYPTPJ-DUXKGJEZSA-N 340.467 2.884 0 50 EFAA Cn1cnc2c(C(=O)N[C@@H](c3ccccc3)c3nccs3)ccnc21 376752405 YTJIWIUMYIZXIX-AWEZNQCLSA-N 349.419 2.944 0 50 EFAA CCCc1nc(C)c(CNC(=O)CCc2c(C)nc(O)nc2C)s1 222734802 OKMNBSVSLPVJBG-UHFFFAOYSA-N 348.472 2.765 0 50 EFAA C[C@H](NCCN1CCOC(C)(C)C1)c1cnn(Cc2ccccc2)c1 178764585 FDLQGQOQEFDUHZ-KRWDZBQOSA-N 342.487 2.693 0 50 EFAA Brc1ccc2c(c1)C=C(CN1CCn3cncc3C1)CO2 291538078 KYAHNMFYFXEDQU-UHFFFAOYSA-N 346.228 2.937 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)c1 161358108 YMYSDXCGENQVBP-YOEHRIQHSA-N 336.391 2.550 0 50 EFAA CCN(Cc1ccncc1)C(=O)NC[C@H]1Cc2ccccc2CN1C 426562841 GKFUGJATTLEVSI-LJQANCHMSA-N 338.455 2.670 0 50 EFAA Nc1nc(NCc2ccccc2C(F)(F)F)cc(C2CC(O)C2)n1 223104343 SYAYEZSOLYFHAJ-UHFFFAOYSA-N 338.333 2.928 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91997486 YKEJKQTYDMYGOK-MRXNPFEDSA-N 349.438 2.685 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@]2(CCOC2)C1 91817751 HTIUTKYSJYSVOI-LJQANCHMSA-N 325.412 2.579 0 50 EFAA Cc1cc(NC(=O)NCCSc2nccn2C)n([C@H](C)C2CC2)n1 95527811 XLNXJEGGCLMHOG-GFCCVEGCSA-N 348.476 2.810 0 50 EFAA C[C@H](O)[C@@H]1CCCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 245343924 WMLKZBPYNRHQGQ-OZVIIMIRSA-N 340.826 2.677 0 50 EFAA Cc1ccc(NC(=O)CN(Cc2cocn2)Cc2cocn2)cc1F 243919618 BPUGAIIQWNYHFD-UHFFFAOYSA-N 344.346 2.751 0 50 EFAA Cc1ccc(C2(O)CCN(Cc3noc(C4CCCC4)n3)CC2)nc1 243932663 BXPHKXCBGHEZFE-UHFFFAOYSA-N 342.443 2.914 0 50 EFAA COc1ccc([C@@H](NC(=O)C2CCCCCC2)[C@H]2C[C@@H](O)C2)cn1 244626538 FNNWGIZELSQWDY-SOLBZPMBSA-N 332.444 2.989 0 50 EFAA CC(=O)N1CSC[C@H]1c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299738553 CEEPMJCFCGLDCX-SRVKXCTJSA-N 325.434 2.582 0 50 EFAA CCOc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 252522954 BMUNSRIZRJSGCQ-IIDMSEBBSA-N 326.396 2.722 0 50 EFAA CN1CCC(OCCCNC(=O)c2ccc3ccccc3c2O)CC1 299761142 VJSXHZDNDMOSMT-UHFFFAOYSA-N 342.439 2.776 0 50 EFAA O=C1CCc2c1cccc2C(=O)NCc1noc(-c2cccs2)n1 828177510 KSTLNYNWJGLVBO-UHFFFAOYSA-N 339.376 2.857 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@@H]3COc4ccccc4O3)cc2c1 670468358 UYQONIYLQAMMGG-SFHVURJKSA-N 338.363 2.633 0 50 EFAA O=C(Cc1nnc(O)c2ccccc12)N1CCC[C@H](c2cccnc2)C1 869055209 OOZPTZBDZUBGQZ-HNNXBMFYSA-N 348.406 2.679 0 50 EFAA OC[C@H](O)[C@H](c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 1875274988 KOYDLTYMEDSBAD-ACRUOGEOSA-N 341.451 2.527 0 50 EFAA CCc1cc(NS(=O)(=O)c2cccc3ccn(C)c23)nc(C)n1 1875280973 JDWMTUJSARLURX-UHFFFAOYSA-N 330.413 2.640 0 50 EFAA CSc1ccc([C@H](CNc2ncnc3cnn(C)c23)N(C)C)cc1 1875294909 PLTRVIGXBYDJLW-HNNXBMFYSA-N 342.472 2.800 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2cc(CO)ccc2F)C3)n1 888099172 UCIOKKXWVRCILV-YJBOKZPZSA-N 331.391 2.563 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)OCc1cc(C(F)(F)F)no1 888099200 COLWJTIPJRGJNA-UHFFFAOYSA-N 338.282 2.651 0 50 EFAA COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@H]1c1ccc(N)nn1 886097226 OQANPGIMNXYJMY-CJTWTEFWSA-N 338.411 2.834 0 50 EFAA O=C(N=S1(=O)CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 891367731 KYIYWVIAZSFNOG-LLVKDONJSA-N 339.310 2.741 0 50 EFAA Cc1c(C(=O)N2CC(C)(C)[C@H]2C(C)C)sc2ncn(C)c(=O)c12 1775986334 IAGYAUFFDLJMMJ-CYBMUJFWSA-N 333.457 2.810 0 50 EFAA CO[C@H](CS(=O)(=O)Nc1c(O)cc(F)cc1F)C1CCCC1 1775990112 JZLNLGMVDIVODI-CYBMUJFWSA-N 335.372 2.617 0 50 EFAA Cc1ccccc1[C@H]1CN(Cc2[nH]cc(C)c(=O)c2C)C[C@@H]1C(=O)O 1565526130 GXBGYBHPOBVOIT-SJORKVTESA-N 340.423 2.600 0 50 EFAA COc1ccc(Cl)cc1[C@@H](O)CNc1cc(Cl)nc(N)n1 1363736560 WMMQNQNLLWRCCH-VIFPVBQESA-N 329.187 2.520 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 408387253 VDUFWKODVIZFMJ-QXSJWSMHSA-N 333.432 2.884 0 50 EFAA Fc1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cnc1Cl 408524036 PPDASJWEIMTMSI-LBPRGKRZSA-N 335.814 2.791 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCc2ccccc2O1 411133430 ZYYUWBPLODEYIS-AZUAARDMSA-N 336.435 2.771 0 50 EFAA CC1(C)CC[C@@H](NC(=O)c2cc3c(=O)[nH]cnc3cn2)c2ccccc21 187257367 GXMJPQCHYINIIQ-OAHLLOKOSA-N 348.406 2.861 0 50 EFAA COC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C[C@@H](C)O1 187320808 LXCUVAOUGKNHDM-QKCSRTOESA-N 326.462 2.871 0 50 EFAA CN(CCN(C)C(=O)c1ccc(OC(F)(F)F)cc1)CC(F)F 170598414 DACCCBARFXBNNY-UHFFFAOYSA-N 340.292 2.854 0 50 EFAA COc1ccc(C[C@@H](C)CN2C(=O)[C@H]3CCCCN3C2=O)cc1OC 170592726 PVQXFOHMCXWNJY-UKRRQHHQSA-N 346.427 2.699 0 50 EFAA CC1CCC(NS(=O)(=O)CC(=O)NC2CCC(C)(C)CC2)CC1 170639032 YEPVNRSIJXUYAM-UHFFFAOYSA-N 344.521 2.570 0 50 EFAA Cc1cnc(NC(=O)[C@H]2CCc3cnn(C)c3C2)c(Br)c1 280913846 AFLJSWYOHWOJMG-JTQLQIEISA-N 349.232 2.630 0 50 EFAA Cc1c(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)nnn1C 281621395 YBAFPOOZPGHXMR-HNNXBMFYSA-N 338.333 2.600 0 50 EFAA Cn1cccc1[C@H]1COCCN1Cc1ccn(-c2ccccc2F)n1 189568533 PZOYBXAJHCJIGZ-LJQANCHMSA-N 340.402 2.923 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2cn[nH]c2c1 190423451 FPRLPIXSPWSMKJ-RDJZCZTQSA-N 325.416 2.789 0 50 EFAA O=C(O)c1cccnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 647447596 PEDHUEWXEMTRCE-SNVBAGLBSA-N 340.305 2.837 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3cc(-c4csc(C)n4)c[nH]3)C2)n1 671590383 MEANBGWQGMAYFN-LLVKDONJSA-N 343.412 2.768 0 50 EFAA COc1ccc(/C=C/C(=O)NC(=S)N2CCCCCC2)cc1OC 284375 LKJWYGIAYJXYIJ-CSKARUKUSA-N 348.468 2.994 0 50 EFAA O=C(c1scc2c1CCCC2)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529189539 QUYFKNRLRRTXCJ-NVXWUHKLSA-N 342.464 2.698 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ccccn3)CC1)OCC2 1704305531 XGIQFZZBSMOSLD-UHFFFAOYSA-N 338.407 2.794 0 50 EFAA O[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1Cc1ccncc1 1616069427 HRISHYTWVBUVMJ-LRDDRELGSA-N 338.238 2.819 0 50 EFAA COCC1(CNc2nnc([C@H](N)Cc3ccccc3)o2)CCCC1 1772712991 YBVTYMWWPOMJKU-OAHLLOKOSA-N 330.432 2.931 0 50 EFAA CN(CC1CCN(Cc2ccccc2)CC1)C[C@@H]1CCC(=O)N(C)C1 1772807962 DGIIJMICMARFLZ-FQEVSTJZSA-N 343.515 2.699 0 50 EFAA Cc1cc(Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)ncn1 11903113 KEAPWQMDJVZMAX-UHFFFAOYSA-N 344.396 2.600 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2F)c1 12404465 XAOBJRVIMCBMRG-HNNXBMFYSA-N 342.370 2.987 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)c1cc(-c2ccccc2)on1 12440008 QERCQKHXOSAMCH-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3C)C2)cc1F 12454585 NTZAJRQVAOOZIR-OAHLLOKOSA-N 345.418 2.971 0 50 EFAA CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc2c(c1)OCO2 16652414 HDTACDKHEOVWJN-UHFFFAOYSA-N 343.364 2.799 0 50 EFAA N=c1[nH]c2cc(C(=O)NC[C@@H]3COc4ccccc4C3)ccc2s1 1857735371 AVZBHELNARDZOX-LLVKDONJSA-N 339.420 2.690 0 50 EFAA CCC[C@]1(CO)CCN(Cc2cc3ccc(C)cc3nc2O)C[C@H]1O 1875249822 CYEWACHVKHCSFD-UYAOXDASSA-N 344.455 2.594 0 50 EFAA CCOc1ccc(-c2cc(=NC(=O)c3cc(C)nc(C)n3)[nH][nH]2)cc1 1875251569 WDMDEFQTCMQIBK-UHFFFAOYSA-N 337.383 2.556 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1OCCc2ccccc21 237048602 ZMBGXURCYUYIBY-KRWDZBQOSA-N 325.364 2.657 0 50 EFAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1Cl 345756317 FZJQUHVXEMNHSO-NUEKZKHPSA-N 325.836 2.581 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCCc1ccccc1 247940180 MYAFISHTLDOJHZ-MOPGFXCFSA-N 328.456 2.869 0 50 EFAA CC(C)n1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)n1 264934991 XBWGZJYSEIKIAU-ZDUSSCGKSA-N 332.473 2.702 0 50 EFAA CCN1C[C@]2(C[C@@H](O)[C@H](N[C@@H](C)c3cncc(C)c3)C2)[C@H]1C(C)C 903121730 VFYFYIAWVAUHNT-FKICDVMDSA-N 331.504 2.910 0 50 EFAA Cc1sc2cc(C(=O)N[C@H]3CCN(C)CC3(C)C)[nH]c2c1C(=O)O 2325788700 XWEVYSOYRIMEIV-LBPRGKRZSA-N 349.456 2.696 0 50 EFAA O=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 57037 BABUDAQOHSIBJR-SFHVURJKSA-N 329.363 2.803 0 50 EFAA O=C(O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 4833449 IYTYESIAKCAKHZ-CSKARUKUSA-N 336.141 2.898 0 50 EFAA CCCCC(=O)Nc1cccc(C(=O)N(C)Cc2ccncn2)c1 55358768 DPYYWCPPMKWMKP-UHFFFAOYSA-N 326.400 2.878 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)no1 116660420 DFVMDISJGHQLFC-NSHDSACASA-N 337.326 2.593 0 50 EFAA C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 119887656 JXAIGLDVRIMLLH-YOEHRIQHSA-N 331.437 2.962 0 50 EFAA Cc1cccnc1C[C@@H](C)NC(=O)c1cnc(-c2ccncc2)nc1 67742189 KBIYWOJUJLEDLA-CQSZACIVSA-N 333.395 2.603 0 50 EFAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H](CN2CCOCC2)C1 229899328 GSSRTXKOPSEMNO-KFKAGJAMSA-N 346.446 2.500 0 50 EFAA Cc1ccc(-c2ccc(NS(C)(=O)=O)nc2)c(-n2cccn2)c1 67515052 UTBIZBJRPTWLMP-UHFFFAOYSA-N 328.397 2.614 0 50 EFAA C=CC(=O)N1CCC(C(=O)c2ccc3c(c2)N=C(O)[C@@H](C)O3)CC1 328599657 SSHYKLIGDSKWDM-LLVKDONJSA-N 328.368 2.663 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cccn3C3CCCC3)CCO2)o1 328615495 YRZNNQFCRJYWDF-HNNXBMFYSA-N 330.388 2.508 0 50 EFAA Cc1nc(CCNC(=O)CC[C@@H]2CCCCN2C)nc2c1CCCC2 65470227 VAHJAHCWDBDLKG-INIZCTEOSA-N 344.503 2.587 0 50 EFAA COCCOC1CCC(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)CC1 331863490 FZFZNTRZQFYACW-JEVOJNTISA-N 347.455 2.543 0 50 EFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H]1c1ccccn1 65404604 NGLXUKJWAZFJBJ-QGZVFWFLSA-N 331.379 2.911 0 50 EFAA C[C@@H](NCc1nnc2ccccn12)c1ccc2c(c1)C(C)(C)C(=O)N2 354957822 HDFNJHFRGCCVCV-GFCCVEGCSA-N 335.411 2.810 0 50 EFAA COc1ccc2[nH]c(=O)c(CN(C)Cc3cnc4ccccn34)cc2c1 67881129 CPPASQUMGTUNBQ-UHFFFAOYSA-N 348.406 2.816 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H](C)CN)CCO2 67895076 RBKIZWNPXMKZKK-AWEZNQCLSA-N 340.423 2.683 0 50 EFAA CC(C)c1ncsc1C(=O)N1CCN(c2ccccc2O)CC1 332407348 CPBOGGBYJJKTNH-UHFFFAOYSA-N 331.441 2.935 0 50 EFAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccnn1C 2766867 CNNFVEPCTJFKLM-UHFFFAOYSA-N 327.363 2.673 0 50 EFAA O=C1CCC[C@H](CC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)N1 332908683 WWIZYNRVYLGFIR-WBMJQRKESA-N 340.345 2.565 0 50 EFAA O=C(N/N=C\c1cccc(O)c1)[C@@H]1COc2cc3ccccc3cc2O1 32614386 GTGKYMNPIVLHPS-POJBONIESA-N 348.358 2.836 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H]1CCNC1 237457280 IDEZBYONDOJROQ-CKEIUWERSA-N 343.471 2.661 0 50 EFAA CSc1nc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)cs1 215816798 CVXLWKXHHAVCJC-AWEZNQCLSA-N 333.482 2.994 0 50 EFAA Cc1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)nc(N(C)C)n1 252490492 KUYVTYDKSVETIX-OAHLLOKOSA-N 345.878 2.873 0 50 EFAA Cn1c(=O)oc2cc(CNCc3cccc(C(F)(F)F)n3)ccc21 449403562 WQEAQFJUDHOXIN-UHFFFAOYSA-N 337.301 2.835 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCn3c(C)nnc32)C1(CC)CC 252517240 CPVMDOQBIVXLDQ-SOUVJXGZSA-N 349.479 2.704 0 50 EFAA CN1CCc2c(NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cccc21 239762556 CMCOVFCBHXGQGD-XYPHTWIQSA-N 327.428 2.758 0 50 EFAA CCc1ccc2occ(CC(=O)NCCN3CCCC[C@H]3CO)c2c1 216080408 STLHAJXHDGSQLG-KRWDZBQOSA-N 344.455 2.501 0 50 EFAA O=C([C@@H]1CCCCO1)N(Cc1ccc(O)cc1)Cc1cccnc1 215691831 KFSNQJGRYPTUQM-SFHVURJKSA-N 326.396 2.885 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72408585 XBWKWZCQWCGVKJ-SFHVURJKSA-N 332.488 2.946 0 50 EFAA COCCn1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccc(OC)cc2)n1 253429752 UNZOWDIIIMUMHI-KBXCAEBGSA-N 343.427 2.761 0 50 EFAA Cc1cc(C)c2c(CC(=O)N[C@H]3CCCCNC3=O)coc2c1C 216275577 KPPRLWHWZHDWKU-HNNXBMFYSA-N 328.412 2.685 0 50 EFAA O=c1c2c3c(sc2ncn1Cc1ccnc2ccccc12)CNCC3 77405984 JOLHMKGDCBRZJH-UHFFFAOYSA-N 348.431 2.700 0 50 EFAA COc1ccc(C(=O)O)c(NS(=O)(=O)c2sccc2C)c1 356752080 OZZWCKNRWATWTL-UHFFFAOYSA-N 327.383 2.564 0 50 EFAA Cc1cc(C)n(-c2cccc(-c3nccn3C[C@@H]3CCC(=O)N3C)c2)n1 72477800 OLNQPAOYTJBIGY-SFHVURJKSA-N 349.438 2.973 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC(CO)CC3)c(C)o2)c1 71745203 QIAOHPOPLPLIQP-UHFFFAOYSA-N 346.427 2.872 0 50 EFAA Cc1nnc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)o1 77339878 APLAMINHXAYOMB-SFHVURJKSA-N 334.464 2.629 0 50 EFAA Cc1nccn1C1(C(=O)O)CCN(c2ccc3ccccc3n2)CC1 72447812 CXGYONDOYNQKNU-UHFFFAOYSA-N 336.395 2.820 0 50 EFAA O=C(CCc1cccc(C(F)(F)F)c1)N1CCC[C@@H](OCCO)C1 344057999 XXSJHDRMSSAOBB-OAHLLOKOSA-N 345.361 2.638 0 50 EFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1ccco1 72165431 SZXQJUCWAIVAON-GJZGRUSLSA-N 349.394 2.895 0 50 EFAA Cc1nc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cs1 219995116 FISALXVPAFFEAG-ZQIUZPCESA-N 344.436 2.628 0 50 EFAA Cc1onc(-c2ccncc2)c1C(=O)N[C@H]1CN(C)Cc2ccccc21 378273685 BXSPOLGJOASFQP-KRWDZBQOSA-N 348.406 2.962 0 50 EFAA CCN(CC)Cc1cc(C(=O)N(CC)Cc2cnn(C)c2)c(C)o1 219929538 JRRHDVHMZLBTQJ-UHFFFAOYSA-N 332.448 2.826 0 50 EFAA COc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 138655837 CJFDXPGKFHZRJB-GFOFROLCSA-N 330.428 2.741 0 50 EFAA CO[C@@H](C)CN(C)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 286686587 YUOHXGMNLHJQJT-NSHDSACASA-N 348.424 2.688 0 50 EFAA Cc1nc(CC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 72479729 IWSCFKHCNNFLMG-GOSISDBHSA-N 342.420 2.631 0 50 EFAA CCCOc1ccc(Cl)cc1C(=O)NCc1nnc2n1CCCC2 176029282 MTZCPJNSAHVCJD-UHFFFAOYSA-N 348.834 2.987 0 50 EFAA CCCCC(=O)N1CCCC[C@H](NC2CSCCSC2)C1 82160927 KKDNZWVGGZLZHG-AWEZNQCLSA-N 330.563 2.996 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1conc1-c1ccccc1 220334991 NQJCJDBRUZYVPL-SJORKVTESA-N 342.395 2.656 0 50 EFAA O=C1[C@H](NCc2cncnc2)CCN1c1ccc(Cl)cc1Cl 225594043 SVVNZTUCUCQCLL-CYBMUJFWSA-N 337.210 2.679 0 50 EFAA Cc1ccccc1O[C@@H](C(=O)NCCc1csc(N)n1)C(C)C 220336591 KIXIETVWNRQWEW-OAHLLOKOSA-N 333.457 2.796 0 50 EFAA Cc1nc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c(C)s1 178968791 LFCHLPSOWQYJGL-UHFFFAOYSA-N 335.410 2.880 0 50 EFAA CC(=O)c1ccc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc1 179053887 XFCXLUWWRFXAJJ-UHFFFAOYSA-N 336.395 2.769 0 50 EFAA CCOc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1 85479127 ZXPIVMFWPJFXML-UHFFFAOYSA-N 338.407 2.883 0 50 EFAA CCC1(CC)CN(C(=O)N[C@@H](C(=O)O)c2cccc(C)c2)CCO1 426727513 PHHJTXBNZQPEEE-OAHLLOKOSA-N 334.416 2.721 0 50 EFAA CCNC(=O)c1cc(NC(=O)NCCCc2ncc[nH]2)ccc1Cl 97393954 CNBKHCROGQBHGZ-UHFFFAOYSA-N 349.822 2.567 0 50 EFAA CCCn1ncc(-c2nc(Cc3cccs3)nn2CC(=O)O)c1C 97766766 CPXWQKMFEMDWPL-UHFFFAOYSA-N 345.428 2.597 0 50 EFAA O[C@@]1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)C1 97744777 KRJUDMVQHFBWFE-SFHVURJKSA-N 329.469 2.837 0 50 EFAA Cc1nc(NCCc2noc([C@H]3CCCO3)n2)c2sccc2n1 91894788 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345.830 2.965 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 1875362411 DAOWDBUZKUUNML-UHFFFAOYSA-N 347.371 2.515 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 952962312 AFDNUKLTWCMMDE-KRWDZBQOSA-N 336.395 2.787 0 50 EFAA CO[C@@]1(c2nnc(-c3cc(-c4cc(F)ccc4F)no3)o2)CCOC1 886086484 VMLXTBDHKHYLEV-INIZCTEOSA-N 349.293 2.932 0 50 EFAA COC[C@]1(NC(=O)[C@@H]2CCC(F)(F)C2)COc2ccccc2C1 888100644 ZNDPOADXNQQRJP-CJNGLKHVSA-N 325.355 2.558 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)NCc2cccc3c2OCCO3)s1 893471379 QPAHSFOTZKLCKY-LLVKDONJSA-N 333.413 2.783 0 50 EFAA COC(=O)c1sc(Br)cc1NC(=O)[C@@H](OC)C1CC1 1775997512 FQTIJGRQTTTYFG-VIFPVBQESA-N 348.218 2.661 0 50 EFAA Cc1nc(N[C@H](c2cccc(F)c2)c2nccn2C)ncc1C(=O)O 1777515801 CKQOQYZCJCLYRH-CQSZACIVSA-N 341.346 2.557 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CCCCC3)n1 275447562 SRNIHXUVYFLRGG-CHWSQXEVSA-N 347.440 2.657 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1 408520376 BIHHTUVAVDWMRL-UONOGXRCSA-N 348.447 2.519 0 50 EFAA CCC[C@@H]1C[C@H]1NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 170645232 IVWYDWVKNAZWGK-ZWNOBZJWSA-N 331.441 2.624 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)sc1Cl 170608172 JBEALLMTHNJWFD-UHFFFAOYSA-N 342.829 2.754 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1N1CCOCC1 281410114 HTWQGLIIVABBHT-KUHUBIRLSA-N 342.414 2.772 0 50 EFAA COc1ccc(OC)c(CC(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1 646078106 QDAKLKOWKVYACX-RDJZCZTQSA-N 326.396 2.561 0 50 EFAA CCn1cc(OCC(=O)Nc2ccc(C)cc2Br)cn1 193556279 ZIXUZHGBXYBSJH-UHFFFAOYSA-N 338.205 2.991 0 50 EFAA CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc(Br)cs2)C1 194113452 GWLYRCVVHRXJPS-MWLCHTKSSA-N 346.294 2.965 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CCCC(=O)O)c1F 656525421 XIYGCSHOPPDQJL-ZDUSSCGKSA-N 343.420 2.932 0 50 EFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 668807032 CJOFPCAYMYHZOD-JCHJZTRSSA-N 339.439 2.693 0 50 EFAA Cc1nc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1[C@@H](C)O 770448833 JLHTYDFWVFWAIZ-CYBMUJFWSA-N 336.395 2.763 0 50 EFAA COc1ccc([C@H](O)CNc2ccnc(N3CCCCC3)n2)cc1 779429919 XTMRNGGUGDRJNR-MRXNPFEDSA-N 328.416 2.621 0 50 EFAA O=C(c1cscn1)N1CCCN(CCCOc2ccccc2)CC1 1195232358 JEMVKKUOTNJACH-UHFFFAOYSA-N 345.468 2.760 0 50 EFAA CCNC(=O)c1cc(NC(=O)c2ccc(CCN)cc2)ccc1Cl 1506428271 OUXJTLRYZMBFSF-UHFFFAOYSA-N 345.830 2.843 0 50 EFAA O=C(c1ccoc1)N1CCCN([C@H]2CCN(c3ccccc3)C2)CC1 1506412369 CWINNNSMLIGUIJ-IBGZPJMESA-N 339.439 2.706 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1 1529100736 YRNLVKXRSSWGEO-JTQLQIEISA-N 329.385 2.684 0 50 EFAA COc1ccnc(NC(=O)C(C)(C)C)c1I 6643286 QBAGSGZCYLRPEQ-UHFFFAOYSA-N 334.157 2.679 0 50 EFAA in-vitro O=C(O)[C@@]12CCOC[C@@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 1602207615 BAZPJWLBSOVVIO-SWLSCSKDSA-N 347.308 2.768 0 50 EFAA COc1cccc2ccc(N3CCOC4(CCN(C)CC4)C3)nc12 1772810210 DFNAPWFRYDBSPR-UHFFFAOYSA-N 327.428 2.544 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1onc2ncccc12 1775978836 WCFCSSJPEGJFIM-OAHLLOKOSA-N 333.351 2.591 0 50 EFAA O=C(c1onc2ncccc12)N1CCC2(CC1)CNc1ccccc12 1775981549 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EFAA CCn1[nH]c(=NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 1875250373 SPYFRGQLNCDMKB-UHFFFAOYSA-N 325.368 2.748 0 50 EFAA C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ocnc2C2CC2)C1 408521817 KHWQOKRLGZGDKM-WCQYABFASA-N 334.416 2.992 0 50 EFAA Cc1cc2c(NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)nccn2n1 225488455 XNFWSYNWTRYLJA-RISCZKNCSA-N 328.338 2.933 0 50 EFAA O=C(O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 237964755 NTWUFHLKZHDSHL-BRWVUGGUSA-N 327.355 2.741 0 50 EFAA CCc1ccc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)o1 253605978 HAELYCLMBDHOOF-CVEARBPZSA-N 343.379 2.871 0 50 EFAA Cc1cnn([C@@H]2CCN(Cc3nnc(Cc4ccccc4C)o3)C2)c1 367999062 BGXGUSGUGIAWIJ-QGZVFWFLSA-N 337.427 2.921 0 50 EFAA O=C(N[C@@H](C(=O)O)[C@H]1CCCOC1)c1cccc(-c2ccoc2)c1 262768256 LATWGGRJGZHJOG-JKSUJKDBSA-N 329.352 2.556 0 50 EFAA Fc1ccc(Cn2nnnc2Cc2ccc(Br)cc2)nc1 390833557 JJEYMMWHMDCGIF-UHFFFAOYSA-N 348.179 2.609 0 50 EFAA C[C@@]1(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCNC(=O)C1 902792866 XJRBRUYSMPGAIC-QGZVFWFLSA-N 349.337 2.691 0 50 EFAA 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339.391 2.939 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccn(-c2ccccc2Cl)n1 288459347 ADAKUWMMVDMENJ-NSHDSACASA-N 332.791 2.523 0 50 EFAA O=C(c1cnoc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1 82147135 VUQGRQDNHLZKIK-UHFFFAOYSA-N 347.374 2.831 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)c1 222933243 NCIZOARXOAFCTJ-QZTJIDSGSA-N 327.380 2.667 0 50 EFAA CCN(Cc1nonc1C)C(=O)c1sc(-c2cccnc2)nc1C 20607105 GNWAMWWXVNAYTE-UHFFFAOYSA-N 343.412 2.867 0 50 EFAA COc1cccc2c1OC[C@H](Cc1cccc(N3CCNCC3)c1)C2 95387172 WBRFFWMZUXXEQZ-QGZVFWFLSA-N 338.451 2.899 0 50 EFAA CCCN1CCC[C@]2(CCN(c3noc(-c4ccccc4)n3)C2)C1=O 91492960 SEKKUXRMCBPDNE-LJQANCHMSA-N 340.427 2.966 0 50 EFAA CCOc1ccc(Cl)cc1[C@@H](C(=O)O)N(C)Cc1cnccn1 95380703 ZEQYQQFQLOUXGC-HNNXBMFYSA-N 335.791 2.786 0 50 EFAA Cc1ccc2nc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2c1 91873232 FFPMXWSKYQYXKD-UHFFFAOYSA-N 336.395 2.721 0 50 EFAA CCC[C@H](C)n1nccc1NC(=O)N1CCN(c2cccnc2)CC1 97713620 JBUUPZQNMDUEQZ-HNNXBMFYSA-N 342.447 2.993 0 50 EFAA CCNc1ncc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)s1 291311434 RSMPCCBHBKGHPT-LBPRGKRZSA-N 348.447 2.970 0 50 EFAA NC(=O)C1(NC(=O)Nc2ccccc2OCc2ccco2)CCCC1 95507320 NCYVHZOKITZNDX-UHFFFAOYSA-N 343.383 2.778 0 50 EFAA Cc1nn2cc(CCNC(=O)C[C@H]3CCc4ccccc43)nc2s1 91596092 LJVSAAYPMKXHJD-CQSZACIVSA-N 340.452 2.878 0 50 EFAA CN1CCCC[C@H]1CCC(=O)N1CCN(Cc2cccs2)CC1 95353531 CTLCBMVHFJLVGB-INIZCTEOSA-N 335.517 2.657 0 50 EFAA O=C(CN1CCC[C@H](C(=O)c2cccs2)C1)NCc1ccccc1 244899453 ZKDWAVMBFRJAMK-INIZCTEOSA-N 342.464 2.959 0 50 EFAA Cc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)cnc1-n1cnnc1 244734478 NGGSOICNZNANEY-INIZCTEOSA-N 333.395 2.566 0 50 EFAA Cc1cc2ccccc2n1CC(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245245580 DPYKNIHAPRTQGC-SHTZXODSSA-N 328.412 2.957 0 50 EFAA CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c(F)c1 179455435 PRRPGBYMRLSCMO-SECBINFHSA-N 340.342 2.513 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)Cc1cc2c(cc1Cl)OCCO2 244900137 ZWRDVILGFZPEEV-CYBMUJFWSA-N 339.819 2.681 0 50 EFAA COc1ccc(CC(=O)NC[C@H]2CCN(C3CCCC3)C2)c(OC)c1 252504268 VJAQSDPOKFUQHS-OAHLLOKOSA-N 346.471 2.627 0 50 EFAA CCCOc1ccccc1CNC(=O)NC1(C(N)=O)CCCCCC1 534663487 FJMISRYRGOQEEE-UHFFFAOYSA-N 347.459 2.853 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2[nH]cnc12 262160075 PNAXYGGRTLFQLN-IIMNLJJBSA-N 331.347 2.560 0 50 EFAA COc1ccc(C(=O)NC[C@H]2CC(Cc3cccc(F)c3)=NO2)cc1 299778178 MDAXTUJBHQBASP-GOSISDBHSA-N 342.370 2.952 0 50 EFAA CNC(=O)[C@@H]1C[C@@H](NC2CCCCCC2)CN1Cc1ccccc1 299788639 VXILPXZZVSAFFJ-MOPGFXCFSA-N 329.488 2.688 0 50 EFAA CC(C)c1ncc(CN2CCCO[C@H](CN3CCCCC3)C2)cn1 822278827 PKZWZNAZRGRYKE-GOSISDBHSA-N 332.492 2.677 0 50 EFAA O=C1C[C@@H](C(=O)NCc2nc3c(s2)CCCC3)C2(CCCC2)O1 584892782 DCVQEQDXJSXUFK-NSHDSACASA-N 334.441 2.514 0 50 EFAA C[C@H](Oc1ccc(CN2CCOC(C)(C)C2)cc1Cl)C(=O)O 670469558 YJGYBTGJTPBOIT-NSHDSACASA-N 327.808 2.803 0 50 EFAA COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H](C)N 952973212 MYDHTTIZVKQBBV-AWEZNQCLSA-N 330.403 2.753 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)c2cnn3ccccc23)o1 408512948 UZVUSYMRYAAEIX-INIZCTEOSA-N 325.368 2.703 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 408519864 JCIZOBKLFWNFKR-PKOBYXMFSA-N 329.371 2.635 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN1C(=O)c1ccncc1Br 395846646 JGVXNUOKUAJINB-AWEZNQCLSA-N 341.205 2.704 0 50 EFAA CN(C)c1noc([C@H]2CCCN2c2nc(-c3ccccc3)ns2)n1 170619631 DHTIWOGKFKQBHY-GFCCVEGCSA-N 342.428 2.996 0 50 EFAA O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(NCc2ccccn2)c1 635819849 IMPAQWSWYWMAOO-QGZVFWFLSA-N 347.422 2.635 0 50 EFAA COC[C@@H](C)n1ccc(NC(=O)N2CCCC[C@@H](SC)C2)n1 189898614 HQVXBQUXDNUUEK-CHWSQXEVSA-N 326.466 2.840 0 50 EFAA CCOc1ccc(C(=O)N2CCCN(C[C@H]3CCCOC3)CC2)cc1 989591495 XHJVAZGHWYMXKX-QGZVFWFLSA-N 346.471 2.660 0 50 EFAA O=C(CCOc1ccccc1)N1CCCN(CCC(F)(F)F)CC1 1198112846 DSQFUDTWQJBVSN-UHFFFAOYSA-N 344.377 2.942 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@@H]1C(C)C 213221846 CXGKQGGVJHBJIB-MSOLQXFVSA-N 344.455 2.659 0 50 EFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccccc2)cc1OC 1529133479 LGAIAZXVQLJWIY-WOJBJXKFSA-N 343.423 2.638 0 50 EFAA Cc1cc(C)cc(S(=O)(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772702003 QDCNRDKRMCOYPA-UHFFFAOYSA-N 346.452 2.972 0 50 EFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2c(C)cccc2CC)n1 11903357 PHXJWVLEZUAKAJ-UHFFFAOYSA-N 331.441 2.934 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c(OC)cccc1OC 1857733308 DPUGCTOQWUKYQJ-UCMVZMLTSA-N 333.384 2.562 0 50 EFAA Cn1cc(-n2nc(-c3cccc(F)c3)nc2[C@H]2C[C@@H]3CC[C@H]2O3)cn1 1875243248 YCQODYJLIIJBEJ-HRCADAONSA-N 339.374 2.842 0 50 EFAA O=C(Cc1cccs1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709975403 IQXRRHHYZFCKBP-IRXDYDNUSA-N 331.437 2.781 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1F)N1CCOCC1 230136857 PNSXZVAUXLRJRT-JLSDUUJJSA-N 334.435 2.894 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(c2ncnc3sc(C)cc23)C1 328612011 NIXWSRGZSVXQGR-CMPLNLGQSA-N 331.401 2.658 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccn(-c3ccccc3F)n2)C1 643856040 SNIIYRNBHCWKIT-PBHICJAKSA-N 341.390 2.697 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(-c2ccco2)s1 238006123 MGCDGEIVIYRYIZ-LBPRGKRZSA-N 342.376 2.829 0 50 EFAA CCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)[C@H](C)CN(C)C 242302059 YPFLHLZMINLSLQ-CYBMUJFWSA-N 334.439 2.831 0 50 EFAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCc2cnccc21 135826823 DYZYQDPPZOGDIB-UHFFFAOYSA-N 339.786 2.827 0 50 EFAA C[C@@H](CO)N(C[C@@H](C)O)c1ncnc2sc(-c3ccccc3)cc12 252509986 YZNJSJLJGRAFTE-QWHCGFSZSA-N 343.452 2.926 0 50 EFAA Cc1cnc(N2CCC(n3cc(Br)cn3)CC2)nc1C 253417059 KWYDFYURDYYCSM-UHFFFAOYSA-N 336.237 2.894 0 50 EFAA Cc1ccoc1C(=O)N[C@@H](C(=O)O)c1ccc(Br)cc1 362284705 JCPVODBGGMLYOK-LLVKDONJSA-N 338.157 2.906 0 50 EFAA O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@H](C2CC2)C1 368675169 HAEUTAUKRUVXQQ-HNNXBMFYSA-N 327.380 2.820 0 50 EFAA CCOc1c(F)cccc1C(=O)N1CC(=O)NC[C@H]1c1ccccc1 906462463 IZMIWYDICZBKQN-INIZCTEOSA-N 342.370 2.538 0 50 EFAA C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C1CCCC1 821324825 BJCVICQZEHEEKL-NUEKZKHPSA-N 326.481 2.773 0 50 EFAA C[C@@H]1CC[C@H](CO)N1C(=O)COc1ccc(Oc2ccccn2)cc1 921983048 MOYVXXAXMSOPGG-HUUCEWRRSA-N 342.395 2.625 0 50 EFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cccc2c1CCOC2 934897503 NRLZMTZFYQARIQ-HNNXBMFYSA-N 339.391 2.719 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc(C3(O)CCCC3)n2)O1 854108022 XZUINVDHBOTUCH-GDBMZVCRSA-N 343.427 2.793 0 50 EFAA O=C(NC1CCOCC1)c1ccc(NCCOCC2CCC2)cc1 864095999 SACVADJQDYHBNP-UHFFFAOYSA-N 332.444 2.824 0 50 EFAA COc1cccc(-c2noc(N3CCC[C@@H]4[C@H](O)C(C)(C)[C@@H]43)n2)c1 866002269 QXPNUAKAHORBEK-ZNMIVQPWSA-N 329.400 2.731 0 50 EFAA Cn1cc([C@H]2CCCN2c2cnc(C(=O)OC(C)(C)C)cn2)cn1 952876095 QKJTYZSKBBWSBR-CQSZACIVSA-N 329.404 2.507 0 50 EFAA CCC(=O)NC1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 952876063 IRHIVEBWCDMEPW-UHFFFAOYSA-N 345.365 2.513 0 50 EFAA C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)[C@@H]1CN(C)CCN1C 952993442 HDFOYAOUSGDJAD-CPUCHLNUSA-N 343.437 2.860 0 50 EFAA CCOc1ccc(CNS(=O)(=O)Cc2ncsc2Cl)cc1 952993624 IJQJAUFQMMRIJF-UHFFFAOYSA-N 346.861 2.815 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2nccn2C(F)F)cc1 1875373780 OOUBOECXCHQYQK-UHFFFAOYSA-N 348.353 2.699 0 50 EFAA Cc1nonc1CC(=O)NC[C@H](C)c1ccc(Br)cc1 887406831 OYEBTQLRRCQOAC-VIFPVBQESA-N 338.205 2.603 0 50 EFAA C[C@]1(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CCCOC1 891292650 LCSAHUZKZAQSIN-IBGZPJMESA-N 344.386 2.791 0 50 EFAA O=C(Nc1cc(-c2ccccc2)ns1)N1CC(O)(C(F)(F)F)C1 1772386002 PUFCIHVSCFXLOL-UHFFFAOYSA-N 343.330 2.951 0 50 EFAA O=C(N[C@@]12CCC[C@H]1NCC2)c1ncc(C(F)(F)F)cc1Cl 1775600678 SOXAPQLTDJIKMQ-ZWNOBZJWSA-N 333.741 2.768 0 50 EFAA Cc1cc(CN2CCN(c3cccc(Br)c3)CC2)n[nH]1 1203076982 MQCIYIWYVAHVKB-UHFFFAOYSA-N 335.249 2.803 0 50 EFAA c1ccc(Cn2nnc3c(N4CCc5ccccc54)ncnc32)cc1 117982 WKMZYYGTJZCIOS-UHFFFAOYSA-N 328.379 2.964 0 50 EFAA aggregator Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC[C@]4(CCOC4)O3)cc2)c1C 2325791569 QIZOAQPRPNVUMR-PKOBYXMFSA-N 341.411 2.766 0 50 EFAA CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(c2cc(C)no2)CC1 2325818194 GJEOGDKORVOALB-GOEBONIOSA-N 347.459 2.774 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 121117 LMRCWCWWSZTHTB-UHFFFAOYSA-N 335.157 2.883 0 50 EFAA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 184396 HEMLHOZTHHKXFK-RYUDHWBXSA-N 340.305 2.651 0 50 EFAA CN1C(=O)[C@@]2(OC[C@@H](COc3ccc(Cl)cc3)O2)c2ccccc21 1063989 JPIUUDDEQIMAHV-RDTXWAMCSA-N 345.782 2.964 0 50 EFAA O=C(O)c1cnc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)c(Cl)c1 2356143235 ZQAFEPLDYVOLQL-MRXNPFEDSA-N 332.791 2.641 0 50 EFAA COC1(CN(C)C)CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 2356149760 APKOORGOKADPES-UHFFFAOYSA-N 343.427 2.524 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc(F)c(OC)c2)C1=O 2356167103 SEJKKSUUWJNDCW-IBGZPJMESA-N 348.418 2.842 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)Cc2ccc(F)cc2)C1=O 2356169882 KMWCFJNWUFVXRG-IBGZPJMESA-N 332.419 2.762 0 50 EFAA O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 6332145 UXCSFYOXNYWAMC-UHFFFAOYSA-N 344.361 2.953 0 50 EFAA O=c1[nH]c(CSc2nnc(-c3ccncc3)o2)nc2ccccc12 6703457 QLTZNELFUFXZHY-UHFFFAOYSA-N 337.364 2.660 0 50 EFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCC1 55378836 RGEGPSXSEZSJEU-UHFFFAOYSA-N 335.879 2.911 0 50 EFAA c1ccc2c(-n3nc(C4CC4)nc3CCN3CCCO3)nccc2c1 65504098 CILHWLCXLZMRKE-UHFFFAOYSA-N 335.411 2.873 0 50 EFAA C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H](c1ccccc1)N(C)C 343541812 LJMSOWNJGLEBEH-SMMRIJLZSA-N 342.487 2.779 0 50 EFAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCC(=O)O 27639645 GTUGBRJEKVKOKQ-LNWXBZBOSA-N 326.433 2.695 0 50 EFAA in-vitro CN(Cc1ccccc1)Cc1nnc2sc(-c3cccnc3)nn12 67239866 RMGJYMJECZYSSA-UHFFFAOYSA-N 336.424 2.880 0 50 EFAA CC[C@H]1CN(C(=O)c2ncc(OC)cn2)c2cccc(Cl)c2O1 346380813 FYGGVBDPORYKSP-JTQLQIEISA-N 333.775 2.956 0 50 EFAA COc1cccc2c1ccn2CCC(=O)N=c1[nH]c2ccccc2[nH]1 61721627 MEDAVYXSUTXLMT-UHFFFAOYSA-N 334.379 2.977 0 50 EFAA CCn1c([C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)nn(C)c1=O 67965028 QEWAYKHQEGEGCR-CYBMUJFWSA-N 349.504 2.561 0 50 EFAA CN(CC[C@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1 12040681 OQSLRNGICLTXHJ-MSOLQXFVSA-N 348.418 2.931 0 50 EFAA Cc1c(-c2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)n[nH]2)cnn1C 71755020 FKQBPZQDAVBXLK-KRWDZBQOSA-N 339.374 2.845 0 50 EFAA Fc1ccc(Cn2ccnc2-c2cc3n(n2)CCCNC3)c(F)c1F 72479036 YSAQMBQYLAIJIN-UHFFFAOYSA-N 347.344 2.706 0 50 EFAA O=C(CCCc1cccs1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 219156709 OQUYXTOYZIEGTM-HZPDHXFCSA-N 346.452 2.819 0 50 EFAA O=C(NCc1ccc(Cl)s1)c1cnc(C2OCCO2)s1 252479764 BMPGSPZQOWEZMZ-UHFFFAOYSA-N 330.818 2.833 0 50 EFAA CON(C)C(=O)[C@H](CCSC)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 252585463 IRHAVIRJKYKHCE-QOTRURMSSA-N 326.506 2.542 0 50 EFAA CCOc1cccc2c1OC[C@H](C(=O)O[C@@H]1[C@@H]3CCO[C@H]3C1(C)C)C2 252515485 KKAWYKXSEOJKCP-DTTOXWODSA-N 346.423 2.993 0 50 EFAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NC[C@H]([C@H]1CCOC1)N1CCOCC1 252586018 MXQZJQLOGJDITD-ZWJWXYIHSA-N 336.520 2.528 0 50 EFAA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccccc1Br 6927012 GUYNVUOQFJZCAW-QMMMGPOBSA-N 340.095 2.643 0 50 EFAA CN(Cc1ccc(CO)o1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328624557 CNAIQFOXLKKEPD-NSHDSACASA-N 343.349 2.682 0 50 EFAA CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(F)cn1 123216386 DFQFAEGHMMBOOL-UHFFFAOYSA-N 344.390 2.977 0 50 EFAA Cc1nc(-c2cccs2)ccc1C(=O)N(C)C[C@H](C)c1nnn[nH]1 124259677 ZPDQIVNCXHSZPF-JTQLQIEISA-N 342.428 2.507 0 50 EFAA Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 329855620 UDQNBVOJDVPRSM-HUUCEWRRSA-N 348.834 2.898 0 50 EFAA NC(=O)c1ccc(OC[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 153499909 UAGXHQGUWGVOMG-VQIMIIECSA-N 341.407 2.619 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3)C[C@@]2(CCO[C@@H]2C)O1 366075402 VYUDWJGYGOHATK-PJIJBLCYSA-N 346.427 2.812 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](Cn2ccnc2)C1 218890363 PTZUGXXCNYJOKM-HNNXBMFYSA-N 337.427 2.631 0 50 EFAA CC(C)c1cc(NCc2noc([C@H]3CCCO3)n2)n2nccc2n1 72154359 BGPJZXSPFKQMPH-GFCCVEGCSA-N 328.376 2.699 0 50 EFAA c1csc(CN(Cc2noc(C3CC3)n2)[C@@H]2CC23CCNCC3)n1 261667945 OUSWTUKSMLMRCB-CYBMUJFWSA-N 345.472 2.548 0 50 EFAA CSc1ccc(CN(C(=O)[C@H]2NCCc3[nH]cnc32)C2CC2)cc1 72479696 SVTWRRYMETVJQQ-KRWDZBQOSA-N 342.468 2.510 0 50 EFAA CC(C)C[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3cc(F)ccc32)CC(=O)N1 242242316 XTUHYSVKIOXGMG-UNEWFSDZSA-N 332.419 2.870 0 50 EFAA CCN(C)[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccccc1 229561998 PWYZBTHLTFYYMG-MSOLQXFVSA-N 326.444 2.740 0 50 EFAA O=C(NC[C@H](O)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1 47430687 NXSPBLOCCMXVMH-KRWDZBQOSA-N 325.343 2.679 0 50 EFAA CCc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)[nH]1 222920471 YYJLRNBYRCNLSO-UHFFFAOYSA-N 325.412 2.630 0 50 EFAA Cc1nc(N2CCN(Cc3cccc(C(=O)O)c3)CC2)sc1C 263466757 KFRACJHQDXJRBX-UHFFFAOYSA-N 331.441 2.780 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc3nc(C)cn3c2)n1 82087179 QSYFZKQFEMUYNT-UHFFFAOYSA-N 349.316 2.690 0 50 EFAA CN1C(=O)CC[C@H](C(=O)Nc2ccc3[nH]nnc3c2)[C@@H]1c1ccccc1 177849226 JIAUIAGKHJXADV-KSSFIOAISA-N 349.394 2.506 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCSc3cn[nH]n3)c2c1 95515206 UOKQZRVZSKXKBB-UHFFFAOYSA-N 341.440 2.800 0 50 EFAA OC[C@]1(c2ccccc2)CCN(Cc2nnc(-c3ccccc3)o2)C1 291395638 BMPZFIXTYAHJGP-FQEVSTJZSA-N 335.407 2.873 0 50 EFAA COc1ccc(C(C)=O)cc1NC(=O)NCC1(Cn2cccn2)CC1 96141832 RCNFURHOAAUTHL-UHFFFAOYSA-N 342.399 2.696 0 50 EFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)c2cc(O)n[nH]2)C1 91650821 IMGRQDWMWHMSQI-LBPRGKRZSA-N 343.431 2.646 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)n(C)n1 91807189 BMXKTXLIILRERF-SFHVURJKSA-N 346.450 2.790 0 50 EFAA CCN(Cc1noc(C)n1)C(=O)Nc1cc(NC(C)=O)ccc1C 96136170 YPCHTNSDUVGJSE-UHFFFAOYSA-N 331.376 2.699 0 50 EFAA CN(C)[C@H]1CCN(Cc2ccc(F)c(F)c2F)C[C@H]1CCCO 91689945 FCEYBDXUJFNFCO-DOMZBBRYSA-N 330.394 2.629 0 50 EFAA Cc1cc(Cl)ncc1C(=O)N1CCC(OCCCN(C)C)CC1 295320944 OVHZPCOABWILOL-UHFFFAOYSA-N 339.867 2.616 0 50 EFAA CC(=O)C[C@H]1COCCN1C(=O)CCc1ccc2ccccc2c1O 295841468 WWXXKLXOTKEBSX-KRWDZBQOSA-N 341.407 2.685 0 50 EFAA COc1ccc(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F 181725574 AMBQASJRJHAUNF-CQSZACIVSA-N 337.391 2.569 0 50 EFAA O=C(N1CCCN(C2CCCCC2)CC1)C1(Cn2ccnc2)CC1 299773960 GVADJJYZNVMZHP-UHFFFAOYSA-N 330.476 2.530 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(Cc1cn(C)nc1C)CC2 299786934 QREOVKKQKKHTTG-GBESFXJTSA-N 333.476 2.667 0 50 EFAA COc1ccc2c(c1)[C@H](C)N(C(=O)c1nnc3n1CCCCC3)CC2 299776151 KKHNVLGLQQMLBY-ZDUSSCGKSA-N 340.427 2.773 0 50 EFAA CC[C@H](C(=O)NCC1(c2ccccc2)CCN(C)CC1)n1cccn1 299759383 GXMJABWKCIVNDX-GOSISDBHSA-N 340.471 2.614 0 50 EFAA Cc1nnc(CN2CCC(c3nnc4n3CCCCC4)CC2)s1 299797713 NYIZZQQKHRZMHL-UHFFFAOYSA-N 332.477 2.544 0 50 EFAA CCN1CCN(CC(=O)NC2c3ccccc3-c3ccccc32)CC1 823112742 APQFMMPXDXVZCH-UHFFFAOYSA-N 335.451 2.510 0 50 EFAA CC(C)[C@@H](C(=O)N1CC(c2n[nH]c3c2COCC3)C1)c1ccccc1 1420654151 KGIFQNVSBMHTCN-GOSISDBHSA-N 339.439 2.848 0 50 EFAA CCN1CC[C@H](CN(CC)S(=O)(=O)c2cc(C)sc2C)C1 952990817 UBLWTSCQFWJNLG-AWEZNQCLSA-N 330.519 2.717 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ccc3occc3c2)C[C@@H]1NC(=O)N(C)C 1565510993 HKAHZCZFPJEDOJ-CVEARBPZSA-N 343.427 2.801 0 50 EFAA CC(=O)Nc1ccc(C(=O)Nc2ncn(C3CCCCC3)n2)cc1 184906369 VXHZLZDXGIOXBP-UHFFFAOYSA-N 327.388 2.994 0 50 EFAA CCCc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1 1069963 HGIVNUIQEDTHTJ-UHFFFAOYSA-N 329.838 2.908 0 50 EFAA CC1(C)CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC(C)(C)O1 408435981 SBOBQHZBIXLKRV-UHFFFAOYSA-N 326.466 2.679 0 50 EFAA C[C@H](CNC(=O)c1cccc(Br)c1Cl)[S@](C)=O 166863427 DYKHLFPSDMMCHZ-IWEMQMMOSA-N 338.654 2.599 0 50 EFAA O=C(CSCc1ccc(Cl)cc1)N1CCc2c(O)ncnc2C1 273235670 NHLWASAGMVLKBI-UHFFFAOYSA-N 349.843 2.654 0 50 EFAA Cn1cc(CCNC(=O)[C@H]2CCc3cn[nH]c3C2)c2ccc(F)cc21 274665815 HHJQQZCFDPQIMY-LBPRGKRZSA-N 340.402 2.504 0 50 EFAA Cn1nncc1CN1CCC(c2ccccc2Br)CC1 276093158 VWUWCHPPFXUZNO-UHFFFAOYSA-N 335.249 2.957 0 50 EFAA Cc1nc(C)c(C(=O)N2CCN(c3cncc4ccccc34)CC2)o1 170619113 WYGKVBJWYAOQBU-UHFFFAOYSA-N 336.395 2.802 0 50 EFAA CN(C(=O)CN1[C@H]2CC[C@H]1CNC2)C(c1ccccc1)c1ccccc1 662335769 QPXNPFWCMMUJOI-PMACEKPBSA-N 349.478 2.671 0 50 EFAA COc1cccc2c(N3CCn4c(nnc4C(F)(F)F)C3)ccnc12 189425581 OJGYUVJZLZLLIH-UHFFFAOYSA-N 349.316 2.874 0 50 EFAA CC(C)c1cccc(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1 1704343607 KUSBLGQZJKERAG-XLIONFOSSA-N 344.455 2.821 0 50 EFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 1134367 MPFSNAHWRVHXJR-XNFYSYIQSA-N 335.381 2.601 0 50 EFAA COc1cc(CCC(=O)N2CCC3(CC2)CO[C@H](C)C3)ccc1O 1772709555 QNGGBCUDGSXQBH-CQSZACIVSA-N 333.428 2.751 0 50 EFAA Cn1c(CNC(=O)C2CCCCC2)nnc1SCc1ccccn1 12190840 DFEVDQMYTPOCAU-UHFFFAOYSA-N 345.472 2.699 0 50 EFAA O=C(Nc1ccccc1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 12315733 UFLYFVQXDZDGNQ-INIZCTEOSA-N 327.359 2.748 0 50 EFAA Cc1cc(C)cc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c1 16839785 GPBIHTNPAVCZRU-LLVKDONJSA-N 333.331 2.509 0 50 EFAA CCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 19229107 GTJVKNDRTWRUMP-UHFFFAOYSA-N 340.427 2.982 0 50 EFAA FC(F)(F)Cn1nc(C2CCCC2)nc1[C@H]1CCc2ncnn2C1 1857672410 CBBCPDNTFPIYHZ-NSHDSACASA-N 340.353 2.820 0 50 EFAA COc1cc2nc(N3C[C@H]4C[C@@H](O)C[C@H]4C3)cc(C)c2cc1OC 1857681451 JYYZMVUULAJMKH-BTTYYORXSA-N 328.412 2.768 0 50 EFAA CCOCCOc1ccccc1-n1ccnc1-c1cnn2cccnc12 1857688403 HSSVIOQFBWIZIR-UHFFFAOYSA-N 349.394 2.997 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(c1nc(CO)cs1)CC2 1857697920 QXCVADLXTRJGES-UHFFFAOYSA-N 340.452 2.641 0 50 EFAA CN1C(=O)COc2ccc(NC(=O)c3cc(Cl)cc(F)c3N)cc21 225561586 XMDNXBXTCWEQQW-UHFFFAOYSA-N 349.749 2.669 0 50 EFAA COC[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 113592107 APORECACPBXEOD-PKOBYXMFSA-N 345.487 2.892 0 50 EFAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCC(N3CCCCC3=O)CC2)C1 328588292 AYYWMJARMKRWTF-NVXWUHKLSA-N 336.476 2.585 0 50 EFAA CO[C@]1(C)CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 331615204 SJEWBQYGXPWMSA-GOSISDBHSA-N 328.416 2.964 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)NCc1cccc(C(=O)O)c1 238214777 MNZFQWCLZHTNQB-KRWDZBQOSA-N 325.364 2.705 0 50 EFAA NC(=O)c1cnc(N2CC(Cc3ccc(F)c(F)c3)C2)c(Cl)c1 343869940 XBCRVGWLQRTWNS-UHFFFAOYSA-N 337.757 2.791 0 50 EFAA CC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1cc3c(cc1Cl)OCO3)C2 247935272 LCHLDMORHSUFEQ-OCCSQVGLSA-N 336.819 2.511 0 50 EFAA Cc1ccc(F)cc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 253426303 SNWILUZRBZAYBL-CYBMUJFWSA-N 336.432 2.975 0 50 EFAA CSC[C@@H](CCO)NC(=O)c1ccc(-c2csc(C)n2)cc1 253428528 ARJYBJWNFLOKGI-CQSZACIVSA-N 336.482 2.962 0 50 EFAA CN(C)CCN(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 156007229 XZIIWDPRQDSMFB-GFCCVEGCSA-N 339.308 2.771 0 50 EFAA COc1cccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1OC 907062387 DAZOVWQZDMHMBE-SNVBAGLBSA-N 335.372 2.560 0 50 EFAA CO[C@H]1CN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@](C)(C(=O)O)C1 907736290 FTLHZJVVCLXNKB-XIKOKIGWSA-N 333.384 2.739 0 50 EFAA O=C(N1CCC(Cc2ncc[nH]2)CC1)[C@@]1(c2ccccc2)CCCO1 935948584 RGGORFCFGRDDKO-FQEVSTJZSA-N 339.439 2.897 0 50 EFAA COC1(c2nccn2C)CCN(C(=O)[C@@H](C)c2ccccc2)CC1 952994097 PNLIUZHSIFYRTC-HNNXBMFYSA-N 327.428 2.688 0 50 EFAA CCOc1ccc(Cl)c(C(=O)N[C@H]2CNc3ccccc3C2)n1 1875267180 LSDFYUCIMQOAGC-GFCCVEGCSA-N 331.803 2.900 0 50 EFAA CC1(c2nc(Cl)cc(N3CCC(O[C@@H]4CCOC4)CC3)n2)CC1 1875294543 ILKFYCVOUBKLDE-CYBMUJFWSA-N 337.851 2.956 0 50 EFAA CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(O)nc(O)n1 1875267288 CIGUQVNIFAJSRX-CQSZACIVSA-N 349.818 2.893 0 50 EFAA CCc1cc2c(N3CC4(CC(NC(=O)CCF)C4)C3)ncnc2s1 1875344978 QQLMHNDRPXPANA-UHFFFAOYSA-N 348.447 2.698 0 50 EFAA CC1([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 1875310040 AOGQTZINNCLXAK-IRXDYDNUSA-N 341.455 2.725 0 50 EFAA C=CC(=O)N(Cc1c2c(nn1C)CCOC2)c1cc(C)cc(C)c1 1875382116 RIVGAGWKYXTDCW-UHFFFAOYSA-N 325.412 2.829 0 50 EFAA COC(=O)/C=C/CCNC(=O)CCc1ncc(-c2ccc(C)cc2)o1 1875311580 FUMFBHXDGYQNNW-HWKANZROSA-N 342.395 2.818 0 50 EFAA CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(S(C)(=O)=O)c1 877847290 VAZYHXSGFUEWOA-INIZCTEOSA-N 330.409 2.677 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C(F)(F)F 886082017 UGPLGTFUSHIBIJ-UONOGXRCSA-N 332.366 2.935 0 50 EFAA CN1C(=O)C[C@@H](CNc2nc3ccccc3n2C)[C@@H]1c1cccnc1 886035254 NKPAVJCAHRJPAQ-KSSFIOAISA-N 335.411 2.600 0 50 EFAA O=C(Cc1ccc2c(c1)COC2)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 887268753 UMHSBEQBNAKMSR-XVAYZXCPSA-N 348.446 2.506 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(CCc3cccc(Cl)c3)C2)n1 888076191 HGLYYRXBSAQSOO-KRWDZBQOSA-N 335.835 2.644 0 50 EFAA CCCCS(=O)(=O)Cc1nc2cc(-c3ccccc3)oc2c(=O)[nH]1 888096883 VTIXYFVJNFCUIK-UHFFFAOYSA-N 346.408 2.898 0 50 EFAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1cncc2ccsc12 2325822982 AGBGBGXXLYJEJA-UHFFFAOYSA-N 335.392 2.610 0 50 EFAA CC(C)(C)OC[C@H]1CCCN1c1ccc2nnc(C(F)F)n2n1 895656722 OLXWDCYVMILLOK-SNVBAGLBSA-N 325.363 2.846 0 50 EFAA C[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 110646579 WMGZWSJMMNZATI-KBXCAEBGSA-N 335.407 2.885 0 50 EFAA O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1Cc1ccccc1 107301 IQOCCMMKOYLEPB-UHFFFAOYSA-N 328.755 2.824 0 50 EFAA CCOC(=O)c1cnc(SC)nc1NCc1ccc(OC)cc1 383916 NSYZKHHFIPHURY-UHFFFAOYSA-N 333.413 2.996 0 50 EFAA COc1ccc(/C=C/C(=O)NCCOc2ccccc2OC)cc1 2991713 LAKMFTJKVYGEBL-FMIVXFBMSA-N 327.380 2.912 0 50 EFAA COc1ccccc1C(=O)C[C@]1(O)C(=O)N(C)c2ccc(Cl)cc21 4556193 FDYAFDBCPVSEJU-GOSISDBHSA-N 345.782 2.786 0 50 EFAA CCN1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 110814796 ZCPXXLAKARUGRE-UHFFFAOYSA-N 332.835 2.898 0 50 EFAA Cc1ccsc1CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CCCC1 55042681 IFQJYIUYXMASAG-AWEZNQCLSA-N 335.473 2.871 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1 55374403 GWKOSVNUWISQIM-SJORKVTESA-N 336.501 2.880 0 50 EFAA CSc1ccccc1NC(=O)CCC(=O)NC[C@H]1CCCCO1 55182515 XPQJEFKDJIYLQU-CYBMUJFWSA-N 336.457 2.813 0 50 EFAA O=C1COc2cc(C(=O)N[C@H](Cc3ccccc3)C3CC3)ccc2N1 135609127 TUPRMYMCDALZQD-QGZVFWFLSA-N 336.391 2.769 0 50 EFAA OCCCc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 55568885 USBLSVFOAXPQLS-HNQUOIGGSA-N 344.434 2.692 0 50 EFAA CCOc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 134106617 HZNBPHMOPZAWPL-CYBMUJFWSA-N 347.365 2.767 0 50 EFAA CNC(=O)c1ccc(-n2c(CCC(=O)O)nc3c(C)c(C)ccc32)o1 67540793 DVPZFBLAGXKVPK-UHFFFAOYSA-N 341.367 2.612 0 50 EFAA CNCCCCNC1CCN(c2cccc(-c3cnco3)c2)CC1 63857795 KRYHCSATKDYNAO-UHFFFAOYSA-N 328.460 2.900 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CCN1C[C@@H]2CC[C@H]1C2 67919740 JWOUBXUMKVJZMM-OCCSQVGLSA-N 330.407 2.535 0 50 EFAA Cc1ccc(OCCN(C)C(=O)c2nc(O)c3ccccc3n2)cc1 67643745 ZIRBNIFGKMGERQ-UHFFFAOYSA-N 337.379 2.795 0 50 EFAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccsc1)[C@@H](C)CC 63833722 CEIQYWDCFKFGKB-NSHDSACASA-N 337.445 2.742 0 50 EFAA CCCC[C@@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)O 20130845 CFLCTLPGOVFOTP-CYBMUJFWSA-N 348.424 2.802 0 50 EFAA CNc1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)ccn1 65434539 OIAHKBIYXGWUGV-UHFFFAOYSA-N 343.402 2.741 0 50 EFAA CCC[C@@H]1CCCN(C(=O)Cn2c(S)nc3ccccc3c2=O)C1 137761762 NWHJXVPPVQGUMC-CYBMUJFWSA-N 345.468 2.724 0 50 EFAA COc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccncc2)C1 67894782 NXZRSUYUQOUMIL-QGZVFWFLSA-N 339.439 2.732 0 50 EFAA C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)o1 229756931 NXKYOLIXMJVIPA-IPYPFGDCSA-N 326.462 2.812 0 50 EFAA O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCCO1 252507583 WOVBIQUYFURWSE-STQMWFEESA-N 325.206 2.590 0 50 EFAA COCc1cc(Oc2cccc3c2OC(C)(C)C3)n2ncnc2n1 253419107 MIMHASQQCBPMPF-UHFFFAOYSA-N 326.356 2.777 0 50 EFAA Cc1cc(N2CC[C@H](NC3CC(C)(c4ccccc4)C3)C2=O)n(C)n1 253425299 AUWJJKAZICVSLV-GNZRSQJKSA-N 338.455 2.544 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cc(C)n1 362871930 CNVIALRFSJVSBI-UHFFFAOYSA-N 327.793 2.556 0 50 EFAA CS(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 129989018 KFQGPYIJAPYCJU-UHFFFAOYSA-N 326.321 2.609 0 50 EFAA CCCOC(=O)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72418218 HDJYYERYLHOSPG-UHFFFAOYSA-N 347.371 2.565 0 50 EFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)CCC1CCCCC1)C2 72478549 NJYHXHVZJLHNRG-UHFFFAOYSA-N 347.459 2.993 0 50 EFAA CCCc1noc(CCCC(=O)N(C)c2nc3ccccc3n2C)n1 130199729 AQXAQZBZLPDSGD-UHFFFAOYSA-N 341.415 2.895 0 50 EFAA COc1cc(CN2CCC23CCC(CO)CC3)cc2c1OCCO2 367741192 PBFPZWMUGZFOHX-UHFFFAOYSA-N 333.428 2.593 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)CC2)OC1=O 72134700 CSVPEQOTZURWND-HNNXBMFYSA-N 338.795 2.574 0 50 EFAA O=C(O)c1cccc2c1N(S(=O)(=O)c1ccccc1Cl)CC2 369211598 AQYTWPZHDWVIDN-UHFFFAOYSA-N 337.784 2.790 0 50 EFAA COCCN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CCCO1 215401211 GIMWANWKWNNVEG-CYBMUJFWSA-N 337.851 2.854 0 50 EFAA CC(C)Oc1cccnc1C(=O)Nc1cccc(-c2ncn(C)n2)c1 126748363 MYJZQZSKZHDYNG-UHFFFAOYSA-N 337.383 2.917 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc3nccn23)C1 370731447 WWHPKKRAMSSDHW-INIZCTEOSA-N 326.400 2.730 0 50 EFAA COc1cccc(N2CCC(NC[C@@](C)(O)C(F)(F)F)CC2)c1 371440555 RXVIIBQRPIJGOX-OAHLLOKOSA-N 332.366 2.567 0 50 EFAA Cc1ccc(Cl)cc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 219603229 YRGCKNXOQZEPRN-INORYPFCSA-N 333.819 2.624 0 50 EFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)C1Cc2ccccc2C1 216021229 SKZWWZGOAGQIFX-IBGZPJMESA-N 338.455 2.667 0 50 EFAA COC1(c2ccccc2)CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 376280306 WEFHCYZLJIIMDZ-CYBMUJFWSA-N 327.428 2.904 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1Cc1cnc(-c2ccco2)nc1 216178973 NZKJONVMGZZCQP-INIZCTEOSA-N 335.363 2.748 0 50 EFAA CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnc(N)c(C)c1 1364792972 BDDAHCWAPYUNCA-UHFFFAOYSA-N 337.420 2.712 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1c1ccccc1 262920516 NXPXZAQKTDJJDU-IAGOWNOFSA-N 331.412 2.520 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2OC)c1 282315010 CGYHCOMTDLTQSB-WMZOPIPTSA-N 341.407 2.581 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1 240333261 FCMRYSREWQNVSY-KCXAZCMYSA-N 346.858 2.961 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2cnc3cnccn23)C1 131406132 WAEFRRZLDFTIQA-UONOGXRCSA-N 345.447 2.655 0 50 EFAA CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(O)ccc2Cl)C1 225473944 SOHZFWHCLOFZFB-GFCCVEGCSA-N 338.835 2.670 0 50 EFAA Nc1ccsc1C(=O)N1CCCN(Cc2ccccc2F)CC1 82121297 ZAAWZFSJWFWJSN-UHFFFAOYSA-N 333.432 2.818 0 50 EFAA CC[C@H](NC(=O)c1cnc2ccnn2c1C)c1nc(C)c(C)s1 426593802 OTLVCKZJCHGADO-ZDUSSCGKSA-N 329.429 2.992 0 50 EFAA CCOc1ccc([C@@H](C)N(C)C(=O)NCCc2csc(N)n2)cc1 426412619 AZIUPUQIXGZZRK-GFCCVEGCSA-N 348.472 3.069 0 50 EFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1scnc1C 223849331 YUHSALUQWIFLJI-HUUCEWRRSA-N 338.473 2.641 0 50 EFAA CN1CSC[C@H]1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 82087487 DSWPWWGVWDAPLK-HNNXBMFYSA-N 340.876 2.715 0 50 EFAA Cc1nc2ccc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)cc2[nH]1 221417198 CHDBMMUELJLKSR-UHFFFAOYSA-N 336.395 2.957 0 50 EFAA COC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1scc2c1CCCC2 82107119 BEYDRWSXQYOTLN-RYUDHWBXSA-N 340.420 2.536 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccnn1-c1ccc(Cl)cc1 289069640 BJKSPHQWTBKRGH-GFCCVEGCSA-N 332.791 2.523 0 50 EFAA O=C(/C=C/c1nc2ccccc2s1)N1CCC(c2nc[nH]n2)CC1 83009406 XSSZPNAJLBOHPV-AATRIKPKSA-N 339.424 2.834 0 50 EFAA CC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2 20607590 UYHMJRQUHOFACD-JTQLQIEISA-N 341.337 2.714 0 50 EFAA C[C@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)n1cncn1 177682319 WSROJFMCLOXJSB-SECBINFHSA-N 325.199 2.731 0 50 EFAA CCc1nc(CN2CCC[C@H](c3nccn3CCOC)C2)cs1 92062258 FGCWWBWMJADCAU-AWEZNQCLSA-N 334.489 2.928 0 50 EFAA Cn1cnc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccccc4)C3)ccc21 91943684 LIWDEVODAPMRFM-JKSUJKDBSA-N 349.390 2.514 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 97213243 NLQUEGUDYHHHDU-SFHVURJKSA-N 336.395 2.727 0 50 EFAA CCCn1nc(-c2ccncc2)nc1Cn1cnc2ccccc2c1=O 95501472 HYCYFSOWJGYBPI-UHFFFAOYSA-N 346.394 2.508 0 50 EFAA CN1CCCN(C(=O)Nc2ccccc2OCc2ccccn2)CC1 95504233 MVPXLCMNSXAGGH-UHFFFAOYSA-N 340.427 2.830 0 50 EFAA CCN(CCn1cccn1)C(=O)c1ccc([C@H]2CCCNC2)cc1 95366468 HJCLAJMKYNRTRS-SFHVURJKSA-N 326.444 2.512 0 50 EFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 142697799 IXZYPWSSMCPTGE-SECBINFHSA-N 336.351 2.807 0 50 EFAA CC(C)(C)c1ccccc1OCC(=O)N1CCC(F)(F)[C@H](CO)C1 290980933 APVYNOPUFWBWPT-ZDUSSCGKSA-N 341.398 2.839 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1C)CC2 91987003 NGRRDLARUMKJDD-UHFFFAOYSA-N 330.428 2.565 0 50 EFAA Cc1cc2c(NC(=O)N(C)Cc3nc(C4CC4)no3)cccc2nn1 95523970 YYFMAAMAMAHTIN-UHFFFAOYSA-N 338.371 2.863 0 50 EFAA Cc1ccc2nc(C(=O)N(C)Cc3cc(-c4cccnc4)no3)cn2c1 91364618 ADHAKSLOAGELKF-UHFFFAOYSA-N 347.378 2.965 0 50 EFAA CCc1nc(CN2C[C@H](C3CC3)[C@@H](NC(=O)C3CCC3)C2)cs1 91444487 VAMSIRKINKAMNF-CVEARBPZSA-N 333.501 2.832 0 50 EFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccnn1C1CCCCC1 96500260 SOTGDQPDXRIUBF-ZDUSSCGKSA-N 345.447 2.521 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(C(=O)O)CC1 95500875 SUILAQHTQXWWSA-UHFFFAOYSA-N 328.412 2.959 0 50 EFAA Cc1n[nH]c(C)c1CN1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91830519 STIAOOZQBQASGK-LJQANCHMSA-N 330.476 2.784 0 50 EFAA O=C1[C@H]2CC[C@H](CN(CCc3ccccc3)C2)N1Cc1cscn1 95518565 TYNGFRZEHUCOFH-FUHWJXTLSA-N 341.480 2.809 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CNc1ccccc1Cl 239415440 UMDAVQUXEITNGP-GMKMDLSASA-N 328.799 2.763 0 50 EFAA COCCc1noc(CN2CCCC[C@H]2CCc2ccccn2)n1 244887894 YQECSGLQKFBTQO-INIZCTEOSA-N 330.432 2.641 0 50 EFAA O=C(Nc1ccc(CN2CCCCCC2)cc1)[C@]1(O)CCSC1 179675310 ZKNLXZZOBYLSQC-SFHVURJKSA-N 334.485 2.869 0 50 EFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cnc(C)cc2C)c1C 244633186 FYQPFHPBLWDBJM-ZDUSSCGKSA-N 342.443 2.982 0 50 EFAA COCc1ccsc1C(=O)N[C@H]1CCN(c2ccccc2OC)C1 182377139 KQWUPRDNRUVFBY-AWEZNQCLSA-N 346.452 2.912 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccc3cncn3c2)Cc2ccccc2O1 297591810 RRLNXSKYWBUIGN-CQSZACIVSA-N 336.395 2.827 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)Nc2cccc3nn(C)nc23)c1 1940193751 YSEVDDGYQFMZDF-UHFFFAOYSA-N 348.366 2.619 0 50 EFAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)Cc1cccs1)C2 299781975 VCBYSNFDWTWIOD-UHFFFAOYSA-N 342.468 2.574 0 50 EFAA O=C(C1CCC1)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 670452002 VZUNONBGIWIUFF-UHFFFAOYSA-N 327.350 2.545 0 50 EFAA CN1C(=O)C[C@@H](CNc2ncc(Cl)cc2F)[C@@H]1c1ccncc1 886082154 FFUAVKFMDVXOMY-NHYWBVRUSA-N 334.782 2.901 0 50 EFAA CCCN1C[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)CCC1=O 952986329 GXCUCFMGNYWWRX-QGZVFWFLSA-N 343.471 2.870 0 50 EFAA Cc1cc2nc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc(C)n2n1 952966127 HHCIEFTVEMQDKN-KRWDZBQOSA-N 336.395 2.560 0 50 EFAA Cn1ccnc1CN(CCO)C1CCN(c2ccccc2Cl)CC1 952971279 ILXLIDLIJGDAHZ-UHFFFAOYSA-N 348.878 2.537 0 50 EFAA O=C(Nc1ccc(Cl)nc1)N1CCCN(Cc2cccnc2)CC1 95501108 VUCJVLJAKGLLDI-UHFFFAOYSA-N 345.834 2.870 0 50 EFAA C[C@H]1CN(CCCCNc2ncc(Br)cn2)C[C@@H](C)O1 267906461 DJVRVLCGTYLNDU-TXEJJXNPSA-N 343.269 2.540 0 50 EFAA CN(CCN(C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1 408520999 FECITWNTLLMPIJ-UHFFFAOYSA-N 329.488 2.839 0 50 EFAA O=C(Cc1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 270862916 LXFIYCJLKDUDSQ-LBPRGKRZSA-N 346.381 2.909 0 50 EFAA COCC1=CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)CC1 185802583 BKTNBUTZASBHBI-UHFFFAOYSA-N 336.819 2.763 0 50 EFAA O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)c(O)c(F)c1 186985078 XELAAUSOSRIAHG-UHFFFAOYSA-N 347.365 2.712 0 50 EFAA O=C(CNC(=O)c1scnc1C1CCCC1)Nc1cccnc1 170595135 NYPGNGBIDDHMHK-UHFFFAOYSA-N 330.413 2.564 0 50 EFAA N#CCc1ccc(OCC(=O)NNc2cccc3cnccc23)cc1 170684251 BLRRXFLUUITTGG-UHFFFAOYSA-N 332.363 2.823 0 50 EFAA CCn1cc(C2CCN([C@@H](C(=O)O)c3cccc(OC)c3)CC2)cn1 634691928 QZZWETRRPYQSMT-GOSISDBHSA-N 343.427 2.917 0 50 EFAA CO[C@H](C)CNC(=O)Nc1ccc(I)cc1C 189648295 LRABPKGZPYZVIC-SECBINFHSA-N 348.184 2.756 0 50 EFAA COc1ccc2cccc(CC(=O)N3CC[C@@](C)(C(=O)O)C3)c2c1 191044652 GNGOSEQTSDQPCP-LJQANCHMSA-N 327.380 2.714 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1csc(Cl)c1)CC2 191756386 FJMCORKNWNDNLY-NWDGAFQWSA-N 329.849 2.794 0 50 EFAA CCOc1nc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)co1 681330908 YSFDHZWMTISJLT-ZDUSSCGKSA-N 340.383 2.728 0 50 EFAA CC(C)(C)n1cc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cn1 195113823 VYLXYZFWFNCYDZ-NSHDSACASA-N 332.370 2.851 0 50 EFAA Cc1ccc(CN(CCO)C[C@@H]2CCCO[C@H]2c2nccn2C)cc1 667968405 PRKLXOJVBSDZGG-RBUKOAKNSA-N 343.471 2.691 0 50 EFAA CCc1nn(C)c2n[nH]c(NC(=O)c3scnc3C(F)(F)F)c12 654799396 IWGOUXQLUOSGIY-UHFFFAOYSA-N 344.322 2.586 0 50 EFAA Cc1nn(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(C)c1Cl 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XNDBYVHEEAZJSE-KBXCAEBGSA-N 349.390 2.587 0 50 EFAA Cc1ccc([C@H](NC(=O)N2C[C@H](C)[C@](C)(CO)C2)C(F)(F)F)o1 667300758 ZBCMJZZDETVMRC-WFBYXXMGSA-N 334.338 2.851 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCOc2ccc(F)cc2C1 263539162 QATQSTHGPNNHQK-UHFFFAOYSA-N 343.354 2.878 0 50 EFAA O=C(O)C1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 263575037 OHTYIARKXDWFTF-QMMMGPOBSA-N 348.346 2.733 0 50 EFAA Cn1cc(Br)c(CNC(=O)[C@@H]2CCc3ccccc3C2)n1 393637157 YXOSCJUWBCDOBH-CYBMUJFWSA-N 348.244 2.604 0 50 EFAA COc1cc(-c2cccc(CN3CCN(C(C)=O)CC3)c2)ccc1N 864545205 GIOXAVSPWBDTBS-UHFFFAOYSA-N 339.439 2.609 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2c2nn[nH]n2)cc1 952880283 CFWPWUHHQITKPW-FZMZJTMJSA-N 330.392 2.746 0 50 EFAA O=C(c1cccc2c1OCC2)N1CC[C@@H](c2ccccc2)S1(=O)=O 1875283911 HKXOJGXNYQYIOI-INIZCTEOSA-N 343.404 2.539 0 50 EFAA Cc1scc(CNC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)c1C 896097389 LTEFDFSYRFXCJA-RHSMWYFYSA-N 346.452 2.906 0 50 EFAA CC(=O)N(C)Cc1cn(-c2ccc(Br)cc2Cl)nn1 899696533 XRCNERHGAAYYQT-UHFFFAOYSA-N 343.612 2.662 0 50 EFAA CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC23CCNCC3)c1 2325768421 UQJNUUAOXSGWJK-KSSFIOAISA-N 343.471 2.992 0 50 EFAA O=C(O)c1ncoc1[C@@H]1CCCN(C(=O)C2(c3cccs3)CC2)C1 2325784450 GVKOUOFROFWREX-LLVKDONJSA-N 346.408 2.872 0 50 EFAA CCOc1ccc(CN2C[C@@H](CC(=O)O)OCC2(C)C)cc1F 2325788282 WLAQTNIBQKICNB-CYBMUJFWSA-N 325.380 2.679 0 50 EFAA CC[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](c2cn(CC(F)(F)F)nn2)C1 2325826845 OHNIHSCFHHYMNW-FRRDWIJNSA-N 344.381 2.983 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C3CCCC3)C2)n[nH]1 938950342 XUBGHRQXRZWHCR-HIFRSBDPSA-N 346.475 2.690 0 50 EFAA COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 28536 FKJKSILMIHNWTP-UHFFFAOYSA-N 340.404 2.959 0 50 EFAA CC(C)(C)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 614804 MZFCACHOYHQUGT-UHFFFAOYSA-N 328.412 2.729 0 50 EFAA CN(C)c1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 2494614 SCMTWVFQAFMIAU-UHFFFAOYSA-N 331.803 2.661 0 50 EFAA CN(Cc1ccccc1)C(=O)c1cc2ncc(Br)cn2n1 2881988 CMTSEFOXYKSLAH-UHFFFAOYSA-N 345.200 2.764 0 50 EFAA O=C(C1CCOCC1)N1CC[C@H]2[C@@H]1CCN2C/C=C/c1ccccc1 2356168371 AMPSUKDADOEGMB-HFEMZURISA-N 340.467 2.802 0 50 EFAA CCSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 4072016 UQZBARSQABXYCF-UHFFFAOYSA-N 325.415 2.920 0 50 EFAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 8235094 UDFOQLLVBHKTPJ-UWVGGRQHSA-N 345.226 2.815 0 50 EFAA COCCN(CCOC)Cc1c(C)nc2c(C)c(C)ccc2c1O 8579510 ASVNSNPVRKVHPG-UHFFFAOYSA-N 332.444 2.960 0 50 EFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 230187111 RXEVLTHIOOGXHY-JQHSSLGASA-N 342.439 2.748 0 50 EFAA CSC[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 173632689 NJYBASNISPPMAX-GDBMZVCRSA-N 334.485 2.797 0 50 EFAA CCCn1nccc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 55385679 YPMBBIASLFNEFU-INIZCTEOSA-N 328.416 2.510 0 50 EFAA CN(Cc1cnn(C)c1)C[C@@H]1CCCN(CCc2ccccc2F)C1 20539787 MYLMLKJTNSTWGS-KRWDZBQOSA-N 344.478 2.946 0 50 EFAA CC[C@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(OC)c2)CC1 67473048 LYFAVUWTQYWVEG-KRWDZBQOSA-N 343.427 2.562 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1ncccc1O 328648394 UKXMESSFMJYIDP-STQMWFEESA-N 349.431 2.533 0 50 EFAA NC[C@@H]1CCC[C@H]1NC(=O)C1(c2ccccc2Cl)CCOCC1 238021598 HLCWRYANRWRHST-XJKSGUPXSA-N 336.863 2.632 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N1CCN(C)C2(CCN(C)CC2)C1 67742980 RWFHTNJLQSKTNR-UHFFFAOYSA-N 333.476 2.563 0 50 EFAA CCOC(=O)N1CCC(NCC2CCN(C3CCCC3)CC2)CC1 65432639 FYAICSKJECJUJF-UHFFFAOYSA-N 337.508 2.852 0 50 EFAA O=C1NCC[C@@H]1Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 432514148 LVVQFQFPQRVHRL-NSHDSACASA-N 339.182 2.876 0 50 EFAA O=C(NCc1nc(-c2ccccn2)no1)c1ccccc1N1CCCC1 65410564 UPPWFLDAYWUEEN-UHFFFAOYSA-N 349.394 2.662 0 50 EFAA O=c1[nH]nc([C@H]2CCCN(Cc3csc(C4CCCC4)n3)C2)o1 283918932 GJWHHSULEPTRHG-LBPRGKRZSA-N 334.445 2.857 0 50 EFAA Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)sc2cc(F)ccc12 331808578 WXWVQNNZHPBJMR-OAHLLOKOSA-N 341.429 2.656 0 50 EFAA CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)O)c(C)c2)C1 236705926 DDRXDXIZYIPXFK-ZDUSSCGKSA-N 332.400 2.670 0 50 EFAA CC(C)[C@@H]1CN(c2cc(N)ncn2)CCCN1Cc1ccc(F)cc1 71746201 JFQOQECGUNSBSN-KRWDZBQOSA-N 343.450 2.935 0 50 EFAA C[C@@]1(NC(=O)Nc2c[nH]nc2-c2nccs2)CCO[C@H]1C1CC1 333501062 CTGRTEALWBZCTP-SWLSCSKDSA-N 333.417 2.612 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)N)cnn1-c1ccc(F)cc1 237390418 MDOWGELZMMYKSC-PXAZEXFGSA-N 330.407 2.662 0 50 EFAA CCCN1CC2(CCN(Cc3csc(C)n3)CC2)C[C@H]1C(=O)O 72122272 PRFSTDVACKVUKE-HNNXBMFYSA-N 337.489 2.603 0 50 EFAA COc1cc(OC)c(CN(C)CCN2CCCCC2=O)cc1Cl 215033012 VTUKOVABEDJGKV-UHFFFAOYSA-N 340.851 2.802 0 50 EFAA C[C@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(C(F)(F)F)cc1 237538710 WHOFHJMDKHAVMK-MFKMUULPSA-N 345.317 2.511 0 50 EFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@H]1CCC[C@@H](N(C)C)C1 252487395 WLHVBWVYAWKUHF-SPUZQDLCSA-N 333.476 2.671 0 50 EFAA COC(=O)[C@H]1CC12CCN(C(=O)Nc1ccc3nc(C)oc3c1)CC2 240471661 GDPJTDOLPDVNMD-CYBMUJFWSA-N 343.383 2.943 0 50 EFAA Cc1cccc(-n2cc(CN3CCN(C4CCCC4)C(=O)C3)cn2)c1 215783499 YVNOTWLWRRCLOS-UHFFFAOYSA-N 338.455 2.768 0 50 EFAA CC(C)=CC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72432709 TYAFUOGKMJKPRH-UHFFFAOYSA-N 335.375 2.925 0 50 EFAA C[C@H](NC(=O)C(F)(F)Cl)C(=O)Nc1cccc(N2CCCC2)c1 153006264 PSHCWQUCSXOVSP-JTQLQIEISA-N 345.777 2.562 0 50 EFAA CC(C)OCc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 363138257 RBYMOUIMSZHOJM-QGZVFWFLSA-N 345.443 2.887 0 50 EFAA CCc1cc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)ncn1 72148790 AVKHEHAGJGSFSB-INIZCTEOSA-N 340.427 2.891 0 50 EFAA c1ccc(C2CC(NCc3ccncc3OC[C@H]3CCOC3)C2)nc1 368136441 VEHQYQFOADEGDI-ZLPCBKJTSA-N 339.439 2.928 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)on1 368201764 OABCPWRAEVCSCX-ZDUSSCGKSA-N 326.356 2.547 0 50 EFAA O=C(c1cc2ccccc2nc1O)N1CCC[C@@H]2CNCCC[C@H]21 373552263 PORPKRFTRURLEC-RHSMWYFYSA-N 325.412 2.545 0 50 EFAA c1cc(C2CCN(Cc3cnc(N4CCOCC4)s3)CC2)ccn1 72432380 KEUMTTPZVKQHDG-UHFFFAOYSA-N 344.484 2.754 0 50 EFAA Cn1cc(C(N)=O)cc1C(=O)N1CC=C(c2cccc3ccccc23)C1 378608806 NZPHPSOAHLIYGU-UHFFFAOYSA-N 345.402 2.817 0 50 EFAA O=C(O)CCCNC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 263498423 UNXQADMGSALSPH-UHFFFAOYSA-N 349.362 2.721 0 50 EFAA COCCc1nsc(NC[C@@H](c2c(F)cccc2F)N(C)C)n1 176931758 LLINLLAPZKBIPS-LBPRGKRZSA-N 342.415 2.720 0 50 EFAA C[C@H]1CN(CCC2CCN(CCc3cccnc3)CC2)C[C@H](C)O1 177495148 RJECFJZGCIKZKD-ROUUACIJSA-N 331.504 2.835 0 50 EFAA c1ccc(-n2cnnc2CC2CCN(C[C@H]3CCOC3)CC2)cc1 82116171 DCFHBQGGPJIKOB-QGZVFWFLSA-N 326.444 2.558 0 50 EFAA Cc1ccc(C(=O)Cn2cc(-c3ccc4c(c3)OCO4)n(C)c2=N)cc1 334157605 REUBGZFSRDMXPR-UHFFFAOYSA-N 349.390 2.893 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(C)Cc2nc3ccc(F)cc3[nH]2)n1 426496834 HNWBPAPJPGMXQQ-LBPRGKRZSA-N 341.390 2.941 0 50 EFAA COCCC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1 91434099 KVTCFPHGYCSHLN-NSHDSACASA-N 333.354 2.718 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)c1C 95373844 XCOJLYJGLCLOOE-SFHVURJKSA-N 328.460 2.747 0 50 EFAA O=C(NCc1cc(-c2ccco2)on1)c1cc(=O)[nH]c2ccccc12 91526681 PEDIAEKYVRMECZ-UHFFFAOYSA-N 335.319 2.706 0 50 EFAA COC(=O)c1cccc(Br)c1I 238401395 UVSNHIBMLWUZCP-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NC[C@@H](O)c1ccc(F)cc1 91390953 NEPLTFPQFWARNE-QGZVFWFLSA-N 333.407 2.704 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1CCc3ccccc31)CC2 91736834 AHFQISRKDDISIA-KRWDZBQOSA-N 340.467 2.968 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)N[C@@H]1C=CS(=O)(=O)C1 96152975 LWEUYKLHLWPZIT-SNVBAGLBSA-N 344.820 2.561 0 50 EFAA CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 239637127 BIZLPEILTGXKRV-IJLUTSLNSA-N 344.381 2.640 0 50 EFAA CCc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2C)C1 91657442 WPHVSRGQGRLPLX-LSDHHAIUSA-N 342.395 2.794 0 50 EFAA CCN(CC)CCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95387289 FHUZLOOHXDNUFA-QGZVFWFLSA-N 332.444 2.823 0 50 EFAA COC(=O)[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccnc1 183039910 YIYFUXXFZWBGOX-WBVHZDCISA-N 345.830 2.818 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1c[nH]nc1-c1cccc(F)c1)CC2 299760153 SDBSTTPYABZKOZ-JENIJYKNSA-N 345.418 2.720 0 50 EFAA COc1cccc(-c2cc(-c3ccco3)nc(N3CC[C@H](N)C3)n2)c1 824789978 OSGHVVITEJCIMV-AWEZNQCLSA-N 336.395 2.950 0 50 EFAA C[C@H](NC(=O)c1cccc2c1CCC2=O)c1nc(-c2cccnc2)no1 670473786 ZGGXYYZZQPJHLI-NSHDSACASA-N 348.362 2.752 0 50 EFAA Cc1ccccc1O[C@@H](C(=O)NC1(C(N)=O)CCCCC1)C(C)C 670461617 FLQDQSPVQQAYBC-MRXNPFEDSA-N 332.444 2.703 0 50 EFAA CCNc1nccnc1N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952850368 LWCKVQHCQXOGAE-KGLIPLIRSA-N 339.447 2.534 0 50 EFAA O=C(Nc1nc(-c2cccnc2)cs1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2CO 1875291314 VBXTZHFUZICVMU-YIYPIFLZSA-N 344.440 2.734 0 50 EFAA CCOc1cccc(CCNC(=O)[C@@H](CO)c2ccc(F)cc2)c1 1875312117 HSBNPANYQBVMHN-SFHVURJKSA-N 331.387 2.659 0 50 EFAA COCc1cccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)c1 886035916 RXIOCPOHIPOHMN-HOTGVXAUSA-N 344.377 2.864 0 50 EFAA Cc1ncc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C)n1 886079920 CILYNNFRCDENMW-XLWVJDPXSA-N 329.448 2.645 0 50 EFAA COC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCOC1 894852801 QGFIJBPHGYPJPN-OCCSQVGLSA-N 347.333 2.757 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(c3nc(C)ns3)CC2)n1 895296052 VKLHWKBZNCMTKS-KGLIPLIRSA-N 349.460 2.717 0 50 EFAA Cc1cnc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)s1 1775986723 QUFLKRSGDQGPMU-CQSZACIVSA-N 340.412 2.749 0 50 EFAA CC1(C)CC[C@H](CCNC(=O)Nc2cnn(-c3ccncc3)c2)OC1 1775994621 HLNKGKVXRTZFML-MRXNPFEDSA-N 343.431 2.984 0 50 EFAA C[C@@H](CC(=O)N1CCC(O)(Cc2cc[nH]n2)CC1)c1ccc(F)cc1 1776005173 BEBXYCKHPRCFQO-AWEZNQCLSA-N 345.418 2.639 0 50 EFAA CN(c1nnc([C@@H]2CCCOC2)n1CCc1cccnc1)C1CCC1 1401527574 TYBAEVDHIHGOPO-MRXNPFEDSA-N 341.459 2.799 0 50 EFAA COC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 165800479 JCNPMRGNMAMAJJ-MRXNPFEDSA-N 344.367 2.980 0 50 EFAA O=C(NCC1(O)CCCCC1)Nc1ccncc1Br 272675526 MDJFGLRLCRQWBS-UHFFFAOYSA-N 328.210 2.661 0 50 EFAA CN1CCN(C(=O)CCOCC(F)(F)C(F)F)Cc2ccccc21 276574909 FQVXOLFMSKOLAW-UHFFFAOYSA-N 348.340 2.772 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCC(Oc2ccccc2F)CC1 633935766 NTIKUAMBWLMBBK-UHFFFAOYSA-N 330.359 2.918 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1scnc1C)C2 171684990 CBMSZJKNKWAQEI-CYBMUJFWSA-N 332.425 2.670 0 50 EFAA C[C@H](c1nnnn1C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 189605317 GZVYULINCAHZTM-SNVBAGLBSA-N 346.822 2.945 0 50 EFAA Cn1c(=O)oc2cc(NC(=O)N3CCC([C@H]4CCCO4)CC3)ccc21 190121649 KJDNJJTTWWQGBX-OAHLLOKOSA-N 345.399 2.554 0 50 EFAA CO[C@]1(c2nnc(CN3CC(C)(C)Oc4ccccc43)o2)CCOC1 644254965 SHPYPANUVSUEIM-GOSISDBHSA-N 345.399 2.509 0 50 EFAA O=C(O)c1coc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 191634143 CRZBVHBMNNVZCA-DOMZBBRYSA-N 329.352 2.876 0 50 EFAA O=C1CC[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)N1 192072784 XNXATZSJJYACJC-LLVKDONJSA-N 346.736 2.743 0 50 EFAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C1CC2(CCC2)C1 648321482 TWKLSWLXTUUIIG-SFHVURJKSA-N 340.467 2.917 0 50 EFAA Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1C(=O)NCC[C@H]1C 194125394 PEKJYHBZEWCXHS-ZWNOBZJWSA-N 344.440 2.765 0 50 EFAA CCC(CC)n1nccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 1506404691 IDXXKJQAOPRCHG-UHFFFAOYSA-N 335.429 2.900 0 50 EFAA CC(C)C[C@H](NC1CCN(Cc2ccco2)CC1)c1ncnn1C 1506424627 KWKVWIGPIRHRSG-KRWDZBQOSA-N 331.464 2.750 0 50 EFAA O=C(Nc1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212082934 CXPMILCVIZKETA-CVEARBPZSA-N 340.379 2.798 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 13124690 XEUWTDBMZRSHIB-CQSZACIVSA-N 336.351 2.508 0 50 EFAA Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)c1C 13744880 UYOYXSCXSOZXFY-QGZVFWFLSA-N 339.439 2.815 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@@H](C)O1 13838729 MNFOEQCBQZQOTM-AOOOYVTPSA-N 345.180 2.541 0 50 EFAA O=C(O)c1ccc(I)c(OC(F)(F)F)c1 16159785 YZYRBLQNCPKVHL-UHFFFAOYSA-N 332.015 2.888 0 50 EFAA Cc1ccccc1CNC(=O)c1ccc2c(c1)N(C)[C@H]1CCCN1C2=O 169765911 NLTJEHORERJOJF-LJQANCHMSA-N 349.434 2.937 0 50 EFAA O=C(c1cccc(-c2ccccc2)c1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857727985 INFMAYGBEGESQV-GPQLQYNLSA-N 349.430 2.966 0 50 EFAA Cc1cc(F)ccc1CN1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857738855 BLVIYAMYJNOQFX-SCTDSRPQSA-N 332.419 2.692 0 50 EFAA Cc1cccnc1[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C 225356193 KGRCWQBQJSZZAI-BFYDXBDKSA-N 344.459 2.540 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225678274 QDVOLECOEYSWJM-RHSMWYFYSA-N 346.402 2.816 0 50 EFAA Cc1ncc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCCN(C)C1 636270618 GJNPHNKOMWUPKH-GFCCVEGCSA-N 329.366 2.871 0 50 EFAA Cc1nc(O)c2c(n1)CN(c1ncnc3sc4c(c13)CCCC4)C2 641687834 LPEVDNLODMERHC-UHFFFAOYSA-N 339.424 2.894 0 50 EFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CC(F)(F)F 252008446 QLENLIYQYXZGSD-OLZOCXBDSA-N 345.365 2.667 0 50 EFAA COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]43 252441072 CZLWGXKWXLVFJU-VOZFDMMCSA-N 338.451 2.786 0 50 EFAA biogenic C[C@@H]1CN(Cc2cccc3c[nH]nc23)C[C@H]1NC(=O)OC(C)(C)C 497056051 RBBOSLWWLFSSEA-IUODEOHRSA-N 330.432 2.908 0 50 EFAA Cc1cc(C(F)(F)C(=O)N2CC[C@]3(CCOC3)C2)cnc1Cl 934531348 TUINWBPXWJCQDZ-AWEZNQCLSA-N 330.762 2.774 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)C1CC2(C1)CC2(F)F 851604655 CQMAOIYASJRFDT-WBFHCKIUSA-N 327.302 2.546 0 50 EFAA Oc1nc(C2CC2)nc2c1CCC21CCN(C2CCOCC2)CC1 2100478146 VEJGXDVMZPLJJP-UHFFFAOYSA-N 329.444 2.518 0 50 EFAA O=C(O)[C@H](CCSc1ccccc1)N1C(=O)c2ccccc2C1=O 330303 GFFKHQSBGGYCRF-HNNXBMFYSA-N 341.388 2.918 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2csc3nccn23)N(C)C)cc1 2325766287 TVHBCFCTUHJRRI-AWEZNQCLSA-N 328.441 2.737 0 50 EFAA COc1ccc([C@@H](CC(=O)NC(C)(C)c2cnn[nH]2)C(F)F)cc1 2325773567 YODCUJRIPVISRX-GFCCVEGCSA-N 338.358 2.604 0 50 EFAA O=C1C[C@H](CC(=O)Nc2ccc(OCC3CC3)cc2F)CCCN1 2325776341 AQBFNUSXNZHYJG-CYBMUJFWSA-N 334.391 2.859 0 50 EFAA NS(=O)(=O)c1cc(CNC23CCC(F)(CC2)C3)ccc1Cl 2325777803 GRMFJVKDCIBPNJ-UHFFFAOYSA-N 332.828 2.502 0 50 EFAA Cn1ncc(C(=O)N[C@H]2CCNc3ncccc32)c1Cc1ccccc1 2325795166 LFFMZHKLOIJAHO-KRWDZBQOSA-N 347.422 2.693 0 50 EFAA CN(C)[C@H]1C[C@H](c2nc([C@@H]3CCOC3)nn2-c2cccc(F)c2)C1 2325848157 AQLVBUZCAFAPGW-XJKCOSOUSA-N 330.407 2.718 0 50 EFAA COc1ccccc1N1C(=O)C[C@H](Sc2nc(C)cc(C)n2)C1=O 85292 MRGWLTFYAOXDIN-AWEZNQCLSA-N 343.408 2.526 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 155281 ZSRMMWHAYDUQDC-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1C(N)=O 369139 GJAIXTCRPDWCKV-MNOVXSKESA-N 338.429 2.547 0 50 EFAA COc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1OC 474067 RZTGNFGSUVIMKY-UHFFFAOYSA-N 344.386 2.805 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(F)(F)F)cc1 1066264 IRBJOIZVPYUWOM-LBPRGKRZSA-N 338.289 2.759 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@]23CCCNC3=O)c1 2356160078 BZZVBMZLPZNBIW-HXUWFJFHSA-N 338.455 2.938 0 50 EFAA Fc1cc(F)cc(NC(=S)N2CCN(c3ccccn3)CC2)c1 4741388 TXZIXTICHOLUBE-UHFFFAOYSA-N 334.395 2.879 0 50 EFAA Cc1ccc2c(c1)N(CC(=O)Nc1cccc(F)c1C)C(=O)CO2 10820552 ZZGMHEISIJFCKV-UHFFFAOYSA-N 328.343 2.807 0 50 EFAA CCc1oc(C(=O)N[C@@H](C)Cc2cnccn2)cc1CN1CCCC1 55088074 BDZLCZPFKKKDEE-AWEZNQCLSA-N 342.443 2.589 0 50 EFAA Cc1ccc(C)c(OCC(=O)NCCC(=O)NC2CCCCC2)c1C 55281480 BYCQHZIQSDIAMN-UHFFFAOYSA-N 346.471 2.946 0 50 EFAA CCn1cnc(NC(=O)N2CCC[C@@H](Oc3ccc(F)cc3)C2)n1 20535226 GHZXEZMRUDKZAM-CQSZACIVSA-N 333.367 2.512 0 50 EFAA Cc1nn(CC(=O)O)c(C)c1-c1ccc([C@@H](C)N2CCOCC2)cc1 67459544 KGWIRGZVTQRVDZ-CQSZACIVSA-N 343.427 2.645 0 50 EFAA CCc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)o1 328645167 SBACARHPWOAQCU-CQSZACIVSA-N 346.431 2.660 0 50 EFAA CNC(=O)Cc1ccc(-c2noc(C3(OC)CCCCC3)n2)cc1 424251149 XSVYUQBTTFWONY-UHFFFAOYSA-N 329.400 2.831 0 50 EFAA C[C@H](N)CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 430758996 CAODDPVXYNREHT-GUYCJALGSA-N 340.402 2.770 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2cn3ccsc3n2)n(C)n1 65489551 ZDLPWUNEUIXWJR-NSHDSACASA-N 331.445 2.819 0 50 EFAA Cn1ccnc1CN(Cc1ccncc1Cl)[C@@H]1CC12CCNCC2 435693040 IFVBVFZQZWEHBH-MRXNPFEDSA-N 345.878 2.613 0 50 EFAA CC[C@@H]1CN(C(=O)c2csc(C(C)(C)C)n2)C[C@]2(CCOC2)O1 330049018 JACJNZZTOBKKGY-PXAZEXFGSA-N 338.473 2.851 0 50 EFAA c1ccc(-n2nc(C3CC3)nc2CCn2nnc3ccccc32)nc1 65419823 LRYIZAXTAGKXGC-UHFFFAOYSA-N 331.383 2.527 0 50 EFAA O[C@@]1(CNCCc2c[nH]c3ccccc23)CCCN2CCCC[C@@H]21 67947560 QFIOFJHONUSTIG-WOJBJXKFSA-N 327.472 2.679 0 50 EFAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2c1cnn2cccnc12 65431915 DQQWJOGSESEYBF-ZDUSSCGKSA-N 344.378 2.604 0 50 EFAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1 67821259 UUQRJFZFWAKZQT-NSHDSACASA-N 327.413 2.881 0 50 EFAA Cc1cccc([C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(F)(F)F)c1 332571496 WOYKDCWGXGRTMJ-RISCZKNCSA-N 338.333 2.638 0 50 EFAA Cc1ccccc1-c1nc(CN2CCCC(CO)(CO)C2)c(C)o1 67983422 DOTVCJHFXLXDTM-UHFFFAOYSA-N 330.428 2.525 0 50 EFAA N[C@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCCC3(F)F)cc2C1 333387054 WWWZRRSJZXWMRB-STQMWFEESA-N 338.402 2.845 0 50 EFAA CC[C@H](OC1CCCCC1)C(=O)Nc1nc(CC(=O)O)cs1 237003209 HEEIUHVIDQTEHP-LBPRGKRZSA-N 326.418 2.837 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)C1 238020241 MEGMBQODJKDETM-CYBMUJFWSA-N 345.374 2.728 0 50 EFAA Cc1cnn(CC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)c1 77377538 MHOYAQNWXNTBTR-UHFFFAOYSA-N 349.438 2.930 0 50 EFAA COc1ccnc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 253395296 RVVSHXSDNAWFQP-STQMWFEESA-N 339.317 2.816 0 50 EFAA O=C(CCc1ccccc1)N1CCC(Nc2ncnc3[nH]ccc23)CC1 339137406 RWYFVMQPSRYJSI-UHFFFAOYSA-N 349.438 2.994 0 50 EFAA COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1cccs1 362195586 NCTPDMUGVKSEEC-UHFFFAOYSA-N 341.410 2.575 0 50 EFAA CN1C[C@]2(CCCN(Cc3cnc(-c4cccs4)nc3)C2)OC1=O 215242469 ICPSCLULJOXMMW-KRWDZBQOSA-N 344.440 2.622 0 50 EFAA COCCOC1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 215453271 GVOJUXAXAQJYQC-UHFFFAOYSA-N 327.808 2.696 0 50 EFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)cc1 33086853 IIHNEDNIYRGFHD-HNNXBMFYSA-N 336.413 2.826 0 50 EFAA CC(C)n1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cn1 77357846 BWXWBWJAQWOLNU-QGZVFWFLSA-N 328.416 2.680 0 50 EFAA COc1ccc(CCC(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)cc1 262262649 RKOSPFRIRFMZIC-GOSISDBHSA-N 339.391 2.838 0 50 EFAA CCC(CC)C(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72442014 MEJHXEBPOKUJKI-UHFFFAOYSA-N 345.491 2.552 0 50 EFAA Nc1cc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)ccn1 77389458 BVPKHBQSYNELJQ-INIZCTEOSA-N 325.412 2.997 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccccc1)c1csc([C@H]2CCCO2)n1 262607960 AQMGBJCFQVCMMV-TZMCWYRMSA-N 346.408 2.593 0 50 EFAA CN(C)c1ncccc1CN[C@@H]1CCC(=O)Nc2ccc(F)cc21 376271419 VNGIFFDYKJGBLU-OAHLLOKOSA-N 328.391 2.850 0 50 EFAA COc1cc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)ccn1 77342621 ZSMPBXNSNBUUJV-GOSISDBHSA-N 340.423 2.546 0 50 EFAA O=C(c1cnn2cccnc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 44218821 BXWBAPBBZXPXLK-ZDUSSCGKSA-N 346.394 2.625 0 50 EFAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 176153174 KCTGDCPBAGEZOZ-ZDUSSCGKSA-N 331.803 2.614 0 50 EFAA CC(C)c1nc([C@@H]2CCCN2C(=O)NCCc2cccnc2)no1 177381861 KGQPPGAISAOSCJ-AWEZNQCLSA-N 329.404 2.677 0 50 EFAA O=C(NCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12 43947651 JGSWLSIPNSQNFS-UHFFFAOYSA-N 343.390 2.923 0 50 EFAA CC(C)c1cc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)no1 82171940 KPKOGARHQDOARY-UHFFFAOYSA-N 327.344 2.515 0 50 EFAA O=C(CSC1=Nc2ccccc2CS1)N[C@@H]1CCSC1=O 266160327 ZOTWZDPVFDHHMK-LLVKDONJSA-N 338.479 2.802 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(OC(F)F)c1 82096242 WYSRFKWSESFNMJ-CQSZACIVSA-N 340.370 2.761 0 50 EFAA Fc1ccccc1-c1nnc2ccc(NCC3CCOCC3)nn12 194989674 ZOIZTNYBHVNGGA-UHFFFAOYSA-N 327.363 2.769 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)C1 179007211 REHMBFRGLXYBFY-VBROQKIQSA-N 338.883 2.582 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC[C@@H](OCc2ccccn2)C1 82115905 IMSMMIBKJQFLHV-MRXNPFEDSA-N 345.468 2.987 0 50 EFAA O=C(NCCCN1CCCC[C@@H]1CO)Nc1ccc(F)cc1Cl 96160514 HKBIVNKBFZIRGW-CYBMUJFWSA-N 343.830 2.838 0 50 EFAA O=C1NCCC[C@]12CCN(c1ncc(Cl)cc1C(F)(F)F)C2 91779900 WMOVFZUUNDLGML-CYBMUJFWSA-N 333.741 2.860 0 50 EFAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239378425 OUBIXGHIIWWTCH-AITUJVMLSA-N 331.371 2.954 0 50 EFAA COC[C@]1(O)CCN(Cc2c[nH]c(CC3CCCC3)n2)CC1(C)C 91473992 ZZNAORUIZNGFME-LJQANCHMSA-N 335.492 2.752 0 50 EFAA Cc1cc(Br)oc1C(=O)NC[C@H]1CSCCS1 267819450 WUEODBRHCNLBIU-QMMMGPOBSA-N 336.276 2.929 0 50 EFAA CCN1CC2(CCC1=O)CCN(CCOc1ccc(F)cc1)CC2 91895151 QSKQXFOYMAMHBT-UHFFFAOYSA-N 334.435 2.929 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cnc(-c3cccnc3)nc2)c1 95372892 RELGRGVVFTVEJI-OAHLLOKOSA-N 347.422 2.945 0 50 EFAA Cc1cccc(N2CCC(NC(=O)[C@H]3CCCCCN3C)CC2)c1 91871477 RVEVPEZEGTXNPN-LJQANCHMSA-N 329.488 2.954 0 50 EFAA OCc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1 91877071 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0 50 EFAA Cc1csc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)c1 650937790 JAZZJFQOPYWOKD-UHFFFAOYSA-N 334.416 2.962 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)COc2ccc(F)cc2F)s1 1506402573 OJGBBWRZGQWUDV-ZETCQYMHSA-N 329.328 2.541 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H](O)c1ccccc1Cl)C1CC1 1506418877 UKBGMRKUFUIASJ-KRWDZBQOSA-N 347.846 2.915 0 50 EFAA COc1cccc([C@H]2CN(Cc3ccccc3C#N)C[C@@H]2C(=O)O)c1 220122315 JZVQOHFHDXGQPR-MOPGFXCFSA-N 336.391 2.867 0 50 EFAA NCC1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 226176928 FKYJHRRQHBWODP-UHFFFAOYSA-N 331.641 2.913 0 50 EFAA O=C(C1CCOCC1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704302832 DHZADXUYQRGYMJ-KPFFTGBYSA-N 329.440 2.559 0 50 EFAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3CCCC3=O)c3cc(F)cc1c32 1740816464 HJONAAYVZVBSEP-BFUOFWGJSA-N 329.371 2.925 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCCN(c2cnccn2)CC1 1772804981 VXUCZKPITYWPOB-UHFFFAOYSA-N 344.846 2.802 0 50 EFAA CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12379528 ZBHPCFVWCHWDCE-XXWVXFISSA-N 347.499 2.786 0 50 EFAA O=C1NCCN(CC2CCCCC2)[C@@H]1CC(=O)N1CCCCCCC1 12750400 GURNGXOWSKJJTB-GOSISDBHSA-N 349.519 2.550 0 50 EFAA O=C(CC1c2ccccc2CCc2ccccc21)N[C@H]1CCOC1=O 14980162 KHHDRPZBYRXBLG-IBGZPJMESA-N 335.403 2.739 0 50 EFAA Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCOCC1 19793631 FSEYSDZKAOXRDJ-UHFFFAOYSA-N 330.428 2.704 0 50 EFAA Cn1nncc1C=Cc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1 1857530028 CPDVKDBEQUFNEU-UHFFFAOYSA-N 341.758 2.794 0 50 EFAA NC(=O)CCn1c(SCC=Cc2ccccc2)nnc1C1CC1 1857532300 NXKMWMKBMRZTAS-UHFFFAOYSA-N 328.441 2.836 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 237950021 CJUUSRFRTHPVCY-LBPRGKRZSA-N 325.792 2.822 0 50 EFAA COc1ccccc1[C@H](C)CC(=O)N1CCN(c2nccs2)CC1 408512848 AWTISGZSMMWBTO-CQSZACIVSA-N 345.468 2.994 0 50 EFAA C[C@H]1C[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1 225485632 DRPZZEDTKWMOIE-STQMWFEESA-N 326.400 2.594 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccc(S(C)(=O)=O)cc1 125329779 MBUKNEYXBORROP-CJNGLKHVSA-N 339.457 2.554 0 50 EFAA O=C(NC[C@@H]1CCCNC1)c1csc(Cc2ccc(F)cc2)n1 237806750 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495802703 IBHFTJPILGFBSP-ZNMIVQPWSA-N 330.432 2.852 0 50 EFAA FC(F)CN1CCC(Cc2nc(-c3cccn4ccnc34)no2)CC1 904055220 DQVCPAGJJWOENL-UHFFFAOYSA-N 347.369 2.904 0 50 EFAA Cc1c(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)cccc1N(C)C 930720200 AAQHUXWMEFOPPD-OAHLLOKOSA-N 347.459 2.599 0 50 EFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC[C@@H](Cn2cncn2)C1 933238125 RZXKREVJGKXQBA-LLVKDONJSA-N 338.333 2.907 0 50 EFAA C[C@H](CN(C)S(=O)(=O)Cc1ccc2nonc2c1)c1ccccc1 1875289591 BXAIUNBXURLTMV-CYBMUJFWSA-N 345.424 2.788 0 50 EFAA C[C@@](O)(CNCC1CCCCC1)C(=O)N[C@H]1CCc2ccccc21 1875325977 IZPMHFZSMSBWAH-AZUAARDMSA-N 330.472 2.711 0 50 EFAA O=C(OCCCNc1ccc2nccn2n1)[C@H]1CCCC(F)(F)C1 888093477 VYHQMSVDWMCQSW-LBPRGKRZSA-N 338.358 2.900 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)C=C2CCCCC2)C1 1775958931 HEAZKPKTVQLSSF-KBPBESRZSA-N 332.366 2.935 0 50 EFAA C[C@@H](CCc1ccccc1)NS(=O)(=O)CC[C@@H]1CCCOC1 1775989364 LYKRJNTZZZQCES-RDJZCZTQSA-N 325.474 2.744 0 50 EFAA O=C(OCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(CC2CC2)C1 1775996381 ZGRYZTJLOUTGPR-HNNXBMFYSA-N 326.396 2.512 0 50 EFAA COc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1OC 109764 HCTNXSGHAWINLD-OAHLLOKOSA-N 343.379 2.579 0 50 EFAA O=C(O)[C@@H](CCSc1ccccc1)N1C(=O)c2ccccc2C1=O 330304 GFFKHQSBGGYCRF-OAHLLOKOSA-N 341.388 2.918 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1 1300124 KDXKSYMIUVQZTM-INIZCTEOSA-N 339.420 2.824 0 50 EFAA Cc1ccc2nc(CNC(=O)c3ccc4c(c3)C[C@H](N)CCC4)cn2c1 2325778541 DGTQLSISWHFTMH-GOSISDBHSA-N 348.450 2.779 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2C[C@H](O)c3ccccc32)c1Cc1ccccc1 2325840565 GKVGGZODKLOINP-QUCCMNQESA-N 347.418 2.919 0 50 EFAA CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2cn(C)nc2C)cc1 609500 ORRUMSHEZKWEDN-LLVKDONJSA-N 346.456 2.953 0 50 EFAA O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356137581 QMGIIVWPRCUAHL-VQTJNVASSA-N 347.418 2.863 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccccn1 2196044 AETZFSMSDBSZLT-QGZVFWFLSA-N 347.378 2.662 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1 40571828 RDYTYHWKFAPMCF-UHFFFAOYSA-N 345.193 2.971 0 50 EFAA CC(C)(CO)NCc1ccccc1OCC(=O)Nc1ccccc1 4258162 GPGOBHNXOJZYLA-UHFFFAOYSA-N 328.412 2.565 0 50 EFAA CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 9426528 ABSJUWDPHVYVPP-GFCCVEGCSA-N 344.440 2.728 0 50 EFAA Cn1cccc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225507478 GPCIDOGIYDTSCI-HIFRSBDPSA-N 338.329 2.992 0 50 EFAA O=C(CCCn1cccn1)N1CCC(OCc2ccccc2)CC1 50296105 JWGWNDFLVNLOFS-UHFFFAOYSA-N 327.428 2.871 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)O)cc12 51943357 FDYMBJJXDJNNJU-UHFFFAOYSA-N 346.383 2.606 0 50 EFAA O=S(=O)(N[C@H]1CC[C@H](CO)CC1)c1ccccc1C(F)(F)F 245713632 ZWAUXSZEOBUCQY-XYPYZODXSA-N 337.363 2.535 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)NCc1ccnc(-n2cccn2)c1 115330369 CXTWKSCXKYRIEI-GOSISDBHSA-N 348.406 2.588 0 50 EFAA Cc1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)c(C)c1 20996952 PWBWOEXLPBGLNA-KRWDZBQOSA-N 326.444 2.805 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C)c2)C1 347953893 UALFCCZMXIZLJD-JSGCOSHPSA-N 346.324 2.806 0 50 EFAA COc1ccc(C2(C(=O)NC[C@H]3CCCN(C)C3)CCCC2)cc1 67820503 XQGAFWOANQJDKM-MRXNPFEDSA-N 330.472 2.965 0 50 EFAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cnn(-c2cccnc2)c1 346150579 ACLBFSPLDGDHKC-OAHLLOKOSA-N 347.422 2.748 0 50 EFAA CCCn1ncc(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2C)c1C 65381610 LECWJGXHLSUKHG-GFCCVEGCSA-N 346.406 2.806 0 50 EFAA OCC1(NCc2ccc(O[C@@]34CCCN(CC3)C4)cc2)CCCC1 67822176 UPJOZGZGYSQBGO-FQEVSTJZSA-N 330.472 2.698 0 50 EFAA O=S(=O)(c1ccccc1)N1CCN(CCCc2ccccc2)CC1 35366121 LBJHAZDENWNBPC-UHFFFAOYSA-N 344.480 2.626 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)Nc2cncnc2N2CCCC2)c1C 252500488 SWQJEEJWWNAOIJ-GFCCVEGCSA-N 328.420 2.805 0 50 EFAA CC(=O)c1cccc(OCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 252506046 ONMKQEIVVXQLOB-OIISXLGYSA-N 345.395 2.512 0 50 EFAA Cc1ccc2nc(CCN3CCO[C@@H](C(F)(F)F)C3)[nH]c2c1C 71754278 LROIVYPMGSTHJM-CYBMUJFWSA-N 327.350 2.985 0 50 EFAA Cc1ccc(OCc2cc(C(=O)NCc3ccc(C)o3)no2)cn1 11668184 BDZYMXZHMBSGPJ-UHFFFAOYSA-N 327.340 2.788 0 50 EFAA Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc([S@@](C)=O)cc1 253425155 BAOTZQKQYPNHLC-VOIUYBSRSA-N 346.456 2.917 0 50 EFAA CC[C@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nc(C)no1 72158701 NMMGDFWPKPDKMI-NSHDSACASA-N 329.408 2.915 0 50 EFAA CS(=O)(=O)CCc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 153517919 QOEKZKDBQZYDAD-UHFFFAOYSA-N 343.448 2.944 0 50 EFAA CN(C)c1ccc(CC(=O)N2CCCN(C3CCCC3)CC2)cc1 77285468 DTNHWSUUUMYNGB-UHFFFAOYSA-N 329.488 2.772 0 50 EFAA C/C=C(\C)CN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77425694 OIVSJDLRRMYULS-WYLMYDOGSA-N 342.487 2.956 0 50 EFAA O=C(O)c1cccc(C(=O)Nc2cc(F)ccc2OCC2CC2)n1 439810172 SQWWCLSQTSRJRY-UHFFFAOYSA-N 330.315 2.960 0 50 EFAA NC(=O)c1ccccc1N1CC[C@H](NCc2cccc3[nH]ccc23)C1 370830885 PZZXXSIMXUFMBM-HNNXBMFYSA-N 334.423 2.635 0 50 EFAA COCCN1CCC[C@@H](CN(C)c2cc(C(C)C)nc3ccnn23)C1 72147847 GYIPBHZLAGRCRY-INIZCTEOSA-N 345.491 2.647 0 50 EFAA CC(C)CCCC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72137124 TWNIPDYYXJQCSY-KRWDZBQOSA-N 334.435 2.912 0 50 EFAA COc1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 216408732 ZVVQHWXXATUIRI-IBGZPJMESA-N 326.440 2.906 0 50 EFAA CCn1nnnc1-c1cccc(NC(=O)N2CC[C@@H](C3CC3)C2)c1 378317807 LSYQFDQWTDKNJC-CQSZACIVSA-N 326.404 2.624 0 50 EFAA CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2cnn(C)c2)ccn1 171839347 DCJZLNGXRMOTJW-AWEZNQCLSA-N 345.447 2.628 0 50 EFAA CCn1ccc(C(=O)N2CCC(Oc3ccccc3OC)CC2)n1 77453885 PEWLNUGTWQHQMX-UHFFFAOYSA-N 329.400 2.595 0 50 EFAA O=C1SCCN1CC(=O)N1CCCSc2ccc(F)cc21 241383357 MUQKESJCUUURJF-UHFFFAOYSA-N 326.418 2.823 0 50 EFAA CCOC(=O)[C@H](NC(=O)c1c(C)nn(C)c1C)c1cccc(C)c1C 283828320 UOFOZQVZJIWLMP-QGZVFWFLSA-N 343.427 2.688 0 50 EFAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1cnn2ccccc12 82134832 YABFBEMFJAWJQL-OAHLLOKOSA-N 337.427 2.695 0 50 EFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc2ccccc2nc1O 284752076 VSZAPDKYZVXUKU-BHIYHBOVSA-N 342.439 2.956 0 50 EFAA CCOc1ncccc1C(=O)N1CCC(Oc2cccnc2)CC1 220453987 BFQNAMKVBMOGCY-UHFFFAOYSA-N 327.384 2.559 0 50 EFAA CC(C)n1cc([C@@]2(O)CCN(Cc3cc(F)cc(Cl)c3)C2)nn1 285605288 UYMSDUVMEBKVAL-MRXNPFEDSA-N 338.814 2.745 0 50 EFAA Cc1nnc(CN(C)C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)o1 426428378 ZPSHXSPLDJOVNC-GOSISDBHSA-N 328.416 2.887 0 50 EFAA CCc1nccn1CCC(=O)N1CCCC[C@H]1CCc1nccn1C 82150013 UZRQTRKNNKKYOZ-INIZCTEOSA-N 343.475 2.583 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1cccc2ccccc12 220304643 ZIMXPWKSIDZHPS-CUDHKJQZSA-N 325.408 2.548 0 50 EFAA C[C@@H](CNC(=O)c1cc(-c2ccsc2)n[nH]1)Oc1cccnc1 222261678 JBCHBURMYBOFGC-NSHDSACASA-N 328.397 2.731 0 50 EFAA CCC[C@H]1C=CCN1C(=O)Nc1cc(-c2nnn(C)n2)ccc1C 426509300 FXZGTXHMYNTNDL-AWEZNQCLSA-N 326.404 2.758 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(F)cc1F 176896718 NWYASYXSFXNVSW-MRXNPFEDSA-N 331.318 2.545 0 50 EFAA CC(=O)N[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1c1ccc(C)o1 91526533 JUBWORBHOWZKPP-RHSMWYFYSA-N 336.395 2.640 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 95528330 SOKMTUUSIVJYMK-OAHLLOKOSA-N 345.443 2.995 0 50 EFAA Cc1cc2cccc(C(=O)N3CC[C@H](N(C)C)[C@H](CCCO)C3)c2o1 91848285 CTUWWZRMVQTDJX-AEFFLSMTSA-N 344.455 2.906 0 50 EFAA CO[C@H](CNC(=O)c1ccccc1-c1nc[nH]n1)c1cccs1 97819462 POPCWVDAKBXQMY-CYBMUJFWSA-N 328.397 2.651 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CCC4(CC3)COC(=O)O4)c2)n1 97775512 PDLTWZFKVJDRBP-UHFFFAOYSA-N 341.411 2.991 0 50 EFAA COCCc1nc(C[C@@H]2CCCCN2C)n(CCc2ccccc2)n1 96148040 CDSTYABWBCNRAI-SFHVURJKSA-N 342.487 2.737 0 50 EFAA CC1(C)CN(C(=O)Cn2c(C3CC3)nc3ccccc32)C[C@@]1(C)O 91691348 KALIUPUACUDYBV-LJQANCHMSA-N 327.428 2.533 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)[C@H]3COc4ccccc4C3)cc2)no1 91859926 SJGSXJREOPTTNP-QGZVFWFLSA-N 349.390 2.913 0 50 EFAA COc1cccc2c1OC[C@H](Cc1ccc(C(=O)N(C)C)cn1)C2 95363474 ODVSNPFXLJQICJ-ZDUSSCGKSA-N 326.396 2.586 0 50 EFAA CNc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)ccn1 97334163 NPHRRMVVPWLZJU-QGZVFWFLSA-N 338.455 2.651 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C(=O)O)c1ccc(Cl)cc1 95497383 WXLUVEIDNDYERN-MRXNPFEDSA-N 349.818 2.565 0 50 EFAA O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)[C@H]1CCCOC1 238180007 IPDWKERTZBATEN-ZWKOTPCHSA-N 341.407 2.626 0 50 EFAA O=C(NCCCc1ccco1)c1cnc(-c2cccs2)nc1O 91350473 YYNMZSUZXXKZGM-UHFFFAOYSA-N 329.381 2.866 0 50 EFAA CC1(C)Cc2cc(CNc3cc([C@H]4C[C@@H](O)C4)nc(N)n3)ccc2O1 244794904 QVZXUVOSTRJUOT-XBXGTLAGSA-N 340.427 2.623 0 50 EFAA CCc1nnc(C)cc1C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 292650973 XSBQWTQQXPLXFL-CQSZACIVSA-N 342.418 2.837 0 50 EFAA CC(C)n1cc(CN2CCN(c3ncnc4sccc34)CC2)cn1 179933318 BVGXPPRIPQIDSD-UHFFFAOYSA-N 342.472 2.791 0 50 EFAA CC1=C2CCCC[C@]23[C@H]1[C@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21 253588238 REOSPZRTUYDXNG-IKVWTGGYSA-N 347.418 2.973 0 50 EFAA CCN(Cc1nnc(C(=O)Nc2ccccc2)s1)C[C@@H]1CCCO1 182419986 KLFXKWXKQAJJMN-AWEZNQCLSA-N 346.456 2.791 0 50 EFAA C[C@H]1CN(C(C)(C)CNc2nccc(C(F)(F)F)n2)C[C@@H](C)O1 298151170 HSOBUESRZCCXQC-PHIMTYICSA-N 332.370 2.795 0 50 EFAA COCCn1ccc2c(OCC(=O)Nc3cccnc3)cccc21 263587748 KUIOHVCZPDTJFH-UHFFFAOYSA-N 325.368 2.700 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N(C)Cc1n[nH]c2c1CCCCC2 299780117 ACUZWWRGEBKFDZ-CYBMUJFWSA-N 329.448 2.793 0 50 EFAA CC(=O)N1CCCN(C(=O)NCc2cc3ccccc3s2)CC1 299257907 SLOIIOQMWXADJG-UHFFFAOYSA-N 331.441 2.665 0 50 EFAA Cc1cc2c(cc1NC(=O)NC[C@@H](C)Oc1cccnc1)OCCO2 299766593 FUEPMMPZOXMLFG-CYBMUJFWSA-N 343.383 2.750 0 50 EFAA C=CC(=O)Nc1cc(NC(=O)[C@@](C)(O)c2cccc(F)c2)ccc1F 136610307 XLOUWXUKGNNHBN-SFHVURJKSA-N 346.333 2.936 0 50 EFAA CCOc1ncccc1NC(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 1434680621 GYIYIBFWJNLHQR-NHYWBVRUSA-N 325.372 2.564 0 50 EFAA O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CC[C@@H](CO)C1 305689083 MTNAGZDVINJFSW-CYBMUJFWSA-N 329.396 2.531 0 50 EFAA COc1cccc(C(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)c1 408518061 SOXFUNRMXDQLKO-LBPRGKRZSA-N 330.350 2.699 0 50 EFAA Cc1cc(C)c(NC(=O)N2CC[C@H](CO)C2)cc1Br 187538945 IDHPLVVHFSWYAA-NSHDSACASA-N 327.222 2.912 0 50 EFAA COc1ccc2c(c1)CN(CCS(=O)(=O)c1ccccc1)CC2 170593150 RTZQSMNFTNLUQG-UHFFFAOYSA-N 331.437 2.527 0 50 EFAA CC(C)(C)c1ccc2c(c1)CCN2S(=O)(=O)c1c[nH]c(C(=O)O)c1 170614015 XZWAVGLVDDZSJY-UHFFFAOYSA-N 348.424 2.762 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2C)C1 189839703 BTQHOFUBALDMDP-AWEZNQCLSA-N 342.361 2.889 0 50 EFAA C[C@H](Cc1nc(COc2ccc(F)cc2)no1)N1CCCCC1=O 193220301 UKTPPZAJEFALBY-GFCCVEGCSA-N 333.363 2.731 0 50 EFAA C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2cccnc2)C1=O 193713821 AFKBYRHFXOZVTJ-INIZCTEOSA-N 333.750 2.841 0 50 EFAA O=C1CSc2ccc(C(=O)Nc3n[nH]c4cccc(F)c34)cc2N1 194699318 RZIVBEFISLFUGO-UHFFFAOYSA-N 342.355 2.999 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CC[C@H](C2CC2)N1 653075575 SHEIBLUNOBLYNS-MSOLQXFVSA-N 341.455 2.782 0 50 EFAA Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653328343 HWWZXTCDRKMXHD-UONOGXRCSA-N 327.384 2.885 0 50 EFAA CCO[C@H]1C[C@@H](Nc2cnn(-c3ccncc3)c2)C12CCOCC2 681108378 ARTXRGACCCFDCF-SJORKVTESA-N 328.416 2.653 0 50 EFAA Cc1cccc([C@H]2NC(=O)N(C[C@@H](C)N3CCCCC3)C2=O)c1C 761118719 JDSHDQJPDDQBOV-RHSMWYFYSA-N 329.444 2.771 0 50 EFAA CSc1c(F)cc(N2C(=O)N[C@H](Cc3ccncc3)C2=O)cc1F 772092270 QQEJOEHZQJQVNR-CYBMUJFWSA-N 349.362 2.749 0 50 EFAA Cc1ccc2c(CCNC(=O)/C=C/c3cnc(N)nc3)c(C)[nH]c2c1C 1506402426 YCQGWCOUBBNOOA-FNORWQNLSA-N 349.438 2.837 0 50 EFAA Cc1ccccc1-c1nnc2s/c(=C\c3cccs3)c(=O)n12 462396 ZYCZTJNICZJZEC-LCYFTJDESA-N 325.418 2.736 0 50 EFAA Cc1cc(C)c2nc(O)c(CN3C[C@@H]4CCCN4C(=O)[C@@H]3C)cc2c1 1772708695 ALZOJZWWZAPXGB-YOEHRIQHSA-N 339.439 2.752 0 50 EFAA COC(=O)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12316192 IOANCEILEIOKHN-UHFFFAOYSA-N 349.799 2.619 0 50 EFAA O=C(CCc1ccco1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 12452621 NLQUKIHAJZGFMI-KRWDZBQOSA-N 349.390 2.789 0 50 EFAA CCOC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC)c1C 13328070 WGZZFYNAOATPGK-UHFFFAOYSA-N 348.380 2.667 0 50 EFAA Cc1cccc(OCC(=O)N2CCN(CCc3ccccc3)CC2)c1 13744789 PVGJNYHPYIBYPA-UHFFFAOYSA-N 338.451 2.761 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(F)c1 16552302 NHYNXQNBZYRQIG-UHFFFAOYSA-N 336.388 2.766 0 50 EFAA COc1ccc(CN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 19731451 ULRCHGFUVDMHJI-MRXNPFEDSA-N 344.798 2.770 0 50 EFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccccc1F 169752407 OCCYUBNZHXTFLF-UHFFFAOYSA-N 349.365 2.843 0 50 EFAA Cn1cc(Cl)c(CN2C[C@@H]3CCC[C@@]3(c3nnc(C4CC4)o3)C2)n1 1857530254 BHDWFLQPOIWELB-YVEFUNNKSA-N 347.850 2.888 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@@H]12 423528365 NWDHYUDNGCRYCY-NWANDNLSSA-N 345.443 2.682 0 50 EFAA c1nc(C2CC2)c(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)s1 329607783 CLONKJDAOLONLC-NWDGAFQWSA-N 332.429 2.996 0 50 EFAA Cn1nccc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 241316783 LUWOZZGAHDBNHZ-GFCCVEGCSA-N 340.349 2.687 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2ccc3nc(C)ccc3c2)C1 344014772 CSHFOLYSMGPXQF-AEFFLSMTSA-N 337.427 2.932 0 50 EFAA COCc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 348260503 NUIRPFRROFNBTK-ROUUACIJSA-N 329.371 2.920 0 50 EFAA COc1ncc(Cl)c(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 359906217 ULPROYMOSMAZMQ-GASCZTMLSA-N 344.846 2.707 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)O)cc1Cl 263044312 NMNULTOHJDYXNI-LFIJZLDSSA-N 335.787 2.803 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1ccccn1 162466755 VJLDYJZOUCJTDS-ZDUSSCGKSA-N 341.415 2.504 0 50 EFAA COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2O)cc1OC 390834991 AIRDXTSTXNTMMA-UHFFFAOYSA-N 343.788 2.864 0 50 EFAA COc1cc(Cn2cc3cc(C(=O)N4CCCC4)ccc3n2)ccn1 902560906 CCTFFEORRBKJBZ-UHFFFAOYSA-N 336.395 2.724 0 50 EFAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C[C@@H]3C[C@H]3c3ccccc3)C2)cn1 874048249 OBDSCBZNZLJBST-DFEOGRTESA-N 339.439 2.714 0 50 EFAA Cc1ccc([C@H]2C[C@@H](C)N(c3nnnn3C3CCOCC3)C2)cc1 952878782 ITTJENJRVBBJHE-ZBFHGGJFSA-N 327.432 2.715 0 50 EFAA O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccccc1C(F)F 1875279770 CRIJLLRIVDTCHK-NSHDSACASA-N 343.355 3.000 0 50 EFAA NS(=O)(=O)c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)cc1 1875275475 ZENPIZMBLVEDLM-UHFFFAOYSA-N 349.431 2.554 0 50 EFAA Brc1cnc2[nH]cnc(NCc3cn4c(n3)CCCC4)c1-2 1875279671 ZMYFILLGNVRWNC-UHFFFAOYSA-N 347.220 2.817 0 50 EFAA Fc1ccc(CN2CCC(N=c3nc[nH]n4cccc34)CC2)cc1F 1875294094 MKCFVOZUROZOIT-UHFFFAOYSA-N 343.381 2.506 0 50 EFAA Cc1nc2ccc(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)cc2[nH]1 1875252982 QKFBGAJJNRVSEI-LLVKDONJSA-N 346.431 2.857 0 50 EFAA CC(C)C(=O)N1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875394698 SRYOHXKYBWTCTK-HNNXBMFYSA-N 347.459 2.831 0 50 EFAA O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H](O)c1cccnc1 1169799858 PQBSPUCSFCLHNI-INIZCTEOSA-N 329.787 2.609 0 50 EFAA Cc1nnc([C@H]2CN(Cc3ccnn3C3CCCC3)C[C@@H](C)O2)o1 886078437 ZICFWCCQMKDYLS-MLGOLLRUSA-N 331.420 2.652 0 50 EFAA CCC(CC)(CO)C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 887992496 HVRFVKCBMVBDGL-LIRRHRJNSA-N 347.459 2.626 0 50 EFAA O=C(N[C@@H]1COC[C@H]1C1CC1)c1cccc(CN2CCCCC2)c1 891044001 XYQDIQGWTYTMRY-RBUKOAKNSA-N 328.456 2.827 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)C=C2CCCCC2)C1 1775958934 HEAZKPKTVQLSSF-ZIAGYGMSSA-N 332.366 2.935 0 50 EFAA CN(C)CCCC(C)(C)NC(=O)c1nscc1Br 404990424 GDOJRRYBOQTGPO-UHFFFAOYSA-N 334.283 2.756 0 50 EFAA O=C(NCc1ccc(-c2ccsc2)nc1)[C@H]1CCc2nccn2C1 2325781870 XZXHUGPVIQBDMF-AWEZNQCLSA-N 338.436 2.885 0 50 EFAA COC1(CN(C)C(=O)[C@@H]2CCCN(c3ccc(C)cn3)C2)CCC1 2325800221 XYTPVQZVRJFDGF-MRXNPFEDSA-N 331.460 2.634 0 50 EFAA Clc1ccc(-c2cnc(CN3CCNC[C@H]3c3cn[nH]c3)o2)cc1 2325801126 XDNXTBFXSCQLPZ-HNNXBMFYSA-N 343.818 2.865 0 50 EFAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4cccnc4)nn3C)cc2[nH]1 2325822799 POEKENOFGLPDEM-UHFFFAOYSA-N 346.394 2.943 0 50 EFAA N[C@H](CNC(=O)c1ccc2cccnc2n1)c1cc(F)cc(Cl)c1 2325856165 DGGCOEKYWGNHAJ-CQSZACIVSA-N 344.777 2.852 0 50 EFAA O=C(O)c1cnc(N2CCC[C@]3(CCc4c[nH]nc43)C2)c(Cl)c1 2356143234 ZQAFEPLDYVOLQL-INIZCTEOSA-N 332.791 2.641 0 50 EFAA CCOC(=O)CC(=O)CSc1nc(N)c2c(C)c(C)sc2n1 2659594 UFZTVPSDOHXIGR-UHFFFAOYSA-N 339.442 2.505 0 50 EFAA CN(C)C(=O)c1cccc(-c2cnc3c(N4CCCC4)nccn23)c1 2356160353 OJDZJCOSJPCTFR-UHFFFAOYSA-N 335.411 2.698 0 50 EFAA COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)cc1C 6703792 FTQXBROXKDJONX-WCQYABFASA-N 327.446 2.869 0 50 EFAA Cc1cc2[nH]c(CN(C)[C@H](C)c3nc(C)sc3C)cc(=O)n2n1 102733734 LUFSGKWUEMXGDH-SNVBAGLBSA-N 331.445 2.597 0 50 EFAA CC[C@H](C)Oc1ccc(CNCCN2CCNC2=O)cc1Cl 55227173 UGTBGCOZZDVBKI-LBPRGKRZSA-N 325.840 2.632 0 50 EFAA CN(C(=O)c1ccc(Cl)cc1Br)C1CCNCC1 226207083 QWQAZXUUSNFWMO-UHFFFAOYSA-N 331.641 2.927 0 50 EFAA COc1ccccc1N1CCN([C@@H]2CCCN(CC(C)C)C2)CC1 22913077 KSRJNUVGJPLLHN-GOSISDBHSA-N 331.504 2.938 0 50 EFAA CCCOc1ccc(N2C(=O)C[C@@H](NCc3ccccc3)C2=O)cc1 100648358 WFINSIWOUKQTTG-GOSISDBHSA-N 338.407 2.897 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccn2)C1)c1cccc2cnccc12 67872687 ZKQLDJDHYGGWEI-INIZCTEOSA-N 346.434 2.882 0 50 EFAA O=c1[nH]c(CN[C@@H](CO)c2cc(F)c(F)c(F)c2)cc2ccccc12 119833553 AWVISDAWNGQBTM-INIZCTEOSA-N 348.324 2.769 0 50 EFAA Cc1nccn1-c1ccccc1CNc1cc(C2CC(N)C2)ncn1 219553199 OZYGODKYNHSABB-UHFFFAOYSA-N 334.427 2.788 0 50 EFAA Cc1cnc(NCc2cc(-c3cccnc3)no2)nc1-c1cnn(C)c1 23311441 CQSPGXICYGITLK-UHFFFAOYSA-N 347.382 2.848 0 50 EFAA O=C1CCCN1CCCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67773420 PINRLAUXNNSWIS-UHFFFAOYSA-N 335.411 2.953 0 50 EFAA Cc1cc(C)c2c(C(=O)NCc3nnc4n3CCC4)cc(C)nc2c1 63834890 PUKIOPIAJXCYIU-UHFFFAOYSA-N 335.411 2.628 0 50 EFAA Cc1nc[nH]c1CSCCNC(=O)CCN1CCCCCCC1 63868062 DOLJGUBPMRLJPT-UHFFFAOYSA-N 338.521 2.724 0 50 EFAA OCCN(CCc1cc(Cl)c2c(c1)OCCCO2)CC1CC1 352467100 IUTZAVCZSQJXSQ-UHFFFAOYSA-N 325.836 2.748 0 50 EFAA CN(C)[C@H]1CS(=O)(=O)[C@]12CC1c3ccccc3C2c2ccccc21 31716344 DHIQQBILTIUGMZ-ZUPWUQBJSA-N 339.460 2.765 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(OCC2CC2)c(F)c1 120043699 HEOYBHJPXGSNNL-RNCFNFMXSA-N 338.404 2.617 0 50 EFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2ccn[nH]2)C1 67869303 MLZZBTLLTIERRN-INIZCTEOSA-N 335.411 2.674 0 50 EFAA Cc1ccc(C2(O)CCN(Cc3c(C)nn(C)c3Cl)CC2)nc1 67784912 FVPHWSKNIBZZOZ-UHFFFAOYSA-N 334.851 2.569 0 50 EFAA CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Cl)nn2)CC1 230020938 DLYNFUJONHORRB-UHFFFAOYSA-N 326.828 2.573 0 50 EFAA CN(C)c1cccc(CNC(=O)c2cnnc(-c3ccccc3)c2)n1 355161303 KPDREYVQFOVVTQ-UHFFFAOYSA-N 333.395 2.535 0 50 EFAA CN(Cc1cnc(N2CCCCC2)nc1)Cc1cc(C2CC2)on1 216113097 QOTWGNFMXNLIEJ-UHFFFAOYSA-N 327.432 2.964 0 50 EFAA COc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3C)c(C)o2)c(C)c1C 71750556 GEVAPWDLJWVQLB-ZDUSSCGKSA-N 343.427 2.596 0 50 EFAA NC(=O)c1noc([C@H]2CCCN2CCCc2ccc(Cl)cc2)n1 328646980 SZNVDIKUCNONNB-CYBMUJFWSA-N 334.807 2.592 0 50 EFAA Cc1nc2c(c(N3CC(n4cc(-c5ccccc5)nn4)C3)n1)CCCC2 329490994 YZHZIBAPLWSYTP-UHFFFAOYSA-N 346.438 2.984 0 50 EFAA CNc1nc(C)c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)s1 77516633 HLOZXCBZQBDGPP-AWEZNQCLSA-N 346.456 2.710 0 50 EFAA Cc1nnc2c3ccccc3c(N3CCOCC4(CCCC4)C3)nn12 367436867 TTWUPYGBSYYECI-UHFFFAOYSA-N 337.427 2.983 0 50 EFAA O=C1C[C@H](Nc2cnc3ccccc3n2)CN1Cc1ccc(F)cc1 72165324 PDGDRBVWIOHQIJ-HNNXBMFYSA-N 336.370 2.982 0 50 EFAA C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCOc3cc(O)ccc3C2)[C@@H]1C 332797153 QDRVBBFIRCBEMG-ADAWSYLGSA-N 346.471 2.916 0 50 EFAA COc1ccc(CCC(=O)N[C@H]2CCC[C@H]3C[C@H]32)c(OC)c1OC 240534538 GOJIPKIUKPNCKY-ZNMIVQPWSA-N 333.428 2.950 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 240551553 GUPFHHDLNHFNQC-QRVBRYPASA-N 344.455 2.635 0 50 EFAA CNc1nc(CN(Cc2cccnc2)[C@H]2CN3CCC2CC3)cs1 72156943 OKLPGABWEBJSKD-KRWDZBQOSA-N 343.500 2.676 0 50 EFAA Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)no1 333605972 NFICOOGODVABSB-LLVKDONJSA-N 347.337 3.196 0 50 EFAA CCc1c(C)nc(C)nc1N1CCCn2nc([C@@H](O)C3CC3)cc2C1 219263470 KIBIXFMFMVUJGO-SFHVURJKSA-N 341.459 2.706 0 50 EFAA Cc1nccc(NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)n1 338429540 MBOHGAMLAAROEB-AWEZNQCLSA-N 330.363 2.999 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCCc2cccnc2)c1 449257269 LKLYVVBBMSBWQC-UHFFFAOYSA-N 340.301 2.961 0 50 EFAA CCCCc1nc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)c(Cl)[nH]1 72431543 AFPZABLLKCQICX-INIZCTEOSA-N 340.855 2.822 0 50 EFAA Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@@H]1CCCC[C@@H]1O 281352071 OIJASSVYPPOHBA-PBHICJAKSA-N 328.416 2.821 0 50 EFAA O=S(=O)(c1ccc(Cl)s1)N1[C@H]2CC[C@H]1c1cncnc1C2 238859636 KKQSEJYNMOAPMN-KWQFWETISA-N 341.845 2.642 0 50 EFAA COCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 496774010 QOGYDAIPOBUZQS-KRWDZBQOSA-N 346.443 2.611 0 50 EFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCc2ccccc2C1 82126311 LTMZSXPIJNFVQL-MRXNPFEDSA-N 347.418 2.687 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)ccn1 82146898 QHRHOQXFIABILN-INIZCTEOSA-N 340.427 2.717 0 50 EFAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N(CCO)CCO)cc1 426684508 OIBBYBFMOBLNSE-UHFFFAOYSA-N 333.815 2.742 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCOc2ccccc21 175551121 MQSXTQIPZTVAOR-DOTOQJQBSA-N 340.427 2.889 0 50 EFAA O=C1CN(C/C=C/c2ccccc2)CCN1c1ccc2cn[nH]c2c1 82134183 VRHDUJKIXPFUPL-QPJJXVBHSA-N 332.407 2.925 0 50 EFAA CC(=O)Nc1ccc(NC(=O)CN2CCc3c(F)cc(F)cc32)cc1 194309276 DYRDKEGWCKFVKK-UHFFFAOYSA-N 345.349 2.924 0 50 EFAA Cc1ncsc1CCCNC(=O)N1CCC[C@H](Cn2ccnc2)C1 426378243 TXWXDSQUWRAGHE-OAHLLOKOSA-N 347.488 2.702 0 50 EFAA Cn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc21 20604777 WGNVBVNFUNGHKQ-UHFFFAOYSA-N 347.783 2.636 0 50 EFAA CCCc1nc(C(=O)NCc2ccccc2-n2cncn2)cs1 91625723 HLKCIOHRBIOZIS-UHFFFAOYSA-N 327.413 2.606 0 50 EFAA Cc1cc(OC(F)F)ccc1NC(=O)N[C@H](C)c1nnc(N)s1 426578561 HQLAGFBAPXVNHU-SSDOTTSWSA-N 343.359 2.913 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 178290177 LITZUGIPYYAKAI-AVGNSLFASA-N 338.201 2.628 0 50 EFAA CC[C@H](C)[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 236995231 CGFDWKWKOBVAAI-GUYCJALGSA-N 342.395 2.890 0 50 EFAA COC[C@H](C)N(Cc1ccc2c(c1)OCO2)Cc1nncn1C(C)C 244795999 RRBBSRATWXWXEJ-AWEZNQCLSA-N 346.431 2.625 0 50 EFAA c1ccc2c(N3CCN(Cc4noc(C5CC5)n4)CC3)nsc2c1 244874605 XEBISAGANUVXSJ-UHFFFAOYSA-N 341.440 2.879 0 50 EFAA Cc1nccn1CCC1CCN(c2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 244852595 UVJMSUUZQNJKSY-CALCHBBNSA-N 341.459 2.527 0 50 EFAA C[C@](O)(CNS(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccccc1 295445255 DURZSTNBCYQDCP-CABCVRRESA-N 347.427 2.639 0 50 EFAA CC(C)C[C@H](C(=O)Nc1ccccc1-c1nnn(C)n1)n1cccc1 253411820 PEEOMFFGPJMXFZ-MRXNPFEDSA-N 338.415 2.905 0 50 EFAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F 299749247 JQKSLKUNJZRMQO-MRXNPFEDSA-N 347.317 2.557 0 50 EFAA COc1cccc(-c2cc(CNC(=O)CCn3cc(C)cn3)no2)c1 534581139 PEVOPFOYSXLGSC-UHFFFAOYSA-N 340.383 2.562 0 50 EFAA CCC[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O 185008918 YHHXJTYZSYKNPD-GFCCVEGCSA-N 336.775 2.637 0 50 EFAA CCN(CCN(C)C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 95510559 HOKCBNTUIZDLHW-UHFFFAOYSA-N 327.812 2.542 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccnn1C1CCCCC1 299800092 UXUZNQJMDHOYPK-HOTGVXAUSA-N 349.479 2.617 0 50 EFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCN=c1cc[nH]cc1C 827641374 CIXBMMANCJACIA-AWEZNQCLSA-N 347.846 2.769 0 50 EFAA CC(C)N1CCC[C@@H]1CNC(=O)N1CCC(CCn2cccn2)CC1 827910252 KUUQYKMKWXBHKI-GOSISDBHSA-N 347.507 2.568 0 50 EFAA O=C(O)c1cc(O)cc(C(=O)NCC2(N3CCCCC3)CCCC2)c1 828909882 IAKPATFQDANTLJ-UHFFFAOYSA-N 346.427 2.619 0 50 EFAA CC[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccc(O)cc1 584896183 ALXCJQUMBPACKP-GOSISDBHSA-N 340.427 2.770 0 50 EFAA COc1cc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)ccn1 670448737 SBZVCPOIRQWDET-SFHVURJKSA-N 339.439 2.700 0 50 EFAA Nc1nc(CCNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)cs1 952868558 CBOMVLZMNFKCNX-CQSZACIVSA-N 340.452 2.985 0 50 EFAA CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)Nc1cccc(C(F)F)c1 408522283 GTYYVVPRDSWQHZ-INIZCTEOSA-N 344.358 2.838 0 50 EFAA CN(Cc1cccc(NC(=O)c2cnsn2)c1)Cc1cscn1 408512887 GMWQIWCTOUTFCC-UHFFFAOYSA-N 345.453 2.879 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 408519894 MWBVQVLVWQQURT-FDPIWHGQSA-N 345.439 2.809 0 50 EFAA C[C@]1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)C[C@H]2CC[C@H]1O2 408517823 VVNXWPMMXGRNPV-PEELUZDISA-N 349.394 2.916 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)o1 1565517053 WZZQOEXXVHKAGV-GJZGRUSLSA-N 348.374 2.651 0 50 EFAA O=C1[C@H](NC2CCOCC2)CCN1c1ccccc1C(F)(F)F 186458233 LKBQIFYMEFMZKA-CYBMUJFWSA-N 328.334 2.579 0 50 EFAA C[C@H](c1cnccn1)c1noc([C@@H](C)n2ccc(C(F)(F)F)n2)n1 632177652 BBAZJVJMAHKTNF-RKDXNWHRSA-N 338.293 2.836 0 50 EFAA C[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1)c1cccnc1 186603374 URRPVHQBVOWWBC-VQIMIIECSA-N 338.455 2.751 0 50 EFAA COc1ccc2c(c1)C[C@@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)CC2 275558384 NRLBCRJHYFYFBH-YSIASYRMSA-N 341.455 2.796 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C2CC2)c2ccccc21 186821642 HSTXSRXYGLKALB-INIZCTEOSA-N 329.444 2.553 0 50 EFAA O[C@@H](CNc1cncc(-n2cccn2)n1)c1cccc(C(F)(F)F)c1 169981757 AOPLHFZICQQPCE-ZDUSSCGKSA-N 349.316 2.827 0 50 EFAA Cc1ccc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cc1O 170071537 RVQJPVMCUXLXOF-UHFFFAOYSA-N 346.471 2.590 0 50 EFAA Cc1cc(C(=O)NC[C@H](O)c2cccc(F)c2)nn1-c1ccccc1 170595171 SXFXGKVRJGXUCQ-SFHVURJKSA-N 339.370 2.783 0 50 EFAA CC(=O)c1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)n(C)c1 170637594 YYFHBXCOWPFVAJ-UHFFFAOYSA-N 341.411 2.752 0 50 EFAA O=C(CSC[C@@H](O)CO)N1c2ccccc2CCc2ccccc21 170652472 LVHWOJRVGXRDPH-INIZCTEOSA-N 343.448 2.536 0 50 EFAA Cc1cc(CN2CCN(c3ccnc4c(F)cccc34)CC2)no1 170608290 CDQAMYXCGBGVCB-UHFFFAOYSA-N 326.375 2.993 0 50 EFAA CN(CC1(O)CCCC1)C(=O)c1cc(F)cc(Br)c1O 170606258 XCNFVBAEPJASQA-UHFFFAOYSA-N 346.196 2.671 0 50 EFAA Cc1ccccc1C1(CNC(=O)[C@H]2CCCO[C@@H]2C)CCOCC1 190031758 FJYSMZUETVHJCB-SJORKVTESA-N 331.456 2.975 0 50 EFAA Cc1nc2ccncc2cc1OCc1nnc([C@@H]2CCCOC2)o1 643649918 PJVCOMKSZRQXHB-GFCCVEGCSA-N 326.356 2.794 0 50 EFAA C[C@@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1ccc2ccccc2c1 191543109 UPRJDURFGQOIDG-ZIAGYGMSSA-N 325.412 2.821 0 50 EFAA Cc1ccc(NC(=O)N2CCS[C@H](C)CC2)cc1S(C)(=O)=O 192287207 WZWRCMGOQZDROW-GFCCVEGCSA-N 342.486 2.758 0 50 EFAA C[C@H](C(=O)O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 86753214 YPNKVAVPQDVVRU-VXGBXAGGSA-N 341.249 2.601 0 50 EFAA O=C(CO[C@@H]1CCOC1)Nc1nc2ccc3scnc3c2s1 1334043269 PAVXUHOPNBMAPQ-MRVPVSSYSA-N 335.410 2.650 0 50 EFAA Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)nc1)CSC2 1529091125 OAACBRXYQYLJMY-UHFFFAOYSA-N 328.319 2.833 0 50 EFAA COc1ccc(C[C@H](N)C(=O)Nc2c(C)cnn2C2CCCC2)cc1 1529167980 SRFFNOKHRZLVBY-KRWDZBQOSA-N 342.443 2.824 0 50 EFAA O=C([C@H]1CCCO1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704358445 MOOYTOKHXBOGKQ-QGZVFWFLSA-N 340.423 2.737 0 50 EFAA CCn1nc(C)c(CNc2nnc([C@H](N)Cc3ccccc3)o2)c1C 1704329518 VYGMVOCOSCRXPC-MRXNPFEDSA-N 340.431 2.757 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1c1nc(-c2ccccc2)nc2c1CCC2 1772701329 LKZMHSQMGXZLBF-GDBMZVCRSA-N 348.450 2.832 0 50 EFAA CSc1cccc(NC(=O)N2CCC(CO)(CN(C)C)CC2)c1 1772701959 CNLLOQAIBGSQAH-UHFFFAOYSA-N 337.489 2.577 0 50 EFAA Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(Br)cc2)n1 12420410 JYEOAMBHZJNQSG-SECBINFHSA-N 337.221 2.932 0 50 EFAA O=C(N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 18137707 JBJOHLQFCPGVFT-UHFFFAOYSA-N 325.456 2.947 0 50 EFAA Cc1ncoc1C(=O)N1CCCN(c2nc3ccccc3s2)CC1 19225612 SKDFWGLRLURTIZ-UHFFFAOYSA-N 342.424 2.945 0 50 EFAA O=C(OCCN1CCOCC1)C1c2ccccc2Oc2ccccc21 19375090 MXFBFJAVHNETNY-UHFFFAOYSA-N 339.391 2.800 0 50 EFAA Cc1ccccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1 19683120 YNNCVSUWCSEFAM-UHFFFAOYSA-N 340.423 2.845 0 50 EFAA Cc1c(C(=O)N2CCNCC2)c(-c2ccccc2)nn1-c1ccccc1 19743731 UKMYDEVEIJOJJI-UHFFFAOYSA-N 346.434 2.893 0 50 EFAA O=C(c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19772579 CFWJLHVIDGWHHS-UHFFFAOYSA-N 342.370 2.512 0 50 EFAA Cc1nc(N2CCN(c3ccc(Cl)cn3)CC2)c2[nH]ccc2n1 1857682336 VSLYWUAEOCOCML-UHFFFAOYSA-N 328.807 2.641 0 50 EFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(Cc2nccs2)C1 1857688459 KRFHTBXBUACTLH-SFHVURJKSA-N 342.468 2.996 0 50 EFAA CN(CCn1cnc2ccccc21)Cc1nc(C(F)(F)F)no1 1857694135 BTGCXSFLHFQUAX-UHFFFAOYSA-N 325.294 2.570 0 50 EFAA COc1cc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)ccc1C 1857710778 OYSKNVCFVHQZIG-AWEZNQCLSA-N 325.412 2.878 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccc(Cl)s3)C[C@]23CC[C@H]1O3 1857715116 CCRNFZSLNXXMIP-XSUJLISDSA-N 340.876 2.583 0 50 EFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc3cc[nH]c13)C[C@H]2O 1857723091 WPISEDLHJVTXDQ-NXLVEIQXSA-N 348.446 2.737 0 50 EFAA N[C@H]1C[C@H](c2nc(-c3ccccc3)nn2-c2cccc(F)c2)C[C@@H]1O 1857733825 AMPJSOWNYIITNU-JQFCIGGWSA-N 338.386 2.639 0 50 EFAA Cc1cccnc1[C@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C 225356230 KGRCWQBQJSZZAI-ZMSDIMECSA-N 344.459 2.540 0 50 EFAA CNCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 225471637 SHFTUDUMIMANOW-ISVAXAHUSA-N 329.263 2.568 0 50 EFAA COC[C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 113592104 APORECACPBXEOD-IEBWSBKVSA-N 345.487 2.892 0 50 EFAA CN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CCNCC1 237092343 ZGQBVQTYXBINPF-KBPBESRZSA-N 342.361 2.899 0 50 EFAA O=C1CCCc2cc(NC(=O)c3ccnn3CC(F)F)ccc2N1 241693859 QIIKVPNBRZNPOQ-UHFFFAOYSA-N 334.326 2.675 0 50 EFAA COCCn1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1 252489337 JOLANKXHXAXLQI-SNVBAGLBSA-N 334.342 2.724 0 50 EFAA O=C(c1ccsc1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 252508934 XYFKVIGZUFUVAI-HNNXBMFYSA-N 340.408 2.543 0 50 EFAA Cc1nc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(C)o1 497256654 HURRPUKBTZVTNR-UHFFFAOYSA-N 325.409 2.620 0 50 EFAA Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3CCC(=O)O)cccc2c1 392688549 XCJZYVMMSVCZIS-AWEZNQCLSA-N 348.424 2.561 0 50 EFAA CC1(C)OCC[C@@H]1CNC(=O)c1cncc2nc(C(F)(F)F)[nH]c12 912714664 CPIGHWPVSYXCPI-MRVPVSSYSA-N 342.321 2.522 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 900907785 AUFFJMMKSIOAFX-SECBINFHSA-N 349.378 2.764 0 50 EFAA COc1ccc(C(=O)N[C@@]2(c3ncc(C)[nH]3)CCOC2)cc1C1CC1 818666708 AEYPKPYTCNFUAR-IBGZPJMESA-N 341.411 2.650 0 50 EFAA CCn1ccc(CNC(=O)[C@H](OC)c2ccccc2C(F)(F)F)n1 822620295 UVBPWXVCFFKFRO-CQSZACIVSA-N 341.333 2.926 0 50 EFAA O=C1CC(CNC(=O)[C@H]2OCCc3ccccc32)(c2ccccc2)C1 1875271105 KJWHJVKKKGTUJB-IBGZPJMESA-N 335.403 2.718 0 50 EFAA Cc1ccn(-c2ccccc2C(=O)N2CCC[C@@H]([C@@H]3CCNC3)C2)n1 1875287399 IPKQROFPBUPNOS-IAGOWNOFSA-N 338.455 2.642 0 50 EFAA O=C(O)c1cc(C(=O)N2CCC[C@@H]2c2cc(F)ccc2Cl)[nH]n1 1875292077 VXLUECICXQHIKZ-CYBMUJFWSA-N 337.738 2.878 0 50 EFAA C[C@H](OC(=O)[C@H]1CCc2nnnn2C1)c1ccccc1C(F)(F)F 1875287260 BODJPPXKEIVKHX-UWVGGRQHSA-N 340.305 2.559 0 50 EFAA CC(C)NC(=O)CN[C@@H](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1875279608 OPAPUHRUGXFGIG-LSDHHAIUSA-N 341.496 2.526 0 50 EFAA Cc1cc(N2CCO[C@H](CC(N)=O)C2)c2ccc(C)c(Cl)c2n1 884566241 DZMJUQVKZGXRGQ-GFCCVEGCSA-N 333.819 2.586 0 50 EFAA COCc1cccc(CN[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)c1 886035917 RXIOCPOHIPOHMN-HZPDHXFCSA-N 344.377 2.864 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccn(-c3ccccc3F)n2)C1 888079284 SNIIYRNBHCWKIT-RHSMWYFYSA-N 341.390 2.697 0 50 EFAA CC1(C)CCC[C@@H](CNC(=O)c2cnc(O)cc2C(F)(F)F)O1 890120612 UKIQOVCUVZTELN-VIFPVBQESA-N 332.322 2.884 0 50 EFAA C[C@@]1(C(=O)NCCc2nc[nH]c2Br)C[C@H]2CC[C@H]1C2 1775987313 ZRWPHQDHFGEMRI-PKFCDNJMSA-N 326.238 2.657 0 50 EFAA c1cc2ccc(-c3nc(C4CCOCC4)nn3[C@H]3CCOC3)nc2[nH]1 2100477147 JRHPJEXUUJSLLN-AWEZNQCLSA-N 339.399 2.677 0 50 EFAA NC1CC(c2noc(-c3ccc(Cn4nnc5ccccc54)cc3)n2)C1 2325772591 BVLYQMXUZGVIHB-UHFFFAOYSA-N 346.394 2.734 0 50 EFAA CO[C@@]1(C(=O)O)CCN(Cc2cccc(-c3ccc(F)cc3)n2)C1 2325787838 ZOQFPOAQOUHHAI-SFHVURJKSA-N 330.359 2.563 0 50 EFAA O=C(Nc1ccccc1N1CCNCC1)c1ccc2ccccc2n1 2325798188 UKJJUKBFXGIEPX-UHFFFAOYSA-N 332.407 2.897 0 50 EFAA O=C(c1ccc(-c2ccsc2)nc1)N1C[C@@H]2CC[C@]2(C(=O)O)C1 2325808324 QUEVJNVSVGKRNZ-GUYCJALGSA-N 328.393 2.747 0 50 EFAA C[C@@H]1CN(C(=O)Cc2nnc(O)c3ccccc23)c2ccccc2N1 2325848437 FZFCQIIRBZSRFY-GFCCVEGCSA-N 334.379 2.725 0 50 EFAA N[C@@]1(c2ccccc2)CCN(C(=O)Cc2cccc3cnccc23)C1 2325857297 WJYZCTSXRGGHQY-NRFANRHFSA-N 331.419 2.864 0 50 EFAA O=C(N[C@H]1c2cccc(O)c2C[C@H]1C(=O)O)c1ccc2[nH]ccc2c1 2332239286 DEQJMLORKTWBPR-PBHICJAKSA-N 336.347 2.602 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 133278 GOELPVDZCUVXRI-UHFFFAOYSA-N 332.718 2.714 0 50 EFAA O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1 309846 DTYVLRZWGHGRPI-SFHVURJKSA-N 348.402 2.516 0 50 EFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 470813 SZRRJMNWDFDSQL-UHFFFAOYSA-N 349.408 2.981 0 50 EFAA CC(C)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297345 RSQQDTRMXJEOCE-UHFFFAOYSA-N 340.379 2.794 0 50 EFAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCOCC1 2423168 QIUPMRNIFGBCHD-UHFFFAOYSA-N 335.363 2.876 0 50 EFAA CC(C)C[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O 4017726 IZXCDEWWKJGNOS-CYBMUJFWSA-N 343.408 2.793 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(O)c3)CC2=O)cc1 4603077 GTOAIUMMTGKMSD-ZDUSSCGKSA-N 340.379 2.783 0 50 EFAA COC(=O)c1sc(NC(=O)c2ccc(C)o2)c(C(=O)OC)c1C 6278955 UGFQRACSINKJFP-UHFFFAOYSA-N 337.353 2.783 0 50 EFAA COc1ccccc1N1CCC[C@H](NC2C[C@H](C)O[C@@H](C)C2)C1=O 222155204 PQFNHZCJDJMALM-DZKIICNBSA-N 332.444 2.736 0 50 EFAA CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCOc1ccccc1 101423333 MABDIDNWXTXREX-LJQANCHMSA-N 338.407 2.852 0 50 EFAA COc1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc(OC)c1C 110880976 WNXMVFQKWBGERG-OAHLLOKOSA-N 348.424 2.682 0 50 EFAA CC(=O)c1cccc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)c1 104409332 NEOSSPVSHVYLME-HXUWFJFHSA-N 330.472 2.724 0 50 EFAA Cc1ccc([C@H](C)CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 246312048 DVUGBEYXVJNKDN-KBAYOESNSA-N 332.444 2.688 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ccc3nc(C)ccc3c2)C1 344009719 KLRPRQLKUWYZIN-AEFFLSMTSA-N 337.427 2.634 0 50 EFAA CN[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 134104563 URHJKRRXDFOBBF-ZDUSSCGKSA-N 325.250 2.592 0 50 EFAA CCCCc1nc(CN2CC[C@@]3(CCCN(C)C3=O)C2)c(Cl)[nH]1 67856137 BBBSYIKRWNPSOE-KRWDZBQOSA-N 338.883 2.850 0 50 EFAA C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1nnc2ccccn12 117584850 VWAXVUBDVIDJOU-KGLIPLIRSA-N 336.395 2.863 0 50 EFAA Cc1oc(-c2cccs2)nc1CNC(=O)c1cn2cccnc2n1 20205044 WAXRBLNAPQLXFB-UHFFFAOYSA-N 339.380 2.684 0 50 EFAA O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc2c(c1)OCO2 32074255 DMFXNSVOUAZSDI-UHFFFAOYSA-N 327.365 2.844 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1Cl 67614243 IRIQXLLGISRWLX-UHFFFAOYSA-N 329.780 2.966 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)no1 252498821 RMFZNXXLMRGBCP-KGLIPLIRSA-N 333.432 2.709 0 50 EFAA Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)on1 252453034 XTJQFIPONVJUKP-BPNCWPANSA-N 332.331 2.796 0 50 EFAA O[C@]1(CN2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1 77300290 GAENRBPROOZPPC-HNNXBMFYSA-N 329.366 2.528 0 50 EFAA CN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)ncn1 71765059 DEXBKITYLSMIIE-INIZCTEOSA-N 326.444 2.990 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@H](O)c1ccccc1F 328642530 RCDLOGIUMJXOPF-VDGAXYAQSA-N 343.446 2.879 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc2)n1 77525106 QUUCWAQUXWLVAW-VQTJNVASSA-N 347.418 2.877 0 50 EFAA O=C(c1c[nH]cn1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12433633 KACXPQAEDYZZFY-HXUWFJFHSA-N 338.455 2.581 0 50 EFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)NC1CCC(C(=N)O)CC1 331892523 HOGIIFDBEQBLGJ-UHFFFAOYSA-N 347.444 2.676 0 50 EFAA C[C@H]1Oc2c(cccc2C(=O)NC2(c3ccccc3F)CC2)NC1=O 126789284 VBXWJMCXIKWOLK-LLVKDONJSA-N 340.354 2.964 0 50 EFAA CC(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)c1 71384789 ADOGVIHHWLHVHA-SNVBAGLBSA-N 338.363 2.595 0 50 EFAA CNC(=O)[C@H]1CCCCN1Cc1cnc(-c2cccc(OC)c2)s1 215560033 DSARAHUGGBDOGP-MRXNPFEDSA-N 345.468 2.919 0 50 EFAA O=C(CC1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72474332 REGXXBSMTAOLSA-RBUKOAKNSA-N 340.467 2.869 0 50 EFAA Cc1nc(NC(=O)N2CC3(CCOCC3)C2)ccc1Br 333580939 ZSMZHQCIEISMES-UHFFFAOYSA-N 340.221 2.797 0 50 EFAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC[C@@](O)(CO)CC1 72121602 UAUOSNRMKQJGEK-FQEVSTJZSA-N 343.398 2.842 0 50 EFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccc(C(=O)O)c1 262218878 QSYGBYFXSIGIKN-UHFFFAOYSA-N 341.363 2.705 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(OCc2ccccn2)cc1 237418650 CUFUWECKHKQCCP-GDBMZVCRSA-N 325.412 2.612 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)s2)CCO1 237686536 YQLFJQTZKKIARO-CYBMUJFWSA-N 331.393 2.968 0 50 EFAA Cc1noc(-c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)O)cc2)n1 237700382 NJAKYTOWYQKUSZ-HNNXBMFYSA-N 343.383 2.905 0 50 EFAA O=c1cc(CN2CCC[C@H]2c2ccc(F)cc2)nc2c(O)cccn12 72158432 RCBPDHCBDCBYHY-INIZCTEOSA-N 339.370 2.876 0 50 EFAA Cc1cc(O)c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)cn1 281173031 BSOWMDJLXGVIMX-ORAYPTAESA-N 346.427 2.680 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)C1CCC(F)(F)CC1 241157247 JWCICLHRCMFYLH-OAHLLOKOSA-N 336.382 2.729 0 50 EFAA O=C(CCc1ccc2ccccc2c1)NCC(=O)Nc1cccnc1 337604170 ADHCPWVTFHSONP-UHFFFAOYSA-N 333.391 2.922 0 50 EFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)c1ccccc1C(F)(F)F 242273577 YEAGQEKAZFXCCW-GYSYKLTISA-N 341.329 2.914 0 50 EFAA CO[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)cn2)CC1(C)C 455549477 XFZXZGJZRGTTOS-LLVKDONJSA-N 329.347 2.962 0 50 EFAA CCCN(C(=O)c1cnc(C(=O)O)cn1)[C@H]1CCc2ccccc2C1 263297419 SUVMIHKFMCYSEK-HNNXBMFYSA-N 339.395 2.585 0 50 EFAA Cc1cc(N(C)C2CCN(CCc3ccccn3)CC2)nc(C)n1 132125800 RMYQZBKQZKVSJA-UHFFFAOYSA-N 325.460 2.632 0 50 EFAA C[C@H](Sc1nncn1C(C)(C)C)C(=O)NCCc1cccs1 284337960 VBCZYCVJGBRPBT-NSHDSACASA-N 338.502 2.934 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)CSc1ccccc1 82097136 BCJSQJPOIRJOSR-UHFFFAOYSA-N 340.408 2.882 0 50 EFAA C[C@H](NC(=O)CSc1ccccn1)c1ccc(-n2cncn2)cc1 222281021 LKQPPYQEQCBZSH-ZDUSSCGKSA-N 339.424 2.632 0 50 EFAA Cc1nc(C(C)C)sc1CNc1cc(C2CC(N)C2)nc(N)n1 223542987 WFSLAGAPVMEOEV-UHFFFAOYSA-N 332.477 2.764 0 50 EFAA COc1c[nH]c(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1=O 426433569 FVQBAVAHKPKXQR-CQSZACIVSA-N 326.396 2.649 0 50 EFAA CCCc1nc(-c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)co1 289133463 NHNVCNKMBAJAOT-LBPRGKRZSA-N 330.388 2.793 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccoc2)no1 237925148 XTZPXXAEDMVABZ-ZDUSSCGKSA-N 347.371 2.508 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 239310109 ICRYGXWBPUOMHG-HPBDAGMYSA-N 335.334 2.785 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 97574873 OGTPHECEGPFRFL-OKILXGFUSA-N 346.814 2.928 0 50 EFAA COc1ccc(CN2CCN(c3ncccc3Cl)CC2=O)cc1 95527277 BJAIUQAXRPMUFD-UHFFFAOYSA-N 331.803 2.592 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)CCCc2csc3ccccc23)CCO1 238051518 NCGILYDJZQNZBY-AWEZNQCLSA-N 347.436 2.926 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)c3cc(CC(C)C)no3)CC2)n1 91665341 IYMNKKOCNWHHKE-UHFFFAOYSA-N 330.432 2.897 0 50 EFAA CCOc1ccc2nc(CN3CCCC[C@@H]3C(=O)NC)ccc2c1 97295308 DDKXTJVQIRHJSJ-GOSISDBHSA-N 327.428 2.734 0 50 EFAA COc1nc2c(cc1C(=O)N(C)Cc1noc3c1CCCC3)CCC2 91677075 HAPWNMFFBZQTJY-UHFFFAOYSA-N 341.411 2.718 0 50 EFAA CCCCn1nc(CC2CCN(C)CC2)nc1-c1cnc(C)cn1 95510635 MEHYAKHGAIAIBG-UHFFFAOYSA-N 328.464 2.728 0 50 EFAA O=C(CC(F)(F)F)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91819222 FNEWQBILAAIGDX-UONOGXRCSA-N 340.345 2.588 0 50 EFAA O=C1NCC[C@@H]1Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 179090070 ONYOVSAEDPKDTR-VIFPVBQESA-N 329.212 2.759 0 50 EFAA O=C(CC1Cc2ccccc2C1)N1CCC(N2CCSCC2)CC1 240517134 NVKDDQIOXYRNHE-UHFFFAOYSA-N 344.524 2.831 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@H]2[C@@]23CCCC[C@@H](C2)[C@H]13 254379193 MPHQGEVRNPUKKN-UFEHZTMNSA-N 337.423 2.887 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)C1 534648713 JIMBPGGCKZLPIM-MRXNPFEDSA-N 340.427 2.587 0 50 EFAA COCCn1ccc2c(OCC(=O)Nc3ccccn3)cccc21 263587077 BUEQKVKQZGZNIG-UHFFFAOYSA-N 325.368 2.700 0 50 EFAA CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C[C@H]1N1CCOCC1 299754045 QUIHGTPRCBNBOS-GSEOLPGOSA-N 342.483 2.668 0 50 EFAA CSCC[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)n1cccc1 263587821 LPKIGSGETZGJOA-CQSZACIVSA-N 345.424 2.752 0 50 EFAA CCc1nnc(CNC(=O)c2ccc(-c3cnn(CC)c3)cc2)s1 534575309 RHZLGEZZFGQMRS-UHFFFAOYSA-N 341.440 2.914 0 50 EFAA CCc1nccn1CCCNC(=O)c1c(C)oc2c1C(=O)CCC2 299796517 OITHWFXIVFQLFM-UHFFFAOYSA-N 329.400 2.686 0 50 EFAA CCN(C(=O)Cc1coc2c(C)c(C)cc(C)c12)[C@H]1COC[C@@H]1O 299788471 PPAQQYDBFLHFSP-HOTGVXAUSA-N 331.412 2.509 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)c2cc(C(C)C)no2)c1C 824424438 YKUQSLHAHFURNA-UHFFFAOYSA-N 345.399 2.735 0 50 EFAA CN1CCCC[C@H]1Cn1cnc2cccc(C(F)(F)F)c2c1=O 584902066 MPUMVYVYHMXEMD-NSHDSACASA-N 325.334 2.900 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)NCc2cc(-c3ccccc3F)no2)C1 1565525427 AENUBCZUUGNQDS-MNOVXSKESA-N 332.331 2.598 0 50 EFAA CC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)c1 408514964 ZBCYGKFBPXKEKK-UHFFFAOYSA-N 345.380 2.982 0 50 EFAA Cc1ccc(C[C@H](C)NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)s1 272308244 YRXOEUGFMBNHMP-CMPLNLGQSA-N 335.477 2.649 0 50 EFAA CC(C)c1nc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cs1 275780019 CHKLIPRQFWIDBS-FZMZJTMJSA-N 334.445 2.650 0 50 EFAA Cc1cc(N2CCC[C@@H](NC(=O)Nc3cc(C(C)C)on3)C2)n(C)n1 278123919 LVZBUJCGJCSJFC-CYBMUJFWSA-N 346.435 2.630 0 50 EFAA Cc1ccc(C(F)(F)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1 278496066 WGJUNKDLBVNZJH-AWEZNQCLSA-N 345.411 2.513 0 50 EFAA CN(C)c1noc(C2CCN(Cc3cccc4[nH]ccc34)CC2)n1 170606887 NTJOFDIRRTUROX-UHFFFAOYSA-N 325.416 2.997 0 50 EFAA CC[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccs1 170602064 WIYAFEAKQMPEQN-VNHYZAJKSA-N 334.445 2.762 0 50 EFAA O=C(NCCCNCc1cccnc1)c1cc2cc(F)ccc2o1 170676312 GRHWZYWXPBDEBR-UHFFFAOYSA-N 327.359 2.877 0 50 EFAA 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Cc1ccc2c(NCCCN3CCC[C@@H](C(N)=O)C3)ccnc2c1C 1506413765 KMIGCNUPEOUZHI-MRXNPFEDSA-N 340.471 2.851 0 50 EFAA CN(Cc1cnc2ccccc2c1)c1nccc(N2CCC[C@H](O)C2)n1 1529144234 UQGOWXNTABBUBL-KRWDZBQOSA-N 349.438 2.622 0 50 EFAA O=C(CCc1cccs1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 220196415 RMXBIOGMGXTRPG-CABCVRRESA-N 332.469 2.540 0 50 EFAA O=C1CN(C(=O)CC(F)(F)F)c2cc(Br)ccc2N1 241644449 PQVBSSAMWJUJAU-UHFFFAOYSA-N 337.095 2.687 0 50 EFAA Cc1ccc(N[C@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1C 12439357 NCCREFDYOVYRJL-INIZCTEOSA-N 328.416 2.640 0 50 EFAA C[C@@H](CN1CCOCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 19877216 VEPNFBINVFZKOL-HNNXBMFYSA-N 335.444 2.627 0 50 EFAA COc1c(C)cc(C(=O)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1C 1857528979 XGFZERZSUAGMRK-KDOFPFPSSA-N 343.427 2.553 0 50 EFAA CCCOc1ccccc1CN1C[C@@H](C(=O)O)C2(CCOCC2)C1 1857685949 BJZQEFGOKLIPSQ-INIZCTEOSA-N 333.428 2.789 0 50 EFAA Cc1nc(N2CCN(c3ccc(F)cn3)[C@@H](C)C2)c2[nH]ccc2n1 1857696826 DUNSUTKTWKLKAS-NSHDSACASA-N 326.379 2.516 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)nn1C(C)C 331435533 JQQGKYUSWDYHRR-CQSZACIVSA-N 348.369 3.084 0 50 EFAA CO[C@]1(c2nnc(CN3CCCc4ccc(C)c(F)c43)o2)CCOC1 644278509 MHQGMSMOLHUWCA-GOSISDBHSA-N 347.390 2.732 0 50 EFAA C[C@H]1CCCC[C@H]1OCC(=O)NC1CCN(Cc2cccnc2)CC1 332977762 ZMLSFQHFBDGALB-QFBILLFUSA-N 345.487 2.758 0 50 EFAA CN(C)c1nccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)n1 340917666 PWPBIXXGUBCBAO-INIZCTEOSA-N 332.835 2.770 0 50 EFAA Cc1ccccc1C[C@H](CO)NCc1cnc([C@H]2CCCO2)s1 342304827 HEFCGCQYZGEUQU-NVXWUHKLSA-N 332.469 2.996 0 50 EFAA Cc1occc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)CCC3)o1 153818202 ACVNXFVBDSDEMW-UHFFFAOYSA-N 345.380 2.928 0 50 EFAA CCc1ccc(NS(=O)(=O)c2cnn(C3CCC3)c2)cc1OC 901933112 XWQKPJBQMMQHPG-UHFFFAOYSA-N 335.429 2.980 0 50 EFAA CCCOc1ccc2ccccc2c1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704326091 WLXIJVJOTANXDX-FUHWJXTLSA-N 343.423 2.896 0 50 EFAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1ncc(C(F)(F)F)cc1Cl 934618477 PIZAIOONWYGGCQ-VIFPVBQESA-N 344.724 2.764 0 50 EFAA Cc1nccnc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC2 872639231 BRWCVUXBJCUHMU-ZDUSSCGKSA-N 331.441 2.703 0 50 EFAA COC[C@@]1(C(=O)OC(C)(C)C)CCCN1Cc1cnn(C(C)C)c1 952963823 LJRVJEDYOAWDJY-GOSISDBHSA-N 337.464 2.787 0 50 EFAA O=C(O)c1cnc([C@@H]2CCCN2Cc2ccnn2C2CCCC2)nc1 1875282573 JZSDQXVILQXKMG-INIZCTEOSA-N 341.415 2.824 0 50 EFAA Cc1nn(-c2ccccc2)c(NC(=O)C[C@H]2CCCC(=O)N2)c1Cl 1875270338 HMEXGDBYJMDXAC-GFCCVEGCSA-N 346.818 2.831 0 50 EFAA C[C@@H]1CN([C@H](C)c2ccccc2)CC[C@H]1NC(=O)CCCN(C)C 1875342225 FMGQYPYDLVPCLC-ZHALLVOQSA-N 331.504 2.916 0 50 EFAA NC(=O)c1cccc2c1CCN(C(=O)NCc1cc3ccccc3o1)C2 1311519209 IZEUCLIASHXXJO-UHFFFAOYSA-N 349.390 2.800 0 50 EFAA Cc1cccc2sc(N3CCC(c4nc(=N)n(C)[nH]4)CC3)nc12 894458312 PBVOTPQGAJKGOI-UHFFFAOYSA-N 328.445 2.530 0 50 EFAA Cc1c(F)ccc(Cl)c1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961687 SCYVZKJFARRCOF-SKDRFNHKSA-N 338.770 2.556 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)o1 1775959153 KVKKXYIMDXYWGL-QVHKTLOISA-N 333.432 2.505 0 50 EFAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2CO1 851607781 SHUICVHOBMVEFD-KBXCAEBGSA-N 339.391 2.630 0 50 EFAA CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 255546 WNYKCRPUNXMPSY-UHFFFAOYSA-N 335.381 2.673 0 50 EFAA COc1ccc(C(=O)n2nnc3ccccc32)cc1Br 358984 XLPOTRXTNFLNRD-UHFFFAOYSA-N 332.157 2.891 0 50 EFAA Cc1ccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1252324 KCAUCQNOPXUCJP-SJORKVTESA-N 342.420 2.607 0 50 EFAA Cc1cc(O)c(Cl)cc1-c1cnc2c(N3CC[C@@H](O)C3)nccn12 2356153728 SFPKBUFUQHBMSG-LLVKDONJSA-N 344.802 2.635 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccncc2)c(OC)cc1Cl 4371797 JHEWIUGDXODDHW-UHFFFAOYSA-N 328.777 2.553 0 50 EFAA Cc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCCO3)n2)cc1 4433832 PYHVAXDXVLOFOZ-OAHLLOKOSA-N 329.400 2.663 0 50 EFAA C[C@H](NC(=S)N1CCC(C(N)=O)CC1)C12CC3CC(CC(C3)C1)C2 4693955 KJMXZQDLDLKBFA-UHSVVUDUSA-N 349.544 2.663 0 50 EFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2noc(C3CC3)n2)c1 55404291 NXODCKYWILOJHX-CYBMUJFWSA-N 329.400 2.990 0 50 EFAA COCC[C@H](C)N1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccc(F)c(F)c1 248164485 NMSLMXUPOOJFTL-PKWAYOAASA-N 341.354 2.754 0 50 EFAA Cc1cc(-c2nc3c([nH]2)C[C@H](c2ccc(Cl)cc2)CNC3=O)[nH]n1 67641170 ZBTSCWOYOVGUBW-NSHDSACASA-N 341.802 2.831 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)c1cccc2c1OCCO2 63583145 GXOIGQVWZSOHDA-UHFFFAOYSA-N 335.363 2.574 0 50 EFAA CC(=O)Nc1nc(-c2ccc(C)cc2)c(CN2CCOCC2)s1 22184965 JODDCQBFJLPKIS-UHFFFAOYSA-N 331.441 2.909 0 50 EFAA CC[C@H](c1nc(-c2c(C)ncc3c2CCNC3)no1)N1CCCC1 20481185 FVEUMSXYNBEFJY-OAHLLOKOSA-N 327.432 2.633 0 50 EFAA CN(Cc1ccc(O[C@@]23CCCN(CC2)C3)cc1)CC1(C)COC1 67982088 AIHFIOPMEHVLRW-FQEVSTJZSA-N 330.472 2.772 0 50 EFAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)nc3n2)s1 2800511 SGVOBZLCAUBSDQ-UHFFFAOYSA-N 328.275 2.878 0 50 EFAA C[C@@H](c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 252474963 PKYQNHHHCMVQRN-FUHIMQAGSA-N 325.456 2.882 0 50 EFAA C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 230096694 HMEXBWREPRWJIO-HHXXYDBFSA-N 345.487 2.839 0 50 EFAA Cc1cn2c(n1)CN(C(=O)c1cnn(CC(C)C)c1C(F)F)CC2 252537199 KQTQAYUTTUGWRE-UHFFFAOYSA-N 337.374 2.638 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2Cn2cc(C)cn2)cc1 253604386 ZJUADQDJYSJARA-WDSOQIARSA-N 339.439 2.995 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 253396978 BWCAWADKKIGBRC-GFCCVEGCSA-N 346.431 2.736 0 50 EFAA CC[C@@H]1C[C@@H](CC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)CCO1 330782404 GVKZTROABASYCP-VVLHAWIVSA-N 340.508 2.586 0 50 EFAA CCc1c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)[nH]c2ccccc12 12751097 JLBMOCQIDOXIAE-CQSZACIVSA-N 349.438 2.919 0 50 EFAA COc1ncccc1-n1ccnc1-c1ccccc1O[C@H](C)C(=O)O 72131873 JPXSTPMUAIPWFK-GFCCVEGCSA-N 339.351 2.795 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)c1 280317213 UEHPUTASYSMWPM-WMZOPIPTSA-N 331.456 2.706 0 50 EFAA Cc1nc(-c2cccnc2)nc(N2CCC[C@@H](c3nc[nH]n3)C2)c1C 364875974 DUWMSAQZRYEHFJ-OAHLLOKOSA-N 335.415 2.658 0 50 EFAA CCc1nc(C)ccc1OCC(=O)N(C)CCc1scnc1C 72410960 LCBGJBKKTDHOJD-UHFFFAOYSA-N 333.457 2.797 0 50 EFAA C[C@@H](Cn1cccn1)Nc1nc(-c2ccccc2)nc2c1CCNCC2 72420067 OOXQONBCPAUVCY-HNNXBMFYSA-N 348.454 2.529 0 50 EFAA NC(=O)COc1ccc(CN2CCC[C@H]2c2ccccn2)cc1Cl 215053700 ZJWKUOLUXUSVMN-INIZCTEOSA-N 345.830 2.936 0 50 EFAA CN(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 374939481 ZQDPFYGOAMZIFN-KTWXZFIHSA-N 349.906 2.932 0 50 EFAA C[C@H]1C[C@H](CO)CN(C(=O)Nc2ncc(C3CCOCC3)s2)C1 333821695 HSKPXOMOOYQHDQ-RYUDHWBXSA-N 339.461 2.519 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc(C2CC(O)C2)ncn1 219593329 KSTUSBUXBKIBSA-UHFFFAOYSA-N 335.411 2.741 0 50 EFAA CC(=O)NCC[C@@H]1CCCCN1Cc1ccc2c(c1)OC(F)(F)O2 77354748 NMCKNZFJIPTOLP-AWEZNQCLSA-N 340.370 2.889 0 50 EFAA O=C(CC[C@@H]1CCCO1)N1CCN(C/C=C/c2ccccc2)CC1 46122849 MLFAZNCYBPJONU-AMGQUURNSA-N 328.456 2.803 0 50 EFAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(Cl)cc1 136321609 WJQZUSWGRJVCCG-QWHCGFSZSA-N 343.807 2.830 0 50 EFAA N[C@@H]1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 237912706 CREGGPFVFHRFSY-SNVBAGLBSA-N 343.374 2.807 0 50 EFAA 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IBOJJMIRADRUOB-INIZCTEOSA-N 348.454 2.790 0 50 EFAA CCCN(C/C=C/c1ccccc1)C(=O)Cc1c(C)nc(C)[nH]c1=O 71777089 JTIWRQCHZHVLLI-DHZHZOJOSA-N 339.439 2.881 0 50 EFAA Cc1cc(N2CCC[C@](Cc3ccccc3C)(C(=O)O)C2)nc(N)n1 71754513 ZZHINVPRFSAPSE-LJQANCHMSA-N 340.427 2.590 0 50 EFAA Cc1cccc(N2CCC(N3CCC[C@]4(CNC(=O)O4)C3)CC2)c1C 72426895 ZPKMFFVFCKNKAE-FQEVSTJZSA-N 343.471 2.847 0 50 EFAA CC[C@@H]1C[C@H](CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CCO1 330782210 GVKZTROABASYCP-QBPKDAKJSA-N 340.508 2.586 0 50 EFAA O=C(CC1=CSC2=NCCCN12)NCc1cc2cc(F)ccc2[nH]1 219932707 MKUXCBRODPZFFL-UHFFFAOYSA-N 344.415 2.963 0 50 EFAA O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC12CCOCC2 375525825 NMLDZSDSGMYPGN-ZDUSSCGKSA-N 330.211 2.808 0 50 EFAA CSc1ccc([C@@H](CC(=O)O)NC(=O)c2c(C)nn(C)c2C)cc1 262270103 YIESGNBSVSZVMW-CQSZACIVSA-N 347.440 2.705 0 50 EFAA CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(C)cc3c(C)ccnc23)C1 241262072 LBCXSIBGLRZTJW-INIZCTEOSA-N 339.439 2.792 0 50 EFAA Cn1cnc2c(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)ccnc21 376889398 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340.414 2.592 0 50 EFAA CCn1ccnc1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 242047794 VQEUWAKZOABISU-KRWDZBQOSA-N 344.434 2.886 0 50 EFAA CC(C)[C@@H](NC(=O)c1snc(O)c1Cl)c1nc(C2CC2)no1 283016358 JLWCVJPQRHCNFS-MRVPVSSYSA-N 342.808 2.890 0 50 EFAA Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cn3cncn3)cc1)C2 173383626 NXSIKZFWOGTTAK-LJQANCHMSA-N 348.406 2.885 0 50 EFAA CC(C)(CCS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 173302028 DJPPPCYZHSBUNM-STQMWFEESA-N 343.876 2.773 0 50 EFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCC1=CCCCC1 40286388 MRMMLMYDIPUFJN-UHFFFAOYSA-N 337.423 2.917 0 50 EFAA CCc1c(C)nn(CC(=O)NCc2cc3cc(F)ccc3[nH]2)c1C 223088667 SILHHEDSKMNMLE-UHFFFAOYSA-N 328.391 2.999 0 50 EFAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1nnnn1-c1ccccc1 285385781 ZPOXHBZSOVOGFR-SCTDSRPQSA-N 341.459 2.568 0 50 EFAA C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](CNc2ccccn2)C1 222197359 QAKVHLOUCSFIGE-CABCVRRESA-N 349.438 2.813 0 50 EFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCOC2=O)ccc1F 426489833 AGTGWAREYNEIGT-MUJYYYPQSA-N 346.402 2.823 0 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CCN1C[C@@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)CCC1=O 91256062 UHKNPPDVQGRKFR-AWEZNQCLSA-N 344.386 2.960 0 50 EFAA Cc1ccc2nc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cn2c1 91586136 QNLOISNQYSZNEN-KRWDZBQOSA-N 339.370 2.996 0 50 EFAA Cc1cccc2cc(C(=O)N3C[C@H](CO)[C@H](CN4CCCC4)C3)oc12 91997914 UOANPYWMVQISRK-IAGOWNOFSA-N 342.439 2.518 0 50 EFAA Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)o1 91713984 IRENQZFWPCFTJI-NVXWUHKLSA-N 325.412 2.720 0 50 EFAA COc1ccccc1COc1cccc(N[C@@H]2CCNC2=O)c1C 179373452 BQUJWKPMEBIOQM-MRXNPFEDSA-N 326.396 2.883 0 50 EFAA CCCc1cc(C(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)no1 296014522 MUTKKBBUWHZBLR-ZIAGYGMSSA-N 326.400 2.821 0 50 EFAA CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3F)s2)CCO1 182440724 RDJPIHHZCDACOB-HNNXBMFYSA-N 334.416 2.501 0 50 EFAA COc1cccc(-c2nsc(NC(=O)NC[C@@]3(C)CCCO3)n2)c1 184115178 QQNFGZMQVUQJSD-MRXNPFEDSA-N 348.428 2.904 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 299745676 RTUITBHRXPVGLT-INIZCTEOSA-N 344.455 2.999 0 50 EFAA Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](CC(=O)O)CC3)nc12 299745536 QYLMVBFXONVTIP-AWEZNQCLSA-N 343.427 2.907 0 50 EFAA O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 973716775 NQZGIYWYULLEQQ-NTZUZEMLSA-N 342.483 2.982 0 50 EFAA CCN1CC[C@@H](CN(CC)S(=O)(=O)c2cc(C)sc2C)C1 952990818 UBLWTSCQFWJNLG-CQSZACIVSA-N 330.519 2.717 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCSC2(CCCCC2)C1 408473602 CEHUSWKYMIMYMY-HUUCEWRRSA-N 349.500 2.776 0 50 EFAA COC(=O)[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3OC[C@@H]2C)C1 272894667 FIDKFAJTQZIGHV-RRFJBIMHSA-N 331.412 2.776 0 50 EFAA Cn1ccnc1[C@H]1OCCC[C@@H]1Nc1nccc(C(F)(F)F)n1 275636682 SRGBMLOBGXAMOJ-ONGXEEELSA-N 327.310 2.561 0 50 EFAA CC(C)OCc1c(C(=O)NC[C@H]2CCCC(=O)N2)oc2ccccc12 683974106 CXMBVZKCXMLCEH-CYBMUJFWSA-N 344.411 2.756 0 50 EFAA O=C1C[C@H](C(=O)NC[C@@H]2CCc3ccccc3C2)[C@@H]2CCCC[C@@H]2N1 668860900 TVJLSIUOCJTCOL-FCLVOEFKSA-N 340.467 2.603 0 50 EFAA Nc1ncncc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 192344581 UYGUDUFEPHFHHB-UHFFFAOYSA-N 336.317 2.539 0 50 EFAA CCc1onc(C)c1C(=O)NCc1ccc(CN2CCCC2=O)cc1 193701852 LSKBDDMTJBPATR-UHFFFAOYSA-N 341.411 2.598 0 50 EFAA Cc1ccc(Cn2nccc2NC(=O)c2ccn(CC(F)F)n2)cc1 194001703 NMWAYMAYXRYQHG-UHFFFAOYSA-N 345.353 2.954 0 50 EFAA Cc1nc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)sc1C(=O)O 679399518 ATUUYSTXXZESIJ-RYUDHWBXSA-N 334.372 2.709 0 50 EFAA c1ccc(CN2CCCO[C@H](CNc3ncnc4cc[nH]c34)C2)cc1 1772806271 ATQHCHORDPHLOB-MRXNPFEDSA-N 337.427 2.661 0 50 EFAA CCCOc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 5050179 MCQZEPHIUSDXNB-UHFFFAOYSA-N 326.396 2.773 0 50 EFAA CN(Cc1cccnc1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12203645 GNULGOXXRANQAP-SFHVURJKSA-N 343.471 2.859 0 50 EFAA Cc1ccc(OCc2cc(C(=O)NCC[C@H]3CCCCO3)no2)cn1 12308985 FGIKJOBKYNNLGA-CQSZACIVSA-N 345.399 2.646 0 50 EFAA Cc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c(C)c1 13683985 JZOPZSGLAJGSDJ-MRXNPFEDSA-N 334.379 2.829 0 50 EFAA O=C(NCCc1ccco1)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1 14999553 UALYFJANWDQQAJ-INIZCTEOSA-N 332.787 2.979 0 50 EFAA Cc1cccc(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 16578803 XJKUQZCQTGFPBL-UHFFFAOYSA-N 348.443 2.786 0 50 EFAA COc1cccc2c1OC[C@H](NCc1cccn1-c1ccccn1)C2 19792769 XFMAQRPBNSMFNP-MRXNPFEDSA-N 335.407 2.974 0 50 EFAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(C(=O)O)cc1 5581834 AZWJKEWVFXUXEK-IZZDOVSWSA-N 326.377 2.911 0 50 EFAA CCCN1CCC[C@H](n2ccnc2-c2ccc(OCCO)cc2)C1 1857677039 WAXVGLQVKOJSHZ-KRWDZBQOSA-N 329.444 2.968 0 50 EFAA COc1ccccc1CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225540634 VRRYAKBAGLTYLR-IAGOWNOFSA-N 329.371 2.711 0 50 EFAA Cc1cccc2c(NC[C@@H]3CCN(C)[C@H]3c3cccnc3)ncnc12 328618931 FFXLRGJGHPKYED-LPHOPBHVSA-N 333.439 3.438 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)cc1 671494675 KCJQLSLYVDURGD-KRWDZBQOSA-N 339.443 2.526 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)s1 262400479 CGJQOMUMHSFVAQ-XQQFMLRXSA-N 343.470 2.771 0 50 EFAA NC(=O)c1ccc(CN(Cc2cccc(C(=O)O)c2)C2CC2)c(F)c1 263450153 ZHZLEHXWYKGGLT-UHFFFAOYSA-N 342.370 2.787 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1)[C@H](C)C2 902074186 JMHZNBSAWSPOIN-FHIHXZLISA-N 331.412 2.614 0 50 EFAA O=C(Nc1ccccn1)[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 862221714 DMEVVBRTVLBUMC-AWEZNQCLSA-N 326.400 2.798 0 50 EFAA Cn1ccnc1C1(O)CCN(Cc2ccc(OC(F)F)cc2)CC1 952880651 HSBBVWSQIKEDQR-UHFFFAOYSA-N 337.370 2.505 0 50 EFAA CCC[C@H](CCc1ccccc1)C(=O)N[C@@H](C)CS(C)(=O)=O 1875290003 FIRDDJNVOSEKQH-GOEBONIOSA-N 325.474 2.585 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCc2oc3ccc(F)cc3c2C)CC1 1875369237 COFPDUJXIDNLPH-UHFFFAOYSA-N 344.386 2.921 0 50 EFAA CCS[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)[C@@]1(C)CCCS1 1875354148 BLCCOSUPDAUSBQ-DVOMOZLQSA-N 344.546 2.521 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)O)C2 1875306208 XGSBTYKSHCAIPV-AEGPPILISA-N 345.443 2.651 0 50 EFAA COc1cc(OC)c(C[S@@](=O)[C@H]2CCc3ccccc3C2)cn1 1875309530 BEFWRQCADUZLPV-QMHKHESXSA-N 331.437 2.905 0 50 EFAA C[C@@H](OC1CN(C2=NC[C@@H](c3ccc(F)cc3)N2C)C1)C(F)(F)F 1875405341 DFJPOMIFGZZZOV-YGRLFVJLSA-N 345.340 2.820 0 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Cc1cccc2nc(CN3CCN(C)C(=O)[C@@H]3Cc3ccccc3)cn12 2325839340 QJPVIQRZQRBFJB-IBGZPJMESA-N 348.450 2.528 0 50 EFAA O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 387188 NAPSEVBGLAFDLR-UHFFFAOYSA-N 325.773 2.912 0 50 EFAA COc1ccccc1C(=O)NC(=S)Nc1ccc(N(C)C)cc1 453975 HPHNNBIOFBSRAJ-UHFFFAOYSA-N 329.425 2.888 0 50 EFAA C[C@@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3ccc(O)cc3)n21 2356135756 RYSIBAVEDMFOGO-CQSZACIVSA-N 348.406 2.797 0 50 EFAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 2350871 ZHNDKTJEVMOWQM-UHFFFAOYSA-N 338.477 2.752 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)c2ccc(-c3cnco3)cc2)C1=O 2356154593 BHZJPNGMEDWVGR-IBGZPJMESA-N 339.395 2.569 0 50 EFAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCc1ncc[nH]1 412103309 ZEFUTFQCWFMLFK-NSHDSACASA-N 341.333 2.846 0 50 EFAA O[C@@]1(CNc2cc(N3CCCC3)ncn2)CCC[C@H](C(F)(F)F)C1 225488539 XDUHDBZRTFMWRB-WFASDCNBSA-N 344.381 2.972 0 50 EFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1Cl 101514010 WSWWFYFEDXGTDZ-GREKMHCPSA-N 346.814 2.700 0 50 EFAA CN(C)CCCN(C)[C@H]1CCCN(C(=O)CSc2ccccc2)C1 20682589 QCZWIAGMXCMYCG-KRWDZBQOSA-N 349.544 2.653 0 50 EFAA COC(=O)CC1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1 61721955 LHNKCJRWQDSXFC-UHFFFAOYSA-N 332.375 2.582 0 50 EFAA COc1cccc(C[C@H]2CN(C3CSCCSC3)CCO2)c1 23340212 LDKHYMQFLYYXAF-KRWDZBQOSA-N 339.526 2.787 0 50 EFAA CCC[C@@H]1C=CCN1C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67855431 HAPZIMYOFUTLKO-OAHLLOKOSA-N 335.411 2.988 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 67630419 KFKVDACLFMYYBF-RISCZKNCSA-N 330.428 2.839 0 50 EFAA CC(C)n1ncc2cc(CN[C@]3(CO)CCc4ccccc43)cnc21 135880116 RBYBPNGJMLSGEX-FQEVSTJZSA-N 336.439 2.936 0 50 EFAA Cn1nnc2ccc(C(=O)Nc3ccc(-c4csnn4)cc3)cc21 347680089 XRTZZOLLGYHGDI-UHFFFAOYSA-N 336.380 2.739 0 50 EFAA CC(C)(C(=O)NC[C@@H]1CCN(Cc2cccnc2)C1)c1ccccc1 67856779 HHNFLJFLSJEVMA-SFHVURJKSA-N 337.467 2.998 0 50 EFAA C[C@@H](NC(=O)CCCN1CCCC1)c1ccccc1-n1cccn1 219296591 XRODVPVAFHNWES-MRXNPFEDSA-N 326.444 2.926 0 50 EFAA COCC1(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CCC1 252500130 SNMJAKHMEZFIPF-GFCCVEGCSA-N 345.399 2.739 0 50 EFAA O=C([C@H]1Cc2ccccc2O1)N1CCC(OCc2cccnc2)CC1 77471049 UNXOYVYIMLHJIL-LJQANCHMSA-N 338.407 2.593 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 252666556 BWRHBHJQJYHZRS-IQZDNPOKSA-N 328.456 2.581 0 50 EFAA O=C(NCCc1cccc(Cl)c1)N1CCN(C(=O)C2CCC2)CC1 77511619 KIEHTQWWUXUCPK-UHFFFAOYSA-N 349.862 2.536 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)N1 427798962 OVTHYNJTOZIVSJ-GFCCVEGCSA-N 347.321 2.759 0 50 EFAA CC(C)c1nnc(C(=O)NCCN2CCc3sccc3C2)s1 253405523 NPHNMUZEVWGPEG-UHFFFAOYSA-N 336.486 2.511 0 50 EFAA O=C(N1CCN(c2ccccc2F)CC1)C1(c2cccnc2)CC1 253432203 WXMKIPCUBGANLX-UHFFFAOYSA-N 325.387 2.601 0 50 EFAA CCn1cc(S(=O)(=O)N[C@H](C)c2cccc(C)c2)cc1C(=O)O 321814087 MTFDNYOXVHTAKW-GFCCVEGCSA-N 336.413 2.554 0 50 EFAA O=C(CC[C@@H]1CCOC1)NCCc1cnc(SC2CCCC2)nc1 357075021 NTUBVRDMEGWHAH-CQSZACIVSA-N 349.500 2.987 0 50 EFAA Cn1nccc1C1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 153026676 NSOBUBGMLPWKEB-UHFFFAOYSA-N 342.447 2.919 0 50 EFAA CC[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)CCN1C(C)C 72149160 FLXWPWHGWRXVAL-NRFANRHFSA-N 345.531 2.823 0 50 EFAA O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 72152737 CRPBWWCPFCBHDF-MRXNPFEDSA-N 348.443 2.769 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)NCCCn2ccccc2=O)cc1 77730876 VFIVPQUKAWJCIW-HNNXBMFYSA-N 330.453 2.844 0 50 EFAA CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC(C)(c2ccccc2F)C1 372908103 QNLCTLMIVZJVSV-GOSISDBHSA-N 348.462 2.719 0 50 EFAA CN1CC2(CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)CC1=O 72431289 YSXYAKHTFAGYHL-UHFFFAOYSA-N 330.476 2.587 0 50 EFAA CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](OC)CC1 378636224 WPDOAJZFOSNCER-ROUUACIJSA-N 346.471 2.542 0 50 EFAA COC(=O)c1n[nH]cc1CN1CCC[C@@H](COc2ccc(C)cc2)C1 72156920 BLERULOICTYOIF-OAHLLOKOSA-N 343.427 2.796 0 50 EFAA Cc1csc2ncnc(N3CCC4(CCC4)S(=O)(=O)CC3)c12 334059531 XYRWIUCEXRVIGL-UHFFFAOYSA-N 337.470 2.547 0 50 EFAA CCC[C@@H]1CN(Cc2ccc(OCC)c(OC)c2)C[C@H]1NC(C)=O 82156800 WYJLMIIARXKKQG-IAGOWNOFSA-N 334.460 2.831 0 50 EFAA COc1ncccc1C(=O)N(C)Cc1nccn1Cc1ccccc1 81099777 DMBUZNUGYHQCDO-UHFFFAOYSA-N 336.395 2.607 0 50 EFAA O=C(CCCn1cncn1)N1CCCC[C@@H]1CCc1ccc(O)cc1 82097607 QOQYRPGCJPIQOQ-QGZVFWFLSA-N 342.443 2.778 0 50 EFAA Cc1ccccc1Cc1noc(CN2CC[C@H](N3CCCC3)C2)n1 175630563 MRBJOZXJQIKPDQ-KRWDZBQOSA-N 326.444 2.639 0 50 EFAA O=C(NCc1ccc(F)cc1Br)N[C@H]1CCCOC1 287177845 NJWDGDXIIHUFIY-NSHDSACASA-N 331.185 2.566 0 50 EFAA O=C(NC[C@H]1CC[C@@H](O)C1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 287789720 BEAOBOFDWFGTMW-XDKFSHSGSA-N 328.456 2.640 0 50 EFAA Cc1nn(-c2ccccn2)c(C)c1[C@H]1NC(=O)c2ccccc2N1C 225776563 AQUGLCCYBAOGHJ-SFHVURJKSA-N 333.395 2.763 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccn(C(F)F)n1 222751127 LTNBUGWRQWAHIT-NSHDSACASA-N 338.333 2.674 0 50 EFAA Cc1ccnc([C@@H](NC(=O)Nc2ccc3c(c2)nnn3C)C2CC2)c1 426404236 LKEIEJIYIZDKOJ-KRWDZBQOSA-N 336.399 2.945 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCCN3C)c2n1 97637856 OZEMSHNBFGBOCF-MRXNPFEDSA-N 327.428 2.523 0 50 EFAA COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 95921314 BKCDJTRMYWSXMC-UHFFFAOYSA-N 329.444 2.984 0 50 EFAA in-vitro CCN1CC2(CCN(CCC(=O)O)CC2)C[C@@H](c2ccccc2)C1=O 95368577 DFCWMPRBTRWCID-KRWDZBQOSA-N 344.455 2.579 0 50 EFAA CC(C)n1cnnc1CN1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91645088 TZZMFQJVCKJSSP-LJQANCHMSA-N 345.491 2.616 0 50 EFAA CC[C@]1(CO)CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 91663483 XSVWAKODROUTKY-NRFANRHFSA-N 344.499 2.877 0 50 EFAA Cc1ccc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)o1 97527807 PBNMKURGFMZHNR-GOSISDBHSA-N 342.439 2.832 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cn1 179168052 IQXAMNDFZJMOEN-ZDUSSCGKSA-N 333.823 2.851 0 50 EFAA Cc1cccnc1N1CCN([C@H](C(=O)O)c2cccc(C)c2F)CC1 95512280 LNTLYINUPIIHDH-KRWDZBQOSA-N 343.402 2.785 0 50 EFAA Cc1csc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 244899703 ZOLCXDKBFNTHDJ-HNNXBMFYSA-N 336.482 2.641 0 50 EFAA CCc1nn(C)cc1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 296940751 PMVAJDWBRLHNND-LLVKDONJSA-N 334.342 2.556 0 50 EFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)CCc2ccc(C)o2)cn1 299740484 BBTQSYFAHSAAFA-MAUKXSAKSA-N 330.384 2.571 0 50 EFAA Cc1nc2c(n1[C@H]1CCN(CCCc3cnn(C)c3)C1)CCCC2 299743334 NHELRTVDZNJWMB-KRWDZBQOSA-N 327.476 2.683 0 50 EFAA CC[C@@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1cccc(C)n1 299795774 MBIWSDAFRDHZND-OAHLLOKOSA-N 328.416 2.673 0 50 EFAA Nc1ncc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cn1 952969114 PSUGDLXQOOSZNX-NPQIQWPPSA-N 349.394 2.619 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)CCn2c(C)cccc2=O)c(C)s1 952965449 QPXSRHNASQJYBP-GFCCVEGCSA-N 333.457 2.840 0 50 EFAA OC[C@@H](C[C@H](O)c1ccccc1)NCC1=Cc2ccccc2OC1 269944203 PTCUKJQUTIIAIY-MOPGFXCFSA-N 325.408 2.537 0 50 EFAA CN(C(=O)c1cnccn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 186680378 UHDCEUHFLYDQLS-UONOGXRCSA-N 338.194 2.514 0 50 EFAA N[C@H](C(=O)Nc1nnc(Cc2ccsc2)s1)c1ccccc1 170046667 RTSVHMXSKIHPJX-ZDUSSCGKSA-N 330.438 2.829 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCc1nccn1C 170593648 SMJDNULVTMTPNQ-OAHLLOKOSA-N 344.463 2.629 0 50 EFAA FC(F)(F)COCCN1CCN(c2cncc3ccccc23)CC1 170607349 OJUQGTSGXHFFOQ-UHFFFAOYSA-N 339.361 2.936 0 50 EFAA O=C(NCCc1csc(NC(=O)c2ccoc2)n1)c1ccoc1 170615890 OETMSNCICWVUJF-UHFFFAOYSA-N 331.353 2.554 0 50 EFAA O=C(NCc1cccc2ccccc12)N1CCC[C@@H](OCCO)C1 188040941 WAKLUAVBLRBAMT-QGZVFWFLSA-N 328.412 2.523 0 50 EFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccncc1C 188833735 MIGXXVMRGBDGOU-LJQANCHMSA-N 337.423 2.542 0 50 EFAA O=S(=O)(CC[C@@H]1CCc2ccccc21)N1CC[C@H](n2cccn2)C1 641506263 YLXMJCDKIPXWRS-IRXDYDNUSA-N 345.468 2.580 0 50 EFAA O=C(O)c1ccc(N2CCC[C@](CO)(Cc3ccccc3)C2)nc1 647455594 FIUZIGIMATUXCR-IBGZPJMESA-N 326.396 2.601 0 50 EFAA Cc1ccnc(NC(=O)[C@H](C)Oc2ccccc2Br)n1 194662803 WWCSZWRLFOGLJL-JTQLQIEISA-N 336.189 2.954 0 50 EFAA O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@H](O)c1cccc(F)c1 755500475 IHRXNBIFJDEHJU-INIZCTEOSA-N 349.789 2.806 0 50 EFAA CC(C)(C)OC(=O)[C@H](c1ccc(Cl)cc1Cl)[C@@H](N)C(=O)O 199479412 FBQNQJPQGYHJJS-GHMZBOCLSA-N 334.199 2.831 0 50 EFAA O=S(=O)(Cc1noc(C2CC2)n1)NCc1csc2ccccc12 1653624294 YPTAPOGLJHNSKE-UHFFFAOYSA-N 349.437 2.781 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cs1 212045171 OYAKJSSLHOUTDO-ZBFHGGJFSA-N 332.469 2.920 0 50 EFAA Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cnn1C 1529152938 NSDNFXUJIJTFGR-OAHLLOKOSA-N 340.427 2.844 0 50 EFAA CN(Cc1cnc(Cl)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 141028173 DEENILSJDHPXBV-UHFFFAOYSA-N 340.855 2.961 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704340133 OJWWJPYZADQSFI-FQEVSTJZSA-N 337.471 2.726 0 50 EFAA CCN1CCn2c(nnc2-c2csc(-c3ccccc3)n2)C1=O 1772812208 IUEVGLIVJGHCDH-UHFFFAOYSA-N 325.397 2.544 0 50 EFAA CCOC(=O)N[C@H](Oc1cc(C)ncn1)C(Cl)(Cl)Cl 5672633 DCZUMEMPYBTOJE-MRVPVSSYSA-N 328.583 2.606 0 50 EFAA COc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1OC 12631074 OWNUPIJCCZZVMY-UHFFFAOYSA-N 332.444 2.794 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)cc1 16578542 LIRHDPUCFMTKTC-UHFFFAOYSA-N 335.367 2.786 0 50 EFAA Cc1cc(CNC(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)ccc1Br 1857530138 PCCRWMJDRYISLL-XBFCOCLRSA-N 339.233 2.877 0 50 EFAA O=C1C[C@H](Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CN1 1857705340 CULAJOZNKIEDAJ-NSHDSACASA-N 342.399 2.949 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCCc3cccs3)C[C@]23CC[C@H]1O3 1857722576 YVSUBXCMNYHLGJ-DODZYUBVSA-N 348.512 2.638 0 50 EFAA COCCOCCn1cc(Br)c(-c2ccc(F)cn2)n1 408525315 VZXBKCRJELJDLY-UHFFFAOYSA-N 344.184 2.510 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 4113624 SWIZHUQSYHEPOO-AWEZNQCLSA-N 338.404 2.750 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2csc3c2CC[C@@H](C)C3)n1 328612722 PMLYPOBGKFYTEV-OLUVUFQESA-N 347.440 2.512 0 50 EFAA Cc1cnccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 122054893 DYHOUPVIUFIGJU-HNNXBMFYSA-N 344.802 2.970 0 50 EFAA Cc1ccc(-n2[nH]c(C(=O)N3CCCC[C@@H]3C(F)F)cc2=O)cc1 337593477 NZFHHENLNVIBOK-CQSZACIVSA-N 335.354 2.734 0 50 EFAA O=C(c1cnc(OCC2CC2)cn1)N1CC[C@@H]1c1ccccc1F 377132554 XRVBDDSWTNIBQL-MRXNPFEDSA-N 327.359 2.992 0 50 EFAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 901032551 SAMHGCBQKUBJOJ-VFVRVIDISA-N 341.411 2.933 0 50 EFAA CNc1ccc(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)cn1 803175329 DCZAYSXZLMVMFY-ZDUSSCGKSA-N 328.391 2.613 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(Cl)cc2F)C[C@@H]1O 1704330211 FNYPJDFNLINPLD-HOCLYGCPSA-N 329.799 2.917 0 50 EFAA O=C(c1cc(O)nc2c1CCCC2)N1CCC[C@H]1CN1CCCCC1 931768646 NKTJTXKSAORMFH-HNNXBMFYSA-N 343.471 2.757 0 50 EFAA O=C(c1cc(C(F)F)ncn1)N1CCC(C2CCOCC2)CC1 935055350 GKNYPHIJJKZSOS-UHFFFAOYSA-N 325.359 2.693 0 50 EFAA Cc1nc(N(C)C2CCN(CCC(F)(F)F)CC2)c2c[nH]nc2n1 1875286771 FJBFCUCBYJZVLL-UHFFFAOYSA-N 342.369 2.514 0 50 EFAA COc1cc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(F)cn1 886079999 JCRKVNRFUWMAIW-FHSNZYRGSA-N 348.422 2.781 0 50 EFAA O=C(c1cc2c(o1)CCCC2)N(C[C@H]1CCCO1)c1ccnnc1 1775306308 HTXBLPJAVGSXIH-OAHLLOKOSA-N 327.384 2.774 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccccc1C 1775956839 IZPVKSREEBVPKE-YJKLHDBZSA-N 329.440 2.787 0 50 EFAA Cc1nsc2ncc(C(=O)Nc3cccc(OCCN)c3)cc12 2325745567 KNPQHOCHHIVXJJ-UHFFFAOYSA-N 328.397 2.590 0 50 EFAA O=C(Nc1ccnn1C[C@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 2325767635 JBVRMSCDNKPULD-KWCYVHTRSA-N 347.365 2.940 0 50 EFAA Cc1csc2c(C(=O)NC[C@H](C)Cn3ccnc3C)ncnc12 2325771222 KNQFOUVVVUDWGU-JTQLQIEISA-N 329.429 2.571 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)OCC[C@@H](C)O)c(Br)c1 849699738 FABVHEVZLOLMMT-MNOVXSKESA-N 331.206 2.839 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@]3(N)CCOC(C)(C)C3)cc2)c1C 2325795762 XNGUPIJSSKYQDD-IBGZPJMESA-N 342.443 2.714 0 50 EFAA C[C@@H](Cc1nn[nH]n1)N(C)C(=O)c1ccc(-c2cccs2)s1 2325807165 FNOIYTCFJYEHRA-VIFPVBQESA-N 333.442 2.693 0 50 EFAA O=C(O)Cc1ccc2c(c1)N(C(=O)[C@H]1OCCc3ccccc31)CC2 2325808236 IAPYMHXXEUADNX-IBGZPJMESA-N 337.375 2.517 0 50 EFAA Cn1cncc1CN1CC(=O)Nc2ccccc2[C@H]1c1ccccc1 2325870396 WAFKMMHKUHKSRW-HXUWFJFHSA-N 332.407 2.964 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCn4ncnc43)cc2)c1C 1450471660 RCEAUULSHLLDSB-MRXNPFEDSA-N 336.399 2.597 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 117006 RQRQLWGBNQXABM-UHFFFAOYSA-N 344.386 2.805 0 50 EFAA CCCc1nnc(SCc2ccc(Br)cc2)n1N 130938 SZQNAWPNNHXAPV-UHFFFAOYSA-N 327.251 2.999 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 381847 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O=C(COCCc1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396399 OKSQKDJJJQQDLK-GUDVDZBRSA-N 331.456 2.788 0 50 EFAA Cc1c(-c2cc(C(=O)NCCc3cc(F)cc(F)c3)no2)cnn1C 215916037 JOICOOROKZBCBU-UHFFFAOYSA-N 346.337 2.634 0 50 EFAA Cc1cncc(N(Cc2ncc[nH]2)C(=O)[C@@H]2COc3ccccc3C2)c1 328589945 WPRUGAAWOQOYMO-INIZCTEOSA-N 348.406 2.898 0 50 EFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 328628882 HSKQLCLIPXVZOZ-DLBZAZTESA-N 346.475 2.937 0 50 EFAA CCc1nc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)cs1 328627289 GAHGWMMPXZOOTG-HOCLYGCPSA-N 349.479 2.540 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1c[nH]nc1C1CCCCC1 218921238 IXJZGSQEQPSORA-SJORKVTESA-N 347.459 2.771 0 50 EFAA O=C(Cc1ccc(F)c(F)c1)NCC[C@@H]1COc2ccccc2O1 216200465 BPKKSPIJNWFJBW-CYBMUJFWSA-N 333.334 2.854 0 50 EFAA COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cc(C)c(C)s1 358568686 RYLQHFHURQBQLV-UHFFFAOYSA-N 341.410 2.873 0 50 EFAA CCOc1c(F)cccc1C(=O)N1c2ccccc2C[C@@H]1C(=O)NC 362263158 RLUBEQPWVIWXIA-MRXNPFEDSA-N 342.370 2.542 0 50 EFAA C[C@@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H](C)N1 154110659 CQQWAENJWAIUSD-VXGBXAGGSA-N 333.819 2.746 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 128063012 WYBAICWEVRKATN-MWLCHTKSSA-N 346.330 2.644 0 50 EFAA CC(=O)c1cccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 363129871 NDBSMCZMFGCFOF-AWEZNQCLSA-N 326.400 2.719 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc4nc(S)oc4c3)[C@@H]2C1 126154767 YTUQRSOWEDIGLE-MRVWCRGKSA-N 348.424 2.525 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)c1ccnc(-n2ccnc2)c1 363697302 TUTNRJIYQDWINN-CQSZACIVSA-N 334.379 2.691 0 50 EFAA O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 364085957 XKAFFAQKODBFAZ-HVHJFMEUSA-N 336.395 2.817 0 50 EFAA CCCc1cc(N[C@H]2CC(=O)N(CCc3ccccc3)C2)nc(C)n1 72134663 GJXMVUFFYSIOTF-SFHVURJKSA-N 338.455 2.993 0 50 EFAA C1CCC(c2nc(CN3CCCC[C@H]3CCN3CCOCC3)no2)C1 72150317 UGUMKULIECYLCQ-KRWDZBQOSA-N 348.491 2.804 0 50 EFAA Cc1ccc(-c2nnc(S)n2CC(=O)N2CCC3(CCC3)C2)cc1 158182938 USEQLVWCMNLZSW-UHFFFAOYSA-N 342.468 2.945 0 50 EFAA 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347.430 2.839 0 50 EFAA O=C(O)c1ccc(I)c(OCC(F)(F)F)c1 236461529 SZCCGFBWLBEVBL-UHFFFAOYSA-N 346.042 2.931 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccc2nccn2c1 92107410 GKMQJMJSUOTITP-CQSZACIVSA-N 338.386 2.730 0 50 EFAA Cc1nnsc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91695774 UEQNEMRNBURKFR-DLBZAZTESA-N 328.485 2.943 0 50 EFAA CCOc1ccc(Cl)cc1[C@H](C(=O)O)N(C)Cc1cnccn1 95380704 ZEQYQQFQLOUXGC-OAHLLOKOSA-N 335.791 2.786 0 50 EFAA CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)c1ncc(C)[nH]1 91380824 AUIVKHQCQGXDAL-AWEZNQCLSA-N 339.399 2.998 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(c3cccc(C(=O)O)n3)C2)c1 95523296 SEABPWLQPKTITE-GFCCVEGCSA-N 328.368 2.791 0 50 EFAA Cn1ncc2c(N3CCC[C@H]3CC(=O)c3cccs3)ncnc21 180340483 GBVQVJMCULFNHV-NSHDSACASA-N 327.413 2.667 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1CC12CN(C(=O)OCc1ccccc1)C2 255187978 IBSPSKWNPZLNEP-AWEZNQCLSA-N 332.400 2.922 0 50 EFAA Cc1c(Br)ccc(O)c1NC(=O)CCc1cnn(C)c1 296280943 YXKCOLQYFICFLA-UHFFFAOYSA-N 338.205 2.768 0 50 EFAA CCc1cnccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 182589778 SLNNXRZNYWUXNT-AWEZNQCLSA-N 325.416 2.659 0 50 EFAA CSCC[C@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1 263587080 BXBFNJSOTZLATR-CYBMUJFWSA-N 336.486 2.901 0 50 EFAA COC1CCN(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 534587277 KMFLKBYSMXEELP-GOSISDBHSA-N 349.450 2.783 0 50 EFAA COc1ccc(C(=O)N[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 367944158 XDHXNVYQRFNBEI-MSOLQXFVSA-N 328.387 2.710 0 50 EFAA CC(C)n1cc(-c2nc(Cc3cccc(Cl)c3)nn2CCO)cn1 828778339 INNFDDAYKUKSPP-UHFFFAOYSA-N 345.834 2.959 0 50 EFAA Cc1cc(C)n([C@H](C)c2nc(-c3ccc(F)c(F)c3)nn2CCO)n1 828776643 DDVPQRFYLJYOOQ-GFCCVEGCSA-N 347.369 2.638 0 50 EFAA Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nc(C)c1C(=O)O 584894559 GVXCUFCKAZAZAN-UHFFFAOYSA-N 340.379 2.536 0 50 EFAA COCCc1nc(-c2c(OC)cccc2OC)n(-c2ccncc2)n1 584898698 FACJFYJOQJWWPM-UHFFFAOYSA-N 340.383 2.535 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2nncn2C2CC2)CC1 408474905 XPVXDASHJYKRPU-IRXDYDNUSA-N 346.475 2.770 0 50 EFAA CCn1cc([C@@H]2CSCCN2C(=O)c2cccc(OC)c2)cn1 408514565 PNIHTXHDNHOWDQ-INIZCTEOSA-N 331.441 2.842 0 50 EFAA O=C([C@@H]1CCCN1C1CCOCC1)N1CCCc2ccccc2C1 170058909 QRQTYTFNYXJBDJ-IBGZPJMESA-N 328.456 2.605 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccc(Cl)o1 170068903 PPDMTELNKPIGBR-ZDUSSCGKSA-N 348.786 2.782 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@@H](CC(C)C)C1=O 170592692 YPDBHKROVLVAER-INIZCTEOSA-N 348.443 2.877 0 50 EFAA O=C(Nc1cccc(Br)n1)C(=O)N1CCCCCCC1 170617175 PKJUMHITVCQSER-UHFFFAOYSA-N 340.221 2.575 0 50 EFAA C[C@@H]1COCCN1C1CCN(c2ccc(C(F)(F)F)cn2)CC1 641655178 YIWZSVQBXSBQET-GFCCVEGCSA-N 329.366 2.790 0 50 EFAA O=C(NCc1nccs1)c1nn(-c2ccc(Cl)cc2)cc1O 193828514 HQMYIBVTOFWZAZ-UHFFFAOYSA-N 334.788 2.618 0 50 EFAA CCn1nc(C)cc1C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 678988325 LULAEHSOPCLZDZ-UHFFFAOYSA-N 337.763 2.581 0 50 EFAA O=C(Cc1cn2c(n1)CCCC2)N=c1cc(C2CCCCCC2)[nH][nH]1 651355660 AKSXPXVATASHLU-UHFFFAOYSA-N 341.459 2.983 0 50 EFAA O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)C(F)F 194758328 ZCRLJOJNGVQNBD-UHFFFAOYSA-N 347.203 2.795 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2c(c1)ncn2C 657411275 WQRMVYHPANOMSJ-SCLBCKFNSA-N 325.416 2.887 0 50 EFAA Cc1ccc(CN(C)C(=O)COCc2nc3ccc(F)cc3[nH]2)o1 1506431600 QRUKSNYBNYQMTK-UHFFFAOYSA-N 331.347 2.779 0 50 EFAA O=S(=O)(NC1CC1)c1cc(Br)cc(C(F)(F)F)c1 16159723 KXRRBDGSHXCGIP-UHFFFAOYSA-N 344.152 2.909 0 50 EFAA in-vitro CC(C)c1ccc(OCCN(C)Cc2cnc(C(=O)O)cn2)cc1 1772709885 NZTOWBJVFLTNCR-UHFFFAOYSA-N 329.400 2.809 0 50 EFAA COc1cc(Cl)cc(CN2C[C@H]3CCCN3C(=O)[C@H]2C)c1OC 1772709770 LWUZIYNKYQBDOY-BXUZGUMPSA-N 338.835 2.552 0 50 EFAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCCCCC2)nc1 12433455 XXHSBTVEKQWRCL-UHFFFAOYSA-N 341.459 2.858 0 50 EFAA COc1ccc(OC)c(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1 12713160 SMQKPJCJNCXKCL-MRXNPFEDSA-N 342.443 2.727 0 50 EFAA COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1 16091221 MNBDBHHKEBVECW-HNNXBMFYSA-N 336.413 2.826 0 50 EFAA COC(=O)Cn1c(=N)n(Cc2ccccc2Cl)c2ccccc21 19790626 UBEPHULSBBHQPD-UHFFFAOYSA-N 329.787 2.797 0 50 EFAA OCC[C@H]1CN(Cc2ccoc2)CCN1CCCc1ccccc1 19791487 OJQJOKUPURBAFN-FQEVSTJZSA-N 328.456 2.781 0 50 EFAA Cc1cc(=N[C@H]2CCCc3c2c(C)nn3C)[nH]c(-c2cccnc2)n1 1857676120 OQFQCHMAPOCECS-HNNXBMFYSA-N 334.427 2.800 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2)OC2(CCN(Cc3ncc[nH]3)CC2)C1 1857696773 CCMKADIXOUTCRS-IAGOWNOFSA-N 327.428 2.657 0 50 EFAA CCCC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H](C(C)C)O1 1857721788 GEBLAIFSYZBUEC-QZTJIDSGSA-N 346.471 2.859 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CCc2[nH]nc(C3CC3)c2CC1 1857723508 IXZVOMBLHJKQIC-UHFFFAOYSA-N 340.383 2.649 0 50 EFAA C[C@H]1COC[C@H]2CN(c3nc(-c4ccc(F)cc4)cs3)CCN12 1875245489 BURREBUMZNBJBA-SWLSCSKDSA-N 333.432 2.859 0 50 EFAA OCCN1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875250238 HXJKPDIDABAOAO-RBUKOAKNSA-N 327.380 2.522 0 50 EFAA Cc1ccc(-c2nc(N3C[C@@H](O)C[C@H]3CO)c3ccccc3n2)s1 420612600 PLDHGERHMDKVEL-STQMWFEESA-N 341.436 2.599 0 50 EFAA Cc1cnn(CCNC2CCN(C(=O)c3ccccc3Cl)CC2)c1 124034594 VWINQOVYBSOKJM-UHFFFAOYSA-N 346.862 2.739 0 50 EFAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1Cc1ccccc1 237465834 AHZCIDWNXUHTGL-BPQIPLTHSA-N 331.504 2.871 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2 248076047 HLPQYXCAQKCPOP-ZFWWWQNUSA-N 343.393 2.956 0 50 EFAA CC(C)(C)[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 253401050 SZKDRBQXLWXOKD-ZDUSSCGKSA-N 340.470 2.745 0 50 EFAA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cn1 366687122 WDPKUSPDIPEHAR-FUTJPDQTSA-N 333.794 2.988 0 50 EFAA C[C@@]1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCC(=O)NC1 377283763 UMPPKOJOOVJARQ-GOSISDBHSA-N 334.847 2.962 0 50 EFAA CCc1cc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)no1 911997068 UKDZNOLTGLGXJL-KGLIPLIRSA-N 349.431 2.803 0 50 EFAA O=C(O)CC[C@@H]1CC[C@H](C(=O)NC2(c3ccccc3Cl)CC2)O1 872729724 CDUMCXPMQFGGNN-SMDDNHRTSA-N 337.803 2.858 0 50 EFAA CCOC(=O)c1cnc(N[C@@H](C)c2cc3n(n2)CCCC3)nc1C 952964591 ULMGYRNVCWCMOM-LBPRGKRZSA-N 329.404 2.668 0 50 EFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H](CC(=O)O)c3ccccc32)cn1 1875291728 JVSMIPFZKPKGLJ-UHOFOFEASA-N 339.395 2.519 0 50 EFAA O=C(NCc1ccns1)Nc1cccc(CN2CCCC2=O)c1 1875268589 DDJRWIGTBNXZAX-UHFFFAOYSA-N 330.413 2.587 0 50 EFAA O=c1c2[nH]c3cc(Br)ccc3c2cnn1C1CCNCC1 1875303882 QZFCBUAMIBRXAB-UHFFFAOYSA-N 347.216 2.565 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(c2ccccc2)C1 1875314630 JMORQUGZBABDRZ-OLZOCXBDSA-N 325.412 2.682 0 50 EFAA Cc1ccccc1OCCN(C)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875392601 KANUQMVULLJEQL-KGLIPLIRSA-N 343.427 2.891 0 50 EFAA CCCc1[nH]ccc1C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 1775986533 FJLSJQJELOVYKH-HNNXBMFYSA-N 326.444 2.881 0 50 EFAA CCc1nc(N)ncc1C(=O)Nc1cccc(SC(=O)N(C)C)c1 1775997554 HMDCCGODZYJFLP-UHFFFAOYSA-N 345.428 2.647 0 50 EFAA Cc1nnsc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 4667811 HHIDVFJLWOWRRH-UHFFFAOYSA-N 332.389 2.743 0 50 EFAA CCCC[C@@H]1CN(C(=O)CCc2nc(Cl)n[nH]2)C[C@H](C(C)C)O1 2100483739 KQPRIWAOZIAMNC-CHWSQXEVSA-N 342.871 2.833 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@]3(N)CCOC(C)(C)C3)cc2)c1C 2325795763 XNGUPIJSSKYQDD-LJQANCHMSA-N 342.443 2.714 0 50 EFAA c1cc2c(-c3ccc(CN[C@@H]4CCCNC4)nn3)cncc2s1 2325796674 CMEKAGOMTSCOFB-GFCCVEGCSA-N 325.441 2.595 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 248150513 TVLXIULOHFDSQD-QZTJIDSGSA-N 342.418 2.710 0 50 EFAA Nn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 80494 SQOJKYVBHKHTJU-UHFFFAOYSA-N 345.811 2.739 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 102360 CIGSCDLAXLXDQV-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(C(F)(F)F)c1 196374 NNMDHFWOHHWNNH-LBPRGKRZSA-N 328.290 2.896 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)s1 451877 WBVBXPZHMSICBH-JTQLQIEISA-N 345.218 2.702 0 50 EFAA Nc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 1394746 SWKIEPMUTYWWOD-UHFFFAOYSA-N 343.452 2.836 0 50 EFAA COCCN1CCC[C@@]2(CCCN2Cc2cccc3cc[nH]c23)C1=O 2356134065 WGBJZPWQBPWPPK-HXUWFJFHSA-N 341.455 2.771 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)C[C@H]1C 2499390 DJLGSTKNGBXRSF-RNCFNFMXSA-N 333.384 2.587 0 50 EFAA O=C(CSCc1cc(O)n[nH]1)Nc1ccc(Br)cc1 4755591 VIOPRQXADUUEHA-UHFFFAOYSA-N 342.218 2.750 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1NS(C)(=O)=O 10112451 ZXKPVZRJNOUTCI-LBPRGKRZSA-N 330.409 2.650 0 50 EFAA O=S(=O)(Cc1cccc(Cl)c1)NCCCN1CCCCC1 10280012 GJCGQQKXNCRQQP-UHFFFAOYSA-N 330.881 2.635 0 50 EFAA O=C(c1cnc2ccccn2c1=O)N(Cc1ccsc1)C1CC1 58293059 RJPCOFNEYLKVED-UHFFFAOYSA-N 325.393 2.561 0 50 EFAA CC(C)CN1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCO 104394558 MQBQMPBOJNOUNV-GOSISDBHSA-N 345.462 2.899 0 50 EFAA CCc1ccc(N2C[C@H](c3nnc(NC(C)=O)s3)CC2=O)cc1 9198187 DRWJIIYWUIMPCB-GFCCVEGCSA-N 330.413 2.579 0 50 EFAA Cc1cccnc1OC1CCN(c2nccn(CC(C)C)c2=O)CC1 225532096 UUSRQZHOJVDHTG-UHFFFAOYSA-N 342.443 2.651 0 50 EFAA COCCOc1ccccc1NC(=O)NCCc1nc(C)cs1 57485052 YPJHLOMZGKMOLD-UHFFFAOYSA-N 335.429 2.841 0 50 EFAA O=C(CO)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67805041 VDJYILKMTNEKNC-UHFFFAOYSA-N 333.391 2.621 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)[nH]n1 67982023 PZAFLAYRJHPEEM-SECBINFHSA-N 331.807 2.538 0 50 EFAA O=C(Nc1ccccc1)c1cc2n(n1)CCN(Cc1nccs1)C2 65460156 QMUSXOMFEUOLKL-UHFFFAOYSA-N 339.424 2.608 0 50 EFAA Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H](CN3CCC(C)CC3)C2)no1 229248546 VKQGYQIYLYWGLP-IRXDYDNUSA-N 348.491 2.754 0 50 EFAA Cc1nsc(NC(=O)N[C@H](CCn2ccnc2)c2ccccc2)n1 63848870 FOEPSMYAVKLLNZ-CQSZACIVSA-N 342.428 2.996 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 144296499 JWXJQJRRQURNLI-UHFFFAOYSA-N 338.355 2.614 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H](CO)CC1CCCCC1 252484546 FYZFZJHHOJLVBL-MRXNPFEDSA-N 333.428 2.653 0 50 EFAA Cc1cccc(CN2CCN(C(=O)[C@@H](O)c3ccc(F)cc3)CC2)c1 72436364 GVELBOOORMIOKT-IBGZPJMESA-N 342.414 2.512 0 50 EFAA Cc1nc2cc(CNC(=O)CN3CCc4ccccc4C3)ccc2n1C 217807060 BLWDFRCABUAWRY-UHFFFAOYSA-N 348.450 2.556 0 50 EFAA O=C(N[C@@H]1CCCc2occc21)N1CCN(c2cccc(O)c2)CC1 120899781 PPRUMAODWGLSKS-QGZVFWFLSA-N 341.411 2.894 0 50 EFAA COc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)ccc1Cl 128299647 VDDPERYEQLNSBE-UHFFFAOYSA-N 338.835 2.679 0 50 EFAA O=C(NCc1csc(Br)c1)C(=O)Nc1ccsc1 355816680 WEEODVCZAXHZJY-UHFFFAOYSA-N 345.243 2.827 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)c2cc3ccccc3o2)o1 328616069 ZYUHYUFHRZWEMD-RISCZKNCSA-N 341.367 2.828 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)o1 328612269 OFEAZMKJADFUAH-AWEZNQCLSA-N 335.429 2.671 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCCN(C2CCCC2)CC1 77555132 KCQJQOKQGIZRLT-UHFFFAOYSA-N 325.840 2.738 0 50 EFAA NC(=O)c1cc(NC(=O)c2ccccc2OCC2CC2)ccc1F 154004416 KBCVPSJZXPOYEU-UHFFFAOYSA-N 328.343 2.966 0 50 EFAA O=C1CNc2ccc(C(=O)N3C[C@H]4C5CCC(CC5)[C@H]4C3)cc2N1 71405707 FQPGEWCXIUECRF-VWSDQGQDSA-N 325.412 2.559 0 50 EFAA CCCOc1cccc(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 363917720 GBYPPFSHJIZGKL-UHFFFAOYSA-N 336.395 2.986 0 50 EFAA Cc1ccc(CS(=O)(=O)Nc2cnc3c(c2)COCC3)cc1F 364253871 LWADWJMNGLJNDO-UHFFFAOYSA-N 336.388 2.544 0 50 EFAA Cc1c(-c2cc(CN3CCO[C@@]4(C[C@H]5CC[C@H]4C5)C3)on2)cnn1C 366921591 LQDGZYZDGIQCIV-DOXZYTNZSA-N 342.443 2.775 0 50 EFAA CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 155977666 HBIXISKGKAIPNK-DLBZAZTESA-N 344.455 2.852 0 50 EFAA Cc1cc(N2CCC(C(=O)O)(n3ccnc3)CC2)c2ccccc2n1 72436057 RPOUALRXGAIAEY-UHFFFAOYSA-N 336.395 2.820 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cccc(C(C)C)n1 371346247 VZELTJORSYFTQV-INIZCTEOSA-N 328.416 2.759 0 50 EFAA OCC[C@H]1CN(c2ncccc2Cl)CCN1Cc1ccccc1 72467957 BNCYNHKTXSTEFP-INIZCTEOSA-N 331.847 2.808 0 50 EFAA CN(C(=O)Cc1ccc2c(c1)CCC2)c1ccc(OCC(=O)O)cc1 263062007 ONSBGEDAHZSLQN-UHFFFAOYSA-N 339.391 2.844 0 50 EFAA Cn1cc(Oc2ccccc2C(=O)Nc2ccc3c(c2)CC(=O)N3)cn1 338186656 CLRBKYSFWMSFAG-UHFFFAOYSA-N 348.362 2.959 0 50 EFAA COCc1cccc(CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 282716329 YYTYLOKDGKMNDT-OALUTQOASA-N 343.398 2.849 0 50 EFAA COC(=O)CCCC(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 82137663 WKVSIBYUNGUZGY-CQSZACIVSA-N 343.427 2.687 0 50 EFAA O=C(Nc1cccc(N2CCCNC2=O)c1)c1cnc2ccccc2n1 174091489 BEXMUGCMKGNNFD-UHFFFAOYSA-N 347.378 2.802 0 50 EFAA CCCOC[C@H]1CCN(C(=O)NCCc2nc3ccccc3n2C)C1 426526865 MISIFLRNKHTDNI-HNNXBMFYSA-N 344.459 2.574 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc3nncn3c2)[C@H](C)CO1 174399592 ZXWMKKLLZOQCAA-RHSMWYFYSA-N 336.395 2.640 0 50 EFAA Cc1ccc([C@H](C)Cc2cn(Cc3cn4c(n3)SCC4)nn2)o1 82145904 BAEMSLMWOJRVRA-LLVKDONJSA-N 329.429 2.876 0 50 EFAA COCCN(Cc1nccs1)C(=O)c1c[nH]nc1-c1cccs1 426550639 OQTXYACYCOXZGP-UHFFFAOYSA-N 348.453 2.884 0 50 EFAA O=C(c1csc(Cc2ccccc2)n1)N1CCCn2cncc2C1 82109314 CTHUWHUIDQPBDM-UHFFFAOYSA-N 338.436 2.977 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(OC)c3)C2)cc1 20602409 BZPUPFBCVGFUGL-QGZVFWFLSA-N 326.352 2.836 0 50 EFAA CCCn1cnnc1CNC(=O)Nc1ccnn1C[C@@H]1CC=CCC1 96133393 GSWCQBJMZHJCHZ-CQSZACIVSA-N 343.435 2.563 0 50 EFAA COc1cccc([C@@H]2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)C2)c1OC 426623018 PYSKGBUPUFUDNK-RBSFLKMASA-N 348.443 2.506 0 50 EFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cn2ccsc2n1 91425311 NKNADUYODXOWOP-OAHLLOKOSA-N 340.452 2.963 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 237948215 BHHQUCSVXBPDRB-SECBINFHSA-N 332.183 2.695 0 50 EFAA Cc1nn(C)c(C)c1CN(Cc1ccc(S(C)(=O)=O)cc1)C(C)C 142731164 IAYICXKCXXKHAZ-UHFFFAOYSA-N 349.500 2.851 0 50 EFAA O=C1C[C@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)C2(CCCC2)O1 97823095 WTTNVPIPCDWLOQ-OAHLLOKOSA-N 338.407 2.929 0 50 EFAA OCC[C@@H]1CN(C2CCSCC2)CCN1CCCc1ccccc1 22918414 RUYXXDASSNLDAG-HXUWFJFHSA-N 348.556 2.883 0 50 EFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2 95354412 VMLKXXMCKCJZGO-MRXNPFEDSA-N 338.407 2.900 0 50 EFAA CCc1csc(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1 95378710 PJZJQEHPQAZICQ-KRWDZBQOSA-N 344.484 2.596 0 50 EFAA COc1ccc2c(c1)OC[C@H](Cc1ccc(CNCCO)cc1)C2 91621138 QPTDAJXIHXEFNA-QGZVFWFLSA-N 327.424 2.571 0 50 EFAA CCOc1cc(C)c(CN2CCN3CCN(C)C[C@H]3C2)cc1C(C)C 244735146 NTLQZRUNZJFPPE-IBGZPJMESA-N 345.531 2.949 0 50 EFAA O=C1CCCN1c1cccc(C(=O)N2C[C@@H](CO)c3ccccc32)c1 293920413 NELXAVGKIJDKSB-HNNXBMFYSA-N 336.391 2.550 0 50 EFAA COc1cccc2c1CCN(Cc1cccc(S(C)(=O)=O)c1)C2 294665716 ACEMNKJPYDDHND-UHFFFAOYSA-N 331.437 2.657 0 50 EFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)c1cc([C@H]2C[C@@H](N)C2)ncn1 252536069 HNWSQQWBJRGPSB-KLPPZKSPSA-N 342.834 2.847 0 50 EFAA Cc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)n1 298490486 HMKKRZFBURWGDP-UHFFFAOYSA-N 341.386 2.564 0 50 EFAA O=C(NCc1ccnc(C(F)(F)F)c1)[C@@H]1COc2ccccc2O1 295881088 VVXBEACWOKRAJV-ZDUSSCGKSA-N 338.285 2.557 0 50 EFAA O=C(NCC1=CCCOC1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 296602924 LIPWDQWFJZSOAW-INIZCTEOSA-N 336.819 2.849 0 50 EFAA C[C@H]1CO[C@H](C)CN1C(=O)NCC1CCN(Cc2ccccc2)CC1 182471843 FBRILUVAOLMDGX-DLBZAZTESA-N 345.487 2.717 0 50 EFAA Cc1ccc2nc(CCCNC(=O)c3cnc(N)s3)[nH]c2c1C 534667750 ACRZTOAYIQRJNI-UHFFFAOYSA-N 329.429 2.581 0 50 EFAA C[C@@H](CN1CCCCCC1)NCc1csc(-c2cnccn2)n1 534631096 ZZYBUGNWXYALCT-AWEZNQCLSA-N 331.489 2.954 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc(CN)o1 299739239 MEWNMDJVWKUBLX-MAUKXSAKSA-N 341.455 2.721 0 50 EFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCCn2cccn2)C1 299764387 VFCRNVDOUCYJHK-GOSISDBHSA-N 340.471 2.610 0 50 EFAA CCC[C@H]1C=CCN1C(=O)c1cc(-c2c(C)nn(C)c2C)nn1C 299802605 ZXTMTGOCEGBTAR-AWEZNQCLSA-N 327.432 2.618 0 50 EFAA COCC(=O)Nc1cc(NC(=O)/C=C/c2ccccc2)ccc1OC 824313419 XKSLNVXAHXMORU-DHZHZOJOSA-N 340.379 2.932 0 50 EFAA Cc1cc(C)cc(N2CCC(NCCN3CCCC[C@H]3CO)CC2)c1 828710779 CWURADNZWRJSMX-FQEVSTJZSA-N 345.531 2.709 0 50 EFAA O=S(=O)(NCC[C@@H](c1ccccc1)c1ccco1)N1CCCC1 670466600 IBDNXTRTZPYPCL-INIZCTEOSA-N 334.441 2.732 0 50 EFAA Cc1ccc(C(C)(C)C(=O)N(C)CCCN(C)Cc2cnon2)cc1 1377001209 ABMQKIPZYJXEIU-UHFFFAOYSA-N 344.459 2.636 0 50 EFAA CN(C)c1ccc(CN[C@@H]2CCCN(Cc3cccs3)C2)cn1 952979185 VALQTKFZXIOKKP-MRXNPFEDSA-N 330.501 2.963 0 50 EFAA CCn1cnc2c(N3CCN(c4cc(C)ccc4C)CC3)ncnc21 268797693 CIVHTELWQIJUHV-UHFFFAOYSA-N 336.443 2.790 0 50 EFAA Cc1nn(C)c(Cl)c1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 269783577 WEOUZRCSQJDYAE-XHDPSFHLSA-N 341.789 2.968 0 50 EFAA CCc1ncc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)o1 408520551 LGQDJPXTKJANHD-UHFFFAOYSA-N 343.427 2.581 0 50 EFAA Cn1c(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)nc2ccc(F)cc21 274293407 HJMMNRFWHNNWGN-UHFFFAOYSA-N 348.378 2.708 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc([C@H]4C[C@H]4C)o3)C2)n1 275711242 YHECAYBPQDWBKT-FMKPAKJESA-N 342.443 2.796 0 50 EFAA CC(=O)Nc1nc(C(=O)Nc2c[nH]nc2-c2ccccc2F)cs1 170618614 FLRWYPBTJNNPQL-UHFFFAOYSA-N 345.359 2.883 0 50 EFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCC2)C1 170653262 TUADLELGQVSNMV-MCIONIFRSA-N 334.489 2.729 0 50 EFAA Cc1noc2ncnc(N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)c12 192506191 IZXGYJVGCWJUHE-ZWNOBZJWSA-N 332.310 2.517 0 50 EFAA CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2cccc(O)c2)ncn1 194921564 VVFGZQLJTZRXHY-UKRRQHHQSA-N 327.432 2.544 0 50 EFAA C[C@H](O)c1ccc(CNC(=O)c2cnn(C)c2Cc2ccccc2)cc1 770260013 AVEJZMVPAWYFIT-HNNXBMFYSA-N 349.434 2.994 0 50 EFAA COc1ccccc1OCC(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529118531 MAAHKTPQZRWEPS-WNKDZCFJSA-N 346.471 2.651 0 50 EFAA CCC[C@H](NC(C)=O)C(=O)Nc1nnc(Cc2cccc(C)c2)s1 1529119194 CQTBRTAPZLTFAI-AWEZNQCLSA-N 346.456 2.681 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 1704300229 ZMFJVWHVWZPPSE-WSTZPKSXSA-N 330.472 2.761 0 50 EFAA CO[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@H]1Cc1cc(C)no1 1704297043 DPQXLLGRDMCINJ-KDOFPFPSSA-N 342.443 2.654 0 50 EFAA CC(C)N1C[C@H](CN2CCCN(C3CCCCC3)CC2)CCC1=O 1775984474 VMWTYHSUMQTOIJ-SFHVURJKSA-N 335.536 2.974 0 50 EFAA O=C(COc1ccccc1)NC[C@H]1CC(Cc2cccc(F)c2)=NO1 11814646 VWCYEDSXYQXMPW-GOSISDBHSA-N 342.370 2.708 0 50 EFAA COCCCNc1nc2nonc2nc1N[C@H]1CCc2ccccc21 12028793 AWPPJXQEZBFTDX-ZDUSSCGKSA-N 340.387 2.561 0 50 EFAA C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccc2c(c1)OCO2 12383729 HJPPRGDXDSQXAV-JTQLQIEISA-N 335.306 2.950 0 50 EFAA Cc1cc(C)c2c(c1)[C@@](O)(C[C@H](C)O)C(=O)N2Cc1ccccc1 12895967 YKBRLYLQUIYZSC-YWZLYKJASA-N 325.408 2.809 0 50 EFAA CC(C)(C)CC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 14987328 OQWXVCCHLHPPBY-CQSZACIVSA-N 325.412 3.000 0 50 EFAA Cc1cccc(C)c1OC[C@H](O)CN1CCN(c2ccccc2)CC1 19790770 CSOMHMHYUVRRBR-HXUWFJFHSA-N 340.467 2.865 0 50 EFAA NC(=O)c1cc(N2CCC3(CCCCO3)CC2)nc2ccccc12 1857679278 ROYCFAAAWYCCSS-UHFFFAOYSA-N 325.412 2.873 0 50 EFAA COc1ccc2[nH]nc(CN3CCc4[nH]nc(C5CC5)c4CC3)c2c1 1857696587 IFKFYDXYKCMXMU-UHFFFAOYSA-N 337.427 2.773 0 50 EFAA CN1C[C@H](Cn2ccnc2-c2cccc(OC(F)(F)F)c2)CC1=O 1857709414 WEMAXXPEUHWLQD-LLVKDONJSA-N 339.317 2.927 0 50 EFAA CC1CCC(NC(=O)[C@@H](C)Nc2ccn(CC(F)(F)F)n2)CC1 120813551 WRXUULAEUBHJEJ-MOENNCHZSA-N 332.370 2.941 0 50 EFAA Cc1cc2sc(NC(=O)NCCc3ccn(C)n3)nc2cc1F 408515455 QTMOQPCDNVAMNV-UHFFFAOYSA-N 333.392 2.842 0 50 EFAA COc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C 225578497 IXEWCHAHPDHMER-AWEZNQCLSA-N 348.468 2.844 0 50 EFAA COc1ccc(-c2ccc(CNC(=O)[C@@H]3CSCN3)s2)cc1 120604701 QTDBMLSZTHGSSL-AWEZNQCLSA-N 334.466 2.702 0 50 EFAA C[C@@H]1CC[C@@H](CCC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)O1 245281350 ATWSESOKXHSIML-NJAFHUGGSA-N 344.455 2.755 0 50 EFAA COc1ncccc1NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 253415385 HPNNDXOFAZIYCY-IAQYHMDHSA-N 349.337 2.708 0 50 EFAA Cc1cnc(CCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 155499659 AMWZSCOALDFXHI-UHFFFAOYSA-N 348.852 2.906 0 50 EFAA C[C@@H]1CN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)C[C@H]1C(=O)O 900963721 AFGBKLSFJCDYGM-LKTAZYGFSA-N 336.335 2.769 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)NCc2ccc(F)c(F)c2)CC1 840984898 WMWSXQUYLCIWNO-NSHDSACASA-N 326.343 2.751 0 50 EFAA CCN1CCC[C@@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)C1=O 930621421 MTQISLGMIQZJGE-MRXNPFEDSA-N 338.411 2.881 0 50 EFAA COC[C@@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2)cn1 930786135 BLNKOCYAUPCJBC-CQSZACIVSA-N 343.383 2.753 0 50 EFAA Cc1cncc(CCC(=O)N2CCn3nc(C(C)(C)C)cc3C2)c1 834487048 XJGQMSBKVYODQF-UHFFFAOYSA-N 326.444 2.859 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NCc1ncc(-c2ccc(OC)cc2)o1 933288603 HHPDOHFMTLROAG-KRWDZBQOSA-N 343.427 2.745 0 50 EFAA Cc1ccccc1[C@H](c1noc([C@@H](O)c2cnn(C)c2)n1)C(C)C 952876897 ZSYKNOIBVDIFRL-CVEARBPZSA-N 326.400 2.981 0 50 EFAA Cc1nnc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)o1 952880470 OIPCMBKJDOSWTL-LLVKDONJSA-N 345.403 2.647 0 50 EFAA CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cccc2cnccc12 874980469 JHKROHZHPHCCJO-UHFFFAOYSA-N 325.290 2.630 0 50 EFAA O=C(Nc1ccc(O)cc1)C1CCN(c2nccc3ncncc23)CC1 1875286985 PTYSFPNZOIFVJN-UHFFFAOYSA-N 349.394 2.586 0 50 EFAA Cc1c(NC(=O)[C@H]2CCCC(=O)N2C)cnn1-c1cccc(Cl)c1 1875270731 HZKYQQSURLJBCH-OAHLLOKOSA-N 346.818 2.784 0 50 EFAA C[C@@H]1CN(c2ccccc2F)CCN1c1ccc(-n2ccnc2)nn1 1875261779 FDCMMKFWVGOQJQ-CQSZACIVSA-N 338.390 2.517 0 50 EFAA O=C(c1coc2c1CSC2)N1C[C@H](Cn2cnnc2)C2(CCC2)C1 1875310570 UWASQODJFLPYKB-LBPRGKRZSA-N 344.440 2.560 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=C(C(F)(F)F)CC3)n[nH]c21 1875393844 MZSWVGIFZYZMMR-BDAKNGLRSA-N 329.322 2.767 0 50 EFAA CC(C)[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1cnn(C)c1 885441427 YJKJAFOLWTXQQZ-MRXNPFEDSA-N 340.431 2.873 0 50 EFAA CC(C)CCO[C@@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 886075345 JJHWXLOZYPXFJN-OAHLLOKOSA-N 335.448 2.581 0 50 EFAA COC[C@@]1(NC(=O)[C@@H]2CCC(F)(F)C2)COc2ccccc2C1 888100645 ZNDPOADXNQQRJP-CZUORRHYSA-N 325.355 2.558 0 50 EFAA CC(C)(C)c1coc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)n1 889551846 TXLNXZYPIYCZDV-KGLIPLIRSA-N 347.459 2.770 0 50 EFAA NC(=O)c1c(F)cccc1N1CC[C@@]2(CCc3ccccc3O2)C1 893908751 SKQCCCWGUOLPDR-IBGZPJMESA-N 326.371 2.899 0 50 EFAA COc1ccc([C@@H](C)NC(=O)Nc2cc(C)c(C)nn2)c(OC)c1 1776006136 MTBAEWGCNALMHU-GFCCVEGCSA-N 330.388 2.993 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccn2)CC1 40456701 WVPSXULRTJKBMJ-UHFFFAOYSA-N 342.237 2.901 0 50 EFAA in-vitro COC(=O)c1c(C)c(Br)c(O)c(Br)c1O 156307 OKALYLLBFOYLQB-UHFFFAOYSA-N 339.967 2.718 0 50 EFAA CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C1CC1 412985 VOFYFOZVOFFSGY-UHFFFAOYSA-N 332.429 2.915 0 50 EFAA O=C(NCc1ccccc1)c1cc2c(=O)n3ccccc3nc2s1 426831 CGMXWXDPJWCUTP-UHFFFAOYSA-N 335.388 2.839 0 50 EFAA CCOc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 1198688 LQJSLCGBPXERQR-GOSISDBHSA-N 340.404 2.970 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)NC(=S)N1 1299585 JXHMDIDAVWEGIE-INIZCTEOSA-N 339.420 2.824 0 50 EFAA Cc1ccc(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1 20367287 PPUMQRTXVURFNW-UHFFFAOYSA-N 336.482 2.563 0 50 EFAA O=C(COc1ccccc1Cc1ccccc1)N1C[C@@H](F)C[C@H]1CO 347443813 XAWNYSNLZKOGSE-ROUUACIJSA-N 343.398 2.588 0 50 EFAA O=C(NCCc1nccs1)[C@@H]1CCCCN1Cc1ccccc1 174403271 ZGEMLDMBFNAYCW-INIZCTEOSA-N 329.469 2.857 0 50 EFAA O=C(NCc1ccccc1Cn1ccnc1)N1CCC[C@H]1C(F)F 343719411 RODSRBKSYIVULU-HNNXBMFYSA-N 334.370 2.871 0 50 EFAA COc1cccc(C)c1NC(=O)c1cccc(CN2CC[C@H](O)C2)c1 65406978 IOMNAXNHJDXXIU-KRWDZBQOSA-N 340.423 2.823 0 50 EFAA CCc1cccc(C)c1N1C[C@@H](C(=O)NCc2cccnc2)CC1=O 20865343 UKFUITLPLNXJQO-KRWDZBQOSA-N 337.423 2.622 0 50 EFAA Cc1nccn1[C@@H](C)C(=O)N1CCCN(Cc2cccs2)CC1 67723808 IXUWSJBSIALYOK-AWEZNQCLSA-N 332.473 2.549 0 50 EFAA C/C(=C\c1ccccc1)CN1CC[C@@H](CNC(=O)c2cnco2)C1 67954515 LAIJAYJDDSZZNM-FVLHSZHDSA-N 325.412 2.830 0 50 EFAA CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1 35800935 CAJUYNRUVQYELE-UHFFFAOYSA-N 348.468 2.739 0 50 EFAA CSc1cccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)c1 35598013 HQQBPWPNDPAFRX-UHFFFAOYSA-N 343.456 2.861 0 50 EFAA O=C([C@@H]1CCc2ccccc2C1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 327080151 GFFVCHQDCOVVMY-CZUORRHYSA-N 341.329 2.657 0 50 EFAA Cn1nc(CN2CCN(c3ccncc3)CC2)c2c(Cl)cccc21 216386017 MKFIWZFRZBKNSK-UHFFFAOYSA-N 341.846 2.944 0 50 EFAA Cc1cc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nnc1C 328647294 TXAMGMVTKMDAAG-OAHLLOKOSA-N 331.489 2.817 0 50 EFAA O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1 253394504 GGDJMGQQGBZPHS-CZUORRHYSA-N 348.397 2.591 0 50 EFAA Cc1cnc(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cn1 215223059 SXOQKICMPFCDCQ-UHFFFAOYSA-N 335.367 2.642 0 50 EFAA COc1ccc(CN2CCCN(C(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1 253419909 DYGDUMWMNDGAAH-FUHWJXTLSA-N 346.471 2.545 0 50 EFAA COc1ccccc1-n1cc(CN2CC(N3CCCC[C@H]3C)C2)cn1 72133663 VMARGXKQDOAXRE-MRXNPFEDSA-N 340.471 2.940 0 50 EFAA COc1cc(CNc2ccc(OC(C)C)nn2)c2c(c1)C[C@H](C)O2 357693711 BIPNVRBHSSEDNP-LBPRGKRZSA-N 329.400 3.208 0 50 EFAA CN(CCOc1ccccc1)C(=O)c1c[nH]c2c(F)cccc2c1=O 71753459 IHTNPBPSDYCWHT-UHFFFAOYSA-N 340.354 2.818 0 50 EFAA O=C1[C@H](N2CCC(c3cnc[nH]3)CC2)CCN1c1ccccc1F 360021852 OGYFOEXYVIRQNF-QGZVFWFLSA-N 328.391 2.534 0 50 EFAA CC[C@H](c1ccccc1)N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 257366044 HJPDZTSXMSOHSP-NSISKUIASA-N 329.488 2.622 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 152918619 VOJONXXSQHWWIH-NWDGAFQWSA-N 346.818 2.947 0 50 EFAA COCCN1CCC[C@@H]1CNC1CCC(O)(c2ccccc2)CC1 365051058 XYLXZYTZTXLIST-IOJLRTSASA-N 332.488 2.517 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCOC(C)(C)C2)c2c(C)nn(C)c2n1 331707127 AQIJFOBAECTTPK-ZDUSSCGKSA-N 330.432 2.520 0 50 EFAA COc1cc(Cl)ccc1C(=O)NCc1ccccc1-n1cncn1 219251307 GXUUDAOJZBZZEC-UHFFFAOYSA-N 342.786 2.859 0 50 EFAA Cc1ccnc(NC[C@@H]2CCN(Cc3nnc4n3CCCCC4)C2)c1 377297698 KVTKCZOIWAXTAV-INIZCTEOSA-N 340.475 2.642 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn1 262987591 UWVPPVZFGHCVHA-GFCCVEGCSA-N 342.317 2.975 0 50 EFAA O=C(NCCCOc1cccc2cccnc12)c1cncc(F)c1 128529855 BABRAXCHVPYDEB-UHFFFAOYSA-N 325.343 2.968 0 50 EFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N(C[C@@H]1CCOC1)C1CC1 130653338 DPMGAGZJBXQUGO-BLLLJJGKSA-N 346.452 2.517 0 50 EFAA Cc1cccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)n1 72408390 RJIRGYPSEUAIMY-UHFFFAOYSA-N 340.379 2.528 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)cn2)C1 379222486 QGHNPOVSRLFRED-SCZZXKLOSA-N 341.255 2.595 0 50 EFAA CC(C)[C@H](NC(=O)N[C@H]1C(=O)NCC[C@@H]1C)c1ccc(Cl)cc1 282347248 MPUOVSWTMLRURR-TUKIKUTGSA-N 337.851 2.861 0 50 EFAA CC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1ccc(N(C)C)cc1 82156780 DLTAXHCNDQLEHL-IBGZPJMESA-N 345.487 2.593 0 50 EFAA CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 17071007 RBGJUEMAKRIFQD-NXEZZACHSA-N 338.429 2.800 0 50 EFAA CC(C)c1ncc(CN(C)C(=O)NCc2ccc(C(=O)O)cc2)cn1 263432326 ZCZRPVDDNCVBQA-UHFFFAOYSA-N 342.399 2.640 0 50 EFAA CSC[C@H](NC(=O)CCc1ccc(-c2cccs2)o1)C(=O)O 426361440 WDPSRGLSOYVZRC-NSHDSACASA-N 339.438 2.873 0 50 EFAA CN1CCN(C(=O)CSC[C@H]2CCCCO2)Cc2ccccc21 263920526 TWNWGARUWWTTHG-MRXNPFEDSA-N 334.485 2.767 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCc2cc(F)c(F)cc21 285448878 KOVZRQLNTGUYFC-MLGOLLRUSA-N 347.365 2.755 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)N1Cc2ccccc2[C@@H](O)C1 426647063 KFWOYNDEFRGWED-HNNXBMFYSA-N 343.452 2.781 0 50 EFAA CC[C@H](C(=O)N(C)Cc1cc(-c2ccncc2)no1)n1cccn1 223043104 APUXHOLILSTIQN-MRXNPFEDSA-N 325.372 2.543 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)NCCCc2nnc(N)s2)cc1 220251193 IFNSCWJQIVLLOW-NSHDSACASA-N 336.486 2.658 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCCc3sc(C)nc32)c1C 222855375 FRUBZWWZDUYMQD-ZDUSSCGKSA-N 346.456 2.661 0 50 EFAA CC(C)Nc1ncccc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 288078487 ZCHDCGXLCPGDIV-OAHLLOKOSA-N 345.365 2.821 0 50 EFAA CCCC[C@@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=O 426387289 NMDMATRCTXBLBD-GFCCVEGCSA-N 332.231 2.837 0 50 EFAA CCOC(=O)C[C@@H]1COCCN1Cc1nc(-c2ccc(C)o2)oc1C 20998113 KRHNZBSCFHBUCO-CQSZACIVSA-N 348.399 2.705 0 50 EFAA CNC(=O)[C@H]1CCCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91725075 YSVIEIVYTOHFOF-OAHLLOKOSA-N 327.428 2.834 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)N1CCN(C2CCCC2)C(=O)C1 91416824 VJOIPJKGZDFWRA-MRXNPFEDSA-N 326.440 2.720 0 50 EFAA Cn1c(C(=O)N2CCC(n3cnnc3)CC2)cc2cccc(Cl)c21 426578522 BVAAFRGHJZRJFB-UHFFFAOYSA-N 343.818 2.901 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)NCCN1CC[C@H](c2ccccc2)C1 97522022 AQSIHJJQJGRXOL-KRWDZBQOSA-N 338.455 2.815 0 50 EFAA CSC[C@@H]1CCCN(C(=O)c2cnc(N)nc2-c2ccccc2)C1 97775766 JZGHFNMRMXVJLL-CYBMUJFWSA-N 342.468 2.941 0 50 EFAA O=c1cc(N2CCOCC2)cnn1Cc1ccccc1-c1ccccc1 95390566 AUEIJQHDFNAIFZ-UHFFFAOYSA-N 347.418 2.795 0 50 EFAA Cc1ccc2oc(C(=O)N(C)CC(C)(C)CN3CCOCC3)cc2n1 178987604 ALQBBQMGGUEOCU-UHFFFAOYSA-N 345.443 2.567 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)NCCSCc2ccccc2C)C1 95366455 YGPKOFKYCQIOLR-MRXNPFEDSA-N 334.485 2.603 0 50 EFAA CS(=O)(=O)CCc1ccc(NC(=O)CCc2cccs2)cc1 178589984 XGNRVJWLEPKAKW-UHFFFAOYSA-N 337.466 2.907 0 50 EFAA O=C1C[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CN1 91664087 VSDONTSHVDXQFB-KRWDZBQOSA-N 348.446 2.731 0 50 EFAA CSCc1nc(CCNC(=O)c2cn3cc(C)ccc3n2)cs1 91643804 FMFHJERSGDICIF-UHFFFAOYSA-N 346.481 2.935 0 50 EFAA O=C1CC[C@@H](CC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)CN1 333591355 BPKRYMZRGHNHLW-LBPRGKRZSA-N 345.830 2.553 0 50 EFAA CC[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CCN1C(C)C 91656528 HERNTXOHNNOYNO-GFCCVEGCSA-N 326.387 2.918 0 50 EFAA CSCc1nc(CNC(=O)Cc2sc(C)nc2C)cs1 97742593 HAFWIXISHCHOQX-UHFFFAOYSA-N 327.500 2.938 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 179015050 DZPFIDGIRAFVAY-YBJDMEARSA-N 329.831 2.969 0 50 EFAA COCCc1noc([C@@H]2CCCN2Cc2nc3ccc(C)cc3[nH]2)n1 244708180 KPCQVGXVURPMEA-HNNXBMFYSA-N 341.415 2.780 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCCc2[nH]ncc21 245631817 UQPSPWKVGOAZET-HIFRSBDPSA-N 344.846 2.878 0 50 EFAA CNC(=O)CNC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 179521733 OKKQBPQDFVEGFH-UHFFFAOYSA-N 347.415 2.522 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@H](C)[C@H]2OCCc3sccc32)n1 293015798 MNCPZMAOUNXCPJ-NOZJJQNGSA-N 335.429 2.920 0 50 EFAA CC(C)c1nc(CN2CCCN(C3Cc4ccccc4C3)CC2)no1 244811547 SGPKSZYIKHZPEM-UHFFFAOYSA-N 340.471 2.868 0 50 EFAA CCc1noc(C)c1CNC(=O)NC[C@@H](c1cccs1)N(C)C 297904120 XTMGVSPLRKESSK-AWEZNQCLSA-N 336.461 2.709 0 50 EFAA COc1ccc([C@@H]2CCN(C(=O)Nc3cc(OC)ncn3)C2)cc1 182185541 ZQQLPLCIWWAFNN-CYBMUJFWSA-N 328.372 2.515 0 50 EFAA COc1ccccc1CCC(=O)Nc1cc2c(=O)[nH]cnc2cc1F 183836370 KFQQRRGBEWREBV-UHFFFAOYSA-N 341.342 2.642 0 50 EFAA COc1cccc(N2CCC(N[C@@H](c3ncnn3C)C(C)C)CC2)c1 534636290 NUNGNISFWCTCKO-GOSISDBHSA-N 343.475 2.779 0 50 EFAA Cc1ccc(C(=O)N2CCOC3(CCCC3)C2)c(OCCCN)c1 299796375 MJEDTNQBDQUEHS-UHFFFAOYSA-N 332.444 2.508 0 50 EFAA COc1ccc(C(=O)N[C@H](C)c2ncccc2C)cc1OCCCN 299801491 YTNPCLWHKJCPPB-CQSZACIVSA-N 343.427 2.617 0 50 EFAA CNc1ncc(CN(C)C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)cn1 299778544 PSPXWXLGGATINS-GFCCVEGCSA-N 343.435 2.658 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCCCN2C)CC1 823395363 AZEHRHZMFZLMMV-SFHVURJKSA-N 345.487 2.608 0 50 EFAA CCN1CC[C@@H](NC(=O)N(CCCOC)Cc2ccc(C)cc2)C1 584902886 FCFQPSBVWHGQOF-GOSISDBHSA-N 333.476 2.637 0 50 EFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)CSc1nccn1C 584899632 XFISXKSJDKUYHM-UHFFFAOYSA-N 349.847 2.701 0 50 EFAA CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)o1 889018267 QIGNHYYQPDINAW-CVEARBPZSA-N 330.432 2.842 0 50 EFAA CN1CCC[C@@H](CNC(=O)c2ccccc2NCc2ccccn2)C1 67679277 SJJLOZDSHWIKPZ-INIZCTEOSA-N 338.455 2.765 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C)oc2C)C1 408058680 LWFFHFMWBXKOAS-DGCLKSJQSA-N 332.322 2.568 0 50 EFAA O=C1CC(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccc(Cl)cc2)C3)C1 408519756 MWHUUFTZWVAJOH-GJZGRUSLSA-N 333.815 2.660 0 50 EFAA Cc1c(NC[C@H](O)CC(C)(C)C)nn2c(C(F)(F)F)nnc2c1C 269370669 MDGSVVOXCJTOSF-SNVBAGLBSA-N 345.369 2.969 0 50 EFAA CC(C)O[C@@H]1C[C@H](NC(=O)NCc2cccc(N(C)C)n2)C1(C)C 274208414 KFBPFNFKFCYXTG-LSDHHAIUSA-N 334.464 2.539 0 50 EFAA Cc1cc(F)c(Br)cc1NC(=O)Cc1cnn(C)c1 170608521 LEBWKVKBBCGGNT-UHFFFAOYSA-N 326.169 2.811 0 50 EFAA CCc1ccc([C@H]2CN(C(=O)NCc3cc(C)no3)CCO2)cc1 187956570 LOQXJGFPYSDOJM-QGZVFWFLSA-N 329.400 2.829 0 50 EFAA C[C@]1(F)CNCCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 638253202 IEPRYOZEEIGKEL-VYDXJSESSA-N 340.826 2.578 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCO[C@H](c2cccs2)C1 189287968 DSALLEXBHOTWME-ZDUSSCGKSA-N 340.408 2.747 0 50 EFAA CS(=O)(=O)N(Cc1ccccn1)c1ccc(Br)cc1 192838499 FRNKDZHVQFIAIQ-UHFFFAOYSA-N 341.230 2.810 0 50 EFAA Cc1cc(N(C)C(=O)c2ccc(N3CCOCC3)c(C)c2)ccn1 648350228 WHHOTJXTSQYFPR-UHFFFAOYSA-N 325.412 2.812 0 50 EFAA CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 195304449 CGCAHYRPUGGRLM-HOCLYGCPSA-N 348.468 2.548 0 50 EFAA O=C(Cc1ccccc1)NC[C@@H]1CCCN(CCCn2cccc2)C1 1506415606 ZDRUXNFGFDLFBB-FQEVSTJZSA-N 339.483 2.949 0 50 EFAA COc1ccc([C@H](C(=O)O)N(C)CCN2CCCCCC2)cc1F 1529145630 DENHCVDBYJYHJP-QGZVFWFLSA-N 338.423 2.768 0 50 EFAA CCc1nccc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704280464 VDPSHTRKBNNXQP-OXQOHEQNSA-N 348.450 2.623 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(C)on2)CC1 1704345336 XKNQLYMUJVSLPG-UHFFFAOYSA-N 342.395 2.696 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)NCc1ccncc1 111929192 XNCWEMZPECYFBM-UHFFFAOYSA-N 341.230 2.631 0 50 EFAA C[C@H](NCCNC(=O)C1CC1)c1ccc(Br)cc1F 119122193 YOPWAFKGCJAQCR-VIFPVBQESA-N 329.213 2.765 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)Cc3ccc(O)c(Cl)c3)CC2)n1 1772711343 XYMYPIGAYUTBLS-UHFFFAOYSA-N 347.846 2.998 0 50 EFAA CCN1CCN(C(=O)CCC2CCN(C[C@H]3CC=CCC3)CC2)CC1 11840884 IPQXSGNIYZQTIM-FQEVSTJZSA-N 347.547 2.999 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 12073922 RVIIVIIYGGRMIH-MRXNPFEDSA-N 347.459 2.521 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@](CO)(CCc3ccccc3)C2)cn1 14950772 NPTFRVDAIZWFQD-HXUWFJFHSA-N 339.439 2.633 0 50 EFAA CN1CCC(N2CCC[C@@H](C(=O)NCCCC3CCCC3)C2)CC1 19222601 DKHBSYPLWMBDOU-GOSISDBHSA-N 335.536 2.879 0 50 EFAA O=C(O)CN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 1774578 YZXSZFJZFHSKAG-UITAMQMPSA-N 342.170 2.570 0 50 EFAA COc1ccc2cc(-c3nccn3CCc3ccnn3C)c(O)nc2c1 1857693692 IEDJVFXVAZFDJE-UHFFFAOYSA-N 349.394 2.789 0 50 EFAA O=C1C[C@H]2N(Cc3ccc(Cl)c(Cl)c3)CC[C@]23OCCN13 1857706298 PLSRJQQANJCYKP-HIFRSBDPSA-N 327.211 2.527 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1ncccc1Br 225421732 SCYTYNAXXGNEAL-UHFFFAOYSA-N 338.205 2.812 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1O 336849417 DCIWRCFFYZRLSR-UHFFFAOYSA-N 341.772 2.853 0 50 EFAA CC(C)[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1nc(C2CC2)no1 339277008 UUKFYYBWKOMIIV-JTQLQIEISA-N 343.309 2.816 0 50 EFAA CCC1(CC)CCC(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 252478908 AXDDRBZBPSJATM-CQSZACIVSA-N 330.494 2.564 0 50 EFAA COCCn1cc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cn1 252479197 BAQMBBIOAAVAIA-RDTXWAMCSA-N 342.443 2.571 0 50 EFAA Cc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(C)c2C)s1 901730053 JEBCCQASBAEUFG-UHFFFAOYSA-N 340.426 2.876 0 50 EFAA O=C(Nc1cccnc1OCC(F)F)[C@H]1CCCC[C@H]1C(=O)O 910802681 LYUHVEDSPASHIJ-VHSXEESVSA-N 328.315 2.555 0 50 EFAA Nc1ccc(CN2CCOc3c(Br)cccc3C2)cn1 930273842 RVCGVBSGJQLAOA-UHFFFAOYSA-N 334.217 2.821 0 50 EFAA CC(C)(C(=O)O)[C@@H](NC(=O)c1cnc2n1CCCC2)c1ccccc1 833416165 ZQOKCLXEKPPBIG-INIZCTEOSA-N 341.411 2.801 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(C)cccn3c2)C1 935513382 JEUKMQMQFQAYTI-GOEBONIOSA-N 340.383 2.541 0 50 EFAA Oc1ncccc1-c1noc([C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 874434953 HWUPHZUMFAMWQV-QWHCGFSZSA-N 337.335 2.880 0 50 EFAA C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1C1CC1)c1cccc2cccnc12 1875278382 UXWIBBBEPHWPOW-XGWLTEMNSA-N 325.412 2.851 0 50 EFAA COc1c(NCc2cccnc2O)cc(Cl)cc1C(=O)N(C)C 1875284830 PLYAPQNXCQGJDT-UHFFFAOYSA-N 335.791 2.763 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F 1875304680 QXHXIAAHQREBPX-AALXLURJSA-N 327.371 2.962 0 50 EFAA CC(C)CNC(C)(C)c1cn([C@H]2CCc3ccccc3NC2=O)nn1 1875304416 JUCQUKIYHJCVIN-INIZCTEOSA-N 341.459 2.885 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cc(F)ccc1F 1875316449 RVRVLQQGCQFOHZ-UHFFFAOYSA-N 328.322 2.518 0 50 EFAA CC(=O)N1CC(OCc2nnc([C@@H](C)Cc3ccccc3Cl)o2)C1 888076720 PMZXKULXYLXMIF-NSHDSACASA-N 349.818 2.817 0 50 EFAA COc1ccnc(CN2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)c1 957281318 RTQMZHJUHGAXKU-HNNXBMFYSA-N 331.460 2.561 0 50 EFAA CC(C)C[C@@H](CC(=O)O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 899814884 VJHFXPDPTWHTPG-JXFKEZNVSA-N 345.439 2.824 0 50 EFAA COc1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 70282 MLQOGRAGMVPJPN-WJDWOHSUSA-N 349.415 2.683 0 50 EFAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)OCc1ccccc1F 211552 JEDHRYKEQVUCHX-INIZCTEOSA-N 327.355 2.885 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC(=O)N3CCCN=C3S2)ccc1Cl 613628 UFTAAYMQLLYPCI-GFCCVEGCSA-N 337.832 2.681 0 50 EFAA Cn1nc(-c2ccccn2)cc1NC(=O)c1nn(C)c2ccccc12 2100547704 NDEZCWUJNGIFRT-UHFFFAOYSA-N 332.367 2.621 0 50 EFAA COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1Cl 15085632 JJLMXYKDPIANHZ-UHFFFAOYSA-N 335.772 2.670 0 50 EFAA COc1ccc2o/c(=N\c3ccc(C(C)=O)cc3)c(C(N)=O)cc2c1 16890664 DCXGVHLXRUYNCE-VZCXRCSSSA-N 336.347 2.975 0 50 EFAA O=C(O)C[C@H](CNCc1cn[nH]c1)c1cc(Br)cs1 2325770604 JYRDGUAELYWVEV-SECBINFHSA-N 344.234 2.582 0 50 EFAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(Cc2conc2C(C)(C)C)CC1 2325773081 RJKZVKHEQCHPPS-IAGOWNOFSA-N 348.535 2.963 0 50 EFAA CN(Cc1nc(-c2ccccc2)n[nH]1)C(=O)C[C@@H]1NCc2ccccc21 2325774943 JONUFZKATBEKFQ-KRWDZBQOSA-N 347.422 2.665 0 50 EFAA CC(C)c1cnc(Nc2ccc([C@H](C)N)cc2)nc1N1CCNCC1 2325791073 QOAJNMSKMCXOIF-AWEZNQCLSA-N 340.475 2.773 0 50 EFAA O=C(NC[C@H]1Cc2ccccc2CN1)c1cc(Cl)c2n[nH]cc2c1 2325856820 DPQLVVYCRUDESV-OAHLLOKOSA-N 340.814 2.661 0 50 EFAA Cn1nc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)cc1C(F)F 935864869 QQNVCFMHYYAYCF-RYUDHWBXSA-N 349.385 2.642 0 50 EFAA Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)C1 982389971 GBJVDGIYBCGAFU-MRXNPFEDSA-N 346.475 2.575 0 50 EFAA CCc1cccc(CC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1 127072941 WTISPOVAPDRNEO-KRWDZBQOSA-N 338.455 2.735 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1 309361 QXJFXODGKXVYLG-UHFFFAOYSA-N 329.425 2.888 0 50 EFAA COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 514505 QTDZPKHHRFZXKW-AWEZNQCLSA-N 329.396 2.830 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)COc2ccc(C)c(C)c2)n1 780060 PSMIYNHCZUCUOZ-UHFFFAOYSA-N 348.424 2.883 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1719682 PFNWVLUFYSPONA-UHFFFAOYSA-N 344.164 2.928 0 50 EFAA O=C(CCC(F)(F)F)N1CCc2nc(-c3ccccc3)nn2CC1 2356170218 QRSFTFURHDCMAG-UHFFFAOYSA-N 338.333 2.672 0 50 EFAA O=C(CSc1nc2ccccc2o1)Nc1ccc(O)c(C(=O)O)c1 4748846 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2.915 0 50 EFAA C[C@@H](NC(=O)c1ncccc1O)c1noc(-c2ccc(Cl)cc2)n1 134177130 GEBPLGMPWSFUGI-SECBINFHSA-N 344.758 2.982 0 50 EFAA COC(=O)[C@@H]1CCCN1Cc1cn(C)nc1-c1cccc(Cl)c1 64014855 HEEGWOKDSCAIRR-HNNXBMFYSA-N 333.819 2.878 0 50 EFAA O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccc(F)cn1 123303657 BDUXHVQDKIBQCN-LBPRGKRZSA-N 327.718 2.868 0 50 EFAA CCn1ncc(C(=O)NCc2nn(C)c3cccc(Cl)c23)c1C 65404401 KIQRLSSVDQBHEJ-UHFFFAOYSA-N 331.807 2.682 0 50 EFAA Cc1noc([C@@H]2OCC[C@@H]2NC(=O)Cc2ccc(C3CCC3)cc2)n1 1438191063 DDLXPILONFQVPH-FUHWJXTLSA-N 341.411 2.834 0 50 EFAA CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 229080438 HCLVYFOYWBFLBG-RVKKMQEKSA-N 345.487 2.573 0 50 EFAA C[C@H](C(=O)NCc1cccnc1N(C)Cc1ccccc1)n1ccnc1 67789930 UJCCPGDIGSWQKJ-MRXNPFEDSA-N 349.438 2.792 0 50 EFAA Cc1nn(CCC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c(C)c1C 67909207 KUTOUIRMSLYETB-UHFFFAOYSA-N 341.459 2.828 0 50 EFAA COc1cccc(CN2C[C@H](C(=O)N3CCCCCC3)CCC2=O)c1 12313981 AMFQINGULLGYEA-QGZVFWFLSA-N 344.455 2.836 0 50 EFAA Cc1nc(O)ccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 230198256 KRCDHIJCKPALCM-RDJZCZTQSA-N 347.365 2.549 0 50 EFAA CC(C)=CCN1CCC[C@@](O)(CNC(=O)Cc2ccccc2)CC1 72149345 MTYIAIBJKXABNG-FQEVSTJZSA-N 330.472 2.529 0 50 EFAA CC(C)(C)OC(=O)N1CCCN(Cc2cnc(Cl)cn2)CC1 231284822 NXBGVTZONQDRJE-UHFFFAOYSA-N 326.828 2.573 0 50 EFAA O=C(O)C[C@@H](C[P@]1(=O)Oc2ccccc2-c2ccccc21)C(=O)O 34064807 XZAXQWXHBDKYJI-BUBHHJDNSA-N 346.275 2.825 0 50 EFAA C[C@H](OCCCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)c1ccccc1 252677068 YANYYZGPZCEOHF-AIHBUXEESA-N 344.455 2.973 0 50 EFAA COCC1(CNC(=O)NC2CCC(O)(c3ccccc3)CC2)CCC1 253398638 IJLSYHQWQREOCF-UHFFFAOYSA-N 346.471 2.933 0 50 EFAA CCn1cnnc1[C@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 328628046 GVLMMIJJUVCMLJ-CYBMUJFWSA-N 335.477 2.626 0 50 EFAA CN(C)CC(=O)N1CCC(c2ccc(Br)cc2)CC1 253630004 RBUJNXIODHJGIC-UHFFFAOYSA-N 325.250 2.717 0 50 EFAA CCOc1cc(CNCc2nc(-c3ccncc3)n[nH]2)ccc1OC 414547408 HXHJGIWCORTMFF-UHFFFAOYSA-N 339.399 2.564 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCc4n[nH]cc43)c2)n1 279911928 ANACCWSSEOIIFH-UHFFFAOYSA-N 335.411 2.864 0 50 EFAA O=C(c1cscn1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261674097 GNQWHFQPAXULEE-AWEZNQCLSA-N 333.482 2.989 0 50 EFAA CC[C@@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 236954863 XMVQYAGHOWEYEO-OLZOCXBDSA-N 345.317 2.511 0 50 EFAA Cc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2N)cc1 39242602 YVQPJKPVGHQOMG-UHFFFAOYSA-N 331.372 2.817 0 50 EFAA Cc1ocnc1CNC(=O)N1CCC(N2CCc3ccccc32)CC1 281908450 NFBSITACTKXRTE-UHFFFAOYSA-N 340.427 2.720 0 50 EFAA O=C(Cc1c(Cl)cccc1Cl)N[C@H](C(=O)O)[C@H]1CCCOC1 262877556 XGUNFTWKUDSZHX-XPTSAGLGSA-N 346.210 2.532 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N[C@@H](CC3CC3)C(=O)O)cc12 262201413 VGGFTLBPPIYCCE-NSHDSACASA-N 335.429 2.741 0 50 EFAA Cc1cc(Br)cc(C(=O)NCC[C@@H](C)[S@](C)=O)c1 129532483 MUSJFBFMJZTMAN-MLCYQJTMSA-N 332.263 2.644 0 50 EFAA Cc1ccc(O)c(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)c1 340330364 LHOXIPHHJPRASS-UHFFFAOYSA-N 349.408 2.512 0 50 EFAA Cc1cccc(N2C[C@@H](C)N(C(=O)Cc3ccccc3O)CC2=O)c1 82137349 IWJBLHMGMAWSJW-OAHLLOKOSA-N 338.407 2.507 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC=C(c2cccnc2)C1 496542133 HSWZOCVJECLENK-MRXNPFEDSA-N 343.427 2.707 0 50 EFAA O=C(O)c1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1 263447903 GJECMVOVLKUYMK-GOSISDBHSA-N 338.407 2.838 0 50 EFAA COc1ccc2c(C(=O)NCC3(O)CCCCC3)cc(C)nc2c1 426488274 PHYQNBUDELMEQQ-UHFFFAOYSA-N 328.412 2.977 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 226264359 LPMJXZCKUWKSPX-WYUUTHIRSA-N 328.151 2.586 0 50 EFAA COCc1noc(CCNC(=O)c2cc(C(F)(F)F)ccc2C)n1 223024927 IUBICKDMQADREZ-UHFFFAOYSA-N 343.305 2.516 0 50 EFAA COCCc1nc(CNC(=O)C2(c3ccccc3)CCCCC2)no1 222263010 ZDWROJOQKVPSJX-UHFFFAOYSA-N 343.427 2.777 0 50 EFAA CCOc1ccccc1NC(=O)NCCSc1nnc(C)n1CC 96138541 NMEJTVGSHFVXGR-UHFFFAOYSA-N 349.460 2.919 0 50 EFAA CC(C)N(C)C(=O)CN1CCC2(CC1)C[C@@H](c1ccccc1)CN2C 95523444 VQFIQXGTPWGBNU-LJQANCHMSA-N 343.515 2.807 0 50 EFAA O=C(NCc1ccncc1)c1cc(CN2CCc3ccccc3C2)on1 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327.384 2.557 0 50 EFAA CCN1CCC[C@@H]1CN1C(=O)CC[C@@H]1CCNCc1ccccc1F 823110168 BYSGGPWSKAACJH-QZTJIDSGSA-N 347.478 2.781 0 50 EFAA CC[C@@H](C)Cc1nc(-c2ccc(-n3cccn3)cc2)n(CCO)n1 670458881 UOAUWPVCWZSXSB-CQSZACIVSA-N 325.416 2.712 0 50 EFAA COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)cc1OC 670425338 PPDIKCSDXGZYPA-OXUXUCFPSA-N 331.368 2.555 0 50 EFAA COC[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc23)CCO1 408518689 UWLPNFNBTOOFTI-JTQLQIEISA-N 327.306 2.558 0 50 EFAA COc1ccccc1OCC(=O)Nc1nccnc1C(F)(F)F 170089319 AYWVMKAQGBZKIM-UHFFFAOYSA-N 327.262 2.522 0 50 EFAA CNC(=O)c1ccc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc1 170592928 JJMCHXYOJVICLF-LCYFTJDESA-N 339.347 2.858 0 50 EFAA O=C(/C=C/c1ccc(F)cc1)OC1CCN(c2cccnn2)CC1 170609342 DVVAEYIMWVVZCR-VMPITWQZSA-N 327.359 2.841 0 50 EFAA COC(=O)[C@H]1CC[C@@H](NC(=O)CCc2nc3ccccc3s2)C1 170618040 GIHXOETXCHLKIW-NWDGAFQWSA-N 332.425 2.687 0 50 EFAA COc1cccc([C@H](C(=O)O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 634693412 XGISNUNAXNXDMU-LERXQTSPSA-N 347.333 2.863 0 50 EFAA COCCN(Cc1sccc1Br)C(=O)c1cc[nH]n1 190164897 WUAKGIMBUGRGGV-UHFFFAOYSA-N 344.234 2.523 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnn(-c3ccc(F)cc3)c2)C1 643773220 MIJMNNLGJBKLLP-SJORKVTESA-N 341.390 2.697 0 50 EFAA CN1C(=O)C[C@H](NCc2noc(C3CC3)n2)[C@@H]1c1ccc(Cl)cc1 192155879 FVQRMRFASHUMHR-BBRMVZONSA-N 346.818 2.662 0 50 EFAA c1cncc([C@H](NC[C@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 195102923 HVURKGCOXYFEQW-IRXDYDNUSA-N 342.443 2.950 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@H](OC2CCC2)C1 654539421 GYNVVCZZMQPPJL-DZGCQCFKSA-N 333.432 2.894 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2nccnc2N(C)C)n1 1704301435 ZIHPWDRPHYGXTN-SNVBAGLBSA-N 342.369 2.815 0 50 EFAA CCOc1cc(CN2C[C@H]3C[C@@H](O)[C@H]3C2)cc(Cl)c1OCC 1772703105 ZIVGERJSCKCJMC-VNHYZAJKSA-N 325.836 2.950 0 50 EFAA O=C1CN(C(=O)c2ccc(Cl)s2)C[C@H](Cc2ccccc2)N1 1772712099 MPRGXRAPIPLIKZ-LBPRGKRZSA-N 334.828 2.585 0 50 EFAA CCCCN[C@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 14748703 JDYCHMQCMOOBKQ-INIZCTEOSA-N 340.471 2.538 0 50 EFAA O=C(NCc1cccs1)[C@H]1CC12CCN([C@@H]1CCSC1)CC2 14988502 IOGCICZYFAAWJY-UKRRQHHQSA-N 336.526 2.972 0 50 EFAA CCCCNC(=O)c1sc2ncnc(N[C@@H]3CCOC3)c2c1C 14988589 AGEWMSINLHPUOL-LLVKDONJSA-N 334.445 2.730 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 19922470 FGQIGDMQDOWAHO-UHFFFAOYSA-N 340.423 2.845 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(CC[C@@H]1CCOC1)CC2 1857700362 AMIMYBDTYLIHLQ-MRXNPFEDSA-N 325.456 2.914 0 50 EFAA O=C1C[C@H]2N(Cc3ccccc3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857711003 WNADESGVTCLHDV-ZVDOUQERSA-N 334.419 2.961 0 50 EFAA Cc1noc(C)c1CN1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875240147 JVDWUSYGZBHDIQ-IRXDYDNUSA-N 336.819 2.879 0 50 EFAA C[C@@H](CN1CCCCCC1)NC(=O)N1CCC([C@H]2CCCO2)CC1 225492825 PCNKWTNYRSCVSE-FUHWJXTLSA-N 337.508 2.852 0 50 EFAA CSC1(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)CC1 225605243 OSIYHTRLAPPLFH-UHFFFAOYSA-N 346.496 2.531 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2ccccc2Br)C1 237524558 QKJUGHFILNSULP-OAHLLOKOSA-N 340.217 2.705 0 50 EFAA COc1ccc(C(=O)N[C@H]2CCc3[nH]ncc3C2)c(OCC(C)C)c1 240465958 GBSCVGLARRVGQF-AWEZNQCLSA-N 343.427 2.740 0 50 EFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(C3CCCCC3)C2)nn1 14983395 WXXLATGHDCGFBC-MRXNPFEDSA-N 333.480 2.730 0 50 EFAA CNC(=O)CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 252493641 NEZOSZBKWNGAPE-AWEZNQCLSA-N 326.396 2.693 0 50 EFAA CCCC[C@@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 253397232 REOPWPZZACOVEU-ZIAGYGMSSA-N 343.431 2.537 0 50 EFAA COc1ccccc1CC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376074794 QVLNGIKMNLHVTQ-MOPGFXCFSA-N 339.435 2.862 0 50 EFAA COC(=O)[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 494470241 DSAWZHQRYHVKAZ-RRFJBIMHSA-N 327.783 2.850 0 50 EFAA O=C(O)c1cnc([C@H]2CCN(Cc3noc4c3CCCC4)C2)s1 903924163 JHXUWLUKIMMCAY-JTQLQIEISA-N 333.413 2.698 0 50 EFAA CC(C)Cc1ccc(-c2noc(CN3CCCCCC3=O)n2)c(O)n1 904236418 ZDHYRWDSEOXVHM-UHFFFAOYSA-N 344.415 2.938 0 50 EFAA Cn1nncc1C(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21 906240440 YTTINIDWFGHROK-UHFFFAOYSA-N 340.305 2.652 0 50 EFAA CC(C)(C)Cc1ncc(C(=O)N[C@@H](C(=O)O)c2cccnc2)s1 907784707 HLGNGQFXIRORBI-CYBMUJFWSA-N 333.413 2.682 0 50 EFAA C[C@H]1C[C@H](NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CCN1C 952994924 WTYJMZNTVFKPQP-RFQIPJPRSA-N 349.441 2.685 0 50 EFAA O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)c1cc(C(F)(F)F)nn1C1CC1 1875303564 DNUSUXATIHSFRM-BDAKNGLRSA-N 345.321 2.610 0 50 EFAA CC[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1occc1C1CC1)OC 1875344136 FLNRYRVKJLDEDJ-IMJJTQAJSA-N 348.443 2.739 0 50 EFAA COc1ccc2c(c1)C(CCNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)=CC2 1875304375 IOXBWRYZIYONPE-LSDHHAIUSA-N 329.396 2.642 0 50 EFAA Nc1nnc([C@@H]2CCCN(C[C@H](O)c3cccc4ccccc34)C2)o1 878945109 FAQGIXRUVCPDNK-PBHICJAKSA-N 338.411 2.718 0 50 EFAA O=C(NCc1nc2c(s1)COCC2)[C@@H]1CCc2ccccc2C1 885968077 ACGFDMCSCWRSIA-CQSZACIVSA-N 328.437 2.637 0 50 EFAA COc1ccccc1CN[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886060591 PYPBVYVZSVQHFV-ZFWWWQNUSA-N 330.350 2.727 0 50 EFAA CCc1nsc(N2CCN(Cc3nc(C(C)(C)C)co3)CC2)n1 892104206 BFHHPKQFIVAOKR-UHFFFAOYSA-N 335.477 2.708 0 50 EFAA O=C(Nc1cn[nH]c1)[C@H]1CCN(c2nc(C3CCCCC3)ns2)C1 894886635 WEPCUDPVLDAVBE-LBPRGKRZSA-N 346.460 2.774 0 50 EFAA CC[C@@H](C)CS(=O)(=O)NCc1nnc(C2CC2)n1-c1ccccc1 1775989744 RDTOKLJZGUQFLR-CYBMUJFWSA-N 348.472 2.610 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NCCCn3cccn3)C(C)(C)[C@@H]21 1875307755 UJLIVYVJJTWUCI-OWCLPIDISA-N 348.491 2.897 0 50 EFAA Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccccc1N=S(C)(C)=O 2325761971 RDVIVGWQEBXQCF-GFCCVEGCSA-N 346.456 2.838 0 50 EFAA CC(C)C(=O)[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1O 2325783023 UNQOJSWQJDVEPY-AWEZNQCLSA-N 345.374 2.547 0 50 EFAA Cc1ncc(CCNC(=O)c2cc3c(C(F)F)nn(C)c3s2)[nH]1 2325802249 UDTXKPXTXRVDFD-UHFFFAOYSA-N 339.371 2.576 0 50 EFAA CCn1ccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1=O 2325824993 YMUOMVPZDYVEFC-UHFFFAOYSA-N 336.395 2.923 0 50 EFAA C[C@@H]1Cc2c(Cl)cccc2[C@H]1NC(=O)c1ccc(N(C)C)nn1 2325873757 SGPUKEBYKMVESP-HWPZZCPQSA-N 330.819 2.859 0 50 EFAA CC(C)CC(=O)Nc1ccc(I)cc1C(=O)O 33415 FRWQNGXVTBHRQG-UHFFFAOYSA-N 347.152 2.974 0 50 EFAA Cc1ccc([C@H](CC(=O)N2CCNCC2)c2ccccc2)c(O)c1C 213710 BRGBGTPPOGEBIZ-LJQANCHMSA-N 338.451 2.963 0 50 EFAA C[C@H](C(=O)N1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 366621 RWPDXRYRUKBNIA-CYBMUJFWSA-N 344.436 2.750 0 50 EFAA COc1cc(S(=O)(=O)NCc2ccco2)ccc1Br 528954 COTHMPKLUVGTKU-UHFFFAOYSA-N 346.202 2.529 0 50 EFAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]12CCCNC2=O 2356143169 XEWMHQVQTPWUQW-HXUWFJFHSA-N 339.439 2.762 0 50 EFAA C[C@H](NC(=O)C(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 3073533 HHZKMFQQJGVLOU-ZDUSSCGKSA-N 346.814 2.712 0 50 EFAA CC(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1 4384057 BWSITLOSUCRGHY-UHFFFAOYSA-N 335.363 2.628 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccc2Cl)c(OC)c1 6731449 JHMCDYXCIIIAOZ-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA C[C@H](CCNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1ccccc1 222035573 LFLIOOPZXFLICI-NJAFHUGGSA-N 343.471 2.880 0 50 EFAA CCc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc2c(c1)CCO2 225530548 QONJBTXAVYWSTC-UHFFFAOYSA-N 347.392 2.683 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)c1 111862408 BATPJCYEIKNAQA-HNNXBMFYSA-N 347.488 2.854 0 50 EFAA CC(C)=CCN1CCN(c2cc(C)nc(C(C)C)n2)C[C@@H]1CCO 106943166 WVWYFLRBBMMGML-KRWDZBQOSA-N 332.492 2.748 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1cc2cccnc2nc1C 55042074 AUXJYESPJJICNI-OAHLLOKOSA-N 339.395 2.945 0 50 EFAA CCNC(=O)[C@@H]1CCN(c2cc(C)c3cc(OC)c(OC)cc3n2)C1 55100012 SZEIVZGCRRMPFI-CYBMUJFWSA-N 343.427 2.523 0 50 EFAA Cc1cccc(F)c1NC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 133550072 CAZDXTHNHSJRNH-AWEZNQCLSA-N 335.423 2.757 0 50 EFAA O=C(CCc1ccsc1)N[C@H]1CCCN(Cc2ccccn2)C1 12448819 JZAPDELNPMYAJO-KRWDZBQOSA-N 329.469 2.857 0 50 EFAA Cn1c(Cl)cnc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 246723312 OEWHFQHIGOPEHQ-GWCFXTLKSA-N 327.762 2.660 0 50 EFAA C[C@]1(C2CCNCC2)NC(=O)N(Cc2cccc3ccccc23)C1=O 67654459 HFIYOJBZRYIVHI-HXUWFJFHSA-N 337.423 2.650 0 50 EFAA Cc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2c1c(C(C)(C)C)nn2C 65503962 GULXIZQXDOXRSZ-SECBINFHSA-N 335.839 2.887 0 50 EFAA CC(C)c1nc(-c2cnn3cc[nH]c23)n(-c2ccc3c(c2)OCO3)n1 67740877 QIEMDJUYBKYYKL-UHFFFAOYSA-N 336.355 2.762 0 50 EFAA CCc1nccn1Cc1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 67675614 QTJONPJMYHAFLW-SFHVURJKSA-N 342.374 2.722 0 50 EFAA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(C)C1 63845362 ZRQDGVXGBAALMV-MRXNPFEDSA-N 340.427 2.593 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)CCc1cc(Cl)no1)C2 67473069 JNCCGVWRZJFDDU-UHFFFAOYSA-N 334.807 2.891 0 50 EFAA Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C1(C(N)=O)CC1 65406494 WRMNILMCJUPCOJ-UHFFFAOYSA-N 332.835 2.945 0 50 EFAA Cc1ncc(C)c(N2CCN(Cc3ccc(O)cc3Cl)CC2)n1 65387544 OJJKWGRGSKRNAL-UHFFFAOYSA-N 332.835 2.775 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c(C)[nH]2)cc1F 1364024432 GYESXRYVUFXVKV-OAHLLOKOSA-N 337.420 3.000 0 50 EFAA C[C@H](CNC(=O)CN(C)[C@H]1CCSC1)c1ccc(F)c(F)c1 252487110 RJQLKXBFXPIOSF-YPMHNXCESA-N 328.428 2.622 0 50 EFAA CC(C)Nc1ncnc2c1ncn2CCC(=O)Nc1cccc(F)c1 170807056 WQLUAQCPWCLUJI-UHFFFAOYSA-N 342.378 2.815 0 50 EFAA O=C(CCCc1c[nH]c2ccccc12)N1CC(=O)N(CC2CC2)C1 279593774 WMVLQEZGPFSMSB-UHFFFAOYSA-N 325.412 2.529 0 50 EFAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc2c(c1)CCCC2 219328973 URGBDLAWZKGULW-GOSISDBHSA-N 336.439 2.754 0 50 EFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(CCOc2ccccc2F)c1=O 328621779 AUGSXCDPEWJPQY-CJNGLKHVSA-N 349.406 2.941 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 71767205 XNGUTRYSNYGMHH-UHFFFAOYSA-N 346.408 2.745 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)Nc2ccc(C)cc2)n1 72117697 BLXYALUJFRXPCO-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA COCc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)no1 328636819 VQXBKZPQPTTXQZ-LLVKDONJSA-N 335.429 2.778 0 50 EFAA Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)s1 72410541 BQELXISJQLSMLY-DOTOQJQBSA-N 336.501 2.642 0 50 EFAA CC(C)[C@H](O)C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 71761500 YCEDDKUBYKDQAZ-INIZCTEOSA-N 336.338 2.521 0 50 EFAA CC(C)(C)Oc1cccc(CCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)n1 150741454 QWSNEWVIQXSYIN-GJZGRUSLSA-N 332.444 2.706 0 50 EFAA CC(C)COc1cccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1 449743940 CIFQJLZQCAIHAJ-KRWDZBQOSA-N 333.476 2.957 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nnc(S)o2)cc1 123604681 QTELMKVCOYMDRR-ZDUSSCGKSA-N 333.413 2.666 0 50 EFAA Cc1cncc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)c1 435566777 BNTMXYWGCMWVMZ-OAHLLOKOSA-N 342.468 2.631 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 156672222 JOPLCMKAVURWRP-NSHDSACASA-N 341.367 2.613 0 50 EFAA C[S@@](=O)C1(CNCc2ccc(F)c(Br)c2)CCC1 280726557 VLKMPFORWHTRKV-GOSISDBHSA-N 334.254 2.979 0 50 EFAA Cc1cc(NC(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)n(C)n1 1365026019 CIKDOTPWSKMGRL-GDBMZVCRSA-N 344.415 2.743 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1C 332491736 XEWBSSZIVITLBE-AWEZNQCLSA-N 340.427 2.652 0 50 EFAA COC(=O)CCCS(=O)(=O)N1CCC[C@H]1/C=C/c1cccs1 373410424 ZJIUZMUATUFYBU-XEHSLEBBSA-N 343.470 2.509 0 50 EFAA CC(C)c1c(C(=O)NCC[C@H]2CCNC2)cnn1-c1ccc(F)cc1 262601007 XMQZBPJMVIXNPZ-CQSZACIVSA-N 344.434 2.864 0 50 EFAA CC1(C)CN(C(=O)c2cnc(C3CC3)nc2)C[C@](C)(C(F)(F)F)O1 452151912 OHTKJMQYVUIIAQ-OAHLLOKOSA-N 343.349 2.926 0 50 EFAA Cc1ccc(C(=O)NC2CCC(S(C)(=O)=O)CC2)cc1Cl 172673930 OEAAHAHDPMKJHK-UHFFFAOYSA-N 329.849 2.734 0 50 EFAA Cc1ccc(N2CCC(Oc3ccc(F)cc3C)(C(=O)O)CC2)nn1 72478750 ODTCPTCVDNBUAL-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA CCn1nnc(C)c1CN1CCC[C@H](OCc2ccccc2F)C1 449292970 FZUXPYRHCOOBSW-INIZCTEOSA-N 332.423 2.927 0 50 EFAA Cc1cc(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc(C)c1Cl 282938215 GNDHWGGNBDWRPG-SNVBAGLBSA-N 344.864 2.855 0 50 EFAA O[C@@]1(CNCc2c(F)cccc2OC(F)(F)F)CCSC1 240626717 HIXDRSRQPPRPST-GFCCVEGCSA-N 325.327 2.682 0 50 EFAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H]2c2nncn2C)o1 241367986 MJDFWSKFAHCEAY-DOMZBBRYSA-N 331.420 2.584 0 50 EFAA CC[C@@H](O)CN1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 174087186 TVIUAMLXENMGPB-QGZVFWFLSA-N 349.862 2.884 0 50 EFAA c1ccc(N(C[C@H]2CN3CCOB(OCC3)O2)c2ccccc2)cc1 195812639 MHIBLXPUPOPMAY-LJQANCHMSA-N 338.216 2.557 0 50 EFAA O=C(CCn1cccn1)N1CCCC[C@H]1CCc1ccc(O)cc1 82170831 JHSMNCSCMOJEAS-KRWDZBQOSA-N 327.428 2.993 0 50 EFAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC2CCCCCC2)cc1 222338323 QTVVLNOCXPAVME-QZTJIDSGSA-N 332.444 2.634 0 50 EFAA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1nc2ccccn2c1F 220549498 IBNOJIABLKFBDG-GUSZCTEKSA-N 343.402 2.797 0 50 EFAA O=C(NCc1ccc(F)cc1Br)N[C@@H]1CCCOC1 288865579 NJWDGDXIIHUFIY-LLVKDONJSA-N 331.185 2.566 0 50 EFAA Cn1nc(C(=O)N2CCOC3(CCCC3)C2)cc1-c1cccs1 223871539 PGUXEGNJPKLOCY-UHFFFAOYSA-N 331.441 2.934 0 50 EFAA COCc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1 48255124 SPRBKJLZVIGXQC-UHFFFAOYSA-N 334.464 2.634 0 50 EFAA O=C(Nc1ccc2[nH]cnc2c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 40286133 MPMKYCAOVFHKHS-NSHDSACASA-N 338.342 2.694 0 50 EFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1Cl 177656727 ILMMFDIHKIDILD-HNNXBMFYSA-N 344.846 2.724 0 50 EFAA O=C(CSC[C@@H]1CCCN2CCCC[C@@H]12)NCCc1ccccn1 334161094 SUUHDEJURSMEOQ-WMZOPIPTSA-N 347.528 2.738 0 50 EFAA CSc1ncc(CNC(=O)c2ccc([C@H]3CCCO3)s2)n1C 91550425 MVVNZBUIVBDNCQ-LLVKDONJSA-N 337.470 2.985 0 50 EFAA CCc1ccc(NC(=O)C(=O)Nc2ccccc2C[S@](C)=O)cc1 163007917 WHPIJSGDGQPSST-XMMPIXPASA-N 344.436 2.705 0 50 EFAA 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COc1cccc(SCC(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 824787668 BRIFPTODLPENTP-ZDUSSCGKSA-N 333.457 2.806 0 50 EFAA COCCN(Cc1sccc1C)C(=O)NC[C@@H](C)n1ccnc1 584904176 ODVIGOZFJIDNFK-CQSZACIVSA-N 336.461 2.672 0 50 EFAA CC(=O)Nc1cccc2c1CCN(c1nc(O)c3ccccc3n1)C2 301135185 ZAOMZALWFHEAGF-UHFFFAOYSA-N 334.379 2.857 0 50 EFAA C[C@@H](C[S@](C)=O)NC(=O)N[C@H](C)Cc1ccc2ccccc2c1 170594156 NACSOPZRDGCIFD-XXAQJILISA-N 332.469 2.837 0 50 EFAA CC(C)(C)OC(=O)NCc1cc(C(=O)NCC[C@@H]2CCCO2)co1 170602129 IQOARNRQVJQVQT-ZDUSSCGKSA-N 338.404 2.603 0 50 EFAA O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc2nc(S)oc2c1 170647557 PLOAHKZZUHODJH-SNVBAGLBSA-N 344.396 2.602 0 50 EFAA CCn1cc([C@H]2CN(C(=O)N[C@@H](C)Cc3cccs3)CCO2)cn1 191040003 IDTZVRCGNPFNAN-XJKSGUPXSA-N 348.472 2.679 0 50 EFAA CCc1noc(C)c1C(=O)NCc1c(C(=O)O)oc2ccccc12 737913376 PETXMMLAACBKKX-UHFFFAOYSA-N 328.324 2.920 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccn1 192424998 YYBWZKPVJJPNMO-SNVBAGLBSA-N 340.309 2.598 0 50 EFAA 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343.435 2.537 0 50 EFAA Cc1cc(F)ccc1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 190892796 ZESVMGAKIZIVIP-UHFFFAOYSA-N 344.342 2.591 0 50 EFAA O=C(CCOc1ccccc1Br)N[C@H]1C[C@H]2CC[C@H]1O2 191295099 NACSMGKMPZZSSR-SCDSUCTJSA-N 340.217 2.654 0 50 EFAA CN(C)c1noc(C2CCN(c3ncnc4ccc(F)cc34)CC2)n1 192360227 KJJOEAGCSWWSEI-UHFFFAOYSA-N 342.378 2.602 0 50 EFAA O=C(O)COc1cccc(CNC(=O)c2cccc3c2CCC3)c1 192886952 SWBJGQJHJCWWNO-UHFFFAOYSA-N 325.364 2.569 0 50 EFAA CS[C@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 195573646 JRCJPTARKKYVEU-LDYMZIIASA-N 344.362 2.781 0 50 EFAA FC(F)Oc1ccc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1 1616083674 QPXADBATQFAWJN-RDJZCZTQSA-N 338.398 2.583 0 50 EFAA O=C1c2ccccc2C(=O)N1CCc1cn2cccc(Cl)c2n1 1267971641 FPZCBFPUFUNWNZ-UHFFFAOYSA-N 325.755 2.826 0 50 EFAA O=C(c1n[nH]c2c1CCCC2)N(Cc1ccccn1)C[C@@H]1CCCO1 1506417381 RJYTYQPQWMJOTC-HNNXBMFYSA-N 340.427 2.505 0 50 EFAA Cc1ncc(CN(CCO)C(=O)C2(c3ccccc3)CCCCC2)[nH]1 1704304447 ROWXAAITOFELOA-UHFFFAOYSA-N 341.455 2.941 0 50 EFAA 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CC(C)n1cc2c(n1)[C@H](O)CC1(CCN(C(=O)CCC3CC3)CC1)O2 1875394629 PRHQPEFBNZRDSE-OAHLLOKOSA-N 347.459 2.831 0 50 EFAA CCCn1cccc1C(=O)N1CC[C@@H]2CC[C@@]21c1nnc(COC)o1 1875404316 DPTNFLRXZJAGTD-UGSOOPFHSA-N 344.415 2.579 0 50 EFAA Cc1nnc([C@H]2CCCN(Cc3nc(CC(F)(F)F)no3)[C@H]2C)o1 886078275 SEDGJTYJASMNAG-WPRPVWTQSA-N 345.325 2.634 0 50 EFAA O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1ccc(F)c(Cl)c1F 886085726 MBIDCXGPNMCJHZ-CLAHSXSESA-N 341.745 2.849 0 50 EFAA O=C(N=c1cc[nH]cc1Cl)c1cnc(Nc2ccccc2)nc1 2100539631 QRQFJAIAVWTYGI-UHFFFAOYSA-N 325.759 2.943 0 50 EFAA C[C@H](Cc1nccn1C)NC(=O)N1CCn2c(cc3ccccc32)C1 2325769186 SIASKGFFFNDYPI-CQSZACIVSA-N 337.427 2.531 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCN(C)CC1 2325794600 JTJHSDYJQWHHMG-CQSZACIVSA-N 333.457 2.855 0 50 EFAA CCOc1cc(C=O)cc(Br)c1O[C@@H](C)C(=O)OC 2860969 KESJREQXWPBFRJ-QMMMGPOBSA-N 331.162 2.601 0 50 EFAA COc1ccccc1N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O 4857517 PSOXAFALIFRXSP-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA 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O=C1C[C@@H](c2nc3c(s2)CCCC3)c2c(nc3sccn23)CN1 65387981 PFPAKVGXCLRSLQ-SECBINFHSA-N 344.465 2.883 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nccn2C)nn1 67820463 IRRJZQPHIADJBS-UHFFFAOYSA-N 345.410 2.904 0 50 EFAA CCC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)co2)C1 351580045 AZBBOTCOEHXFIG-AWEZNQCLSA-N 327.384 2.929 0 50 EFAA CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3C=C[C@H]2C)cc1 252140011 GRWABGOYOBJIFQ-VJUNAUMWSA-N 340.423 2.802 0 50 EFAA COc1cccc(CC(=O)N(CCO)Cc2ccc(Cl)cc2)c1 252488087 IJBBRNOWPRDLLC-UHFFFAOYSA-N 333.815 2.912 0 50 EFAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(nc3sccn32)s1 252475351 YXFUBXYYVNTUIG-MNOVXSKESA-N 346.481 2.919 0 50 EFAA CN1CCc2nc(-c3ccco3)nc(N[C@@H]3CCSC3)c2CC1 72426073 VQLNUCQTXKZBRN-GFCCVEGCSA-N 330.457 2.684 0 50 EFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2cc(C)ccc2O)C1 6738282 LNQGJTGIUNAQNG-KRWDZBQOSA-N 326.352 2.841 0 50 EFAA COC[C@H](C)NC(=O)c1cc(COc2ccc3ncccc3c2)on1 12201655 VUCNTQOXGAZSTE-LBPRGKRZSA-N 341.367 2.567 0 50 EFAA 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O=C(COC[C@H]1CCCCO1)NCc1coc(-c2ccccc2)n1 223416224 MWNJTZVROXZZBF-MRXNPFEDSA-N 330.384 2.544 0 50 EFAA CNc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 92038126 XAJSDIULJVQSGF-UHFFFAOYSA-N 349.442 2.542 0 50 EFAA C[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)[C@H]2C1 239119615 IYAUJDXMNAZGAJ-OLUVUFQESA-N 327.306 2.581 0 50 EFAA CCNc1ncc(C(=O)N2CCC[C@H](COc3ccccc3)C2)cn1 92081146 HRDOVSCZJCQQSJ-HNNXBMFYSA-N 340.427 2.840 0 50 EFAA Cc1nc(CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)sc1C 95388449 PHAPZZPKEWKPSV-UHFFFAOYSA-N 342.424 2.828 0 50 EFAA COc1cc2c(cc1CNC(=O)c1cccc(-n3cnnc3)c1)CCC2 91818911 QIVMEDPRFRZHHG-UHFFFAOYSA-N 348.406 2.695 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 237408767 MHEKAIHIFSXXEA-STQMWFEESA-N 326.387 2.710 0 50 EFAA Cc1nc(C(C)C)oc1C(=O)NC1CCN(Cc2ccccn2)CC1 291986538 KJLLMJHNOQQRIQ-UHFFFAOYSA-N 342.443 2.896 0 50 EFAA Cc1cc(CCC(=O)N(C)[C@@H]2CCNC2)ccc1Br 179074916 HSTIVUWRNKVLKU-CYBMUJFWSA-N 325.250 2.510 0 50 EFAA Cc1ncc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)n1 180493020 SSIABZYDSKDBKW-HNNXBMFYSA-N 338.455 2.830 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C 180772245 XBLOARZBPIGJCY-OAHLLOKOSA-N 342.447 2.534 0 50 EFAA CSC[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 180802626 RGAYNLWESRHZRN-QCZZGDTMSA-N 330.400 2.846 0 50 EFAA CCn1nc(CO)c2c1CCN(Cc1cncn1C1CCCCC1)C2 244659758 HIFMVZVMRFJAAA-UHFFFAOYSA-N 343.475 2.655 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2nnc(N)s2)c1 244899395 ZJAPHYNMCGZSPE-NSHDSACASA-N 336.486 2.848 0 50 EFAA Cc1ccc2nccc(C(=O)NCCCN3CCCC[C@H]3CO)c2c1 244742058 OBFRIKSFPKRPAI-INIZCTEOSA-N 341.455 2.510 0 50 EFAA CCC(CC)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 252490088 KIVZDTJGXIGBFT-UHFFFAOYSA-N 328.453 2.568 0 50 EFAA CC[C@@H]1CCCCN1C(=O)Cn1cnc2cc(F)c(C)cc2c1=O 182281708 MQWAXLKKSGQHIR-CYBMUJFWSA-N 331.391 2.635 0 50 EFAA COc1ccc(C)cc1CCNC(=O)N1CC[C@@]2(CCCN(C)C2)C1 297796495 MGUOIJPNAYKZRK-HXUWFJFHSA-N 345.487 2.673 0 50 EFAA O=C(O)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 252587060 VJTZVYYNOKAGNU-NYUBLWNDSA-N 348.402 2.797 0 50 EFAA O=C1c2cc(Cl)ccc2-c2cccc(C(=O)N3CC[C@@H](O)C3)c21 32565363 ZMZDHAATUSKCSA-LLVKDONJSA-N 327.767 2.758 0 50 EFAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cnc(O)cn1 299792950 GKZSPOQPYKQLBU-QGZVFWFLSA-N 340.427 2.529 0 50 EFAA O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(C2CC2)c1 685943542 VUGHURCAWIKGHZ-FQEVSTJZSA-N 336.391 2.524 0 50 EFAA Cc1nc(N2CCC(Cc3nncn3C)CC2)c2c(C)csc2n1 1338099401 ANGSFRWBHYJFOO-UHFFFAOYSA-N 342.472 2.896 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCOc2ccccc21 268955020 UDCFGRRYUSBLRH-IRXDYDNUSA-N 337.375 2.591 0 50 EFAA CN(C(=O)Nc1ccnn1C)C1CCN(Cc2ccccc2)CC1 185409413 IGTBVXWCQGTEMZ-UHFFFAOYSA-N 327.432 2.548 0 50 EFAA C[C@@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccccc3)CC2)CCO1 271808291 AITHWGHZKNUQLQ-APWZRJJASA-N 330.472 2.830 0 50 EFAA CCC[C@@H](NC(N)=O)C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 272533393 KHFWJGBFIMKMGU-DZGCQCFKSA-N 347.463 2.544 0 50 EFAA CN(C)C(=O)CCCSc1n[nH]c(-c2cc(F)cc(F)c2)n1 188028579 SEIXSUPWUCFAKH-UHFFFAOYSA-N 326.372 2.710 0 50 EFAA COc1cccc(Cl)c1CNC(=O)C1CCC(C(=O)O)CC1 188288173 HPGHJRHHNFYMRE-UHFFFAOYSA-N 325.792 2.856 0 50 EFAA C[C@]1(c2ccccc2)CN(C(=O)Cc2n[nH]c3c2CCCC3)CCO1 188420210 UIEZETSBPMLJKJ-HXUWFJFHSA-N 339.439 2.605 0 50 EFAA Cc1c(C(=O)Nc2cc(C(=O)O)ccc2F)cnn1C1CCOCC1 191056298 WVKVKWKLPUHBHL-UHFFFAOYSA-N 347.346 2.633 0 50 EFAA CC(C)[C@H](CNS(=O)(=O)C1CCOCC1)Cc1ccccc1 191152418 ZCEUZUMGOOQNJX-INIZCTEOSA-N 325.474 2.600 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644069531 DIPXYRJIISONTG-FLLWYEDFSA-N 342.483 2.674 0 50 EFAA O[C@H](COc1ccccc1)Cn1nc(C(F)(F)F)c2cnccc21 193006430 VBABUFFFORMBEQ-NSHDSACASA-N 337.301 2.890 0 50 EFAA O=C(c1ncccc1Br)N1CCCC[C@H]1c1ncon1 193312042 HMQLXDMXYZICMV-JTQLQIEISA-N 337.177 2.595 0 50 EFAA CCOc1ccccc1OC1CCN(C(=O)C2(CN)CCCC2)CC1 195543338 QVGWSRQUDAKNBG-UHFFFAOYSA-N 346.471 2.974 0 50 EFAA Cc1cc(NC(=O)CCn2c(C)cccc2=O)n([C@@H](C)C2CC2)n1 1506408919 NKOJKYMQHVXROW-AWEZNQCLSA-N 328.416 2.661 0 50 EFAA O=C1NCCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C12CCCC2 1506406605 MCWQJNXBIGIANW-UHFFFAOYSA-N 344.846 2.770 0 50 EFAA COc1ccc(NC(=S)N(C)Cc2c(C)nn(C)c2C)c(OC)c1 621456 SMEOZULBXXHCGU-UHFFFAOYSA-N 348.472 2.883 0 50 EFAA COc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2)cc1OC 408629 DMTPSLQHAXJGJG-AWEZNQCLSA-N 329.396 2.830 0 50 EFAA COc1cc(OC)cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1 456415 RIYZTMDASPIRAL-UHFFFAOYSA-N 328.368 2.939 0 50 EFAA COC(=O)c1cc(NC(=O)/C=C/c2ccc(C)o2)cc(C(=O)OC)c1 461699 XNGMCNDEKCNYFY-VOTSOKGWSA-N 343.335 2.813 0 50 EFAA CC1=CC(C)(C)N2C(=O)C(=O)c3c(/C=C/N4CCOCC4)ccc1c32 1740816827 XDOMXOYIRJZRRH-VOTSOKGWSA-N 338.407 2.714 0 50 EFAA COc1ccccc1-c1nc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)c(C)o1 1775980482 BVJIVHVHTKXTRN-FICVDOATSA-N 328.412 2.861 0 50 EFAA O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCO2 5938821 BITSXEPWQGAORP-MRXNPFEDSA-N 345.420 2.814 0 50 EFAA Cc1ccc(CN(C)C(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1 11936743 GIDHNWYGAXSXIJ-UHFFFAOYSA-N 341.415 2.952 0 50 EFAA COC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)N2CCC[C@@H]12 14944195 VEWGPGAAIZSOKU-MSOLQXFVSA-N 328.456 2.679 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 218894409 JFQDQWGIENCGKG-VHFSOBRXSA-N 349.434 2.604 0 50 EFAA C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 2856878 ZJWXEKOJVMSMBF-CYBMUJFWSA-N 330.815 2.876 0 50 EFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccsc1 223209900 ATIBISZIAIHUNC-BFYDXBDKSA-N 329.421 2.925 0 50 EFAA Cc1cccc2c1CN(C(=O)c1n[nH]c3c1C[C@@H](C)O[C@H]3C)CC2 1857529785 XHMGZTVKNNYULB-OLZOCXBDSA-N 325.412 2.939 0 50 EFAA CN(C)c1nc2c(c(N3CCC(C4CCNCC4)CC3)n1)CCCC2 1857675989 AICUTGRZMPOGKY-UHFFFAOYSA-N 343.519 2.637 0 50 EFAA Cc1cc2cc(C(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)ccc2o1 1857685717 QTLJDGOXPYKBMR-OAHLLOKOSA-N 343.379 2.695 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(c1ncccc1C(=O)O)CC2 1857698680 CXQORAGCXOAXJL-UHFFFAOYSA-N 348.406 2.786 0 50 EFAA O[C@@]1(Cn2ccnc2-c2ccccc2OC2CCCC2)CCNC1 1857730455 QHVPBUBLIMLKLJ-IBGZPJMESA-N 327.428 2.596 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)N2CC[C@H](C(=O)N(C)C)C2)c(C)c1 413553527 MAUFOZUUJAMGLT-INIZCTEOSA-N 345.487 2.701 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 225385569 AUZZHBFEMCACMV-MDZLAQPJSA-N 332.366 2.625 0 50 EFAA Cc1cc(NC(=O)CCc2cccc(OC(F)F)c2)cn(C)c1=O 424733244 GKUWGDKVCYZAKO-UHFFFAOYSA-N 336.338 2.866 0 50 EFAA CC(C)C(=O)N1CCC(NCc2cc3ccccc3nc2O)CC1 236781035 MWXOOVMNVDKNNI-UHFFFAOYSA-N 327.428 2.677 0 50 EFAA COc1ccc(OC)c(COC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)c1 12420204 WSYOLZVNRJITHS-YQQAZPJKSA-N 337.460 2.844 0 50 EFAA CO[C@@H](C)c1nc(CN2CCn3c(nnc3C(C)(C)C)C2)cs1 662242961 FUYLBVBWUPQCNB-NSHDSACASA-N 335.477 2.755 0 50 EFAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1cccc(Cl)c1 345788547 DCDPMUJKSJYHLO-GVDBMIGSSA-N 325.836 2.581 0 50 EFAA CCOc1ccccc1CNC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 363519527 IJJNGBKNUPDFMK-IRXDYDNUSA-N 331.460 2.854 0 50 EFAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC=C(c2ccccc2F)C1 375275178 MPVXXFJCDQXNEE-ZDUSSCGKSA-N 327.359 2.592 0 50 EFAA C[S@@](=O)C1(CNc2nc(C(F)(F)F)ccc2C(=O)O)CCC1 393766093 TZCKNKOEUYSMGP-JOCHJYFZSA-N 336.335 2.512 0 50 EFAA Cc1cc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc(C)n1 1704339848 NNJDXVKPNPAONP-AZUAARDMSA-N 340.423 2.583 0 50 EFAA Clc1ccc(C2(NCc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 826351247 FIQSBWPCISQNHM-UHFFFAOYSA-N 326.791 2.694 0 50 EFAA COc1nccc2c(NC(=O)N3C[C@@H]4CN(C)C[C@]4(C)C3)cccc12 931707881 BQFIRTYACUIJCD-ORAYPTAESA-N 340.427 2.659 0 50 EFAA O=C(Nc1cccc2nccnc12)N1CCC(O)(C2CCC2)CC1 932217068 CHGCNPYLFWQWFG-UHFFFAOYSA-N 326.400 2.789 0 50 EFAA CC(C)(O)c1ccc(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1 858300426 NDJNQGHBQUJCDY-MAUKXSAKSA-N 329.444 2.895 0 50 EFAA FC(F)(F)[C@H](CCN1CCC[C@@H]1c1ccc[nH]1)N1CCOCC1 1875275676 UCLDCGJYZRIVTL-CABCVRRESA-N 331.382 2.805 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](CC(=O)N2CCc3c(O)ncnc3C2)C1(C)C 1875280711 ZRMQMDFGOJZQCE-IUODEOHRSA-N 347.459 2.687 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)N=c2cc(-c3cccs3)o[nH]2)c2nccn21 1875296574 DQKHYJXUDSYWQK-NXEZZACHSA-N 329.385 2.849 0 50 EFAA O=C(O)[C@H]1CN(Cc2cnn(CC(F)(F)F)c2)Cc2ccccc21 1875270526 HXMBKTDFYAVALE-AWEZNQCLSA-N 339.317 2.629 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(CC)[C@H](CC)c2ccncc2)CC1 1875365675 NPYVZFWONXODFD-QGZVFWFLSA-N 329.444 2.806 0 50 EFAA CC1(C)CC[C@@H](NC(=O)C[C@H]2C=CS(=O)(=O)C2)Cc2ccccc21 1875301369 GYLCPZIAIILOGP-GDBMZVCRSA-N 347.480 2.734 0 50 EFAA CN(CCN[C@@H](c1ccccc1)c1cnc[nH]1)C(=O)OC(C)(C)C 1775985177 XATNKZAMXRRKGJ-INIZCTEOSA-N 330.432 2.956 0 50 EFAA CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCSC[C@H]23 1776003723 FRKPEXUXTOFOBR-UKPHBRMFSA-N 334.441 2.631 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)ccc1Cl 100058539 IYDXRYYGRNQATP-WBRVRECLSA-N 331.755 2.740 0 50 EFAA C[C@H](c1nnc2n1CC[C@@H](c1ccccc1)CC2)N1CCOCC1 2100556125 CWEYFXYFVZNBGS-WBVHZDCISA-N 326.444 2.791 0 50 EFAA CCN(Cc1ccc2ccccc2c1)C(=O)c1cn2c(n1)CC[C@H](N)C2 2325787609 LCBQEXIHEDIHSP-SFHVURJKSA-N 348.450 2.972 0 50 EFAA CN(C)c1nc2cc(-c3noc([C@@H]4CNC(C)(C)C4)n3)ccc2o1 2325806073 QTXDZASLLHHODX-NSHDSACASA-N 327.388 2.799 0 50 EFAA Cc1cc(C2CCN(C(=O)c3ccn(C(C)C)c(=O)c3)CC2)on1 2325817941 HJMDFJRLKNCBPN-UHFFFAOYSA-N 329.400 2.745 0 50 EFAA Oc1ccc2c(c1)O[C@@H](c1nc(-c3ccc4c(c3)OCO4)no1)CO2 904536764 HHFCWDJNBKRCNL-OAHLLOKOSA-N 340.291 2.683 0 50 EFAA CN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc2ccccn12 2356137842 BORAMQQJXUUMGY-UHFFFAOYSA-N 338.392 2.922 0 50 EFAA Cc1cc(NC(=O)c2cnc(N3CCCCC3)nc2C)c(O)nc1C 2356150348 YDNUSSHGYWUVLH-UHFFFAOYSA-N 341.415 2.745 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccccc1 10328169 CAYBZOUDKLDUMU-ZDUSSCGKSA-N 332.425 2.858 0 50 EFAA O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 8205545 NQQCGOHBOAMEOO-UHFFFAOYSA-N 338.816 2.647 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)c1 101712976 FSMPVYXFITZGDE-XJNFMUPTSA-N 339.391 2.955 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@H]2c2nc(N(C)C)no2)cc1 225394713 XOKGLBCXLXQWEJ-ZDUSSCGKSA-N 331.376 2.513 0 50 EFAA COc1ccc([C@H](NCc2nc(N(C)C)no2)C(F)(F)F)cc1F 225628972 BQMWHPGUNCFKRT-LBPRGKRZSA-N 348.300 2.677 0 50 EFAA CCc1nccn1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 9061888 OFCZRTGOXSKQRH-UHFFFAOYSA-N 335.212 2.998 0 50 EFAA CCn1cnnc1[C@H]1CCCN(CCC(=O)N(C)c2ccccc2)C1 135022642 QCSOLPPSVPZPLV-INIZCTEOSA-N 341.459 2.531 0 50 EFAA COCC1(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)CCC1 225708278 SLDOOJVZKBKXLI-HNNXBMFYSA-N 333.428 2.791 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)N[C@H](Cc1ccccc1)C(=O)O 65362506 ATKINTXKKGBJRD-MRXNPFEDSA-N 340.354 2.593 0 50 EFAA COc1cccc(NC(=O)c2cccc(CN3CCC[C@@H](O)C3)c2)c1 65455809 PCUKWGXYHUQGJX-GOSISDBHSA-N 340.423 2.904 0 50 EFAA CC(=O)Nc1cccc(NC(=O)C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 249222185 ULZQUMYNPNBTPC-SUYBPPKGSA-N 343.427 2.763 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 136163077 QYKYPLGMLFGJBB-VWLVURMCSA-N 327.302 2.956 0 50 EFAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)O)C2)cc1 67784453 ZWZYPXJAPRIRJZ-HNNXBMFYSA-N 327.428 2.862 0 50 EFAA Cc1ccc(CN2CC[C@@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 67712668 UTXURIRJEIJBJU-HNNXBMFYSA-N 346.862 2.634 0 50 EFAA c1ccc(-n2ncc3[nH]c(-c4ccc(-n5cncn5)cc4)nc32)cc1 20542595 MRSOQTUYUPSKLN-UHFFFAOYSA-N 327.351 2.996 0 50 EFAA O=C(NCC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1 67678895 JCDZOEDCWVIAQV-GOSISDBHSA-N 330.472 2.832 0 50 EFAA O=C(Cn1nc(-c2ccco2)ccc1=O)NC1CCCCCCC1 61720530 VGJGUNRZDPPRQR-UHFFFAOYSA-N 329.400 2.732 0 50 EFAA Cc1ccc(-c2noc([C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n2)o1 350193939 QREKDNVVYDSFSL-UONOGXRCSA-N 343.383 2.547 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 33270356 ODRKEPWUCXMGSJ-CYBMUJFWSA-N 339.417 2.929 0 50 EFAA CSC[C@@H](C)NC(=O)C1CCN(Cc2csc(C)n2)CC1 120157235 FUEDWZKMKUPGCY-LLVKDONJSA-N 327.519 2.531 0 50 EFAA OCC(CO)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71415737 XEESFPXKPMSJRC-ZDUSSCGKSA-N 331.378 2.703 0 50 EFAA CC[C@@H](OC)C(=O)N1CCOc2ccc(Br)cc2C1 253393061 PTMCRDYQQNWHSB-GFCCVEGCSA-N 328.206 2.595 0 50 EFAA O=C(c1ccccc1OC[C@@H]1CCCO1)N1CC(C(F)(F)F)C1 253420575 HOHBOQFTGWYHNY-LBPRGKRZSA-N 329.318 2.879 0 50 EFAA Cc1cccc(C)c1C(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 72156572 GMOJBWLRNUWHOS-KRWDZBQOSA-N 340.398 2.973 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 153357916 QRRWKEMUGKZDGF-CRAIPNDOSA-N 331.460 2.699 0 50 EFAA O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCCCO1 329869805 ZJYUUQRXBWENBT-UHFFFAOYSA-N 344.268 2.593 0 50 EFAA Fc1ccc(OCCN2CCCC[C@@H]2CCN2CCOCC2)cc1 72119581 MBRTVUJZRJNAMA-GOSISDBHSA-N 336.451 2.781 0 50 EFAA COC(=O)CCc1ccc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 171561169 MDODVRFLVNHNOZ-CYBMUJFWSA-N 334.416 2.823 0 50 EFAA CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCCNC1=O 368985095 XHZBRHHPRRPZOK-GFCCVEGCSA-N 332.297 2.585 0 50 EFAA O=C(c1c[nH]nc1[C@@H]1CCOC1)N1Cc2ccccc2C2(CCC2)C1 375983001 FGNWSEMMDHZGCC-OAHLLOKOSA-N 337.423 2.991 0 50 EFAA O=C(NC[C@@H](CO)c1cccnc1)c1c(Cl)cccc1Cl 490400075 UWFBIORTRRPRRH-NSHDSACASA-N 325.195 2.894 0 50 EFAA CNC(=O)[C@H]1CCCCN1C(=O)c1[nH]c2ccc(F)cc2c1Cl 332247824 QSUHSYSQCPINBP-GFCCVEGCSA-N 337.782 2.701 0 50 EFAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccccc1COCc1ccccc1 262612626 LNBXJQFMZGAEKK-MSOLQXFVSA-N 339.391 2.740 0 50 EFAA CCN(C)CC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71747190 NKFRYUPBSRYGKF-IBGZPJMESA-N 342.439 2.700 0 50 EFAA CCO[C@@H]1C[C@@](N)(c2nc(-c3ccc4c(c3)CCO4)no2)C1(C)C 262097134 VHRPPLSWAYYBNC-RDTXWAMCSA-N 329.400 2.661 0 50 EFAA C[C@H]1CC(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2C1 71385039 UJSQCSWPAXSGLQ-VXGBXAGGSA-N 336.391 2.731 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3cc(F)c(O)c(F)c3)CCO2)c1 186875680 KVUCKAGOADHDEC-INIZCTEOSA-N 349.333 2.893 0 50 EFAA CCOC(=O)CCCN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72154214 HRNKQLAHCXFDHD-HMXCVIKNSA-N 342.483 2.892 0 50 EFAA C[C@H]1CN(CC2CCN(C(=O)c3cc(C4CC4)on3)CC2)C[C@H](C)O1 241515616 OGNGYAFILUFJDD-KBPBESRZSA-N 347.459 2.513 0 50 EFAA CO[C@H](C(=O)N1CCN(c2ccccc2C)C(=O)C1)c1ccccc1 82087307 QJOBWLNLNZPMTG-IBGZPJMESA-N 338.407 2.558 0 50 EFAA CN[C@H](C(=O)N1CC(Oc2ccccc2Cl)C1)c1ccccc1 82120955 OKIIQNRDAUYLBY-KRWDZBQOSA-N 330.815 2.890 0 50 EFAA Cc1ccnc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n1 339664429 DFLGRTJGWANJJO-UHFFFAOYSA-N 334.427 2.950 0 50 EFAA CC1(C)CC(=O)N(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 20168285 NSGNBYVODWDOBQ-UHFFFAOYSA-N 338.451 2.832 0 50 EFAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 225502398 SWYVKXCUCIQOIN-XHDPSFHLSA-N 343.395 2.561 0 50 EFAA Cc1cc(CC(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)no1 285252446 ZFDMZXOTIRDSGP-KRWDZBQOSA-N 344.411 2.611 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CCn1cccn1 82097757 OLZQSYBCSFXHMZ-MRXNPFEDSA-N 330.432 2.892 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2cnc(N)cn2)c1 426658251 BMWQEMRZKYXSPT-INIZCTEOSA-N 340.427 2.757 0 50 EFAA O=C(CC[C@@H]1CCOC1)NCC1(N2CCSCC2)CCCCC1 177353509 VSIAUWHIKMENTN-MRXNPFEDSA-N 340.533 2.671 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N(C)C3CCS(=O)(=O)CC3)cc2C1 80860058 KBPSCQWOCVYPKZ-LLVKDONJSA-N 341.498 2.522 0 50 EFAA O=C(Nc1ccc(N2CCCCC2)nc1)N1CCOCC(F)(F)C1 289649023 LFWIDFIQUAGTDM-UHFFFAOYSA-N 340.374 2.571 0 50 EFAA CSCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 426361150 CNZDNCARFLKYHX-UHFFFAOYSA-N 327.881 2.530 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)/C=C/c1cc(Br)cs1 237483505 UUPYHRUMWHKCTO-GZWSGWKISA-N 329.263 2.862 0 50 EFAA CC(C)c1nc2ccc(NC(=O)NCCN3CCCOC3=O)cc2[nH]1 426667181 ZLTWSEMXNZELAW-UHFFFAOYSA-N 345.403 2.650 0 50 EFAA COCc1n[nH]c(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)n1 96137022 ONANAYJYLAZKES-UHFFFAOYSA-N 346.431 2.886 0 50 EFAA COc1ccc(OC)c(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)c1 95353568 XTFWGKNDZRIUAD-IBGZPJMESA-N 342.439 2.931 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(c2ccc(C(F)(F)F)cn2)C1 91943350 NHHBATYMFYFCOQ-CQSZACIVSA-N 332.322 2.808 0 50 EFAA O[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1N1CCCC1 97759258 GDRLBYCENYVTKL-PMACEKPBSA-N 330.472 2.649 0 50 EFAA CCCOCC(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 91624594 UPTKEOPCICUPOA-IBGZPJMESA-N 338.492 2.690 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239377511 OBBPNWZEIUKAPI-WMHQRMGPSA-N 343.379 2.715 0 50 EFAA COc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2CC[C@@H](N)C2)cc1 97323858 UWHJJTQJJDGRME-ZWKOTPCHSA-N 339.439 2.746 0 50 EFAA O=C(N[C@H]1CN(c2nc(CO)cs2)C[C@@H]1C1CC1)C1CCCCC1 91364658 XCFAORDDWIMDCN-CVEARBPZSA-N 349.500 2.547 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1C[C@@H]1C(=O)N1CCc2ccccc21 244094506 UFQTUVHUSIYQNZ-IRXDYDNUSA-N 338.382 2.667 0 50 EFAA CO[C@H](C)CS(=O)(=O)Nc1cc(Cl)ccc1Br 296032581 SDXFWRLLORNENF-SSDOTTSWSA-N 342.642 2.879 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 299742827 KTOKIUHZWUZVRD-ADEWGFFLSA-N 327.302 2.742 0 50 EFAA O=C(NCc1cc2ccccc2[nH]1)N1CC[C@@H](N2CCCCC2)C1 264501200 RKKLIXURJYCPNX-QGZVFWFLSA-N 326.444 2.938 0 50 EFAA CCOc1ncccc1C(=O)N1CC(OCc2ccccc2C)C1 299786438 KOVDGLDHILIWDI-UHFFFAOYSA-N 326.396 2.830 0 50 EFAA O=C(NCCc1ccncc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299775768 KCOPCCUKWGDSEM-ZCNNSNEGSA-N 335.451 2.966 0 50 EFAA CCc1ocnc1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 584904151 GYUJJMNBFLMMFY-OAHLLOKOSA-N 328.416 2.589 0 50 EFAA Cc1nc(Cn2cnc3c(C)csc3c2=O)nc2c1CCCC2 584886384 NIUGHDRTPBPLDL-UHFFFAOYSA-N 326.425 2.792 0 50 EFAA Cn1cnnc1CC1CCN(c2nc(-c3ccccc3)ns2)CC1 1337267637 VFGPNDQTRNYZSF-UHFFFAOYSA-N 340.456 2.793 0 50 EFAA CCOCc1nc(-c2cn3ccsc3n2)n([C@H]2CCCC[C@@H]2O)n1 1565530844 XEKSCQOJIVHDHA-STQMWFEESA-N 347.444 2.667 0 50 EFAA Cc1cccc(CS(=O)(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 185141360 JKAMKGKPZLPKMZ-LJQANCHMSA-N 343.448 2.956 0 50 EFAA C[C@H](CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)O 268938363 QNSLBHDAVIZKND-USWWRNFRSA-N 345.317 2.868 0 50 EFAA Cc1cnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc1C 270744988 YPCQTOUEYWSFIK-QGZVFWFLSA-N 330.407 2.718 0 50 EFAA C[C@@H]1CN(Cc2noc(C3CCOCC3)n2)c2cccc(F)c2O1 185986731 RZZWDQXJIKVQSI-LLVKDONJSA-N 333.363 2.890 0 50 EFAA CCC(CC)n1ncc(C(=O)NC[C@@H](CO)Cc2cccnc2)c1C 278677318 QHMKRYXXOKTVBD-INIZCTEOSA-N 344.459 2.529 0 50 EFAA Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(=O)n1C 278850800 DGHRNBYXUYTXCG-QGZVFWFLSA-N 343.402 2.880 0 50 EFAA CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2C(C)C)cc1 170604831 FXVOZOPZQJZXKP-UHFFFAOYSA-N 332.425 2.970 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCOc3cc(OC)ccc3C2)c1 634691346 FQOSZQMNAZAZRF-SFHVURJKSA-N 343.379 2.724 0 50 EFAA CC(C)c1noc(CCCNC(=O)N2CCSCC[C@H]2C)n1 188126216 JDKXETKWIHEAJW-GFCCVEGCSA-N 326.466 2.663 0 50 EFAA O=S(=O)(CCO)c1ccc(NCc2cc(Cl)ccc2F)cc1 189677543 SWRYBMCBSOKLRL-UHFFFAOYSA-N 343.807 2.857 0 50 EFAA O=C(O)c1coc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 191665853 SMYDGMVOBCFAPX-TZMCWYRMSA-N 335.743 2.891 0 50 EFAA O=C1C[C@@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CN1 192072736 HIKDLCMHNDRZFV-MRVPVSSYSA-N 346.736 2.600 0 50 EFAA CCOC(=O)c1csc(C2CCN(C(=O)c3cc[nH]c3C)CC2)n1 192262654 IIYDIYKYTGUPMV-UHFFFAOYSA-N 347.440 2.976 0 50 EFAA Cc1cc(O)nc([C@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 192615356 QLOGYUWZTZYOHR-HOCLYGCPSA-N 335.448 2.602 0 50 EFAA O=c1cc(CO)occ1OCc1coc(-c2c(F)cccc2F)n1 194647746 KRTCESKNUNETGH-UHFFFAOYSA-N 335.262 2.644 0 50 EFAA CN(C)c1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)cc1F 653326538 FKXGTFQZPWDZSF-GOEBONIOSA-N 342.370 2.935 0 50 EFAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)CCS(C)(=O)=O 1529169010 PYFRYYDBWCQIJJ-UHFFFAOYSA-N 349.456 2.678 0 50 EFAA CC(C)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)CCC1=O 1772815665 RRUHIFAAZPEOSI-INIZCTEOSA-N 333.451 2.595 0 50 EFAA O=C(c1ccsc1)N1CCCN(Cc2ccc3c(c2)OCO3)CC1 1775979690 YAKVQDCPHZAMKR-UHFFFAOYSA-N 344.436 2.825 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)c3scc4c3CCCC4)C2)C1=O 12203544 KKMMAMLUJXMFGA-SFHVURJKSA-N 332.469 2.711 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCN(c4cnccn4)C3)C2=O)c1 12315252 NIZREOZCOHBKLJ-HXUWFJFHSA-N 336.439 2.804 0 50 EFAA CC(C)CNC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 12382285 WZDFKABKJMSZOT-UHFFFAOYSA-N 345.399 2.948 0 50 EFAA CN(C)c1ccccc1C(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 12434741 XUHGOZWOSPWEBE-QGZVFWFLSA-N 342.414 2.975 0 50 EFAA C[C@H]1CCCN(CCC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 19633234 YFXNVTJOXWYDSS-KRWDZBQOSA-N 340.471 2.953 0 50 EFAA CCCNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 2256897 WKEYPHHZDOGTOB-UHFFFAOYSA-N 335.407 2.980 0 50 EFAA NC(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 6542836 FVNLCUALWIAMPD-QGZVFWFLSA-N 340.379 2.596 0 50 EFAA CCc1noc(C)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 4749558 HEOKDJBPMHRIGM-UHFFFAOYSA-N 340.383 2.596 0 50 EFAA COc1ccc(OC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1 4384645 RPLLWTBKIKIQDT-UHFFFAOYSA-N 342.351 2.641 0 50 EFAA O=C(NCCc1ccccc1F)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 223067329 AFFJGJURKFOLPN-IIDMSEBBSA-N 343.402 2.575 0 50 EFAA CCOCc1cccc(S(=O)(=O)N=c2cc[nH]c(C)c2Cl)c1 1857530014 UQMMWVVHUYHYOU-UHFFFAOYSA-N 340.832 2.803 0 50 EFAA Cc1cc(C)c(-c2nc(C3CCOCC3)nn2[C@@H]2CCOC2)cn1 1857673414 RYYRTAIJDYCQGW-OAHLLOKOSA-N 328.416 2.812 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@H](Cc1ccccc1)C(=O)OC 1857741690 ZYGMIKNTEYHYNG-FUHIMQAGSA-N 333.428 2.578 0 50 EFAA O=C1C[C@@H](c2ccc(-c3ncccc3C(=O)N3CCCC3)cc2)CN1 1875249529 ZCPBTKQRGSLCHZ-MRXNPFEDSA-N 335.407 2.588 0 50 EFAA O=C(NC[C@H]1CCOC2(CCC2)C1)N1CC[C@@H](Oc2ccccn2)C1 333200003 QUDBQTOLEBROSC-JKSUJKDBSA-N 345.443 2.594 0 50 EFAA Cc1nnc2ccc(C(=O)N3CCC[C@H](N4[C@H](C)CC[C@H]4C)C3)cn12 248065021 WRTLSYKOHKNEAC-CPUCHLNUSA-N 341.459 2.515 0 50 EFAA Clc1ccc(CN2CCC(N[C@H]3CCc4ncnn4C3)CC2)cc1 253415530 CQMYUAKMFIZNGH-KRWDZBQOSA-N 345.878 2.501 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCOC[C@H]1N1CCCC1 952850314 XAWFRDKSHFOSHI-KURKYZTESA-N 346.471 2.522 0 50 EFAA O=C(O)c1cnc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)c2)nc1 1875282422 DCEXRSFVGYUOTR-KRWDZBQOSA-N 349.394 2.698 0 50 EFAA O=C(O)c1cn([C@H]2CCN(Cc3ccc(F)c4ccccc34)C2)nn1 1875283269 LQSMIXCXCXDMBT-ZDUSSCGKSA-N 340.358 2.716 0 50 EFAA CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)CNC4)no2)cc1 1875276742 WPVWFQUOLHWAEL-UHFFFAOYSA-N 325.412 2.730 0 50 EFAA C[C@H](NC(=O)N1C[C@H](O)C[C@H]1C1CC1)c1cccc2cccnc12 1875278380 UXWIBBBEPHWPOW-MJEQTWJJSA-N 325.412 2.851 0 50 EFAA O=C1C=C[C@H]2C=C(S(=O)(=O)Oc3ccc(Cl)cc3)C=C[C@H]2O1 1875323169 ZXHHURBYOGRSPM-IINYFYTJSA-N 338.768 2.600 0 50 EFAA Cn1ccc2c(C(=O)N3CCOc4ccccc4[C@H]3CO)cccc21 887109560 NZYLHJMTWVZNJW-GOSISDBHSA-N 336.391 2.747 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)NC[C@]12C[C@H]1COC21CCC1 890175380 QZDJDNNBXHIDEK-KBXCAEBGSA-N 345.443 2.735 0 50 EFAA O=C(NCc1cc[nH]n1)N[C@H](c1ccccc1)C1(CO)CCCCC1 1775986654 KUDJVLYJDVXORY-QGZVFWFLSA-N 342.443 2.893 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 202678 GOPDTJMAMUZZSL-RDTXWAMCSA-N 333.384 2.525 0 50 EFAA biogenic O=S(=O)(NCCCc1ccccc1)c1cccc2nsnc12 2029668 JYMWFWCISLALFR-UHFFFAOYSA-N 333.438 2.602 0 50 EFAA CN(C(=O)c1cc2scc(Br)c2[nH]1)c1cn[nH]c1 2325840592 HKZKXUMKBQCWAY-UHFFFAOYSA-N 325.191 2.992 0 50 EFAA CCN(CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)Cc1cnc(C)o1 1449393422 WGHHCHYAZJRASG-GOEBONIOSA-N 349.475 2.563 0 50 EFAA COc1ccc(O[C@H](C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 119752 KBMXKHOLXHBXHL-CYBMUJFWSA-N 339.395 2.698 0 50 EFAA O=C1C[C@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 341917 JWHOXJXPMZLCPS-ZDUSSCGKSA-N 326.318 2.870 0 50 EFAA CCCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 4270053 GMZMQBJBTUEKEN-UHFFFAOYSA-N 338.407 2.886 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1OC 4853999 AYXLLHPZGRJLRG-UHFFFAOYSA-N 345.351 2.751 0 50 EFAA C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc([S@@](C)=O)cc1 221889437 PSIAQSRTBMHKDK-VXOUBLIBSA-N 331.437 2.915 0 50 EFAA CC(C)(C)CN1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO 20907765 LMLVOUMSRFXBLR-AWEZNQCLSA-N 326.431 2.880 0 50 EFAA CC[C@@H](O)CN(Cc1ccccc1)Cc1cc(O)nc(C2CC2)n1 459375260 YRUNNBKKBBRQCP-QGZVFWFLSA-N 327.428 2.833 0 50 EFAA O=C(Nc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 10742092 RKCMIGRBBAZBDO-CQSZACIVSA-N 327.359 2.712 0 50 EFAA CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)c1 117032521 LREZYYSOHHRBNE-CRAIPNDOSA-N 349.475 2.507 0 50 EFAA Clc1ccc(-n2cc(CN3CCO[C@@H]([C@H]4CCCO4)C3)cn2)cc1 246842966 RYBVRZFVCQVRFE-QZTJIDSGSA-N 347.846 2.906 0 50 EFAA Cc1ccc(-c2nc(Cc3ccccc3)n[nH]2)cc1N1CCNC1=O 65458464 PQRBXFGXGSZERU-UHFFFAOYSA-N 333.395 2.901 0 50 EFAA CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2ccnc(C(C)C)n2)C1 67675209 DSANNHXRYPDXFJ-INIZCTEOSA-N 330.476 2.894 0 50 EFAA CCc1ccc(-n2ccc3c(cnc4nc(SC)nn43)c2=O)cc1 30875164 YRJMHHKJKFHKRB-UHFFFAOYSA-N 337.408 2.713 0 50 EFAA c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 336023 KTHPCIRABJFDML-UHFFFAOYSA-N 347.426 2.768 0 50 EFAA O=C(O)c1ccc(OC(F)(F)F)c(I)c1 34781183 HDYICWVGSFIFDM-UHFFFAOYSA-N 332.015 2.888 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)CN(C)Cc1cccnc1 215935498 JEDPFBKYFOYLOH-UHFFFAOYSA-N 336.439 2.662 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)Cc3ccc(N4CCNC4=O)cc3)C[C@@H]2C1 71771130 GOYHSZVPMOKDMB-SJORKVTESA-N 339.439 2.573 0 50 EFAA COc1ccc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)ccc2n1 229846046 PWMNOFTXADLTCZ-CVEARBPZSA-N 340.427 2.944 0 50 EFAA CSC[C@H]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 230236066 BSLCWMABMIIVID-GXFFZTMASA-N 343.290 2.660 0 50 EFAA CCCOc1cccc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1 4178953 BLCQAYLHJDIRQR-OAHLLOKOSA-N 348.296 2.896 0 50 EFAA COc1cc(C)nc(COC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 123935872 HVJIKYJWNNQKAI-UHFFFAOYSA-N 340.379 2.648 0 50 EFAA CCCCOCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71776323 ABBOMLIZZFPATB-CEWLAPEOSA-N 342.483 2.892 0 50 EFAA CCn1cc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1=O 171053245 OGDLFHPEGYHLEX-AEFFLSMTSA-N 341.411 2.910 0 50 EFAA CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC(Cc2ccccc2F)C1 364830086 IUPRIEGYRKOZFH-LJQANCHMSA-N 348.462 2.620 0 50 EFAA Cc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc(N2CCCC2)n1 219883489 YPPQABFAPKKVKX-MRXNPFEDSA-N 336.439 2.981 0 50 EFAA CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2noc(C(C)C)n2)c1C 77391328 LEQQMIAHOAQWGR-UHFFFAOYSA-N 348.403 2.587 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(c3nc[nH]n3)CC2)c1 72421280 UFAYBKICTVENLX-UHFFFAOYSA-N 342.443 2.528 0 50 EFAA CC1(CC(F)(F)F)CN(C(=O)Cc2nnc(O)c3ccccc23)C1 1364512152 KUZGRYIMHKSRBO-UHFFFAOYSA-N 339.317 2.679 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@@H](O)c2ccccc2F)C1 375172476 VTIZWWQTMOHILV-KBXCAEBGSA-N 334.391 2.755 0 50 EFAA C[C@H](NC(=O)N1CCOC[C@H]1[C@@H]1CCCO1)c1cccc(F)c1F 332815236 WOXUZPJUZFEHDJ-CQDKDKBSSA-N 340.370 2.615 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1cc(-c2ccc(F)cc2)[nH]n1 262663775 NSVKWKOEZHWCKN-UHFFFAOYSA-N 331.347 2.589 0 50 EFAA CCc1noc(CCn2ccnc2-c2cccc(-n3cccn3)c2)n1 72468651 BRRSVZHIEIKXQN-UHFFFAOYSA-N 334.383 2.924 0 50 EFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 72419256 PCGZAPYLNNDQNP-OAHLLOKOSA-N 345.443 2.765 0 50 EFAA COC(=O)c1cccc2c1CCCN2Cc1cnc(OC)nc1C 337166247 ZGDNYENBIDINPJ-UHFFFAOYSA-N 327.384 2.533 0 50 EFAA CCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C)nn2C)C(C)(C)C)o1 225494584 JKCHOERDHCJKRZ-HNNXBMFYSA-N 346.431 2.726 0 50 EFAA CCOC(=O)[C@@H](NC(=O)c1c(C)nn(C)c1C)c1cccc(C)c1C 283828310 UOFOZQVZJIWLMP-KRWDZBQOSA-N 343.427 2.688 0 50 EFAA CC(C)c1[nH]nc(C(N)=O)c1NC(=O)[C@@H]1CCCc2ccccc21 457171276 PNNZZIKHZRMGEZ-CYBMUJFWSA-N 326.400 2.691 0 50 EFAA O=C(c1cnc2ccccc2n1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 339439148 ZINGLEPATHKHPU-KBXCAEBGSA-N 337.354 2.717 0 50 EFAA CC1CCN(C(=O)c2ccccc2NC(=O)C2CCN(C)CC2)CC1 174166551 VJWPZBRPVRLGAY-UHFFFAOYSA-N 343.471 2.839 0 50 EFAA CC(C)(C)n1cc(/C=C(/Cc2ccccc2)c2nccc(=O)[nH]2)nn1 225708424 VGVYLJSBKIDSFF-QINSGFPZSA-N 335.411 2.900 0 50 EFAA COc1ccccc1N1CCC(NC(=O)C[C@H]2CCCCO2)CC1 176129259 PTFLVNIBTAFRIH-MRXNPFEDSA-N 332.444 2.739 0 50 EFAA c1nc([C@H]2CCOC2)cc(N(Cc2ccc3c(c2)OCO3)C2CC2)n1 426508101 PBVGCFZMSMFJBH-AWEZNQCLSA-N 339.395 2.878 0 50 EFAA CSc1ncccc1C(=O)N1CCC[C@H](Cn2ccnc2C)C1 82160404 GUFSIQPZTCUWAO-CQSZACIVSA-N 330.457 2.861 0 50 EFAA COc1ccc(CNC(=O)CCc2c(C)nn(C)c2C)c(F)c1F 82087650 IFCNJEDJXNLSAA-UHFFFAOYSA-N 337.370 2.573 0 50 EFAA Cc1nn(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1Cl 95372162 WRJJNLZQTOONBG-UHFFFAOYSA-N 345.790 2.554 0 50 EFAA C[C@@H](NC(=O)c1nn(C)cc1C(=O)O)c1ccc(C(C)(C)C)cc1 20614875 ZMIVFOSBSWOSFN-LLVKDONJSA-N 329.400 2.907 0 50 EFAA O=C1OC2(CCCC2)C(=O)N1Cc1nc(-c2ccccc2F)no1 289920048 UQXURJAXERQYPS-UHFFFAOYSA-N 331.303 2.667 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1(F)F 290320459 ZKTLBRGHCVSRHD-VIFPVBQESA-N 332.397 2.962 0 50 EFAA COc1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)nc1 338288922 RWGYPDHOCDOWBO-GFCCVEGCSA-N 332.400 2.967 0 50 EFAA CSc1nsc(NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)n1 161891580 VNAPGDBSGFRXQT-SECBINFHSA-N 340.430 2.767 0 50 EFAA CC[C@H](NC(=O)c1cc(C(C)=O)n[nH]1)c1ccc(OC)c(OC)c1 97742629 BRUOJBMKQHMURV-LBPRGKRZSA-N 331.372 2.511 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(CNCCO)cc1)C2 91621140 QPTDAJXIHXEFNA-KRWDZBQOSA-N 327.424 2.571 0 50 EFAA Cc1cc(NCCS(=O)(=O)CC(C)C)nc(-c2ccccc2O)n1 91906529 QLVQUJYOVMRXNH-UHFFFAOYSA-N 349.456 2.640 0 50 EFAA COc1cc(OC)c(CN(C)[C@H]2CCOC(C)(C)C2)c(C(=O)O)c1 97632058 HPFILXWMMYGNIS-LBPRGKRZSA-N 337.416 2.791 0 50 EFAA Cc1c(NC(=O)NCCCc2ccncc2)cccc1C(=O)N(C)C 97259385 DBPKWKNKPWALNK-UHFFFAOYSA-N 340.427 2.846 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 244773774 PGEVTCYHLGBXMR-AVYPCKFXSA-N 335.407 2.734 0 50 EFAA COC[C@]1(C)CCN(C(=O)C2(c3ccccc3C)CCOCC2)C1 295918763 CUTLVIFNYWHDJI-LJQANCHMSA-N 331.456 2.928 0 50 EFAA Cc1nccc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 184061938 VDAYQISNJVXMIR-UHFFFAOYSA-N 329.379 2.587 0 50 EFAA C[C@H]1CN(C(=O)NCc2sccc2Br)[C@@H](C)CO1 182525873 OORBRYSVRCFCDS-IUCAKERBSA-N 333.251 2.829 0 50 EFAA CCc1nc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)cs1 184752381 FOZLTHNUQYGTAL-INIZCTEOSA-N 333.432 2.826 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)c2cc(C)n3nc(C)cc3n2)c1C 299796581 OAGXLXIVVDVDFP-LBPRGKRZSA-N 340.431 2.670 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3cc(N)ncn3)c2)no1 299756053 AXAQUYNZDBRRKF-QGZVFWFLSA-N 349.394 3.000 0 50 EFAA CNc1nc(NCCCc2c(C)noc2C)cc([C@H]2CCOC2)n1 299768172 JWCFAKFAIUUZFS-ZDUSSCGKSA-N 331.420 2.672 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CC(OCc2ccccc2F)C1 299758065 AIFJZTIAOKFSCA-UHFFFAOYSA-N 345.418 2.536 0 50 EFAA COc1cc(OC)c(C(=O)N[C@H](c2nccn2C)C(C)C)cc1OC 299779144 SQVUQZSQBONXTL-INIZCTEOSA-N 347.415 2.573 0 50 EFAA CCn1nc(COc2ccc(C(C)(C)C)cc2)nc1CCC(=O)NC 823819733 LHRHWPZOAMAMPE-UHFFFAOYSA-N 344.459 2.853 0 50 EFAA Cc1ccc(SC2CCN(C(=O)CCS(C)(=O)=O)CC2)cc1 825181537 CJNVKOFDTPKUIH-UHFFFAOYSA-N 341.498 2.513 0 50 EFAA CCC[C@H]1C=CCN1C(=O)c1ccc(-c2cnc3nncn3c2)cc1 584884573 BTWUQHCAGJAPAA-KRWDZBQOSA-N 333.395 2.972 0 50 EFAA Fc1cccc(-n2cc(CN3CCN(c4ccncc4)CC3)cn2)c1 670443518 AKLSFWFVTMWNMY-UHFFFAOYSA-N 337.402 2.729 0 50 EFAA C[C@H]1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)C)CC12CCC2 1433302107 MNWAXEZIRATFML-AWEZNQCLSA-N 345.491 2.650 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 952970833 WTIWXZLJUTYEOV-ZDUSSCGKSA-N 348.399 2.504 0 50 EFAA CCC(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2cccc(OC)c2)nc1 952974019 HMMZBGLBSGKASJ-LBPRGKRZSA-N 343.383 2.736 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cc4ncccn4n3)cc2)n1 1454378152 XVJWIIQMURUKBI-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA O=C(Cc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 1565529464 SZWVNTXWFPPFLE-AEFFLSMTSA-N 344.430 2.618 0 50 EFAA COc1ccc(Cc2noc(-c3ccnn3C)n2)c(Cl)c1OC 273774155 FIUGEAGYSLDBTD-UHFFFAOYSA-N 334.763 2.732 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)CCO1 276162269 GCYHMEIKTWQSJM-AEFFLSMTSA-N 325.412 2.559 0 50 EFAA COC(=O)[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)c1c(C)cccc1C 170597950 IMIVTCNQOKOILQ-RDJZCZTQSA-N 343.427 2.708 0 50 EFAA O=S(=O)(CCCc1nc(-c2ccccc2)no1)c1ccccn1 191016727 RUPAGUFRBDQQRM-UHFFFAOYSA-N 329.381 2.538 0 50 EFAA O=C1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)N1 191197946 DPQNXYOSTSCNCL-CYBMUJFWSA-N 338.810 2.686 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N(CC(F)(F)F)C1CC1)CO2 194287505 DIYJCDYQNOIHCD-NSHDSACASA-N 329.318 2.800 0 50 EFAA O=C(O)c1coc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1 652512828 PKYMHHPOKOTMCU-JYJNAYRXSA-N 328.368 2.867 0 50 EFAA O=C(CCc1cccc(Cl)c1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1615948331 GWHFXBPPJKCSRY-YJBOKZPZSA-N 344.842 2.730 0 50 EFAA CC(=O)c1cc(CN2CCCN(C(=O)c3ccoc3)CC2)cs1 1506413972 MKAWHBOZKTZXPC-UHFFFAOYSA-N 332.425 2.892 0 50 EFAA CCCn1ncc(C)c1NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 1529100081 NFPPQKKCHMGSPP-AWEZNQCLSA-N 326.400 2.690 0 50 EFAA CSc1nc(N)cc(N[C@@H](C)CN2CCc3ccccc3C2)n1 1529158852 OCZUGBJLQLSYQS-LBPRGKRZSA-N 329.473 2.639 0 50 EFAA O[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1Cc1cnccn1 1529152837 ZFHVBGSUTMSUJU-IUODEOHRSA-N 338.238 2.819 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(F)cc1Cl 1704312004 JCBPVKZJGWZQGO-UHFFFAOYSA-N 338.814 2.715 0 50 EFAA CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C(C)=O)c1C 375223 BPCPBDOHJNBSSC-JTQLQIEISA-N 325.386 2.553 0 50 EFAA CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC 2059285 CUKABWNDHAKWCW-MRXNPFEDSA-N 348.399 2.627 0 50 EFAA CCOc1c(Br)cc(CNC(C)(C)CO)cc1OC 5078343 JKGXDNZLVIKKCA-UHFFFAOYSA-N 332.238 2.717 0 50 EFAA COCCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 11767550 GMSIASVVOJYAJU-OAQYLSRUSA-N 344.499 2.970 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)[C@H]1CCCO1)C2 12027577 FUGCTOBPRKNGBN-MAUKXSAKSA-N 338.407 2.656 0 50 EFAA COc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cc1OC 12303329 VWAVUHJMSVMUIP-QZTJIDSGSA-N 348.487 2.515 0 50 EFAA O=C(Nc1ccnn1C1CCN(Cc2cc[nH]n2)CC1)C1CCCC1 12446807 CAKNIERDNFWIPH-UHFFFAOYSA-N 342.447 2.572 0 50 EFAA CC(=O)NC1=NC2=NC(c3ccccc3)=C[C@@H](c3ccc(F)cc3)N2N1 13127677 RAJMFTOCXIHJQF-KRWDZBQOSA-N 349.369 2.590 0 50 EFAA O=C(NC[C@H]1CCN(C2CCCC2)C1)Nc1ccc2c(c1)OCO2 16622117 OGLLAPBNSNCTLS-CYBMUJFWSA-N 331.416 2.801 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)cc2)[C@@H]1Cc1ccccc1 19744919 BWAUQKLUMWZLFB-MRXNPFEDSA-N 328.799 2.523 0 50 EFAA Cc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)OCO4)n2)cc1 4512696 XQVDQECSKDLXNL-UHFFFAOYSA-N 337.335 2.704 0 50 EFAA COc1ccccc1NC(=O)CSc1nc(-c2ccncc2)n[nH]1 5911605 PVEXDPPPISTTFE-UHFFFAOYSA-N 341.396 2.606 0 50 EFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)CC(=O)N1 4520727 UBSJLIVECGMYLU-JSGCOSHPSA-N 349.814 2.940 0 50 EFAA Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)CCC2 5274281 MQRPIYUKINDEGT-UHFFFAOYSA-N 340.402 2.770 0 50 EFAA O=C1C[C@H](Cn2ccnc2-c2cccc(O)c2Cl)CN1C1CC1 1857702031 WWXXMQYRXCGGAL-LLVKDONJSA-N 331.803 2.920 0 50 EFAA C[C@H](Oc1cccnc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 117602658 KKCMFNQFMDUPHO-NSHDSACASA-N 347.802 2.843 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@H]1CCNC1 123162032 VMZVKRYOQHYNDK-JTQLQIEISA-N 330.862 2.503 0 50 EFAA N=C(O)[C@@]1(O)CCCN(C(=O)CCn2ccc3cc(Cl)ccc32)C1 332021601 GGQQVHKMJLTZLL-QGZVFWFLSA-N 349.818 2.574 0 50 EFAA CCO[C@@H]1C[C@H](NCc2nnc([C@@H]3CCCOC3)o2)C12CCCC2 643922259 IMQTWPQPUHXGBO-QLFBSQMISA-N 335.448 2.791 0 50 EFAA CCCC(=O)Nc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 240551455 GTXVVSIJURKPRK-MWDDYTRKSA-N 342.395 2.887 0 50 EFAA Cc1n[nH]cc1C(=O)NCCc1c[nH]c2ccc(Br)cc12 344991491 LDSLRBWYKSRZNR-UHFFFAOYSA-N 347.216 2.934 0 50 EFAA CNc1nc(C)cc(C(=O)N(CCCO)Cc2cccc(Cl)c2)n1 252481463 CMOJZESYMZBQNY-UHFFFAOYSA-N 348.834 2.505 0 50 EFAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cnnn2C)c1 252492392 MKVSSOWFVOJYEO-UHFFFAOYSA-N 335.367 2.628 0 50 EFAA Cn1cncc1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 253430204 KCBUBABMINCQHW-INIZCTEOSA-N 333.819 2.686 0 50 EFAA C[C@]1(Cn2cc(CNC(=O)c3ccccc3)nn2)CC1(Cl)Cl 900578910 AGROQHGGDJJOMA-CQSZACIVSA-N 339.226 2.792 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 903962254 MWCQFSBXGCRGBW-JFIYKMOQSA-N 333.428 2.960 0 50 EFAA O=C(O)CC1(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 903944668 OFNDRQPIJIGLOG-JTQLQIEISA-N 329.322 2.540 0 50 EFAA Cc1ccc(NC(=O)N[C@@H](c2cnn(C)c2)C(C)C)c(N(C)C)n1 930505966 XWTYVQCZZUEHBT-OAHLLOKOSA-N 330.436 2.708 0 50 EFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(F)cc2ccoc12 933022026 IEXJYBULWMBTRO-CQSZACIVSA-N 340.358 2.761 0 50 EFAA C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(C2CCOCC2)nn1C 1875285526 PZVMYTJRQHKZAC-CAYVGHNUSA-N 341.455 2.623 0 50 EFAA C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(C2CCOCC2)nn1C 1875285527 PZVMYTJRQHKZAC-QTJFZDIUSA-N 341.455 2.623 0 50 EFAA NC(=O)C1(NC(=O)c2cncc(-c3cccc(F)c3)c2)CCCCC1 1875290488 LQDZMLWUDRTZCL-UHFFFAOYSA-N 341.386 2.806 0 50 EFAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@H]1CCc2c[nH]nc21 1875305078 FZLVZJQCSIMZFJ-XIRDDKMYSA-N 325.412 2.946 0 50 EFAA O=C(C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1)N[C@@H]1CC[C@@H]2COCC[C@H]2C1 1875340976 BERZXJQNOHJGMI-RPVYPSMYSA-N 334.504 2.724 0 50 EFAA CCc1ccnc(-c2noc(-c3nc(-c4nc[nH]n4)sc3C)n2)c1 1875328651 FIUXROTUZFBBSH-UHFFFAOYSA-N 339.384 2.911 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1cccc(-c2ccccn2)c1 1875400112 QXRIFHHNCLBYTD-DUXKGJEZSA-N 348.450 2.874 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCCC(C)(C)O2)cc1 890135478 HQUOTJWUALNKPD-MRXNPFEDSA-N 330.428 2.566 0 50 EFAA C[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)C2)n1ccc(C(F)(F)F)n1 895345846 WBZWPVHVDRCEKJ-QMMMGPOBSA-N 338.289 2.596 0 50 EFAA Brc1cnn(C2(CNc3ncnc4[nH]ccc34)CC2)c1 896159952 NWXLTDZBKLBZRL-UHFFFAOYSA-N 333.193 2.518 0 50 EFAA Cn1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c2ccccc21 23373169 ZVBPUNFSBQFAJV-IBGZPJMESA-N 341.499 2.990 0 50 EFAA Clc1cnc(N2CCCC2)nc1-c1nc(=Nc2ccccc2)[nH]o1 2325736784 VQRGOWMWPQPEKX-UHFFFAOYSA-N 342.790 2.946 0 50 EFAA O=C(c1ccc(O)cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 352098 HOUUJZSFWDPLLD-BXUZGUMPSA-N 328.290 2.645 0 50 EFAA Cc1cc(Cl)ccc1NC(=O)CNS(=O)(=O)c1ccccc1 469382 KJOCARCMKUYLSC-UHFFFAOYSA-N 338.816 2.565 0 50 EFAA COc1ccc(Cl)cc1NC(=O)c1cnc2scc(C)n2c1=O 4121199 GGUROJMWWPMUIV-UHFFFAOYSA-N 349.799 2.979 0 50 EFAA COCCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 10011940 MBKPJDBONVSLRE-UHFFFAOYSA-N 340.423 2.674 0 50 EFAA CCN(CC)Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1 225390088 KLYDMOJUAXQUKI-MRXNPFEDSA-N 344.455 2.696 0 50 EFAA CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1 9064381 QRGHMPBKGFTKNJ-UHFFFAOYSA-N 327.384 2.591 0 50 EFAA COc1cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)ccc1C 112262938 YZNSIUHHJJDMKY-OAHLLOKOSA-N 342.370 2.678 0 50 EFAA O=C(CNc1cnn(-c2ccc(C(F)(F)F)cc2)c1)NCC1CC1 417055844 MMZVCCGWTLYYTI-UHFFFAOYSA-N 338.333 2.829 0 50 EFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H]2c2cnn(C)c2)c1 245852633 MUUDXXGAIRGWJA-ROUUACIJSA-N 329.444 2.614 0 50 EFAA CCC1=NO[C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1 65404374 VWXUEDZPWWDRMF-KRWDZBQOSA-N 340.427 2.703 0 50 EFAA O=C(Nc1ccc(F)c(Cl)c1)C1CCC(Cn2cnnn2)CC1 170622280 PUYISKMZHDNARU-UHFFFAOYSA-N 337.786 2.911 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1cccnc1 134644144 JJYXUJIRUJDFGC-OAHLLOKOSA-N 341.415 2.504 0 50 EFAA O=C1CCCCCCCN1[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23232410 UNNQTBXWYAWHDG-UXHICEINSA-N 342.483 2.906 0 50 EFAA NC1(C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)CCC1 67649449 PLZVANRHSOTDDH-UHFFFAOYSA-N 342.418 2.803 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCCN(Cc2ccncc2)CC1 67868770 SLBZEVPHNAONHO-UHFFFAOYSA-N 347.894 2.739 0 50 EFAA Cc1sc2nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C 433442523 JEVDNIQHUUFEJN-UHFFFAOYSA-N 348.815 2.762 0 50 EFAA Cn1cccc1CNCC1CCN(C[C@H](O)c2ccccc2)CC1 119120332 BWYVJQVWRQFGGJ-FQEVSTJZSA-N 327.472 2.560 0 50 EFAA COc1ccc([C@@H]2CCCCCN2C[C@@H](O)Cn2cccn2)cc1 229507211 ALALLQDKFKAJMA-MJGOQNOKSA-N 329.444 2.870 0 50 EFAA CCOC(=O)N1CCC(NCCc2nc3ccc(C)c(C)c3[nH]2)CC1 67562019 CCKAEQRCMKOWCZ-UHFFFAOYSA-N 344.459 2.933 0 50 EFAA COc1ccc(C(=O)N[C@H](C)c2cnc(-c3ccncc3)nc2C)o1 11763943 JHSUNIQIYJJYPW-GFCCVEGCSA-N 338.367 2.940 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H](C4CC4)C3)C2)cn1 229930310 UWHISAQCDRYTDB-BMGDILEWSA-N 330.476 2.963 0 50 EFAA Cc1csc(NC(=O)C(=O)N(C)[C@H](C)c2nc(C)sc2C)n1 67770262 JLEKFXJPWDLCRX-MRVPVSSYSA-N 338.458 2.683 0 50 EFAA CN(CCC1CCOCC1)[C@H]1CCN(c2c(F)cccc2F)C1=O 120640591 PLGDJCXTSULTKM-INIZCTEOSA-N 338.398 2.819 0 50 EFAA Cc1nn(C)cc1/C=C/C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 375270 LXIWUGBDBGNTBK-VMPITWQZSA-N 339.374 2.764 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)NCCSc1ccccc1 65364275 QXGSBAGDNZPFSW-UHFFFAOYSA-N 341.429 2.905 0 50 EFAA COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N)cc1 1406876 PUHISTDLPGNXRN-UHFFFAOYSA-N 346.437 2.799 0 50 EFAA COc1ccc2c(c1NC(=O)N(C)C[C@H]1CCCN(C)C1)CCC2 252501733 UITATPVTMIJSSC-AWEZNQCLSA-N 331.460 2.989 0 50 EFAA CC1(C)[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)[C@H]2CCO[C@H]21 252516351 SDQJVUYSLURMGK-WRQOLXDDSA-N 336.476 2.525 0 50 EFAA CCc1[nH]c2ccc(CNC(=O)[C@H]3CCN(CCOC)C3)cc2c1C 71763736 GBJWMXQCXKYGNW-INIZCTEOSA-N 343.471 2.623 0 50 EFAA Cc1nc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 77337841 OIJRTCSLKKBCHY-SFHVURJKSA-N 334.464 2.629 0 50 EFAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCCN(CC2CCCCC2)C1 72170382 RKVHQEMWYNKTOL-GOSISDBHSA-N 332.492 2.893 0 50 EFAA C[C@@](NC(=O)c1cc(-c2ccco2)on1)(C(=O)O)c1ccccc1 324607758 KXZRHJOQRZJQQS-KRWDZBQOSA-N 326.308 2.664 0 50 EFAA CCCc1ncc(C(=O)N2CCN(c3cccc(O)c3)CC2)s1 128023993 QKARXIZGHZDUSV-UHFFFAOYSA-N 331.441 2.764 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253396868 QTJKGRXYJAOWLF-QRQLOZEOSA-N 343.471 2.838 0 50 EFAA COc1ccccc1CC(=O)N1CCC(Nc2nc(C)ns2)CC1 253423107 LFMSZORFXQOABG-UHFFFAOYSA-N 346.456 2.501 0 50 EFAA CCSCc1ccccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 253430664 KOZXVUQESYUOEO-MAUKXSAKSA-N 348.512 2.732 0 50 EFAA COCC[C@@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1 253430699 XNEBFNQPMKJVSX-LBPRGKRZSA-N 335.429 2.637 0 50 EFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@@H]2CCCC[C@H]21 123490878 VIWLMBIQDSOBCZ-ZIAGYGMSSA-N 345.424 2.809 0 50 EFAA Cn1cnc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 280523676 JDXITVKFXJUVAN-JOYOIKCWSA-N 338.180 2.608 0 50 EFAA O=C(CCCc1nc(-c2cccs2)no1)N1CC[C@]2(CCOC2)C1 153776750 JRAFEHFRRCVALK-KRWDZBQOSA-N 347.440 2.760 0 50 EFAA O=C(Cc1ccccc1)N1CCC[C@H](c2nc(CC3CC3)no2)C1 363422543 IEJYIAVGVQCYRP-INIZCTEOSA-N 325.412 2.971 0 50 EFAA Cn1ncc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c1-n1cccc1 363411184 LZZMWYZBASXNRM-INIZCTEOSA-N 336.395 2.504 0 50 EFAA CCC(=O)N1CC[C@@H](NC(=O)N2CCC(c3cccc(F)c3)CC2)C1 363842512 FYFIQJLQTVVBPI-QGZVFWFLSA-N 347.434 2.726 0 50 EFAA CCOC1CC(CN[C@H](C)c2cc(C)oc2C)(N2CCOCC2)C1 364812767 OOEYFHYYDOQXOY-LSJNQWAISA-N 336.476 2.817 0 50 EFAA COc1cc(C(F)(F)F)ncc1NC(=O)N1CCOC[C@H]1C1CC1 239667965 BSJARGDIJLSCSN-NSHDSACASA-N 345.321 2.752 0 50 EFAA O[C@H](CN[C@@H](c1ccncc1)c1ncc[nH]1)c1ccccc1Cl 241590485 PFGLCHJZFNAFOV-CVEARBPZSA-N 328.803 2.871 0 50 EFAA COC[C@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2F)C1 241720767 QSACKIVMLMHYCY-LBPRGKRZSA-N 328.815 2.567 0 50 EFAA CN(CCn1c(=O)oc2ccccc21)Cc1cc(C(C)(C)C)n[nH]1 216474624 AYRKADYTKCYZAI-UHFFFAOYSA-N 328.416 2.747 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cnn3c1CCC3)C2 333785921 VIEPDYLRYDSJFZ-UHFFFAOYSA-N 341.411 2.651 0 50 EFAA Cc1cccc2[nH]cc(CC(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c12 237736072 XSTXGXVIPQSJKE-HNNXBMFYSA-N 344.411 2.501 0 50 EFAA CN(Cc1cnc(N2CCCCC2)nc1)Cc1cc(C2CC2)n[nH]1 216173398 QOGXYTNZIOMBBI-UHFFFAOYSA-N 326.448 2.699 0 50 EFAA CCn1nccc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 131680777 MMXYVDVHDAPHHL-QGZVFWFLSA-N 339.395 2.872 0 50 EFAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2csc(C3CC3)n2)C1 456664945 UYVIVLDCROXTEV-SNVBAGLBSA-N 347.406 2.977 0 50 EFAA C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(-c2cccnc2)cc1 282693976 RSEAXWSPQRAICS-VBKZILBWSA-N 337.423 2.842 0 50 EFAA Fc1ccc(OCc2nnc(S)n2C[C@@H]2CCCO2)c(F)c1 17066973 VLHDHWKYQFBODL-JTQLQIEISA-N 327.356 2.603 0 50 EFAA O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCc2ncnn2C1 131826469 SVWNSPVVSZTMIH-SECBINFHSA-N 343.284 2.573 0 50 EFAA O=C(O)c1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1 263447904 GJECMVOVLKUYMK-SFHVURJKSA-N 338.407 2.838 0 50 EFAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cnoc1-c1ccccc1 426380657 PUJBBRMQZLXTBB-OAHLLOKOSA-N 349.394 2.530 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c1F 423493538 BTZNTOHYDUOQEP-GOEBONIOSA-N 346.377 2.849 0 50 EFAA CCn1nc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1C 82138900 MTTDBEDSNOLLLD-MRXNPFEDSA-N 341.459 2.838 0 50 EFAA CC(C)n1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)n1 426647044 IYYRDJYTMBIFHT-UHFFFAOYSA-N 328.416 2.680 0 50 EFAA Cc1cc2cc(NC(=O)NCCN3CCC[C@@H](CO)C3)ccc2o1 96132045 FHPIXTOQCHQMTB-CQSZACIVSA-N 331.416 2.567 0 50 EFAA COc1ccc(C2(CNC(=O)N3CC[C@H](N(C)C)C3)CCCC2)cc1 426658546 TZTSSVOERHWHCQ-KRWDZBQOSA-N 345.487 2.853 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCN([C@@H]3CCNC3)CC2)s1 97528919 VSWAVURUKPSACU-MRXNPFEDSA-N 342.512 2.598 0 50 EFAA O=C1CCC2(CCNCC2)CN1[C@H]1CCCN(Cc2ccccc2)C1 91746374 DKMXYAVRGSCPOL-IBGZPJMESA-N 341.499 2.643 0 50 EFAA CN(Cc1ccc2nsnc2c1)[C@@H](C(=O)O)c1ccc(O)cc1 95352395 YLJDEAVRXXAUQP-OAHLLOKOSA-N 329.381 2.655 0 50 EFAA O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1ccc[nH]1 239653719 BKWZWYQDTFGTEF-NSHDSACASA-N 325.137 2.780 0 50 EFAA Cc1cnn(CCCN2CCN(c3cccc(Cl)c3)C(=O)C2)c1 91593709 QNGMOYKWLSYXSK-UHFFFAOYSA-N 332.835 2.584 0 50 EFAA CN(CCc1cnn(C)c1)C(=O)COc1ccc(Cl)cc1Cl 91587020 BCGZPCWJONXBRY-UHFFFAOYSA-N 342.226 2.807 0 50 EFAA O=C(CSc1ccccc1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244795772 RNDPWFCNMQQMPV-UWWQBHOKSA-N 342.464 2.672 0 50 EFAA Cc1c(C(=O)NCC2(N(C)C)CCOCC2)[nH]c2ccc(Cl)cc12 244678415 ICFSYCQRMUSYSZ-UHFFFAOYSA-N 349.862 2.970 0 50 EFAA COc1ccc(F)cc1[C@H](NC(=O)c1ccncc1F)[C@H]1C[C@H](O)C1 244882854 YAKYXTZWSXLHNE-ILMHXZGMSA-N 348.349 2.610 0 50 EFAA c1coc(-c2nc(CN(Cc3cocn3)Cc3cocn3)no2)c1 252500630 SZMQYTRSWVWTHQ-UHFFFAOYSA-N 327.300 2.508 0 50 EFAA COc1ccc(-c2cc(C(=O)N[C@@]3(CO)CCOC3)sc2C)cc1 182832992 FCIQTWGULOASQT-GOSISDBHSA-N 347.436 2.613 0 50 EFAA COc1ccccc1-c1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)cc1 299744546 PCWMFDIACVKDEQ-WBVHZDCISA-N 328.387 2.760 0 50 EFAA COC(=O)C[C@@H](c1ccc(O)cc1)c1oc2ccccc2c(=O)c1O 253408050 KIVKIDBFKKVFPV-AWEZNQCLSA-N 340.331 2.899 0 50 EFAA biogenic O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 252571502 YBTOWOHBOMLCMF-BHIYHBOVSA-N 349.434 2.535 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN(C)Cc2n[nH]c3c2CCC3)c1 252482280 DCFUZURRFMHOIC-UHFFFAOYSA-N 326.444 2.976 0 50 EFAA COCCN(Cc1ccc(C)s1)C(=O)NCc1cscn1 534634524 VMFQUJGEMCBRHF-UHFFFAOYSA-N 325.459 2.871 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1 299780784 CQQHNRVBBZYBRP-JTQLQIEISA-N 339.754 2.565 0 50 EFAA Cc1nc([C@H](C)NC(=O)CCn2nnc3ccccc32)c(C)s1 299762673 WFBUXMYZLXUDJI-JTQLQIEISA-N 329.429 2.772 0 50 EFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cc(C(F)F)[nH]n1 828210166 VTLYFUWJTXEZAE-JTQLQIEISA-N 340.399 2.803 0 50 EFAA COc1ccc(Cl)cc1CNS(=O)(=O)CC1(C)CCOCC1 1423655015 KMERRAZXFPBXOX-UHFFFAOYSA-N 347.864 2.585 0 50 EFAA CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1ccsc1 1365031720 KXIDQDRLVFABEC-HOTGVXAUSA-N 337.466 2.870 0 50 EFAA COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cccc2c1OCC2 1449480619 GDCXYFNYLMNNOC-HNNXBMFYSA-N 347.798 2.747 0 50 EFAA Cn1cc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 269786517 XGPHEKSQGLWGIZ-CABCVRRESA-N 325.334 2.747 0 50 EFAA COc1ccc(C)cc1NCCC(=O)N1CCCO[C@@H]2CCC[C@H]21 169988334 IBDXXPJETSMZSK-SJLPKXTDSA-N 332.444 2.976 0 50 EFAA CC(=O)OCCCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2O)c1 170609622 PDPOXIWEEBVJQY-DLBZAZTESA-N 334.416 2.607 0 50 EFAA CN(C)CCOCCN[C@@H]1CCc2c(Br)cccc21 170606794 OLRXGOZJUQSIOM-OAHLLOKOSA-N 327.266 2.604 0 50 EFAA NC(=O)CSCC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 187037820 MNOLXWBHTOHDIH-KRWDZBQOSA-N 340.448 2.676 0 50 EFAA O=C1[C@@H](S(=O)(=O)c2ccccc2)CCCN1c1ccccc1F 189175678 YTPYWVRIZKNFPG-INIZCTEOSA-N 333.384 2.795 0 50 EFAA Cn1nccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 192427155 ASKKZPNYVNYHPG-UHFFFAOYSA-N 334.807 2.589 0 50 EFAA C[C@]1(C(=O)O)CCC[C@H]1NC(=O)c1ccc(-c2ccccn2)nc1 659243780 WKDHKIGZZRKZMG-QAPCUYQASA-N 325.368 2.517 0 50 EFAA O=C(CCN[C@@H](CO)c1ccc(F)cc1F)NCC1CCCCC1 662164712 GSQITHQBEYLEMA-KRWDZBQOSA-N 340.414 2.674 0 50 EFAA CC(=O)N1CC[C@H](NC(=O)CCn2nc(C)cc2C)c2ccccc21 757629228 PCDYZZVOSVVXLM-KRWDZBQOSA-N 340.427 2.504 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 1506428611 PTYAYRJFQJFMIZ-CYBMUJFWSA-N 334.379 2.693 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(OC)c(Cl)c2)C[C@@H]1O 1704314159 QSUSUYDGIHHAOT-RDJZCZTQSA-N 341.835 2.786 0 50 EFAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(C)o1 1772707127 RBGXLTWBJWKZON-RYRKJORJSA-N 342.439 2.783 0 50 EFAA COc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)c(OC)c1 5675600 DUBLLWSLOXJTJY-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 12138866 QYPYCGAZWQTQHS-UHFFFAOYSA-N 346.427 2.985 0 50 EFAA COc1ccc(CCN2C[C@@H](NC(=O)C3CCCCC3)CC2=O)cc1 12313845 SFBJKMPFQZEJOX-KRWDZBQOSA-N 344.455 2.535 0 50 EFAA COC(=O)CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(OC)cc1 12440866 VOINJZGVMCHWPT-SFHVURJKSA-N 341.407 2.849 0 50 EFAA O=C(c1cn(CCc2ccccc2)nn1)N1CCc2ccccc2C1 12458760 AZBYCYHRZBTENJ-UHFFFAOYSA-N 332.407 2.719 0 50 EFAA CCOc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 13669836 XLBFBYVPIWCBGS-UHFFFAOYSA-N 334.397 2.709 0 50 EFAA Cc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c(C)c1 13683990 JZOPZSGLAJGSDJ-INIZCTEOSA-N 334.379 2.829 0 50 EFAA Cc1ccccc1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 15062571 RAESQBFDAQDPBT-GOSISDBHSA-N 340.398 2.594 0 50 EFAA CCN1CCC[C@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 15070807 UBQHFJQJTXHCBH-QGZVFWFLSA-N 347.507 2.662 0 50 EFAA CC(C)CCC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 15072871 DVVPGJTYJAZQFM-MRXNPFEDSA-N 325.412 3.000 0 50 EFAA COc1ccc(C[C@H]2CN(Cc3ccc4nonc4c3)CCO2)cc1 19607693 XSDWIZYHWYDCNV-KRWDZBQOSA-N 339.395 2.675 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 4858231 ZXCAMOWHEFOAAR-NSHDSACASA-N 344.864 2.553 0 50 EFAA CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 4295543 PZXZYNBIZMZIOU-UHFFFAOYSA-N 348.406 2.791 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@H]2CN(C)CCO2)cn1 1857677834 OCZWOTJFCBWFGF-KRWDZBQOSA-N 349.438 2.646 0 50 EFAA COc1cc(-c2nccn2C2CCN(c3ncccn3)CC2)ccn1 1857697446 VPAWHGDDPSBUBK-UHFFFAOYSA-N 336.399 2.585 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCCc3ccccc3)C[C@]23CC[C@H]1O3 1857728278 UWQBARNGMSTEOG-QEUVDIPISA-N 342.483 2.577 0 50 EFAA O=C(CSc1ncnc2sc3c(c12)CCC3)NC[C@H]1CCCO1 618999 GXCCSRFNIZFAJX-SNVBAGLBSA-N 349.481 2.567 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NC[C@H]2CCCOC2)c1 408519441 QUFGMSHWJRVWEA-SNVBAGLBSA-N 333.306 2.750 0 50 EFAA Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1nnnn1C)C(C)(C)C 225625836 JZOIBZQWSDTVPA-TZMCWYRMSA-N 330.436 2.666 0 50 EFAA Cc1ccc(CCC(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)o1 328609236 COAXGRNOAOSHPB-CQSZACIVSA-N 333.388 2.627 0 50 EFAA CCCN(C(=O)c1cnn2ccncc12)[C@H]1C[C@@H](OCC)C1(C)C 329657229 NBTUVEMDPQHMEO-JKSUJKDBSA-N 330.432 2.785 0 50 EFAA CNC[C@H]1CCCN(S(=O)(=O)c2c(C)sc3ccccc23)C1 237089829 RFFPEGQXZFVVOA-CYBMUJFWSA-N 338.498 2.830 0 50 EFAA CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C2CC2)CC1 128948285 QRIVIVUEZHSIOF-GOSISDBHSA-N 343.471 2.662 0 50 EFAA Cc1c(NC(=O)NCc2cccc(C(=O)O)c2)cnn1CC(C)C 669502019 PGTOCZHCUZZEJA-UHFFFAOYSA-N 330.388 2.867 0 50 EFAA C[C@@H](CO)N(C)C(=O)NCCc1c(Cl)cccc1N1CCCC1 252510315 ZGUZWMDUNDSTCD-ZDUSSCGKSA-N 339.867 2.505 0 50 EFAA CN(C)c1ncc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cn1 253417486 CHIKKXWIIYCTHU-MRXNPFEDSA-N 340.427 2.651 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)Cc2ccccc21 376518967 SZYZKUHLRDEUJM-KRWDZBQOSA-N 347.374 2.697 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)C2)c(OC)c1 263348156 UTZNEZQTVZHIAK-WWGRRREGSA-N 347.411 2.868 0 50 EFAA COC(=O)c1sccc1NC(=O)CCn1cnc2ccccc21 390757568 XXZVEZVXPKRLIJ-UHFFFAOYSA-N 329.381 2.913 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cnc(-c3ccccc3)o2)n1 930421739 TYGBHLFNKGEIDZ-WBMJQRKESA-N 340.383 2.995 0 50 EFAA O=S(=O)(CCn1cc(-c2ccccc2F)nn1)C1CCCCC1 1875282564 JQVFGPZQBJJHAE-UHFFFAOYSA-N 337.420 2.832 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCCC[C@H]2c2nc(C)no2)n1 1875257837 AXPPWZAZCFMRCD-DOMZBBRYSA-N 346.435 2.517 0 50 EFAA CN1CCN(c2cc(OC[C@@H]3C[N@@]3CC3CC3)ccc2Cl)CC1 1875383840 BKGGYHXBCIGMGA-OYHNWAKOSA-N 335.879 2.565 0 50 EFAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1CCc2c[nH]nc21 1875305077 FZLVZJQCSIMZFJ-DJIMGWMZSA-N 325.412 2.946 0 50 EFAA CC(C)(C)OC(=O)[C@@H]1N(Cc2ccc(-n3ccnc3)nc2)CC1(C)C 1875317709 AICGRDOGQJFROA-INIZCTEOSA-N 342.443 2.819 0 50 EFAA COc1ncc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)cn1 887787874 BZEUQZGGCOAXGJ-IBGZPJMESA-N 337.379 2.566 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]1c1ccc(N)nn1 888077229 VCTYEZYNSTVFNE-CQSZACIVSA-N 346.818 2.627 0 50 EFAA O=C1CCCCN1c1ccccc1NC(=O)N1CCC[C@@H]1CCO 888102419 XSPTVHHSQIBBJU-CQSZACIVSA-N 331.416 2.582 0 50 EFAA C[C@@H]([C@@H]1CCCCN1Cc1ccsc1)N1CCCS1(=O)=O 1775991123 HLPMOIOAEGYYKA-ZFWWWQNUSA-N 328.503 2.527 0 50 EFAA O=C1CCCN1CCc1nc(-c2cscc2C(F)(F)F)no1 1776005840 JKWVUWXWXAVBPC-UHFFFAOYSA-N 331.319 2.982 0 50 EFAA O=C(c1ccoc1Br)N1CCCC[C@@H]1c1nc[nH]n1 193957746 ICHLNKNKDVBAIO-SECBINFHSA-N 325.166 2.528 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)cc1 62744 YQVBFOCKVFHOFJ-INIZCTEOSA-N 328.343 2.968 0 50 EFAA CCc1nc(N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1 2325742075 KUXDLBMUCTYLDI-UHFFFAOYSA-N 348.454 2.623 0 50 EFAA O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1nnc(CC2CC2)s1 2325783282 KNGXKXBDANXZGM-LBPRGKRZSA-N 329.381 2.731 0 50 EFAA CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccn2c1CNCC2 2325795371 CBBKTFSIVYDZJM-UHFFFAOYSA-N 339.399 2.881 0 50 EFAA CC(C)Oc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cnnn2C)cc1 240333435 FDFLZIFGGIGKAX-JKSUJKDBSA-N 328.416 2.668 0 50 EFAA CCCC1=NN(C(=O)c2cccc(OC)c2)[C@@](O)(C(F)(F)F)C1 274672 NXCLHBJMPKVSGI-AWEZNQCLSA-N 330.306 2.948 0 50 EFAA O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 306610 IDTLXBAGPSPXQR-UHFFFAOYSA-N 336.457 2.534 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)[C@H](C)C2)c(F)c1 464343 CDLKKVADCGAYSB-GFCCVEGCSA-N 330.359 2.972 0 50 EFAA COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(N)=O)c23)cc1 487892 KRDNVTFSBKNJPV-UHFFFAOYSA-N 339.347 2.641 0 50 EFAA biogenic COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1OC 6411679 HBOMOQRMLGFXNB-UHFFFAOYSA-N 344.436 2.551 0 50 EFAA Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CCOC2)cc1 8611869 FCVIBFAPSAJJMC-UHFFFAOYSA-N 335.407 2.847 0 50 EFAA Cc1c(Cl)cccc1NC(=S)N1CCN(c2ncccn2)CC1 8682408 UVWSWGDBINBJJL-UHFFFAOYSA-N 347.875 2.957 0 50 EFAA Cc1[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)c1C(=O)OC(C)C 247336682 YHRJMQLRHGRDBI-APHBMKBZSA-N 348.443 2.740 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)N1CCC(Nc2ncccn2)CC1 67855808 WMUSJVMENDMDJK-UHFFFAOYSA-N 349.438 2.994 0 50 EFAA Cc1ccc([C@H]2N[C@@H](CO)[C@H]3CN(Cc4ccccc4)C[C@@H]23)c(F)c1 65397083 WFJRGIOZHHQZSG-IZZBFERCSA-N 340.442 2.888 0 50 EFAA Cc1ccc(OCc2occc2C(=O)NC[C@@H]2CCN(C)C2)cc1 67974850 LGHQQVHXRRYOGS-HNNXBMFYSA-N 328.412 2.849 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(OC)cc3)c2)C1 133186139 RZWJEFLACSHCAG-QGZVFWFLSA-N 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2.799 0 50 EFAA O=C(NC[C@H]1NCCc2ccccc21)c1c(Cl)ccc2c[nH]nc12 2325857932 VDWMOHCFGZGXGN-OAHLLOKOSA-N 340.814 2.833 0 50 EFAA C[C@H](NC(=O)c1cc2cc(N)ccc2[nH]1)[C@@H](O)c1ccc(F)cc1 2325861427 PJXQBNHIWMRQSM-DYZYQPBXSA-N 327.359 2.741 0 50 EFAA COc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1OC 118810 YCZIARBRRGJIQX-SFHVURJKSA-N 327.380 2.748 0 50 EFAA O=C1c2ccccc2C(=O)N1Cc1nc2cc(Cl)ccc2c(=O)o1 182059 PIBACOQSTTYEDM-UHFFFAOYSA-N 340.722 2.638 0 50 EFAA O=S(=O)(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2 414672 HMUAJROQIWOSPO-UHFFFAOYSA-N 342.376 2.807 0 50 EFAA COC(=O)c1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356163370 ZLKODLUTICYRPK-FQEVSTJZSA-N 342.439 2.593 0 50 EFAA COC[C@]1(C)CCN(C(=O)N[C@@H]2CCc3cc(F)c(OC)cc32)C1 458746186 BFRQAWLPFJPIIJ-CRAIPNDOSA-N 336.407 2.890 0 50 EFAA CC[C@H](C)NC(=O)c1ccc(OC)c(I)c1 10120465 MGJPOMFSUGLCSL-QMMMGPOBSA-N 333.169 2.828 0 50 EFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2C)C1 10302241 HGLHMGYIEVOZNB-LBPRGKRZSA-N 344.864 2.649 0 50 EFAA C[C@H](CCNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1ccccc1 222035519 LFLIOOPZXFLICI-BPQIPLTHSA-N 343.471 2.880 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1ccc2c(c1)OCO2 55255147 QDZFGMCDXCACJL-UHFFFAOYSA-N 345.399 2.588 0 50 EFAA COC[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 225635308 UEBZIWTXEHURHV-MSOLQXFVSA-N 328.412 2.727 0 50 EFAA CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC2)nc1 22708961 WZQWIPSXYAQFGR-UHFFFAOYSA-N 331.441 2.897 0 50 EFAA CCOc1cc(Cl)c(CNCCSc2ncn[nH]2)cc1OC 55282393 FKQRIVXICXBSTF-UHFFFAOYSA-N 342.852 2.747 0 50 EFAA COC[C@H]1CCCCN1C(=O)CCc1nnc(-c2ccsc2)o1 20452442 BDTUBTICQNGTFR-CYBMUJFWSA-N 335.429 2.758 0 50 EFAA COc1ccc(Cl)cc1CN(C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 246563311 FVMCKJBEAXXVSW-HUUCEWRRSA-N 348.830 2.689 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCN[C@H](C)Cn2nc(C)cc2C)n1 67879553 YCZLGFXXLRNFHS-GFCCVEGCSA-N 341.381 2.838 0 50 EFAA Cc1ccccc1N1CCN(C(=O)NCCCc2ccccn2)CC1 178432290 XKXFCVJQQQYCFB-UHFFFAOYSA-N 338.455 2.854 0 50 EFAA Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)C(C)C)C2)c(C)c1F 67757245 PDIXTNFWHWNIMX-HNNXBMFYSA-N 342.480 2.592 0 50 EFAA Cc1ncsc1C(=O)NCCCCn1cc(Br)cn1 279441986 OTJUCDXNAFOEOL-UHFFFAOYSA-N 343.250 2.621 0 50 EFAA Cc1ccc(Oc2ncccc2CNC(=O)[C@H](C)N2CCCC2)cn1 67457885 DKVRFAHTSFGTKN-HNNXBMFYSA-N 340.427 2.678 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@@H](CN1CCCC1)c1ccccc1 352888200 NEQFQPUSAVCVDC-IBGZPJMESA-N 348.450 2.990 0 50 EFAA CC[C@H]1CN(C(=O)c2ocnc2C)CCC(=O)N1Cc1ccccc1 71760130 SEEWUCVGQBITDI-INIZCTEOSA-N 341.411 2.636 0 50 EFAA C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[C@H]2CCCC[C@H]2C1 252443987 KKGUBIYDNMHIKI-UPJWGTAASA-N 335.473 2.686 0 50 EFAA COC(=O)c1ccc(O)c(Sc2cc(C(=O)OC)ccc2O)c1 2841629 JUPVIHIKHHWIHL-UHFFFAOYSA-N 334.349 2.822 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N(Cc1ccco1)C[C@@H]1CCCO1 230157421 DYBYQRRMVNQNHY-FJIDUMEYSA-N 348.443 2.928 0 50 EFAA Cc1ccncc1N1CCN(C(=O)c2ccnn2C2CCCC2)CC1 328832284 RLZTWFMNYVCYFQ-UHFFFAOYSA-N 339.443 2.664 0 50 EFAA O=S(=O)(CCN1CCOC[C@H]1c1ccccc1)Cc1ccccc1 328588092 SUAIVQATTDEFOK-IBGZPJMESA-N 345.464 2.675 0 50 EFAA COCC1(C(=O)N2CCC[C@@H](Cc3ccc(C(=O)O)cc3)C2)CCC1 72156778 SZUWQXHTLMDVPV-INIZCTEOSA-N 345.439 2.983 0 50 EFAA CC(C)c1nccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 328623084 IVHRPQMREGIMPC-MAUKXSAKSA-N 342.491 2.853 0 50 EFAA O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCCC(F)(F)C1 253397382 PXGWVQDLZKGWST-OAHLLOKOSA-N 344.446 2.963 0 50 EFAA O=C(c1ncc(F)cc1F)N1CC[C@H](n2ncc3ccccc32)C1 253433491 XOPJAJBCRKDPKC-ZDUSSCGKSA-N 328.322 2.797 0 50 EFAA C[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1 153105835 OOXYUJBTYXBYKI-CQSZACIVSA-N 325.412 2.859 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1 72422139 MMNIWOUBMPWTEQ-SFHVURJKSA-N 330.472 2.700 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)c(C)n1C(C)C 236705225 XIGIJXXQQOBHBJ-UHFFFAOYSA-N 336.432 2.782 0 50 EFAA COc1ccc(NC(=O)C[C@@H](C)C2CCNCC2)cc1NC(C)=O 237292567 WLYWVYKVOJDTJG-GFCCVEGCSA-N 333.432 2.618 0 50 EFAA CSCCCN1C(=O)CC[C@H]2CN(c3nccs3)CC[C@H]21 72408994 YBWQRUUWBKECNU-QWHCGFSZSA-N 325.503 2.714 0 50 EFAA CCOc1cc(CN2CCOC[C@H](O)C2)ccc1OCC=C(C)C 77458655 GCAXWJPJOSNNMB-QGZVFWFLSA-N 335.444 2.623 0 50 EFAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](CC(F)(F)F)C(=O)O 262986868 NUTLJRQTCBPUID-SNVBAGLBSA-N 342.273 2.785 0 50 EFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc5c(nc4O)CCCCC5)[C@H]1[C@H]3C2 377159109 VOZNPXZEGHDXGD-BKZBBRBJSA-N 342.439 2.552 0 50 EFAA CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cccnc3O)CCO2)n1 283036097 HZCRUSMKKIQKCI-LBPRGKRZSA-N 347.440 2.755 0 50 EFAA CCc1c(NC(=O)N2CC[C@@H](C(=O)O)C2)cnn1-c1ccccc1C 263034730 KXWAQQYRZSWKKN-CYBMUJFWSA-N 342.399 2.682 0 50 EFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 220486400 IHYKNAFIBGCLSM-HALDLXJZSA-N 334.847 2.783 0 50 EFAA O=C(Nc1cccc2c1OCC[C@H]2O)c1cc2ccccc2c(=O)o1 240912304 IXGBOKCZJNEHHN-OAHLLOKOSA-N 337.331 2.861 0 50 EFAA Cc1ccc2cc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)n(C)c2c1 426415325 KBUXTRXWXMKECN-INIZCTEOSA-N 349.438 2.676 0 50 EFAA Cc1ccc(CCCNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 426377844 BRMKZLYPKLFUKI-LJQANCHMSA-N 345.443 2.554 0 50 EFAA COc1cc(OC)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 426477443 TVBMARBOFHNCFD-ZDUSSCGKSA-N 329.400 2.554 0 50 EFAA O=S(=O)(NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 177583218 NSXWIPKWYOTHTC-UHFFFAOYSA-N 333.413 2.695 0 50 EFAA CN(Cc1nccn1C(F)F)Cc1cnnn1Cc1ccccc1 292424408 CHUSFJAKOHXSAV-UHFFFAOYSA-N 332.358 2.550 0 50 EFAA OCc1ccc(Cn2cc(-c3cccc(-n4cccn4)c3)nn2)cc1 91793108 MVJWTVLUVAMHLC-UHFFFAOYSA-N 331.379 2.671 0 50 EFAA CCc1c(C(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)ccn1C 290345048 DYNFKCPSUVUYAB-GFCCVEGCSA-N 338.415 2.567 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC(C(=O)O)CC3)c2)cc1 178179335 KJFZYPZBSJHCRO-UHFFFAOYSA-N 340.379 2.694 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1cccc(Cl)c1 426488088 ARMHGNQEGVXVQE-HNNXBMFYSA-N 337.851 2.882 0 50 EFAA Cc1cc(CC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)ccc1F 91746743 NODLPOWAGPRCBH-QRWLVFNGSA-N 349.446 2.703 0 50 EFAA COC(=O)c1ccc(OC)c(NC(=O)N(C)[C@H](C)c2ccon2)c1 95516738 ZIMNZZSIQWOFRE-SNVBAGLBSA-N 333.344 2.695 0 50 EFAA CN1CC[C@]2(CCN(C(=O)NCc3cc(-c4ccccc4)no3)C2)C1 291749039 ZNIDNUKGZNZDHX-IBGZPJMESA-N 340.427 2.579 0 50 EFAA COCCCN1CCC[C@@]2(CCN(c3ccc(Cl)cn3)C2)C1=O 95386791 TXLMWXCWHGJRTK-KRWDZBQOSA-N 337.851 2.590 0 50 EFAA Cc1noc2ncnc(N[C@H](CCn3cncn3)c3ccccc3)c12 95362645 NDBFBFNQYGXATK-CQSZACIVSA-N 335.371 2.761 0 50 EFAA CN1CCC(Cc2nc(-c3ccc(Cl)s3)n(CCO)n2)CC1 96148640 ZKLGHCINGMJTMC-UHFFFAOYSA-N 340.880 2.537 0 50 EFAA COC(=O)C[C@@H](c1c(O)ncc(C(=O)OC)c1O)C1CCCCC1 252489158 JIKCHNCMGLWWPH-LLVKDONJSA-N 337.372 2.506 0 50 EFAA biogenic Cc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 298674918 DPYIOGLARKGKSP-KBPBESRZSA-N 326.400 2.651 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccn(-c2ccccc2)n1 299747212 CJMWYKHVSXSEBX-SFHVURJKSA-N 347.374 2.524 0 50 EFAA COc1cc(C)ccc1OCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 299742801 KMUOZLLGIQRBEZ-CQSZACIVSA-N 341.363 2.597 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 299777323 NCVUVRBDGMPYDS-MRXNPFEDSA-N 341.411 2.673 0 50 EFAA CN(C)C[C@H]1COCCN(CC2=Cc3cc(Cl)ccc3OC2)C1 823690190 MPBZQCCGPUULFN-OAHLLOKOSA-N 336.863 2.626 0 50 EFAA Cn1cc(-c2cc(CN3CCO[C@H](c4cccs4)C3)on2)cn1 185024908 WLCCBKDJMHQGQU-HNNXBMFYSA-N 330.413 2.710 0 50 EFAA Cc1nc2ccc(CC(=O)NCc3cncn3CC(C)C)cc2[nH]1 670448028 BKIJMFCBIQKHSI-UHFFFAOYSA-N 325.416 2.583 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)COCc3ccccc3)cc2[nH]1 952973461 TUPUERKLPSEUOX-LBPRGKRZSA-N 325.368 2.772 0 50 EFAA CC(C)Oc1cncc(N2CCC(Oc3ccc(F)nc3)CC2)n1 302647272 AUKAXZFKHLBKIF-UHFFFAOYSA-N 332.379 2.846 0 50 EFAA COCc1nsc(N2CCN(Cc3ccccc3Cl)CC2)n1 268897593 ZJYHJQAJEIOQIO-UHFFFAOYSA-N 338.864 2.660 0 50 EFAA O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1CCC1 186083116 HIZKUTQZLARLJP-LBPRGKRZSA-N 326.318 2.727 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc3ccccc3s2)o1 275276805 FNPVHCVUDZXGMX-GFCCVEGCSA-N 329.381 2.806 0 50 EFAA CC[C@@]1(C)CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 276003389 PBNJHMNPAVLWCQ-FQEVSTJZSA-N 330.472 2.926 0 50 EFAA c1cn(-c2ccc(CSc3nnnn3C3CCOCC3)cc2)cn1 187990920 HDPAPCZNQOEPGH-UHFFFAOYSA-N 342.428 2.503 0 50 EFAA Nc1ncnc2c1cnn2Cc1csc(CCc2ccccc2)n1 170598300 OHKIXLDVTPSSEK-UHFFFAOYSA-N 336.424 2.699 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H](C)N(C)CC(F)(F)F 170614675 GEERRDUNOJAMJI-NWDGAFQWSA-N 332.366 2.712 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccccc1NC1CCN(C)CC1 188366868 JGPTYCQPIKRUQT-UHFFFAOYSA-N 341.459 2.714 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 190637614 DHISOJFHCMSCBY-KRWDZBQOSA-N 341.430 2.744 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)c2cnc(C(C)C)s2)(C(=O)O)C1(C)C 193026248 QAUUJQICNGZMGL-BZNIZROVSA-N 340.445 2.655 0 50 EFAA O=C(NCC1CCN(c2cnccn2)CC1)c1nccc2ccccc12 1149158549 ZJSCQJALTRNYPV-UHFFFAOYSA-N 347.422 2.671 0 50 EFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCCC(=O)N1 193757187 KRBOBDDSAQSVRY-NSHDSACASA-N 343.349 2.769 0 50 EFAA CN1CCN(Cc2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CC1 673735319 ZOTPMIBGZZCCLT-UHFFFAOYSA-N 349.438 2.563 0 50 EFAA CC(C)n1cc([C@]2(O)CCN(C/C=C/c3ccc(F)cc3F)C2)nn1 794021465 ZXOYYPIZTZDSMW-WHLIDYPQSA-N 348.397 2.744 0 50 EFAA CC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccsc1C(=O)O 1506417512 LIGNYXQKFAGFKA-NSHDSACASA-N 340.426 2.613 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)cc2)c1 215192057 NEHFQMVNVTYJHP-LPHOPBHVSA-N 341.407 2.603 0 50 EFAA CCCCN(CCCC)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529101887 QOZNWENHPOFDOQ-MSOLQXFVSA-N 332.444 2.672 0 50 EFAA COc1ccc([C@@H](C(=O)O)N(C)CCN2CCCCCC2)cc1F 1529145597 DENHCVDBYJYHJP-KRWDZBQOSA-N 338.423 2.768 0 50 EFAA COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 444162 BSMIEVNEDHWJQV-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA Cc1cccc(C)c1NC(=N)Nc1nc(C(F)(F)F)cc(=O)[nH]1 1214706 WDMCISSHRZROMY-UHFFFAOYSA-N 325.294 2.864 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 1772701789 OPAGWVMQAMBKLL-RDJZCZTQSA-N 338.455 2.889 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cccc(O)c2C)n1 1772707608 VRTJTMOLOOTWAI-UHFFFAOYSA-N 325.290 2.748 0 50 EFAA Cc1ccc2c(c1)cc(CN1CCN(c3ccccn3)CC1)c(=O)n2C 12217695 XDPDCIYDLCUROD-UHFFFAOYSA-N 348.450 2.564 0 50 EFAA CN1CCN(CCOCCOc2cccc(Cl)c2Cl)CC1 19792613 ZUPTVIGGUPRSNZ-UHFFFAOYSA-N 333.259 2.636 0 50 EFAA COc1cccc(C(=O)Cn2c(NCCCO)nc3ccccc32)c1 1817828 GWFMSEYHCOCBEH-UHFFFAOYSA-N 339.395 2.722 0 50 EFAA O[C@@]1(Cn2ccnc2-c2ccc(OC(F)(F)F)cc2)CCCNC1 1857676138 OSTBOGSATWJOEB-HNNXBMFYSA-N 341.333 2.563 0 50 EFAA Cc1ccc(F)c(CN2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)c1F 1875247046 JOHWAZPCKLOEJF-CRAIPNDOSA-N 339.382 2.711 0 50 EFAA CO[C@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)[C@H](C)C1 225649996 MJTORIFLEAEUPY-QAPCUYQASA-N 342.443 2.624 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1 120417457 HFQIDGHSCXPIFK-IAQYHMDHSA-N 332.787 2.631 0 50 EFAA CO[C@@H](C)c1nc(C)c(-c2nc(-c3ccc(C(N)=O)cc3)no2)s1 328593837 PZNYJPXCIBIJFW-VIFPVBQESA-N 344.396 2.975 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 237655763 UUMPXSSGSVRKQJ-MRXNPFEDSA-N 334.759 2.932 0 50 EFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N2CCCC2)on1 11814839 DMVYGSJVXIGFNF-LBPRGKRZSA-N 328.368 2.986 0 50 EFAA 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2.953 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 225704315 NNALMRKFLCNDJW-NVXWUHKLSA-N 334.460 2.827 0 50 EFAA Cn1cc([C@]2(C)CN(C(=O)N[C@H]3CCC[C@@H](C4CC4)C3)CCO2)cn1 227361644 RLHIAISBXCBXTG-AYBZRNKSSA-N 346.475 2.646 0 50 EFAA COC(=O)c1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1 245265753 HRPBXLQVYZVWKH-AEFFLSMTSA-N 344.455 2.602 0 50 EFAA O=C([C@H]1CCOC1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 20999247 IMIHUTWXXREOAP-HOTGVXAUSA-N 325.412 2.819 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ccccc2F)C1)c1cc(Cl)no1 67965931 UIACIIZLKZXWNT-LLVKDONJSA-N 337.782 2.719 0 50 EFAA Cc1nc2c(C(=O)NC[C@H]3CCN(Cc4ccco4)C3)cccc2[nH]1 67921819 HOUKIGIJRXAKRA-CQSZACIVSA-N 338.411 2.716 0 50 EFAA CC(=O)N(C)Cc1cc(C2=CCCN(Cc3c(C)noc3C)C2)no1 65381533 BUAQKERFRDNLCB-UHFFFAOYSA-N 344.415 2.547 0 50 EFAA O=C(NCCN1CCOCC1)Nc1ccccc1-c1ccccc1 20661130 QLQWKHATWUZNAK-UHFFFAOYSA-N 325.412 2.807 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12301464 KHBBDFJCNIWBGT-CQSZACIVSA-N 334.370 2.655 0 50 EFAA O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N1CCCCC1 814957 WQHNMIGDMAOPHQ-AWEZNQCLSA-N 337.217 2.955 0 50 EFAA CCOC1(C(=O)NS(=O)(=O)c2ccc(SC)cc2)CCCC1 252497567 QKHQBQUOVICQRV-UHFFFAOYSA-N 343.470 2.563 0 50 EFAA CCOC(=O)C(=O)N1CCn2c3c(c4cc(C)ccc42)CCC[C@@H]31 4709022 HBGKSJOFNUGOGV-INIZCTEOSA-N 326.396 2.732 0 50 EFAA CC(C)c1csc(CN2CCC(C(=O)O)(n3cccn3)CC2)n1 72476944 ALDDFBUKBZNVRU-UHFFFAOYSA-N 334.445 2.539 0 50 EFAA CCOCc1nc2c(c(NCCc3cccs3)n1)CCN(C)CC2 72481432 UDTKYICBMMIYRZ-UHFFFAOYSA-N 346.500 2.760 0 50 EFAA CCc1ocnc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 72435467 FMEDGRKVAXCVAT-UHFFFAOYSA-N 342.424 2.809 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2ncccc2O)CC1(C)C 77393401 YIMCOUHUYMRKIG-UHFFFAOYSA-N 341.411 2.537 0 50 EFAA COC(=O)[C@@H]1CC12CCN(C(=O)c1c(F)cccc1SC)CC2 253395684 ZQEGVXFDIBQPRQ-NSHDSACASA-N 337.416 2.963 0 50 EFAA Cc1nc2c(c(N3CCC(OCCN4CCCC4)CC3)n1)CCCC2 253426499 QXFHIEVILWWCPE-UHFFFAOYSA-N 344.503 2.745 0 50 EFAA CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC23CCOCC3)CC1 253430962 PHOUKRPYNWSEIM-INIZCTEOSA-N 343.471 2.948 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc2nccnc2c1 77541867 CKDQNMKPUQAAAC-GOSISDBHSA-N 346.434 2.759 0 50 EFAA O=C(CCCN1CCCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 77323846 YTUUIFJXLIJMNV-LJQANCHMSA-N 348.462 2.975 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 331926112 MGZDNPQHDWDERD-SJCJKPOMSA-N 347.365 2.574 0 50 EFAA Cc1c(C(=O)NCC[C@H]2CCNC2)cnn1-c1cccc(Cl)c1 262586224 ORUJHPNMILTESE-CYBMUJFWSA-N 332.835 2.564 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c2c(C(C)C)noc2n1 371308743 RLTCXOVQPBZAOI-LLVKDONJSA-N 339.399 2.665 0 50 EFAA CC[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cnn(C)c1 77485352 VXZAMFAKEDIUKV-HNNXBMFYSA-N 339.399 2.670 0 50 EFAA COc1ccc(OC2CCN(C(=O)CN(C)C3CCCC3)CC2)cc1 77516737 YYDBPKJPDZPHAE-UHFFFAOYSA-N 346.471 2.939 0 50 EFAA C[C@]1(N)CCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 262912985 FXCMMXJPOXCMAR-PXNSSMCTSA-N 338.455 2.665 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c(Cl)c1 333957059 HQYNVSOHIDCPDR-INIZCTEOSA-N 341.860 2.689 0 50 EFAA CCn1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72453530 LXVWGTQUKAZBLO-UHFFFAOYSA-N 328.504 2.989 0 50 EFAA O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1cncnc1-c1ccccc1 378480646 GMJCQXZKLTXMKD-UHFFFAOYSA-N 343.350 2.576 0 50 EFAA CC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C 240897332 ISGBMLRQLLQRPX-FZKQIMNGSA-N 332.400 2.609 0 50 EFAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H]2CCC(=O)N(C)C2)o1 241587823 OXKKVAXIHOEYPU-QEJZJMRPSA-N 333.432 2.691 0 50 EFAA Cn1nncc1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 241776745 RSCZEVQSXPAGCN-UHFFFAOYSA-N 343.290 2.576 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOc2cc(F)ccc21 173069731 MJFQRHVODMLZIB-NSHDSACASA-N 331.391 2.780 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N(C)[C@H]3CCN(C(C)C)C3)c2c1 457123610 PIKTWMZLUGQNRL-HNNXBMFYSA-N 329.444 2.660 0 50 EFAA CNC(=O)[C@H]1CN(C(=O)c2occc2C(C)C)c2ccccc2O1 283768088 AJRZRMTURIDFNJ-OAHLLOKOSA-N 328.368 2.557 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)c1 174005825 BXNDJRKOHXUVBU-HNNXBMFYSA-N 337.420 2.644 0 50 EFAA CCC[C@]1(NC(=O)c2cn(-c3ccccc3Cl)nn2)CCOC1 287969792 UDBTWMPHQXJQBR-INIZCTEOSA-N 334.807 2.610 0 50 EFAA Cc1ccc(F)cc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 92107214 OSMVWDMHHGWMGH-UHFFFAOYSA-N 348.462 2.721 0 50 EFAA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)o1 91768941 XIVPUAMMDWKPPZ-JKSUJKDBSA-N 343.427 2.816 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccncc1F 338185737 VIXKEBKOXRZNEH-VXGBXAGGSA-N 345.349 2.590 0 50 EFAA CCN(C[C@@H]1CCCO1)C(=O)c1cnc(Nc2ccccc2)nc1 97797793 JVIIRGKHODSKGB-INIZCTEOSA-N 326.400 2.861 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C/C=C/c1ccc(OC)cc1)C2 95358956 CYWGGUXCIUANKR-CZHQAMEJSA-N 330.472 2.751 0 50 EFAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nnc(C)o3)C2)o1 95531203 UIMIQLLIZWEASZ-OAHLLOKOSA-N 346.431 2.588 0 50 EFAA COc1ccccc1C1(CNC2CCS(=O)(=O)CC2)CCCC1 291090574 HSESJVIBDXOEDJ-UHFFFAOYSA-N 337.485 2.674 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1c1ccc(C)o1 91933433 BAIYPZMCVOZCJF-NVXWUHKLSA-N 334.366 2.970 0 50 EFAA O=C(NCCc1noc(-c2ccccc2)n1)[C@@H]1COc2ccccc2C1 92066676 NOVLYYHBFASJRV-INIZCTEOSA-N 349.390 2.647 0 50 EFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2nc(-c3ccc(F)cc3)cs2)C1 97259176 LXUVTVDEWABDLD-HIFRSBDPSA-N 349.431 2.538 0 50 EFAA Cc1noc(CCC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n1 182453287 MSZJFCPUPYQYSU-ZDUSSCGKSA-N 335.791 2.994 0 50 EFAA O=C(COCC(F)(F)F)NCc1ccc(OC(F)(F)F)cc1 298511902 POLNUAZNCSUVEP-UHFFFAOYSA-N 331.212 2.780 0 50 EFAA C[C@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)c1cccs1 184374692 NEYYLHHHBLTGMJ-NSHDSACASA-N 335.454 2.929 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1 299774895 IJFRETMRXLPOER-HOTGVXAUSA-N 345.468 2.648 0 50 EFAA C[C@@H]1CCCCN1CCC1CCN(c2ncnc3[nH]ncc23)CC1 301658017 IQPZVXOTATYIOP-CQSZACIVSA-N 328.464 2.834 0 50 EFAA CN(C(=O)c1cnccn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 186680428 UHDCEUHFLYDQLS-KGLIPLIRSA-N 338.194 2.514 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@H](C)[S@@](=O)[C@H](C)C1 408343210 OAEOUMOOHJEGBQ-DZTUZMMOSA-N 332.425 2.632 0 50 EFAA CCn1c(SCCN2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccco1 408524582 VXNHEJZHWKRHCE-CHWSQXEVSA-N 336.461 2.759 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(F)c1 268892923 AYHAGZAOAYSYQR-CKLFPEKLSA-N 327.302 2.962 0 50 EFAA COCCn1ccc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)n1 187776152 HPQZBSBROAIQFQ-VYDXJSESSA-N 327.428 2.936 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)NCc2ccc(F)cc2Br)CCO1 271328569 ZKNZZLSKRUVONP-SKDRFNHKSA-N 345.212 2.955 0 50 EFAA C[C@@H]1C[C@H](CCNC(=O)c2cccc(OCC(F)F)n2)CCO1 273468802 FDDOWLYFBDCSNI-VXGBXAGGSA-N 328.359 2.661 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCO[C@@H](c2cccs2)C1 189287995 DSALLEXBHOTWME-CYBMUJFWSA-N 340.408 2.747 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 189726777 ZNINRINUSHLIDB-JSGCOSHPSA-N 334.445 2.910 0 50 EFAA Cn1ccc2cccc(NC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)c21 190024864 IMZSJAOPAKZMGW-SFHVURJKSA-N 348.406 2.883 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(F)cc3cccnc23)C1 644120485 BGWLOOVNJYNMGD-HIFRSBDPSA-N 340.358 2.699 0 50 EFAA CCn1cc([C@H]2CN(C(=O)c3coc4ccccc34)CCO2)cn1 191801107 BBIWOHKXSRLBPR-QGZVFWFLSA-N 325.368 2.863 0 50 EFAA CCCOc1ccc2c(c1)CCN([C@H](C)c1nnnn1C1CC1)C2 192120685 LCLOZHWBIMQEQV-CYBMUJFWSA-N 327.432 2.916 0 50 EFAA O=C(Nc1ccncn1)N1CCC(O)(c2ccccc2Cl)CC1 194056021 LERRNLNOASKCRZ-UHFFFAOYSA-N 332.791 2.646 0 50 EFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 194599896 RFOMSWGEXLJXRY-HNNXBMFYSA-N 336.863 2.833 0 50 EFAA CCSc1ccc([C@H](C)NC(=O)NCCCc2nc[nH]n2)cc1 663993366 WIVKUCPCNAVTML-LBPRGKRZSA-N 333.461 2.910 0 50 EFAA Cc1noc2ncnc(Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)c12 195508128 IFRZTVCMURJENF-ZDUSSCGKSA-N 339.355 2.787 0 50 EFAA CC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCCCN(C)C)c1 761929487 DFQOSPZHTNILLD-UHFFFAOYSA-N 346.880 2.505 0 50 EFAA CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cnc2[nH]cncc1-2 1653834810 IZIPJEWIVWRFHB-UHFFFAOYSA-N 344.440 2.756 0 50 EFAA COCCN(CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccncc1 1506419538 RXONDEBIFIOZOL-MRXNPFEDSA-N 339.439 2.508 0 50 EFAA COc1ncc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 1506407442 OGJGPBJCTCNNLS-SFHVURJKSA-N 339.439 2.899 0 50 EFAA CC1=CC2(CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)OCC1 1704325591 QHIINGXMIZSEBU-UHFFFAOYSA-N 338.411 2.609 0 50 EFAA O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](C2(O)CC2)C1 1772808450 QVCMJZRDUYLGDO-LLVKDONJSA-N 349.374 2.631 0 50 EFAA CCSC[C@H](C)N1CCCN(C(=O)COc2ccccc2)CC1 1772807553 PASMVZQSJIZGIK-INIZCTEOSA-N 336.501 2.741 0 50 EFAA COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCO2)no1 12052406 HBVCHYNFNZAPDW-UHFFFAOYSA-N 338.747 2.693 0 50 EFAA Cc1ccc2c(C)c(C(=O)NCCN3CCC[C@@H](O)C3)oc2c1C 12373148 APXZOCUGSISNJL-OAHLLOKOSA-N 330.428 2.545 0 50 EFAA CCCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12574965 YPAGCJSHPIOGRS-UHFFFAOYSA-N 344.455 2.996 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NC[C@@H](O)c2ccccc2)cc1 13482279 DFBIICMBLVCUCO-MRXNPFEDSA-N 344.436 2.883 0 50 EFAA CN1CCC[C@H](CN(C)C(=O)c2coc(COc3ccccc3)n2)C1 14953192 PGFPCLZHLAGHRA-HNNXBMFYSA-N 343.427 2.667 0 50 EFAA COc1ccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)c(OC)n1 15066211 FZWFYANDCDYUGZ-OAHLLOKOSA-N 348.443 2.910 0 50 EFAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)C[C@H]1COCCO1 19112278 SXJNWUOBHZXVGW-ZDUSSCGKSA-N 338.354 2.775 0 50 EFAA Cc1cnnc(N2CCC(C(=O)NCCc3ccccc3)CC2)c1C 1857679005 PZYLYGYDABOGCI-UHFFFAOYSA-N 338.455 2.669 0 50 EFAA CC(=O)N1CCC(CNC(=O)NCC(C)(C)Cc2ccccc2)CC1 117408585 JCVRNYFQDKZOMN-UHFFFAOYSA-N 345.487 2.813 0 50 EFAA Cc1ccccc1C1CC(N(C(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)C1 329747109 ZDOKCNHBVXYOCU-HPUBIQBYSA-N 347.480 2.667 0 50 EFAA CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n(C)n1 635771849 PLGYTKVIKHARPK-CQSZACIVSA-N 332.835 2.645 0 50 EFAA Cc1ccc(-c2nnn(CC(=O)N[C@@H]3C[C@H]3c3ccccc3C)n2)cc1 126666851 WZOSXHVMOKYUPJ-ZWKOTPCHSA-N 347.422 2.629 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C12CCC2 332928582 NYXHGALTUCFKBA-CABCVRRESA-N 332.448 2.646 0 50 EFAA Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)nn1C(C)C 448941267 DBHFHOXPUPMZAJ-UHFFFAOYSA-N 327.388 2.768 0 50 EFAA O=C(c1c[nH]nc1-c1ccccc1)N1CCC(Cn2cccn2)CC1 131970350 JGAYCLKCWCNEGB-UHFFFAOYSA-N 335.411 2.826 0 50 EFAA COc1ccc(CCN2C(=O)O[C@H]3CN(CC=C(C)C)C[C@H]32)cc1 248294569 WEHHHIZVEXEVFV-MSOLQXFVSA-N 330.428 2.709 0 50 EFAA Nc1ccnc(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)n1 252487694 HZXSLFBDCYKGQM-UHFFFAOYSA-N 346.434 2.777 0 50 EFAA COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)c2ccc(F)cc2)cc1 262673375 XTQZZTHYWUHAFI-GVDBMIGSSA-N 343.354 2.761 0 50 EFAA C[C@H](CO)[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 266894919 VWOVMELKCQNSSI-MCIONIFRSA-N 339.867 2.625 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)Nc1nnn(C)c1C(F)F 900852475 JEJIQOBFIVFIRW-VIFPVBQESA-N 328.294 2.688 0 50 EFAA CN(C(=O)c1cc(Br)cnc1C1CC1)c1ncccn1 904939982 IQPAVGWDJIMXON-UHFFFAOYSA-N 333.189 2.788 0 50 EFAA CC[C@H](Sc1ccccc1)C(=O)N[C@]1(CC(=O)O)CCCOC1 840943656 YAPXOMWOFHVVFQ-YOEHRIQHSA-N 337.441 2.697 0 50 EFAA Cc1ccc2c(C(=O)N[C@@H]3CCS(=O)(=O)[C@@H]3C)c(C)ccc2c1 827432082 CHQZPPXLNQYQOR-CZUORRHYSA-N 331.437 2.762 0 50 EFAA CN(C(=O)OC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 857705384 ABZVRSNOXDHLQP-GJZGRUSLSA-N 333.363 2.886 0 50 EFAA CC1(C)CN(C(=O)C2(CF)CCOCC2)[C@@H]1c1nccn1CC1CC1 952890960 PCPZVEDLHZQSPN-OAHLLOKOSA-N 349.450 2.969 0 50 EFAA CC(C)Cn1nnc2c1C[C@@H](c1nc(-c3cncs3)no1)CC2 952895201 SDWOBTNNNYGGRR-JTQLQIEISA-N 330.417 2.713 0 50 EFAA O=C(NCc1ccc(C(F)(F)F)cc1)N1CC2(F)CC(CO)(C1)C2 1875309725 KUZDUSUTHZPLKK-UHFFFAOYSA-N 346.324 2.711 0 50 EFAA COC(=O)[C@@H](NCc1ccc2[nH]ccc2c1OC)c1cscn1 1875310795 CSLXOOFKWOYQSD-AWEZNQCLSA-N 331.397 2.637 0 50 EFAA O=S(=O)(Nc1cnc(C2CCC2)nc1)c1ccc2c(c1)COCC2 1875303829 PFAAMGSHXHQDSL-UHFFFAOYSA-N 345.424 2.618 0 50 EFAA COC(C)(C)c1nsc(N2CC(c3ncc(C4CC4)cn3)C2)n1 894902570 LYAYMMBNDHKYRE-UHFFFAOYSA-N 331.445 2.691 0 50 EFAA CC(C)[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1nc[nH]n1 1775998392 BIZICLQMRJROAY-HIFRSBDPSA-N 347.488 2.559 0 50 EFAA CC[C@@H](C)CCc1nc(-c2cnn(CCO)c2Br)no1 1776005806 JTJRBGXRCKFUSF-SECBINFHSA-N 343.225 2.667 0 50 EFAA COCCn1cc(NC(=O)N2CC[C@@H](C)C[C@H]2C(F)(F)F)cn1 1776006523 XBKBASSSGRJAPI-PWSUYJOCSA-N 334.342 2.724 0 50 EFAA C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2CO1 851607784 SHUICVHOBMVEFD-RDTXWAMCSA-N 339.391 2.630 0 50 EFAA O[C@@]1(c2cc[nH]n2)CCN(Cc2cc(C(F)(F)F)ccc2F)C1 2325775503 ABZSIXVKMRUCNL-AWEZNQCLSA-N 329.297 2.661 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(OC)c(C)c2C)CC[C@H]1O 2356134144 ANINMVKWJXWJHA-IEBWSBKVSA-N 335.444 2.750 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@]12CCCNC2=O 2356148861 WWBKAYFNCJRTJB-OAHLLOKOSA-N 326.318 2.590 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 2864579 MBJSMJGCCMDZCC-UHFFFAOYSA-N 326.396 2.609 0 50 EFAA biogenic CCOC(=O)Nc1sc(NS(=O)(=O)c2ccccc2)nc1C 3893896 LSYKIFSNFVNRSG-UHFFFAOYSA-N 341.414 2.821 0 50 EFAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C)c1ccccc12 4090630 QTVPMJUKTMPIAB-OAQYLSRUSA-N 345.402 2.793 0 50 EFAA biogenic CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(C)oc2C)C1 221835051 RRCSHZCOIDUIJN-HLFMIMNKSA-N 326.462 2.775 0 50 EFAA COc1cccc(N2C[C@H](C(=O)Nc3ccccc3OC)CC2=O)c1 8247540 BGRSARGOWPJROT-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA CCn1nncc1CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 459392129 LIHWQMZFFARMAA-GFCCVEGCSA-N 328.395 2.782 0 50 EFAA FC(F)(F)COc1cccc(Cn2nnnc2C2CCOCC2)c1 419055410 JMRHVPOQXQVATD-UHFFFAOYSA-N 342.321 2.557 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC[C@H](O)c1cccnc1 20543072 WWGYQUQULHEQPE-KRWDZBQOSA-N 337.423 2.880 0 50 EFAA CO[C@](C(=O)NCc1cc(C)on1)(c1ccccc1)C(F)(F)F 20654264 OLJWVCKAWZDXBC-AWEZNQCLSA-N 328.290 2.703 0 50 EFAA CN1CCC[C@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 110633354 NJAUXFJJLLIZJE-PWSUYJOCSA-N 337.474 2.804 0 50 EFAA COc1cc(-c2nccn2C2CCN(C)CC2)cc(OC)c1OC 67772218 HFBPKGMZEHQOOL-UHFFFAOYSA-N 331.416 2.843 0 50 EFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)CCN1CCCCCC1=O 67909123 JNQBXZXVAXHJRA-KRWDZBQOSA-N 343.471 2.516 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2nnc(-c3ccccc3)o2)n(C)n1 65374207 GQOBYLKUJWNSIV-UHFFFAOYSA-N 339.399 2.599 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccc(Cl)nc3)C2)cn1 67771171 RYUKSSBFSCPVNQ-OAHLLOKOSA-N 344.846 2.690 0 50 EFAA Fc1ccccc1N1CC[C@@H](c2nc(-c3n[nH]c(C4CC4)n3)no2)C1 351151556 FBTZNVJAMIOZAV-LLVKDONJSA-N 340.362 2.865 0 50 EFAA c1ccc2c(c1)C[C@H](Nc1nc(-c3ccncc3)nc3c1CNC3)CO2 72155896 HYFPLVGEBBUKKB-HNNXBMFYSA-N 345.406 2.557 0 50 EFAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)N1CCc2ccccc2C1 252517539 KZXWNHHGWQUJIN-DGGJZMOXSA-N 334.485 2.834 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CNC(=O)c1ccccc1 252506297 VYRGOKYXICKBNO-LBPRGKRZSA-N 328.334 2.606 0 50 EFAA CCc1ccccc1N(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O 5102486 FJQFPDRFDDJCNH-UHFFFAOYSA-N 346.452 2.962 0 50 EFAA Cc1c(Cl)c(C(=O)N(C)Cc2ccc3nsnc3c2)nn1C 215062286 XLBXOLPONINBJK-UHFFFAOYSA-N 335.820 2.659 0 50 EFAA C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)nn2)[C@H]2CCCC[C@H]21 229314117 WBEQYGUDLWDFTQ-YCPHGPKFSA-N 325.416 2.703 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 229548133 BXPQZKPWUHUWCC-BPQIPLTHSA-N 325.412 2.859 0 50 EFAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 31538516 JNHJGXQUDOYJAK-IYRCEVNGSA-N 348.483 2.603 0 50 EFAA endogenous,in-man CC(C)=CCN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77538191 UQOHGENMHHJZAO-FQEVSTJZSA-N 342.487 2.956 0 50 EFAA C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1n[nH]c2cc(F)ccc12 355189071 BYCMPAJNRFSWHM-NSHDSACASA-N 337.358 3.327 0 50 EFAA CC(C)c1cc(C(=O)NCC2(N3CCOCC3)CCCCCC2)no1 72119448 SSFUGNHEYNMVCH-UHFFFAOYSA-N 349.475 2.953 0 50 EFAA CC(C)(C)OC(=O)c1ccccc1NC(=O)NCCCc1nc[nH]n1 253418451 ZRVJEQUECYSZAI-UHFFFAOYSA-N 345.403 2.514 0 50 EFAA COc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2OC)nn1 128936611 VCBQMWKOHWGGPH-KRWDZBQOSA-N 339.351 2.606 0 50 EFAA Cc1ccn(-c2ccc(NC(=O)c3csc(NC4CC4)n3)cc2)n1 357288853 AHVKMJCVOAKWTI-UHFFFAOYSA-N 339.424 3.464 0 50 EFAA O[C@H](c1cc2n(n1)CCN(c1nc3ccccc3s1)C2)C1CC1 219933069 UEIDFKZIBIGMNY-INIZCTEOSA-N 326.425 2.956 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1COc2ccccc2O1 77375590 RENVCANBYFSJCC-IBGZPJMESA-N 349.390 2.671 0 50 EFAA CCc1noc(C)c1CN(Cc1scnc1C)C[C@@H]1CCNC1 261599139 AUSJAVUBONIHEM-CQSZACIVSA-N 334.489 2.922 0 50 EFAA Oc1nc(CCN2CC[C@@H](Cc3ccncc3)C2)nc2ccccc12 368487183 RHBANBCHFKPJGJ-INIZCTEOSA-N 334.423 2.838 0 50 EFAA O=C(Cn1cccn1)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1 369758228 UYHRBMXZSALHJQ-MRXNPFEDSA-N 339.374 2.776 0 50 EFAA CCc1cc([C@H](C)Nc2nc(-c3cccnc3)nc3c2CNC3)on1 72153490 COQIPTYJEIPCFM-NSHDSACASA-N 336.399 2.865 0 50 EFAA CN1Cc2ccccc2[C@H](NCc2cn(C)nc2-c2ccncc2)C1 371323013 KFWUTQRLLVCEDA-LJQANCHMSA-N 333.439 2.758 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)NCc3nnc4n3CCCC4)c2c1 77540643 XBYNZQTVXHJQRX-UHFFFAOYSA-N 335.411 2.709 0 50 EFAA CCOC(=O)c1csc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n1 450400094 FLMAMNSDHTURMI-OCCSQVGLSA-N 336.388 2.771 0 50 EFAA Cc1cccnc1CCNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 333054416 CEDKOFJLQRMWRV-IAGOWNOFSA-N 329.444 2.676 0 50 EFAA COCC1(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)CCC1 72172859 YJJPBUSIZLIOSO-LJQANCHMSA-N 342.483 2.505 0 50 EFAA Cc1ccc(OC2CCN(C(=O)[C@H]3[C@@H](N)[C@H]4CC[C@@H]3C4)CC2)cc1 82135160 RCVNTCWTYMEMTM-OHQAAIJDSA-N 328.456 2.738 0 50 EFAA O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2nccn2CC2CC2)C1 82125432 UYMOUJHERLSRNE-KRWDZBQOSA-N 339.439 2.947 0 50 EFAA COc1ccc2c(c1NC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)CCC2 241846625 SMIJBHLIWMDSRP-CQSZACIVSA-N 345.443 2.516 0 50 EFAA Cc1cc2c(cc1C(=O)N1CCC[C@@H](Cn3ccnc3)C1)OCCO2 223524234 JIZHHXOXBZRVMD-HNNXBMFYSA-N 341.411 2.515 0 50 EFAA CC1(C)Cc2cccc(CN3CCOC[C@@H]3[C@H]3CCC[C@H]3O)c2O1 284622278 LCEXQEKDQZUSOB-KZNAEPCWSA-N 331.456 2.762 0 50 EFAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc2ccccc2nc1O 284752082 VSZAPDKYZVXUKU-YTQUADARSA-N 342.439 2.956 0 50 EFAA CCc1nc(NC(=O)N2CCN(c3ccccn3)CC2)sc1C 174328066 HGOPSNGWNYWKDM-UHFFFAOYSA-N 331.445 2.763 0 50 EFAA O=c1c2ccccc2ncn1C[C@H](O)CNc1cccc(Cl)c1 43190835 AMKXALWPCTUCCS-CQSZACIVSA-N 329.787 2.523 0 50 EFAA Cc1ccc2[nH]c(CN[C@@H]3CCOC4(CCOCC4)C3)nc2c1C 82109705 LWJSOUVJVPKNEB-OAHLLOKOSA-N 329.444 2.998 0 50 EFAA CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccn(C)n3)nc21 20605657 LAPREQNUGTVMDQ-UHFFFAOYSA-N 337.355 2.812 0 50 EFAA Cc1ccc(OCCCN(C)C(=O)NC[C@H]2CCN(C)C2)c(C)c1 426535886 NWUYOUKYJROCJS-QGZVFWFLSA-N 333.476 2.665 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 238881539 AQPUENQKYIFSLE-SZMVWBNQSA-N 341.459 2.617 0 50 EFAA Cc1c(C(=O)NC2(C(=O)O)CCC2)cnn1-c1cccc(Cl)c1 237768883 GJHZUFAUOXUHNG-UHFFFAOYSA-N 333.775 2.571 0 50 EFAA CCc1nn(C)c(NC(=O)NC[C@H]2OCCc3ccccc32)c1C 95508185 HVGNAKYAYGCFSG-MRXNPFEDSA-N 328.416 2.726 0 50 EFAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc([S@](C)=O)c1 290759011 HZWYSYLYZYGVMI-QHCPKHFHSA-N 345.346 2.586 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)on1 91644575 XCJRVYVCGAOWIC-CYBMUJFWSA-N 339.399 2.945 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3[nH]ncc3c2)C1 95525169 PGUNQBDMXPXBTR-CYBMUJFWSA-N 343.431 2.675 0 50 EFAA COC(=O)C[C@H]1CCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 179759355 FKPFFZRXPFRQAE-SECBINFHSA-N 331.199 2.743 0 50 EFAA Cc1ccnc(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 294010978 IQLIKHURIKSRBP-IBGZPJMESA-N 337.423 2.760 0 50 EFAA O=C(c1cc2n(n1)CCC2)N1CCc2cccc(Br)c2C1 295960632 VCQSHMGZJIDYCY-UHFFFAOYSA-N 346.228 2.790 0 50 EFAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1coc(-c2cccs2)n1 182615440 HKHLGTXXUAUGNT-OCCSQVGLSA-N 340.470 2.849 0 50 EFAA CCOc1ccc([C@@H]2Cn3nc(-c4nc(C)no4)cc3CO2)cc1 263618845 VTZWINQTVVTVGT-INIZCTEOSA-N 326.356 2.912 0 50 EFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCCCc2c(C)noc2C)n1 299801643 ZUBYMHFGBVIBHG-CQSZACIVSA-N 348.472 2.928 0 50 EFAA O=C(NCCN1CCCC[C@H]1CO)c1ccccc1-c1ccccc1 670445213 VLCHFQLPYGBSCG-SFHVURJKSA-N 338.451 2.930 0 50 EFAA Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@@H]1CCc2cc(F)ccc21 184956153 GPWMGVVXKDNPHH-OAHLLOKOSA-N 349.383 2.798 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)N2CC(N3CCCCC3)C2)c1 952973476 LICIBFJJYMBQPQ-UHFFFAOYSA-N 329.444 2.591 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)n1 86074745 IMIWXKXDNWWZTI-MJGOQNOKSA-N 338.455 2.798 0 50 EFAA CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)C1(COC)CCC1 1462981614 JDUWZJNOSCKEMC-HNNXBMFYSA-N 339.457 2.561 0 50 EFAA C[C@]1(c2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)CCCO1 301627870 HLFONWKGWIJQID-LJQANCHMSA-N 325.412 2.766 0 50 EFAA Cc1ccc([C@@H](CNc2ncccc2S(C)(=O)=O)N2CCCC2)o1 302762972 XUPCGLPJETWTQP-CQSZACIVSA-N 349.456 2.636 0 50 EFAA CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCF 408515542 LJFWGBWWGQLTDW-SKDRFNHKSA-N 333.201 2.794 0 50 EFAA Cc1nc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)co1 408523290 IOCOWCJHCPVHSE-MRXNPFEDSA-N 328.416 2.632 0 50 EFAA CC1CCC2(CC1)OC[C@@H](CNC(=O)Cc1ccc3c[nH]nc3c1)O2 408514422 USMHUYDZZQZVTP-ZHTDJMBKSA-N 343.427 2.543 0 50 EFAA COCc1cccc(CC(=O)N(CC(C)C)C2CCN(C)CC2)c1 275216849 CTIVJIZOHPJGRQ-UHFFFAOYSA-N 332.488 2.954 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1CN1CCCC1=O 276936552 AGSHVNZJQWAOIR-ZWKOTPCHSA-N 344.455 2.630 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCCc1nc2ccccc2n1CC 277460139 HAERMYWBHHDEFM-WMLDXEAASA-N 329.444 2.920 0 50 EFAA O=S1(=O)CC[C@@H](N(Cc2sccc2Cl)C[C@H]2CCCO2)C1 278523125 CUOUDXWJZYIMCN-VXGBXAGGSA-N 349.905 2.570 0 50 EFAA C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1ccc2ccccc2c1 191543084 UPRJDURFGQOIDG-UONOGXRCSA-N 325.412 2.821 0 50 EFAA O=C(O)c1cccc2c1CN(C(=O)[C@H]1OCCc3ccccc31)CC2 649258341 QGHFEACVDPNREO-SFHVURJKSA-N 337.375 2.584 0 50 EFAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@@H]1CC[C@@H](C2CC2)N1 653110715 RFYLHGVRXGVJFX-IRXDYDNUSA-N 347.422 2.865 0 50 EFAA Cc1csc2c(=O)n(CC(=O)Nc3cc(C(C)(C)C)no3)cnc12 195415718 OOHWQCZEBKKWHX-UHFFFAOYSA-N 346.412 2.691 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)CN1C(=O)COc2ccccc21 198829892 VYCGKDVGVCFFAS-GFCCVEGCSA-N 330.409 2.693 0 50 EFAA Cc1nn(C)cc1NC(=O)CN1CCC2(CCc3ccccc32)CC1 1506400790 WZKMZCWQMFYAMX-UHFFFAOYSA-N 338.455 2.647 0 50 EFAA COc1cc(OC)nc(NC[C@H](c2cccnc2)N2CCCCC2)n1 1506415337 AUZLBUOHMGKKQO-OAHLLOKOSA-N 343.431 2.528 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)C[C@@H](C)N(C)C)cc1 1529126341 CYNZSLBTUSMTDU-GFCCVEGCSA-N 330.432 2.683 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cnc(N)s2)C[C@@H](c2ccccc2)O1 1529120558 BLLXFUBONVQNLM-KGLIPLIRSA-N 331.441 2.964 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(Cc2cnn(C)c2C)CC1 1704339883 PLIPPYVKWRYTSQ-UHFFFAOYSA-N 341.455 2.801 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(Cl)cn3C)C1)CC2 1704338099 KVLSJOUNMYDKAT-GOSISDBHSA-N 344.846 2.897 0 50 EFAA COCc1nnc(NC(=O)c2ccc(SC)cc2OC)s1 380318 CAIPCMHXEUXUTA-UHFFFAOYSA-N 325.415 2.667 0 50 EFAA O=C1CN(C(=O)CCCc2cccs2)C[C@H](Cc2ccccc2)N1 1772708131 BZWKMXYUROANFW-INIZCTEOSA-N 342.464 2.641 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775983342 KRUPOBGIHABCAJ-LJQANCHMSA-N 341.459 2.870 0 50 EFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cc[nH]n2)C1 11664804 NGIGGGBLHIBWSV-IBGZPJMESA-N 327.428 2.798 0 50 EFAA Cn1ccnc1CN1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 11819119 AEJWEMVNKHPZTJ-FQEVSTJZSA-N 344.503 2.815 0 50 EFAA O=C(c1ccco1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 13323322 ZABXCVJQPAQFKE-UHFFFAOYSA-N 336.750 2.670 0 50 EFAA CN(C(=O)Cc1cccnc1)[C@@H]1CCCN(Cc2ccccc2F)C1 15064896 DJXHBHNYGFDCOL-GOSISDBHSA-N 341.430 2.886 0 50 EFAA CCCc1noc(-c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)n1 169758387 CSAWNXYZVHWJRQ-CQSZACIVSA-N 341.371 2.561 0 50 EFAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(CC)no4)c3CO2)cc1 169758437 BSTKAUVNNMERDX-AWEZNQCLSA-N 341.371 2.561 0 50 EFAA Cc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 5815372 VKLBKCWGHWSRMT-UHFFFAOYSA-N 340.489 2.558 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(Cc1ccncc1)C[C@H]2C(=O)O 1857686381 SXXYLLSTMYTYRV-SFHVURJKSA-N 343.471 2.646 0 50 EFAA COC(=O)c1cc(N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)ncn1 1875240398 RKZZIWBULORAFK-SJORKVTESA-N 341.411 2.866 0 50 EFAA CO[C@H]1CCCC[C@@H]1NC(=O)c1sc(-c2ncccn2)nc1C 225661982 YFNDQWVCAUVSHH-RYUDHWBXSA-N 332.429 2.596 0 50 EFAA CC1(C)CN(C(=O)c2cnn(CCO)c2-c2ccccc2)[C@H]1C1CC1 330245203 XOYOYNSIDOWHNC-SFHVURJKSA-N 339.439 2.803 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 333626248 AGKADZQIWMGYIL-GFCCVEGCSA-N 343.518 2.847 0 50 EFAA O=C(c1cncc(O)c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 655126473 OWZCQGZNNRGTDB-CYBMUJFWSA-N 344.333 2.608 0 50 EFAA CCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O 337455570 JUDQZHZNABURCA-NSHDSACASA-N 340.445 2.598 0 50 EFAA COc1ccc(OC)c(CCNC(=O)C(C)(C)c2ccccn2)c1 252499918 SJAULIYGILYXMS-UHFFFAOYSA-N 328.412 2.735 0 50 EFAA CC(C)COc1ccccc1CNC(=O)C1(N2CCOCC2)CCC1 363687104 HWIOEZQQPIEQNQ-UHFFFAOYSA-N 346.471 2.593 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N3CCN(C)C[C@H]3C(C)C)c2c1 153881057 RDWFBXPRVWUGAW-SFHVURJKSA-N 329.444 2.518 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1CCCC[C@H]1c1nc[nH]n1 154535011 PBSKGQDOKPVWSO-ZDUSSCGKSA-N 334.807 2.763 0 50 EFAA CC1(C)CN(C(=O)NCc2ccc(Cl)s2)C[C@@]2(CCOC2)O1 369631017 NTSWECPLDYIFAS-OAHLLOKOSA-N 344.864 2.881 0 50 EFAA Cc1cccc([C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C(=O)O)c1C 262923577 FKWPQFNWKLEWEI-DLBZAZTESA-N 325.364 2.549 0 50 EFAA O=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1ccnn1C1CCC1 901895927 ADJIZTFYBIWPJT-UHFFFAOYSA-N 349.441 2.861 0 50 EFAA O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccc(C2CC2)cc1 910617907 PDPYZCVMBKKIEA-KOHRHEQBSA-N 329.396 2.706 0 50 EFAA C[C@H]1CN(C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)Cc2c[nH]nc21 913586228 UQNYUASEGPEJRD-XPTSAGLGSA-N 339.317 2.608 0 50 EFAA C[C@H](NCCc1nnn(C(C)(C)C)n1)c1cc(Cl)cc2c1OCC2 933270318 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CC(C)c1csc(CNC(=O)Cc2ccn(CC(F)(F)F)n2)n1 896720829 PFDANWUYBMTHAE-UHFFFAOYSA-N 346.378 2.884 0 50 EFAA O=S(=O)(O)c1nc2ccccc2n1CCOc1ccccc1F 4622843 HVMZGWDRTMOSTB-UHFFFAOYSA-N 336.344 2.501 0 50 EFAA CC(C)(C)[C@@H]1CCN(Cc2cnnn2-c2ccccc2)[C@H](C(=O)O)C1 2325777271 QQEHOOZKWVJPDA-PBHICJAKSA-N 342.443 2.979 0 50 EFAA C[C@H](CCCC(=O)N1C[C@@H]2CN(C)CC[C@]2(CO)C1)c1ccccc1 2325816016 CSBVNWIJUKPFAQ-SLYNCCJLSA-N 344.499 2.733 0 50 EFAA Fc1ccc(Cn2nc(C3CC3)nc2-c2nn[nH]c2Cl)cc1F 2325876021 IODGCPHELMDQMQ-UHFFFAOYSA-N 336.733 2.921 0 50 EFAA CC(=O)NC1CCC(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 133707947 PYAOTRVATXGGQH-PCHAPFSGSA-N 338.398 2.832 0 50 EFAA COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1 307786 GUZWLBYHTVETFN-UHFFFAOYSA-N 335.315 2.911 0 50 EFAA CCCOc1ccc(CN2CCC[C@]23CCCN(C)C3=O)cc1CO 2356137712 WOFBNYOJVBJUAY-FQEVSTJZSA-N 346.471 2.555 0 50 EFAA COc1ccc(-c2onc(N3CCC(N(C)C)CC3)c2C(=O)O)cc1 2356141647 KCODUFZFWSKBME-UHFFFAOYSA-N 345.399 2.579 0 50 EFAA COc1cc2c(cc1CN(C)[C@H]1C[C@H]3CC(=O)N(C)C[C@H]3C1)CCC2 2356169250 XSQUIANGLYCXTC-SCTDSRPQSA-N 342.483 2.873 0 50 EFAA O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 4487355 NFUXPYUQXRSCNV-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA O=C(NC[C@@H]1CCC[C@H]1O)N[C@@H]1CC2(CCC2)Oc2ccccc21 221860957 DFWIFSKWVWKXOL-NUEKZKHPSA-N 330.428 2.893 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@@H]1C 225446522 XLRILPPSDCKFGB-XYJFISCASA-N 330.472 2.980 0 50 EFAA CC(C)(C)Sc1cc(CNC(=O)c2cnn3ccncc23)ccn1 225424130 OJRXBQUIJQIQCX-UHFFFAOYSA-N 341.440 2.945 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225539596 LJKUAFIINXVRRM-DYVFJYSZSA-N 325.343 2.650 0 50 EFAA COc1ccc(N2C[C@H](C(=O)NCc3ccc(F)cc3)CC2=O)cc1 9236900 KDSFVDGHWGEPMR-CQSZACIVSA-N 342.370 2.504 0 50 EFAA CCCc1occc1C(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F 347937482 AJQOCXDJWVVJES-BXUZGUMPSA-N 346.349 2.904 0 50 EFAA CC(C)Oc1cccc(OCCOCCN2C[C@H](C)O[C@@H](C)C2)c1 20653136 LFFLXJAPNPNCPX-IRXDYDNUSA-N 337.460 2.978 0 50 EFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 115637741 IVGUOVGEKUAQQD-HIFRSBDPSA-N 333.391 2.941 0 50 EFAA COc1ccnc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1 172225781 INLQRLOEJAAFMT-UHFFFAOYSA-N 339.439 2.527 0 50 EFAA O=C(c1cc2cc(F)ccc2o1)N1CCC(N2CCCC2=O)CC1 117792174 LFEMADFEBFDGQH-UHFFFAOYSA-N 330.359 2.799 0 50 EFAA OCc1csc(N2CCC[C@@](CO)(CCc3ccccc3)C2)n1 67789023 SDUGMJJWULAIIW-GOSISDBHSA-N 332.469 2.847 0 50 EFAA CCOc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cn1 134106822 HZNBPHMOPZAWPL-ZDUSSCGKSA-N 347.365 2.767 0 50 EFAA O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC[C@H](c2cnccn2)C1 1364114409 DTMNQANYXBQPHF-XYYIANASSA-N 349.843 2.920 0 50 EFAA COC(=O)[C@@H](NCCC(=O)Nc1ccccc1C)c1ccccc1 65428423 XRMHYEVZYKZSLH-SFHVURJKSA-N 326.396 2.828 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)c1cccc(F)c1 229558245 CVNDFBKYTXSOGF-RCCFBDPRSA-N 334.435 2.725 0 50 EFAA COc1cccc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)c1 252488478 ISTVYDSHRCHFHZ-UHFFFAOYSA-N 343.408 2.654 0 50 EFAA O=C1CC[C@H]2CN(C3CCOCC3)CC[C@H]2N1CCc1ccccc1 72474026 BUMMRVVOXPGZCP-AZUAARDMSA-N 342.483 2.721 0 50 EFAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(C(=O)c2ccco2)CC1 72476551 SDKLXDLZGVQNAE-UHFFFAOYSA-N 347.342 2.866 0 50 EFAA O=C(NCCCNCc1cccnc1)[C@@H]1SCCc2sccc21 120896896 VBLDGKRNPZPCBJ-MRXNPFEDSA-N 347.509 2.770 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)c1n[nH]c(=S)n1C[C@@H]1CCCO1 6007607 DEQBAKNAIBEMMM-JQWIXIFHSA-N 349.412 2.988 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cn1 12455565 ZZUFWTHXERZRAX-KRWDZBQOSA-N 327.403 2.924 0 50 EFAA CCOCC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71759568 BWYLPSCDTLBNNT-SFHVURJKSA-N 329.396 2.785 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cccnc3)CC2)OC1=O 77538598 HWIVALXZGFBGCZ-CQSZACIVSA-N 331.416 2.697 0 50 EFAA CN1CCN(CC2(C)CCN(CCCc3ccccc3)CC2)CC1 363796603 RYEWIPBHVVCFHT-UHFFFAOYSA-N 329.532 2.969 0 50 EFAA CCc1nccc(CN(C)CC2(N3CCOCC3)CCCCC2)n1 216002625 VTBAAIYOQGCESE-UHFFFAOYSA-N 332.492 2.506 0 50 EFAA Cc1sc(=O)n(CC(=O)NC[C@H]2[C@H]3c4ccccc4CC[C@H]32)c1C 155400124 QRADERJMKVHLSU-JZXOWHBKSA-N 342.464 2.619 0 50 EFAA CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@]2(CCCOC2)C1 368503748 MYQDUMBPJPBLGN-IBGZPJMESA-N 334.435 2.677 0 50 EFAA O=C(O)COc1ccc(NC(=O)[C@H]2CCCCO2)c2ccccc12 261914955 HSQDAHCMCYHMDY-MRXNPFEDSA-N 329.352 2.811 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)c(C)c1 333298394 PRMDKXNUZBCIEG-UYAOXDASSA-N 344.499 2.899 0 50 EFAA O[C@H](CN1CC[C@@H](c2nc(C3CC3)no2)C1)c1c(F)cccc1F 375474548 ZVNYYTXBTLJUJV-BXUZGUMPSA-N 335.354 2.748 0 50 EFAA CNc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 333486033 QCAJRKRFOJNIBK-CQSZACIVSA-N 349.862 2.999 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@H](C(=O)O)C2)cc1 262369235 ALUJYPDHJQRNMM-ULQDDVLXSA-N 331.412 2.786 0 50 EFAA O=C(O)[C@@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1 262612304 BZVPXPZDVCXKGO-AWEZNQCLSA-N 336.388 2.910 0 50 EFAA CNc1nc(N[C@H]2CCCN(CCc3ccccc3)C2)ncc1F 72427100 BLARJYTUTWYDDH-HNNXBMFYSA-N 329.423 2.776 0 50 EFAA Cc1cc(O)nc(N2CCC[C@H](NC(=O)O[C@@H](C)CC(C)C)C2)n1 1364959673 HHHCQLZORRTFAZ-KBPBESRZSA-N 336.436 2.620 0 50 EFAA COC[C@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)C1 496043218 OFDNNSYZVRWOLT-ZFWWWQNUSA-N 340.464 2.565 0 50 EFAA CC(C)CC(=O)N1CCCC[C@H](NC(=O)CCc2cccnc2)C1 82125365 WICOVLAQWTYLGT-KRWDZBQOSA-N 331.460 2.558 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)C1(c2ccccc2F)CC1 223008792 QOAHFHLJBCLGIE-QZTJIDSGSA-N 347.430 2.948 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cnc2ccccc2n1 82121677 KRCLTHQMHJWMHY-UHFFFAOYSA-N 337.427 2.571 0 50 EFAA CO[C@@H](C)c1nc(C)c(C(=O)N2CC(=O)Nc3ccccc32)s1 175435602 ODLZUIMBRQBLGZ-JTQLQIEISA-N 331.397 2.758 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)NCCCCN1CCCCCC1 426728265 KQHHUHZEOQBDNY-LJQANCHMSA-N 347.503 2.984 0 50 EFAA NCCCOc1cc(Cl)ccc1C(=O)N1CC(c2cccnc2)C1 426593888 WJCCYWYRELDGNB-UHFFFAOYSA-N 345.830 2.702 0 50 EFAA O=C(NC[C@@H]1COc2ccccc2C1)c1cc(-c2ccc(O)cc2)n[nH]1 97698718 BBURLLLERRAQJR-CYBMUJFWSA-N 349.390 2.763 0 50 EFAA CCc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95509635 VRTSVSKQKFTJMD-GOSISDBHSA-N 344.455 2.709 0 50 EFAA CCCCOc1c(Cl)cc(C(=O)N2CC[C@H](CN)C2)cc1OC 178576411 GMDBUKMWFMRHAA-GFCCVEGCSA-N 340.851 2.948 0 50 EFAA Cc1nc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c[nH]1 291227720 OWWRFNFKJQTWIY-KRWDZBQOSA-N 326.444 2.750 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)O)cc1 239412469 SSSXWDFMWCJDPQ-YHPRMOQLSA-N 325.364 2.597 0 50 EFAA Cc1cnccc1N1CCCN(c2nccc(C(F)(F)F)n2)CC1 91624837 FZVWWKNKMZRGHK-UHFFFAOYSA-N 337.349 2.916 0 50 EFAA O=C(NCCCNc1cccnc1)c1ccc(-c2ccccc2)[nH]c1=O 91548634 UZLRVSMPFJCFPM-UHFFFAOYSA-N 348.406 2.669 0 50 EFAA COc1cccc2c1OC[C@H](Cc1cc(C)ccc1OCC(N)=O)C2 95498334 ANUPECMPHQSOSC-AWEZNQCLSA-N 341.407 2.662 0 50 EFAA COc1ccc(CN2C(=O)NC3(CCSCC3)C2=O)cc1Cl 179272177 UDBQEOXQFIWRGI-UHFFFAOYSA-N 340.832 2.666 0 50 EFAA CCCCn1ccnc1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 91492909 MRUOLJWWSFWONV-QGZVFWFLSA-N 348.491 2.550 0 50 EFAA O=C(NCc1nccs1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 91416691 GJFAQXGJSXIAMH-ZDUSSCGKSA-N 335.473 2.721 0 50 EFAA CN1CCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO 97468482 QHZPOOHHFCSDJM-OAQYLSRUSA-N 349.478 2.798 0 50 EFAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H]5[C@H]6C=C[C@@H](C6)[C@H]54)[C@H]3C2=O)cc1 245309417 CRFOHZZPZMLIKU-ZPRVSREJSA-N 349.386 2.578 0 50 EFAA Cc1ccc2nccc(C(=O)NCCCN3CCCC[C@@H]3CO)c2c1 244742059 OBFRIKSFPKRPAI-MRXNPFEDSA-N 341.455 2.510 0 50 EFAA COC(=O)c1coc(C(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1 183722736 OBFOSYRGBWGFHO-ZBEGNZNMSA-N 347.342 2.808 0 50 EFAA O=C(N[C@@H]1COc2ccc(F)cc2C1)c1coc2c1C(=O)CCC2 295940535 GLJGNMYJUNSHLZ-LBPRGKRZSA-N 329.327 2.671 0 50 EFAA O=C(c1cccc(C(F)F)c1)N1CCC(c2ccnn2CCO)CC1 181933814 APQRLVXVSSVTLZ-UHFFFAOYSA-N 349.381 2.833 0 50 EFAA CCCN(C(=O)[C@H](C)OCC)C1CCN(C(=O)c2ccccc2)CC1 299602212 CVNZXGWIFUBQIR-INIZCTEOSA-N 346.471 2.955 0 50 EFAA COc1cccc(-c2cc(CNC(=O)C[C@H](C)n3cccn3)no2)c1 534666262 HUFDLGJEXALZFG-ZDUSSCGKSA-N 340.383 2.814 0 50 EFAA COC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299782842 WGUQDBDFKYPINB-OTWHNJEPSA-N 328.456 2.849 0 50 EFAA O=C(N=c1[nH][nH]c2c(F)cccc12)[C@H]1CCCN(Cc2ccco2)C1 1940197400 NTIPTSFNFMXBAU-LBPRGKRZSA-N 342.374 2.568 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 299798486 RYXNSJRTVYAECV-GOSISDBHSA-N 340.471 2.597 0 50 EFAA Cc1cc(CC(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)on1 299798640 RLQRXXZNVXMPDD-UHFFFAOYSA-N 349.381 2.585 0 50 EFAA CN(CC(=O)NCc1ccc2c(c1)CC(C)(C)O2)Cc1ccccn1 299758359 LZDFFSNOWQEGMI-UHFFFAOYSA-N 339.439 2.543 0 50 EFAA COc1ccc(CC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)cc1 299754412 KQAXLJWXKSXUCN-HKUYNNGSSA-N 330.472 2.961 0 50 EFAA biogenic Cc1ccc2nc(CNC(=O)c3ccc(CN4CCCC4)o3)[nH]c2c1 825206848 GKXADSGATSAMJK-UHFFFAOYSA-N 338.411 2.990 0 50 EFAA Cc1cnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)nc1C 685940642 QKGGPXJCHPUWGJ-KSSFIOAISA-N 325.416 2.912 0 50 EFAA C[C@H](NC[C@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 685940647 QPHPNOIAWWIUJD-LRDDRELGSA-N 340.489 2.991 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCCCC1)c1ccncc1 976157915 PMDNLMBAVMFKCX-IAGOWNOFSA-N 329.444 2.819 0 50 EFAA O=C(NCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)c1nccs1 1412202987 VQGBCLJFJVALQL-UHFFFAOYSA-N 348.277 2.873 0 50 EFAA COc1nscc1CN(C)c1ncnc2c1cnn2C(C)(C)C 1338114856 HGJAUOQGKLQUHF-UHFFFAOYSA-N 332.433 2.683 0 50 EFAA Cc1c[nH]ccc1=NCCNCc1cnc(-c2cccs2)nc1 952975795 GOLXJRYRWHYPMA-UHFFFAOYSA-N 325.441 2.532 0 50 EFAA Cc1ccccc1NC1(CNC(=O)C[C@@H]2COC(=O)C2)CCCC1 408521932 AMZIQGFKWCJGGG-HNNXBMFYSA-N 330.428 2.789 0 50 EFAA Nc1cccc(CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 408524426 UKLLDUPXRIGVMQ-SFHVURJKSA-N 338.455 2.917 0 50 EFAA CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NC[C@@H]1CCCOC1 408519336 AVHNBYKZDYIUBK-KBPBESRZSA-N 328.453 2.565 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)CC1=CCCCC1 275778136 SRVCAXZNRAIUHT-HOTGVXAUSA-N 332.423 2.742 0 50 EFAA CCC(CC)[C@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C 170675552 XOYRZVZDAKTTOD-CVEARBPZSA-N 327.513 2.952 0 50 EFAA Cc1nc(O)c2c(n1)CN(C(=O)C[C@@H](c1ccc(O)cc1)C1CC1)C2 636293785 FGRVHFJDWNACFM-OAHLLOKOSA-N 339.395 2.622 0 50 EFAA O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1COCCN1CC1CCC1 188205650 PGPDKERZKHEKJN-HNNXBMFYSA-N 326.799 2.919 0 50 EFAA O[C@@H](COCc1ccco1)CN1CC2(CCOCC2)c2ccccc21 192283733 IIGWETDCHVDXNT-MRXNPFEDSA-N 343.423 2.726 0 50 EFAA COc1ccccc1-n1ncc(C(=O)N[C@@H]2CCOC(C)(C)C2)c1C 194827999 POPXRXRSPIHYIZ-CQSZACIVSA-N 343.427 2.877 0 50 EFAA CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O 618580 QRGCPFMYXJEQPQ-UHFFFAOYSA-N 326.352 2.604 0 50 EFAA Cc1nn2c(NC(=O)CCCc3ccc(F)cc3)csc2nc1=O 1529186281 BEMZMEVNDXXHQR-UHFFFAOYSA-N 346.387 2.560 0 50 EFAA COC(=O)c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1 2117379 VEGVSKPMZXENTP-UHFFFAOYSA-N 326.757 2.894 0 50 EFAA COc1ccc(CN2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)cc1C 11967043 RDGMPKZOYZZHNQ-SFHVURJKSA-N 346.471 2.653 0 50 EFAA CCOc1ccccc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 13715313 XGSFGPULFPWOQV-UHFFFAOYSA-N 326.396 2.968 0 50 EFAA COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1 13890091 VNRNJNRVACIMAP-SFHVURJKSA-N 329.440 2.782 0 50 EFAA CCc1ccccc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15936704 XVJJPDBICOLMQJ-HZPDHXFCSA-N 340.423 2.919 0 50 EFAA CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1cccc(Cl)c1 4986203 ARYKADJXPRGOHH-UHFFFAOYSA-N 344.864 2.509 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5329431 ATCICMDLADZIQF-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2ccc(Cl)cc2C)n1 1857673476 JLWMUDLPIQGCPF-GFCCVEGCSA-N 328.807 2.859 0 50 EFAA CC(C)(C)c1ccc2cc(C(=O)N3CCC(O)(C(=N)O)CC3)[nH]c2c1 332242075 PPANMKKAZRVAHE-UHFFFAOYSA-N 343.427 2.968 0 50 EFAA CN1C[C@H](NC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1=O 333066630 FSCXMFLHGSNJJN-VHDGCEQUSA-N 335.835 2.506 0 50 EFAA O=C(O)Cc1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21 238077606 VTIPYYWVSVGNIS-KRWDZBQOSA-N 325.364 2.956 0 50 EFAA O=C(CCc1cccnc1)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12460075 DVTZWYZTKKIQQM-HXUWFJFHSA-N 327.472 2.739 0 50 EFAA C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)O)C3)ccc2O1 659144285 DXGSDADRYMHAQA-IUODEOHRSA-N 331.412 2.973 0 50 EFAA O=C1CC[C@@H]2CN(c3ncccn3)CC[C@@H]2N1CCc1cccs1 247855500 JOZAVTXTNMRGTK-ZBFHGGJFSA-N 342.468 2.598 0 50 EFAA c1ccc(-c2nc([C@@H]3CCCN(Cc4cnn5c4CCC5)C3)n[nH]2)cc1 668166931 MUKJPOJTFYOVTR-MRXNPFEDSA-N 348.454 2.994 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1nc(-c2ccco2)n[nH]1 252486198 GOGRBWHCDTVOFI-FRRDWIJNSA-N 329.404 2.927 0 50 EFAA CO[C@]1(C)C[C@@H](N(C)C(=O)CCc2ccccc2C(=O)O)C1(C)C 262051787 ALLCVPQEIJVSDL-DNVCBOLYSA-N 333.428 2.979 0 50 EFAA COc1ccc(Br)cc1-c1noc(-c2ccnn2C)n1 390832994 AGZXFRLKPSUDBX-UHFFFAOYSA-N 335.161 2.908 0 50 EFAA COc1ccc(F)cc1[C@H](C)NC(=O)NCc1cc(C)cnc1O 912069486 RHPDMWWOYAMIHK-NSHDSACASA-N 333.363 2.804 0 50 EFAA COCCCNC(=O)COc1cc(C)c(Br)c(C)c1 3003317 KDAXYVARBXACQD-UHFFFAOYSA-N 330.222 2.597 0 50 EFAA COc1cc(NC(=O)CN2CCC(c3ncco3)CC2)cc(OC)c1 931446838 PFKRNWNPMDTZDH-UHFFFAOYSA-N 345.399 2.510 0 50 EFAA C[C@H](CO)NCc1sc(Br)cc1Br 952994872 VSVGBVOKXLWUDT-RXMQYKEDSA-N 329.057 2.744 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](c4cnccn4)C3)cc2)n1 952992256 CECQPTGAYWVDPE-QGZVFWFLSA-N 347.422 2.909 0 50 EFAA CC1(C)COCC[C@@H]1CN=c1[nH]n2cc(-c3cccnc3)nc2s1 1875288092 NFESTKDPNIGXAL-CYBMUJFWSA-N 343.456 2.749 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cnn(C3CCCC3)c2C)CC1 1875365565 BBYWUAFVBJWCBG-UHFFFAOYSA-N 330.432 2.670 0 50 EFAA COc1ccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1F 886031130 TZLSZCRRQQAITM-WFASDCNBSA-N 348.340 2.866 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1cccnc1OC 888078665 JPABUXWTEOPCRY-FUHWJXTLSA-N 344.459 2.607 0 50 EFAA O=C(NCCc1ccc(Cl)s1)N[C@@H]1CCOC12CCOCC2 892091947 PPQYDYXRPCFMHY-GFCCVEGCSA-N 344.864 2.581 0 50 EFAA CC(C)=CC(=O)NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 1775993985 YURUWIDJTKPKEX-UHFFFAOYSA-N 347.318 2.639 0 50 EFAA Cc1nc2c([nH]1)C[C@H](C(=O)N1CC(C)(c3ccccc3F)C1)CC2 1775984594 DCRSRIJXKGRYSM-CYBMUJFWSA-N 327.403 2.762 0 50 EFAA O=C(NCc1nc([C@H]2CCOC2)n[nH]1)c1ccc(Cl)c2occc12 899331206 IXOFMVUDHKIKFQ-VIFPVBQESA-N 346.774 2.638 0 50 EFAA CC(C)n1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nn1 2100480264 BQSVUFFILZYNRB-LLVKDONJSA-N 347.806 2.504 0 50 EFAA CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CCCN(C3CC3)CC2)C1(C)C 2325751505 WYDYPFKXMNVWTC-HOTGVXAUSA-N 337.508 2.848 0 50 EFAA COC1(CNC(=O)N2CCS[C@@H]3CC[C@H]32)CCC(F)(F)CC1 2325756529 QDPSGELYFIPEOL-VXGBXAGGSA-N 334.432 2.870 0 50 EFAA COCCNC(=O)COc1ccc(C(C)(C)C)cc1Br 2179571 IOEJFUZVHGZDIV-UHFFFAOYSA-N 344.249 2.888 0 50 EFAA Cc1cc(C)cc(OCC(=O)Nc2ccc(OCC(=O)O)cc2)c1 4826534 VHAVDTIPBCUTCU-UHFFFAOYSA-N 329.352 2.784 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 225494886 ZWTDFFYXNUSBAI-KGLIPLIRSA-N 342.399 2.768 0 50 EFAA CN(C(=O)CN1CC[C@@H](N2CCCC2)C1)[C@@H]1CCCc2ccccc21 245395750 IVINTEAEXWHJLR-UYAOXDASSA-N 341.499 2.693 0 50 EFAA CCc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CC=CCC3)C2)ncn1 112509073 JFWCZUHYUSQMLR-RDJZCZTQSA-N 343.475 2.663 0 50 EFAA Cc1cc(NC[C@H](c2ccccn2)N(C)C)nc(-c2cccnc2)n1 65381050 DOJGVVKPFQCOBY-QGZVFWFLSA-N 334.427 2.957 0 50 EFAA COCc1nc(CNC(=O)C2(Nc3ccc(C)cc3)CCCC2)no1 65457225 BGDWISOWZHKJFW-UHFFFAOYSA-N 344.415 2.566 0 50 EFAA CCN(CC)Cc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)ccc1OC 65396315 WKIUCHYZXKTAJX-AWEZNQCLSA-N 328.416 2.734 0 50 EFAA C[C@@H]1CCCN(C(=O)CCNCC2(c3ccccc3)CCOCC2)C1 65386016 FFBQINODRKSOTI-GOSISDBHSA-N 344.499 2.973 0 50 EFAA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCN(c2ccccc2)CC1 247981744 HEGZHVSBFIBMSE-ZIFCJYIRSA-N 329.488 2.892 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(NC[C@H](C)Oc3cccnc3)c12 67690884 DYYJNPSHNGQUHA-VIFPVBQESA-N 344.396 2.972 0 50 EFAA Cc1ccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)cc1 22609002 STNYKPMKFWUTAT-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N[C@@H]1CCC[C@H]1CCO 252478329 AJIPDIIOWIEXIK-SMDDNHRTSA-N 326.824 2.699 0 50 EFAA COc1ccc(CCc2nc(C)cc(CN(C)C)c2O)cc1OC 300811 HAQLWGRIZKGOGN-UHFFFAOYSA-N 330.428 2.960 0 50 EFAA biogenic O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)CCNCC2 252503279 VAPNJVQPGOWZOL-KRWDZBQOSA-N 349.478 2.631 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(=S)N(C(C)=O)[C@@H]1c1ccccc1 2145138 OLVLGAXDYIKAHM-OAHLLOKOSA-N 332.425 2.644 0 50 EFAA Cc1c(NC(=S)Nc2cnn(Cc3cccc(F)c3)c2)cnn1C 2802478 MGAWOUMZERPCER-UHFFFAOYSA-N 344.419 2.921 0 50 EFAA CCNC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn23)CC1 72412493 ATJLDHBTPPRCBJ-UHFFFAOYSA-N 344.463 2.514 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2cccn2)C1 229422633 UNFJDQAOWYGITQ-MOPGFXCFSA-N 338.455 2.711 0 50 EFAA C[C@H](C(=O)N1CCCC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 229494133 AYWVCLDAIASRHC-MLGOLLRUSA-N 340.826 2.863 0 50 EFAA CN1CCC(N2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 215347826 XBWUIHRJBCUWHN-UHFFFAOYSA-N 349.906 2.511 0 50 EFAA CN(C)C[C@@H]1COCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 72149946 VHUDVPQOHNFJIM-HNNXBMFYSA-N 348.878 2.536 0 50 EFAA CCc1nnc(CN[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)o1 253392946 LCKWJGOOISXZQZ-APWZRJJASA-N 342.443 2.708 0 50 EFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 253433349 VYWARDINPWPPFM-GJZGRUSLSA-N 344.419 2.754 0 50 EFAA CC(C)c1nc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)no1 328642446 RAWAFVDFNAYSHE-RDJZCZTQSA-N 329.448 2.713 0 50 EFAA Cc1c(CN2CCc3nc[nH]c3[C@H]2C(=O)O)[nH]c2ccc(F)cc12 72429214 JROALCITXKRUTO-INIZCTEOSA-N 328.347 2.523 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328637008 OKOMXIZGIWHJFN-OAHLLOKOSA-N 341.459 2.891 0 50 EFAA CC(C)Oc1cncc(C(=O)N2CCN(c3ccccc3O)CC2)c1 151063194 GRDZWAQLQQQLJA-UHFFFAOYSA-N 341.411 2.537 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(C(C)C)no1 33086972 OUHVJNVVAVZALW-ZDUSSCGKSA-N 339.417 2.929 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2ccnn2CC)[C@@H]1c1cnn(C)c1 328624568 CNKHMNHPIHFLNF-QFBILLFUSA-N 344.507 2.542 0 50 EFAA O=C(c1cccc(Cl)c1)N(Cc1cccnc1)C[C@@H]1CCNC1 328622652 BLFNIOHERNROFT-OAHLLOKOSA-N 329.831 2.987 0 50 EFAA COc1ccccc1CC(C)(C)NC(=O)c1cccc(C(=O)O)n1 362535018 RTCWXIMNEMXPIN-UHFFFAOYSA-N 328.368 2.540 0 50 EFAA Cc1ccsc1-c1nsc(NC(=O)N2CCC[C@H](CO)C2)n1 154107710 VYPPHHPZGXNAMZ-JTQLQIEISA-N 338.458 2.811 0 50 EFAA Cc1cccnc1C[C@@H](C)N(C)Cc1cnc(N2CCOCC2)s1 215127345 YCRSESILZAJFIT-OAHLLOKOSA-N 346.500 2.746 0 50 EFAA CN(CCN1CCOCC1)Cc1c[nH]nc1-c1cc2ccccc2o1 72419735 HLLVQBCTTJYZMA-UHFFFAOYSA-N 340.427 2.587 0 50 EFAA COc1ccc(-c2noc(Cn3c(CO)nc4ccccc43)n2)cc1 72129099 YPBANKZVPKOKBB-UHFFFAOYSA-N 336.351 2.636 0 50 EFAA CCc1ccccc1OC1CN(Cc2ccccc2OCC(=O)O)C1 72146998 GZKCGBPCCIQYDA-UHFFFAOYSA-N 341.407 2.976 0 50 EFAA CN1C[C@@]2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)OC1=O 72146243 PZGIVQCEZQUATE-CQSZACIVSA-N 332.297 2.871 0 50 EFAA Fc1cncc(N2CCCN(Cc3nccn3C(F)F)CC2)c1 378249533 GVBUSPHNRFNWNP-UHFFFAOYSA-N 325.338 2.525 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1Cc2ccccc2O1 77553425 NFUOEDVAOYFLAO-SFHVURJKSA-N 335.363 2.699 0 50 EFAA COC[C@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)C1 496043215 OFDNNSYZVRWOLT-DZGCQCFKSA-N 340.464 2.565 0 50 EFAA O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 43201999 YYLKKYCXAOBSRM-JXMROGBWSA-N 332.407 2.779 0 50 EFAA in-man Cc1nc([C@@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)n[nH]1 216282497 ORZIQSQFZBLHSV-AWEZNQCLSA-N 330.823 2.990 0 50 EFAA CCN(CC)Cc1cccc(NS(=O)(=O)NCc2ccccc2)c1 72169518 HZCUPKRVPGLUBT-UHFFFAOYSA-N 347.484 2.975 0 50 EFAA CCn1ncnc1[C@H](NC(=O)CCc1ccc(F)c(F)c1)C1CC1 219854668 GIZDYMUPPMBKBW-MRXNPFEDSA-N 334.370 2.776 0 50 EFAA Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 282142760 PZRLKCCLUWSOCN-BZUAXINKSA-N 342.443 2.502 0 50 EFAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)C1(c2ccc(Cl)cc2)CCC1 223687239 PASHNZYCTFRBGM-IRXDYDNUSA-N 348.874 2.741 0 50 EFAA CC(=O)N(c1nc(C)c(C(=O)Nc2nnc(C)s2)s1)C(C)C 40286645 DKWNZWKISZLENI-UHFFFAOYSA-N 339.446 2.625 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCC(Cc3noc(C)n3)CC2)s1 223631937 JGXCUVNPKZHOAX-UHFFFAOYSA-N 333.413 2.737 0 50 EFAA CC[C@H](NCC1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1F 130213823 XGKZBYACJRMIHI-INIZCTEOSA-N 346.443 2.677 0 50 EFAA c1ccc(O[C@@H]2CCOC[C@H]2Nc2ncnc3sccc23)nc1 220101205 ABNCPAWZTNKBTA-CHWSQXEVSA-N 328.397 2.735 0 50 EFAA CCC1(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 287625423 ZIFBCTGFNCXNEP-IBGZPJMESA-N 341.499 2.595 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)no1 82107809 HOCOUOSZZZUEDL-CYBMUJFWSA-N 327.384 2.757 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225682874 ONARLWFCVQXVCO-CJNGLKHVSA-N 325.343 2.650 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 82092002 NRTVZCDKSAXLTE-KRWDZBQOSA-N 339.443 2.777 0 50 EFAA O[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 225343272 GFEUQYIYJZZJDC-CXAGYDPISA-N 333.382 2.827 0 50 EFAA CCCCNC(=O)CN(C)C(=O)c1ccc(-c2ccncc2F)cc1 426504644 UFFKHLAPUVAXGG-UHFFFAOYSA-N 343.402 2.876 0 50 EFAA CCO[C@@H](C)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 426478843 DYIBBRABDFXBKS-HNNXBMFYSA-N 332.444 2.846 0 50 EFAA O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@@H]1c1cccnc1 426622919 KAXRWOZDGAJRTA-OAHLLOKOSA-N 343.456 2.821 0 50 EFAA CCSc1ccccc1NC(=O)N1CCc2[nH]nc(CO)c2C1 96133343 MNKLDVCODLJTIE-UHFFFAOYSA-N 332.429 2.604 0 50 EFAA C[C@H]1CCCN(CCOc2ccccc2CN2CCCN(C)CC2)C1 230562783 FXXKTRXKNZKSAA-IBGZPJMESA-N 345.531 2.935 0 50 EFAA COc1cccn(CC(=O)N2CCC[C@H](c3cccc(C)c3)C2)c1=O 95522592 KTFHHKONFSDORE-KRWDZBQOSA-N 340.423 2.572 0 50 EFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCCOC1CCCCC1 95519372 HMGJQDHKURMBGL-IBGZPJMESA-N 330.472 2.899 0 50 EFAA Cc1cc(CNC(=O)N2CCCN(C(=O)C3CCC3)CC2)ccc1F 426724063 XJUSCRHRGLJVSM-UHFFFAOYSA-N 347.434 2.678 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(c3nc(N)ncc3C)C2)cc1 91693953 BJGVSFHOLFWLJA-CQSZACIVSA-N 328.416 2.671 0 50 EFAA COCCc1nc2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2o1 95522194 DNEXLPDRVVXIJO-OAHLLOKOSA-N 338.363 2.880 0 50 EFAA O=C(NCc1noc(-c2ccco2)n1)[C@@H]1CCOc2ccccc2C1 95518973 OYMXTDSOGYPINI-CYBMUJFWSA-N 339.351 2.587 0 50 EFAA Cc1cnn([C@H]2CCN(C(=O)c3ccc(-c4cc[nH]n4)s3)C2)c1 290887601 AIJMDURICUHJDU-LBPRGKRZSA-N 327.413 2.730 0 50 EFAA CCOCc1cc(CN2CCC(c3ncon3)CC2)ccc1OC 97446901 BCDDGMBOFCHAPH-UHFFFAOYSA-N 331.416 2.994 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1cnn(-c2cccc(F)c2)c1 244734439 NFNAZODJOSLJNJ-PBHICJAKSA-N 342.418 2.502 0 50 EFAA COc1ccc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)cc1Cl 243885639 ABDFHENJUAQYPM-LBPRGKRZSA-N 348.834 2.890 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)ccc21 293438051 ITMJIVWCMZBESF-DAXOMENPSA-N 340.423 2.604 0 50 EFAA O=C1NCCN(CC2=CCCOC2)[C@@H]1c1ccccc1C(F)(F)F 182573720 FJUZHNMQQTWXNH-OAHLLOKOSA-N 340.345 2.525 0 50 EFAA Cc1noc([C@H]2CCCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 253536962 RKXVGUYPMLQOTK-OAHLLOKOSA-N 342.399 2.725 0 50 EFAA O=C(NCCCc1ccc(O)cc1)N1CC[C@@H](N2CCCCC2)C1 265444339 LSFANMOKLUBEGI-QGZVFWFLSA-N 331.460 2.595 0 50 EFAA Cc1cc(C(=O)Nc2cc3nc(C)cc(C)n3n2)c2c(C)noc2n1 1151041253 AYLSAUHMXPOQEQ-UHFFFAOYSA-N 336.355 2.751 0 50 EFAA CSc1ccc2c(c1)CCN(C(=O)CN(C)Cc1cccnc1)C2 299795045 KNEXXCCIYLPDMD-UHFFFAOYSA-N 341.480 2.820 0 50 EFAA O=C(NCC1CCOCC1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299787096 RRNVULHDSZNMOP-OTWHNJEPSA-N 328.456 2.755 0 50 EFAA O=S(=O)(CC[C@H]1CCCO1)N1CCc2c1cccc2C(F)(F)F 185058029 JKSUQUFNLCIWJD-LLVKDONJSA-N 349.374 2.967 0 50 EFAA NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2Cc3ccccc32)c1 408512990 LWFKJXYGVGJGLH-INIZCTEOSA-N 335.407 2.664 0 50 EFAA CCc1ccc2c(CNC3(COC)CCOCC3)cc(=O)oc2c1 408518897 IWBQJLLRMXSGTA-UHFFFAOYSA-N 331.412 2.641 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3CCc4ccc(OC)cc43)c12 277698057 QBUVFYGVYIHTFA-GFCCVEGCSA-N 339.399 2.536 0 50 EFAA CCC[C@]1(CO)CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 278111267 KYOBVNKGMVYBPM-HXUWFJFHSA-N 344.455 2.576 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H](NCc2cn(C(C)(C)C)nn2)C1 170611352 YFLSTNDIPOCYOX-ZDUSSCGKSA-N 337.468 2.522 0 50 EFAA O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CC12CCS(=O)(=O)CC2 188205575 KZTIZOUVSNTCPL-SNVBAGLBSA-N 331.796 2.633 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2csc(C(C)C)n2)(C(=O)O)C1(C)C 193031538 FVABNKPPRUTPDE-BDJLRTHQSA-N 340.445 2.655 0 50 EFAA COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)N2CCCC2)c1 665385992 MZDPFSNSRGUXNM-ZMMAXQRCSA-N 328.456 2.994 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)o1 666765326 HDKBCSNSRUWONS-DZQJYWQESA-N 330.428 2.714 0 50 EFAA CC[C@@H](C)N(CC)S(=O)(=O)c1cccc2c(C(=O)O)nccc12 656715996 CVYVGBSEWJITJS-LLVKDONJSA-N 336.413 2.742 0 50 EFAA O=C(O)CCc1cccc(NC(=O)Nc2cnc3c(c2)COCC3)c1 669502569 ONMBYLMCIOYDMU-UHFFFAOYSA-N 341.367 2.816 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCCc2noc(-c3ccccc3)n2)n1 1506418845 UEWDMDXCEVSWQR-AWEZNQCLSA-N 325.416 2.771 0 50 EFAA CC(C)n1cc(NC(=O)C2CCN(Cc3cccnc3)CC2)cn1 1529167280 HVIFSZWASXYASO-UHFFFAOYSA-N 327.432 2.710 0 50 EFAA CC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1 12379378 UFTIAUFUCVJLBS-UHFFFAOYSA-N 343.452 2.685 0 50 EFAA COc1cc(C(=O)NCc2cccnc2N(C)C)c2ccccc2n1 12477743 MXIDWKHCLFZGBF-UHFFFAOYSA-N 336.395 2.634 0 50 EFAA COCCC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1 12596917 UQSOAHXKQIOTCO-UHFFFAOYSA-N 336.451 2.575 0 50 EFAA CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccco1 13956020 NCXCKLWQVKCIBV-UHFFFAOYSA-N 344.396 2.994 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)NC1CCCCC1 14832814 NXLKREIVNSXQFV-UHFFFAOYSA-N 331.416 2.613 0 50 EFAA CCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(N(C)C)cc1)CC2=O 4838761 CEWXBKKYULVAPU-ZDUSSCGKSA-N 338.411 2.804 0 50 EFAA Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857679932 AZHSMZBKSLJUOF-DSKINZAPSA-N 336.435 2.988 0 50 EFAA Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1nnnn1C)C(C)(C)C 225625866 JZOIBZQWSDTVPA-GXTWGEPZSA-N 330.436 2.666 0 50 EFAA COc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 4750517 HUWLDXPMJHDJEF-UHFFFAOYSA-N 345.351 2.736 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@@H](N)C1 123589115 RSTBDTHXLPUNOU-SNVBAGLBSA-N 330.862 2.585 0 50 EFAA C[C@H]1CCCN(S(=O)(=O)c2csc3ccccc23)[C@H]1C(=O)O 331955797 HUTXMEBQWZKOPE-IINYFYTJSA-N 339.438 2.775 0 50 EFAA C[C@@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)c1ccc2ccccc2c1 239882065 DACSASYHJAODPS-DYVFJYSZSA-N 346.452 2.729 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)c1cc2ccccc2c(=O)o1 253433347 VYCJOJJAHJMOBS-UHFFFAOYSA-N 341.294 2.971 0 50 EFAA O=C(COC1CCCCC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 365654515 RBIYCAAYXILUTN-HXUWFJFHSA-N 349.446 2.929 0 50 EFAA O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@H](Cc2ccncc2)C1 374691693 DXGGHUPQXQBRBB-OAHLLOKOSA-N 333.391 2.628 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)n1 262402939 BESOVZUSKHGRRN-KBXCAEBGSA-N 341.411 2.662 0 50 EFAA Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)c(C)c1 262893257 CLLMRQNGXAGCJZ-KRWDZBQOSA-N 325.364 2.794 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@H]1C[C@H]1CCCO1 903944026 HKOLKZVPORUYSL-CHWSQXEVSA-N 339.819 2.808 0 50 EFAA CCOc1cnc(-c2noc(-c3ccc(P(C)(C)=O)cc3)n2)cn1 904037461 ICWXIGKIUKQDGI-UHFFFAOYSA-N 344.311 2.840 0 50 EFAA Cc1c(C[C@H](CN)CO)cccc1-c1ccc([C@H]2CCC(=O)N2)cc1 906203731 DRHFFBVALHRIET-FOIQADDNSA-N 338.451 2.723 0 50 EFAA Cc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)c2c1CCC2 909966280 PKUCCCOERIPHBL-UHFFFAOYSA-N 327.384 2.752 0 50 EFAA COc1cncc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)F)c1 825507149 JWLOFQIPJBUKCK-GDBMZVCRSA-N 348.349 2.591 0 50 EFAA Cn1cc(-c2nc(CN3CCC[C@@H](c4ccn(C)n4)C3)cs2)cn1 932134663 GILWIBKRNISNGN-CYBMUJFWSA-N 342.472 2.657 0 50 EFAA Cc1cc(C)c(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)[nH]1 952848349 LDRAAUQMZRQRAP-CABCVRRESA-N 339.443 2.893 0 50 EFAA c1ccc(-c2ccnc(C3CCN(C[C@@]45CNC[C@H]4C5)CC3)n2)cc1 952892261 MMWKCAOAFKZJEN-WIYYLYMNSA-N 334.467 2.933 0 50 EFAA COc1ccc(NC(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)cc1F 952993642 JFAOYRQFYAVVFX-NHYWBVRUSA-N 328.347 2.918 0 50 EFAA Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H]2c2ccccc2)ccc1N 1875313576 PMMJBIFYAFCEBC-RDJZCZTQSA-N 337.423 2.826 0 50 EFAA C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2cc(-c3ncccn3)ncn2)C1 1875305315 QJMGSETYNWJAGV-OHFALNGGSA-N 339.443 2.700 0 50 EFAA CCO[C@]1(c2nnc(-c3ccncc3Br)o2)CCOC1 886082150 FACOCJBVZSDEJN-CYBMUJFWSA-N 340.177 2.546 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cccc(F)c2F)C3)n1 888098050 AKYQQAUTRITEDA-GTNSWQLSSA-N 333.338 2.850 0 50 EFAA COc1cccc(NC2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)c1 888101810 OZSQKFRDBMLJGP-UHFFFAOYSA-N 343.471 2.760 0 50 EFAA Cc1cc(NC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cnc1C 893813736 TZGMBECSBNAHII-KRWDZBQOSA-N 346.452 2.855 0 50 EFAA Fc1ncc(Br)cc1Cc1noc([C@H]2CCCO2)n1 1775998310 WOIMVADTHMOEIM-SECBINFHSA-N 328.141 2.809 0 50 EFAA CC(C)(C)C[C@H](CO)NC(=O)Nc1ccc(F)nc1Br 1775998799 KDRUSKQWDAFFTM-MRVPVSSYSA-N 348.216 2.902 0 50 EFAA O=C(O)c1cccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n1 262646611 RBMJCYGDNUNLQF-OAHLLOKOSA-N 340.379 2.601 0 50 EFAA COc1cc(NC(=O)CCc2ccccc2)c(C(=O)O)cc1OC 54504 ODZDJABMNTVTNJ-UHFFFAOYSA-N 329.352 2.973 0 50 EFAA biogenic CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCC13CCCC3)CC2 2325745372 LUXJGLYYSYZMLZ-UONOGXRCSA-N 331.464 2.738 0 50 EFAA Cc1sc([C@@H](C)N)nc1C(=O)NC[C@H]1CCCC12CCOCC2 2325769214 YRMHFHXOABTUFO-DGCLKSJQSA-N 337.489 2.798 0 50 EFAA NCCCN(CC1CCCC1)C(=O)C[C@@H]1CC[C@H]2CNCC[C@@H]2C1 2325778823 RFAFFMQAFPCGNF-QRVBRYPASA-N 335.536 2.770 0 50 EFAA COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(C2CCC2)n[nH]1 2325794488 CZGXVBJMWZLJGJ-SFHVURJKSA-N 325.412 2.950 0 50 EFAA O=C(NCc1cnc2ccccc2c1)c1ccc(F)c2c1CCNC2 2325855829 QLGXKJRYZBPUFA-UHFFFAOYSA-N 335.382 2.950 0 50 EFAA COc1ccc(C(=O)NC(C)(C)C)cc1I 46415 DBKHKMZEMCUMNT-UHFFFAOYSA-N 333.169 2.828 0 50 EFAA CCOc1ccc(N2C[C@H](C(=O)Nc3ncccc3C)CC2=O)cc1 270152 RDESPQAMBFQBAH-CQSZACIVSA-N 339.395 2.780 0 50 EFAA O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 449322 SPUAYNYIXVIFJN-UHFFFAOYSA-N 335.146 2.934 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1052350 STRRLUYDSCOZAP-UHFFFAOYSA-N 326.418 2.676 0 50 EFAA O=C(Cc1noc2ccccc12)Nc1ccnn1Cc1cccnc1 2356148203 LPGPFZDKPFISOX-UHFFFAOYSA-N 333.351 2.649 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4nccn4c3)C1)CC2 2356157840 SWSHOIGVVVQBRB-HXUWFJFHSA-N 347.422 2.553 0 50 EFAA O[C@@H]1CCN(c2nccn3c(-c4ccc(Cl)c(F)c4)cnc23)C1 2356159561 HBSFBHPZUCPWGW-LLVKDONJSA-N 332.766 2.760 0 50 EFAA Cc1nc2c(NC(=O)c3c[nH]nc3-c3cccc(F)c3)cccn2n1 2356164327 OTXNNROHXQFGEF-UHFFFAOYSA-N 336.330 2.819 0 50 EFAA O=C(CSc1ncccn1)NCc1cccc(C(F)(F)F)c1 6321486 MXGCSXCNQICVLG-UHFFFAOYSA-N 327.331 2.904 0 50 EFAA COc1cc(C)cnc1C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 345401536 BDMGCLMCZJZTEF-CQSZACIVSA-N 343.402 2.889 0 50 EFAA C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1nnc2ccccn12 117584856 VWAXVUBDVIDJOU-ZIAGYGMSSA-N 336.395 2.863 0 50 EFAA O=C(CCCc1ccc(Cl)cc1)NCc1nnc2n1CCCC2 53904633 QUDGOKYJNYHOQE-UHFFFAOYSA-N 332.835 2.907 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 20513320 RNNOKIKKQIIXCX-LJQANCHMSA-N 326.440 2.557 0 50 EFAA CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O 55167699 LYUWHFZGMMUHJP-CQSZACIVSA-N 339.395 2.974 0 50 EFAA CSc1ccccc1NC(=O)CCC(=O)N(C)C1CCN(C)CC1 55042192 RFNNSSUSTILAJC-UHFFFAOYSA-N 349.500 2.680 0 50 EFAA COc1ccc(C2=C[C@@H](c3ccc(OC)cc3)n3nnnc3N2)cc1 100622324 JFVKIDNUMUZLNN-KRWDZBQOSA-N 335.367 2.746 0 50 EFAA CCn1ccc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)n1 67641392 OZLUXSJABQYRSB-UHFFFAOYSA-N 337.383 2.724 0 50 EFAA COC(=O)[C@@H](NCC(=O)Nc1ccc(C)cc1C)c1ccccc1 65418634 VUZFDCGXRFHMQU-SFHVURJKSA-N 326.396 2.746 0 50 EFAA O=C1C[C@@H](c2ccccc2)CN1Cc1nc(Cc2ccccc2)n[nH]1 65494023 OTAFXQOSCYEPQA-QGZVFWFLSA-N 332.407 2.912 0 50 EFAA O=C(NCCCOC1CCCC1)c1ccccc1N1CCOCC1 61253938 CXXBPHIQGBWACG-UHFFFAOYSA-N 332.444 2.602 0 50 EFAA CCCN(C[C@H]1CCCO1)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 67588503 IGTZCRMCDTVREZ-CYBMUJFWSA-N 332.375 2.698 0 50 EFAA CC(C)CC(=O)N1CCC(CNc2ccc(-n3cncn3)cc2)CC1 252494637 OARJKNCKJPBHFY-UHFFFAOYSA-N 341.459 2.964 0 50 EFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 252516515 TUADLELGQVSNMV-HZSPNIEDSA-N 334.489 2.729 0 50 EFAA Cn1cnnc1[C@@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72447172 VMEYCPOKCOBGNA-GOSISDBHSA-N 342.487 2.898 0 50 EFAA O=C(CN1CCC[C@H]1Cn1cccn1)N1CCC[C@@H]1c1cccs1 229488097 NAVWJRUHCDWPPL-JKSUJKDBSA-N 344.484 2.773 0 50 EFAA CCOc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1OCC 119824276 HQJHUITWVAJFEL-KRWDZBQOSA-N 344.459 2.988 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)Cn3cc(C)cn3)C2)cc1 77356005 YCYCGZUQHUCAEI-INIZCTEOSA-N 343.427 2.518 0 50 EFAA Cc1nc(C)c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)o1 253421295 BHGMGYCBWDPFNH-UHFFFAOYSA-N 343.427 2.694 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1OCCc2ccccc21 121750883 NJIRMDGGHFHWKR-CYBMUJFWSA-N 325.290 2.698 0 50 EFAA Oc1nc2ccc(-c3noc(Cn4ncc5ccccc54)n3)cc2[nH]1 356765810 PKNPOEXONAIIPZ-UHFFFAOYSA-N 332.323 2.717 0 50 EFAA O=C1CC[C@H]2CN(Cc3ccsc3)CC[C@H]2N1CCc1c[nH]cn1 72468711 NRFAOHVFRPURQD-DOTOQJQBSA-N 344.484 2.527 0 50 EFAA O=C(Nc1ccncn1)N1CCOc2ccc(Br)cc2C1 374653336 BDJAAICTXNFNAK-UHFFFAOYSA-N 349.188 2.666 0 50 EFAA C[C@@H](OCC(=O)N1CCC2(Cc3ccccc3C2)C1)c1nccn1C 367793175 NUHRCAYFPPHTHZ-OAHLLOKOSA-N 339.439 2.515 0 50 EFAA O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CSCN1 158261399 KHTBMRZNRCHCTC-LBPRGKRZSA-N 330.375 2.516 0 50 EFAA O=C(Nc1ccc2oc(=O)ccc2c1)N[C@H]1c2ccccc2C[C@@H]1O 368894604 WLZGPGDEPCEJIU-YJBOKZPZSA-N 336.347 2.573 0 50 EFAA C[C@H](CN(C)C(=O)C1c2ccccc2Oc2ccccc21)c1nnn[nH]1 156559065 UDPCFZJRAVHDOB-GFCCVEGCSA-N 349.394 2.699 0 50 EFAA Cc1cc(C(=O)N2CC[C@@]3(CCCOC3)C2)nn1-c1ccc(F)cc1 375566887 SJUMOIATSMNPRC-IBGZPJMESA-N 343.402 2.963 0 50 EFAA O=C(O)CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CCOCC1 238113290 CPPVNEMTLMPGGT-UHFFFAOYSA-N 347.342 2.792 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(C(=O)CCn3ccnc3)C2)cc1 77457689 UKWDQIQHEAIBEB-KRWDZBQOSA-N 327.428 2.899 0 50 EFAA Cc1c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)oc2ccc(F)cc12 262876118 GPZJPLBOOMTVDU-AWEZNQCLSA-N 349.358 2.738 0 50 EFAA C[C@]1(CNC(=O)Nc2ncc(C3CCOCC3)s2)CCOC1 333672149 NYWIMVQUXSJNSK-OAHLLOKOSA-N 325.434 2.585 0 50 EFAA CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72453645 PTONLQQKTBGOOF-LJQANCHMSA-N 329.444 2.613 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)CCc2ccc(C(=O)O)cc2)o1 237658313 UYJXEGNACMGTCN-MRXNPFEDSA-N 343.379 2.819 0 50 EFAA CN(CC(=O)N1CC[C@H](c2ccccc2F)C1)Cc1ccccn1 77503670 AOHWDBZTXPNNQH-HNNXBMFYSA-N 327.403 2.669 0 50 EFAA O=C(Nc1ccn(-c2ncccc2F)n1)N1CCC[C@@H]1C1CCC1 378288278 LFPVXIIGVKDBJM-CQSZACIVSA-N 329.379 3.203 0 50 EFAA CC[C@H]1Oc2cc([C@H](C)Nc3cc(Cl)nc(N)n3)ccc2NC1=O 173997330 PMGQLFGLSIUSSV-GZMMTYOYSA-N 347.806 2.995 0 50 EFAA C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1 239653685 BKTKSJPNZKAOGX-IJCBKZNRSA-N 346.471 2.798 0 50 EFAA O[C@H](CN1CCC[C@H]1c1nc2ccccc2s1)Cn1cccn1 240244174 DKNFVMJNUPEVQS-HIFRSBDPSA-N 328.441 2.691 0 50 EFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc2ccccc2c(=O)o1 240912303 IXGBOKCZJNEHHN-HNNXBMFYSA-N 337.331 2.861 0 50 EFAA CC[C@@H](C(=O)N(C)Cc1cc(-c2ccncc2)no1)n1cccn1 223043040 APUXHOLILSTIQN-INIZCTEOSA-N 325.372 2.543 0 50 EFAA O=C(O)c1cccc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)c1 263360689 RWZBMMLUJJPAOO-KRWDZBQOSA-N 330.428 2.656 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cncc(C(F)(F)F)c1 263385066 CMYGNJKKNBBZDW-WQAKAFBOSA-N 342.317 2.958 0 50 EFAA Cc1nnc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)s1 175038076 SLJXNGVRPIXEJF-CQSZACIVSA-N 334.420 2.979 0 50 EFAA COC(=O)N1CCCC[C@H]1C(=O)NCCc1c(C)[nH]c2ccccc12 221391115 ABOACIGJQBCMBT-KRWDZBQOSA-N 343.427 2.756 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1c(F)cccc1F 48513533 MUDXWCQJDJOICL-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA O=C(c1scc2c1CCCC2)N1CCCC[C@@H]1CN1CCOCC1 223190561 VWIRQXBHPMXKDA-MRXNPFEDSA-N 348.512 2.954 0 50 EFAA CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2cc(=O)[nH]c(C)n2)C1 91518596 PFTSQLMMOMBMNE-LJQANCHMSA-N 331.460 2.996 0 50 EFAA Cc1nccn1-c1ccccc1-c1nc2c([nH]1)CC(C)(C)CNC2=O 95384976 FDTQLXDVEBWGLC-UHFFFAOYSA-N 335.411 2.883 0 50 EFAA COCc1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2F)no1 95522188 SAXKYGHFHSEWSO-UHFFFAOYSA-N 348.256 2.696 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1csc(C(C)C)n1 291812550 YDWUKXDIYPOXRV-AWEZNQCLSA-N 329.425 2.584 0 50 EFAA CN(CCc1nc2ccccc2[nH]1)C(=O)[C@@H]1COc2ccccc2C1 91656188 PETIYDLCMDXDLW-HNNXBMFYSA-N 335.407 2.815 0 50 EFAA CCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 95521262 AYTNRYCWXXCPHJ-QGZVFWFLSA-N 349.494 2.838 0 50 EFAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)c1 95387976 JCANOEJWROPQOH-CQSZACIVSA-N 339.395 2.616 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)c(C)o1 95379759 BQCNTBFRAYIFOE-JXFKEZNVSA-N 341.407 2.582 0 50 EFAA COc1ccc([C@](OC)(OCCN2CCCCC2)C(C)(C)O)cc1 96027269 UNUVDLHYSKGQCJ-IBGZPJMESA-N 337.460 2.768 0 50 EFAA CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1C 230512461 CYFODKLIDQSQTK-UHFFFAOYSA-N 339.288 2.922 0 50 EFAA Cc1cccc(CN2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)c1 91713038 RJNZPPJLCFSTHC-OAQYLSRUSA-N 342.483 2.989 0 50 EFAA CC(C)[C@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 252537119 KIXPBOIPEUURGN-INIZCTEOSA-N 343.452 2.738 0 50 EFAA Cc1csc(CCNC2CCN(C(=O)c3cccs3)CC2)n1 534589998 QIHCOVMRWUMADX-UHFFFAOYSA-N 335.498 2.950 0 50 EFAA CCn1nccc1S(=O)(=O)NC1(c2cccc(Cl)c2)CC1 274557734 IOARHOWBGNQQSY-UHFFFAOYSA-N 325.821 2.524 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 299802427 LUEOMUSOPFEYEI-DLBZAZTESA-N 344.459 2.525 0 50 EFAA O=C1CC[C@H](CCNCc2ccccn2)N1Cc1ccc(F)cc1 299764733 KGMQTSRFEHEWNB-GOSISDBHSA-N 327.403 2.892 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@H](c3cc(O)nc(C)n3)C2)cc1 299792581 FFKJVSGCBWSENY-ZDUSSCGKSA-N 342.399 2.911 0 50 EFAA O=C(CCN1Cc2ccccc2C1=O)Nc1cccc(-n2cccn2)c1 828070069 BRAJBPIHYIWFON-UHFFFAOYSA-N 346.390 2.857 0 50 EFAA CC(C)Oc1ccc(CN2CCN(c3cccnc3)CC2)cc1CO 828817614 KLRRQMKMLCZSFR-UHFFFAOYSA-N 341.455 2.683 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)Cc2cc(C3CC3)on2)nc(O)n1 584889695 IUPYOOBDGZESKQ-UHFFFAOYSA-N 330.388 2.518 0 50 EFAA Cc1cn2c(=O)cc(CN[C@@H](C)c3cnn(C(C)C)c3)nc2s1 1351284929 XBOGZHHUQUJBNL-LBPRGKRZSA-N 331.445 2.693 0 50 EFAA CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc3ncccc3c2)CCO1 408453059 SKXXYERWYCTGCK-MRXNPFEDSA-N 334.441 2.670 0 50 EFAA CC(C)C[C@@]1(c2nc(-c3ncccc3OC(C)C)no2)CCNC1=O 632172546 NLRLEHJUTJSGSJ-SFHVURJKSA-N 344.415 2.723 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[S@@](=O)c1cccc(F)c1 170667587 ORWRMIZZLXBFAJ-PPWXJAPKSA-N 341.448 2.645 0 50 EFAA Cn1cc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cn1 639472374 MYJQBAUMTSJRSX-INIZCTEOSA-N 328.416 2.836 0 50 EFAA CCCN1C(=O)CCc2cc(NC(=O)c3cc(C(=O)O)co3)ccc21 191659976 LGEKTWRAHJQVLW-UHFFFAOYSA-N 342.351 2.919 0 50 EFAA CC(C)(O)COc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 674051019 JRAAPSDFDIGJBQ-UHFFFAOYSA-N 325.372 2.556 0 50 EFAA CC1(C)CCN(C(=O)c2ccc3ccccc3c2O)CCS1(=O)=O 194183278 UWFQWSIKLVDKDP-UHFFFAOYSA-N 347.436 2.585 0 50 EFAA O=C(Nc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CCOCC1 654165612 XVIIKBBMCXCWRA-UHFFFAOYSA-N 329.375 2.865 0 50 EFAA CCCc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(C)C3)CC2)o1 1529154164 YKSVCEYKYNZDQA-QGZVFWFLSA-N 347.503 2.608 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@@H]21 1704298602 IUYVHQUMRFAUHF-UVBSCNOISA-N 339.382 2.743 0 50 EFAA COc1ccc(CCN(C)c2ncc(C(C)=O)c(C)n2)cc1OC 1704308757 JLCMFXRZFBVNOD-UHFFFAOYSA-N 329.400 2.684 0 50 EFAA O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 5558748 UFJAKNFXMDLHKM-UHFFFAOYSA-N 348.399 2.863 0 50 EFAA O=C(c1ccncc1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12577479 WWCOGNDIJUJRHN-UHFFFAOYSA-N 349.346 2.664 0 50 EFAA O=C(c1ccsc1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12591119 QBNNKIGZWKRIHE-OAHLLOKOSA-N 342.468 2.917 0 50 EFAA O=C1CCN(C/C=C/c2ccccc2)CCN1CCN1CCCCC1 15002130 OMUKUSXPEDFLIY-JXMROGBWSA-N 341.499 2.720 0 50 EFAA Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)cc1 169765935 USAPBWBTDPSHNN-IBGZPJMESA-N 349.434 2.937 0 50 EFAA O=C([C@H]1CCO[C@@H]1c1ccncc1)N1CC[C@H](Cc2ccncc2)C1 1857533059 ARVUAXBSUKMYFB-NZSAHSFTSA-N 337.423 2.645 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(C[C@H]1CCCOC1)CC2 1857672935 JWKKXYCFRPJCQG-MRXNPFEDSA-N 325.456 2.914 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1nnnn1-c1ccccc1 230091883 NMJVZGSLWLOICB-OFQRWUPVSA-N 340.431 2.697 0 50 EFAA CCOc1cccnc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 121955825 AYQJOTYGKRRASU-UHFFFAOYSA-N 329.331 2.756 0 50 EFAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1OCCN(C)C)C2 248048881 XDFFKIPTMPFUDG-QUCCMNQESA-N 345.531 2.933 0 50 EFAA COCC1(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCC1 357172252 BVRWUZXSOOSRAF-UHFFFAOYSA-N 342.443 2.998 0 50 EFAA CCC1(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)CC1 263554790 YHIKVUAWBPRARZ-HNNXBMFYSA-N 344.411 2.895 0 50 EFAA Cc1cc(=O)[nH]cc1C(=O)NCC1(N2CCCCC2)CCCCC1 164321232 PHHQSGQIQHVUBT-UHFFFAOYSA-N 331.460 2.602 0 50 EFAA CC(C)(C)[C@H](CCO)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 164478408 FZIXFVZODVVILR-GJZGRUSLSA-N 326.481 2.965 0 50 EFAA O=C(N[C@@H]1CCCCNC1=O)c1c(Cl)cccc1OCC1CC1 902478527 YLLURVZHMHMKBZ-CYBMUJFWSA-N 336.819 2.527 0 50 EFAA Cn1cc(N2CCN(C(=O)c3ccc(Cl)c4occc34)CC2)cn1 933946969 LAWFSIRQQIKYNZ-UHFFFAOYSA-N 344.802 2.782 0 50 EFAA O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccnn1C1CCC1 934466110 HJCHNQJZNHTXLU-LBPRGKRZSA-N 346.381 2.895 0 50 EFAA CC1(c2nnc(-c3ccccc3F)o2)CN(Cc2cnns2)C1 952894209 XMFSMGURRCAECN-UHFFFAOYSA-N 331.376 2.501 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@H]1C(C)C 1875298659 IVWNAIRUPYDIHG-UONOGXRCSA-N 326.343 2.874 0 50 EFAA O=C(NCc1nc2c([nH]1)CCCC2)c1nc2ccc(O)cc2s1 1875282529 IKPLKGRJSUALNN-UHFFFAOYSA-N 328.397 2.534 0 50 EFAA Cn1ccc(-c2nc(CNC(=O)c3ncc(C(C)(C)C)o3)cs2)n1 1875282616 LRSWGHQSHZZPLF-UHFFFAOYSA-N 345.428 2.759 0 50 EFAA Cn1c(-c2noc(C[C@@H]3C[C@@H]4OCC[C@H]4O3)n2)cc2ccccc21 1875306068 RLRUUPAGEQTEFI-MAZHCROVSA-N 325.368 2.717 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2oc(C)cc2C)C1 886031257 VLMXUQUKNFHQJS-GOEBONIOSA-N 330.384 2.600 0 50 EFAA CCc1nnc(O)c(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1CC 889209885 UJNKKWKOHFXEPA-HNNXBMFYSA-N 339.439 2.937 0 50 EFAA C[C@H](NC(=O)c1ccccc1N1CCCC1=O)c1c(F)cncc1F 1776002254 SROBWNDPCMVLCJ-NSHDSACASA-N 345.349 2.978 0 50 EFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1 477054 MAMUAAAILSXXBQ-QGZVFWFLSA-N 341.436 2.593 0 50 EFAA CC1CCC(N(C)C(=O)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 2325807089 ZIDDFDNJMWRAHG-UHFFFAOYSA-N 331.395 2.585 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1cnc2cnccc2c1=O 248416498 PRHYBUVDNHXJAK-CPUCHLNUSA-N 343.427 2.796 0 50 EFAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC(C)C)cc1 527713 UZODIRARSBMNML-UHFFFAOYSA-N 345.395 2.617 0 50 EFAA Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl 2835809 ZRRMDMWFTJIIQT-UHFFFAOYSA-N 338.816 2.565 0 50 EFAA COc1cc(NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 3426505 URXSNLJKCUQFGF-UHFFFAOYSA-N 344.367 2.923 0 50 EFAA biogenic Cc1ccc2c(CN3CC[S@@](=O)C[C@H](C)C3)cc(=O)oc2c1C 225469368 GJIJWJZLVAPZPM-SFDCACGMSA-N 333.453 2.610 0 50 EFAA Nc1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 22223035 FNIDXSCUDVFKNO-UHFFFAOYSA-N 327.203 2.832 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCC[C@@H](O)C(F)(F)F)cc1 227257787 LOSUZNPXWBUBPM-KFWWJZLASA-N 345.361 2.892 0 50 EFAA O=C(O)c1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)c(Cl)c1 342221130 LDHCPNORNYYOHB-ONEGZZNKSA-N 327.727 2.840 0 50 EFAA O=C(O)C1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 20744900 KNPFTHARYDWWDU-UHFFFAOYSA-N 330.409 2.676 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CCc2scnc2C)n1 65461922 OUZADTGFTYHFLL-UHFFFAOYSA-N 344.362 2.818 0 50 EFAA CN1CCC(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 65363747 WPROVRBVBILMHU-UHFFFAOYSA-N 349.906 2.762 0 50 EFAA CCCCN(Cc1sccc1C)C(=O)C[C@H]1CN(C)CCN1C 65528767 JTHHPFVPYWVASV-INIZCTEOSA-N 337.533 2.821 0 50 EFAA C[C@@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 22589091 YCDLBCWKRNILLH-SNVBAGLBSA-N 327.311 2.852 0 50 EFAA Cc1cccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 65362193 WZBDXRMJEHGLQT-UHFFFAOYSA-N 346.452 2.629 0 50 EFAA NC(=O)c1cccnc1Oc1cc(F)c(CN2CCCC2)c(F)c1 67934994 LQIWSCLKUNMYJM-UHFFFAOYSA-N 333.338 2.847 0 50 EFAA CC[C@H]1CN(C(=O)c2cnn(CC3CCOCC3)c2C)CCS1 328588240 MLIMXWZJSABCKH-HNNXBMFYSA-N 337.489 2.586 0 50 EFAA COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)O)cn1 432128563 GGWKULRTURHLHP-CHWSQXEVSA-N 342.351 2.850 0 50 EFAA CCn1cc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cn1 2808406 NOTAJVZQUNHZSI-UHFFFAOYSA-N 336.395 2.591 0 50 EFAA COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229647378 ORVVYWIZKBBYPR-QVHKTLOISA-N 334.416 2.576 0 50 EFAA Cc1ccc(CN(C)C(=O)c2ccc(=O)n(-c3ccccc3F)n2)o1 120346267 CEBQXHUZRXDZLM-UHFFFAOYSA-N 341.342 2.545 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)n1 170994630 FVXSPLKBZMWCJM-CYBMUJFWSA-N 349.460 2.583 0 50 EFAA CCc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 279707287 KBXQOXYYASCFBX-YOEHRIQHSA-N 332.350 2.870 0 50 EFAA Cc1cc(N2CCN(c3cccc(O)c3)CC2)n2nc(C)c(C)c2n1 72479463 SGXVXKNCOXTFDS-UHFFFAOYSA-N 337.427 2.687 0 50 EFAA CCCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)n(C)n1 77469771 GUSVLSRTESSOET-CQSZACIVSA-N 344.434 2.768 0 50 EFAA Cc1nn(CC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cc1Cl 218892667 DOTZKWCFQGQJQC-UHFFFAOYSA-N 343.818 2.894 0 50 EFAA NC(=O)c1cccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 364070491 QITRLVYONXDPFL-AWEZNQCLSA-N 327.359 2.946 0 50 EFAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)cc2nc(S)[nH]c12 241774176 RNROYIGMVFGYBY-OWYVNGRQSA-N 347.415 2.678 0 50 EFAA O=C(C1CCOCC1)N1CCCN(CCCc2ccccc2)CC1 77322433 XJUDFIPIOCKZBC-UHFFFAOYSA-N 330.472 2.580 0 50 EFAA CN1CCC(N2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1 215514616 HYPYJSGAPBXUBP-UHFFFAOYSA-N 325.859 2.691 0 50 EFAA COc1cc2c(cc1CN1CCCC[C@H]1CN1CCOCC1)CCC2 77565811 NLIILWKVSVXRTA-FQEVSTJZSA-N 344.499 2.871 0 50 EFAA C[S@](=O)C1(CNC(=O)N2CCCC[C@H]2c2nccs2)CCC1 280787734 OKPZMSJSMROFTA-YTEVENLXSA-N 341.502 2.681 0 50 EFAA Cc1ccc(CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c(C)c1 72427350 XOFLSBHWYKCCRQ-GOSISDBHSA-N 341.503 2.873 0 50 EFAA CCc1nccn1C[C@@H]1CCCN1c1ncncc1Br 370654016 PLBXYXJDSRUPKI-NSHDSACASA-N 336.237 2.667 0 50 EFAA CCCO[C@H]1CCCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 77501870 YGINFGFTYMGLSR-ZDUSSCGKSA-N 333.388 2.554 0 50 EFAA CCc1n[nH]c(=O)c(C(=O)NCC(C)(C)c2ccccc2F)c1CC 128080896 VSYKOBUHPSDPQN-UHFFFAOYSA-N 345.418 2.741 0 50 EFAA C[C@H](C(=O)NCCCSc1ccc(Cl)cc1)N1CCCC1=O 215789812 NCPHOQZKFDFQBF-GFCCVEGCSA-N 340.876 2.949 0 50 EFAA CSc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 171809826 LKTSVPWWTNJLJT-HNNXBMFYSA-N 326.421 2.944 0 50 EFAA Cc1ccc(/C=C/C(=O)N(CCC(=O)O)C2CCOCC2)c(C)c1 237815836 NYLOLOGWAOSSQI-AATRIKPKSA-N 331.412 2.799 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ccncc1Br 281281882 RZEIBDLFMZASCL-IINYFYTJSA-N 337.221 2.767 0 50 EFAA COc1ccc(CCNC(=O)N2CCOC[C@@H]2CC(C)C)cc1F 172186788 XYZKMZDBKULEHC-HNNXBMFYSA-N 338.423 2.833 0 50 EFAA CC[C@H]1CN(C(=O)c2csc(NC(C)=O)n2)c2ccccc2O1 172689801 KIISWLNVLMLNQV-NSHDSACASA-N 331.397 2.919 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[C@@H]1CCCO1 378269546 YSCNDUJLHGQBGD-ILXRZTDVSA-N 348.447 2.794 0 50 EFAA OCCOc1cncc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 131623726 YBXKRSPYNCJFQP-UHFFFAOYSA-N 344.802 2.545 0 50 EFAA COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C(=O)O)cc1 263187130 WYNRBHCXCUWQFI-ULQDDVLXSA-N 343.354 2.880 0 50 EFAA CN(C)C[C@H](NC(=O)N[C@H]1CCCOCC1)c1ccc(Cl)cc1 283746383 YJXJRALGBKXAHJ-HOTGVXAUSA-N 339.867 2.811 0 50 EFAA O=C(NC[C@H]1CCCOC1)c1cnc(Br)c(Cl)c1 284400976 TZRUZPOJCKZESD-MRVPVSSYSA-N 333.613 2.654 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N1CC(N2CCCCC2)C1 223731324 PPEDPDFXRFCIMV-UHFFFAOYSA-N 326.362 2.945 0 50 EFAA Cc1nnc(SCCNC(=O)CCN2CCCCCCC2)s1 223251689 NJIJLPFAXNPJRZ-UHFFFAOYSA-N 342.534 2.711 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)cc1F 82108807 CWHGJMJUGNKMPW-CQSZACIVSA-N 331.391 2.892 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 223585093 JXIDAPPMJZOKSB-UHFFFAOYSA-N 329.331 2.544 0 50 EFAA COc1ccc(C(=O)N(C)Cc2csc(C(C)C)n2)c(OC)n1 82146260 JQSNQXWTRZWRAB-UHFFFAOYSA-N 335.429 2.951 0 50 EFAA C[C@H](CC(=O)N1CCCN(c2ccc(F)cc2)CC1)n1ccnc1 92077906 CONWLAHITWXJCY-OAHLLOKOSA-N 330.407 2.712 0 50 EFAA Cc1cccn2c(CC(=O)N[C@@H](C)c3nnc(C(C)C)o3)cnc12 426517761 CMHIHOOGEFNPCF-LBPRGKRZSA-N 327.388 2.569 0 50 EFAA C[C@@H](c1nc(-c2ccncc2)nn1CCO)N(C)C1CCCCC1 96148095 KUMQISDHIYILNR-AWEZNQCLSA-N 329.448 2.658 0 50 EFAA COCC1(CNC(=O)c2cccc(-c3c[nH]ccc3=N)c2)CCC1 426628313 RBHMUVPPTNBAOL-UHFFFAOYSA-N 325.412 2.708 0 50 EFAA CCCc1cc(N2CCC(NCc3cc(C)nn3C)CC2)nc(C)n1 96138230 ZZGFKYUEFVJKMS-UHFFFAOYSA-N 342.491 2.538 0 50 EFAA Cc1cccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)c1 97962237 ZNZPMTABDUKVCI-GOSISDBHSA-N 338.407 2.751 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)OCCO3)C2 91746137 QLNUPSSUZKSTQT-DOTOQJQBSA-N 346.471 2.773 0 50 EFAA Cc1nn(CC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c(C)c1C 97568778 WLOUHBOMWGEIEK-HNNXBMFYSA-N 345.468 2.991 0 50 EFAA O=C(c1ccccn1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95380473 YYKHFISYHXGMPR-QFBILLFUSA-N 347.462 2.785 0 50 EFAA O=C([C@H]1CCCCn2nnnc21)N1CCC2(C=Cc3ccccc32)CC1 97732917 CAFCGOBDWRVEOH-INIZCTEOSA-N 349.438 2.528 0 50 EFAA O=C(CCn1c(CO)nc2ccccc21)NCc1ccc(F)c(F)c1 97323839 VEVQGYTTXQTBFG-UHFFFAOYSA-N 345.349 2.513 0 50 EFAA O=S(=O)(NCC1(c2ccccc2F)CCCC1)N1CCCC1 534582569 QQQJUDVWEWQLHK-UHFFFAOYSA-N 326.437 2.568 0 50 EFAA Cn1ncc2ncc(C(=O)N3CCCC[C@@H]3c3nccs3)cc21 1940196481 OBLOLVZKUAIUBY-CYBMUJFWSA-N 327.413 2.792 0 50 EFAA Cc1ccccc1[C@@]1(CC(=O)O)CC(=O)N(Cc2ccccc2)C1=O 299773647 DRVRZBPUNAKHBJ-FQEVSTJZSA-N 337.375 2.667 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N(C)CCCc2c(C)n[nH]c2C)c1=O 299773422 AOOUJJJMELNRFI-UHFFFAOYSA-N 344.459 2.530 0 50 EFAA CC(C)Cc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)n[nH]1 821439099 WKLBRQUROHUXGM-UHFFFAOYSA-N 340.427 2.682 0 50 EFAA COc1ccc(Cc2nc(C3CCC3)n(C[C@@H]3COCCO3)n2)cc1 584899004 GBADMASCCXJJFG-QGZVFWFLSA-N 343.427 2.560 0 50 EFAA CCn1cncc1Cn1cnc2sc3c(c2c1=O)CCCCC3 584897108 PRWAEBPQHCRZSJ-UHFFFAOYSA-N 328.441 2.992 0 50 EFAA O=C(CC1CCN(Cc2ccccc2)CC1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074544761 FIUQBRLVJTUAJF-IPMKNSEASA-N 328.456 2.582 0 50 EFAA O=C(COc1ccccc1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565525949 YWMJHSHDPUDUFG-OALUTQOASA-N 341.407 2.556 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 408387251 VDUFWKODVIZFMJ-JONQDZQNSA-N 333.432 2.884 0 50 EFAA FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3csnn3)C2)c1 271839438 QNVYLJICODBMAH-SNVBAGLBSA-N 344.362 2.805 0 50 EFAA O=C(c1cnn(-c2ccc(Cl)cc2)c1)N(C[C@H]1CCCN1)C1CC1 186510954 ZWXHKNJKFZHEJM-OAHLLOKOSA-N 344.846 2.882 0 50 EFAA CCO[C@@H]1C[C@@](CO)(NC(=O)[C@@H](C)c2c(F)cccc2F)C1(C)C 188880779 ILGOVGDORRPNTA-FVMIAERFSA-N 341.398 2.751 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1 190475216 MSAKBHCDVLOHCY-OLZOCXBDSA-N 346.408 2.940 0 50 EFAA O=C(Cc1cccs1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529172528 JRHFOKDPMJCCSW-SJLPKXTDSA-N 342.464 2.575 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc4ccccc34)C[C@H]2O)n[nH]1 1529192329 SZVCTSMAHLUJQJ-DNVCBOLYSA-N 335.407 2.547 0 50 EFAA NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 445383 ZYEYHDUFVPOCOS-GXDHUFHOSA-N 345.196 2.705 0 50 EFAA Cc1cc(C)c(NC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c(C)c1 1772701832 BSKAWWBZFLDCTI-KDOFPFPSSA-N 332.400 2.567 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1CC[C@]2(CCCN(CC3CC3)C2)C1 11936442 SFSSTOIPJYAXES-FQEVSTJZSA-N 338.455 2.901 0 50 EFAA CCNC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(OC)cc2)C1 12387028 ICFUQGWFYIKFOG-KRWDZBQOSA-N 333.476 2.611 0 50 EFAA CN1c2cc(C(=O)NCCc3ccccc3)ccc2C(=O)N2CCC[C@@H]21 169765887 TXFFRGWUTHPWIN-LJQANCHMSA-N 349.434 2.671 0 50 EFAA COc1ccccc1CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 156141693 JUCDZOPBSBSSFZ-LPHOPBHVSA-N 332.444 2.574 0 50 EFAA CC[C@H]1OCC[C@@H]1C(=O)N[C@](CC)(C(=O)O)c1ccc(Cl)cc1 1857530670 BFRQMNMHQHHTJV-VBQJREDUSA-N 339.819 2.961 0 50 EFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1ccco1 116353022 DHDBESDRSWSQJY-CQSZACIVSA-N 349.408 2.967 0 50 EFAA COc1ncc(NC(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)cc1C(N)=O 119770967 GDFBCRIUTZJJBQ-IUODEOHRSA-N 348.447 2.868 0 50 EFAA O=C(c1cc2cc(Br)ccc2o1)N1C[C@@H](F)C[C@H]1CO 331425071 FMZCCFDFYYAPAA-QWRGUYRKSA-N 342.164 2.740 0 50 EFAA CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 126183637 SYZHIEUESQPNMZ-MRXNPFEDSA-N 331.460 2.642 0 50 EFAA COC(=O)[C@@](C)(CNC(=O)c1nnc(C(C)C)s1)c1ccccc1 241132861 JMKQOBXRTPMPFV-KRWDZBQOSA-N 347.440 2.522 0 50 EFAA CC(C)[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccnn1C 252510667 ZNXDJEVVFQECDX-CQSZACIVSA-N 336.480 2.759 0 50 EFAA COc1ccc(CC(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1OC 374243981 KVOJTIALCCKFSV-HUUCEWRRSA-N 333.428 2.805 0 50 EFAA OC[C@]1(c2ccccc2)CCCN(Cc2nnc3n2CCCCC3)C1 374558429 CANYHDQPPOZGHG-FQEVSTJZSA-N 340.471 2.531 0 50 EFAA O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@@H](Cc2ccncc2)C1 374691691 DXGGHUPQXQBRBB-HNNXBMFYSA-N 333.391 2.628 0 50 EFAA O=C(O)[C@@H](NC[C@@H]1CCCOC1)c1ccccc1Br 905399829 HDEMNHCCKWJOCM-GWCFXTLKSA-N 328.206 2.591 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc3c(ccn3C)c2)C[C@@H]1O 1704316669 ZMHLZVPHSVBFAG-HKUYNNGSSA-N 330.428 2.616 0 50 EFAA COc1ccc(C)c2c1N(C(=O)c1ccnc3c1ncn3C)CCC2 808359236 TUVLMKFTTXGLTC-UHFFFAOYSA-N 336.395 2.878 0 50 EFAA Cc1ccccc1[C@@H](O)CNC(=O)c1cc(C(F)(F)F)cnc1O 820935318 JYKMNJPAPIAYIK-ZDUSSCGKSA-N 340.301 2.578 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CSC[C@H]1CCCCO1 857938716 YVFBINSTXJGNHY-DZGCQCFKSA-N 348.468 2.658 0 50 EFAA CO[C@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1 1875286944 OEYBREZMLIWQOZ-FUHWJXTLSA-N 337.427 2.772 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)C[C@H](C)CC(F)F 1875279008 ILNYFZOEEPKMGB-SNVBAGLBSA-N 349.399 2.697 0 50 EFAA COCC1(c2nc(-c3[nH]nnc3-c3ccccc3)no2)CCCC1 1875273872 ZTLNDFZRSYQECS-UHFFFAOYSA-N 325.372 2.980 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(-c3cccnc3)c2F)cn1 1875381836 IZYQLAVVCNWRAO-GYCJOSAFSA-N 338.386 2.884 0 50 EFAA O=C(N[C@@H](CCO)c1ccc(F)cc1F)c1nccc2[nH]ccc12 1875334833 HBSXKYIBSBCBAD-HNNXBMFYSA-N 331.322 2.695 0 50 EFAA CC1(CCC(=O)N[C@H](CCc2c[nH]nc2C(F)(F)F)C(=O)O)CC1 1875321121 VJTKKEPIQFNBRT-SNVBAGLBSA-N 347.337 2.511 0 50 EFAA CN[C@@H](CNC(=O)c1cnn(C)c1Cc1ccccc1)c1ccccc1 1875358250 OVSRMPSFSMTNOO-IBGZPJMESA-N 348.450 2.701 0 50 EFAA Cc1cc(CN2CCCC[C@H]2CS(C)(=O)=O)c2c(n1)CCCC2 894730880 JOGMCMZGHGOXHA-INIZCTEOSA-N 336.501 2.668 0 50 EFAA O=C(CCc1ccccn1)NCc1cnc(Br)s1 408516094 NDNPRRYALFSRFN-UHFFFAOYSA-N 326.219 2.550 0 50 EFAA 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C[C@@H]1OCCN(C(=O)NCCc2ccccc2OC(F)(F)F)[C@H]1C 152320059 BXPROKLJQUEJCM-RYUDHWBXSA-N 346.349 2.947 0 50 EFAA C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(F)c1 266084384 VLSKVFIAJIXKEE-KSSFIOAISA-N 340.398 2.847 0 50 EFAA COc1ccc(/C=C/C(=O)Nc2c(O)cccc2C(=O)O)cc1OC 35941986 HUBVPPBIEOCMIE-VQHVLOKHSA-N 343.335 2.760 0 50 EFAA in-vitro Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(OC2CCCC2)cc1 901588985 VUJNFMMKINDRQW-UHFFFAOYSA-N 329.356 2.692 0 50 EFAA CS(=O)(=O)c1ccc(CN[C@H]2CCOC23CCCC3)cc1Cl 903161907 YBMCLDZBXMUJNL-HNNXBMFYSA-N 343.876 2.935 0 50 EFAA O=C(O)[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)[C@@H]2C1 903537980 JQDYCOWJRMGIGO-WTTBNOFXSA-N 345.420 2.617 0 50 EFAA O=C1C[C@@H](c2noc(-c3onc4c3CCCC4)n2)CN1CC1CCC1 904023870 ZCGBWGSOFNYAIX-GFCCVEGCSA-N 342.399 2.719 0 50 EFAA Cc1cnc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c(C)c1 843992583 XKRNQQUKPCHBKK-AWEZNQCLSA-N 338.411 2.719 0 50 EFAA COc1ccc(-c2ccnc(NC(=O)c3ncc(Cl)cn3)n2)cc1 1130817960 PKUVJXFWYDGCHZ-UHFFFAOYSA-N 341.758 2.848 0 50 EFAA C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1)n1cnc2ccccc21 852955822 CENLTEXTZCWBEC-BBRMVZONSA-N 349.390 2.808 0 50 EFAA C[C@H]1C[C@@H](CO)CN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 1875294595 KGUNHLHKRHDUBY-WDEREUQCSA-N 338.333 2.765 0 50 EFAA C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(F)c1)c1ccccn1 1875264585 NYSPEXRCNJTFBM-JTQLQIEISA-N 337.376 2.507 0 50 EFAA CC(C)[C@H](Nc1ccccc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 1875308277 XRFZFTZXKQJWPW-INIZCTEOSA-N 329.375 3.000 0 50 EFAA CC(C)Oc1cnc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1 1875305127 HTGDEVKOUKWLJP-ZDUSSCGKSA-N 328.420 2.643 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 1875305865 KTRAWISZSFIAIY-MAUKXSAKSA-N 331.416 2.547 0 50 EFAA CN1C(=O)C[C@@H](CNc2noc(-c3ccccc3)n2)[C@@H]1c1cccnc1 886031204 GMDUNZRZMLCIAT-RDJZCZTQSA-N 349.394 2.763 0 50 EFAA O=C(N[C@]1(c2ncc[nH]2)CCOC1)c1cccc(Cl)c1Cl 886093332 AMLLMLMWJZVAEQ-CQSZACIVSA-N 326.183 2.762 0 50 EFAA Cc1cccc(C2=CCN(C(=O)NCCN3CCCC3=O)CC2)c1C 895557322 CUZCRNDTSJEQPI-UHFFFAOYSA-N 341.455 2.725 0 50 EFAA C[C@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@@H](C)N1CC(F)(F)F 1774515542 SEIXMSAZQCFNEK-PHIMTYICSA-N 340.349 2.660 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2cc(C)nc(C3CC3)n2)C1 1775956959 HGQLZWSNDXTCEO-DOTOQJQBSA-N 340.427 2.730 0 50 EFAA CO[C@@H](CNC(=O)N(C)C1CCN(C)CC1)c1cccc(Cl)c1 1775991826 VSZSDPQQONLWHW-INIZCTEOSA-N 339.867 2.763 0 50 EFAA COc1ccc(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1 54505 QXGZTLMTSXFQOV-UHFFFAOYSA-N 345.351 2.592 0 50 EFAA biogenic O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 52052 XEAJWQGCAQKYFK-CYBMUJFWSA-N 330.334 2.634 0 50 EFAA Cc1cc(NC(=O)[C@@H](c2cccnc2)N2CCCC2)c(O)nc1C 2100544689 FMDJIZIJQLKLSZ-MRXNPFEDSA-N 326.400 2.575 0 50 EFAA CNC(=O)Nc1ccc(NC(=O)c2csc([C@H](C)OC)n2)cc1 2325744671 LUKHICQWNUEEQQ-VIFPVBQESA-N 334.401 2.854 0 50 EFAA CCOC1CC(N(C)c2cc(-n3nc(C)cc3C(F)F)ncn2)C1 2325764534 MEQYNQOCJHVXFN-UHFFFAOYSA-N 337.374 2.912 0 50 EFAA Cc1coc(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)c1 954173946 CUTVTUSXVPEJMS-JKSUJKDBSA-N 330.428 2.697 0 50 EFAA COc1ccc(Cc2nc(CCC=C(C)C)n(CCO)n2)cc1OC 2356157299 JGACNZSJIMFKTF-UHFFFAOYSA-N 345.443 2.777 0 50 EFAA CCc1ccc(OC[C@@H](O)CNC2CC(C)(C)NC(C)(C)C2)cc1 3683900 UDDXYEJJMSOPNQ-KRWDZBQOSA-N 334.504 2.888 0 50 EFAA COc1ccc([C@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1OC 3904821 HLBMHPXRVPUYOK-BFUOFWGJSA-N 342.395 2.969 0 50 EFAA CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc2c(c1)OCO2 4986092 YVGYUFFXKBGQMF-AWEZNQCLSA-N 343.379 2.898 0 50 EFAA COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 8272690 VLEJURPAIGAEMQ-HNNXBMFYSA-N 348.443 2.959 0 50 EFAA CCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1 8653697 CXJYYPNJIGUZTG-UHFFFAOYSA-N 342.420 2.739 0 50 EFAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1N1CCCCC1 225467423 UVFTXCVEMRORKI-HUUCEWRRSA-N 344.459 2.843 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)C1 113136414 ODQCULOJGXVZQM-MOPGFXCFSA-N 328.456 2.787 0 50 EFAA O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCCN2C2CCOCC2)C1 20515374 ZRWQLHOPZSAFBK-QUCCMNQESA-N 342.483 2.721 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)cc2F)[C@H]1Cc1ccccc1 20856312 YJLPNGOFJIDISZ-INIZCTEOSA-N 346.789 2.662 0 50 EFAA C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248377472 GSXHFSCBMQQOGG-AJBSGBCOSA-N 326.491 2.542 0 50 EFAA Oc1cc(-c2cccnc2)cc2c1OCCN(CC1CCNCC1)C2 67967606 XFDJVWVCBSHNBH-UHFFFAOYSA-N 339.439 2.648 0 50 EFAA CC(=O)NC[C@H]1CCCN(Cc2cc(C)n(-c3cccnc3)c2C)C1 67974739 DSHJCRGGSOZTFK-GOSISDBHSA-N 340.471 2.837 0 50 EFAA CC(C)CN(Cc1nn[nH]n1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 1364652648 VIOBBQMBVAKEKY-AWEZNQCLSA-N 343.431 2.529 0 50 EFAA COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2N(C)C)cc1 65362731 IYMNCJSJFTUQHJ-UHFFFAOYSA-N 341.411 2.715 0 50 EFAA CCCC[C@H](COC)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 252512034 LQTUHVIOFUUOGJ-ZCNNSNEGSA-N 334.504 2.664 0 50 EFAA Clc1snnc1CN(Cc1ccccn1)[C@H]1CCCNCC1 328607176 VCFKZZMBBCFJCX-ZDUSSCGKSA-N 337.880 2.731 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2 216489653 IPTWXPGQTUGMFC-HNNXBMFYSA-N 341.411 2.939 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C[C@H]3CCc4ccccc43)o2)N(C(C)=O)C1 328646494 SOUUMSVAGRZLPW-HLLBOEOZSA-N 341.411 2.650 0 50 EFAA Cn1ccc(CN[C@@H]2CCN(c3ccccc3Br)C2)n1 253418587 NXQCLGHBZLQFIC-CYBMUJFWSA-N 335.249 2.551 0 50 EFAA Cc1c(Br)cccc1CC(=O)N1CC[C@@H](O)C1(C)C 253430402 YYRGKWSXJNIZQD-CYBMUJFWSA-N 326.234 2.672 0 50 EFAA Cn1c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccc1-c1ccccc1 363565175 XIZRONIPGDMVRM-QGZVFWFLSA-N 337.423 2.575 0 50 EFAA Cc1nn(C)cc1N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 365002822 VTPDFWFNPFEDBI-HNNXBMFYSA-N 334.370 2.610 0 50 EFAA COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1 155549855 XBCGPRJWHOGTQW-HNNXBMFYSA-N 339.395 2.816 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1COCCN1CC1=Cc2ccccc2OC1 367447441 BSPBQRDTGZLAAO-QGZVFWFLSA-N 325.412 2.876 0 50 EFAA Cc1nccc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)O)C2)n1 71639326 LOVQNCZBEFDSTE-GOSISDBHSA-N 347.365 2.977 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1nc(-c2ccccc2)no1 72127143 YGGIEFRJFDWSCT-SFHVURJKSA-N 327.384 2.798 0 50 EFAA CN1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CC1=O 72410205 NGQXRFGXFAPSHR-UHFFFAOYSA-N 328.456 2.870 0 50 EFAA Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c(C)c1 158318640 URXTUBXKDATPQP-QAPCUYQASA-N 343.471 2.687 0 50 EFAA CCCN1CC2(CCN(C3Cc4ccccc4C3)CC2)C[C@H]1C(=O)O 72473977 MJQONDPYXVJLGI-IBGZPJMESA-N 342.483 2.805 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2sc(N)nc2C)[C@H](C)C1 77377080 LPNTXQQUDPRYGK-GFCCVEGCSA-N 330.457 2.693 0 50 EFAA COCCn1cncc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72172812 JZEYTFLWPYZBNO-QGZVFWFLSA-N 343.406 2.882 0 50 EFAA CCOc1ccccc1[C@H](C)NC(=O)[C@H]1COCCN1C1CCCC1 280967219 SRXCUHWQHJOMII-MAUKXSAKSA-N 346.471 2.906 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)Cn1cnc2ccccc21 77376597 SHOHHWDYXXXVEA-SFHVURJKSA-N 348.450 2.551 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)cc2)c1 282354432 FJUGIYHCLXUMEE-WMZOPIPTSA-N 329.371 2.711 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1cc(=O)[nH]c2ccc(F)cc12 84804162 DVDDNIYHIUQRIY-UHFFFAOYSA-N 343.358 2.635 0 50 EFAA COC(=O)[C@@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccsc1 239869335 CYJNCNVIDFVAHR-NSHDSACASA-N 332.410 2.935 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CC)C1 131361758 LTNOTCDKBKGDQN-NVXWUHKLSA-N 344.455 2.948 0 50 EFAA COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1F 284689714 JAHKRBBZJDEGOO-QGZVFWFLSA-N 333.407 2.825 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 241795533 RZZPUBTTXNAANK-AEFFLSMTSA-N 345.487 2.644 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)c(OC)c1 17066584 UITJUSMAEWCANG-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA CCn1nnnc1-c1cccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 131960707 MLFOBCSYQDSMQB-XJKSGUPXSA-N 343.431 2.894 0 50 EFAA CC(=O)c1cc(-c2cccc(C(=O)N3CCC[C@H](O)C3)c2)ccc1O 426472961 PEFRARANUSMVHV-KRWDZBQOSA-N 339.391 2.859 0 50 EFAA O=c1c2ccccc2ncn1CCN1CCS[C@@H]2CCCC[C@@H]21 177196181 USECPJFLHMONOD-DLBZAZTESA-N 329.469 2.757 0 50 EFAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCC(=O)N1CCCCC1 175356070 LRARXFZDHDPSFB-SJLPKXTDSA-N 343.471 2.977 0 50 EFAA O=C(c1ncc(F)cc1F)N1CCC2(CC1)CNc1ccccc12 221399488 PTBIIIVHMAROCZ-UHFFFAOYSA-N 329.350 2.959 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cccn1C1CC1 222370899 UALCLHXWNOJPCS-MJGOQNOKSA-N 340.423 2.927 0 50 EFAA CCn1c(C)cc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)c1C 223738827 WUGVLAOSYOFINH-LNLFQRSKSA-N 341.455 2.632 0 50 EFAA COc1ncccc1C(=O)N1CCC([C@H](O)c2cccs2)CC1 19761487 UMAQCUPAQIKKQY-HNNXBMFYSA-N 332.425 2.738 0 50 EFAA Cc1ccccc1N1CCN(C(=O)Cc2c(F)cccc2F)CC1=O 82119988 DSDSALKADIXBKU-UHFFFAOYSA-N 344.361 2.691 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nonc1C)n2C 91678604 OSGWJLUDFUKFOY-HNNXBMFYSA-N 340.383 2.856 0 50 EFAA Cc1ccc2nc(CCNC(=O)c3ccc4nccn4c3)[nH]c2c1C 91350908 SQHBQJDBKQBEGV-UHFFFAOYSA-N 333.395 2.800 0 50 EFAA CCCn1nc(C2(c3ccccc3)CC2)nc1Cn1nc(C)ccc1=O 96136915 WBZLSFRXVVYFGX-UHFFFAOYSA-N 349.438 2.681 0 50 EFAA CCOc1ccc([C@H](O)C2CCN(Cc3ccnn3C)CC2)cc1 291263842 NEBBCPSTEQMBLA-IBGZPJMESA-N 329.444 2.764 0 50 EFAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NS(C)(=O)=O)C1 91587516 CSSWVQAFYJHSRZ-AWEZNQCLSA-N 337.420 2.574 0 50 EFAA 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UZVCVQIIYDWSFS-CYBMUJFWSA-N 336.379 2.871 0 50 EFAA C[C@@H]1CCC[C@H](N2CCC(N[C@H]3CCO[C@@H]3c3nccn3C)CC2)C1 328644044 ROLVTMNTGGRROY-BVBHFADKSA-N 346.519 2.883 0 50 EFAA Cc1ccc2c(CN3CC[S@](=O)C[C@@H](C)C3)cc(=O)oc2c1C 253394350 GJIJWJZLVAPZPM-MYODQAERSA-N 333.453 2.610 0 50 EFAA O=C(O)CCc1ccc(-c2ccc(CN3CCOCC3)cn2)cc1 215754229 KSGWVVRXNMENTD-UHFFFAOYSA-N 326.396 2.598 0 50 EFAA Cc1c(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cnn1C 253415667 ZQFRXSDEQIRQDV-MSOLQXFVSA-N 342.443 2.526 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)ccn1 219730312 FNBFHBXKMXIABM-AEFFLSMTSA-N 341.455 2.673 0 50 EFAA C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 35093017 MNBQTFCXJCVEKS-GPMSIDNRSA-N 336.451 2.514 0 50 EFAA O=C(Cc1cccc(OCC(F)(F)F)c1)NC[C@H]1CCCC[C@@H]1O 126609894 DZCWISAPRVZYEP-HIFRSBDPSA-N 345.361 2.838 0 50 EFAA COc1cc(F)c(C(=O)N[C@H](C)c2cn3ncsc3n2)c(F)c1 219372416 RHVHQUHCCMFIIN-SSDOTTSWSA-N 338.339 2.569 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71682025 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KWZVUXMJNPMRPM-UHFFFAOYSA-N 336.395 2.820 0 50 EFAA O=C(NC[C@@H]1CCCOC1)c1cnc(Br)c(Cl)c1 284400979 TZRUZPOJCKZESD-QMMMGPOBSA-N 333.613 2.654 0 50 EFAA CCc1nsc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1 174246218 NGMLDNFQWNMCAS-UHFFFAOYSA-N 342.424 2.809 0 50 EFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC1CCCCCC1 222438745 JEUNPXYBTGRPPU-OFQRWUPVSA-N 339.505 2.551 0 50 EFAA COc1cccc(N2CCN(Cc3[nH]nc(C)c3Cl)[C@@H](C)C2=O)c1 97785117 PQJGWXPEFIXSKL-LBPRGKRZSA-N 348.834 2.617 0 50 EFAA CCNc1ncc(C(=O)NCc2cc(-c3ccccc3F)no2)cn1 92077114 UIXGONPCZFCGAG-UHFFFAOYSA-N 341.346 2.633 0 50 EFAA C[C@H](NC(=O)c1nn(C)cc1C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C 20617111 UJESYYKHGJLXKB-NEPJUHHUSA-N 336.480 2.749 0 50 EFAA COc1c[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1=O 97744855 BXJIKQRIHMRYSB-GFCCVEGCSA-N 326.396 2.753 0 50 EFAA CC(C)(C)c1ccc(OC[C@H](O)CNC(=O)NCc2ccco2)cc1 426500329 UKJSNUHVVYEHJE-OAHLLOKOSA-N 346.427 2.816 0 50 EFAA Cc1ccc(OC(C)(C)C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)cc1 91807424 TVMPWANSSSIGBQ-HXUWFJFHSA-N 344.455 2.623 0 50 EFAA O=C(NCc1ccccn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 91756611 BFSVSHCQFGETLK-OAHLLOKOSA-N 329.444 2.659 0 50 EFAA CCOC1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 96150587 FECGJFYKWCWILF-UHFFFAOYSA-N 325.412 2.965 0 50 EFAA Cn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 92098854 BIROLUFNTKWLSJ-HNNXBMFYSA-N 333.819 2.513 0 50 EFAA CN(CCC(=O)Nc1nccs1)Cc1n[nH]c2c1CCCCC2 244708167 KOWCNSDMGVKMQH-UHFFFAOYSA-N 333.461 2.596 0 50 EFAA C[C@@H](NC(=O)CCc1nc2cc(F)ccc2[nH]1)c1nc(C2CC2)no1 243892951 AMMCNEUHNVXTRR-SECBINFHSA-N 343.362 2.772 0 50 EFAA O=C(CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)NCC1CC1 183519227 MCEZENHWMJBPAR-UHFFFAOYSA-N 343.814 2.658 0 50 EFAA C[C@@H](C(=O)NCCn1cccn1)c1ccc(C[C@@H]2CCCC2=O)cc1 253395510 ALRJKGBQJJDYRB-QAPCUYQASA-N 339.439 2.715 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1C(C)C 32581015 QHSPBNKAIWUUBY-WBVHZDCISA-N 337.895 2.806 0 50 EFAA COCCOCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299773383 GMCCXRGYNSPRJF-BBWFWOEESA-N 343.427 2.926 0 50 EFAA Cc1nc(-c2ccc(NC(=O)CC[C@@H]3CCCCN3C)cc2)n[nH]1 566892540 XKIPJQRFGFRVKZ-INIZCTEOSA-N 327.432 2.983 0 50 EFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CCC2 828166627 LRPJCAWFPRQGLF-CQSZACIVSA-N 326.440 2.696 0 50 EFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H](O)c1ccccc1 827653547 CYXFJHJAQFHBEI-KRWDZBQOSA-N 343.814 2.999 0 50 EFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2CCOCC2)c(C)c1 670473279 BYBKUXGEVSTZHX-PIIMJCKOSA-N 344.455 2.614 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCC(C)CC2)cc1C 952983503 UBQUFNPBLSVUQT-HNNXBMFYSA-N 347.459 2.639 0 50 EFAA Cc1nc(-c2cccc(NC(=O)CCCN3CCCCC3=O)c2)n[nH]1 952967063 ZAQBPOWTFFCLGO-UHFFFAOYSA-N 341.415 2.511 0 50 EFAA CCc1nc(C[C@H](C)n2cccn2)n(-c2ccc(C(=O)O)cc2)n1 952873752 NVCVEEQYDYZMRH-LBPRGKRZSA-N 325.372 2.528 0 50 EFAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc2nn[nH]c2c1 408514847 JUCLMMLLRSABAY-UHFFFAOYSA-N 331.339 2.744 0 50 EFAA O=C(O)CN(Cc1ccccc1)C(=O)[C@@H]1CCOc2ccccc21 268899873 RYXRHWLCFOWHDH-MRXNPFEDSA-N 325.364 2.666 0 50 EFAA C[C@H](O)[C@H]1CCN(C(=O)Nc2ccc(F)c(Br)c2)C1 273309320 XKQYOGMYQMBIOI-IUCAKERBSA-N 331.185 2.823 0 50 EFAA Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ns1 277477332 BDTAIEXMTTXNNL-UHFFFAOYSA-N 339.411 2.934 0 50 EFAA C[C@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)[S@@](C)=O 170593657 HOTZCQMOYIVVQZ-JCQPUDPBSA-N 336.501 2.819 0 50 EFAA Cc1ccc2ncc(CN3CC[C@H](c4cc(O)nc(O)n4)C3)cc2c1 639713462 JEDGDONIVWWFPP-AWEZNQCLSA-N 336.395 2.734 0 50 EFAA Cc1cc(NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)[nH]n1 192259151 ZXCSJGJYNVVTHP-ZDUSSCGKSA-N 329.404 2.755 0 50 EFAA O=C(O)C1(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CCC1 649248235 PGLWLJDSGFTRSE-UHFFFAOYSA-N 344.342 2.884 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)C1 194691372 KDDGKHLNAIWWQK-IAGOWNOFSA-N 329.444 2.921 0 50 EFAA CC[C@H](OC1CCCC1)C(=O)N=c1cc[nH]cc1Br 330483332 UNRLSAMVHVEUTL-ZDUSSCGKSA-N 327.222 2.942 0 50 EFAA Cc1nn(C)c(CNC[C@@H]2CCOC3(CCC3)C2)c1Br 449480845 PIDBAHQXNAYGII-GFCCVEGCSA-N 342.281 2.930 0 50 EFAA CN(Cc1ccno1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12076112 FMGMNZSEKICTGG-AWEZNQCLSA-N 333.432 2.594 0 50 EFAA CC(C)C[C@@H](O)C1CCN(Cc2nc(-c3ccccn3)no2)CC1 12746169 USJDOUGDZZEDAJ-MRXNPFEDSA-N 330.432 2.751 0 50 EFAA CCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1OC 13945938 ZCBMKBITYBFIQM-UHFFFAOYSA-N 348.424 2.636 0 50 EFAA Cc1ccccc1NS(=O)(=O)NC(=O)c1c[nH]c2ccccc12 16578968 WNMNGTQMIWOGFD-UHFFFAOYSA-N 329.381 2.563 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3OC)CC2)cc1 19553150 ZSBFKNLOJVAEHQ-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA biogenic CCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OCC)CC[C@@H]1N 1857730232 NHDZLRFVJRUVAC-ZVZYQTTQSA-N 334.460 2.624 0 50 EFAA COc1cc(C(C)=O)ccc1OC[C@H](O)CNC1CCCCCC1 4839730 LZVZXIOBKNRPDY-QGZVFWFLSA-N 335.444 2.950 0 50 EFAA CCOC(=O)Cn1c([C@H]2CC(=O)N(CC(C)C)C2)nc2ccccc21 7425193 HWZKHEOAJLEFMD-AWEZNQCLSA-N 343.427 2.571 0 50 EFAA N[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccccc1 237804821 HBIJBKZDKOVPFH-IAGOWNOFSA-N 330.815 2.940 0 50 EFAA COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1noc2c1CCCC2 155692469 RUQFXOBVPCZFLT-ZDUSSCGKSA-N 342.395 2.757 0 50 EFAA O=C(Cc1ccncc1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 374478999 MODUECPDHSDGNA-SFHVURJKSA-N 330.815 2.796 0 50 EFAA COc1ccc([C@@H]2CCCN2Cc2n[nH]c3c2COCC3)c(OC)c1 929139698 VHVQFMCSWLHAHZ-SFHVURJKSA-N 343.427 2.837 0 50 EFAA COc1cc(C(=O)N2CC(OCc3cccc4ccccc34)C2)ncn1 933853528 RSRNAMIUUAOHAE-UHFFFAOYSA-N 349.390 2.680 0 50 EFAA CN(C)C[C@H]1CN(C(=O)c2cc3ncccc3o2)c2ccccc2O1 934735851 RGFXOKWIHGHKGM-ZDUSSCGKSA-N 337.379 2.797 0 50 EFAA Cc1occc1C(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 952994611 RKYVDDNEUKYGCW-LLVKDONJSA-N 342.321 2.891 0 50 EFAA CN(C(=O)c1nnc2ccccc2n1)C(C)(C)CN1CCCCCC1 1875276134 UGLAHDNZKJZQRI-UHFFFAOYSA-N 341.459 2.751 0 50 EFAA COC(=O)/C=C/CCNC(=O)c1sc(-c2ccc(C)o2)nc1C 1875311820 NKOQXEMTYZOBEJ-GQCTYLIASA-N 334.397 2.869 0 50 EFAA CC[C@@H]1CCCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875301048 BBUFBPCGXQTRTF-QXSJWSMHSA-N 344.521 2.858 0 50 EFAA Cc1ncccc1Cc1noc(Cc2cnn(-c3ccccc3)n2)n1 1875312610 GMVHQPVWGKRGBU-UHFFFAOYSA-N 332.367 2.535 0 50 EFAA O=C1CCN(C[C@@H]2CCCCS2)C(=O)N1Cc1conc1C1CC1 2325779499 KIFUVTPCIZVGPT-AWEZNQCLSA-N 349.456 2.992 0 50 EFAA COC[C@@H](Nc1nc(C)cc(C(=O)OC)n1)c1ccc2[nH]ccc2c1 2325784391 ZAZZXVWXOKWWKY-MRXNPFEDSA-N 340.383 2.853 0 50 EFAA CC(C)[C@@H](C(=O)O)N(Cc1ccccn1)C(=O)[C@H]1CC1(Cl)Cl 2325812845 LWYNGWXPNYAZBR-NEPJUHHUSA-N 345.226 2.713 0 50 EFAA O=C(NC1CC2(CCNC2=O)C1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 2325814942 QSIIIUGVNGMQBT-UISNHOIMSA-N 349.434 2.664 0 50 EFAA CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 245894232 CTGZFZCIOWEPLI-FHLIZLRMSA-N 343.448 2.589 0 50 EFAA CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 304431 LKQCULAVYARNQS-UHFFFAOYSA-N 332.425 2.856 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 619522 HNKAZURZHUEXIF-UHFFFAOYSA-N 343.379 2.873 0 50 EFAA COc1nccn2c(-c3ccc([C@@H](C)N4CCOCC4)cc3)cnc12 2356145970 ZCJGSGMZNUEDDX-CQSZACIVSA-N 338.411 2.798 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4577264 AYEXSTRNLGYBSQ-LBCOYRJHSA-N 348.483 2.889 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(CC(C)C)n2C)cc1 6701174 DRCFXVRUTSPZBW-UHFFFAOYSA-N 334.445 2.753 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)c1cccc(NS(C)(=O)=O)c1 10328298 RGFQIBWVDNNNEJ-CQSZACIVSA-N 346.452 2.809 0 50 EFAA COc1ccccc1CONC(=O)c1cccc(N2CCOC2=O)c1 225625434 NIPOBQYJTBXIOZ-UHFFFAOYSA-N 342.351 2.513 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)CCc2cc(O)no2)cc1Cl 55131379 YMUPOBMRFVCAMR-UHFFFAOYSA-N 337.763 2.953 0 50 EFAA Cc1csc(C2(NC(=O)c3ccc(C(N)=O)s3)CCCC2)n1 112598217 HLVPHYYASFZMMW-UHFFFAOYSA-N 335.454 2.811 0 50 EFAA Cc1ccc(CN2CCN(C/C=C/c3ccco3)C[C@H]2CCO)o1 105283551 VIZMSSQKZKWAMN-NKEDHYFDSA-N 330.428 2.763 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)NCCSc3cn[nH]n3)c(C)c2c1 67818678 ZMIPZLIAYAZNPP-UHFFFAOYSA-N 329.429 2.733 0 50 EFAA c1ccc(-n2nc(C3CC3)nc2[C@H](Cc2c[nH]cn2)n2cccc2)nc1 67920901 WVPORSAAMGAAJD-INIZCTEOSA-N 345.410 2.896 0 50 EFAA Cc1cnn(CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 67769937 YSJNSFHIUBBFCL-MRXNPFEDSA-N 333.819 2.835 0 50 EFAA CCc1ncc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cn1 119087398 FTFVQPHFGOHIKE-LBPRGKRZSA-N 347.369 2.718 0 50 EFAA COc1cc2ncn([C@@H](C)Cc3cccc(C)n3)c(=O)c2cc1OC 32578128 DLSPFCDWMPUDED-ZDUSSCGKSA-N 339.395 2.921 0 50 EFAA COc1cccnc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67675232 LEJAWLZQWSATKN-HNNXBMFYSA-N 332.787 2.957 0 50 EFAA CN(C)CCCNC(=O)c1cc(C(=O)Cc2ccc(Cl)cc2)c[nH]1 5659085 MVRBEGGWIUWYER-UHFFFAOYSA-N 347.846 2.775 0 50 EFAA CC(C)C(=O)c1cnccc1NC(=O)C[C@H](C)N1CCCCC1=O 253393024 OIESIWGQDRVFNL-ZDUSSCGKSA-N 331.416 2.650 0 50 EFAA Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2cncc(-c3ccccc3)n2)C1 253420406 VBCUONTWEOIMRL-LPHOPBHVSA-N 349.438 2.827 0 50 EFAA COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@@](C)(OC)CC1)C2 279853916 IJOXSYICTNWTHN-DNVCBOLYSA-N 348.443 2.599 0 50 EFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cscn3)CC2)cn1 328654242 XIHZDLKZENMEJV-ZDUSSCGKSA-N 345.472 2.711 0 50 EFAA Cc1noc([C@@H](Nc2nccc(C(F)(F)F)n2)C2CCOCC2)n1 328609992 GJNZICMVPQQVAK-NSHDSACASA-N 343.309 2.767 0 50 EFAA O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(-c2ncc[nH]2)c1 216378104 IBQVMULHUGDMOL-AWEZNQCLSA-N 341.436 2.719 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CC=CCC1 328629802 PEPLNVHGDXHWTQ-SOLBZPMBSA-N 330.476 2.618 0 50 EFAA Cc1cc(C)n2ncc(CN(C)C[C@H]3Cc4ccccc4CN3C)c2n1 215455022 UNWBQNPXQGYNEG-HXUWFJFHSA-N 349.482 2.835 0 50 EFAA CC(C)(C)c1cnc(NC(=O)N2CCC(F)(F)[C@@H](CO)C2)s1 361761537 YRACPWSTTNIVTK-SECBINFHSA-N 333.404 2.922 0 50 EFAA C[C@H](CN1CC2(CCN(CC(C)(C)N)CC2)OC1=O)c1ccccc1 72428967 HSMCTZQRAGAZJF-MRXNPFEDSA-N 345.487 2.814 0 50 EFAA CSc1nc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)cs1 219702256 LQDLNDMMTPAUAJ-GFCCVEGCSA-N 348.497 2.906 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)c1 72121834 CRCNAYMBVREXGP-SFHVURJKSA-N 348.468 2.638 0 50 EFAA Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 154554737 BKQBNKAYJFEPGE-ZIAGYGMSSA-N 326.400 2.651 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2C[C@H]2COCCO2)c1 71749828 HJFLTSRDIJKWOL-INIZCTEOSA-N 338.411 2.768 0 50 EFAA COc1cc(-c2noc([C@@H]3CCCN3c3nccs3)n2)ccn1 125594729 DPGWGANADGJJHF-NSHDSACASA-N 329.385 2.938 0 50 EFAA C[S@](=O)c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 438764828 GKEMZAAQUCTWEX-QFIPXVFZSA-N 346.433 2.773 0 50 EFAA O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](OCC2CC2)C1 364844194 FWJLBZUHEZZTTJ-QGZVFWFLSA-N 325.412 2.904 0 50 EFAA C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)c2cccnc2O1 374418666 FCCKAWSIXRHGMV-JTQLQIEISA-N 341.392 2.554 0 50 EFAA Nc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)ccn1 72475221 GUZCQFQDSSIASK-AWEZNQCLSA-N 325.347 2.657 0 50 EFAA O=c1cc(CN2C[C@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)[nH]c2ccnn12 374844103 JUSYTWSERIXCLH-UVFQYZLESA-N 334.423 2.996 0 50 EFAA CCN1C[C@]2(CCCN(C(=O)c3ccc(C)cc3O)C2)CCC1=O 72428768 LDZJKDHCNITKED-IBGZPJMESA-N 330.428 2.565 0 50 EFAA Cc1ncncc1C(=O)N1CCCN(CCCc2ccccc2)CC1 77505589 GHQRERBRXPBIKI-UHFFFAOYSA-N 338.455 2.566 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)NCCc3csc(N)n3)c2c1 77287072 DDXWXRLROJVZPH-UHFFFAOYSA-N 326.425 2.863 0 50 EFAA Cn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cccc1=O 239366888 AGOINWHXHCERAN-SFHVURJKSA-N 332.831 2.989 0 50 EFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3nc4n(n3)CCCC4)C2)cc1 333660906 MCRVMTYNYGFWCO-HOCLYGCPSA-N 339.443 3.333 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 283357187 YGWHWLKRYCBJBC-ZIAGYGMSSA-N 333.457 2.827 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cncc(-c3ccccc3)c2)N(C)C1 284651360 NGLLOPXGXZKMJN-OALUTQOASA-N 339.439 2.540 0 50 EFAA CCN1CCC[C@@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 82127657 JZBBNJNZLDZCPF-MRXNPFEDSA-N 342.487 2.617 0 50 EFAA Cc1ccc2nc(NC(=O)C3CCN(C(=O)N(C)C)CC3)sc2c1 47987184 FAEZEOMIJJYBDU-UHFFFAOYSA-N 346.456 2.937 0 50 EFAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCc1csnn1 497173647 WECAEPYOHMUJIH-WZRBSPASSA-N 326.466 2.662 0 50 EFAA Cc1csc2nc(CNC(=O)c3cc(=O)c4ccccc4o3)cn12 222762307 BRQGZDHSCYHNPO-UHFFFAOYSA-N 339.376 2.741 0 50 EFAA Cc1onc(N)c1S(=O)(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 289759347 GVWXWYIHFSHHST-HUUCEWRRSA-N 345.424 2.574 0 50 EFAA Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)s1 177951508 MNKJJWPICPEOKK-STQMWFEESA-N 347.440 2.917 0 50 EFAA CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2ncccn2)cc1 426470494 CDXDXHOTGBVBOQ-UHFFFAOYSA-N 325.412 2.911 0 50 EFAA O=C(COc1cccc(F)c1)N1CCC[C@H](OCc2cccnc2)C1 91931137 TVTPPTRTDCHTAR-SFHVURJKSA-N 344.386 2.807 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCC(c3cc[nH]n3)CC2)n1 426678261 YRFVFHRCXVYZRY-ZDUSSCGKSA-N 345.472 2.703 0 50 EFAA CC[C@@H](C)Oc1cc(C(=O)NCc2csc(COC)n2)ccn1 290924421 LDPNVVYCKJANIG-LLVKDONJSA-N 335.429 2.792 0 50 EFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(Cc1nccs1)C2 95369656 ZFYQQLBAVFXGOM-GDBMZVCRSA-N 327.453 2.880 0 50 EFAA COc1c(F)ccc(F)c1C(=O)N1CC[C@](CO)(c2ccccc2)C1 291074127 BHFBPFUTVMVYLK-IBGZPJMESA-N 347.361 2.750 0 50 EFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91725077 YSVIEIVYTOHFOF-HNNXBMFYSA-N 327.428 2.834 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cn1 95367939 KJZRQRBBLGAPBC-AWEZNQCLSA-N 327.432 2.836 0 50 EFAA Cc1nnc(CCNC(=O)COc2ccc(Cl)cc2Cl)s1 92078457 PLBIHTNAHUPSGK-UHFFFAOYSA-N 346.239 2.891 0 50 EFAA Cc1cnn([C@H](C)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 92002610 XYCSDEVHKIFOHF-OAHLLOKOSA-N 346.862 2.750 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)NC2(c3cccc(Cl)c3)CC2)C1 97594920 ZTWCGCWRAPXHJM-INIZCTEOSA-N 336.863 2.945 0 50 EFAA COc1ccccc1-n1cc(CN(Cc2nccn2C)C2CC2)cn1 97347112 PQNRBMUKNUOINI-UHFFFAOYSA-N 337.427 2.779 0 50 EFAA Cc1cc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 179840066 RPHCFTSJOZELQG-MRXNPFEDSA-N 338.411 2.560 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1C 92037356 WCIACLZIOMCYOW-FZKQIMNGSA-N 337.485 2.877 0 50 EFAA Cc1cc(N2CCN(Cc3cc(-c4ccncc4)no3)CC2)ccn1 244884015 YDOGPNGTYQBBJP-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA C[C@@]1(O)CCCN(C(=O)NCc2cccc(C(F)(F)F)n2)CC1 298171988 QUMPSSYNJCESCG-CQSZACIVSA-N 331.338 2.547 0 50 EFAA CC(=O)N[C@H](Cc1ccc(OCc2ccccc2)c(C)c1)C(=O)O 255190780 ZJGKPCPELKXBBY-QGZVFWFLSA-N 327.380 2.706 0 50 EFAA CNc1nc(NCc2c(C)cc(C)nc2OC)cc([C@H]2CCOC2)n1 299783221 ZXCXIORZSKOTOW-ZDUSSCGKSA-N 343.431 2.655 0 50 EFAA COc1cccc(SCC(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 952964452 OFPRIZCLQXZEBX-AWEZNQCLSA-N 334.485 2.873 0 50 EFAA CCc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1 186145419 MVOBOICKHQDWQH-UHFFFAOYSA-N 333.413 2.576 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC2CCCC2)C1 276657917 YOIPHKACUHERMO-GOSISDBHSA-N 330.476 2.735 0 50 EFAA C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2O1 170639883 XKVANNDJKHGSDL-LLVKDONJSA-N 344.342 2.780 0 50 EFAA COc1cc(NC(=O)N2CCO[C@@H](c3nccs3)C2)ccc1F 187107175 UYICMNMNDAXRGC-CYBMUJFWSA-N 337.376 2.896 0 50 EFAA C[C@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccc2ccccc2c1 634636967 MVPQUBIDRGPEPV-KXBFYZLASA-N 329.440 2.783 0 50 EFAA CC(C)c1nnnn1CC(=O)Nc1ncc(-c2ccc(F)cc2)s1 191720287 LMJVTCYOXMJIFG-UHFFFAOYSA-N 346.391 2.698 0 50 EFAA Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)CCCC(=O)O)c1 645983811 QLAPMMIEBSXWJA-OAHLLOKOSA-N 325.430 2.635 0 50 EFAA CN(Cc1cscn1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 194272408 LGGXRSVTRPNQHT-INIZCTEOSA-N 344.484 2.949 0 50 EFAA CC(=O)c1cc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1C 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KZWIDWDBHCRWLT-XLKFXECMSA-N 347.795 2.598 0 50 EFAA O=C(c1cc[n+]([O-])cc1)N1CCC[C@H](CCc2cccc(F)c2)C1 11813251 ZAAXEAKZPHLIDO-MRXNPFEDSA-N 328.387 2.944 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@H](CCc2ccc(OC)cc2)C1 12385908 MUMMWILEUJRHIU-MRXNPFEDSA-N 333.428 2.820 0 50 EFAA CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C(C)C 12654879 UEQWEEQMLOQBAD-UHFFFAOYSA-N 333.388 2.758 0 50 EFAA Cc1ncoc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 12744896 KRZNGRUNCKGQEV-HNNXBMFYSA-N 335.367 2.642 0 50 EFAA S=C(NCCN1CCOCC1)Nc1ccc(Cl)c(Cl)c1 19790977 ACKFKMWZVQMORT-UHFFFAOYSA-N 334.272 2.612 0 50 EFAA CC[C@]1(c2ccccc2)C(=O)N(CN2CCCCC2)C(=O)N=C1O 19799255 ZTYRCJNTGWMELW-GOSISDBHSA-N 329.400 2.697 0 50 EFAA Cn1cc(C(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)c2ccccc21 216206169 QQUAWPQDOIZAQU-WBVHZDCISA-N 349.390 2.514 0 50 EFAA Nc1nccc([C@@H]2CCCN(C(=O)c3coc(C4CCCC4)n3)C2)n1 329043306 FALALUOJAVUZED-CYBMUJFWSA-N 341.415 2.724 0 50 EFAA Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 332208661 FTVKRAZNOZLXPP-UHFFFAOYSA-N 335.429 2.551 0 50 EFAA Cc1ccc2c(c1)cc(C(=O)N1C[C@H](C(=O)O)[C@@H](C3CC3)C1)n2C 248093112 WMTXTLKPGCRHJZ-CABCVRRESA-N 326.396 2.670 0 50 EFAA CN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C(=O)O)cc1 390534328 ZQIYCNRBKIXGNA-INIZCTEOSA-N 331.393 2.693 0 50 EFAA Cc1cccc2oc(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)cc12 821385866 OPYCCZHWEUGCLC-GFCCVEGCSA-N 338.367 2.565 0 50 EFAA COC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1O)C1CCOCC1 824770943 ACZDNGVHABWUBM-ZDUSSCGKSA-N 348.226 2.870 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2nccc3occc23)C1 829993170 SQAFBIDSXHYNKZ-CYBMUJFWSA-N 337.379 2.845 0 50 EFAA C[C@@H](Nc1ccc2nnc(C(F)F)n2n1)c1cc2n(n1)CCCC2 952881957 KVBZEIPNXCBOMX-SECBINFHSA-N 333.346 2.768 0 50 EFAA CCC(CC)C(=O)N[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 952847267 LRDDRJPQCHJYJB-LJQANCHMSA-N 332.444 2.658 0 50 EFAA CNc1nc(C)ccc1C(=O)N1CCCN(c2ccc(F)cc2)CC1 1875270486 NZVHHFATIXQOFA-UHFFFAOYSA-N 342.418 2.923 0 50 EFAA CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1 1875267884 SXRBWLORSVDEPI-UHFFFAOYSA-N 343.412 2.738 0 50 EFAA Cc1cnc(NC(=O)c2cc(Cl)nc(N3CCOCC3)c2)cc1C 1875297125 CTAQKNQSTFOARZ-UHFFFAOYSA-N 346.818 2.836 0 50 EFAA C[C@@H]1CC[C@]2(CN1C(=O)c1cccn3nncc13)OCc1ccccc12 1875297864 GKXIRDXBLLUXNK-JLTOFOAXSA-N 348.406 2.780 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1 1875254255 NFVNTKXBOSCFLP-UHFFFAOYSA-N 328.368 2.624 0 50 EFAA C[C@@H](OC(=O)[C@H]1CC(=O)Nc2ncccc21)c1nc2ccccc2[nH]1 1875344832 PGXBUIOKTHBCQH-PWSUYJOCSA-N 336.351 2.688 0 50 EFAA O=C(NCCn1cc(-c2ccccc2)nn1)c1cc(F)cc(F)c1 1305800660 WAHWPMVEDPISHI-UHFFFAOYSA-N 328.322 2.653 0 50 EFAA Cc1nc(-c2cnc(-c3ccccc3)n2C)n(C2CCN(C)CC2)n1 2100537727 SFSITLCZRLRDOQ-UHFFFAOYSA-N 336.443 2.921 0 50 EFAA Cc1nc2ccccc2nc1NCc1ccc(O[C@@H]2CCNC2)nc1 2325754064 SXYOAKFZBKWSTG-OAHLLOKOSA-N 335.411 2.686 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCOc3ccccc32)c1 2325785268 MVJAREIAFJHGHT-LBPRGKRZSA-N 342.370 2.611 0 50 EFAA CCN(C(C)=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(C)(C)C)CN2)cn1 2325795851 AIUSVYQSZQNNBA-GOEBONIOSA-N 346.475 2.807 0 50 EFAA CN(C)Cc1cncc(NC(=O)c2cc3ccnc(Cl)c3[nH]2)c1 2325857740 NJKQGHJBQVKTGT-UHFFFAOYSA-N 329.791 2.925 0 50 EFAA C[C@H]1CCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)CCN1 2325866645 TZFFDQBCRFCJIC-INIZCTEOSA-N 347.466 2.852 0 50 EFAA N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=O)c(F)c1 151007367 KCEGFMGIEJBNBC-UHFFFAOYSA-N 339.731 2.931 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 139395 UAPVNFMBJDWHRK-UHFFFAOYSA-N 328.755 2.965 0 50 EFAA Cc1ccc(CNC(=O)CN2N=C(c3ccccc3)CCC2=O)cc1 219616 USQWJEITKJLJPQ-UHFFFAOYSA-N 335.407 2.638 0 50 EFAA COc1cc(C(=O)NC(=S)Nc2ccccc2)cc(OC)c1OC 309572 MRDYMGWMSSGWIR-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 311288 LFSDXLXLPAGPHE-UHFFFAOYSA-N 338.436 2.984 0 50 EFAA CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 444319 MHZRSCFZMPLHEI-UHFFFAOYSA-N 346.452 2.962 0 50 EFAA COc1ccc(CCN2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1OC 468130 CDBCXNPTQKHZNJ-CABCVRRESA-N 329.396 2.588 0 50 EFAA COC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(F)cc1 529092 GKSIPEUZXCXJEO-MRXNPFEDSA-N 342.395 2.929 0 50 EFAA COc1ccc(-c2n[nH]c(SCC(=O)N3CCC(C)CC3)n2)cc1 6154795 APCMYSJQWKAMQS-UHFFFAOYSA-N 346.456 2.831 0 50 EFAA Fc1ccc(OCc2nnc3sc(-c4ccccn4)nn23)cc1 6743161 ZDLGPHFDXVZCGQ-UHFFFAOYSA-N 327.344 2.966 0 50 EFAA Cc1ccccc1-n1cc(C(=O)Nc2ccc(C(N)=O)cc2F)cn1 225435509 WKUDZBSEGNRKHQ-UHFFFAOYSA-N 338.342 2.671 0 50 EFAA C[C@H]1CN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)CCO1 249122366 XIGNULMFSQLJRM-ZFWWWQNUSA-N 345.468 2.681 0 50 EFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 101170831 BYIIOLNFLNQKTM-IPMKNSEASA-N 347.418 2.531 0 50 EFAA c1cnn(C2CN(C3CCN(c4ccc(-c5ccn[nH]5)cc4)CC3)C2)c1 23192186 RICCZAVSLAFRCP-UHFFFAOYSA-N 348.454 2.799 0 50 EFAA CCc1c(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)csc1C 67692440 HMPKFFXNCIFVGL-UHFFFAOYSA-N 349.544 2.861 0 50 EFAA C[C@H](O)CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67805083 SNYWXXDVUXWBNQ-NSHDSACASA-N 334.803 2.683 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c(OC)c1 348264642 UUBAQWXKHZFFKU-YOEHRIQHSA-N 345.370 2.791 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCC1Cc2ccccc2C1 348684595 BDLRFLQCIPTXJI-IBGZPJMESA-N 334.419 2.955 0 50 EFAA Cc1cc(C(N)=O)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 67339104 ZRZNCGVBQSREKM-UHFFFAOYSA-N 338.816 2.572 0 50 EFAA Cc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 350092077 ZHSJGNJVTCDJMQ-RYUDHWBXSA-N 339.461 2.855 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)nc1 20599930 GGYKHFWZAVLAQY-MRXNPFEDSA-N 346.427 2.680 0 50 EFAA CCOc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 119142246 IIEPOXYNZNNDAP-CQSZACIVSA-N 343.379 2.792 0 50 EFAA O=C(NCc1csc(-c2ccco2)n1)N1CC[C@H](N2CCCC2)C1 121473943 LJPCOZWTZKSTAI-AWEZNQCLSA-N 346.456 2.783 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(Cl)cc2)n1 72117759 XJHQATZZFJGLII-UHFFFAOYSA-N 333.823 2.712 0 50 EFAA Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 74715142 NXKBPGZQDHACPZ-UHFFFAOYSA-N 336.347 2.562 0 50 EFAA in-vitro C[C@H]1CN(c2ccnc(Cc3ccccc3)n2)C[C@]2(CCCOC2)O1 253432204 WZHOLRUUDYPTQM-JXFKEZNVSA-N 339.439 2.842 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(-n2cccn2)cc1 72147394 FCQOQABPKGABOJ-LJQANCHMSA-N 325.412 2.934 0 50 EFAA C[C@@H](NCCN1CCCOCC1)c1ccc(OCC2CC2)c(F)c1 361348274 JBTGVCKKQAOUIK-OAHLLOKOSA-N 336.451 2.987 0 50 EFAA CC(C)=CCCN1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 72423792 RROANYZDYGAOAA-KRWDZBQOSA-N 330.476 2.849 0 50 EFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CCOc2cccc(F)c2C1 367292123 PKHGBJZPDIFLJD-MRXNPFEDSA-N 333.334 2.810 0 50 EFAA C[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1nnc2n1CCCC2 368186031 YPDXFEXMNQRWHF-SNVBAGLBSA-N 327.388 2.588 0 50 EFAA Cc1nc(COc2cccc(C(=O)N3C[C@H](CN)C[C@H]3C)c2)cs1 261994977 PIGDSMAQNPJZTM-OCCSQVGLSA-N 345.468 2.840 0 50 EFAA COCCc1noc(-c2ccc(N(C)Cc3ccnc(C)c3)nc2)n1 72475354 QMOTWFNUNJNJET-UHFFFAOYSA-N 339.399 2.660 0 50 EFAA Cc1nnc(CCNC(=O)c2ccc(N3CCCCC3)cc2)s1 216052174 XEFSPDOWSIVBDE-UHFFFAOYSA-N 330.457 2.809 0 50 EFAA Cc1c(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)O)cnn1-c1ccccc1F 262863054 AVBQAMIRLKNDEN-MEDUHNTESA-N 345.374 2.645 0 50 EFAA COc1cc([C@@H](C)NCCCNC(=O)c2cccs2)c(F)cn1 287570662 GTFRBCPXBJYNBE-LLVKDONJSA-N 337.420 2.762 0 50 EFAA Cc1cc(C)c(NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)c(Cl)c1 282748442 JWYDAGLXAXVJTA-CQSZACIVSA-N 349.862 2.686 0 50 EFAA Cc1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(C)c1 282894710 ZPWAHRYDFYIMNU-UHFFFAOYSA-N 336.501 2.693 0 50 EFAA CC(=O)c1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1 82097054 DBUCXYHZPMGFJP-UHFFFAOYSA-N 336.391 2.687 0 50 EFAA O=C(N[C@@H](c1nccs1)C1CC1)c1ccc(N2CCOC2=O)cc1 173671073 QHUKFTIOKMDRQA-CQSZACIVSA-N 343.408 2.981 0 50 EFAA COc1ccc2[nH]c(C(=O)N(C)CCCc3nccn3C)cc2c1 223600932 WJHSHLKZNPWILE-UHFFFAOYSA-N 326.400 2.615 0 50 EFAA CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 17070866 JITIJKRLSWQMRN-QWRGUYRKSA-N 337.397 2.919 0 50 EFAA Cc1nnsc1C(=O)N1CCc2[nH]nc(CC3CCCCC3)c2C1 82039354 VCZRKQSRIAJMKE-UHFFFAOYSA-N 345.472 2.891 0 50 EFAA O=C(COc1ccc(CN2CCCCCCC2)cc1)N1CCOCC1 220712962 JCJOECWCZOEGFP-UHFFFAOYSA-N 346.471 2.690 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl 285219886 PSHQMZIMSMIVQT-CQSZACIVSA-N 339.848 2.908 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1 426615105 JKDKVUSLMRXUTF-KRWDZBQOSA-N 348.406 2.581 0 50 EFAA O=C(NCCNc1cc(N2CCCC2)ncn1)c1ccccc1Cl 82230401 UIUJETSWIGWNMB-UHFFFAOYSA-N 345.834 2.572 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCN(c3ccccc3F)C2)cc1 289430312 DDQCIXSCOLDIFK-LPHOPBHVSA-N 342.414 2.810 0 50 EFAA Cc1cc(N2CCCN(C(=O)NCc3cccc(F)c3)CC2)ccn1 426401997 SAJAAKJJLLNMOR-UHFFFAOYSA-N 342.418 2.951 0 50 EFAA Cn1cc(CCN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 91690898 AAGGEAOKJIAAQE-FQEVSTJZSA-N 344.503 2.610 0 50 EFAA CC1(C)CNC(=O)c2nc(-c3ccc(N4CCCC4=O)cc3)[nH]c2C1 95379066 GNYWUSWUDICNGR-UHFFFAOYSA-N 338.411 2.516 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCCN1Cc2ccccc2C1 95372674 FRMVUMUKGFNZFH-LJQANCHMSA-N 329.488 2.773 0 50 EFAA CNC[C@@H]1CCN(C(=O)CCc2ccc(Br)c(C)c2)C1 178985181 XXOUTNPAPYAZOF-AWEZNQCLSA-N 339.277 2.758 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1N(C)C 92001504 YZLRIHGQEPKLCL-IEBWSBKVSA-N 340.471 2.984 0 50 EFAA CCC[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)c1nn(C)cc1Cl 91663169 BQXBGWUDDYEABO-ZFWWWQNUSA-N 338.883 2.704 0 50 EFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1nn(C)c2c1CCCC2 97797587 JGOCXKKAGIBXHC-GOSISDBHSA-N 340.471 2.674 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1CCn1ccnc1 91621263 FWUMOZHPOSDFEV-CYBMUJFWSA-N 336.823 2.929 0 50 EFAA COc1ccc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c(C)c1 244882804 XZGNFWJIEKQUMU-BXWFABGCSA-N 340.423 2.511 0 50 EFAA Cn1ccnc1[C@H](NC(=O)Nc1nc(C2CC2)cs1)C(C)(C)CO 297597105 FPZVHZFHOSVMSE-LBPRGKRZSA-N 349.460 2.635 0 50 EFAA C[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1cnn(-c2ccc(F)cc2)c1 252485176 GOSTWSNNVKVFJN-XNJGSVPQSA-N 331.391 2.740 0 50 EFAA O=C(c1cnn2cccnc12)N1CCC(Cc2cccc(F)c2)CC1 298768734 DACUBDAGRHAABD-UHFFFAOYSA-N 338.386 2.963 0 50 EFAA Cc1cc(NC(=O)NCCn2cc(Cl)cn2)n([C@H](C)C2CC2)n1 299794150 IGWQPMLSRXEISM-LLVKDONJSA-N 336.827 2.834 0 50 EFAA C[C@@H](CCC(=O)Nc1ccccc1CN1CCCC1)N1CCOCC1 952860153 GNYSCZMKLLBMIN-KRWDZBQOSA-N 345.487 2.722 0 50 EFAA Cc1ccccc1[C@@H](C(=O)N1CCN(Cc2ccco2)CC1)N(C)C 952965657 QRESJQSVQOGQQD-IBGZPJMESA-N 341.455 2.535 0 50 EFAA COCCOc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 268943613 MSYJQQLFSQDKPI-XIRDDKMYSA-N 347.411 2.570 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nncn2C2CC2)CC1 408474906 XPVXDASHJYKRPU-SJORKVTESA-N 346.475 2.770 0 50 EFAA COCC1(O)CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 270374380 NRAWDLUHHTUIAI-KRWDZBQOSA-N 346.471 2.982 0 50 EFAA CN(CC(=O)OC(C)(C)C)C(=O)C[C@@H]1OCCc2ccsc21 170621088 XAPZQHCVUORVFL-LBPRGKRZSA-N 325.430 2.552 0 50 EFAA Cc1sc2nc([C@H](C)N3CC(=O)N(CC4CC4)C3)nc(O)c2c1C 279138558 XBBSHTBLVWMRMJ-JTQLQIEISA-N 346.456 2.586 0 50 EFAA COc1cccc([C@H](C(=O)O)N(C)Cc2ccc3c(c2)OCCO3)c1 634690551 NTJHSCZGMKZGGH-GOSISDBHSA-N 343.379 2.724 0 50 EFAA CO[C@@]1(c2nnc(CN3CC(C)(C)Oc4ccccc43)o2)CCOC1 644254967 SHPYPANUVSUEIM-SFHVURJKSA-N 345.399 2.509 0 50 EFAA O=C(O)c1coc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 191667339 QAPOAVLDIKXSAT-GXTWGEPZSA-N 337.278 2.516 0 50 EFAA C[C@@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CCc2ccccc21 648718410 IDGNXOYNYWCBAO-OAQYLSRUSA-N 335.451 2.630 0 50 EFAA COc1c(C)cnc(CN[C@@H]2CCC(=O)N(CC3CC3)CC2)c1C 1506429131 VNSBXAFOSHQIQF-MRXNPFEDSA-N 331.460 2.588 0 50 EFAA CN1CCC(CNC(=O)c2ccc(F)c(O)c2)(c2ccccc2)CC1 1434237256 LXOLVFFZMAYPPO-UHFFFAOYSA-N 342.414 2.925 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1C(=O)O 216944876 JDWSPZOQSZHJFW-OLZOCXBDSA-N 329.318 2.964 0 50 EFAA O=C(NCc1ccccc1)c1cc(Cn2cnc3ccccc32)[nH]n1 12210625 OQAHQAYAGAKKKC-UHFFFAOYSA-N 331.379 2.738 0 50 EFAA CN1CCCN(c2ncccc2CNC[C@@H]2CCOC(C)(C)C2)CC1 15076053 IXRNBBSEKXLTPY-QGZVFWFLSA-N 346.519 2.518 0 50 EFAA Cc1ccc(-c2csc3ncc(C(=O)N4CCCC4)c(=O)n23)cc1 16647605 ZWPXIUZTIROSRY-UHFFFAOYSA-N 339.420 2.967 0 50 EFAA Cn1ccnc1CN1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 19771194 UUWKMXYFRHENBJ-HNNXBMFYSA-N 328.464 2.581 0 50 EFAA Cc1ccc(COc2ccc(CNCCN3CCOCC3)cc2)cc1 19872421 VCYRDTFCMUBOEY-UHFFFAOYSA-N 340.467 2.996 0 50 EFAA Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857529458 WCJGBLDPVBKOHR-SCLBCKFNSA-N 326.400 2.777 0 50 EFAA Cc1cccc2cc(-c3nccn3[C@@H]3CCC(=O)N(C)C3)c(O)nc12 1857687595 VNGGZNHHMCVHSS-CQSZACIVSA-N 336.395 2.906 0 50 EFAA COc1ncc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc1Cl 408473860 NJAYTFSSAPIOEE-LBPRGKRZSA-N 335.795 2.538 0 50 EFAA CC(C)[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)C(=O)O 225446343 HOKAAMBWRCKXLX-LLVKDONJSA-N 339.189 2.769 0 50 EFAA CCOc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ncn1 123423461 CZBRUTLVAJAROF-UHFFFAOYSA-N 344.390 2.870 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 237249101 CQHNYNNGXVJYTC-SFHVURJKSA-N 325.456 2.802 0 50 EFAA CCc1ccc([C@@H](COC)NC(=O)c2cnc3n[nH]c(C)c3c2)o1 132334158 KMFKFYOLAIDUAN-CQSZACIVSA-N 328.372 2.539 0 50 EFAA O=C(NC[C@@H](CO)CC1CCCCC1)c1ccc2c(c1)OCCO2 252478480 ANHWBNSWAVAVQO-HNNXBMFYSA-N 333.428 2.767 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)c1cccc(F)c1 152037059 LAQPZHJINSCASX-DYVFJYSZSA-N 329.371 2.830 0 50 EFAA C[C@]1(CNC(=O)[C@@H]2C[C@@]2(C(=O)O)c2ccccc2)CC1(Cl)Cl 905115339 ITMUAQRZURKFEF-NILFDRSVSA-N 342.222 2.729 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)NCc2ccc(F)c(F)c2)CC1 840984897 WMWSXQUYLCIWNO-LLVKDONJSA-N 326.343 2.751 0 50 EFAA Cn1ccc([C@@H]2CCCN(C(=O)c3coc4cc(O)ccc34)C2)n1 830059943 ACLYZQCWDCKPTQ-GFCCVEGCSA-N 325.368 2.892 0 50 EFAA CCc1ncc(NC(=O)NCC[C@@H]2OCCc3ccccc32)cn1 930494428 XINAXGDRXMDPNP-INIZCTEOSA-N 326.400 2.865 0 50 EFAA C=CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1120463411 YJQBHXOXJLINGN-FMIVXFBMSA-N 336.800 2.679 0 50 EFAA CN(C)Cc1ccc(-c2noc(COc3ccc(CO)cc3)n2)cc1 863950384 QUWZZSGUHVRRAB-UHFFFAOYSA-N 339.395 2.870 0 50 EFAA NC(=O)CC1CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C1 867948161 PFFNCMVIVXJKOX-JKSUJKDBSA-N 334.847 2.948 0 50 EFAA Cc1ccc(CCNc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 952883049 MIGMHFURWNWECF-QGZVFWFLSA-N 347.484 2.823 0 50 EFAA O=C1CCCN1CCc1nc(-c2cc(Br)no2)cs1 952993121 CZJALZWNJKICLM-UHFFFAOYSA-N 342.218 2.726 0 50 EFAA C[C@]1(c2ccccc2)C[C@H]1C(=O)NCCc1nc2c(s1)COCC2 952995076 CGTLTARXHXBNRZ-IFXJQAMLSA-N 342.464 2.852 0 50 EFAA CN(CC(=O)O)C(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 1875263665 UVAYRMUCKIHWTK-BQYQJAHWSA-N 344.392 2.557 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2c2ccc(=N)[nH]n2)cc2cccnc12 1875325828 UZNKUTOWOWIFNI-INIZCTEOSA-N 333.395 2.723 0 50 EFAA Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H](C)c1cc(O)n[nH]1 1875334651 XURDMOMXXISXGH-MRVPVSSYSA-N 330.319 2.709 0 50 EFAA CCC[C@]1(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)CCOC1 1771699145 ACBHWRLOFNUWAN-IBGZPJMESA-N 340.427 2.834 0 50 EFAA C[C@@H](c1ccc(CN2CCC[C@](O)(C(=O)O)C2)cc1)C(F)(F)F 1775989690 FYBFLKBEDACDCB-XHDPSFHLSA-N 331.334 2.764 0 50 EFAA COc1cccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c1 202666 QPYXDYFTEKSINJ-RDTXWAMCSA-N 333.384 2.525 0 50 EFAA biogenic Cc1nc2ccccc2nc1NCc1ccc(O[C@H]2CCNC2)nc1 2325754063 SXYOAKFZBKWSTG-HNNXBMFYSA-N 335.411 2.686 0 50 EFAA O=C(NCCc1ccc(Cl)s1)[C@@H]1CC[C@H](C2CCNCC2)O1 2325768330 FSZHGMJQWYDYDC-KGLIPLIRSA-N 342.892 2.607 0 50 EFAA Cc1ccccc1-n1cc(CN2CCC3(CC2)CC(C(=O)O)C3)nn1 2325787291 PZGAFWKDSSLOOM-UHFFFAOYSA-N 340.427 2.653 0 50 EFAA N[C@@H]1CN(C(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccccc21 2325857613 IXDKBBBAXPXUFK-CYBMUJFWSA-N 326.787 2.872 0 50 EFAA COc1ccc(C[C@@H](C)c2nc(Cc3cn[nH]c3)no2)cc1OC 864096794 HSIAMLORPBFLIJ-LLVKDONJSA-N 328.372 2.747 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 176591 QLPHPTMTNGKARV-UHFFFAOYSA-N 338.835 2.944 0 50 EFAA COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1 205660 FDXQXSCHIZXDIE-UHFFFAOYSA-N 334.401 2.993 0 50 EFAA COc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 240348 OBUXPVKWDKYIIA-UHFFFAOYSA-N 340.408 2.520 0 50 EFAA COc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl 310220 BTIHIHBWVGQIIQ-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA COc1ccc([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1OC 2585842 NOEVPXYRCVCOIV-LLVKDONJSA-N 325.361 2.744 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@H]21 2356169511 CZZCAXOGYNTBND-GHJWDPDVSA-N 326.824 2.660 0 50 EFAA COc1cccc(OCCOCCOc2cc(C=O)ccc2OC)c1 2985159 GFIJIZKHEALUEF-UHFFFAOYSA-N 346.379 2.991 0 50 EFAA CCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 4842433 DVENTXCPNSQRSP-UHFFFAOYSA-N 341.411 2.981 0 50 EFAA CC(C)(C)c1nnc(NC(=O)NC[C@@H]2COc3ccccc3O2)s1 56737305 LBEBHUXMVVMBEF-SNVBAGLBSA-N 348.428 2.797 0 50 EFAA COCCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 225622076 OQGXVIBHLVRCIG-JQHSSLGASA-N 347.455 2.868 0 50 EFAA CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100839829 UINUDCUQSYPASO-OTRWWLKZSA-N 339.391 2.955 0 50 EFAA Cc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 55060332 IDMUDEKAYJFIRL-SFHVURJKSA-N 337.467 2.994 0 50 EFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cc(=O)c2ccccc2o1 67956416 SWRMKJUNNYESDA-UHFFFAOYSA-N 347.330 2.773 0 50 EFAA COc1ccc(C)cc1NC(=O)CNC[C@@H]1CCCN2CCCC[C@H]12 63882512 ZJCCSYUQYSCPGY-FUHWJXTLSA-N 345.487 2.796 0 50 EFAA CCCc1noc(CN2CCCN(Cc3ccc(F)cc3)CC2)n1 20514830 FBVXMEQHOBEBIH-UHFFFAOYSA-N 332.423 2.869 0 50 EFAA C[C@H]1C[C@H](NC(=O)NC[C@](C)(O)c2ccccc2Cl)C[C@@H](C)O1 248785207 IHBDSLYZBMDIHU-LKQDWFRTSA-N 340.851 2.803 0 50 EFAA CCCN1CCC[C@@H](CNC(=O)C2CCN(C3CCCC3)CC2)C1 67818438 OGZREDMETRJAQQ-KRWDZBQOSA-N 335.536 2.879 0 50 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341.463 2.827 0 50 EFAA O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CCCC[C@@H]1c1ncc[nH]1 180872983 HWHMYXVUQYIOIR-HUUCEWRRSA-N 348.447 2.722 0 50 EFAA Cc1cc(NC(=O)CN(C)[C@@H](C)Cc2cnccn2)ccc1Cl 252509873 YXGSESOQCHTIDP-ZDUSSCGKSA-N 332.835 2.940 0 50 EFAA Fc1cccnc1OC1CCN(Cc2nc(-c3ccoc3)no2)CC1 447352469 ATGKXMWGDBOIKQ-UHFFFAOYSA-N 344.346 2.907 0 50 EFAA C[C@H](C(=O)O)[C@@H](C)NC(=O)CCc1cc(Br)cs1 263452639 OLAINFDPTVLQTR-JGVFFNPUSA-N 334.235 2.669 0 50 EFAA CC[C@@H](NC(=O)N(CCOC)Cc1cccs1)c1ccnn1C 534575963 NCUOTDVNRNINRZ-CQSZACIVSA-N 336.461 2.791 0 50 EFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)c1 263618568 UJYQLIQTIQAOEN-LJQANCHMSA-N 348.406 2.591 0 50 EFAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)c1 299787824 RCZJYUDASVRGBO-QGZVFWFLSA-N 341.411 2.768 0 50 EFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(c3nccs3)C2)C1(C)C 1076080092 NNPZSPFXYHMDHK-SCLBCKFNSA-N 349.500 2.648 0 50 EFAA COc1ccc2cc(S(=O)(=O)N(C)Cc3c[nH]nc3C)ccc2c1 952985973 CFFULZMEHQZESI-UHFFFAOYSA-N 345.424 2.701 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2[nH]1 952990774 WYQDOKKMVNFYBO-JTQLQIEISA-N 348.366 2.654 0 50 EFAA Cc1csc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 1565515937 JOUGYVBQBFTREM-KGLIPLIRSA-N 332.425 2.531 0 50 EFAA Cc1c(N(C)CC2(O)CCCC2)nn2c(C(F)(F)F)nnc2c1C 270789852 RDESTRICAFFRRP-UHFFFAOYSA-N 343.353 2.501 0 50 EFAA CCn1cc(CNC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)nn1 661717658 GNJCWUIZDDILFF-MLGOLLRUSA-N 331.395 2.730 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2N)CC1 703545031 QJPZBBPWAGKURK-UHFFFAOYSA-N 346.353 2.740 0 50 EFAA Cc1ccc(C)c(CSCc2nnc(S(C)(=O)=O)s2)c1 188313783 LKIIBSRFEGAVRK-UHFFFAOYSA-N 328.484 2.992 0 50 EFAA COC(=O)C1(NC(=O)c2oc(CC3CC3)nc2C)CCCCCC1 195579120 JFZZLGPDKIMXPO-UHFFFAOYSA-N 334.416 2.931 0 50 EFAA C[C@H](NC(=O)Nc1ccc2nccn2c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653538695 DGKHMNLMOZCXCV-WCFLWFBJSA-N 330.388 2.591 0 50 EFAA O=C(c1csc2ccccc12)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616078430 PCVJGOYYBLNVRE-YOEHRIQHSA-N 342.464 2.837 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn4c3NCCC4)cc2)n1 1506407495 JRHOFESTGSSUSC-UHFFFAOYSA-N 336.399 2.754 0 50 EFAA O=C(Cc1ccsc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529089565 ABTNQDDAZJHUOD-QZTJIDSGSA-N 342.464 2.575 0 50 EFAA COc1cccc(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1529168129 WISHNBLUSFPUQB-USTZCAOPSA-N 330.472 2.815 0 50 EFAA O=C(CCN1CCCCO1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529151122 FEMMIGYPFNAQTD-RBUKOAKNSA-N 344.455 2.783 0 50 EFAA CCn1ccnc1-c1nccn1-c1ccc2c(c1)nc([C@@H](C)O)n2C 1772818143 NCZZQVOEZGVBGD-GFCCVEGCSA-N 336.399 2.696 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc(OC(F)(F)F)c1 1772812972 SIUQGNHKMSFMOA-YPMHNXCESA-N 328.334 2.780 0 50 EFAA Cn1cc(CCC(=O)NCc2cccnc2Oc2ccccc2)cn1 11665003 CYOMFSCWZOROSQ-UHFFFAOYSA-N 336.395 2.856 0 50 EFAA C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1N 15011334 QZNWCSWJOCOBJF-BETUJISGSA-N 345.472 2.541 0 50 EFAA C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[S@]1=O 1857533389 CIIJCJIUSRRBJL-TXZPTVCRSA-N 340.411 2.658 0 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Cc1nccn1C[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 225596984 OGLCMXIPMLOJQO-ZDUSSCGKSA-N 326.429 2.774 0 50 EFAA O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCc2ccccc21 103748 QCPWWWBTUSZYMF-UHFFFAOYSA-N 334.375 2.652 0 50 EFAA CC[C@]1(C(=O)c2ccccc2)C(=O)N=C(O)N(c2ccccc2)C1=O 438000 WCMUFBCNVBVYPG-IBGZPJMESA-N 336.347 2.753 0 50 EFAA NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1 2228928 KYBLETXRWFZIMH-UHFFFAOYSA-N 335.879 2.646 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 104327890 HANGWELBRLMRKY-WZGPROSRSA-N 331.371 2.642 0 50 EFAA Fc1cc(F)c2c(c1)CN(Cc1nc(-c3cccnc3)no1)CC2 225480850 VHXIGOREFUQCAY-UHFFFAOYSA-N 328.322 2.968 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2cc(F)ccc2o1 117747281 YOCLCZSMGKHEJR-HNNXBMFYSA-N 338.338 2.624 0 50 EFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCNC(=O)CC1 55118843 QEDHJNSYRQTUIM-UHFFFAOYSA-N 332.787 2.871 0 50 EFAA CS(=O)(=O)c1ccc(-n2nc(C3CC3)nc2[C@@H]2CCCCO2)cc1 65395535 BKLCQBAGNUQYGF-HNNXBMFYSA-N 347.440 2.790 0 50 EFAA Cc1cc(=O)oc2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)ccc12 67679235 LUCFADQGUAKRNN-HNNXBMFYSA-N 328.412 2.590 0 50 EFAA CC(C)(C)c1cc(CN2CCc3[nH]cnc3[C@H]2c2ccncc2)n[nH]1 67909268 DECGQHIDFROLQD-GOSISDBHSA-N 336.443 2.973 0 50 EFAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2ccc(CO)o2)C1 20451744 BYVKLVMFOKJPPU-SFHVURJKSA-N 328.456 2.911 0 50 EFAA Cc1cccc(-n2nc(C)nc2-c2ccc3c(c2)ncn3CCO)c1 65393740 YBKUDHFPCUBAPP-UHFFFAOYSA-N 333.395 2.893 0 50 EFAA CCN(CCOc1cccc(Cl)c1)C(=O)c1ccc(=O)n(C)c1 65419331 WJLBATNUYKKCKX-UHFFFAOYSA-N 334.803 2.580 0 50 EFAA COCc1nc(CNC2CCN(c3cccc(C)c3C)CC2)no1 67851943 FGVACRLEPSIGAY-UHFFFAOYSA-N 330.432 2.591 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(NCC(C)(C)C)nc2)no1 20783947 YBEIVEHDYNABNP-UHFFFAOYSA-N 331.420 2.976 0 50 EFAA Cc1nc(C(C)C)cc(N2CCC([C@@H](O)c3nccn3C)CC2)n1 65423466 BVVVCGUTGQESEM-QGZVFWFLSA-N 329.448 2.592 0 50 EFAA O=C(C[C@H]1CCC(=O)N1)NCc1ccc2[nH]c3c(c2c1)CCCCC3 12298081 BLGBUMSQBVXQDS-CQSZACIVSA-N 339.439 2.722 0 50 EFAA Cc1ccccc1Cn1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cn1 205174 FXDHGAUQECTXSQ-IAGOWNOFSA-N 339.395 2.845 0 50 EFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 253432612 LQRNDWMJQVLXPS-RPLLJCPNSA-N 332.419 2.569 0 50 EFAA CN(C(=O)[C@H]1Cc2ccccc21)C1CCN(CCc2ccccn2)CC1 353782144 ZSMRFKXBGLWRPE-NRFANRHFSA-N 349.478 2.887 0 50 EFAA Nc1ccc(N[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)CC2)cn1 328644069 RPTZKTXQTILETO-MRXNPFEDSA-N 342.418 2.839 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CCCn3cncc3C2)cc1 72430603 MTNFNCARXZYWMZ-UHFFFAOYSA-N 327.428 2.633 0 50 EFAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H]1CCN(c2ccccc2Cl)C1=O 230086624 BYAAMSOURFESRN-JMSVASOKSA-N 332.831 2.950 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1CCC(=O)O 314955515 QWVOWLPHVUHXPR-LBPRGKRZSA-N 331.821 2.666 0 50 EFAA C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1 230102173 BKTKSJPNZKAOGX-YYTXDEJISA-N 346.471 2.798 0 50 EFAA O=C(NO[C@H]1CCCCO1)N[C@H](Cc1ccccc1)C(F)(F)F 121123790 DBIONQWWSJQFMP-OLZOCXBDSA-N 332.322 2.917 0 50 EFAA COCC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCC1 77489426 UOAPTAJBKOVECL-UHFFFAOYSA-N 336.863 2.801 0 50 EFAA CCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CNC3)C1 72132941 KPMNJNWZLGAXTM-HNNXBMFYSA-N 339.443 2.537 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@]2(CCOC2)C1 153770822 REUPXHUXJNRKLS-QGZVFWFLSA-N 332.425 2.893 0 50 EFAA Cc1ncsc1CCN(C)C(=O)CCc1ccc2c(c1)OCO2 72478977 VTGUXKSEQJGJNV-UHFFFAOYSA-N 332.425 2.814 0 50 EFAA OC1(c2cccnc2)CCC(NCc2ccc(-c3cc[nH]n3)o2)CC1 366023298 JJLGAYKXLPYXCH-UHFFFAOYSA-N 338.411 2.985 0 50 EFAA CCc1nccn1CCC(=O)NCCc1nc2cc(C)c(C)cc2[nH]1 219214968 NYCHNOMJCMDZIK-UHFFFAOYSA-N 339.443 2.688 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1n[nH]c2ccccc12 215216117 TVERGYMXYRTPFH-UHFFFAOYSA-N 333.351 2.885 0 50 EFAA COc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1OC 71375975 ZJMGKJPHNJQKGQ-UHFFFAOYSA-N 333.351 2.871 0 50 EFAA CCC(CC)N1C[C@@H](C(=O)N[C@H]2COc3ccc(C)cc32)CC1=O 156117898 UIUOFSLEFKYUBD-BBRMVZONSA-N 330.428 2.582 0 50 EFAA CC(C)N(C(=O)Cn1cnc2cccc(F)c2c1=O)C1CCCC1 332190996 WYIONCGALZNAIJ-UHFFFAOYSA-N 331.391 2.715 0 50 EFAA O=C1NC[C@@]2(CCCN(Cc3cc4c(cc3Cl)OCO4)CC2)O1 72159451 QATQSFFMYGPAKJ-INIZCTEOSA-N 338.791 2.533 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)no2)C1 77436898 XZFPLYYEXQBXBE-CQSZACIVSA-N 337.383 2.569 0 50 EFAA O=C(CCC(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1)c1ccccc1 262972304 KABJUKQVCKUOKG-HNNXBMFYSA-N 343.301 2.515 0 50 EFAA O=S(=O)(CC12CCC(CC1)CC2)NCc1nnc(C2CC2)s1 333930496 ZEHPOPYKXNONQC-UHFFFAOYSA-N 341.502 2.805 0 50 EFAA C[C@@H](OCc1ccccc1)C(=O)N1C[C@H](C(=O)O)c2ccccc21 281284164 DUCRRYROWPKHSN-CJNGLKHVSA-N 325.364 2.807 0 50 EFAA Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@H]1CCCC[C@H]1O 281352075 OIJASSVYPPOHBA-WMLDXEAASA-N 328.416 2.821 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 237941220 BYJIWXZMQDMAIE-AWEZNQCLSA-N 345.374 2.871 0 50 EFAA O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(C2CC2)on1 240333413 FDACDDQXIUKKRZ-UHFFFAOYSA-N 345.443 2.853 0 50 EFAA O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 241588106 OZRPIRKCJGJNFT-RBSFLKMASA-N 339.395 2.655 0 50 EFAA COC(=O)C[C@H]1CCCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 242302092 YPLOGASOWNCELM-CQSZACIVSA-N 347.390 2.587 0 50 EFAA Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C 283379481 CZQBINSCYNMSBB-ZDUSSCGKSA-N 326.322 2.720 0 50 EFAA O=C(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)Nc1nccs1 287623001 ZVEAUNDGSLJAHE-GFCCVEGCSA-N 347.444 2.959 0 50 EFAA COc1cccc([C@@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)c1 263581482 XFUKJFPWVKULFU-SFHVURJKSA-N 327.380 2.967 0 50 EFAA COc1cccc([C@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)c1 263581481 XFUKJFPWVKULFU-GOSISDBHSA-N 327.380 2.967 0 50 EFAA O=C(CCCOc1ccccc1)N[C@H]1CCOC2(CCOCC2)C1 221219313 YIVXGFMWUPPMEY-INIZCTEOSA-N 333.428 2.690 0 50 EFAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc(Cl)cc1OCCCN 426421709 BFTBEFONFPWXCQ-NSHDSACASA-N 337.807 2.889 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1 20614298 YPHISNZXFTWZPR-UHFFFAOYSA-N 327.837 2.511 0 50 EFAA Cc1ccccc1[C@H](C(=O)N(C)CC(=O)c1ccc(O)cc1)N(C)C 95527303 RIFNHZQHVVTOFB-LJQANCHMSA-N 340.423 2.645 0 50 EFAA Cc1csc(CNC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)n1 426395951 MKZHTBDDOGFZCT-HNNXBMFYSA-N 346.456 2.737 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 230067165 WHIUIPRZFXECTC-CABCVRRESA-N 339.457 2.644 0 50 EFAA Cc1nc(N2CCc3nnc(C(C)C)n3CC2)c2sccc2n1 91858376 DHQPIKZVLKUVJB-UHFFFAOYSA-N 328.445 2.777 0 50 EFAA Nc1ncccc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91663837 JGYDRKHGTHBQKI-UHFFFAOYSA-N 342.487 2.811 0 50 EFAA Cn1cc([C@]2(CNC(=O)c3ccccc3C(F)F)CCCO2)cn1 1439905558 RRHNRRMWHWHSAL-QGZVFWFLSA-N 335.354 2.793 0 50 EFAA c1cnn(CC[C@H]2CCCCN2Cc2nc(-c3ccncc3)no2)c1 244817034 STGCPZOFXDANTH-MRXNPFEDSA-N 338.415 2.773 0 50 EFAA CC[C@H](c1ccccn1)N(C)CC(=O)Nc1c(C)nn(CC)c1C 244828603 TZEPMFQYCCNAHD-MRXNPFEDSA-N 329.448 2.936 0 50 EFAA Fc1ccccc1OC1(c2nc([C@H]3CN4CCC[C@H]4CO3)no2)CC1 346805306 ZLKAYWNCUZJALT-SWLSCSKDSA-N 345.374 2.813 0 50 EFAA O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCCO1 252507582 WOVBIQUYFURWSE-QWHCGFSZSA-N 325.206 2.590 0 50 EFAA CC(=O)N[C@H](C)CC(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1 1940195696 ZSLPNGBQROXWHN-GFCCVEGCSA-N 348.834 2.746 0 50 EFAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 299761082 QZWOETONVJQDCU-CYBMUJFWSA-N 325.416 2.979 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)nc(C)n1 825264410 DTBPASODGXEVSU-LBPRGKRZSA-N 339.374 2.909 0 50 EFAA O=C(c1cccc(-c2cnc3ncnn3c2)c1)N1CCC(F)(F)CC1 584885970 GFFNSHCFQJVIPI-UHFFFAOYSA-N 343.337 2.663 0 50 EFAA CO[C@H]1COC[C@@H]1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 584895249 LPPUFBMNUKJKLS-GJZGRUSLSA-N 342.798 2.567 0 50 EFAA CCOc1ccccc1C(=O)N1CCCN(C(=O)C2CC=CC2)CC1 940574549 FLLPZLVHCKVNAG-UHFFFAOYSA-N 342.439 2.726 0 50 EFAA O=C(CCCN1CCCC1=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 952978304 QMRNQGUNWIYZOC-KRWDZBQOSA-N 346.427 2.586 0 50 EFAA CC(=O)N(C)Cc1cn([C@H](C)c2ccccc2Br)nn1 899729875 DCLNFAVDXUGQTR-SNVBAGLBSA-N 337.221 2.628 0 50 EFAA CC(C)CNC(=O)c1ccc(NC(=O)c2cnc3c[nH]nc3c2)cc1 1469548285 GCBHORACSALPBJ-UHFFFAOYSA-N 337.383 2.596 0 50 EFAA CCc1ccc2occ(C(=O)N[C@@H](CCSC)c3nn[nH]n3)c2c1 408517370 DCAVVHBWHISUGT-ZDUSSCGKSA-N 345.428 2.733 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H]2CCOc3ccc(F)cc32)C1 271527048 REVCRQFNLSGGQW-NFAWXSAZSA-N 327.421 2.595 0 50 EFAA Cc1sc2nc(S[C@@H]3CCN(C4CC4)C3=O)nc(N)c2c1C 170019409 OERHNWNHYKREJB-SNVBAGLBSA-N 334.470 2.746 0 50 EFAA CC(C)(C)OC(=O)N1CC(NC(=O)c2cc3ccccc3cc2O)C1 170632769 JHDBHEDMXRINSA-UHFFFAOYSA-N 342.395 2.895 0 50 EFAA O=C(NCc1ccncc1)c1ccc(NC(=O)c2cscn2)cc1 170603891 OIBFSWYJONAHLJ-UHFFFAOYSA-N 338.392 2.720 0 50 EFAA CC(C)N1CCN(CCCN2CCO[C@](C)(c3ccccc3)C2)CC1 192758231 RBMWEBGILSAAIO-NRFANRHFSA-N 345.531 2.650 0 50 EFAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CSCCS1 193219835 CZVYNMKDRIUAHC-MRXNPFEDSA-N 336.526 2.616 0 50 EFAA Cc1ncccc1OC[C@H]1CCCN1Cc1cc2n(n1)CCCC2 649631854 PPEWOCXTXJFPSR-GOSISDBHSA-N 326.444 2.966 0 50 EFAA O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccn(CC(F)F)n1 194460269 CAALVGCFOPOVBA-GFCCVEGCSA-N 339.317 2.931 0 50 EFAA CCS(=O)(=O)Nc1ccc(CNC(=O)c2cccn2C(C)C)cc1 195547398 MQWBRAVGZPSDBV-UHFFFAOYSA-N 349.456 2.761 0 50 EFAA O=C(c1ccoc1)N1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506412375 CWINNNSMLIGUIJ-LJQANCHMSA-N 339.439 2.706 0 50 EFAA COc1cccc(SCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1529098460 GLWWGHYPYOEZCD-NMWPEEMBSA-N 335.469 2.795 0 50 EFAA COc1cccc([C@@H]2CCN(c3ncc(C(C)=O)c(C)n3)C2)c1OC 1704313658 LSBJKEQOZRQZHM-CQSZACIVSA-N 341.411 2.999 0 50 EFAA Cc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c2cc(F)ccc2n1 1704313595 RKCFOANENDGAFX-WOJBJXKFSA-N 343.446 2.965 0 50 EFAA c1ccc(-c2noc(CN(CC3CCC3)C[C@@H]3CCCO3)n2)nc1 12570316 FYCLAVMDEQVSLG-HNNXBMFYSA-N 328.416 2.913 0 50 EFAA Nc1ncc(CN2CCC(CO)(CCCc3ccccc3)CC2)cn1 12710416 YJTIXLOZUYCCLO-UHFFFAOYSA-N 340.471 2.656 0 50 EFAA CC(C)C(=O)O[C@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1 13973998 TZDUHAJSIBHXDL-LBPRGKRZSA-N 329.393 2.683 0 50 EFAA fda O=C(NCC[C@H]1CCCCO1)c1cn(CCCc2ccccc2)nn1 15071895 RELAYGVOPCDTKA-QGZVFWFLSA-N 342.443 2.600 0 50 EFAA CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1 16648612 VXPNXAWBHYWSCX-UHFFFAOYSA-N 329.381 2.836 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3cccc4ccnn34)CC2)O1 1857672999 LECRHTNTXHSKFL-MSOLQXFVSA-N 329.444 2.619 0 50 EFAA CN(Cc1ccc2ccccc2n1)[C@H]1CCOC2(CCNCC2)C1 1857680619 QKDDMNXVBVPUIJ-SFHVURJKSA-N 325.456 2.968 0 50 EFAA CC[C@]12COC(=O)N1CCN(CCOc1ccccc1OC(C)C)C2 1857694444 ORCYRPILMGGASB-IBGZPJMESA-N 348.443 2.769 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCCN4C(=O)[C@@H]3C)c2)n1 1857702474 CKRVYZRPJPTVPA-QFBILLFUSA-N 338.455 2.684 0 50 EFAA CCC[C@@]1(CO)CN(c2nnc(-c3ccccc3)s2)CC[C@H]1O 1857737765 BSIDOERXIRVOEX-PBHICJAKSA-N 333.457 2.555 0 50 EFAA COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2 4614224 GWXJMNNGPXXNDK-UHFFFAOYSA-N 339.413 2.997 0 50 EFAA O=C1CC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)N1 122639458 HFDDYJSJSWDZPT-CQSZACIVSA-N 341.436 2.906 0 50 EFAA CCN(Cc1c(F)cccc1F)C(=O)c1nn2c(c1C)OCCC2 448856353 LFGDWRRVEHNLOV-UHFFFAOYSA-N 335.354 2.915 0 50 EFAA CC(=O)N1CCN(C(=O)c2cc(C(C)C)on2)CC12CCCCC2 240551547 GUOUYXMNPXDLTJ-UHFFFAOYSA-N 333.432 2.805 0 50 EFAA COc1cc(Cl)ccc1CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 337270803 ZYUGFNHCCBWTIX-XHSDSOJGSA-N 325.836 2.710 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H](C1CCCC1)C(F)(F)F 155195393 IYZMQTKMEVBCGM-CHWSQXEVSA-N 347.381 2.560 0 50 EFAA CC[C@H](C)[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)O 263414219 NIFOTTPAJADGRJ-NHYWBVRUSA-N 325.372 2.703 0 50 EFAA O=C(NCCn1c2ccccc2c2ccccc21)[C@H]1C[C@@H]1c1nc[nH]n1 390833561 JJQJUGOMNCFDJN-HOTGVXAUSA-N 345.406 2.833 0 50 EFAA CC(C)(C)n1nnc(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)n1 932188817 OMNBCAZCKVTXIG-GFCCVEGCSA-N 346.504 2.753 0 50 EFAA Cc1cc(C[C@@H]2CCC[C@@H]2NC[C@](C)(O)c2ccsc2)n(C)n1 863984302 RHJMPDLZDROQRX-WBAXXEDZSA-N 333.501 2.999 0 50 EFAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(C2CCC2)nc1 1875277951 PLFLTEUGLVHTEU-MRXNPFEDSA-N 326.352 2.766 0 50 EFAA CN(CCNc1ccccn1)C(=O)[C@H]1COc2ccc(Cl)cc21 1875296373 SUWZFEYBFVKSNQ-AWEZNQCLSA-N 331.803 2.782 0 50 EFAA CC(C)[C@@H]1C[C@@H](NC(=O)Nc2cncc(-c3cc[nH]n3)c2)CCO1 1875319352 YXQPVRXWHAGFMM-BBRMVZONSA-N 329.404 2.797 0 50 EFAA COc1cccc2ccc(C(=O)N3CC(=O)N(C)c4ccccc43)nc12 1875338952 QXOYMFWFQCCNFS-UHFFFAOYSA-N 347.374 2.867 0 50 EFAA Cc1coc(C)c1C(=O)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886095395 VASWQABTFBWWCK-KRWDZBQOSA-N 343.427 2.647 0 50 EFAA Cc1cc(NC(=O)N2CC[C@H](C(=O)O)C2)nn1-c1ccc(Cl)cc1 1775996589 VSOGGNPTHAJBGL-NSHDSACASA-N 348.790 2.773 0 50 EFAA CCc1ccc2c(c1)CCN2C(=O)c1ccc2ncn(C)c(=O)c2c1 2325781060 HOASYIHBRPTOBB-UHFFFAOYSA-N 333.391 2.699 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1 30282 GLGNCWRNFKYAJB-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA COC(=O)c1c(C)nc2n(CCN3CCCCC3)c3ccccc3n12 305216 NZRZKCJLERQPBU-UHFFFAOYSA-N 340.427 2.870 0 50 EFAA CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 483795 MDBDGNTXYRVBOI-JQWIXIFHSA-N 336.457 2.870 0 50 EFAA COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1466555 OCKLTZWKFQQAIK-UHFFFAOYSA-N 338.363 2.710 0 50 EFAA Cc1cc(C)c2ccc(C(=O)N3CCC[C@]34CCCNC4=O)cc2n1 2356164738 FEGBBSUBBAFOSH-FQEVSTJZSA-N 337.423 2.736 0 50 EFAA O=c1[nH]nc(SCc2cccc3nsnc23)n1-c1ccccc1 6701190 UYVUEPKDFLGCMV-UHFFFAOYSA-N 341.421 2.858 0 50 EFAA COc1ccc(NCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100648719 YCJQSUFCUSANTO-LSDHHAIUSA-N 334.803 2.625 0 50 EFAA CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1nc(C)sc1Br 410700484 KJNKSYMIDZMNCG-BQBZGAKWSA-N 349.250 2.532 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1cccs1)C(=O)C2 101366232 SMCLQQCYKFXBOX-XHDPSFHLSA-N 327.471 2.563 0 50 EFAA C[S@@](=O)C1(CNC(=O)c2cc3ccccc3c(Cl)n2)CCC1 225499709 PEUVOSBLCFHRSD-JOCHJYFZSA-N 336.844 2.919 0 50 EFAA COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C(=O)N1CCCCC1)c1ccccc1 225668911 YWKNDNUGXXZTEV-KZNAEPCWSA-N 344.455 2.672 0 50 EFAA Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(O)c4)ccc32)n1 55342235 OLQCYEAPEMIJOE-UHFFFAOYSA-N 347.378 2.781 0 50 EFAA CCN1CCC[C@@H]1Cn1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55413707 FFOFHEMENFSLIF-CQSZACIVSA-N 342.395 2.823 0 50 EFAA O=C(Cn1ncc2ccccc21)NCc1cnn(Cc2ccccc2)c1 107220361 OOTHDVRRLYVKCG-UHFFFAOYSA-N 345.406 2.598 0 50 EFAA COCc1nc(C(=O)Nc2ccc(Br)nc2)cs1 133917847 WMENXBXUFLFLKQ-UHFFFAOYSA-N 328.191 2.699 0 50 EFAA Cc1cncc(C(=O)NCC[C@H]2CCCN(Cc3ccncc3)C2)c1 67866951 WNODIDDTMSUCIX-QGZVFWFLSA-N 338.455 2.817 0 50 EFAA CC(C)CCN1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO 22852821 MADGHSNUPLFXPL-INIZCTEOSA-N 348.516 2.606 0 50 EFAA CC(C)(C)CN(Cc1nnc(S(C)(=O)=O)s1)c1ccccc1 348296182 QYHOSGWYPNRBRH-UHFFFAOYSA-N 339.486 2.994 0 50 EFAA COc1ccc(F)cc1[C@@H]1CC(=O)NCc2nc3cc(C)ccn3c21 65531380 VKPVNJXJLHIZAR-AWEZNQCLSA-N 339.370 2.942 0 50 EFAA O=C1C[C@H](COCc2ccccc2)c2c(nc3sccn23)CN1 65461110 MWDHNTMGVIECEM-CYBMUJFWSA-N 327.409 2.716 0 50 EFAA COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(N)=O)c1 252485298 GQPVCGDRPFBEMP-KRWDZBQOSA-N 341.411 2.507 0 50 EFAA COc1ccc(NC(=O)C[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 252486962 PVUBSHYYBFWXOT-PTKHLAPESA-N 344.455 2.960 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C 230900003 PSOLLKSAGKHELL-IUCAKERBSA-N 345.180 2.725 0 50 EFAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)CCn3cccc3)C2)cc1 72480442 CAODXEHHDVXUHK-MRXNPFEDSA-N 326.396 2.668 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cnn(C(C)C)c2)C1 229858618 PPNZCJLYGUFVNG-OQQHHNTDSA-N 326.466 2.665 0 50 EFAA COc1cc(-c2noc(-c3cccc(=O)n3C)n2)c2ccccc2n1 357193915 ZBVWMTCCYNTZME-UHFFFAOYSA-N 334.335 2.659 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2sc(C)c(Br)c2OC)C1 151047586 XFPABPLXHAWIIV-SECBINFHSA-N 347.278 2.652 0 50 EFAA Nc1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cl)cn3)CC2)cn1 328639914 PUPVONYNMHNTSD-ZDUSSCGKSA-N 345.834 2.819 0 50 EFAA Cc1ocnc1CNC(=O)Nc1noc(-c2ccccc2F)c1C 365466064 ABNSQNJTGAKMCP-UHFFFAOYSA-N 330.319 3.407 0 50 EFAA C[C@H](CCO)NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 155471501 OVCADUIBYYQMQE-RDDDGLTNSA-N 326.265 2.638 0 50 EFAA CC[C@@H](OC1CCCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1 155682276 HURDHPRFMBSUJZ-MRXNPFEDSA-N 348.443 2.692 0 50 EFAA CN(C)c1ccc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)cn1 366910702 KMSBEDBYQOVOTQ-MRXNPFEDSA-N 344.846 2.588 0 50 EFAA O=C(c1ccsc1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72411361 UEXZQDUTZUNIEY-UHFFFAOYSA-N 331.393 2.887 0 50 EFAA Cc1nc2c(c(NCc3ccc(-n4ccnc4C)cc3)n1)CCNCC2 72479178 BXSSNDVWLJBOSO-UHFFFAOYSA-N 348.454 2.579 0 50 EFAA CCc1ccc([C@H]2CNCCN2C(=O)c2ccc3nccn3c2)cc1 261610552 BWLUYYOEEHZDFO-GOSISDBHSA-N 334.423 2.683 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1Cl 261999218 UVYMVAPXFJSVRV-MRXNPFEDSA-N 325.792 2.604 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 263029260 YTWOWCVZDGEXJG-LSDHHAIUSA-N 340.379 2.801 0 50 EFAA O=C(CNC(=O)Nc1ncc(C2CCCCC2)s1)NCC(F)F 281132565 VEDZBIFKSJBBRP-UHFFFAOYSA-N 346.403 2.694 0 50 EFAA O=C(CN1CC[C@@H]2[C@@H](C1)C2(F)F)Nc1ccc(N2CCCC2)cc1 241144888 JTXZZRUKVADWJQ-HZPDHXFCSA-N 335.398 2.812 0 50 EFAA Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3c(C)noc3C)C2)cc1 242167689 WYQXCILQRSELED-OAHLLOKOSA-N 342.399 2.592 0 50 EFAA O=C1c2ccccc2C(=O)N1CCCc1nc(C2CCCC2)no1 225526226 NEDQJGQWVQKQRU-UHFFFAOYSA-N 325.368 2.956 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2c(Cl)cccc21 286907332 ZNSRSUVQACHBBX-IUODEOHRSA-N 331.803 2.740 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 426510858 PRVFZSHPNPXXIQ-HNNXBMFYSA-N 338.411 2.829 0 50 EFAA O=C(CSc1ccncc1)N1CCCC[C@@H]1CCn1cccn1 222598782 LFSYDBKWCHWXCN-OAHLLOKOSA-N 330.457 2.842 0 50 EFAA COC(=O)c1cc(Br)c(NC(C)=O)c2c1OCCC2 145298595 NHXVDOHRYYIYCH-UHFFFAOYSA-N 328.162 2.519 0 50 EFAA Cn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1 231368546 AJIAMIPUWJQSPR-UHFFFAOYSA-N 338.390 2.795 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)NO[C@H]1CCCCO1 161547226 QOVFXNVGUVCKQS-LBPRGKRZSA-N 334.294 2.843 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC(F)(F)[C@@H](CO)C1 291186559 JBDNQPKGHNHIMH-SECBINFHSA-N 328.746 2.911 0 50 EFAA CN(C)[C@H](C(=O)NCCCc1ccc(O)cc1)c1cccc(F)c1 91848844 AUWZVKWZNXKDSU-SFHVURJKSA-N 330.403 2.883 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95389285 QLTQJPGWUBUREB-CQSZACIVSA-N 345.472 2.863 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1c(F)cccc1F)C2 91893763 YVKFRTJESLZYDP-LLVKDONJSA-N 333.334 2.955 0 50 EFAA O=C1CCCCCN1CC(=O)N1CCC[C@@H](OCc2ccccc2)C1 95498290 LJYNXPSCRUXMSV-GOSISDBHSA-N 344.455 2.597 0 50 EFAA C[C@H]1CN(C[C@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@@H](C)O1 244707955 KKRWOUUXIGLYBX-PDDMAZILSA-N 325.493 2.688 0 50 EFAA CC1(CO)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 162883770 WZUUHFNQGFATSD-UHFFFAOYSA-N 338.249 2.920 0 50 EFAA O=C(O)c1cccc(CNC(=O)[C@@H]2CSc3ccccc3O2)c1 299745779 SIFGVXLUTAVFPY-AWEZNQCLSA-N 329.377 2.554 0 50 EFAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)C1CCNCC1 534639295 OMTDGGHHSRLRID-QGZVFWFLSA-N 335.879 2.593 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)NCc1nc(C(C)(C)C)cs1 299754966 AGEVTHZKDDPUIU-UHFFFAOYSA-N 333.457 2.686 0 50 EFAA CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@@]1(C)C(=O)O 299763675 OYRWRFGXRZYIIG-SFHVURJKSA-N 329.400 2.625 0 50 EFAA COc1ccc(-c2cccc(C(=O)NCC3(C)COC3)c2)cc1CO 299803090 WHPRASPRRGHAQF-UHFFFAOYSA-N 341.407 2.621 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 299778258 MMEFYCBFCBUQKM-INIZCTEOSA-N 341.390 2.948 0 50 EFAA CO[C@H]1COC[C@@H]1NC(=O)c1cccc(OCc2cccc(F)c2)c1 824506845 TWLRKWRNXMXHOS-ROUUACIJSA-N 345.370 2.548 0 50 EFAA Cc1c[nH]nc1C(=O)N1C[C@H](NCc2sccc2Cl)C[C@@H]1C 988813532 RWLUOQUGBWLJDR-WDEREUQCSA-N 338.864 2.826 0 50 EFAA CN(C)CCN(Cc1c(Cl)cncc1Cl)C[C@@H]1CCCO1 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CC1=C(C(=O)NCc2cc3ccccc3o2)[C@H](C)n2ncnc2N1C 192161908 KGRROWOVBMDCLO-LBPRGKRZSA-N 337.383 2.626 0 50 EFAA Cc1cc(O)nc([C@@H](C)N2CCC(O)(c3c(F)cccc3F)CC2)n1 192796621 JMMKCLFRXZZGMZ-GFCCVEGCSA-N 349.381 2.813 0 50 EFAA CC[C@@]1(NCC(=O)Nc2ccc(C)cc2Br)CCOC1 683045155 RGACYDWSKXUAFJ-OAHLLOKOSA-N 341.249 2.855 0 50 EFAA COC(=O)[C@H](OC(=O)c1ncccn1)c1ccc(Cl)c(Cl)c1 791391697 NUDNRSWVXWFDRG-LLVKDONJSA-N 341.150 2.855 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 1506396956 ZPOAIOMXZQGCDU-CQSZACIVSA-N 343.452 2.901 0 50 EFAA COc1ccc([C@@H](C)NC(=O)c2nc(N)nc3c2CCCC3)cc1F 1506430133 WMJBIJLHOIHBOQ-SNVBAGLBSA-N 344.390 2.576 0 50 EFAA C[C@H](CN1CCc2ccccc2C1)Nc1ncc(F)c(N(C)C)n1 1529179603 DGRBQXHPIBGKIM-CYBMUJFWSA-N 329.423 2.540 0 50 EFAA CC(C)(C)c1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)[nH]n1 1529154089 GVYMUYKMYNJQOA-SJLPKXTDSA-N 329.444 2.642 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccccc1C(F)(F)F 1704313158 HGOBHVQJVDQJOB-UHFFFAOYSA-N 340.349 2.633 0 50 EFAA 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O=C(O)C[C@@H](NC(=O)c1cccc2c1OCCO2)c1ccc(F)cc1 299748261 GQGQESNXNPUHHD-CQSZACIVSA-N 345.326 2.543 0 50 EFAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cnn1C(C)(C)C 299744832 QDSCWHAHHQHBLO-CFVMTHIKSA-N 333.432 2.804 0 50 EFAA CCn1c(=O)oc2cc(NC(=O)NCCc3scnc3C)ccc21 299796894 OWTKVIQJEDTGII-UHFFFAOYSA-N 346.412 2.744 0 50 EFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3ccoc3)O2)CC1 299786850 RBIFDORQVIYWEG-QGZVFWFLSA-N 332.444 2.989 0 50 EFAA Cc1ccc(Cn2c(CN3CCCNC(=O)C3)nc3ccccc32)cc1 828308685 UMCDWZSEPZWVQM-UHFFFAOYSA-N 348.450 2.715 0 50 EFAA COc1cc(F)cc(NC(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1344475263 ZZTCXMCNZBJNIO-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2sc(C)nc2C)cc1C 952970989 GOINYQAVFDZOQC-UHFFFAOYSA-N 333.413 2.906 0 50 EFAA CC1=C(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)OCCO1 952977005 ZCYGFIJZJCWYHR-SFHVURJKSA-N 344.455 2.998 0 50 EFAA COc1ccccc1OCCC(=O)N1CCC(c2cc(C)n[nH]2)CC1 272289207 UZVYGSSBNTZGOK-UHFFFAOYSA-N 343.427 2.902 0 50 EFAA C[C@](NC(=O)[C@H]1CCC(=O)c2ccccc21)(C(=O)O)c1ccccc1 663142742 YEOPMWSMCSKHEF-OXJNMPFZSA-N 337.375 2.863 0 50 EFAA C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccnc(-n2cccn2)c1 170594961 KRHJXRVTKYKFAE-AWEZNQCLSA-N 338.386 2.901 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)no1 278948737 YRUABEYAKIXTJC-SNVBAGLBSA-N 342.321 2.674 0 50 EFAA Cc1nnc(COC(=O)c2c[nH]nc2-c2cc3ccccc3o2)n1C 170602465 XVNRMKRPALQGBP-UHFFFAOYSA-N 337.339 2.617 0 50 EFAA COc1ccc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1O 170675528 GHJFYWHCFHJIFD-RMKNXTFCSA-N 343.379 2.748 0 50 EFAA Cc1nccnc1[C@@H](C)NCC1CCN(C(=O)c2ccccc2)CC1 188045406 CSALRZXXPFCUSS-MRXNPFEDSA-N 338.455 2.988 0 50 EFAA O[C@@H]1CCCC[C@H]1n1nnnc1Cc1ccc(Br)cc1 193111803 HLFFLLSBRFFTGI-CHWSQXEVSA-N 337.221 2.502 0 50 EFAA O=C(O)c1c(Br)sc(Br)c1C(=O)O 39296317 ZZYYIZHQMCEKLG-UHFFFAOYSA-N 329.953 2.670 0 50 EFAA in-vitro Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc(C)n(C)c1=O 1506420027 QTKDJLVBNDARQM-UHFFFAOYSA-N 336.395 2.655 0 50 EFAA CO[C@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1Cc1cc(C)no1 1529181149 KNBFGHBWQVOHCU-MJGOQNOKSA-N 342.439 2.940 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1Cl 1704337663 CLRCBXKCEPEUSW-HZPDHXFCSA-N 343.876 2.964 0 50 EFAA CCN(C(=O)CSc1nnnn1-c1ccccc1)c1ccccc1 5013909 YZVGISDGQAUXHT-UHFFFAOYSA-N 339.424 2.808 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1 12385166 LYUBYDBNDMSLJG-QGZVFWFLSA-N 347.434 2.631 0 50 EFAA C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C1CC1 12474725 JVXHJMFIYHMUTK-SNVBAGLBSA-N 330.340 2.511 0 50 EFAA COCc1ccc(C(=O)N[C@@H]2CCCc3nc(N(C)C)ncc32)s1 12710581 ABDSFWAPECGHBA-CYBMUJFWSA-N 346.456 2.558 0 50 EFAA Cc1ccccc1C(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 12718957 URRVWVBTDRHASU-INIZCTEOSA-N 326.371 2.665 0 50 EFAA CCCN(C[C@@H]1CCCO1)c1ccc(-c2nc(COC)no2)cn1 19743829 DOGAFKIBYJUOLX-AWEZNQCLSA-N 332.404 2.673 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3ccccc3C(=O)O)CC2)O1 1857701318 OUTLDPLINUFVGC-CVEARBPZSA-N 333.428 2.669 0 50 EFAA CCC[C@@]1(CO)CN(c2ncnc3sc(C)c(C)c23)CC[C@@H]1O 1857716156 YYTVCRZNJDBTMM-GUYCJALGSA-N 335.473 2.658 0 50 EFAA CCCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 408519816 IEXZUXOEOMIROS-YNEHKIRRSA-N 334.382 2.682 0 50 EFAA CCc1nccn1C[C@H](O)COc1cc(F)cc(Br)c1 225484697 AIKRGHNEUXAOSW-LBPRGKRZSA-N 343.196 2.787 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2c[nH]c3c(C)cccc23)C1 644118986 DGXSXVIVFRVRBG-ZBFHGGJFSA-N 338.411 2.731 0 50 EFAA O=C(O)CCN(C(=O)c1cc2ccccc2s1)C1CCOCC1 238078079 RHRJQPPSYWTVPB-UHFFFAOYSA-N 333.409 2.997 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCOC2)C1)N[C@H]1CCCc2ccc(F)cc21 241884847 SYHKGKOAMSMKBA-VDZJLULYSA-N 348.418 2.840 0 50 EFAA COCCc1cccc(-c2ccc(C(=O)NC3CCOCC3)nc2)c1 665140491 OPQUWPCZVUGYJH-UHFFFAOYSA-N 340.423 2.846 0 50 EFAA COC/C(C)=C/Cn1c(-c2cccc(Br)c2)noc1=O 901479573 LXTGSSPBNYETRR-UXBLZVDNSA-N 339.189 2.859 0 50 EFAA CC(C)Oc1ccc(F)cc1S(=O)(=O)Nc1nn(C)cc1Cl 901947594 MWENTOCCCDRJSD-UHFFFAOYSA-N 347.799 2.801 0 50 EFAA C[C@@]1(c2noc(C34CCCN(CCC3)C4)n2)COc2ccccc2O1 904128855 ACRNEKVYSDKLOJ-SFHVURJKSA-N 341.411 2.884 0 50 EFAA CN(C)S(=O)(=O)c1cccc(-c2nnc(-c3cccc(F)c3)o2)c1 1254209637 QGWJKCYCSARKBF-UHFFFAOYSA-N 347.371 2.793 0 50 EFAA CC(C)c1nsc(CN2CCN(Cc3cccc(O)c3)CC2)n1 929989706 PKFOBMQNEUUQKC-UHFFFAOYSA-N 332.473 2.685 0 50 EFAA CC(C)Cn1nnc2c1C[C@H](c1nc(-c3cncs3)no1)CC2 952895209 SDWOBTNNNYGGRR-SNVBAGLBSA-N 330.417 2.713 0 50 EFAA CC[C@@H](SC)c1nc(-c2ccnc(N3CCC[C@H](O)C3)c2)no1 952876744 VXZGJSVMPHSMBQ-QWHCGFSZSA-N 334.445 2.907 0 50 EFAA Cc1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc3nonc3c2)o1 1875288566 MJCLQBWVXJUQLQ-UHFFFAOYSA-N 347.396 2.619 0 50 EFAA CCc1cc(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1F 1875309115 RRCXQRLNOLLCKG-PXAZEXFGSA-N 328.387 2.776 0 50 EFAA CO[C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)NCc1ccsc1 1875362583 KXIDQDRLVFABEC-HZPDHXFCSA-N 337.466 2.870 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccnn1C1CCCC1 886082028 WHEBFKJZHNXYPM-WMLDXEAASA-N 329.448 2.599 0 50 EFAA Cc1c([C@H]2CN(Cc3ccccc3Cl)C[C@@H]2C(=O)O)cnn1C 888077073 HKROJXACWXDDCE-CABCVRRESA-N 333.819 2.682 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)NCc3cn(C)cn3)s2)cs1 891638036 GPBLABIDYZLAQY-UHFFFAOYSA-N 347.469 2.913 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1F)N[C@@H]1CCOC12CCOCC2 895003785 APNVVLLULXXKED-QGZVFWFLSA-N 348.418 2.840 0 50 EFAA Cc1cccc(C2=CCN(C(=O)NCC[C@]3(O)CCOC3)CC2)c1C 895560991 VEGYCCFHXTXUKG-FQEVSTJZSA-N 344.455 2.644 0 50 EFAA Cc1nc([C@H]2CCCN(c3ncc(Br)cn3)C2)[nH]c1C 1775989119 DSECGIARDXVVLZ-NSHDSACASA-N 336.237 2.963 0 50 EFAA Cc1[nH]nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)c1C 1775986288 BNTDURHCXBJUEL-HNNXBMFYSA-N 343.818 2.896 0 50 EFAA COc1cccc2c1CCN(C(=O)[C@H]1CC[C@@H](N(C)C)CC1)CC2 2325784850 OGAMFERPSCRBHH-CALCHBBNSA-N 330.472 2.743 0 50 EFAA O=C(O)c1cn([C@@H]2CCCN(Cc3ccc(F)cc3C3CC3)C2)nn1 2325789341 KTJWDMVEFONCEO-OAHLLOKOSA-N 344.390 2.830 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1)[C@@H](C)c1ccc(F)cc1 2325807655 KEACTUJDJCBACZ-RDBSUJKOSA-N 345.422 2.560 0 50 EFAA C[C@@H]1CCO[C@@H]1CC(=O)N1CCC(c2cccc(C(=O)O)c2)CC1 2325812911 QWGWKOQDANOWGQ-CXAGYDPISA-N 331.412 2.906 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCn4ncnc43)cc2)c1C 1450471646 RCEAUULSHLLDSB-INIZCTEOSA-N 336.399 2.597 0 50 EFAA O=C(O)[C@]1(F)CN(c2ncnc3[nH]c4ccccc4c23)CC12CCC2 910473978 DRYOZRKBYUHNNN-GOSISDBHSA-N 340.358 2.894 0 50 EFAA Cc1nc(N)ncc1-c1nnnn1-c1ccc(-c2ccccc2)cc1 68619 RGBJQYJSMTZURL-UHFFFAOYSA-N 329.367 2.677 0 50 EFAA CCCN(CC1CC1)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 84408 HJTRDPKZAFDUEA-QGZVFWFLSA-N 330.428 2.839 0 50 EFAA CN(c1cccc(NC(=O)c2ccccc2Cl)c1)S(C)(=O)=O 469913 CYSYJPLFVFXOQN-UHFFFAOYSA-N 338.816 2.988 0 50 EFAA O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(O)cc1 4511980 NOBPONWGZJHNCY-UHFFFAOYSA-N 332.743 2.982 0 50 EFAA CCO[C@@H]1C[C@@H](NCc2ccc(N3CCO[C@@H](C)C3)nc2)C12CCC2 222151404 KRPZAHZWYZPCMC-CGTJXYLNSA-N 345.487 2.744 0 50 EFAA CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(N(C)C)nc1C 55568774 FBIHDIGMUDOVGZ-UHFFFAOYSA-N 342.443 2.912 0 50 EFAA CCCCCC[C@@H]1CCC[C@H]1NC[C@H](Cc1cnn(C)c1)C(N)=O 225352675 HXZYMRAYKSOJCO-FGTMMUONSA-N 334.508 2.793 0 50 EFAA CCn1c(SCC(=O)NC2Cc3ccccc3C2)nnc1C1CC1 10494364 DWGONKXLSOGSOF-UHFFFAOYSA-N 342.468 2.551 0 50 EFAA Cc1cc2[nH]c(CN(C)[C@@H](C)c3nc(C)sc3C)cc(=O)n2n1 102733732 LUFSGKWUEMXGDH-JTQLQIEISA-N 331.445 2.597 0 50 EFAA COc1ccc(CCN2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1OC 100619585 CDBCXNPTQKHZNJ-HUUCEWRRSA-N 329.396 2.588 0 50 EFAA O=C(CCN1CCC[C@@H](OCc2cccnc2)C1)Nc1nccs1 65430961 XHMRNTIGXPYREL-OAHLLOKOSA-N 346.456 2.548 0 50 EFAA CN(C)c1ccc(NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)nc1 345780871 MNNBKENMTCEOSW-UHFFFAOYSA-N 333.395 2.960 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 328608664 AWZZOMCKKWEBER-YYWXWVFPSA-N 345.374 2.609 0 50 EFAA Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)o1 67773232 LCDUZLGFSALBIG-INIZCTEOSA-N 345.487 2.543 0 50 EFAA O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(Cn2cccn2)on1 351513053 RGVPBORUKOXUPZ-AWEZNQCLSA-N 332.310 2.656 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1 229518751 LPIQGFVSCZQNMU-BFYDXBDKSA-N 341.455 2.882 0 50 EFAA c1ccc([C@@H]2OC[C@@H]3O[C@@H]4O[C@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 5666445 IHXGBIRUYZZCIT-GRUVHVDGSA-N 326.348 2.940 0 50 EFAA biogenic CC1CCN(C[C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)CC1 5807994 BPHVHGCZTFZMLJ-AWEZNQCLSA-N 349.500 2.865 0 50 EFAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc2c(c1)OCCCO2 252671824 OJKZSRRIRRZVDS-DZGCQCFKSA-N 333.432 2.652 0 50 EFAA CCN(CCC(=O)OC)C(=O)c1c(O)cnc2ccc(Cl)cc12 253392543 KWXATVPVZSAEGT-UHFFFAOYSA-N 336.775 2.619 0 50 EFAA C[C@@H]1CN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCCO1 171313096 PRQALNAXQKLULU-GFCCVEGCSA-N 346.349 2.905 0 50 EFAA Cc1cccnc1CN1CCN(Cc2ccc3nsnc3c2)CC1 72159445 UESBWCISONGYTD-UHFFFAOYSA-N 339.468 2.713 0 50 EFAA CCN1CCC[C@@H](CN(C)[C@@H](C)c2nnc(C)o2)[C@@H]1c1cnn(C)c1 328623902 CCOJGMPKLRIGQV-JLJPHGGASA-N 346.479 2.578 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 12592543 NKORJCKDZUEKEH-GFCCVEGCSA-N 343.402 2.666 0 50 EFAA Cc1ccc(OC2CCN(c3ncnc4nc(N)ccc34)CC2)cc1 357514670 OYOWXXZKMICJIH-UHFFFAOYSA-N 335.411 2.963 0 50 EFAA O=C(Nc1cn[nH]c1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 239654249 BNBKGSXIZNFRAH-OIISXLGYSA-N 338.411 2.822 0 50 EFAA O=C(c1cccc(CO)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 366371099 ROXWWCRCVXDPKM-NRFANRHFSA-N 339.435 2.636 0 50 EFAA CCCC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C2(CCOCC2)C1 496370477 RRKLYYBSRMBFPN-CQSZACIVSA-N 340.464 2.566 0 50 EFAA Cc1cccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)n1 39490333 FRKYZXMWWDODMG-HXUWFJFHSA-N 331.504 2.839 0 50 EFAA COc1ccccc1[C@H](C)NC(=O)CN1CCOC2(CCCC2)C1 157964268 DTKRGWVAFJRBKB-HNNXBMFYSA-N 332.444 2.517 0 50 EFAA NC[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 238046104 JKBOXYVLMMRHLQ-RUJXFNLJSA-N 337.423 2.624 0 50 EFAA COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C1CCN(C)CC1 72425069 ZHUZQJWNKNQUST-INIZCTEOSA-N 332.488 2.943 0 50 EFAA O=C(N[C@H]1CCSc2ccccc21)N1CCC[C@H](n2cncn2)C1 173377427 ZOLJLBWHNGZHMW-ZFWWWQNUSA-N 343.456 2.862 0 50 EFAA O=C1C[C@@]2(CCN(Cc3ccc(-c4ccccc4)s3)C2)C(=O)N1 82135011 BQHIRDATTHDMNX-GOSISDBHSA-N 326.421 2.654 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 240934457 JCFWOHRJSHZESD-IOASZLSFSA-N 339.439 2.776 0 50 EFAA O=C(CCc1cccnc1)N[C@@H](CCn1cncn1)c1ccccc1 222782383 YSULVTYRHKUJAT-SFHVURJKSA-N 335.411 2.554 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1 284828926 OVAPHCNRRQTCOQ-CHWSQXEVSA-N 343.349 2.702 0 50 EFAA COC(=O)c1sc(NC(=S)NC(C)(C)C)c(C(=O)OC)c1C 17071899 KDZIRVNABKXZCV-UHFFFAOYSA-N 344.458 2.715 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(-c4cncn4C)cc3)C2)n1 426739676 HDSLRUMSWSDABZ-SFHVURJKSA-N 349.438 2.988 0 50 EFAA O=C(c1c[nH]c(=O)c2ccccc12)N1CCCN(C2CCCC2)CC1 191730783 CYUMWAAIUJCVRV-UHFFFAOYSA-N 339.439 2.619 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)NCCc1cnccn1 91536563 XGJXWDULWYQIFF-UHFFFAOYSA-N 326.183 2.521 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)c1cnc(-c2ccccn2)nc1 426518006 XSRGSFKNFHYPPE-UHFFFAOYSA-N 335.367 2.676 0 50 EFAA 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EFAA COCc1nc(C)c(CNC(=O)c2ccc3c(c2)CCCO3)s1 426465107 GPEUEHWCZVWEMP-UHFFFAOYSA-N 332.425 2.853 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)n[nH]1 221354946 CAUNPQWCQDBPTC-MRXNPFEDSA-N 336.395 2.809 0 50 EFAA Cc1cc(NC(=O)Cn2ccc(-c3ccc(F)c(F)c3)n2)n(C)n1 48134964 SUVXHIRZWFRVTN-UHFFFAOYSA-N 331.326 2.509 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)N1Cc2ccccc2NC(=O)[C@H]1C 1365720955 JNVKQRQNMNESHE-GFCCVEGCSA-N 348.399 2.666 0 50 EFAA Cc1cnccc1-c1cccc(C(=O)NCCCN2CCCC2=O)c1 426360012 BNJALWLSEISPKI-UHFFFAOYSA-N 337.423 2.799 0 50 EFAA Cc1nc(CCCNC(=O)CCc2c(C)nn(C)c2C)sc1C 82121940 GVGANTGCIFMWST-UHFFFAOYSA-N 334.489 2.792 0 50 EFAA CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 230211598 FKOQFVNUAXYYQD-WBMJQRKESA-N 345.443 2.635 0 50 EFAA Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95356382 XUGMNIAKCNMJJP-CYBMUJFWSA-N 347.802 2.792 0 50 EFAA Cc1cc(N2CCC(n3cnnc3)CC2)nc(-c2ccccc2O)n1 91966340 QJKMWDCBKZBHIH-UHFFFAOYSA-N 336.399 2.591 0 50 EFAA COc1cc(C)cc(OC)c1[C@H](C(=O)O)N(C)Cc1cc(C)no1 95377359 SAEDKARZTIPOCW-MRXNPFEDSA-N 334.372 2.566 0 50 EFAA Cc1cnc(CNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)cn1 97766560 ZGINXGCYBUIPTH-CQSZACIVSA-N 328.416 2.855 0 50 EFAA CCCn1cnnc1CNC(=O)c1ccc(CN2CCCCC2)cc1 91664367 VTXKVQLUHZBFMW-UHFFFAOYSA-N 341.459 2.604 0 50 EFAA COC(=O)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)N1 247827844 KAZMRFPFSQRNLR-RDBSUJKOSA-N 339.819 2.874 0 50 EFAA O=C(Cn1cc2ccccc2n1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244692025 JNCWQXNQPHXFRX-IYOUNJFTSA-N 341.436 2.726 0 50 EFAA COc1ccc2c(c1)nc(CNC(=O)CCc1scnc1C)n2C 299136007 XPYNPKMNPMTICO-UHFFFAOYSA-N 344.440 2.596 0 50 EFAA c1cncc(-c2ccnc3nc([C@@H]4COc5ccccc5O4)nn23)c1 253412319 QPRJYAKTSLJGDX-INIZCTEOSA-N 331.335 2.699 0 50 EFAA CCCn1nccc1S(=O)(=O)NC1(Cc2ccccc2C)CC1 534667776 WODFKLKXVSIZRM-UHFFFAOYSA-N 333.457 2.655 0 50 EFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3c(C)nsc3C)C2)n1 292955604 YTBKBLBDKNRIDB-AWEZNQCLSA-N 333.461 2.521 0 50 EFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(Oc2cccnc2)cc1 299758797 POLZHPRJUPNBLE-IRXDYDNUSA-N 343.383 2.799 0 50 EFAA COCc1nc(NCc2cnc(C)cc2C)cc([C@@H]2CCOC2)n1 299801763 YUOPXVXSKMIUOJ-CQSZACIVSA-N 328.416 2.751 0 50 EFAA CN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCCN(C(=O)C2CC2)C1 584887374 HPJMCTFRNOQTKB-OAHLLOKOSA-N 349.862 2.882 0 50 EFAA CC(C)c1ncc(CN2CCCO[C@@H](CN3CCCCC3)C2)cn1 822278828 PKZWZNAZRGRYKE-SFHVURJKSA-N 332.492 2.677 0 50 EFAA COc1ccccc1N1C[C@@H](NC(=O)N2CCCCCCC2)CC1=O 584901512 GOGROVKHAHTDHN-HNNXBMFYSA-N 345.443 2.776 0 50 EFAA COCCCCN1CCN(C(=O)NCCc2ccc(C)cc2C)CC1 670440758 LEFFWUCLGVSACU-UHFFFAOYSA-N 347.503 2.600 0 50 EFAA COCc1ccccc1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473415 BOSGWUPXOXTGMP-CRAIPNDOSA-N 339.439 2.617 0 50 EFAA O=C(Nc1ccc(OC2CCCC2)nc1)[C@H]1CCc2nc[nH]c2C1 408522808 LYHYOOGBGBHEKQ-LBPRGKRZSA-N 326.400 2.870 0 50 EFAA CCc1cc(=O)n2nc(Oc3cccc(-c4nnco4)c3)sc2n1 301125749 PZUPVMIXXQIEMU-UHFFFAOYSA-N 341.352 2.556 0 50 EFAA CC[C@@H](C)[C@H](C)C(=O)NC1CCN(C(=O)Cc2cnccc2C)CC1 1396838968 ZMQAZXZELRLQAK-ZBFHGGJFSA-N 345.487 2.722 0 50 EFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)cc1 269192212 RCVDHAWRGKOMFW-RISCZKNCSA-N 330.350 2.970 0 50 EFAA CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)s1 407994688 DWIDEPMAROWEHP-VIFPVBQESA-N 336.417 2.549 0 50 EFAA CC(C)c1ccc(C(=O)NC2CCN(c3cccnn3)CC2)c(O)c1 277578588 OHAXTYCNNGTJCB-UHFFFAOYSA-N 340.427 2.704 0 50 EFAA CN1CC[C@@H](NC(=O)c2ccc3cc(Br)ccc3c2)C1=O 170050524 IKWQHFNGTTVUQW-CQSZACIVSA-N 347.212 2.563 0 50 EFAA COC(=O)[C@]1(C)CCCN1C(=O)CCCOc1ccc(F)cc1F 187635713 DQWAYBFPAHCAGH-KRWDZBQOSA-N 341.354 2.678 0 50 EFAA CN(c1ccccc1C(=O)O)S(=O)(=O)c1c[nH]c2cccc(F)c12 189336885 MKGYZLOBXJVNRN-UHFFFAOYSA-N 348.355 2.830 0 50 EFAA Cc1cc(C)c(N2CC[C@H](NC(=O)CC(F)(F)F)C2=O)c(C)c1 189927567 PSDDVQRBGXAVFR-LBPRGKRZSA-N 328.334 2.786 0 50 EFAA CN(Cc1nc2ccccc2n1C)[C@H]1CCc2ccccc2NC1=O 192113160 MYSUSEUFZHEWLQ-SFHVURJKSA-N 334.423 2.959 0 50 EFAA CC(C)(C)n1ncc(C(=O)Nc2nncn2C2CC2)c1C(F)(F)F 671868699 NLMKQTKAEWMXRJ-UHFFFAOYSA-N 342.325 2.836 0 50 EFAA CN(C)c1ncc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1Cl 655040345 RHADTFCCCTVAPT-SNVBAGLBSA-N 349.822 2.670 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)Nc1nc(CC(=O)O)cs1)CCC2 656232438 SNHLGHZRKHOCRV-CYBMUJFWSA-N 346.408 2.837 0 50 EFAA COc1ccnc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)c1 1506430889 DEEJIURSMJZYDI-INIZCTEOSA-N 332.425 2.738 0 50 EFAA Fc1ccc(N2CCC(N3CCC[C@H](c4nc[nH]n4)C3)CC2)cc1F 1506406750 RIONVYSYPDYEPJ-ZDUSSCGKSA-N 347.413 2.931 0 50 EFAA CCc1nn(C)c(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1CC 1529154306 KJGJDJGBVYSEPJ-OAHLLOKOSA-N 339.443 2.535 0 50 EFAA CCCc1nc(CNc2ccc(C(=O)N3CCOCC3)cn2)cs1 1529181947 RTCIYVJCPKLHFH-UHFFFAOYSA-N 346.456 2.575 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)C(C)(C)c1ccccc1 1704304403 RDDZKTGPVOFOBE-UHFFFAOYSA-N 328.460 2.586 0 50 EFAA CC(C)N1C[C@H](C(=O)Nc2ccc(Br)cc2F)CC1=O 4977095 PSPMDIYXRRIWJX-SECBINFHSA-N 343.196 2.784 0 50 EFAA Cc1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C)cc1 5659178 UTWMTBSTTGAIBT-AWEZNQCLSA-N 336.482 2.956 0 50 EFAA COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)O 16622182 ZUQPUAFTUBWINH-LLVKDONJSA-N 347.392 2.533 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)NCc1nc(C)c(C)s1)CC(=O)N2 19731964 RZZJEGHHUZGYIT-CYBMUJFWSA-N 345.424 2.511 0 50 EFAA O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N[C@@H]1CCCc2ccccc21 229775742 YJYQETDBXUOGQB-CEXWTWQISA-N 328.456 2.824 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 237469961 JELKKVNCXXMFPM-CMPLNLGQSA-N 343.240 2.717 0 50 EFAA CCc1nc2ccc(Cl)cn2c1C(=O)N[C@@H]1CC12CCOCC2 333971247 WBVJUQNFUDNRIM-CYBMUJFWSA-N 333.819 2.849 0 50 EFAA Fc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 129672568 FYOAFLZHJWDGGV-HNNXBMFYSA-N 345.418 2.635 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 345626980 SCWOOACQTUNPMI-WFASDCNBSA-N 347.317 2.642 0 50 EFAA CN1CCc2ccc(NCC(=O)N3CCCc4ccccc43)cc2C1=O 150812902 OKJJPUYVBFAQCY-UHFFFAOYSA-N 349.434 2.706 0 50 EFAA COCCC1(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCCC1 152612575 AYGRSCFBDWBBNV-APWZRJJASA-N 338.492 2.920 0 50 EFAA CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cs1 163531555 OSZBTFQKMQXNMH-AWEZNQCLSA-N 349.477 2.856 0 50 EFAA COC[C@@]1(C)NC(=O)N(c2cc(-c3cncc(F)c3)ccc2C)C1=O 900254233 UCTOYYVJRDYASN-GOSISDBHSA-N 343.358 2.657 0 50 EFAA O=C(O)[C@H]1[C@H]2CN(Cc3cnn(Cc4ccccc4Cl)c3)CC[C@H]21 902554117 OVEOHOPHYBXBSQ-HLLBOEOZSA-N 345.830 2.737 0 50 EFAA O=C(O)c1cc(F)cc2c1CCN(C(=O)C[C@H]1CCC3(CCC3)O1)C2 1875298379 YVHSWZKCTXTSJM-CQSZACIVSA-N 347.386 2.900 0 50 EFAA O=C(c1cc2c[nH]cnc-2n1)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 1875299169 BMAGVTXTGBQDFD-LLVKDONJSA-N 340.358 2.774 0 50 EFAA COC1(C)CCC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1 1875314848 WHHSXVGEHADXGR-XNTLQMMMSA-N 335.448 2.520 0 50 EFAA CCn1ncnc1-c1ccc(C(=O)N[C@@H]2CNc3ccccc3C2)cc1 876945339 ANKDMWHQJAGMER-KRWDZBQOSA-N 347.422 2.732 0 50 EFAA CN1C(=O)CC[C@@H](NC/C=C/c2ccc(F)cc2)[C@@H]1c1nccn1C 886085350 LIEUOPQUKOZUAO-CMDLKFMISA-N 342.418 2.524 0 50 EFAA CC(C)[C@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 890596385 ZRIDUIJZYKILOR-LBPRGKRZSA-N 331.441 2.704 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)[C@]1(C)CCOc2ccccc21 890849476 AWAUKAUYPUFGFS-HXUWFJFHSA-N 335.407 2.999 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2CCc3c[nH]nc3C2)C(C)(C)C1 1775984815 IPUPJEYHOZNNNF-UKRRQHHQSA-N 334.464 2.502 0 50 EFAA Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 4809180 XHGHGZCOIBZYCX-UHFFFAOYSA-N 332.381 2.549 0 50 EFAA COC(=O)c1cc(COC(=O)[C@H]2CCC[C@@H]2c2ccccc2)nn1C 2325792452 FEAJKTWHHCTLEW-CVEARBPZSA-N 342.395 2.834 0 50 EFAA COc1ccccc1-n1nc([C@@H]2CCOC2)nc1[C@H]1C[C@H](N(C)C)C1 2325849444 PNQKCVBJTGGOST-RBSFLKMASA-N 342.443 2.587 0 50 EFAA COc1cccc(OC)c1CN(C)C1=NC[C@@H](c2ccccc2)N1 2325863853 ZBGPQPLPBBHUQN-INIZCTEOSA-N 325.412 2.836 0 50 EFAA C[C@H]1C[C@@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn21 891940911 UAWKJFBNSMGUIS-SWLSCSKDSA-N 347.850 2.713 0 50 EFAA CC[C@]1(c2ccc(NCc3ocnc3C)cc2)CCC(=O)NC1=O 894118513 ZPMFCMVYIGMJDR-GOSISDBHSA-N 327.384 2.680 0 50 EFAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC 355222 AHSWSYRTYOHLID-INIZCTEOSA-N 348.399 2.673 0 50 EFAA CCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 470283 YSOIBWNRSGTFHC-UHFFFAOYSA-N 337.383 2.914 0 50 EFAA COC[C@@]1(C)CCN(C(=O)N[C@@H]2CCc3cc(F)c(OC)cc32)C1 458746199 BFRQAWLPFJPIIJ-QAPCUYQASA-N 336.407 2.890 0 50 EFAA CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N 1779096 JMSMKZPQOVUSRY-UHFFFAOYSA-N 333.461 2.682 0 50 EFAA Cc1cc(C)c(C(=O)Nc2ccc(N3CCCCC3)cn2)c(=O)[nH]1 110309230 APZHIPYCWLGXRI-UHFFFAOYSA-N 326.400 2.629 0 50 EFAA COc1ccccc1CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225683062 LWETUNFBWJDGET-DLBZAZTESA-N 329.371 2.711 0 50 EFAA O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cccc[n+]1[O-] 113219986 ZZYDYPLWLJGOJN-UHFFFAOYSA-N 342.742 2.808 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CN3CCCC3)C2)cc1F 246207744 OSEMYJUZWQSWLI-HOTGVXAUSA-N 333.451 2.879 0 50 EFAA CC(=O)N1CCC(N2CCO[C@H](CCCc3ccccc3)C2)CC1 20912127 KBCBRBLTNBXSQF-HXUWFJFHSA-N 330.472 2.721 0 50 EFAA CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 246266470 LLYRKOBWKRPGFX-KKUMJFAQSA-N 337.261 2.763 0 50 EFAA Cc1ncc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cn1 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1506415071 UMZPONFZPDMMAP-KRWDZBQOSA-N 338.407 2.657 0 50 EFAA Cc1cc(NC(=O)CNC(=O)c2ccccc2)n([C@@H](C)C2CC2)n1 1506400810 YCMZXHZZMCRNMD-ZDUSSCGKSA-N 326.400 2.531 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H](C2)C(=O)N3)c2cccc(C)c2n1 216254895 VRQJEJSZRCYVDP-GJZGRUSLSA-N 337.423 2.592 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 12055691 WUAFFGMCGMNGFR-IAGOWNOFSA-N 334.391 2.541 0 50 EFAA CCN1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)CCC1=O 12164525 VTSGWPYHKDZKPP-UHFFFAOYSA-N 333.819 2.824 0 50 EFAA CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12373545 DWVHAJBDUTZBFG-GOSISDBHSA-N 340.427 2.829 0 50 EFAA CS(=O)(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 14980466 ZQZZRUXHALKMOY-SFHVURJKSA-N 345.464 2.869 0 50 EFAA COC[C@@H](C)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 15074911 CLTLTNVHHLFLQF-CQSZACIVSA-N 334.464 2.684 0 50 EFAA O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1O 15879998 GWEPKSQRIZYIFY-UHFFFAOYSA-N 326.381 2.908 0 50 EFAA Cc1cccc(CN2CCN(C3CCCCCC3)C[C@@H]2CCO)n1 19798879 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CCn1cc(CC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)nn1 820507713 USNBEMRQBMNDEZ-CYBMUJFWSA-N 338.333 2.923 0 50 EFAA Cc1ccccc1-c1nnsc1C(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 822763291 JWCFZYDYSRIUDO-MJBXVCDLSA-N 343.452 2.747 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCn2ccnc2C1 830543424 SGXWSTNXJWFQOT-INIZCTEOSA-N 349.434 2.966 0 50 EFAA Fc1cccc(-c2nnc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)o2)c1 831364421 PKYKOQDGKRTAQZ-NUEKZKHPSA-N 329.375 2.923 0 50 EFAA O=C1C[C@]2(NC(=O)N[C@H](C3CCCC3)C(F)(F)F)CCCC[C@@H]2N1 930827317 CWCPWBRECZEPCK-NJZAAPMLSA-N 347.381 2.608 0 50 EFAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc(C(F)F)cc1 933102526 ZCXBMKMSRWBFOS-BXUZGUMPSA-N 327.375 2.543 0 50 EFAA Cn1nc(C2CC2)nc1COc1cccc2c1[C@H](O)CC(C)(C)O2 842650023 IAWOOTGYLZFYPP-GFCCVEGCSA-N 329.400 2.866 0 50 EFAA CC[C@@H](C)n1ncc(NCc2cc(C3CN(C(C)=O)C3)no2)c1C 952887304 OEKSOUHJBYDDJW-LLVKDONJSA-N 331.420 2.708 0 50 EFAA CN(C)c1ccc(CN2CCc3c(ccc(F)c3F)[C@H]2C(=O)O)cn1 1875283419 RQYAIADVOBZCEO-KRWDZBQOSA-N 347.365 2.610 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc2c(Br)cncc2c1 1875303569 DOIXNGPUBSLBSW-ZDUSSCGKSA-N 349.184 2.687 0 50 EFAA CC(C)[C@@]1(CO)CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875310863 FIXYBCDINYBFBP-HNNXBMFYSA-N 345.365 2.717 0 50 EFAA CCC[C@H](N[C@@H]1CN(C)C[C@H]1c1cncn1C)c1cc(C)ccn1 1775960103 SHYRAFVEIZNZSQ-SOLBZPMBSA-N 327.476 2.652 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)[C@@H](CC(=O)O)C(F)(F)F 1775994357 BCAGXGQZCTUDJI-ZDUSSCGKSA-N 327.306 2.710 0 50 EFAA CC(C)c1nc(CN2CCC(n3ccc(C(=O)O)n3)CC2)cs1 1776381937 GQIVYHNCNBIYHW-UHFFFAOYSA-N 334.445 2.998 0 50 EFAA O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC=C(c2ccco2)C1 899068498 PIWHVVOFDLRBKK-UHFFFAOYSA-N 339.317 2.897 0 50 EFAA Cn1cnc2c(NCCc3sccc3Br)ncnc21 713070627 YUTZRROHLOCTGA-UHFFFAOYSA-N 338.234 2.842 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(NC(C)=O)cc1 62709 APKGBXWZPXKTGK-QGZVFWFLSA-N 342.351 2.943 0 50 EFAA Cc1[nH]nc2ncc(CN3CC[C@](O)(Cc4cccc(F)c4)C3)cc12 2325775518 BJXUCLMAIFZYMU-IBGZPJMESA-N 340.402 2.585 0 50 EFAA C[C@@]1(C(=O)N2CCCCC2)CC1(Br)Br 2772295 VIHWJLYYPCWNGJ-VIFPVBQESA-N 325.044 2.895 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 615498 KOXWYBLNMQWLQU-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)NC(=S)Nc1ccc(C(=O)O)cc1 4773154 JJXQLBJPYWJZQB-LLVKDONJSA-N 344.392 2.665 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 4777197 YRIOCYIUDSZLKK-INIZCTEOSA-N 325.412 2.506 0 50 EFAA CCOc1ccc(NC(=O)COc2cccc(C(=O)OC)c2)cc1 4841622 CWZZVKJSGRWQSH-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1OC 6706668 FMGXRULFFIHHQC-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1nc2ccccc2[nH]1 249291674 AJLFADIUNDYPEX-YMRXKLBXSA-N 336.395 2.581 0 50 EFAA CCOc1ccccc1CN1C(=O)C2(OCCO2)c2ccccc21 8046820 NWXXECNCKAPSTI-UHFFFAOYSA-N 325.364 2.832 0 50 EFAA CC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 225339820 YHYDTVPISDSOLC-MKVSYHDVSA-N 330.428 2.562 0 50 EFAA Cn1nccc1-c1nc(Cc2ccc(F)c(Br)c2)no1 225592697 NCPSDVQXPOJREC-UHFFFAOYSA-N 337.152 2.963 0 50 EFAA COC[C@@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 225635333 UEBZIWTXEHURHV-QZTJIDSGSA-N 328.412 2.727 0 50 EFAA Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1CC(C)C 9328475 QEFLQOUVABRAKR-UHFFFAOYSA-N 348.428 2.702 0 50 EFAA COc1ccc(-c2noc(CN(C)CCN3CCCCC3)n2)cc1 20363233 NOCCPOXLYPEPFM-UHFFFAOYSA-N 330.432 2.663 0 50 EFAA O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H]1c1ccc(F)cc1 67805913 DVLZOYRKTAJENI-QGZVFWFLSA-N 347.411 2.963 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 345618614 LKPNBNQMRLRZCB-KDOFPFPSSA-N 347.361 2.850 0 50 EFAA CN(Cc1cccs1)C(=O)c1cccc(CNc2ccncn2)c1 348417019 XUZCJINDMPDJHR-UHFFFAOYSA-N 338.436 3.422 0 50 EFAA O=C(NCc1ccc(F)cc1)c1ccc(CN2CCOCC2)cc1 24601380 VOTXTYLUNKXHOF-UHFFFAOYSA-N 328.387 2.588 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(CN(C)C)o2)CCN1Cc1ccccc1 1362868828 PMTKKPCSQQMBAR-INIZCTEOSA-N 341.455 2.688 0 50 EFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C2CCN(C)CC2)C1 11874600 RVGRPIVMHCXBFM-NRFANRHFSA-N 344.499 2.969 0 50 EFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC2CCCC2)C1 11879507 LMWOEBCWOGAIJE-QGZVFWFLSA-N 344.503 2.983 0 50 EFAA CC(=O)NCC[C@H]1CN(Cc2cccc3c(C)c(C)[nH]c23)CCO1 67805844 PBVATPFVKDNEAP-KRWDZBQOSA-N 329.444 2.512 0 50 EFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2-c2ccccc2)C1 65432876 DJLNOUKACUYJAX-QAPCUYQASA-N 338.407 2.583 0 50 EFAA CN(C)[C@H]1CS(=O)(=O)[C@@]12CC1c3ccccc3C2c2ccccc21 31716338 DHIQQBILTIUGMZ-PCODVIEZSA-N 339.460 2.765 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2cccc(OC(F)F)c2)C1 424239399 HHZIFBPZVBQOMN-INIZCTEOSA-N 327.327 2.544 0 50 EFAA O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 229898801 NZXKQYJHZNUOBJ-NJAFHUGGSA-N 344.430 2.790 0 50 EFAA Fc1ccc(-n2ncc3c(SCn4cccn4)ncnc32)cc1 253401036 RDMNMRADUZIXHX-UHFFFAOYSA-N 326.360 2.901 0 50 EFAA C[C@@H]1CCN(C(=O)CCC(=O)c2cnn(C)c2)[C@@H](c2ccco2)C1 253428547 JIEIAHAXLRBWIJ-UKRRQHHQSA-N 329.400 2.976 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)ccc1F 39544067 JGCMMOXIXCMVNF-QGZVFWFLSA-N 336.451 2.646 0 50 EFAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1C 77406142 MRQNGCIOFHUXRB-HXUWFJFHSA-N 330.472 2.500 0 50 EFAA C[C@@H]1CC(CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H](C)O1 281296142 SYTKENPVYBMOFO-VFVRVIDISA-N 334.435 2.939 0 50 EFAA COc1ccccc1N1CCN(c2cc(C)nc3cc(C)nn23)CC1 72424601 YHGVQRTVPZNSQV-UHFFFAOYSA-N 337.427 2.681 0 50 EFAA Cc1n[nH]c(SCCNC(=O)c2cc(C(F)(F)F)ccc2C)n1 219605186 YTTULYSZFRERBH-UHFFFAOYSA-N 344.362 2.962 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2O)CC1=O 77353803 COVKOTONWHQVAF-UHFFFAOYSA-N 344.798 2.843 0 50 EFAA O=C1[C@H](N2CCC(CCCO)CC2)CCCN1Cc1ccccc1 371707225 NRDULSFTHAOWPY-LJQANCHMSA-N 330.472 2.662 0 50 EFAA CC(C)c1ncc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)s1 263128610 SQXCDNNENWEBGY-CQSZACIVSA-N 346.408 2.757 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)c(C)c1 333298392 PRMDKXNUZBCIEG-ICSRJNTNSA-N 344.499 2.899 0 50 EFAA O=C1CSc2ncnc(N[C@@H]3C[C@H]3c3c(F)cccc3F)c2N1 373822398 IEIBNKZXABJAFL-GMSGAONNSA-N 334.351 2.767 0 50 EFAA CN(C)C1(CNC(=O)C2(c3ccc(Cl)cc3)CC2)CCOCC1 78707321 MPSDCOLSQZKJCB-UHFFFAOYSA-N 336.863 2.599 0 50 EFAA Cc1noc2ncnc(N3CCn4c(C5CCCC5)nnc4[C@H]3C)c12 377176321 BBFLOOOOAZDBTA-LLVKDONJSA-N 339.403 2.757 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77286557 VQQJIZDRVJERBQ-LBPRGKRZSA-N 335.404 2.917 0 50 EFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCOC[C@@H](CO)C1 77505783 BBBWMNSLLXYRRD-QGZVFWFLSA-N 339.435 2.676 0 50 EFAA CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 3855927 MNUVQDHQXFVJIA-UHFFFAOYSA-N 335.381 2.614 0 50 EFAA CCC[C@@H](C)c1cc(NC(=O)c2ccc(CNC(N)=O)cc2)[nH]n1 173321279 RTOHUDPAXBBODJ-LLVKDONJSA-N 329.404 2.734 0 50 EFAA O=C(COCC(F)(F)C(F)F)N1CCC(c2ccncc2)CC1 220112874 HUABDQXTNALJPE-UHFFFAOYSA-N 334.313 2.705 0 50 EFAA C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1S(C)(=O)=O 284069019 RPPMDAVIHHOMDJ-CQSZACIVSA-N 343.448 2.779 0 50 EFAA O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ncncc1Cl 176539402 KRSSSANWGIUHKI-UHFFFAOYSA-N 344.802 2.799 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 286323502 OANBJSWLBAQORX-OTWHNJEPSA-N 331.456 2.624 0 50 EFAA C[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)C1=CCCCC1 426574933 ARYLRCPMNIIGNZ-NSHDSACASA-N 330.367 2.812 0 50 EFAA Cc1cnccc1Sc1nnc([C@H](N)Cc2ccccc2)n1C 426635334 KAJUPJRMSRCNHY-CQSZACIVSA-N 325.441 2.912 0 50 EFAA O=C([C@@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1)N1CCCC1 229220034 KEIWJERWWKHGBJ-IEBWSBKVSA-N 338.455 2.953 0 50 EFAA CC(C)n1cc(NC(=O)N(C)Cc2nc(-c3ccncc3)no2)cn1 426574972 GVBMTEXVGOEAQG-UHFFFAOYSA-N 341.375 2.573 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 223749476 ZVANCRJVYFEMSU-IBGZPJMESA-N 340.471 2.740 0 50 EFAA O=C(N1CCC2(CC1)OCCC[C@@H]2O)C1(c2ccc(Cl)cc2)CC1 91858291 GWOXJMLLEFHAPL-INIZCTEOSA-N 349.858 2.904 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)c2)n1 162290805 AELGTFKEDQCBKG-HZPDHXFCSA-N 341.415 2.561 0 50 EFAA COCc1cc(CNC(=O)c2oc3cc(OC)ccc3c2C)n[nH]1 91254867 PDBJGTQHIOVJRH-UHFFFAOYSA-N 329.356 2.549 0 50 EFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(Cc3ccsc3)C[C@H]21 95529206 WQRTXGXCRZIGJG-CRAIPNDOSA-N 345.420 2.820 0 50 EFAA O=C(CCc1ccncc1)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 97634922 FDQAIPVIHAJJPV-AZRLCKCBSA-N 328.456 2.708 0 50 EFAA CC(C)(C)n1cnc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)n1 293384493 QYEUAAOHSROJMX-AWEZNQCLSA-N 348.834 2.900 0 50 EFAA COc1cccc(OCCN2CCC[C@H]2C(=O)N2CCCCC2)c1 244795119 QZVKCIFARJEXQY-SFHVURJKSA-N 332.444 2.551 0 50 EFAA COc1ccc(C)cc1NC(=O)CCN1CC[C@@]2(O)CCCC[C@H]2C1 244794811 QUAJOXYRXDUHPG-JXFKEZNVSA-N 346.471 2.959 0 50 EFAA O=C(O)C[C@@H]1C[C@@H]2[C@@H]3C[C@H](CC(=O)O)[C@H]4[C@H]3[C@H]3[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]4[C@@H]31 247353732 CSFXZVCEJJRBRM-QMHFMNBNSA-N 328.408 2.748 0 50 EFAA C[C@@H]1CN(C(=O)c2scnc2C(F)(F)F)c2cccnc2O1 297657574 GPCYPJHTOQIRMG-SSDOTTSWSA-N 329.303 2.985 0 50 EFAA COc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2C(=O)O)o1 299741471 FBYPGDXFGFFNEP-ZDUSSCGKSA-N 345.351 2.556 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4csnc4N)C3)nc2c1 299779963 QCUVIJXSXDINQM-NSHDSACASA-N 341.440 2.930 0 50 EFAA Cc1ccc2[nH]c(CCCNC(=O)Nc3cn(C)nc3C)nc2c1C 299800445 VSTWJRPPQMXMMK-UHFFFAOYSA-N 340.431 2.976 0 50 EFAA CSCC[C@H](NC(=O)c1csc(N)n1)c1nc2ccccc2[nH]1 584900421 BXWYDEHIUAZDKG-NSHDSACASA-N 347.469 2.826 0 50 EFAA O=C(CN1CCCCCC1)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 952981817 NZGOTQSUWNLHLK-AZRLCKCBSA-N 334.504 2.556 0 50 EFAA CCC(CC)n1ncc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c1C 408517428 IYMCYIXVJIDGQT-NSHDSACASA-N 347.488 2.879 0 50 EFAA CCOC1(CNc2ccc3nnc(-c4ccncc4)n3n2)CCCC1 631282021 TYFFAPZYFFCFFD-UHFFFAOYSA-N 338.415 2.948 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(NC(C)C)CC2)c1C 169979209 GIJZYRZBAUPAHW-AWEZNQCLSA-N 333.476 2.868 0 50 EFAA CCc1nc(NS(=O)(=O)c2cc(Cl)sc2Cl)no1 170592877 CVWQTCLQUGJXQV-UHFFFAOYSA-N 328.202 2.801 0 50 EFAA CCOC(=O)N1CC[C@H](NC(=O)CCCSc2ccccc2)C1 170597993 UJEJDIILHQMSFM-AWEZNQCLSA-N 336.457 2.906 0 50 EFAA CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n1 170644152 WSNLIXJZNJURIT-PXNSSMCTSA-N 338.455 2.677 0 50 EFAA CC(C)(c1ccccc1)c1nnc(NC(=O)C2=CC[C@@H](N)C2)s1 637982840 HQLZANMXSTUPHZ-CYBMUJFWSA-N 328.441 2.850 0 50 EFAA Cc1cnc2c(c1)N(C(=O)CSCC(=O)c1ccccc1)CCO2 189777649 QVZHOZAPZSZHHA-UHFFFAOYSA-N 342.420 2.732 0 50 EFAA CNC(=O)c1cccc(CCN[C@H]2CCc3c(cccc3OC)C2)c1 192443262 VHELNFMACFHGKR-SFHVURJKSA-N 338.451 2.744 0 50 EFAA COc1cccc(CC(=O)NC2(c3ccc(F)cc3)CCOCC2)n1 192662433 IGWURIFOBTVNGN-UHFFFAOYSA-N 344.386 2.594 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)C3CCN(C4CC4)CC3)CC2)c1 192731456 VFTBRVUQNDKVFX-UHFFFAOYSA-N 341.499 2.826 0 50 EFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(=O)[C@@H](C)C1 193925792 JRHOMLHNGUGZTE-NSHDSACASA-N 331.803 2.885 0 50 EFAA CNC(=O)c1cccnc1NC[C@@H](c1ccccc1F)N1CCCC1 1529093962 CJXVCWYVLCCANB-KRWDZBQOSA-N 342.418 2.829 0 50 EFAA CSc1nc(N)cc(NCCC(=O)Nc2ccc(C)cc2C)n1 1529112619 PWQLRQFQGTVVQR-UHFFFAOYSA-N 331.445 2.838 0 50 EFAA Cc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1 1529190400 IJZDYGVZBUASTD-FGTMMUONSA-N 328.456 2.643 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN(CCO)Cc2cnc(C)[nH]2)c1 1704313357 OIQWCMYZGQXXEZ-UHFFFAOYSA-N 339.443 2.720 0 50 EFAA CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337740 COTSWIKGACLBRE-MBNYWOFBSA-N 340.345 2.692 0 50 EFAA Cc1cc(CCC(=O)N2CCC[C@H]2CN)ccc1Br 237599963 XLKFBRBPKJPSKX-ZDUSSCGKSA-N 325.250 2.640 0 50 EFAA CSc1ccc2c(C)cc(N3CCN4C(=O)OC[C@H]4C3)nc2c1 1704316559 UZGGHBUBJBQDTG-GFCCVEGCSA-N 329.425 2.906 0 50 EFAA O=C(C[C@H]1CNN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 1740818175 HVRGMNOCYSJVRU-LBPRGKRZSA-N 329.787 2.836 0 50 EFAA COc1cc(Br)cc(/C=C2\SC(=N)NC2=O)c1OC 7063998 XEQUMVSIYIJVLD-WTKPLQERSA-N 343.202 2.605 0 50 EFAA CCN(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 11714277 ZGNHMGKUHZHCPD-UHFFFAOYSA-N 346.383 2.947 0 50 EFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2cccc3c2OCO3)C1 11842038 KJJBMLVJJODFFI-IBGZPJMESA-N 349.427 2.597 0 50 EFAA Cc1ccccc1-n1nnnc1SCCC(=O)Nc1nccs1 12274094 PRRCUUAOTSPOSV-UHFFFAOYSA-N 346.441 2.548 0 50 EFAA CN1CCC(CC(=O)N[C@H]2CCCN(CC3CCCCC3)C2)CC1 12593569 IKZVAEHPADMQHH-IBGZPJMESA-N 335.536 2.879 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2=O)c1 15062308 IGHDCZCZQOASST-FQEVSTJZSA-N 326.440 2.746 0 50 EFAA CN(CCn1cnc2ccccc21)[C@@H]1CCC(=O)N(CC2CC2)CC1 1857666824 ODEHAEFUTLEQIK-QGZVFWFLSA-N 340.471 2.759 0 50 EFAA COc1ccc(-c2ccc(CN3C[C@@H]4CCOC[C@]4(CO)C3)o2)cc1 1857669698 YXWTYJZQBYPRSJ-OXJNMPFZSA-N 343.423 2.786 0 50 EFAA CC1(C(=O)N2C[C@@H](C(=O)O)C3(CCN(C4CCCCC4)CC3)C2)CC1 1857689389 CDXKPWMRUWYCEK-INIZCTEOSA-N 348.487 2.744 0 50 EFAA O=C1OC[C@@]2(Cc3ccccc3)CN(CCC(F)(F)F)CCN12 1857695064 RYWYTXHQWPQGQN-OAHLLOKOSA-N 328.334 2.688 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2cccc3cc[nH]c23)CC[C@H]1O 1875246875 DEYMISFNCCQSCX-VQIMIIECSA-N 328.412 2.606 0 50 EFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)n1 408030722 HOKSGRFEOGCFHF-NSHDSACASA-N 341.820 2.518 0 50 EFAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 408056240 FEWVQNNBDLOGHS-DOXZYTNZSA-N 331.412 2.961 0 50 EFAA O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCN(c2nccs2)CC1 225394438 SFFUGTWEENGDPK-NWDGAFQWSA-N 349.406 2.874 0 50 EFAA CCCn1cc(CNC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cn1 229703425 PGSGYXCMJPCXAW-DOTOQJQBSA-N 348.516 2.906 0 50 EFAA C[C@@H](c1ccccn1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1O 330032124 IQRLLPRXMKOJAJ-LBPRGKRZSA-N 340.358 2.945 0 50 EFAA O=C(CCc1ncc[nH]1)N1CCCN(c2ccccc2Cl)CC1 333481357 PIYNNJZPVWUDLR-UHFFFAOYSA-N 332.835 2.735 0 50 EFAA CSc1nc(O)nc(C)c1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 333572416 YIGROQMAXQYSOJ-UZTWBRENSA-N 333.457 2.721 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(CN)o1 237708241 VTYMILATHKNTHO-ZBEGNZNMSA-N 334.803 2.994 0 50 EFAA C[C@@H](Nc1ccc(OCC(N)=O)cc1)c1nc(-c2ccccc2)no1 130195621 FRTAGUMFDJMAFC-GFCCVEGCSA-N 338.367 2.774 0 50 EFAA COCC1(CNC(=O)NCC2(c3ccccc3)CCOCC2)CCC1 252496076 PETCRPAECCUIKT-UHFFFAOYSA-N 346.471 2.851 0 50 EFAA Cc1n[nH]c(SCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)n1 253430832 XRELHYMLMKEPPM-JOYOIKCWSA-N 340.811 2.670 0 50 EFAA Cc1cc(-c2nc(-c3cccnc3OCC(F)F)no2)cc(O)n1 358003185 MVDHOPFNXHUVEA-UHFFFAOYSA-N 334.282 2.852 0 50 EFAA Nc1ncnc(N2CCCN(c3ccc(F)c(F)c3)CC2)c1Cl 376470833 AMQXHMNTQOKTTP-UHFFFAOYSA-N 339.777 2.707 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccncc2C(F)(F)F)C1 263459532 VJSFHNBRMMXIEX-SNVBAGLBSA-N 330.306 2.817 0 50 EFAA C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cnn(C)n1 905245726 NMLKYUNYACWGQD-QMMMGPOBSA-N 334.228 2.798 0 50 EFAA Clc1cc(Br)cc2c1OCCN(Cc1cnn[nH]1)C2 934280592 RWDOEMFTCTWXOQ-UHFFFAOYSA-N 343.612 2.615 0 50 EFAA O=C(O)c1csc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c1 872161582 CKTWSHFFGIOWEQ-KRWDZBQOSA-N 335.400 2.765 0 50 EFAA O=C(NC12COC(C1)C2)c1cc(-c2ccc(Br)cc2)[nH]n1 1875299508 NDPITYGZJPVEMY-UHFFFAOYSA-N 348.200 2.500 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(OC4CCC4)CC3)n[nH]c21 1875394896 AINXNGIJCYZLHF-NEPJUHHUSA-N 333.432 2.606 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCCCc2ccc(C)cc2C)CC1 1875366257 FCHVHJZFPBUSFC-UHFFFAOYSA-N 328.456 2.777 0 50 EFAA C[C@H](C(=O)O)C(=O)N[C@H]1CSCc2ccc(Br)cc21 888096699 JCTFESHLDGVYRH-CPCISQLKSA-N 344.230 2.574 0 50 EFAA Cc1nc(CCNC(=O)N2CCOc3cc(F)ccc3C2)c(C)o1 888099956 JVYGFIFTEHFMQC-UHFFFAOYSA-N 333.363 2.577 0 50 EFAA O=C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)[C@@H]2CCCN12 888170915 VJXDCVZRFXEYQZ-OAHLLOKOSA-N 332.831 2.844 0 50 EFAA C[C@H]1[C@@H](N)CCN1C(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1775986595 OTISWXYEZQTYDQ-WPRPVWTQSA-N 327.306 2.628 0 50 EFAA CN(Cc1cc2ccccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1776002572 WDJLAQUVWLZJGA-OAHLLOKOSA-N 339.439 2.917 0 50 EFAA COCc1ncc2c(n1)CCN(Cc1cn(C)nc1C1CCCC1)C2 895692186 LMYOQDATQMJQIO-UHFFFAOYSA-N 341.459 2.572 0 50 EFAA CCOc1cccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)c1 618889 LSOGAVCJTPLHIE-KRWDZBQOSA-N 335.363 2.940 0 50 EFAA CO[C@@H]1CC[C@@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 2325803129 RRNMXYRSADECKQ-SJLPKXTDSA-N 345.439 2.981 0 50 EFAA Cc1ccc(CN(CC(=O)O)C(=O)c2cc3cccc(C)n3n2)cc1 2325865818 RFZNPNPLZOGYHE-UHFFFAOYSA-N 337.379 2.678 0 50 EFAA O=C(NCCc1cscn1)N1CCO[C@]2(CCc3ccccc32)C1 151666626 HAVCWVVMCYXSQE-GOSISDBHSA-N 343.452 2.569 0 50 EFAA COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1OC 153983 ZALHKXLZDWOSAC-UHFFFAOYSA-N 342.395 2.793 0 50 EFAA COc1ccc2oc(=O)c(C(=O)Nc3cccc(C(=O)O)c3)cc2c1 202019 RYZNKSQDEIFVJI-UHFFFAOYSA-N 339.303 2.752 0 50 EFAA biogenic O=C(c1ccc(O)cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 352089 HOUUJZSFWDPLLD-FZMZJTMJSA-N 328.290 2.645 0 50 EFAA CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccn1 836082 BZLHCVHTKSCLPS-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nc4ccccc4[nH]3)C1)CC2 2356145302 KPACAOZPARCRNR-FQEVSTJZSA-N 347.422 2.782 0 50 EFAA CC(C)c1nc(O)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356159436 AINRSRCIPAIUQA-NVXWUHKLSA-N 340.423 2.901 0 50 EFAA CCCN(CCC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917198 KUCBLULWOWZPIA-UHFFFAOYSA-N 340.427 2.757 0 50 EFAA CCn1c(SCC(=O)NCc2ccco2)nnc1C1CCCC1 6731738 TUAMETKTLHWLCN-UHFFFAOYSA-N 334.445 2.957 0 50 EFAA C[C@](O)(CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12)c1ccco1 225298717 QEFVMZKHVBTALR-RYGJVYDSSA-N 340.423 2.690 0 50 EFAA Cc1ccc(C)c(OCCN(C)C(=O)CN(C)Cc2cccnc2)c1 55119149 HTASTMPESBUMTR-UHFFFAOYSA-N 341.455 2.668 0 50 EFAA C[C@H](NC(C)(C)CNC(=O)NC1CCN(C)CC1)c1ccccc1 113579271 NMZZFAWDQPIPSR-HNNXBMFYSA-N 332.492 2.509 0 50 EFAA COC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1)c1ccco1 245432443 OMOIBCCWTVWHSJ-QLFBSQMISA-N 332.404 2.647 0 50 EFAA C[C@H]1CN(CCC2CCN(CC[C@H]3CCCN3C)CC2)C[C@@H](C)O1 245728399 VQHJOKNVJBIIKU-WSTZPKSXSA-N 337.552 2.682 0 50 EFAA CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C1=O 101268083 XMMQNOUKFCYDCF-HZSPNIEDSA-N 348.811 2.878 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c2cccc(C)c2n1 67773582 MIYNDMUFPONKHD-MRXNPFEDSA-N 325.412 2.544 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC[C@H](CN)C3)c(C)o2)c1 67447009 KXDXYLMTAPVXRM-CQSZACIVSA-N 345.443 2.838 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1Cn1cccn1 248178218 BORYJDXBBXVWKL-XIRDDKMYSA-N 325.412 2.686 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@H]1CCCc2sccc21 137400166 IBKZAQUJBAJTTI-NSHDSACASA-N 336.486 2.775 0 50 EFAA CCN(CC)Cc1nnc2sc(Cc3ccc(OC)cc3)nn12 61722184 HCFBBAQNEGMEQX-UHFFFAOYSA-N 331.445 2.627 0 50 EFAA F[C@H]1C[C@@H](CNCc2ccc3c[nH]nc3c2)N(Cc2nccs2)C1 328649362 VAVJBTSGQAMXEM-GJZGRUSLSA-N 345.447 2.722 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N[C@@H]1CCC[C@@H]1CCO 252478326 AJIPDIIOWIEXIK-BXUZGUMPSA-N 326.824 2.699 0 50 EFAA COc1cc(CC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc(OC)c1OC 71416161 JMQZIDZOEQANKI-GEEKYZPCSA-N 345.439 2.759 0 50 EFAA COc1cccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)c1 230193828 LJHSMOGCVIWVPA-CVEARBPZSA-N 329.400 2.889 0 50 EFAA O=C(Nc1ccc2nc(S)[nH]c2c1)c1ncoc1[C@H]1CCCO1 121735388 AASUVZHMBYIDLN-LLVKDONJSA-N 330.369 2.943 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 11814849 KQIOFCDCIPIOKK-HNNXBMFYSA-N 346.427 2.769 0 50 EFAA CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)(C)O 6605369 QHAVXKOIVDIWMW-UHFFFAOYSA-N 348.472 2.873 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 253369954 KLVWGGCKKNWVMK-PBHICJAKSA-N 341.459 2.625 0 50 EFAA Cc1nn(C)c(C)c1C(=O)C(=O)Nc1csnc1-c1ccccc1 328596584 FCFPKHODULJDLC-UHFFFAOYSA-N 340.408 2.982 0 50 EFAA Cn1cc([C@@H](O)C(=O)N2CCC[C@@H]2c2cccc3ccccc23)cn1 253406269 XQPOXEAETRCWLH-RTBURBONSA-N 335.407 2.970 0 50 EFAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccoc2C2CC2)cn1 253430527 JQIJTZOXEPKJJN-CQSZACIVSA-N 327.384 2.768 0 50 EFAA Cc1cccc2nc(CN(C)[C@@H](C)Cc3ccc(O)cc3)cc(=O)n12 125566440 YKOIDLAWOJKKPZ-HNNXBMFYSA-N 337.423 2.772 0 50 EFAA O=C(NCCSC1CCCC1)c1ccc(CN2CCOCC2)cc1 72442542 UFJMKWNYJLRPPX-UHFFFAOYSA-N 348.512 2.924 0 50 EFAA Cc1cc(C)c2cc(C(=O)NC3(CC(=O)O)CCOCC3)[nH]c2c1 262431892 FAFOGSQYIXCXPK-UHFFFAOYSA-N 330.384 2.538 0 50 EFAA CCCCCCN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)OC1=O 77505541 XQRPDWCUBQXBRP-UHFFFAOYSA-N 348.447 2.725 0 50 EFAA CC1(C)CCCN[C@H]1C(=O)NCc1ccccc1OC(F)(F)F 261864413 KSUOMXDVBYSDIE-ZDUSSCGKSA-N 330.350 2.980 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)c1 237302554 LRTBCKBBFWJUTB-INIZCTEOSA-N 326.352 2.766 0 50 EFAA O=C(CSc1ccncc1)NCc1cnn(Cc2ccccc2)c1 47186405 GCPMDBZDLFDJJF-UHFFFAOYSA-N 338.436 2.735 0 50 EFAA CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(NC)nc1 285015588 OBZMOAOHGRNCIZ-UHFFFAOYSA-N 329.400 2.803 0 50 EFAA O=C(O)CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 263390210 DLSBDNVYTLDIFW-ZDUSSCGKSA-N 332.381 2.726 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1 263432894 NWOZCXLLOKQHFI-KRWDZBQOSA-N 340.379 2.601 0 50 EFAA CCc1ccccc1C(=O)N1CCN(c2ccccc2OC)C(=O)C1 82086762 DISRCPZFLZRYLH-UHFFFAOYSA-N 338.407 2.747 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 82115412 HKPHPKKCJYZMOO-UHFFFAOYSA-N 338.455 2.809 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1F 178078470 RRWBGOUFUBDDCS-RDJZCZTQSA-N 349.450 2.503 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)o1 426420872 ZVMVHNVEDQKMMT-URLQWDBASA-N 349.427 2.867 0 50 EFAA O=C(C1CCCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95376151 HBYDSSHDOLENIT-XUVXKRRUSA-N 340.467 2.971 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)NCc1noc([C@@H]2CCCO2)n1 91706326 NXTMLQLJFRNQNV-JTQLQIEISA-N 336.417 2.739 0 50 EFAA OCc1ccccc1CN1CCN(Cc2ccc(F)c(F)c2)CC1 97547740 XDHSHMMHRHFRDB-UHFFFAOYSA-N 332.394 2.775 0 50 EFAA Cc1ccc([C@]2(C(=O)NCCc3nc(C)cc(O)n3)CC2(C)C)cc1 426401600 CGOBMETWCMUDGN-FQEVSTJZSA-N 339.439 2.826 0 50 EFAA COc1ccc(CCCC(=O)N2CCC3(CC2)OCCC[C@H]3O)cc1 91593222 OXAQIODKKVBABD-GOSISDBHSA-N 347.455 2.550 0 50 EFAA Cc1ccc2nc([C@H](C)NC(=O)N3CC(N4CCCCC4)C3)[nH]c2c1 426370633 SSZRNMPUVKUOFL-AWEZNQCLSA-N 341.459 2.812 0 50 EFAA CN(C)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C[C@H]1CCCO 91635866 UEGFTWDKUMZZLJ-WBMJQRKESA-N 342.842 2.644 0 50 EFAA CC(C)c1noc(C2CCN(C(=O)c3cn4ccsc4n3)CC2)n1 91893355 OHXMEIQLMHPDOQ-UHFFFAOYSA-N 345.428 2.922 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)c2ccc3nccn3c2)CC1 91593803 GYGYMFAOEKUNGY-UHFFFAOYSA-N 334.423 2.995 0 50 EFAA C1CCc2c(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)noc2C1 179498478 KYGKUJVOPQCMNW-CYBMUJFWSA-N 327.432 2.929 0 50 EFAA c1cnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1 95530923 ICGMFVZNCJVEIK-CYBMUJFWSA-N 326.429 2.562 0 50 EFAA CC[C@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CCN1C(C)C 96141226 PNFKDGGDVZJTDE-KRWDZBQOSA-N 330.476 2.627 0 50 EFAA CC(C)N1CC2(CCC1=O)CCN(Cc1ccc(CCN)cc1)CC2 91625416 DOPCEABKRQXRHG-UHFFFAOYSA-N 343.515 2.801 0 50 EFAA COCCOc1cccc(NC(=O)N2CC(n3nc(C)cc3C)C2)c1 96161668 GDOWBMBUVNDWQN-UHFFFAOYSA-N 344.415 2.614 0 50 EFAA Cc1ccnc(NCCNC(=O)[C@H]2CCOc3ccccc3C2)c1 95509176 DASKUKLKMGJMMZ-INIZCTEOSA-N 325.412 2.560 0 50 EFAA COCc1cc(CN(C)[C@H](C(=O)O)c2ccccc2SC)n[nH]1 95363225 XLMRWPBNLKJHIK-HNNXBMFYSA-N 335.429 2.536 0 50 EFAA COC(=O)c1cc(I)c(Cl)cc1OC 95836435 BELJKPCYQONTIG-UHFFFAOYSA-N 326.517 2.740 0 50 EFAA Cc1cc(C)c2c(NC3CCN(C[C@H]4CCCO4)CC3)ncnc2n1 95368173 ZRIUIBVKJLCZCX-MRXNPFEDSA-N 341.459 2.697 0 50 EFAA CN(CC(=O)NCCc1nc2c(s1)CCC2)Cc1ccccc1F 244811564 SGYDKZDFPODVQS-UHFFFAOYSA-N 347.459 2.562 0 50 EFAA c1ccc(NC[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)nc1 181362617 IDALPKYQJVEACI-AWEZNQCLSA-N 338.459 2.819 0 50 EFAA CCc1ccnc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c1 181777155 GTHIVYMITTXBDY-UHFFFAOYSA-N 343.452 2.612 0 50 EFAA C[C@@H]1CN(C(C)(C)CNc2nccc(C(F)(F)F)n2)C[C@@H](C)O1 298151169 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EFAA Cc1cc(C(=O)Nc2nnc3n2CCCC3)c(Br)s1 272512953 JOEKOMPPZADJLA-UHFFFAOYSA-N 341.234 2.999 0 50 EFAA COc1cccc([C@H](C)C(=O)NCc2ccnc(-n3cccn3)c2)c1 170591572 FSHWJYPRVZIFJK-AWEZNQCLSA-N 336.395 2.696 0 50 EFAA COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1 665651486 SDQUXBVUTPSECO-MEDUHNTESA-N 349.818 2.590 0 50 EFAA COc1cc(CN2CC[C@@H](NC(=O)c3coc(C)c3)C2)cc(OC)c1 188346129 CUIUBZRLDRHNAE-MRXNPFEDSA-N 344.411 2.610 0 50 EFAA Cc1nc(C)c(CCNC(=O)N2CCC[C@]2(CO)CC(C)C)s1 190606404 YDNKYOVSDPUKKH-QGZVFWFLSA-N 339.505 2.885 0 50 EFAA O=C(CN1CCN(C[C@H]2CCC=CO2)CC1)Nc1ccc(Cl)cc1 194084567 IZAAXWNNPQZMKS-QGZVFWFLSA-N 349.862 2.589 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)c1 653643022 SHSQLKDJGRRLHS-HNNXBMFYSA-N 341.363 2.734 0 50 EFAA O=C(O)C1(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)CC=CC1 663112592 MCWCJIQVTFQVBG-INIZCTEOSA-N 334.460 2.522 0 50 EFAA O=C(N[C@H]1CCCCC12OCCO2)c1cnc(-c2ccncc2)s1 764920918 JBZKYSWEWLBRMN-AWEZNQCLSA-N 345.424 2.621 0 50 EFAA 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COc1ccc(C2(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)CCCC2)cc1 131596478 KDRSHALXJRGEJD-HNNXBMFYSA-N 344.455 2.838 0 50 EFAA O=C(CCCOc1ccc(Cl)cc1)N1CC(F)(F)C[C@@H]1CO 673229304 HYPJDLGJLJSRQD-GFCCVEGCSA-N 333.762 2.728 0 50 EFAA Cc1ccc2cc(C(=O)N3CCO[C@@H](COC(C)C)C3)ccc2n1 364281907 NGENQUZCNQLPJF-QGZVFWFLSA-N 328.412 2.809 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)N2CC(c3nc(C)no3)C2)c1C1CC1 373087588 MWYKCDMZKKODRK-SNVBAGLBSA-N 329.404 2.663 0 50 EFAA Cc1cccc(C)c1CC(=O)N(C)C[C@@H]1CCCN1c1cccnn1 373193171 YETMVJKFROOVBP-KRWDZBQOSA-N 338.455 2.763 0 50 EFAA O=C(O)CC[C@H]1C[C@@H](C(=O)N2CCC(c3ccccc3F)CC2)CO1 901776867 XWGRPJLSPAVXMT-CABCVRRESA-N 349.402 2.802 0 50 EFAA CCN1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cncc(C)c3)C2)[C@@H]1C(C)C 903121733 VFYFYIAWVAUHNT-XLSIIYIISA-N 331.504 2.910 0 50 EFAA Cc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc2ccccc12 1704330500 XITRDPYLYAZGDU-UYAOXDASSA-N 325.456 2.826 0 50 EFAA CC1(C)CN(C(=O)Cn2cncn2)c2cc(C(F)(F)F)ccc2O1 906237301 JYASFMNSNVSAMO-UHFFFAOYSA-N 340.305 2.501 0 50 EFAA CN1C[C@H](CCNC(=O)Nc2csnc2-c2ccccc2)CC1=O 931742196 HKLPLUOVYSMMCY-GFCCVEGCSA-N 344.440 2.800 0 50 EFAA C=CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1262555545 XHJFHTPYDUTQAE-BXUZGUMPSA-N 326.799 2.543 0 50 EFAA O=C1CCN(CCCc2nc(-c3ccccc3)no2)CCCCCN1 934163872 WHGSXPZOEFNNJI-UHFFFAOYSA-N 342.443 2.661 0 50 EFAA CCCn1nc(C)c(C(=O)N(C)C[C@@]2(O)CCc3ccccc32)c1C 843957884 SKKUJPMAHHWBMY-FQEVSTJZSA-N 341.455 2.816 0 50 EFAA C/C(=C\Cl)CS(=O)(=O)CC(=O)N1c2ccccc2C[C@@H]1C 864091674 GKDYUTWXAWVNRV-OBIHZWKSSA-N 327.833 2.522 0 50 EFAA Brc1cccnc1N1CCC(NC2CCOCC2)CC1 952883178 RSVWNMOGBKUDJJ-UHFFFAOYSA-N 340.265 2.582 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCC[C@@H](CN=S(C)(C)=O)C1 952992946 GRXLHTSKXLMOOH-AWEZNQCLSA-N 338.473 2.583 0 50 EFAA Cc1nsc(Br)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 1875293375 NTTGFQNZDBJNKL-SFGNSQDASA-N 345.262 2.757 0 50 EFAA O=S(=O)([C@@H]1C[C@@H]2CCC[C@@H]21)N1CC(c2cnc3ccccc3n2)C1 1875298151 PNMHMSYZGCXMBC-XAYKYTGQSA-N 343.452 2.547 0 50 EFAA Cc1nccnc1C(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 1875277230 FCWZZQNTQNZKJS-UHFFFAOYSA-N 325.368 2.503 0 50 EFAA CN(C)CCn1nc(-c2ccccn2)nc1C[C@@H]1CCC(C)(C)CO1 1875349259 RXTZHCOOUJMDAN-HNNXBMFYSA-N 343.475 2.649 0 50 EFAA C[C@@H](Cn1cc(-c2ccccc2C=O)nn1)NC(=O)OC(C)(C)C 1875367297 OXWXJLRZXOLFBT-LBPRGKRZSA-N 330.388 2.671 0 50 EFAA CCn1nc2c(c1C(=O)N1CCC(C(C)(C)O)CC1)C[C@H](C)O[C@@H]2C 1875314270 PNHJPVCBBBEOTA-QWHCGFSZSA-N 349.475 2.548 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccn(C)n2)no1 888096939 WQKQREYMFMIHGF-CQSZACIVSA-N 325.372 2.597 0 50 EFAA C[C@H](CNc1ncc(Br)c2cccnc12)c1nncn1C 893400474 DSHVYTCPMRVOMP-SECBINFHSA-N 347.220 2.736 0 50 EFAA C[C@H](NCCOC(C)(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1775997333 BTLHJCDDXYZGCQ-AWEZNQCLSA-N 344.496 2.542 0 50 EFAA COC(=O)CSc1sc(C(=O)OC)c2c1C(=O)CC(C)(C)C2 2080317865 CEHXBPGOJXUBRW-UHFFFAOYSA-N 342.438 2.955 0 50 EFAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3cnccc3Oc3ccccc3)CC[C@H]21 910850937 FNQVPWXTJKALFZ-UKPHBRMFSA-N 338.363 2.667 0 50 EFAA CCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1 272214 GRTKSZPQUKBXCM-UHFFFAOYSA-N 334.811 2.537 0 50 EFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(C)cc1 311372 TUJYLAYDKKGPEO-UHFFFAOYSA-N 344.392 2.829 0 50 EFAA O=C(NC(=S)NC1CCCC1)c1ccccc1Br 359590 QFDWUHFENXGASD-UHFFFAOYSA-N 327.247 2.996 0 50 EFAA CCOC(=O)C1CCN(C(=O)COc2cc(C)cc(C)c2C)CC1 461214 COCIRMSAATXXSP-UHFFFAOYSA-N 333.428 2.792 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2c1CCCC2 614167 RQDXHCXTSBTPMG-UHFFFAOYSA-N 334.375 2.800 0 50 EFAA O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1050155 SNYKRLJKQASJLK-KGLIPLIRSA-N 348.830 2.720 0 50 EFAA COc1cccc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1 2356161460 WOGXKEWSCFTXFB-IEBWSBKVSA-N 335.444 2.769 0 50 EFAA COc1cc2c(Cc3ccc(OC)c(OC)c3)[n+](C)ccc2cc1O 4773133 AHAMSJOYQAFMCP-UHFFFAOYSA-O 340.399 2.987 0 50 EFAA CCn1c(SCC(=O)OC)nnc1[C@H](C)Oc1ccc(F)cc1 6726429 XFTJAUZFHLSLIK-JTQLQIEISA-N 339.392 2.842 0 50 EFAA C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)cn1)c1ccc(Cl)cc1 221790979 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CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc(Cl)c[nH]1 328622801 IQLIHNKNIJODJI-BBRMVZONSA-N 332.835 2.828 0 50 EFAA CC(C)S(=O)(=O)N1CC[C@@H](NCc2cccc3[nH]ccc23)[C@H](C)C1 252667716 DIAWWWLDVPMLHB-RHSMWYFYSA-N 349.500 2.706 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 72459068 NISQWLBYHLEFOD-INIZCTEOSA-N 346.471 2.508 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3sccc3C)CC2=O)c1 77453397 CQPOUSQMHRKYSJ-UHFFFAOYSA-N 344.436 2.550 0 50 EFAA CN(Cc1ccc2nsnc2c1)Cc1cn(-c2ccccc2)nn1 72157909 LEYGROHDPQESHI-UHFFFAOYSA-N 336.424 2.904 0 50 EFAA Cn1c(CN2CCCCC2)nnc1C1CCN(c2ccncc2)CC1 77339516 GIIIPVVCHKCTSO-UHFFFAOYSA-N 340.475 2.580 0 50 EFAA O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCNC1 151989264 MGNMWHMZVMLATJ-LLVKDONJSA-N 334.313 2.652 0 50 EFAA CC(C)[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)N1C[C@H](C)O[C@H](C)C1 332355548 PROXYISROJGBMD-OZVIIMIRSA-N 348.422 2.774 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 239591347 BAZIVBZHLURDJK-FOGDFJRCSA-N 331.338 2.560 0 50 EFAA CCN(Cc1nc(C)no1)C(=O)c1ccc(CCC(C)(C)O)cc1 72408370 VBUUMEOPXBPLQS-UHFFFAOYSA-N 331.416 2.744 0 50 EFAA Cc1cc(C)n([C@@H](C)Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)n1 333695021 JPJDDHLAXBBMJG-HRCADAONSA-N 345.447 2.612 0 50 EFAA O=C(O)[C@H]1C[C@@H]2C(c3cccnc3)=CC[C@H]1N2C(=O)c1ccccc1 35287530 BSSDKXJANAMJIC-RCCFBDPRSA-N 334.375 2.853 0 50 EFAA Cc1csc([C@H](NC(=O)N2[C@H]3CC[C@H]2COC3)C(F)(F)F)n1 333834180 LWKBJJPJWSOHHE-GUBZILKMSA-N 335.351 2.628 0 50 EFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccccc1Cn1cncn1 377583793 NIHAWQOTQHIJGE-FZKQIMNGSA-N 349.394 2.970 0 50 EFAA Cc1nn(C)c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c1Cl 71752179 AQGUGJNCWBNNSV-HNNXBMFYSA-N 346.862 2.601 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](C(=O)O)c3ccccc32)cc1F 177469537 XZMHNVRQLWFTGK-ZDUSSCGKSA-N 329.327 2.592 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCCC[C@H]1CCn1ccnc1 220393582 UUVVWUUMHFHHEU-INIZCTEOSA-N 337.427 2.704 0 50 EFAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2CCOC[C@H]2O)cc1F 223530304 BWBZLDMELBIBAK-RTBURBONSA-N 343.398 2.605 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)[C@H]2CCCC(C)(C)C2)(C(=O)O)C1(C)C 263532652 NFEYWOBRDOQVNS-VEVIJQCQSA-N 325.449 2.977 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)c2ccc(F)cc2n1 82137689 FQCALSIKQMKUAG-ZDUSSCGKSA-N 329.375 2.552 0 50 EFAA Cc1cnc2nc(-c3ccc([C@@H](C)N4CCOCC4)cc3)cnc2n1 426541807 ZGCIVMLPVKAOFC-CQSZACIVSA-N 335.411 2.788 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)c1cc([C@@H]2CCOC2)ncn1 426722397 HMVFHPAXZDCZMJ-CYBMUJFWSA-N 329.404 2.658 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCC3(CC2)[C@@H](O)C[C@H]3O)s1 91657087 APMIPLQNRMJCBD-CALCHBBNSA-N 344.480 2.826 0 50 EFAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC3)csc2C1 426623130 YAVXKCSJUFMOME-UHFFFAOYSA-N 331.441 2.757 0 50 EFAA O=C([C@@H]1CCNC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 97610036 LDSSXQJCLAVNKR-QGZVFWFLSA-N 343.858 2.916 0 50 EFAA Cc1ccc2nc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cn2c1 91586137 QNLOISNQYSZNEN-QGZVFWFLSA-N 339.370 2.996 0 50 EFAA CCCCOc1c(CN2CCC3(CC2)[C@@H](O)C[C@H]3O)cccc1OC 91713796 VMVXEEPWBYMVFM-HDICACEKSA-N 349.471 2.582 0 50 EFAA Cc1ccc([C@H]2CN(C(=O)CCC(=O)c3ccccc3)C[C@@H]2N)o1 91914685 PZMYCJLCRXKDFV-HOTGVXAUSA-N 326.396 2.504 0 50 EFAA CNCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 92061728 KOYWMAKOTVIYPU-MRXNPFEDSA-N 326.444 2.530 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cn1 181355632 VXVRPUQYPJDTEP-MRXNPFEDSA-N 336.399 2.666 0 50 EFAA COc1ccc(F)cc1[C@H](NC(=O)c1oc(C)nc1C)[C@H]1C[C@H](O)C1 244763817 OWAYRKCVZFTTIM-AXAPSJFSSA-N 348.374 2.681 0 50 EFAA CCN(C)Cc1cccc(CNC(=O)c2cn(-c3ccccc3)nn2)c1 299305265 SWGMBQQQKHKQBE-UHFFFAOYSA-N 349.438 2.649 0 50 EFAA O=C(Nc1ccc2nncn2c1)[C@H]1COc2ccc(Cl)cc2C1 182632753 BOCMIZLAUBEBHS-LLVKDONJSA-N 328.759 2.573 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)CO[C@@H]3CCCC[C@H]3CC)c12 184013548 IUJZSAUNZLOANQ-DGCLKSJQSA-N 333.436 2.783 0 50 EFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253592272 XWYBFXIUISNTQG-WIZXCHGNSA-N 348.483 2.747 0 50 EFAA CC[C@H](c1ccc(F)cc1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1 299742331 BFHQIBZQXJLHHO-QZTJIDSGSA-N 334.435 2.628 0 50 EFAA CC[C@H]1Cc2ccccc2CN1C(=O)NC1CCN(CCOC)CC1 184661981 OQEXDNQPYYNLKJ-IBGZPJMESA-N 345.487 2.644 0 50 EFAA Cc1cnc([C@H](C)NC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)[nH]1 534650564 HNJIATMCHPDYEK-ZDUSSCGKSA-N 340.427 2.803 0 50 EFAA C[C@@H]1CN(C)c2ccccc2CN1Cc1cc(-c2cnn(C)c2)no1 185020914 FGIWKPACTQNWSC-CQSZACIVSA-N 337.427 2.916 0 50 EFAA Nc1ncccc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299802459 MIWUYKLYUAYDHU-KSZLIROESA-N 336.439 2.506 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3cccn3C3CC3)CC2)nc1 299799152 VLPQQZMHVOUVLT-UHFFFAOYSA-N 325.412 2.650 0 50 EFAA Cc1ccc(NC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1Cl 299792565 HCOKKEQPTVSTPW-GJZGRUSLSA-N 347.806 2.618 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)c2cc(-c3ccncc3)[nH]n2)n1 584888193 QGSOXAAOMSWEDE-JTQLQIEISA-N 327.413 2.770 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)c2csc(-c3ncccn3)n2)n1 670459233 XCRUHKKTOPTJPZ-SECBINFHSA-N 344.400 2.598 0 50 EFAA CCc1nccn1CCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 952984479 WKNOGQPGBCACOM-UHFFFAOYSA-N 340.427 2.910 0 50 EFAA Cc1ccc2nc(CNC(=O)c3ccc(Cn4ccnc4)o3)[nH]c2c1 71763902 TYJHYVDWRHTEJX-UHFFFAOYSA-N 335.367 2.639 0 50 EFAA Cc1cnc(CCN(C)S(=O)(=O)c2ccc(F)c(F)c2)s1 167360566 OZJPRVLQJRMZCZ-UHFFFAOYSA-N 332.397 2.593 0 50 EFAA Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c2ccccc2c1=O 277230487 BIBKLLQUCHEILF-NVXWUHKLSA-N 338.407 2.512 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNC[C@@H]2CCOc3ccccc32)cn1 666433735 HHXLWMXNJOBJLE-YZVOILCLSA-N 327.428 2.654 0 50 EFAA O=C1CN(C(=O)[C@@H]2CCCC3(CC3)C2)CCN1Cc1cccc(F)c1 669172674 GSRQZFUADALFAV-MRXNPFEDSA-N 344.430 2.967 0 50 EFAA C[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@H]1n1ccnc1 190373517 JREYIDBLGOSCKP-SUMWQHHRSA-N 348.397 2.997 0 50 EFAA CN(Cc1ccon1)C(=O)C1(c2ccc(F)cc2F)CCOCC1 677742652 SOBPLCZRAUBBKN-UHFFFAOYSA-N 336.338 2.660 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC([C@@H]2CCCO2)CC1 195573825 SDAYCXURQANXOY-ACJLOTCBSA-N 348.491 2.569 0 50 EFAA Cc1cc([C@@H]2CN(C(=O)c3cc(C(C)(C)N)no3)CCO2)ccc1F 662792852 HZHRFILPHHHVOR-HNNXBMFYSA-N 347.390 2.530 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2nc(C(F)(F)F)cs2)C1 779874460 PWXYCFIEMKPSRX-HTQZYQBOSA-N 334.323 2.820 0 50 EFAA CCc1nn(C)c(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c1C 1529167462 KAGIZONFGIIIAH-CQSZACIVSA-N 327.432 2.541 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C(C)(C)C)CC2)OCC(=O)N1C 1529158789 LZVNOVGERRIUOA-SJORKVTESA-N 344.455 2.588 0 50 EFAA C[C@H](NC[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 5911973 HEBNAYZDCNQROW-NJSLBKSFSA-N 327.380 2.645 0 50 EFAA biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(F)cc1 11553009 QGIREIXGPOXJDQ-UHFFFAOYSA-N 336.388 2.637 0 50 EFAA O=C(CC1CC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12201085 ZOMLMIHVZOCBHU-ZDUSSCGKSA-N 340.345 2.723 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 12302134 PJCFBLRHRZPYML-OAHLLOKOSA-N 346.475 2.638 0 50 EFAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCCC1)C2 14540677 PRMQFDUUNKPKDC-INIZCTEOSA-N 344.503 2.872 0 50 EFAA COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)O 16622179 ZUQPUAFTUBWINH-NSHDSACASA-N 347.392 2.533 0 50 EFAA CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCC 19872033 ALURIORCXYGRTO-UHFFFAOYSA-N 342.867 2.559 0 50 EFAA CCc1ccc(N2C[C@H](c3noc(-c4cnccn4)n3)CC2=O)cc1 169755409 KFKMDXWCWXSPHV-CYBMUJFWSA-N 335.367 2.610 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)cc1C 1857713599 RSKGWXUCMAAMKT-LNLFQRSKSA-N 330.472 2.839 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C1 238097903 WIBRAGUGVZZIQO-QMMMGPOBSA-N 338.157 2.742 0 50 EFAA CO[C@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 225650032 MJTORIFLEAEUPY-YJBOKZPZSA-N 342.443 2.624 0 50 EFAA Cc1cncc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 122155465 HSAQNXOQIGXQPO-UHFFFAOYSA-N 346.475 2.746 0 50 EFAA Cc1oc(C(C)C)nc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643887228 JZFOLWSRWQHZHY-AWEZNQCLSA-N 343.431 2.940 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(C)cc1Br 333405206 GJHMFLJJQJCWDZ-LLVKDONJSA-N 349.232 2.814 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1C(=O)O 237651690 JWYPAKWXZCSWGS-CYBMUJFWSA-N 348.399 2.871 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cccc3nccnc23)c1 337525426 XNDBYVHEEAZJSE-RDTXWAMCSA-N 349.390 2.587 0 50 EFAA CC(C)(C)CN1CC[C@H](C2CCN(C(=O)c3ccnc(N)c3)CC2)C1 12465312 GODMLHLTMOHUHM-KRWDZBQOSA-N 344.503 2.884 0 50 EFAA C[C@@H](c1nnnn1C1CC1)N1CCO[C@@H](c2ccccc2Cl)C1 248802539 AJVSWFSCDSMNLB-XHDPSFHLSA-N 333.823 2.796 0 50 EFAA O=C(CC1CCCC1)NCc1nnc2ccc(C(F)(F)F)cn12 139679554 CBYGMGJTCFUKHT-UHFFFAOYSA-N 326.322 2.945 0 50 EFAA COc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 252481685 CQJHMIZXLVMVQO-XBVQOTNRSA-N 347.459 2.561 0 50 EFAA c1ccc2c(c1)CCC[C@H]2C[C@H]1CCCN1c1ccc2nnnn2n1 365076423 GQMXRQHMHCWXCK-JKSUJKDBSA-N 334.427 2.998 0 50 EFAA CN1C(=O)Cc2cc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)ccc21 365302275 AVENJRGAGCZKLD-MRXNPFEDSA-N 342.782 2.801 0 50 EFAA O=C(O)c1ccnc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 263433575 UMLDUCLLHQFXLL-MRXNPFEDSA-N 340.379 2.601 0 50 EFAA COc1cc(O)ncc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C 822389649 AGPVTCSVGNGWDR-RHSMWYFYSA-N 326.396 2.965 0 50 EFAA Cn1c(O)nnc1C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccsc1 930337176 QGPITVHPGDQVLD-JQWIXIFHSA-N 335.433 2.505 0 50 EFAA CCN1CCC(CNC(=O)c2cccc3nc(C(F)F)[nH]c23)CC1 930586283 AEUOCXURRUITCQ-UHFFFAOYSA-N 336.386 2.962 0 50 EFAA O=C(Nc1noc2c1CCCC2)N1CC[C@](O)(c2ccc(F)cc2)C1 934354817 IGPWJJRYBRRBKK-GOSISDBHSA-N 345.374 2.818 0 50 EFAA Cc1nc(C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2CC(=O)O)no1 872164894 XGOJKVSJXWGSRW-ALOPSCKCSA-N 341.411 2.916 0 50 EFAA Cc1nscc1CNc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1875283876 HHQCLNYJEGOOAE-UHFFFAOYSA-N 345.877 2.967 0 50 EFAA CCc1cnn(C)c1NC(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1875321373 GLYZCFMGZXIPHE-OAHLLOKOSA-N 341.415 2.968 0 50 EFAA COc1cnc2ncnc(N[C@@H](C)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 1875325958 IESGQLQXDPKETM-MJBXVCDLSA-N 329.448 2.812 0 50 EFAA C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc2c(c1)CCO2 895627289 DAWVQRIRSZUSSW-CJNGLKHVSA-N 331.460 2.855 0 50 EFAA C[C@@H](CNC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(Br)cc1 897079722 IBEZSUWCKXCZDF-MISXGVKJSA-N 341.249 2.717 0 50 EFAA COc1ccc2c(c1)c(C(=O)NC[C@@H](O)C1CC1)c(C)n2C1CC1 1776002128 HIYQXTTYHAYVCQ-QGZVFWFLSA-N 328.412 2.794 0 50 EFAA Cc1[nH]nc2ncc(CN3CC[C@@](O)(Cc4cccc(F)c4)C3)cc12 2325775519 BJXUCLMAIFZYMU-LJQANCHMSA-N 340.402 2.585 0 50 EFAA COC(=O)c1cc(C(=O)OC)n(Cc2cc(C(F)(F)F)cs2)n1 2325783234 GQXVKIMVOIEQFD-UHFFFAOYSA-N 348.302 2.585 0 50 EFAA Cn1ccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(=O)O)s1 2325784607 YVSRXQNYVHHWFJ-ZSBIGDGJSA-N 345.424 2.731 0 50 EFAA Cc1cccc(N2CC[C@H](NC(=O)Cc3ccn4cncc4c3)C2)c1 2325805386 DPQHGNAWMCMKBI-KRWDZBQOSA-N 334.423 2.580 0 50 EFAA CC(C)(C)[C@H](NC(=O)c1cnc2ncc(Cl)cn12)c1ncccn1 2325811436 ZQRDVFQJUDCPBM-GFCCVEGCSA-N 344.806 2.690 0 50 EFAA COc1ccc(OC)c(NC(=O)CSc2nnc(C)s2)c1 375355 BISYTDCHUVGMHI-UHFFFAOYSA-N 325.415 2.595 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2ccccc2F)c(OC)c1 452042 OLPRWMVGAILTPA-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 615816 YTZGMZFHWDZDMH-UHFFFAOYSA-N 329.381 2.557 0 50 EFAA COc1ccccc1OCCSc1nnc(-c2ccccc2)n1N 2842302 ROJBPCTXVWMWEO-UHFFFAOYSA-N 342.424 2.839 0 50 EFAA COc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1OC 4873185 ITMOHMQHLVWEJK-MRXNPFEDSA-N 339.391 2.822 0 50 EFAA Cc1cccc(-n2cc(CN(C)C(=O)CCN3CCCCO3)cn2)c1 55254036 JUNVULXLMXWOND-UHFFFAOYSA-N 342.443 2.557 0 50 EFAA COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc(C)c1C 100276133 JNOPBKWZCJZEDV-DJIHRAIXSA-N 349.408 2.613 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2C)C1 10302243 HGLHMGYIEVOZNB-GFCCVEGCSA-N 344.864 2.649 0 50 EFAA O=c1[nH]c2ccccc2cc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 225650894 WJHZGJSCWNQLKM-IEBWSBKVSA-N 338.382 2.975 0 50 EFAA CN(C)CCNCCOCCOc1ccccc1-c1ccccc1 20418770 YBNGCGQBBBCNTH-UHFFFAOYSA-N 328.456 2.900 0 50 EFAA COCCN(Cc1cccs1)C(=O)c1cccc(-n2cnnc2)c1 55227937 CQAATGARHQPXID-UHFFFAOYSA-N 342.424 2.618 0 50 EFAA CCC[C@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1N(C)C2=O 55211979 KTBOWTMJGXLUBT-AWEZNQCLSA-N 329.444 2.872 0 50 EFAA COc1cccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1 20999181 KSJYXUPLYFDGEN-IBGZPJMESA-N 332.488 2.897 0 50 EFAA CN(C)CCN(C)[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 20542108 BQBMUOOWDFNAIE-OAHLLOKOSA-N 327.875 2.937 0 50 EFAA NC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1 247703081 BBMCXGIWZLBNRG-HRCADAONSA-N 328.799 2.786 0 50 EFAA COc1ccc(CN(C)C(=O)CCN2CCC[C@@H](C)C2)cc1OC 20999783 YXHSLUYAGKCZOX-OAHLLOKOSA-N 334.460 2.784 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)o1 229305324 BXVYTOQZUUTIKT-HNJNHCNJSA-N 326.396 2.678 0 50 EFAA CCN1CCN(C(=O)c2nc(-c3ccccc3)cs2)C(C)(C)C1=O 188117708 YBNAJRDAXGJIIM-UHFFFAOYSA-N 343.452 2.893 0 50 EFAA O=c1c2cccnc2ncn1CC[C@@H]1CCCCN1C1CCCC1 32576431 FVMUMCKXOAKLAR-INIZCTEOSA-N 326.444 2.979 0 50 EFAA CN(C)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nn1 71763275 FSBQSCPODJJREJ-INIZCTEOSA-N 326.444 2.990 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)c2ccnn2CC(F)F)cs1 279714756 KVWACOPFJDCMDI-LLVKDONJSA-N 326.372 2.890 0 50 EFAA C[C@@H]1CCN(C(=O)COC(=O)C2(O)CCCCC2)[C@H]2CCCC[C@H]21 229764894 QDBXSENWZKOMAR-PMPSAXMXSA-N 337.460 2.652 0 50 EFAA CC(C)n1cc(C(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)cn1 77440222 DMSVRRSCUQXZLA-HNNXBMFYSA-N 326.400 2.594 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccnn1C(F)F 77385831 OLZBUBCAWMRLDR-UHFFFAOYSA-N 331.326 2.736 0 50 EFAA O=C(Cc1cn2ccccc2n1)N[C@@H]1CCCN(Cc2ccccc2)C1 121534064 ZPNCYDOOJDCRIN-GOSISDBHSA-N 348.450 2.658 0 50 EFAA O=C(COCCOc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253395386 DJJSXARQDPPINM-OTWHNJEPSA-N 347.455 2.624 0 50 EFAA CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[nH]n1 153235488 WZHXBMBRTWIPSK-CQSZACIVSA-N 346.475 2.618 0 50 EFAA Cc1ccnc(N2CCC(Oc3ccc(F)cc3C)(C(=O)O)CC2)n1 72433720 ZRGXROPQPUPALP-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)CCc1ccc(F)c(F)c1)C1CC1 219854615 GIZDYMUPPMBKBW-INIZCTEOSA-N 334.370 2.776 0 50 EFAA CN1Cc2ccccc2[C@H](NC(=O)c2cc3nccnc3cc2F)C1 370490313 GWEXJXIIBBPCSQ-GOSISDBHSA-N 336.370 2.685 0 50 EFAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72164404 UVWSXUCUPCXVQE-LBPRGKRZSA-N 325.368 2.615 0 50 EFAA Cn1ncnc1CCn1ccnc1-c1cnc(C2CCCCC2)nc1 72422823 WPCGPKURDKCGSG-UHFFFAOYSA-N 337.431 2.759 0 50 EFAA Cc1ccnc(NC[C@H]2CCN(Cc3ncnn3-c3ccccc3)C2)c1 374060600 DFNZISIXIAACIL-QGZVFWFLSA-N 348.454 2.905 0 50 EFAA CN(C)c1ccccc1N(C)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 128695904 AAYUPZQEGBEEJZ-CYBMUJFWSA-N 343.393 2.990 0 50 EFAA CCn1cc([C@@H](C)NC(=O)NCc2ccc(OCC3CC3)nc2)cn1 454428884 RFPWMBLDOGGDSK-CYBMUJFWSA-N 343.431 2.647 0 50 EFAA CC(C)C[C@H](O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72435001 PODCWDMEGZWFPU-INIZCTEOSA-N 333.407 2.815 0 50 EFAA CCc1ccccc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 72151473 DXXWUDYNUIPGNU-QGZVFWFLSA-N 340.398 2.919 0 50 EFAA CCn1c(C)nnc1SCCn1ccnc1-c1cccc(C)n1 77287441 OIBJBZJXKBMLOO-UHFFFAOYSA-N 328.445 2.966 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 172174184 ZOSMPRKDQSVCOU-UHFFFAOYSA-N 340.471 2.692 0 50 EFAA CCCN1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)C[C@H]1C(=O)O 72436166 GONIAPAGFPNEIP-INIZCTEOSA-N 348.443 2.688 0 50 EFAA Cc1ncn(CCNC(=O)Cc2ccccc2C(F)(F)F)c1C 220547379 JHXUGZVPEXQJOX-UHFFFAOYSA-N 325.334 2.878 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCC[C@@H]3CO)s2)c1 131366668 QRNGLWLADYXRQW-CYBMUJFWSA-N 332.429 2.811 0 50 EFAA CC(C)(O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1 48246252 GLFYCEOPSDIWRG-UHFFFAOYSA-N 334.464 2.639 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)c1C 263453927 OSUFBCIBXHGJQV-OAHLLOKOSA-N 342.395 2.602 0 50 EFAA NC(=O)[C@@H](c1ccccc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 285395830 CHSNEFXLQQRBGZ-IFMALSPDSA-N 349.478 2.811 0 50 EFAA CCn1ncnc1[C@H](NC(=O)c1cccc2c1NCCC2)C1CC1 426414352 KTUNKRZVYZEALP-MRXNPFEDSA-N 325.416 2.537 0 50 EFAA O=C(c1onc2c1CCCC2)N1CC[C@@H](Cc2cccc(CO)c2)C1 426700087 SGEARZNUGUKIFT-HNNXBMFYSA-N 340.423 2.751 0 50 EFAA CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccccc1OC1CC1)CC2 287364555 KBNFMPNQVAPQFG-ZDUSSCGKSA-N 340.427 2.688 0 50 EFAA Cc1cccc2nc(CNC(=O)N(C)Cc3cc(C4CC4)on3)cn12 426575066 SGGLQQPXGQTOQC-UHFFFAOYSA-N 339.399 2.850 0 50 EFAA C[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)C1=CCCCC1 426574932 ARYLRCPMNIIGNZ-LLVKDONJSA-N 330.367 2.812 0 50 EFAA O=C(c1cc(Cl)c[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O 426370330 IBCDEPOBPTXAGJ-UHFFFAOYSA-N 344.802 2.707 0 50 EFAA Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1OCC[C@@H]1C(C)C 288661307 RNVVSLWDJRFLEA-NVXWUHKLSA-N 330.428 2.887 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 237653376 BZKRRUYMEJBNQY-FQEVSTJZSA-N 337.375 2.854 0 50 EFAA CCCN1CCC(Cc2noc(CCc3c(C)nn(C)c3C)n2)CC1 95374258 AVMMJKLUSFUYPW-UHFFFAOYSA-N 345.491 2.870 0 50 EFAA O=S1(=O)CC[C@H](c2nc(-c3ccncc3)nn2C2CCCCC2)C1 96139275 RVJMQYHNPXCLOP-AWEZNQCLSA-N 346.456 2.747 0 50 EFAA CCc1cc(CN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)on1 95518473 UTVONZXVMIKIPZ-AWEZNQCLSA-N 331.416 2.701 0 50 EFAA O=C(NC[C@H]1CCCN(c2ccccn2)C1)Nc1ccc(F)nc1 96132603 ABBIWFNAESTPLQ-CYBMUJFWSA-N 329.379 2.654 0 50 EFAA CCc1nc(CN2CCC[C@@H](c3nccn3CCOC)C2)cs1 92062259 FGCWWBWMJADCAU-CQSZACIVSA-N 334.489 2.928 0 50 EFAA Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC(c3cc[nH]n3)CC2)n1 426678257 YRFVFHRCXVYZRY-CYBMUJFWSA-N 345.472 2.703 0 50 EFAA CCc1csc(CCNC(=O)c2cnc(-c3cccnc3)nc2)n1 95375673 VHYMQVFHCFUWDS-UHFFFAOYSA-N 339.424 2.530 0 50 EFAA CCN1C[C@@H](C(=O)N2CCC(Sc3ccc(C)cc3)CC2)CC1=O 91536420 VDKWGGQZEBZFQV-HNNXBMFYSA-N 346.496 2.947 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1COc2ccccc2C1 95503105 BWOXMSBUQJKBJZ-INIZCTEOSA-N 349.390 2.946 0 50 EFAA CC(C)c1nnsc1CNC(=O)c1ccc(-c2cc[nH]n2)cc1 91620360 BPTAVNOYGMMSRP-UHFFFAOYSA-N 327.413 2.982 0 50 EFAA CCc1nnc(CNC(=O)[C@@H](CC)Sc2nc3ccccc3o2)o1 244774068 PNGZDALJYAOFIV-GFCCVEGCSA-N 346.412 2.960 0 50 EFAA CNc1nc(C)cc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)n1 294459138 WFMGZTZFAKDBNP-AWEZNQCLSA-N 337.427 2.846 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ocnc1-c1ccccc1 295176464 SHEXAKJBSYQHGH-CYBMUJFWSA-N 337.383 2.760 0 50 EFAA O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1COc2ccccc2C1=O 181595495 CFQFJTWAHLEZPR-QGZVFWFLSA-N 334.375 2.861 0 50 EFAA Cc1c(NCc2c(Cl)cccc2N2CCN(C)CC2)cnn1C 181967659 REMKDQMXBIPQAK-UHFFFAOYSA-N 333.867 2.746 0 50 EFAA COC(=O)C[C@H](c1ccc(O)cc1)c1oc2ccccc2c(=O)c1O 253408051 KIVKIDBFKKVFPV-CQSZACIVSA-N 340.331 2.899 0 50 EFAA biogenic COCCN(Cc1ccsc1)C(=O)N[C@H](C)C1CCN(C)CC1 534585495 OXDIBQCRORTVOM-CQSZACIVSA-N 339.505 2.636 0 50 EFAA Cc1nccn1C[C@H](C)NC1CCN(Cc2ccccc2F)CC1 534590060 ZZHUTRCIYWTGQD-HNNXBMFYSA-N 330.451 2.973 0 50 EFAA CCO[C@@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)C12CCOCC2 184104467 KOHDJHDKNXEGDB-VXGBXAGGSA-N 331.338 2.882 0 50 EFAA CCSc1ccc(NC(=O)N(CCO)Cc2nccn2C)cc1 299789289 ZNPFXDOBFIPNJB-UHFFFAOYSA-N 334.445 2.559 0 50 EFAA CCc1nnc(CNC(=O)Nc2ccc3nc(C)c(C)nc3c2)s1 299773107 CUBQUNVXORKOMB-UHFFFAOYSA-N 342.428 2.982 0 50 EFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCCN1CCOCC1 827802470 OFJFHSBMBXVIKY-SFHVURJKSA-N 342.439 2.640 0 50 EFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(CCCOc1ccc(F)cc1)C2 1073373880 RJXUKKSHSKLRHX-RDJZCZTQSA-N 349.450 2.672 0 50 EFAA C[C@@H](N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C)c1ccncc1F 685940764 HROCZWXHHATODY-LALPHHSUSA-N 333.411 2.507 0 50 EFAA CO[C@@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1)c1ccccc1 1339050042 MLDBYQXHSYSKPS-RTBURBONSA-N 348.406 2.667 0 50 EFAA CC1CC(CS(=O)(=O)N2CCc3c(cnn3-c3ccccc3)C2)C1 1423596492 DYDIZVAVGDHWDX-UHFFFAOYSA-N 345.468 2.606 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CC(C(C)C)=NO1 952871672 ANPDMEMHGOGBOC-QGZVFWFLSA-N 343.427 2.970 0 50 EFAA O=C(c1sccc1Cl)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1565505763 QLMVJZGTWSBLQL-STQMWFEESA-N 342.892 2.568 0 50 EFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc3c(c2)CCC[C@@H]3O)c1 170617703 KJBHBWGBQXRCKC-HNNXBMFYSA-N 335.429 2.635 0 50 EFAA Cc1cc2c(N3CCN(CC[C@@H]4CCCO4)CC3)ncnc2s1 190071800 VBDPDZDRRAJTAK-AWEZNQCLSA-N 332.473 2.691 0 50 EFAA O=C1C[C@H](C(=O)NCc2cc3c(s2)CCCC3)[C@H]2CCCC[C@H]2N1 666695210 SIHIEOJVUDTENS-OWCLPIDISA-N 346.496 2.938 0 50 EFAA CO[C@@]1(c2nnc(CN3CCCc4ccc(C)c(C)c43)o2)CCOC1 644271970 BHQOQGPZHGNDBM-IBGZPJMESA-N 343.427 2.901 0 50 EFAA O=C(NCCN1CCc2ccccc2C1=O)c1cc2sccc2[nH]1 192221444 JESPPPZYYLPOLO-UHFFFAOYSA-N 339.420 2.658 0 50 EFAA CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1ccc(C)cc1 195195270 YENQFCIBWOWJJX-UHFFFAOYSA-N 342.424 2.642 0 50 EFAA O[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1Cc1ccc2ccccc2n1 1704326516 YXXZGSPIJSTFNE-OXQOHEQNSA-N 346.434 2.942 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)[C@]1(c2ccc(F)cc2)CC1(C)C 1704329332 RCDFSUHFLLDTHF-LJQANCHMSA-N 345.418 2.546 0 50 EFAA CN(C)CC1(CO)CCN(Cc2cccc(C(F)(F)F)c2)CC1 1772708406 BRHIPUANAZCTOU-UHFFFAOYSA-N 330.394 2.842 0 50 EFAA Cc1ncc(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)n1C 1775981968 KWMVAIZOVGPYQR-NSHDSACASA-N 336.399 2.521 0 50 EFAA Cc1ccccc1C(=O)NCCNc1ccc(Nc2ccncc2)nn1 11697764 UYALAEOWCZNOCW-UHFFFAOYSA-N 348.410 2.766 0 50 EFAA OC1CCN(Cc2ccc3c(c2)CN(Cc2ccco2)CCO3)CC1 12121564 ZYKONMAZVCEMKH-UHFFFAOYSA-N 342.439 2.631 0 50 EFAA COc1cc2nc(N(C)C)c(CNC(C)C)cc2c(OC)c1OC 12280065 YUKXFRHPUJLJQA-UHFFFAOYSA-N 333.432 2.825 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)cc2)n2ncnc2N1 13124468 NLOBXDNWPMSWNW-OAHLLOKOSA-N 328.372 2.616 0 50 EFAA CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(N)=O)cc1 14398369 DPYUZIBRUWFDDD-INIZCTEOSA-N 328.368 2.590 0 50 EFAA COCc1nc2ccccc2n1C[C@H](O)COc1cccc(C)c1 16903761 JHBWKKHKQQYURE-HNNXBMFYSA-N 326.396 2.931 0 50 EFAA c1c(CC2CCCCC2)nnn1C1CCN(C[C@H]2CCCN2)CC1 19795131 BKQJYZQAKHRWOY-QGZVFWFLSA-N 331.508 2.790 0 50 EFAA Cc1nocc1C(=O)N1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 1857532017 RRRORZVTSKCNAP-ACJLOTCBSA-N 342.399 2.512 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@H](/C=C/c2ccccc2)C(=O)O)CC1 4241842 SJGWOAUBXYMANH-ZNFPLGDCSA-N 346.427 2.706 0 50 EFAA in-vitro Cc1c(C)c(C)c(S(=O)(=O)NCCc2cnccn2)c(C)c1C 330637843 GHWDGXZQGCBOQR-UHFFFAOYSA-N 333.457 2.540 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1CCc2cccc(C(=O)O)c2C1 649258212 LIOVDXBAQUPXRE-JTQLQIEISA-N 328.368 2.678 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 344802414 CNGDDVNZNARRNN-KBPBESRZSA-N 336.819 2.626 0 50 EFAA C[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@@H](c2ccco2)C1 162958975 RUFLIPAMQMRCPW-SMDDNHRTSA-N 328.372 2.779 0 50 EFAA C[C@@H](c1ccccc1)n1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)n1 910637687 IDCBLHPEUBTAFZ-KAMYHZANSA-N 325.368 2.686 0 50 EFAA C[C@@H]1CN(CCNC(=O)Nc2csnc2-c2ccccc2)CCO1 931737674 MBGRGXGJJBLZMI-CYBMUJFWSA-N 346.456 2.652 0 50 EFAA CC(C)Oc1c(F)cc(NC(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1F 871656524 MQIKMPSANNUHHY-KYZUINATSA-N 328.315 2.737 0 50 EFAA COc1cccc(OC)c1Cc1nc(C2C[C@@H]3CC[C@H](C2)N3)no1 871796099 IEMZHVVGJPITPE-YHWZYXNKSA-N 329.400 2.676 0 50 EFAA COC(=O)C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 1875298894 RELFEUAWOZFATL-LLVKDONJSA-N 347.802 2.755 0 50 EFAA O=C(NC[C@@H]1CCOC1=O)c1ccc(-c2nc3ccccc3s2)o1 1875341081 FSAQNMPKOBUCAF-JTQLQIEISA-N 342.376 2.849 0 50 EFAA C=CC(=O)N(Cc1cc2ccccc2o1)[C@@H]1CCN(C(=O)CC)C1 1875388935 VZJRBQMUTXRNML-OAHLLOKOSA-N 326.396 2.958 0 50 EFAA Cc1ccc2sc(N3CCc4c(O)nc(O)nc4C3)nc2c1C 1875306375 CKDAPLGOVPMZPZ-UHFFFAOYSA-N 328.397 2.677 0 50 EFAA O=C(N[C@H]1CCOC12CCCC2)c1ccnc(OCC(F)(F)F)c1 890418286 VWTXIXVCVJEDON-LBPRGKRZSA-N 344.333 2.854 0 50 EFAA C[C@@H](CNC(=O)N1CCC(O)CC1)c1ccc(Br)cc1 897078382 SFKJIEPWQFPDGW-NSHDSACASA-N 341.249 2.719 0 50 EFAA c1ccc2c(c1)CC[C@]21CCN(c2nnnn2C[C@@H]2CCSC2)C1 2325764967 JYCICZDHYBZYDX-KBXCAEBGSA-N 341.484 2.521 0 50 EFAA C[C@H](c1ccncc1)N(C)C(=O)c1csc(C[C@@H]2CCNC2)n1 2325778959 XKNXRJGCMLHXMP-OLZOCXBDSA-N 330.457 2.523 0 50 EFAA CCn1ncc2c(C(=O)N[C@@H](CC(C)C)C(=O)O)cc(C3CC3)nc21 2325797860 YLAOWQMVGUSYRR-HNNXBMFYSA-N 344.415 2.558 0 50 EFAA COc1cc(CN2C[C@H](CC(=O)O)OC3(CCC3)C2)cc(OC)c1C 2325798349 SDYYFBPREIQROH-HNNXBMFYSA-N 349.427 2.610 0 50 EFAA COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 53694 GFMUOHMXSGNQTF-LJQANCHMSA-N 329.396 2.956 0 50 EFAA biogenic CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2Cl)S1 285474 JCJKCGKPVKJFSB-LLVKDONJSA-N 332.212 2.994 0 50 EFAA COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1OC 472198 PHIQIODIRKGEJM-UHFFFAOYSA-N 344.367 2.923 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)s1 104411873 ZXDLQTOULQIVFE-GOSISDBHSA-N 345.512 2.829 0 50 EFAA CN1CCO[C@@H]([C@@H](NCc2ccccn2)c2ccc(Cl)cc2)C1 222049406 RWQJUIFAEFVBGT-MSOLQXFVSA-N 331.847 2.897 0 50 EFAA CSc1nnc(CC2CCN(Cc3ccc(O)cc3)CC2)n1C 55284208 DARDDWLLTBOADL-UHFFFAOYSA-N 332.473 2.697 0 50 EFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1CCOc1ccc(F)cc1Cl 225630822 CMCPGKHIQBGXTG-CWRNSKLLSA-N 343.826 2.720 0 50 EFAA CN1CCN(CCOc2ccccc2OCc2ccccc2)CC1 20652792 BMSVWXIUGVMSEV-UHFFFAOYSA-N 326.440 2.892 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 55393216 LSAWPICOVXGXPR-ZDUSSCGKSA-N 348.472 2.783 0 50 EFAA O=C(c1cc2sccc2[nH]1)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 102182038 UPDVEZIDPVLCLM-JMSVASOKSA-N 343.452 2.702 0 50 EFAA Cc1nn(C)c(C)c1CN(C)C(=S)Nc1ccc2c(c1)OCCO2 6399430 KVULBXSVVYKUPU-UHFFFAOYSA-N 346.456 2.637 0 50 EFAA Cc1nn(C)cc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67674647 RNYKICOJJWIKNO-AZUAARDMSA-N 349.434 2.872 0 50 EFAA O=C(CN1CCC[C@H]1Cn1cccn1)N1CCC[C@H]1c1cccs1 247769270 NAVWJRUHCDWPPL-HOTGVXAUSA-N 344.484 2.773 0 50 EFAA COCCC1(CNC(=O)Nc2ccc(-n3ccnn3)cc2)CCCC1 134893713 CBIIIRBPTLMZAW-UHFFFAOYSA-N 343.431 2.986 0 50 EFAA C=Cc1cccc(CN2CCC[C@]3(CCN(C(=O)COC)C3)C2)c1 67788266 SUWQZKKHVHCPBT-FQEVSTJZSA-N 328.456 2.791 0 50 EFAA CN(CCCOc1ccc(Cl)cc1)C(=O)CCc1ccnn1C 120342605 PCEJALAKVGZNSZ-UHFFFAOYSA-N 335.835 2.934 0 50 EFAA Cc1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c(O[C@H]2CCOC2)c1 279794888 GMIRNSNTWHRIER-ZOBUZTSGSA-N 345.439 2.784 0 50 EFAA Nc1nccc(N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)n1 67675973 BXLARALRICAZSE-OAHLLOKOSA-N 334.427 2.757 0 50 EFAA C[C@H]1CCCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)C1 67620886 VKWAPUDNMAQGIQ-NSHDSACASA-N 344.864 2.608 0 50 EFAA CCC(=O)N[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 252493874 NFRDLOVMGBVVAJ-CQSZACIVSA-N 348.397 2.641 0 50 EFAA Cn1cc(Cl)cc1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 252477928 XVZHPTRAMDYPFC-RRFJBIMHSA-N 337.851 2.825 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F 4916900 GOHUTLCNVJFOPS-AWEZNQCLSA-N 335.375 2.673 0 50 EFAA CC(C)c1noc(C2CCN(Cc3cccc(OCCO)c3)CC2)n1 215021617 ODAUIVBLHFDSNH-UHFFFAOYSA-N 345.443 2.944 0 50 EFAA CCn1cc(CNC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cn1 6395986 QWMYJQFBIFQTKT-UHFFFAOYSA-N 342.424 2.804 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](c3ncon3)C2)sc2cccc(F)c12 253430515 QTVPHBMWMDMNNW-LLVKDONJSA-N 347.371 2.946 0 50 EFAA Cc1ccn(C2CCN(C(=O)[C@H]3Cc4cccc(C)c4O3)CC2)n1 451277833 MVOXSCAXUHYAGD-QGZVFWFLSA-N 325.412 2.667 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 77389098 AUMBZQRGMAGJEO-KRWDZBQOSA-N 349.438 2.701 0 50 EFAA Cn1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 253623468 VNWWDAOIPAWUQO-SWLSCSKDSA-N 325.334 2.747 0 50 EFAA Cc1nn(C)c2ncnc(NCCc3nccc(-c4ccccc4)n3)c12 72447534 BYSAVYDQFPYVBO-UHFFFAOYSA-N 345.410 2.783 0 50 EFAA CC(C)c1nccn1CCCNC(=O)[C@@H](O)c1cccc(Cl)c1 216534450 HRMVUCZSNURXMR-HNNXBMFYSA-N 335.835 2.900 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CCSC[C@H]2c2cnn(C)c2)c1C 331612766 MNLVMJMPQDBTHM-LRDDRELGSA-N 347.488 2.826 0 50 EFAA Cc1ccccc1[C@@H]1CN(c2cncc(-n3cccn3)n2)[C@@H](C)CO1 280812199 WZBTZQKOUBPIIY-RDJZCZTQSA-N 335.411 2.937 0 50 EFAA CC(C)[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)N1C[C@@H](C)O[C@H](C)C1 332355545 PROXYISROJGBMD-HSMVNMDESA-N 348.422 2.774 0 50 EFAA CC(C)CN(C(=O)CN1CCO[C@@]2(CCc3ccccc32)C1)C1CC1 158802328 XGMZVNIFJRLPFD-NRFANRHFSA-N 342.483 2.807 0 50 EFAA O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 32100823 YTQCFJYASZPOFK-CYBMUJFWSA-N 328.343 2.519 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1noc(C2CCC2)n1 217093669 LQDPJXGFVUAFNS-GFCCVEGCSA-N 331.420 2.577 0 50 EFAA Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)o1 371806497 GBWZSLXHAOEKLC-DZGCQCFKSA-N 330.432 2.842 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC(OCCCc3ccccc3)C2)cc1 262308375 PELAIOBQDHADMP-UHFFFAOYSA-N 339.391 2.859 0 50 EFAA Cc1c(C(=O)N(CC(=O)O)C2CCOCC2)oc2c(C)cccc12 237751310 HEQLRLMVRJHYSR-UHFFFAOYSA-N 331.368 2.755 0 50 EFAA Fc1ccc(CN2CCN(C(=S)NC3CC3)CC2)c(Cl)c1 13752395 MHIAKTZPLDUFEM-UHFFFAOYSA-N 327.856 2.634 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccccc1)c1csc([C@@H]2CCCO2)n1 262607958 AQMGBJCFQVCMMV-OCCSQVGLSA-N 346.408 2.593 0 50 EFAA COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C1CCN(C)CC1 72425068 ZHUZQJWNKNQUST-MRXNPFEDSA-N 332.488 2.943 0 50 EFAA Cc1cnc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)s1 172724301 KAIBFPGFYNXGFG-PBHICJAKSA-N 343.452 2.677 0 50 EFAA C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H]1CCN(c2ccccc2)C1 241139475 JRFAHXJZQXSQGA-VYDXJSESSA-N 343.427 2.670 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)Cc1cccc(F)c1F 82121755 OERRCJGFZAIUOL-UHFFFAOYSA-N 344.321 2.611 0 50 EFAA Cc1ccc(F)cc1-c1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 426423804 WHIBPMOFRVCSMK-QGZVFWFLSA-N 326.371 2.810 0 50 EFAA CN1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)c2ccccc21 285787283 FFWRBWZTRQHZIN-UHFFFAOYSA-N 336.395 2.527 0 50 EFAA O=C(CCc1ccncc1)N1CCCN(c2ccc(F)cc2)CC1 82106967 OOALFSNRRICRKA-UHFFFAOYSA-N 327.403 2.892 0 50 EFAA COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCO[C@]2(CCCOC2)C1 286440493 OEZBDZRPHKUJOU-DNVCBOLYSA-N 348.443 2.656 0 50 EFAA COCCN(Cc1cccs1)C(=O)c1c(Cl)c(C)nn1C 426388061 VOIXSLGJDVZEJH-UHFFFAOYSA-N 327.837 2.732 0 50 EFAA CCN(CC)CCCNC(=O)N(C)Cc1cnc2ccccc2n1 426544647 DSZILGJZAZISHI-UHFFFAOYSA-N 329.448 2.503 0 50 EFAA COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccon3)[nH]n2)cc1 91644311 UZTOJOGLKAYMGM-NSHDSACASA-N 326.356 2.907 0 50 EFAA C[C@@H]1CN(C(=O)NCc2cccc(CN3CCCC3=O)c2)CC[C@H]1C 179298855 IXFWJRLXFKVPOZ-HZPDHXFCSA-N 343.471 2.997 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Cn2nccc2C)C1 95367412 XVKKEBVKNCPYNQ-INIZCTEOSA-N 329.448 2.594 0 50 EFAA C[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)[C@@H](O)c1ccc(O)cc1 92066886 FYNMJMXTOABHEG-NSPYISDASA-N 342.370 2.585 0 50 EFAA Cc1noc(CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 91860431 IDBWKLRXXVRCFJ-UHFFFAOYSA-N 332.448 2.525 0 50 EFAA COc1ccccc1-n1cc(CN2CCC[C@H](N(C)C)CC2)cn1 97099499 UGCKVODDWNYSQX-KRWDZBQOSA-N 328.460 2.797 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCN[C@H](c2ccccc2)C1 91997441 DTEMULBNYQOGGX-IBGZPJMESA-N 332.407 2.863 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@@H]1COc2cc(OC)ccc2C1 91625365 QEUOQFKXTWRRQV-ZDUSSCGKSA-N 346.452 2.890 0 50 EFAA Cc1cccc2nc(C(=O)N3CCN[C@H](c4ccccc4)C3)c(F)n12 97813862 YSLWFZNJMZAQKX-HNNXBMFYSA-N 338.386 2.569 0 50 EFAA COCCC[C@]1(CO)CCCN(C(=O)NCC2CCCCC2)C1 91807439 KWPHXLMHJYEJAN-GOSISDBHSA-N 326.481 2.777 0 50 EFAA COc1ccc2c(=O)n(Cc3nc(C(C)C)no3)ccc2c1OC 95378164 SKLQLPAIDXJTAY-UHFFFAOYSA-N 329.356 2.573 0 50 EFAA Cn1ccnc1CN1CCC(C(=O)Nc2ccc(Cl)cc2O)CC1 179197413 LDHMSFWHCJOSQB-UHFFFAOYSA-N 348.834 2.630 0 50 EFAA CCc1n[nH]c(C(=O)NCCCN2CCCc3ccccc32)c1C 97713520 SPKIQKCFIBEVDB-UHFFFAOYSA-N 326.444 2.853 0 50 EFAA Cc1nnc(SCCCNC(=O)[C@H]2COc3ccccc3C2)s1 91536868 PTWRYRWQXJWGNV-CYBMUJFWSA-N 349.481 2.696 0 50 EFAA Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cn1 244673597 HSDBBFWUIUQVJL-ZIFCJYIRSA-N 338.407 2.567 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCc1nc2c(s1)CCCC2 244719188 LYMRAUCMKLIXTG-CQSZACIVSA-N 341.436 2.513 0 50 EFAA C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cncc(Cl)c1Cl)CS2 180065265 QCPVGNSHPCVAFO-TVQRCGJNSA-N 346.239 2.781 0 50 EFAA O=C(NC1(c2cccc(F)c2)CCOCC1)c1cnc(C2CC2)nc1 294786504 APIHFFCNDWQJCY-UHFFFAOYSA-N 341.386 2.929 0 50 EFAA O=C1NCC[C@H]1SCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 181187727 BGWCKMZKVONTLV-GFCCVEGCSA-N 343.239 2.696 0 50 EFAA COc1ccc(Br)c(C(=O)N(C)CC(C)(C)CO)c1 296175718 LPQZTDKAAPWJAB-UHFFFAOYSA-N 330.222 2.548 0 50 EFAA Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CP3c2ccccc2)cc1 257354854 BWXYDSDVFPJTFY-DHVIMCKQSA-N 345.404 2.948 0 50 EFAA CCCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C 252506353 WABOVLGHVALFKD-UHFFFAOYSA-N 348.424 2.684 0 50 EFAA COCC(C)(C)CNC(=O)CCC(=O)Nc1ccc2c(c1)CCC2 534665456 SGRCQYLMERAGCT-UHFFFAOYSA-N 332.444 2.683 0 50 EFAA Cc1cccc(OC2CN(C(=O)N[C@@H](c3nccn3C)C3CC3)C2)c1 534649205 NGVDWNUTMHXSJS-QGZVFWFLSA-N 340.427 2.652 0 50 EFAA CN(C)C(=O)c1cccc(N2CCOc3ccc(Cl)cc3C2)n1 825569582 GUWUUMJXOBIYKW-UHFFFAOYSA-N 331.803 2.836 0 50 EFAA COc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c(F)c1 952862272 ODFUYYFXEDRZLC-UHFFFAOYSA-N 342.370 2.908 0 50 EFAA Cc1c(Br)ccc(NC(=O)N2C[C@H](O)C[C@H]2C)c1F 408392987 KSFUGCORSBGVAU-VXNVDRBHSA-N 331.185 2.884 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c1 1565513805 NFWUKYBXPFCBAB-HOTGVXAUSA-N 343.427 2.604 0 50 EFAA COc1ccccc1CC(=O)Nc1c(C)c(C(F)(F)F)nn1C 186096905 BUYXAIYZXJKMOE-UHFFFAOYSA-N 327.306 2.937 0 50 EFAA CC(C)c1ccc(OCC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 275449719 NUMRAOTZSMPLFB-UHFFFAOYSA-N 344.455 2.660 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 275550459 NHFXHXVZHQOASO-OALUTQOASA-N 340.471 2.504 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CCO1 276296970 NSTCFZMFVYVMRL-ONGXEEELSA-N 325.821 2.785 0 50 EFAA O=C1[C@H](Sc2nc3ncncc3[nH]2)CCN1c1c(F)cccc1F 186801136 DGASXQSEAGRILC-LLVKDONJSA-N 347.350 2.529 0 50 EFAA Cc1nccn1-c1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cn1 170604914 TVDWWHVUMQKIJF-UHFFFAOYSA-N 345.362 2.670 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N[C@H](c3ncon3)C(C)C)c2c1 170617808 BYBGFNMQZWOTQA-INIZCTEOSA-N 328.372 2.616 0 50 EFAA Cc1cc(C)cc(CCNC(=O)[C@H]2COCCN2C2CCCC2)c1 189097853 LNEUKKOBIKAZHF-LJQANCHMSA-N 330.472 2.606 0 50 EFAA COCCn1ccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)n1 189737349 IOCBBXFUQRQPHT-MRXNPFEDSA-N 328.416 2.626 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 191203699 AYJQQCMGQDMUJJ-JTQLQIEISA-N 330.306 2.817 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC(O)(c3ccccc3)CC2)cc1 191850004 KLQLABBFHGVVSP-UHFFFAOYSA-N 345.464 2.968 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)Nc1cccnc1-n1cncn1 192181997 OCNLRMCFPLGWJK-UHFFFAOYSA-N 334.383 2.861 0 50 EFAA C[C@H]1C[C@@H](O)CN(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)C1 646442617 RUYREWHGATWSQQ-GRDNDAEWSA-N 328.416 2.727 0 50 EFAA C[C@@H]1CN(C(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c2cccnc2O1 682796535 DKCHSJSVFFNDSZ-JOLIMNQDSA-N 342.317 2.551 0 50 EFAA O=C(COc1ccc(CO)cc1Br)Nc1ccccc1 470609 XVNPFNRJJILLKP-UHFFFAOYSA-N 336.185 2.959 0 50 EFAA CN1C[C@]2(CCCN(C3CCN(Cc4ccco4)CC3)CC2)OC1=O 1506419551 SEVLHXWCKQHUSG-LJQANCHMSA-N 347.459 2.551 0 50 EFAA COc1ccc2c(c1)cc(C(=O)Nc1nnc([C@H](C)OC)s1)n2C 1529111332 VNYQGJLKSNQCQD-VIFPVBQESA-N 346.412 2.998 0 50 EFAA Nc1nc(NCC[C@@H](c2ccccc2)c2ccco2)cc2nncn12 1529179070 UTNYNQXUQOJTOM-AWEZNQCLSA-N 334.383 2.934 0 50 EFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704325998 STNAZELTIQFLOY-CVEARBPZSA-N 343.876 2.964 0 50 EFAA O=C(c1ccc2scnc2c1)N1CCCN(C2CCOCC2)CC1 1775977405 GLYCDDUELKTEMD-UHFFFAOYSA-N 345.468 2.623 0 50 EFAA CC[C@H](NC(=O)c1cn(Cc2ccccc2F)nn1)c1ccncc1 12304182 KRWNNECFQOVCIU-INIZCTEOSA-N 339.374 2.742 0 50 EFAA COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 12383566 JGOIZQLYQSLLNS-LBPRGKRZSA-N 339.388 2.580 0 50 EFAA CNC(=O)Cc1c2c(n(Cc3ccc(F)cc3)c1C)CCCC2=O 12715439 SAYHHBVKXNHYAR-UHFFFAOYSA-N 328.387 2.791 0 50 EFAA COc1ccc(-c2noc(CN(C)CCc3c(C)n[nH]c3C)n2)cc1 19335063 JFTHWCAVQZPZDO-UHFFFAOYSA-N 341.415 2.760 0 50 EFAA CCOCCn1nc(C[C@H](C)CC)nc1-c1cccc2nn[nH]c12 1857680530 PBXMMGLUKGFHNM-GFCCVEGCSA-N 328.420 2.842 0 50 EFAA COc1cc2nc(N3C[C@H]4C[C@H](O)C[C@H]4C3)cc(C)c2cc1OC 1857702352 JYYZMVUULAJMKH-WDNDVIMCSA-N 328.412 2.768 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)NCC1(c2ccccc2)CCCCC1 238092152 JYCLKYNSRLIKQG-QGZVFWFLSA-N 344.455 2.554 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2CCC[C@H]2C1 248711252 COWPMABXBYXKIK-FHWLQOOXSA-N 327.472 2.950 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 671549244 DLXBRGLABCEZAG-SECBINFHSA-N 330.762 2.736 0 50 EFAA CCNC(=O)C1(NC(=O)COc2ccc(C(C)C)cc2)CCCC1 252490917 LEVIUMBOJMQJIT-UHFFFAOYSA-N 332.444 2.754 0 50 EFAA CN(C)CC1CCC(NC(=O)N[C@H]2CCCC23CCOCC3)CC1 252479508 BGPLEPZADFSEDY-JCYILVPMSA-N 337.508 2.755 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CN(Cc2ccsc2)CC[C@@H]1O 1704353859 ULMMKEMAEMUZJC-WMZOPIPTSA-N 331.437 2.628 0 50 EFAA C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1cc2ccccc2s1 907228673 GBYAUCXGONSULA-SECBINFHSA-N 335.397 2.538 0 50 EFAA Cn1nc(C(F)F)c2cc(C(=O)NCC3(C(=O)O)CCC3)sc21 909273717 WJOAZYAQAFCESP-UHFFFAOYSA-N 343.355 2.557 0 50 EFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)Nc1cnn(C2CCC2)c1 931137008 VVPHAQVVRYMVIX-AWEZNQCLSA-N 330.392 2.837 0 50 EFAA CC1(C)C[C@H](NCCn2ccnc2)CCN(C(=O)OC(C)(C)C)C1 863983161 DCEYVNMAYDGQHO-OAHLLOKOSA-N 336.480 2.898 0 50 EFAA COc1cc2c(cc1OC)[C@H](C1CC1)N(Cc1ccnn1C)CC2 952882889 LAPZVLVTWLCTIA-IBGZPJMESA-N 327.428 2.947 0 50 EFAA CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1ncncc1Cl 952993794 KAQVKTNWSMDXQO-MRVPVSSYSA-N 346.744 2.798 0 50 EFAA Cc1ccc2[nH]c(CN(C)Cc3nnc4n3CCOCC4)cc2c1C 1875274837 LLNWKNFQRXBFLZ-UHFFFAOYSA-N 339.443 2.581 0 50 EFAA Cc1c(NC(=O)C[C@H]2CCCC(=O)N2)cnn1-c1cccc(Cl)c1 1875259185 HUCKXQRASDGWES-CYBMUJFWSA-N 346.818 2.831 0 50 EFAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2)CC1 99797 PEIQALYIIRRQAZ-UHFFFAOYSA-N 334.375 2.755 0 50 EFAA in-vivo COC(=O)C1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 8698524 HMCPWOPEHYNVHB-UHFFFAOYSA-N 340.464 2.519 0 50 EFAA N[C@@H](c1cn(Cc2c(Cl)cncc2Cl)nn1)[C@@H]1CCCCO1 2325761169 FFJHNWSNUBXMNJ-KBPBESRZSA-N 342.230 2.597 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2csc3nccn23)N(C)C)cc1 2325766288 TVHBCFCTUHJRRI-CQSZACIVSA-N 328.441 2.737 0 50 EFAA C[C@@H]1CN([C@@H]2CCN(c3ccn(C)n3)C2=O)Cc2c(Cl)cccc21 2325771985 JOGJRQDKARKCFE-MLGOLLRUSA-N 344.846 2.798 0 50 EFAA C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1nc([C@@H](C)O)n[nH]1 2325804129 WSVIWYMKEBZROG-NWDGAFQWSA-N 326.400 2.916 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(F)cn2)cn1 930781824 YIIXFYQEDKIVNZ-UONOGXRCSA-N 333.367 2.559 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 280317 AWLBMJCZDSEMQZ-AWEZNQCLSA-N 343.427 2.765 0 50 EFAA Cc1cccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c1 361585 WRDWTDOWGUAPRQ-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1 6403375 MYMGKIQXYXSRIJ-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro CC[C@]1(C)COCCN1C(=O)c1cc(N(C)C)c2ccccc2n1 410661864 QYKOZTZVFQPYOA-LJQANCHMSA-N 327.428 2.942 0 50 EFAA CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)[C@H](C)CN(C)C 225600053 NYDDCWKGOXZOAD-OAHLLOKOSA-N 336.524 2.887 0 50 EFAA C[C@H](Cn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55089379 SAQLNSSHAJQJAS-CYBMUJFWSA-N 339.351 2.797 0 50 EFAA CC[S@](=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1 55343897 DBDWXMLFPRIIDR-XMMPIXPASA-N 348.424 2.938 0 50 EFAA COCCN(Cc1ccsc1)C(=O)c1cccc(NCC(=O)O)c1 55359990 BFYGAPSSHHVQMI-UHFFFAOYSA-N 348.424 2.533 0 50 EFAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cccc(Cl)c1 20855949 VRTJOQXGIRJHGV-QGZVFWFLSA-N 345.830 2.538 0 50 EFAA CN1CCN(c2ncnc3ccc(-c4ccccc4CO)cc23)CC1 65494478 GBWDRXNGPUQDKU-UHFFFAOYSA-N 334.423 2.541 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)NCc1nc(-c2cccnc2)no1 65454264 CWCBQONLYIUYML-AWEZNQCLSA-N 334.379 2.868 0 50 EFAA COC(=O)c1ccc(I)cc1Br 114054631 AGPATUQJKLIKMY-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA CC[C@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 67691776 MGHFLIXGCFXSJI-KRWDZBQOSA-N 327.428 2.862 0 50 EFAA CCCn1cnnc1CNC(=O)c1csc(-c2cccs2)n1 65405084 QSRGAIRPDHXYHW-UHFFFAOYSA-N 333.442 2.803 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 20909643 QQGMBWDUHNHIGY-CQSZACIVSA-N 336.395 2.637 0 50 EFAA Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 28565323 XVECMUKVOMUNLE-UHFFFAOYSA-N 327.351 2.917 0 50 EFAA in-vivo O=C(N1CCCC1)N1CCC[C@@H](c2nc(-c3cscn3)no2)C1 350538239 AVLBOMYROGHMIS-LLVKDONJSA-N 333.417 2.588 0 50 EFAA Cc1ocnc1-c1noc(C[C@@H]2Sc3ccccc3NC2=O)n1 351020130 XBFPXCFAEPUWRN-NSHDSACASA-N 328.353 2.689 0 50 EFAA O=C(c1ccnn1C1CCCC1)N1CCNC[C@H]1c1cccc(F)c1 423614752 QNNQYROLFDEFCU-SFHVURJKSA-N 342.418 2.924 0 50 EFAA CC(C)(COCc1ccccc1)C(=O)N1CCC[C@]2(CCNC2)C1 423638810 IWXIUFBUCMJZRD-HXUWFJFHSA-N 330.472 2.832 0 50 EFAA O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCOc2ccccc2C1 12034253 NCGIJQVKYMPNMJ-IBGZPJMESA-N 336.391 2.795 0 50 EFAA CCN(CCCN1CCCC1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 252509372 YMGXUYNFHNQPDL-UHFFFAOYSA-N 346.475 2.728 0 50 EFAA CCN(Cc1noc(C)n1)C(=O)c1cccc(CCC(C)(C)O)c1 72422318 HJPTUJHLAUQGNH-UHFFFAOYSA-N 331.416 2.744 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)/C=C/c2cccnc2)c(Cl)c1 121784961 RUBUOSNEFOQMMS-FNORWQNLSA-N 329.787 2.812 0 50 EFAA Cc1cnn(CCCNc2nc(C(C)(C)C)nc3c2cnn3C)c1 72149082 QPNOEUHJBMWIEE-UHFFFAOYSA-N 327.436 2.668 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](N(C)C)CC1 72156826 DBWNYOLSONDZPQ-INIZCTEOSA-N 328.460 2.678 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)N=c1cc[nH]cc1F 328619106 FLSWXCHTMRJUSZ-LLVKDONJSA-N 334.420 2.991 0 50 EFAA O=C(Nc1ccccc1OCCn1ccnc1)[C@@H]1Cc2ccccc2O1 253416971 APFWWOXPVIRKHY-IBGZPJMESA-N 349.390 2.904 0 50 EFAA C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@H](C)N1 153857943 JRTMVKQLMCGNOG-KBPBESRZSA-N 336.863 2.597 0 50 EFAA C[C@H]1C[C@H](CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H](C)O1 281296126 SYTKENPVYBMOFO-AHXJXLJNSA-N 334.435 2.939 0 50 EFAA CN(C(=O)NCc1ncnn1C(C)(C)C)[C@@H]1CCc2ccccc21 283296609 XBKXZXBZFWSTBP-OAHLLOKOSA-N 327.432 2.862 0 50 EFAA Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1nnc(N)s1 219412176 PSERWOJWSVXANN-INIZCTEOSA-N 338.436 2.877 0 50 EFAA COc1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O 237306714 OTLOMXQTGLACSS-UHFFFAOYSA-N 343.354 2.881 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)c1sc(C)nc1-c1ccccc1 71764052 HQSIBMIAHBNQEA-NSHDSACASA-N 331.441 2.715 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(C)C1)CC(C)(C)O2 71385320 OWYFHFOLBDKMHL-BBRMVZONSA-N 332.444 2.755 0 50 EFAA CC1(C)CN(C(=O)c2ccc(C(=O)O)nc2)CC[C@H]1C(F)(F)F 450540810 BFSFWUKVPXXFGG-LLVKDONJSA-N 330.306 2.830 0 50 EFAA C[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2N)[C@H]1C(=O)O 263024916 FXHLXVNEAJKUQX-YVEFUNNKSA-N 339.395 2.656 0 50 EFAA CSc1ccccc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 222410760 RANNGGJRFOWYOW-UHFFFAOYSA-N 347.484 2.819 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCCC[C@H]3C(=O)O)c(C)o2)cc1 159846374 OIHAIYYKOLQDSJ-AWEZNQCLSA-N 344.367 2.738 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1cnn(C)c1 175448667 CZGZJRSWJKEQMM-NEPJUHHUSA-N 341.864 2.886 0 50 EFAA CCn1ncc(NC(=O)Cn2cc(C)c(-c3ccc(Cl)cc3)n2)n1 48488795 MYRDATBEIJNRNI-UHFFFAOYSA-N 344.806 2.762 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(OCC(F)(F)F)c(F)c1 288706000 DYQMEFRKNXTUSR-SECBINFHSA-N 348.296 2.764 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 178269166 CXMFCQQQXJZPJH-LBPRGKRZSA-N 330.771 2.949 0 50 EFAA NC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 237838142 ZXRYKRBMMSRDMN-OLZOCXBDSA-N 328.334 2.638 0 50 EFAA COc1ccc(CCNC(=O)c2cnc(-c3ccncc3)nc2)cc1 97370594 QAFJMGWOZKTESX-UHFFFAOYSA-N 334.379 2.520 0 50 EFAA C1CCc2c(nc(N3CCCC3)nc2-c2nc([C@@H]3CCOC3)no2)C1 96141656 WMSBKIKRQBMZCY-GFCCVEGCSA-N 341.415 2.510 0 50 EFAA Cc1ccccc1CN1CC[C@H](CNC(=O)Cc2cscn2)C1 96141214 AGPYFDIYFHXPHH-OAHLLOKOSA-N 329.469 2.632 0 50 EFAA O=C(CCC1CCN(Cc2ncc[nH]2)CC1)NCc1ccc(F)cc1 95530986 GKCVDQMBQFYLQZ-UHFFFAOYSA-N 344.434 2.857 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1nonc1C)n2C 91678607 OSGWJLUDFUKFOY-OAHLLOKOSA-N 340.383 2.856 0 50 EFAA CN(C)[C@H](CN1CC2(CCNCC2)CCC1=O)c1ccccc1Cl 91871293 XCZOGAAKUZKAJH-QGZVFWFLSA-N 349.906 2.935 0 50 EFAA O=C(c1cc(F)c[nH]1)N1CCCN(CCCc2ccccc2)CC1 293074283 OHQJFTOWFYRLFR-UHFFFAOYSA-N 329.419 2.935 0 50 EFAA COc1ccc(N2CCN(Cc3[nH]nc(C)c3Cl)[C@H](C)C2=O)cc1 97636462 LQYOJHKCKZXTDQ-GFCCVEGCSA-N 348.834 2.617 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1nccn(C)c1=O 183871007 YDKWTVICCZJXBV-GFCCVEGCSA-N 330.388 2.517 0 50 EFAA CCN(C(=O)CCN1CCN2CCCC[C@H]2C1)c1ccccc1C 244883991 YDETUFQQLWOEPH-SFHVURJKSA-N 329.488 2.908 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)c3coc4c3C(=O)CCC4)C2)c1 294769433 YZEPBZCSHXSDAR-CYBMUJFWSA-N 327.384 2.781 0 50 EFAA O=C(c1ccc(C(F)(F)F)nc1)N1CCCC[C@H]1c1nc[nH]n1 181190436 KQMVJOTXJHALHG-JTQLQIEISA-N 325.294 2.586 0 50 EFAA O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](Oc2ncccc2F)C1 295197175 KGAVNMOCTHAJLP-CQSZACIVSA-N 342.374 2.572 0 50 EFAA O=C(NC[C@H]1CC=CCC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 181524676 MMHMQCFGAGPTGJ-DZGCQCFKSA-N 329.448 2.927 0 50 EFAA O=C(Cn1cnc2c(c1=O)CCC2)Nc1cccc(Cl)c1Cl 184099180 IWCDLNQSSOBARS-UHFFFAOYSA-N 338.194 2.678 0 50 EFAA CCOc1ccc2nc(O)c(CN3CCN4CCC[C@H]4C3)cc2c1 253531378 AEZGZSSEZJSNKE-INIZCTEOSA-N 327.428 2.619 0 50 EFAA O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc2ccccc2o1 183059170 HHLDMZRXMCZARA-OAHLLOKOSA-N 335.363 2.753 0 50 EFAA COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@@H]3C4(C[C@@]2(C)[C@]31C)OCCO4 253600080 FWIFBGVWIAMUTB-RCUQFMMVSA-N 343.423 2.861 0 50 EFAA CCN(Cc1nc(C)no1)C(=O)NC[C@@H](c1cccc(C)c1)N(C)C 534637027 GZFPXJFDEPFUPU-INIZCTEOSA-N 345.447 2.521 0 50 EFAA C[C@H](NC(=O)CCc1cc(Br)cs1)[C@H](C)C(=O)O 263452654 OLAINFDPTVLQTR-YUMQZZPRSA-N 334.235 2.669 0 50 EFAA CCOCCNC(=O)c1cccc(-c2ccc(OC)c(CO)c2)c1 299758690 OFXBHQLBVHBFGT-UHFFFAOYSA-N 329.396 2.621 0 50 EFAA Cc1nc(CCNC(=O)Nc2c(F)cccc2F)nc2c1CCC2 299798461 RTYPEPPXZBSWLD-UHFFFAOYSA-N 332.354 2.916 0 50 EFAA COCC1(CN[C@H]2CCC(=O)N(Cc3ccccc3)CC2)CCC1 824346800 FGGGFNMCCCQBCA-SFHVURJKSA-N 330.472 2.974 0 50 EFAA COc1cccc(-c2ncc(CN[C@@H](C)c3nncn3C)s2)c1 952971251 IFPQBKJXXPRWNJ-NSHDSACASA-N 329.429 2.798 0 50 EFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)CN1CCCCCC1 952979891 DKXHUOUPSZGFMV-UHFFFAOYSA-N 340.427 2.972 0 50 EFAA O=C(N[C@@H]1COc2ccccc2C1)c1ccc(CN2CCCC2)o1 952970158 LJJHQERLICCEII-HNNXBMFYSA-N 326.396 2.609 0 50 EFAA CCN(CCN1CCOCC1)C(=O)[C@]1(c2cccs2)CC1(C)C 952987477 LDDWFRZYNJNHAV-GOSISDBHSA-N 336.501 2.597 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)Cc1ccc(F)cc1 77505749 KBIADSXSXJZFHI-IBGZPJMESA-N 326.415 2.883 0 50 EFAA Cc1ocnc1CNC(=O)NCC1CCN(Cc2ccccc2)CC1 271370240 JOEBKHRSQQOTJH-UHFFFAOYSA-N 342.443 2.694 0 50 EFAA CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C)C2(CCC2)C1 271582875 REIJTBJSNCKNTL-OAHLLOKOSA-N 344.455 2.854 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)o1 275299753 GXDYJUOUILQUEE-HEHGZKQESA-N 332.404 2.602 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)[nH]1 275674793 VWWODKGBFSACRA-KRWDZBQOSA-N 341.459 2.656 0 50 EFAA CCCCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)C(=O)O 170592108 KOHRJZHMQSKNIR-AWEZNQCLSA-N 345.399 2.849 0 50 EFAA Cc1cc(C)c2c(c1)[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)CCO2 170621700 MFIYNYCPVOBFJT-WBVHZDCISA-N 331.460 2.863 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2cc(OC)nc3ccccc23)CCO1 188152416 LKUGKESNBFFXBA-IBGZPJMESA-N 343.427 2.954 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1ccccc1)c1nccs1 191113443 XHJATWCDHDYETO-INIZCTEOSA-N 326.425 2.931 0 50 EFAA COc1cc(OC)cc(N(C)Cc2cc(-c3cnn(C)c3)no2)c1 191275603 ATNWHDFOGSTLPY-UHFFFAOYSA-N 328.372 2.729 0 50 EFAA COc1ccc(COCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 684991908 NUZXHAKUOOOEFG-IPMKNSEASA-N 347.455 2.754 0 50 EFAA COc1ccc(CC(C)(C)NC(=O)c2ccc(C(=O)O)cn2)cc1 649369965 WCOMYSKHSGOIRQ-UHFFFAOYSA-N 328.368 2.540 0 50 EFAA CC[C@@H](CO)N1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 194567083 ZDFFEAIXFDAYAU-INIZCTEOSA-N 331.287 2.924 0 50 EFAA CC(C)CNC(=O)C1CCN(C(=O)Nc2cccc3c2CCO3)CC1 797670521 INMHCXIPIMEBBC-UHFFFAOYSA-N 345.443 2.638 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cccc4c3OCCO4)C[C@H]2C1 1529110292 LMEBKONCZGJPDS-GEEKYZPCSA-N 344.455 2.649 0 50 EFAA C[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1F)N1CCOCC1 1529167431 JEBBYHVAQKQAID-GFCCVEGCSA-N 334.357 2.997 0 50 EFAA CCn1ccc(CN2CCC3(CC2)OCCc2cc(OC)ccc23)n1 1704299738 SCMQPUHVIGPZKC-UHFFFAOYSA-N 341.455 2.976 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 1772704421 GAYCVYQTSLJKIT-ONGXEEELSA-N 325.771 2.706 0 50 EFAA Cc1cc2c(cc1Cl)OCc1nnc([C@H](C)N3CCOCC3)n1-2 1772712853 SEEQWPXAIIZJML-NSHDSACASA-N 334.807 2.515 0 50 EFAA CC(=O)c1cnc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc1C 1772706387 RUHKQCDDUGQCGC-SNVBAGLBSA-N 333.413 2.564 0 50 EFAA CN(CCOc1ccccc1)C(=O)C1(N(C)C)Cc2ccccc2C1 11878945 ZYUOPQSFZMWHDT-UHFFFAOYSA-N 338.451 2.623 0 50 EFAA CO[C@@H]1CCCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 12093792 FZIUQULYGWOWIF-LJQANCHMSA-N 342.483 2.647 0 50 EFAA COc1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1 12407742 UUNGPLNWGNZFAL-UHFFFAOYSA-N 329.747 2.577 0 50 EFAA O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cc(C2CC2)on1 12836248 QDVFAUQXUGXUCE-QGZVFWFLSA-N 339.439 2.989 0 50 EFAA CCN(CC)CCSc1nc(O)c(C2CCCCC2)c(=O)[nH]1 13381866 RYIUDKPWUYLYNX-UHFFFAOYSA-N 325.478 2.957 0 50 EFAA CCC(=O)NCc1nnc(SCc2ccncc2)n1CC(C)C 14992589 KKCNEQIKZWPILT-UHFFFAOYSA-N 333.461 2.648 0 50 EFAA CCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 19537602 YKVWVMYXYVXVLF-HXUWFJFHSA-N 340.467 2.811 0 50 EFAA O=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3cccs3)cc21 169754501 KZSXYJQJTYJCFQ-INIZCTEOSA-N 342.399 2.783 0 50 EFAA Cc1noc(C)c1Cc1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1 169762099 YVHWEIMAPXREEM-ZDUSSCGKSA-N 344.415 2.914 0 50 EFAA Cn1cc(CCC(=O)N2CCCN(c3ccccc3Cl)CC2)cn1 328591986 KVADSFFCFCZFCW-UHFFFAOYSA-N 346.862 2.745 0 50 EFAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cnn1C(C)(C)C 237755316 QDSCWHAHHQHBLO-QEJZJMRPSA-N 333.432 2.804 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3COc4ccccc4C[C@]3(CO)C2)c(C)o1 247814504 BQCNTBFRAYIFOE-OXQOHEQNSA-N 341.407 2.582 0 50 EFAA CC(C)c1ccc(CCNC(=O)Cn2nc(C3CC3)ccc2=O)cc1 352207795 DFHVKZCAVDWNPD-UHFFFAOYSA-N 339.439 2.603 0 50 EFAA NC(=O)Cc1cccc(OCc2ccn(-c3ccc(F)cc3F)n2)c1 252487677 HZMHSGJERYAIRH-UHFFFAOYSA-N 343.333 2.757 0 50 EFAA COCC(=O)Nc1ccc(-c2noc(-c3scnc3C)n2)cc1 253418911 DOPATXDSZSTGFE-UHFFFAOYSA-N 330.369 2.753 0 50 EFAA O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@@H]1CO 155921679 YODURBJCKNQUTJ-PELKAZGASA-N 338.276 2.735 0 50 EFAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C1(NC(N)=O)CC1 390834747 WIIMZIBLXHDUCX-MRVPVSSYSA-N 342.226 2.640 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccnc2)cc1Br 5729328 LVFCMJYXNNMTOC-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc2nc(O)oc2c1 1259387604 OOVAJDLTYGXGMH-CQSZACIVSA-N 344.392 2.808 0 50 EFAA Oc1cc([C@@H]2CCN(C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)nc(O)n1 930842503 DIQIFIGXPVRSAV-WWGRRREGSA-N 347.365 2.726 0 50 EFAA C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)O)C1)n1cnc2ccccc21 852955824 CENLTEXTZCWBEC-CZUORRHYSA-N 349.390 2.808 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNCc3cc4ccccc4o3)C2)n1 952890156 NWNJOYLQBXGBPQ-SQWLQELKSA-N 327.384 2.769 0 50 EFAA CCC[C@H](C)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 952994075 UOBSLTWLAPNZKI-MJBXVCDLSA-N 348.509 2.788 0 50 EFAA C[C@](O)(CNCc1cccnc1O)c1ccccc1Br 1875284992 YJHVAWSRIWOQID-HNNXBMFYSA-N 337.217 2.547 0 50 EFAA O=C(NCCc1ccccc1Cl)c1ccc(C2(O)COC2)cc1 1875283413 RNFHSHRKXFGZCH-UHFFFAOYSA-N 331.799 2.530 0 50 EFAA FC(F)(F)[C@H](CCN1CCC[C@H]1c1ccc[nH]1)N1CCOCC1 1875275677 UCLDCGJYZRIVTL-GJZGRUSLSA-N 331.382 2.805 0 50 EFAA C/C=C/c1cn([C@H]2CON(C(=O)c3csc4ccncc34)C2)nn1 1875338702 IHBNZFNBCGEWKK-QAVQXKDTSA-N 341.396 2.550 0 50 EFAA COC(=O)[C@H]1CC(C)(C)CN1C(=O)c1cc(C)c2ncccc2c1 1875324987 FPTIJPJQUHQXTJ-OAHLLOKOSA-N 326.396 2.957 0 50 EFAA O=C(NCCc1ccc(F)cc1F)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875345783 JAGPDGCPZPWUQX-KRWDZBQOSA-N 348.324 2.956 0 50 EFAA CCO[C@@]1(c2nnc(-c3ccc(-n4nccc4C)cc3)o2)CCOC1 886082271 REDGJWNONDRYDV-SFHVURJKSA-N 340.383 2.883 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)CCOc2ccc(C)c(C)c2)n[nH]1 1775991160 HXTMQXGVFHAHLZ-MRXNPFEDSA-N 328.416 2.863 0 50 EFAA COc1ccc(CNC(=O)CSCC(=O)Nc2ccccc2)cc1 2843378 PKXQOVGGRPMSOG-UHFFFAOYSA-N 344.436 2.683 0 50 EFAA NCc1cccc2c1CCCN2CC(=O)NCC1(c2ccccc2)CC1 2325774258 XOEYMUSMDGBMJF-UHFFFAOYSA-N 349.478 2.746 0 50 EFAA O=C(CCCOc1ccc2c(c1)OCO2)O[C@H]1C[C@H](n2ccnc2)C1 2325798875 GWDAVORZKADXHJ-CTYIDZIISA-N 344.367 2.718 0 50 EFAA CCOc1ncccc1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1 2325818950 INGSCVSNVWOJOU-INIZCTEOSA-N 346.452 2.876 0 50 EFAA O=C(O)c1cccc([C@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2)c1 2325848529 ISFZOUUDYIUZSQ-SHTZXODSSA-N 331.393 2.609 0 50 EFAA CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)COc1ccccc1 302632 YXAAVLJLQWBOEJ-OAHLLOKOSA-N 344.333 2.951 0 50 EFAA O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@@]12CCCNC2=O 2356166087 NYSKCOJWMIKHFI-OAQYLSRUSA-N 349.434 2.997 0 50 EFAA COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C)c1 4840670 SKTKPISBMFYRFQ-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA CN1CCN(Cc2nc(-c3ccc(F)cc3)no2)c2cccnc21 342538596 MPHVLZSJOKIJAR-UHFFFAOYSA-N 325.347 2.727 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 101454492 JKOUQLIZMZQCSU-VDUILEQBSA-N 349.408 2.559 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1OC 20998332 BWALEYSZEFGDNV-AWEZNQCLSA-N 329.400 2.522 0 50 EFAA CC(C)[C@@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67562329 MRCVBZBBHAWAHC-GOSISDBHSA-N 345.418 2.939 0 50 EFAA CSC[C@@H](CCO)NC(=O)c1cc(C)cc(Br)c1 134959255 JWCWOSLQGVYTAG-GFCCVEGCSA-N 332.263 2.601 0 50 EFAA CCC(=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 348916000 ZPSVGCCRRPYRCO-UHFFFAOYSA-N 346.408 2.903 0 50 EFAA CC(C)N(CCSc1ccccc1)C(=O)[C@H]1CCCN1C(N)=O 63856890 HSVUPBCPWUKVBZ-OAHLLOKOSA-N 335.473 2.559 0 50 EFAA COCC1(S(=O)(=O)N2CCC[C@@H]2c2cccc(OC)c2)CCC1 1363755999 IALJVGCKMKVYPH-MRXNPFEDSA-N 339.457 2.731 0 50 EFAA COc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 2028654 RYXKVYZOHVAALF-UHFFFAOYSA-N 336.365 2.592 0 50 EFAA Cc1cc(C(=O)NCCCN2CCCC2=O)c(-c2ccccc2)o1 215083003 UGPZIVKBCDKAKD-UHFFFAOYSA-N 326.396 2.997 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(C)no3)C2)cc1 77470440 IYTIXEOXRXLSMT-CQSZACIVSA-N 330.384 2.923 0 50 EFAA O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1nccc2ccccc12 355758957 NQCLYARDKNCKOF-UHFFFAOYSA-N 331.335 2.978 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 253396247 MPFXXTMQJUVFDV-KURKYZTESA-N 331.456 2.986 0 50 EFAA O=C1NC[C@@]2(CCCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)O1 72150740 YCFJPTGBEIMZEY-GOSISDBHSA-N 342.351 2.787 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3c(C)noc3C)CC2)OC1=O 77428789 UYNNLDQMPXXEHN-GFCCVEGCSA-N 349.431 2.907 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc2ccccc2o1 374521956 NMRRRXWGDPDDLR-OAHLLOKOSA-N 339.395 2.997 0 50 EFAA C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 367919126 VHUKOPNKCUYLLJ-XBOKISCZSA-N 341.455 2.885 0 50 EFAA Cn1nccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 156180229 MQTJBQRGWDSKHA-UHFFFAOYSA-N 348.406 2.588 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 238072873 XMCFCRMGDKMOSW-XQQFMLRXSA-N 327.302 2.885 0 50 EFAA COc1coc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O 72173784 CPAYXKBEHGHLGJ-UHFFFAOYSA-N 341.407 2.771 0 50 EFAA Cc1cc(N2CCC[C@@H](OCc3ccccn3)C2)n2nc(C)cc2n1 72407419 FCZWHJFFHFUDTM-QGZVFWFLSA-N 337.427 2.927 0 50 EFAA Cc1nn(CC(=O)N[C@H](c2cccnc2)C(F)(F)F)c(C)c1C 216453912 WDYXYNYUVMPPMV-CQSZACIVSA-N 326.322 2.623 0 50 EFAA CC(C)[C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccnc1 332552598 QEQVEJLWPDCHQP-LJQANCHMSA-N 339.439 2.876 0 50 EFAA CS(=O)(=O)Cc1ccccc1CNc1noc(-c2ccccc2)n1 157869806 OQVZCMPZKDBWGI-UHFFFAOYSA-N 343.408 2.893 0 50 EFAA N[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 72120757 UOUFMKGRHWBFRC-SNVBAGLBSA-N 326.322 2.535 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 374130359 PMFRFPDOMKWRND-CYBMUJFWSA-N 331.372 2.588 0 50 EFAA CCC(=O)N1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)C1 333242922 FDQGPPAXRLKZSJ-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2cc(C(=O)O)ccn2)c2ccc(F)cc2O1 262964582 AEWLHDXMDUCAHO-CQSZACIVSA-N 344.342 2.951 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C1 237259590 KMVLEVCNGDCIKE-INIZCTEOSA-N 326.444 2.561 0 50 EFAA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1ccc(Cl)o1 242273713 YFIYCYVIUCQVQO-TZMCWYRMSA-N 348.896 2.861 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N2CCCC[C@H](N(C)C)C2)cc1 82126046 WAPXEZRIBFPRDL-INIZCTEOSA-N 332.444 2.601 0 50 EFAA Clc1cccc(-c2ccnc(NCc3cc4n(n3)CCNC4)n2)c1 82166399 WUBDMLWWJUNMJA-UHFFFAOYSA-N 340.818 2.709 0 50 EFAA Cn1nccc1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 426739092 QWHGUIDCFJOPIH-OAHLLOKOSA-N 345.418 2.809 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(Cc3cc(C)no3)CC2)cc1 85479419 BHOMLDWDTIGAQD-UHFFFAOYSA-N 330.384 2.790 0 50 EFAA Cc1cnn(C)c1CN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 289786954 RPSFXMHCGBYXPQ-RDTXWAMCSA-N 329.448 2.789 0 50 EFAA CC(C)NC(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91594553 AIRSPLRUQPTPFD-HNNXBMFYSA-N 327.432 2.624 0 50 EFAA CNC(=O)c1cccc(CN2CCC(=O)Nc3cc(F)ccc32)c1 178729634 SQQSLQOHZSXGQB-UHFFFAOYSA-N 327.359 2.534 0 50 EFAA Cc1ccc(SCCCNC(=O)c2cc3ncccn3n2)cc1 97099557 JPDZHJADTALEFQ-UHFFFAOYSA-N 326.425 2.950 0 50 EFAA CCn1cc(NC(=O)NCCN2CC[C@H](c3ccccc3C)C2)cn1 97436944 CCBRFNSRMMDPGZ-INIZCTEOSA-N 341.459 2.822 0 50 EFAA CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O 238882250 CWROMPSYTREGNL-RBSFLKMASA-N 328.393 2.615 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCC4(CC3)CNC(=O)O4)oc2c1 91304359 QMWUWUNCICSVMF-UHFFFAOYSA-N 328.368 2.764 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 95508019 MDSRZGZYONWIKG-UHFFFAOYSA-N 346.431 2.661 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@H](C)n2ccnc2C(C)C)nc1 95496551 BBGDBVXRGBHPPK-HNNXBMFYSA-N 329.448 2.889 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CC[C@H](CO)C1 179685398 TTZYQTZTYVQRMY-AWEZNQCLSA-N 347.846 2.526 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H](C)N1CCCCCC1 243932505 BWENVWDJQHSPIH-ZDUSSCGKSA-N 346.397 2.591 0 50 EFAA O=S(=O)(Nc1ncccc1F)c1cccc(OC(F)(F)F)c1 180260718 KZEIQTNXPIKBKX-UHFFFAOYSA-N 336.266 2.920 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)NCc1nncn1C1CCCCC1 244691544 JEROBEDACBPCTA-OAHLLOKOSA-N 333.480 2.664 0 50 EFAA C[S@](=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 180691831 YOUZSUJFVONNBI-CMJOXMDJSA-N 332.429 2.906 0 50 EFAA C[C@H](C(=O)N[C@H]1CC12CCCCC2)N1C(=O)c2ccccc2C1=O 180685546 AWJBSNYFKTVTSC-DOMZBBRYSA-N 326.396 2.510 0 50 EFAA Cc1ccc2snc(C(=O)N3CCC(F)(F)[C@H](CO)C3)c2c1 294843355 XDMGIFDJYCAWBU-JTQLQIEISA-N 326.368 2.694 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3c(C)ncn3C)C2)cc1 299796315 PXVRITCEHAAKAN-HNNXBMFYSA-N 343.427 2.668 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccnc1N(C)C 299788548 UVQNTZSAPRAJDW-QGZVFWFLSA-N 325.412 2.964 0 50 EFAA CCc1nc(C)sc1CNC(=O)Cn1nc(C)c(Cl)c1C 299759004 MMESLPCUZNDEFU-UHFFFAOYSA-N 326.853 2.797 0 50 EFAA CC1(CNC(=O)c2cccc(-c3cc(C(F)(F)F)n[nH]3)c2)COC1 299802229 YGBZWSXMGPZAHO-UHFFFAOYSA-N 339.317 2.862 0 50 EFAA COCC1(C(=O)NCC2(c3ccccc3)CCN(C)CC2)CCC1 299785345 YBCIQDYCVJOEMR-UHFFFAOYSA-N 330.472 2.583 0 50 EFAA COC(=O)c1cc(CN)cc(NC(=O)/C=C/c2cccc(F)c2)c1 299755113 CBEVBRKYGVBSON-AATRIKPKSA-N 328.343 2.723 0 50 EFAA CSCCC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 824892222 YZCXKQVPUIYVFR-UHFFFAOYSA-N 335.473 2.803 0 50 EFAA CNC(=O)CCC(C)(C)NC(=O)N1CCC(c2cccc(O)c2)CC1 584901455 FRKFUCVSEDKRDX-UHFFFAOYSA-N 347.459 2.586 0 50 EFAA Cc1cccc(CNC(=O)c2ccc3c(c2)nc(O)n3CC2CC2)n1 1334882479 GHOWOEFOLIPXSD-UHFFFAOYSA-N 336.395 2.785 0 50 EFAA COc1ccccc1CCCNC(=O)c1nnc(O)c2ccccc12 952870130 SJUASUXCDVMJPF-UHFFFAOYSA-N 337.379 2.707 0 50 EFAA O=C(c1ccncc1)N1CCC(N2CCOc3ccccc3C2)CC1 952974962 KASUSCJYEWCBLR-UHFFFAOYSA-N 337.423 2.581 0 50 EFAA Cc1cc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)ccc1O 1565528285 ZQKBIAGUXZSSIM-AEFFLSMTSA-N 341.407 2.780 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CCc1ccsc1 275268393 JBVPMUZGCJTRGW-YOEHRIQHSA-N 333.457 2.677 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CCCC3)o1 275245017 BVKXSKWMWILQHJ-GFCCVEGCSA-N 333.413 2.532 0 50 EFAA CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 187395402 AKXFDJKJXUVDPB-XNRPHZJLSA-N 343.427 2.544 0 50 EFAA CCn1cc([C@H]2CN(Cc3nc4cc(F)ccc4o3)CCO2)cn1 190782607 IYXVLSXKZWNROM-MRXNPFEDSA-N 330.363 2.757 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccoc2)s1 671645037 ZMMUEFYVWHQPDW-SNVBAGLBSA-N 327.383 2.565 0 50 EFAA C[C@@H]1CCN(c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccn2)C1 674493508 LTIZGXUPZNNFHN-CYBMUJFWSA-N 336.395 2.527 0 50 EFAA C=Cn1cc(CNc2ccc(NS(C)(=O)=O)c(Cl)c2)cn1 194348875 YSDHOSWXYYJPIS-UHFFFAOYSA-N 326.809 2.621 0 50 EFAA C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCCN(c2cnn(C)c2)C1 195566253 DAMFBBBDDJADGM-NVXWUHKLSA-N 328.460 2.705 0 50 EFAA COc1ccccc1OCCCN(C)c1ncc(C(C)=O)c(C)n1 1704308579 FIAKTAHVAFRFHK-UHFFFAOYSA-N 329.400 2.902 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cc(O)ccc2F)n1 1772705474 TUYSFEOGXCYBQL-UHFFFAOYSA-N 329.253 2.579 0 50 EFAA Clc1cnn(CCN2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)c1 1772705684 ZFRHHNDDCRGDED-HKUYNNGSSA-N 344.890 2.691 0 50 EFAA CCc1ccc2nc(N3C[C@@H]4COCC[C@]4(CO)C3)cc(C)c2c1 1772707078 QXVOQSMIJSOVID-OXQOHEQNSA-N 326.440 2.941 0 50 EFAA COCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(C)cc1 12274343 BOODARBOVAETQO-UHFFFAOYSA-N 336.395 2.652 0 50 EFAA COc1ccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 12476553 CHOGDYFZGQUIEO-FQEVSTJZSA-N 328.456 2.920 0 50 EFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2CCCSC)cc1 14971993 OAPMDDJTLFGFAF-INIZCTEOSA-N 336.501 2.919 0 50 EFAA CCCc1nc(CN(CC)C(=O)c2nc3ccccn3c2C)no1 1857672594 GZWYJWWQKQRSLJ-UHFFFAOYSA-N 327.388 2.641 0 50 EFAA COc1cccc2c1OCCCN(C(=O)[C@@]1(C)CC13CCNCC3)C2 1857685372 TVSNCHPIYYWYDA-LJQANCHMSA-N 344.455 2.586 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCn2nccc2C1 1857713418 IAXSTUHUCVLEGM-NSHDSACASA-N 339.317 2.661 0 50 EFAA O=C(NCc1csc(-c2cccs2)n1)[C@@H]1CCn2nccc2C1 1857715569 YCUWEYOJZKNJQG-LLVKDONJSA-N 344.465 2.947 0 50 EFAA OC[C@@]12CO[C@@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2 101866100 AEZQGSQEXPUADE-BCDXTJNWSA-N 333.334 2.756 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1 212641490 RIDUDTUGSUEMJN-CVEARBPZSA-N 347.374 2.570 0 50 EFAA O=C(NCCC[C@H]1CCCC[C@H]1O)c1c[nH]c(=O)c2ccccc12 225543619 FBKSMOCNLVGXDM-CXAGYDPISA-N 328.412 2.589 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC1(O)CCOCC1 237719506 ARWDPUAHTDGHAG-UHFFFAOYSA-N 349.862 2.774 0 50 EFAA CCN(CC(=O)NCc1ccnc(C)n1)Cc1ccccc1Cl 239760935 CINMURRAMXHHLK-UHFFFAOYSA-N 332.835 2.577 0 50 EFAA CCc1ccc([C@H](CO)NC(=O)c2ncccc2Br)cc1 252492725 MUKUMIOFQZKRNJ-AWEZNQCLSA-N 349.228 2.870 0 50 EFAA O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@H](CN2CCCC2)C1 150758866 AYUIHCDFXVJXTB-BEFAXECRSA-N 345.462 2.563 0 50 EFAA NC(=O)[C@H](c1ccc(F)cc1)N1CCC(c2ccccc2CO)CC1 375571333 OJTRXQJYFYBOKA-IBGZPJMESA-N 342.414 2.724 0 50 EFAA O=C(O)c1cnc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1 263286245 POZMLSWVMFPONG-CQSZACIVSA-N 331.759 2.806 0 50 EFAA CC1(c2ccccc2C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CC1 821386847 WPTZWBOIJFYSSJ-ZDUSSCGKSA-N 338.411 2.562 0 50 EFAA C[C@@H]1C[C@H](CN2CCC(n3c(O)nc4cccnc43)CC2)CCO1 952884059 SPMJNIKTGVNCAS-ZIAGYGMSSA-N 330.432 2.589 0 50 EFAA C[C@@H](CS(=O)(=O)N(C)C)Nc1ccc(-c2ccco2)cc1F 1875285540 QCLHWAQUHSQHNY-NSHDSACASA-N 326.393 2.778 0 50 EFAA Cc1nn(Cc2cn(Cc3cnc(O)c4ccccc34)nn2)c(C)c1C 1875282916 YBYDAAFKRPRRDO-UHFFFAOYSA-N 348.410 2.750 0 50 EFAA Cc1ncc2c(n1)CC[C@H](C(=O)NCc1ccc3[nH]c(C)cc3c1)C2 1875283735 CWMPIHUVBKITTJ-HNNXBMFYSA-N 334.423 2.996 0 50 EFAA CC(C)Cn1nccc1C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875273683 AUKUWQFZUIXIBZ-UHFFFAOYSA-N 345.794 2.625 0 50 EFAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(C3CC3)nc2O)o1 1875404615 OWHAZXFVZGYRSU-SGTLLEGYSA-N 340.383 2.507 0 50 EFAA C[C@H]1CCc2ccccc2N1CCNC(=O)c1cc(C(F)F)ncn1 1774545707 WHHKDWRXVHDACC-LBPRGKRZSA-N 346.381 2.985 0 50 EFAA CC(C)(C)OCc1ccccc1C(=O)NCc1n[nH]c2c1COCC2 1775997800 MSFZWSUJORAUBL-UHFFFAOYSA-N 343.427 2.728 0 50 EFAA COC(=O)/C=C/c1ccc(NCc2ccc([C@H](C)O)c(C)n2)nc1 1775993873 NGBTVRRGIYVADP-NEXMIYJRSA-N 327.384 2.637 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)Nc1cc(C)c(C)nc1O)C2 2100483984 WSIYKPCKPNDCRF-ZDUSSCGKSA-N 328.368 2.602 0 50 EFAA CC1(C)CN(C(=O)[C@@H]2CCN2Cc2ccccc2)CC(C)(C)C1O 2325813211 YFSYJZZSPRMSTK-INIZCTEOSA-N 330.472 2.516 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1 468211 PWNLNFQRNNJJIP-UHFFFAOYSA-N 329.352 2.672 0 50 EFAA Cc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 470723 ZZNWGACDLCKNKN-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA Cc1cc(C)cc(N([C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 614785 CKVZQKNSISXSAQ-AWEZNQCLSA-N 338.473 2.517 0 50 EFAA Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C 1074232 QIOMLRONNFXJEZ-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA O=C(CCOc1ccccc1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356134461 OBUKWFWXQPOLJD-RTBURBONSA-N 325.408 2.833 0 50 EFAA O=C(CCn1cnc2ccccc21)N1CCC(OC(F)(F)F)CC1 2356151972 JLXSJPBHEMSRFD-UHFFFAOYSA-N 341.333 2.954 0 50 EFAA COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)on3)noc1-2 2466069 KYWUDHXBOHCKBV-UHFFFAOYSA-N 325.324 2.998 0 50 EFAA CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C1 248195692 PGEATDKPCYZYNZ-GVDBMIGSSA-N 349.475 2.754 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 3907363 VKMXCIDWPMDYGM-OUCADQQQSA-N 327.446 2.807 0 50 EFAA CCOC(=O)N1CCC(NC2CCN(Cc3ccccc3)CC2)CC1 4022963 RGSRYTUDCNEWKF-UHFFFAOYSA-N 345.487 2.862 0 50 EFAA Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 221808133 RBJIOGUTIAUOBP-ARFHVFGLSA-N 340.895 2.803 0 50 EFAA COC(=O)C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 10542213 GUYLMJHTIZHWIX-UHFFFAOYSA-N 339.819 2.911 0 50 EFAA COc1ccccc1-c1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 8971918 NOOROPYNXWUKQA-UHFFFAOYSA-N 333.347 2.683 0 50 EFAA Cc1nnc(SCCCNC(=O)c2ccc3c(c2)CCO3)s1 55415074 AQZDNOMNRKVSKP-UHFFFAOYSA-N 335.454 2.694 0 50 EFAA Cc1ccsc1CN(C(=O)[C@H]1CCCN1C(N)=O)C1CCCC1 55042682 IFQJYIUYXMASAG-CQSZACIVSA-N 335.473 2.871 0 50 EFAA Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1Br 343282512 RPMAXQFWSWUKOH-YNEHKIRRSA-N 341.249 2.519 0 50 EFAA CN1CCC2(CCCN(C(=O)c3n[nH]c4ccccc34)CC2)CC1 67674931 KOQHUWZDXBINMT-UHFFFAOYSA-N 326.444 2.901 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCC(N3CCC[C@H](O)C3)CC2)cc1 67755452 RKUGVONFNAJFEE-SFHVURJKSA-N 346.471 2.535 0 50 EFAA O=C(NCC1CCN(CC2CC2)CC1)c1cc2ccccc2oc1=O 67973948 HYJKVHIBYKZVHV-UHFFFAOYSA-N 340.423 2.645 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(SC)s1 247494700 CNNOVTCUQGQZIX-AXFHLTTASA-N 327.475 2.566 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1CCN(c2ccc(Cl)cn2)CC1 69406725 WZMADCZQHIAWDM-UHFFFAOYSA-N 343.814 2.632 0 50 EFAA Cc1cscc1NC(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 123705994 UIVMIMHMPKPNOA-CVEARBPZSA-N 337.489 2.946 0 50 EFAA C[C@@H](CCc1ccco1)NC(=O)c1cn2c3c(cccc3c1=O)CC2 65502479 HQFCYWHWOZXDMP-ZDUSSCGKSA-N 336.391 2.902 0 50 EFAA C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1nccs1 1363723726 ASLPUKBOAAHHRD-GFCCVEGCSA-N 337.470 2.880 0 50 EFAA NNC(=S)Nc1ccc(Br)cc1OC(F)(F)F 67800211 OEHVTZPYTOAZSB-UHFFFAOYSA-N 330.129 2.508 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCN(CC)CC 170623947 CZFMTDWDMHNEAQ-UHFFFAOYSA-N 348.896 2.667 0 50 EFAA COc1ccc(NC(=O)[C@H](C)Cn2cc(Br)cn2)cc1 2795614 SXULQBUBCXRFIJ-SNVBAGLBSA-N 338.205 2.929 0 50 EFAA Cn1cc([C@H](NC(=O)c2scc3c2CCCC3)[C@H]2C[C@@H](O)C2)cn1 219031334 FUWCEFUOGUHAHH-XNRPHZJLSA-N 345.468 2.602 0 50 EFAA C[C@H]1CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)C[C@H](C)C1 119381804 DLMNBVPFKGJUSM-QWHCGFSZSA-N 345.468 2.580 0 50 EFAA CC(C)c1cc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc(O)n1 123673190 KFROVMIEBKFFLQ-AWEZNQCLSA-N 334.416 2.716 0 50 EFAA COCc1nccc([C@@H]2CCCN([C@@H](C)c3nc(C4CC4)no3)C2)n1 229752484 LYKGCFMEQBRROY-GXTWGEPZSA-N 343.431 2.824 0 50 EFAA COc1ccc([C@H](CC(=O)O)NC(=O)C2[C@@H]3CCCC[C@@H]23)c(OC)c1 230221108 WHHTUYHHTKRLRE-NFAWXSAZSA-N 347.411 2.772 0 50 EFAA Cn1ccc(NC(=O)CN2CCC[C@H](CCc3ccc(F)cc3)C2)n1 72130714 ZVAOMSUZZOBEDJ-MRXNPFEDSA-N 344.434 2.843 0 50 EFAA CC1=CCC[C@H](C)[C@@H]1CNC1CCN(C(=O)c2cnccn2)CC1 252519006 AQQDEGWMFORTGX-DOTOQJQBSA-N 328.460 2.663 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 12592546 NKORJCKDZUEKEH-LBPRGKRZSA-N 343.402 2.666 0 50 EFAA C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCc1ccncc1 124476826 YSXIBZSXABZKEJ-GDBMZVCRSA-N 347.459 2.918 0 50 EFAA Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 152202923 FOMJYELSDHZSBU-NSHDSACASA-N 340.387 2.625 0 50 EFAA CCCc1cc(C(=O)N2CCN(c3ccccc3CC)CC2)n(C)n1 77539519 DSPPOLIFULVOND-UHFFFAOYSA-N 340.471 2.897 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nn1 35598014 NIEVMSHYEYZGQT-UHFFFAOYSA-N 329.379 2.587 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CC2(CCOCC2)O1 366171098 MPZVBZPHJYJRLE-OAHLLOKOSA-N 345.439 2.886 0 50 EFAA CC(C)CCC[C@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1 71707991 DXYFIXVCILSGQP-ZDUSSCGKSA-N 326.824 2.696 0 50 EFAA CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1C[C@H]1C1CCCCC1 155977788 HBIXISKGKAIPNK-IRXDYDNUSA-N 344.455 2.852 0 50 EFAA Cc1[nH]c2c(CN3CCC[C@H]3C(=O)N3CCOCC3)cccc2c1C 216205058 HTKQNRQRPKMNEO-SFHVURJKSA-N 341.455 2.608 0 50 EFAA CN(C)C(=O)[C@@H]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 332122528 IPTONASMDHUSGS-LXPRWKDFSA-N 343.471 2.833 0 50 EFAA O=C(Cc1noc2ccccc12)NC[C@H]1CC(=O)N(c2ccccc2)C1 216431895 UNAZETJYWPAJBZ-CQSZACIVSA-N 349.390 2.540 0 50 EFAA CC(C)n1ccc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)n1 262268394 ZUJAWRIAJLCVKY-UHFFFAOYSA-N 337.763 2.833 0 50 EFAA CCNC(=O)CCN1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71750089 IKAZVLCYFQDKBV-IBGZPJMESA-N 342.439 2.748 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1ccccc1[C@H]1CCNC1 72146520 CGKWERWAYOQOCN-HNNXBMFYSA-N 326.444 2.549 0 50 EFAA O=C(c1cc(-c2cccs2)on1)N1CCCC[C@H]1c1nc(O)n[nH]1 333141365 CJVRVEQAYXNDMC-JTQLQIEISA-N 345.384 2.594 0 50 EFAA C[C@@H]1CN(C(=O)Cc2noc([C@@H]3C[C@H]3C3CCCCC3)n2)C[C@@H](C)O1 333203645 OFAGXSMWGQAJDG-LUYZLQTOSA-N 347.459 2.932 0 50 EFAA Cc1c(NCc2ccccn2)cccc1C(=O)N1CCn2cncc2C1 72127466 KNQJRNIWFQRHKG-UHFFFAOYSA-N 347.422 2.855 0 50 EFAA Cc1ccccc1COC1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 377523464 JHGHDSRKWRGGJF-KRWDZBQOSA-N 344.455 2.561 0 50 EFAA CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@H]2CCC(=O)O)c1 262932054 KBEWFNADGMRHSC-ZDUSSCGKSA-N 336.363 2.644 0 50 EFAA Cc1cccc(CN2CCN(C(=O)CCCn3ccnc3C)CC2)c1 72478840 RAFKLDQZANZJNQ-UHFFFAOYSA-N 340.471 2.625 0 50 EFAA C[C@H](NC(=O)N1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 136431208 IEWRIAATTTXEQG-ZDUSSCGKSA-N 328.416 2.979 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)CC(C)(C)C 281957962 UENHQFNJYMRYJJ-UHFFFAOYSA-N 333.837 2.748 0 50 EFAA CNC(=O)c1cccc(C(=O)NCc2cc(OC)nc3ccccc23)c1 172767891 MBYVFAZHYQKWNX-UHFFFAOYSA-N 349.390 2.533 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 241644661 PSNOVEAQQIMCFU-OAHLLOKOSA-N 349.479 2.659 0 50 EFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H]1CSCCS1 242191337 XESVLSDXBCTGDD-STQMWFEESA-N 325.503 2.805 0 50 EFAA O=C(O)C1(Oc2cccc(F)c2)CCN(Cc2ccccn2)CC1 82121444 ZCYOXLFNIVNVDJ-UHFFFAOYSA-N 330.359 2.719 0 50 EFAA COc1ccc(CC(=O)N2CCN([C@H](C)c3ccsc3)CC2)nc1 339516786 SOWJLUUPXJVHCA-CQSZACIVSA-N 345.468 2.600 0 50 EFAA COc1ccc(CN2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nn1 283682488 WFHSCTUXCDYFGE-ZDUSSCGKSA-N 348.397 2.642 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 284738335 ULZWMJMMSLMMMU-AQNXPRMDSA-N 341.455 2.624 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1CCOC(c1ccccc1)c1ccccc1 284980123 XILSNAKWJPOULN-MSOLQXFVSA-N 342.414 2.690 0 50 EFAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 222439296 ADFBGRDZUXKUKP-WYUUTHIRSA-N 329.274 2.522 0 50 EFAA Cc1ncn(CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)c1C 221237195 UMICMKLXFHYTKG-UHFFFAOYSA-N 344.459 2.755 0 50 EFAA CCSCCN(C(=O)NCc1n[nH]c(C)n1)C1CCCCC1 426548788 MXCYKAIVPNHMGD-UHFFFAOYSA-N 325.482 2.711 0 50 EFAA COc1cccc(CNC(=O)N2CCCC[C@H]2c2cccn2C)n1 175413559 DLZCAEBNMHCTKK-INIZCTEOSA-N 328.416 2.866 0 50 EFAA COc1cc(Cl)ccc1C(=O)NCCCCCN1CCOCC1 221307401 XLPFUOKMYJNJID-UHFFFAOYSA-N 340.851 2.581 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](OCc2ccccc2)C1 97521959 FMWHCBXJSDMQSQ-KRWDZBQOSA-N 327.428 2.777 0 50 EFAA Cc1cc(C)n(-c2cccc(C(=O)NCCC3(O)CCCC3)c2)n1 96180691 CNXDBAMVPQDJCA-UHFFFAOYSA-N 327.428 2.914 0 50 EFAA COCCc1nc(-c2ccc(-c3ccc(C)o3)cc2)n(CCO)n1 96152897 ZCHZINZWOPROAL-UHFFFAOYSA-N 327.384 2.695 0 50 EFAA O=S(=O)(c1sccc1Cl)N1CCC(n2ccnc2)CC1 331870062 DUSFDPJOJVCNCL-UHFFFAOYSA-N 331.850 2.624 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCCn1ncc2ccccc21 95370084 DRGVOYNDIOXWTH-QGZVFWFLSA-N 328.460 2.807 0 50 EFAA COC[C@]1(O)CCN(C(=O)Cc2ccc(F)cc2Cl)CC1(C)C 91326675 BRISSQITHNIVAW-QGZVFWFLSA-N 343.826 2.658 0 50 EFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCc1c[nH]cn1 95358421 DIJPXGLRYLHUFD-OAHLLOKOSA-N 325.416 2.632 0 50 EFAA O=C(CCc1cccs1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91452382 RMXBIOGMGXTRPG-LSDHHAIUSA-N 332.469 2.540 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCc3ncnc(O)c3C2)CCCC1 292273331 GIJILNJAKLXOBC-UHFFFAOYSA-N 337.423 2.887 0 50 EFAA CCCc1noc([C@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 91255164 GUWVHIREENDVKM-AWEZNQCLSA-N 329.400 2.937 0 50 EFAA Cc1nc(C)c2c(n1)O[C@H](CN(C)Cc1ccc3nsnc3c1)C2 244708000 KLRIYGRBIDLXOR-ZDUSSCGKSA-N 341.440 2.534 0 50 EFAA COc1cccc([C@H]2[C@@H](NCC3=CCCOC3)CCN2C2CC2)c1 180376053 RMTPOFGWBVMVMJ-PMACEKPBSA-N 328.456 2.909 0 50 EFAA COc1ccc(CC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1F 181725589 AMBQASJRJHAUNF-AWEZNQCLSA-N 337.391 2.569 0 50 EFAA Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncnc1 296250288 IRAOXTYJYREWCL-OAHLLOKOSA-N 342.399 2.990 0 50 EFAA COCC1(CNC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)CC1 534634184 XSDOZHAXMNJITK-HNNXBMFYSA-N 338.473 2.865 0 50 EFAA O=C(CCn1cnc2ccccc21)N1CCCN(CC2CCC2)CC1 549729110 HPYZKIITRGRUHS-UHFFFAOYSA-N 340.471 2.761 0 50 EFAA Cc1cc(O)nc(C)c1C(=O)N[C@H](CCN(C)C)c1ccccc1 299760766 RFQNKQKKUWPRNA-MRXNPFEDSA-N 327.428 2.827 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2Cc2cccs2)[nH]n1 299778857 QWQQLFWPBYMFLN-NSHDSACASA-N 344.444 2.777 0 50 EFAA CC[C@H](NS(=O)(=O)N1CCC(C)CC1)c1nc(C)c(C)s1 822668789 FTMSJXCBSONJEQ-ZDUSSCGKSA-N 331.507 2.777 0 50 EFAA Cc1ccc(Cn2nc(C)nc2C[C@@H]2NC(=O)c3ccccc32)cc1 670448467 JNFKLSDYAMRHHC-SFHVURJKSA-N 332.407 2.970 0 50 EFAA Cc1cc(S(=O)(=O)N[C@@H](C)c2nncn2C(C)C)c(C)s1 670437799 QHGAWEXVDWUYNH-JTQLQIEISA-N 328.463 2.577 0 50 EFAA CN(CC1CC1)C[C@@H]1CCN(C(=O)C2(C(=O)O)CCCCCC2)C1 663107815 NUMWCUMAYRXEPP-INIZCTEOSA-N 336.476 2.602 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)c1ccn(C)n1 274823078 STSXOAZJHXUFAN-SECBINFHSA-N 343.353 2.562 0 50 EFAA CCOc1cc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)ncn1 275736676 VBABGEHJDGMLFM-OAHLLOKOSA-N 327.432 2.829 0 50 EFAA CCC(=O)N1CCC[C@@H](C(=O)Nc2nc3cccc(Cl)c3n2C)C1 186558422 CLTRGEMNMYUVEX-LLVKDONJSA-N 348.834 2.814 0 50 EFAA Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c(=O)n1C 278966436 HCQIZGUMJRKMSU-XJKSGUPXSA-N 343.427 2.970 0 50 EFAA Cc1cccc([C@@H](C)CNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 170602071 DUTKUMXFUSKRNS-JCGIZDLHSA-N 342.443 2.661 0 50 EFAA Cc1cc(=O)[nH]c(-c2cccc(OC(=O)CCC(F)(F)F)c2)n1 170645962 UJNPGNOUYDAJRY-UHFFFAOYSA-N 326.274 2.993 0 50 EFAA CN(Cc1nc(C(C)(C)C)no1)[C@H]1CCN(Cc2ccccc2)C1=O 191765587 KOWPUNDOADNBPV-HNNXBMFYSA-N 342.443 2.600 0 50 EFAA Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C(C)C)N3CCCC3=O)c2C)o1 192481981 INSDNWRQFGNUSJ-INIZCTEOSA-N 344.415 2.872 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1COc2ccccc2C1 194618322 ZFWZXCKRNZYXDI-QGZVFWFLSA-N 348.406 2.675 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2 195532234 DDTCFJYEBXWJSJ-URYASSDKSA-N 344.455 2.959 0 50 EFAA C[C@]1(O)CCN(C(=O)Cc2ccc(O)cc2)C[C@H]1Cc1ccccc1 216786404 VPIPSVWQDBKZDQ-NQIIRXRSSA-N 339.435 2.777 0 50 EFAA N[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1 237980633 APQGYCNORSWWHP-LLVKDONJSA-N 331.641 2.595 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1C1(O)CC1 1772807691 RVCNMKORIDXLQK-INIZCTEOSA-N 326.396 2.708 0 50 EFAA COc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 5396552 QMWPFAIMWGZHLT-UHFFFAOYSA-N 349.390 2.866 0 50 EFAA Cc1ccccc1[C@H](CC(=O)N1CCNC(=O)CC1)c1ccccc1 12207077 RAZUHHDOOARJHR-LJQANCHMSA-N 336.435 2.866 0 50 EFAA COc1cccc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 12390643 VZBCNWGXKZIPLH-HNNXBMFYSA-N 336.395 2.758 0 50 EFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCC1)C2 14747140 DBYGUTHASKOXLM-OAHLLOKOSA-N 332.492 2.630 0 50 EFAA Cc1ccsc1/C=c1\sc2nc(-c3cccs3)nn2c1=O 16265049 CYLXXVGGZZZIPA-XFFZJAGNSA-N 331.447 2.797 0 50 EFAA COc1ccc(OCc2nnc3sc(-c4ccncc4)nn23)cc1 16622890 XBVUINAFNSPLPQ-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 16624139 ZKYNNBNBSSMTEK-UHFFFAOYSA-N 348.424 2.675 0 50 EFAA O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1 19296328 CVNQDJQBJSEXTI-UHFFFAOYSA-N 348.809 2.635 0 50 EFAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 19527782 NZCSIMKWDDDKEA-NSHDSACASA-N 331.243 2.925 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(C(=O)C(C)(C)c3ccccc3)C[C@]23CC[C@H]1O3 1857737218 BPFNNWCJOIFJRI-XKGFGPFHSA-N 342.483 2.532 0 50 EFAA CCOc1ccccc1CN1CCN(C(=O)c2cscn2)[C@H](C)C1 225658191 QFDCTGLFSMJSIS-CQSZACIVSA-N 345.468 2.888 0 50 EFAA CCn1ncc(NC(=O)N2CC[C@H](O)CC(C)(C)C2)c1C(F)(F)F 331462426 NBHBBCIWXSDPHG-JTQLQIEISA-N 348.369 2.937 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](CCC(=O)O)C1 237080995 QZSABDUJHKKEKE-LBPRGKRZSA-N 339.819 2.995 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@H](C)[C@H]3CN)c2)cc1 237447692 WXNCUUORHJONMM-IFXJQAMLSA-N 339.439 2.957 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncc(F)cn2)C1 343584759 VVDJBIXHAULSQK-SECBINFHSA-N 329.301 2.752 0 50 EFAA Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)Cc3ccccc3Cl)CCO2)n1 156736110 CPVWYPCHXVCZON-IAQYHMDHSA-N 348.834 2.545 0 50 EFAA Cc1nc(N[C@@H](Cc2ccccc2)C(=O)O)cc(C(F)(F)F)n1 900939221 VDUIRQIUYGQWMR-NSHDSACASA-N 325.290 2.912 0 50 EFAA O=C(c1cccc2c[nH]nc12)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 927255334 QIZNHZVSBQYYLH-UZLBHIALSA-N 333.391 2.603 0 50 EFAA C[C@@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(OCC(=O)O)c1 952852410 LUIHGXJMACDFIU-UGSOOPFHSA-N 339.391 2.950 0 50 EFAA CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccnc(C)c1 1875273573 KSPVJZLAJAVVAZ-DLBZAZTESA-N 349.475 2.894 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NCc2nc3cc(F)ccc3n2C)[nH]1 1875255358 IKHQVGROUWRYGK-UHFFFAOYSA-N 348.385 2.907 0 50 EFAA COc1ccc([C@@H]2CCCN(C(=O)C3(C(=O)O)CC=CC3)C2)cc1F 1875291886 OTTIZVBKGUQCDU-CQSZACIVSA-N 347.386 2.961 0 50 EFAA CC1(c2nocc2C(=O)N2CCCC[C@H](C3CCOCC3)C2)COC1 1875369781 HDXLHARBZNMIPB-HNNXBMFYSA-N 348.443 2.631 0 50 EFAA CC(=O)Nc1cccc(Cn2c(Cc3ccc(F)cc3)noc2=O)c1 1875391647 OBMPOJMSBZMVRZ-UHFFFAOYSA-N 341.342 2.573 0 50 EFAA O=C(c1noc2c1CCCCC2)N1CCOc2ccccc2[C@H]1CO 887113346 SKVVANAUIASXHB-OAHLLOKOSA-N 342.395 2.512 0 50 EFAA CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C#N)c2nncs2)cc1 1775993905 XFXRJIBTAUKNME-CYBMUJFWSA-N 343.456 2.901 0 50 EFAA Cc1cc(C)n(-c2ccc(-c3noc([C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)n3)nc2)n1 904095324 DCGHAKDGRHZRKB-VUBIOHBQSA-N 349.394 2.825 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@H](N(C)C)C3)ncnc21 2100537007 GAIGJSFPYNNTKZ-OAHLLOKOSA-N 344.507 2.965 0 50 EFAA COc1ccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 514366 DKYQCTCFASKTIN-LBPRGKRZSA-N 329.352 2.508 0 50 EFAA CC(C)Oc1ccccc1OCCN1CCC[C@@]12CCCNC2=O 2356165729 HOMLKBJVXCMTLV-LJQANCHMSA-N 332.444 2.597 0 50 EFAA CCCOc1ccc(NC(=O)[C@H]2CC(=O)N3CCCN=C3S2)cc1 2728282 BGBVXEDRBCZGAM-CQSZACIVSA-N 347.440 2.508 0 50 EFAA aggregator COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)c(OC)c1 2891708 MGEBFDRIZCHRDF-GFCCVEGCSA-N 328.368 2.520 0 50 EFAA O=C(O)CCSc1nnc(-c2cccnc2)n1-c1ccccc1 4292090 JKXGLKQBRZTEFD-UHFFFAOYSA-N 326.381 2.896 0 50 EFAA CCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 4952658 OSOTYXSMFIVRFS-UHFFFAOYSA-N 343.452 2.942 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(F)cc1F 10334052 OHPVOHXRYRCDLA-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA CC(=O)Nc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 9331734 ILPFHXKBEHIGSI-UHFFFAOYSA-N 336.442 2.844 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCc3cccnc3)nc2)C1 20541961 IXWGANLRTNNXML-MRXNPFEDSA-N 340.427 2.587 0 50 EFAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)cc1 119980248 MEEPAENRUHERJD-CYBMUJFWSA-N 340.379 2.952 0 50 EFAA O=C1CC2(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)CN1 65385676 NCYNWXIWCNYQKU-UHFFFAOYSA-N 341.333 2.839 0 50 EFAA O=C1CC2(CC(C(=O)O)C2)c2cnn(Cc3cccc(Cl)c3)c2N1 65488664 ISAABRPOMZISCI-UHFFFAOYSA-N 345.786 2.659 0 50 EFAA CN(C)Cc1cn(C[C@@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63881756 MFTXUAKOSCMVBD-MRXNPFEDSA-N 347.507 2.549 0 50 EFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)s1 229396210 IDNZHJWJZKHFSC-QXEWZRGKSA-N 334.363 2.691 0 50 EFAA CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 67726750 CGMFQJVSEBEPDI-INIZCTEOSA-N 346.471 2.832 0 50 EFAA Fc1cc(F)cc([C@H]2CN(Cc3ncc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72167220 LNMOAFQWYAWKBA-BHIYHBOVSA-N 344.409 2.750 0 50 EFAA C[C@H](COc1ccccc1)NC(=O)c1ccc(N2CCOCC2)cc1 72437405 CUJNZMXXSAGHHC-MRXNPFEDSA-N 340.423 2.721 0 50 EFAA C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 229849358 FXWZJLGNDAMCSK-VCBZYWHSSA-N 338.455 2.928 0 50 EFAA O=S(=O)(C1=Cc2ccccc2CC1)N1CCO[C@H]2CCCC[C@H]21 230059597 ONBNCKGMLDCUJU-MSOLQXFVSA-N 333.453 2.947 0 50 EFAA CSC[C@H]1CCN([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 252510862 CHUKDOJZFOOSGH-FZMZJTMJSA-N 326.412 2.755 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@H](c1ccccn1)C1CCCC1 252585001 FLICDCXZQLIRTN-TVNOUSRMSA-N 340.423 2.952 0 50 EFAA COc1ccc(-c2ccc(-c3nccn3C)nn2)c(-n2cccn2)c1 215235469 VKMAIQOFWHABHL-UHFFFAOYSA-N 332.367 2.738 0 50 EFAA CCn1nc(C)c(CCNC(=O)c2cccc([C@H]3CCNC3)c2)c1C 72161709 XFOZTULRGSVJJK-SFHVURJKSA-N 340.471 2.569 0 50 EFAA COCC[C@@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1ccc(C)o1 253425628 SJIPTEWWNJLLOH-JKSUJKDBSA-N 335.448 2.545 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1CCNC1 253431776 IDEZBYONDOJROQ-CPUCHLNUSA-N 343.471 2.661 0 50 EFAA Cc1ncc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1C 12444482 URFXDZGFHVDBBZ-LJQANCHMSA-N 332.492 2.589 0 50 EFAA O=C(O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 238108643 SCVNOJTWGXKFBG-UHFFFAOYSA-N 332.183 2.699 0 50 EFAA CC(C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72470053 KPDZKORGLZOXTP-FQEVSTJZSA-N 343.471 2.859 0 50 EFAA Cc1cc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)[nH]n1 282799853 RJEHCJLWBGSBNS-CYBMUJFWSA-N 337.420 2.567 0 50 EFAA COC1(CC(=O)N2C[C@H](C)CN(C(C)=O)c3ccccc32)CCC1 365093559 SZMJQZWFLKGSFW-CQSZACIVSA-N 330.428 2.981 0 50 EFAA COc1cc(OC)cc(C2(O)CCN(C[C@@H]3CCSC3)CC2)c1 365928737 FOOWALZFQFLONX-AWEZNQCLSA-N 337.485 2.740 0 50 EFAA CC(C)c1n[nH]c2c1CN(C(=O)Cc1ccc(N(C)C)cc1)CC2 219020030 OBZYFFOGOZFVFD-UHFFFAOYSA-N 326.444 2.727 0 50 EFAA C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 367919125 VHUKOPNKCUYLLJ-BJICUUOASA-N 341.455 2.885 0 50 EFAA c1ccc(CN2CCC[C@@H]3CN(c4cncc5nncn45)CC[C@H]32)cc1 368058418 KKDKBIYBZFMUTC-QZTJIDSGSA-N 348.454 2.615 0 50 EFAA CN1C[C@@H](C(=O)N(C)Cc2cccc(F)c2)c2ccccc2C1=O 368471018 OYSSXDOVWRPOIK-QGZVFWFLSA-N 326.371 2.654 0 50 EFAA Cn1ccc(NC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)n1 158392056 RYONZOIROHEDLA-UHFFFAOYSA-N 330.779 2.962 0 50 EFAA O=C([C@H]1CC12CCNCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 261960510 RRZQQQIILAMIES-OAHLLOKOSA-N 338.455 2.659 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C(=O)O)C3)c2C(C)C)cc1 236868336 LETHQUWHGQZPBC-AWEZNQCLSA-N 341.411 2.851 0 50 EFAA NC(=O)[C@H]1c2ccccc2CCN1Cc1cc2ccccc2nc1O 371632732 KLJJMTHKFLXXEI-GOSISDBHSA-N 333.391 2.525 0 50 EFAA CC1(C)CCc2sc(NC(=O)N[C@@H]3CCn4ccnc4C3)nc21 333475263 DVUYKLYXTWTKAE-SNVBAGLBSA-N 331.445 2.700 0 50 EFAA CSc1nsc(NC(=O)N2CCCC[C@H]2c2ccnn2C)n1 281537929 ZEMXVIDVRIFWEJ-JTQLQIEISA-N 338.462 2.753 0 50 EFAA Cc1ccsc1-c1nccn1CCc1ccc(S(N)(=O)=O)cc1 71755441 LNGUSTKUVAKSFS-UHFFFAOYSA-N 347.465 2.810 0 50 EFAA CC(=O)c1cn(CCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12 40309466 OGUUUIXLZMXMBE-UHFFFAOYSA-N 349.390 2.972 0 50 EFAA biogenic CCCc1cc(CNC(=O)c2ccc(N[C@H]3CCSC3)nc2)on1 19741686 BXUHIOKQORVREZ-AWEZNQCLSA-N 346.456 2.870 0 50 EFAA CC(=O)N[C@@H]1[C@@H](Nc2cc(C)nc3c(F)cc(F)cc23)[C@H]2CCO[C@H]21 222261611 VBVXZGFEJXMLJQ-JZDMUPLMSA-N 347.365 2.525 0 50 EFAA COc1cc(C)cc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c1C 241439965 NNVXFUJEOZUECD-UGSOOPFHSA-N 334.416 2.724 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 378523565 RURCVLOQTTZCSJ-ZWKOTPCHSA-N 340.427 2.960 0 50 EFAA CC(C)CS(=O)(=O)CC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 242339141 ZFGLJMHGNQZQJW-INMHGKMJSA-N 337.485 2.850 0 50 EFAA Cc1sc2c(C)cccc2c1S(=O)(=O)N(C)[C@@H](C)C(=O)O 263199661 XBERTPYOAWIELN-VIFPVBQESA-N 327.427 2.612 0 50 EFAA O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@H](Cc2ccc(F)cc2)C1 177308933 VNVXKNCRXZQKAP-GDBMZVCRSA-N 343.406 2.526 0 50 EFAA CCn1c(S)nc2cc(C(=O)NC3(CC)CCC3)ccc2c1=O 175462414 WETXJEFJBLNNCR-UHFFFAOYSA-N 331.441 2.768 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)n1 263484738 VHICHXHSXHYBJF-DOTOQJQBSA-N 343.427 2.605 0 50 EFAA Cn1ncc(Br)c1CNc1cccc(CCC(=O)O)c1 263517963 PNNXUAYULBTHNO-UHFFFAOYSA-N 338.205 2.812 0 50 EFAA COCc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@@H]2C)[nH]n1 426589686 AJRHQMYVBLCTIB-NSHDSACASA-N 332.379 2.524 0 50 EFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cnc(C)c1C)CC3 220444314 VOIADHBNCIUEIP-UHFFFAOYSA-N 338.411 2.575 0 50 EFAA O=C(c1scc2c1OCCO2)N1CCC(CCn2cccn2)CC1 82099326 VUCOBEMMOLCZNY-UHFFFAOYSA-N 347.440 2.658 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)C1 426634312 PNHGANSTURPLJD-LBPRGKRZSA-N 344.242 2.722 0 50 EFAA COc1cccn(CC(=O)N2CCC[C@H](c3ccccc3)CC2)c1=O 95499290 IVLFODWUNIPGOY-KRWDZBQOSA-N 340.423 2.653 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)c3ccsc3)C[C@H]2NC(C)=O)cc1 91595585 SIOBQXPFOYBNBC-DLBZAZTESA-N 344.436 2.501 0 50 EFAA COc1ccc([C@H](C(=O)O)N2CCN(C3CCCC3)CC2)cc1C 95379794 FMGOEIHKQSYUIJ-GOSISDBHSA-N 332.444 2.690 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@H](c3cccc(C(=O)O)c3)C2)o1 95380932 ZMKZQEPEAZCTKM-HNNXBMFYSA-N 342.395 2.717 0 50 EFAA CSCCC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91563363 NHYOHRFRLMIEFZ-MRXNPFEDSA-N 344.484 2.786 0 50 EFAA Cc1c(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cnn1C 292537478 JFVFVVNOXJFKQS-UHFFFAOYSA-N 349.431 2.888 0 50 EFAA Cn1c(=O)c(CN2CCCC[C@@H]2CCC(=O)O)cc2ccccc21 97244218 LUKUZFNBDKVJCA-MRXNPFEDSA-N 328.412 2.758 0 50 EFAA Cc1nc(CC(=O)NCCn2nc(C(F)(F)F)cc2C)c(C)s1 243892334 AGFULMPVPRZUKE-UHFFFAOYSA-N 346.378 2.643 0 50 EFAA CCOc1ccccc1CS(=O)(=O)Cc1nnc(C2CCC2)n1C 181237191 IKOJEKMCYLOQQF-UHFFFAOYSA-N 349.456 2.596 0 50 EFAA C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)[C@H](C)CO1 182471803 FBRILUVAOLMDGX-IAGOWNOFSA-N 345.487 2.717 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 257346269 WZLPMEFLVNRRPZ-UZSPEORTSA-N 346.467 2.809 0 50 EFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)nc1 252540126 OTUGAIIHANGZRG-LNSITVRQSA-N 329.425 2.658 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 184273285 KUNJSCHRXVYNMU-PBHICJAKSA-N 331.412 2.570 0 50 EFAA COc1ccc(O)c(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 534585491 KTJVZKMAQBHCRZ-YLJYHZDGSA-N 341.407 2.958 0 50 EFAA Cc1ccccc1[C@]1(CC(=O)O)CC(=O)N(Cc2ccccc2)C1=O 299773652 DRVRZBPUNAKHBJ-HXUWFJFHSA-N 337.375 2.667 0 50 EFAA CC1(C)CC(N[C@H]2COCC[C@@H]2OCc2ccccn2)CC(C)(C)N1 1565515596 YXUYHTBVKYMXEB-ROUUACIJSA-N 347.503 2.655 0 50 EFAA Cc1ncccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 408103547 ICGBILDDCFEONX-UHFFFAOYSA-N 344.459 2.627 0 50 EFAA C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@H](C)S1=O 408341356 GXDJBQPYRLAZBO-QWRGUYRKSA-N 336.844 2.870 0 50 EFAA OC[C@@]1(c2ccccc2)CCN(c2nccnc2OC2CCC2)C1 663926710 LPYQZVCXOYADQF-LJQANCHMSA-N 325.412 2.548 0 50 EFAA Cn1c([C@@H]2CCCN2Cc2noc(C3CC3)n2)nc2c1CCCC2 276065264 UHASGLOMWPKIET-HNNXBMFYSA-N 327.432 2.896 0 50 EFAA Nc1ncnc(N2CCC[C@H]2Cn2cnc3ccccc32)c1Cl 277907880 UTSQMRKTVMLHBH-NSHDSACASA-N 328.807 2.731 0 50 EFAA C[C@H](NCc1ccc([S@](C)=O)cc1)[C@H](O)c1c(F)cccc1F 170027488 KRRTVWOHKUEBQL-RYNWUYHSSA-N 339.407 2.914 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@H]([C@H](C)CC)C1=O 170592696 JWILUHNBLWPAOE-RHSMWYFYSA-N 348.443 2.877 0 50 EFAA COc1cccc(-c2nnc(SCc3nc(C4CC4)n[nH]3)n2C)c1 170591809 QDGDZACNZIUHFZ-UHFFFAOYSA-N 342.428 2.779 0 50 EFAA O=C(OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cc2c(s1)CCC2 170652503 QZODWVMIGRZVPV-KGLIPLIRSA-N 349.452 2.564 0 50 EFAA Cc1nnc(CSc2nnc(N3CCC(C)CC3)n2C2CC2)o1 170626586 FMBROGVXBUYKOM-UHFFFAOYSA-N 334.449 2.833 0 50 EFAA CCc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n(C)n1 635224446 YNJBSHCKHLSIGI-GFCCVEGCSA-N 340.427 2.822 0 50 EFAA CCc1ncnc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)c1F 190444764 YRTOSZBGWVRGDM-ZDUSSCGKSA-N 349.479 2.901 0 50 EFAA CC(C)c1nc2c(n1C)CCN([C@@H]1CCc3ccccc3NC1=O)C2 192012198 YSFPHKIEPMZCCA-GOSISDBHSA-N 338.455 2.855 0 50 EFAA COc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)c(OC)c1 675534801 VUGQGWQNIYTVAT-BRWVUGGUSA-N 348.443 2.503 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21 659195003 NSEDIAXMTPDOID-VCOSZWKGSA-N 347.459 2.632 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c1 869284606 HKCSPOHEWDQUBM-AWEZNQCLSA-N 328.412 2.985 0 50 EFAA O=C(CCCc1cccs1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1615735511 TUAXNBJAOGFNPQ-YOEHRIQHSA-N 330.453 2.528 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)c1cnc2ccccn2c1=O 1529178062 GSJDIRLKXSZGCC-UHFFFAOYSA-N 337.383 2.567 0 50 EFAA COc1cccc(SCC(=O)Nc2nnc([C@@H](C)OC)s2)c1 1529167447 JSARGURUSMAWPH-SECBINFHSA-N 339.442 2.985 0 50 EFAA COC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 5144881 CVQIPDHBGLZWQY-UHFFFAOYSA-N 332.381 2.503 0 50 EFAA Cc1ccc(CN(C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)o1 11817988 DWEONMJEUZWJEV-HXUWFJFHSA-N 348.487 2.954 0 50 EFAA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CCN(C)CC1 12380602 YYHSSVIZIGMGGV-SNVBAGLBSA-N 331.243 2.971 0 50 EFAA NC(=O)c1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 12406156 OWGHRSUVSUJPSA-HNNXBMFYSA-N 340.379 2.596 0 50 EFAA COc1cccc2c1ccn2CCC(=O)N[C@H](CC(C)C)C(=O)O 206412769 VAOVYPHBEGSEQV-CQSZACIVSA-N 332.400 2.656 0 50 EFAA CCCCc1nc(-c2nccn2C[C@@H]2CN(C)CCO2)c(Cl)[nH]1 1857728698 MQDZMJAJNNDNBJ-LBPRGKRZSA-N 337.855 2.600 0 50 EFAA COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 225423068 HPQBTNJYRQYEOM-QFBILLFUSA-N 346.471 2.765 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 237245978 HYFMXDCIJBAVPM-LBPRGKRZSA-N 332.835 2.802 0 50 EFAA CNCCN(C)C(=O)c1occc1CN1c2ccccc2C[C@@H]1C 237342578 JPZRLROOSXDTKY-AWEZNQCLSA-N 327.428 2.522 0 50 EFAA COc1nc(N2CCCCCC2)nc(N2CCC(C(F)F)CC2)n1 675801325 FKNSUATZAFRQDJ-UHFFFAOYSA-N 341.406 2.742 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3ccccc3Cl)C2)n1 253417108 RFPFHASDVDPAOT-AWEZNQCLSA-N 332.835 2.733 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cncc(F)c2)on1 373385426 PQJFZRPJSZKVRQ-HOTGVXAUSA-N 336.386 2.562 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1C[C@@H](C(=O)O)CC[C@H]1C 263245705 SEPYAQPGHWGPRV-MNOVXSKESA-N 325.792 2.603 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CC[C@@H](OC(=O)N(C)C)C1 496778518 QJQICPVHYJMHEX-CYBMUJFWSA-N 330.384 2.583 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1c1ccccc1 901890690 MNGUXVZWWRRZFN-QWHCGFSZSA-N 339.317 2.729 0 50 EFAA Cn1ncc(C(=O)O)c1C(=O)N(Cc1ccccc1Cl)CC1CC1 902108517 LFBNDCKHHWQJIX-UHFFFAOYSA-N 347.802 2.824 0 50 EFAA C[C@@]1(C(=O)NCC2(CO)CC3(CCC3)C2)CC(c2ccccc2)=NO1 857196058 HAJUTWZCSOBNFI-SFHVURJKSA-N 342.439 2.629 0 50 EFAA Cc1ccccc1[C@@H](O)C1CCN(C(=O)Cc2cncc(O)c2)CC1 848378382 PANMJCRSVXFEHY-FQEVSTJZSA-N 340.423 2.610 0 50 EFAA O[C@@H]1CN(c2ccnc(C3CCCC3)n2)C[C@H]1Oc1ccccc1 1875269403 RKQIJQAFJOQMMM-IAGOWNOFSA-N 325.412 2.763 0 50 EFAA CNC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccn1 892291915 SNKFXHIHWOCDCS-INIZCTEOSA-N 349.793 2.812 0 50 EFAA COc1ccc(CNc2cccc(N3C(=O)CCCC3=O)c2)nc1 894150112 YVIRJKJXCKXCRA-UHFFFAOYSA-N 325.368 2.746 0 50 EFAA CC(C)C(=O)N[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988442 AKSDZAOPPWOCPG-VXGBXAGGSA-N 338.333 2.974 0 50 EFAA CCOC(=O)c1c(N)nn(C(=O)c2ccccc2)c1-c1ccccc1 98740 LYKRGJMCSVKXGT-UHFFFAOYSA-N 335.363 2.998 0 50 EFAA O=C(NCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 3995380 YPAWNTYHOKFGPC-RCCFBDPRSA-N 343.423 2.607 0 50 EFAA Cn1ncc2c1CC(C)(C)CN(C(=O)C[C@@H]1OCCCC1(C)C)C2 2325780921 XZHIMQPGRRTFSS-INIZCTEOSA-N 333.476 2.926 0 50 EFAA O=C(C[C@@H]1Cc2ccccc2CN1)NCc1ccc2cnccc2c1 2325856108 BEBXCLCVYGCUNP-FQEVSTJZSA-N 331.419 2.956 0 50 EFAA COc1cc(CCNC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)ccc1C 119017489 JMHRGIBJGCMKKG-QZTJIDSGSA-N 345.487 2.672 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1 34481 XKVYTCWZDBSIFV-UHFFFAOYSA-N 326.371 2.991 0 50 EFAA Cc1cccc(CCNC(=O)N2CCOC[C@H]2c2ccc(F)cc2)n1 458740585 MICLJJCWDGOYOP-SFHVURJKSA-N 343.402 2.855 0 50 EFAA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)c(C(N)=O)c1 1164442 ODSMGYIMQPCMBJ-UHFFFAOYSA-N 344.436 2.544 0 50 EFAA Cc1nc(C[C@@H]2CCCN([C@H]3CCc4ccccc4NC3=O)C2)no1 248834496 JIDZICIIEPNZTO-YOEHRIQHSA-N 340.427 2.586 0 50 EFAA Nc1ccccc1C(=O)NCCNC(=O)Nc1cccc2ccccc12 225394516 OKHWLMFNMVUFQS-UHFFFAOYSA-N 348.406 2.974 0 50 EFAA CCCn1cnnc1CNC(=O)CSCc1ccccc1Cl 55119374 AQGYJKXVFVPHBF-UHFFFAOYSA-N 338.864 2.891 0 50 EFAA COCCC1(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 225600713 GKMBYAZAEPCEQJ-IFXJQAMLSA-N 337.460 2.774 0 50 EFAA CC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2ccccc21 9048965 HSUOPXFDMDVUTM-UHFFFAOYSA-N 329.429 2.531 0 50 EFAA COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1 9249992 XUOONNHPFFRJRK-UHFFFAOYSA-N 341.440 2.553 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 9356024 DRWZZUVQIFDCPC-CQSZACIVSA-N 346.452 2.809 0 50 EFAA CCOC(=O)[C@H](C)NC(=O)CCC(=O)Nc1ccccc1C(C)C 55280989 UDOBGXFOMLERFM-ZDUSSCGKSA-N 334.416 2.597 0 50 EFAA CC[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(F)cc2F)oc1C 55227889 MUNZFHMOGNUDMW-OAHLLOKOSA-N 335.354 2.639 0 50 EFAA CCc1ncc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)cn1 55393173 IZLPLBCXZWETRU-OAHLLOKOSA-N 331.441 2.922 0 50 EFAA O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 100288717 UDRMXNDNRKZTRX-OAHLLOKOSA-N 340.404 2.690 0 50 EFAA Cc1cccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)c1 20408234 PZSWYTWGNOXOBA-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA Cc1cccn2c(CC(=O)NCc3ccc4c(c3)C[C@H](C)O4)cnc12 65394149 NWPXPVMTUQSGCX-AWEZNQCLSA-N 335.407 2.825 0 50 EFAA O=C1C[C@H](c2ccc(Cl)nc2)c2c(-c3cccnc3)n[nH]c2N1 65387654 YQVOGGLSKBZPOH-LLVKDONJSA-N 325.759 2.994 0 50 EFAA CC(C)NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccnnc2)s1 20600401 GOHMFSRSTXBLKJ-ZDUSSCGKSA-N 344.440 2.654 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 65426134 UFPKRIIJCYAYAQ-SFHVURJKSA-N 335.411 2.773 0 50 EFAA CCc1ccc(CN2CC[C@@H](CNC(=O)c3ccc(C)nc3)C2)nc1 67872970 GOIWLSZBYUFQCY-KRWDZBQOSA-N 338.455 2.599 0 50 EFAA C[C@H](CNC(=O)c1ccc(-n2cnnc2)cc1)N(C)c1ccccc1 120671769 IOKDXXBPYRFAQW-OAHLLOKOSA-N 335.411 2.522 0 50 EFAA O=C(c1ccc2c(c1)CNC2)N1CCO[C@H](CCc2ccccc2)C1 423773065 MBGJQOMDDKJKDT-HXUWFJFHSA-N 336.435 2.764 0 50 EFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 229504823 XRUKPBJHNJPGDG-MGPQQGTHSA-N 339.313 2.690 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCC[C@H]1Oc1ccccc1)c1cnn(C)c1 252477647 SBHWVZKPJMTDCE-RRQGHBQHSA-N 328.416 2.780 0 50 EFAA NC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1063579 SZMOVUUYVCNNAO-UHFFFAOYSA-N 329.739 2.978 0 50 EFAA biogenic COc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(O)c(C)c2)cc1 1400664 MTNZBHPEPWPITL-UHFFFAOYSA-N 334.393 2.674 0 50 EFAA COc1cccc([C@H](CNC(=O)Nc2ccncc2C)N(C)C)c1 121474893 ZITQCZNPIWVBSQ-KRWDZBQOSA-N 328.416 2.823 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccc(F)cc2)=NO1 5029704 OFDDXNWIMRHVKC-INIZCTEOSA-N 328.299 2.686 0 50 EFAA Cc1ccc(N2CCC[C@@H](NC(=O)c3ccoc3C3CC3)C2)nn1 253395033 LSQKYCQNBDZHND-CQSZACIVSA-N 326.400 2.654 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1CCOc1ccc(F)cc1Cl 253395091 CMCPGKHIQBGXTG-FVQBIDKESA-N 343.826 2.720 0 50 EFAA O=C(NCc1ccc(Br)s1)N[C@@H]1CCO[C@H]1C1CC1 253415927 FJSRDHLMPNGZTB-PWSUYJOCSA-N 345.262 2.877 0 50 EFAA COCC1(NC(=O)Nc2ccnc(C)c2Br)CCC1 253420934 NKIGAKPWHGPIDS-UHFFFAOYSA-N 328.210 2.843 0 50 EFAA C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc2c(cn1)OCCC2 328587159 AMMIVYLZAUNLMW-RISCZKNCSA-N 332.425 2.710 0 50 EFAA Cn1c(CN2CC[C@](O)(CN3CCCCC3)C2)cc2ccccc21 77470051 CTOJFVZSMPMTPH-FQEVSTJZSA-N 327.472 2.601 0 50 EFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCOC[C@@H](CO)C1 77506117 UTAKQCYXARDBKN-CQSZACIVSA-N 329.371 2.574 0 50 EFAA CC1(C)C[C@@H](c2nccn2-c2ccc(Oc3nnn[nH]3)cc2)CCO1 72149678 LCASGQFWUBWAEO-LBPRGKRZSA-N 340.387 2.850 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)Cc2cccc(C(=O)O)c2)CCO1 361764591 VVEWILIEGDEEGR-SFHVURJKSA-N 339.391 2.836 0 50 EFAA CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C 363969728 JEFIQHABSJIWFU-CABCVRRESA-N 333.432 2.725 0 50 EFAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3(C(=O)O)CC3)cc2)n1 154932569 IUSFMENFDQLMDN-CYBMUJFWSA-N 327.384 2.531 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)cc1 77287985 LPQAJJMJAZLXOA-INIZCTEOSA-N 342.443 2.672 0 50 EFAA Cc1nn(C)cc1N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 365002823 VTPDFWFNPFEDBI-OAHLLOKOSA-N 334.370 2.610 0 50 EFAA Cc1c2c(cc(Br)c1OC[C@@](C)(O)CO)CCCC2 71766971 VLLDDYNANOKIHU-HNNXBMFYSA-N 329.234 2.758 0 50 EFAA CN1C[C@]2(CCCN(Cc3nc4c(s3)CCCC4)CC2)OC1=O 72146830 CSIFOBVYWAZILH-QGZVFWFLSA-N 335.473 2.829 0 50 EFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4ccnc(N)c4)C3)nc12 77356701 GTDMJPOKSBSRBS-CQSZACIVSA-N 335.411 2.868 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1Cc2nc(C)n(C)c(=O)c2C1 215089991 IJAMOQIMVUCABS-UHFFFAOYSA-N 342.424 2.629 0 50 EFAA Cc1nc[nH]c1-c1nccn1[C@@H]1CCCN(C(=O)c2ccco2)C1 77438421 MRVBIJFWZQSQFD-CYBMUJFWSA-N 325.372 2.652 0 50 EFAA CCOC(=O)C[C@H](C)Nc1nc(C2CCCC2)nc2c1cnn2C 72140194 NLXJFYXONIWIRU-NSHDSACASA-N 331.420 2.775 0 50 EFAA O=S(=O)(C[C@@H]1CCCCO1)N[C@H]1CCCc2c(F)cc(F)cc21 333061734 ILRRAOJVMFRVOG-LRDDRELGSA-N 345.411 2.831 0 50 EFAA CCc1nc2nnc3c(=O)n(-c4cccc5ccccc45)ccc3n2n1 71376399 IPALYIJNZYDBTI-UHFFFAOYSA-N 342.362 2.539 0 50 EFAA CC(C)c1c(C(=O)NCC[C@@H]2CCNC2)cnn1-c1ccc(F)cc1 262601006 XMQZBPJMVIXNPZ-AWEZNQCLSA-N 344.434 2.864 0 50 EFAA Cc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cccc3ncccc23)n1 77437812 DNEJOKBUKURATB-ZDUSSCGKSA-N 337.427 2.738 0 50 EFAA CCc1ccc([C@@H](CNC(=O)c2cncnc2C2CC2)N(C)C)cc1 454374204 JWMUWXYUUGZSPA-GOSISDBHSA-N 338.455 2.949 0 50 EFAA Cc1c(C)c(C)c(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c(C)c1C 131127825 ARFBVGYNOOJFIV-SFHVURJKSA-N 347.503 2.701 0 50 EFAA C[C@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C=O)CC3)cc21 226074851 BWGKEWPVXRKRKJ-AWEZNQCLSA-N 345.512 2.858 0 50 EFAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ncc[nH]1)n2C(C)C 82170997 OKUKNDZHGSSDIB-UHFFFAOYSA-N 347.444 2.694 0 50 EFAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCCCN(C)C 426726769 LUXUFTJGLNGSEG-CQSZACIVSA-N 329.448 2.731 0 50 EFAA Cn1nnc2cc(C(=O)N3CC(C)(C)[C@H]3c3cccs3)cnc21 288510939 FMTQCHJFRNFSJH-CYBMUJFWSA-N 327.413 2.648 0 50 EFAA CC(C)Cc1nc(CN(C)C(=O)NCc2cc(F)cc(F)c2)no1 426509363 KOPUNSDIOIYXBI-UHFFFAOYSA-N 338.358 2.888 0 50 EFAA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(C)cc1C 20614294 WBMMSIOZUXBNPY-UHFFFAOYSA-N 341.864 2.994 0 50 EFAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ccc(-c2cncnc2)cc1 426515789 UUGGAPVHYHFHPQ-ZDUSSCGKSA-N 336.399 2.807 0 50 EFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)C1CCC1)CC2 426562792 BEQBXFOGGZMXER-TXPKVOOTSA-N 330.428 2.799 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2 91746886 FKYWAYGTMFAFGD-UHFFFAOYSA-N 329.444 2.621 0 50 EFAA Cn1c(CN2CC[C@H](Oc3ccccc3Cl)C2)nnc1C1CC1 178972211 BHFKQVUZXMLUKG-ZDUSSCGKSA-N 332.835 2.999 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 239761771 CKKNNMONOKXNHU-XAJHFOFHSA-N 346.471 2.731 0 50 EFAA Cc1nc2sccn2c1C(=O)NC[C@H](c1ccco1)N1CCCC1 97568955 CVIIGHXSEVSRCU-CYBMUJFWSA-N 344.440 2.864 0 50 EFAA CCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 334160371 CFXAXNUAESJSEE-NVXWUHKLSA-N 349.475 2.729 0 50 EFAA Cc1ccc2nc(C(=O)N[C@H](C(=O)O)c3ccc(Cl)cc3)cn2c1 95512399 BBSJQYJXUNKJLM-HNNXBMFYSA-N 343.770 2.852 0 50 EFAA Cc1csc([C@H](C)NC(=O)c2cnc(-c3cccnc3)nc2O)n1 91593833 NDIHSRDTASMTED-JTQLQIEISA-N 341.396 2.500 0 50 EFAA C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccnn2CC(F)(F)F)C1 294508366 KTOYNQNZQYCMIP-GFCCVEGCSA-N 346.397 2.686 0 50 EFAA CC[C@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)[C@H]1C[C@H](O)C1 244794851 QVCKJMSIXJYNED-KKUMJFAQSA-N 329.444 2.778 0 50 EFAA Cc1ccccc1OCCNC(=O)N(C)CCc1noc(C(C)C)n1 584884758 FEDLFPKNIYRGAG-UHFFFAOYSA-N 346.431 2.764 0 50 EFAA CCc1nccn1CCCNCC1=Cc2cc(OC)ccc2OC1 952963967 KHQPDPFMNHSNSX-UHFFFAOYSA-N 327.428 2.910 0 50 EFAA Cc1ccccc1-c1noc(CCCC(=O)N[C@H]2C[C@H]3OCC[C@@H]23)n1 1565530086 BFBOOXHVYHLHPJ-HRCADAONSA-N 341.411 2.661 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(CC)Cc1nc(O)c2ccccc2n1 408474588 GBSNLALMDCXYCL-HOCLYGCPSA-N 343.427 2.889 0 50 EFAA c1cnc(N2CCCC2)c(O[C@@H]2CCN(CCc3cncs3)C2)c1 408521538 XYLQOSGBQHCJST-OAHLLOKOSA-N 344.484 2.834 0 50 EFAA CCOc1ccccc1OCCCC(=O)N1CC[C@@](C)(C(=O)O)C1 268935095 BOXYZCQLKMAUEJ-GOSISDBHSA-N 335.400 2.568 0 50 EFAA Cn1nccc1CCNC(=O)c1csc(Cc2ccccc2F)n1 185840395 FOIOLVRNRPQXRM-UHFFFAOYSA-N 344.415 2.579 0 50 EFAA O=C1COc2cc(NC(=O)NC3(Cc4ccccc4)CC3)ccc2N1 186344312 IRLDFWFNWIYURN-UHFFFAOYSA-N 337.379 2.914 0 50 EFAA C[C@H]1COC2(CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)O1 169991709 VGWKMLQMJCUMIW-ZDUSSCGKSA-N 331.412 2.639 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c2cccnc12 187551308 WNQDXXBVLVEQHO-AWEZNQCLSA-N 344.436 2.697 0 50 EFAA C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1nnnn1C1CC1 192761730 GMCHYOPZZWIHLP-GRDNDAEWSA-N 327.432 2.827 0 50 EFAA O=C(Nc1nc2c(s1)CCCCCC2)N[C@H]1CCc2ncnn2C1 194516744 KGTSEDBVNWXETJ-NSHDSACASA-N 346.460 2.530 0 50 EFAA Cn1cncc1C(=O)N1CCCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 1529112331 LIOVNEDTJKOGJE-IRXDYDNUSA-N 342.487 2.560 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@H]2CCOC[C@@H]2OC)o1 1772701783 BIFYJMUFLBKWNX-ZFWWWQNUSA-N 333.388 2.741 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1[nH]c2ccccc2c1Cl 1772706832 VYWXRMFHRGUNOL-MNOVXSKESA-N 331.803 2.657 0 50 EFAA Cc1cccc(-n2nnnc2SCCC(=O)Nc2nccs2)c1 12274092 YQUBPHTTXNNJDD-UHFFFAOYSA-N 346.441 2.548 0 50 EFAA COC(=O)c1cc(C2CC2)nc2c1c(=O)nc(S)n2C1CCCC1 12394824 YCWVNNNSLINFKN-UHFFFAOYSA-N 345.424 2.859 0 50 EFAA CC(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 15064090 LCEOSIVJJIZRMR-GFCCVEGCSA-N 328.334 2.579 0 50 EFAA O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccncc1 169753325 MEMLXCFKIFUNMK-KRWDZBQOSA-N 347.422 2.871 0 50 EFAA COc1c(C(=O)O)cc(-c2cc(C(C)=O)ccn2)c(OC)c1OC 1875247309 ZGFCMRQKCUGWKF-UHFFFAOYSA-N 331.324 2.675 0 50 EFAA CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N(C)Cc2ccccn2)cn1 328619909 GKHUJGLBULGVTB-DLBZAZTESA-N 328.416 2.595 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(C(N)=O)n1 330865828 CDEQRFKZCXMEIW-NFAWXSAZSA-N 333.432 2.596 0 50 EFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 252584487 ARRXOSGGGLCADA-BQUFFADESA-N 344.333 2.918 0 50 EFAA Cc1n[nH]cc1C(=O)N1CCC2(CC1)C[C@H]2c1nnc(C(C)C)o1 363216931 IHHLBDYZSQRHOA-ZDUSSCGKSA-N 329.404 2.634 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)c(C)n1 375156259 AUIDWEYZBGZJJB-OAHLLOKOSA-N 329.400 2.735 0 50 EFAA O=C(O)[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C1CC1 262689555 ZSZUQOUTHHYBGZ-KGLIPLIRSA-N 341.329 2.817 0 50 EFAA CCc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)no1 911997069 UKDZNOLTGLGXJL-UONOGXRCSA-N 349.431 2.803 0 50 EFAA CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(C(N)=O)n1 904069065 HIKUVAQFYKTKRZ-JTQLQIEISA-N 340.177 2.707 0 50 EFAA O=C(NC1(CO)CCSCC1)c1ccc(Cc2ccccc2)[nH]1 822429900 GFLLPVFBBKAXMA-UHFFFAOYSA-N 330.453 2.593 0 50 EFAA O=C(NCC1SCCS1)c1ccc2nc(O)n(C3CC3)c2c1 856158983 MWQYQWZVUYTDNE-UHFFFAOYSA-N 335.454 2.613 0 50 EFAA CCOc1cc(C)ccc1NC(=O)NCc1cc(O)nc(SC)n1 952882826 KKIZACUUMIBYDH-UHFFFAOYSA-N 348.428 2.933 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccncc2CC)C3)o1 952850907 ACKDPFHDVLMBIA-LIRRHRJNSA-N 340.427 2.783 0 50 EFAA Oc1cc(-c2noc(C3CCN(c4ncccn4)CC3)n2)ccc1F 1875290885 GXXRJYHUESNPCZ-UHFFFAOYSA-N 341.346 2.755 0 50 EFAA O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)[C@@H]1C[C@H]1c1ccccn1 1875332256 QPMIEUXRYASIJY-ZIAGYGMSSA-N 340.333 2.914 0 50 EFAA 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JANDXLILDXBDQH-UHFFFAOYSA-N 327.446 2.620 0 50 EFAA CC(C)(C)CN1C[C@H](NCc2cccn2-c2ccccn2)CC1=O 11821941 WGGUCXLTEDMYLN-OAHLLOKOSA-N 326.444 2.609 0 50 EFAA C[C@H](C(=O)N1CCCCC[C@@H]1C=Cc1ccccc1)S(C)(=O)=O 1857533277 GGMSCZKMOWVOSR-NVXWUHKLSA-N 335.469 2.904 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCOC2(CCNCC2)C1 1857678155 CJMXXGSMAAXKLE-SFHVURJKSA-N 340.471 2.810 0 50 EFAA Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)c1 1857737925 JPKDWCYSZGEEDS-IKGGRYGDSA-N 336.863 2.876 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)cc1 302728053 TYVOZVHRSPDUOY-GOSISDBHSA-N 347.436 2.764 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CCC(F)(F)C2)c1 328589408 RCBJDIQIHUCXCK-GUTXKFCHSA-N 325.355 2.765 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 238071087 WWHCHCKSQXZZPT-CYBMUJFWSA-N 334.372 2.567 0 50 EFAA CC1(C)[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCO[C@H]21 247068516 SVOORIOFXBCKGB-DZOHQFGASA-N 343.471 2.626 0 50 EFAA COc1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1O 247866262 AWPUQXBNKFPOFL-CVEARBPZSA-N 327.380 2.701 0 50 EFAA CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)CC1 666355189 DFCDEATVCXVMQR-SFHVURJKSA-N 346.446 2.961 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 266429185 RTMKCTQRJGQIFY-MSOLQXFVSA-N 339.439 2.876 0 50 EFAA O=C(N[C@H]1CCCCNC1=O)c1c(Cl)cccc1OCC1CC1 902478528 YLLURVZHMHMKBZ-ZDUSSCGKSA-N 336.819 2.527 0 50 EFAA CC(C)(C(=O)NC[C@]12CCC[C@H]1OCC2)c1ccc2c(c1)OCO2 830759407 NLJQZNHEMSUVFB-VQIMIIECSA-N 331.412 2.768 0 50 EFAA Cc1cn2cc(NC(=O)N[C@H](c3cnn(C)c3)C(C)C)ccc2n1 930139753 QBKSCYOSCWWQRL-INIZCTEOSA-N 326.404 2.895 0 50 EFAA CN(C)c1cc(NC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)ncn1 931112820 VLNHAUGBXZUBPZ-IUODEOHRSA-N 347.369 2.713 0 50 EFAA C=CS(=O)(=O)CCC(=O)Nc1cc(-c2ccccc2)cnc1C 952878867 DUONXHBUDOQIFP-UHFFFAOYSA-N 330.409 2.944 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccn2)CN(Cc2cnns2)C1 952894248 XXXXOEMQTMXOEQ-UHFFFAOYSA-N 340.456 2.703 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCn3cc(C)nc3[C@H]2C)cc1 1875373863 RJRGWAWEQAVUJV-CQSZACIVSA-N 338.411 2.557 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(=O)N[C@@H]2CC[C@H]21 1875307636 HDOHBURISPFQNC-NVXWUHKLSA-N 336.395 2.552 0 50 EFAA CO[C@]1(c2nnc(Cn3c(C4CC4)nc4ccccc43)o2)CCOC1 886085759 OAKRSORUZKBTRZ-GOSISDBHSA-N 340.383 2.607 0 50 EFAA Cn1cc(CCNC(=O)N[C@@H]2CCOC23CCCC3)c2cccnc21 896239488 LYBMPNUGHLKYLX-MRXNPFEDSA-N 342.443 2.517 0 50 EFAA CCOCCc1nc(COc2ccccc2Br)n[nH]1 1775996675 DCFCMIQXCPUVJV-UHFFFAOYSA-N 326.194 2.725 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@@](CO)(C(F)(F)F)C1 899610929 FDWAXKBCVOABFU-CZUORRHYSA-N 345.361 2.926 0 50 EFAA CSc1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 612384 LCDFOBDMQRSNNY-UHFFFAOYSA-N 343.387 2.840 0 50 EFAA O=C(COc1ccc(F)cc1)N1CC2(COc3ccccc3C2)C1 2100543346 QGOZYRMGCKVCDX-UHFFFAOYSA-N 327.355 2.668 0 50 EFAA C[C@@]1(CC(=O)N(Cc2ccncc2)Cc2cccnc2)CCCO1 2325776548 XZLMSJSPBYCWTJ-IBGZPJMESA-N 325.412 2.965 0 50 EFAA CCc1cccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1 127073160 WTISPOVAPDRNEO-QGZVFWFLSA-N 338.455 2.735 0 50 EFAA CN1CCC[C@H](CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)[C@H]1c1ccccc1 245344087 XIOXWQWCUUAPLK-FVVUREQNSA-N 343.471 2.689 0 50 EFAA COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 514346 LCHBHOKMVLILAZ-INIZCTEOSA-N 340.423 2.811 0 50 EFAA CCOP(=O)(OCC)[C@@H](NC(=O)OC)C(=O)c1ccccc1 2682669 WDWBXHJCRBUCSS-CYBMUJFWSA-N 329.289 2.818 0 50 EFAA NC(=O)c1cc(N2CCC[C@]3(CCc4c[nH]nc43)C2)nc2ccccc12 2356158212 FNDTYZYIWHBZOF-FQEVSTJZSA-N 347.422 2.541 0 50 EFAA CN1CCN(C(=O)c2cccc(OCCOc3ccccc3)c2)CC1 6746865 LKPGOXLKKWZLRX-UHFFFAOYSA-N 340.423 2.532 0 50 EFAA CCSc1ncc(Cl)c(C(=O)Nc2nnc(CC)s2)n1 6810483 TUGMBKUJMLLUBP-UHFFFAOYSA-N 329.838 2.908 0 50 EFAA COCc1noc(CNC(=O)c2cc(C)nc3c(C)c(C)ccc23)n1 55271541 DEJLGOSRLMUAEM-UHFFFAOYSA-N 340.383 2.619 0 50 EFAA Fc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 10312408 NBPRQIUWRULLJW-UHFFFAOYSA-N 327.344 2.966 0 50 EFAA Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1C 8207409 LOTRNRZQCUKZCH-UHFFFAOYSA-N 332.425 2.611 0 50 EFAA Cc1ocnc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225517342 UMMHFLOJEMJQLQ-CHWSQXEVSA-N 340.301 2.950 0 50 EFAA COc1ccccc1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225683116 LWETUNFBWJDGET-IRXDYDNUSA-N 329.371 2.711 0 50 EFAA O[C@@H](COc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 20294028 YFIBQIOYSRTVMO-GOSISDBHSA-N 346.858 2.902 0 50 EFAA Cc1cc(Br)c(S(=O)(=O)n2ccnc2)cc1Cl 54363140 OEHUDFKGUYLBSI-UHFFFAOYSA-N 335.610 2.844 0 50 EFAA COC[C@@H](NC(=O)c1oc2cc(OC)ccc2c1C)c1ccnn1C 65371820 LDZVZSANMQMNBF-CQSZACIVSA-N 343.383 2.601 0 50 EFAA O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(Cl)cn1 118942146 VSPRGIKLQSDUSR-UHFFFAOYSA-N 343.774 2.658 0 50 EFAA O=C(O)C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 249150 PKPITNALFNRYTK-RYUDHWBXSA-N 331.290 2.914 0 50 EFAA O=C1CN(Cc2ccccc2OCc2c(F)cccc2Cl)CCN1 215908823 MAJNXODGEPTOOZ-UHFFFAOYSA-N 348.805 2.990 0 50 EFAA COc1ccc(CCNC(=O)c2cn(C3CCCCC3)nn2)cc1 12302970 JTUBEFCAUJGWQN-UHFFFAOYSA-N 328.416 2.764 0 50 EFAA CN(C)c1nccnc1-c1cc(O)cc(CC[C@H]2CCCCN2)c1 71721559 WPZNNVPZUHTIIU-MRXNPFEDSA-N 326.444 2.990 0 50 EFAA CCN(Cc1ccccc1)C(=O)CCN1CCO[C@H](C(F)(F)F)C1 71523647 JORHHLYCVNMJOO-HNNXBMFYSA-N 344.377 2.688 0 50 EFAA Cc1ccccc1NC(=O)c1n[nH]cc1I 5490955 SJBGMWLBKNDSJI-UHFFFAOYSA-N 327.125 2.575 0 50 EFAA CC1(C)[C@H](NC(=O)NCCCn2cnc3ccccc32)[C@H]2CCO[C@H]21 230136148 LWTBBDDYRKVSKV-KBRIMQKVSA-N 342.443 2.539 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642848 YNUYQLRVYFMWKU-KANFNMMFSA-N 345.487 2.738 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(N(C)C)cc1 219064523 IJQBZAPTDLQXJV-MSOLQXFVSA-N 332.444 2.623 0 50 EFAA Cc1ccc(Cl)c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 253415797 WMPQKTVWYUDNOI-JTQLQIEISA-N 336.779 2.736 0 50 EFAA Cc1sc(Br)nc1C(=O)NCCCOCC1CC1 253433552 YGQSTYSFBWZVPK-UHFFFAOYSA-N 333.251 2.761 0 50 EFAA CC(C)(C)c1cnc(CN[C@@H]2CCCN(c3ncccn3)C2)s1 253425475 CYWUOCPGXATBLM-CYBMUJFWSA-N 331.489 2.989 0 50 EFAA OC[C@@]1(O)CCCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1 72430647 AWJOITPVXCNZEI-OAQYLSRUSA-N 349.434 2.616 0 50 EFAA NC(=O)[C@H]1CCCCN1C(=O)CCn1ccc2cc(Cl)ccc21 151910120 YIIPFSSNLZZCNJ-OAHLLOKOSA-N 333.819 2.551 0 50 EFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)ncc1Br 359296883 ITMKUKKQRGFUMZ-BNOWGMLFSA-N 341.249 2.519 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@H](C(=O)O)c1ccc(Br)cc1 362276461 GLPQZIIBUGSAFI-LBPRGKRZSA-N 337.173 2.641 0 50 EFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(-c2ccccc2)ns1 124975908 RYIJIGLNTUXDSJ-LLVKDONJSA-N 336.438 2.573 0 50 EFAA Cc1cccc(/C=C/C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 154794500 TWJFITFDOHMNTD-GHOSXJJBSA-N 339.439 2.714 0 50 EFAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CCC(C)(C)O)cc1)CC2 72421496 FGBATIXWORBPSU-ZWKOTPCHSA-N 330.472 2.699 0 50 EFAA O=C(O)[C@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1 238101879 BZVPXPZDVCXKGO-CQSZACIVSA-N 336.388 2.910 0 50 EFAA O=C(CCc1cccnc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72133387 NNNWHKZUHJGFEP-NRFANRHFSA-N 349.478 2.716 0 50 EFAA CC(C)c1nccc(CN2CCN(c3ncnc4ccccc34)CC2)n1 72151655 CRWRQFVLLLPIMD-UHFFFAOYSA-N 348.454 2.865 0 50 EFAA CCc1ccccc1CC(=O)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 263164724 VSTPAJPCJIWULR-IBGZPJMESA-N 339.391 2.669 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)c1 130216104 VUYZFXRIKUJBNQ-GOSISDBHSA-N 326.396 2.921 0 50 EFAA O=C(CCC(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1)c1ccccc1 262972309 KABJUKQVCKUOKG-OAHLLOKOSA-N 343.301 2.515 0 50 EFAA Cc1noc(C2CCN(C(=O)NC[C@@H]3CCc4ccccc43)CC2)n1 171909405 LZDZIXWUUGOUBP-INIZCTEOSA-N 340.427 2.997 0 50 EFAA Cc1c[nH]nc1CN1CCC2(CC1)C[C@H]2c1nnc2n1CCCCC2 378137886 SYQKLAZBOMPYBR-HNNXBMFYSA-N 340.475 2.806 0 50 EFAA C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1C 283943908 QWRYXVQPZCLRFF-VDERGJSUSA-N 335.469 2.889 0 50 EFAA Cc1cc(N2CC[C@H](Oc3cccnc3)C2)nc(-c2ccncc2)n1 131792723 WLSFQQFYLAJJFN-KRWDZBQOSA-N 333.395 2.900 0 50 EFAA CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCO[C@H]1c1nccn1C 284391928 AEPVDFCNULKDEO-UKRRQHHQSA-N 333.819 2.810 0 50 EFAA COc1csc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c1 176733293 NBPJSQHTHDIKEN-UHFFFAOYSA-N 349.437 2.926 0 50 EFAA Cn1ncc(N2CC[C@@H](CNC3CC(C)(C)CC(C)(C)C3)C2)cc1=O 82120673 WXXPWOVOKWXJDR-HNNXBMFYSA-N 346.519 2.801 0 50 EFAA COC[C@@H]1CN(C(=O)c2cccc3ccc(C)nc23)CC(C)(C)O1 285653663 XWDXIWGGTIKCNG-HNNXBMFYSA-N 328.412 2.809 0 50 EFAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc(O)nc2ccccc12 229998719 JJMJOHPGKFUBRV-KDOFPFPSSA-N 339.439 2.935 0 50 EFAA CC[C@H](Cn1ccnc1)NC(=O)N1CCOc2ccc(Cl)cc2C1 426409169 BMGLDEUVTMPZOZ-OAHLLOKOSA-N 348.834 2.919 0 50 EFAA COC(=O)c1ccc2ccn(CC[C@@H]3CCCCN3C)c(=O)c2c1 95366797 QIOAFVVNFYXPSC-INIZCTEOSA-N 328.412 2.663 0 50 EFAA CCc1nc(N)nc(N2CCN(c3cccc(Cl)c3)CC2)c1C 91586532 VSSSYYQAYHADKN-UHFFFAOYSA-N 331.851 2.910 0 50 EFAA CCOCCC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91657406 PUUUOAXFXRGPJO-LJQANCHMSA-N 336.476 2.587 0 50 EFAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 230213647 DEIAKROIOIRXOO-ZBEGNZNMSA-N 347.463 2.608 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 91646012 XZBHHMALEQUJDZ-LJQANCHMSA-N 331.412 2.519 0 50 EFAA Cc1nc(NC[C@H]2CC(=O)N(C)c3ccccc32)c2nc(C)oc2n1 91943186 DYQKDELWNPMQHA-GFCCVEGCSA-N 337.383 2.797 0 50 EFAA COc1cc2c(cc1C(=O)N1CCC[C@@H](c3ncc[nH]3)C1)CCC2 95526076 GDRGESASDDECKT-OAHLLOKOSA-N 325.412 2.927 0 50 EFAA CC(C)(C)c1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)n[nH]1 95378866 PSCPJCVXVMXZEN-OXQOHEQNSA-N 341.455 2.678 0 50 EFAA Cn1cnnc1SCc1nc(C2CCCC2)nn1CC(F)(F)F 96161592 JCAJJSSTSCJYAV-UHFFFAOYSA-N 346.382 2.919 0 50 EFAA Cc1c(C(=O)NC[C@@H](C)CN)nnn1-c1ccc(-c2ccccc2)cc1 237408645 CSMAVDPRECGIBF-AWEZNQCLSA-N 349.438 2.567 0 50 EFAA Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2 253599062 ZKHDDQHQOAJQKG-IVMMDQJWSA-N 327.428 2.972 0 50 EFAA CN(CCC(=O)Nc1ccsc1C(=O)O)C1Cc2ccccc2C1 252510040 ZAOOEJGNOUMSSD-UHFFFAOYSA-N 344.436 2.874 0 50 EFAA COc1cc(C)ccc1OCC(=O)N1C[C@H](C(=O)O)c2ccccc21 299742800 KMUOZLLGIQRBEZ-AWEZNQCLSA-N 341.363 2.597 0 50 EFAA COc1ccc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)c(OC)c1 299745621 RLBHGQNKPASKFX-FUHWJXTLSA-N 342.395 2.701 0 50 EFAA O=C(NCCc1ccc2c(c1)OCCO2)N1CCc2c(F)cccc21 184407903 KOXOCPHEGUEOFA-UHFFFAOYSA-N 342.370 2.912 0 50 EFAA Cc1csc(S(=O)(=O)N2CCCC3(CCNCC3)CC2)c1 534651201 BDJKMICXJYFKQV-UHFFFAOYSA-N 328.503 2.601 0 50 EFAA Cc1nc(C)c(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)s1 184732689 MGFBNHHSDOWVFV-INIZCTEOSA-N 333.432 2.881 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O 36579982 RACJZOSPZFRWNM-BDJLRTHQSA-N 329.400 2.735 0 50 EFAA biogenic CN(C(=O)Nc1ccccc1Cc1ccccc1)[C@H]1COC[C@@H]1O 299787937 UAVJHNHIHWGRJY-ROUUACIJSA-N 326.396 2.501 0 50 EFAA Cc1cccc(N2C[C@@H](NC(=O)c3cccn3C(C)C)CC2=O)c1 584893026 IEOLOOSZDVDKPO-HNNXBMFYSA-N 325.412 2.913 0 50 EFAA C[C@H]1C[C@H](C(=O)N2CCCc3nc(Br)ccc32)CO1 1328640565 VKHNCGZFMYJAKF-UWVGGRQHSA-N 325.206 2.548 0 50 EFAA COc1ccc(Cl)c2c1N(S(=O)(=O)Cc1ccno1)CCC2 1463027319 UALUGVNPKVNJOE-UHFFFAOYSA-N 342.804 2.619 0 50 EFAA O=C(Nc1nc(-c2cccs2)ns1)[C@@H]1CCn2cncc2C1 408513893 GMNOBTJGTMNNFO-SECBINFHSA-N 331.426 2.664 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)N1CC[C@@H](Oc2ccccn2)C1 268796287 YENHRZZWGQRXAZ-SJLPKXTDSA-N 338.407 2.765 0 50 EFAA C[C@H](O)[C@H]1CCN(C(=O)Nc2ccc(Br)c(F)c2)C1 273310704 XRQVIJNLOQRLOE-IUCAKERBSA-N 331.185 2.823 0 50 EFAA CC1(CNC(=O)CCC(=O)c2ccc(Cl)s2)OCCCO1 170612281 BFXWUCULDWSDOB-UHFFFAOYSA-N 331.821 2.634 0 50 EFAA C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nc(C(=O)O)cs2)o1 170643353 IXZCXUNSMHHWEP-DREQKGALSA-N 332.381 2.887 0 50 EFAA Cc1cc([C@@H]2CCN(c3nc(O)c4c[nH]nc4n3)C2)c(O)cc1Cl 664526151 UNLIGWJEVZEHSB-SECBINFHSA-N 345.790 2.720 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)c1csc(C(F)(F)F)n1 187890009 FBVVWIMIYYXEMQ-UHFFFAOYSA-N 330.287 2.821 0 50 EFAA CCN(Cc1cc(Br)ccc1F)[C@H](C)c1nnnn1C 188965888 RIOYMVCDQHITQD-SECBINFHSA-N 342.216 2.695 0 50 EFAA Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccnc(C)c3)C2=O)cc1 192385395 RDWFUWYGBCTFEO-QGZVFWFLSA-N 338.411 2.621 0 50 EFAA Cc1ccc(NC(=O)Nc2ccn(C)n2)cc1C(=O)N(C)C(C)C 193747710 PFFXLRLHJOAOND-UHFFFAOYSA-N 329.404 2.853 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)nc1 193816912 MGSYIZHEBHQWGL-GFCCVEGCSA-N 331.416 2.698 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc2ncsc2c1 1529133700 WGKLMHLLCFKOPH-ZBFHGGJFSA-N 339.420 2.679 0 50 EFAA COc1cccc2c1C1(CCN(c3ccc(C)nn3)CC1)OCC2 1704339834 NJVBLEPYUBRXEN-UHFFFAOYSA-N 325.412 2.862 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc(=O)n3ccc(C)cc3n1)C2 1704297505 AIAIZKGPQIYLAE-YLJYHZDGSA-N 341.455 2.784 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCCc1ccc(Cl)cc1 1704311665 PARICNKKZDOCNZ-UHFFFAOYSA-N 348.878 2.976 0 50 EFAA O=C1CC[C@H](CCNCc2cccnc2)N1Cc1ccccc1F 12134900 DNBGCZOFTVGQRW-QGZVFWFLSA-N 327.403 2.892 0 50 EFAA CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cccs2)CC3)CC1 12279364 MXKFQWGKBCVPKD-KRWDZBQOSA-N 347.528 2.514 0 50 EFAA O=C(Cc1ccc(F)cc1)NCc1ccccc1CN1CCOCC1 12974165 ORHXUHQDGSDDOX-UHFFFAOYSA-N 342.414 2.517 0 50 EFAA O=c1c2c(nc3n1C[C@@H](CO)S3)-c1ccccc1CC21CCCC1 15746520 LIJZPRPOMNPSOR-ZDUSSCGKSA-N 340.448 2.745 0 50 EFAA O=C(NC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19345773 KTALZMGWXVZKGI-UHFFFAOYSA-N 345.443 2.575 0 50 EFAA biogenic c1nc(NCCN2CCOCC2)c2c3c(sc2n1)CCCCC3 19900196 AIZFURKCXXCIDT-UHFFFAOYSA-N 332.473 2.704 0 50 EFAA Cn1nc(-c2nc(-c3ccccn3)nn2[C@H]2CCOC2)cc1C1CC1 1857681088 XROHDWSELXKCBQ-ZDUSSCGKSA-N 336.399 2.579 0 50 EFAA Cc1ccc(C)c(OC2CCN(C(=O)c3csc(CN)n3)CC2)c1 237667878 UXHDJWJXWZIXOU-UHFFFAOYSA-N 345.468 2.902 0 50 EFAA C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc(Cl)cc1F 408425956 IFGCMTBKGMUZHA-NRUUGDAUSA-N 335.828 2.649 0 50 EFAA C[C@H](c1ccncc1)N(C)C(=O)c1ccc(N2CCOC2=O)cc1 125529600 MTNVTYAVFGQINL-CYBMUJFWSA-N 325.368 2.871 0 50 EFAA CCn1c(O)nc2cc(C(=O)N[C@H](C)c3c(C)noc3C)ccc21 668752163 XGIZRUUHJVMKEM-SECBINFHSA-N 328.372 2.858 0 50 EFAA O=C(Cc1cc(Br)ccc1F)NCc1ccc(O)nc1 151298871 LGPUVCCGWKPGBW-UHFFFAOYSA-N 339.164 2.548 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)ccc1O 151887218 LOLXRIJKKBPTSQ-KRWDZBQOSA-N 338.407 2.873 0 50 EFAA CCc1c(C(=O)N2C[C@H](O)C3(CC3)C2)cnn1-c1cccc(Cl)c1 375285834 FZLWQGDJVCTGAC-INIZCTEOSA-N 345.830 2.685 0 50 EFAA Cc1cccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1Cl 262840859 CDULMFMZZVJNMU-CYBMUJFWSA-N 325.792 2.506 0 50 EFAA CNC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cn1 264060239 CNYPAEUIIGBUMI-ZDUSSCGKSA-N 341.411 2.719 0 50 EFAA Cc1cccc(Cn2cc(CC(C)(C)CO)nn2)c1Br 900608621 YRCGKSLZEGQFHX-UHFFFAOYSA-N 338.249 2.958 0 50 EFAA Cn1cc(CN2CC[C@H](CC(N)=O)C2)c(-c2cc3ccccc3o2)n1 809785126 OXSHHDPRDSGLBH-CYBMUJFWSA-N 338.411 2.531 0 50 EFAA Cn1cc(-c2ccc(C(=O)Nc3cn(C)nc3-c3ccccn3)o2)cn1 1127105464 OYDRSPRLBZMROZ-UHFFFAOYSA-N 348.366 2.728 0 50 EFAA C[C@@H]1CN(CCOc2cccc(C(=O)O)c2)CC[C@H](C(F)(F)F)O1 872167975 PNSAMZNGPQRJCN-BXUZGUMPSA-N 347.333 2.805 0 50 EFAA O=C(O)c1ccccc1CNC(=O)N1CCC[C@H]1c1ccncc1 874409433 KYWVOFJIQREOQU-INIZCTEOSA-N 325.368 2.827 0 50 EFAA Cn1cc([C@@H]2CCCN2c2cnc(C(=O)OC(C)(C)C)cn2)cn1 952876091 QKJTYZSKBBWSBR-AWEZNQCLSA-N 329.404 2.507 0 50 EFAA CN(CCCN1CCC(Cc2ccccc2)CC1)Cc1nncn1C 952993416 XHXFAICKHLYHNX-UHFFFAOYSA-N 341.503 2.592 0 50 EFAA C[C@H]1CN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)CC(C)(C)O1 876618310 PZLJRCZOJVKLRD-GXFFZTMASA-N 330.350 2.731 0 50 EFAA O=C(CCCOc1cccnc1)N=c1ccn(Cc2ccsc2)[nH]1 1875260767 DIQRZUBRCBNTFA-UHFFFAOYSA-N 342.424 2.608 0 50 EFAA COCc1c(C(=O)OCc2cc(O)nc(O)n2)sc2ccccc12 1875253264 NHMCDNNWSHTXFU-UHFFFAOYSA-N 346.364 2.606 0 50 EFAA COc1ccccc1[C@@H](C)CNC(=O)[C@@H]1NCCOc2ccccc21 1875277250 MHAOGQSVQYJPFN-IFXJQAMLSA-N 340.423 2.638 0 50 EFAA COCC1(C2CC2)CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875311255 RSFQOIQPBORRGV-UHFFFAOYSA-N 343.349 2.735 0 50 EFAA CC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](c3ccccc3C)[C@H]2C1)C1CCCC1 1875313302 OKBNLYRHEHCGKT-NMLBUPMWSA-N 340.467 2.862 0 50 EFAA C[C@@]1(c2ccccc2)CCN(C(=O)[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1875392312 QHCRQMYXYFVQMZ-BRWVUGGUSA-N 338.373 2.719 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3cnc4cccnn34)c2)n1 1875322854 KOORSRCUYLNFTH-UHFFFAOYSA-N 346.394 2.843 0 50 EFAA O=S(=O)(CCC1CCCCC1)NCc1ncc(C(F)(F)F)[nH]1 1775984923 SRGLFUUYTGGZRH-UHFFFAOYSA-N 339.383 2.818 0 50 EFAA CCCC[C@H](CC)CC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 1775992089 PHCNKTZKZKJERT-LSDHHAIUSA-N 336.480 2.620 0 50 EFAA CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc4nc[nH]c4c3)ccc21 2325725447 WXKBMHYCMQHOQO-UHFFFAOYSA-N 347.378 2.853 0 50 EFAA COC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 124039 XIVFYJKKUAPOMV-UHFFFAOYSA-N 345.351 2.751 0 50 EFAA biogenic CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 1074726 FFAVPIHXAIIIGU-UHFFFAOYSA-N 344.436 2.530 0 50 EFAA CCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1OC 2554743 ACJRVBLDOQUFJK-UHFFFAOYSA-N 331.368 2.604 0 50 EFAA O=C(COc1ccc(Cl)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356157701 RJVITEJBHYXBOA-GOSISDBHSA-N 345.830 2.949 0 50 EFAA CC[C@@]1(C(=O)c2ccccc2)C(=O)N=C(O)N(c2ccccc2)C1=O 2900954 WCMUFBCNVBVYPG-LJQANCHMSA-N 336.347 2.753 0 50 EFAA CCC[C@@]1(CO)CN(Cc2cnn(-c3cccc(C)c3)c2)CC[C@H]1O 2356165926 QYVZDLJEKIXDAI-UXHICEINSA-N 343.471 2.526 0 50 EFAA CNCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 3683829 SXCMUTLJKUDEAC-UHFFFAOYSA-N 339.395 2.848 0 50 EFAA CCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C 4839480 SQAPIESIBGZISN-UHFFFAOYSA-N 334.445 2.897 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 7608802 SJMOFMAFTDZCFF-UHFFFAOYSA-N 332.350 2.936 0 50 EFAA Cn1cc(N2CC[C@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cn1 110138743 KIJIJRJUYUTAET-NSHDSACASA-N 342.346 2.732 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225542124 LXJKNBOYOAKLRK-RHSMWYFYSA-N 346.402 2.816 0 50 EFAA CC[C@@H]1CN(CC(=O)NC2CCOCC2)CC[C@H]1c1ccccc1 245408711 IMZCAWSSRIXGEE-VQIMIIECSA-N 330.472 2.797 0 50 EFAA O=C(NC[C@H]1COCCO1)Nc1ccc(Cl)cc1C(F)(F)F 56650740 WSYXCILQRBLGIS-VIFPVBQESA-N 338.713 2.896 0 50 EFAA C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cnn(C)c1 118944682 GZIPDBUANKUQKG-GFCCVEGCSA-N 326.425 2.964 0 50 EFAA CN(C)c1noc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 249580471 NGHKPQHCDRSJRN-ZIAGYGMSSA-N 334.420 2.597 0 50 EFAA Cc1nc(N(C)C)nc(N(C)Cc2cc(-c3ccncc3)no2)c1C 65404893 FWFIVJUBMKRLPX-UHFFFAOYSA-N 338.415 2.846 0 50 EFAA Cc1[nH]cnc1CN1CCC[C@H](CCNC(=O)NC2CCCC2)C1 67895248 AASOUPRUADELER-OAHLLOKOSA-N 333.480 2.562 0 50 EFAA Cc1cc(CN2CC[C@H](CNC(=O)c3ccc(F)cc3F)C2)on1 67908895 GFMAECOMYWZUGQ-GFCCVEGCSA-N 335.354 2.513 0 50 EFAA O=S(=O)(c1c(F)cccc1Cl)N1CC[C@H]2OCCC[C@H]2C1 248618262 BGVPKIIKJBDYFG-GXFFZTMASA-N 333.812 2.669 0 50 EFAA Cc1nn(-c2nnn[nH]2)c(C)c1-c1cccc([C@H](C)N2CCCC2)c1 67649963 NYNALZOTSDHTSU-ZDUSSCGKSA-N 337.431 2.826 0 50 EFAA Cc1ncsc1CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 351593776 OUCZLUBYIQOOJL-GOSISDBHSA-N 331.485 2.520 0 50 EFAA O=C1NCCc2cc(OCc3noc(-c4cccs4)n3)ccc21 351874747 CXVAEMHMPGDMJS-UHFFFAOYSA-N 327.365 2.663 0 50 EFAA Cn1ccc(CC(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 12050741 YAJPMGDOHZHKLK-QGZVFWFLSA-N 347.422 2.613 0 50 EFAA C[C@H](OCCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1ccccc1 252677070 YANYYZGPZCEOHF-UKNAQKAOSA-N 344.455 2.973 0 50 EFAA Cc1cc(C(=O)O)ccc1S(=O)(=O)N(C)CCc1cccs1 320700835 OCWDGVWWAZTSQI-UHFFFAOYSA-N 339.438 2.618 0 50 EFAA O=C(C1CC1)N1CCC[C@H](C(=O)N2CCc3ccc(Cl)cc3C2)C1 121936925 NVPHIARUJZZRCD-HNNXBMFYSA-N 346.858 2.873 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cnns2)C1 171012197 XUHYSGHDDVELJY-NSHDSACASA-N 336.848 2.756 0 50 EFAA Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 253415798 WMPQKTVWYUDNOI-SNVBAGLBSA-N 336.779 2.736 0 50 EFAA CCNC(=O)C1CN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 151724132 MKFJVFGIAHOHOY-UHFFFAOYSA-N 343.349 2.781 0 50 EFAA Cc1ncsc1CCN(C)C(=O)C1(N(C)C)Cc2ccccc2C1 72120703 VITZNAYTCOFSQR-UHFFFAOYSA-N 343.496 2.552 0 50 EFAA CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)c(SC)s2)C1 155154390 YIDKUTZSBMXVAG-SNVBAGLBSA-N 327.475 2.761 0 50 EFAA CN1CCN(Cc2cn(-c3ccccc3)nn2)[C@@H](c2ccccc2)C1 216483749 MLVHOFIFZUZYHT-HXUWFJFHSA-N 333.439 2.756 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CCC(OCc2cccnc2)CC1 77406571 NANPPXNMANPOAM-UHFFFAOYSA-N 340.423 2.928 0 50 EFAA COc1ncc(CN2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)c(C)n1 368054810 MFIYAEWDEOZCRS-RDJZCZTQSA-N 347.846 2.655 0 50 EFAA C[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)c2ccccc2N(C)C1=O 369625609 LZZKKAQVWLLUMG-ZDUSSCGKSA-N 348.406 2.751 0 50 EFAA COc1ccc(C)cc1C1(CNCC2=CCCOC2)CCOCC1 126767019 MXVNOCLEIPOJGB-UHFFFAOYSA-N 331.456 2.988 0 50 EFAA Fc1ccc([C@H]2CN(c3cc(N4CCCC4)ncn3)CCO2)cc1 171675664 BJYADDPQNVKYDC-MRXNPFEDSA-N 328.391 2.794 0 50 EFAA O=C(N1CCOCC1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72143788 ZVXTYTFVCLMYDA-OAHLLOKOSA-N 332.379 2.681 0 50 EFAA Cn1ccnc1CN1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 215334383 HHWJEDDAZUMZED-KRWDZBQOSA-N 344.459 2.573 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1CCC[C@]2(CNC(=O)O2)C1 216323266 NCWMYPYQDDOFNX-INIZCTEOSA-N 333.413 2.786 0 50 EFAA CCOc1c(Cl)cc(CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1OC 373409531 UNEGYPSAPXTTSO-YVEFUNNKSA-N 339.819 2.790 0 50 EFAA COc1cc(CNC[C@H]2CCCN2C)ccc1OCC(F)(F)F 237278214 ZWRAQBNBVRSYKU-CYBMUJFWSA-N 332.366 2.820 0 50 EFAA C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN)o2)CCN1Cc1ccccc1 237565891 QMTAHJVYXWMNOR-WBVHZDCISA-N 341.455 2.863 0 50 EFAA Cc1ccc2c(CC(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c[nH]c2c1 237869090 IPFZWVGLMJXGHM-HNNXBMFYSA-N 344.411 2.501 0 50 EFAA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1ccc(C)o1 240569381 HADMMAGSYBYWTN-GDBMZVCRSA-N 328.478 2.516 0 50 EFAA Cc1noc(C(C)(C)NC(=O)Nc2cc(-c3ccoc3C)on2)n1 241277572 LHEYSZFFYNSGGR-UHFFFAOYSA-N 331.332 2.991 0 50 EFAA CN(C)S(=O)(=O)c1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)o1 242147528 WSLDFWRPUBMRRL-KBPBESRZSA-N 326.462 2.542 0 50 EFAA CCn1nccc1CCN1CCN(c2nc3cc(C)ccc3o2)CC1 284223364 BBETXXUSVHNLKJ-UHFFFAOYSA-N 339.443 2.717 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@H](CO)C1 174702965 YKXMOVXHDBLWMU-KSSFIOAISA-N 328.387 2.820 0 50 EFAA COc1ccc(C(=O)NCc2cnc3cnccn23)c2ccccc12 426623373 VYSXMQXKLDQGKU-UHFFFAOYSA-N 332.363 2.821 0 50 EFAA COc1cc(OC)c(CN(C)[C@@H]2CCOC(C)(C)C2)c(C(=O)O)c1 97632057 HPFILXWMMYGNIS-GFCCVEGCSA-N 337.416 2.791 0 50 EFAA CN1CCC(Cc2noc(Cn3ccnc3-c3ccccc3)n2)CC1 96161928 ZAOYMCJPLSIVAZ-UHFFFAOYSA-N 337.427 2.866 0 50 EFAA COCC[C@]1(CO)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91444634 ANSKJOSIUJJOFX-OAHLLOKOSA-N 332.366 2.711 0 50 EFAA O=C(Nc1cccc(SC(F)(F)F)c1)N1CCOC[C@H](O)C1 95510755 SGOYDUWLOKAPNX-SNVBAGLBSA-N 336.335 2.524 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1[nH]c3ccc(C)cc3c1C)C2 97619051 UPUNFZSRBJQNPZ-JKSUJKDBSA-N 339.439 2.868 0 50 EFAA Cc1ccc(OCCCN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(C)c1 91435153 GRPUEELHLAIQJD-INIZCTEOSA-N 344.455 2.542 0 50 EFAA CNC(=O)c1cccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 97773243 PQMXXYINHTULRM-CQSZACIVSA-N 325.412 2.501 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C1CCN(c3ccccc3Cl)CC1)C2 95378110 YOWAXZPSYKTDNW-GOEBONIOSA-N 347.890 2.861 0 50 EFAA C[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN(C2CCC2)C1 292048433 ASORCTHXQFKLRV-CQSZACIVSA-N 325.460 2.518 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccnc(OC)c3)C2)c1 91255614 LMVGHDRGYZQWOB-CQSZACIVSA-N 342.395 2.737 0 50 EFAA C[C@@H](NC(=O)C1CCN(C2CCCC2)CC1)[C@@H](O)c1ccc(O)cc1 97307785 YZBWQMHTXNZIIN-AUUYWEPGSA-N 346.471 2.585 0 50 EFAA CN(Cc1cccc(C(F)(F)F)c1)[C@H](C(=O)O)c1ccc(N)nc1 95388321 LOVQILUJSTUGHP-AWEZNQCLSA-N 339.317 2.940 0 50 EFAA CNc1ncc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)cn1 97088083 OYPVFLOTRREYPB-UHFFFAOYSA-N 328.269 2.606 0 50 EFAA C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cncc(Cl)c1Cl)CS2 180065279 QCPVGNSHPCVAFO-ZANVPECISA-N 346.239 2.781 0 50 EFAA CSc1ccc2c(c1)CCN(C(=O)Cc1c(C)nc(C)nc1O)C2 253537119 YJNHOOUFZCSUJM-UHFFFAOYSA-N 343.452 2.648 0 50 EFAA C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(Oc2ccccc2)CC1 184285896 ALUJDGHGPCGYSF-NSHDSACASA-N 337.363 2.810 0 50 EFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1nnc(O)c2ccccc12 828209851 BDPSMSUFBLURID-ZDUSSCGKSA-N 348.284 2.764 0 50 EFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565528325 QQNGTSZFJULJFN-APWZRJJASA-N 339.414 2.957 0 50 EFAA CCc1nc(N(C)Cc2nc([C@@H](C)OC)no2)c2ccsc2n1 270289057 NTRSNWBJGSTLAH-SECBINFHSA-N 333.417 2.981 0 50 EFAA C[C@@H](CC(=O)Nc1cccc(-c2ccn[nH]2)c1)N1CCCCC1=O 192153663 GXSBYARYAQYUGX-ZDUSSCGKSA-N 326.400 2.806 0 50 EFAA O=C(C1CCN(c2cnccn2)CC1)N1CCc2c(F)cc(F)cc21 192596931 KEZBTCPPBPLKLE-UHFFFAOYSA-N 344.365 2.561 0 50 EFAA C[C@H]1C[C@@H](NCc2noc(-c3cccc(Br)c3)n2)CO1 648029756 UPDZUAGDZVQBQL-JOYOIKCWSA-N 338.205 2.766 0 50 EFAA O=C(O)c1cccc(S(=O)(=O)NCc2cc3ccccc3o2)c1 193896548 GCFHSGVUAXONJR-UHFFFAOYSA-N 331.349 2.610 0 50 EFAA Cc1cc(C[C@H]2CN(C(=O)c3cc4ccccc4s3)C[C@@H]2O)on1 1615739614 MSRVWWOYIBROAG-ZFWWWQNUSA-N 342.420 2.873 0 50 EFAA C[C@@H](Cc1cccs1)NC1CCN(C(=O)c2cccnc2)CC1 1506395078 BFVPXVNBKMBSOJ-AWEZNQCLSA-N 329.469 2.969 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccco1 309045 VRTGEWBBKXDKRF-VOTSOKGWSA-N 330.365 2.813 0 50 EFAA CCCc1cnc(C)nc1N1CCCN(C(=O)c2cscn2)CC1 1772808539 SSRZZZBUWVUYBB-UHFFFAOYSA-N 345.472 2.547 0 50 EFAA COC(=O)[C@H]1CCCCN1C(=O)c1ccc2nc(C3CC3)oc2c1 11873200 DLUABBRQDFJECI-CQSZACIVSA-N 328.368 2.873 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2nnc(S)n2-c2ccccc2)cc1 13055544 IHOZSXHHVCBSTN-UHFFFAOYSA-N 346.437 2.595 0 50 EFAA Cc1nc(-c2scc3c2CCCC3)n([C@@H]2CCS(=O)(=O)C2)n1 1857678423 XZUFIIHTYIXIGF-GFCCVEGCSA-N 337.470 2.553 0 50 EFAA CC(C)[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Cl 115833950 PLALNDVQCOIBFE-WBMJQRKESA-N 347.850 2.943 0 50 EFAA C[C@H](c1ccccn1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1O 330032122 IQRLLPRXMKOJAJ-GFCCVEGCSA-N 340.358 2.945 0 50 EFAA CCC1(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)CC1 263554791 YHIKVUAWBPRARZ-OAHLLOKOSA-N 344.411 2.895 0 50 EFAA Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1CO[C@H](CCC(=O)O)C1 901835130 KJNQPAHIOUUCSS-FGTMMUONSA-N 345.439 2.798 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H]1CCCO1 903944030 HKOLKZVPORUYSL-QWHCGFSZSA-N 339.819 2.808 0 50 EFAA CC1(C)CC[C@H](C(=O)N2CCCN(c3ccc(C(=O)O)cn3)CC2)C1 911307619 HXCMPQXDEGVVLE-AWEZNQCLSA-N 345.443 2.645 0 50 EFAA CCn1nncc1CN1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 931796401 KIDOABRMDSFDPP-KRWDZBQOSA-N 342.834 2.822 0 50 EFAA CCC(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 947273351 ZUEWYFKEEFRNOP-UHFFFAOYSA-N 325.412 2.813 0 50 EFAA O=C(O)CCc1ccccc1C(=O)NC[C@@H]1CCCc2cccnc21 1875286543 XUDZAKNEQUMYEE-INIZCTEOSA-N 338.407 2.949 0 50 EFAA COc1ccc(-c2ccncc2)cc1NC(=O)NOC(C)(C)CO 1875296536 CDQOLYJILUTYAC-UHFFFAOYSA-N 331.372 2.581 0 50 EFAA O=C(c1cn(CC(F)(F)F)cn1)N1CCC=C(c2cccnc2)C1 1875283720 BYOHBFBPZMBFCX-UHFFFAOYSA-N 336.317 2.770 0 50 EFAA COc1cc(CN2CCC[C@@H](c3nc(C(=O)O)cs3)C2)sn1 1875283543 WDTGVSMVRHUALJ-SECBINFHSA-N 339.442 2.686 0 50 EFAA C[C@@H]1Cc2cc(NS(=O)(=O)c3cnn(C(C)(C)C)c3)ccc2O1 1875281148 RGEIWXNZMMCEID-LLVKDONJSA-N 335.429 2.762 0 50 EFAA Cn1c(-c2noc(C[C@@H]3C[C@@H]4OCC[C@@H]4O3)n2)cc2ccccc21 1875306069 RLRUUPAGEQTEFI-RCBQFDQVSA-N 325.368 2.717 0 50 EFAA O[C@@H]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 1875329929 LLLYCDPDFDCZDJ-PEYYIBSZSA-N 347.850 2.646 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)[C@H]1CC(=O)C1(C)C 1875323961 FCUVEQHPAVMBLL-JFIYKMOQSA-N 343.423 2.525 0 50 EFAA COc1cc(Cl)ccc1CNC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886075684 VSUQNXPDLKFXAY-ZBFHGGJFSA-N 349.818 2.856 0 50 EFAA CN1CCC[C@@H]1c1cc(C(=O)NCCc2cc3ccccc3o2)n[nH]1 896509868 ZUHLOAYWTGYIQU-QGZVFWFLSA-N 338.411 2.895 0 50 EFAA Cn1cc(Cn2ccn3nc(C(C)(C)C)cc3c2=O)c(C(F)F)n1 1775990660 GTTKZKZTPXFNLK-UHFFFAOYSA-N 335.358 2.513 0 50 EFAA NC(=O)[C@H](NC(=O)c1ocnc1C(F)F)c1ccc2ccccc2c1 2325874243 FOMCJEUUBATPTO-GFCCVEGCSA-N 345.305 2.722 0 50 EFAA COc1cncc(/C=C/CCOC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 869735944 PWWAJDQYMXKWFS-FHHGHWCOSA-N 346.427 2.589 0 50 EFAA Oc1nncn1C1CCN(Cc2cnc3c(F)cccc3c2)CC1 894611855 WKNVJXLJUXTPGU-UHFFFAOYSA-N 327.363 2.508 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(O)cc1 171301 ZLMPVBUDVJRLTQ-HNNXBMFYSA-N 328.320 2.894 0 50 EFAA biogenic CCOC(=O)CCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O 304181 PGRFGTIRLTUVRF-UHFFFAOYSA-N 332.352 2.565 0 50 EFAA biogenic C/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 459067 CJKQKQQDUSCLEK-JLZUIIAYSA-N 336.434 2.838 0 50 EFAA O=S(=O)(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1 470265 AZVWANPKXSKYGG-UHFFFAOYSA-N 342.873 2.912 0 50 EFAA Cc1cc(OCC(=O)NC[C@@H]2CCCO2)c(C)cc1Br 1066496 FYLDKTODARKEBG-LBPRGKRZSA-N 342.233 2.740 0 50 EFAA Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 4739328 UJCGSKCRZAPYLB-UHFFFAOYSA-N 344.436 2.970 0 50 EFAA COc1cc(C(=O)O[C@@H](C)CN2CCCCC2)cc(OC)c1OC 4802793 WWXABXZDLSHTRK-ZDUSSCGKSA-N 337.416 2.744 0 50 EFAA CC[C@H](CO)NCc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 4840500 DTLJXMDJHIJUFG-QZTJIDSGSA-N 345.439 2.668 0 50 EFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCCCCC1 6493994 ZSYPPCPPKGWOFK-UHFFFAOYSA-N 343.452 2.932 0 50 EFAA O=C(O)c1ccccc1CN(Cc1ccccn1)C[C@H]1CCCO1 55270903 UVVPWOQLPKMWOW-QGZVFWFLSA-N 326.396 2.961 0 50 EFAA O=C(COc1ccccc1F)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225680212 MYVKCCIMVKYIST-HOCLYGCPSA-N 333.334 2.678 0 50 EFAA Cc1nccn1Cc1cccc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)c1 225624940 IKGHFMQIZWAHKI-GGPKGHCWSA-N 339.439 2.814 0 50 EFAA CCCN1CCC(CC(=O)N(Cc2ccccn2)[C@@H](CC)CO)CC1 55385450 LBSPYVGGPPLUTN-IBGZPJMESA-N 347.503 2.693 0 50 EFAA CC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1 20894244 TYQWRFFBMPMBAW-UHFFFAOYSA-N 336.351 2.906 0 50 EFAA CCc1nnc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)s1 23399166 MVQNAMGCXCWKCX-ZDUSSCGKSA-N 342.428 2.860 0 50 EFAA COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2ccccc2)cc1 20601469 ISYYUBGRJBZIEC-HXUWFJFHSA-N 338.451 2.991 0 50 EFAA O=C(c1ccc(NCCO)nc1)N1CCC[C@H](c2ccccc2)CC1 20999628 ZKLRBSXTPCOAKR-KRWDZBQOSA-N 339.439 2.896 0 50 EFAA Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 67339029 ORIIZPPBGLQZKV-UHFFFAOYSA-N 332.425 2.522 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)Nc2ccc(F)cc2)n1 67613361 PBRXZKSVIMIRGV-UHFFFAOYSA-N 332.383 2.590 0 50 EFAA CCc1ncc(C(=O)N2CCC(N(C)Cc3ccccc3)CC2)cn1 67740587 KGUWFDHKKRZSPU-UHFFFAOYSA-N 338.455 2.776 0 50 EFAA CCC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1 20254751 KCVSRPOLTUDCPH-KRWDZBQOSA-N 343.427 2.778 0 50 EFAA Cc1cc(F)ccc1CN1CCC([C@@H](C)N2CCN(C)CC2)CC1 77356346 DWXMFVGVFMQPEC-QGZVFWFLSA-N 333.495 2.982 0 50 EFAA COc1cc2c(cc1CN(Cc1cocn1)Cc1cocn1)OCO2 216163562 WXFADMRWNJERDY-UHFFFAOYSA-N 343.339 2.602 0 50 EFAA CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N(C)C2CC2)no1 252550857 SYXVQUZADUJVBQ-CQSZACIVSA-N 345.443 2.661 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1nccn1Cc1ccccc1 77421872 ANTXFTCZVVXSKU-GOSISDBHSA-N 340.471 2.764 0 50 EFAA CC[C@H](C)c1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)on1 328618943 FGPBEBMEFVLLOM-HUBLWGQQSA-N 332.404 2.572 0 50 EFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)C[C@@H](O)CO 71767454 UFZVNTHDCMDBKC-QGZVFWFLSA-N 326.396 2.588 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 375113193 ZAUBWKNZNTWJMI-OAHLLOKOSA-N 338.411 2.814 0 50 EFAA COc1cc(-c2noc([C@H]3CCCN3c3nccs3)n2)ccn1 125594920 DPGWGANADGJJHF-LLVKDONJSA-N 329.385 2.938 0 50 EFAA CCc1cc(N[C@@H]2c3ccccc3C[C@H]2NC(C)=O)n2nccc2n1 72473244 QUFVRUOUFOSJEU-VQIMIIECSA-N 335.411 2.506 0 50 EFAA CNc1nc(C)c(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)s1 77420017 DGUIJGVBBGFLOZ-ZDUSSCGKSA-N 333.461 2.551 0 50 EFAA CC(C)N(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCCc2cccnc21 370018439 INSPQCABGDMBFY-MRXNPFEDSA-N 325.412 2.709 0 50 EFAA COc1ccc(CN2CCCC[C@H]2CCN2CCN(C)CC2)c(F)c1 216374668 QFTRLQADWUJSKH-SFHVURJKSA-N 349.494 2.826 0 50 EFAA CC[C@H]1CN(C(=O)c2cccn2C)CCC(=O)N1Cc1ccccc1 72146590 HGDHBWJHGFCSKM-KRWDZBQOSA-N 339.439 2.678 0 50 EFAA Cc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccco3)cc2n1C 370552209 QBNXCSBVPVLSLN-INIZCTEOSA-N 325.368 2.688 0 50 EFAA O=C(CCc1cc(Cl)no1)N[C@H]1CC[C@H]1NC1CCCCC1 72135157 OQKOHKYKDXTGHY-KGLIPLIRSA-N 325.840 2.830 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N1CCc3sccc3C1)C2 76127550 SMBLVYUQYMDLFZ-CQSZACIVSA-N 329.421 2.893 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)c(C)c1 333298393 PRMDKXNUZBCIEG-QUCCMNQESA-N 344.499 2.899 0 50 EFAA CC[C@H](NC(=O)c1sc2cccc(F)c2c1COC)C(=O)O 236914689 DGFWJKZVPQRKAO-JTQLQIEISA-N 325.361 2.780 0 50 EFAA Cc1cc(C)nc(SCC(=O)N2CCOC[C@@H]2c2ccccc2)n1 377910551 OAUARXIZSPAYJL-MRXNPFEDSA-N 343.452 2.786 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3cnccn3)cc2)n1 77437594 IWACIZLJZFOTBF-ZDUSSCGKSA-N 335.411 2.640 0 50 EFAA O=C1NC[C@@H](COC(=O)c2occc2CSc2ccccc2)O1 495655491 VLBPNHYWDOCUFC-LBPRGKRZSA-N 333.365 2.837 0 50 EFAA O=C(Cc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222625020 BXFKFDXJUAROES-MOPGFXCFSA-N 343.398 2.859 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)c(C)n1C 222788596 SDMREAKVCSSJGV-NSHDSACASA-N 325.372 2.578 0 50 EFAA CC(C)Cn1cc(C(=O)OCc2cccnc2N2CCCC2)cn1 240412693 FNUKHKBBXFOFSB-UHFFFAOYSA-N 328.416 2.891 0 50 EFAA Cc1noc2ncnc(N3CCN(c4cncc5ccccc45)CC3)c12 240555876 GXZIORANQACXIE-UHFFFAOYSA-N 346.394 2.801 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 284804306 KSMAPDJBBBCKJS-VHSXEESVSA-N 337.725 2.581 0 50 EFAA O=C(c1cc(F)cc(Cl)c1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 220422931 FNJGNEQTNNTTMT-INIZCTEOSA-N 349.793 2.775 0 50 EFAA C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 132224810 SWKMAMUTXRUPMG-UFBFGSQYSA-N 337.725 2.581 0 50 EFAA CCn1nc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cc1C 82138899 MTTDBEDSNOLLLD-INIZCTEOSA-N 341.459 2.838 0 50 EFAA COCCN(C(=O)Nc1cc(OC)ccc1C)C1CCN(C)CC1 96162241 YQYUXIDMNPRLRR-UHFFFAOYSA-N 335.448 2.578 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)[C@H]2CC(=O)OC23CCCCC3)c1 97610225 LFZMRUHLHBIXGF-MRXNPFEDSA-N 330.428 2.923 0 50 EFAA O=C(NC1CCN(c2nccs2)CC1)N1CCCc2occc2C1 291496758 ISEVWKMLMWJJCV-UHFFFAOYSA-N 346.456 2.863 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)NCCc1nc(-c2cccnc2)no1 91988464 KVDDANLLPJCXRK-OAHLLOKOSA-N 348.406 2.910 0 50 EFAA COCCc1nc(CCN2C[C@@H]3CC[C@H]2C3)n(Cc2ccccc2)n1 95517879 OFUZODFBTMGKKW-MSOLQXFVSA-N 340.471 2.542 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)CCc1scnc1C)C2 95507067 AQJUYNNFAWQNTA-ZDUSSCGKSA-N 346.452 2.760 0 50 EFAA COc1cc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)ccn1 95503748 CBXYVRISGROWSX-UHFFFAOYSA-N 340.427 2.717 0 50 EFAA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccon1 180468213 FUUGTMQPLRZDOE-JWTNVVGKSA-N 325.412 2.942 0 50 EFAA Nc1cc2ccccc2cc1C(=O)N1CCC[C@H](Cn2cncn2)C1 238070431 MMYDKWOXBSRJAE-AWEZNQCLSA-N 335.411 2.566 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 95366635 XOZQGBIEGIHQNN-QGZVFWFLSA-N 343.475 2.756 0 50 EFAA COCC[C@@]1(CO)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 91626304 UWIUQWSGKOVIMX-IBGZPJMESA-N 335.492 2.753 0 50 EFAA CN1CC[C@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 245343916 WLAKFWOHVRZTBK-IAQYHMDHSA-N 337.782 2.890 0 50 EFAA C[C@@H](NC(=O)c1ccn(CCc2ccccc2)n1)C1CCOCC1 294833688 DTDYZOIVUPNFDZ-OAHLLOKOSA-N 327.428 2.671 0 50 EFAA O[C@H]1C[C@@H]([C@@H](Cc2ccncc2)Nc2ncnc3ccsc23)C1 244673851 HWRRJFWMGNNDGM-VNHYZAJKSA-N 326.425 2.880 0 50 EFAA Cc1nc(O)cc([C@H]2C[C@H](NC3CCN(Cc4ccco4)CC3)C2)n1 253535356 VFVWMQAXUNWSBO-KOMQPUFPSA-N 342.443 2.584 0 50 EFAA O=C(NCCn1ccnn1)C1(c2ccc(Cl)cc2)CCCCC1 534662657 UOAYXGYHHYLACM-UHFFFAOYSA-N 332.835 2.950 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)c1cnc(C)nc1O)CC(C)(C)O2 534588943 MSKZJFFHDUUXRP-CQSZACIVSA-N 327.384 2.831 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)N(C)CCc3noc(C4CC4)n3)ccc2O1 299759964 RQKMIKGXYYUOQR-LLVKDONJSA-N 342.399 2.977 0 50 EFAA O=C(N[C@H]1COC2(CCCCC2)C1)c1ccc(SCCO)cc1 299799164 RAOFIWTWHSEYNG-OAHLLOKOSA-N 335.469 2.993 0 50 EFAA C[C@@H](CS(C)(=O)=O)N1CCC(Oc2ccccc2Cl)CC1 821746077 VBNIRLCYVZJFFL-LBPRGKRZSA-N 331.865 2.616 0 50 EFAA C[C@@H](CN1CCN(C)CC1)NCCc1nc(-c2ccccc2)cs1 584885747 KFPILLUOIJUVFR-INIZCTEOSA-N 344.528 2.578 0 50 EFAA CN(C)C(C)(C)Cn1cnc2ccc(OC(F)(F)F)cc2c1=O 584890675 WHNUKBUZRKGGML-UHFFFAOYSA-N 329.322 2.635 0 50 EFAA NC(=O)c1cccc(NCc2nc(C(F)(F)F)n3c2CCCC3)c1 1414079058 AAKOTAOEMIWSQT-UHFFFAOYSA-N 338.333 2.949 0 50 EFAA COc1ccccc1CN1CCN(CCN2C[C@@H](C)C[C@@H](C)C2)CC1 659874754 IERSTTQWTDPDBR-KDURUIRLSA-N 345.531 2.791 0 50 EFAA CCn1c(C)cc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)c1C 276236429 KICJLPCPFJQWSO-WMLDXEAASA-N 330.432 2.508 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)ccc1Oc1ccncc1 278360342 YHPONGCLJKQSEK-JKSUJKDBSA-N 342.351 2.753 0 50 EFAA C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccnc(-n2cccn2)c1 170594958 JBTJVEUKVZGECW-AWEZNQCLSA-N 338.386 2.901 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 170613565 ZHAGVMWOSOTVIW-KRWDZBQOSA-N 335.363 2.818 0 50 EFAA O=C(O)[C@@H](N[C@@H]1CCOc2c(Br)cccc21)C1CC1 635014967 AZAHYHXAAXUMDK-NEPJUHHUSA-N 326.190 2.726 0 50 EFAA COC[C@]1(C(=O)O)CCN(C(=O)NCC(C)(C)C2=CCCCC2)C1 635515837 XEQGYUOLWMBWCG-SFHVURJKSA-N 338.448 2.646 0 50 EFAA Cc1csc2c(N3CCC[C@@H]3CC(=O)c3cnn(C)c3)ncnc12 189989660 KBRHBKXLUUDHKQ-CYBMUJFWSA-N 341.440 2.975 0 50 EFAA Cc1nnsc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 190537396 GKOQCSZSTDVHSQ-LLVKDONJSA-N 336.848 2.899 0 50 EFAA O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1-n1ccnn1 193282119 QECQCGPHOWVPRP-MRXNPFEDSA-N 334.335 2.508 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1n1cccn1 195327264 AEUXVEJUJXEZER-LSDHHAIUSA-N 349.456 2.662 0 50 EFAA Cn1ncc(C(F)(F)F)c1CNC1CCN(c2nccs2)CC1 657455452 KJFQNTULIOKUPU-UHFFFAOYSA-N 345.394 2.654 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1 795523737 JDVWIJLDAIXUCK-ZDUSSCGKSA-N 335.791 2.636 0 50 EFAA CC(=O)N1CCC(N2CCC3(CC2)OCCc2sccc23)CC1 1704337459 ZTFLXILHISKXSI-UHFFFAOYSA-N 334.485 2.623 0 50 EFAA CN(C)c1nc(NC[C@H]2CCCN(Cc3ccco3)C2)ncc1F 1772710482 ARPJBBVFWMWMDY-CYBMUJFWSA-N 333.411 2.599 0 50 EFAA Cc1ccc(N2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)cc1 1772805956 RYAULZZRKOCJPT-GOSISDBHSA-N 329.488 2.764 0 50 EFAA CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(noc2C)C[C@]1(C)O 5073465 WJFPHIALWKFGEJ-QRVBRYPASA-N 328.412 2.693 0 50 EFAA CSCCC(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 12164123 VFXUQYUCIDVETL-OAHLLOKOSA-N 328.437 2.921 0 50 EFAA COc1cccc(C(=O)[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 12747317 BZYCVBKFRXWVAW-QGZVFWFLSA-N 344.455 2.601 0 50 EFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@H]1CC(=O)N1CCCCC1 16649875 KVYBMOLABXLLAD-OAHLLOKOSA-N 338.411 2.521 0 50 EFAA O=C(c1ccoc1)N1CCC2(CC1)NC(c1ccc(Cl)cc1)=NO2 169754938 SDJOIZDWGMOEPI-UHFFFAOYSA-N 345.786 2.847 0 50 EFAA O=C(NC[C@@H]1CNCCCO1)N1CCC[C@H]1c1ccccc1Cl 333895296 YYNZZARCLROMSJ-BBRMVZONSA-N 337.851 2.565 0 50 EFAA COc1ccc(C2=NO[C@@H](CNC(=O)c3cccs3)C2)cc1F 225768622 CSCPVGBEYZTGSA-LLVKDONJSA-N 334.372 2.819 0 50 EFAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncc(Cl)cc1Cl 336910447 HTAXWWXZRBKXAL-TUKIKUTGSA-N 331.243 2.750 0 50 EFAA CC1CCN(C[C@H]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 246741295 MSCJENPGGXWSLV-VQIMIIECSA-N 347.478 2.796 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)C[C@H]1C 252537098 KHFVMTVMLQMNBP-SMKXDYDZSA-N 330.428 2.761 0 50 EFAA COc1ccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cn1 363462675 UEXHUBYPHIZPRC-INIZCTEOSA-N 345.374 2.512 0 50 EFAA NC(=O)COc1ccccc1C(=O)N1CCC2(CCCCC2)CC1 261643796 LHAKGRRWTRMENK-UHFFFAOYSA-N 330.428 2.737 0 50 EFAA CCOc1cc2c(cc1NC(=O)c1cnc3[nH]ncc3c1)O[C@@H](C)C2 1123484295 QFBVREBBGIVZFF-JTQLQIEISA-N 338.367 2.932 0 50 EFAA Cn1ncc(NC(=O)c2ccnc3[nH]c(CC4CC4)nc23)c1Cl 825538564 AQVOVWYUXRVFOR-UHFFFAOYSA-N 330.779 2.550 0 50 EFAA O=C(COc1ccc(F)c(F)c1)N[C@]1(c2ccccc2)C[C@H](O)C1 829144706 IGNUZPKPGDSZDT-QGGXVJLZSA-N 333.334 2.510 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H](NCCn2ccnc2)C12CCCC2 831022020 QGJFUOBHWZOHLC-OAHLLOKOSA-N 334.464 2.795 0 50 EFAA CN(C(=O)c1ccc(F)cc1)[C@@H]1CCN(C(=O)Cc2ccccc2)C1 938817512 XFDURVNIYSECGW-GOSISDBHSA-N 340.398 2.741 0 50 EFAA CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cn1 1875259591 SLGCSZIYQCJPMW-PKNBQFBNSA-N 339.395 2.882 0 50 EFAA O=C(c1ccnc(-n2cccc2)c1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21 1875296388 UFSQBXLQANJEBH-XIRDDKMYSA-N 325.412 2.638 0 50 EFAA CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl 10544274 SESBKUBHSBNBDL-NEPJUHHUSA-N 338.256 2.917 0 50 EFAA O=C(NCc1nnc([C@H]2CCCOC2)o1)c1cccc(Cl)c1F 886096893 NLEPBJLKLCJDMS-VIFPVBQESA-N 339.754 2.686 0 50 EFAA NC[C@@H]1CCO[C@@H]1c1nc(COc2cccc(Cl)c2Cl)no1 888078281 GIEGFXYNUVYBGL-SDBXPKJASA-N 344.198 2.992 0 50 EFAA CO[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccccc3)n2)N(C)C1 889470232 SZQPIRJVKPZWRK-GJZGRUSLSA-N 327.384 2.532 0 50 EFAA COc1ccc(-c2noc(C[C@@H](NC3CC3)C(F)(F)F)n2)cc1 1775990620 NYRBFXSJPPKFAE-GFCCVEGCSA-N 327.306 2.971 0 50 EFAA CO[C@H](C)c1nc(CC(=O)N2CCC(c3cnn(C)c3)CC2)cs1 2325739199 BZFRZIAPAUVCDM-GFCCVEGCSA-N 348.472 2.533 0 50 EFAA C[C@@H](NCc1ccc(COc2ccccc2)cc1)C1(O)CCNCC1 2325801741 UNNDMOKPCJYMBL-QGZVFWFLSA-N 340.467 2.858 0 50 EFAA CC(C)[C@H](Sc1ccccc1)C(=O)N=[S@@](C)(=O)CCCO 2325804177 YUCOXAZUAZWHNV-QKKBWIMNSA-N 329.487 2.810 0 50 EFAA C1=C[C@@H](N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]o2)CNC1 2325860144 ZKMOTCZWQHGKJI-OAHLLOKOSA-N 334.379 2.891 0 50 EFAA O=C(C1CC2(CCC2)C1)N1CCCN(C[C@@H](O)c2ccccc2)CC1 981787500 LRWXYMWCZIUJMU-LJQANCHMSA-N 342.483 2.835 0 50 EFAA COc1cccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 615513 ICQBKMFZDXFMEE-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 619080 WZGLVJYENJQRJD-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA NC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 619440 MDNAMEMIKLQKBP-UHFFFAOYSA-N 331.331 2.745 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)NC[C@@H](O)c1cccc(O)n1 2356142140 GCWZADONAYAWJF-QGZVFWFLSA-N 349.390 2.621 0 50 EFAA COc1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1F 2356142454 SNXZOOBRLLFOEV-UHFFFAOYSA-N 342.374 2.505 0 50 EFAA COc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1OC 2721569 ZEXRTZITXDQTFM-UHFFFAOYSA-N 339.395 2.943 0 50 EFAA biogenic O=C(c1ccco1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4011841 SDOPVRHXTMFUPI-UHFFFAOYSA-N 342.439 2.780 0 50 EFAA CCOc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1 4497261 ILZPZNXBFGFYAC-MRXNPFEDSA-N 338.407 2.550 0 50 EFAA CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1O 4841282 MLMUFQDVZYTJML-UHFFFAOYSA-N 346.456 2.775 0 50 EFAA CCOC(=O)c1sc(NC(=O)CSc2ccccn2)nc1C 6715688 GXSBKTNROHIKLO-UHFFFAOYSA-N 337.426 2.754 0 50 EFAA CSc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 10111254 IEMFESNRXXYDIE-UHFFFAOYSA-N 342.530 2.953 0 50 EFAA COCCOc1cccc(NC(=O)c2ccccc2OCCOC)c1 10155359 WNWMSYPWFVQZSO-UHFFFAOYSA-N 345.395 2.989 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC(=O)Nc2ccccc21 8478864 MEDILXXFSOJQAV-OAHLLOKOSA-N 328.343 2.968 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)cc1 20531611 TXDUBNNHXHWDFX-GFCCVEGCSA-N 337.379 2.628 0 50 EFAA Clc1ccc(N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)cc1Cl 102835176 DTPUBQPPEUNGNH-WDNDVIMCSA-N 326.271 2.581 0 50 EFAA O=C(N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CCCO1 225710086 MKHGUATZCJQLDF-RYUDHWBXSA-N 326.190 2.568 0 50 EFAA CN(C)Cc1cn(C2CCN(C/C=C/c3ccccc3)CC2)nn1 55306937 XGBXJYVTJJLMGV-RMKNXTFCSA-N 325.460 2.690 0 50 EFAA CC(C)N1CCN(C(=O)c2coc(COc3cccc(F)c3)n2)CC1 55131486 MMKZCGWTGNKPJU-UHFFFAOYSA-N 347.390 2.559 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 116782817 OPHXBYYZFJGFLV-MRXNPFEDSA-N 349.438 2.996 0 50 EFAA Cc1cc(CC(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)n[nH]1 247308512 IDUASSJWDDRASG-QVDMIQRCSA-N 340.471 2.533 0 50 EFAA CCc1ccc(O[C@@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 6489934 YZLPVYOOVWGIKX-XHDPSFHLSA-N 344.333 2.875 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)NCC3CCNCC3)s2)cc1 63855942 HNFONLZPJJPKMK-UHFFFAOYSA-N 331.445 2.635 0 50 EFAA Cc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c(F)c1 20103382 XSNWJWOXXQGIGW-OAHLLOKOSA-N 338.342 2.660 0 50 EFAA COc1cccc(-n2cc([C@@H](C)NC(=O)Cc3cc(C)no3)cn2)c1 67851084 YBVDNGJIBOELPI-CYBMUJFWSA-N 340.383 2.597 0 50 EFAA CCO[C@H](C)c1ncc(C(=O)NCCc2cccnc2OC)s1 355645750 GLNKVBFHMGBTHR-LLVKDONJSA-N 335.429 2.617 0 50 EFAA C/C=C(\C)CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67983002 QXTFSHDMPQIOAI-UDCCBSLUSA-N 326.444 2.717 0 50 EFAA O=S(=O)(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1 1390020 DJRZCXONCOIHBT-UHFFFAOYSA-N 346.799 2.993 0 50 EFAA CCC(CC)CN1CC2(CCN(C(=O)c3ccncc3)CC2)OC1=O 77340354 HZVSFDZCTKVUKU-UHFFFAOYSA-N 345.443 2.945 0 50 EFAA Cc1ccccc1SC1CCN(C(=O)CCn2cncn2)CC1 77541015 CQJVXINSLHJNTN-UHFFFAOYSA-N 330.457 2.760 0 50 EFAA Cn1c([C@H]2CCCN2Cc2nc(C3CC3)n[nH]2)nc2c1CCCC2 328633761 MGWYQMJVEICPEC-OAHLLOKOSA-N 326.448 2.632 0 50 EFAA COc1cccc(CN2CCN(Cc3cc(F)cc(F)c3)CC2=O)c1 72159379 PAONVMYVGBBAGA-UHFFFAOYSA-N 346.377 2.818 0 50 EFAA Cn1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccccc3F)[nH]2)cn1 360927846 IFMYAIMBFQAEPF-MRXNPFEDSA-N 339.374 2.927 0 50 EFAA Nc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)cn3)CC2)cn1 328639913 PUPVONYNMHNTSD-CYBMUJFWSA-N 345.834 2.819 0 50 EFAA C[C@H]1SCCN(C(=O)c2csc(CN)n2)[C@H]1c1ccccc1 237602243 TYPOZQJWKULKGV-IAQYHMDHSA-N 333.482 2.921 0 50 EFAA OC[C@H]1CCCN1c1cc(N2Cc3ccc(Cl)cc3C2)ncn1 334112945 DOOAYABXRNPJFM-OAHLLOKOSA-N 330.819 2.611 0 50 EFAA CCOC(=O)N1CCC(Nc2nncc(-c3ccccc3C)n2)CC1 12582412 WJWLQVQWYVERIH-UHFFFAOYSA-N 341.415 2.880 0 50 EFAA CN1CCCC[C@H]1CCN1CCCN(C(=O)c2ccsc2)CC1 363682316 KMPSIGRGVAAJCI-KRWDZBQOSA-N 335.517 2.770 0 50 EFAA O=C(CCOCc1ccccc1)N1CC[C@](O)(c2ccc(F)cc2)C1 375017613 HTYYDDPGPPVVPV-HXUWFJFHSA-N 343.398 2.853 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 368832122 BRLBTUXFEBYZQA-ZDUSSCGKSA-N 340.383 2.599 0 50 EFAA CC(C)NC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72143490 QJNLFWRYKVIISJ-LBPRGKRZSA-N 330.354 2.777 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)c(F)c(F)c1 237979488 AYHAGZAOAYSYQR-HJIKLVIJSA-N 327.302 2.962 0 50 EFAA Nc1cccc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)n1 219593493 VRBYOHFSYOIFPN-HNNXBMFYSA-N 325.412 2.997 0 50 EFAA COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cn3nccc3nc1C)C2 333077479 LFTATBCLSYOYRV-UHFFFAOYSA-N 348.406 2.734 0 50 EFAA CN(Cc1cn(-c2ccccc2)nn1)Cc1nnc(-c2ccccc2)o1 72146418 MEYUFNONDYWCRQ-UHFFFAOYSA-N 346.394 2.949 0 50 EFAA CC(C)c1noc([C@@H]2CCCCN2C(=O)C(=O)c2cccnc2)n1 222872004 QDFXGNATXRMZCE-ZDUSSCGKSA-N 328.372 2.525 0 50 EFAA CN(Cc1ccc(F)c(Cl)c1)Cc1nnn(CC(F)(F)F)n1 239653676 BKSMMQWBNBOBJL-UHFFFAOYSA-N 337.708 2.660 0 50 EFAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cc(COc3ccccc3F)on2)O1 239672625 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2.753 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 95383297 WPTOPQLAEZGWRW-HNNXBMFYSA-N 334.464 2.650 0 50 EFAA Cc1cnc(C)c(N2CCC(c3nccn3CCCN(C)C)CC2)n1 95361950 GTVSZYMZLITMGU-UHFFFAOYSA-N 342.491 2.626 0 50 EFAA CC(C)n1cnnc1[C@@H](C)n1cc(-c2ccc(-c3cc[nH]n3)o2)nn1 91646131 GDTSHKKDVSTOFR-LLVKDONJSA-N 338.375 2.710 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCCC[C@H]3[C@@H](C)N)c2C)no1 237376295 CTIQYQZPCNPTNC-CJNGLKHVSA-N 330.432 2.732 0 50 EFAA COc1ccc(-c2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cn1 95384814 HFUPIWGOXNOERY-QGZVFWFLSA-N 335.411 2.796 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)NCc1cccc(F)c1)CC2 92019591 QYYBDGGENGRZHL-UHFFFAOYSA-N 347.434 2.760 0 50 EFAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@H]1OCCc2ccccc21 253981569 FLINENSKWZJVQL-BZUAXINKSA-N 331.799 2.818 0 50 EFAA COc1ccc([C@H]2Cn3cnc(C(=O)N4CCCCC4)c3CO2)cc1 263617881 QEMQJKDGRAZEFI-QGZVFWFLSA-N 341.411 2.789 0 50 EFAA O=C(CCc1nc2ccccc2s1)N[C@@H]1CCc2c[nH]nc2C1 363945462 QUVMMNFXMIOQBC-GFCCVEGCSA-N 326.425 2.626 0 50 EFAA CCCc1ncncc1C(=O)NC[C@H]1CCN(c2ccccc2C)C1 299781028 VFMHDWOQCJBFLJ-MRXNPFEDSA-N 338.455 2.994 0 50 EFAA CC(C)c1nc(CCNC(=O)Cn2c(=O)oc3ccccc32)cs1 299794029 IXKPMRJCFQJRON-UHFFFAOYSA-N 345.424 2.533 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnc(O)cc3O)C2)cc1 299800364 WGZXCVDZJOSVJG-CQSZACIVSA-N 342.395 2.732 0 50 EFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccccc1N1CCOCC1 299775141 ABPUKRYFDGIBCP-INIZCTEOSA-N 344.455 2.745 0 50 EFAA COCCc1noc([C@H](C)NC2CCN(c3ccccc3C)CC2)n1 584900936 SFRNKZMHNADMBT-HNNXBMFYSA-N 344.459 2.887 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1nn(C)cc1OC 1412679725 QEMNLYHAAVVDJB-DGCLKSJQSA-N 335.379 2.603 0 50 EFAA Cc1c[nH]cc(Br)c1=NC(=O)[C@@H]1C[C@H]1c1ccncc1 1338214264 JIQCYGIUDAHIAI-NWDGAFQWSA-N 332.201 2.712 0 50 EFAA Cc1nc(NCc2c(Br)c3ccccc3n2C)nn1C 871071804 GSWHWFFINROMKU-UHFFFAOYSA-N 334.221 2.990 0 50 EFAA COc1ccc(OC2(C(=O)NCc3ccco3)CCOCC2)cc1 951723470 PEOWJAWJNDSFER-UHFFFAOYSA-N 331.368 2.533 0 50 EFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NC1(C(=O)O)CCOCC1 952981080 UOSILVSUWYSGFV-HNNXBMFYSA-N 343.379 2.552 0 50 EFAA COc1ccccc1OCc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1565516616 JMOKVMGNNBBZLI-IPYPFGDCSA-N 341.411 2.916 0 50 EFAA Cc1noc(C[C@@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc2)n1 408514698 LTPJWDQBDLSUMY-AEFFLSMTSA-N 337.379 2.512 0 50 EFAA Oc1nnc(NCCSCc2ccnc(Cl)c2)cc1Cl 408524142 QNXYBJUKLQUWRN-UHFFFAOYSA-N 331.228 3.229 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@H]2CC[C@@H](N)C2)C1 269236608 HACPUQFPJXTLIG-IJEWVQPXSA-N 335.879 2.718 0 50 EFAA O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)s1 271514858 LXXKADDSYJDGQA-NWDGAFQWSA-N 325.817 2.616 0 50 EFAA O=C(Nc1nccn1-c1ccccc1)N[C@H]1CCO[C@@H](C2CC2)C1 390832945 BNJSSOPSBDHGSB-GOEBONIOSA-N 326.400 2.951 0 50 EFAA CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccs1 170086469 XRZACWPFODZLDS-UONOGXRCSA-N 339.505 2.686 0 50 EFAA CC[C@@]1(C)CN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCO1 170604074 HDDGPTPBEBPABQ-LPHOPBHVSA-N 331.460 2.723 0 50 EFAA Cn1cc([C@H]2CSCCN2CCC(=O)Nc2ccccc2F)cn1 170612055 WHWNZEZMEZAYOA-MRXNPFEDSA-N 348.447 2.678 0 50 EFAA CCOc1cc(CN2CCO[C@]3(CCOC3)C2)cc(Cl)c1OC 187547260 JEOGMYJNIGIAMH-QGZVFWFLSA-N 341.835 2.739 0 50 EFAA CCn1c(C)nnc1CN1CCO[C@H](c2ccc(F)cc2Cl)C1 187847262 GSUSYQAQDXOHKX-HNNXBMFYSA-N 338.814 2.972 0 50 EFAA O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 188435484 UXOOJIHZEKXGIU-KBPBESRZSA-N 342.892 2.899 0 50 EFAA Cc1nc2cc(NC(=O)N3CCNC(=O)[C@H]3CC(C)C)ccc2o1 188466381 FPCVTLWOBIOJPG-CQSZACIVSA-N 330.388 2.515 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2ncnn2C)cc1 190221614 JOLFBPKCIHVDAV-CJNGLKHVSA-N 328.416 2.556 0 50 EFAA CCO[C@H]1C[C@H](Nc2cnn(-c3ccncc3)c2)C12CCOCC2 681108377 ARTXRGACCCFDCF-IRXDYDNUSA-N 328.416 2.653 0 50 EFAA CCc1nn(C)c(NC(=O)CCC(=O)N(C)C2CCCCC2)c1C 1529190734 NLJAXONFUSZSCL-UHFFFAOYSA-N 334.464 2.801 0 50 EFAA Cc1n[nH]c(C)c1CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529145978 RMKNWTZNJVYBCX-OXQOHEQNSA-N 336.439 2.610 0 50 EFAA Cc1cc2[nH]c(CN(C)Cc3cc4cc(F)ccc4[nH]3)cc(=O)n2n1 1529158576 FNSUDIDEFRYXJE-UHFFFAOYSA-N 339.374 2.583 0 50 EFAA CCc1cc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)on1 1704358757 SCGQKIWQZBJLPY-FOIQADDNSA-N 337.423 2.821 0 50 EFAA COCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 11763821 SZLQZACHJAXQBQ-OAHLLOKOSA-N 331.391 2.788 0 50 EFAA O=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccccc2F)C1 11879092 GWMYJFHLFQDTGN-OAHLLOKOSA-N 332.419 2.619 0 50 EFAA CN(C)C(=O)c1ccc(N2CCC(NCCc3ccco3)CC2)cc1 12247671 INDQPAYRNFWDBA-UHFFFAOYSA-N 341.455 2.783 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@H]2CNCCO2)s1 1857684788 DHLPKXPRGDRFDZ-AWEZNQCLSA-N 340.452 2.970 0 50 EFAA C[C@H](c1ccccc1)[C@H](CNC(=O)CC1CC1)NC(=O)CC1CC1 408523675 UPCXDTHTQUVXCH-KDOFPFPSSA-N 328.456 2.991 0 50 EFAA Cc1cc(F)c(S(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)cc1F 122293139 ZRLFDFHDQMEEFI-VIFPVBQESA-N 344.383 2.788 0 50 EFAA O=C(N[C@@H](CCO)c1ccccc1Br)[C@H]1CCCCO1 330805745 JTQCLAMKLKCJIL-UONOGXRCSA-N 342.233 2.558 0 50 EFAA CC(C)(CNC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)O 236640211 QWLYBHHODVGYEW-UHFFFAOYSA-N 339.819 2.615 0 50 EFAA Cc1nc(NS(=O)(=O)c2cc(F)ccc2F)cc(C2CC2)n1 127486244 IMNAKYLQBHVCSX-UHFFFAOYSA-N 325.340 2.741 0 50 EFAA Cc1oc(C(=O)Nc2ccc(C3CC3)c(F)c2)cc1S(N)(=O)=O 241287110 LJZRQTJUGBFXCM-UHFFFAOYSA-N 338.360 2.504 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CCOc2ccc(F)cc2)C1 344674108 IWGJREOLGURAEQ-CVEARBPZSA-N 346.406 2.662 0 50 EFAA COCCCOC1CN(C(=O)c2ccc(Cl)c3ncccc23)C1 252508350 XKVAKYOSFASDCN-UHFFFAOYSA-N 334.803 2.766 0 50 EFAA COc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cn1 363462676 UEXHUBYPHIZPRC-MRXNPFEDSA-N 345.374 2.512 0 50 EFAA O=C1NCCCC[C@H]1Cc1nc(-c2ccccc2OC(F)F)no1 377437677 GRQIMBPSSQFLQP-JTQLQIEISA-N 337.326 2.797 0 50 EFAA COC[C@@H](C)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 264620758 RBLHLDPVQFDRQY-WBMJQRKESA-N 325.836 2.895 0 50 EFAA Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)o1 265301713 VDFZLBHWDUNGJU-NEPJUHHUSA-N 344.333 2.662 0 50 EFAA COc1cccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1N 386504648 LPQPNNLVIATKAV-MRXNPFEDSA-N 339.439 2.624 0 50 EFAA CN(CC1CCCCC1)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 912231071 TZUSEPHXIIBRSP-MRXNPFEDSA-N 329.444 2.551 0 50 EFAA CCc1nc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)no1 818024314 JFYKDQDWLJVCKH-QAPCUYQASA-N 331.416 2.513 0 50 EFAA Cc1nn(CC(=O)N2CCCc3c(F)cc(F)cc32)c2ncccc12 931514503 SZEPSCBSZJCGPE-UHFFFAOYSA-N 342.349 2.997 0 50 EFAA O=C(N[C@H]1CCc2ncccc2C1)c1ccc2c(c1)nc(O)n2C1CC1 1875287529 NCTQUPVQPQSBGP-AWEZNQCLSA-N 348.406 2.759 0 50 EFAA C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1ccc(Oc2ccccn2)cc1 1875277867 KVWWNFBDOQJXBS-SWLSCSKDSA-N 326.352 2.809 0 50 EFAA OCC[C@H](N=c1[nH]c(-c2cccnc2)nc2ccccc12)C(F)F 1875360818 JTPQBNYWHYCHQB-AWEZNQCLSA-N 330.338 2.542 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCn3cc(C)nc3[C@@H]2C)cc1 1875373862 RJRGWAWEQAVUJV-AWEZNQCLSA-N 338.411 2.557 0 50 EFAA CC(C)C[C@@H](CC(=O)O)C(=O)N1CCOC[C@H]1c1cccc(F)c1 899824911 DREKCNNKKVEMEK-HOCLYGCPSA-N 337.391 2.863 0 50 EFAA C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc3c(c2)OCO3)O1 87949 UCRUBPDEEMLHSM-SGTLLEGYSA-N 327.336 2.907 0 50 EFAA O=C1C[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccccc2)N1 80051 PASUUNNXDLRTNX-HNNXBMFYSA-N 339.420 2.976 0 50 EFAA FC(F)Cn1ccc(CNCc2c(Cl)nc3ccccn23)n1 2325750492 ROHAETCEOUVAAO-UHFFFAOYSA-N 325.750 2.739 0 50 EFAA CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)O)N1 2325768433 ZUZJSHDRTPTEJX-ZWKOTPCHSA-N 338.407 2.517 0 50 EFAA O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1 266643 KNSHTZFYCWNUHJ-UHFFFAOYSA-N 344.455 2.707 0 50 EFAA O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO 2016364 FOCBRQQHNOKOJQ-UHFFFAOYSA-N 332.762 2.655 0 50 EFAA in-vitro CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 3141075 WVVSAEYSDOIAOP-UHFFFAOYSA-N 346.452 2.750 0 50 EFAA COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 4916967 IAUAEJHVTHKNGW-MRXNPFEDSA-N 348.468 2.792 0 50 EFAA CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Br)o1 6701374 NBCLDHHHNCSWNM-UHFFFAOYSA-N 337.173 2.996 0 50 EFAA C[C@H](CO)CN(CCn1c(=O)oc2ccccc21)Cc1ccccc1 55392924 YYNWBRFGKRHIBS-INIZCTEOSA-N 340.423 2.725 0 50 EFAA Cc1cc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)no1 9341467 OWNXSSJICGYTJL-UHFFFAOYSA-N 331.347 2.613 0 50 EFAA COC(=O)CN(C)C(=O)c1ccc(NCc2sccc2C)cc1 55037125 GYQMMQFCBHPOPE-UHFFFAOYSA-N 332.425 2.914 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 225525272 YSPSJNSIHQFHIT-CRAIPNDOSA-N 344.386 2.956 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)n2cncn2)ccc1NC(=O)C(C)(C)C 55575446 ZYWIVRPUFOLWBK-GFCCVEGCSA-N 329.404 2.771 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccccc3C)C[C@@H]2CCO)o1 23153335 QBKLPOSQEITNNA-IBGZPJMESA-N 328.456 2.965 0 50 EFAA CC[C@H]1C=CCN1C(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 65459256 LKFDKVDATUHPDO-KRWDZBQOSA-N 342.439 2.869 0 50 EFAA C[C@@H](Cc1cn(Cc2nc3ccccc3c(=O)[nH]2)nn1)c1ccccc1 67967868 JHXBXTDWZOQGDR-AWEZNQCLSA-N 345.406 2.909 0 50 EFAA CC(C)c1cc(CN(C)C(=O)C[C@H]2NC(=O)c3ccccc32)on1 65370941 HQCHAMVCDYDZDG-MRXNPFEDSA-N 327.384 2.631 0 50 EFAA Fc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1 20917300 AABNQHOWTYITOP-UHFFFAOYSA-N 332.463 2.902 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)N3[C@@H](C)CC[C@H]3C)cnn2c1 67934125 OUOFDVDGTDCWRY-OKILXGFUSA-N 329.448 2.584 0 50 EFAA O=C(O)c1ccccc1NS(=O)(=O)c1cccnc1C(F)(F)F 352431462 MSGLILBLVDKQTH-UHFFFAOYSA-N 346.286 2.599 0 50 EFAA CC(C)COc1cccc(NC(=O)c2ccc(-n3cncn3)nc2)c1 128238935 YCUPRRDECZFEGA-UHFFFAOYSA-N 337.383 2.949 0 50 EFAA O=C1NC[C@@H](c2ccc(Cl)cc2)Cc2[nH]c(-c3ncc[nH]3)nc21 67676818 SKEDGFJNKSLNGZ-JTQLQIEISA-N 327.775 2.523 0 50 EFAA O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2 8849 RXLOZRCLQMJJLC-UHFFFAOYSA-N 325.206 2.728 0 50 EFAA biogenic,in-man CC[C@@H](C)NC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 814960 QASBCKZFOOIPLI-NOZJJQNGSA-N 325.206 2.857 0 50 EFAA Cc1ccc(SCCNC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 230133230 IBRFCTJSVYMSDZ-QLEMLULZSA-N 340.514 2.638 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNc2nccn(C)c2=O)C1 253428369 KUFPJIHDZGNIPK-CYBMUJFWSA-N 332.835 2.681 0 50 EFAA Cc1cccc(C)c1NC(=O)CNc1nc2c(F)cccc2n1C 357306005 AYXWWFIJZMCUQK-UHFFFAOYSA-N 326.375 3.380 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(C2CCCCC2)CC1 328632240 LFLFGOWGOIRHEJ-ROUUACIJSA-N 332.492 2.637 0 50 EFAA Cn1ccnc1CN(C(=O)c1ccc(CCC(C)(C)O)cc1)C1CC1 72476204 XLAPVRYEHROVLO-UHFFFAOYSA-N 341.455 2.928 0 50 EFAA COc1ccc(CCCNC(=O)c2ccc(-c3cn[nH]c3)nc2)cc1 71760050 AMGKVFCKPVXIKO-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA Cc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77407222 JAGBJGLPCRCWNJ-IBGZPJMESA-N 347.459 2.874 0 50 EFAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2c(=O)o1 280665351 FUCWUMLQIKITEY-UGSOOPFHSA-N 345.420 2.578 0 50 EFAA Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CCOCC3)[C@H]2C)c1 374973035 OGHLJIJUGYEICZ-JKSUJKDBSA-N 344.455 2.531 0 50 EFAA Cc1ccc([C@H](CNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)N(C)C)cc1 155873117 CCIISCNBWNUXKE-KUHUBIRLSA-N 342.487 2.933 0 50 EFAA c1ccc(CCc2noc(-c3ccc(N4CCCNCC4)nc3)n2)cc1 72150495 AOWSPGLJJDKPIJ-UHFFFAOYSA-N 349.438 2.717 0 50 EFAA O=C(Nc1ccnn1Cc1ccco1)c1cc(=O)c2ccccc2o1 32593512 MOCGEXXJYZAPER-UHFFFAOYSA-N 335.319 2.883 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)COCC(F)(F)C(F)F 218972216 BVRLKVUKDSDWMQ-QMMMGPOBSA-N 340.342 2.862 0 50 EFAA Cc1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3=O)C2)c(C)c1 71756795 LRMDDYGFVOQLHS-QGZVFWFLSA-N 343.471 2.719 0 50 EFAA CSc1ccc([C@H](CC(=O)O)NC(=O)c2c(C)nn(C)c2C)cc1 262270099 YIESGNBSVSZVMW-AWEZNQCLSA-N 347.440 2.705 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)cn1 333678427 DUGRWUGNNWFPNG-FTAMUGHTSA-N 344.459 2.542 0 50 EFAA Cc1c(C(=O)N2CC[C@H](C)C[C@H]2C(=O)O)cnn1-c1ccccc1F 262863055 AVBQAMIRLKNDEN-ZBEGNZNMSA-N 345.374 2.645 0 50 EFAA C[C@@]1(O)CCN(C(=O)c2cnn3ccccc23)C[C@@H]1Cc1ccccc1 72157565 QKGIRWJEIMOKCG-LAUBAEHRSA-N 349.434 2.790 0 50 EFAA COc1ccccc1N1CC[C@@H](CNC(=O)c2cncc(C)c2)C1 172959667 WMDBZOWMMDOCOK-HNNXBMFYSA-N 325.412 2.655 0 50 EFAA O=C(c1cc(-c2ccncc2)on1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337298397 OXJSJMZHSWZBPR-DJIMGWMZSA-N 341.411 2.892 0 50 EFAA Cc1nc(CNC(=O)c2ccccc2S[C@@H](C)C(N)=O)sc1C 240465860 GAVLFASXFNGQPB-NSHDSACASA-N 349.481 2.656 0 50 EFAA COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 241809987 SCEUBFVEJDJWQF-KYZVSKTDSA-N 337.464 2.731 0 50 EFAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 132224622 SWKMAMUTXRUPMG-PELKAZGASA-N 337.725 2.581 0 50 EFAA O=C1CC[C@@]2(CCCN(C/C=C/c3ccccc3)C2)CN1CCCO 85479073 OQRADWPVJNLNSV-AZJBKQKUSA-N 342.483 2.787 0 50 EFAA COc1ccc2nc(CCN(C)C(=O)CCc3cccn3C)[nH]c2c1 426727482 MEDOUBOGSLNKQS-UHFFFAOYSA-N 340.427 2.544 0 50 EFAA Cn1nc(-c2ccccc2)cc1C(=O)NCc1ccc2nc[nH]c2c1 426677726 ALIXLOGROCSGEI-UHFFFAOYSA-N 331.379 2.893 0 50 EFAA O=C(N[C@@H]1CCCn2ncnc21)c1csc(Cc2ccccc2)n1 177526655 GGFBMPXPFBZYRC-CYBMUJFWSA-N 339.424 2.590 0 50 EFAA CN(C)c1cccc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1 223601742 XWPIZXJGOIATBU-LJQANCHMSA-N 339.439 2.969 0 50 EFAA CC[C@H](NC(=O)Cn1c(C)cc(=O)c2ccccc21)c1ccncc1 220044034 MROQQPRIWDBPMI-KRWDZBQOSA-N 335.407 2.972 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)CCc1ccno1)CC2 426388594 WBENSNVGJNEILH-ZIFCJYIRSA-N 348.443 2.572 0 50 EFAA Cc1nc(NC(=O)[C@H](C)N2CCC[C@@H](c3ccnn3C)C2)sc1C 229219528 HDRZFWLXJCCPLQ-GXTWGEPZSA-N 347.488 2.700 0 50 EFAA COc1cccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 226818694 FBFPDUXJKXFIOE-CYBMUJFWSA-N 341.429 2.906 0 50 EFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cccn3cnnc23)no1 426523338 CJDJGFGGLHBSJH-CQSZACIVSA-N 325.372 2.818 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@@]4(CCCN(C)C4=O)C3)n(C)c12 91693751 JKOZHQRVWBEFGJ-FQEVSTJZSA-N 339.439 2.571 0 50 EFAA O=C(NC[C@]1(O)CCCNC1)Nc1cccc(Cc2ccccc2)c1 97713644 YMDGTTZZPNAJKV-FQEVSTJZSA-N 339.439 2.513 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nn2C)C[C@H]1N(C)C 95354213 NPFBWGARNFPYIZ-QFBILLFUSA-N 340.471 2.745 0 50 EFAA Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237796976 VYIZHTSQSWMCGZ-UONOGXRCSA-N 337.441 2.642 0 50 EFAA CC[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1F 161949949 FLWLSBGCXAITIK-SMDDNHRTSA-N 348.871 2.801 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC1CSCCSC1)C2 91306044 RPSJFDZNFHNXGT-GFCCVEGCSA-N 325.499 2.685 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CCOCCO)CC2)C1 91460879 KMBLDGOUOSCRSG-HXUWFJFHSA-N 346.515 2.587 0 50 EFAA Cc1ccc(-c2cccc(C(=O)NCCN3CCCC[C@H]3CO)c2)o1 97527808 PBNMKURGFMZHNR-SFHVURJKSA-N 342.439 2.832 0 50 EFAA CN(CCCNC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccccc1 97602162 VSOACLYRFAVJQT-UHFFFAOYSA-N 326.322 2.685 0 50 EFAA Cc1cc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)on1 244701005 JYFOPCUTLSSBSN-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA Cc1csc([C@@H](NC(=O)Cc2c(C)n[nH]c2C)C(F)(F)F)n1 295510961 WEXBIBDYXISMOV-LLVKDONJSA-N 332.351 2.754 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 299228539 QRNCQAMBVVXFEJ-KBAYOESNSA-N 344.455 2.766 0 50 EFAA Cc1cc(N2CCCN([C@H](C)C(=O)Nc3ccccc3)CC2)ccn1 299779154 QRKTZVNSDOAFOI-QGZVFWFLSA-N 338.455 2.929 0 50 EFAA Cc1nc(C)c(CNC(=O)c2ccc(C)c(OCCCN)c2)s1 299769419 NEHFUXJWDFZLAQ-UHFFFAOYSA-N 333.457 2.726 0 50 EFAA Cc1cnn(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c1 299761478 MCLAPTQRHYCGDY-SFHVURJKSA-N 344.434 2.674 0 50 EFAA CCCOc1c(CNC(=O)CN2CCCCCC2=O)cccc1OC 299757317 LIYKTKZOVTYNND-UHFFFAOYSA-N 348.443 2.503 0 50 EFAA Cc1cc(C(=O)NCC2CCN(C[C@H]3CC=CCC3)CC2)nn1C 828219013 DOYRGHDJLGMDLY-KRWDZBQOSA-N 330.476 2.527 0 50 EFAA CC[C@@H](NC(=O)Cc1ncccc1C)c1ccc(S(C)(=O)=O)cc1 584899514 PXADYDRSCBGMAH-MRXNPFEDSA-N 346.452 2.604 0 50 EFAA CCCn1nccc1S(=O)(=O)NC[C@]1(c2ccccc2)CC1(C)C 670436142 AUIPHDSPENHLIU-SFHVURJKSA-N 347.484 2.939 0 50 EFAA NCCc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 952986233 FZXCOSWPPGYXKS-IBGZPJMESA-N 340.423 2.998 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc(C(=O)O)c1C 185127341 ODLKOILBOJKRDR-BBRMVZONSA-N 337.441 2.955 0 50 EFAA Nc1ncc(/C=C/C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cn1 952975553 KMYZYGNZANQOER-FPYGCLRLSA-N 328.803 2.917 0 50 EFAA CC1=C(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)OCCO1 952977003 ZCYGFIJZJCWYHR-GOSISDBHSA-N 344.455 2.998 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCCN(c2ccccc2Cl)CC1 408075632 ZCKQGCLQGNSEDL-UHFFFAOYSA-N 344.846 2.904 0 50 EFAA c1cnc(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)nc1 1565530078 IWMBYOBJUNHIAO-APWZRJJASA-N 334.467 2.540 0 50 EFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 75935246 FGBATIXWORBPSU-MSOLQXFVSA-N 330.472 2.699 0 50 EFAA CN(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccn2)n1 408512890 GVPWOBIKIFINTK-HOCLYGCPSA-N 344.484 2.737 0 50 EFAA COc1cc(Cl)cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc[nH]2)c1 1395647340 FCJWJTPFGYQARJ-LLVKDONJSA-N 349.818 2.567 0 50 EFAA CCN1C(=O)CCc2cc(NC(=O)[C@@H](C)C3CCOCC3)ccc21 185590001 RTXNHJKQFHAFLV-ZDUSSCGKSA-N 330.428 2.987 0 50 EFAA O=C(c1c(O)cccc1F)N1CCC[C@@H](c2noc(C3CC3)n2)C1 274711125 UHMMERAILZLTEI-LLVKDONJSA-N 331.347 2.812 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(C(F)(F)F)n1 275441046 FWWVZSAEVZGJRY-ONGXEEELSA-N 327.310 2.654 0 50 EFAA Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)C2CC2)c(C)c1 170112332 GOZBHYKPPDFADN-CYBMUJFWSA-N 330.457 2.891 0 50 EFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCOC2CCCCCC2)C1 170631182 GLXCTWXWSMWGCF-GASCZTMLSA-N 332.510 2.538 0 50 EFAA COc1cccc([C@H](C(=O)O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1 634693414 XGISNUNAXNXDMU-ZLKJLUDKSA-N 347.333 2.863 0 50 EFAA O=C(Nc1ccc(NC(=O)C2(C(=O)O)CCCCCC2)cn1)C1CC1 663111756 YVONGOIIEFZLIJ-UHFFFAOYSA-N 345.399 2.794 0 50 EFAA O=C(CN1CCC[C@H]1c1ncccn1)NC1C2CC3CC(C2)CC1C3 639841209 STMOUPPKUFYRLP-MGMWPHTOSA-N 340.471 2.554 0 50 EFAA CCCCc1nc(Cn2nc(C)c([C@H]3CCCC(=O)N3)c2C)no1 664097052 UEMAULJOBKHYJK-CYBMUJFWSA-N 331.420 2.615 0 50 EFAA CC[C@H](C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)c1ccccc1 193337593 RFCONINZHYCTRX-JKSUJKDBSA-N 332.469 2.608 0 50 EFAA O=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](c2nnc(O)o2)C1 670384344 OMLPXFIIFQNHPH-SECBINFHSA-N 346.368 2.512 0 50 EFAA Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)c(C)s1 653666298 NXVZRXRPQXCGHG-OAHLLOKOSA-N 331.393 2.856 0 50 EFAA Cc1nccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)O)n1 676020758 AJXSIAMSNQKRHU-KRWDZBQOSA-N 349.390 2.612 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H](C(=O)O)c2cccc(OC)c2)s1 659176441 YQMTXLRUYKVUNH-ZDUSSCGKSA-N 334.397 2.578 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCCc2ccc3ccccc3c2)CC[C@@H]1O 1704306502 NQJTVLWJVMPHPM-CEXWTWQISA-N 327.424 2.675 0 50 EFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc3nc[nH]c3c1)C2 1704298034 DBIRXLXSVRKONF-SJORKVTESA-N 349.456 2.533 0 50 EFAA CN(Cc1ccccc1CN1CCCC1)C[C@H]1CCC(=O)N(C)C1 1775976939 CEFWVLGGUYLCTQ-QGZVFWFLSA-N 329.488 2.583 0 50 EFAA CC(=O)c1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1 5041996 XYLQJQJMDUACDA-UHFFFAOYSA-N 340.452 2.803 0 50 EFAA O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 5329469 QNEUANZXAMNFTD-UHFFFAOYSA-N 334.372 2.753 0 50 EFAA CC(C)(C)c1ccc(OC[C@H](O)C[S@](=O)c2ccccn2)cc1 5563104 LJMQGOKEKNJUKB-NPMXOYFQSA-N 333.453 2.927 0 50 EFAA O=C(NCCC1=CCCCC1)[C@H]1CCC(=O)N(Cc2ccccn2)C1 11666247 ULNFHUGXBVFCPZ-KRWDZBQOSA-N 341.455 2.827 0 50 EFAA COc1ccccc1CC(=O)N1CCC(CCC(=O)NC2CC2)CC1 11772151 CYWIZQKHZCIHCT-UHFFFAOYSA-N 344.455 2.535 0 50 EFAA c1ccc(N2CCN(c3ncccc3CNC3CCCC3)CC2)nc1 12437596 LDPBSTRSAAJNIE-UHFFFAOYSA-N 337.471 2.835 0 50 EFAA OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NC2CCCC2)CC1 12438753 ZOUKAUZMIBWDDG-KRWDZBQOSA-N 330.476 2.595 0 50 EFAA Cc1c(CC(=O)N2CCCC2)c2c(n1C[C@@H]1CCCO1)CCCC2=O 12442894 RPTUQTONSGHIMK-HNNXBMFYSA-N 344.455 2.659 0 50 EFAA CN(C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 15061893 OWRUKVOHGJXBFG-FQEVSTJZSA-N 348.462 2.944 0 50 EFAA Fc1ccccc1-c1cc(N2C[C@H]3CCCN[C@H]3C2)n2nccc2n1 247554763 XBTDCJTUCYUEEL-DYVFJYSZSA-N 337.402 2.724 0 50 EFAA C[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H](C)O1 19956779 DEQCLMVGATVMOO-NTZNESFSSA-N 334.243 2.842 0 50 EFAA NC(=O)c1ccc(NCc2ncnn2-c2ccccc2)cc1Cl 357338527 GCWTXXKCILJLQJ-UHFFFAOYSA-N 327.775 2.632 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cccnn3)CC2)cc1F 151563087 XCLBSAGGFYULLV-CQSZACIVSA-N 343.406 2.517 0 50 EFAA Cc1cc(Cl)cc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 154781738 IRBYCOHJVVPOLK-LLVKDONJSA-N 329.849 2.686 0 50 EFAA O=C(O)c1ccc(CNC(=O)N2CCC(C(F)(F)F)CC2)cc1 261844176 YXZCIQNIHMIFNJ-UHFFFAOYSA-N 330.306 2.869 0 50 EFAA CCOC(=O)c1cnc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)nc1C 904217699 MKPPSNMPQAQBBE-AWEZNQCLSA-N 329.404 2.643 0 50 EFAA Cc1nc(C2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)[nH]c1C 829681382 BXRHDQXDKSQPPL-UHFFFAOYSA-N 327.432 2.968 0 50 EFAA O=C(c1nncc2ccccc12)N(C[C@@H]1CCCO1)c1ccncc1 932681452 GMWTXWLAYDZAJU-INIZCTEOSA-N 334.379 2.851 0 50 EFAA Cn1nnc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1C(F)F 934804263 GAQUYSWINYKGNP-LLVKDONJSA-N 337.330 2.827 0 50 EFAA CN(C(=O)c1cccn(C2CC2)c1=O)c1cccc(Br)n1 875561251 NOHMNFIOEQPOQR-UHFFFAOYSA-N 348.200 2.617 0 50 EFAA Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)sn1 1875272106 CSKPDLLLVFEPDL-SNVBAGLBSA-N 338.458 2.691 0 50 EFAA C[C@]1(C(F)F)C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 1875310142 GCMSANPTNVRHQY-WQGACYEGSA-N 344.427 2.529 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C(C)C)C2(CO)CCC2)cc1 1875373936 VDHFKYREQIVMSH-GOSISDBHSA-N 344.455 2.752 0 50 EFAA CCc1nc(-c2cccc(NC(=O)NC[C@H]3CCCCN3C)c2)no1 1875301351 GKMQTGHCMJXAKL-OAHLLOKOSA-N 343.431 2.905 0 50 EFAA O=C(c1ncccc1O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 288225960 DZPDZBLVDSSGCW-FQEVSTJZSA-N 337.423 2.525 0 50 EFAA CCn1nncc1CN[C@H](C)c1ccc(OC)c(Br)c1 459433115 BLUWKIIXCZXCRN-SNVBAGLBSA-N 339.237 2.920 0 50 EFAA COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)cc2)cc1 104850 QHBHFAWXYGGLGG-MRXNPFEDSA-N 329.352 2.650 0 50 EFAA biogenic Cn1nc(C2CC2)nc1CC(=O)Nc1ncc([C@H]2CCCCO2)s1 2325782370 SUEMUXQGWCQTEX-LLVKDONJSA-N 347.444 2.572 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)NC1(C2CC2)CCCC1 2325827856 RXOCDGDNIKYXBD-KRWDZBQOSA-N 341.455 2.810 0 50 EFAA O=C1Nc2ccccc2[C@@]12OC[C@@H](COc1ccc(Cl)cc1)O2 307363 ZNRLOLUWIKRVBI-DYVFJYSZSA-N 331.755 2.939 0 50 EFAA O=C(CSc1ncnc2c1oc1ccccc12)NC[C@@H]1CCCO1 539477 DCJIBRWHLNNAIJ-NSHDSACASA-N 343.408 2.763 0 50 EFAA COC(=O)Cc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1 618714 CASFNAPORKLPRU-UHFFFAOYSA-N 327.336 2.580 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1072154 XHEPTZZZFBOOGH-KRWDZBQOSA-N 336.391 2.876 0 50 EFAA COc1ccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 1191966 CYHNLOIJPATEPS-INIZCTEOSA-N 343.404 2.653 0 50 EFAA CO[C@@H](C)c1n[nH]c(=Nc2cc(C(=O)O)c3ccccc3n2)s1 2356157680 QRVVWGYWXKPXMA-QMMMGPOBSA-N 330.369 2.657 0 50 EFAA CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 4554969 MEKITRDHCUNIOF-IBGZPJMESA-N 341.411 2.634 0 50 EFAA CCOc1ccc(NC(=O)CSc2nnc(CC)n2CC)cc1 6726906 WBXOVKCKIGFILJ-UHFFFAOYSA-N 334.445 2.990 0 50 EFAA Cc1n[nH]c(C)c1C(=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 55344290 YEMCNYMKXAMNCV-MRXNPFEDSA-N 331.391 2.987 0 50 EFAA COCC1(CNC(=O)N[C@H](C)c2cccc(Cl)c2)CCNCC1 416837523 XHHHJJNFDHAIRZ-CYBMUJFWSA-N 339.867 2.716 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)CSc2nccn2C)c1 53352793 NYEKUWJJHHVHME-OAHLLOKOSA-N 331.441 2.885 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)NCc1ccc(-n2cncn2)cc1 115030542 KQGOTXUIDLKKLD-LJQANCHMSA-N 348.406 2.588 0 50 EFAA CN(Cc1cccn1-c1ncccn1)C[C@H]1COc2ccccc2O1 65530164 KSZRJHYQAFTNQR-INIZCTEOSA-N 336.395 2.539 0 50 EFAA CC(C)C(=O)Nc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 65461311 INTDBQIUTZXRRV-RBUKOAKNSA-N 346.471 2.703 0 50 EFAA COc1cc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ncn1 345327733 IRVYLNQDWBALMC-CYBMUJFWSA-N 337.326 2.665 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 248107366 GICIWCBVGHNQDB-RBUKOAKNSA-N 338.455 2.630 0 50 EFAA CC(C)n1c(CCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21 136498912 APGXFYNLIVCMQF-UHFFFAOYSA-N 337.427 2.802 0 50 EFAA COCCN(Cc1ccccc1)C(=O)[C@@H]1OCCc2ccccc21 136602768 RHZMQJYCOHTKBC-LJQANCHMSA-N 325.408 2.976 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)N[C@H]1C[C@H]2CC[C@H]1O2 110681304 WDCMMHZHAXGEAR-SPUZQDLCSA-N 341.386 2.929 0 50 EFAA CCn1ncnc1CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425516532 NJCPLVBOJSZZFB-HNNXBMFYSA-N 327.432 2.981 0 50 EFAA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)cc1 4014674 PIQSBWMNNDGWPH-MRVPVSSYSA-N 340.095 2.643 0 50 EFAA Cc1ccc(CN2CCN(C(=O)c3cc(F)ccc3C)CC2=O)cc1 77320520 MKCDGMYXPJYHHF-UHFFFAOYSA-N 340.398 2.927 0 50 EFAA COc1ccc(C2(CNC(=O)CCc3ccnn3C)CCCC2)cc1 216400159 IFSYGSSBQBDGPM-UHFFFAOYSA-N 341.455 2.990 0 50 EFAA O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-n2cccn2)c1 77488101 RNVDUBNJGKNPKM-OAHLLOKOSA-N 341.436 2.515 0 50 EFAA N=C(O)c1ccc(C(=O)Nc2nc3ccc(Cl)nc3s2)nc1 328600091 VMLRDJQKPKCJQI-UHFFFAOYSA-N 333.760 2.875 0 50 EFAA CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)Cn1cc(Br)cn1 328627929 NEELTOKECWPWKX-YRGRVCCFSA-N 330.270 2.685 0 50 EFAA O=C(COc1ccccc1O)N1CCO[C@H](CC2CCCCC2)C1 71524095 YMTDAADFDUGWDG-MRXNPFEDSA-N 333.428 2.969 0 50 EFAA O=C([C@@H]1CCNC1)N1CCC[C@@H]1Cc1ccc(Br)cc1 153356789 ADEKDESWGLRTFH-UKRRQHHQSA-N 337.261 2.592 0 50 EFAA CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 130774267 XGAULZCOZIACLH-AWEZNQCLSA-N 334.464 2.610 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 262457906 XLTRZTQJAVLGHR-JOWJHRDDSA-N 349.452 2.927 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2)C1 72435939 INXDKACUEVNVDU-MRXNPFEDSA-N 340.475 2.580 0 50 EFAA O=C(CC1CCCC1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 219688878 OFMOJCDYCWCCQO-HXUWFJFHSA-N 339.439 2.887 0 50 EFAA CN(C)C/C=C/C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 374747217 DETPUUICOFBBJO-PXTSUWAFSA-N 342.361 2.723 0 50 EFAA O=C1CCN(C[C@H](O)COCc2ccccc2)c2ccc(F)cc2N1 126904359 SIAMCMQNJZSXMP-INIZCTEOSA-N 344.386 2.552 0 50 EFAA COC[C@H](C)n1c(CCCC(=O)N2CCCCC2)nc2cccnc21 77503767 WOTRIOOEMFCKQO-HNNXBMFYSA-N 344.459 2.974 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@H](C(=O)O)C1 237740654 DXTRONDOMWDIGI-ZDUSSCGKSA-N 345.374 2.565 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 377107256 XDBIPHMPDGHWSC-CQSZACIVSA-N 326.396 2.826 0 50 EFAA O=C(N[C@H]1COc2c(Cl)cccc21)c1ccnc(-n2ccnc2)c1 378101060 MCVOZFIVDJZRDN-AWEZNQCLSA-N 340.770 2.784 0 50 EFAA Cn1c(CN[C@@H]2CCc3ccccc3OC2)nnc1-c1ccccc1 338322726 IPYYBRUDECFFPB-QGZVFWFLSA-N 334.423 2.966 0 50 EFAA CCC(C)(C)NC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 378560276 RPKXGMIZUKMTCQ-CQSZACIVSA-N 345.422 2.887 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1OC 282641354 UCHUCVLBBJXADG-HOTGVXAUSA-N 345.370 2.791 0 50 EFAA COc1cc(Cl)ccc1CN1CCN(C)[C@@H](c2nc(C)no2)C1 284935098 QFOMGASRNCJHTK-CQSZACIVSA-N 336.823 2.529 0 50 EFAA OCCn1ccc([C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)n1 426425205 IVQXLHJQPCMHRD-CQSZACIVSA-N 346.500 2.590 0 50 EFAA COc1cccc(-n2c(CN)nnc2SCC[C@H]2CC2(F)F)c1 426358247 GSSJZBYNECXHKW-JTQLQIEISA-N 340.399 2.872 0 50 EFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2ccncc2C)C1(C)C 220701451 NIQJOPDTTSFZFE-BEFAXECRSA-N 331.460 2.585 0 50 EFAA CC(C)OC(=O)[C@H](C)CNC(=O)c1c(F)cccc1Br 176942196 TZTDJHQONYZEPC-SECBINFHSA-N 346.196 2.906 0 50 EFAA Cn1ccc(NC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)n1 161750718 OCHLCFFYTSCXFL-QFIPXVFZSA-N 332.307 2.692 0 50 EFAA COc1ccccc1N1CCC(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)CC1 91894243 RYGHOKOOYWADRF-DLBZAZTESA-N 344.455 2.707 0 50 EFAA CNCc1nnc(SC[C@@H]2CCOC2)n1-c1cccc(Cl)c1 426361839 UZYXNXWRXJBMQH-LLVKDONJSA-N 338.864 2.769 0 50 EFAA CCC(CO)(CO)NCCOC(c1ccccc1)c1ccccc1 96026378 AOKYIXJKCWGFFD-UHFFFAOYSA-N 329.440 2.516 0 50 EFAA CSc1ccc(NC(=O)N2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 96180576 VFBQYFKJECGHAQ-IRXDYDNUSA-N 349.500 2.862 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCCCN1C 97259140 DIDUGCSOLHNYPX-GOSISDBHSA-N 326.440 2.991 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)cc2OC)C1 22591472 ZTHWQKUIIGODDC-INIZCTEOSA-N 334.460 2.784 0 50 EFAA CN1CCN(CCCCCF)C[C@]12CCC(=O)N(CC1CC1)CC2 230181065 IKYUCSJAUOBWKB-LJQANCHMSA-N 339.499 2.535 0 50 EFAA CC1(C)C[C@@H](CN2CCN(c3ccc(C(=O)O)cc3)CC2)CCO1 97636579 RLGLDSVWNDKQAY-HNNXBMFYSA-N 332.444 2.712 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)C1CCN(Cc2ccco2)CC1 95381122 JBLLFZZKNHYTHF-QGZVFWFLSA-N 334.460 2.909 0 50 EFAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCCC1)c1cccnc1O 244601984 DVPSZFAHDSOITI-QGZVFWFLSA-N 343.402 2.883 0 50 EFAA COCc1nc(NCc2cc(C(C)C)on2)cc([C@H]2C[C@H](N)C2)n1 244700970 JXKIRFFNRXRRPE-HAQNSBGRSA-N 331.420 2.551 0 50 EFAA C[C@@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1cccnc1 184055762 SMEPCLGKKUMKBN-OAHLLOKOSA-N 342.414 2.920 0 50 EFAA CC(C)c1nc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cs1 252488227 INXNIEFJAFVPGJ-CYBMUJFWSA-N 345.472 2.703 0 50 EFAA Cc1cccc(C)c1-n1nnnc1Cn1cnc2c1C[C@@H](C)[C@H](C)C2 295674996 BQJQVFRXDDAZHO-HUUCEWRRSA-N 336.443 2.895 0 50 EFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCC2 252533051 FUCRREZIFYXCMO-MISYRCLQSA-N 336.435 2.682 0 50 EFAA CCCCc1noc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 183543146 YDZDJGWVFPSGNC-INIZCTEOSA-N 348.834 2.739 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 299741877 HLZPDHDBJJHHAW-XHDPSFHLSA-N 337.803 2.747 0 50 EFAA Cn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1-c1ccc(F)cc1 299743618 LSABORAZVXUCAM-GOSISDBHSA-N 330.359 2.768 0 50 EFAA C[C@@H](NC(=O)N1CCOc2ccc(CO)cc2C1)c1ccsc1 534671713 CWBHBLFRZZUBEM-GFCCVEGCSA-N 332.425 2.906 0 50 EFAA CN1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@@H](c2ccccc2)C1 185043749 RTISAALRWXYSQI-LJQANCHMSA-N 337.427 2.564 0 50 EFAA C[C@H](CCC(=O)NCc1nc(C(C)(C)C)cs1)N1CCOCC1 299793677 HKNWLQAHBMHZRS-CYBMUJFWSA-N 339.505 2.558 0 50 EFAA COCc1nc([C@H]2CCCCCN2C)n(-c2ccccc2C(=O)O)n1 670474209 OPSRMBXDBTWEEE-OAHLLOKOSA-N 344.415 2.659 0 50 EFAA Cc1nc([C@](C)(NC(=O)c2ccc(OCC3CC3)nc2)C2CC2)no1 1412126767 CMGGGEQBFSKLOI-GOSISDBHSA-N 342.399 2.617 0 50 EFAA Cc1onc(-c2cccs2)c1C(=O)NCc1nnc(C2CC2)o1 1335877580 UTBSDFMMNSZXDS-UHFFFAOYSA-N 330.369 2.902 0 50 EFAA Cc1cc(C)c(C)c(OCCN(C)C(=O)CCCn2cncn2)c1 952972284 ZQTQOYGGWZCQQL-UHFFFAOYSA-N 330.432 2.521 0 50 EFAA CC(=O)c1ncc(C(=O)Nc2cccc(-c3nncn3C)c2C)s1 952973088 XYJDCUZTXJXPMA-UHFFFAOYSA-N 341.396 2.702 0 50 EFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)[nH]1 1565508137 OIPLSCVNWYFUAL-RDJZCZTQSA-N 340.475 2.643 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)cs1 1565511517 KDPVOZJTYDDYMI-HIFRSBDPSA-N 342.468 2.842 0 50 EFAA COCCCCCNC(=O)N[C@H](c1cccs1)C(C)(C)CO 408524828 ZRRISLNUBRXXHT-CQSZACIVSA-N 328.478 2.924 0 50 EFAA C[C@H]1N(C(=O)C(C)(C)NC(=O)c2ccccc2)CCC12CCOCC2 408196334 BLKVGCMWOUPMME-OAHLLOKOSA-N 344.455 2.613 0 50 EFAA Cc1cccc2c(O)c(C(=O)N3CCC(c4ccn[nH]4)CC3)cnc12 163881674 CTABHUMPWKDRQG-UHFFFAOYSA-N 336.395 2.992 0 50 EFAA Cc1cc(F)ccc1N1CCC[C@@H](Nc2cncc3ncnn23)C1 679928961 QUWAERCIZMLLJM-CQSZACIVSA-N 326.379 2.653 0 50 EFAA CCNC(=O)N1CC[C@H](NC(=O)c2coc3cc(C)c(C)cc23)C1 186404350 JBUWATPZISHFJR-ZDUSSCGKSA-N 329.400 2.583 0 50 EFAA CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)C1(C)C 681940873 WRRRZVMFKZPCHP-IOTAOYMUSA-N 348.487 2.669 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H](C)c1cccs1 275327983 PVFPIYKJFJVBPC-NKFCBESUSA-N 333.457 2.848 0 50 EFAA CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](COCC)C(C)C 170608893 UTEUMERLLRWSNP-ROUUACIJSA-N 348.487 2.691 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2C)cc1Br 190995453 DTXLHDZTRMWZEW-CMPLNLGQSA-N 342.233 2.889 0 50 EFAA Cc1ccc(OC2CCN([C@H](C)c3nc(C)cc(O)n3)CC2)nc1 192720852 BAMCSBABXJYIIB-CQSZACIVSA-N 328.416 2.798 0 50 EFAA O=C1C[C@H](C(=O)NC[C@@H]2CCc3ccccc3C2)[C@@H]2CCCC[C@H]2N1 668860901 TVJLSIUOCJTCOL-GRGSLBFTSA-N 340.467 2.603 0 50 EFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 470147 RXFLHECGAOKCJX-UHFFFAOYSA-N 331.802 2.989 0 50 EFAA Cc1ccc(NC2(C(=O)N[C@H]3CCCCNC3=O)CCCCC2)cc1 1506418498 ZFTZBIAROPJNAD-KRWDZBQOSA-N 343.471 2.895 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)C3(c4ccc(C)cc4)CC3)CCN12 1529167719 MTUKZJSVLRHBIA-RBUKOAKNSA-N 342.483 2.738 0 50 EFAA 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2.873 0 50 EFAA O=C1CCC[C@@H]2CN(C(=O)c3c(Cl)oc4ccccc34)C[C@H]2N1 2325782566 IABWMAFCPGXFJE-ZYHUDNBSSA-N 332.787 2.827 0 50 EFAA C[C@@H](NCCn1cnc2sccc2c1=O)c1cccc2[nH]ncc12 2325858653 WBFJCVMNHXOECP-LLVKDONJSA-N 339.424 2.685 0 50 EFAA Cc1nc(N2CC(c3n[nH]c(C)n3)C2)c2c3c(sc2n1)CCC3 895328552 FZDJKNNVUDSOKD-UHFFFAOYSA-N 326.429 2.519 0 50 EFAA Cc1cn2c(CNC(=O)c3cnn4ccccc34)c(C)nc2s1 1450141054 IJZJSTRTJJONCQ-UHFFFAOYSA-N 325.397 2.590 0 50 EFAA CC(C)[C@H](Nc1cccc(Br)c1)N1C(=O)CCC1=O 292601 RLFUTMDQEZHSNR-CQSZACIVSA-N 325.206 2.992 0 50 EFAA CN(Cc1nc(O)c2sccc2n1)C(=O)c1cccc2c1COC2 2356136043 FDXLBNBXEIZAPY-UHFFFAOYSA-N 341.392 2.699 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)c2cc(-c3ccccc3)no2)C1=O 2356151908 GGPWAQHIGRKCRE-IBGZPJMESA-N 339.395 2.569 0 50 EFAA Cc1ccccc1OCC(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356156698 NAWAUFACRPCAMD-FQEVSTJZSA-N 342.439 2.520 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)Cc2ccc(OC)cc2)C1=O 2356163412 BNSOCCBKJFOHHE-FQEVSTJZSA-N 344.455 2.631 0 50 EFAA O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(F)cc1F 4808889 RUZFFQCTFWISSZ-UHFFFAOYSA-N 339.363 2.908 0 50 EFAA Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1 6320478 GVBJVVUWHOJWMO-UHFFFAOYSA-N 347.425 2.551 0 50 EFAA CCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 6706900 NUDZZGGPQMIUGW-UHFFFAOYSA-N 345.376 2.993 0 50 EFAA CS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@](C)(O)c1ccc(C)o1 221807724 YSQSDERERVLZNG-WOSRLPQWSA-N 326.462 2.769 0 50 EFAA CNc1nc(C)c(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)s1 55404410 WLHZFOPXIMKOSQ-AWEZNQCLSA-N 346.456 2.710 0 50 EFAA CC[C@H](NC(=O)CCNC(=O)c1ccccc1F)c1cc(C)ccn1 55042285 JXPZITOCJQLPDH-INIZCTEOSA-N 343.402 2.917 0 50 EFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(c2ncnc3nc[nH]c23)C1 225460864 UIJNOCVHZDYAEL-CABZTGNLSA-N 349.316 2.684 0 50 EFAA COc1ccccc1OCc1ccc(C(=O)Nc2ccn(C)n2)o1 2794707 IPXLAMCIRWSXOJ-UHFFFAOYSA-N 327.340 2.853 0 50 EFAA O=C(c1cc2ccccc2oc1=O)N(C/C=C/c1ccccc1)CCO 55282954 XMFYBTLKCDQVPR-RMKNXTFCSA-N 349.386 2.941 0 50 EFAA CCc1oc(C(=O)N(C)Cc2nonc2C)cc1CN(CC)CC 55369979 PHZCDXDCKQSDTO-UHFFFAOYSA-N 334.420 2.647 0 50 EFAA Cc1n[nH]c(CCC(=O)N(C)CCCOc2ccc(C)c(C)c2)n1 55099838 QMRZGAISBDTIPC-UHFFFAOYSA-N 330.432 2.590 0 50 EFAA CO[C@H](C)C(=O)Nc1cccc(NC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 246477010 ASNZXCKJZMVRCD-BFPXCNAZSA-N 343.427 2.826 0 50 EFAA Cn1nc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c2ccccc21 170613328 BVNOCQFUEAJMIL-ZBFHGGJFSA-N 326.444 2.568 0 50 EFAA CCCn1ncc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1C 65526526 WBTYZPKNTRKKSJ-QGZVFWFLSA-N 342.443 2.818 0 50 EFAA CC(C)n1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cn1 112284718 FIEXQFRCEHQEQR-JKSUJKDBSA-N 332.448 2.831 0 50 EFAA Cc1nnc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)s1 23505052 JZEOASFEALOQEE-UHFFFAOYSA-N 345.472 2.880 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1csc(C(C)C)n1)C2 67956028 JVHAKIPTAPUOHK-NSHDSACASA-N 348.472 2.828 0 50 EFAA Cc1cc(-c2cccc(-c3ccn(CCCO)n3)c2)nc(N(C)C)n1 23540871 VPPRSAZSZCVXRT-UHFFFAOYSA-N 337.427 2.764 0 50 EFAA COc1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 65364708 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Cc1ccccc1CN1CCC(NC(=O)c2cccc(CN)c2)CC1 242047793 VQEPPLLKSBRYML-UHFFFAOYSA-N 337.467 2.848 0 50 EFAA Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ncnn1C(C)(C)C 283333767 ZSCWNZIEALNTOI-HNNXBMFYSA-N 344.463 2.808 0 50 EFAA O=C(C1=COCCO1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 131554620 BEBHWGCTWVRUAB-IAGOWNOFSA-N 331.412 2.770 0 50 EFAA CC(C)CNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 49549385 PDKBEBWVTYLSGF-UHFFFAOYSA-N 335.407 2.836 0 50 EFAA Cc1cc(N2CC[C@@H](Oc3cccnc3)C2)nc(-c2ccncc2)n1 131792923 WLSFQQFYLAJJFN-QGZVFWFLSA-N 333.395 2.900 0 50 EFAA O=C(NCCc1ccc2ccccc2c1)c1ccc2nc(O)[nH]c2n1 339434054 OHLGIZRRVKBUOU-UHFFFAOYSA-N 332.363 2.789 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Cl)c3cccnc23)N(C)C1 284776432 XVSGLQUBXLJMSI-STQMWFEESA-N 347.846 2.679 0 50 EFAA CCCOC1(CNC(=O)c2ccc3c(c2)nnn3C)CCCCC1 177404058 FLMAVEDTWXBDTO-UHFFFAOYSA-N 330.432 2.828 0 50 EFAA Cc1ccc2nc(CNC(=O)N(C)CCc3c(C)n[nH]c3C)[nH]c2c1 426429770 HUXCXLMXUTYFLO-UHFFFAOYSA-N 340.431 2.595 0 50 EFAA Cn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)c2ccccc21 91679795 QQUAWPQDOIZAQU-DOTOQJQBSA-N 349.390 2.514 0 50 EFAA CCNC(=O)N1CCc2ccc(NC3CCC4(CC3)OCCO4)cc21 161812243 UPAIMWXSRWHWLP-UHFFFAOYSA-N 345.443 2.876 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCOc2ccncc21 178388457 XBOISSQHIGCTGQ-UHFFFAOYSA-N 325.324 2.606 0 50 EFAA CCN1C[C@H](C(=O)NCC2(c3ccccc3F)CCCC2)CC1=O 95361192 WVBJPFIGNPTVOI-CQSZACIVSA-N 332.419 2.622 0 50 EFAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cn2ccsc2n1 97679883 UTUDASGCFYKFHJ-OAHLLOKOSA-N 340.452 2.615 0 50 EFAA O=C(c1cc2c(s1)CCOC2)N1CC[C@](CO)(c2ccccc2)C1 291161035 JCFOQXLVMTWLGD-IBGZPJMESA-N 343.448 2.597 0 50 EFAA CC(C)(C)c1n[nH]cc1CNC[C@@H]1CC(=O)N(Cc2ccccc2)C1 179053770 ZPZBKFQZRKXFSS-INIZCTEOSA-N 340.471 2.846 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)C1 95385530 GOOUTKJVDFXAHO-IBGZPJMESA-N 342.483 2.945 0 50 EFAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C2CCCCCC2)C1 92065846 SQSKNQNHDZEACW-MRXNPFEDSA-N 342.491 2.962 0 50 EFAA Cc1ccnc(-c2ccc(NC(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)n1 163203068 HKPZDQMBGOBUCF-MRXNPFEDSA-N 348.410 2.854 0 50 EFAA Cn1c(=O)oc2ccc(NC(=O)N3CCC[C@H]3c3nccs3)cc21 95506024 LPKZLXUPVZDQRW-NSHDSACASA-N 344.396 2.957 0 50 EFAA Cc1nc(C)c(CC(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)s1 244894062 YZHHQJSBELFUTP-OZVIIMIRSA-N 336.482 2.992 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN([C@H](C(N)=O)c3ccccc3)C1)CCCC2 299739737 AMFYWZGLMARCLO-APWZRJJASA-N 338.455 2.544 0 50 EFAA Cc1ccc2nc(C(=O)N(CC3CC3)C[C@@H]3CCCO3)c(F)n2c1 299768254 JMACVNBCKPPUAH-AWEZNQCLSA-N 331.391 2.813 0 50 EFAA COc1ccc(C[C@H](N)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1 824673665 VOWUPJYZWWLRQS-INIZCTEOSA-N 347.846 2.923 0 50 EFAA O=C(Cc1cccnc1)NC[C@H]1CCCN(Cc2ccsc2)C1 827854370 NZKZYIOQCQGGIA-MRXNPFEDSA-N 329.469 2.714 0 50 EFAA CN(C)CC[C@H](NC(=O)N1CC(c2ccccn2)C1)c1ccccc1 584898409 CWARKSCGLLHOTI-IBGZPJMESA-N 338.455 2.883 0 50 EFAA CCCCn1nc(Cc2ccccc2OC)nc1[C@H]1CCC(=O)N1 670440583 NGLOTOVYMNPLDQ-CQSZACIVSA-N 328.416 2.629 0 50 EFAA CCCn1cnnc1CNCc1cc(F)ccc1-n1nc(C)cc1C 952989648 RNUIFCQMSGHZQJ-UHFFFAOYSA-N 342.422 2.920 0 50 EFAA Cn1cccc1-c1cc(C(=O)NCCCc2nc3ccccc3[nH]2)n[nH]1 952977343 PVRSSTSEMHPOJI-UHFFFAOYSA-N 348.410 2.654 0 50 EFAA CCc1nn(C)cc1NC(=O)NCc1nc2ccccc2n1C1CC1 408515985 VNHYGHKHLRPNHG-UHFFFAOYSA-N 338.415 2.989 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@](O)(C(F)F)C1 408519950 XJKPWMWANSWPIZ-LJQANCHMSA-N 345.345 2.760 0 50 EFAA Cc1ccccc1CN(CCCS(C)(=O)=O)Cc1ccccn1 408522764 DDEHJCQZTRAEDU-UHFFFAOYSA-N 332.469 2.827 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)n1 170601275 JJOFWWOXDSSAIV-QWHCGFSZSA-N 349.431 2.608 0 50 EFAA O=C(NC1CCC(O)(c2cccnc2)CC1)c1cnc2ccccc2n1 187309315 STRHDWVWLWVDAU-UHFFFAOYSA-N 348.406 2.585 0 50 EFAA O=C(NCc1nc2cccnc2[nH]1)[C@H]1CCCCN1Cc1ccccc1 188749749 WVBIPHBMTOQKTG-QGZVFWFLSA-N 349.438 2.629 0 50 EFAA CCCN1CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1=O 189401062 ISJOISVZIQAYQS-UHFFFAOYSA-N 346.862 2.970 0 50 EFAA C[C@H](Cc1ccc(NC(=O)c2ccc([S@@](C)=O)cc2)cc1)C(=O)O 191441284 CXRJPEPYAZEHBI-OIRASMEMSA-N 345.420 2.940 0 50 EFAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)C1(O)CCCC1 193005069 OUWCZWVQTIZGBM-UHFFFAOYSA-N 328.334 2.808 0 50 EFAA Cc1c(Br)ccc(NC(=O)Cc2cnn(C)c2)c1F 194794349 BVXTWOPOMHUJAX-UHFFFAOYSA-N 326.169 2.811 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)CNC(=O)CC1CCCCC1 195371485 PWHKRAYEISDURT-UHFFFAOYSA-N 330.428 2.671 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3)C2)CCO1 195556379 FYBWMCVRSYFLOX-GUDVDZBRSA-N 330.472 2.972 0 50 EFAA Cn1ncc(Br)c1C(=O)NC1C2CC3CC(C2)CC1C3 376123 YQODBGJQHPDSMQ-UHFFFAOYSA-N 338.249 2.737 0 50 EFAA O=C(c1ccc2nn[nH]c2c1)N1CCC([C@@H](O)c2cccs2)CC1 1506402912 QEGXEUPJPYMHFL-MRXNPFEDSA-N 342.424 2.605 0 50 EFAA c1ccc(CC[C@@]23CNC[C@H]2CN(C2CSCCSC2)C3)cc1 1772706033 OGSFAIWPFFJWCD-HKUYNNGSSA-N 348.581 2.989 0 50 EFAA CC(C)C(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11838728 GNWDAMQJXIFKKB-IBGZPJMESA-N 332.419 2.823 0 50 EFAA C[C@]1(c2nc(-c3ccccc3)no2)CCCN(C(=O)c2cnccn2)C1 169751145 HTCAESYZSVKOAD-IBGZPJMESA-N 349.394 2.721 0 50 EFAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F 123295044 IOYXZIMOFWLSPY-ZIAGYGMSSA-N 341.448 2.601 0 50 EFAA C[C@@H](c1ccccc1)[C@H](CNC(=O)CC1CC1)NC(=O)CC1CC1 408523676 UPCXDTHTQUVXCH-KSSFIOAISA-N 328.456 2.991 0 50 EFAA CCC[C@@H]1CN(C(=O)NCc2ccnc(OCC3CC3)c2)CCO1 119147082 GEOGFJUPBQXBNY-MRXNPFEDSA-N 333.432 2.581 0 50 EFAA CC(C)CC[C@]1(C2CCN(Cc3ccccc3)CC2)NC(=O)NC1=O 11910463 XADGWIRSTHOBFF-HXUWFJFHSA-N 343.471 2.913 0 50 EFAA CC(C)c1ccccc1NC(=O)CN1CC[C@@H](O)[C@@]12CCSC2 1875267325 UYHRGEOIRXMNGD-AEFFLSMTSA-N 334.485 2.691 0 50 EFAA Cc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@](C)(CO)C2)C(F)(F)F)o1 667300757 ZBCMJZZDETVMRC-LQJRIPTKSA-N 334.338 2.851 0 50 EFAA Cc1ccccc1NC(=O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 375310939 UNVRTKPMXCRVEJ-FQEVSTJZSA-N 335.407 2.529 0 50 EFAA CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 263474824 YYHQRBFOZVWIGJ-OAHLLOKOSA-N 342.399 2.577 0 50 EFAA COc1ccc(Cl)cc1N1CC[C@H](Nc2ncnc3nc[nH]c23)C1 263931833 WQKSWGBMKFHWRE-NSHDSACASA-N 344.806 2.706 0 50 EFAA CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC2CCOCC2)C1=O 265290242 CBBKWUXIRDLGRH-KRWDZBQOSA-N 336.819 2.924 0 50 EFAA O=C(CN1Cc2ccccc2C1=O)N1CC[C@@H](Cc2ccccc2)C1 266040339 CFLOGTRSYCLQER-KRWDZBQOSA-N 334.419 2.734 0 50 EFAA Cc1nc2n(n1)C[C@H](C(=O)N1CCCc3cc(Cl)cc(F)c31)CC2 903263076 IWOZPUCDLLKIOA-GFCCVEGCSA-N 348.809 2.921 0 50 EFAA O=C(c1cccn(C2CC2)c1=O)N1CC(Cc2ccc(F)c(F)c2)C1 866462419 MSMCUBNXLANHII-UHFFFAOYSA-N 344.361 2.776 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNc3cc(C(F)(F)F)ccn3)C2)n1 952890254 VWDYCZRXTSWJTO-HOSYDEDBSA-N 342.321 2.758 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1875273978 QZNLIGODBDGZHO-OSNAKNMZSA-N 327.371 2.962 0 50 EFAA COc1cc(OC)c(C[S@](=O)[C@@H]2CCc3ccccc3C2)cn1 1875309529 BEFWRQCADUZLPV-MWTRTKDXSA-N 331.437 2.905 0 50 EFAA Cc1cc(N2CCC[C@]3(C=Cc4ccccc4O3)C2)n2ncnc2n1 896886074 PJHJXWOXEXAHMO-IBGZPJMESA-N 333.395 2.878 0 50 EFAA C[C@@H](CCc1ccccc1)NS(=O)(=O)CC[C@H]1CCCOC1 1775989362 LYKRJNTZZZQCES-DOTOQJQBSA-N 325.474 2.744 0 50 EFAA Cc1cn2c(n1)CC[C@H](C(=O)Nc1cnn(Cc3ccccc3)c1)C2 1775998287 VBVKRILWSGLKRF-INIZCTEOSA-N 335.411 2.637 0 50 EFAA Cn1cc(CN2CCC3(CCN(Cc4ccccc4)CC3)CC2)nn1 639724425 CAZDDUONCHCFOK-UHFFFAOYSA-N 339.487 2.693 0 50 EFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100554848 CJHCKMAHZWXDJW-UOJUARBOSA-N 346.814 2.557 0 50 EFAA CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O 19322902 WDNATTHZWMJSSE-UHFFFAOYSA-N 335.245 2.674 0 50 EFAA biogenic CN1CCN(c2cccc(-c3ncccn3)n2)C[C@@H]1Cc1ccccc1 2325802330 ADDDYPVWNLOFSU-SFHVURJKSA-N 345.450 2.902 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnc1N1CCCCC1 248130557 NCESFXFEGSCXSU-ZWKOTPCHSA-N 342.487 2.771 0 50 EFAA O=C(c1cccnc1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 69797 SUYMDQIIVHEGDV-BXUZGUMPSA-N 327.306 2.725 0 50 EFAA CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(C)cc1 247766 HYRHGRFQWVPUFG-UHFFFAOYSA-N 347.392 2.662 0 50 EFAA CCn1cc([C@@H](C)NC(=O)Nc2ccccc2C(=O)OC)c(C)n1 621498 MACPLJGPQURFIW-LLVKDONJSA-N 330.388 2.881 0 50 EFAA COc1ccc(-c2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 1204630 BYORGJZNSDWDNL-UHFFFAOYSA-N 327.409 2.726 0 50 EFAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1cccc2cccnc12 2356146281 ZEZVBRVFXWKYKY-UHFFFAOYSA-N 335.411 2.742 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc4c(nc3OC)CCC4)C[C@H]21 2356150834 BJNKOHMJSSYVAA-NBQZKYEYSA-N 344.455 2.592 0 50 EFAA CCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O 2873919 NXQGPBOYSFQDRC-UHFFFAOYSA-N 338.363 2.959 0 50 EFAA CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3551759 YHUSGRKDGDEEFS-UHFFFAOYSA-N 338.473 2.780 0 50 EFAA CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCOC1 340923341 RISHRUIBGRODDW-MRXNPFEDSA-N 343.427 2.912 0 50 EFAA COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708204 FOZUHZKOAJIAPI-UHFFFAOYSA-N 346.408 2.623 0 50 EFAA COc1ccccc1N1C(=O)C[C@@H](Sc2nc(C)cc(C)n2)C1=O 100115782 MRGWLTFYAOXDIN-CQSZACIVSA-N 343.408 2.526 0 50 EFAA COc1ccc(OC)c(CN(CCO)C(=O)C[C@@H]2CC[C@H](C)C2)c1 133971244 UWYUHYKKKLWFAV-LSDHHAIUSA-N 335.444 2.851 0 50 EFAA NC1(C(=O)N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CCC1 67955278 YIWGYZGHWOWXGB-MRXNPFEDSA-N 338.455 2.588 0 50 EFAA COc1ccc2c(c1)[C@H](NCc1ccnc(N(C)C)n1)CCCO2 344292137 FHCXACRLDTYRBZ-MRXNPFEDSA-N 328.416 2.555 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)CN(C)C)[nH]c2-c2ccccn2)cc1 67880956 XRXYNLSXUUHGEV-UHFFFAOYSA-N 349.438 2.625 0 50 EFAA C[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)n1ccnc1 67756725 HMJOVSFKOHWXCG-LBPRGKRZSA-N 340.358 2.823 0 50 EFAA Cc1ccc2oc(C(=O)N[C@H](C(=O)O)c3c(C)n[nH]c3C)c(C)c2c1 67817019 VOESYUUQSCZYML-HNNXBMFYSA-N 341.367 2.945 0 50 EFAA c1ccc2c(c1)CC[C@@H](n1ccnc1-c1cc3n(n1)CCCNC3)C2 72468971 RSCMWKVEPZWHMI-QGZVFWFLSA-N 333.439 2.970 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 229379226 NDQYIDDWYIHUQL-RCCFBDPRSA-N 329.371 2.788 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](n2ccnc2)C1 65526925 OBJYILJBUYTGPY-SFHVURJKSA-N 349.438 2.702 0 50 EFAA O=C(NCCc1nc(-c2ccccc2)cs1)C(=O)c1ccco1 216374861 DNXAZJYLPHYBOJ-UHFFFAOYSA-N 326.377 2.945 0 50 EFAA CCNC(=O)[C@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 142643613 NJMDUXRNRZNZFS-NSHDSACASA-N 340.349 2.505 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCCN1 67755713 MKXQDOCEJNQPKP-AWEZNQCLSA-N 333.338 2.520 0 50 EFAA Cc1cc(C(=O)N2CCNC[C@H]2C)cc(C)c1OCc1cccnc1 124595696 BJCLIEXELKKYMU-MRXNPFEDSA-N 339.439 2.711 0 50 EFAA COc1ccc(CCNC(=O)c2cc(C)nc3onc(C)c23)cc1 36354558 VMMQPCWGYGLNKS-UHFFFAOYSA-N 325.368 2.821 0 50 EFAA Cc1cccc(N2CCN(C(=O)CC[C@H]3CCCOC3)[C@H](C)C2)n1 252673387 RDHWLNOJRVWNMQ-IAGOWNOFSA-N 331.460 2.634 0 50 EFAA CC(C)CC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72411584 WOQWLQHWMONTNG-MRXNPFEDSA-N 347.507 2.553 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1cccc(OC2CCCC2)c1 76124863 JFCDPAXDKNZCDB-UHFFFAOYSA-N 347.459 2.852 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2Cc3cncnc3C2)c2c1CCC2 328597115 DOVLKUQMOUDOHX-UHFFFAOYSA-N 345.406 2.615 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 328587925 KBKXPVSBXGLEKD-OAHLLOKOSA-N 340.431 2.790 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cccs1 328640986 XSMOCEUXZBSZSR-XJKSGUPXSA-N 332.473 2.637 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@H](Oc2ccccc2)C1 253432622 LRXNITJZMWWFEI-ZDUSSCGKSA-N 337.301 2.789 0 50 EFAA O=C(Nc1cccc2c1OCC[C@H]2O)c1ccnn1-c1ccccc1 253420974 OCINCCHCFLLRTO-QGZVFWFLSA-N 335.363 2.941 0 50 EFAA O=C(CSc1cccc[n+]1[O-])NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 123087461 DHSPFOASQBDPIJ-FRQCXROJSA-N 340.448 2.504 0 50 EFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)NCCc1ccccc1 72171229 ZALYPIQNZXRRGL-SFHVURJKSA-N 343.471 2.806 0 50 EFAA Cn1c(CN2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)nnc1C1CC1 366919080 BGRYMQFCKUIFMK-WTANOLMUSA-N 330.476 2.862 0 50 EFAA O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](Cn2cncn2)C1 127019390 QPGUMAVVTZQMHJ-MRXNPFEDSA-N 335.411 2.621 0 50 EFAA O=C(Cn1ccc2c(Cl)cccc21)N1CCC2(CC1)OCCO2 32102245 ZAPSMMDORYMJIY-UHFFFAOYSA-N 334.803 2.660 0 50 EFAA CCn1nc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c2ccccc21 369144889 PIZFVQJHMRSIJI-SFHVURJKSA-N 339.443 2.725 0 50 EFAA O=C(C[C@@H]1C=CCC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72438891 PBVUOXUJFUBVNR-OAHLLOKOSA-N 329.396 2.868 0 50 EFAA O=C(C1CCC1)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 215079715 MSNSPMQRHIHKEM-SFHVURJKSA-N 326.440 2.577 0 50 EFAA O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCn2cnnc2C1 156913812 XHTSIZLLMUVPML-UHFFFAOYSA-N 330.697 2.606 0 50 EFAA CCn1c(C)ccc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1=O 216137563 WOPHRTSAFRVCND-UHFFFAOYSA-N 332.350 2.874 0 50 EFAA NC[C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 72126331 QNTPURFVQXIKBH-OAHLLOKOSA-N 335.411 2.507 0 50 EFAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)CCn3cccc3)CC[C@H]21 72479222 RDBSPPNBVUANDZ-ZWKOTPCHSA-N 345.487 2.764 0 50 EFAA CCc1nc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3)no2)o1 72408059 DWEGCQRFXKKXFI-UHFFFAOYSA-N 326.356 2.868 0 50 EFAA CC(=O)Nc1ccccc1CC(=O)NCCOc1cccc(C)c1 240551687 GVKAYSWBAYLPGZ-UHFFFAOYSA-N 326.396 2.691 0 50 EFAA CC(C)c1nccc(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)n1 426428972 NOEZYHUFOMEUMX-NSHDSACASA-N 338.371 2.536 0 50 EFAA CN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1CCO 220241939 RYCJIFJOPVGXJE-IBGZPJMESA-N 342.414 2.631 0 50 EFAA O=C(O)c1cccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1 91643420 KMJXPAVRBAZFTQ-DLBZAZTESA-N 325.364 2.685 0 50 EFAA CS(=O)(=O)Cc1ccc(NC[C@@H]2CCOc3ccccc3C2)nc1 97499653 XWGXOTITSSEKMX-CQSZACIVSA-N 346.452 2.680 0 50 EFAA Cc1cc(C)n(CCCNC(=O)[C@H](c2ccccc2C)N(C)C)n1 91624639 IZRXBDSWUWXRIR-SFHVURJKSA-N 328.460 2.618 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCN(C)C2)n1 95378904 ZMAMDDMYKUPAKI-GFCCVEGCSA-N 344.381 2.542 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@@H](c1cccnc1)N1CCCC1 97272417 NFUGQBQLUIRDMI-MRXNPFEDSA-N 345.472 2.510 0 50 EFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CP3c2ccccc2)cc1 98042891 BWXYDSDVFPJTFY-TWMUNHRGSA-N 345.404 2.948 0 50 EFAA O=C(NC[C@@H]1CCCN(c2ccccn2)C1)Nc1ccc(F)nc1 96132604 ABBIWFNAESTPLQ-ZDUSSCGKSA-N 329.379 2.654 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)N(C)Cc1ccc2nonc2c1 95378725 CDZVIYFMPIDIRU-GFCCVEGCSA-N 327.388 2.762 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1 237595278 OUJARYASVCKSSQ-QFBILLFUSA-N 338.451 2.994 0 50 EFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1cnc2cnccc2c1=O 248416499 PRHYBUVDNHXJAK-KEYYUXOJSA-N 343.427 2.796 0 50 EFAA CCCSCC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 244633692 GHWQUKRBVRCDAW-AWEZNQCLSA-N 346.456 2.981 0 50 EFAA O=C(CCc1cccc2c1OCO2)N1CCC[C@H]1CN1CCCCC1 184371655 AYHZQLBENXEFSU-KRWDZBQOSA-N 344.455 2.825 0 50 EFAA O=S(=O)(Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccccn1 184793167 OHQKNRKVPWTSOM-UHFFFAOYSA-N 333.800 2.895 0 50 EFAA CCc1nc(-c2ccc(OCC(=O)N3CCCCC3)cc2)n(CC)n1 823599967 KLHALLLIPMYSNJ-UHFFFAOYSA-N 342.443 2.919 0 50 EFAA CC[C@H](C)Cc1nc(-c2ccc(-n3cccn3)cc2)n(CCO)n1 670458880 UOAUWPVCWZSXSB-AWEZNQCLSA-N 325.416 2.712 0 50 EFAA Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)C=C1CCCCC1 685942950 YIILPDNMQAUJGB-HUUCEWRRSA-N 332.448 2.629 0 50 EFAA C[C@H](CS(=O)(=O)NCc1cc(Cl)c2c(c1)OCCO2)C1CC1 1364766937 PABONIWRAFXAHC-SNVBAGLBSA-N 345.848 2.577 0 50 EFAA CC(C)c1nc([C@H]2CN(C(=O)c3ccn(C)c3)C[C@@H]2C2CC2)n[nH]1 952849638 YWEDOQANBPJWMT-CABCVRRESA-N 327.432 2.532 0 50 EFAA O=C(Nc1cccc(-n2ccnc2)c1)C(=O)Nc1ccc2c(c1)CCC2 164086620 NXTWGZIQNBIWPL-UHFFFAOYSA-N 346.390 2.938 0 50 EFAA N[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 269234735 SQMOHSXPPNHXJW-JMSVASOKSA-N 326.799 2.506 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F 408519954 ZAQBWPKTANZMPZ-LLVKDONJSA-N 331.363 2.601 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 165501369 QCZJYPNSSNWIDP-CQSZACIVSA-N 341.367 2.551 0 50 EFAA NC(=O)c1csc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 275595433 PZHHONWQXFJFIK-HNNXBMFYSA-N 330.457 2.786 0 50 EFAA COCc1nc(C)cc(NCCc2nnc(-c3ccccc3)o2)n1 170015967 ZBBICSHRKWFDNN-UHFFFAOYSA-N 325.372 2.636 0 50 EFAA Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)ccc1Cl 278357693 ILUIBMHIIKLLGO-CQSZACIVSA-N 336.863 2.974 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 170672803 ZFEDABPVVCEKJH-QGZVFWFLSA-N 330.409 2.676 0 50 EFAA O=C1COC[C@H](c2nc(-c3cccs3)no2)N1Cc1ccccc1 193145040 NZVFEXHHXSIEMO-CYBMUJFWSA-N 341.392 2.898 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccnc3ccccc13)C2 212473882 JCLFUOBBTBOZBK-CABCVRRESA-N 337.423 2.708 0 50 EFAA CSCc1ccc(C(=O)NCc2cccnc2-n2ccnc2)o1 11935460 DCWMPSHLEKLRTN-UHFFFAOYSA-N 328.397 2.653 0 50 EFAA Cc1ccc(Cl)cc1-n1nnc(C(=O)NCc2cccnc2)c1C 12274796 VZFGNOMOPVUVOS-UHFFFAOYSA-N 341.802 2.863 0 50 EFAA COc1ccc(OCc2cc(C(=O)NC3CCC3)n[nH]2)c(Cl)c1 12317169 VJMDWNMPBRJYNX-UHFFFAOYSA-N 335.791 2.933 0 50 EFAA CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 12594931 SBCAWARJSFCZSP-LJQANCHMSA-N 344.499 2.826 0 50 EFAA Cc1cccc(CN2CCC[C@@](O)(CNC3CCCCC3)C2=O)c1 12764121 VCTYVMQGCRLZEB-HXUWFJFHSA-N 330.472 2.771 0 50 EFAA CCc1noc(CN(C(=O)c2cn3cc(C)ccc3n2)C(C)C)n1 19222647 KZHCTPJYXQWKLC-UHFFFAOYSA-N 327.388 2.639 0 50 EFAA CC(C)c1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)n[nH]1 19228159 FGANKNDRFDJEHC-SFHVURJKSA-N 334.508 2.734 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)C1CCN(C2CCCC2)CC1 1857674675 SPRDIADFTUDTNP-SQGPQFPESA-N 348.487 2.885 0 50 EFAA O=C(Nc1cscc1S(=O)(=O)c1ccccc1)[C@@H]1CCOC1 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339.443 2.506 0 50 EFAA Cc1nc(NC(=O)NC2CC(CC(N)=O)C2)ccc1-c1ccccc1 931485321 DSHDKQIDUYYDOC-UHFFFAOYSA-N 338.411 2.833 0 50 EFAA Cc1cc(Cl)c2c(c1)CCCN2C(=O)c1nnn(C(C)(C)C)n1 857627524 QMQXZRIRHAVGEO-UHFFFAOYSA-N 333.823 2.983 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1 952881386 GYUUUHXHPMGUNK-MPGHIAIKSA-N 348.491 2.620 0 50 EFAA CC1(CCCC(=O)NCc2cccnc2OCC(F)(F)F)N=N1 952993597 GXDKXAFUSZWOBH-UHFFFAOYSA-N 330.310 2.991 0 50 EFAA CO[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)NCc1ncccc1C 1875362593 LQDNNTSMSHQAMF-MSOLQXFVSA-N 346.452 2.512 0 50 EFAA Cc1nc(C(=O)NC[C@H](C)CN2CCCC2)c(Br)s1 341927863 KYAWVZQCWUCZQG-VIFPVBQESA-N 346.294 2.676 0 50 EFAA C[C@@H]1C[C@@H](CS(=O)(=O)N(C)[C@H]2CCc3ccccc3C2)CCO1 1464804612 LNMKRWGWALGRBK-VKJFTORMSA-N 337.485 2.621 0 50 EFAA Cn1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)c(C(F)(F)F)n1 2325773252 BCBLIFLHYHDLCK-ZDUSSCGKSA-N 339.317 2.623 0 50 EFAA CCc1cn2c(n1)C[C@@H](C(=O)N(C)[C@@H]1CCCc3cccnc31)CC2 2325779983 WWCYDPWANVGUJT-DOTOQJQBSA-N 338.455 2.939 0 50 EFAA O=C(C[C@@H]1CCN(CC(F)(F)F)C1)Nc1cncc2c1CCC2 2325798236 YTNMKBPDOXBCMW-NSHDSACASA-N 327.350 2.783 0 50 EFAA O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCOCC1 178853 QADGESUCCKCDGF-UHFFFAOYSA-N 335.363 2.876 0 50 EFAA CCOC(=O)[C@]1(Cc2ccccc2)C(=O)OC(C)(C)C(C)(C)C1=O 315308 PLCXHBPPQGVIKL-LJQANCHMSA-N 332.396 2.709 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 2864762 YXMWWCIMPWCPNZ-UHFFFAOYSA-N 332.787 2.646 0 50 EFAA biogenic Cc1ccccc1NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl 3137411 RQMSZGNXTUVXAJ-VIFPVBQESA-N 340.663 2.724 0 50 EFAA O=C(CN1CCN(c2ccccc2F)CC1)NC1CCCCCC1 54530146 SEDCZUSILYWDIS-UHFFFAOYSA-N 333.451 2.787 0 50 EFAA C[C@H](NC(=O)N(C)Cc1cnc(N(C)C)nc1)[C@H]1C[C@H]2CC[C@H]1C2 110712097 SHCBCTJANCVSJC-DARAHFNDSA-N 331.464 2.509 0 50 EFAA Cc1[nH]ncc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225407445 KLIYHFXGROXSRA-HZMBPMFUSA-N 339.317 2.685 0 50 EFAA COCCOc1ccc(NC(=O)[C@H](C)c2ccnn2C)cc1Cl 421457584 ZYQQSNCNTQLTIS-LLVKDONJSA-N 337.807 2.841 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 101677582 MRTQBTFGUQGBCY-PYOKUCOHSA-N 338.407 2.519 0 50 EFAA CN1CCN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 20819619 PFHPVHCKERPZAU-UHFFFAOYSA-N 337.467 2.721 0 50 EFAA CCc1nn(C)c(Cl)c1CN(Cc1cccnc1)[C@H](CC)CO 55195522 DXPWWTWGNJMJAN-CQSZACIVSA-N 336.867 2.804 0 50 EFAA c1csc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 20781107 PZBAADSZMQZBDN-UHFFFAOYSA-N 340.408 2.820 0 50 EFAA Cc1[nH]c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(C)c1C(=O)OC(C)C 247336694 YHRJMQLRHGRDBI-DAXOMENPSA-N 348.443 2.740 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1 21660222 WLJJESFRXDLKQY-UHFFFAOYSA-N 326.278 2.650 0 50 EFAA O=C1CC2(CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CN1 65405670 YFYGQKUEFWNTOW-UHFFFAOYSA-N 348.450 2.739 0 50 EFAA Cc1cc(C)n(-c2cccc(-c3ccc(S(N)(=O)=O)cc3F)c2)n1 67771858 UWIYRTYODLDNAX-UHFFFAOYSA-N 345.399 2.943 0 50 EFAA COCC(=O)N1CC[C@]2(CCCN(Cc3c(C)cccc3C)C2)C1 67966174 GYXXBRHYTPNMJA-FQEVSTJZSA-N 330.472 2.764 0 50 EFAA CNC(=O)c1ccc(OC)c(-c2ccccc2CN2CCOCC2)c1 65434662 STXUIRWZOKUZOZ-UHFFFAOYSA-N 340.423 2.554 0 50 EFAA CCOC(=O)Cn1nc(C)c(NC(=O)c2ccccc2OCC)c1C 1427204 JCYKGLPOHQBMSR-UHFFFAOYSA-N 345.399 2.714 0 50 EFAA CCN1CC[C@H]2OCCN(Cc3c(C)nn(C(C)(C)C)c3C)[C@H]2C1 354131138 OGUYLTAWQMVUFU-ZWKOTPCHSA-N 334.508 2.550 0 50 EFAA CN(C)CCOC1CCN(Cc2cn[nH]c2-c2cccc(F)c2)CC1 215113453 LHYZZSMGLZENOX-UHFFFAOYSA-N 346.450 2.758 0 50 EFAA CCC(=O)N[C@@H](C)C(=O)NCc1cc(C)cc2c(C)c(CC)[nH]c12 77539198 YYLZPEFXERCGLN-ZDUSSCGKSA-N 329.444 2.878 0 50 EFAA CSc1nccc(N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)n1 72152577 WDZMYCWNIDJNAU-SFHVURJKSA-N 340.452 2.713 0 50 EFAA CCC(CC)n1ncc(C(=O)N2CCC(CC(=O)OC)CC2)c1C 328590335 WRFJQWDIKWRMSJ-UHFFFAOYSA-N 335.448 2.968 0 50 EFAA COC(=O)c1cc(C)nc(N2CCC[C@H]2CC(=O)c2cccs2)n1 328588004 LMCYOHNWAVUQHD-LBPRGKRZSA-N 345.424 2.875 0 50 EFAA COc1ccccc1/C(C)=C/C(=O)N(CCC(=O)O)C1CCOCC1 328595557 YBUQDRWEGYYIST-BUHFOSPRSA-N 347.411 2.581 0 50 EFAA CC[C@H](OC)C(=O)N1CCOc2ccc(Br)cc2C1 253393063 PTMCRDYQQNWHSB-LBPRGKRZSA-N 328.206 2.595 0 50 EFAA CCCC[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)C(N)=O 72422203 ZALHYSXAEJRPPP-AWEZNQCLSA-N 341.390 2.991 0 50 EFAA CCOC(=O)c1c(C)c(C(=O)OC)c(C)n1C(=O)c1ccccc1 71770420 BILHNMNFBVHYEH-UHFFFAOYSA-N 329.352 2.757 0 50 EFAA Cc1cccn2c(CN3CCCC3)c(C(=O)N3CCCCC3)nc12 71764543 LIAWOKNTHAQVCC-UHFFFAOYSA-N 326.444 2.865 0 50 EFAA C[C@@H]1OCC[C@]12CN(CCC(=O)Nc1ccccc1Cl)CCO2 280387899 KDTKWSLCFMISAH-GUYCJALGSA-N 338.835 2.548 0 50 EFAA CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccncc2)n[nH]1 366595654 HLMCMPJGLWBFNJ-GXTWGEPZSA-N 329.404 2.791 0 50 EFAA CC(C)[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ncnn1C 72458266 NCCGGLMXURYDTM-MRXNPFEDSA-N 344.459 2.646 0 50 EFAA CCCn1ccc2cc(NC(=O)NC3CCS(=O)(=O)CC3)ccc21 155922569 OGNTXJCAFMIQBB-UHFFFAOYSA-N 349.456 2.750 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc(OC)c1 39532850 FJLOIPXGXVXKIV-GOSISDBHSA-N 348.487 2.515 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 215704232 SMYBXYCAVSSDLA-INIZCTEOSA-N 335.411 2.830 0 50 EFAA Cc1nc(O)ccc1C(=O)NCCc1nc2ccccc2n1C(C)C 156433953 YQZLZZKIKWOFHD-UHFFFAOYSA-N 338.411 2.999 0 50 EFAA COc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc(C)n1 331918061 LILAVCZYNGGNPC-CJNGLKHVSA-N 348.349 2.625 0 50 EFAA O=C(NCc1ccc2sccc2c1)c1cnc(C2CC2)[nH]c1=O 71524700 GDJIZVNTTNCPAP-UHFFFAOYSA-N 325.393 2.792 0 50 EFAA Cc1nc(-c2cccnc2)nc(N2CCC([C@@H]3CCNC3)CC2)c1C 333604066 WXDVCTSOUVOHEZ-QGZVFWFLSA-N 337.471 2.981 0 50 EFAA Cc1cc(CCCC(=O)N(CC(=O)O)C2CCOCC2)c(C)s1 237603673 AWHQKJAOJLGYSE-UHFFFAOYSA-N 339.457 2.780 0 50 EFAA CC(C)c1cc(NC[C@@H](O)COCc2ccccc2)n2nccc2n1 72147007 UQQJXAFESKGYSP-MRXNPFEDSA-N 340.427 2.842 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(Cc2cc3c(cc2OC(F)F)OCO3)C1 263072628 PTMPUYBMIRKHKV-KOLCDFICSA-N 343.326 2.559 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 337239822 FAULZPMNLCPMCI-BZUAXINKSA-N 345.361 2.947 0 50 EFAA CCC[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 241720882 QTBYLEKTCHNQAE-BZUAXINKSA-N 334.460 2.590 0 50 EFAA 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Cc1ccsc1CCNC(=O)[C@@H](c1cccnc1)N1CCCC1 95386260 GLWLVJQJTBCBJY-QGZVFWFLSA-N 329.469 2.947 0 50 EFAA COc1ccccc1-n1cc(CN(C)Cc2noc(C3CC3)n2)cn1 97819675 UKXYROWBDYUBCK-UHFFFAOYSA-N 339.399 2.773 0 50 EFAA O=C(C1=Cc2ccccc2OC=C1)N1CCC2(CC1)OCCC[C@H]2O 91270469 XQHIZAVOIOFHJX-GOSISDBHSA-N 341.407 2.509 0 50 EFAA Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cnn4ccccc34)C2)n1 179506368 JOZZXBFQXIZPMC-INIZCTEOSA-N 349.438 2.888 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1c1nonc1C 92045452 WDXANARBPWFOLD-AWEZNQCLSA-N 331.420 2.770 0 50 EFAA O=C(Cc1cccc(O)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95355341 SILJFRFAZUFTAC-QZTJIDSGSA-N 328.456 2.658 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@H]2COc3ccccc3C2)nc1 91997576 SUICOUWVWZSRFZ-MRXNPFEDSA-N 325.412 2.560 0 50 EFAA O=C(NC[C@H]1COCCO1)c1sc2cccc(F)c2c1Cl 91551987 SRRJXNUWVUCORG-QMMMGPOBSA-N 329.780 2.839 0 50 EFAA O=C(CCCn1ccnc1)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 244673587 HSAZTLOLHAPMEQ-RVZJWNSFSA-N 349.381 2.570 0 50 EFAA Cc1ccc(C)c(OCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 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344.846 2.836 0 50 EFAA C[C@H](Sc1nc(-c2ccccc2)co1)C(=O)NC(=O)NC1CC1 195114113 VIASWBBIQJUWSE-JTQLQIEISA-N 331.397 2.810 0 50 EFAA CC(=O)Nc1cc(F)c(F)cc1NC(=O)C1CCN(C2CC2)CC1 195430944 QWWCUBRVSQVZEN-UHFFFAOYSA-N 337.370 2.736 0 50 EFAA COc1ccc(CN(CCc2ccccc2)C(=O)c2cnn[nH]2)cc1 1506431473 LOKCIYNXIYCICF-UHFFFAOYSA-N 336.395 2.698 0 50 EFAA CCc1noc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1C 1529139012 LHTQTLDTQVQPCH-CQSZACIVSA-N 327.384 2.500 0 50 EFAA CCOCCc1nnc(NC(=O)c2ccc3c(c2)CCCO3)s1 1529171769 AYQFVXHUVCPWME-UHFFFAOYSA-N 333.413 2.694 0 50 EFAA O=C(c1ccco1)N1CCCN(c2nc(-c3ccccc3)no2)CC1 1529192217 SCNFKVQRYQTSOG-UHFFFAOYSA-N 338.367 2.682 0 50 EFAA CSc1nc(N)cc(N2CCC3(CC2)OCCc2sccc23)n1 1704315915 QYWVPFKFGIILQT-UHFFFAOYSA-N 348.497 2.911 0 50 EFAA CCOc1ccc(CC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1 1775977281 IIFZVCSQUOZBFT-FQEVSTJZSA-N 339.439 2.858 0 50 EFAA CC(=O)NCCC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11821638 ACTAPXCJEANMNO-SFHVURJKSA-N 331.460 2.739 0 50 EFAA 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Cc1c([C@@H]2[C@@H](c3nc(-c4cccs4)no3)CC(=O)N2C)cnn1C 328587219 IJGABNUJVYRULA-HZMBPMFUSA-N 343.412 2.527 0 50 EFAA Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328623394 JBCLPTKOSZRYQO-HOTGVXAUSA-N 344.484 2.920 0 50 EFAA N=C(O)NC[C@H]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)C1 329608354 NCQCKTHOUFDQKQ-TZMCWYRMSA-N 333.457 2.587 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 237968008 RGCYOUQDTFFGHU-AWEZNQCLSA-N 347.342 2.938 0 50 EFAA COc1ccccc1OCCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC 336912787 KHIFMUAFQAFKMO-GVDBMIGSSA-N 335.444 2.590 0 50 EFAA COc1ccccc1COC[C@H](O)CN1CCC[C@H]1c1cc(C)no1 252498257 XNZKMZSXOAHRLO-SJORKVTESA-N 346.427 2.706 0 50 EFAA Cc1ccc(C[C@@H](CO)CNC(=O)CCOc2ccccc2)cc1 252500364 STDNLMGFDCTWRS-GOSISDBHSA-N 327.424 2.731 0 50 EFAA c1ccc2c(c1)CCC[C@H]2C[C@@H]1CCCN1c1ccc2nnnn2n1 365076421 GQMXRQHMHCWXCK-HOTGVXAUSA-N 334.427 2.998 0 50 EFAA Cn1cc(CNc2cccn(CC(F)(F)F)c2=O)c(C2CC2)n1 902243084 NHDHHIAFPNPXIS-UHFFFAOYSA-N 326.322 2.634 0 50 EFAA CC(C)n1cc(C(F)(F)F)c(=O)n(Cc2coc(C3CC3)n2)c1=O 902829299 RZDUTIZHVIQWTR-UHFFFAOYSA-N 343.305 2.523 0 50 EFAA COCCN1[C@H]2CC[C@H]1CC(NC[C@@H]1OCCc3ccccc31)C2 925395261 UKWKSHOVLUITJY-BJLQDIEVSA-N 330.472 2.532 0 50 EFAA Cn1nc(C2CC2)cc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 933731627 UPUFTKLJTDEMIK-INIZCTEOSA-N 347.422 2.938 0 50 EFAA Cc1ccc(C(=O)Nc2nc(C(C)C)ns2)cc1S(C)(=O)=O 874697147 CHUFDRBNGXVRNF-UHFFFAOYSA-N 339.442 2.626 0 50 EFAA COC1(OC)CC(NC(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 952880433 CXGYNXULLRIEPE-UHFFFAOYSA-N 332.404 2.890 0 50 EFAA CC[C@H](CC(=O)N1C[C@H](C(=O)OC)Cc2n[nH]cc21)c1ccccc1 1875275580 YJBBOYVPNDULRH-UKRRQHHQSA-N 341.411 2.672 0 50 EFAA Cc1c(NC(=O)C[C@@H]2CCCC(=O)N2)cnn1-c1cccc(Cl)c1 1875259186 HUCKXQRASDGWES-ZDUSSCGKSA-N 346.818 2.831 0 50 EFAA CCOCc1nc(-c2cnn3ncccc23)n(-c2ccc(F)cc2)n1 1875336044 QTOWFQYZPDZCJU-UHFFFAOYSA-N 338.346 2.653 0 50 EFAA COCCn1ccc2c(-c3nc([C@H]4C=CC=NC4=O)no3)cccc21 1875309807 OOSVIACIAZKZQO-CQSZACIVSA-N 336.351 2.589 0 50 EFAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccc(-c2ccncc2)c1 886097070 LZNNTQCNPSNDQM-VVHHDAOASA-N 334.423 2.970 0 50 EFAA COc1cc([C@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(F)cn1 886080001 JCRKVNRFUWMAIW-ZJNRKIDTSA-N 348.422 2.781 0 50 EFAA Cc1cnc([C@H](C)NC(=O)NCc2cccc3c2OCCO3)s1 893471380 QPAHSFOTZKLCKY-NSHDSACASA-N 333.413 2.783 0 50 EFAA O=C(c1ccc(OCC(F)(F)F)cc1)N1CC[C@@](CF)(C(=O)O)C1 1775997079 ULTBSFZYBZWPPS-AWEZNQCLSA-N 349.280 2.514 0 50 EFAA CN1CCC[C@@H]1c1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)n[nH]1 897086257 OHTIULFKJRUVIO-MRXNPFEDSA-N 336.399 2.819 0 50 EFAA COc1ccc(CN2Cc3cccc(F)c3C[C@H]2C(=O)O)c(C)n1 2325787146 FMYXLPWOASVAQW-INIZCTEOSA-N 330.359 2.549 0 50 EFAA O=C(N[C@]12CCN(C(=O)C3CCC3)C[C@H]1C2)c1ccc2cccnc2c1 2325871196 BDCKDQFEHVWGPI-UTKZUKDTSA-N 349.434 2.756 0 50 EFAA CC(C)c1n[nH]cc1C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CCC2(C)C)C1 957356812 BFLZECVZBXHEAO-LIRRHRJNSA-N 346.475 2.690 0 50 EFAA Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)o1 483739 NITKLGPCYGJQBY-UHFFFAOYSA-N 336.394 2.854 0 50 EFAA CCOc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21 619192 DWPVTFJKTGBFRK-UHFFFAOYSA-N 337.788 2.720 0 50 EFAA CN1Cc2nnc(-c3ccc(F)cc3)n2[C@@H](Cc2ccccc2)C1=O 2356134961 KHNXUCQNRDKAQQ-INIZCTEOSA-N 336.370 2.840 0 50 EFAA COCCCNCCOCCOc1ccc(Br)cc1C 3003078 BWVSRRLBJPIYCN-UHFFFAOYSA-N 346.265 2.779 0 50 EFAA CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C)C(=O)c1ccc(OC)cc1 4196689 GWYVRVNLSJODST-KCPJHIHWSA-N 348.395 2.645 0 50 EFAA CN(Cc1ccccc1)[C@H]1CCCN(C[C@@H](O)C(F)(F)F)CC1 221838415 HDRMCVUPFZJVSA-JKSUJKDBSA-N 330.394 2.896 0 50 EFAA COc1ccc(OC[C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 10542548 IARVLZXEPZIJSH-ZDUSSCGKSA-N 345.395 2.910 0 50 EFAA c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc3nonc3c2)nc1 55358626 DNVJWRVOZSYQRU-OAHLLOKOSA-N 346.394 2.971 0 50 EFAA O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@H](Nc2ccccc2)C1 170858436 GZQMWYFEUBHZCS-KRWDZBQOSA-N 333.395 2.594 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CCC[C@H](C2)C(=O)N3)c2cccc(C)c2n1 102605816 VRQJEJSZRCYVDP-HUUCEWRRSA-N 337.423 2.592 0 50 EFAA 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Cc1nc[nH]c1CNC(=O)[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 1857531739 SCHQRGZJUAIHCN-SUMWQHHRSA-N 331.803 2.728 0 50 EFAA CCOC(=O)C1(C(=O)OCC)CC2(COC(c3ccccc3)OC2)C1 1724820 ULSMYZADTHVDKB-UHFFFAOYSA-N 348.395 2.625 0 50 EFAA in-vitro CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cnsn1 225758822 BENXPERQLGIEEO-OAHLLOKOSA-N 330.457 2.569 0 50 EFAA c1ncn(C2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)n1 120912580 ZVTMXKHMHYHZKA-LJQANCHMSA-N 342.443 2.673 0 50 EFAA COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc[nH]n1 120944146 ZRWFNHVRUNJUJS-CYBMUJFWSA-N 338.205 2.518 0 50 EFAA COc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1OC 348237888 DJDMAVGJVYENMB-GDBMZVCRSA-N 345.370 2.791 0 50 EFAA CC(=O)Nc1nc(C(=O)N2CC[C@](F)(c3ccccc3)C2)cs1 367180448 TXFHMMJVWBPLRF-MRXNPFEDSA-N 333.388 2.812 0 50 EFAA O=S(=O)(NCc1noc(-c2cccs2)n1)C1CCCCC1 264681653 ZCFVDLHGTFTPNU-UHFFFAOYSA-N 327.431 2.550 0 50 EFAA Cc1nc(CC(C)C)c(NC(=O)N(C)[C@H](C)C[S@](C)=O)s1 162876328 QDLYPBJXUDGQSA-LADRHHBVSA-N 331.507 2.881 0 50 EFAA O=C(O)c1csc(CN2CCCN(C(=O)c3ccccc3)CC2)c1 901421525 COHUVEYUYXIBRE-UHFFFAOYSA-N 344.436 2.794 0 50 EFAA O=C(OCc1cncs1)c1c(Br)nc2n1CCCC2 838852015 WEEVTQBWRRXQRG-UHFFFAOYSA-N 342.218 2.795 0 50 EFAA CCOC(=O)c1cnc(NCc2csc(-c3ccn(C)n3)n2)s1 952993455 HGRWOVIGLYIRGG-UHFFFAOYSA-N 349.441 2.789 0 50 EFAA Cc1ccc([C@H]2[C@@H](C)CN2C(=O)c2cccc(-n3cncn3)n2)cc1 1875278613 PSJJATKNPNRLAP-KBXCAEBGSA-N 333.395 2.804 0 50 EFAA Cc1sc(NC(=O)[C@@H]2C[C@H]2C(=O)O)nc1-c1c[nH]c2ncccc12 1875266546 LUSJIJFZJZSFAO-NXEZZACHSA-N 342.380 2.654 0 50 EFAA CN(CCOc1ccccc1)CCc1ncc(Br)cn1 1875275056 SQWLGTMQTCHNFS-UHFFFAOYSA-N 336.233 2.792 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(-c2nncn2C)c1 1875280384 BAOWFHGEDBRWIA-UHFFFAOYSA-N 334.383 2.710 0 50 EFAA CN(C)C/C=C/C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 1875376971 OKNFLUWEVHGJLU-IUYMFKLXSA-N 341.499 2.523 0 50 EFAA CCN1Cc2ccccc2[C@@H](NC(=O)N2CC[C@@H](N(CC)CC)C2)C1 1875358179 MHUYUYHNFSJKPE-MJGOQNOKSA-N 344.503 2.689 0 50 EFAA Cc1ncc(CN2CC(N[C@H](C)CCc3ccc4c(c3)OCO4)C2)o1 1875323887 WABWXMXUSFMPEZ-CYBMUJFWSA-N 343.427 2.507 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc3c2CCC(C)(C)O3)cn1 1875379892 ZBXGJCQVDJYNTL-IVZQSRNASA-N 327.428 2.787 0 50 EFAA CC(=O)N1CC(c2noc(-c3csc(Br)c3)n2)C1 1775998295 VYIFLJBRLHGBOF-UHFFFAOYSA-N 328.191 2.506 0 50 EFAA O=C(c1cc(=O)cc[nH]1)N1CCC[C@@H](c2ncc(-c3ccccc3)[nH]2)C1 1775987922 FWNGOBOWPHPVFD-OAHLLOKOSA-N 348.406 2.785 0 50 EFAA CC1(NC(=O)c2cc3c(N4CCNCC4)cccc3s2)CCC1 2325768569 ZCSMBDXCAODMFQ-UHFFFAOYSA-N 329.469 2.983 0 50 EFAA COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(C)=O 313021 JQGFAXIHUAJDDX-UHFFFAOYSA-N 329.308 2.571 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 615503 KYUJPHKWDOGNNB-CQSZACIVSA-N 337.379 2.637 0 50 EFAA O=S(=O)(c1cccs1)N1CCN(c2ccccc2Cl)CC1 1053437 DEBQNKQEKJJQKG-UHFFFAOYSA-N 342.873 2.912 0 50 EFAA Cc1ccc2cc(-c3cnc4c(N5CC[C@H](O)C5)nccn34)ccc2n1 2356157575 MBUUHYKMAHIDSG-INIZCTEOSA-N 345.406 2.824 0 50 EFAA Cc1ccc(-c2noc(CN(C(=O)N3CCOCC3)C(C)C)n2)cc1 4942786 TZTFQGXGRFMCNQ-UHFFFAOYSA-N 344.415 2.708 0 50 EFAA CCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10314977 DRINFQOVKIXPFO-UHFFFAOYSA-N 332.425 2.936 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)cc2c1 55052888 NUWZQDNZMRNZDD-OAHLLOKOSA-N 325.412 2.591 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccc(-n3ccnc3)cc2)n1 344836904 WCOVCZVLYBOTHH-DYVFJYSZSA-N 339.399 2.526 0 50 EFAA Oc1cccc(-c2cn(Cc3cnn(Cc4ccccc4)c3)nn2)c1 67490726 KTQPAXCXDOYXMP-UHFFFAOYSA-N 331.379 2.944 0 50 EFAA CCc1nc(C)c(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)o1 65500616 CMRHASYMJCMMIS-OAHLLOKOSA-N 329.400 2.762 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nn1 65362091 IVVAPWJMNQLEGZ-UHFFFAOYSA-N 334.782 2.540 0 50 EFAA Cc1ccc(-c2n[nH]cc2CNC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)o1 229581816 HSTJASGHCMXALC-QEJZJMRPSA-N 332.448 2.565 0 50 EFAA C[S@@](=O)C1(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)CCC1 280787914 ONBTXBCGRHDSMS-UPCLLVRISA-N 349.500 2.574 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 252477388 MXLQOGUWYMZIQA-VTMBPIDISA-N 343.475 2.799 0 50 EFAA OC[C@@H]1CCCN1c1cc(N2CC=C(c3ccccc3)CC2)ncn1 229540237 OIKMEBZWCINMLK-SFHVURJKSA-N 336.439 2.731 0 50 EFAA CC[C@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCO1 123515888 VRQLQLJIFAMMOD-DOTOQJQBSA-N 346.406 2.768 0 50 EFAA CN(C(=O)c1c[nH]c2c(F)cccc2c1=O)C1Cc2ccccc2C1 71761211 AZOPSTRPGIDCGR-UHFFFAOYSA-N 336.366 2.907 0 50 EFAA Cc1cc(CNc2nc(-c3ccccc3)nc3c2CCNCC3)no1 72429502 UNMZJPUVGAKNER-UHFFFAOYSA-N 335.411 2.740 0 50 EFAA CC(=O)NCC[C@H]1CCCCN1Cc1noc(-c2ccc(C)cc2)n1 72165975 DDHPQWWNNWEONO-QGZVFWFLSA-N 342.443 2.926 0 50 EFAA CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC12CCOCC2 253415038 HGUYADXQBIXXMU-ZDUSSCGKSA-N 348.468 2.622 0 50 EFAA CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCCC2(C1)OCCO2 253428126 PEHYAULPNRIMJH-HNNXBMFYSA-N 342.480 2.622 0 50 EFAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2ccn(CCC(N)=O)n2)C1 281148658 ASZBQTLCVBPEDY-HUUCEWRRSA-N 327.432 2.600 0 50 EFAA OC[C@H]1CC(F)(F)CN1Cc1nn(-c2ccccc2)c2c1CCC2 366687606 XCNGKAKAGICYTD-CQSZACIVSA-N 333.382 2.563 0 50 EFAA CCc1oc(C(=O)N2CC[C@H](Oc3ccccc3)C2)cc1C(=O)O 367178902 CLTCHXBBWBJDLW-ZDUSSCGKSA-N 329.352 2.834 0 50 EFAA O=C(O)C1(n2cccn2)CCN(Cc2ccc3ccccc3n2)CC1 72432295 ZIMGHYNQQSZGNW-UHFFFAOYSA-N 336.395 2.507 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 72158501 GUDDYMFSFDGHQK-GOSISDBHSA-N 348.462 2.817 0 50 EFAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(C(=O)O)cc1 375417536 VCZZOLGRPRVQPV-SJCJKPOMSA-N 325.364 2.849 0 50 EFAA COc1cccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)c1O 77408337 XVZYYDNVZZKCNX-UHFFFAOYSA-N 337.379 2.859 0 50 EFAA COc1cccc(OC)c1CN[C@H]1CCN(c2ncccc2F)C1 375750774 OGOMCLZISGSILW-ZDUSSCGKSA-N 331.391 2.606 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1OC 262716168 NNVRUPAZODELRK-AVGNSLFASA-N 335.400 2.772 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)n1 77407939 MZVCZXBGQIUWQG-AWEZNQCLSA-N 331.391 2.973 0 50 EFAA Cc1nn(-c2ccccn2)c(Cl)c1CN1CC([C@H]2CCOC2)C1 377713937 CKFOALUHPHJNHT-ZDUSSCGKSA-N 332.835 2.697 0 50 EFAA COCCc1noc(-c2ccc(N(C)[C@@H](C)c3nccs3)nc2)n1 15066419 REXMKEUXUKMQIU-NSHDSACASA-N 345.428 2.974 0 50 EFAA COC(=O)c1sccc1NC(=O)N1CCN(c2ccccc2)CC1 13736950 YRADDMAOIQQRRN-UHFFFAOYSA-N 345.424 2.889 0 50 EFAA CCn1cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)O)cn1 263039886 NHBNCZUKIAOFBL-YOEHRIQHSA-N 341.411 2.596 0 50 EFAA CCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(C)nc2)O1 72425239 HNLSUONMSMJUHQ-RBUKOAKNSA-N 328.460 2.736 0 50 EFAA Cc1ccc(O)c(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c1 72163018 IQRPSXQWELFVJQ-FQEVSTJZSA-N 336.391 2.827 0 50 EFAA CC(C)(C)Sc1ccc(NC(=O)c2nccnc2C(N)=O)cc1 172747793 GNGJMQSXNGFMQQ-UHFFFAOYSA-N 330.413 2.718 0 50 EFAA CN1CCC(N(CCc2ccccc2)C(=O)[C@@H]2CCCNCC2)CC1 72426565 ZEKFKLFUIAXHLS-LJQANCHMSA-N 343.515 2.542 0 50 EFAA Cc1nn(-c2ccccc2)cc1CN[C@H]1CCO[C@@H]1c1ccnn1C 284401790 CGDJCXVXCSTZKF-HKUYNNGSSA-N 337.427 2.534 0 50 EFAA Cc1ccc(OCCN2CCn3nc([C@@H](O)C4CC4)cc3C2)cc1C 220696815 MWDQSXHTTIJGMF-FQEVSTJZSA-N 341.455 2.838 0 50 EFAA O=C(CSc1ccncc1)N1CCC([C@H](O)c2ccccn2)CC1 220285200 UMWGLNDYLNUNJK-SFHVURJKSA-N 343.452 2.541 0 50 EFAA Cn1cc(CN(C(=O)c2ccc([C@@H]3CCCN3)s2)C2CC2)cn1 19745433 UZIQFZVAISBJLL-AWEZNQCLSA-N 330.457 2.711 0 50 EFAA Cc1csc(-c2cccc(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c2)n1 176810067 JEFBCXHLRNVQRG-AWEZNQCLSA-N 341.436 2.612 0 50 EFAA CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)C1(N)CC1 426727310 BZRPLCWHXLLKJW-HNNXBMFYSA-N 349.862 2.565 0 50 EFAA CN(C)CCCNC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 426550687 VJGPKGCDDYVTOR-OAHLLOKOSA-N 337.439 2.578 0 50 EFAA Cc1cc2cc(NC(=O)NCCS(=O)(=O)CC(C)C)ccc2o1 95524747 IQFHFMIXMBKWOU-UHFFFAOYSA-N 338.429 2.934 0 50 EFAA COCCCN1CC2(CCN(Cc3cccc(C)c3)CC2)CC1=O 95384788 SPEFCDNFSGCIKQ-UHFFFAOYSA-N 330.472 2.846 0 50 EFAA CC[C@@H](C(=O)NCc1cc(-c2ccccc2F)no1)n1cccn1 91914604 FXTLDBZDTSWCPY-INIZCTEOSA-N 328.347 2.945 0 50 EFAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncn(C(C)(C)C)n1)CCC2 291989435 GPBCPVDFXRNTFS-GFCCVEGCSA-N 333.461 2.948 0 50 EFAA CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239287489 CWRVTBXPXRGAHL-WMHQRMGPSA-N 343.379 2.713 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CCOc2ccccc2C1 97635054 ZDQVQFDAEGEDQF-MRXNPFEDSA-N 328.412 2.982 0 50 EFAA COc1cccc(CS(=O)(=O)Cc2ccc(OC)c(Cl)c2)n1 179158975 IPBDICQGQYFDFR-UHFFFAOYSA-N 341.816 2.867 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1C1CC1 91526271 UDPXEMLRKMAHBX-HIFRSBDPSA-N 340.345 2.692 0 50 EFAA O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc3nccn23)CC1 179624045 AKBMEEYKYBWYPM-UHFFFAOYSA-N 347.422 2.814 0 50 EFAA Cc1ccc2c(c1)SCC(=O)N2Cc1noc([C@@H]2CCCO2)n1 95357584 OWEPKGWDTCHNET-LBPRGKRZSA-N 331.397 2.868 0 50 EFAA O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 95515315 UVYNIQOIGWLINF-GOSISDBHSA-N 335.451 2.887 0 50 EFAA Cc1ccccc1-n1cc(CNC(=O)C[C@H](C)n2ccnc2C)cn1 244874195 WWGWPNCTKUGVGP-HNNXBMFYSA-N 337.427 2.953 0 50 EFAA Cc1nccnc1CCNS(=O)(=O)c1ccc(CC(C)C)cc1 293748377 ILALMZJUAPHHSO-UHFFFAOYSA-N 333.457 2.505 0 50 EFAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 253614757 AYEXSTRNLGYBSQ-URHIZQSMSA-N 348.483 2.889 0 50 EFAA c1cncc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)c1 181435524 IQYJARMFDZNDMS-MRXNPFEDSA-N 325.416 2.539 0 50 EFAA CCOc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1OC 299744601 TVCYZUOQUXZZJP-AWEZNQCLSA-N 335.400 2.953 0 50 EFAA CC1=C2CCCC[C@@]23[C@@H]1[C@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21 253588237 REOSPZRTUYDXNG-DCXXXQMHSA-N 347.418 2.973 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)c1ccnn1C 534635495 COXGHNRKHNEKON-ZDUSSCGKSA-N 340.431 2.898 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@@H](Cc2c[nH]cn2)n2cccc2)on1 299773130 AYFLNOLIRZSUKP-QGZVFWFLSA-N 341.415 2.765 0 50 EFAA CCc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cc(O)n1 299760927 QBXPEEJOXZPWCE-NSHDSACASA-N 329.404 2.547 0 50 EFAA CC(C)n1cc(NC(=O)N(C)Cc2nnc(-c3ccccc3)o2)nn1 299785184 QREIKIAZUZVDSL-UHFFFAOYSA-N 341.375 2.573 0 50 EFAA COc1ccccc1CCc1nc(C(C)C)nn1C[C@@H]1COCCO1 584899653 AXQHOHCDDDWVGD-MRXNPFEDSA-N 345.443 2.611 0 50 EFAA COC12CCC(C(=O)NCc3nc(C(C)C)cs3)(CC1)C(=O)C2 1346047867 HEZLVODCRSHQRH-UHFFFAOYSA-N 336.457 2.801 0 50 EFAA O=C(CCN1CCCCCC1=O)NCCCc1nc2ccccc2o1 952969511 NVYSIQIJRIAWOI-UHFFFAOYSA-N 343.427 2.669 0 50 EFAA Nc1nc2c(c(C(=O)N3CCc4c(Cl)cccc4C3)n1)CCCC2 952974337 WOBZTQHZLAULGB-UHFFFAOYSA-N 342.830 2.790 0 50 EFAA CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cc1cc(F)c(F)cc1F 888105034 VHCGMKQZRZOUJL-INIZCTEOSA-N 339.313 2.544 0 50 EFAA O=C(NCc1ccc2c(=O)cc[nH]c2c1)[C@@H]1CCCN1C1CCCC1 408515247 PLDMOVHWVWJFRZ-SFHVURJKSA-N 339.439 2.551 0 50 EFAA O[C@@H]1CCCC[C@H]1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 270488927 GAASXYDAKNVXQY-IAGOWNOFSA-N 326.444 2.955 0 50 EFAA C[C@H](NC(=O)C1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1 272325832 VIIGHWJMOQJMJE-DZGCQCFKSA-N 336.526 2.819 0 50 EFAA Cc1noc([C@]2(O)CCN(Cc3ccc(Cl)c4cccnc34)C2)n1 277461899 PANIXLFFXSOOBY-KRWDZBQOSA-N 344.802 2.673 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCc1cncn1C 193233315 IJCUDTFFOWAFMH-DYVFJYSZSA-N 347.846 2.995 0 50 EFAA Cc1csc(N(C)C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)n1 194660894 TVPLDXUHYXEGPT-BETUJISGSA-N 346.456 2.737 0 50 EFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nncn2C)C1 195084560 DSOKCNQCFUEWOX-DZGCQCFKSA-N 330.407 2.539 0 50 EFAA Cc1[nH]c2c(C(=O)Nc3nnc(CCN(C)C)s3)cccc2c1C 1506426727 STSKZHZYOOCBNZ-UHFFFAOYSA-N 343.456 2.993 0 50 EFAA O=C(Nc1cnn2c1NCCC2)c1csc(Cc2ccccc2)n1 1506409907 ASOINDYKEUGJHG-UHFFFAOYSA-N 339.424 2.998 0 50 EFAA COc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c(O)c1 210010627 GGEUPFSEFLEOKW-QAPCUYQASA-N 345.370 2.531 0 50 EFAA Cc1ncc(CN(CCN(C)C)Cc2ccc3cccc(F)c3n2)[nH]1 1704316022 SONDNGOITFSMRF-UHFFFAOYSA-N 341.434 2.969 0 50 EFAA COc1cc(-c2onc(NC[C@@H](C)N(C)C)c2C(=O)O)ccc1F 1704308326 HPASAYMYBKXXDJ-SECBINFHSA-N 337.351 2.550 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC[C@@H]1O 1704324723 DSASKZYJMIJEKM-UHOFOFEASA-N 337.847 2.664 0 50 EFAA O=C(NCCOc1ccc(F)cc1)[C@@H]1CCC(=O)N(C2CCCC2)C1 11933137 FZBWVPQYDRLAKV-CQSZACIVSA-N 348.418 2.502 0 50 EFAA Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1C 13110921 ZZIBQJNADCFXAX-UHFFFAOYSA-N 343.452 2.996 0 50 EFAA CCOc1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 13669984 SNLXEPZMULCGMZ-UHFFFAOYSA-N 340.423 2.852 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1 19790661 MMCWTYMIIVLCRU-HXUWFJFHSA-N 340.467 2.865 0 50 EFAA CC[C@H](C)c1nc(C)cc(N2CC[C@](C(N)=O)(c3ccccc3)C2)n1 1857531702 MNVMUJSUTCKLPA-VBKZILBWSA-N 338.455 2.932 0 50 EFAA NC(=O)c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1F 115055730 ZQYNQFBEPJRTCU-MRXNPFEDSA-N 328.343 2.567 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@H]1CCCNC1 122900407 IXWAUNQENOGMIF-NSHDSACASA-N 344.889 2.893 0 50 EFAA Cc1c(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)nnn1C 333423044 SUJDJDYNKSNRJH-LBPRGKRZSA-N 335.795 2.812 0 50 EFAA O=C(NC1(C(=O)O)CCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 237942643 PUTDOOJMJJQRCV-GHMZBOCLSA-N 327.302 2.932 0 50 EFAA CS(=O)(=O)c1ccc2ncnc(NCc3ccc(F)cc3)c2c1 252507679 WRKNMDDGABGGNF-UHFFFAOYSA-N 331.372 2.785 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)CCc3ccco3)C2)no1 264064723 BLFQUMUTSZYYQN-ZFWWWQNUSA-N 346.431 2.956 0 50 EFAA O=C(NCc1ccc(Br)o1)N[C@H]1CCCc2c[nH]nc21 390835812 YXHOFHRCFMPBDV-JTQLQIEISA-N 339.193 2.642 0 50 EFAA CCCOc1nc2ccccc2cc1C(=O)N(C)C[C@H]1C[C@@H](O)C1 827552393 HJYILNGWVJHSRO-OTVXOJSOSA-N 328.412 2.867 0 50 EFAA O=C(c1csc(C2CCCCC2)c1)N1CCO[C@H](c2nn[nH]n2)C1 932282483 JQLYUWULUNEPIA-ZDUSSCGKSA-N 347.444 2.523 0 50 EFAA CCO/C=C/[C@](O)(CNC(=O)N[C@@H](C)c1ccccc1)C(F)(F)F 864095489 NMGLAZOXBCJDGE-WKZUOKLVSA-N 346.349 2.890 0 50 EFAA Cc1cc(C(C)C)nc(N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)n1 865651028 MMWAPUDFDKNPBI-DOTOQJQBSA-N 329.448 2.734 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1cccc(F)c1F 952890625 WUJZUJQHEPBFDT-LBPRGKRZSA-N 335.310 2.754 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)N1CCS[C@H]2CCC[C@H]21 1875278223 JZZUJXLKSVWJHD-CABCVRRESA-N 332.473 2.835 0 50 EFAA C[C@@H](O)[C@H]1CCN(c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 1875318306 FHBPXYYHABFDCJ-PBHICJAKSA-N 340.423 2.638 0 50 EFAA C[C@@H](NCC1CCCCC1)[C@H](O)C(=O)N[C@@H]1CCOc2ccccc21 1875316388 MVQRZZSNKJFQJL-BJZITVGISA-N 346.471 2.546 0 50 EFAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1ncc(C2CCC2)o1 1875399887 LJDUXYHSBRCBDA-TZMCWYRMSA-N 329.404 2.754 0 50 EFAA NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CC2(CCCCC2)C1 1875311787 AKMVUFBBPBCPIZ-QGZVFWFLSA-N 343.471 2.743 0 50 EFAA COc1ccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1F 886031127 TZLSZCRRQQAITM-DOMZBBRYSA-N 348.340 2.866 0 50 EFAA CCc1ccc(CN2CC[C@@H](Oc3ccnc(CNC(C)=O)c3)C2)o1 886044945 OOBYWQRBYSBJRR-LJQANCHMSA-N 343.427 2.526 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC2(CCC[C@H]2CN)CC1 1772315173 JXRWTIPDPRSJLY-PBHICJAKSA-N 346.519 2.583 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3ncc(Cl)cc3F)CC2)O1 1775958410 XOUZMRRFUUWLEF-QWHCGFSZSA-N 328.771 2.723 0 50 EFAA Clc1cc(CNCCn2nnc3ccccc32)cc2c1OCCO2 2325784050 XCASEJGKLAUNDE-UHFFFAOYSA-N 344.802 2.646 0 50 EFAA N=c1[nH]c2cc(C(=O)N3CCC(OC(F)(F)F)CC3)ccc2s1 2356142636 ANIOMHUKPXHWAQ-UHFFFAOYSA-N 345.346 2.850 0 50 EFAA CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 3555623 UFJHSFNGQAJHLO-UHFFFAOYSA-N 338.816 2.843 0 50 EFAA C[C@@H](NC(=O)N1CCN(c2ccccc2F)CC1)c1ccnc(O)c1 458832167 QZXOYEGQCXTHFB-CYBMUJFWSA-N 344.390 2.519 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 6742921 CATSEWHFCTZHIS-OAHLLOKOSA-N 344.521 2.667 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 347198539 NBHRSVLSAKONAQ-OTWHNJEPSA-N 329.440 2.956 0 50 EFAA CCc1nc(N)cc(NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n1 221880844 WTFPKMCDJMQAHW-QWHCGFSZSA-N 347.488 2.557 0 50 EFAA COc1ccc(N2C(=O)C[C@H](NCc3ccccc3Cl)C2=O)cc1 101337185 FJPVJHFUFCCHOZ-INIZCTEOSA-N 344.798 2.770 0 50 EFAA COCCC(C)(C)C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 412657312 NJLZHINYUCPDFC-LJQANCHMSA-N 331.412 2.686 0 50 EFAA COc1ccc(OC[C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 10542550 IARVLZXEPZIJSH-CYBMUJFWSA-N 345.395 2.910 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2n[nH]c3c2CCCC3)cc1 55271247 XGAGLKPXCJGWFQ-UHFFFAOYSA-N 340.427 2.584 0 50 EFAA CCCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613648 NNJFYVRULQCYBW-UHFFFAOYSA-N 328.412 2.963 0 50 EFAA biogenic CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Cc1sc(S)nc1C 133272326 BPOIJIHLXDOLSW-NEPJUHHUSA-N 328.503 2.993 0 50 EFAA CO[C@@H]1CCCN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 246157748 VAPQYAFYONRLOB-CMPLNLGQSA-N 337.420 2.873 0 50 EFAA COc1ccc(-c2nc(CN3CCOCC3)c(C)o2)c(OC)c1C 67431789 YBZWXYMKANQFIB-UHFFFAOYSA-N 332.400 2.808 0 50 EFAA COCCn1cc(CN[C@H](c2ccc(OC)cc2F)C2CC2)cn1 421858213 QYBIHDWHBGKLPB-SFHVURJKSA-N 333.407 2.918 0 50 EFAA Cc1cccnc1CN(C)Cc1nc(-c2ccc(C(=O)O)cc2)no1 67754541 LMRWHPYJQKYMBY-UHFFFAOYSA-N 338.367 2.770 0 50 EFAA CN1CCC[C@@H]1CCN1CC=C(c2cnn(-c3ccccn3)c2)CC1 65372353 VSLMNRWMALVAFK-LJQANCHMSA-N 337.471 2.841 0 50 EFAA CC(=O)N1CCN([C@@H]2CN([C@@H]3CCCc4ccccc43)C[C@@H]2C)CC1 229306619 KAHUIWPUGPLRLY-ZLGUVYLKSA-N 341.499 2.548 0 50 EFAA CNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 229425478 HKMTXHWVVFLCQQ-HIFRSBDPSA-N 346.475 2.597 0 50 EFAA Cc1c(CN2CC[C@H](CNC(=O)c3cnco3)C2)oc2ccccc12 67675814 WVCYXMGAJYMOIY-CQSZACIVSA-N 339.395 2.981 0 50 EFAA O=C(Nc1ccc(N2CCCCC2)nc1)N[C@@H]1CCN2CCCC[C@@H]12 229750675 UADOYXJGMLVWAT-SJORKVTESA-N 343.475 2.820 0 50 EFAA O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 229898738 SMFLUQUQKGCKPW-NXHRZFHOSA-N 344.430 2.790 0 50 EFAA CCOC(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n(C)n1 12410687 MHPKDWORHBQTJM-UHFFFAOYSA-N 345.443 2.543 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 253425580 DFKHSHOTUHOYHX-ZNMIVQPWSA-N 345.834 2.871 0 50 EFAA CSCC[C@@H](O)C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1 216408866 HDRPTKMOXOJPBA-MRXNPFEDSA-N 347.484 2.691 0 50 EFAA COc1ccccc1-n1c(S)nnc1-c1c(Cl)c(C)nn1C 6792439 CPXUNHJZHAUMSW-UHFFFAOYSA-N 335.820 2.927 0 50 EFAA CCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c3c(Cl)cccc23)C1 154199172 IIOIWBBLMHFGJD-JTQLQIEISA-N 334.807 2.803 0 50 EFAA COC(=O)CN(C(=O)c1cccc(-c2noc(C)n2)c1)C1CCCC1 151184672 GQXNVMVEMQTHTD-UHFFFAOYSA-N 343.383 2.603 0 50 EFAA O=C1C[C@H](Cc2ccc(NCC3=Cc4ccccc4OC3)cc2)C(=O)N1 151649582 FKZKEIZUTBUZSN-KRWDZBQOSA-N 348.402 2.780 0 50 EFAA C[C@@H](Nc1ccc2c(c1)COC2)C(=O)N1CC(=O)Nc2ccccc21 152740584 PVLCUYQBMUSULH-GFCCVEGCSA-N 337.379 2.503 0 50 EFAA COc1ccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)cc1F 328616454 BSKCKHRZCXAENU-MRXNPFEDSA-N 335.379 2.783 0 50 EFAA CCc1ccsc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1 328618730 DZLNMWJHVZMJSJ-AWEZNQCLSA-N 332.473 2.563 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N[C@@H]1C[C@H]1c1cccc(F)c1 363131925 UIJGUVAWPBEHBK-YESZJQIVSA-N 344.390 2.879 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)OC)CC1 280982209 JFLDBWCHZBMJRE-BZUAXINKSA-N 347.459 2.936 0 50 EFAA Cc1nnc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)o1 216532769 VKSFUTBKLNSLCT-QGZVFWFLSA-N 346.406 2.703 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)Cc2c(C)nc(N)nc2C)c(C)s1 77299252 WHWXGSHAIOLCER-JTQLQIEISA-N 333.461 2.511 0 50 EFAA COC[C@H](O)CN1CCC[C@H]1c1cc(Br)ccc1OC 126504713 UJFPOXGMMZKHLS-OCCSQVGLSA-N 344.249 2.602 0 50 EFAA O=C(CCc1ccccc1O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 372027340 WTSOIFZJAIUMAS-WGMWDUQUSA-N 336.435 2.571 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)cc1 72168315 QOFMEQUFVGEZLA-INIZCTEOSA-N 344.455 2.653 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCc1cc(-c3ccccc3)on1)CC2 241277675 LIDBBUWDPVLKNI-IRXDYDNUSA-N 340.427 2.720 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)o1 262261172 WRTIERBINKQJDV-GFCCVEGCSA-N 343.335 2.726 0 50 EFAA CC[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccc(OC)cc1 130758315 XIHZNWBZJXZBRV-HNNXBMFYSA-N 341.402 2.739 0 50 EFAA Cc1nc2ccccc2n1CCNC1CCN(c2ccccn2)CC1 237768544 BGSRXQXCUFLWKR-UHFFFAOYSA-N 335.455 2.998 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ncnc3ccsc23)C1 378535859 BAGDWLCXVKOEQX-LLVKDONJSA-N 342.428 2.757 0 50 EFAA C[C@@H]1CCCN(C(=O)C2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)C1 241588470 PDLYWUNKMOUDEC-UIAACRFSSA-N 342.483 2.615 0 50 EFAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)C(=O)CC(C)C)C1 72162646 UYGUUJSKZRUTKT-KRWDZBQOSA-N 331.460 2.510 0 50 EFAA Cc1nn(C)cc1-c1ccnc(NCc2nc(-c3ccccc3)no2)n1 48170803 XHDAQLDWEKWSGR-UHFFFAOYSA-N 347.382 2.848 0 50 EFAA C[C@@H]1C[C@H](N2CCO[C@@H](c3nc(-c4ccccc4)cs3)C2)C(=O)O1 222214403 JVPOPNCUPFWEJL-UHOFOFEASA-N 344.436 2.887 0 50 EFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1CN(Cc2ccccc2)CCO1 242339371 ZHHJOCMOABWWCP-LWYYNNOASA-N 342.483 2.830 0 50 EFAA COc1ccc(C(=O)N2CCCN(c3ccnc(C)c3)CC2)cc1F 82109119 NTDGPSFAHASMJB-UHFFFAOYSA-N 343.402 2.890 0 50 EFAA CCc1c(C(=O)NN2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)csc1C 20191638 DPYXJNKOUUOECB-ZIAGYGMSSA-N 346.452 2.995 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)O)cc12 263554278 YBMAWPHLTOZUHZ-PUTJDCORSA-N 346.358 2.641 0 50 EFAA CN(C)N1C2=C(CCCC2)C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229597494 LUQWCMWLSLAZJP-DOTOQJQBSA-N 325.412 2.555 0 50 EFAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cnn(C)c1 175448684 CZGZJRSWJKEQMM-RYUDHWBXSA-N 341.864 2.886 0 50 EFAA Cn1cc(CN(C(=O)c2ccc([C@H]3CCCN3)s2)C2CC2)cn1 19745435 UZIQFZVAISBJLL-CQSZACIVSA-N 330.457 2.711 0 50 EFAA OCCn1nccc1C1CCN([C@H]2CCc3ccc(F)cc32)CC1 177698328 SQIXJCCGZCWMJV-IBGZPJMESA-N 329.419 2.881 0 50 EFAA CN1C(=O)CC[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)[C@H]1c1ccccc1 177849188 JIAUIAGKHJXADV-RDTXWAMCSA-N 349.394 2.506 0 50 EFAA CCc1cccc(OC2CN(C(=O)CCc3c(C)n[nH]c3C)C2)c1 95367520 NYWPAENRVNGNEA-UHFFFAOYSA-N 327.428 2.811 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(CCSc3ccccc3)C2)n1 426580946 JIGPFJHSFRLWKO-OAHLLOKOSA-N 345.468 2.939 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)C(=O)c2ccco2)C1 95501636 JTIVAJOYWZDNEO-CQSZACIVSA-N 329.400 2.865 0 50 EFAA O=C1CC[C@]2(CCCN(c3nccs3)C2)CN1Cc1ccncc1 91943868 ZTTCYZYTNYCTSP-SFHVURJKSA-N 342.468 2.947 0 50 EFAA CNc1ccccc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 293640362 GARQPPSEGMHICG-UHFFFAOYSA-N 333.432 2.858 0 50 EFAA CC(=O)c1ccc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 181209065 ZWXJSRSVZKDNBS-HZPDHXFCSA-N 345.487 3.000 0 50 EFAA CC1(C)C[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)C(C)(C)O1 181734153 ZYBFNDWGDSKIJV-JTQLQIEISA-N 334.342 2.913 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299791461 FVZNLYRQGHMNHK-KSZLIROESA-N 338.455 2.902 0 50 EFAA O=C(CN1CCCCCC1)N[C@@H](Cn1ccnc1)c1ccccc1 827995243 ZBDVOQIPYNDPOO-SFHVURJKSA-N 326.444 2.617 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCN(C)CC1 952987786 LINJWUVZSKKEDQ-CYBMUJFWSA-N 339.867 2.703 0 50 EFAA Cn1cc(Cl)cc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 408518196 WOWGDBLOYFFOLE-SNVBAGLBSA-N 337.773 2.683 0 50 EFAA CCOC(=O)[C@H](CC(C)=O)NC(=O)c1coc2ccc(CC)cc12 408517360 CTFJZIBTENXTOM-HNNXBMFYSA-N 331.368 2.636 0 50 EFAA CC(C)(C)n1cnc(NC(=O)CSCC(=O)c2ccccc2)n1 170594322 IDTPHKOBIUFRTB-UHFFFAOYSA-N 332.429 2.588 0 50 EFAA Cn1c(-c2ccc(NC(=O)c3nccnc3N)cc2)nc2ccccc21 170622047 ZHHFKNFSIZQCKB-UHFFFAOYSA-N 344.378 2.865 0 50 EFAA C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)C(=O)N1CCCC[C@H]1C 170632016 OFOFQNCEKRRFGV-GHMZBOCLSA-N 347.440 2.636 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C3CC3)nc2C)C1 644121736 YPFIJBGYAMJLSS-CJNGLKHVSA-N 326.400 2.593 0 50 EFAA COc1ccccc1C[C@H](N[C@H](C)c1nnnn1C1CC1)C(C)C 192178895 XZBWMOGOOCKIQE-CJNGLKHVSA-N 329.448 2.935 0 50 EFAA CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCn1ccnc1C 1775994315 IXLUJGXVYQLUMP-JKSUJKDBSA-N 336.480 2.817 0 50 EFAA Cc1ccsc1[C@H]1CCN(Cc2ccccc2OCCO)C[C@@H]1O 210018928 HUYCIUHCBNSHPS-IRXDYDNUSA-N 347.480 2.778 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)N(C)CC2CCC2)[C@H]1c1ccccc1 1529112311 KDGIARGBBVGCDI-MOPGFXCFSA-N 344.455 2.622 0 50 EFAA CCn1ncc(C)c1NC(=O)C1CCN(C(=O)C2CCCC2)CC1 1529161374 GQVMVMNXCIXVBK-UHFFFAOYSA-N 332.448 2.579 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)N(CCO)Cc2[nH]cnc2C)cc1 1704335538 OLEKSBZPNIKBOJ-AWEZNQCLSA-N 333.457 2.528 0 50 EFAA N[C@H](c1ccccc1)c1nnc(NCc2ccccc2-n2ccnc2)o1 1772710894 UCKHTBHVXJFPRC-QGZVFWFLSA-N 346.394 2.916 0 50 EFAA Cc1occc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 14964669 KEIFFVCFJUVKSJ-INIZCTEOSA-N 326.396 2.552 0 50 EFAA CCCS(=O)(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14981630 ATQVMEIMECDKGT-GFCCVEGCSA-N 337.445 2.580 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCC(F)(F)C2)c1 328589410 RCBJDIQIHUCXCK-NFAWXSAZSA-N 325.355 2.765 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 644073214 KYECSAKSBGQPEM-GLQYFDAESA-N 343.254 2.711 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 237500249 AESXIKQKSBKOBZ-FZMZJTMJSA-N 333.432 2.830 0 50 EFAA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 11678690 WHBHBVVOGNECLV-VQGUNAKRSA-N 346.467 2.811 0 50 EFAA biogenic O=C(NCc1ccnc(OC2CCCC2)c1)N[C@H]1CCO[C@@H]1C1CC1 253397640 DSKZBRNKTPGEPA-FUHWJXTLSA-N 345.443 2.770 0 50 EFAA CSC[C@H](CCO)NC(=O)c1ccc(-c2csc(C)n2)cc1 253428519 ARJYBJWNFLOKGI-AWEZNQCLSA-N 336.482 2.962 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)N[C@@H]1COc2ccccc2C1 151897574 DUORUVDNAFVLTD-NSHDSACASA-N 340.305 2.571 0 50 EFAA COc1ccc2cc([C@H](C)C(=O)OCCS(C)(=O)=O)ccc2c1 34005963 JGBUBSOKFSVXKS-LBPRGKRZSA-N 336.409 2.540 0 50 EFAA investigational CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccns2)cc1)C(=O)O 901657527 TUEMDUFRUICWIA-NSHDSACASA-N 340.426 2.597 0 50 EFAA CCC[C@]1(C(=O)O)CN(c2ncnc3sc(C)c(C)c23)CC[C@@H]1O 1704344397 PLYZRSJFIVRPOS-SJCJKPOMSA-N 349.456 2.750 0 50 EFAA O=C(Cc1cccc(C(F)(F)F)n1)N1CCc2c(O)cccc2C1 827527920 BPMBGBANGPNJHD-UHFFFAOYSA-N 336.313 2.933 0 50 EFAA Cc1ncc2c(n1)CC[C@H](NC(=O)Cc1ccc(C)c(Cl)c1)C2 929913957 WSIPNWAPBRKRPP-HNNXBMFYSA-N 329.831 2.963 0 50 EFAA Cc1cn2ccc(NC(=O)NCCc3nc4c(s3)CCC4)cc2n1 931973203 RXSIKEGXESQTAC-UHFFFAOYSA-N 341.440 2.952 0 50 EFAA Cn1ccc([C@@H]2CCCN(Cc3nnc(-c4cccc(O)c4)o3)C2)n1 932133399 UCXGOWSGEIEGHQ-CQSZACIVSA-N 339.399 2.555 0 50 EFAA C[C@H]1COc2ccccc2CN1Cc1ccc(OCC(=O)O)cc1 833631406 JPOJRJNZYFDOBA-AWEZNQCLSA-N 327.380 2.933 0 50 EFAA CN1CC[C@H](CN(C)C(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)C1 952994575 YJCPQZIPEMMEBU-LBPRGKRZSA-N 343.393 2.788 0 50 EFAA COc1nccc2c(NC(=O)N[C@@H]3CCc4nccn4C3)cccc12 952995078 CIRLPXKEHPSTDL-GFCCVEGCSA-N 337.383 2.576 0 50 EFAA CCc1nc([C@@H](C)NCC[C@@H](C(F)F)N2CCOCC2)cs1 1875275652 OTUWFWQILMVKCD-YPMHNXCESA-N 333.448 2.712 0 50 EFAA CC(C)(C)OC(=O)c1cc(-c2nc(CCC(F)(F)F)no2)[nH]n1 1875276487 PJSWFMWZHAKVSM-UHFFFAOYSA-N 332.282 2.910 0 50 EFAA COc1cc2c(cc1F)CN(S(=O)(=O)[C@@H]1CCC[C@@H]1C)CC2 1875298700 KOMYDWKJRITHMS-MEDUHNTESA-N 327.421 2.711 0 50 EFAA CCOCc1cccc(S(=O)(=O)Nc2cnc3c(c2)CCC3)c1 1875279781 DEWRHEZCMNEADK-UHFFFAOYSA-N 332.425 2.908 0 50 EFAA CO[C@H](C)c1cn(-c2cccc(CNC(=O)[C@H]3C=CCC3)c2)nn1 1875323442 IYXQHIOUKWTYJP-HIFRSBDPSA-N 326.400 2.557 0 50 EFAA N[C@H]1CCC[C@@H](CN2CCC(n3c(O)nc4ccccc43)CC2)C1 1875318709 SZVQIERLRRTRIH-CABCVRRESA-N 328.460 2.896 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 1875304268 FUHNVXFBZFOLMK-LXIYXOSZSA-N 333.428 2.883 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N=c1cc[nH]cc1OC(C)C)CC2 889952763 DEOHJHPUONBWGW-HNNXBMFYSA-N 326.396 2.968 0 50 EFAA CCN(CC)C(=O)Cn1c([C@H](O)c2ccccc2)nc2ccccc21 4386730 LCLHKSTXEDJXPW-LJQANCHMSA-N 337.423 2.986 0 50 EFAA C[C@@H](c1nnc2n1CC[C@H](c1ccccc1)CC2)N1CCOCC1 2100556122 CWEYFXYFVZNBGS-DOTOQJQBSA-N 326.444 2.791 0 50 EFAA Cc1cccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1 424324 BCSHZJNVRFIJSF-UHFFFAOYSA-N 341.802 2.741 0 50 EFAA O=C(Nc1nnc2ccc(Br)cn12)C(F)(F)CC1CC1 2325769861 BXAMCALRWGDTMU-UHFFFAOYSA-N 345.147 2.866 0 50 EFAA O=C(COC[C@@H]1CCCO1)N1CCC[C@H]1c1cc(F)cc(F)c1F 2325783753 ZBOGHSZPTNTXCN-WFASDCNBSA-N 343.345 2.963 0 50 EFAA Cc1coc(C)c1/C=C/C(=O)NCC1CCC(c2nn[nH]n2)CC1 2325807966 OVRGHANBWNRHIM-BQYQJAHWSA-N 329.404 2.513 0 50 EFAA CC(C)c1conc1CS(=O)(=O)Cc1conc1C(F)(F)F 2325808998 PQRJMJKFKAVWJX-UHFFFAOYSA-N 338.307 2.920 0 50 EFAA C[C@H]1CCO[C@H]1CC(=O)N1CCC(c2cccc(C(=O)O)c2)CC1 2325812913 QWGWKOQDANOWGQ-GUYCJALGSA-N 331.412 2.906 0 50 EFAA O=S(=O)(CCn1cccn1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 867222020 MUTYUFPKOVLZGR-ZWKOTPCHSA-N 341.436 2.512 0 50 EFAA C[C@@H]1C[C@@H](CCC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1 207955 VVGNCDLYLSQNQK-NXEZZACHSA-N 340.832 2.885 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCC1 321177 JXFOVZPKHBKJJI-UHFFFAOYSA-N 331.416 2.613 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)cc1 454649 ZHICMESPHBPVFK-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 469297 XARAGYCQNKKOHK-UHFFFAOYSA-N 328.387 2.862 0 50 EFAA COCCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 2257747 CABJPTOAWBERHQ-UHFFFAOYSA-N 342.399 2.768 0 50 EFAA CC1(C)NC(=O)N(CCCOc2ccccc2Br)C1=O 2862529 AYWWSTBXFYYPPF-UHFFFAOYSA-N 341.205 2.548 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2nc3ccccc3s2)C1 4983879 NLSGKSVGSQANDG-GFCCVEGCSA-N 347.440 2.510 0 50 EFAA Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC1CCCCC1 9257854 SRTKRUMQMJQYIW-CYBMUJFWSA-N 345.472 2.900 0 50 EFAA COC(=O)CN(C(=O)c1cccc2c1ccn2C)c1cccc(C)n1 225591164 SUXXTOTWFLVOSJ-UHFFFAOYSA-N 337.379 2.702 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc2c(c1)OCCO2 20907311 CYFTVDAGIOATHI-KRWDZBQOSA-N 349.390 2.826 0 50 EFAA Cc1ccc(NC2(C(=O)NCCSc3ncn[nH]3)CCCC2)cc1 55284429 WLGVHDGDPVLJQB-UHFFFAOYSA-N 345.472 2.746 0 50 EFAA CCn1nc(C)c(CN(CCOC)Cc2nc(C)ccc2O)c1C 55099190 ADBUIRHNLZOXGD-UHFFFAOYSA-N 332.448 2.577 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCC[C@@H]3Cn3cccn3)c(C)c2c1 67965283 TWGPHKAFTZPTSR-CQSZACIVSA-N 338.411 2.986 0 50 EFAA C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)c2cncs2)C1 67714158 IUHWCKHDTSXDSE-WTWVRAIASA-N 331.441 2.891 0 50 EFAA C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 67630421 KFKVDACLFMYYBF-BXUZGUMPSA-N 330.428 2.839 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H]1OCCc2sccc21 248163663 YWFIEENCTGVTQH-BZUAXINKSA-N 334.485 2.837 0 50 EFAA CCc1cc(C(=O)NC2=C(C)N(Cc3ccccc3C)N[C@@H]2C)no1 20191907 KEKQIOKZXBRGSD-CYBMUJFWSA-N 340.427 2.916 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@]12CCOC2 1363069621 LANLDGTYVZPACI-QGZVFWFLSA-N 349.793 2.978 0 50 EFAA CC(C)Cc1nc([C@H]2CC(=O)N(CC(C)C)C2)n(-c2ccccn2)n1 65533059 IDXJNTNMFWHKAL-HNNXBMFYSA-N 341.459 2.833 0 50 EFAA Cc1cc(N2CCC[C@@H](c3ncc(Br)cn3)C2)ncn1 1364250024 ISNKOPASQINJFV-LLVKDONJSA-N 334.221 2.722 0 50 EFAA O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21 350115324 AFPWDDYVTABLOL-UHFFFAOYSA-N 340.408 2.544 0 50 EFAA C[C@H](CCc1ccco1)NC(=O)c1cn2c3c(cccc3c1=O)CC2 65502484 HQFCYWHWOZXDMP-CYBMUJFWSA-N 336.391 2.902 0 50 EFAA COc1cccc(C[C@@]2(CO)CCCN(c3nc(C)ncc3C)C2)c1 67650133 WYEJMJRDYGPOAY-FQEVSTJZSA-N 341.455 2.924 0 50 EFAA CC(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)CC1 67712838 LVMQUYTXTJZIFZ-QGZVFWFLSA-N 344.455 2.972 0 50 EFAA COC(=O)c1c(NC(=O)/C=C(\C)C(=O)O)sc2c1CC[C@@H](C)C2 2783154 OKPPJNQZQYHZNK-KGOFQHAKSA-N 337.397 2.629 0 50 EFAA CC(C)[C@H]1CCCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 252370750 YXYJESICWVJGNI-IEBWSBKVSA-N 329.488 2.750 0 50 EFAA Cc1c(O)cccc1C(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 77486265 OGUBPPKLCYZGSO-FQEVSTJZSA-N 342.439 2.708 0 50 EFAA CCc1oc(C(=O)N(Cc2cccnc2)C[C@H]2CCNC2)cc1C 328633450 MAXFNTYQXZLVEO-INIZCTEOSA-N 327.428 2.797 0 50 EFAA Cc1cccc(-n2ccnc2CN[C@H]2CCCN(c3ncccn3)C2)c1 12316604 GELXFVVJIHTDSQ-KRWDZBQOSA-N 348.454 2.729 0 50 EFAA CON(C)C(=O)[C@H](CCSC)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 252585464 IRHAVIRJKYKHCE-VTMBPIDISA-N 326.506 2.542 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCN(c3ccnc(C4CC4)n3)CC2)no1 328638526 PCPRWZJLRANRKM-OAHLLOKOSA-N 342.447 2.536 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1ccc3ncsc3c1)CCNC2 72407833 CRJOZVVXLOKBMN-UHFFFAOYSA-N 338.436 2.575 0 50 EFAA CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cn1 120866223 YNHIUOUANCZHIK-UHFFFAOYSA-N 342.790 2.634 0 50 EFAA CC(C)c1nnc2n1CCN(c1cc(Cl)c3cc[nH]c3n1)CC2 72165961 GXRNPDJZZGZYFT-UHFFFAOYSA-N 330.823 2.994 0 50 EFAA CC(=O)N[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1 215589705 QDHHQTFLIXLEQS-AWEZNQCLSA-N 345.830 2.937 0 50 EFAA COC(=O)C1(C(=O)N2CC[C@H](Cc3ccc(C(F)F)cc3)C2)CC1 328588121 VQHXGITYMACMHQ-CYBMUJFWSA-N 337.366 2.968 0 50 EFAA CC(=O)c1csc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 172793197 WBXHOGNOAIPPLB-NHYWBVRUSA-N 342.420 2.875 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)[nH]n1 152778803 WNJYQJOFHFOQQD-HNNXBMFYSA-N 346.475 2.519 0 50 EFAA Cc1nc(CN2C(=O)N[C@@](C)(c3cc(F)cc(F)c3)C2=O)oc1C 155602047 BHSBVPSKRKAGJO-INIZCTEOSA-N 335.310 2.537 0 50 EFAA CNc1nc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cs1 77453462 CXNWOPIQGQFMNZ-UHFFFAOYSA-N 327.413 2.643 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc12 126387673 HPPPDSANNSGXLM-CYBMUJFWSA-N 349.394 2.796 0 50 EFAA Cc1cc(C)nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)n1 72424530 HCQBJSXIYNGGBJ-UHFFFAOYSA-N 327.428 2.727 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1ccc(-n2ccnn2)cc1 376040666 BDZBVAQTOMMWTG-LZQZEXGQSA-N 341.459 2.569 0 50 EFAA CN(C)CC(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 372622426 VRWLDRIKQABNAC-UHFFFAOYSA-N 347.459 2.552 0 50 EFAA Cc1noc(C)c1C[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237512793 SWPYCDKHSADEFY-APPDUMDISA-N 342.395 2.508 0 50 EFAA C[C@@H]1CN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC(=O)N1C 282160855 LQXYBCPFIHRDSZ-SECBINFHSA-N 327.306 2.509 0 50 EFAA Cc1nnc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)s1 338629071 WEMABMJNGOUVKF-UHFFFAOYSA-N 346.393 2.951 0 50 EFAA COc1cc2[nH]c(O)nc2cc1NC(=O)N1C[C@H]2CC=CC[C@H]2C1 426737542 SPIJYXOZGUEKPD-PHIMTYICSA-N 328.372 2.707 0 50 EFAA CC[C@@H]1C=CCN1C(=O)c1ccc(-c2nc(OC)cc(OC)n2)cc1 426677951 ZCPANRWWMONYRW-OAHLLOKOSA-N 339.395 2.951 0 50 EFAA CC(C)CN1CCC[C@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 82039501 ROENUCBUEMYRSL-LBPRGKRZSA-N 333.461 2.922 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cnc2cnccn12 221348084 OGHAUMMUFOOYOD-UHFFFAOYSA-N 347.378 2.552 0 50 EFAA O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)N1CCOCC1 426372370 UAYNXSFTHMUUFB-MRXNPFEDSA-N 332.375 2.983 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1ncnn1C 176453742 SVUHWYSAQKYUQG-ZDUSSCGKSA-N 327.432 2.608 0 50 EFAA Cc1ccccc1-c1noc([C@H](c2cccnc2)N2CCOCC2)n1 95373724 KUGKMKQFAUAVLZ-KRWDZBQOSA-N 336.395 2.862 0 50 EFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1ccco1 97635172 KAGOUYNFIYDSOF-OAHLLOKOSA-N 339.399 2.630 0 50 EFAA CC(C)N1CCO[C@H](CC(=O)NCc2ccc3c(c2)CCCC3)C1 97604138 UPEPENDSSUSXIM-LJQANCHMSA-N 330.472 2.681 0 50 EFAA Cc1noc(CC2CCN(Cc3c(C)nc4ccccn34)CC2)n1 97742879 GGXAXRWPASNUAX-UHFFFAOYSA-N 325.416 2.789 0 50 EFAA Cc1cc(C)c(CN(C)CCc2noc(C)n2)c(-n2cccn2)c1 97259342 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2.778 0 50 EFAA CCOc1ccc(C)cc1S(=O)(=O)N[C@@H](CC)c1ncc(C)[nH]1 823387179 IGHOYUHGXVADAR-ZDUSSCGKSA-N 337.445 2.855 0 50 EFAA COCc1c(Cl)cccc1NC(=O)N(C)[C@H](C)C[S@@](C)=O 162810832 HPGZLDGBVWHOHE-UZJPJQLHSA-N 332.853 2.717 0 50 EFAA CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2scnc2C)C1 983929704 GQFKHVHUOPBUHV-RBSFLKMASA-N 349.500 2.951 0 50 EFAA Cc1c(NC(=O)c2ccc3c(c2)OCCO3)cccc1C(=O)N(C)C 952975894 ZITDLILHRZOQDZ-UHFFFAOYSA-N 340.379 2.720 0 50 EFAA Cc1ccc(NC(=O)Cc2cccs2)cc1NC(=O)CN(C)C 952984300 ZADYMIUTUCZZFO-UHFFFAOYSA-N 331.441 2.738 0 50 EFAA Cc1cc(F)ccc1N1CCC(N(C)C[C@H](C)N2CCOCC2)CC1 952981602 OFWNKPFAQZEBDN-KRWDZBQOSA-N 349.494 2.755 0 50 EFAA Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)s1 305188587 FXEVAUDSTNFUNJ-GFCCVEGCSA-N 331.846 2.722 0 50 EFAA Cc1csc(N2CCN(C(=O)N[C@@H](C)c3cscn3)CC2)n1 661649799 ZUHDNHLZBXEALW-NSHDSACASA-N 337.474 2.501 0 50 EFAA NC(=O)c1cccc(-c2noc(-c3cncn3-c3ccc(F)cc3)n2)c1 685245921 JUILCHFVAYJULB-UHFFFAOYSA-N 349.325 2.827 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@@H]3C(C)=CCC[C@H]3C)CC2)nn1 170604389 LNGLKOSYOVDCPY-GDBMZVCRSA-N 332.448 2.694 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H](C)c2ccccn2)n1 190416896 CVXWGBJGCIUAIE-ZDUSSCGKSA-N 337.387 2.557 0 50 EFAA O=C(O)c1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1 647447739 YGLYKHBOFSGZDN-NSHDSACASA-N 340.305 2.837 0 50 EFAA O=C(N[C@@H]1CCCCC12OCCO2)c1cnc(-c2ccncc2)s1 764920921 JBZKYSWEWLBRMN-CQSZACIVSA-N 345.424 2.621 0 50 EFAA CN(C)CCN(CC(=O)O)C(=O)c1ccc(-c2cccc(F)c2)cc1 1506422298 PVEZKWRJCDXPTN-UHFFFAOYSA-N 344.386 2.581 0 50 EFAA O=C(CCc1cn[nH]c1)NCc1nc(-c2ccc(F)cc2)cs1 1506408290 RADHRTQSIOYIKL-UHFFFAOYSA-N 330.388 2.921 0 50 EFAA O=C1CO[C@H](C(=O)NCCC2CCCCCC2)[C@@H](c2ccccc2)N1 1529095944 ZPVJIVNVBZEMFC-MOPGFXCFSA-N 344.455 2.719 0 50 EFAA CCCOc1ccccc1C(=O)N1CC[C@](CCC)(C(=O)O)[C@@H](O)C1 1704344856 PIXDPSSVTZYBEB-LPHOPBHVSA-N 349.427 2.553 0 50 EFAA CCCn1ncc(CN2CCC(n3nccc3NC(C)=O)CC2)c1C 11951642 POEKGHNOTVEJKB-UHFFFAOYSA-N 344.463 2.594 0 50 EFAA Cc1nc(S[C@H](C)C(=O)N2CCOCC2)cc(-c2ccccc2)n1 12000980 VXVQUULNSDPIJB-CYBMUJFWSA-N 343.452 2.791 0 50 EFAA Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)s1 12457946 XVUYRRVNSIHMJH-CQSZACIVSA-N 349.500 2.742 0 50 EFAA CC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)nc1C 13945712 DNEYWTYLASPSOA-UHFFFAOYSA-N 330.819 2.968 0 50 EFAA C[C@H](CN1CCC(CN2CCOCC2)CC1)n1cnc2ccccc21 19112628 HMMOMFKCWLQBTP-QGZVFWFLSA-N 342.487 2.642 0 50 EFAA COc1cccc(CN2CCN([C@@H]3CCCC[C@@H]3OC)CC2)c1OC 19788298 GBGPSUOLCICWGQ-MSOLQXFVSA-N 348.487 2.779 0 50 EFAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1Cl 19808729 KAZQGIYUODXOOE-UHFFFAOYSA-N 342.178 2.794 0 50 EFAA O=C1C[C@@H](n2ccnc2-c2ncc[nH]2)CN1c1ccccc1Cl 1857730475 SVKOFZAILHHWGG-LLVKDONJSA-N 327.775 2.905 0 50 EFAA COc1ccc(Cn2cc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)nn2)cc1 206138183 HPVMFVDLQWSFOI-MSOLQXFVSA-N 348.406 2.621 0 50 EFAA O=C(c1ccc2cc[nH]c2n1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 329948959 ZNUWFHHDFQMTNH-HDICACEKSA-N 346.434 2.767 0 50 EFAA CC(C)c1c(C(=O)N2CC[C@H](N)C2)cnn1-c1cccc(Cl)c1 236868489 IKERHTAIEVIYFQ-ZDUSSCGKSA-N 332.835 2.822 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c2cccc(C)c12 362260309 HGLQTURHJVUTSV-SFHVURJKSA-N 347.418 2.723 0 50 EFAA CSC1(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCC1 362425477 ZSAKCTGDTUJKCY-UHFFFAOYSA-N 347.419 2.903 0 50 EFAA O=C(c1conc1C1CC1)N1CCC[C@](CO)(c2ccccc2)C1 367955098 GIDHICZVCIOCMT-IBGZPJMESA-N 326.396 2.718 0 50 EFAA CCO[C@@H](CNC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 377084162 QTUHMUOXYDNVAO-KRWDZBQOSA-N 332.444 2.976 0 50 EFAA Cc1cnc(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)nc1 933637431 KXGZFJDSBLCRLE-MRXNPFEDSA-N 344.846 2.833 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)cc(=O)n1C 1875310588 VJOVFGYOLBSAIN-ZDUSSCGKSA-N 344.386 2.558 0 50 EFAA Nc1nnc([C@H]2CCCN(C[C@H](O)c3ccc4ccccc4c3)C2)o1 878947531 YCTXSEARLPLJGF-IRXDYDNUSA-N 338.411 2.718 0 50 EFAA O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@H](NCCO)C1 888096829 SCDDJTNVXCHFDY-QGZVFWFLSA-N 339.439 2.617 0 50 EFAA Cn1cncc1CNc1cc(F)c(F)cc1I 347759000 ZXYYSZLOMRPPGE-UHFFFAOYSA-N 349.122 2.915 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2coc(Br)c2)CC1 299746772 ZRHDAIPRFOQAGN-SECBINFHSA-N 330.178 2.759 0 50 EFAA CC(C)(C)OC(=O)NCCN1CCC(Nc2cccc(CO)c2)CC1 893897339 VPIKDDUWTMWOHH-UHFFFAOYSA-N 349.475 2.580 0 50 EFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 4653370 YQNUBYFIMKNSHQ-QGZVFWFLSA-N 347.436 2.968 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3cc(C(F)F)cs3)C2)nn1 2325791887 GKFMRGQGXNQFKT-JTQLQIEISA-N 342.371 2.813 0 50 EFAA Cc1nc2n(n1)C[C@H](Nc1cccc(-n3cnc4ccccc43)n1)CC2 892286112 CFRIWDXQINTSKZ-CQSZACIVSA-N 345.410 2.747 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 196375 NNMDHFWOHHWNNH-GFCCVEGCSA-N 328.290 2.896 0 50 EFAA Cc1ccc(C(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)cc1 302717 ACCCAEOJKLNETJ-MRXNPFEDSA-N 349.312 2.891 0 50 EFAA Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 395808 SXQBZCPLDIXPDK-UHFFFAOYSA-N 341.396 2.733 0 50 EFAA COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 1781065 WXTIRVLLNWBZCV-UHFFFAOYSA-N 345.351 2.736 0 50 EFAA COc1ccc(OC)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 2901500 VRCXHEDNMZUDSP-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2[nH]1 4148351 BSDHVNMXPNNAJA-UHFFFAOYSA-N 339.376 2.810 0 50 EFAA CN1CCO[C@@H]([C@@H](NCCc2cccnc2)c2ccc(Cl)cc2)C1 221864338 GTCDEQIXSMVXAZ-MOPGFXCFSA-N 345.874 2.939 0 50 EFAA C[C@@H]1CCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@@H]2CCCC[C@@H]12 222151234 MAYOISKPWRTAQZ-FHLIZLRMSA-N 344.455 2.520 0 50 EFAA CCC(=O)NCC1CCN(CC2=Cc3cc(OC)ccc3OC2)CC1 67975414 KODNVHABZSKRRC-UHFFFAOYSA-N 344.455 2.709 0 50 EFAA Cc1ccc(CN2CC[C@H](CNC(=O)C3(N)CCCC3)C2)cc1C 67726103 DCZSVLPEUVSDEA-GOSISDBHSA-N 329.488 2.513 0 50 EFAA CC(=O)N(C)c1ccc(NC(=O)CNCCc2cccs2)cc1 65433084 ZXUTZCRNDYSRGY-UHFFFAOYSA-N 331.441 2.502 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3nc(C)ns3)[C@H](C)C2)cc1 63834547 RRKAZSVPJHTBSM-GFCCVEGCSA-N 331.445 2.898 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c(F)c1 348253112 CMFDWKWAEPYOAG-DYVFJYSZSA-N 333.334 2.922 0 50 EFAA COc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1Cl 170622278 LWQBKRUIMBHHEH-UHFFFAOYSA-N 349.822 2.780 0 50 EFAA Nc1nc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n[nH]1 65363618 NOYGUBRJVLZGQX-CQSZACIVSA-N 339.424 2.537 0 50 EFAA CC(C)n1ccnc1CN1CC[C@H](CNC(=O)c2ccsc2)C1 67841792 XPNRLORLKUYMGQ-CQSZACIVSA-N 332.473 2.777 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2nncn2C2CCCCC2)n(C)n1 65526177 BHGLHHZHARWBAU-UHFFFAOYSA-N 344.463 2.645 0 50 EFAA Cc1cccc(=O)n1CCCNC(=O)c1scc2c1CCCC2 215496515 ZAIWVUSRCJNZLB-UHFFFAOYSA-N 330.453 2.917 0 50 EFAA O=C(OCC[C@@H]1Oc2cccnc2NC1=O)c1ccc(Cl)cc1 1390505 WPWHSQXAQRRENU-ZDUSSCGKSA-N 332.743 2.682 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3CC)C2=O)cc1 33293646 DEYMRGFPFBMRFM-RHSMWYFYSA-N 330.428 2.982 0 50 EFAA Fc1cccc(CN2CCN(Cc3cccc4nonc34)CC2)c1 72165462 IFFWNHGVCPGLOR-UHFFFAOYSA-N 326.375 2.680 0 50 EFAA CN1CCC[C@H](CCNC(=O)c2ccccc2-c2nccn2C)C1 71278576 NXFZOCZMXANLDI-OAHLLOKOSA-N 326.444 2.549 0 50 EFAA CCc1c(C(=O)N2CC[C@H](C(=O)OC)[C@@H]2C(C)C)cnn1CC(C)C 328592984 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Cc1c(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)[nH]c2ccc(F)cc12 72119461 UERSJDCXRFCWBK-SFHVURJKSA-N 345.374 2.672 0 50 EFAA COc1ccc(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)c(O)c1 71714540 AEEFFSPNRNQVHV-GOSISDBHSA-N 346.471 2.983 0 50 EFAA c1cn([C@H]2COC[C@@H]2N2CCCC2)c(-c2ccc(-c3cc[nH]n3)o2)n1 77287375 RMINVOQQGKBBHF-GJZGRUSLSA-N 339.399 2.569 0 50 EFAA CC[C@@](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)(C(=O)O)c1ccccc1 262501257 ZEFREEOHVDCWGA-BUXKBTBVSA-N 343.427 2.647 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1n[nH]c2ccccc12 72462812 WJXMEHCLBJRXPU-MRXNPFEDSA-N 334.423 2.692 0 50 EFAA COc1cnc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)nc1 77536840 IRPRZQAFCPBVDX-LJQANCHMSA-N 344.459 2.637 0 50 EFAA COCCn1cnnc1CCn1ccnc1-c1ccccc1Cl 72436279 YSUIJWIFNGMVJP-UHFFFAOYSA-N 331.807 2.684 0 50 EFAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1 157345634 GQGSWVASGJNFBJ-GBESFXJTSA-N 341.432 2.896 0 50 EFAA O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2ccncn2)CC1 333869210 BJIXLQRHNCSTSU-UHFFFAOYSA-N 343.452 2.534 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 262766914 KXFNBCLYPTVYTD-GUYCJALGSA-N 340.379 2.678 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 377107254 XDBIPHMPDGHWSC-AWEZNQCLSA-N 326.396 2.826 0 50 EFAA CC(C)n1cc(C(=O)NCCc2csc(-c3ccncc3)n2)cn1 77427406 CMZWSTLWTKIROJ-UHFFFAOYSA-N 341.440 2.955 0 50 EFAA Cc1cc(C)n(C[C@H]2CN(C(=O)c3occc3C(C)C)CCO2)n1 283877387 HQPXTDBQFKTYPE-OAHLLOKOSA-N 331.416 2.758 0 50 EFAA COc1ccccc1[C@@H](C)NC(=O)CN1CCOC2(CCCCC2)C1 173849654 VWBCUACQGHBLRV-MRXNPFEDSA-N 346.471 2.908 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C)c1 263237388 RGLIVSNIOBYEPJ-GJZGRUSLSA-N 331.412 2.978 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCO[C@@]2(CCCOC2)C1 286299860 JTHMNOUUSFYELR-IBGZPJMESA-N 326.396 2.703 0 50 EFAA CC[C@@H]1[C@@H](NC(=O)c2cnc(Nc3ccccc3)nc2)[C@@H]2CCO[C@@H]21 220697647 YHZMKTVWQPHHCC-YYIAUSFCSA-N 338.411 2.764 0 50 EFAA Cc1nc(CNC(=O)N2CCC(Oc3ccncc3)CC2)cs1 426555910 ONUQRZBXLWGQSI-UHFFFAOYSA-N 332.429 2.600 0 50 EFAA COc1ccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 18282612 RNPZLBVYTMWNMV-RVDMUPIBSA-N 334.353 2.657 0 50 EFAA CC(C)c1nc([C@H]2CCCN2C(=O)NCCc2cccnc2)no1 177381876 KGQPPGAISAOSCJ-CQSZACIVSA-N 329.404 2.677 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 223576203 QCIICMIPGFZSDO-IAGOWNOFSA-N 344.455 2.946 0 50 EFAA COC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnc(C)o2)ccc1OC 96152412 OEDSERFIAJQBMW-ZDUSSCGKSA-N 346.387 2.696 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(c3nc4c(cc3C(=O)O)CCC4)C2)n1 96141872 XLYXASAEMKNFJB-CQSZACIVSA-N 326.400 2.533 0 50 EFAA CCCc1nnsc1C(=O)N(C)Cc1cc(-c2cccnc2)no1 95371196 HGIOWFXTAJDGIA-UHFFFAOYSA-N 343.412 2.813 0 50 EFAA Cc1ccc(-c2cc(-c3nc(CC4CCN(C)CC4)no3)[nH]n2)o1 96147964 MMLRIMFTEVWGRL-UHFFFAOYSA-N 327.388 2.912 0 50 EFAA Cn1cc(NC(=O)NCCCSCc2ccccc2Cl)nn1 97743471 PVNYYSHZHDALBM-UHFFFAOYSA-N 339.852 2.914 0 50 EFAA CCCc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3C)C2)[nH]n1 91792853 WIPLJSHBVYSRQE-HNNXBMFYSA-N 326.444 2.927 0 50 EFAA Cc1cc(C)c(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)cn1 91587103 OXSMEVJZFXQCOX-INIZCTEOSA-N 329.444 2.706 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NC[C@@]3(O)CCC[C@H]3C)c12 294131588 KTGYWFIBLPBJIX-YJYMSZOUSA-N 330.428 2.776 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 91380894 GGQFIWWBKYYPPE-UHFFFAOYSA-N 349.438 2.983 0 50 EFAA COc1ccc(OC[C@H]2CCCN(c3nc(CO)cs3)C2)cc1 95502697 VUXXOBRNTQCLGA-ZDUSSCGKSA-N 334.441 2.939 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)s1 239121159 JKOUQLIZMZQCSU-WTTBSCSTSA-N 349.408 2.559 0 50 EFAA Cc1ccccc1[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)N(C)C 244882612 XVBAYHIFUKYKGO-ZOBUZTSGSA-N 332.444 2.605 0 50 EFAA C[C@H](Nc1cncc(C(=O)N(C)C)n1)c1ccccc1-n1cccn1 342665571 DMACGPDYJXXPBA-ZDUSSCGKSA-N 336.399 2.537 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1coc(Br)c1 299388451 ZNDSTUZYBGNKLG-GDPRMGEGSA-N 342.189 2.900 0 50 EFAA Cc1ccc(N2CCC(C(=O)Nc3n[nH]c(C4CCC4)n3)CC2)nc1 184544675 BECNOOUPGOACOV-UHFFFAOYSA-N 340.431 2.631 0 50 EFAA CCN1CCC[C@@H](NC(=O)N(C)CCCOc2ccccc2OC)C1 534655886 WDECPZSOUZGKNM-MRXNPFEDSA-N 349.475 2.590 0 50 EFAA Cc1ccc2[nH]nc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)c2c1 299801898 YYRJTJOQJZUSDU-CQSZACIVSA-N 341.411 2.754 0 50 EFAA CCn1c(C)cc2cc(NC(=O)N[C@@H](C)Cn3cncn3)ccc21 299791462 CWMWLYKKPJRBKV-LBPRGKRZSA-N 326.404 2.771 0 50 EFAA CCNC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 823123339 HAUNPWNPPXDWPW-VIFPVBQESA-N 330.215 2.983 0 50 EFAA C[C@@H](NC(=O)c1cnc(C2CC2)nc1O)c1ccccc1-n1cccn1 828197336 FCDSAEAOXWBELC-GFCCVEGCSA-N 349.394 2.736 0 50 EFAA Cc1cc(C)n(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1 823765065 SAZVUWSMCKTYOT-UHFFFAOYSA-N 342.443 2.612 0 50 EFAA O=C(CCCn1cccn1)N[C@H]1CCCN(Cc2cccs2)C1 828013009 JOHAWZPSZHLHKA-HNNXBMFYSA-N 332.473 2.506 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)Cc1ccccc1OC 823819633 GVBQWXOTRYSIMX-UHFFFAOYSA-N 326.396 2.555 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCc2ccc3c(c2)OCCCO3)n1 670472361 TXKDBTXDMKLIBT-UHFFFAOYSA-N 343.427 2.758 0 50 EFAA CCCNC(=O)c1ccc(C)c(NC(=O)Cn2nc(C)cc2C)c1 952977249 UWKQSOYQJPGCEK-UHFFFAOYSA-N 328.416 2.587 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NC3(CO)CCCC3)cc2F)n1 305660271 RARUWOCVXVTDHJ-UHFFFAOYSA-N 331.391 2.663 0 50 EFAA CCNC(=O)c1cccc(NC(=O)CN2CC[C@H](C)C3(CCC3)C2)c1 271378654 SQNCMUMIBXYOMN-HNNXBMFYSA-N 343.471 2.887 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)o1 275299758 GXDYJUOUILQUEE-XEZPLFJOSA-N 332.404 2.602 0 50 EFAA Cc1cc(F)c(Br)cc1NC(=O)CCc1nnc[nH]1 170608612 HIRDSTIXNOFUQM-UHFFFAOYSA-N 327.157 2.586 0 50 EFAA CSC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 189105953 DZJYBUWHPGQHLA-GFCCVEGCSA-N 342.823 2.596 0 50 EFAA CC[C@@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1ccncc1 189248026 LMQPBBJKSJKRMN-HZPDHXFCSA-N 345.472 2.766 0 50 EFAA CC[C@H](C(=O)O)N1CCO[C@H](c2ccccc2Br)C1 191413463 SYBVNCMILMUXES-OLZOCXBDSA-N 328.206 2.686 0 50 EFAA CC(=O)N(C)CC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 194416533 MDCXWXFOQAHKNZ-UHFFFAOYSA-N 340.248 2.724 0 50 EFAA COc1c(CN2CCC(O)(c3ccccc3Cl)CC2)c(C)nn1C 194950391 CAZPYGOKMSNFPJ-UHFFFAOYSA-N 349.862 2.874 0 50 EFAA COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCc2c(OC)cccc21 194916280 KBKVGNOBKCXIJW-CVEARBPZSA-N 342.443 2.935 0 50 EFAA O=C(c1ccco1)N1CCCN([C@H]2CCN(c3ccccc3)C2)CC1 1506409230 GHRQOTKUYJMZQN-SFHVURJKSA-N 339.439 2.706 0 50 EFAA CC(C)C(=O)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 213068701 SPAPOVXIFXZJRF-CABCVRRESA-N 336.819 2.570 0 50 EFAA Cc1cccc(CCN2CCCN(C(=O)Cc3cccs3)CC2)n1 1772704342 FGFPMUYZUUVRGH-UHFFFAOYSA-N 343.496 2.771 0 50 EFAA Cc1cncc(N2CCCN(C(=O)CCCc3cccs3)CC2)n1 1772814799 BSYPFRLPTGTDKL-UHFFFAOYSA-N 344.484 2.908 0 50 EFAA CC(=O)Nc1ccc(C(=O)[C@@H](O)c2ccc(NC(C)=O)cc2)cc1 5431717 CJOZJOYUNVCREY-KRWDZBQOSA-N 326.352 2.520 0 50 EFAA O=C1O[C@@H]2CN(CCCc3ccccc3)C[C@@H]2N1Cc1ccccn1 11821561 KMLZAKOZLOMWPD-RBUKOAKNSA-N 337.423 2.719 0 50 EFAA CC(C)NC(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 11878657 VABAOJCFOYDABQ-LJQANCHMSA-N 335.492 2.999 0 50 EFAA CSc1ccc(CC(=O)N2CCc3nnc(C(C)C)n3CC2)cc1 12160137 FKJGPTRGQNDKGW-UHFFFAOYSA-N 344.484 2.751 0 50 EFAA COCCNc1nc2nonc2nc1N[C@@H](C)c1ccccc1Cl 12385787 RBQWIMJVRSKSDX-VIFPVBQESA-N 348.794 2.898 0 50 EFAA CN(C)c1nc2nonc2nc1N[C@H](c1ccccc1)c1ccco1 15078639 CEOMOBSASDXVDF-CYBMUJFWSA-N 336.355 2.873 0 50 EFAA CN1c2cc(C(=O)NC3CCCCC3)ccc2C(=O)N2CCC[C@@H]21 169765814 VQXQRGPEQAXKEU-QGZVFWFLSA-N 327.428 2.761 0 50 EFAA COc1ccc2cc(-c3nccn3C[C@H]3CCCO3)c(O)nc2c1 1857682651 LDAZMRXTOYCODK-CQSZACIVSA-N 325.368 2.992 0 50 EFAA CNC(=O)CCc1cccc(-n2ccnc2-c2ccnc(OC)c2)c1 1857689853 MPASDHMQAKRYKX-UHFFFAOYSA-N 336.395 2.622 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(CC[C@H]1CCOC1)CC2 1857700360 AMIMYBDTYLIHLQ-INIZCTEOSA-N 325.456 2.914 0 50 EFAA C[C@@]1(C(=O)NCC2(c3cccc(F)c3)CCOCC2)C[C@H]2CC[C@H]1O2 225627216 HFLWTFDIGFAZHK-ZHALLVOQSA-N 347.430 2.948 0 50 EFAA O=C(O)CCCN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 116367759 TXNOESHRGFLJCC-UHFFFAOYSA-N 345.226 2.616 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)COc3ccc(F)cc3Cl)C2)n1 331638428 WYXKPPHBHHOYFN-JTQLQIEISA-N 339.754 2.565 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC(NCc3ccc[nH]3)CC2)cc1 252496354 PHMBFGBZAMJKLL-UHFFFAOYSA-N 347.484 2.567 0 50 EFAA COCc1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)O)c1 901737217 BOGAUCLIHSDJRY-UHFFFAOYSA-N 329.352 2.915 0 50 EFAA CN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)C1(C(F)(F)F)CC1 906214313 JWRZAWTURUKPLF-UHFFFAOYSA-N 344.333 2.759 0 50 EFAA C[C@H]1Cc2cc(CNC(=O)c3ccccc3Cn3ccnn3)ccc2O1 830820254 DQVBPBGDGKIGAI-AWEZNQCLSA-N 348.406 2.580 0 50 EFAA Brc1cnc([C@H]2CCCCN2Cc2csnn2)nc1 932518444 IVKMDCLIFDOQEA-LLVKDONJSA-N 340.250 2.818 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(F)c1O 935864896 RXSQPPOYINFZTC-VGPLMAKISA-N 347.365 2.955 0 50 EFAA COCc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1 1875289770 NLOHDNNACPKDGK-NWDGAFQWSA-N 329.400 2.508 0 50 EFAA COc1ccc(F)cc1CN1CCC[C@@H](c2nc(C)c(C(=O)O)[nH]2)C1 1875280312 RMLGFAURURZPEC-GFCCVEGCSA-N 347.390 2.944 0 50 EFAA CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CC2CC(F)C2)cc1 1875276089 MIYBCWWLBARKEY-UHFFFAOYSA-N 340.420 2.546 0 50 EFAA COc1ccc(F)cc1CN1CCC[C@H]1c1ncc(C(=O)O)cn1 1875282974 ZWOYUYRMYIOCKA-AWEZNQCLSA-N 331.347 2.660 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 1875280696 WYVFWJAFSKCLGP-UHFFFAOYSA-N 334.383 2.710 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCCc2c1cnn2C1CCCC1 1875370469 PTDLNGCCPGNYQE-MRXNPFEDSA-N 344.459 2.526 0 50 EFAA Cc1ccc(-c2csc(NC(=O)C[C@@H]3CCNC3=O)n2)cc1C 878011384 YYVULLZXUHBRBD-ZDUSSCGKSA-N 329.425 2.892 0 50 EFAA CO[C@]1(c2nnc(-c3cc(-c4cc(F)ccc4F)no3)o2)CCOC1 886086509 VMLXTBDHKHYLEV-MRXNPFEDSA-N 349.293 2.932 0 50 EFAA COc1ccc2c(c1)CN(C(=O)NCc1cnc(OC)c(Cl)c1)C2 888094048 YYUJAXWEEXEBRP-UHFFFAOYSA-N 347.802 2.978 0 50 EFAA CN(CC1=CCCOC1)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccn1 888101675 LBUCUOLSMMPCKE-AEFFLSMTSA-N 329.444 2.781 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1coc(-c2ccccc2Cl)n1 889189710 GOYVLVUUUXKNEL-TZMCWYRMSA-N 336.775 2.529 0 50 EFAA Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H](C)c1cncs1 889519279 IVLZPDCDNWWODJ-LLVKDONJSA-N 329.429 2.613 0 50 EFAA CN1CCC[C@H]1c1cc(C(=O)NCCc2cc3ccccc3o2)n[nH]1 896509867 ZUHLOAYWTGYIQU-KRWDZBQOSA-N 338.411 2.895 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@H]1c1ncccn1 898963417 LTUNMWWKHOFESG-FTRWYGJKSA-N 335.407 2.881 0 50 EFAA C[C@@H](CN(C(=O)c1cc(F)ccc1Br)C1CC1)C(=O)O 237463196 WPXAYMVIHDRCKG-QMMMGPOBSA-N 344.180 2.914 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2ccsc2)nc1 2325769531 SHFDJBHHSVYGFQ-NFAWXSAZSA-N 328.393 2.888 0 50 EFAA Cc1nn(C2CCOCC2)cc1CN1CC[C@H](Oc2ccncc2)C1 2325779271 UDIAYAIYYCGCSJ-IBGZPJMESA-N 342.443 2.591 0 50 EFAA Cc1c(Cl)ccc2[nH]c(C(=O)N3CCCN(C[C@H](C)O)CC3)cc12 2325792788 LXQVLIMHGIZRQM-LBPRGKRZSA-N 349.862 2.658 0 50 EFAA CN1C(=O)COc2cccc(NCc3ncoc3C(F)(F)F)c21 2325801628 PYJIRMHNCYIUFV-UHFFFAOYSA-N 327.262 2.661 0 50 EFAA O=Cc1ncc(Br)cc1OCc1cccc2nccn12 2325895246 KLSBGARKUAPEEI-UHFFFAOYSA-N 332.157 2.883 0 50 EFAA Cc1cccc(C)c1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 443980 WWTIZPBOJLGLCO-UHFFFAOYSA-N 338.473 2.518 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccn2)c(Cl)c1Cl 479667 AMOCNPFWEAZFQS-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA O=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1 1053402 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CCOc1cccc(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 112125043 MYZCYBWGLYULAY-QGZVFWFLSA-N 344.415 2.523 0 50 EFAA CC[C@@H](C)N(Cc1cccnc1)C(=O)CCc1c(C)nc(=O)[nH]c1C 55383655 VZJDTTRXQNYDAF-CYBMUJFWSA-N 342.443 2.542 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)N1CCCC[C@@H]1C 246709295 KEAKVPZMQPVMBJ-YYJDGNJWSA-N 340.467 2.796 0 50 EFAA CC(=O)N1CCC(N2CCC[C@@H](N(C)Cc3ccccc3)C2)CC1 20915856 KLQREMJKXZBERW-HXUWFJFHSA-N 329.488 2.594 0 50 EFAA COC(=O)[C@H]1CCCCN1Cc1cc2ccc(SC)cc2[nH]c1=O 67921385 KOMBVJOEJCTAAR-MRXNPFEDSA-N 346.452 2.778 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)N(C)Cc2nc(C)c[nH]2)c1 55344307 CEOUYOWHVGQNCV-UHFFFAOYSA-N 328.416 2.658 0 50 EFAA CCC(=O)Nc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 67982689 SKKQBJZCHHLZCF-IAGOWNOFSA-N 346.427 2.584 0 50 EFAA Cc1nc[nH]c1C(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 67677332 YUPNYBFXNURYJQ-UHFFFAOYSA-N 347.846 2.829 0 50 EFAA CCc1ccccc1OCCN1CCC(Oc2ncccn2)CC1 65394660 CGIHKWSBSMEISP-UHFFFAOYSA-N 327.428 2.961 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 248171295 WDBJCZVSBCMXLB-DVOMOZLQSA-N 339.439 2.897 0 50 EFAA c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1 20018545 CDRPFPWZCUMKDJ-UHFFFAOYSA-N 332.469 2.749 0 50 EFAA Cc1c([C@@H](C)NCc2cnc(N)nc2)cnn1-c1ccc(F)cc1F 12297978 GXFGKSJYSBUYDU-SNVBAGLBSA-N 344.369 2.682 0 50 EFAA CCOc1ccc(CC(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1 911699109 DZIOISQBWXYXBZ-OAHLLOKOSA-N 343.398 2.965 0 50 EFAA O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC[C@@H](c2cnccn2)C1 1364114406 DTMNQANYXBQPHF-OAUONFCTSA-N 349.843 2.920 0 50 EFAA Cc1c(O)cccc1C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 67820695 QWPQDMMIHDGZLF-INIZCTEOSA-N 339.439 2.738 0 50 EFAA CCOc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)o1 219412502 ISTCTBMLOJHCFZ-CVEARBPZSA-N 345.395 2.782 0 50 EFAA CN(CC(=O)Nc1ccccc1Cl)[C@@H]1Cc2ccccc2[C@H]1O 252512060 LYTVXXXOVXQSNM-SJLPKXTDSA-N 330.815 2.869 0 50 EFAA C[C@H](O)CNc1cc(NCC(c2ccccc2)c2ccccc2)ncn1 354244425 PHVHEQZJBBLMEM-INIZCTEOSA-N 348.450 3.513 0 50 EFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ncccc1O 218850928 RSAQQGUDPHKKIK-RWKZGTHUSA-N 349.390 2.577 0 50 EFAA O=S(=O)(NC1CC1)c1ccc(OCc2cnc(Cl)s2)cc1 4038331 NCMZNNZLWGMXKV-UHFFFAOYSA-N 344.845 2.816 0 50 EFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2F)CC(=O)N1 4916629 JBARJFZQUSSZRR-CQSZACIVSA-N 335.375 2.671 0 50 EFAA CN(CC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)C(=O)c1cccs1 230171681 AETMZUKDVLCEND-ZTFGCOKTSA-N 340.448 2.665 0 50 EFAA C[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)c1cc(F)ccc1N1CCOCC1 230202746 YHJAZKQRACOOGB-NWANDNLSSA-N 332.419 2.886 0 50 EFAA CCc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6700962 CAZIUWTWEWYDEP-UHFFFAOYSA-N 330.453 2.760 0 50 EFAA Cc1ccccc1-c1noc(CN2CCC[C@@H](N3CCCC3=O)C2)n1 71746901 VTVYUVIHVPMICJ-OAHLLOKOSA-N 340.427 2.632 0 50 EFAA C[C@H](Oc1ccccc1CN(C)Cc1cc(C2CC2)n[nH]1)C(=O)O 215081374 QJXQRWXUIRLKKN-LBPRGKRZSA-N 329.400 2.771 0 50 EFAA COCCN1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1=O 328588673 VASPQVFMYQYHPK-UHFFFAOYSA-N 345.443 2.667 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@H]3CCCCCN3C)CC2)cc1 77288144 IPEIYMVBIBMERG-LJQANCHMSA-N 346.471 2.939 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NCc1cccc(-n2cncn2)c1 363235459 VWBHCPWKGRTAQF-MRXNPFEDSA-N 348.406 2.840 0 50 EFAA CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)oc3C)c2)C1=O 358042181 RIVZXSFWSXINAK-OAHLLOKOSA-N 341.367 2.984 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)c3c(C)noc3C)C2)c1 151492348 LIZYUYYWTUYRCA-XJKSGUPXSA-N 345.447 2.947 0 50 EFAA CC(C)C[C@H]1CCCN(C(=O)C2CCN(Cc3nccn3C)CC2)C1 152088765 JCRQFPZAMBOZNV-QGZVFWFLSA-N 346.519 2.917 0 50 EFAA Cn1ncc2c(NC[C@H](O)c3cccnc3)nc(C3CCCC3)nc21 72143155 FDHDBPVHWQGJPT-HNNXBMFYSA-N 338.415 2.561 0 50 EFAA O=C(O)[C@@]1(Cc2ccc(F)cc2F)CCCN(c2cnccn2)C1 71762007 ZXSYQAYTWXESNK-QGZVFWFLSA-N 333.338 2.669 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1COC2(CCCC2)C1 77338472 MIUIYHXUNDVSDZ-HNNXBMFYSA-N 341.411 2.887 0 50 EFAA COC[C@@H]1CCCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 372040820 FWRJKVQMAOOQQI-GFCCVEGCSA-N 334.391 2.599 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCCC[C@@H]3[C@H](C)N)c2C)no1 237556540 CTIQYQZPCNPTNC-XJKSGUPXSA-N 330.432 2.732 0 50 EFAA Cc1ocnc1C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 373860728 VDUSPSXMAHFWCK-CQSZACIVSA-N 325.368 2.548 0 50 EFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1C(=O)O 237687542 PDPGCUDHJFRAKK-LBPRGKRZSA-N 334.372 2.947 0 50 EFAA COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(N)=O)c1C 72115661 LZDSXPGLGKMBNO-GFCCVEGCSA-N 328.368 2.509 0 50 EFAA Cc1noc([C@@H](NC(=O)N(C)Cc2ccccc2N(C)C)C(C)C)n1 1365282447 PLHBNMSYGZYWAA-INIZCTEOSA-N 345.447 2.983 0 50 EFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(c3nccc(N)n3)C2)cc1C 71759649 XOKSIXJIKVQPLY-CQSZACIVSA-N 340.427 2.784 0 50 EFAA O=C(O)CN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 71752404 JUJARXKLNXHYOB-SFHVURJKSA-N 325.408 2.994 0 50 EFAA CC(C)(C(=O)N[C@@H]1CCC(=O)NC1(C)C)c1ccc(Cl)cc1F 338523426 ONUZBSLITFYJKY-CYBMUJFWSA-N 340.826 2.930 0 50 EFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCOc1ccccc1 222543727 DQCMXPQSKXGXJY-QZTJIDSGSA-N 333.428 2.712 0 50 EFAA CC[C@H](O)CN1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 174087173 TVIUAMLXENMGPB-KRWDZBQOSA-N 349.862 2.884 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCC([C@@H](O)Cc2ccccc2)CC1 82114554 ODXKSXGWJCWVMT-INIZCTEOSA-N 349.381 2.734 0 50 EFAA CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C(F)(F)C(F)F 176906972 XQMJSZDNSKBPJY-UHFFFAOYSA-N 334.313 2.991 0 50 EFAA C[C@H](CN(C)C)NC(=O)N(C)CCCOc1ccccc1Cl 426434165 VRYKNSOQSMKAQF-CYBMUJFWSA-N 327.856 2.700 0 50 EFAA CS[C@H](CO)[C@@H](C)NCc1ccccc1N1C[C@H](C)O[C@H](C)C1 229873089 VODUATZARVRLSW-BASYENTBSA-N 338.517 2.502 0 50 EFAA O=C(NCCCn1nccc1C1CC1)[C@H]1CCOc2ccccc2C1 95510511 SONQLIXQPQARAL-KRWDZBQOSA-N 339.439 2.908 0 50 EFAA Cc1ccc2c(CC(=O)N(CC(=O)O)C3CCOCC3)coc2c1C 237868773 GDAMPYZYOUTWNN-UHFFFAOYSA-N 345.395 2.684 0 50 EFAA CCC[C@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 236940442 OUYIWUJSPRVJGK-FMKPAKJESA-N 331.460 2.871 0 50 EFAA C[C@@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)N1CCOCC1 96152038 IBCAXYXZTYEZHG-HNNXBMFYSA-N 340.423 2.611 0 50 EFAA CC(C)N1CCC[C@@]2(CCN(C(=O)c3cccn3C3CC3)C2)C1=O 91943359 LGBZDKJCFFFHGG-IBGZPJMESA-N 329.444 2.686 0 50 EFAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Br)cc1 239173825 OTLAUPLOUOONEL-RECBEJSDSA-N 336.185 2.585 0 50 EFAA Cc1cccc(N2CCC(NC(=O)Nc3cc(C)nn3C)CC2)c1 96133470 MYRLMZMGASGFIC-UHFFFAOYSA-N 327.432 2.827 0 50 EFAA Cc1ccc([C@@H](C)CNC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1 267592276 JRPYSXVEVRFKJG-MAUKXSAKSA-N 342.443 2.615 0 50 EFAA COCCN(Cc1ccncc1)C(=O)C1CCN(C2CCCC2)CC1 97480219 ZQLPRPJFGNEGIU-UHFFFAOYSA-N 345.487 2.711 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N(Cc1nccs1)C1CC1 252506914 WDCOFKUMPRRDIQ-NSHDSACASA-N 346.408 2.830 0 50 EFAA C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1 183904150 XSURSTDKAPMQPX-XJKSGUPXSA-N 347.390 2.924 0 50 EFAA COCC(=O)N1CCc2c(NC(=O)c3cc(C)ccc3F)cccc21 182074013 HHUBNDDQCOOMQV-UHFFFAOYSA-N 342.370 2.922 0 50 EFAA O=C(COCC(F)(F)F)NCc1cccc(OCC(F)(F)F)c1 298511497 UKBFPAOFEXFZDC-UHFFFAOYSA-N 345.239 2.823 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 299741825 GKMFPTAWIDBNQG-ZDUSSCGKSA-N 345.374 2.728 0 50 EFAA CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 284007012 PRMMOWCDECJOTQ-UONOGXRCSA-N 327.446 2.831 0 50 EFAA CC(C)Cn1nccc1NC(=O)N(C)Cc1noc(C2CCC2)n1 299765281 DPJPFBUUDZXZAX-UHFFFAOYSA-N 332.408 2.854 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cccc(-c2cnco2)c1 299790081 BGMFAQGKOUXBSC-RDJZCZTQSA-N 344.415 2.571 0 50 EFAA Cc1cccnc1[C@H](NC(=O)c1ccc(OCCCN)cc1)C1CC1 299793044 IXWMDLBQMJPGSC-LJQANCHMSA-N 339.439 2.999 0 50 EFAA O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCC[C@H](CO)C1 299802574 ZHYPDIUIOXLZLU-ZDUSSCGKSA-N 348.834 2.821 0 50 EFAA C[C@@H](NC(=O)CN(C)C1CCCC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989687 VHTALNKAQUPRDK-RIWOBZSASA-N 334.504 2.697 0 50 EFAA CCCN(Cc1cc2n(n1)CCC2)Cc1nc(O)c2sccc2n1 1326707087 KDWVZQYCSAISHI-UHFFFAOYSA-N 343.456 2.952 0 50 EFAA Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)OC34CCCC4)cc2)n[nH]1 952861049 XHXZVHVQPQSBSC-CQSZACIVSA-N 340.383 2.595 0 50 EFAA O=C(c1cccnc1Cl)N1CCN(c2cc(Cl)ccn2)CC1 1471961640 FCIIIUUSUFSABI-UHFFFAOYSA-N 337.210 2.746 0 50 EFAA O=C1[C@@H](NCc2cc(O)cc(F)c2)CCCN1Cc1ccccc1 185612195 SUILNLUDCIUHRJ-SFHVURJKSA-N 328.387 2.812 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)s1 275774133 XYGSMWBZHWJMOU-CYBMUJFWSA-N 331.441 2.811 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)CC1 275901573 IMVBPTIDKVTBHB-OALUTQOASA-N 345.487 2.854 0 50 EFAA C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)nn2)c2c(O)cccc21 186328997 OGFOOMXTQLCJMM-ZDUSSCGKSA-N 338.411 2.936 0 50 EFAA COc1ccc(-c2noc(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)n2)cc1OC 169994534 PWTZIQMXVDLSSP-GLQYFDAESA-N 345.399 2.979 0 50 EFAA Cc1ncsc1CN(C)C(=O)c1cccc(OCC(F)F)n1 170591051 YOCOOTNTLKPITR-UHFFFAOYSA-N 327.356 2.763 0 50 EFAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@@H](O)C1 170606474 YCRIAUDPRLDZKH-GOEBONIOSA-N 328.416 2.789 0 50 EFAA O=S(=O)(CC[C@H]1CCc2ccccc21)N1CC[C@@H](n2cccn2)C1 641506262 YLXMJCDKIPXWRS-IAGOWNOFSA-N 345.468 2.580 0 50 EFAA CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cnccc1Oc1ccccc1 670001493 NNIXOIQEHDKWSK-INIZCTEOSA-N 339.395 2.661 0 50 EFAA COc1ccc(COCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 679178437 AIQOLPNKEUNEQH-UHFFFAOYSA-N 343.427 2.650 0 50 EFAA Cc1cccc([C@@H](NC(=O)[C@H](C)c2c(C)noc2C)C(=O)O)c1C 653667363 LCTWSWRROMCOFX-BDJLRTHQSA-N 330.384 2.954 0 50 EFAA C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)Cc1ccc(C(=O)O)cc1 656718767 CESMQLMGZMQQOO-YVEFUNNKSA-N 345.420 2.533 0 50 EFAA CCCc1noc(CN(C)C(=O)c2cccc(-c3cn[nH]c3)c2)n1 1506415469 CICLXGQAHJOGDE-UHFFFAOYSA-N 325.372 2.684 0 50 EFAA Cc1ccc(-c2noc(CCCC(=O)Nc3nccn3C)n2)cc1 1529102122 XEKQPADGVZXXOO-UHFFFAOYSA-N 325.372 2.740 0 50 EFAA CC(C)[C@@H](NC(=O)CCc1cc(Br)cs1)C(=O)O 236597233 NODLFVYVVJDTMV-LLVKDONJSA-N 334.235 2.669 0 50 EFAA C[C@@H](CNC(=O)c1cn(C2CCCCCC2)nn1)Oc1cccnc1 11938185 CTLDBUCWZMTXSE-AWEZNQCLSA-N 343.431 2.766 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 12001922 SGIIEFIBLXLGLY-AWEZNQCLSA-N 344.436 2.853 0 50 EFAA c1ccc(N2CCCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 12318534 FKGPOEOFRYAXPR-UHFFFAOYSA-N 335.411 2.844 0 50 EFAA O=C(NC(=S)Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 12404424 TXOUKFKSKANIGF-UHFFFAOYSA-N 345.468 2.926 0 50 EFAA COc1ccccc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 12479468 APJSNYQXGKVAHC-FQEVSTJZSA-N 342.439 2.560 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cn(C2CCCCC2)nn1 14959090 XYOFMZMBYQKSCA-HNNXBMFYSA-N 348.447 2.731 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 15836460 BRZVNHVBXRCCJO-CYBMUJFWSA-N 337.397 2.823 0 50 EFAA CCc1cc(-c2cccc(-c3ccn(CCO)n3)c2)nc(N(C)C)n1 19607653 PYTUTNKYYIAIBW-UHFFFAOYSA-N 337.427 2.628 0 50 EFAA Cc1ncc2c(c1-c1noc([C@H]3Cc4ccccc4O3)n1)CCNC2 19788498 UBGXPPBHSRNQIB-MRXNPFEDSA-N 334.379 2.762 0 50 EFAA COc1ncccc1CN1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857686645 ARZISGPWKFBFIY-OALUTQOASA-N 341.455 2.594 0 50 EFAA CCNCC1CCN(C(=O)c2cccc3nc(C(F)F)[nH]c23)CC1 911863908 KIMJJYLQJXMPFY-UHFFFAOYSA-N 336.386 2.962 0 50 EFAA COCCC(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 416265510 XMPXPNSFDLEJNH-UHFFFAOYSA-N 328.294 2.774 0 50 EFAA NCC1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 237813256 DLYKFHFPJFRAFD-UHFFFAOYSA-N 328.391 2.775 0 50 EFAA COc1ncc(Cl)c(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 253395609 YBNLJSFSIYCNMA-ZANVPECISA-N 341.745 2.729 0 50 EFAA C[C@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1nnc2n1CCCC2 368106735 AZRVRASXMZQUIU-JTQLQIEISA-N 348.838 2.538 0 50 EFAA O=C(O)C12CCC(C(=O)N3CCC(c4ccncn4)CC3)(CC1)CC2 911316167 KAVGGDWHNYRPBR-UHFFFAOYSA-N 343.427 2.608 0 50 EFAA COc1cccc2c1CCC[C@H](NC(=O)N=c1cc[nH]cc1F)C2 1123315483 CEZXAOSWTLDEFY-ZDUSSCGKSA-N 329.375 2.720 0 50 EFAA C[C@H](N)CCNC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 841116841 ZFRCUPRYJJTLAT-JTQLQIEISA-N 335.795 2.781 0 50 EFAA O=C1CCc2ccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)cc21 1875267035 CPGFSHLBAIMVEZ-UHFFFAOYSA-N 328.393 2.500 0 50 EFAA Cc1cccc(F)c1C(=O)N1CC[C@H](N(C)Cc2ncoc2C)C1 1875278971 VFCHUAFHNGJQON-AWEZNQCLSA-N 331.391 2.777 0 50 EFAA CCc1nc([C@@H](C)NCC[C@H](C(F)F)N2CCOCC2)cs1 1875275650 OTUWFWQILMVKCD-DGCLKSJQSA-N 333.448 2.712 0 50 EFAA CC(C)OCc1nnc([C@H](C)NC(=O)c2c(O)cccc2F)s1 1875316065 SOZMWYIICYYDNR-VIFPVBQESA-N 339.392 2.799 0 50 EFAA CC(C)n1ccc2ccc(C(=O)N3CCc4c[nH]c(=N)nc4C3)cc21 1875316771 GAGNBMBFCVGSLE-UHFFFAOYSA-N 335.411 2.623 0 50 EFAA Nc1nnc([C@H]2CCCN(C[C@@H](O)c3ccc4ccccc4c3)C2)o1 878947529 YCTXSEARLPLJGF-DLBZAZTESA-N 338.411 2.718 0 50 EFAA CCn1cnc2c1CCN(C(=O)c1noc3c1CC(C)(C)CC3)C2 886605850 ADGSJILJKKRKJR-UHFFFAOYSA-N 328.416 2.604 0 50 EFAA Cn1ccnc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC1CC1 1775994907 PVHNUZXVUANVCR-CVEARBPZSA-N 348.491 2.935 0 50 EFAA Cn1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)n1 2325760474 NOSWBOBTCSUGTE-UHFFFAOYSA-N 341.440 2.686 0 50 EFAA NCCCN(CC1CCCC1)C(=O)C[C@@H]1CC[C@H]2CNCC[C@H]2C1 2325778824 RFAFFMQAFPCGNF-QYZOEREBSA-N 335.536 2.770 0 50 EFAA Cc1nc(N2CCN(c3ccc(O)nc3)CC2)c2scc(C)c2n1 2325802621 QIBCOILISCWCBO-UHFFFAOYSA-N 341.440 2.735 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)NC[C@H]1C[C@](O)(C(F)(F)F)C1)CO2 2325804157 XMDRVTTYZOYATF-DETPVDSQSA-N 343.345 2.599 0 50 EFAA Cc1nc2c(NC(=O)c3cn(C)nc3-c3ccnn3C)cccc2o1 2325872476 ZPQFIWJJYGYQIL-UHFFFAOYSA-N 336.355 2.523 0 50 EFAA Cc1ccnc(CNC(=O)C2(C)CCN(Cc3ccccc3)CC2)n1 911005626 AONJJONNZUWYJC-UHFFFAOYSA-N 338.455 2.704 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1OC 249305 SYEKELJZBTXBQS-UHFFFAOYSA-N 328.777 2.553 0 50 EFAA COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1O 293660 PLFGRBPWZRSCHW-UHFFFAOYSA-N 329.396 2.976 0 50 EFAA biogenic COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1 314168 JOVZZRRXHWNQEN-INIZCTEOSA-N 338.407 2.673 0 50 EFAA COc1ccccc1N1CCN(C(=O)COc2cccc(C)c2)CC1 449615 QYYJXPUDHRDJNS-UHFFFAOYSA-N 340.423 2.731 0 50 EFAA COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)cc1F 2356149510 FGGPKRIOGYFLQO-DOTOQJQBSA-N 329.371 2.825 0 50 EFAA c1ccc(-c2[nH]nnc2CN2CCC[C@]3(CCc4c[nH]nc43)C2)cc1 2356159067 KHPDVONVESVOFB-IBGZPJMESA-N 334.427 2.675 0 50 EFAA Nc1cncc(-c2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 2356159538 GBQXUVQPJJYOKQ-UHFFFAOYSA-N 330.391 2.623 0 50 EFAA COC(=O)c1ccc(OC[C@H](O)CN(CC(C)C)CC(C)C)cc1 2946862 HFOMKNHRTGZESV-QGZVFWFLSA-N 337.460 2.827 0 50 EFAA C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@H]2CCCCN2C)c1 4757938 MJTQAIYOGJBJJG-KBXCAEBGSA-N 343.471 2.950 0 50 EFAA COc1cc(NC(=O)CSc2nc3ncccc3o2)cc(OC)c1 6915441 RHFZVGTYIIYQLC-UHFFFAOYSA-N 345.380 2.971 0 50 EFAA COC(=O)CCN(C(=O)c1coc(C)c1)c1nc2ccccc2o1 225460904 AICNURLGZNKSCE-UHFFFAOYSA-N 328.324 2.939 0 50 EFAA CCOc1cccc(CN(CCO)Cc2c(C)nn(C)c2Cl)c1 55340990 CVYRTDOEESFPEW-UHFFFAOYSA-N 337.851 2.775 0 50 EFAA Cc1nn(-c2ccccn2)c(C)c1/C=C/c1nc2cnccc2c(=O)[nH]1 225792045 DJZKHFQCTURJEO-VOTSOKGWSA-N 344.378 2.686 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)C2 245224760 DDTCFJYEBXWJSJ-XASIKMQRSA-N 344.455 2.959 0 50 EFAA CCOC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 100302226 QZLARWKZRWUMRE-CHPZLBCBSA-N 345.782 2.828 0 50 EFAA Cc1csc(=O)n1CCC(=O)NC1(c2nccs2)CCCC1 116101885 LNQAINLEUSQKPF-UHFFFAOYSA-N 337.470 2.651 0 50 EFAA CC(C)=Cc1c(-c2ccccc2)ncn1CCN(C)S(C)(=O)=O 65526064 VMKYNQIXGZJKOQ-UHFFFAOYSA-N 333.457 2.865 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)o1 237968226 GKNXPLDFWXZEQR-AWEZNQCLSA-N 329.352 2.799 0 50 EFAA O=C(CN1CCC[C@H]1Cn1cccn1)N[C@H](c1ccccc1)C1CC1 247804798 YIQIBNJGVPVUHZ-AZUAARDMSA-N 338.455 2.615 0 50 EFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2sc(N)nc2CC)C1 67847380 GAORYAQKBRHAMS-LLVKDONJSA-N 333.461 2.593 0 50 EFAA O=C(CCn1ccnc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67934269 MAUHYKDPFGFJDP-VQTJNVASSA-N 349.434 2.803 0 50 EFAA Cc1cc(-c2nc([C@@]3(C)CCCO3)no2)ccc1N1CCOCC1 351390733 XDADHKWJJUNWTH-GOSISDBHSA-N 329.400 2.907 0 50 EFAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)N=c1cc2n([nH]1)CCCC2 351739948 MABZWLDRXMPJME-UHFFFAOYSA-N 341.346 2.501 0 50 EFAA O=C1C[C@@H](c2cccc(Cl)c2)c2c(n3ccsc3nc2=O)N1 1432374 YOWBNRUMUZXUFA-JTQLQIEISA-N 331.784 2.884 0 50 EFAA COc1ccc(CNCc2ccc3c(c2)OCO3)c(OC)c1OC 2901651 HPRLKTKQTHQOAU-UHFFFAOYSA-N 331.368 2.731 0 50 EFAA biogenic Cc1cc(CN[C@@H]2CCCN(c3nccnc3O)C2)ccc1Cl 328640792 QENHHRUYKGLYGC-CQSZACIVSA-N 332.835 2.903 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@H]1Cc2ccccc2[C@@H]1O 328649855 VGMOPAGKYOBLST-VMXMFDLUSA-N 337.467 2.665 0 50 EFAA CN(Cc1cc2n(n1)CCNC2)CC1(N2CCCCC2)CCCCC1 72143356 LZYMHNCCLVTBTD-UHFFFAOYSA-N 345.535 2.607 0 50 EFAA Cc1cnn([C@H](C)[C@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 252474918 OQRIYWBDRSOXCP-YNEHKIRRSA-N 335.839 2.806 0 50 EFAA CCc1oc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)cc1C 328614147 VNACNPQPGFODFD-GFCCVEGCSA-N 333.388 2.871 0 50 EFAA C[S@](=O)C1(CNC(=O)N2CCCC[C@@H]2c2nccs2)CCC1 280787729 OKPZMSJSMROFTA-IPQOISQHSA-N 341.502 2.681 0 50 EFAA CN(CC(F)(F)F)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 124559010 UKBPLQSCSVWGIT-ZDUSSCGKSA-N 328.334 2.702 0 50 EFAA C[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1nc2ccccc2[nH]1 215818989 SWKHGZCVSTYNEO-GFCCVEGCSA-N 335.367 2.892 0 50 EFAA CN(C)C[C@]1(O)CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 72165847 RSLHXHSTTCUXQG-INIZCTEOSA-N 346.393 2.864 0 50 EFAA O=C1C[C@H](Nc2ncnc3c2CCC3)CN1CCCc1ccccc1 72133632 HZPAOQNEUWTJNA-INIZCTEOSA-N 336.439 2.611 0 50 EFAA COc1ccncc1NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O 361461385 KDOGQURHNRWRJR-KRWDZBQOSA-N 339.395 2.565 0 50 EFAA CN(C)Cc1cccc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c1 368263971 OQOKWVGEASIIBA-NRFANRHFSA-N 338.451 2.524 0 50 EFAA CCOCCn1nc(C)cc1C(=O)N1CCC[C@H]1c1ccccn1 77488381 SORJLTMQYNLDQV-INIZCTEOSA-N 328.416 2.600 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N1C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C1)C2 71745569 SXQBNSKBYMVTDO-QMPXSYISSA-N 327.424 2.751 0 50 EFAA CN1C[C@@]2(CCCN(Cc3cc(-c4ccccn4)no3)CC2)OC1=O 72163406 TYQBYGNLXQTDGA-SFHVURJKSA-N 342.399 2.543 0 50 EFAA COc1cccc(COC[C@H](O)CN2CCC=C(c3ccco3)C2)c1 375653193 OIEWWBBYAUCPKJ-GOSISDBHSA-N 343.423 2.955 0 50 EFAA C[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cc1 237538106 WHOFHJMDKHAVMK-ZWNOBZJWSA-N 345.317 2.511 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCCCC3)ccc21 77505635 OVZINQCFYMIBQZ-UHFFFAOYSA-N 345.443 2.771 0 50 EFAA COC(=O)c1cccc(CN2CCCC[C@H]2CCN2CCOCC2)c1 72134659 RHEDOLXEHDODDH-IBGZPJMESA-N 346.471 2.550 0 50 EFAA COc1cccc(N2CCN(C(=O)[C@]3(C)CC(C)=NO3)CC2(C)C)c1 220451761 GJAHTALPKQUHTK-IBGZPJMESA-N 345.443 2.677 0 50 EFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccs2)n1 82230361 VZMCRMZFSHLYLM-UHFFFAOYSA-N 345.472 2.679 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2ncon2)CC1 426404170 GEZVABJLBAUZII-UHFFFAOYSA-N 349.394 2.855 0 50 EFAA CCS(=O)(=O)C1CCN(Cc2cc(-c3ccccc3)on2)CC1 286140935 NCYHBCREBWRHRR-UHFFFAOYSA-N 334.441 2.741 0 50 EFAA Cn1ccnc1CNc1nccc(-c2cnn(-c3ccccc3F)c2)n1 48376274 FWOPRQVCVTXWQX-UHFFFAOYSA-N 349.373 2.814 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)C3(Oc4ccccc4F)CC3)cc12 225663658 WOFBFAKKIXRBLQ-UHFFFAOYSA-N 326.331 2.956 0 50 EFAA CC(C)Oc1cccc(CNC(=O)c2cc(F)ccc2OCCN)c1 426544374 LEAUEAOTFDRTPY-UHFFFAOYSA-N 346.402 2.880 0 50 EFAA COCC[C@]1(CO)CCCN(Cc2c(Cl)cncc2Cl)C1 91596150 TYNQFJHPKUKASY-OAHLLOKOSA-N 333.259 2.999 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]2N)c1 91656711 GPZWTTBEWQGFNR-CVEARBPZSA-N 346.377 2.849 0 50 EFAA O=C(NC[C@H](O)c1cccc(O)c1)C1CCN(C2CCCCC2)CC1 95363263 UPLSVQWXSHVUAY-IBGZPJMESA-N 346.471 2.587 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 239439215 ZOZLGGUSQQPSPN-IACUBPJLSA-N 335.400 2.772 0 50 EFAA CN1C[C@@H](c2nc(CC3CC3)nn2-c2ccc(F)c(Cl)c2)NC1=O 96131439 MCTRLKSIWNQDID-ZDUSSCGKSA-N 349.797 2.708 0 50 EFAA O=C(NCCn1ccc2ccccc21)[C@H]1CC(=O)N(C2CCCC2)C1 97610070 FTUQHWRZJXNLHN-INIZCTEOSA-N 339.439 2.549 0 50 EFAA CSCc1noc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)n1 91943995 OSKUUOAGDUZKJQ-UHFFFAOYSA-N 330.413 2.961 0 50 EFAA O=C(CN1CCC(c2ccccc2)CC1)NCCc1nccs1 95384588 GMUMMXCYLMRFJD-UHFFFAOYSA-N 329.469 2.681 0 50 EFAA CSCc1nc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cs1 97742666 WBCTUXDKJQDGBC-UHFFFAOYSA-N 337.470 2.748 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734364 NEEJOLKNTMJSHZ-DAYGRLMNSA-N 344.386 2.780 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 297993394 XYLFCMFYNXCGRY-QGZVFWFLSA-N 340.423 2.976 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)n2)C1 298212998 UWFHKYHORNHSNL-LBPRGKRZSA-N 344.381 2.584 0 50 EFAA CN1CCN([C@@H]2CCN(C(=O)Nc3ccc4ccccc4c3)C2)CC1 299768149 GNGCFLFVIMEOJE-LJQANCHMSA-N 338.455 2.693 0 50 EFAA CSCc1noc(CNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)n1 299778339 GKYDQYZCFHAWIK-VIFPVBQESA-N 334.401 2.578 0 50 EFAA COc1cc(C(=O)N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccn1 824851813 JHIKKLYNYRFFMW-LUIVIUGWSA-N 330.428 2.540 0 50 EFAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 828163250 JYJSZXINFRHESD-VIFPVBQESA-N 327.310 2.764 0 50 EFAA CCC(=O)N1CCC[C@@H]2CN(C(=O)c3cc(C(C)C)on3)CC[C@@H]21 973698011 VEVQXVYJWWBPJG-HIFRSBDPSA-N 333.432 2.661 0 50 EFAA C[C@@H]1CC[C@H](O)CN1C(=O)NCc1cccc(OC(F)(F)F)c1 1428388130 COSPPMDZPDDIOJ-PWSUYJOCSA-N 332.322 2.640 0 50 EFAA O=C1C[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C2(CCCC2)O1 952868407 NFXFNGMUJPJTNN-OAHLLOKOSA-N 325.368 2.687 0 50 EFAA CCCn1c(C)nc2cc(NC(=O)CCCn3cncn3)ccc21 952989752 UYOBKCOERJXEFD-UHFFFAOYSA-N 326.404 2.765 0 50 EFAA C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1F 165688861 RRBIHASHBVFQJM-FGDXXIHYSA-N 332.350 2.983 0 50 EFAA CCCOc1cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)ccc1OC 271190651 LNFGPRHVNIKKBR-VVYDWRJNSA-N 325.474 2.825 0 50 EFAA COc1cccc(Cl)c1CN[C@H](C)C1CCS(=O)(=O)CC1 276753621 IBAJMEGQFMPFLB-LLVKDONJSA-N 331.865 2.652 0 50 EFAA Cc1cc(Br)cc(C(=O)NCC2(O)CCSCC2)c1 170597124 HFCSHBOYAWLSKM-UHFFFAOYSA-N 344.274 2.745 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 663030792 XTYKMSHRNYVRBE-XLIONFOSSA-N 339.391 2.650 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 663101915 RMVKOJBKEVHSIL-IBGZPJMESA-N 327.380 2.768 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccn1 192424996 YYBWZKPVJJPNMO-JTQLQIEISA-N 340.309 2.598 0 50 EFAA Nc1nccc([C@H]2CCCN(C(=O)Nc3cc(F)cc(F)c3)C2)n1 192600888 QWVPTKDNFKTNLC-JTQLQIEISA-N 333.342 2.749 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N(Cc1cccs1)C[C@@H]1CCCO1 192927458 VNAAXBPFEAMJAE-ZDUSSCGKSA-N 342.424 2.841 0 50 EFAA Cc1ccc([C@H](C)N(C)c2nc(C)c(S(N)(=O)=O)s2)c(C)c1 669966152 IHNVMAXJRCLDGW-LBPRGKRZSA-N 339.486 2.913 0 50 EFAA COc1cc(N2CCN(Cc3ccccc3C(=O)O)CC2)ccc1F 652447164 SZKVSRMBLPXQPN-UHFFFAOYSA-N 344.386 2.855 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CC[C@@H](C2CC2)N1 653075578 SHEIBLUNOBLYNS-ZWKOTPCHSA-N 341.455 2.782 0 50 EFAA CCc1c(C)nn(C)c1NC(=O)Cc1cc2c(cc1Cl)OCCO2 1506405155 LNGJRTZPOVGCEQ-UHFFFAOYSA-N 349.818 2.897 0 50 EFAA Cc1cccc(C)c1OC1CN(CCS(=O)(=O)c2ccccc2)C1 1506421924 KZHNKFQPUMKBJF-UHFFFAOYSA-N 345.464 2.840 0 50 EFAA COc1cc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc(OC)c1O 1704301329 VFZGAXJFNYAYLK-VQIMIIECSA-N 349.427 2.831 0 50 EFAA CCCCc1ncc(CN2CCC(c3ccn(C)c(=O)c3)CC2)[nH]1 1772809757 DIMYRMOKZUOSQI-UHFFFAOYSA-N 328.460 2.831 0 50 EFAA COCCNC(=O)CCC1CCN(Cc2ccc(F)cc2F)CC1 12206658 SOJRNANAVUBABS-UHFFFAOYSA-N 340.414 2.720 0 50 EFAA CSc1ccccc1C(=O)N1CCC[C@@H](N2CCC(CO)CC2)C1 12429599 GAAOBTHPKAIMIR-MRXNPFEDSA-N 348.512 2.717 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccccn1 13127095 AETZFSMSDBSZLT-KRWDZBQOSA-N 347.378 2.662 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)c1 16606582 AASDXSKQASAFQD-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N2CC[C@H]3CC[C@H](O)[C@H]32)c(C)n1 1857532107 ZALHCMDNURZCNR-QQFPMYEESA-N 331.460 2.521 0 50 EFAA c1ccc(-c2n[nH]c3c2CCN(Cc2noc(C4CC4)n2)CC3)cc1 1857696067 KZIJIFIPWTXENM-UHFFFAOYSA-N 335.411 2.938 0 50 EFAA Nc1ncnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Cl 225485054 MZDXINJCRDLCEH-MRVPVSSYSA-N 346.744 2.769 0 50 EFAA COc1ccccc1CC(C)(C)NC(=O)[C@H]1CCCc2nn(C)cc21 225581822 ICOJQTRIVBFXBY-HNNXBMFYSA-N 341.455 2.986 0 50 EFAA Fc1cccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1 241213413 KOPZVUIKVGJODN-UHFFFAOYSA-N 326.379 2.610 0 50 EFAA O=C(O)Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c1 676211080 XZGDKTRNDPFGIC-OXJNMPFZSA-N 337.375 2.993 0 50 EFAA Cc1cccc(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1F 253431996 VIARLPPGSHUUCR-UHFFFAOYSA-N 349.383 2.577 0 50 EFAA Cc1nc(-c2ccccc2)sc1-c1nc(CS(C)(=O)=O)no1 253420413 WVWVVTWGEMHCDL-UHFFFAOYSA-N 335.410 2.713 0 50 EFAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cc(Cl)ccc1Cl 263079812 ZAHWGJKJVLAZNB-GFCCVEGCSA-N 346.210 2.851 0 50 EFAA C[C@H](NC(=O)c1ccc(NCc2cccc3c2CCC3)cc1)C(=O)O 901712810 HQVAXYVMPBKJPS-ZDUSSCGKSA-N 338.407 2.990 0 50 EFAA O=C(Cc1ccc2ncccc2c1)NC[C@H]1COc2ccccc2O1 1859450192 CALOIORLZPQHQM-INIZCTEOSA-N 334.375 2.734 0 50 EFAA O=C(O)[C@@H]1[C@H]2CC[C@@]1([C@@H]1CCCN(C(=O)c3coc(C4CC4)n3)C1)C2 1875277567 QSCFWLBBEIYPBF-QPWUGHHJSA-N 344.411 2.905 0 50 EFAA O=C(NS(=O)(=O)c1nccs1)c1ccc(-c2ccccc2)cc1 1875261522 ZFXWSBGGBRXGNH-UHFFFAOYSA-N 344.417 2.929 0 50 EFAA CC(C)c1c[nH][nH]c1=NC(=O)c1ccc2c(c1)nc(O)n2C1CC1 1875267893 CYUKJOYMUMKHMO-UHFFFAOYSA-N 325.372 2.598 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2c2cnn(C)c2)c(C(F)F)nn1C 1875293275 JYVBYFOQABGQSU-LBPRGKRZSA-N 337.374 2.767 0 50 EFAA O=C(NCCc1ccc(F)cc1)N1CC(c2ncc(C3CC3)cn2)C1 1875282213 RJIIIZMDGYEVLQ-UHFFFAOYSA-N 340.402 2.845 0 50 EFAA COCCN(C)c1ccc(NCc2nccn2-c2ccccc2)nc1 1875262343 MJDCXIUSMWXATH-UHFFFAOYSA-N 337.427 2.962 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cccc(F)c4C3)nn(C)c21 1875404104 VAFLQBALVXXERP-NEPJUHHUSA-N 343.402 2.780 0 50 EFAA COc1ccccc1/C(C)=C/C(=O)N1CCC[C@H]1c1ccc(N)nn1 886097227 OQANPGIMNXYJMY-DBTPVHCXSA-N 338.411 2.834 0 50 EFAA Cc1cccc(CC2CN(C(=O)N[C@@H](C)Cn3cc(C)cn3)C2)c1 888093381 DSXRNZOJIJGKLZ-INIZCTEOSA-N 326.444 2.773 0 50 EFAA COc1cccc2[nH]cc(CC(=O)N3CCOC[C@]3(C)C3CC3)c12 890588801 PTUNQBBFMPHVMV-LJQANCHMSA-N 328.412 2.747 0 50 EFAA CC[C@@](C)(NC(=O)Nc1ccccc1CC(=O)NC)C(F)(F)F 1776005165 AWQUQAICMKHUBL-CQSZACIVSA-N 331.338 2.828 0 50 EFAA COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc2ccccc2o1 3117451 BJHZGEKKMNVQKS-GFCCVEGCSA-N 336.413 2.624 0 50 EFAA Clc1ccnc2c1CCC[C@@H]2Sc1nnnn1[C@H]1CCOC1 2325772672 NXXOKJNGELXFRR-CABZTGNLSA-N 337.836 2.853 0 50 EFAA CN(Cc1ccc(=N)[nH]c1)C(=O)Cc1ccc(SC2CC2)cc1 2325781813 PKCFLAPAMAULMI-UHFFFAOYSA-N 327.453 2.950 0 50 EFAA O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCc2nc(C3CC3)ncc2C1 2325791757 IUGPWKVJMHYRFP-HFTRVMKXSA-N 341.455 2.533 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(C(=S)Nc1cnn(C)c1)C2 899535994 YBJHGOSFUKBSIH-UHFFFAOYSA-N 346.456 2.799 0 50 EFAA C[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)Cc2c[nH]nc21 913594838 WIINEPACGUYWIT-JTQLQIEISA-N 339.317 2.953 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2nc(C3CC3)nc3c2CCC3)C1 952887701 VMDQVVPOROLPFB-IUODEOHRSA-N 341.415 2.501 0 50 EFAA COc1ccc([C@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC 282378 RXYFEOVYJHRDPG-LJQANCHMSA-N 344.363 2.910 0 50 EFAA biogenic COc1cc(Cl)c(S(=O)(=O)NCc2ccccn2)cc1Cl 308918 XUXANQXBVXVJNZ-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA Cc1sc(NC(=O)CSc2nncn2C)nc1-c1ccccc1 317395 SJSXUXBVOOTHLP-UHFFFAOYSA-N 345.453 2.978 0 50 EFAA CC[C@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@@H]1CC(=O)O 391597 AJGVAXFKPKXRHA-LSDHHAIUSA-N 349.427 2.596 0 50 EFAA O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1 1786701 UPMLLNBZEKCDEX-UHFFFAOYSA-N 343.408 2.938 0 50 EFAA CCCCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1 2865911 MRYCXFOCLJKJLQ-UHFFFAOYSA-N 325.825 2.857 0 50 EFAA COC(=O)c1sccc1NS(=O)(=O)c1cc(F)ccc1F 6706549 WDJSGSDPRUMTDJ-UHFFFAOYSA-N 333.337 2.614 0 50 EFAA C[C@H](N[C@H](CO)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 221897503 OXIJLKNQKJOYMB-WMQCIHAUSA-N 340.467 2.599 0 50 EFAA COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 10360930 DNNUPKIUZIPHPR-UHFFFAOYSA-N 346.814 2.897 0 50 EFAA CC[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(F)cc2F)oc1C 55227893 MUNZFHMOGNUDMW-HNNXBMFYSA-N 335.354 2.639 0 50 EFAA O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(CCn2cccn2)C1 343713247 PGKHIVKEXCRXAL-SWLSCSKDSA-N 325.334 2.710 0 50 EFAA OCc1ccc(CN[C@H]2CCCN(CCCc3ccccc3)C2)o1 23375151 DWJSTMDUDZYTNA-SFHVURJKSA-N 328.456 2.959 0 50 EFAA CCCN1CCC(CC(=O)N2CC[C@@](O)(c3ccccc3C)C2)CC1 65403770 FCUZKXSSYMCBGY-NRFANRHFSA-N 344.499 2.927 0 50 EFAA COc1ccccc1CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 345599693 UAIHGHFOUVLFGI-RHSMWYFYSA-N 347.361 2.850 0 50 EFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 65404845 SPFSLKSFTPLQME-OAHLLOKOSA-N 341.459 2.775 0 50 EFAA CC(C)c1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 23375572 NQIXEPGLMGCICI-IBGZPJMESA-N 342.487 2.602 0 50 EFAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCN3CCCC3=O)[nH]c2c1 67991814 MPPKRPCINICXPC-MRXNPFEDSA-N 340.427 2.547 0 50 EFAA Cc1cc2c(c(-c3ccc(C(=O)NCC(C)C)o3)c1)O[C@@H](CN)C2 67675732 VWNVCQJMVIRXNQ-CQSZACIVSA-N 328.412 2.903 0 50 EFAA COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 36365846 QEJSDAJHRURCMH-UHFFFAOYSA-N 329.381 2.682 0 50 EFAA CCNC(=O)[C@H]1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 67562788 IWZMCUKGBZLEGV-LBPRGKRZSA-N 349.381 2.886 0 50 EFAA Cc1nn(C)cc1S(=O)(=O)N[C@@H](C)c1cccc(-n2cccc2)c1 2804715 BHMSRZBYAGCTOE-ZDUSSCGKSA-N 344.440 2.559 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCC[C@@H](O)C1 229751428 IIWHAWXVSYBUNS-KGYLQXTDSA-N 329.318 2.672 0 50 EFAA CC(C)CN1CCN(Cc2cnn(-c3ccccc3F)c2)[C@@H](C)C1=O 77322018 YQDQAOWWARXOTI-HNNXBMFYSA-N 344.434 2.700 0 50 EFAA CCCc1nc(NCCCc2c(C)noc2C)c2cnn(C)c2n1 72426202 FAHWUJDOQBVCMO-UHFFFAOYSA-N 328.420 2.965 0 50 EFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 6738297 JQZQHHGURQKVLG-QGZVFWFLSA-N 340.335 2.556 0 50 EFAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1CCOc1ccc(F)cc1Cl 253395100 CMCPGKHIQBGXTG-NUEKZKHPSA-N 343.826 2.720 0 50 EFAA COc1ccc(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)cc1O 71753311 KRQOJJADWFIOPJ-QGZVFWFLSA-N 346.471 2.983 0 50 EFAA CO[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@H]1N 71749564 LRSPRFBQYGNPOT-AEFFLSMTSA-N 326.396 2.667 0 50 EFAA COC(=O)Cc1ccnc(N2CCC[C@H](c3ccccc3)CC2)n1 253432939 QBPWDLNGRFIJMK-INIZCTEOSA-N 325.412 2.966 0 50 EFAA CCc1n[nH]c(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)c1C 77541198 PUZVZBBZAFRMFO-AWEZNQCLSA-N 326.444 2.940 0 50 EFAA CC(C)N1C[C@H](C(=O)NCc2cc(F)ccc2C(F)(F)F)CC1=O 77505977 YACKEIKPAHNOAX-LLVKDONJSA-N 346.324 2.718 0 50 EFAA O=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@H]1C1CCOCC1 219260813 NAEMGNDXXAMBQW-PMACEKPBSA-N 343.467 2.739 0 50 EFAA COCc1cccc(CC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c1 372261176 LJNLVMVMQVMLMB-FQEVSTJZSA-N 343.398 2.635 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCSC)CC2)OC1=O 77427742 NQCMJZKSRUSTGA-CYBMUJFWSA-N 328.478 2.742 0 50 EFAA COCc1cc(NCc2cc3cc(OC)ccc3[nH]2)n2nccc2n1 72438795 HOZXMLZISKGNRS-UHFFFAOYSA-N 337.383 2.978 0 50 EFAA CCOC(=O)c1scnc1-c1nc2ccc(C(=O)OC)cc2n1C 281314110 ZILPYMZPCJUSQJ-UHFFFAOYSA-N 345.380 2.660 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@H]2CCn3cncc3C2)cc1 332772141 HJGYAPBWWGHYNE-UHOSZYNNSA-N 339.439 2.790 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2cccc(F)c2)c1 282568078 RVAMISXTTQDEPT-AEFFLSMTSA-N 329.371 2.711 0 50 EFAA C[C@@H](c1ccccc1)[C@@H](O)CN(C)CC(=O)Nc1cc(F)cc(F)c1 450557092 VITIIWFDEZHRNS-UGSOOPFHSA-N 348.393 3.000 0 50 EFAA O=C(O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 49467077 NOMFZOJMJFQLRP-CJNGLKHVSA-N 329.396 2.802 0 50 EFAA CC(C)Cn1ncc(NC(=O)N2CC[C@]3(CCNC3)C2)c1C1CC1 333366496 UKGWBYVQWJYCCA-SFHVURJKSA-N 331.464 2.634 0 50 EFAA Cc1ncsc1CCC(=O)NCc1csc(-c2ncccn2)n1 82107923 XVLWNMVACRQUCV-UHFFFAOYSA-N 345.453 2.614 0 50 EFAA CCSc1nc(CC(=O)N[C@@H]2CC(=O)Nc3ccccc32)cs1 222959970 NEONXFNJIILPMY-CYBMUJFWSA-N 347.465 2.997 0 50 EFAA CC(C)(NC(=O)Nc1ccccc1C(=O)N1CCOCC1)C1CCC1 454373325 ISYVWLPDMYSUBH-UHFFFAOYSA-N 345.443 2.859 0 50 EFAA CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1cnn(C)c1 241588446 PDFPPRKYUYFVKP-ZMSDIMECSA-N 346.862 2.596 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCOCC3(CCC3)C2)c1 241588192 PAPIWDUWRMWCPT-UHFFFAOYSA-N 331.416 2.704 0 50 EFAA CCC[C@@H](NCc1cc(C(=O)OC)c(C)n1C)C(=O)OC(C)(C)C 241644664 PSOINYAISOZZDL-OAHLLOKOSA-N 338.448 2.720 0 50 EFAA COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2F)C1 242147503 WSIDTNHXPWLCTM-BDAKNGLRSA-N 333.281 2.916 0 50 EFAA CCCn1ncc(-c2ccnc(NCC[C@H]3CCCN3C)n2)c1C 48435979 MVWUGBHBMABODJ-OAHLLOKOSA-N 328.464 2.955 0 50 EFAA C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)c1nc[nH]n1 174528653 XZMPXZQEIVLJEY-JTQLQIEISA-N 349.232 2.866 0 50 EFAA O=C(NCc1noc(C2CCCC2)n1)c1ccc2c(c1)CCCO2 426529270 KWAGBNSUXIBYAI-UHFFFAOYSA-N 327.384 2.982 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@H](C)Sc3ccccn3)nc2c1 84970426 OEYXYKWKCJYHNH-ZDUSSCGKSA-N 326.425 2.835 0 50 EFAA CCOc1ccccc1CN1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426647258 MMWWVGLSZDBIGQ-OAHLLOKOSA-N 343.427 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CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C)oc2C)C1 780028558 WNEWJCJKHQLXOM-KRWDZBQOSA-N 333.457 2.899 0 50 EFAA CC[C@H](C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 565402 PVCHTCDDFPOLLP-LBTPYSACSA-N 339.189 2.807 0 50 EFAA Cc1ccc2nc(CCN3CCN(CC(F)(F)F)CC3)[nH]c2c1 1506419415 BSHHGBXMNHXMMA-UHFFFAOYSA-N 326.366 2.594 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(OCCO)cc3)C[C@H]2C1 1704353282 DIRFXJQLCLGXGW-QGFMHUBQSA-N 332.488 2.608 0 50 EFAA NC[C@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704307973 AWTBUBMHKQFJKE-SNVBAGLBSA-N 335.791 2.868 0 50 EFAA CCCc1nc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cs1 1772806269 APKKTGRZXGDERJ-UHFFFAOYSA-N 345.472 2.547 0 50 EFAA COc1cccc(OC)c1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772806442 FICYZSMXLCCVAQ-UHFFFAOYSA-N 349.390 2.842 0 50 EFAA CCc1cc(C(=O)N[C@H]2CCCN(Cc3cccc(OC)c3)C2)on1 12054787 PNBIUEAMJOZECZ-INIZCTEOSA-N 343.427 2.640 0 50 EFAA COC(=O)c1ccc(CN2CC[C@H](NC(C)(C)C)CCC2=O)cc1 12245378 JGLQQFBMWCHZPH-MRXNPFEDSA-N 332.444 2.742 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cn1ccc2ccccc21 1857672668 WNYCENWYQPHSLU-ZSZQSSIHSA-N 326.396 2.886 0 50 EFAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C[C@H]2CO1 1857713254 NIUGBBNHLGAQGE-WCQGTBRESA-N 329.227 2.585 0 50 EFAA C[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 225571315 NQUJIBFSHIZXMR-QFBILLFUSA-N 345.487 2.585 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 331632542 PTOCGRCCWYXVAL-MLGOLLRUSA-N 335.354 2.690 0 50 EFAA O=C([C@H]1CCc2nccn2C1)N1CCc2c(Cl)cc(F)cc2C1 650550318 VPJTXATZXMBYOV-NSHDSACASA-N 333.794 2.823 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ncnn1CC(F)F 242273543 YDOYTEXLBFMEFZ-PBFPGSCMSA-N 336.386 2.894 0 50 EFAA CC(C)c1ccc(OCCNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)cc1 246711427 ZZEKIEBWSYIPAX-HOCLYGCPSA-N 338.473 2.508 0 50 EFAA CCOc1ccc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cc1OCC 347423884 ZQXBXRMTYKNFMQ-CQSZACIVSA-N 345.399 2.805 0 50 EFAA Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1 253416238 GERLIUCSSCUBFU-WBVHZDCISA-N 349.496 2.599 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1c1ccccc1 366304240 JABALFYKNOHTGC-DLBZAZTESA-N 331.412 2.663 0 50 EFAA O=C(O)c1ccc(CNC(=O)C2(c3c(F)cccc3F)CCC2)o1 263188644 KZIYIXRHQGLNPK-UHFFFAOYSA-N 335.306 2.994 0 50 EFAA Cc1ncc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)s1 267358422 NGPVEQBPKSFQHK-SNVBAGLBSA-N 344.440 2.501 0 50 EFAA c1ccc([C@]2(c3nc([C@H]4CN5CCC[C@H]5CO4)no3)CCCO2)cc1 901994130 GDLPCIUVDMEFBG-FCEWJHQRSA-N 341.411 2.659 0 50 EFAA COc1ccccc1N(CCO)S(=O)(=O)c1c(C)csc1C 901930629 VTFCWJGVGFEWCK-UHFFFAOYSA-N 341.454 2.561 0 50 EFAA O=S(=O)(Nc1ccnn1[C@@H]1CCOC1)c1cccc(C(F)F)c1 903667150 YNWFDTHZCITTLI-LLVKDONJSA-N 343.355 2.583 0 50 EFAA O=C(O)c1cccc(OCCN2CCCC[C@@H]([C@H]3CCOC3)C2)c1 903961602 COFWSYZWFVCXNN-SJORKVTESA-N 333.428 2.902 0 50 EFAA COc1ccc2onc(CC(=O)NCC3(C4(O)CCC4)CCC3)c2c1 924943766 KGWZHQRXQVXYDG-UHFFFAOYSA-N 344.411 2.580 0 50 EFAA CN(Cc1ncc(Br)cn1)Cc1nc(C2CCC2)no1 931862174 XQAUNOKPHAZUHU-UHFFFAOYSA-N 338.209 2.522 0 50 EFAA O=S(=O)(c1cnc2[nH]cncc1-2)N1CCC2(CCCCCC2)C1 1875289742 LQFKIKIUBOROIU-UHFFFAOYSA-N 334.445 2.645 0 50 EFAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1C(=O)N(C)C1CCC1 1875326162 CKYXGLJAAYQUCO-ROUUACIJSA-N 330.428 2.988 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cnc3c(Cl)cccc3c2)cn1 1875378714 JHKAPHGUTKPKFZ-PEBXRYMYSA-N 328.803 2.885 0 50 EFAA O=C(c1cc2ccc(OC(F)F)cc2[nH]1)N1C[C@H]2CCC[C@@H](C1)NC2 1875345398 ZGMWEBIDDBZFEI-AAEUAGOBSA-N 349.381 2.983 0 50 EFAA Cn1c(-c2noc(C[C@@H]3C[C@H]4OCC[C@@H]4O3)n2)cc2ccccc21 1875306070 RLRUUPAGEQTEFI-VBNZEHGJSA-N 325.368 2.717 0 50 EFAA Cc1ncc2n1CC[C@@H](C(=O)Nc1ccnc(N3CCCCC3)c1)C2 888576111 KOOVOBHAKNDSLY-OAHLLOKOSA-N 339.443 2.778 0 50 EFAA COC1(CNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)CCCC1 895062014 JTGVIAFKDFTSJA-MRXNPFEDSA-N 344.459 2.535 0 50 EFAA Cc1nnc(SC[C@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)s1 1775993764 KAGPNGRBSHFCPX-UTLUCORTSA-N 333.429 2.831 0 50 EFAA CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2c1CCCC2 963118078 BPNNNIAUKNMPAD-OALUTQOASA-N 326.440 2.791 0 50 EFAA 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338020609 MKAFFXKOTRTGGB-RNCFNFMXSA-N 329.213 2.500 0 50 EFAA Cc1nc(-c2ccc(CN[C@@H]3CCOC4(CCOCC4)C3)cc2)no1 82146432 OVDXKNWPAMCFJQ-QGZVFWFLSA-N 343.427 2.863 0 50 EFAA CC(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2ncnn2C)cc1 95517348 VQCJDBNXXYMRJA-OAHLLOKOSA-N 329.404 2.927 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 91643898 GWLKKIITIZNIPJ-HNNXBMFYSA-N 344.455 2.540 0 50 EFAA CC[C@@H](C(=O)NCc1cc(-c2ccc(OC)cc2)on1)n1cccn1 91932849 FZKFNBGOTOJJFT-INIZCTEOSA-N 340.383 2.814 0 50 EFAA O=C(N[C@H]1CCc2ccccc2C1)c1cnc(-c2ccccn2)nc1O 92107956 ZMFNMBWBTJBYFF-HNNXBMFYSA-N 346.390 2.532 0 50 EFAA CCc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95509634 VRTSVSKQKFTJMD-SFHVURJKSA-N 344.455 2.709 0 50 EFAA COC(=O)c1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1 334163306 OCGZUCRBOBLQLR-UHFFFAOYSA-N 349.390 2.742 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c(C)o1 95374892 MJYCHDPYHFSQKV-DNVCBOLYSA-N 341.363 2.599 0 50 EFAA CC(=O)NCCN1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 91468689 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C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2ccc3oc(O)nc3c2)C1 805654317 RHXZRFGLFPNIKI-IJLUTSLNSA-N 346.383 2.583 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)c(C)c1 910621637 PMAOZTNKCWDQCS-HVEKOLDVSA-N 331.412 2.754 0 50 EFAA Cc1cnc([C@@]2(NC(=O)c3cc(F)c(Cl)cc3F)CCOC2)[nH]1 818667629 CQYNKZNZUSWWLI-OAHLLOKOSA-N 341.745 2.695 0 50 EFAA O=C(c1ccnc2cc(Cl)ccc12)N1CCC[C@@H](n2ccnn2)C1 823245727 TYCDYAGCKSCVIH-CYBMUJFWSA-N 341.802 2.957 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 934289314 DLFUYWONEBFDFI-ZDUSSCGKSA-N 338.411 2.627 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)c2c(C)c(O)nc3ccccc23)n1 935506741 QYBSSNBYLNUJSC-NSHDSACASA-N 340.383 2.905 0 50 EFAA C[C@@H](NC(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@H](O)c1ccccc1 1141763214 KITSMGPCKZMRRF-DIFFPNOSSA-N 340.354 2.728 0 50 EFAA C[C@H]1c2ccc(Cl)cc2CCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 1875297068 BGAOONFGMQEVMY-NWDGAFQWSA-N 339.844 2.734 0 50 EFAA CC(=O)N1CC(c2noc(-c3c(Cl)c4ccccc4n3C)n2)C1 1875280309 RJOLYXVKFUCTNX-UHFFFAOYSA-N 330.775 2.827 0 50 EFAA Cc1cccc2nc([C@H]3CN(c4nc5cnccc5n4C)CCO3)cn12 1875273652 XRIXKJYSTQIPLC-QGZVFWFLSA-N 348.410 2.502 0 50 EFAA Cc1cnccc1CNS(=O)(=O)C[C@H]1C[C@@H]1Cc1ccccc1 1875298227 SFSYSIKCCUKBEQ-ZWKOTPCHSA-N 330.453 2.688 0 50 EFAA C[C@@](NC(=O)[C@@H]1CCCc2scnc21)(C(=O)O)c1ccccc1 1875292711 QNBRMVGXOUWZGX-PXAZEXFGSA-N 330.409 2.679 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(CCc2ccccc2)C(C)C)CC1 1875369222 BBYOGZSNDRKYOD-UHFFFAOYSA-N 328.456 2.891 0 50 EFAA CS[C@H]1CCC[C@@H](NC(=O)C2(Oc3ccccc3)CCNCC2)C1 1875391420 OCUUTQHTSNFLHO-WBVHZDCISA-N 348.512 2.978 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)N=c1cc[nH]cc1Br 886044936 ODRJYJYKWZAOTC-ZWNOBZJWSA-N 327.222 2.656 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)NC(C)(C)c1nc2ccccc2[nH]1 1775985042 XSLJCHWQBBXPLW-UHFFFAOYSA-N 346.431 2.829 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3ccc4ccn(C)c4n3)CC2)ccn1 2100537112 IZRXSPXJSFKWLP-UHFFFAOYSA-N 349.438 2.629 0 50 EFAA CC(C)COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)cc1Cl 2325765972 LUEVRRJXPOOHEN-QWHCGFSZSA-N 340.807 2.519 0 50 EFAA O=C([C@H]1CCn2nncc2C1)N1CCC[C@H](c2c[nH]c3ccccc23)C1 2325790963 AOTSDQSBMXFUHD-GJZGRUSLSA-N 349.438 2.728 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCC(=O)N3C3CC3)cc2)c1C 2325792832 PDQNFPAEZGXKFA-KRWDZBQOSA-N 338.411 2.581 0 50 EFAA Cc1cccc2oc(C(=O)Nc3ccnc(N4CCNCC4)c3)cc12 2325796447 QNMLGDKAXMNZAK-UHFFFAOYSA-N 336.395 2.798 0 50 EFAA COc1ccc(-c2cccc(C3(O)CCC3)c2)cc1Cc1nn[nH]n1 2325802267 VIXCXXCCDAOTLC-UHFFFAOYSA-N 336.395 2.838 0 50 EFAA NC(=O)c1cccc(C(=O)NCC[C@H]2CCc3ccccc32)c1F 2325805549 QKRNHNWJUWNSBZ-CYBMUJFWSA-N 326.371 2.775 0 50 EFAA CC(C)c1n[nH]cc1C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CCC2(C)C)C1 957356810 BFLZECVZBXHEAO-IFXJQAMLSA-N 346.475 2.690 0 50 EFAA C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 150173331 FZECBQFAODDFHV-XJKSGUPXSA-N 343.427 2.823 0 50 EFAA COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1cccnc1 66340 XNXOGLFTXJHZHK-MRXNPFEDSA-N 347.378 2.802 0 50 EFAA Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1Cl 104751 GJVLFOBWHUTBJW-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CC(C)N1CCC[C@]2(CCCN2C(=O)CCc2ccc(O)cc2)C1=O 2356138103 HQFXAKYRYSOGOJ-FQEVSTJZSA-N 344.455 2.717 0 50 EFAA O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1)[C@H]1CCCO1 2772718 NQTBZIPRGRLTCL-ZIAGYGMSSA-N 338.791 2.575 0 50 EFAA CC(C)NCCOCCOc1ccc(I)cc1 2981001 SLEOSKBOZYYASI-UHFFFAOYSA-N 349.212 2.685 0 50 EFAA Cc1cc(C(=O)Nc2ccc(I)cc2)no1 7772100 VPJDWYOLAOILRU-UHFFFAOYSA-N 328.109 2.840 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2S(=O)(=O)c2cccc(C)c2)c1 225715328 JKPANAWEQACZRP-QAPCUYQASA-N 347.436 2.500 0 50 EFAA COc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 9874737 REFOJWZMIJUYDJ-UHFFFAOYSA-N 330.340 2.754 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)C1(C)C 248198086 RUPNGMWZWKFDPO-AALSBFMBSA-N 337.460 2.792 0 50 EFAA CC(C)C[C@H]1COCCN1C(=O)NC1CC(C)(C)NC(C)(C)C1 113966800 XWHXUKBYWSWDSE-HNNXBMFYSA-N 325.497 2.752 0 50 EFAA Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)ccc21 114438300 WQPMXJKRTUUYRA-IBGZPJMESA-N 325.412 2.829 0 50 EFAA Cc1nsc(NC(=O)NCc2ccc(-n3ccnc3C)cc2)n1 55183280 UAROMVJGHOAZDH-UHFFFAOYSA-N 328.401 2.662 0 50 EFAA O=S(=O)(CC1CCCC1)NCCc1cnn(-c2ccccc2)c1 177741733 ADCIOXHCYZJGEE-UHFFFAOYSA-N 333.457 2.524 0 50 EFAA CC(C)(C)c1cc(CS(=O)(=O)NCC2(C3CC3)CCC2)no1 328890041 RJWBCMNIJCJWQT-UHFFFAOYSA-N 326.462 2.972 0 50 EFAA COc1ccc2c(C)nc(N3CCC(CCNC(C)=O)CC3)nc2c1 67434442 SLZMJMFGMIEYSQ-UHFFFAOYSA-N 342.443 2.689 0 50 EFAA Cc1cccc([C@@H](C(=O)NCc2cn3cc(C)sc3n2)N(C)C)c1 65376120 WYDFPGGBFNXSOL-INIZCTEOSA-N 342.468 2.932 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@H](CN1CCCC1)c1ccccc1 352888201 NEQFQPUSAVCVDC-LJQANCHMSA-N 348.450 2.990 0 50 EFAA COc1ccccc1CCN1CCC(CN(C)Cc2c[nH]cn2)CC1 11663511 FIGYVJXQIGSQDZ-UHFFFAOYSA-N 342.487 2.805 0 50 EFAA Cn1c(=O)oc2c(C(=O)NCCCCCN3CCCCC3)cccc21 120393604 HHEVFANMNBZCER-UHFFFAOYSA-N 345.443 2.518 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 252477374 MRDLKAWPCLGGHR-NZSAHSFTSA-N 343.467 2.885 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 252477207 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RLJFDBOMOMFHRI-HNNXBMFYSA-N 338.398 2.965 0 50 EFAA CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cn(C(C)(C)C)nn1 332045600 LOIFXFWFNJTEMM-HNNXBMFYSA-N 341.459 2.556 0 50 EFAA O=C(c1cccc(CO)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 366371101 ROXWWCRCVXDPKM-OAQYLSRUSA-N 339.435 2.636 0 50 EFAA CC[C@H](NC(=O)CN(C)Cc1ccncc1)c1nc(C)c(C)s1 219138571 VBARRKMOAUXXAX-HNNXBMFYSA-N 332.473 2.854 0 50 EFAA O=C(C[C@@H]1COCCN1)Nc1ccc(SCc2ccco2)cc1 72139001 ASZBLMWMLGJAGS-CQSZACIVSA-N 332.425 2.889 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 72158702 CKQCLAOLVSOWPQ-UHFFFAOYSA-N 345.406 2.994 0 50 EFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)CC(C)(C)C)C1 72419518 ZWHREAQUGDTTAJ-HNNXBMFYSA-N 347.507 2.553 0 50 EFAA C[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1 337116876 ZMGMXWILPSVXCY-ZJUUUORDSA-N 326.322 2.815 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](n3cncn3)C2)cc1F 156925767 ONPAYHYTESTRIW-HIFRSBDPSA-N 331.395 2.833 0 50 EFAA CC(=O)Nc1ccc(CCNC(=O)[C@@H](C)c2ncccc2F)cc1 240757016 HVWVZZJSTMEOQL-LBPRGKRZSA-N 329.375 2.642 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1c(=O)cnc2ccccc21 241946767 UNTUYOPKKSJNRR-IJEWVQPXSA-N 325.412 2.576 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCc2cc(C)nn2C)c1 451536099 OYXQPIDHQPAHSR-UHFFFAOYSA-N 343.305 2.566 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc3ccccc3s2)C1 284708930 ZSXNCDRCTODDAG-NEPJUHHUSA-N 328.397 2.622 0 50 EFAA Cc1ccn2ncc(C(=O)N[C@H]3CCCc4nc(C)sc43)c2n1 378594050 FWPGVIQLXZPVRX-ZDUSSCGKSA-N 327.413 2.610 0 50 EFAA CN(C)Cc1ccccc1CN(C)C(=O)[C@H](O)c1cccc(F)c1 220651810 BYQAZVNZXHMTEP-GOSISDBHSA-N 330.403 2.579 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N1CCC(c2nccn2CC2CC2)CC1 82160573 ACSQLBONRBJJME-OAHLLOKOSA-N 344.503 2.920 0 50 EFAA Cc1cccnc1NCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 91655903 JVSQMXUYNGXJKX-UHFFFAOYSA-N 339.374 2.761 0 50 EFAA CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)[nH]n1)c1cccs1 97475590 LJQVWGOTTUELQJ-OAHLLOKOSA-N 341.440 2.566 0 50 EFAA Cc1c(NC(=O)NCC2(Cn3cccn3)CC2)cc2[nH]cnc2c1C 96137152 FZJGBSNBVITNSB-UHFFFAOYSA-N 338.415 2.978 0 50 EFAA Cc1nccn1-c1ccccc1CN1C[C@@]2(CCOC2)CCC1=O 91548338 CUPPWISNVNABJR-IBGZPJMESA-N 325.412 2.710 0 50 EFAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(Oc2ncccn2)CC1 426401921 PRJNPUFZNJIOBU-OWCLPIDISA-N 342.443 2.632 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)c(F)c1)C2 91769258 JZPSASDQDWVBCS-QWHCGFSZSA-N 338.810 2.952 0 50 EFAA Cc1ncc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c(C(C)C)n1 179959710 FXDQGXHARJNAEB-UHFFFAOYSA-N 347.440 2.873 0 50 EFAA CC(C)c1nc(CNc2cc([C@H]3C[C@H](N)C3)nc(C3CC3)n2)no1 244874187 WWFBLETWOPVEHE-HAQNSBGRSA-N 328.420 2.677 0 50 EFAA CC(C)(C)[C@@H]1CC[C@@H]2OCCOCCOCCOCCO[C@H]2C1 245204969 KEDVODGFVKTPLB-IKGGRYGDSA-N 330.465 2.666 0 50 EFAA COC[C@]1(C)CCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 296319522 DLVUCXSAQIFOIH-MRXNPFEDSA-N 346.349 2.995 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 257346268 WZLPMEFLVNRRPZ-KSKPGIFSSA-N 346.467 2.809 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)NOCc1ccc(F)cc1 184642645 FUBZKPPKNGZVAR-INIZCTEOSA-N 332.379 2.636 0 50 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301095406 IWNGQKWMDQDRFU-UHFFFAOYSA-N 331.391 2.955 0 50 EFAA COc1cccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccsc2)c1 272833471 NICLBEKQZADVNA-INIZCTEOSA-N 344.436 2.850 0 50 EFAA CC(C)c1nc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)cs1 275780015 CHKLIPRQFWIDBS-BXUZGUMPSA-N 334.445 2.650 0 50 EFAA O=C(CN1CCn2c(cc3c(Cl)cccc32)C1)Nc1nncs1 278035353 BSUKUJBTNRWNMM-UHFFFAOYSA-N 347.831 2.601 0 50 EFAA O=C1CCCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)N1 193867576 OXVVLYLTZFFELW-ZDUSSCGKSA-N 338.367 2.820 0 50 EFAA CSCc1noc(CNC(=O)C(C)(C)Nc2ccc(C)cc2)n1 1506400454 ACACIGQGHAIVPR-UHFFFAOYSA-N 334.445 2.748 0 50 EFAA O=C1CN(Cc2nc3c(s2)CCCC3)C[C@H](Cc2ccccc2)N1 1772701464 MSBSXDAMDMMATO-HNNXBMFYSA-N 341.480 2.565 0 50 EFAA O=C1NCCc2ccc(-n3ccnc3-c3ccc4c(c3)CCO4)cc21 1772805378 MMKPOMMULPWNBF-UHFFFAOYSA-N 331.375 2.760 0 50 EFAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@@H]3CCOC3)c12 14879580 VRUIWZZIIULIPU-LLVKDONJSA-N 334.445 2.681 0 50 EFAA CN(C)CCOc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1Cl 116816194 WASSBKBWNGUVHA-UHFFFAOYSA-N 348.834 2.745 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCC(F)(F)C2)c(Cl)c1 315486636 MNLVTSSKLSIJNY-QMMMGPOBSA-N 339.747 2.504 0 50 EFAA CNc1ccc(Cl)c(C(=O)N2CCCN(c3cccnn3)CC2)c1 646824985 KZTYBWXMGOLFFT-UHFFFAOYSA-N 345.834 2.524 0 50 EFAA COCCn1ccc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)n1 364416205 OFYZOTNLUOWSFL-LJQANCHMSA-N 327.428 2.642 0 50 EFAA CCC(CC)n1nc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1C 375047776 FJWAZMPJMMABOB-OAHLLOKOSA-N 343.475 2.991 0 50 EFAA O=C(O)c1cccc(N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 900988390 LYSBSCUMJCAGPB-SECBINFHSA-N 340.305 2.906 0 50 EFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)NC[C@@H]1Cc2ccccc21 919657954 FOLIZNIYWHSDJK-AWEZNQCLSA-N 348.406 2.817 0 50 EFAA Cc1cncc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)F)c1 935128982 WUDPBZNMZFBAPP-GDBMZVCRSA-N 332.350 2.891 0 50 EFAA Cc1ccc(F)c2oc(C(=O)N3CCC[C@H]4C(=O)N(C)C[C@H]43)cc12 935896944 NQMQOGUSMYZJJC-BXUZGUMPSA-N 330.359 2.573 0 50 EFAA COc1ccccc1Oc1ccc(C(=O)NCc2ncccn2)nc1 1288502706 ULTFYVPRRAZEOE-UHFFFAOYSA-N 336.351 2.603 0 50 EFAA CC[C@H](C)CN(C)C(=O)c1cnc(I)c(O)c1 863948455 SYMOXKLBDAEYEJ-QMMMGPOBSA-N 348.184 2.510 0 50 EFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F 952889789 GBAINFSHOUFFRG-CYBMUJFWSA-N 349.337 2.682 0 50 EFAA Cn1cc(CC2CN(C(=O)[C@@H]3[C@@H]4CC[C@@]3(c3ccccc3)C4)C2)cn1 1875278680 VFYVVVHIGJXSAY-LMNJBCLMSA-N 335.451 2.789 0 50 EFAA Cc1ncc([C@H](C)NC(=O)Cc2ccc3c(c2)CCC(=O)N3)s1 1875295632 LVUIUERJGARGMR-JTQLQIEISA-N 329.425 2.756 0 50 EFAA CCn1cc(CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C(C)C)cn1 1875395215 RNWIMXSUEXSTSG-QWHCGFSZSA-N 345.447 2.699 0 50 EFAA NC[C@@H]1C[C@H]1CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 1875306354 BFKSAOSWWRAZAB-RYUDHWBXSA-N 326.362 2.838 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)/C=C(\C)c2ccccc2C)C1 886097049 KBROKOLBHKPNDJ-HEHZLSOZSA-N 340.427 2.515 0 50 EFAA O=C(N[C@H]1CCn2ccnc21)N1CCC[C@H]1COc1ccc(F)cc1 895077331 JXRIDAFXRGIXIO-HOCLYGCPSA-N 344.390 2.720 0 50 EFAA C[C@@H](CO)NC(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 1776005644 MRTVQKZYYUXSDD-VIFPVBQESA-N 340.305 2.665 0 50 EFAA O=C1OCC[C@@H]2[C@@H]1[C@H]1CCCN1C21CCN(Cc2ccccc2)CC1 4722431 QTWXGPYSKRWGJN-GUDVDZBRSA-N 340.467 2.679 0 50 EFAA CC[C@H](CSCC(=O)NCC(=O)NC(C)(C)C)CC(F)(F)F 2325772586 AZEVXGOZQGJBNA-JTQLQIEISA-N 342.427 2.729 0 50 EFAA CN1CC[C@H](C(=O)N[C@H]2CCCC23CCCC3)[C@@H](c2cnn(C)c2)C1 2325787037 XSLLYZGJEKMJKM-KSZLIROESA-N 344.503 2.685 0 50 EFAA Cc1ccc2cc(-c3cnc(C(=O)N4CCC[C@H](N)C4)cn3)ccc2n1 2325796848 VEVGYJDCHLFBHY-INIZCTEOSA-N 347.422 2.564 0 50 EFAA O=C(NC[C@@H]1CCCc2cccnc21)c1n[nH]cc1-c1ccncc1 2325797982 CXPQASYDPISPCJ-HNNXBMFYSA-N 333.395 2.717 0 50 EFAA C[C@@H](Cc1ccco1)C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2 2325812931 UYBDWJKXHXPRQV-FZMZJTMJSA-N 345.351 2.519 0 50 EFAA C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CN1c1ccccc1 245344216 YELOCJFZHHPGEG-BMFAXAFESA-N 342.487 2.532 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)NC(=O)N1 124314 NAOJNYMMDVGEOY-INIZCTEOSA-N 348.399 2.675 0 50 EFAA O=C(c1ccc(O)cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 352092 HOUUJZSFWDPLLD-RISCZKNCSA-N 328.290 2.645 0 50 EFAA Cc1sc(NC(=O)CCC(=O)O)c(C(N)=O)c1-c1ccccc1 372177 XVGWHLLTHZCROA-UHFFFAOYSA-N 332.381 2.626 0 50 EFAA CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 379377 RZFZYQPXQKVPTM-UHFFFAOYSA-N 349.408 2.674 0 50 EFAA Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccccc1 620322 TVPHFGAOWBNDTF-UHFFFAOYSA-N 330.457 2.977 0 50 EFAA O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1193604 JPVGYZQZTZCLRZ-UHFFFAOYSA-N 339.800 2.616 0 50 EFAA CCCCCc1nc(-c2ccnn2C(C)C)n(C[C@@H]2COCCO2)n1 2356162314 HHLWDQXGXGWZBY-OAHLLOKOSA-N 347.463 2.871 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2nc3ccccc3s2)C[C@@H]1O 2356167635 WMMUCIMZJJUZFY-YOEHRIQHSA-N 334.441 2.734 0 50 EFAA CCCC[C@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 2810619 DEMNMSLJCQJOQV-MRXNPFEDSA-N 328.412 2.854 0 50 EFAA COC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 4056269 FYTDNDHPASWBNF-UHFFFAOYSA-N 328.393 2.915 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccccc2F)CC1 4241739 ZSGKIKRNLJANGA-CQSZACIVSA-N 338.379 2.504 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CC(C)C)c1 4599473 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332.488 2.751 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(C)nc3)cnn2c1 67851387 XGZKGSCLDJPRNU-UHFFFAOYSA-N 338.415 2.527 0 50 EFAA O=C(c1cn2c3c(cc(Br)cc3c1=O)CC2)N1CCCC1 33088999 ZAXZDZSRRJRCHD-UHFFFAOYSA-N 347.212 2.556 0 50 EFAA Cc1noc([C@@H]2CCCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)C2)n1 252517198 BWWKLPDTPZIZNT-JJRVBVJISA-N 342.443 2.823 0 50 EFAA C[C@H](NCC(=O)N1CCC[C@H]1c1ccsc1)[C@@H](C)n1cccn1 229895889 KBSRKFVFIMNVKD-LZWOXQAQSA-N 332.473 2.847 0 50 EFAA Cc1ccnc([C@@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1 71749156 XEMHWSIRAJDZHG-SFHVURJKSA-N 335.407 2.547 0 50 EFAA Cc1ccc2[nH]c(CCCNC(=O)[C@@H](C)n3cccn3)nc2c1C 219380160 IIPVKSLICXBFLB-CQSZACIVSA-N 325.416 2.686 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253623534 YPQLJJCQLWPVKQ-BZUAXINKSA-N 340.427 2.627 0 50 EFAA Cc1[nH]c2ccc(CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc2c1C 12575408 ZWGWWIWJUDFPLM-INIZCTEOSA-N 341.455 2.905 0 50 EFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3ncoc3C3CC3)CC[C@H]21 72477501 BOUZRPJPQPYSFO-LSDHHAIUSA-N 345.443 2.805 0 50 EFAA Cc1nc(S)sc1CC(=O)NC[C@H](C)c1c(C)noc1C 152564988 NYUYJLGHJNZMLI-ZETCQYMHSA-N 325.459 2.807 0 50 EFAA O=C(CC1=CSC2=NCCCN12)N(Cc1ccncc1)C1CC1 219940309 UXEQBLNJGCCQKA-UHFFFAOYSA-N 328.441 2.613 0 50 EFAA COc1ccc(CCC2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)O)CC2)cc1 367513996 LCNQZYXUDRORHO-QZTJIDSGSA-N 345.439 2.977 0 50 EFAA Fc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(F)c1F 215349938 IVUMFVIRKPDJDF-AWEZNQCLSA-N 328.378 2.791 0 50 EFAA Cc1cnc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)c(Br)c1 280913851 AFLJSWYOHWOJMG-SNVBAGLBSA-N 349.232 2.630 0 50 EFAA O=C(NC1CCC(F)(F)CC1)c1cc(N2CCNC2=O)ccc1F 332407120 ICHNKDYLYJXLCZ-UHFFFAOYSA-N 341.333 2.663 0 50 EFAA COc1cccc(COC[C@@H](O)CN2CCC=C(c3ccco3)C2)c1 375653204 OIEWWBBYAUCPKJ-SFHVURJKSA-N 343.423 2.955 0 50 EFAA O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CC[C@H](CO)C1 156940702 PTVRZOVHZQIZKQ-HNNXBMFYSA-N 341.455 2.925 0 50 EFAA CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2F)c2ccccc21 371084771 FKHXXXHSMBHUKJ-OAHLLOKOSA-N 348.399 2.602 0 50 EFAA CN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 237224640 SHUAXTWABVUPTH-WDEREUQCSA-N 331.290 2.622 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCc2cn3c(n2)SCC3)c1 72431008 CNFSGACMOZCFTR-UHFFFAOYSA-N 345.468 2.622 0 50 EFAA Cc1cc([C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C(=O)O)ccc1F 262860189 AICJSCNRWQTJIV-QFYYESIMSA-N 347.390 2.530 0 50 EFAA Cc1nc(CC(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cs1 237622574 DVLBTTRVYOYSKK-UHFFFAOYSA-N 340.788 2.750 0 50 EFAA COCC1(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)CCC1 241213408 KOPFLRHSKVCGSB-UHFFFAOYSA-N 344.419 2.612 0 50 EFAA CCCN1CCCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1=O 241587815 OXIARMFFAPLYKI-UHFFFAOYSA-N 344.459 2.763 0 50 EFAA O=C(c1ccccc1F)N1CCCN(Cc2cncc(F)c2)CC1 241776891 RTJARXKJLPABOG-UHFFFAOYSA-N 331.366 2.708 0 50 EFAA C[C@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)n1cncn1 242047985 VRTYQVWRMJUAPV-SECBINFHSA-N 330.413 2.621 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N(CCO)Cc1ccc(Cl)cc1 242339271 ZGLKOONERAXUQS-UHFFFAOYSA-N 347.798 2.632 0 50 EFAA O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@H](c2ncc[nH]2)C1 284155470 FIQNVABDXPCVMD-JTQLQIEISA-N 343.811 2.771 0 50 EFAA O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CC(=O)N(C2CC2)C1 48350595 RLLPAVWQPNRKIN-AWEZNQCLSA-N 344.430 2.765 0 50 EFAA COC(=O)c1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)nn1 131761171 APAAOJWFSNTXNT-NSHDSACASA-N 333.775 2.574 0 50 EFAA CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)nc(C)n1 174206856 PDXOIIGCSUIQAX-GJZGRUSLSA-N 339.395 2.861 0 50 EFAA CCOC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc(C)c1C 17067032 DLDJBMOCLIMIMJ-QMMMGPOBSA-N 327.402 2.981 0 50 EFAA Cc1cnc([C@H](NC(=O)c2cc(Cn3cccn3)on2)C2CC2)s1 340714697 RVMXEIQHUQVFHJ-CQSZACIVSA-N 343.412 2.565 0 50 EFAA CCC(=O)c1ccc(-c2cccc(C(=O)NCCNC(C)=O)c2)cc1 426444695 UWYCSKRRDKHRQP-UHFFFAOYSA-N 338.407 2.812 0 50 EFAA CCCC[C@@H](CC(=O)O)NC(=O)N1CC(Oc2ccc(F)cc2)C1 426421840 KUVYDTNMMACRJS-ZDUSSCGKSA-N 338.379 2.632 0 50 EFAA CCCN1C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426599829 YDWCFNFESPRCLB-GOSISDBHSA-N 343.471 2.511 0 50 EFAA CCc1nccn1CCCNC(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C 426474176 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0 50 EFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3cccn3C(C)C)C2)n1 252489333 JOJPZTFKPJBGBC-CQSZACIVSA-N 328.416 2.893 0 50 EFAA O=C(NCCc1cn2ccsc2n1)c1ccc(CN2CCCC2)o1 299770534 RRUOQXLHNYUPQW-UHFFFAOYSA-N 344.440 2.557 0 50 EFAA O=C(NCCN1CCC(CO)CC1)[C@H](c1ccccc1)C1CCCC1 299796372 MIGYBWSVOJPGAL-HXUWFJFHSA-N 344.499 2.781 0 50 EFAA Cc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cnn1C 299797166 QHMWZNWMWFPFDA-KRWDZBQOSA-N 345.422 2.826 0 50 EFAA CCN1CCC[C@H]1CN1C(=O)CC[C@@H]1CCNCc1ccccc1F 823110167 BYSGGPWSKAACJH-MSOLQXFVSA-N 347.478 2.781 0 50 EFAA CC[C@@H](C)Oc1ccccc1CN1CCC(c2nc(N)n[nH]2)CC1 822645475 NTNWYZQGGUCNSU-CYBMUJFWSA-N 329.448 2.944 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)C1 408519530 GUFPGIVIVOOGLC-KBPBESRZSA-N 340.464 2.659 0 50 EFAA CN(C)c1ncc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 271232138 UVPRIRFSRAWLIZ-ROUUACIJSA-N 326.444 2.631 0 50 EFAA CCn1c(=O)c(NC[C@@H](O)c2c(F)cccc2F)nc2ccccc21 1472875615 FPEWJYXQTRHMIJ-OAHLLOKOSA-N 345.349 2.840 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2ncn[nH]2)cc1 186034078 XKENLIOOMQRVBZ-JKSUJKDBSA-N 328.416 2.653 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)c1cccs1 275327980 PVFPIYKJFJVBPC-HICWGWBUSA-N 333.457 2.848 0 50 EFAA Cc1ccc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(N)=O 170592733 LUBPQFVZHVDQJP-LBPRGKRZSA-N 332.425 2.671 0 50 EFAA Cc1cc([C@@H](C)NC(=O)[C@@H]2COCCN2CC(F)F)c(C)s1 187231252 LLNNCULNYNUUBY-MFKMUULPSA-N 332.416 2.508 0 50 EFAA CCc1ccc(N(CC)S(=O)(=O)c2cc(C(=O)O)ccn2)cc1 634788142 FSVVWVWGBSVRIG-UHFFFAOYSA-N 334.397 2.557 0 50 EFAA COc1ccccc1C[C@@H](N[C@H](C)c1nnnn1C1CC1)C(C)C 192178890 XZBWMOGOOCKIQE-CZUORRHYSA-N 329.448 2.935 0 50 EFAA O=C(C[C@H]1COCCN1C(=O)[C@H]1CCc2ccccc21)c1ccco1 677316217 IUJVBHLCHKRCDC-RDJZCZTQSA-N 339.391 2.810 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 193677804 CLKMXZAQQRBFOT-HNNXBMFYSA-N 335.448 2.723 0 50 EFAA C[C@@H](C(=O)OCC(=O)c1ccccc1F)N1CCc2ccccc2C1 735955819 CJEFGPPDWLWCAL-AWEZNQCLSA-N 341.382 2.998 0 50 EFAA NC(=O)c1cc(NC(=O)[C@H]2CCCN2c2ccccc2)ccc1F 683732508 YZDQOAIJCZJMDW-MRXNPFEDSA-N 327.359 2.532 0 50 EFAA Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653328344 HWWZXTCDRKMXHD-ZIAGYGMSSA-N 327.384 2.885 0 50 EFAA Oc1ncnc2c(N3CCC(c4nc5ccccc5[nH]4)CC3)nccc12 656106847 CJEBCJNUGBFRPR-UHFFFAOYSA-N 346.394 2.991 0 50 EFAA CCc1nn(C)c(NC(=O)c2c(C)nn3c(C)cc(C)nc23)c1CC 1529196880 JAJMQKWIEWAMLO-UHFFFAOYSA-N 340.431 2.765 0 50 EFAA N=C1NC(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)S1 4158479 OXEBTDZOHRBJKW-PFONDFGASA-N 335.388 2.742 0 50 EFAA C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 12414233 WERHEAMZFYEFSA-MNEFBYGVSA-N 336.451 2.514 0 50 EFAA O=C(NC[C@@H]1Cc2cc(-c3cncnc3)ccc2O1)[C@@H]1C[C@@H]2C=C[C@H]1C2 14881597 MSUKJDWEDCNKOL-OPGCRTJHSA-N 347.418 2.776 0 50 EFAA Cc1c(C(=O)N2CCCC2)cnn1-c1nccc(-c2cccs2)n1 15008083 UYUNODDHQAZZEK-UHFFFAOYSA-N 339.424 2.935 0 50 EFAA O=C(Cc1cccs1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 220345237 RAQQJRWZCYIXIJ-DOXZYTNZSA-N 343.448 2.854 0 50 EFAA COCCNC(=O)c1cccc(-n2ccnc2-c2cnsc2)c1C 1857671559 ICXXXOYNKVFLCF-UHFFFAOYSA-N 342.424 2.680 0 50 EFAA C[S@@](=O)C1(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCC1 408515546 QMKDJEKUHFSKTL-IQMFZBJNSA-N 338.448 2.804 0 50 EFAA COc1ccccc1C[C@H](C)CC(=O)N1CC(=O)Nc2cnccc21 408513047 WPUGQYMCAFHXDM-ZDUSSCGKSA-N 339.395 2.644 0 50 EFAA C[C@H]1[C@@H](C)SCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 118287137 MJWIQIDOCDAIPQ-NWDGAFQWSA-N 333.457 2.531 0 50 EFAA F[C@H]1C[C@@H](CN[C@H]2CCC[C@H](C3CC3)C2)N(Cc2cncnc2)C1 328642134 QVZTYKUHNUUZBL-VJANTYMQSA-N 332.467 2.947 0 50 EFAA COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@@H](C)N)C1 237108200 QVAIWNGNSYPSTM-OLZOCXBDSA-N 340.851 2.565 0 50 EFAA COc1ccc(Cl)cc1CNC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 333872965 UWUVUXWXOIBQQL-KGLIPLIRSA-N 338.835 2.915 0 50 EFAA CC(C)n1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1N 758536676 ZSGZXZVFCDDEBK-CYBMUJFWSA-N 347.850 2.708 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1ccco1 136470510 CBVBGLKSEIYCRD-AWEZNQCLSA-N 342.351 2.611 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)O)cc1Cl 263044318 NMNULTOHJDYXNI-PCVQNBPASA-N 335.787 2.803 0 50 EFAA C[C@]1(c2nc(-c3csc(C(F)(F)F)c3)no2)CCNC(=O)C1 904161009 MZKLXLYUAIOWDB-LBPRGKRZSA-N 331.319 2.985 0 50 EFAA CCn1nc(C2CC2)cc1C(=O)N1CCCc2ccnc(N(C)C)c21 906133100 AUHXUYHYRBQAAM-UHFFFAOYSA-N 339.443 2.834 0 50 EFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 818313376 PORDWRVBJDHZAZ-CQSZACIVSA-N 349.280 2.550 0 50 EFAA C[C@](O)(C(=O)NCc1nnc(C2CC2)s1)c1ccc(Cl)cc1 840550839 GFBGQMIZZNWCFP-OAHLLOKOSA-N 337.832 2.593 0 50 EFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1nccc2cccnc12 935029515 HGUZFUYCLGYAFM-UHFFFAOYSA-N 349.316 2.654 0 50 EFAA C[S@](=O)Cc1ccc(CNC2[C@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]3C[C@H]5[C@H]4[C@@H]23)cc1 952877415 PTGINZVIZCVSAM-JRQZCGQNSA-N 327.493 2.801 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(CO)CCc3ccccc32)[nH]1 1875266716 DRMWAHIEWJXLJM-OAQYLSRUSA-N 346.434 2.557 0 50 EFAA COc1ccc(CC[C@@H](NCc2ccc3c(n2)CCC3)C(=O)O)cc1 1875291762 KRWRSKRJLSMQPW-LJQANCHMSA-N 340.423 2.755 0 50 EFAA O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCn2nc(C3CC3)cc2C1 1875276593 GHLFSQOIUFTBTI-QXAKKESOSA-N 334.423 2.624 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2csnc2OC)cc1 1875373944 VHQYJDNTNXIEOD-UHFFFAOYSA-N 345.424 2.573 0 50 EFAA CC(C)(C)c1ccc(CNc2ncnc3sc(=N)[nH]c23)c(O)n1 1875331622 QHXAEPYOSKIHFZ-UHFFFAOYSA-N 330.417 2.509 0 50 EFAA COc1ccc(F)c(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1 1875403756 APMLKMGGLHTBND-WDEREUQCSA-N 347.390 2.520 0 50 EFAA CO[C@]1(c2nnc(-c3cnn(-c4ccccc4C)c3C)o2)CCOC1 886086455 VBZDSNUEVHSPSH-GOSISDBHSA-N 340.383 2.801 0 50 EFAA O=C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)[C@@H]2CCCN12 888172215 HKEFEBALFSFEIG-OAHLLOKOSA-N 326.352 2.866 0 50 EFAA Cc1csc([C@@H]2CN(Cc3cccc4nc(O)oc34)CCO2)n1 891885048 RACBHRAJXYSQOT-ZDUSSCGKSA-N 331.397 2.872 0 50 EFAA COc1nccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1F 891860774 IHDXIFBVZSUFLO-CYBMUJFWSA-N 337.439 2.602 0 50 EFAA CO[C@](C)(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)O)CC1)c1ccccc1 2325775273 QWBNAEPPVKOLLL-FCEWJHQRSA-N 331.412 2.508 0 50 EFAA Cc1ccn(-c2ccc(-c3noc([C@@H]4CNCC(C)(C)O4)n3)cc2)n1 2325780089 GUETWXIADNQVFJ-HNNXBMFYSA-N 339.399 2.670 0 50 EFAA Cc1nnc2c3ccccc3c(=NCCc3cc(O)cc(F)c3)[nH]n12 2325824163 RLRMEXRSRUTJQC-UHFFFAOYSA-N 337.358 2.507 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)c1ccc2c(Br)cnn2c1 2325840653 KGWSGWINRWBHAT-UHFFFAOYSA-N 334.177 2.689 0 50 EFAA CSc1cc(-c2nc(-c3ccc4nnc(O)n4c3)no2)oc1C 2325869923 BNTGKVWIVITKTF-UHFFFAOYSA-N 329.341 2.775 0 50 EFAA Cc1c(NC(=S)NC(=O)c2ccccc2F)cccc1C(=O)O 311353 RBHPNJFRBCXNRS-UHFFFAOYSA-N 332.356 2.959 0 50 EFAA O=C(OC1CCN(CCO)CC1)C(c1ccccc1)c1ccccc1 409587 JQTRZESJAGOXTL-UHFFFAOYSA-N 339.435 2.818 0 50 EFAA Cc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1Cl 1072102 MMZSQDZTNOEKIJ-GFCCVEGCSA-N 332.787 2.911 0 50 EFAA Cn1c2ccccc2c2nnc(SCC(=O)N3CCCCC3)nc21 2342112 FXKFTILVHFKLMK-UHFFFAOYSA-N 341.440 2.621 0 50 EFAA COc1cc(C(C)=O)ccc1OCCn1cnc2ccccc2c1=O 4841355 MMKOMTTUVHTIPM-UHFFFAOYSA-N 338.363 2.687 0 50 EFAA O=C(Nc1ccc(F)c(F)c1)c1c(O)c2cccc3c2n(c1=O)CC3 100621266 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EFAA COC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 67758295 GFUCRLIBXDURLP-AWEZNQCLSA-N 329.444 2.531 0 50 EFAA COCCN(C)c1ccc(CNc2nccn2-c2ccccc2)cn1 351569224 SBQHVDRFGOCHBX-UHFFFAOYSA-N 337.427 2.962 0 50 EFAA CC(C)=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C 133685 CXBMCYHAMVGWJQ-LSDHHAIUSA-N 331.412 2.965 0 50 EFAA biogenic,in-man CCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cn1 2767499 HQTITLXJFNUWMH-UHFFFAOYSA-N 334.228 2.688 0 50 EFAA CNC(=O)[C@@]1(C)CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 280491583 IGFBOFRLHGRRLR-AWEZNQCLSA-N 329.322 2.695 0 50 EFAA O=C(NC(=O)c1ccc(F)cc1)OC[C@@H]1CCCN2CCCC[C@H]12 4653870 HQTAXOPUMYCJIK-GOEBONIOSA-N 334.391 2.957 0 50 EFAA CC1CCN(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 229640014 PFRKTYJFXBWZTO-UKRRQHHQSA-N 326.462 2.812 0 50 EFAA Cc1[nH]nc(CCC(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)c1C 77519687 FLONLUCUWQZFGO-KRWDZBQOSA-N 340.471 2.944 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(Cn2cccn2)cc1 237939965 LTFLCETVXIDISZ-KRWDZBQOSA-N 341.411 2.791 0 50 EFAA CN(C)CC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 253392807 VICYMHISPHLIEC-HNNXBMFYSA-N 348.491 2.850 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCN(C)c2ccccc2C1 253425134 AZLHHNFOYQHSEL-CQSZACIVSA-N 340.427 2.813 0 50 EFAA OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc2c1OCCO2 172067631 QOAWTPLUPMZKNS-MRXNPFEDSA-N 338.407 2.632 0 50 EFAA CCn1nccc1/C=C/C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 374724857 BEHLKMXVSRYNMX-IWAYRVGRSA-N 335.411 2.740 0 50 EFAA CSCCCN1C(=O)CC[C@H]2CN(c3ncccc3F)CC[C@H]21 72411941 HZBPZAFCFNHCCM-DZGCQCFKSA-N 337.464 2.791 0 50 EFAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@@H](c2nnc3ccccn23)C1 367121085 LNDPTORWCOUYSV-CQSZACIVSA-N 335.411 2.955 0 50 EFAA O=C(NCC[C@H]1CCNC1)c1cccc(NC(=O)c2cccs2)c1 262576916 KHBWCQSUCRFDEM-CYBMUJFWSA-N 343.452 2.730 0 50 EFAA Brc1ccc([C@H]2CN(C[C@H]3CCCNC3)CCO2)cc1 261638795 ACQASYHUGIZQDE-XJKSGUPXSA-N 339.277 2.822 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)C1 262150425 LMBDUFPMEDWVOH-AWEZNQCLSA-N 331.290 2.565 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCCN(Cc2cccs2)CC1 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CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCCc1ccccc1)C2 91587448 MYAFISHTLDOJHZ-RBUKOAKNSA-N 328.456 2.869 0 50 EFAA COc1ccc(-n2ccnc2CN(C)[C@@H](C)Cc2cnccn2)cc1 97527907 XIPPCYZCSOWERJ-HNNXBMFYSA-N 337.427 2.734 0 50 EFAA COCCN1CC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 91770440 VTAJRZZAVBHBAT-HXUWFJFHSA-N 344.499 2.826 0 50 EFAA COc1ccc(Cl)cc1NC(=O)NCC1(N(C)C)CCOCC1 95508032 NPWMEINKPDCBAW-UHFFFAOYSA-N 341.839 2.581 0 50 EFAA O=C(CCc1nc2ccccc2s1)NCc1cn2c(n1)SCC2 96142020 TYAKZDKABSYXHS-UHFFFAOYSA-N 344.465 2.848 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1ccnc(C)c1)C2 95353323 QSMQEYTUGLXTQQ-MRXNPFEDSA-N 326.396 2.608 0 50 EFAA CN(C)CCOc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1 162598406 CWFPHTPEUYONIS-GOSISDBHSA-N 328.460 2.528 0 50 EFAA Cc1c(F)cccc1CN1CC[C@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 244788104 QJKXLSFRIWAHJP-NUJGCVRESA-N 348.462 2.623 0 50 EFAA Cc1ccc(CNC(=O)CCN2CC(Oc3ccccc3F)C2)cc1 252479628 BIXFXTBVPHQAAR-UHFFFAOYSA-N 342.414 2.904 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(Oc2ccccc2)c(F)c1 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CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(Br)cs2)C1 194113418 GWLYRCVVHRXJPS-GXSJLCMTSA-N 346.294 2.965 0 50 EFAA COc1c(C)cc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cc1C 194791674 YOMZTVTVFRBAHC-UHFFFAOYSA-N 339.417 2.793 0 50 EFAA COc1ccc(-c2nccc(N3CCC(O)(C(F)F)CC3)n2)cc1 663820756 ADFAWIDQMJYGTK-UHFFFAOYSA-N 335.354 2.749 0 50 EFAA CCCNC(=O)Nc1ccc(CC(=O)N2CCc3ncccc32)cc1 771065460 RERGONUILMYCKA-UHFFFAOYSA-N 338.411 2.745 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(CCCC(=O)c1ccccc1)C2 222203740 ATJCMSYOXPOKTO-MSOLQXFVSA-N 328.456 2.982 0 50 EFAA CCc1ccc(OCCN(CC)C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)cc1 1704334446 IWULQLXOUNWAEN-NZSAHSFTSA-N 349.471 2.652 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2=O)c1 13858096 XOJAIZSRWNRGCE-ZNMIVQPWSA-N 330.428 2.553 0 50 EFAA O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1 19316223 LUEPPXUOEIRTKP-JTQLQIEISA-N 343.663 2.506 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(O)cc3C)C[C@H]12 1857723605 NEXVVKJSXFRAKJ-ZUXXIDCJSA-N 343.423 2.774 0 50 EFAA O=C(NC1CCC(F)(F)CC1)N1CCN(c2ccccc2O)CC1 408019096 CYJZNMZAMCYGPT-UHFFFAOYSA-N 339.386 2.802 0 50 EFAA CNc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccn1 225557635 REFQJPXFJRVTDQ-UHFFFAOYSA-N 348.397 2.606 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1cscc1C)CC2 239619600 BFQHSPGQNZNKMP-LSDHHAIUSA-N 338.473 2.518 0 50 EFAA Cc1noc([C@H](NC(=O)N2CCN(C)c3ccccc3C2)C(C)C)n1 240407359 FLQDRAYFTAIAGU-MRXNPFEDSA-N 343.431 2.737 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)N[C@H]1COc2ccccc2C1 151897663 DUORUVDNAFVLTD-LLVKDONJSA-N 340.305 2.571 0 50 EFAA Cc1nc(C2CCN(C(=O)[C@H](C)c3c(F)cccc3F)CC2)n[nH]1 362076636 HNUUATQKJGHUML-SNVBAGLBSA-N 334.370 2.901 0 50 EFAA C[C@@H](CNC(=O)c1cc(Br)ccc1F)Cn1ccnc1 153620712 KAFQIYSPEOIXNC-JTQLQIEISA-N 340.196 2.851 0 50 EFAA COc1cc(OC)cc(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)c1 261896441 GBRFMHHVCJVCBC-GOSISDBHSA-N 344.386 2.630 0 50 EFAA Cc1nc2n(n1)C[C@H](c1nc(C(F)(F)c3ccc(F)cc3)no1)CC2 809362495 AUJPVYMSWWKWHC-SNVBAGLBSA-N 349.316 2.979 0 50 EFAA Cc1cccn2cc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(O)nc3)cc12 827470743 NLWUGXSRTQNTOI-QAPCUYQASA-N 337.379 2.608 0 50 EFAA C[C@@H]1CN(CCNC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 930623316 PNCMDCHZNMXPME-OAHLLOKOSA-N 340.427 2.591 0 50 EFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCC[C@@H](Cn2cncn2)C1 933238699 IDAPTMXPWGFGCT-QGZVFWFLSA-N 349.438 2.749 0 50 EFAA CC(C)OCCCC(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1 864094117 GBWPUAFOKCUGDL-QFIPXVFZSA-N 326.462 2.941 0 50 EFAA COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2nonc2C)c1 873283067 NOEDTJOBWXOCLI-ZBEGNZNMSA-N 330.388 2.679 0 50 EFAA CCCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 952883707 OUOKIEYMUVWPPD-IBGZPJMESA-N 332.444 2.539 0 50 EFAA CCc1cc(NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)nc(C)n1 952848887 AMBSVSUSUIULOQ-GZBFAFLISA-N 343.431 2.574 0 50 EFAA O=S(=O)(Cc1ccc2nonc2c1)N(Cc1cccs1)C1CC1 1875288574 NCFXFTGQIMDGRU-UHFFFAOYSA-N 349.437 2.779 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](Cc2nnc(CCc3cccc(F)c3F)o2)C1 888099113 SUEQEBRPXQLNIA-OCCSQVGLSA-N 349.381 2.980 0 50 EFAA O=S(=O)([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(c2ccccc2CO)CC1 1775994114 URJJTJXZKMNAIH-BWTSREIZSA-N 349.496 2.877 0 50 EFAA Cc1cccc(CCN2CCN(c3nncc4ccccc34)CC2)n1 2325754657 HOWBPEHFRKKQQC-UHFFFAOYSA-N 333.439 2.698 0 50 EFAA Cc1cc(C)nc(N2CCC(C(=O)OCCOCC3CCC3)CC2)n1 2325774777 RPONHLBMFICBOQ-UHFFFAOYSA-N 347.459 2.670 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cc(-c3ccccc3)on2)C2(CCC2)CO1 2325783741 YRLUIKOEBQZNBG-INIZCTEOSA-N 328.368 2.550 0 50 EFAA COC(=O)[C@@H]1CCC[C@H](CNC(=O)c2cc3c(C)ccc(C)c3[nH]2)O1 2325810771 DAXGBVOTQOJKOB-CJNGLKHVSA-N 344.411 2.625 0 50 EFAA CCOC(=O)C1(CNC(=O)[C@H]2Cc3c(F)cc(C)cc3N2)CCCC1 2325863767 VYXHDRDEMHGDDK-MRXNPFEDSA-N 348.418 2.710 0 50 EFAA Cc1cc(-c2cc3c(cc2F)OCCNC3=O)cc2cn(C)nc12 2325867412 VKDJKBQNWGYJMZ-UHFFFAOYSA-N 325.343 2.810 0 50 EFAA COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](CC(N)=O)C1CCCCC1 859828602 CGXCLYLPQNOKTB-MSOLQXFVSA-N 344.455 2.666 0 50 EFAA CCC(O)(CC)C(C)(C)CNC(=O)[C@@H](C)N1CSCCSC1 1453228122 QFWLWFLUNCKOSB-CYBMUJFWSA-N 348.578 2.765 0 50 EFAA CCCc1occc1C(=O)N[C@@H]1CCN(C(=O)c2cccs2)C1 941667440 ORQWBZIWFCDJOA-GFCCVEGCSA-N 332.425 2.938 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 143075 BJQIGPJHTWARON-UHFFFAOYSA-N 332.381 2.648 0 50 EFAA O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 302712 IDFOFXFCPZECRD-HNNXBMFYSA-N 335.285 2.583 0 50 EFAA COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 248139707 BJIMOEOHTVLXMA-XDTLVQLUSA-N 340.217 2.620 0 50 EFAA Cc1ccc(CNCCSc2nnnn2-c2ccccc2)s1 4488585 SGSZWADBSFDKBZ-UHFFFAOYSA-N 331.470 2.914 0 50 EFAA COc1ccccc1NC(=O)c1nnn(-c2ccccc2F)c1C 4938462 XQDNCIDUAYKGNS-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)C1 4956529 VBZMWEGRHUMYSG-UHFFFAOYSA-N 346.364 2.838 0 50 EFAA O=S(=O)(c1ccc(N2CCC[C@@H]2c2ccn[nH]2)cc1)C(F)F 225649416 YCDBUEPQERVKLS-CYBMUJFWSA-N 327.356 2.748 0 50 EFAA Cc1nc(CC(=O)NCCCc2nc3ccccc3n2C)cs1 118660150 UPANSCKYRKXTTA-UHFFFAOYSA-N 328.441 2.630 0 50 EFAA COC1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)CCC1 344121874 SLSNTHXYIZRRDQ-NSHDSACASA-N 345.365 2.714 0 50 EFAA CCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 22464643 NDDDQTFAJGTKCQ-UHFFFAOYSA-N 338.407 2.974 0 50 EFAA COc1ccc(CN2CCCC2)cc1Oc1cncc(N(C)C)n1 67771074 DCEXMTPRSSNIAM-UHFFFAOYSA-N 328.416 2.939 0 50 EFAA Cc1nccn1CCC1CCN(CCC(=O)Nc2cccnc2)CC1 65398201 LGYPYRHNXGXVGI-UHFFFAOYSA-N 341.459 2.717 0 50 EFAA Cn1ccnc1-c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nn1 67773602 GYOOPJSRFZTYLM-QGZVFWFLSA-N 348.454 2.954 0 50 EFAA CCCOc1cc(CN2CCCN(C(=O)C3CC3)CC2)ccc1OC 119104970 UXGRJKRPDOVGJD-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA COc1ccc(-n2nnnc2SCc2nc3ccccc3[nH]2)cc1 33670 CBRMLCPNCZFVIQ-UHFFFAOYSA-N 338.396 2.840 0 50 EFAA O=C1C[C@H](c2cccc(Cl)c2)c2c(n3ccsc3nc2=O)N1 1432373 YOWBNRUMUZXUFA-SNVBAGLBSA-N 331.784 2.884 0 50 EFAA Cc1cccc(Cn2cnc(NS(=O)(=O)c3ccc(F)cc3)n2)c1 2781330 NKEWHWUTPUPPCL-UHFFFAOYSA-N 346.387 2.575 0 50 EFAA COc1cc(C(F)(F)F)ncc1NC(=O)NCc1ncoc1C 252487942 IFHULUICEYUNBO-UHFFFAOYSA-N 330.266 2.727 0 50 EFAA C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccnc1)N1CCc2ccccc2C1 252517714 PJYJAYMHYSFPJS-XPGWFJOJSA-N 335.451 2.748 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H]1c2ccccc2C[C@@H]1O 120410200 CUCSLMHQYBXZOI-GXTWGEPZSA-N 337.301 2.880 0 50 EFAA C[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)N(C)C 356243448 BYGFKCANHSKXBA-VLIAUNLRSA-N 336.439 2.913 0 50 EFAA Cc1cc2nc(-c3ccccc3)cc(NC[C@](C)(O)CCCO)n2n1 72423532 LIRZAEXWQKTZHS-LJQANCHMSA-N 340.427 2.640 0 50 EFAA COc1ccc2c(c1)OCCN(C(=O)C[C@@H](O)c1ccccc1)C2 374755138 ZSPKZAYLRLKTSL-QGZVFWFLSA-N 327.380 2.540 0 50 EFAA O=C(c1ccc(Br)o1)N1CCC[C@H]2CNCCC[C@@H]21 366446715 KFCBDECLDFPYBJ-QWRGUYRKSA-N 327.222 2.646 0 50 EFAA CN1C(=O)CCc2cc(CN3C[C@@H](CO)Cc4ccccc43)ccc21 366440839 OXYMOMVRMKRYAX-INIZCTEOSA-N 336.435 2.767 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1nn(C)c2cccc(Cl)c12 215236565 ZEUOPGNRVFRIRV-UHFFFAOYSA-N 349.822 2.778 0 50 EFAA Cc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1F 13320510 WCZBRNREIVYPTI-UHFFFAOYSA-N 331.347 2.717 0 50 EFAA O=C(c1ccc(N2CCCC2)nc1)N1CC[C@@H](O)c2ccccc2C1 378520924 MGKGXMLSNQXMNX-GOSISDBHSA-N 337.423 2.761 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1nc(-c2ccncc2)cs1 332914950 VJMVSLOIRPRFSP-XTQGRXLLSA-N 329.425 2.809 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Br)cc(Cl)c1O 128171754 NQFPOOYABZMBRN-GHMZBOCLSA-N 348.624 2.841 0 50 EFAA Cc1cc(Cl)cc(NC(=O)CCCNC(=O)c2cccnc2)c1O 158596043 VCWDOIJSRVBIRA-UHFFFAOYSA-N 347.802 2.898 0 50 EFAA Cc1cnc(C)c(N2CCN(Cc3ccc4ncccc4c3)CC2)n1 215794300 UKFIPPPAWGOZEW-UHFFFAOYSA-N 333.439 2.964 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CC[C@H](N)C[C@H]3C)s2)cc1 237486622 KVOSWRMRLZMLNY-YPMHNXCESA-N 331.441 2.771 0 50 EFAA O=C(Cn1cc(Cl)cn1)N1CCC(OCc2ccccc2)CC1 77319383 BQDHDPCAQNHFJK-UHFFFAOYSA-N 333.819 2.744 0 50 EFAA Cc1nc(N2CCC[C@H]2C(N)=O)c2c3c(sc2n1)C[C@@H](C)CC3 239338800 LGOLDDDZLBZCIA-CABZTGNLSA-N 330.457 2.579 0 50 EFAA COCc1ncsc1C(=O)N1C[C@H](C)Oc2ccc(OC)cc21 284288356 INZUHTQJQSFMSM-JTQLQIEISA-N 334.397 2.726 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1ccncc1 175315233 FICDAISFVBNUMQ-GDBMZVCRSA-N 343.431 2.888 0 50 EFAA Nc1nc(C2CCCC2)ncc1C(=O)N1CCOC2(CCCCC2)C1 288811644 NTDMVVRSEWPPCY-UHFFFAOYSA-N 344.459 2.892 0 50 EFAA CCCC(CCC)C(=O)N1CCC(n2cc(CN(C)C)nn2)CC1 48090844 VHELQLGRTYKHMC-UHFFFAOYSA-N 335.496 2.720 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2cccc(C)c2)n1 82230443 UYNJRPFXVBFTKT-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA Cc1cnc(C)c(-c2ccc(C(=O)N(C)Cc3nnc(C)o3)cc2)n1 426584664 IVPJVSISFUPPAD-UHFFFAOYSA-N 337.383 2.724 0 50 EFAA O=C(c1cccs1)[C@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 97346706 CVSXDOMIRCBKRB-AWEZNQCLSA-N 331.441 2.915 0 50 EFAA CCC[C@]1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2F)C1 91636798 KOQADCIAWXTQMR-KRWDZBQOSA-N 327.371 2.988 0 50 EFAA O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN2CCC[C@H]2C1 244719076 LWKKRPYQDANVNY-NSHDSACASA-N 338.333 2.502 0 50 EFAA CC(=O)c1cc(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)cs1 244794749 QSVPUEMCKDTVRS-IYOUNJFTSA-N 344.436 2.517 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)NCc2ccc(OC(F)F)c(F)c2)C1 297445534 JKOHDSZAAXHJBV-LBPRGKRZSA-N 345.365 2.663 0 50 EFAA O=C1N(CN2CCCCC2)c2ccccc2[C@]12O[C@H]1CCCC[C@H]1O2 252431036 ZEWKAUOVAMQTRW-RUYXUALKSA-N 342.439 2.987 0 50 EFAA Cc1cc(CN(C)[C@H]2CCO[C@@H]2c2cccnc2)ccc1-n1cncn1 299745368 YKPPAWJETQWGEJ-VQTJNVASSA-N 349.438 2.933 0 50 EFAA O=C(NCCN1CCCc2ccccc21)c1nnc(O)c2ccccc12 618110428 YSRDSYQNCORQOR-UHFFFAOYSA-N 348.406 2.518 0 50 EFAA Cc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)cc1 263618864 VVXQZSBCJTWZRW-LJQANCHMSA-N 332.407 2.890 0 50 EFAA C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(C(F)(F)F)n[nH]1 1433788596 ONDHRTGWXAZZRD-QMMMGPOBSA-N 343.280 2.959 0 50 EFAA COc1ccc(Cc2nc(C3(C)COC3)n(CC(F)(F)F)n2)cc1 952872586 PMXHMUADNCVNJW-UHFFFAOYSA-N 341.333 2.728 0 50 EFAA Nc1ccc2c(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)ncnc2n1 301750352 ALKKQBJJVYJJDX-CQSZACIVSA-N 349.394 2.720 0 50 EFAA CCO[C@@H]1C[C@H](NC2CCN(Cc3ccccc3)CC2)[C@]12CCCO2 272632496 BCFYUXNLVWBTEX-PWRODBHTSA-N 344.499 2.967 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cnn(CC(C)C)c1 275349638 TVOAPFBVIIVYAY-WMZOPIPTSA-N 331.464 2.509 0 50 EFAA CCS(=O)(=O)c1ccccc1NC[C@H]1COC2(CCCC2)O1 276273004 HFKSUMIPRNAZES-ZDUSSCGKSA-N 325.430 2.578 0 50 EFAA O=C(O)c1cccc(/C=C/c2nc3cnccc3c(=O)[nH]2)c1Cl 170088129 RPUDUJFXSLOQPW-SNAWJCMRSA-N 327.727 2.840 0 50 EFAA Cn1cc([C@H]2CSCCN2Cc2noc(-c3ccsc3)n2)cn1 170612059 BMQHLVSTOBPJER-CYBMUJFWSA-N 347.469 2.822 0 50 EFAA COc1cccc(C2(NC(=O)Nc3nnc(OC)s3)CCC2)c1 666846691 YRFIVKLOKSMAKY-UHFFFAOYSA-N 334.401 2.756 0 50 EFAA CN(C)c1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 194938769 MWNHRLKLGCUYNQ-UHFFFAOYSA-N 343.402 2.981 0 50 EFAA Cc1noc2ncnc(Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)c12 195508130 IFRZTVCMURJENF-CYBMUJFWSA-N 339.355 2.787 0 50 EFAA CC[C@H](NC(=O)NCc1cnn(CC(F)(F)F)c1)[C@H]1CCCCO1 654493028 FZZGLMFVIDHCNM-QWHCGFSZSA-N 348.369 2.592 0 50 EFAA COc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)cc1Br 117986 SMBAZSBHQOZMAC-HOSRBBHYSA-N 340.217 2.766 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 1529151163 GUNRUNXYRGJNIG-QGZVFWFLSA-N 349.434 2.566 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1)N1CCC(c2ccnc(O)c2)CC1 1772817428 PAEPIORAJQRDCR-HNNXBMFYSA-N 339.439 2.672 0 50 EFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1F 5399330 LURRHSVQNTURBX-UHFFFAOYSA-N 341.317 2.827 0 50 EFAA O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1C[C@@H]2C=C[C@H]1C2 11910351 WQPHWFOAFSZYFB-KKBFJZEXSA-N 347.418 2.776 0 50 EFAA O=C(CCc1ccccn1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12320775 YLXWTTHLJSYMPF-HXUWFJFHSA-N 349.478 2.762 0 50 EFAA C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12417730 XCXAPZCDJCETGS-OKILXGFUSA-N 336.457 2.765 0 50 EFAA COc1ccc(F)c(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1 12457894 PMQJDRASMUTGSB-MRXNPFEDSA-N 330.407 2.858 0 50 EFAA Cc1cc2cccc(C(=O)N3CC[C@@]4(CCCN(C)C4=O)C3)c2o1 14957177 ZNRWCYOPFPZMFB-IBGZPJMESA-N 326.396 2.826 0 50 EFAA Cn1c(=O)n(C)c2cc(CNc3cc(C(=O)O)ccc3Cl)ccc21 16577223 YRCPZUNLDGNAPS-UHFFFAOYSA-N 345.786 2.841 0 50 EFAA CCOCCn1nc(C2CCCC2)nc1-c1cccc2nn[nH]c12 1857680554 KTSFCLSFXDLMEM-UHFFFAOYSA-N 326.404 2.911 0 50 EFAA CN(C)c1ccc(-c2cccc(NC(=O)CN3CCCC3=O)c2)cc1 225551384 DCRVOGYCMXDAMY-UHFFFAOYSA-N 337.423 2.981 0 50 EFAA CN1C[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)[C@@H]2C1 425056784 KYBWWQHEAPNSID-YVEFUNNKSA-N 331.847 2.916 0 50 EFAA Cc1cccc(C(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)n1 435568932 VWVGMOKSSXNOID-HNNXBMFYSA-N 342.468 2.631 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1OCc1nnc([C@H]2CCCOC2)o1 643645455 OSBBXHQDLYPRGI-AWEZNQCLSA-N 345.399 2.553 0 50 EFAA O=C(O)[C@H]1CCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 238102617 VSFILAPSZHGQDQ-LLVKDONJSA-N 341.289 2.804 0 50 EFAA Cc1cc(O)nc([C@H](C)N2CCO[C@@H](c3ccc(F)cc3F)C2)n1 248733642 KFRCWNTWWAKKOK-XHDPSFHLSA-N 335.354 2.903 0 50 EFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907964347 CQVRIKOBCZMOJT-NZBPQXDJSA-N 333.432 2.782 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F 822911723 YNLVFLRFLKKTTC-CYBMUJFWSA-N 348.349 2.921 0 50 EFAA C[C@@H](NC(=O)c1cc(C(F)F)ncn1)c1nc2ccccc2n1C 929083671 RMATUOBCAKKQAE-SECBINFHSA-N 331.326 2.792 0 50 EFAA Cn1cc(-c2ccc(NC(=O)N[C@@H](c3ccncc3)C3CC3)nn2)cn1 931146806 KMQCJRORZAAWJL-QGZVFWFLSA-N 349.398 2.545 0 50 EFAA O=C(COc1ccc(F)c(F)c1)N[C@H]1CCc2cc(O)ccc2C1 935672183 QAQLUPSMGXAHAU-ZDUSSCGKSA-N 333.334 2.723 0 50 EFAA CN(C(=O)Nc1ccccc1CN1CCSCC1)C1(CO)CCC1 864096769 GQBZZOQSMZIWLE-UHFFFAOYSA-N 349.500 2.614 0 50 EFAA C[C@H](C(=O)O)C(=O)N[C@H]1C[C@H](c2cccc(Br)c2)C1 1875286225 KWSKZJCVTMSTJY-PEXQALLHSA-N 326.190 2.532 0 50 EFAA Cc1ccncc1/C=C/c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 888076148 BCKRXUJGBPVYPW-PKOQZONYSA-N 337.383 2.918 0 50 EFAA C[C@@H]1CCc2nc(NC(=O)N3CCOCC(F)(F)C3)sc2C1 888102460 GRZMXTHRTJHJPA-SECBINFHSA-N 331.388 2.767 0 50 EFAA CCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3C)CC2)on1 890992648 ICFYWWJONDEIQL-UHFFFAOYSA-N 349.818 2.998 0 50 EFAA O=C(NCC1CCC(F)CC1)N[C@H]1c2ccccc2OC[C@H]1CO 895519961 KXPZVZHBVOQGPT-NHMAURGWSA-N 336.407 2.556 0 50 EFAA Cc1nc([C@@H]2CC[C@H](CNC(=O)c3ccc(F)cc3Cl)O2)n[nH]1 1775957654 GJBABWIYZBYNQM-MFKMUULPSA-N 338.770 2.556 0 50 EFAA Cc1cc(C)n2c(CNC[C@@H]3CCc4cc(F)ccc4O3)cnc2n1 2325777843 JUYLGECKCWYECY-KRWDZBQOSA-N 340.402 2.969 0 50 EFAA Cc1ccn2c(C(=O)N3CCCN[C@@H](c4ccccc4)C3)cnc2c1 2325783298 LYYOJXBACUYYSF-QGZVFWFLSA-N 334.423 2.820 0 50 EFAA C[C@@H](NC(=O)c1ccnc(NC2CCCC2)c1)[C@@H](N)c1ccco1 2325789477 RVYLUYDCLPHGCS-SJKOYZFVSA-N 328.416 2.847 0 50 EFAA CC1(C)OC(=O)c2c1ccnc2N1CC[C@@](N)(c2cccc(F)c2)C1 2325796519 WEWGMZVZIPSNMV-IBGZPJMESA-N 341.386 2.691 0 50 EFAA CSCCc1nc([C@H]2C[C@@](F)(CO)C2)n(-c2ccc(F)cc2)n1 2325849215 IVFCIDAYIPGMCK-SXUIPJSXSA-N 339.411 2.890 0 50 EFAA Cc1nc([C@H](C)N)sc1C(=O)NCc1ccn(-c2ccccc2)n1 2325857028 MLJOZWBEOHZQHA-NSHDSACASA-N 341.440 2.587 0 50 EFAA O=C(N[C@H](CO)c1ccccc1)N[C@H]1CCO[C@@H]1c1ccccc1 110657566 LRJHUBMYPPQCDF-RCCFBDPRSA-N 326.396 2.549 0 50 EFAA CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC(=O)c2cnnn2C)cc1 240333431 FDFLZIFGGIGKAX-HOTGVXAUSA-N 328.416 2.668 0 50 EFAA COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 187774 JRZJFINUEMXOPS-PBHICJAKSA-N 338.363 2.570 0 50 EFAA biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2snnc2c1 270120 SSQVAZSAVRWJSV-UHFFFAOYSA-N 340.408 2.780 0 50 EFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2F)c1 457006 SUEFQVXGDHHMDX-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA O=C(NC(=S)NCc1ccccc1)c1ccc(Br)o1 469068 VFEPBYUGTXXJBC-UHFFFAOYSA-N 339.214 2.847 0 50 EFAA Cc1ccc(OCC(=O)NCc2cccnc2)c(Br)c1 577757 GSDIRCBFIPZUEG-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3ccncc3)C1)CC2 2356152970 KIKVZQIWOVLEMH-HXUWFJFHSA-N 336.439 2.619 0 50 EFAA c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2432577 IFRYKBXNKQBFIE-UHFFFAOYSA-N 333.380 2.646 0 50 EFAA CCOC(=O)CNC(=O)CCCOc1ccc(Cl)cc1Cl 2859989 NUZMSRASXBKYHX-UHFFFAOYSA-N 334.199 2.832 0 50 EFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Cl)CC(=O)N1 4520729 UBSJLIVECGMYLU-OCCSQVGLSA-N 349.814 2.940 0 50 EFAA CC(C)CN(Cc1ccsc1)C(=O)C1CCS(=O)(=O)CC1 55368683 JLUQRWZUNJJZPE-UHFFFAOYSA-N 329.487 2.558 0 50 EFAA CC(C)OC(=O)c1cc(NC(=O)c2ccc(O)nn2)ccc1Cl 55284943 YIYPKNIZQHMKSO-UHFFFAOYSA-N 335.747 2.653 0 50 EFAA O=C(NCc1ccc(Cl)nc1)[C@H]1CCCN(Cc2ccco2)C1 55383935 AZULIQLQMYZCNJ-AWEZNQCLSA-N 333.819 2.856 0 50 EFAA CN(C)C(=O)c1ccc(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nn1 413257346 DVKBBJSCCBFKPL-LLVKDONJSA-N 330.354 2.593 0 50 EFAA Cc1ccccc1-c1cnc(NC(=O)[C@H]2CCc3[nH]nnc3C2)s1 225477366 JRKULFJDGQVYAU-NSHDSACASA-N 339.424 2.980 0 50 EFAA CC[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccccc2)CC1 51449964 BGYFAFZTJIWMIJ-HNNXBMFYSA-N 330.457 2.682 0 50 EFAA Cc1nc2c(N(Cc3ccccn3)C[C@@H]3CCCO3)ncnc2o1 55284540 JMRIRKQPXSCJFZ-AWEZNQCLSA-N 325.372 2.507 0 50 EFAA NC(=O)CCn1cc(CNCCCc2ccncc2)c2ccccc21 55133361 VPNIPGWVBPECAO-UHFFFAOYSA-N 336.439 2.634 0 50 EFAA Cc1c(CN2C[C@@H](N)C[C@H]2C(=O)NC(C)C)[nH]c2c(Cl)cccc12 67910449 XYKDVHQBFVSXNP-LRDDRELGSA-N 348.878 2.556 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc2O1 248087856 BRUSUZJWGWSFAD-FMKPAKJESA-N 332.469 2.625 0 50 EFAA Cc1cc(C(=O)N(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 65364109 YFBWRLFYEZYVIC-UHFFFAOYSA-N 332.425 2.522 0 50 EFAA CCCO[C@H]1CCCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)C1 72411875 HSAOEWDVSVUWCC-AWEZNQCLSA-N 342.399 2.632 0 50 EFAA O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1nc(C2CC2)cs1 125251706 ZZWDWGVWXYKPFP-LBPRGKRZSA-N 327.409 2.763 0 50 EFAA CCCOc1ccc(/C=C/C(=O)N2C[C@H](C)N[C@H](C)C2)cc1OC 153894556 ZZWZJRXILXWXQW-LUVVUQNESA-N 332.444 2.706 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)n1 281238473 NIOUHTLOZXPROP-HNNXBMFYSA-N 338.411 2.704 0 50 EFAA NC(=O)c1ccnc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1 72151412 IRDKYGWQJPPALC-UHFFFAOYSA-N 344.378 2.731 0 50 EFAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(Cl)c(Cl)[nH]1 370803967 SHXHZRJGXWNPEF-LBPRGKRZSA-N 338.194 2.546 0 50 EFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 128095349 RROKVICVZFDCOM-CYBMUJFWSA-N 334.489 2.729 0 50 EFAA Cc1nc(CN2CCC[C@@H](N(C)Cc3cccc4[nH]ccc34)C2)no1 371377789 FDMSYLAFEXFTOG-MRXNPFEDSA-N 339.443 2.956 0 50 EFAA C[C@H]1CN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H](C)O1 240551451 GTVHWZNYVFAWQE-BASYENTBSA-N 347.459 2.989 0 50 EFAA CN1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 218935218 LMDLZGZCYAQIKR-GOSISDBHSA-N 333.451 2.517 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1 238048710 MIVAOJVXTKCCOK-YJEWXARHSA-N 344.194 2.709 0 50 EFAA NC(=O)N1CCCN(c2nccc3cc(C(F)(F)F)ccc23)CC1 450301776 GHTCBFSWFPZAPT-UHFFFAOYSA-N 338.333 2.844 0 50 EFAA O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)o1 262748443 JDDCBMDXSIOLDZ-WBMJQRKESA-N 347.342 2.695 0 50 EFAA COC(=O)c1cnc(N(C(=O)Cc2ccccc2C)C2CC2)s1 172680199 AAORVAZWYIIQKV-UHFFFAOYSA-N 330.409 2.976 0 50 EFAA CCn1cc(C2CCN(C(=O)c3ccc(C(=O)O)s3)CC2)cn1 262800050 OFAMEFVDVYFACX-UHFFFAOYSA-N 333.413 2.683 0 50 EFAA CC(C)c1cccc(C(=O)NC2CCN(Cc3cccnc3)CC2)n1 378154686 ZJICSWFQLDJIKZ-UHFFFAOYSA-N 338.455 2.994 0 50 EFAA C[C@H](c1ccc(C(=O)NCc2ccc(O)nn2)cc1)C(F)(F)F 456036431 SLXUWPDQUSRBNT-SECBINFHSA-N 325.290 2.778 0 50 EFAA COc1cccc([C@H](O)C(=O)N2CCC(Cc3ccccn3)CC2)c1 378321069 ZMKMKYZKTVPUMP-IBGZPJMESA-N 340.423 2.605 0 50 EFAA 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2.708 0 50 EFAA CN(CCSc1ccccc1)C(=O)NCc1noc(C2CC2)n1 534585426 KEYARDHUDKIVRE-UHFFFAOYSA-N 332.429 2.881 0 50 EFAA Cc1ccc(N2C[C@H](Cc3ccccc3)N(CCCO)CC2=O)cc1 91964844 HGBLLTYEOFHTSA-FQEVSTJZSA-N 338.451 2.637 0 50 EFAA C[C@@H](NC(=O)CCc1nc(Cl)n[nH]1)c1nc2c(s1)CCCC2 299781013 UEZDEYWZORZDAV-MRVPVSSYSA-N 339.852 2.603 0 50 EFAA COCCn1cncc1CNC(=O)[C@@]1(c2cccs2)CC1(C)C 299770261 QSZUCTCDUMONEP-KRWDZBQOSA-N 333.457 2.575 0 50 EFAA COCc1nc(CC2CC(C)(C)NC(C)(C)C2)n(-c2ccncc2)n1 824490851 VRIBBDOGOICHBA-UHFFFAOYSA-N 343.475 2.908 0 50 EFAA C[C@@H](CCC(=O)N1CCC2(CCCCCC2)C1)N1CCN(C)CC1 584885850 SPFDBBOJELBAKE-SFHVURJKSA-N 335.536 2.975 0 50 EFAA COC[C@H]1[C@@H](NC(=O)Cc2cccc3ccccc23)[C@H]2CCO[C@H]21 1074612533 ZIMXPWKSIDZHPS-LCLWPZTBSA-N 325.408 2.548 0 50 EFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 952971979 YUODNWBOIQNFGV-CQSZACIVSA-N 327.446 2.583 0 50 EFAA C[C@H](CCC(=O)Nc1ccc2scnc2c1)N1CCN(C)CC1 952977408 JXLKLEVKNFQYQD-CYBMUJFWSA-N 332.473 2.651 0 50 EFAA 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CC(C)Cn1cccc(C(=O)Nc2cn(C)nc2-c2ccco2)c1=O 827245913 RCQSYWUYXSAJFS-UHFFFAOYSA-N 340.383 2.750 0 50 EFAA COc1ccc([C@@H]2CCCN2Cc2n[nH]c3c2COCC3)cc1F 930997244 JFMQPDABRLRXGG-KRWDZBQOSA-N 331.391 2.967 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1 934760855 LDWCLMKLXQQFES-AZUAARDMSA-N 325.408 2.851 0 50 EFAA O=C(c1cc(C(F)F)ncn1)N1CC[C@@]2(C1)OCc1ccccc12 935441684 YZELNXGRLIQYQN-KRWDZBQOSA-N 331.322 2.686 0 50 EFAA CCc1nc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)c(C)o1 870619961 DPHPTEPMVYYEGU-UHFFFAOYSA-N 344.415 2.611 0 50 EFAA Cc1ccccc1-c1nc(CNS(=O)(=O)[C@@H]2C[C@H]3CCC[C@@H]32)no1 1875290687 WZQYBLXMBNDQHO-VHDGCEQUSA-N 347.440 2.653 0 50 EFAA Cc1[nH]nc(-c2nc([C@H](C)CNC(=O)c3ccccc3)no2)c1Cl 1875298867 QBZYBBBYJXVILG-SECBINFHSA-N 345.790 2.955 0 50 EFAA CCOC(=O)c1c2c(nn1C)CCN(Cc1c[nH]c3ccccc13)C2 1875305422 DFDHMNKAMMSLAF-UHFFFAOYSA-N 338.411 2.636 0 50 EFAA Cc1nnc([C@H]2CCCN(C(=O)CCOc3ccccc3)[C@H]2C)o1 886084793 HJBHZXVPRSYUPQ-BBRMVZONSA-N 329.400 2.942 0 50 EFAA CN(Cc1ccc(Cl)cn1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 886052262 MDJUEHLXSVLRMD-HOCLYGCPSA-N 349.841 2.569 0 50 EFAA CC(C)(C)n1cc(CNc2ncc(F)cc2Br)nn1 871001488 CBSRAIGFXSJQIX-UHFFFAOYSA-N 328.189 2.942 0 50 EFAA CC[C@H](NC(=O)[C@H](O)c1ccc(Cl)cc1F)C(=O)OC(C)(C)C 844092216 QACSDHRCPNJCQO-QWHCGFSZSA-N 345.798 2.749 0 50 EFAA C[C@@]1(C(F)(F)F)CCN(S(=O)(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCO1 2325782872 LIHULRFNDHLBEY-LOWDOPEQSA-N 341.395 2.548 0 50 EFAA CC(C)(C(=O)O)[C@H]1CCCCN1C(=O)c1cccc2c1OCCCO2 2325806724 CKWDDVNALBPGPW-OAHLLOKOSA-N 347.411 2.953 0 50 EFAA CC(C)n1ncc(Cl)c1C(=O)N1C[C@H](C(=O)O)CC12CCCC2 2325808951 DGDYKYFFJOJQMV-LLVKDONJSA-N 339.823 2.977 0 50 EFAA C[C@H](NC(=O)c1cccc(C(=O)c2ccccc2)c1)[C@H](C)n1cncn1 2325865073 LTFNABMTERWCDG-GJZGRUSLSA-N 348.406 2.889 0 50 EFAA O=C1Cc2cc(-c3csc([C@@H]4CN5CCC[C@H]5CO4)n3)ccc2N1 2332237287 RDOKCFXJDNETDL-BBRMVZONSA-N 341.436 2.840 0 50 EFAA CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1OCC[C@@H]1C(=O)O 2332239256 BGULIBZMOZEQNR-IRXDYDNUSA-N 347.455 2.984 0 50 EFAA CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 246283 PJAZEADZNVJRAL-UHFFFAOYSA-N 326.201 2.722 0 50 EFAA Cc1cc(NC(=O)c2ccc(I)cc2)no1 463409 XWHIGJZDAPDDIN-UHFFFAOYSA-N 328.109 2.840 0 50 EFAA CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 905136 INXGXRHJNGKMCX-UHFFFAOYSA-N 331.445 2.511 0 50 EFAA c1ccc2c(c1)OC[C@H](c1nn3c(-c4ccncc4)nnc3s1)O2 1016525 QLYUFJLNZQEYNP-CYBMUJFWSA-N 337.364 2.760 0 50 EFAA O=C(NCCNC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 4487363 KAJFOVFUPLKKBS-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA Cc1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1Cl 4973367 QRAKPHQRIDVKJJ-ZDUSSCGKSA-N 343.814 2.713 0 50 EFAA Cc1cc(NS(=O)(=O)c2cn(C)nc2C)ccc1Br 6706628 HQSDMYMCNFJYSP-UHFFFAOYSA-N 344.234 2.600 0 50 EFAA COc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 7382478 HMLNSVCPXYMSAW-MRXNPFEDSA-N 340.423 2.811 0 50 EFAA CC(C)CN1CCN(Cc2ccccc2OC(F)F)C[C@H]1CCO 104524974 NVZJAJCACTYXSE-MRXNPFEDSA-N 342.430 2.813 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225489383 SPIUGZIVUCMKLC-KSSFIOAISA-N 337.354 2.717 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 225559715 YZMLSSVCNRPXRF-WDEREUQCSA-N 341.238 2.834 0 50 EFAA CO[C@H](C)C(=O)Nc1cccc(NC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 246476991 ASNZXCKJZMVRCD-APCWTUGXSA-N 343.427 2.826 0 50 EFAA COc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1 54530047 MXBOGBFVAPFRQH-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA Cc1ccc(CN(C(=O)Cn2cnnn2)[C@H]2CCc3ccccc32)cc1 343706086 IJRFJFVCJZQFIJ-IBGZPJMESA-N 347.422 2.698 0 50 EFAA CCN(CC)CCN(C)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 23360701 WDUWOLJGQZREOM-LJQANCHMSA-N 349.494 2.980 0 50 EFAA O[C@@H]1CN(CCc2ccccc2)CC[C@H]1c1ccc2c(c1)OCO2 67869128 LWIHRNGGJGBAHS-ZWKOTPCHSA-N 325.408 2.808 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)n1 136510727 MEWNKBUTBZXHCW-QGZVFWFLSA-N 341.411 2.628 0 50 EFAA CCOc1c(Cl)cccc1CC(=O)N1CC[C@H](c2nc(C)no2)C1 347409413 JUHMKSWNUUGYCV-ZDUSSCGKSA-N 349.818 2.989 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 249268102 JOFJEAVITDKCOJ-KYJSFNMBSA-N 337.485 2.778 0 50 EFAA C[C@@H]1CC(=O)c2cc(C(=O)NCc3ccccc3Cl)c(=O)[nH]c2C1 71754877 ZDOVAUHVOJOXEZ-JTQLQIEISA-N 344.798 2.723 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 67692183 YXQBUAQTRDBDJA-GOSISDBHSA-N 344.434 2.689 0 50 EFAA COC(=O)c1cc(CN[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c[nH]1 229439557 RQDSYIQTDLKAFI-WMLDXEAASA-N 327.428 2.726 0 50 EFAA CCn1ncnc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65432561 QDJXJQZEMCWVGC-RBUKOAKNSA-N 336.439 2.802 0 50 EFAA CCn1c(-c2nccn2CCSc2cn[nH]n2)nc2ccccc21 71750882 TURSKXVPQSCPQF-UHFFFAOYSA-N 339.428 2.830 0 50 EFAA C[S@](=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1 280787910 ONBTXBCGRHDSMS-GYCJOSAFSA-N 349.500 2.574 0 50 EFAA CCc1nc(CN2CCN(C(=O)Nc3ccncc3C)CC2)cs1 121081293 COOBQIWJEHGDFA-UHFFFAOYSA-N 345.472 2.759 0 50 EFAA CC(C)(C)c1csc(NC(=O)Cn2ncc3ccccc3c2=O)n1 30786001 FKHNNFULUOAEFR-UHFFFAOYSA-N 342.424 2.789 0 50 EFAA O=C(Cc1cn2ccccc2n1)N[C@H]1CCCN(Cc2ccccc2)C1 121533902 ZPNCYDOOJDCRIN-SFHVURJKSA-N 348.450 2.658 0 50 EFAA O=C([C@H]1CCCCO1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 215912314 IBEVAAZHCGTJEB-GOSISDBHSA-N 325.412 2.932 0 50 EFAA COCCC1(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)CCCC1 359996829 RYXUWTBVCPTOGM-IBGZPJMESA-N 335.419 2.843 0 50 EFAA Cc1nn(CCNC(=O)c2ccc(F)cc2)c(C)c1Br 6921008 HYULKQWVUJIEQP-UHFFFAOYSA-N 340.196 2.832 0 50 EFAA CC[C@H]1CN(Cc2coc(C)n2)CCC(=O)N1Cc1ccccc1 71755380 ZBNYMTRTLURLTR-SFHVURJKSA-N 327.428 2.996 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCN(CC(F)(F)F)CC1 187711479 QPAGBKXGPRKHCN-NSHDSACASA-N 345.369 2.566 0 50 EFAA COc1cccc(-c2cc(C(=O)Nc3ccnc(N(C)C)c3)n[nH]2)c1 361080311 PLXDIZYGOHEWNB-UHFFFAOYSA-N 337.383 2.799 0 50 EFAA CC(C)(C)c1cc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)[nH]n1 153235599 WZHXBMBRTWIPSK-AWEZNQCLSA-N 346.475 2.618 0 50 EFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2ncc[nH]2)C1 77338797 RMNHJSGPTMTKTD-MRXNPFEDSA-N 335.411 2.674 0 50 EFAA Cc1nc(-c2ccc(N3CC[C@@H](n4cccn4)C3)nc2)nc(O)c1C 365770372 YXGWMCZZZOXYGB-OAHLLOKOSA-N 336.399 2.509 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CCC[C@](CO)(c2ccccc2)C1 367325644 SIOLETABSCEXEV-NRFANRHFSA-N 349.434 2.658 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2CCC(c3nnc[nH]3)CC2)c(C)o1 218793632 YUDJYZVKLKRFNR-UHFFFAOYSA-N 345.447 2.568 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)N[C@H](C)c1oc2ccccc2c1C 331824661 PZNPXVWARMMQQP-GFCCVEGCSA-N 333.413 2.823 0 50 EFAA O=C(/C=C/c1ccc[nH]1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 376254192 OSIMFKBAJNCEAL-DKFQHHCZSA-N 330.815 2.887 0 50 EFAA Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 239667683 BRHVFCCPUDGYDL-BPLDGKMQSA-N 342.399 2.980 0 50 EFAA CCc1ncc(NC(=O)C2CCN(Cc3csc(C)n3)CC2)cn1 127336133 YLZNLOPQPBMRNC-UHFFFAOYSA-N 345.472 2.655 0 50 EFAA Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c2cccc(Cl)c2n1 215046089 ZKWQXFMHDMVQCF-INIZCTEOSA-N 345.830 2.793 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1CCc2nc[nH]c2[C@@H]1C(=O)O 72434551 OXUAOUCTPYLEHK-CQSZACIVSA-N 344.396 2.619 0 50 EFAA CNc1nc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)cs1 77471378 IYSFMVIYMUYEIK-INIZCTEOSA-N 345.468 2.641 0 50 EFAA COc1cc(Cl)ccc1CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O 285001294 YFJSLZCKQLKOJC-BZUAXINKSA-N 325.836 2.710 0 50 EFAA COc1cc(Cl)ccc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 285001288 YFJSLZCKQLKOJC-ARFHVFGLSA-N 325.836 2.710 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2cnn(-c3ccccn3)c2C)no1 46197952 XEAGALJEMSVWKY-INIZCTEOSA-N 337.383 2.849 0 50 EFAA COCc1cccc(CNC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 284537010 MWCVZVCLWDFXTP-AZUAARDMSA-N 342.487 2.739 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 263336969 NUNGTNDNTAIWSB-QGZVFWFLSA-N 325.364 2.527 0 50 EFAA CC(C)c1nnc(CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1C 339165481 NVAOXVMPENDLKZ-LBPRGKRZSA-N 347.429 2.691 0 50 EFAA Cc1ccc2nc(C(=O)N3CCOc4ccccc4C3)c(F)n2c1 426478937 NDZKYDUUKKVDTR-UHFFFAOYSA-N 325.343 2.817 0 50 EFAA Cc1ccc2c(CC(=O)NCc3nnnn3-c3ccccc3)coc2c1 426465303 TUAKQUJJVQMUGZ-UHFFFAOYSA-N 347.378 2.576 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1CCn1cccn1 82097758 OLZQSYBCSFXHMZ-INIZCTEOSA-N 330.432 2.892 0 50 EFAA NCC[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 426552035 PNMVWIUERIPTDD-OAQYLSRUSA-N 340.467 2.858 0 50 EFAA O=C(CCOc1ccccc1)NCc1nc(Cc2ccccc2)no1 220743715 JRLIKPIAQRGQJT-UHFFFAOYSA-N 337.379 2.746 0 50 EFAA CN1CCC(CC(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1 291440758 GEESXUHCIMZDCJ-UHFFFAOYSA-N 334.435 2.680 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCSCc1ccccc1)CC2 426406337 UFMFOSGCKHRFBP-JENIJYKNSA-N 349.496 2.841 0 50 EFAA O=C(NCCN1CCCc2ccccc21)[C@@H]1COc2ccccc2C1 95509024 VYQRVCBDUZBQKM-SFHVURJKSA-N 336.435 2.807 0 50 EFAA CCc1noc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)n1 426535952 UYCLNFMBBOBVIP-RLFYNMQTSA-N 335.448 2.571 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)COc1ccc(F)cc1F 91965457 AHNRVLKCYDQANB-HNNXBMFYSA-N 337.370 2.771 0 50 EFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC(c2ccncc2)CC1 95352856 BLYPVRKJLQQDSS-UHFFFAOYSA-N 345.406 2.953 0 50 EFAA O=C1CCC2(CCNCC2)CN1CCOCc1ccc(Cl)cc1 91445156 AFUVICBXMVVBMT-UHFFFAOYSA-N 336.863 2.849 0 50 EFAA Cc1ccn2cc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)nc2c1 97679837 QCSRHPZLFZYHOP-HNNXBMFYSA-N 325.416 2.684 0 50 EFAA CCCc1cc(N2CCC(NCc3nc[nH]c3C)CC2)nc(C)n1 96163848 ZTHWSUYNNXXCBK-UHFFFAOYSA-N 328.464 2.528 0 50 EFAA CCCCOc1c(CN2CC[C@]3(CCCNC3=O)C2)cccc1OC 91707898 MCDJDZVBXKVCQG-HXUWFJFHSA-N 346.471 2.976 0 50 EFAA O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(C1CCC1)C1CCC1 293951616 SFHIXNXIQKMGLP-IBGZPJMESA-N 328.456 2.821 0 50 EFAA O=C(COc1cccc(F)c1)N1CCC[C@@H](OCc2cccnc2)C1 91931146 TVTPPTRTDCHTAR-GOSISDBHSA-N 344.386 2.807 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC[C@H](C(=O)O)C1 95512903 HDOWRVQLOVSLKE-AWEZNQCLSA-N 328.412 2.959 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2ccccc2-c2nc(C(C)C)no2)C1 299738925 IPFSEMRLCCAJEN-ZDUSSCGKSA-N 328.416 2.542 0 50 EFAA COCCN1CCC[C@H](CN(C)C(=O)NCc2ccc(C)cc2C)C1 534660282 INUBOJVLTLSBGT-GOSISDBHSA-N 347.503 2.803 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)CCCOCc3ccccc3)C2)n1 299761802 ALDCPJAOFHKDLE-MRXNPFEDSA-N 329.400 2.691 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1ccc2c(c1)CCCO2 952966349 STGYPXXDMBLGHO-UHFFFAOYSA-N 338.407 2.943 0 50 EFAA Cn1ccnc1[C@H](NC(=O)CCC(=O)Nc1cccc(F)c1)C1CC1 952860236 IWZUDACUTZINNZ-QGZVFWFLSA-N 344.390 2.545 0 50 EFAA CC(C)c1noc([C@H](NC(=O)NCc2ccco2)C2CCOCC2)n1 275332460 QPOTXPBOLXBJIJ-CQSZACIVSA-N 348.403 2.753 0 50 EFAA COc1ccc2c(c1)C[C@H](N[C@@H]1CCO[C@@H](c3cncn3C)C1)CC2 275513011 KMLJPCZCIDTDSX-MBOZVWFJSA-N 341.455 2.796 0 50 EFAA CC[C@H](C)OCC(=O)NCc1cccnc1-n1cnc2ccccc21 408519585 WUIYCODCZQWHFS-AWEZNQCLSA-N 338.411 2.852 0 50 EFAA CCN(CCNC(=O)c1c(Cl)nc2ccccn12)CC(F)(F)F 170605842 PGPMNBMLPOMNIK-UHFFFAOYSA-N 348.756 2.602 0 50 EFAA CC(C)[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1Cl 187117179 LCOQOTSXUKSHOI-INIZCTEOSA-N 349.862 2.957 0 50 EFAA Cc1ccc([C@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)o1 195401184 OQPVSFIZCHVXMB-OAHLLOKOSA-N 341.454 2.595 0 50 EFAA c1cn2nc(N[C@@H]3CCN(C[C@@H]4CCC5(CCCC5)O4)C3)ccc2n1 660594230 PMAQOJTURPXRME-CVEARBPZSA-N 341.459 2.707 0 50 EFAA Cc1ccc(Cl)c(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)c1F 1615733352 DOPKELCQXWEEAI-LRDDRELGSA-N 335.810 2.613 0 50 EFAA O=C(NCc1cccnc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 37894 ANTQNDKESCDJPE-LDADJPATSA-N 347.374 2.762 0 50 EFAA Cc1cccc(OCC(=O)Nc2c(N3CCCC3)nn(C)c2C)c1C 1529167378 HXGCYWVKVKEFNN-UHFFFAOYSA-N 342.443 2.963 0 50 EFAA COc1cc(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc2c1OCO2 1704357286 OMXANORZWFVMAI-WNKDZCFJSA-N 346.471 2.975 0 50 EFAA CN1CCC2(CC1)OCCN2C(=O)c1ccc(Cl)cc1Cl 13692234 FDDQITPVPPTPDJ-UHFFFAOYSA-N 329.227 2.888 0 50 EFAA COc1ccnc(N2CCc3[nH]nc(-c4ccc(F)cc4F)c3C2)n1 19111131 ILVPOIKFGAGYIG-UHFFFAOYSA-N 343.337 2.716 0 50 EFAA CC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 19757751 XPFFMPUVEAKTOH-UHFFFAOYSA-N 333.819 2.968 0 50 EFAA COc1ccc(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)c(C)c1 169752870 UTMDLZSBLGBKGX-UHFFFAOYSA-N 342.395 2.763 0 50 EFAA Clc1ccc([C@H]2CN3C[C@@H](Nc4ncccn4)C[C@H]3CO2)cc1 1857689008 BFAQUKKHOXDQLS-HRCADAONSA-N 330.819 2.756 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)C1(N3CCCC3)CCCC1)CCC2 1857691964 IMOQZJPPLQFADX-HNNXBMFYSA-N 330.476 2.631 0 50 EFAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2nn(C)cc21 225763181 CNENNESLNKCONY-ZUZCIYMTSA-N 335.354 2.659 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)cc(O)n1 912096858 CMESUGCNKMDXCZ-FUHWJXTLSA-N 326.396 2.824 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ccccc1OC(F)(F)F 237490975 CFJZBHYJUPVTBJ-AAEUAGOBSA-N 330.350 2.856 0 50 EFAA O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H](CO)c1ccccc1 239722602 CDSDETVVCCRCMO-JTQLQIEISA-N 345.346 2.695 0 50 EFAA O=C(NC[C@H]1CCCS1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 131835199 WQQNBZRMNBFNML-HZPDHXFCSA-N 332.469 2.551 0 50 EFAA O=C1C[C@@H](NCc2cccc(F)c2F)[C@H](c2cccnc2)N1C1CC1 343470863 YLOAOBOENWZGOR-APWZRJJASA-N 343.377 2.954 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C1(N2CCOCC2)CCCC1 252517333 GCPOFZZWBRWKMZ-ARFHVFGLSA-N 332.444 2.533 0 50 EFAA COCCC(=O)N1CCC(NC2CC(c3cccc(C)c3)C2)CC1 154257007 QBDOLRBZEUFSKQ-UHFFFAOYSA-N 330.472 2.858 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)n1C 367746136 LQOODAKWGNPEQY-HOCLYGCPSA-N 332.831 2.835 0 50 EFAA Cn1nc(C2CCC2)cc1NC(=O)Cc1cc2ccccc2[nH]c1=O 158127131 GBLFSJLGRCREOJ-UHFFFAOYSA-N 336.395 2.710 0 50 EFAA O=C(O)C[C@H](O)c1ccccc1-c1ccc(N2CCSCC2)nc1 900999681 HJXWIBRHGFPBQC-INIZCTEOSA-N 344.436 2.810 0 50 EFAA O=C(C[C@]12CCCC[C@@H]1C2(F)F)N[C@H](C(=O)O)c1cccc(O)c1 911439785 PDVNQQVUWANTMC-DUVNUKRYSA-N 339.338 2.850 0 50 EFAA Cc1cc(C(F)F)n2ncc(C(=O)NCCc3c(C)noc3C)c2n1 1123528716 XAEUOBCQNFODDY-UHFFFAOYSA-N 349.341 2.553 0 50 EFAA O=C(c1nncc2ccccc12)N(Cc1ccncc1)C[C@@H]1CCCO1 931331614 HUQXVDZFGUNTQF-KRWDZBQOSA-N 348.406 2.846 0 50 EFAA Oc1nc2cccnc2n1C1CCN(c2cnc3ccccc3n2)CC1 1262706682 WLTAKWXBNFXMKR-UHFFFAOYSA-N 346.394 2.922 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 846835766 CSADPXBFNVLLCD-UKRRQHHQSA-N 339.361 2.962 0 50 EFAA O=C(O)c1occc1CN1CCC(NC(=O)C2CCCCC2)CC1 859786174 YKEXYZWEXUQLMO-UHFFFAOYSA-N 334.416 2.639 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)[C@H]2C)o1 952852713 OBWHVIWLQONLEM-JQWIXIFHSA-N 329.404 2.641 0 50 EFAA CN(C[C@@H]1COC(=O)O1)C(=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875319904 XRPMVVOUUJMLQW-SNVBAGLBSA-N 344.289 2.585 0 50 EFAA O=C(CSc1nc2ccccc2o1)NCc1ccc2c(c1)OCO2 111828 QNIBTJYTWACJKS-UHFFFAOYSA-N 342.376 2.965 0 50 EFAA Cc1nc(N(C)CC(C)(C)CN)c2cnn(-c3cccc(F)c3)c2n1 2325856288 JFJILOFTRXXLST-UHFFFAOYSA-N 342.422 2.684 0 50 EFAA COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 47666 IXKWTAAJCJAUIL-UHFFFAOYSA-N 345.351 2.751 0 50 EFAA biogenic,in-vitro Cc1nc(NC(=O)c2cccnc2)ccc1I 505829 ZUUQJXPCUUQKDY-UHFFFAOYSA-N 339.136 2.642 0 50 EFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 529242 DUJPFOJWEGLVLF-UHFFFAOYSA-N 346.452 2.945 0 50 EFAA CCN(CC)CCOC(=O)c1c(C)nc2n(C)c3ccccc3n12 1845789 WYCBZOVKQIXMHU-UHFFFAOYSA-N 328.416 2.633 0 50 EFAA O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@]12CCCNC2=O 2356166086 NYSKCOJWMIKHFI-NRFANRHFSA-N 349.434 2.997 0 50 EFAA Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 8246194 DBSDHTXIJSEWNS-CYBMUJFWSA-N 347.415 2.620 0 50 EFAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NC[C@@H]1COc2ccccc2C1 225258613 NJLNVIZZHMUDRJ-UWIFEVILSA-N 344.455 2.741 0 50 EFAA COC1(c2noc(-c3ccc(CN4CCOCC4)cc3)n2)CCC1 225600569 QDVPHHBUGDCUNK-UHFFFAOYSA-N 329.400 2.594 0 50 EFAA Cc1nc(C)n(C[C@H](C)C(=O)N(CCN2CCCCCC2)C(C)C)n1 55392768 DMEIMTQRDOJDRS-INIZCTEOSA-N 349.523 2.644 0 50 EFAA O=C(NC[C@@H]1CCNCC1(F)F)N1CCc2ccc(Cl)cc21 418726290 LPXFHDMFBJLJRZ-NSHDSACASA-N 329.778 2.657 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CC[C@H]3C2=C(C)C)c1 101900107 FSMPVYXFITZGDE-OTRWWLKZSA-N 339.391 2.955 0 50 EFAA CCN1CCO[C@@H](CNCc2c(C)noc2C)[C@@H]1c1ccccc1 343391068 DRFRUTRODXWZRP-OALUTQOASA-N 329.444 2.843 0 50 EFAA O=C(NCC[C@H]1CCCCO1)Nc1nc(-c2ccccc2F)n[nH]1 20778771 ZAVUNCNLLNDUDT-LLVKDONJSA-N 333.367 2.692 0 50 EFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(CCn2cccn2)C1 343713248 PGKHIVKEXCRXAL-WFASDCNBSA-N 325.334 2.710 0 50 EFAA CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C 20503841 IOJHRAOPMRKJKK-UHFFFAOYSA-N 344.459 2.577 0 50 EFAA Cc1ccc2cccc(NC(=O)C(=O)N(CC(F)F)C(C)C)c2n1 134483493 HGHFRZSEBNXINX-UHFFFAOYSA-N 335.354 2.984 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCc1nc(C2CCCCC2)no1 65529201 FXIPPWKSQGYCOK-UHFFFAOYSA-N 345.447 2.717 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)C(=O)c2cccnc2)cc1 215102751 KRPOCXKSWWJPQN-GOSISDBHSA-N 337.423 2.690 0 50 EFAA O=C1NC[C@H](c2ccccc2)Cc2[nH]c(-c3cn4ccccc4n3)nc21 67894188 IUIKCGOJQYZOQH-CQSZACIVSA-N 343.390 2.794 0 50 EFAA Cc1c(C(=O)N2CCc3ccccc32)cccc1N(C)S(C)(=O)=O 65365549 GKPQBEGMNXYWTB-UHFFFAOYSA-N 344.436 2.594 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1nnc2n1CCC2 229305618 TVABHOZITIZULV-QXSJWSMHSA-N 348.491 2.879 0 50 EFAA CC(C)(CNC(=O)C1(S(C)(=O)=O)CC1)Cc1cccc(Cl)c1 280062171 MSQGEGUWTDLAAQ-UHFFFAOYSA-N 343.876 2.602 0 50 EFAA Cc1nonc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 11945397 HBFISNIIEBQTOG-GFCCVEGCSA-N 343.431 2.909 0 50 EFAA Cn1nccc1CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 253420640 KMFTXNFFHVNMQL-INIZCTEOSA-N 337.370 2.638 0 50 EFAA CCOc1cc2c(cc1NC(=O)NC1(COC)CCC1)OCCO2 253421049 ZMNPZLLOPYGBEF-UHFFFAOYSA-N 336.388 2.547 0 50 EFAA Cc1cnc(O)n1-c1cccc(-c2noc(/C=C/c3cnccn3)n2)c1 356434195 RWIBPTQMKNZYEL-AATRIKPKSA-N 346.350 2.897 0 50 EFAA Cc1cccc(NC(=O)C2CCN(C(=O)c3cc[nH]c3C)CC2)n1 363175503 VPIZAJCLXRARCZ-UHFFFAOYSA-N 326.400 2.517 0 50 EFAA Fc1cc(F)cc([C@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72154138 MKYFHWKPCGDCAS-KZNAEPCWSA-N 342.393 2.821 0 50 EFAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1-c1ccccc1 123252519 XKUKXLIVNHVGFX-IAGOWNOFSA-N 330.453 2.902 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(N)nc2)c2ccncc2)cc1 215969558 HJAAVFBYYWQNER-SFHVURJKSA-N 334.379 2.587 0 50 EFAA O=C(c1ccc(Cl)cc1O)N1CCN(C2CCCCC2)C(=O)C1 217037079 UCKHCHGBTYEMLU-UHFFFAOYSA-N 336.819 2.663 0 50 EFAA CNC(=O)CC1CCN(Cc2nnc(-c3ccccc3)s2)CC1 155297792 YFZBKCDVVPRFEH-UHFFFAOYSA-N 330.457 2.553 0 50 EFAA COc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1Cl 34864971 ZSWYASPYWXNQKU-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA Cc1ccc(N2CCC(NC(=O)C[C@H](O)CC(C)(C)C)CC2)nc1 368257303 FGWNZPDNNWHKJX-INIZCTEOSA-N 333.476 2.662 0 50 EFAA CCN1CC[C@@H](N(C)C(=O)c2cc(-c3cccs3)n[nH]2)[C@H](C)C1 127275563 YUJRLUISEHJBAY-IUODEOHRSA-N 332.473 2.941 0 50 EFAA O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1cccc(Cl)c1 261753981 LIXMQSDLTINLNL-MRXNPFEDSA-N 336.844 2.675 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@@H](C)n3cccn3)CC2)cc1 77406539 YBPOUYVSJNLQMP-CQSZACIVSA-N 329.400 2.523 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 71759558 ZDSBTYGWQJWZMD-HNNXBMFYSA-N 343.402 2.702 0 50 EFAA O=C1[C@@H](N2CCC(CCCO)CC2)CCCN1Cc1ccccc1 371707223 NRDULSFTHAOWPY-IBGZPJMESA-N 330.472 2.662 0 50 EFAA Cc1ccncc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 456176737 RJYWNERMOGWXHV-ZDUSSCGKSA-N 343.814 2.713 0 50 EFAA CN1CCC(N2CCC[C@@H](C(=O)NC(C)(C)c3ccccc3)C2)CC1 71613782 GXDNHTNVQARGHA-QGZVFWFLSA-N 343.515 2.844 0 50 EFAA C[C@H](CC(=O)N(CCC(=O)O)C1CCOCC1)c1ccccc1F 237512618 TWVLISMITNNXOM-CYBMUJFWSA-N 337.391 2.802 0 50 EFAA O=C(c1ccc2nncn2c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 130228726 BRTOKQIJKBDKRA-OAHLLOKOSA-N 342.786 2.596 0 50 EFAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc(N(C)C)c2ccccc2n1 263103425 CZWBWIUGLUEUDH-STQMWFEESA-N 341.411 2.626 0 50 EFAA C[C@H](CNC(=O)N1CCCCO1)Oc1ccccc1Br 283716305 URAOUZANOQCTSI-LLVKDONJSA-N 343.221 2.953 0 50 EFAA CC1=NN(c2ccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc2)CC1 131149369 GRIHOYSCBKMGIC-RBUKOAKNSA-N 335.407 2.661 0 50 EFAA Cc1cccc(OCC(=O)N[C@H]2CCOC3(CCOCC3)C2)c1C 221299033 IHJLKQXLCWUTPE-INIZCTEOSA-N 333.428 2.527 0 50 EFAA CCN(C(=O)NCc1ccoc1)[C@@H]1CCN(c2ccccc2)C1=O 176451625 BSQOIMMNCBHVKV-MRXNPFEDSA-N 327.384 2.617 0 50 EFAA CC(C)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49546993 KUXXAAVMDQXXBH-UHFFFAOYSA-N 335.407 2.836 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 82108105 DGYPQHIZDPMNKO-OAHLLOKOSA-N 336.439 2.861 0 50 EFAA CCN(CC(F)(F)F)C(=O)c1cccc(-c2cnc(O)nc2)c1 426602556 SPFJIHBNEIGMHD-UHFFFAOYSA-N 325.290 2.874 0 50 EFAA O=C(c1cnc(COc2ccccc2)[nH]c1=O)N1Cc2ccccc2C1 91636961 AOTLOUAKNCSOIW-UHFFFAOYSA-N 347.374 2.505 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)n1C 291325580 VCWSIVUMJQTEGL-FQEVSTJZSA-N 326.440 2.791 0 50 EFAA O=C(Cc1noc2ccccc12)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95500140 DLLYWKBLFWNFPM-HZPDHXFCSA-N 339.439 2.703 0 50 EFAA CN1CC[C@@H](NC(=O)c2sc3cccc(F)c3c2Cl)C1=O 91757261 YYLPDSFJSGEVLZ-MRVPVSSYSA-N 326.780 2.654 0 50 EFAA COc1cc(C)cc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 162307830 UDFPTOHBXUKEHC-INIZCTEOSA-N 342.370 2.885 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1ccnc(C)c1)C2 95353324 QSMQEYTUGLXTQQ-INIZCTEOSA-N 326.396 2.608 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)N3CCOC[C@H](CN(C)C)C3)c(C)c2c1 91914532 DVIOBJLJOZWDNG-MRXNPFEDSA-N 343.471 2.743 0 50 EFAA COc1cc(CNC(=O)N2CC[C@H](C)[C@@H](C)C2)cc(OC)c1OC 179294708 DOOACWXVNZOSAJ-STQMWFEESA-N 336.432 2.900 0 50 EFAA CCCN1CCC(CC(=O)NCc2noc(-c3cccs3)n2)CC1 95389486 VLMDYQONEBBYPU-UHFFFAOYSA-N 348.472 2.926 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(Cl)cc1 293569497 DMYPDTNHPXGLAS-HUUCEWRRSA-N 343.876 2.745 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1COc2ccccc2C1 91625690 COZXTBRBMFEQCA-HNNXBMFYSA-N 339.439 2.888 0 50 EFAA CO[C@@](C)(C(=O)N[C@@H](C)c1ccc(Br)cn1)C1CC1 293434242 UVEOPRHURXYGSY-LKFCYVNXSA-N 327.222 2.836 0 50 EFAA CNc1ncc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccccc2)s1 240551573 GUSVMWWBBDIJCH-HOCLYGCPSA-N 344.484 2.998 0 50 EFAA C[C@@H](NC(=O)Nc1ccncc1F)c1ccc(-n2cncn2)cc1 184192284 LTOJLQVFGLLCJE-LLVKDONJSA-N 326.335 2.684 0 50 EFAA COc1ccc(NC(=O)c2ncn(-c3ccc(F)c(F)c3)n2)cc1 261490582 LOPLMIUBWCNXOS-UHFFFAOYSA-N 330.294 2.806 0 50 EFAA O=C1C[C@@H](C(=O)NCc2c[nH]nc2-c2ccccc2)C2(CCCC2)O1 299759257 DWIFFIVZYPPSHU-HNNXBMFYSA-N 339.395 2.569 0 50 EFAA CCc1nc(O)ccc1C(=O)N(C)[C@H](C)c1ccc2c(c1)OCCO2 1940198005 GYWLHJMKPGRPHX-GFCCVEGCSA-N 342.395 2.954 0 50 EFAA Cc1cc2nc(C(=O)N[C@H](C)c3nc(C)sc3C)cc(C)n2n1 299772496 ZRPNVSJVMPUHGL-SNVBAGLBSA-N 329.429 2.910 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c1C 828054207 RXDRUZGMVUYQMA-UHFFFAOYSA-N 339.355 2.626 0 50 EFAA CC(C)C(=O)N1CCC[C@@H](NC(=O)N(C)C/C=C/c2ccccc2)C1 584884072 CYFKSYYGGNZSMR-JGZYNSJSSA-N 343.471 2.988 0 50 EFAA Cc1ccc(C2=NN[C@H](c3ccc(OCC(N)=O)cc3)S2)cc1 670427348 IMDYEMPPGGEGEP-KRWDZBQOSA-N 327.409 2.556 0 50 EFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@H](O)C1 1074606181 JMJFHYRDDXEWTO-YPMHNXCESA-N 335.835 2.816 0 50 EFAA COc1ccc(CCN(Cc2ccccc2F)C(=O)[C@H]2CCN2)cc1 952965331 QBGJSDCKWOUTSO-LJQANCHMSA-N 342.414 2.768 0 50 EFAA Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)on1 952982732 RHIURZAIXIFROH-UHFFFAOYSA-N 342.399 2.660 0 50 EFAA CCc1nc2cc(NC(=O)[C@@H]3CCN(CCOC)C3)ccc2n1CC 952975670 GAWPXBAZLWREFN-CQSZACIVSA-N 344.459 2.525 0 50 EFAA O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)[C@@H]1Cc2ccccc21 408512994 SBDBBTYMJKNALP-OAHLLOKOSA-N 349.369 2.957 0 50 EFAA CCC[C@H]1CN(C(=O)Nc2cc(OC)ccc2OC)C[C@@H]1N(C)C 1565513723 JNCKVZUIXITBJZ-BBRMVZONSA-N 335.448 2.898 0 50 EFAA COc1cc(C(=O)N2C[C@@H](OC)[C@H](OC)C2)ccc1OC1CCCC1 170612150 UGFZHNLINDIULG-QZTJIDSGSA-N 349.427 2.502 0 50 EFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1cnn(C)c1 187055620 RJWXVNZOJXNIKG-MLGOLLRUSA-N 333.819 2.605 0 50 EFAA Cc1nc(C(=O)NC(C)(C)c2cccc(Cl)c2F)c(=O)[nH]c1C 187351173 MTMRWAXSWOFVCV-UHFFFAOYSA-N 337.782 2.844 0 50 EFAA CO[C@@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CC[C@@H]1C 190615026 YPCHPCUTHLNINR-MAUKXSAKSA-N 331.460 2.722 0 50 EFAA C[C@@]1(C(=O)N2CCC(Cn3ccnn3)CC2)CCc2ccccc2C1 677061030 UPDRATJHLBFFIP-HXUWFJFHSA-N 338.455 2.712 0 50 EFAA Cc1cc(-c2ncccc2NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)cs1 194158014 YAPGGVJASZTURO-YGRLFVJLSA-N 344.440 2.765 0 50 EFAA Cn1nc(CC(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)c2ccccc21 653327420 YENVKYVIZQCFFF-CVEARBPZSA-N 349.390 2.545 0 50 EFAA COc1cc(Nc2ncnc3onc(C)c23)ccc1N1CCCC1=O 195507274 ORZSQNQCJRMWQH-UHFFFAOYSA-N 339.355 2.805 0 50 EFAA CO[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1 195564963 FAKCLZBBUQWOEM-BRWVUGGUSA-N 336.407 2.770 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cc(O)n1 1506399037 XKXVXEGEZDZXAF-INIZCTEOSA-N 328.416 2.686 0 50 EFAA C[C@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F 129628540 DCFXWGZVGRFHQD-VIFPVBQESA-N 329.213 2.765 0 50 EFAA 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CCN1CCC[C@@](C)(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 95382971 LUZMXFVNBHGPJA-LJQANCHMSA-N 346.450 2.873 0 50 EFAA CCCc1cnc(C)nc1N1CCC(N[C@H]2CCCC[C@@H]2O)CC1 95503364 YWPJUPZPOGCFRI-ROUUACIJSA-N 332.492 2.599 0 50 EFAA COc1cc2c(cc1CNC(=O)c1cc(CC(C)C)no1)OCCO2 91547222 PXYIARVTFOSAFN-UHFFFAOYSA-N 346.383 2.583 0 50 EFAA CN(C)[C@H](C(=O)NCCOCc1ccccc1)c1ccccc1F 91943352 WSBBZQDXOBHHNG-SFHVURJKSA-N 330.403 2.761 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@H]3C)C2=O)cc1 239338755 LEFMFIUYTZNGGI-XYPHTWIQSA-N 330.428 2.886 0 50 EFAA CCc1nc(N)nc(NC[C@H]2CCCN(Cc3ccco3)C2)c1C 95377931 AXUSTZQPSGRFFT-CQSZACIVSA-N 329.448 2.847 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21 92028294 KEMUCJVGPDHWGZ-INIZCTEOSA-N 339.395 2.565 0 50 EFAA CC1(C)CN(CCNc2ccnc(Cc3ccccc3)n2)CCO1 184012563 ASBPLFPSHOFGQM-UHFFFAOYSA-N 326.444 2.590 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 181189064 KSHMUQKROPLZLQ-CYBMUJFWSA-N 334.807 2.763 0 50 EFAA C[C@@H](O)[C@@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 183198065 IOWMCBQLACHXFN-DGCLKSJQSA-N 345.270 2.655 0 50 EFAA CCOC(=O)c1cn(C)nc1NC(=O)Cc1ccc(F)cc1Cl 183353378 DCODXPMXNSMHQQ-UHFFFAOYSA-N 339.754 2.571 0 50 EFAA CCc1ccccc1CN1CCn2nc(CNc3ncccn3)cc2C1 299795260 OCZSPLHOGYXPLX-UHFFFAOYSA-N 348.454 2.863 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)C2)OC1=O 299780717 LDFJNHNVYGEDJU-OAHLLOKOSA-N 343.305 2.552 0 50 EFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)NCCCc1csc(N)n1 670448117 HLCUAXWZAWZADD-UHFFFAOYSA-N 341.440 2.786 0 50 EFAA Cn1cccc1[C@H]1COCCN1C(=O)c1ccnc(-c2ccco2)c1 1335273941 UGWYYEAOLGRYDM-QGZVFWFLSA-N 337.379 2.894 0 50 EFAA COc1ccccc1C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 1565513860 NSXCJNVOAICWDM-CABCVRRESA-N 331.412 2.902 0 50 EFAA Cc1cnc(CN2CCN(c3nsc4ccccc34)CC2)cn1 1207076781 VZJLKYJQQDEOCB-UHFFFAOYSA-N 325.441 2.717 0 50 EFAA Cn1nccc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 170854698 XPBHLFKSGBOFHQ-ZKKXHLJNSA-N 325.368 2.526 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Cc2ccoc2)C1 190526963 DBTSWJWZFUFTMF-OAHLLOKOSA-N 333.457 2.568 0 50 EFAA CN(C)c1noc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 192742620 NGHKPQHCDRSJRN-KBPBESRZSA-N 334.420 2.597 0 50 EFAA Cn1nnc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 193429759 GQPUNAMFADGRNZ-LLVKDONJSA-N 342.230 2.560 0 50 EFAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)c(O)c(Cl)c1 194897257 WUEAJTBTSXYNNZ-BONVTDFDSA-N 345.823 2.969 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2C)s1 681569324 ORAKPUBEHYUSNF-ZDUSSCGKSA-N 339.438 2.859 0 50 EFAA Cc1nccc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)n1 195273748 YUJVATYPALQSML-VIFPVBQESA-N 348.200 2.975 0 50 EFAA COC[C@@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 654127507 JJRDXEFPXWOFHN-HIFRSBDPSA-N 338.448 2.601 0 50 EFAA COc1cccc(NC(=O)N2CCN(c3ncccc3F)CC2)c1F 771268049 YHAQXUNAWRMPGX-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA Cc1cc(C)n(C[C@@H](C)N2CCN(Cc3ccc(F)cc3)CC2)n1 1506406704 MYTQVBHGQSZFMX-QGZVFWFLSA-N 330.451 2.845 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2CCCCCC2)OCC(=O)N1C 1529179945 ABAQOEHJGPOEMJ-MOPGFXCFSA-N 344.455 2.732 0 50 EFAA CCc1nc(C)sc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 220251272 BKUACUAVXSRCNK-CABCVRRESA-N 333.501 2.847 0 50 EFAA O=S(=O)(Nc1ncccn1)c1ccc(Cl)cc1Br 225632682 IPTCAZAKIDYIAL-UHFFFAOYSA-N 348.609 2.693 0 50 EFAA CCN(CCOc1cc(C)cc(C)c1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704311264 BRBQMMKMUHMGFW-NZSAHSFTSA-N 349.471 2.707 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1OC 1704312089 ZCVKDFOJOMRFIM-SJLPKXTDSA-N 334.416 2.863 0 50 EFAA Cc1cc(C)c(C(=O)N2CC(=O)N(c3ccccc3C)[C@@H](C)C2)[nH]1 11869465 WYTZFJCSGJMCHX-HNNXBMFYSA-N 325.412 2.817 0 50 EFAA CSCC(=O)NC[C@@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 12035860 CGTNSJFBRCXEDD-HNNXBMFYSA-N 343.452 2.543 0 50 EFAA CCCCNC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 13324762 TVZIZVICVUZLOV-UHFFFAOYSA-N 339.867 2.976 0 50 EFAA CC(C)Cc1cc(-c2nn3c(-c4cccnc4)nnc3s2)[nH]n1 13548547 BOFJZHSUODKZPQ-UHFFFAOYSA-N 325.401 2.836 0 50 EFAA COc1cc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1F 15076263 RBODAWDLLRPPDC-MRXNPFEDSA-N 346.377 2.864 0 50 EFAA O=C(COc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 15564589 BBXYMTWIQMVEIP-UHFFFAOYSA-N 342.414 2.985 0 50 EFAA CCN1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 19823718 JZWXCFRXODOFEK-UHFFFAOYSA-N 349.906 2.716 0 50 EFAA O=C1NC[C@H](NCc2ccc(F)cc2)n2nc(-c3ccccc3)cc21 169754467 LUSXYCBPOFCTTL-GOSISDBHSA-N 336.370 2.721 0 50 EFAA Cc1[nH]nc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c1Cl 1857673123 OWYDZDNRHNOZAC-UKRRQHHQSA-N 341.883 2.902 0 50 EFAA O=C(Cc1noc2ccccc12)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857723172 VURAJMZRSYWWTN-RKVPGOIHSA-N 339.439 2.703 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2nncn2C(C)C)CC1 408387225 QXZIYZNDBHXCHR-HOTGVXAUSA-N 334.464 2.770 0 50 EFAA CC1(C)[C@H](NC(=O)NCCc2cccc3cccnc23)[C@H]2CCO[C@H]21 230084933 DOYAQSPZPDAAGA-KBAYOESNSA-N 339.439 2.890 0 50 EFAA COc1ccc(/C=C/CN2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)cc1 247891849 BHOUQDWBJGTCMZ-KTBRJVSMSA-N 338.407 2.904 0 50 EFAA C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 134396052 LMWBKRNWKYNPEA-JGVFFNPUSA-N 334.260 2.690 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)ccc1Cl 262335926 SRMKPKUMYIQOPP-NXEZZACHSA-N 335.709 2.984 0 50 EFAA CCn1c(CNC(=O)Nc2cncc(OC)c2)nc2ccccc21 1219699752 RUPILDLGLIOZCW-UHFFFAOYSA-N 325.372 2.782 0 50 EFAA CC(C)[C@H]1N(C(=O)C[C@H]2SC(=N)NC2=O)CC12CCCCCC2 827994576 SENHQASLOYRJQN-TZMCWYRMSA-N 337.489 2.750 0 50 EFAA CC(=O)N1CC[C@@H](NC(=O)c2cc(C3CC3)nn2C)c2ccccc21 935098197 CQLIPTMQGOLZIR-OAHLLOKOSA-N 338.411 2.525 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@H]4CCCC[C@@]4(CN)C3)n[nH]2)o1 1875287565 PEQMDBCGLCRCMK-FZKQIMNGSA-N 328.416 2.569 0 50 EFAA COCc1cc(Cn2cc(C34CC5CC(CC(C5)C3)C4)nn2)no1 1875282861 WBEWFHFPLNKWBR-UHFFFAOYSA-N 328.416 2.929 0 50 EFAA Cc1cc(C)cc(OCCN(C)C(=O)c2cc(C(=O)O)cnc2C)c1 1875268909 DWEZHUQPCMWWHB-UHFFFAOYSA-N 342.395 2.856 0 50 EFAA CC(C)(C)c1coc(COc2cc(Cl)ccc2S(N)(=O)=O)n1 1875281951 GRCGBHFWCIKUAW-UHFFFAOYSA-N 344.820 2.852 0 50 EFAA OCC1(CNc2cc(N3CCCC3)ncn2)CC2(CC(F)(F)C2)C1 1875305002 BVPCKROSFZVUQM-UHFFFAOYSA-N 338.402 2.677 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)c2cc(F)ccc2C)CC[C@@H]1C(F)(F)F 888076457 MBTBHMYUFIJWFV-GXTWGEPZSA-N 346.324 2.806 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc3c(c2)COC3)C1 888103119 HVCZCJGEKHPGGD-SJORKVTESA-N 341.411 2.659 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3ccnn3C)C2)c(C)c1 892461868 KRXRREBAEJUEBO-GOSISDBHSA-N 342.443 2.628 0 50 EFAA CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2nc(Br)nn2c1 1775999059 NGUQLCRXPKFDFK-MWLCHTKSSA-N 337.221 2.895 0 50 EFAA CC(C)NC(=O)CN[C@H](C)CC1CCN(C(=O)OC(C)(C)C)CC1 1775994453 OHCNYIYHEBFAMI-CQSZACIVSA-N 341.496 2.526 0 50 EFAA COc1ccc(Cl)cc1[C@@H](C)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 1775986782 ZCGZMEPNVFCPEZ-ZETOZRRWSA-N 336.823 2.895 0 50 EFAA CC1(C)C[C@H](O)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 296996734 QCXKLIJGWULYEF-LJQANCHMSA-N 344.499 2.908 0 50 EFAA C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc3c(c2)OCO3)O1 87951 UCRUBPDEEMLHSM-XIKOKIGWSA-N 327.336 2.907 0 50 EFAA O=C(O)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 966688 NVOHFXNOVOOOKR-UITAMQMPSA-N 342.170 2.570 0 50 EFAA O=C(NC[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCc2nc(C3CC3)ncc2C1 2325791758 IUGPWKVJMHYRFP-QILLFSRXSA-N 341.455 2.533 0 50 EFAA Cn1ncc2c(NC(=O)c3csc([C@@H]4CCCNC4)n3)cccc21 2325795682 SWUMVBUVTWOEND-LLVKDONJSA-N 341.440 2.749 0 50 EFAA Cn1cc(-c2ccc(CNC(=O)c3sccc3CN)cc2)cn1 2325857135 QMDVKSKAXPMCHJ-UHFFFAOYSA-N 326.425 2.537 0 50 EFAA CCOC(=O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 445125 KNIFJPVNONZEMF-UHFFFAOYSA-N 336.804 2.862 0 50 EFAA Cc1ccc(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)cc1C 1217748 NDIMAJGFWRYLHU-LBPRGKRZSA-N 333.331 2.509 0 50 EFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)Cc2ccccc2F)C1=O 2356139158 CIJORECHCYXCMH-LJQANCHMSA-N 332.419 2.760 0 50 EFAA Cc1sc2ccc3sccc3c2[n+]1CCCS(=O)(=O)O 2566329 KCQGNKZNFMTJEQ-UHFFFAOYSA-O 328.460 2.990 0 50 EFAA CN(C)[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1cccs1 172505271 YKMPHJORVHDISE-HNNXBMFYSA-N 347.488 2.663 0 50 EFAA CC(C)CC(=O)N1CCN(CC2=CCCN([C@H]3C=CCCC3)C2)CC1 65492591 KIXFLBMZGNPFMB-FQEVSTJZSA-N 345.531 2.918 0 50 EFAA CCn1cc(S(=O)(=O)N(c2ccc(F)cc2)C(C)C)nc1C 347908162 HARBYDJOBDPHJJ-UHFFFAOYSA-N 325.409 2.954 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 136132602 SMKUQVJLAQOTET-LLVKDONJSA-N 334.759 2.932 0 50 EFAA OCC[C@@H]1CN(Cc2cc3ccccc3[nH]2)CCN1C1CCCC1 23375075 XNQVNZFXNVMOFZ-LJQANCHMSA-N 327.472 2.979 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCOCC3)o2)c(-n2cccn2)c1 67586979 VVCPUTFSKRIHBE-UHFFFAOYSA-N 337.379 2.913 0 50 EFAA COc1ccc2[nH]c(CNc3ccc(-c4nccn4C)nn3)cc2c1 67695045 SYTXNUSTYREZEF-UHFFFAOYSA-N 334.383 2.979 0 50 EFAA CN1CCN(Cc2ccc3c(c2)oc(=O)n3C)C2(CCCCC2)C1 252496622 PNCIMZKNLCZOAE-UHFFFAOYSA-N 329.444 2.582 0 50 EFAA CC[C@H](NC(=O)N[C@@H](C)[C@H]1COc2ccccc21)c1noc(C)n1 252512705 UYWWWCYNSLFLBD-GDLCADMTSA-N 330.388 2.693 0 50 EFAA O[C@H](C[C@H]1CCCCCN1c1nccn2cnnc12)c1ccco1 253423035 BGUXPHXLMCTCOL-ZIAGYGMSSA-N 327.388 2.590 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN(Cc1cc(C)no1)CC2 253418919 DYHGQCGQEFOHNG-UHFFFAOYSA-N 332.400 2.610 0 50 EFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cccc(C)c1F)CC2 121214028 CPSMLYOYYLEIBW-GJZGRUSLSA-N 336.407 2.918 0 50 EFAA CCOC(=O)c1cccnc1NC1CCN(Cc2ccccn2)CC1 253419282 KPRGBYWDQNNZPS-UHFFFAOYSA-N 340.427 2.730 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 72158502 GUDDYMFSFDGHQK-SFHVURJKSA-N 348.462 2.817 0 50 EFAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CCOCC2)CC1 219136510 XSBGYZJNUOAYKS-IBGZPJMESA-N 342.483 2.852 0 50 EFAA Cc1c(Cn2ccnc2-c2cc3ccc(F)cc3[nH]c2=O)cnn1C 71774987 ZGGHXBVYYSKMMV-UHFFFAOYSA-N 337.358 2.621 0 50 EFAA FC(F)(F)Cc1noc(CN2CC[C@@]3(C2)OCc2ccccc23)n1 329937951 AAMDEFQYQPCKGF-HNNXBMFYSA-N 339.317 2.806 0 50 EFAA Cc1nnc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)o1 216532822 VKSFUTBKLNSLCT-KRWDZBQOSA-N 346.406 2.703 0 50 EFAA COCC[C@H](C)S(=O)(=O)N1CC[C@H](Oc2ccccc2Cl)C1 330907452 CGINBZNDPYBNIF-STQMWFEESA-N 347.864 2.548 0 50 EFAA Cn1c(CCNC(=O)c2ccccc2[C@@H]2CCNC2)nc2ccccc21 72121779 IMONQEVXHKTOEC-OAHLLOKOSA-N 348.450 2.623 0 50 EFAA CCn1c(C)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C 72440531 BGAHWKOIQMZACT-MRXNPFEDSA-N 347.503 2.698 0 50 EFAA O=C(c1cccc(-n2ccnc2)c1)N1CC[C@](CO)(c2ccccc2)C1 366065663 CUPXUBGAGYNBIC-NRFANRHFSA-N 347.418 2.649 0 50 EFAA O=C(c1cccc2c1CCC2)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263139902 WNJCCGNBIXLOON-OAHLLOKOSA-N 327.302 2.655 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCOC2(CCOCC2)C1 77340677 GFOFIFFJJPODSY-AWEZNQCLSA-N 341.810 2.866 0 50 EFAA Cc1cc(C(=O)N2CC[C@]3(CCCOC3)C2)nn1-c1ccc(F)cc1 375566890 SJUMOIATSMNPRC-LJQANCHMSA-N 343.402 2.963 0 50 EFAA O=C(NCCF)c1ccc(-c2ccc(C(=O)NCCF)cc2)cc1 239654155 BMRRYPBRGIPPEW-UHFFFAOYSA-N 332.350 2.752 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](Cn2ccnc2)C1 218890442 PTZUGXXCNYJOKM-OAHLLOKOSA-N 337.427 2.631 0 50 EFAA CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@@H](C(=O)c2ccoc2)O1 71786961 IWEGJKWNPQDLQU-HOCLYGCPSA-N 330.336 2.839 0 50 EFAA O=C(CCc1nnc(CCC2CCCCC2)o1)NCCn1cccn1 13593860 FCEQCJUQFLVTDZ-UHFFFAOYSA-N 345.447 2.528 0 50 EFAA O=C(O)CCN(C(=O)c1csc2c1CCCC2)C1CCOCC1 238081200 RNYPVJOETAWSEZ-UHFFFAOYSA-N 337.441 2.723 0 50 EFAA O=C(Nc1cccnc1N1CCCC1)N1CC[C@H](C2CCOCC2)C1 378289137 YOWSFLDMVPREMB-INIZCTEOSA-N 344.459 2.962 0 50 EFAA COCc1nc(N(C)Cc2csc(C(C)C)n2)c2cnn(C)c2n1 72137000 XJTQTNAFEUINMF-UHFFFAOYSA-N 346.460 2.726 0 50 EFAA COCCn1cc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cn1 282226127 RNSRPHZWDFPRDR-MRXNPFEDSA-N 348.834 2.670 0 50 EFAA Cc1ncsc1CCC(=O)N1CC(OCc2ccccc2F)C1 82087851 IHEQYAJCFPQWRO-UHFFFAOYSA-N 334.416 2.951 0 50 EFAA CCCC[C@@H]1C[C@@H]1C(=O)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1 48482690 MWKCFFUNXATKRH-CVEARBPZSA-N 347.507 2.537 0 50 EFAA CC(C)NC(=O)c1cc(NC(=O)NCCc2cnc[nH]2)ccc1Cl 426387601 FJBOLLYRMDIULU-UHFFFAOYSA-N 349.822 2.566 0 50 EFAA COc1ccc(OC)c2c1CN(C(=O)c1oc(C)cc1C)C[C@@H]2O 175408227 XHCDKBNZGIYDFV-ZDUSSCGKSA-N 331.368 2.603 0 50 EFAA Cc1nn(CCNC(=O)c2ccc(-c3cccc(N)n3)cc2)c(C)c1C 426440270 KHFZJXPZTPXWMU-UHFFFAOYSA-N 349.438 2.883 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCCC3)n1 426489571 DBVOLCSZCYZIBD-LLVKDONJSA-N 346.435 2.698 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)c1cc([C@@H]2CCOC2)ncn1 426701426 NQFSMEVIXRULEF-CQSZACIVSA-N 337.383 2.667 0 50 EFAA Cn1cc(SCC(=O)N2CCn3cncc3C2)c2ccccc21 426409474 RPVTXLFBQZSVMT-UHFFFAOYSA-N 326.425 2.509 0 50 EFAA Cc1nc2c(NCC3(N4CCOCC4)CCCCCC3)ncnc2o1 91644923 MTKGWPONBAYHCY-UHFFFAOYSA-N 345.447 2.763 0 50 EFAA CN1CCC[C@]2(CCN(C3CCN(c4ccccc4F)CC3)C2)C1=O 91486772 UUVOEYIRHRTGMC-HXUWFJFHSA-N 345.462 2.739 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)[C@H]1COc2ccccc2C1 95522021 FGFSPSMZYHHDPL-CQSZACIVSA-N 329.400 2.793 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1 238012695 BYIAPEWAWCOQLY-HNNXBMFYSA-N 329.327 2.706 0 50 EFAA Cc1cnc(N2CCO[C@@H](c3ccccc3)C2)nc1-c1cnn(C)c1 23619481 AXEDCQJOGRURIM-QGZVFWFLSA-N 335.411 2.763 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 238008514 REMVXIZAMNPAPH-CQSZACIVSA-N 331.412 2.658 0 50 EFAA COC[C@H](NC(=O)Nc1ccc2nc(C)sc2c1)c1ccnn1C 244811428 SCLNUSCRHPCPOE-ZDUSSCGKSA-N 345.428 2.847 0 50 EFAA CNc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 293821895 VDMUGWBDYIMDDC-CQSZACIVSA-N 327.432 2.921 0 50 EFAA CC(C)C[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1 253412368 QTKQRQMUTCVBMJ-QGZVFWFLSA-N 340.427 2.904 0 50 EFAA Cc1ccc2ncnc(N[C@@H]3CCCN(c4cccnc4)C3=O)c2c1 182239326 BNWXYQLCRRIHAV-QGZVFWFLSA-N 333.395 2.941 0 50 EFAA Cc1ccc(NCCCNC(=O)N(C)C[C@@H](O)c2ccccc2)nc1 534574437 DDJCUSVYRAISLO-QGZVFWFLSA-N 342.443 2.567 0 50 EFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)O)C3)c1C 299778297 GHETWOURWLBGGZ-SNVBAGLBSA-N 344.392 2.842 0 50 EFAA CCc1nn(C)c(NC(=O)NC[C@@H]2CCOC2)c1-c1ccc(F)cc1 299759959 RFVUSMNPIYQPKT-LBPRGKRZSA-N 346.406 2.947 0 50 EFAA Cc1ccnn1CCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 823764800 GZNJLXBCCNBRJU-UHFFFAOYSA-N 342.443 2.693 0 50 EFAA CC(C)(O)Cn1nc(Cc2cccs2)nc1CCCc1cn[nH]c1 821508381 OTNKNPFMCQYDRF-UHFFFAOYSA-N 345.472 2.600 0 50 EFAA CC[C@@H](O)Cn1nc(COC)nc1-c1ccc(C(F)(F)F)cc1 670444504 YSBYDAYPTUEMSU-GFCCVEGCSA-N 329.322 2.881 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)C2CC2)n1 1417591177 SMGLQDQMIKFSHR-GFCCVEGCSA-N 332.404 2.897 0 50 EFAA CC1(C(=O)N2CCCN(C(=O)c3ccc(Cl)s3)CC2)CC1 941298887 AYNLLJRDDNIMTN-UHFFFAOYSA-N 326.849 2.876 0 50 EFAA CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)n(C)c1 952981921 PUTAYCGVJGVLIY-OAHLLOKOSA-N 325.412 2.718 0 50 EFAA Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 408520494 IASMGAJAWDSZEC-JSGCOSHPSA-N 335.448 2.946 0 50 EFAA O=C([C@H]1CCCCO1)N(CCc1ccccn1)Cc1ccncc1 408515543 OXODXKRZKWLQHK-GOSISDBHSA-N 325.412 2.617 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1nccn1-c1ccccc1 276662663 WNAIDYTVGHGLGC-WMZOPIPTSA-N 337.427 2.709 0 50 EFAA CCCn1c(=O)n(CCC(=O)N(C)Cc2ccco2)c2ccccc21 170604760 NCKUEUZZKOKRAQ-UHFFFAOYSA-N 341.411 2.855 0 50 EFAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2snnc2C)c(C)c1 170612294 SIOROJWLYPDCGZ-SNVBAGLBSA-N 332.429 2.936 0 50 EFAA O=C(NCCCNCc1cccnc1)c1cc2cccc(F)c2o1 170676288 ZBQADJWMNBVPNL-UHFFFAOYSA-N 327.359 2.877 0 50 EFAA C[C@@H]1C[C@H](NC(=O)Nn2cnc3ccccc32)CN1c1ccccc1 170644623 GHVIDXQTEJCBPS-CABCVRRESA-N 335.411 2.957 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)N2Cc3cnnn3Cc3ccccc32)cc1 188986028 UBKNTUADYHZUKQ-HNNXBMFYSA-N 348.406 2.949 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1nc2ccccc2n1C 190423898 KNDWDXLUYMTFEJ-YJBOKZPZSA-N 339.443 2.800 0 50 EFAA COc1ccc2cccc(CC(=O)N3CC[C@](C)(C(=O)O)C3)c2c1 191044642 GNGOSEQTSDQPCP-IBGZPJMESA-N 327.380 2.714 0 50 EFAA C[C@@H]1CCN(C(=O)NCc2ccccc2N2CCOCC2)CCS1 192426784 SKONNYXYDXAUNC-OAHLLOKOSA-N 349.500 2.560 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)C1(C)C 681940872 WRRRZVMFKZPCHP-AJTLQJAISA-N 348.487 2.669 0 50 EFAA COc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1O 195210852 ASBAYFDYKWPHRA-UHFFFAOYSA-N 327.315 2.978 0 50 EFAA C[C@H](Cn1cncn1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 1506427793 NTFPUJYNTRQDJN-LLVKDONJSA-N 345.403 2.739 0 50 EFAA COc1ccc(OCCCN2CCC[C@H](c3cc(O)ncn3)C2)cc1 1506407419 RXXBVSLAOSDBLQ-HNNXBMFYSA-N 343.427 2.839 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCN12 1529186415 DLKLSAJWBIJUDG-DLBZAZTESA-N 336.863 2.594 0 50 EFAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(F)c1F 1529094600 IHTVTSQGLOKOGZ-HIFRSBDPSA-N 332.350 2.656 0 50 EFAA COc1cccc(NC(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)c1 11661925 GGBQADDRBCMINU-INIZCTEOSA-N 345.443 2.998 0 50 EFAA CN(Cc1nc(-c2ccccn2)no1)C1CC(C)(C)NC(C)(C)C1 11814707 QYNFYQIHOXLIKK-UHFFFAOYSA-N 329.448 2.873 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 11878829 IICSMWKMKYSVED-AWEZNQCLSA-N 349.500 2.634 0 50 EFAA CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cccs2)CC3)CC1 12279365 MXKFQWGKBCVPKD-QGZVFWFLSA-N 347.528 2.514 0 50 EFAA CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 12451538 RVKCMKHRJWPNRX-MOPGFXCFSA-N 328.456 2.869 0 50 EFAA O=C(CCN1CCCCO1)N1CCC[C@@H](Nc2cccc(F)c2)C1 12587655 UCOVXPLLPQTPIJ-QGZVFWFLSA-N 335.423 2.646 0 50 EFAA COC[C@@H]1CCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 14968366 OATANQXEOREMOU-QGZVFWFLSA-N 342.483 2.505 0 50 EFAA CCN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 16580525 DXKPEAQRTZVMKQ-UHFFFAOYSA-N 331.641 2.880 0 50 EFAA CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(O)c1 16671516 SHULLNOSTSVGMO-UHFFFAOYSA-N 332.363 2.839 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Br 18163140 XZANJRQORMYGIF-PHIMTYICSA-N 348.262 2.555 0 50 EFAA CCn1cncc1CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857673094 NNKZZGSSCYOJEB-UHFFFAOYSA-N 335.455 2.904 0 50 EFAA CC[C@H](C)[C@@H](CO)n1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857682992 ODQXUQFWWDOPIH-YVEFUNNKSA-N 341.411 2.980 0 50 EFAA CCc1nn(C)cc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 328630774 JTYBDTIWCHXOGQ-GOSISDBHSA-N 327.476 2.932 0 50 EFAA CC[C@H](C)c1cc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)on1 328613519 SFQGCBGNDRNILQ-WCQYABFASA-N 348.403 2.908 0 50 EFAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)C2 237898718 MHCWFCXVHLUSFZ-WMLDXEAASA-N 331.412 2.710 0 50 EFAA NC[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 237954116 UAIHFNHBVRLMIR-LBPRGKRZSA-N 335.860 2.956 0 50 EFAA O=C(Cc1ccn[nH]1)Nc1ccc(Br)c2cccnc12 242263426 XZBCZBYIRNUODX-UHFFFAOYSA-N 331.173 2.902 0 50 EFAA O=C(CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 339779923 HURMJMUBGPUQIW-LSDHHAIUSA-N 349.793 2.621 0 50 EFAA COC(=O)c1cnoc1CN1CC[C@@H](C)N(Cc2ccccc2)CC1 253417406 BCSREDBVMZXXLB-OAHLLOKOSA-N 343.427 2.558 0 50 EFAA Cn1nccc1[C@H](O)CNC(=O)Nc1ncc(C2CCCCC2)s1 930772024 GXXGBAZDDVYUQF-CYBMUJFWSA-N 349.460 2.779 0 50 EFAA Cn1ccc2ccc(NC(=O)N3CCOC[C@@H]3CC3CC3)cc2c1=O 931334571 AZHHIGGBHSBFSU-INIZCTEOSA-N 341.411 2.571 0 50 EFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC(O)(Cc2ccccn2)CC1 863947554 GOMUIHBSPPQRPL-YESZJQIVSA-N 328.456 2.804 0 50 EFAA Cc1csc([C@@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)C2)n1 874491542 ZKXOGKJBZHYQDB-LLVKDONJSA-N 327.413 2.661 0 50 EFAA CCN(CC)C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 952992498 VFYMAGVLRDZGSM-NSHDSACASA-N 332.370 2.858 0 50 EFAA OC[C@H](O)[C@@H](c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 1875274989 KOYDLTYMEDSBAD-HBMCJLEFSA-N 341.451 2.527 0 50 EFAA O=C(NCC(=O)N1CCC[C@H]1Cc1cccs1)c1ccccc1F 1875296050 XCBRINDWCUGCCK-ZDUSSCGKSA-N 346.427 2.851 0 50 EFAA Cc1cccc(NC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1875275429 RSGMZBVTXRELPY-UHFFFAOYSA-N 345.468 2.723 0 50 EFAA O=C(NCCCc1cnn(-c2ccccc2)c1)NCc1cccnc1 1875354594 KDEROHAATMUGLJ-UHFFFAOYSA-N 335.411 2.699 0 50 EFAA CCOC(=O)c1cnc(NC(=O)c2cnn(C(CC)CC)c2C)[nH]1 888094329 KIMVFWQBIJIJRI-UHFFFAOYSA-N 333.392 2.705 0 50 EFAA OCCn1ccc(Nc2nc(-c3ccccn3)nc3sccc23)n1 1306963169 YCQQHAJFIPIKHB-UHFFFAOYSA-N 338.396 2.686 0 50 EFAA C[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)CCN1c1ccccc1 890190409 PMGGRQQIPMSGHK-LLVKDONJSA-N 338.333 2.779 0 50 EFAA COc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(Br)c1O 23114910 FJHGLZCTEJNHPV-AOOOYVTPSA-N 330.222 2.773 0 50 EFAA C[C@@H](N=c1cc2n([nH]1)CCC2)C(=O)Nc1ccc(C(C)(C)C)cc1 2325772425 RFYIVJHAWQEXLW-CYBMUJFWSA-N 326.444 2.988 0 50 EFAA O=C(NCCc1cc(C(F)(F)F)ccn1)c1cnn(CC(F)F)c1 2325780109 HWNCEDHUVBNAQU-UHFFFAOYSA-N 348.275 2.535 0 50 EFAA CC(C)n1cnc(CNC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1 2325786594 FBPQCIZPQNYODQ-UHFFFAOYSA-N 341.390 2.934 0 50 EFAA CC[C@@](O)(C(N)=O)c1ccc(-c2cccc(C3(O)CCC3)c2)cc1 2325802107 IIMZNPGCYYAYKO-FQEVSTJZSA-N 325.408 2.808 0 50 EFAA Cc1cc(-c2cnc3c(N4CCC(O)CC4)nccn23)c(F)cc1O 2356143684 SATXPMORBXRYCL-UHFFFAOYSA-N 342.374 2.511 0 50 EFAA COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C(C)=O)c1 2862193 KUHDGIBJISANAC-UHFFFAOYSA-N 327.336 2.728 0 50 EFAA COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(C)cc1 2962905 PTYAMRGULHAXGK-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 4189471 YYKBOHQLPXYNTE-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA COc1ccc(NC(=O)c2ccco2)c(NC(=O)[C@H]2CCCO2)c1 4520021 RURZLHFVHQGXEN-OAHLLOKOSA-N 330.340 2.658 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnn(C2CCCC2)c1C 222038958 GKZFGXGDPANQGA-CLROSIBMSA-N 345.443 2.624 0 50 EFAA CCCN(Cc1ccccc1OC)Cc1ccccc1OCC(N)=O 55324833 VPKMWQBTLRYIFK-UHFFFAOYSA-N 342.439 2.972 0 50 EFAA CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 10494610 SRWKVQHNFNGIOJ-HUUCEWRRSA-N 330.428 2.839 0 50 EFAA CC(C)C[C@H](NC(=O)N1CCc2ccccc21)C(=O)Nc1cc[nH]n1 225547399 VIMSXAZUIWHJKU-AWEZNQCLSA-N 341.415 2.535 0 50 EFAA COc1ccccc1OCC(=O)Nc1ccc2oc(=O)ccc2c1 9970577 JFQAYSGDJRBPRS-UHFFFAOYSA-N 325.320 2.819 0 50 EFAA CCCc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)[nH]n1 55283215 QMRWSQKFMNVDLW-MRXNPFEDSA-N 328.416 2.579 0 50 EFAA Cc1nnc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)s1 101264890 NJKYDMUAGVMTHB-JTQLQIEISA-N 341.364 2.549 0 50 EFAA C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1nnc2ccccn12 117584853 VWAXVUBDVIDJOU-UONOGXRCSA-N 336.395 2.863 0 50 EFAA C=Cn1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(OC)cc4)c32)cn1 65385199 ZTZASTZHJYWAEI-CQSZACIVSA-N 335.367 2.856 0 50 EFAA CN(Cc1cnc2ccccc2n1)C(=O)CC[C@@H]1CCCCN1C 65422733 UAFKHOIIZQSTFB-INIZCTEOSA-N 326.444 2.853 0 50 EFAA CCCCn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1=O 229688709 PLLVSWPJFHTYSC-ZXYWRSMDSA-N 331.460 2.988 0 50 EFAA CC(=O)Nc1cccc(C(=O)NCC[C@@H]2CCCN(C(C)C)C2)c1 67805206 WZUWTJHPDAWUCV-INIZCTEOSA-N 331.460 2.885 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@H]1c2ccccc2C[C@@H]1O 120410470 CUCSLMHQYBXZOI-JSGCOSHPSA-N 337.301 2.880 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CNC(=O)c1ccsc1 252498747 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2.843 0 50 EFAA C[C@@H](C1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1)N1CCCC1 72432039 ZIHVUZKOFVCQNL-AWEZNQCLSA-N 334.435 2.797 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(c3ncnc4c3CCC4)C2)c1 77322358 KUYXRHVPPCOCCH-CYBMUJFWSA-N 325.412 2.976 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)c2cccc(CC3CCNCC3)c2)CC1 72132086 FUNTUCZWHSWCRB-FQEVSTJZSA-N 343.515 2.785 0 50 EFAA NC[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 333646451 JAYAWJODNLQVRH-CPUCHLNUSA-N 341.459 2.927 0 50 EFAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)nn1 72437713 PSCMDVHEHFQYFF-UHFFFAOYSA-N 348.362 2.929 0 50 EFAA CCOC(=O)c1cnc2c(cnn2C)c1NCC1(O)CCCCCC1 128556001 ZWOXYLNHFFGFBE-UHFFFAOYSA-N 346.431 2.642 0 50 EFAA Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)c2)no1 237810017 ZKXIUMMCCQONBR-ZDUSSCGKSA-N 343.383 2.762 0 50 EFAA CCN(C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)C1)c1ccncc1 374201877 MHHCFFXQKUQRRH-KRWDZBQOSA-N 337.423 2.873 0 50 EFAA Cc1ccc(F)c(-c2cc(NC(=O)c3occ4c3CCOC4)n[nH]2)c1 377336694 VOJAQLYKOPJIAR-UHFFFAOYSA-N 341.342 3.442 0 50 EFAA O=C(c1cccc(CO)n1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72475988 RLCOKFLSBMPUOZ-INIZCTEOSA-N 340.358 2.567 0 50 EFAA O=C1CCCCN1CC1CCN(CCc2ccc3c(c2)CCO3)CC1 173446554 WUBSBENZUDTYGW-UHFFFAOYSA-N 342.483 2.889 0 50 EFAA Cc1noc(C)c1C(=O)N[C@H](CC(C)C)c1nnc2ccccn12 223214233 FASWVMSFKNTCLO-CYBMUJFWSA-N 327.388 2.851 0 50 EFAA CC(=O)Nc1cccc(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1 241926449 UGGWWYDKERMTDK-LBPRGKRZSA-N 349.431 2.630 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(Cc3cccc(F)c3F)C2)nn1 284929616 DAQCQISHZPUBEG-KRWDZBQOSA-N 336.386 2.621 0 50 EFAA CSCc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)o1 82039570 FZOHYFCMJZYNBO-UHFFFAOYSA-N 347.440 2.554 0 50 EFAA O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@H]1COc2ccccc21 174808627 UHBBNJZFLACBPT-AWEZNQCLSA-N 349.346 2.920 0 50 EFAA CN(C1CCC(F)(F)CC1)S(=O)(=O)c1cccc2c1OCCO2 287433240 NALLDEGXUYJDRW-UHFFFAOYSA-N 347.383 2.656 0 50 EFAA Nc1nc(CCNC(=O)CSCc2ccccc2Cl)cs1 223280492 CPHQOUINOSTDFO-UHFFFAOYSA-N 341.889 2.971 0 50 EFAA CN(C(=O)c1ccccc1N1CCOCC1)C1Cc2ccccc2C1 223429480 JHKMUTCZLGKIIW-UHFFFAOYSA-N 336.435 2.763 0 50 EFAA CC[C@@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccc(F)cc1 426435085 XUNGXFQDGJMTOK-OAHLLOKOSA-N 349.406 2.903 0 50 EFAA CCCc1nc(-c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)co1 289133459 NHNVCNKMBAJAOT-GFCCVEGCSA-N 330.388 2.793 0 50 EFAA Cc1ccccc1SC1CCN(C(=O)CCc2nncn2C)CC1 82087400 KALFGRVBOBEWGI-UHFFFAOYSA-N 344.484 2.839 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCC[C@H](c4nccn4C)C3)cc2c1 82092608 QKEPUSGJTYIFEU-ZDUSSCGKSA-N 338.411 2.930 0 50 EFAA CNCc1nnc(SC[C@H]2CCCO2)n1-c1cccc(Cl)c1 426376300 JODSHLYSBKDYJK-CYBMUJFWSA-N 338.864 2.911 0 50 EFAA O=C(CCn1ccc(C(=O)NC2CCCCC2)n1)NC1CCCCC1 20617674 VDXMXXUTQBMXBK-UHFFFAOYSA-N 346.475 2.785 0 50 EFAA CCC1=NO[C@@H](CNC(=O)Nc2cccc(-c3nc(CC)no3)c2)C1 97632019 YHLBJKJNQXNHSI-CQSZACIVSA-N 343.387 2.975 0 50 EFAA c1cc2c(cc1CCSc1nnc(N3CCOCC3)s1)CCO2 266029786 RMLYJOMGDSCBDQ-UHFFFAOYSA-N 349.481 2.644 0 50 EFAA CCCN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCNC1 178908117 SFLNRPKOOCZRBI-INIZCTEOSA-N 340.427 2.828 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)CCc3ccc(Cl)cc3)C2)C1=O 91416581 GXKIMMOPWPBWMI-SFHVURJKSA-N 334.847 2.744 0 50 EFAA Cc1nc(C)n(CCCNC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 91550404 UZQYLCDNDRXVBQ-NSHDSACASA-N 332.473 2.901 0 50 EFAA O=C1CC[C@H](CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)N1 91486491 MQVCMEOXXGLZSG-LJQANCHMSA-N 348.446 2.874 0 50 EFAA CC(C)N(C(=O)c1ccccc1-c1ccc(NCCO)nn1)C(C)C 97797472 HBHPUNOSMRNLGQ-UHFFFAOYSA-N 342.443 2.807 0 50 EFAA O=C1CCC2(CCN([C@H]3CCCNC3)CC2)CN1Cc1ccccc1 91877045 FZPHQZYXWHNQOP-IBGZPJMESA-N 341.499 2.643 0 50 EFAA O=C(Nc1cccc(-n2cncn2)c1)N1CCCC2(CCOCC2)C1 95526177 CQNFMGMTNPOPOA-UHFFFAOYSA-N 341.415 2.692 0 50 EFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 162779403 FDWVLLSMCXZYNW-NUEKZKHPSA-N 342.464 2.981 0 50 EFAA Cc1ncsc1C(=O)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 244873114 WKHQMPNLBVOTJH-BETUJISGSA-N 343.456 2.518 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)Cc1cc2c(cc1Cl)OCCO2 244900138 ZWRDVILGFZPEEV-ZDUSSCGKSA-N 339.819 2.681 0 50 EFAA Cc1cc(C)n(-c2ccccc2CN(C)C[C@H](C)N2CCOCC2)n1 244723867 MIYGUMIXYWVWRM-SFHVURJKSA-N 342.487 2.642 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc(CO)cc1 244773787 PGOGWOPWLDJADL-BPQIPLTHSA-N 329.371 2.560 0 50 EFAA Cc1ccc2oc(N3CCN(CCCn4ccnc4)CC3)nc2c1 182753830 LQEJJSGCYCKAHW-UHFFFAOYSA-N 325.416 2.545 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 299742438 IAOYTNYLZXQHTM-GFCCVEGCSA-N 325.792 2.822 0 50 EFAA CCc1ccccc1OC1CN(C(=O)NCc2ccnc(C)c2)C1 534639203 PDFGACKEGGZZOH-UHFFFAOYSA-N 325.412 2.925 0 50 EFAA CCCNC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263619591 ZLDKFVBFTRVUGZ-UHFFFAOYSA-N 338.407 2.748 0 50 EFAA CCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)cc2)n1 299760509 UZGHGSSJTFDLHF-OAHLLOKOSA-N 341.415 2.611 0 50 EFAA COc1c(C)cc(NC(=O)NCCSc2nccn2C)cc1C 299762522 MVUJJHXEYDGJQL-UHFFFAOYSA-N 334.445 2.959 0 50 EFAA O=C(COCC(F)(F)C(F)F)NCc1ccc2ncccc2c1 299795002 LFBYSFKNEMBUQJ-UHFFFAOYSA-N 330.281 2.768 0 50 EFAA CC(C)c1nc(CNC(=O)c2cc(O)nc3cc(F)ccc23)no1 826607749 JGICJRVEFBPRQG-UHFFFAOYSA-N 330.319 2.516 0 50 EFAA COc1ccc(CCN(Cc2ccccc2F)S(C)(=O)=O)cc1 586105653 FOAQLCZTUKLHMO-UHFFFAOYSA-N 337.416 2.839 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)CCC(=O)N2CCCCCC2)n1 584891682 XEDSAVCPSJYQKB-CYBMUJFWSA-N 336.436 2.553 0 50 EFAA CCOc1ccc([C@@H](CC)NS(=O)(=O)c2c(C)n[nH]c2C)cc1 670473431 HJMHFYKEPWSMLB-OAHLLOKOSA-N 337.445 2.855 0 50 EFAA c1ccc(CO[C@H]2COCC[C@@H]2N=c2cc[nH]c3ccccc23)nc1 1565511877 BLZMBHCCGFUBFC-PMACEKPBSA-N 335.407 2.838 0 50 EFAA CN(C)c1nsc(N[C@H]2[C@H](Cc3ccccc3)[C@@H]3OCC[C@H]23)n1 1565511458 QMFHGIGZNCTTTC-LXTVHRRPSA-N 330.457 2.662 0 50 EFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 408501236 QHWGOVWHAFBFHM-AWEZNQCLSA-N 335.425 2.563 0 50 EFAA Cc1cc(F)ccc1-c1ccc(C(=O)N[C@]2(CO)CCOC2)cc1F 185287408 OQCXIMHBKDCYOR-IBGZPJMESA-N 347.361 2.821 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC(Cn2cncn2)CC1 275210767 FPQJYBVLXJMZTO-UHFFFAOYSA-N 343.818 2.965 0 50 EFAA Cc1cnc(C)c(N2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 277450314 PGJFTOFXJFTTMI-MRXNPFEDSA-N 348.491 2.726 0 50 EFAA O=C(c1ccccc1)c1c(N2CCOCC2)[nH]c(=O)c2ccccc12 170621303 IGPZNSODGJYJID-UHFFFAOYSA-N 334.375 2.596 0 50 EFAA COc1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)c(C)c1F 170610509 WVKDIXBIGWFOGK-UHFFFAOYSA-N 325.361 2.673 0 50 EFAA Cc1nnc([C@H]2CN(c3ncccc3Br)C[C@@H](C)O2)o1 664499957 HEPUVGGHGQIBHH-LDYMZIIASA-N 339.193 2.502 0 50 EFAA CC(C)C[C@]1(CO)CCCN1C(=O)Nc1ccc(-n2cccn2)nc1 189547698 XCTDCHJIRKMUIH-SFHVURJKSA-N 343.431 2.672 0 50 EFAA Cn1nccc1[C@@H]1COCCN1C(=O)Nc1ccc2ccccc2n1 640508644 BXGACDZYVPOSAW-INIZCTEOSA-N 337.383 2.574 0 50 EFAA CCn1cc([C@@H]2CN(CC(=O)Nc3cccc(C)c3C)CCO2)cn1 190813065 GKKUWBGXAGDMAL-SFHVURJKSA-N 342.443 2.532 0 50 EFAA CC1=CCN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)CC1 644404846 CQBSYBPHCDWQFU-HXUWFJFHSA-N 328.456 2.582 0 50 EFAA O=C(O)c1cccc(OCCN2CCO[C@@H](c3cccc(F)c3)C2)c1 652408605 FJNHOVWJPVZDCA-GOSISDBHSA-N 345.370 2.976 0 50 EFAA C[C@@H](NC(=O)Nc1ccn2ccnc2c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653545115 TTXRYIVHWINBIY-KGYLQXTDSA-N 330.388 2.591 0 50 EFAA Brc1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)cc1 655819150 JGRVBZQYDNOVPD-GFCCVEGCSA-N 337.221 2.709 0 50 EFAA CNC(=O)[C@@H](NC(=O)N1CCC[C@H]1c1c(C)cccc1C)C(C)C 660934721 FOOIHBIFIGFCRW-RDJZCZTQSA-N 331.460 2.921 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 779857267 UNVYUXXKPZQSKT-KLHDSHLOSA-N 333.432 2.883 0 50 EFAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(N[C@H]1CCCn3ncnc31)C2 246005644 SIWLSWPMNWPGFN-KKUMJFAQSA-N 347.463 2.633 0 50 EFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc(N2CCCCC2)cc1 1457882154 ZYEIDWDZGWYSLO-INIZCTEOSA-N 327.472 2.986 0 50 EFAA Cc1cc(C[C@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@@H]2O)on1 1615736571 MCBQBERQJUZMBK-YJBOKZPZSA-N 346.402 2.507 0 50 EFAA c1csc(Cc2nc(CNC3CSCCSC3)no2)c1 1506427450 MOWJTRHZTSCBTE-UHFFFAOYSA-N 327.500 2.660 0 50 EFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)c1[nH]cnc1C 1529187297 RGHUQGFKCOEWJX-UHFFFAOYSA-N 325.372 2.688 0 50 EFAA CCc1ccc(CCC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1 1704300154 WLMVBYVNPIKKCZ-FGTMMUONSA-N 328.456 2.555 0 50 EFAA CCc1ccccc1OCCN(CC)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704312432 BCWNBIYBGCGYDP-ZIFCJYIRSA-N 349.471 2.652 0 50 EFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCC[C@H](C2(O)CC2)C1 1772812763 QDXCSWCBEHLQAD-NSHDSACASA-N 346.814 2.559 0 50 EFAA N[C@H](Cc1ccccc1)c1nnc(NCCCCN2CCCC2)o1 1772708735 JARBZYMGYFEESM-MRXNPFEDSA-N 329.448 2.600 0 50 EFAA O=C(COc1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 5439881 FHPKPYZEBNLHIU-UHFFFAOYSA-N 328.343 2.970 0 50 EFAA Cc1n[nH]cc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 11663935 QYUFECOIQGZHQL-UHFFFAOYSA-N 335.411 2.680 0 50 EFAA O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)C1CCCCC1 12073449 GTKWQNIWCHLXFP-KRWDZBQOSA-N 332.419 2.666 0 50 EFAA Cc1ccc(CNC(=O)CN2CCN(c3ccccc3F)CC2)cc1 16474624 ZCEIDPXXJDBPIK-UHFFFAOYSA-N 341.430 2.573 0 50 EFAA CC[C@@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 16661362 HFZYQQJVTWBKGB-LLVKDONJSA-N 327.409 2.951 0 50 EFAA COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 18093906 JYOLHCCZHZNJSD-UHFFFAOYSA-N 341.392 2.663 0 50 EFAA O=C(COc1ccccc1)Nc1ccc(CN2CCOCC2)cc1 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BXKNPCHYEMJIKW-CQSZACIVSA-N 335.429 2.598 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cccc(F)c1F 858008449 SAXOFBMARULFLO-XHDPSFHLSA-N 335.354 2.596 0 50 EFAA C[C@]1(C(F)(F)F)CCN(C(=O)Cc2nnc(O)c3ccccc23)C1 874489805 VFXNUUXQWHLAPQ-HNNXBMFYSA-N 339.317 2.679 0 50 EFAA c1cncc(-c2nc3ccccc3c(=NC[C@@H]3CC4(CC4)CN3)[nH]2)c1 1875282264 VOYZMWNDZHVJOI-HNNXBMFYSA-N 331.423 2.668 0 50 EFAA Clc1cnc(CNC2CCN(c3cccnn3)CC2)c(Cl)c1 1875284936 WLJQSYNOEDZEHJ-UHFFFAOYSA-N 338.242 2.937 0 50 EFAA C[C@@H](NC(=O)/C=C/CN(C)C)c1nnc(-c2ccccc2F)s1 1875376958 NZKLDCXOSDPUQM-OALRPVAKSA-N 334.420 2.639 0 50 EFAA Cc1c(C(=O)N2CCN(C(=O)C3CC3)[C@H](C)C2)cnc2ccccc12 1875345212 VWDXNJYQGFXDBT-CYBMUJFWSA-N 337.423 2.626 0 50 EFAA CCn1nccc1C1CCN(C[C@@H]2CCO[C@H]2c2nccn2C)CC1 886087871 AGCFLVNHNVQVPV-FUHWJXTLSA-N 343.475 2.594 0 50 EFAA CCc1ccc(F)cc1C(=O)NCCc1nc[nH]c1Br 1775987273 JKSHFOSAIQPFMJ-UHFFFAOYSA-N 340.196 2.846 0 50 EFAA CN(C[C@H]1CC=CCC1)S(=O)(=O)c1cncc(Br)c1 330858473 UWKRAUNEYYIIIJ-NSHDSACASA-N 345.262 2.821 0 50 EFAA Cc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1Cl 4512141 HTHUZTXFJZSJCQ-NSHDSACASA-N 333.862 2.507 0 50 EFAA COc1cccc(CN2CCC([C@@H]3OCC[C@H]3C(=O)O)CC2)c1C 2325787188 IGJUYMRJCQBBLJ-AEFFLSMTSA-N 333.428 2.705 0 50 EFAA NCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 2325795897 CYHUOZBXJWZVBC-TZMCWYRMSA-N 332.835 2.978 0 50 EFAA Cc1nc(O)c2nc(C(=O)NC[C@@]3(C)CCCC3(F)F)ccc2n1 2325796464 RWZYQSAECWAWGQ-OAHLLOKOSA-N 336.342 2.594 0 50 EFAA C[C@@H](CCCC(=O)N1C[C@@H]2CN(C)CC[C@]2(CO)C1)c1ccccc1 2325816015 CSBVNWIJUKPFAQ-HFSMHLIXSA-N 344.499 2.733 0 50 EFAA Cc1nc2ccc(C(=O)NCc3c[nH]c4ccccc34)cc2n(C)c1=O 2325822632 FQDLARUFGYPQSU-UHFFFAOYSA-N 346.390 2.653 0 50 EFAA Cc1ccccc1-n1nccc1NC(=O)c1ccc2c(c1)OCCNC2 2325857693 MBSOSGUEVRZODX-UHFFFAOYSA-N 348.406 2.915 0 50 EFAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccc2c(OC)n1 247043542 VPIUIUQIMYTSHR-HOTGVXAUSA-N 339.439 2.942 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 80156 KWDWLDLPDOSPCZ-LBPRGKRZSA-N 336.388 2.619 0 50 EFAA CC1=NN(C(=O)C(C)C)[C@](O)(c2ccc(Br)cc2)C1 108367 RSMMIOMJVUYICO-CQSZACIVSA-N 325.206 2.858 0 50 EFAA O=C(CCSCCC(=O)Nc1nccs1)Nc1nccs1 2054376 UPZNJPSIKGETQP-UHFFFAOYSA-N 342.471 2.690 0 50 EFAA Cc1c([C@H](O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 2159902 CBWIRKNOTYTLFV-NSHDSACASA-N 335.618 2.888 0 50 EFAA Cc1cc(C)c2c(n1)nn1c(NCCCn3ccnc3)cc(C)nc21 2443067 QFYDYEWOLWUWAN-UHFFFAOYSA-N 335.415 2.901 0 50 EFAA O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2868633 ZNOQKTISPDTXGP-UHFFFAOYSA-N 349.408 2.811 0 50 EFAA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Br 4841165 XFJRPMASLNDKMN-UHFFFAOYSA-N 332.157 2.871 0 50 EFAA COc1cc(C2(C(=O)N=c3nc[nH]n3C(C)C)CCC2)ccc1C 412916690 DPMIIQRMXRUPPE-UHFFFAOYSA-N 328.416 2.658 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCCC2=O)cc1Cl 55108089 JDMVQXUZXFACPW-SNVBAGLBSA-N 337.807 2.638 0 50 EFAA COC[C@@H](NC(=O)NCc1ccsc1Br)C1CC1 225759248 XSRIIGDUQRLEPS-SNVBAGLBSA-N 333.251 2.735 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccccc1OCc1ccccn1 343833980 RNEBXQWJDFSSHX-RBUKOAKNSA-N 342.439 2.896 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1cc(C(C)C)on1)C2 67947463 RZZDENAISIRUKY-CYBMUJFWSA-N 346.431 2.702 0 50 EFAA CCN(C(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 67834006 CHGRCNPLTPSVAH-ZDUSSCGKSA-N 349.408 2.721 0 50 EFAA O=C(NCCCc1nc2ccccc2[nH]1)c1cnnn1-c1ccccc1 67604422 PLVJKPCEKURSCL-UHFFFAOYSA-N 346.394 2.506 0 50 EFAA C/C=C/CC(=O)NC[C@@H]1CCCN(Cc2cccc3nonc23)C1 67818997 SMKGPGMDVBVXGY-HSWBROFVSA-N 328.416 2.517 0 50 EFAA O=C(NCCC[C@@H]1CCC[C@H]1O)c1cc(F)cc2nc(S)[nH]c12 134827693 KNIWNUIQLJYZNY-TVQRCGJNSA-N 337.420 2.662 0 50 EFAA Cc1ccccc1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O 22609025 XAAGVPJGNURVTM-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA Cc1noc(C)c1CN1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 229375756 OGJFXROJTVJSDU-IFXJQAMLSA-N 329.444 2.531 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](CO)Cc1ccccc1 120048705 YISXGOVVIHPRNT-YJBOKZPZSA-N 340.423 2.585 0 50 EFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN2CCCC[C@@H]12 229816512 CYEFEZVMEPKYII-HOTGVXAUSA-N 345.443 2.574 0 50 EFAA C[C@@H]1Oc2c(cccc2C(=O)NCCO[C@@H]2CCCC[C@H]2C)NC1=O 229892003 NKTBUWROMOVSEY-DVOMOZLQSA-N 346.427 2.731 0 50 EFAA COc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c(OC)c1 212283 FFOXUMWZCBRROC-QGZVFWFLSA-N 346.471 2.928 0 50 EFAA CN(CCC1OCCO1)CC(=O)Nc1ccc(Cl)c(Cl)c1 123747848 JJBXYLGNYAIWNT-UHFFFAOYSA-N 333.215 2.627 0 50 EFAA Cc1cccc(CCNC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1 252507577 WOUJGDBRNWVTTA-WQANXHIZSA-N 345.487 2.904 0 50 EFAA O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(c2ccncc2)CC1 12307483 NWLYTFJRPFMNLW-LJQANCHMSA-N 349.434 2.841 0 50 EFAA NC1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)CC1 72130943 ORCHUXKAQFYWBZ-UHFFFAOYSA-N 349.438 2.844 0 50 EFAA CN(C)C(=O)c1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)[nH]1 328626525 LUNUCWLPOSGHRI-CRAIPNDOSA-N 327.428 2.584 0 50 EFAA Cc1c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)sc2cccc(F)c12 330748423 VLTWUUVIRWVZNH-SECBINFHSA-N 343.445 2.854 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](CC2CCCCC2)C1 12596054 XEPCLYYMLZPHNU-OAHLLOKOSA-N 342.461 2.651 0 50 EFAA CNCC1CCN(C(=O)/C=C/c2ccccc2Br)CC1 152267616 VMWWPZMRVUBSJS-VOTSOKGWSA-N 337.261 2.920 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H]1Cn1cccn1 257365650 DLHSRDCNGNGWIC-XHSDSOJGSA-N 344.463 2.542 0 50 EFAA Cc1nc2ccc(NC(=O)NCc3nnc4n3CCCCC4)cc2o1 126284348 YDJZLUFODXLKAF-UHFFFAOYSA-N 340.387 2.776 0 50 EFAA CCOC(=O)C[C@@H](C)Nc1nc(C2CCCC2)nc2c1cnn2C 72140193 NLXJFYXONIWIRU-LLVKDONJSA-N 331.420 2.775 0 50 EFAA O=C(NCCC1(CO)CC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 456434258 NONLJHVEUSKYRQ-UHFFFAOYSA-N 342.317 2.959 0 50 EFAA CC1=CC[C@@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)C[C@@H]2C1 72120942 PCMCJTVASPWKOL-MSOLQXFVSA-N 332.469 2.578 0 50 EFAA O=C(c1nc2ccccc2[nH]1)N1CCc2nc(-c3cccnc3)[nH]c2C1 215339438 WIZFCEPUQRPJAF-UHFFFAOYSA-N 344.378 2.547 0 50 EFAA Cn1ccnc1Sc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1 339134501 DWLXPCURVMAOPD-UHFFFAOYSA-N 340.408 2.522 0 50 EFAA c1cncc(-c2nc3c(c(N4Cc5ccccc5C4)n2)CCNCC3)c1 72418260 XMMSCBYQPSCFJV-UHFFFAOYSA-N 343.434 2.747 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCC[C@H]1CN1CCOCC1 241316738 LUNAQSFPYOGVKH-IPMKNSEASA-N 328.456 2.503 0 50 EFAA Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)c1ccccn1 339230092 FCNSFKRKJDXTBS-OAHLLOKOSA-N 325.412 2.969 0 50 EFAA Cc1ncc(C(=O)N2CCN(Cc3ccc(C)c(C)c3)C(=O)C2)s1 77354690 GBTKORREJWFEKC-UHFFFAOYSA-N 343.452 2.553 0 50 EFAA O=C1[C@H]2COCCN2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 373145171 KBEJGXZDHFWURI-SNVBAGLBSA-N 334.681 2.526 0 50 EFAA COC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)C1 496043217 OFDNNSYZVRWOLT-UKRRQHHQSA-N 340.464 2.565 0 50 EFAA CC(C)(C)c1nc(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)no1 72165004 UORLOKLJFRVMSR-AWEZNQCLSA-N 342.443 2.531 0 50 EFAA COCCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O 373638878 NAWZTNSKSJVWOY-IBGZPJMESA-N 338.407 2.792 0 50 EFAA O=C([C@H]1CCOC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72476013 GROBRLRYFMHQDH-LBPRGKRZSA-N 343.345 2.552 0 50 EFAA O=C(O)[C@@H](CNC(=O)[C@@H]1CCCOC1)Cc1ccc2ccccc2c1 238175423 IPDWKERTZBATEN-QZTJIDSGSA-N 341.407 2.626 0 50 EFAA CC(=O)c1ccc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cc1 263007886 WYAVIWLFFXPECS-ROUUACIJSA-N 337.375 2.830 0 50 EFAA COc1c(C)cnc(CN(C)Cc2cn(-c3ccccc3)nn2)c1C 72136974 VWPDGFJIBNJASJ-UHFFFAOYSA-N 337.427 2.920 0 50 EFAA CC(C)n1cc(C(=O)N2CCC(OCc3cccnc3)CC2)cn1 77426906 FINOQGPJPSYMRI-UHFFFAOYSA-N 328.416 2.680 0 50 EFAA C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1(=O)=O 173625422 QYNYSLQROBDQEL-ODIFPOPNSA-N 335.469 2.606 0 50 EFAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1c(F)ccc(Cl)c1F)C2 222415477 JJZGZSQVAQFOHN-FTJFQDGESA-N 342.817 2.959 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@]3(C)C(=O)O)c2)cc1 263456753 PFZIXWXFXVBULQ-LJQANCHMSA-N 340.379 2.837 0 50 EFAA CC(C)c1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1 82086963 PMZXGFRQLFCAKF-UHFFFAOYSA-N 341.415 2.592 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccncc1 220023998 NSIFPUZNRDDEDS-GXOAENINSA-N 333.391 2.872 0 50 EFAA Cc1ncsc1CCCNC(=O)N(C)Cc1ccc2c(c1)OCO2 426705536 BWILUAZWZPPYBX-UHFFFAOYSA-N 347.440 2.954 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(F)cc2C)C2CC(O)C2)cn1 223843590 KJRSSNZRMRTSFN-LEHRNKBSSA-N 344.386 2.780 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCc1ccc2c(c1)CCCO2 82134497 IMHFBXVLRRYVQT-UHFFFAOYSA-N 327.428 2.611 0 50 EFAA CNC(=O)CCc1cccc(NC(=O)NCCSC(F)(F)F)c1 426497540 YOHGUMQQOHJMFQ-UHFFFAOYSA-N 349.378 2.740 0 50 EFAA CC(C)c1noc([C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCCC3)n1 426489572 DBVOLCSZCYZIBD-NSHDSACASA-N 346.435 2.698 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)NCc1cc(C2CC2)n[nH]1 426596664 VZAWNCGTYQLKKV-UHFFFAOYSA-N 342.428 2.633 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)CCC3)n[nH]1 161778119 QVXPZKGAFIEZDW-LLVKDONJSA-N 326.400 2.990 0 50 EFAA OC1(Cn2ccnc2)CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 97819466 NLMKIECXZQVLRI-QGZVFWFLSA-N 345.443 2.745 0 50 EFAA COC(=O)N1CCCc2cc(NC(=O)N3CCSCC3)ccc21 95504647 VMZJOKQORGLVRM-UHFFFAOYSA-N 335.429 2.786 0 50 EFAA Cc1nc2c(s1)[C@@H](N(C)C(=O)CCC(=O)c1cnn(C)c1)CCC2 239672772 BVEGPYAMOVVZAA-AWEZNQCLSA-N 346.456 2.684 0 50 EFAA Cc1nc(C)n(CCCNC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 91550405 UZQYLCDNDRXVBQ-LLVKDONJSA-N 332.473 2.901 0 50 EFAA COCC1(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)CCC1 91943528 RJTHVQSKPMEQOE-OAHLLOKOSA-N 331.412 2.593 0 50 EFAA O=C(N1CCC([C@@H]2CCNC2)CC1)C1(c2ccccc2)CCOCC1 290147911 NCDWSNWWVCRWKK-GOSISDBHSA-N 342.483 2.583 0 50 EFAA CC[C@H]1C(=O)NCCN1C(=O)c1c(C)c(C)nc2ccc(C)cc12 95520095 BRTKAGVHEXUSOM-INIZCTEOSA-N 325.412 2.511 0 50 EFAA O=C(Nc1ccccc1N1CCCC1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230125873 NKXZJLFJPJOUAZ-AFIMGQEJSA-N 329.444 2.815 0 50 EFAA CNc1cc(-c2nc(CCSC)nn2-c2ccccn2)ccn1 96164525 JYYVLZLHSNNOIZ-UHFFFAOYSA-N 326.429 2.672 0 50 EFAA CNCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 92061729 KOYWMAKOTVIYPU-INIZCTEOSA-N 326.444 2.530 0 50 EFAA CCCc1cc(CN(C)C(=O)[C@H]2COc3cc(OC)ccc3C2)n[nH]1 91858120 IVKLHLLZKYYXQO-CQSZACIVSA-N 343.427 2.581 0 50 EFAA COc1cc(C)cc([C@H](C(=O)O)N(C)Cc2ccncc2C)c1OC 95529987 DDKDFFXJQIIHTP-QGZVFWFLSA-N 344.411 2.973 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)CN2CC3(CCCC3)CC2=O)c1 95502100 XJCIOKIAWGXIGT-QGZVFWFLSA-N 342.439 2.761 0 50 EFAA C[C@@H](NCCn1c(=O)oc2cccnc21)c1cccc(OC(F)F)c1 179579419 BKYLRLPIZCGAFM-LLVKDONJSA-N 349.337 2.942 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cc(C)oc2C)[C@H]2C[C@@H](O)C2)cn1 243885595 AASZPUPIZAEDMP-JKIFEVAISA-N 330.384 2.542 0 50 EFAA COc1ccc(CCN(C)Cc2noc([C@H]3CCCO3)n2)cc1OC 244708031 KMHOYZMUHJUINW-OAHLLOKOSA-N 347.415 2.613 0 50 EFAA COc1cncc([C@H](NC(=O)c2ccccc2C)[C@H]2C[C@@H](O)C2)c1 243893400 AQVZPIIOLRPZGE-QIIPPGSGSA-N 326.396 2.641 0 50 EFAA Cc1noc(C)c1CC(=O)N1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 180315279 WVMFBUITMJKSBZ-JKSUJKDBSA-N 342.395 2.551 0 50 EFAA CN(Cc1ccccc1F)C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 294160855 BGVDOQIHUHHAIC-XKQJLSEDSA-N 348.418 2.502 0 50 EFAA O=C(O)c1cccc(NS(=O)(=O)C[C@H]2CCCCC2(F)F)c1 296990916 QBDRHYDARVIVQF-LLVKDONJSA-N 333.356 2.952 0 50 EFAA c1ccc(N2CCC(NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1 534673453 LDIFWNWYDYCCEX-UHFFFAOYSA-N 334.427 2.625 0 50 EFAA C[C@@H]1CCCCN1CCNC(=O)N1CCC(c2ccncc2)CC1 534590124 XXFPEPHTJBLJBG-MRXNPFEDSA-N 330.476 2.845 0 50 EFAA Cc1n[nH]c(C)c1CCN1CCN([C@H]2CCc3ccccc3C2)CC1 299760142 SBBCBMGWDGDZFV-FQEVSTJZSA-N 338.499 2.744 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc2c1CCC2=O 670437002 BLQQLOBUWSTJGZ-HNNXBMFYSA-N 348.446 2.992 0 50 EFAA C[C@@H](CCC(=O)Nc1ccc2scnc2c1)N1CCN(C)CC1 952977413 JXLKLEVKNFQYQD-ZDUSSCGKSA-N 332.473 2.651 0 50 EFAA Cc1cc(C)c(S(=O)(=O)NCc2ccccc2)c(C)c1CC(=O)O 303573363 JMIKCDUCQDIVNH-UHFFFAOYSA-N 347.436 2.717 0 50 EFAA COc1cccc(F)c1NC(=O)N1CCC(c2ccnn2C)CC1 186134245 FSJUCQSLQMPNPU-UHFFFAOYSA-N 332.379 2.979 0 50 EFAA CCOC(=O)N1CCC[C@@H](C(=O)Nc2sc(CC)nc2C)C1 170601193 MFBSWVFGEVTFPO-LLVKDONJSA-N 325.434 2.821 0 50 EFAA CCOC(=O)c1csc(C2CCN(Cc3cc(C)on3)CC2)n1 191575967 CXBKLJCNHXEZQF-UHFFFAOYSA-N 335.429 2.996 0 50 EFAA O=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CC(CO)C1 681352632 XBPGNIFWYZNBCE-UHFFFAOYSA-N 333.391 2.604 0 50 EFAA CCn1cnc2c(N[C@@H](Cc3ccccc3)c3nccn3C)ncnc21 651432927 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EFAA O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC1CCCC1 16652299 FVTLHNHIJLTOHC-AWEZNQCLSA-N 338.411 2.567 0 50 EFAA COC(=O)c1ccccc1NC(=O)CSc1nc(CC(C)C)n[nH]1 18116907 ATVWMUGZQLFLCN-UHFFFAOYSA-N 348.428 2.521 0 50 EFAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 169752332 PSTBTKUKUONHQB-OAHLLOKOSA-N 338.411 2.777 0 50 EFAA COc1cnc(C)cc1C(=O)NCCc1nccc(-c2ccccc2)n1 1857678882 UAIXESMGXOIIGQ-UHFFFAOYSA-N 348.406 2.828 0 50 EFAA O=C(c1cccc(Cl)c1)N(Cc1cncnc1)[C@@H]1CCCNCC1 435404781 GKDORDFDMJWOGR-QGZVFWFLSA-N 344.846 2.915 0 50 EFAA C[C@H](O)[C@@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CCO1 332620253 DUXKAJWSYGPZFQ-AAEUAGOBSA-N 339.461 2.804 0 50 EFAA CCOc1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)on2)c1 241231288 KTRJVYWKDDVIBF-UHFFFAOYSA-N 345.380 2.936 0 50 EFAA Cc1ccnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1 242106290 WILZDKADGIMDPP-UHFFFAOYSA-N 342.418 2.765 0 50 EFAA CC[C@@]1(C(=O)Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)CCCN1 134461446 VVWKFDOHZYCFSD-SFHVURJKSA-N 325.416 2.820 0 50 EFAA CCOC[C@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)C(C)C 252492488 MNONNMKTKAUVGP-INIZCTEOSA-N 345.447 2.703 0 50 EFAA Cc1cc(C)nc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c1 155205390 QNUKOPXQVIEVGK-INIZCTEOSA-N 338.411 2.727 0 50 EFAA C[C@H]1C[C@@H](CN2CCC(n3c(O)nc4cccnc43)CC2)CCO1 952884056 SPMJNIKTGVNCAS-KBPBESRZSA-N 330.432 2.589 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)NCc1cnc(C(C)C)[nH]1 952995704 WBQSHNUYJLQGDS-UHFFFAOYSA-N 325.372 2.822 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(c4ccccc4F)C3)n[nH]c21 1875293424 PUTHONVRNJNBKE-NEPJUHHUSA-N 343.402 2.985 0 50 EFAA Cc1oncc1C(=O)NC1([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H]2C)CC1 1875335648 ATSADERXRHJGIZ-XPKDYRNWSA-N 345.443 2.673 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(=O)N[C@H]2CC[C@@H]21 1875307637 HDOHBURISPFQNC-RDJZCZTQSA-N 336.395 2.552 0 50 EFAA O=C(N[C@@H](CCO)C1CCCC1)c1cncnc1-c1ccccc1 889110717 CZDORYTWGAEHLD-KRWDZBQOSA-N 325.412 2.815 0 50 EFAA Cc1ccc(Br)c(CNC(=O)NC2CC(CCO)C2)c1 895362010 IQKZKBXWYJLXRN-UHFFFAOYSA-N 341.249 2.718 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC2(CCN(Cc3cnc[nH]3)CC2)O1 1775987776 HKZGNEZKBUWQRP-QGZVFWFLSA-N 340.471 2.665 0 50 EFAA CC(C)C(=O)N1CCCC[C@@H]1c1n[nH]cc1I 1775998750 ISQXSXCKGPZWOD-SNVBAGLBSA-N 347.200 2.724 0 50 EFAA COc1ccc2c(c1)CC[C@@H](NC(=O)c1nc3c(s1)COCC3)C2 1775999390 QMPMDUSQBVYHLH-CYBMUJFWSA-N 344.436 2.512 0 50 EFAA c1ccc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc2c1 32670 OIKBIROVPMAABI-UHFFFAOYSA-N 342.406 2.900 0 50 EFAA CC(C)Oc1ccc(Cl)c(-c2nc(C[C@H]3COCCO3)no2)n1 2325777602 NTONJFZIWRCSTC-JTQLQIEISA-N 339.779 2.530 0 50 EFAA CCCc1cc(NC(=O)c2ccc(NCc3nccn3C)cc2)n[nH]1 900643445 BRWUKAFXRXNQJA-UHFFFAOYSA-N 338.415 2.960 0 50 EFAA Cc1ccc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)nn1 904521163 KZEITPYYYVHCNN-UHFFFAOYSA-N 333.355 2.700 0 50 EFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@H](c1ccc(F)cc1)c1ccccn1 110681300 WDCMMHZHAXGEAR-BZZMCLGOSA-N 341.386 2.929 0 50 EFAA C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H](N2CCCC2)C1 246610609 GQRGZPFCKFWAHZ-NVXWUHKLSA-N 326.444 2.892 0 50 EFAA CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(CC)CC)O1 288169 MWKOHFMDYJCQSJ-UHFFFAOYSA-N 335.248 2.928 0 50 EFAA COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Br)cc1 319213 RIYQPKDTWIBZHR-GFCCVEGCSA-N 328.206 2.767 0 50 EFAA CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc21 2002752 OPQGFIAVPSXOBO-UHFFFAOYSA-N 340.431 2.814 0 50 EFAA in-vivo CC(=O)N[C@H](C)CC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 55284703 KBFGYJBZNCZRFL-GFCCVEGCSA-N 332.400 2.639 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)c1 8247336 LEKZKNUJUDAXCU-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA O=C(Nc1ccccc1F)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426571 BCADEXWIPXOFID-AWEZNQCLSA-N 344.361 2.995 0 50 EFAA Cc1ccsc1CCNC(=O)C(C)(C)NC(=O)c1cccs1 55212017 QDZBIQOVJBADTN-UHFFFAOYSA-N 336.482 2.985 0 50 EFAA Cc1cnn(CCC(=O)NCC2(c3cccc(F)c3)CCOCC2)c1 55452900 RGIVQUXGILLDTM-UHFFFAOYSA-N 345.418 2.585 0 50 EFAA CC(C)CCN1C(=O)C[C@H](N2C[C@H](C)O[C@@H](c3ccccc3)C2)C1=O 248295340 WSYSVBNXSLERFG-RYQLBKOJSA-N 344.455 2.622 0 50 EFAA CC(C)c1nnsc1CNC(=O)c1cccc(Cn2cccn2)c1 65453615 ZXTHRVBDBQXKDI-UHFFFAOYSA-N 341.440 2.836 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)C2)n1 347431830 GKNCLCFMOHUHFE-GFCCVEGCSA-N 341.346 2.537 0 50 EFAA CC(C)CN(C)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67840321 IIHODVSHHVGTKT-FQEVSTJZSA-N 332.488 2.561 0 50 EFAA C[C@H](N)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67472739 IVAMUWJFQPUDJR-JTQLQIEISA-N 339.317 2.856 0 50 EFAA CCc1csc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)n1 67447177 SZKRDKBBXGBXEQ-UHFFFAOYSA-N 332.404 2.970 0 50 EFAA COc1ccc(O)c([C@H]2CC(=O)Nc3[nH]nc(-c4cccnc4)c32)c1 65462461 HADFZUVVVRZIQA-CYBMUJFWSA-N 336.351 2.660 0 50 EFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)CCN1CCCCCC1=O 67909121 JNQBXZXVAXHJRA-QGZVFWFLSA-N 343.471 2.516 0 50 EFAA Cn1c(=O)oc2cc(CNCc3nnc(C(C)(C)C)s3)ccc21 352689906 DMAQJGZEQNIMLM-UHFFFAOYSA-N 332.429 2.570 0 50 EFAA C[C@@H]1CN(CC2CCN(C(=O)Cc3ccsc3)CC2)C[C@@H](C)O1 171226990 PBGADAPARMXEQW-HUUCEWRRSA-N 336.501 2.638 0 50 EFAA CN1CCC[C@H](CNc2cn[nH]c(=O)c2Cl)[C@H]1c1cccs1 252674425 SBULSMMHMKEHOL-YGRLFVJLSA-N 338.864 2.980 0 50 EFAA CN1CCN([C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 215281348 QSZXEWKMZZQVLH-NRFANRHFSA-N 349.478 2.816 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 229818110 NFJNXJBVLDOQOG-NEWSRXKRSA-N 340.467 2.960 0 50 EFAA CN(C(=O)c1cc(F)c(F)cc1F)c1c(F)cccc1C(N)=O 153246812 LWVJWAQQJHAGTA-UHFFFAOYSA-N 326.249 2.619 0 50 EFAA C[C@@](O)(CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)C(F)(F)F 253397431 YXRRIJLELPBEHV-LDYMZIIASA-N 345.287 2.921 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1cccn1 77356418 HCEFSZBBPWHFPS-INIZCTEOSA-N 341.411 2.626 0 50 EFAA O=C(Nc1ccc(N2CCCC2)nc1)c1nn(-c2ccccc2)cc1O 123062362 JDHGGOKMTXGUDN-UHFFFAOYSA-N 349.394 2.825 0 50 EFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CCC(Nc2cccnc2)CC1 361086430 IZRVUBLOGSAWTB-GOSISDBHSA-N 343.402 2.747 0 50 EFAA C[C@]1(C2CCN(c3ccnc(C(F)(F)F)c3)CC2)N=C(O)N=C1O 329215038 MBUIDFMGTAPNQC-CQSZACIVSA-N 342.321 2.960 0 50 EFAA CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 332277811 XTGRNADIKSAKHS-YPMHNXCESA-N 337.489 2.563 0 50 EFAA Cc1noc(C)c1CSCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 127712173 FKRPDIIYXJAUSY-PBHICJAKSA-N 338.473 2.678 0 50 EFAA c1nc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c2ccsc2n1 219430911 SAINVTGRBUVBRE-OLZOCXBDSA-N 348.453 2.934 0 50 EFAA Cn1ccnc1CN1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 216299817 MDPDDBHXFQJXSH-MRXNPFEDSA-N 346.500 2.651 0 50 EFAA O=S(=O)(C[C@@H]1CCCC1(F)F)N[C@@H]1COCc2ccccc21 333903389 JERSJNOBTXQQKN-GXTWGEPZSA-N 331.384 2.613 0 50 EFAA Cc1cc(C(=O)Nc2cccc(CSCCC(=O)O)c2)n(C)n1 237795460 MULCAIZVBFCUNT-UHFFFAOYSA-N 333.413 2.689 0 50 EFAA CCCn1nc(C)c(CNC(=O)[C@@H](O)c2ccccc2Cl)c1C 223959890 IOPWFLPAZCTTDC-INIZCTEOSA-N 335.835 2.913 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1=O 82107699 HUQIGQMIFDTVJR-QGZVFWFLSA-N 338.407 2.603 0 50 EFAA O[C@H]1C[C@@H]([C@H](Cc2ccccn2)NC2CCC3(CCNCC3)CC2)C1 223735835 HJKRPLDPXYMNID-VDGAXYAQSA-N 343.515 2.666 0 50 EFAA CCc1nc2ccccc2n1CCC(=O)NCc1cnn2ccccc12 426382643 JBRDALDOGRYVHJ-UHFFFAOYSA-N 347.422 2.953 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1 82115139 BNGWBVISGOVQKV-UHFFFAOYSA-N 341.459 2.500 0 50 EFAA O=C1CC[C@@H]2CN(Cc3ccoc3)CC[C@@H]2N1Cc1cccnc1 19536188 JIYAMJZUBOEGJX-MSOLQXFVSA-N 325.412 2.688 0 50 EFAA Cc1ccc2nc(CN(C)C(=O)NCCCC(C)(C)CO)[nH]c2c1 426719798 DZBBHVLCDMZHMW-UHFFFAOYSA-N 332.448 2.811 0 50 EFAA COCC1(CNC(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)CCC1 426372428 XIUYAMWJAXBSJJ-UHFFFAOYSA-N 342.395 2.592 0 50 EFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)CSCCN1CCCC1)CC2 426518699 FHMNUNRDDQKYOP-OAHLLOKOSA-N 348.512 2.970 0 50 EFAA C[C@H](NC(C)(C)CNC(=O)c1cnn2c1CCC2)c1ccccc1 294444661 CPPASRYKICYFFO-AWEZNQCLSA-N 326.444 2.689 0 50 EFAA CCCc1cc(N2CCC(N(C)Cc3nnc(C)o3)CC2)nc(C)n1 95520750 JKNGXDVFKREDBR-UHFFFAOYSA-N 344.463 2.530 0 50 EFAA Cc1c(Cl)c(C(=O)NC[C@H]2CCOc3ccccc3C2)nn1C 96179573 ATOVRHGSTYGGJT-LBPRGKRZSA-N 333.819 2.753 0 50 EFAA COc1ccc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)c(F)c1F 97436975 QGIXRDRPUDJGBM-UHFFFAOYSA-N 344.321 2.689 0 50 EFAA Cc1nc(CC2CCS(=O)(=O)CC2)n(-c2cccc(C)c2C)n1 97637926 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Cc1sc2ncnc(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)c2c1C 1704343578 JLLVPXCPAXBLAM-RDTXWAMCSA-N 346.500 2.591 0 50 EFAA FC(F)(F)c1cccc(N2CCN(CC[C@@H]3COCCO3)CC2)c1 1775981277 CHUJNOHVWBXFIH-MRXNPFEDSA-N 344.377 2.633 0 50 EFAA CCCCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 12327615 AUTKFSQEJZPSRF-NSHDSACASA-N 349.456 2.543 0 50 EFAA Cc1ccc([C@@H](C)CCN2CC(=O)N(C3CCCCC3)C[C@H](O)C2)o1 14536384 XWIKXERSJXTEMI-MAUKXSAKSA-N 348.487 2.919 0 50 EFAA O=C(C1CCC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1)N1CCCCC1 18247599 KFXPJPSLWPMFSD-UCUFBTAOSA-N 344.455 2.509 0 50 EFAA Cc1ncc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)n1C 19840413 FIVBHAOGIGZNQE-IBGZPJMESA-N 326.488 2.867 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 219023039 IXDNSGBYZIIXMR-FHWLQOOXSA-N 349.434 2.535 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1c1cnc[nH]1 1857532322 UAPNJSWNICTCCJ-SZMVWBNQSA-N 338.455 2.636 0 50 EFAA COc1ccc(-n2ccnc2-c2cnsc2)cc1C(=O)N(C)C 1857689778 XUTFATQMRFCEOA-UHFFFAOYSA-N 328.397 2.706 0 50 EFAA COc1ccc([C@H](NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)C(F)(F)F)cc1 225401295 SUAHNKGKFVIYBU-RQJABVFESA-N 344.333 2.918 0 50 EFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 230172765 HJPYOFUQFYZPHG-IJEWVQPXSA-N 346.452 2.660 0 50 EFAA CCc1ncsc1C(=O)NC1CCN(c2cccc(C)n2)CC1 121577547 HNLVUVGFRVHNRD-UHFFFAOYSA-N 330.457 2.808 0 50 EFAA O=C(NCc1ccnc(OCC(F)F)c1)Nc1ccc(F)cn1 123451271 VFRTYZLFKIYHJE-UHFFFAOYSA-N 326.278 2.581 0 50 EFAA Cc1cc([C@H](C)NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)o1 128177705 XKCIUIIYYWIJLL-ZDUSSCGKSA-N 333.432 2.611 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(C/C=C/c1ccc(OC)cc1)C2 247896690 CYWGGUXCIUANKR-FKDQEEMOSA-N 330.472 2.751 0 50 EFAA C[C@@H](Oc1ncccc1C(=O)NCC1(CO)CCCC1)C(F)(F)F 252497694 QNGXGQOJDMLLLU-LLVKDONJSA-N 346.349 2.694 0 50 EFAA CCC(CC)n1ncc(C(=O)N2CCN(c3nccs3)CC2)c1C 156573418 MVMSVBICGYZTMM-UHFFFAOYSA-N 347.488 2.972 0 50 EFAA CN1CCCC[C@H]1C(=O)N[C@@H](CC(=O)O)c1ccc2ccccc2c1 909697072 WJHBJNLQZFVYNY-ROUUACIJSA-N 340.423 2.956 0 50 EFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(C(F)(F)F)c(F)c1 818311094 KUTUCPIPEQAEAW-CQSZACIVSA-N 349.280 2.550 0 50 EFAA O=C(NCC[C@]1(O)CCCOC1)c1ccc(N2CCCCCC2)cc1 824090161 SHCXLFUWWPWFEY-HXUWFJFHSA-N 346.471 2.728 0 50 EFAA O=C(NCC[C@@]1(O)CCCOC1)c1ccnc2cc(Cl)ccc12 824090463 YSCYULKZXTUIBP-KRWDZBQOSA-N 334.803 2.550 0 50 EFAA Cc1nnc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)o1 1875282052 LBPMTWKRUAODAU-UHFFFAOYSA-N 348.406 2.871 0 50 EFAA CN(C)c1ccc(CN2CCc3c(ccc(F)c3F)[C@@H]2C(=O)O)cn1 1875283420 RQYAIADVOBZCEO-QGZVFWFLSA-N 347.365 2.610 0 50 EFAA Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H](C)C(=O)O 1875266700 YDPURBKTHZDIBF-LBPRGKRZSA-N 332.400 2.717 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Oc3cccnc3)cc2)cn1 1875385483 ULAASZSWGIKRLW-MWTRTKDXSA-N 336.395 2.871 0 50 EFAA CC(=O)N1C[C@@H](NCc2cnn(C(C)(C)C)c2)CC[C@H]1C(F)(F)F 886031029 APDLIIWKRFXPID-KBPBESRZSA-N 346.397 2.670 0 50 EFAA C[C@H](Cc1ccccc1F)C(=O)NC1(c2ncccn2)CCOCC1 886938874 BSPQCGOTUDYCTM-CQSZACIVSA-N 343.402 2.616 0 50 EFAA F[C@H](c1nc(-c2cccc(OCc3cccnc3)c2)no1)C1CNC1 888096986 UDFCWCOUZIGWAB-INIZCTEOSA-N 340.358 2.941 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)/C=C(\C)c2ccc(F)cc2)C1 888077697 PXAKHOKGMZJHST-IEWAYXNBSA-N 329.375 2.941 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2occc2Br)CC1 299741504 FKANRPLEGXEXFF-SECBINFHSA-N 330.178 2.759 0 50 EFAA CN(Cc1cncc(Br)c1)[C@@H](CC(=O)O)C(F)(F)F 705493504 GOQJGAPGJDLKTE-VIFPVBQESA-N 341.127 2.682 0 50 EFAA O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Br)cc1 93224 MZYISCUOSLSQRH-ZDUSSCGKSA-N 337.217 2.613 0 50 EFAA N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)CCCC2(CCC2)C1 2325787257 NUMWQMLBBXZQIU-RZQQEMMASA-N 342.439 2.858 0 50 EFAA O=C(Nc1ccc(C2CCC2)cc1)N1CCOC[C@H]1c1nc[nH]n1 225483598 SDIFJOZDUKIHQY-HNNXBMFYSA-N 327.388 2.678 0 50 EFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCSC1=O 463090 FUBUTIUKVPKMEL-XCBNKYQSSA-N 334.224 2.909 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1 4725186 JHALSLBAXTWTGD-UHFFFAOYSA-N 332.444 2.907 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCCN(C(C)C)C2)c2c(C)noc2n1 58181516 DPTVEQRFNBZVIZ-AWEZNQCLSA-N 330.432 2.690 0 50 EFAA O=C(CN1C(=O)COc2ccccc21)Nc1cccc2c1CCCC2 10683271 MHSJRZJYEABIPQ-UHFFFAOYSA-N 336.391 2.930 0 50 EFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)C(=O)NCc1ccccc1 245914413 FDWVLLSMCXZYNW-FVQBIDKESA-N 342.464 2.981 0 50 EFAA Cc1ccc(C)c(NC(=O)CC(=O)N(C)[C@@H](C)c2ccncn2)c1 55281090 PBMJUVQOAVKBEO-AWEZNQCLSA-N 326.400 2.642 0 50 EFAA O=C(Nc1cccc(N2CCCCC2=O)c1)[C@H]1CCCc2[nH]ncc21 134515049 ASBQPAXBKSIHIE-HNNXBMFYSA-N 338.411 2.985 0 50 EFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)n1 67954698 YBOLJPHAZJIMPU-ZDUSSCGKSA-N 343.431 2.888 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(-c2cccs2)n[nH]1 248151627 ULFNBVSYMPZEEF-HUUCEWRRSA-N 330.457 2.837 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@@H]21 248565452 BPQJYLHMFNLRJG-QLFBSQMISA-N 327.453 2.543 0 50 EFAA Cc1ccc(CNc2nccc(N3CCC[C@@H](O)C3)n2)c(F)c1F 65380918 DMJLHQADEJFUGF-CYBMUJFWSA-N 334.370 2.636 0 50 EFAA c1ccc(NCCNc2nc(-c3cccnc3)nc3c2CCNC3)cc1 67805154 KIRPUJVRGYYXMU-UHFFFAOYSA-N 346.438 2.708 0 50 EFAA Nc1ccnc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)n1 67472698 PNPSGHHUSZSPQV-KRWDZBQOSA-N 332.835 2.534 0 50 EFAA O=C(c1cc(-c2cccnc2)on1)N1CCN(Cc2ccccc2)CC1 20137629 JABWEPHQINCSPR-UHFFFAOYSA-N 348.406 2.695 0 50 EFAA CCOc1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1OC 138916817 SGQLJDVEBCXOME-UHFFFAOYSA-N 343.379 2.795 0 50 EFAA Cc1c(CN2C[C@H](N)C[C@H]2C(=O)NC(C)C)[nH]c2c(Cl)cccc12 67742913 XYKDVHQBFVSXNP-WBMJQRKESA-N 348.878 2.556 0 50 EFAA C[C@H](N)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67820823 VGUKGYCDNQIQEM-NSHDSACASA-N 346.814 2.781 0 50 EFAA CC(C)n1cc(C2=CCN(CCC(=O)NCc3ccco3)CC2)cn1 67803126 VSBJXXXHEIQJIW-UHFFFAOYSA-N 342.443 2.853 0 50 EFAA C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 229295971 VDFSHLIZOJBYBY-CMPLNLGQSA-N 347.444 2.610 0 50 EFAA C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229372430 IEGSGHSYQUABAA-OLZOCXBDSA-N 330.881 2.662 0 50 EFAA C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229372416 IEGSGHSYQUABAA-STQMWFEESA-N 330.881 2.662 0 50 EFAA COC(=O)c1ccc(N2CCC[C@H](OCc3ccccc3F)C2)nn1 328588759 OOWPQKIINVFKJF-AWEZNQCLSA-N 345.374 2.588 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1nnc(-c2cccc(F)c2)o1 77457050 HNETVFJETIFLFD-HNNXBMFYSA-N 346.406 2.709 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ncccc1C(F)(F)F 328623645 CALIPTJYLHZYRQ-JSGCOSHPSA-N 340.349 2.937 0 50 EFAA COc1ccccc1C1=NO[C@H](C(=O)NCc2ccc(F)cc2)C1 6738322 XQBSZALUZJUACF-KRWDZBQOSA-N 328.343 2.644 0 50 EFAA C[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(CCCO)c1 253392302 SHKDCSSYQWENHD-FQEVSTJZSA-N 327.424 2.934 0 50 EFAA O=C(C1=COCCO1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 253426304 MXSIQXFKIILGKD-GFCCVEGCSA-N 342.317 2.738 0 50 EFAA O=C(c1ccsc1)N1CCCN(Cc2ccc3cn[nH]c3c2)CC1 123490618 YYLUPZBSNWPHNU-UHFFFAOYSA-N 340.452 2.973 0 50 EFAA O=C(CCc1ccc(C(=O)O)cc1)N[C@H]1CCOc2ccccc21 238072264 NCBXLIQPXAPTLG-INIZCTEOSA-N 325.364 2.957 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)NC[C@H](C)c3c(C)noc3C)C2)c1 151492416 LIZYUYYWTUYRCA-BBRMVZONSA-N 345.447 2.947 0 50 EFAA CC(C)[C@H]1C[C@@H](CC(=O)NCC(=O)Nc2ccc(F)cc2)CCO1 359000149 YSQHQGPHXDBQSY-XJKSGUPXSA-N 336.407 2.722 0 50 EFAA Cc1ccc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)n1C 435573054 IIIZOMYOOBPIKU-OAHLLOKOSA-N 344.484 2.575 0 50 EFAA O=C(c1cc(O)c2ccccc2n1)N1CCC[C@H](N2CCCC2)C1 72132912 IZCFUDZHGCRYNQ-AWEZNQCLSA-N 325.412 2.641 0 50 EFAA CCc1oc(C(=O)N2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1C 330576873 PGJDBVVSLYAHLG-FZMZJTMJSA-N 346.349 2.822 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(Cc2ccnn2-c2ccccc2)CC1 369100120 MWKWSZZSINETGH-SFHVURJKSA-N 337.427 2.541 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F 156926052 ONPAYHYTESTRIW-UKRRQHHQSA-N 331.395 2.833 0 50 EFAA CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)C1 281845989 QWBHMYFVCJVXCF-VNHYZAJKSA-N 332.400 2.541 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F 215195593 DWKIIODELPPOMC-HNNXBMFYSA-N 340.349 2.784 0 50 EFAA COc1cccc(-n2cc(CNC(=O)c3cc4ccccc4o3)nn2)c1 370745455 QUVUGJWVRCTNMK-UHFFFAOYSA-N 348.362 2.952 0 50 EFAA CC(=O)c1cc(CN2CCC([C@H](O)c3nccn3C)CC2)cs1 216275760 KEAGHGFWISARDR-INIZCTEOSA-N 333.457 2.630 0 50 EFAA C[C@H]1CCOCCN1C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 376979181 NJZARBLFOCUQTD-JTQLQIEISA-N 337.326 2.925 0 50 EFAA C[C@@]1(C(=O)N2CCCN(Cc3ccccc3F)CC2)CCCCO1 77354532 NANLXSKHFCKDGR-IBGZPJMESA-N 334.435 2.819 0 50 EFAA O=C(NCC1(Cc2ccccc2)CCCC1)N[C@H]1CC[S@@](=O)C1 332826782 AOHWOBVFBKYMAH-QMHKHESXSA-N 334.485 2.610 0 50 EFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](O)c1cncn1C)CCC2 239367314 AICYDRDZFNYOSX-SJLPKXTDSA-N 327.428 2.771 0 50 EFAA COc1ccc(CN2CCCN(C3Cc4ccccc4C3)CC2)cn1 215248138 UIOLQFCPKKSJEN-UHFFFAOYSA-N 337.467 2.765 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 237963984 ZBBPTTGQTIAOHY-ZWKOTPCHSA-N 344.455 2.754 0 50 EFAA Cc1cnn(CCNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 282753260 MQHNZXXQPUPDMJ-ZDUSSCGKSA-N 344.381 2.956 0 50 EFAA Cc1nc2c(s1)[C@H](N(C)C(=O)CCC(=O)c1cnn(C)c1)CCC2 239672773 BVEGPYAMOVVZAA-CQSZACIVSA-N 346.456 2.684 0 50 EFAA CCCn1ccnc1CN1CCC2(CC1)Nc1ccccc1NC2=O 82161259 CLTPTYFUYFJYFC-UHFFFAOYSA-N 339.443 2.692 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)cn1 241435144 NLAQEBZKIHHXOC-RRQGHBQHSA-N 327.403 2.754 0 50 EFAA O=S(=O)(CC1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 241897152 TWAKSVGDBRYWPI-ARFHVFGLSA-N 327.490 2.834 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O 242147537 WSNXAIFHUUKDSM-LUKYLMHMSA-N 335.469 2.523 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(Cc3cccc4[nH]ccc34)C2)nn1 285610007 VHAZVUWSGUMNGC-IBGZPJMESA-N 339.443 2.824 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 286173937 WWIWOMCXMVWSSV-NSHDSACASA-N 332.322 2.604 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Cc1c(F)cccc1Cl 85533964 ZNWOBRSPDXTDTQ-OAHLLOKOSA-N 340.826 2.881 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 176226945 TZXRRMQJFJJNIX-AWEZNQCLSA-N 341.436 2.573 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccn(-c2ccc(Cl)cc2)n1 263564411 DYPMMCRCUJFVHP-BZUAXINKSA-N 331.803 2.963 0 50 EFAA Cn1c(SCCOCc2ccccc2)nnc1C1CCNCC1 426411209 DHTIKRKIYQKHHI-UHFFFAOYSA-N 332.473 2.591 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)n1 91755945 LRVILJDDNHUCFZ-ZDUSSCGKSA-N 339.399 2.587 0 50 EFAA CC(C)C[C@H](NC(=O)Nc1ccc2cn[nH]c2c1)c1ncnn1C 96148093 RTJIQOKGDZRYTO-AWEZNQCLSA-N 327.392 2.600 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2cccnc2)on1 265571950 LRGZORWJSVXJIJ-UGFHNGPFSA-N 341.367 2.595 0 50 EFAA c1c(-c2nc3c(s2)CCCC3)nnn1Cc1cn2c(n1)SCC2 92028381 QNLOZMPFRLJSOU-UHFFFAOYSA-N 344.469 2.631 0 50 EFAA COc1cc(C(=O)N2CC[C@H](CN)C2)cc(Cl)c1OCC(C)C 178538607 ORALSSSMVPHAPE-GFCCVEGCSA-N 340.851 2.804 0 50 EFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1 97213130 YWISTKWCWBTUIG-AWEZNQCLSA-N 347.300 2.900 0 50 EFAA CSc1nsc(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)n1 161891474 VNAPGDBSGFRXQT-VIFPVBQESA-N 340.430 2.767 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 178969309 KRNQWPGUWUOWSN-DGXRNCNBSA-N 341.224 2.669 0 50 EFAA CC(C)(C)c1ncc(C(=O)NCCCSCc2ccco2)c(=O)[nH]1 91585712 KLDYDUMBBUJYIJ-UHFFFAOYSA-N 349.456 2.714 0 50 EFAA CC(=O)c1cnc(NCc2nc(C)cc(C(F)(F)F)n2)nc1C 92078573 ICWYUIYXKCNTEV-UHFFFAOYSA-N 325.294 2.717 0 50 EFAA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccsc3)C2)CC1 23338067 PDDADIFYLPLKGE-INIZCTEOSA-N 335.517 2.514 0 50 EFAA Cc1ccnc(NCCNC(=O)c2ccc([C@H]3CCCNC3)cc2)c1 95380555 VFGGYNDFKMMLMK-SFHVURJKSA-N 338.455 2.699 0 50 EFAA CNc1ccccc1C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 293821892 VDMUGWBDYIMDDC-AWEZNQCLSA-N 327.432 2.921 0 50 EFAA CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccoc2C)CC1 181287621 ARIINCRBNQJCRV-GFCCVEGCSA-N 325.430 2.870 0 50 EFAA CC(C)OC(=O)c1ccn(Cc2nnc(-c3ccccc3)o2)c(=O)c1 183918417 HMDCYQYSFYKWBR-UHFFFAOYSA-N 339.351 2.512 0 50 EFAA COc1ccc(-c2cc(C(=O)N[C@]3(CO)CCOC3)sc2C)cc1 182832972 FCIQTWGULOASQT-SFHVURJKSA-N 347.436 2.613 0 50 EFAA CN1CC[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2Cl)C1 534658918 HZTHSHVINDBSQH-ZDUSSCGKSA-N 330.259 2.881 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(F)c3F)[C@H]2C1 299789778 AWGKTYYWXVHXSK-PZSREKOKSA-N 325.355 2.763 0 50 EFAA CCn1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(C)n1 299801785 XTAZCFJHXLPHDX-KRWDZBQOSA-N 329.448 2.944 0 50 EFAA CCCc1cnc(C)nc1NC1CCN(C2CCN(C)CC2)CC1 823012065 PFRDXXMSXYUWPF-UHFFFAOYSA-N 331.508 2.708 0 50 EFAA Cn1ncc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c(Cl)c1=O 267529862 VAUKFUXAFXLCCW-ZYHUDNBSSA-N 339.848 2.588 0 50 EFAA C[C@@H](c1ccon1)N(C)c1nc2nonc2nc1N1CCCCCC1 67946292 PDBLPDXZFGIEQV-NSHDSACASA-N 343.391 2.579 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C[C@]2(C)CCN(C)C2)cc1Cl 952989269 CMIRUGMWHLKKFG-OAHLLOKOSA-N 330.881 2.611 0 50 EFAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)O)C1 95642937 MLTORWXZEPCUQZ-LBPRGKRZSA-N 344.452 2.614 0 50 EFAA in-vitro CSCCCN1C(=O)CC[C@@H]2CN(c3nccs3)CC[C@@H]21 1565508783 YBWQRUUWBKECNU-OLZOCXBDSA-N 325.503 2.714 0 50 EFAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccnc2-n2cncn2)C1 184687672 XSIFWTIFSDJKOQ-XJKSGUPXSA-N 349.398 2.672 0 50 EFAA C[C@H]1C[C@H](CNC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 271508540 ILYBBTXLYDGJHY-QWHCGFSZSA-N 333.407 2.964 0 50 EFAA CCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)CC)c1 185949881 WWOIWMBSVFTTEW-OAHLLOKOSA-N 337.441 2.802 0 50 EFAA CC(C)[C@H](C(=O)N1CCC12CCC2)S(=O)(=O)C1CCCCC1 170022453 CLDSGLLLSGMSEY-OAHLLOKOSA-N 327.490 2.914 0 50 EFAA O=C(NCC(F)(F)CO)c1ccc2noc(-c3ccccc3)c2c1 170082675 UIKFJBFPBYWGED-UHFFFAOYSA-N 332.306 2.852 0 50 EFAA CCS(=O)(=O)c1ccc(NCCc2cn3ccccc3n2)cc1 170604417 LNFHMRJTYBIATN-UHFFFAOYSA-N 329.425 2.783 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)N1C[C@H](C2CC2)O[C@H](C)C1 279517709 LNCSNNZIKIIQAL-HBUWYVDXSA-N 348.443 2.671 0 50 EFAA CO[C@@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccccc1 187420243 HWQPEWJDQRCPAO-ROUUACIJSA-N 332.444 2.975 0 50 EFAA O=C(NCCc1ccccc1Cl)[C@H]1COCCN1C1CCCC1 188787657 VAPCOXNSSZLADJ-QGZVFWFLSA-N 336.863 2.642 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCc2ccc(C)cc2C)C1 644117847 RPCWDXIPXPZWGI-SJORKVTESA-N 327.428 2.948 0 50 EFAA COc1cccc([C@@H](NC(=O)[C@@H]2CCOc3ccccc32)C(=O)O)c1 659175404 NATGYLIQLUXVHF-NVXWUHKLSA-N 341.363 2.503 0 50 EFAA CSc1ncc(C(=O)O)c(N2CCC[C@H]2c2nc(C(C)C)no2)n1 1529126052 RZYRICJXTPEGJW-JTQLQIEISA-N 349.416 2.745 0 50 EFAA CN(C)CCc1nnc(NC(=O)c2cc3cc(F)ccc3n2C)s1 1529159705 XXCNXVYTVQPWRX-UHFFFAOYSA-N 347.419 2.525 0 50 EFAA CCCCOc1ccccc1C(=O)N(CCO)Cc1cnc(C)[nH]1 1704313424 PWESDGUWZMBMLU-UHFFFAOYSA-N 331.416 2.532 0 50 EFAA Cc1nc(C)c(C)c(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1704298208 GZZXVGWNQJGTFA-YLJYHZDGSA-N 348.450 2.990 0 50 EFAA C[C@@H](c1nc(C2CC2)no1)N(C)C[C@@H](O)COCc1ccccc1 229587323 QUBIBBKHGBZSCI-XJKSGUPXSA-N 331.416 2.518 0 50 EFAA CN(C)c1ccc(CN2CCC(Cc3ccc(O)nc3)CC2)cn1 1772806203 VWVRIHKZQSCALO-UHFFFAOYSA-N 326.444 2.703 0 50 EFAA Cc1cccc(OCCCN(C)Cc2cnc(C(=O)O)cn2)c1C 1772707884 WXLTZFWLTXXUQJ-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA CN(Cc1cnc(C(=O)O)cn1)C[C@]1(c2ccccc2)CC1(C)C 1772709723 LNJSDJBMBKVNGR-IBGZPJMESA-N 325.412 2.975 0 50 EFAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@H]1CCCO1 12712952 BXUAWUYXETUPLF-GOSISDBHSA-N 348.487 2.801 0 50 EFAA CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CC(=O)Nc2ccccc21 14401344 YMFXMHGTNZZVAN-QGZVFWFLSA-N 340.379 2.838 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCC[C@H]1C)C2 14958018 HTIMQIGUEUFHPG-MNOVXSKESA-N 349.456 2.638 0 50 EFAA COCc1noc(-c2ccc(N(C)CC[C@@H]3CCCCO3)nc2)n1 15066556 XQKMXMVXSJFQGV-AWEZNQCLSA-N 332.404 2.673 0 50 EFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 19791024 FPQBGNKSJQDCDX-OAHLLOKOSA-N 341.388 2.805 0 50 EFAA CN1C[C@@H](n2ccnc2C2=Cc3cc(Cl)ccc3OC2)CC1=O 1857680626 QQXHPYOHKLITFA-AWEZNQCLSA-N 329.787 2.873 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(C[C@@H]3C[C@H]3c3ccccc3)C2)n1 329827735 RQIXAGQCZAWOKH-KSZLIROESA-N 338.455 2.683 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1 238084865 XKBRHVHNQPUCOQ-LBPRGKRZSA-N 331.343 2.951 0 50 EFAA Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@H]2CCO[C@@H]2C2CC2)c1 365821371 QFXJZFXLWUCHOH-WMLDXEAASA-N 341.415 2.573 0 50 EFAA CCn1ncnc1CNC(=O)N1CC=C(c2cccc(Cl)c2)CC1 373466983 QBMDPWKNRQWKGG-UHFFFAOYSA-N 345.834 2.950 0 50 EFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)c(F)c(F)c2)C1 379249928 BNCVZQKRSYSMJJ-GMSGAONNSA-N 326.240 2.598 0 50 EFAA CC(C)n1cc(NS(=O)(=O)c2occc2Br)cn1 901882653 JOHSSAVIWUASTP-UHFFFAOYSA-N 334.195 2.620 0 50 EFAA CCc1noc(CC)c1CC(=O)N1CC(=O)Nc2cc(F)c(F)cc21 906250185 GFSSJVMIWPQVHA-UHFFFAOYSA-N 349.337 2.605 0 50 EFAA Cc1noc([C@H]2CCN(Cc3cnc(N(C)C)c4ccccc34)C2)n1 930413875 GXTZPULBDWRMHW-AWEZNQCLSA-N 337.427 2.982 0 50 EFAA Cc1ncc(NC(=O)N[C@@H]2CCCC[C@H]2O)c(C)c1Br 932768164 DJAYLFZWMLXWEE-ZYHUDNBSSA-N 342.237 2.886 0 50 EFAA COc1ccccc1O[C@@H](C)CNC(=O)C12CCC(C(=O)O)(CC1)C2 863981874 QGMSZSPKZCGLPT-MDAWKPQNSA-N 347.411 2.614 0 50 EFAA Cc1cc(C(C)C)nc(N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1 865651029 MMWAPUDFDKNPBI-NVXWUHKLSA-N 329.448 2.734 0 50 EFAA O=C(NC[C@H](c1ccc(Cl)cc1)C1CC1)c1nc[nH]c2ncnc1-2 1875282018 JTRDDXLHLUIETG-ZDUSSCGKSA-N 341.802 2.882 0 50 EFAA O=C(O)c1coc(C(=O)Nc2cccc(Oc3ncccn3)c2)c1 1875259914 DSHMKIJEDGCCTF-UHFFFAOYSA-N 325.280 2.812 0 50 EFAA Cc1ccc(-c2noc(Cc3nc(C4CCOCC4)n[nH]3)n2)cc1F 1875276404 CIMGJTMJEDMZQI-UHFFFAOYSA-N 343.362 2.787 0 50 EFAA O=C(O)C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2F)[nH]n1 1875291683 IMHVZQKOWVVNPN-LLVKDONJSA-N 331.347 2.685 0 50 EFAA CCn1nnc(C)c1Cn1cc(C23CC4CC(CC(C4)C2)C3)nn1 1875282250 UZWCGABFYWWXJJ-UHFFFAOYSA-N 326.448 2.714 0 50 EFAA COC[C@@H]1C[C@H]1C(=O)O[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 1875305171 JUSICUJKZHYYSD-CYZMBNFOSA-N 346.301 2.745 0 50 EFAA COc1ccccc1CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886082247 PBFOHBQSJRMHKI-CRAIPNDOSA-N 343.427 2.587 0 50 EFAA COc1cccc([C@H](O)CN=c2cc[nH]c(C)c2Br)c1 892461088 ZDASNGCGVRNROS-CQSZACIVSA-N 337.217 2.729 0 50 EFAA C[C@@H]1CCC[C@H]1CC(=O)NCC[C@@](O)(c1ncco1)C(F)(F)F 2325784295 QPBXRIKKGPQSAW-UHIISALHSA-N 334.338 2.757 0 50 EFAA COc1ccc([C@@H](C)NC(=O)N2CCN3CCCC[C@H]3C2)cc1F 245339032 QBYBMEIHVNAGEZ-HIFRSBDPSA-N 335.423 2.775 0 50 EFAA COc1cc2c(=O)n(-c3ccccc3)c(S)nc2c(OC)c1OC 1106067 PLLQTIFRFOMLOJ-UHFFFAOYSA-N 344.392 2.700 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2c(F)cccc2Cl)CC[C@@H]1O 2356153510 JXXYFKCNONVBJW-GOEBONIOSA-N 329.799 2.917 0 50 EFAA COc1ccc(-c2onc(NCc3cccnc3N)c2C(=O)O)cc1 2356157326 FUOOPFJYFQGMCI-UHFFFAOYSA-N 340.339 2.638 0 50 EFAA CCCCOc1ccc(C(=O)N/C(=C/c2ccco2)C(N)=O)cc1 2905877 FONWVOBPAVMFIV-FOWTUZBSSA-N 328.368 2.715 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1 4141175 TXYCFHIMFXUGLV-AWEZNQCLSA-N 338.791 2.548 0 50 EFAA CN1CCO[C@@H]([C@@H](NCc2cscn2)c2ccc(Cl)cc2)C1 222049018 KPWVMQHUIPTGIF-CVEARBPZSA-N 337.876 2.958 0 50 EFAA Cc1ccn2ncc(C(=O)NC[C@H](C)Oc3cccc(F)c3)c2c1 347166180 OADXRQUJOJUCRN-ZDUSSCGKSA-N 327.359 2.979 0 50 EFAA COc1ccc(NC(=O)CN2CCC(n3ccnc3)CC2)cc1Cl 111243123 KVOGDIXMLNOAQY-UHFFFAOYSA-N 348.834 2.821 0 50 EFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)COc1ccc(C)c(C)c1 55414021 HKYDFURPIKLSEN-GOSISDBHSA-N 342.439 2.877 0 50 EFAA CC(C)SCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 225771050 DIPCQMWTPAFLDX-UHFFFAOYSA-N 342.530 2.571 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 342523469 JZFXTFOKZYFPFV-AWEZNQCLSA-N 330.409 2.618 0 50 EFAA O=C1CCCc2occ(C(=O)N(C/C=C/c3ccccc3)CCO)c21 55054288 NFTRQWPMEDWNMR-VMPITWQZSA-N 339.391 2.947 0 50 EFAA C[C@]1(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCCC[C@H]1O 246808916 KDFJZLACTPBTPF-QWFCFKBJSA-N 348.462 2.848 0 50 EFAA OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCC1 20271877 PSTIOJFSAOTWCU-INIZCTEOSA-N 346.500 2.503 0 50 EFAA Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCCCNC1=O 65371689 SBOKXFNZNYBSDR-MRXNPFEDSA-N 342.395 2.566 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)N[C@H](C)c2ccco2)n1 248382206 WFGQRAWFURCKJN-SJORKVTESA-N 344.459 2.825 0 50 EFAA CC(C)CN1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1CCO 20363707 PNZPOJMRCHYLKU-INIZCTEOSA-N 342.430 2.813 0 50 EFAA O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404205 JQUNZDVIDKKMSL-CYBMUJFWSA-N 330.334 2.952 0 50 EFAA Cc1nc(CC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cs1 65409330 JNOOUFURBJOBJO-MRXNPFEDSA-N 331.441 2.597 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2CC(F)F)cs1 279714758 KVWACOPFJDCMDI-NSHDSACASA-N 326.372 2.890 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)[C@@H]1CCCN1 67817765 AETFKSWMWGEBIL-HNNXBMFYSA-N 333.338 2.520 0 50 EFAA OCc1c(Br)cc(F)cc1I 307529649 MFIWLIKZOGQUPE-UHFFFAOYSA-N 330.922 2.685 0 50 EFAA F[C@H]1C[C@@H](CNCc2cccc3cc[nH]c23)N(c2cccnn2)C1 328647586 UBWSWOLMGCDRRH-HOTGVXAUSA-N 325.391 2.665 0 50 EFAA O=C(C1CC1)N1CCC[C@H](C(=O)N2CCOC3(CCCCCC3)C2)C1 120155476 JOTHLHHHNROPDM-KRWDZBQOSA-N 348.487 2.587 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)no1 253433450 XBUULEPQINJWFT-APPDUMDISA-N 347.371 2.655 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 153358236 QRRWKEMUGKZDGF-YJBOKZPZSA-N 331.460 2.699 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C2(C(=O)O)CCCC2)c2cccnc12 326546659 MFIYKFKZBMPHDZ-UHFFFAOYSA-N 348.424 2.561 0 50 EFAA C[C@H]1COCCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 363110583 BTOAIIVKECMITF-CYBMUJFWSA-N 333.432 2.715 0 50 EFAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccsc2)cc1 363300851 ZRRZBXWXUYQXNF-MRXNPFEDSA-N 344.436 2.929 0 50 EFAA CCCN(Cc1nc(C(=O)OCC)no1)[C@@H]1C[C@@H](OCC)C1(C)C 328598101 KAVRWKNZJMIDMK-CHWSQXEVSA-N 339.436 2.662 0 50 EFAA CCOC(=O)c1cnc(/C(C)=C/c2cc(C(=O)O)cs2)nc1O 432692365 CLLYHIWQHKCTPG-XBXARRHUSA-N 334.353 2.679 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 367494045 YDOAPGOKCYSEEP-GFCCVEGCSA-N 328.372 2.751 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCc1nccn1C 77299111 CGOZSJRWKUARRR-OAHLLOKOSA-N 330.432 2.581 0 50 EFAA OC[C@]12CCCN[C@@H]1CCN(Cc1ccc(F)c(C(F)(F)F)c1)C2 72155941 MDWOWHFREKXRTL-HZPDHXFCSA-N 346.368 2.781 0 50 EFAA N[C@@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)C[C@H]1c1ccccc1 261838688 UFEDCFPMFAEQKW-VQTJNVASSA-N 349.478 2.609 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCSC[C@@H]2C2CCC2)cc1 490730965 HZQXJPXCXZCEKU-QGZVFWFLSA-N 344.480 2.847 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NCc1cccnc1-n1cccn1 172106976 USORWIHGUNUPQB-OAHLLOKOSA-N 348.406 2.840 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N2CCC(c3ccn[nH]3)CC2)cc1 125393758 MPWBRVUFQSMGCY-UHFFFAOYSA-N 341.411 2.787 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc12 126236241 SIKVTFDTSUTUGO-UHFFFAOYSA-N 339.380 2.563 0 50 EFAA Cc1nc(-c2cnn(C)c2)oc1C(=O)N1c2ccccc2OC[C@@H]1C 373581922 KAEHSSKVKGDKMZ-NSHDSACASA-N 338.367 2.811 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CCC(C(=O)O)CC3)s2)cc1 237485407 CXEJBSXQIXAFSP-UHFFFAOYSA-N 346.408 2.756 0 50 EFAA CNC(=O)c1cccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 172833873 BOYYDIGVPDBMOZ-SFHVURJKSA-N 349.434 2.671 0 50 EFAA Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)c2)no1 237700971 LXYVIWUQAZZWAU-RCBQFDQVSA-N 326.400 2.904 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1C1CC1 240551568 GURSOCQEWRGPTH-CQSZACIVSA-N 340.427 2.717 0 50 EFAA CCOC(=O)Cc1cccc(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)c1 284851795 PADNHUFODLCLEZ-IRXDYDNUSA-N 346.427 2.968 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(c3ncc(Cl)cc3F)C2)nn1 284403524 BIIHCYUKEQRYKK-HNNXBMFYSA-N 339.802 2.535 0 50 EFAA CCCOc1cccc(CC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 131865022 SBHRTCFNMVHZGM-SJLPKXTDSA-N 344.455 2.535 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)no1 82170562 ULAQKFAFAIXSSY-UHFFFAOYSA-N 339.399 2.710 0 50 EFAA Cn1nc(CNC(=O)[C@@H]2Cc3ccccc3O2)c2c(Cl)cccc21 223384256 JRAVSXCCSHMDRH-INIZCTEOSA-N 341.798 2.847 0 50 EFAA CN(C)CCCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387657 SCXKTDFBFMBATO-UHFFFAOYSA-N 347.422 2.663 0 50 EFAA C[C@@H](NC(=O)N(C)CCC1(O)CCCC1)c1nc2ccccc2[nH]1 426596650 SSSPETAAOUFOCW-CYBMUJFWSA-N 330.432 2.961 0 50 EFAA CCOc1ccccc1CN1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 426504483 MRLRFWLCHYPZSO-YSIASYRMSA-N 349.471 2.606 0 50 EFAA O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CCCCC1 192214911 HTFHHLBZADYJLL-IBGZPJMESA-N 330.472 2.974 0 50 EFAA COC[C@]1(O)CCN(C(=O)Nc2ccc(OC)cc2C)CC1(C)C 91635553 IHUQJYVQYLGXAB-GOSISDBHSA-N 336.432 2.645 0 50 EFAA Cn1c(=O)oc2ccc(NC(=O)N3CCC[C@@H]3c3nccs3)cc21 95506023 LPKZLXUPVZDQRW-LLVKDONJSA-N 344.396 2.957 0 50 EFAA CSCCc1nc(CCn2ccc(C)n2)n(Cc2ccccc2)n1 91563446 RRPXGBSHEUSGBA-UHFFFAOYSA-N 341.484 2.980 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCN([C@H]3CCNC3)CC2)s1 97528920 VSWAVURUKPSACU-INIZCTEOSA-N 342.512 2.598 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(C(C)C)C3)c2c1 95527951 YHDFMEMEAUUPNU-INIZCTEOSA-N 343.471 2.956 0 50 EFAA Cc1nc(C)c(CC(=O)N(C)Cc2ccc3nsnc3c2)s1 97522775 RVPRNSVNRUXKPU-UHFFFAOYSA-N 332.454 2.966 0 50 EFAA O=C(NCCc1cccnc1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 91603262 IOFUKOVIBSUPRN-QGZVFWFLSA-N 343.471 2.702 0 50 EFAA Cc1cc(C)n(-c2ccccc2CN2CC3(CCNCC3)OC2=O)n1 95506223 HAXLPYWUNUENHE-UHFFFAOYSA-N 340.427 2.564 0 50 EFAA O=C(c1ncccc1O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95358611 WGKOEXFDZPHUBA-OAHLLOKOSA-N 340.427 2.804 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCCCCN3C)c2n1 95392032 FOASFFGIJKVMPI-KRWDZBQOSA-N 341.455 2.913 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc12 243956936 CEOPZGKPZIXKGB-QGZVFWFLSA-N 332.359 2.887 0 50 EFAA Cc1oc2ccccc2c1C(=O)N[C@H]1CCCN(c2cccnn2)C1 184044835 XQALUWZKHSGLLE-AWEZNQCLSA-N 336.395 2.930 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)c1 268412236 CVSAYAKVCAUXJV-CYBMUJFWSA-N 346.456 2.620 0 50 EFAA O=C(c1ccccc1N1CCOCC1)N(CC1CC1)C[C@@H]1CCCO1 828182285 KEMDFHJKCKSMHU-KRWDZBQOSA-N 344.455 2.554 0 50 EFAA O=C(O)[C@@H](NC(=O)N(Cc1cccnc1)C1CCCCC1)C1CC1 828540381 CVEZZHCGTSPTQJ-INIZCTEOSA-N 331.416 2.789 0 50 EFAA C[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)C1=CCCCC1 828269760 YJWDBBPCFYZVIP-CYBMUJFWSA-N 341.411 2.752 0 50 EFAA Cc1cc(CNCc2nc(O)n[nH]2)c(C)c(CN2CCCC[C@@H]2C)c1 952978371 LCOYTHHQLGCOQN-AWEZNQCLSA-N 343.475 2.791 0 50 EFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCCC2 888088643 KAOWMLAOZQVUQA-PBHICJAKSA-N 330.476 2.625 0 50 EFAA Cc1ccc(OC[C@@H](O)C(F)(F)F)c(C(=O)Nc2ccncc2)c1 170080263 HAZHJUGLXVDAOH-CQSZACIVSA-N 340.301 2.944 0 50 EFAA Cn1c(CN2CC[C@@]3(C2)OCc2ccccc23)nc2ccccc2c1=O 186649081 GMHYYHREMFNTBL-NRFANRHFSA-N 347.418 2.565 0 50 EFAA C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 189091584 PBCMQIDCTKPZAR-GDBMZVCRSA-N 331.460 2.640 0 50 EFAA COc1ccc(-c2noc(N3CCC[C@H]([C@H]4CCNC4)C3)n2)cc1 643048322 PSQOZHXVFSXZRF-GJZGRUSLSA-N 328.416 2.571 0 50 EFAA O=C(O)c1coc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 191667357 QAPOAVLDIKXSAT-JSGCOSHPSA-N 337.278 2.516 0 50 EFAA Cc1cc(NC(=O)Nc2nnc(Cc3ccccc3F)s2)[nH]n1 192257756 WLZZAOGVZHHTDQ-UHFFFAOYSA-N 332.364 2.944 0 50 EFAA O=C(O)CCCN1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 678723313 GFZDXJFGRCWKPQ-GJZGRUSLSA-N 339.382 2.730 0 50 EFAA CC1(C)CN(C(=O)[C@H]2CCc3nccn3C2)Cc2ccccc2O1 685865203 REPYXSKBRWXQLG-HNNXBMFYSA-N 325.412 2.645 0 50 EFAA Cc1ccccc1-n1nc(C)c(CNS(=O)(=O)CCCF)c1C 1775988597 YPEUSQUUBUDULY-UHFFFAOYSA-N 339.436 2.577 0 50 EFAA O=C(NN1CCC(O)CC1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 1775993926 OMYPKQVEDAEVCR-ABSDTBQOSA-N 328.456 2.523 0 50 EFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@]2(CCC[C@H]2O)C1 1704302433 KSAOMNUHPJPWFW-YLJYHZDGSA-N 342.439 2.581 0 50 EFAA CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 5252704 AXFMHJOJYLUQLP-UHFFFAOYSA-N 331.397 2.780 0 50 EFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 5246631 ZXNWOOUCRAEBLI-GOSISDBHSA-N 344.798 2.952 0 50 EFAA COc1cc(NC(=S)NC[C@@H]2CCCO2)c(OC)cc1Cl 13497415 BJXITOUVJXFZEW-VIFPVBQESA-N 330.837 2.823 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1C 13945970 MVWCWJLLZKRAPD-UHFFFAOYSA-N 340.423 2.975 0 50 EFAA CO[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 14632655 AMDUDUCMSBVPRB-INIZCTEOSA-N 327.336 2.582 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)C1CCC1 14976094 YMSHDXGZDRLGBB-KRWDZBQOSA-N 338.411 2.602 0 50 EFAA CCCOc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 15019423 KNQGXWALZPFHIE-UHFFFAOYSA-N 340.379 2.840 0 50 EFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1csc2ccccc12 1857690343 HSBCFBAKGNPQIT-JKIFEVAISA-N 342.464 2.883 0 50 EFAA CCc1cccc(C)c1NC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857712417 AQMUFBMNRBHKHI-QZTJIDSGSA-N 343.471 2.884 0 50 EFAA O=C(Nc1cscc1S(=O)(=O)c1ccccc1)[C@H]1CCOC1 1857712751 GERKUWWXEMZTHO-NSHDSACASA-N 337.422 2.556 0 50 EFAA COc1ccc(CCC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1F 408469640 PONVUKFADBJUFN-OAHLLOKOSA-N 346.406 2.947 0 50 EFAA CC(C)c1cccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1 328607343 VTIQNIPWTASFMA-ZWKOTPCHSA-N 329.448 2.562 0 50 EFAA CCOc1ccc(CCC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 337628204 SWPJRPZBBAMKBY-QGZVFWFLSA-N 346.471 2.781 0 50 EFAA OC[C@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1OC(F)(F)F 657999797 LZAVTBGYNOHVFF-AAEUAGOBSA-N 331.334 2.920 0 50 EFAA Cc1cc(Br)cc(C(=O)N(CCO)Cc2cccnc2)c1 134983576 IOJRYAJELTUMNP-UHFFFAOYSA-N 349.228 2.787 0 50 EFAA COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@@H]43 252441071 CZLWGXKWXLVFJU-OCIQKRMFSA-N 338.451 2.786 0 50 EFAA biogenic O=C(Cc1cccs1)NC[C@@H]1CCN(CCc2ccccc2)C1 264281643 IMMUXHKFVBOGBW-KRWDZBQOSA-N 328.481 2.971 0 50 EFAA Cc1nc(N2CC[C@@H](C)[S@@](=O)CC2)sc1C(=O)OC(C)(C)C 822427155 WNWNBQCEWRXMSN-STFLBKPXSA-N 344.502 2.754 0 50 EFAA CC(=O)N[C@H]1Cc2ccccc2N(Cc2nc(C(C)C)ns2)C1 930066859 UFBRAVUCARGLGP-AWEZNQCLSA-N 330.457 2.729 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccnc(OC)n1 931028766 HDZGSMWGMGXMSX-MRXNPFEDSA-N 327.384 2.643 0 50 EFAA COc1cccc(NC(=O)N2CCN(c3ccnc(F)c3)CC2)c1F 836528344 NGQZVEAEOBPVSF-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA CC(C)n1ccc(CC(=O)N2CCC[C@@](O)(c3ccccc3)C2)n1 862805002 OHCXZMIYFMTKKA-IBGZPJMESA-N 327.428 2.517 0 50 EFAA O=C(OCCC(F)(F)F)N1CCC[C@@H](c2nnc3ccccn23)C1 866984457 RQRBFAWMHQMTJH-LLVKDONJSA-N 342.321 2.998 0 50 EFAA Cn1cnc(CCN=c2cc[nH]cc2C(F)(F)F)c1Br 952995015 AGRZNARWZWNXNM-UHFFFAOYSA-N 349.154 2.673 0 50 EFAA Cc1cc(CC(=O)NC[C@H](CCO)c2ccncc2)ccc1Cl 1875329471 XLLZSDSIFODNLH-INIZCTEOSA-N 332.831 2.868 0 50 EFAA CC1(CS(C)(=O)=O)CN(Cc2ccc(-c3ccsc3)nc2)C1 1875404549 MIDJWKFCZPBPGY-UHFFFAOYSA-N 336.482 2.677 0 50 EFAA CCN1C(=O)C[C@@H](CNc2noc(C(C)(C)C)n2)[C@@H]1c1cccnc1 886048323 GKZLRYOGJJAUTB-ZFWWWQNUSA-N 343.431 2.784 0 50 EFAA CS(=O)(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccn3)c2)C1 893613646 LNYJYTNACGILBK-KRWDZBQOSA-N 346.452 2.883 0 50 EFAA Cc1cc([C@@H](C)NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)c(C)o1 1775959575 HKULCQLINLRATM-SIIHOXLZSA-N 344.459 2.890 0 50 EFAA C[C@H]1C[C@@H](NCc2nnc3ccccn23)CN(Cc2ccccc2)C1 136893057 AEEXITJTXLTQPL-FUHWJXTLSA-N 335.455 2.730 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H]1C[C@@]1(C(=O)O)C(C)C 899780882 JYWKSLVNKJIWCQ-UCMVZMLTSA-N 335.448 2.871 0 50 EFAA COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CC[C@H](C)C2 31817 RNQYAAHKVJTRTR-VIFPVBQESA-N 331.397 2.702 0 50 EFAA CC(=O)c1cnc(N2CCC3(CC2)C[C@H]3C(=O)N2CCCC2)s1 2325780512 OMWFNFLTABDGMX-ZDUSSCGKSA-N 333.457 2.575 0 50 EFAA CC1(C)CO[C@@H](CC(=O)O)CN1Cc1ccnn1C1CCCCC1 2325788196 SBFLAWGIVGJOAC-INIZCTEOSA-N 335.448 2.842 0 50 EFAA COc1cc(CN2CCC([C@H](OC)C(=O)O)CC2)c(F)cc1Cl 2325788335 ZAKOKTWVHSOFSC-HNNXBMFYSA-N 345.798 2.799 0 50 EFAA Cc1ccc2cc(-c3cnc(C(=O)N4CCC[C@@H](N)C4)cn3)ccc2n1 2325796849 VEVGYJDCHLFBHY-MRXNPFEDSA-N 347.422 2.564 0 50 EFAA O=C(N[C@H]1C[C@@H](COc2ccccc2)C1)c1ccc2c(O)nncc2c1 2325805093 OWTXYGZBDNCFGV-AKAXFMLLSA-N 349.390 2.923 0 50 EFAA CCCNC(=O)[C@@H]1CCCN(c2cc(C)c3ccc(O)cc3n2)C1 2325868730 IEFIQUYECBATGW-CQSZACIVSA-N 327.428 2.991 0 50 EFAA CCc1c[nH]c2ncnc(N3CCC[C@H](c4nnc5ccccn45)C3)c12 891610749 SHEJIBPEJDXTDO-AWEZNQCLSA-N 347.426 2.947 0 50 EFAA O=C(O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1 529005 ZRDYOYATJQGXGM-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348235672 BEGRXPCJHHHTBO-WMLDXEAASA-N 337.354 2.717 0 50 EFAA NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 794310 ZTZSMYHQKPBIFR-CYBMUJFWSA-N 344.798 2.757 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)no1 1072135 LMCAQTBGWLSJMV-LLVKDONJSA-N 333.775 2.936 0 50 EFAA CC(C)c1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 4072263 AISXUWUVMDNJND-UHFFFAOYSA-N 344.396 2.567 0 50 EFAA COc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1OCC(N)=O 6746469 QGHIAYOTIMBGMT-UHFFFAOYSA-N 344.455 2.618 0 50 EFAA Cc1ccccc1CN(CCN(C)C)Cc1ccc(O)c(C(=O)O)c1 55243672 DFBQYMKXSPPYMM-UHFFFAOYSA-N 342.439 2.963 0 50 EFAA Cc1cccc(CS(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 10544104 MQDBBNVZCOLONI-CALCHBBNSA-N 338.517 2.782 0 50 EFAA 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333.391 2.906 0 50 EFAA CC(C)N(Cc1cccs1)C(=O)CS(=O)(=O)C1CCCC1 332272980 GTHZFRYNDNIWTD-UHFFFAOYSA-N 329.487 2.843 0 50 EFAA COCCn1ccc(NC(=O)Nc2cccc(-c3ncco3)c2)n1 156678357 NDABZLHUZMVTJC-UHFFFAOYSA-N 327.344 2.829 0 50 EFAA Cn1cc([C@@H](NC(=O)c2scc3c2CCCC3)C2CC(O)C2)cn1 219153989 FUWCEFUOGUHAHH-PXCJXSSVSA-N 345.468 2.602 0 50 EFAA CCn1cc(C(=O)Nc2cnc3c(c2)COCC3)c(C(F)(F)F)n1 370472070 UWTCSANGUHKLHH-UHFFFAOYSA-N 340.305 2.642 0 50 EFAA O=C(c1ncccc1O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72425972 DMEJDPQIASLVDU-ZDUSSCGKSA-N 326.331 2.780 0 50 EFAA OC1(c2cccc(C(F)(F)F)c2)CCN(C[C@@H]2CCCNC2)CC1 72425092 BXBKMNGCSZSAIB-CQSZACIVSA-N 342.405 2.988 0 50 EFAA Cc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1F 13325069 YLEDDJIZXQAUMZ-UHFFFAOYSA-N 328.391 2.879 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)NC1(C(=O)O)CCCC1 237753493 ICWXKDRHXJFIPN-UHFFFAOYSA-N 326.396 2.908 0 50 EFAA CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 456798336 KWSMWYGNFISVNJ-UONOGXRCSA-N 340.427 2.622 0 50 EFAA 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EFAA Cn1cc([C@@H]2CCCN2C(=O)c2cc(COC(C)(C)C)on2)cn1 184401328 VZJDWJCIYIFJAG-HNNXBMFYSA-N 332.404 2.701 0 50 EFAA Cc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(CC(C)C)CC1)N2 299768452 NTZCBFJNXXGIRT-LJQANCHMSA-N 329.488 2.816 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1n[nH]c2c1CCCCC2 299780125 ACUZWWRGEBKFDZ-ZDUSSCGKSA-N 329.448 2.793 0 50 EFAA Cc1cnc(C2(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)CCOCC2)[nH]1 1364294017 FSXFDQMKABDZBW-QFBILLFUSA-N 339.439 2.818 0 50 EFAA Cc1ccc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1O 1337319530 KXPIHRXOIXDRQM-FQEVSTJZSA-N 348.406 2.536 0 50 EFAA CCCc1cc(C(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)no1 1411412256 YYXVYRKKABMGHG-UHFFFAOYSA-N 349.412 2.747 0 50 EFAA CC1CCC([C@H](N)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 958528839 WNDFWHGAPKRIPZ-NRXISQOPSA-N 326.481 2.902 0 50 EFAA CCCn1cc(S(=O)(=O)N(C)Cc2cccc3cnccc23)cn1 952977407 NCJCYQNTDPPGSE-UHFFFAOYSA-N 344.440 2.662 0 50 EFAA COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cccc2c1OCC2 1449480620 GDCXYFNYLMNNOC-OAHLLOKOSA-N 347.798 2.747 0 50 EFAA CCC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 408520869 RHBOFKKFYLCNQC-UHFFFAOYSA-N 331.185 2.773 0 50 EFAA C[C@@H]1COCCN1C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 408517931 PMQMKZNOUKVPFI-GFCCVEGCSA-N 340.826 2.804 0 50 EFAA CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NCC2CC2)c1 408515804 RDXHNQJHVGXPLC-UHFFFAOYSA-N 339.461 2.605 0 50 EFAA NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2Cc3ccccc32)c1 408512991 LWFKJXYGVGJGLH-MRXNPFEDSA-N 335.407 2.664 0 50 EFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Nc2ccsc2)C1 275712317 GPVSKUOGMAMNQE-CYBMUJFWSA-N 332.429 2.894 0 50 EFAA C[C@@H](c1cnccn1)c1noc([C@@H](C)n2ccc(C(F)(F)F)n2)n1 632177650 BBAZJVJMAHKTNF-DTWKUNHWSA-N 338.293 2.836 0 50 EFAA CCC(=O)[C@H]1CCCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 170599368 QUZIRULJADXHHD-GFCCVEGCSA-N 335.404 2.965 0 50 EFAA Cc1ccc(F)cc1CNc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 170592856 GIWCCCYAMKQJGE-AWEZNQCLSA-N 342.418 2.843 0 50 EFAA CC[C@@H](C)CS(=O)(=O)NC(=O)[C@@H]1SCCc2ccccc21 170645731 NWSRXDFMXVYYPS-BXUZGUMPSA-N 327.471 2.509 0 50 EFAA Cc1coc(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 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EFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2244129 XDJSTMCSOXSTGZ-NSHDSACASA-N 344.205 2.970 0 50 EFAA in-vitro Cn1cncc1C(=O)Nc1cnn(-c2ccccc2Br)c1 225475382 LFBCGSNCJZXDCN-UHFFFAOYSA-N 346.188 2.621 0 50 EFAA Cc1cc(C)c2cc(C(=O)N3CCO[C@@H](c4nnc(C)o4)C3)[nH]c2c1 328611111 KLYGQENMBZPWLK-MRXNPFEDSA-N 340.383 2.690 0 50 EFAA Cn1cnnc1C1CCN(C(=O)NCc2ccccc2Cl)CC1 124581855 RPOLVCKAMOUONK-UHFFFAOYSA-N 333.823 2.558 0 50 EFAA COc1cc(OC)nc(N2C[C@H](c3ccccc3C)OC[C@H]2C)n1 672231366 RYVZOEKNDVFODJ-UKRRQHHQSA-N 329.400 2.769 0 50 EFAA O=C(N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)C1(O)CCCC1 370142228 LAIRNIYHIINILO-LBPRGKRZSA-N 332.375 2.978 0 50 EFAA Cc1nc(CCCC(=O)N2CCn3nc(C4CC4)cc3C2)cs1 834454635 QEQOMCPCKABMRQ-UHFFFAOYSA-N 330.457 2.891 0 50 EFAA CC[C@H]1C(=O)NCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 933227397 UTTLAXUPCFRAHZ-ZDUSSCGKSA-N 344.242 2.532 0 50 EFAA COC(C)(C)CCN(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952879132 AIESLZVEDVTMGD-LLVKDONJSA-N 334.386 2.650 0 50 EFAA Cc1cccc2c(CC(=O)NCc3cc(O)nc(C4CC4)n3)c[nH]c12 952994966 YFSOLHYWUHSIFK-UHFFFAOYSA-N 336.395 2.708 0 50 EFAA C[C@]1(CNC(=O)c2ccc(-c3cccc(CN)c3)cc2)CCCNC1 1875287527 NCTGFXCRWGTUAG-NRFANRHFSA-N 337.467 2.932 0 50 EFAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2cc(-c3ncccn3)ncn2)C1 1875305317 QJMGSETYNWJAGV-WTTBNOFXSA-N 339.443 2.700 0 50 EFAA C[C@](O)(CNCC1CCCCC1)C(=O)N[C@@H]1CCc2ccccc21 1875325979 IZPMHFZSMSBWAH-QUCCMNQESA-N 330.472 2.711 0 50 EFAA Cc1c(Cl)cccc1N1CCCN(C(=O)/C=C/CN(C)C)CC1 1875387519 LSWAKGAZYXNFHM-WEVVVXLNSA-N 335.879 2.805 0 50 EFAA Fc1ccccc1-c1cnc(CN[C@H]2CCO[C@@H]2c2cc[nH]n2)o1 886078253 SAHIJYZMIIWPJT-GUYCJALGSA-N 328.347 2.824 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CO1)N[C@H]1CC[C@@H](OC(F)F)C1 888100025 XKNXYLOZVAQAIY-ZNMIVQPWSA-N 340.370 2.587 0 50 EFAA COc1ccccc1-c1ccc(C(=O)N[C@@H]2COCC[C@H]2OC)s1 889183956 MJZGJHDIMHCIBA-UKRRQHHQSA-N 347.436 2.957 0 50 EFAA COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1 6121822 XXSQRDQEUWYIBJ-UHFFFAOYSA-N 326.805 2.531 0 50 EFAA Cc1nc(NC(=O)[C@@H]2CN(C)CCO2)cc(-c2ccccc2)c1C 2100482321 QQJJCTTVCXPISZ-KRWDZBQOSA-N 325.412 2.635 0 50 EFAA Cc1cc(Br)cn2c(CN[C@@H](C)c3cc[nH]n3)cnc12 2325732850 WYJFFSIQSWSLPN-JTQLQIEISA-N 334.221 2.979 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1OC 249181 JCKJVQJKQPDWNM-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1207265 YQIUQNDXOWAXRH-HNNXBMFYSA-N 338.812 2.898 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 1510822 OVGFROZNLLSDRN-UHFFFAOYSA-N 347.440 2.673 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1 2468927 HBYRTPWYVCHCLR-INIZCTEOSA-N 346.180 2.862 0 50 EFAA COc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1C 4990220 YQJNGUIVACYDCQ-UHFFFAOYSA-N 327.428 2.729 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 10372299 KCDAIJJESAEWJH-UHFFFAOYSA-N 326.324 2.589 0 50 EFAA CCOc1cccc(CN(CCO)Cc2ccccc2C(=O)O)c1 55575357 KJYPANSRRYTRPB-UHFFFAOYSA-N 329.396 2.778 0 50 EFAA CCc1oc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1CN(CC)CC 55309080 XSYXHEGGXCOPCR-CQSZACIVSA-N 336.432 2.763 0 50 EFAA O=C(N[C@@H]1CCNC1)c1cccnc1SC/C=C/c1ccccc1 55308549 OWXQLYWXGMFNEM-CDVVCGDMSA-N 339.464 2.979 0 50 EFAA CCC(=O)c1ccccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 20653332 FEWGUZMNCJGGLQ-HZPDHXFCSA-N 335.444 2.784 0 50 EFAA CCNc1ncc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cn1 55392843 XPHSYQBHNXIXRW-HNNXBMFYSA-N 346.456 2.791 0 50 EFAA COCCN(Cc1cccs1)C(=O)c1ccccc1C(=O)OC 55271898 YCDRHXMAMVRXFD-UHFFFAOYSA-N 333.409 2.824 0 50 EFAA COc1cccc(CN2CCC[C@H](NCc3cnc(C)nc3)C2)c1 22851187 PRHSJSILYKKLHM-SFHVURJKSA-N 326.444 2.548 0 50 EFAA C[C@@H](C(=O)Nc1c(F)cccc1F)n1ncc2ccccc2c1=O 65362403 NRFRPQCRWXMEEE-JTQLQIEISA-N 329.306 2.874 0 50 EFAA O=C(CCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)N1CCc2sccc2C1 247759134 GHNVCAGEOJJTLU-AEVLCDIHSA-N 344.480 2.670 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3c[nH]nc3-c3ccccc3F)C2)n1 347408691 JFOMUKSNIKCIHY-NSHDSACASA-N 341.346 2.537 0 50 EFAA Cc1ccc2c(c1)CCCN2C(=O)CNc1ccccc1-c1nnn[nH]1 65506244 RUJPESOVNOEMON-UHFFFAOYSA-N 348.410 2.566 0 50 EFAA COc1ccc2c(c1)c(C(=O)N[C@H](C)CCn1cccn1)c(C)n2C 65528133 PTCMKTAZECBYIQ-CYBMUJFWSA-N 340.427 2.900 0 50 EFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)/C=C/c1cnn(C)c1 138394064 BUOGEEBLSXHPON-QPJJXVBHSA-N 329.356 2.557 0 50 EFAA Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)s1 229396237 IDNZHJWJZKHFSC-NGZCFLSTSA-N 334.363 2.691 0 50 EFAA COc1c([C@@H]2CCCN2C[C@@](C)(O)c2ccccc2)c(C)nn1C 229511127 QXAVROOZYMMSKX-QFBILLFUSA-N 329.444 2.782 0 50 EFAA O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1COc2ccccc2C1 78324486 QBTUXQSOADHEEC-QGZVFWFLSA-N 333.391 2.740 0 50 EFAA c1ccn2c(C3CCN(Cc4ccc5cn[nH]c5c4)CC3)nnc2c1 120895674 VGCQGOKWBMDAMW-UHFFFAOYSA-N 332.411 2.985 0 50 EFAA Cc1ccc(C)c(N2N=C(C(=O)Nc3nocc3C)CCC2=O)c1 124067668 JCWIUKLKSDSLTB-UHFFFAOYSA-N 326.356 2.721 0 50 EFAA Cc1csc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 253420806 LTNFLQHBQPFFCW-UHFFFAOYSA-N 328.441 2.932 0 50 EFAA O=C1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(F)c(F)c2)CCN1 122734853 XCNVLQOSCNNHEE-QGZVFWFLSA-N 344.361 2.597 0 50 EFAA Cc1ocnc1C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328633397 SPTAGBAYEDRZKS-JTQLQIEISA-N 342.321 2.533 0 50 EFAA O=C(CCc1cnccn1)N1CCC(O)(c2ccccc2Cl)CC1 253427582 CUPVVVSPVPPBQL-UHFFFAOYSA-N 345.830 2.573 0 50 EFAA Cc1nc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)sc1C 357682676 FTJJQNMINZJVEF-HNNXBMFYSA-N 331.441 3.490 0 50 EFAA COc1ccc(Cl)c2c1N(C(=O)c1cc3n(n1)CCCO3)CCC2 330337860 UNXVXLRHDPBLMK-UHFFFAOYSA-N 347.802 2.921 0 50 EFAA CC(=O)N1CCN([C@@H]2CN([C@H]3CCCc4ccccc43)C[C@H]2C)CC1 257366121 KAHUIWPUGPLRLY-TYCQWZJGSA-N 341.499 2.548 0 50 EFAA COc1ccc(OC2CCN(C(=O)C[C@H](C)n3ccnc3)CC2)cc1 77322399 AQWWLPCBOVLPPT-HNNXBMFYSA-N 343.427 2.913 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)n(C)n1 77504894 IDNBSHILBKNRLN-CQSZACIVSA-N 337.427 2.933 0 50 EFAA CCCn1ccnc1CN1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 77427718 MMEAXLMLTHNALS-IBGZPJMESA-N 330.476 2.660 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccnc1)N(C[C@H]1CCCO1)[C@H]1CCSC1 240912238 IWSVJONTRHKWBT-VVLHAWIVSA-N 332.469 2.698 0 50 EFAA CC[C@@H]1C(=O)NCCN1Cc1ccc(OC)c2cccc(OC)c12 215494410 AKDKSVLBPWELMJ-OAHLLOKOSA-N 328.412 2.567 0 50 EFAA COCc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)cc1 261604793 CLTVNOBSGYUUBG-QGZVFWFLSA-N 325.364 2.657 0 50 EFAA O=C(N1CCC[C@@](O)(CO)CC1)C1(c2ccccc2)CCCCC1 72164492 PLJONQWUWKNQMX-IBGZPJMESA-N 331.456 2.624 0 50 EFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnc2n1CCCC2 372154856 BWECUBLSTYSVLY-QGZVFWFLSA-N 338.455 2.786 0 50 EFAA Cc1nc(C2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)no1 216016349 BSEIGIMGQRMTSM-UHFFFAOYSA-N 345.374 2.886 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2ccccn2)no1 262333597 FGAWXVFEUSXAMT-UGFHNGPFSA-N 341.367 2.595 0 50 EFAA COCc1nc(C)cc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 129274145 SOVYZDSSBRJGJE-SWLSCSKDSA-N 335.354 2.522 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 77374897 XPYKEVRFKAQLFC-IBGZPJMESA-N 329.444 2.802 0 50 EFAA Cn1ccc([C@@H](NC(=O)C2CCOCC2)c2ccc(Cl)cc2)n1 241338682 MDAAICYSHHHFPR-INIZCTEOSA-N 333.819 2.706 0 50 EFAA O=C(O)C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cccs1 238026650 HKPICACHRIKJDP-AWEZNQCLSA-N 341.392 2.880 0 50 EFAA COCCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72423943 PZGMACJIZVKVLC-UHFFFAOYSA-N 331.847 2.988 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@H](COc2ccc(F)cc2)C1 77338991 IZESIACXEZRCGH-HNNXBMFYSA-N 331.391 2.730 0 50 EFAA Cn1ccc2ccc(NC(=O)NC3CCC(S(C)(=O)=O)CC3)cc21 173813290 HBZUIQCIBBAFRM-UHFFFAOYSA-N 349.456 2.656 0 50 EFAA O=C(Cc1noc2ccccc12)NCc1nncn1C1CCCCC1 220522134 MBAFREOOOFTRTR-UHFFFAOYSA-N 339.399 2.783 0 50 EFAA Cc1noc(C(C)(C)NC(=O)c2sccc2Br)n1 284993796 SBPBTSSVOCVHHT-UHFFFAOYSA-N 330.207 2.867 0 50 EFAA CCCOC[C@@H]1CCN(C(=O)NCCc2nc3ccccc3n2C)C1 426526866 MISIFLRNKHTDNI-OAHLLOKOSA-N 344.459 2.574 0 50 EFAA C[C@@H]([C@@H]1COc2ccccc2O1)n1cnc2c(F)cccc2c1=O 43027630 IXZIDUWLYNLZLW-ZBEGNZNMSA-N 326.327 2.937 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2nccn2c1 222952225 RMFAEPAUGSLSQA-QGZVFWFLSA-N 337.427 2.924 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)C(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95388917 CRFXZTHGCFEUKK-IPMKNSEASA-N 328.456 2.740 0 50 EFAA COc1cc(N2CCC[C@H](c3nccn3CC3CCC3)C2)ncn1 95354955 BMHFSIXYNJXXJQ-HNNXBMFYSA-N 327.432 2.866 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CC=C(c3ccnn3C)CC2)s1 292560761 YARJQZJYNAVGBZ-UHFFFAOYSA-N 337.470 2.576 0 50 EFAA CCc1c(-c2nc(CCSC)nn2CC(=O)O)[nH]c2ccccc12 97756540 NEWSLAGRLYUEGL-UHFFFAOYSA-N 344.440 2.979 0 50 EFAA CCc1nnc(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)s1 95512730 FBXNEFPHEVTJOQ-UONOGXRCSA-N 336.505 2.761 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)[C@@H]3C[C@H](C)CC(=O)N3)c2C)c1 293465553 ULXHXEBDZQAJSZ-WFASDCNBSA-N 340.427 2.651 0 50 EFAA C[C@H](O)c1cccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 95530452 CCIPODQLAQRISF-HNNXBMFYSA-N 329.419 2.986 0 50 EFAA O=C(c1ccsn1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 295685698 NAAUPFRAOLFHMX-SECBINFHSA-N 330.335 2.836 0 50 EFAA OC[C@@]1(NCc2cccc(OCc3ccccc3F)c2)CCOC1 184199393 VHGPFVBBBOBCRK-IBGZPJMESA-N 331.387 2.646 0 50 EFAA Cc1cc(C)n(CC2(CNc3cc([C@H]4CCOC4)ncn3)CC2)n1 299779492 FVSYVUYXAXRRGR-HNNXBMFYSA-N 327.432 2.686 0 50 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EFAA C[C@H]1C[C@@H](CCNC(=O)c2cccc(OCC(F)F)n2)CCO1 273468800 FDDOWLYFBDCSNI-RYUDHWBXSA-N 328.359 2.661 0 50 EFAA Cc1ncsc1-c1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 667471970 RWZRJNMYIPWEEC-OAHLLOKOSA-N 336.482 2.737 0 50 EFAA O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 188435508 UXOOJIHZEKXGIU-ZIAGYGMSSA-N 342.892 2.899 0 50 EFAA COC(=O)c1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)s1 191219104 VLAFUAKXKAINOP-CYBMUJFWSA-N 337.470 2.558 0 50 EFAA CO[C@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2)C1 191372402 KWYCWFQNNBWXQF-STQMWFEESA-N 327.222 2.816 0 50 EFAA C[C@@H](O)CN1CCC(CN(C)Cc2ccc(Br)o2)CC1 191338112 WDYGYHCRLVRGDS-GFCCVEGCSA-N 345.281 2.567 0 50 EFAA NC(=O)c1cc(NC(=O)NC2(Cc3ccccc3)CC2)ccc1F 681387573 LSXBFEIJTPHPNT-UHFFFAOYSA-N 327.359 2.821 0 50 EFAA CC(=O)CSCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 192805075 UHJZWDYWJURTHI-HIFRSBDPSA-N 345.823 2.748 0 50 EFAA Cc1cnc(OC2CCN(CCc3ccccc3C(=O)O)CC2)nc1 656191018 JTSZAHVBGOZYIN-UHFFFAOYSA-N 341.411 2.569 0 50 EFAA 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CNC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 264060238 CNYPAEUIIGBUMI-CYBMUJFWSA-N 341.411 2.719 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1nc2ccccc2n1C 825509900 SIXCZKGCTFCDSX-KBXCAEBGSA-N 339.443 2.564 0 50 EFAA Cc1nccc(CNC(=O)c2cc(Br)cnc2C2CC2)n1 930293460 SJSJMXWAHOCUQC-UHFFFAOYSA-N 347.216 2.750 0 50 EFAA O=C(O)[C@@H](c1ccsc1)N1CCC(OC[C@@H]2CCCO2)CC1 846243225 DTHXDYGYBHNKOU-LSDHHAIUSA-N 325.430 2.534 0 50 EFAA Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(N(C)C)n1 846796220 FZCCBCOXWAGGHM-RWMBFGLXSA-N 348.447 2.713 0 50 EFAA CCc1nc(Cc2noc(COc3ccc(CO)cc3)n2)cs1 952876453 QZKRDGKVOMUJBY-UHFFFAOYSA-N 331.397 2.751 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CCN1C 952994927 WTYJMZNTVFKPQP-ZOBORPQBSA-N 349.441 2.685 0 50 EFAA CC(C)c1nc(S(=O)(=O)Nc2ccc(C(F)F)nc2)cn1C 1875280120 VQRNJHQZOHGLRX-UHFFFAOYSA-N 330.360 2.677 0 50 EFAA CN1CC[C@H](NC(=O)c2cnc3c(c2)C(=O)CCC3)c2ccccc21 1875271629 HQUYUKGSYDIFDP-KRWDZBQOSA-N 335.407 2.912 0 50 EFAA 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CN(Cc1ccc2nsnc2c1)Cc1noc([C@@H]2CCCO2)n1 243893608 ASSFAMZCTIJEMW-ZDUSSCGKSA-N 331.401 2.558 0 50 EFAA C[C@H](O)[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 182466216 UNAUOACVKMELTM-QWRGUYRKSA-N 341.242 2.777 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F 299744412 OQOLHFRKBDZNIL-CJNGLKHVSA-N 348.324 2.670 0 50 EFAA CCc1ncnc(N2CCCN(C(=O)c3ccsc3)CC2)c1F 270551187 HJUXZSMIDFXXFD-UHFFFAOYSA-N 334.420 2.592 0 50 EFAA C[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cnc2ccccc21 299757872 CQHJCEOKWGQGAL-ZDUSSCGKSA-N 337.427 2.906 0 50 EFAA COc1cccc(-c2ncc(CNC(=O)C3CCOCC3)s2)c1 299760068 QJHAWMMTXZSZRK-UHFFFAOYSA-N 332.425 2.862 0 50 EFAA O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)Nc1ccccc1 1424647380 AOELQATZHRNRKD-SNVBAGLBSA-N 339.321 2.725 0 50 EFAA C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H](C2CCN(C)CC2)C1 270219829 MKTDXNNJXKDILA-QFBILLFUSA-N 330.472 2.782 0 50 EFAA CC[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N(C)C 268702881 ACIQPDHEQAJLJQ-KRWDZBQOSA-N 337.895 2.761 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1c1ccnc(-c2ccccc2)n1 408519668 OYDFUGWQUQNICN-HNNXBMFYSA-N 331.441 2.547 0 50 EFAA CO[C@@](C)(C(=O)NCc1ccc(OC(C)=O)cc1)c1ccccc1F 408517864 OGIHMDVFVJGXIZ-LJQANCHMSA-N 345.370 2.929 0 50 EFAA Cc1cnc2c(S(=O)(=O)NC(=O)C3CC4(CCC4)C3)cccc2c1 408502017 RTMJBPMVXICQTP-UHFFFAOYSA-N 344.436 2.928 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 184482441 WBVGHRUQHKQXRI-MRXNPFEDSA-N 325.368 2.599 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)CCO1 270935580 UUOWJNLCPMNMML-SIXLDLHFSA-N 332.444 2.538 0 50 EFAA C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@H](c2ccccc2)CO1 185960179 JWYFJXMNFKPICY-UGSOOPFHSA-N 338.407 2.855 0 50 EFAA O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC1(Cl)Cl 170645148 NTHYXRIZSMGTMF-KOLCDFICSA-N 342.144 2.747 0 50 EFAA Cc1nc(N2C[C@H](C)OC3(CCOCC3)C2)ccc1Br 279541566 SCYORXGLRZMFDM-NSHDSACASA-N 341.249 2.927 0 50 EFAA CNC(=O)c1cc(Br)ccc1NCC[C@@H]1CCCO1 189670270 JOMLIKICUXBCDB-NSHDSACASA-N 327.222 2.790 0 50 EFAA O=S(=O)(CCc1cccs1)NCc1ccn(C2CCCC2)n1 189746011 ZPZSKEOLRGSMRQ-UHFFFAOYSA-N 339.486 2.722 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 190638653 POKRSVBEXHUWBK-GOSISDBHSA-N 341.430 2.744 0 50 EFAA Cc1csc2c(N3CCCN(c4cccnn4)CC3)ncnc12 192567446 YQQQREVWCCOWCS-UHFFFAOYSA-N 326.429 2.506 0 50 EFAA COc1cccc([C@H](NC(=O)[C@H]2CCOc3ccccc32)C(=O)O)c1 659175405 NATGYLIQLUXVHF-RDJZCZTQSA-N 341.363 2.503 0 50 EFAA NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)C1CCC2(CC1)CC2 685942775 VNTKTPCCRRRWFI-CQSZACIVSA-N 330.432 2.533 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)NCc2cccs2)CC1 1506428155 XNSGTFNBALSMRJ-UHFFFAOYSA-N 330.457 2.873 0 50 EFAA Cc1noc([C@@H](C)N(C)S(=O)(=O)Cc2ccc(Cl)cc2F)n1 1506423852 GFXZQHAQLAVNAX-MRVPVSSYSA-N 347.799 2.693 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)C[C@H](C)N(C)C)cc1 1529126342 CYNZSLBTUSMTDU-LBPRGKRZSA-N 330.432 2.683 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1cccc(C(F)(F)F)c1 1704313174 HMGKAWYEVUBPLJ-UHFFFAOYSA-N 340.349 2.633 0 50 EFAA COc1nc(NCCc2nc(-c3ccc(C)cc3)no2)ncc1F 1772702348 RTPCWQPSDIYOCL-UHFFFAOYSA-N 329.335 2.637 0 50 EFAA Cc1ccc2nc(CN(C)C[C@H]3CCC(=O)N(C(C)C)C3)[nH]c2c1 1775983675 QVTWDSBBVWBGAG-OAHLLOKOSA-N 328.460 2.950 0 50 EFAA O=C(Cc1cccnc1)N1CCCN(c2ncc(Cl)cc2F)CC1 1772805942 RRXXWRLUBQTIBN-UHFFFAOYSA-N 348.809 2.551 0 50 EFAA Cn1ccc(C2CCN(C3CCC4(CCNCC4)CC3)CC2)cc1=O 1772816911 BEQCYWNHVBBYSC-UHFFFAOYSA-N 343.515 2.877 0 50 EFAA CN1CCN(C(=O)c2ccc(-c3ccccc3F)cc2)CCC1=O 14989977 KKSHEVXSJBBTMY-UHFFFAOYSA-N 326.371 2.797 0 50 EFAA COc1ccc(/C=C2/SC(=O)N(CN3CCCC3)C2=O)cc1OC 19418436 KRDXEJYUUSSXRK-XNTDXEJSSA-N 348.424 2.793 0 50 EFAA C[C@@H]1CC2(CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)CO1 1857671404 RMRLRWIWJGYWDL-CYBMUJFWSA-N 325.412 2.729 0 50 EFAA Cc1[nH]nc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1C 408021797 KDPZZHBZDMSZFA-UHFFFAOYSA-N 334.370 2.657 0 50 EFAA C[C@H](CC(=O)N1CCC(N2CCCCC2=O)CC1)c1ccncc1 122443192 CGIKKTRHNNPYHB-OAHLLOKOSA-N 329.444 2.579 0 50 EFAA Cc1cc(=NCC2([S@@](C)=O)CC2)c2cc(OC(F)F)ccc2[nH]1 440564220 ZQCOTZSFNJBDOH-HSZRJFAPSA-N 340.395 2.890 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2nc[nH]n2)c1 253416295 XDHYGSUDPZWQMS-SECBINFHSA-N 328.825 2.621 0 50 EFAA CC[C@H](NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)[C@H](O)C(F)(F)F 677974743 QFHXOVSIJFXSIA-LMRQPLJMSA-N 343.345 2.545 0 50 EFAA CCc1cc(=NC(=O)c2cnn(C)c2SC)c2ccccc2[nH]1 362491180 DEBWAAKJMZXZLP-UHFFFAOYSA-N 326.425 2.927 0 50 EFAA CS(=O)(=O)c1cc(NCc2nccn2C2CC2)ccc1Cl 902593073 DOLHSPTYBKEWAP-UHFFFAOYSA-N 325.821 2.887 0 50 EFAA Cc1c(NS(=O)(=O)c2cc(C3CC3)nn2C)noc1C(C)(C)C 903647703 MMFOSABCHQCRHI-UHFFFAOYSA-N 338.433 2.692 0 50 EFAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1Cl 1704327414 SNKVCCOUXJEGHZ-SJLPKXTDSA-N 336.863 2.567 0 50 EFAA Cc1[nH]ccc(=NC(=O)NC[C@]2(C)CCCCO2)c1Br 931017483 QGQUKPNWDRSIFA-AWEZNQCLSA-N 342.237 2.655 0 50 EFAA Oc1nncn1C1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 846885462 LKKJBSWAHWVOCS-GOSISDBHSA-N 338.411 2.507 0 50 EFAA CCc1nc(C(=O)N=c2c(C)c[nH]cc2Br)cs1 1875276229 LMAWGJAKSPKXET-UHFFFAOYSA-N 326.219 2.846 0 50 EFAA O=C(NCCc1nncs1)C1(c2cc(F)cc(F)c2)CCCC1 1875275509 GAFSYMCDVYQEQT-UHFFFAOYSA-N 337.395 2.987 0 50 EFAA O=S(=O)([C@@H]1CC12CCC2)N1CCN[C@H](c2ccccc2Cl)C1 1875397347 WTKFVKDHFNJUOM-LSDHHAIUSA-N 340.876 2.559 0 50 EFAA CC(C)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C(=O)O)OCC2(C)C)c1 1875354258 SGOBFBMBVMXZIG-CJNGLKHVSA-N 349.427 2.668 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1cccc(-c2cccnc2)c1 1875400361 XLSIYPYJGZOKJW-DUXKGJEZSA-N 348.450 2.874 0 50 EFAA Cn1cc(NC(=O)CCSc2ccccn2)c(Br)n1 877871357 NTQIBGNDALELIT-UHFFFAOYSA-N 341.234 2.699 0 50 EFAA COC1CCN(Cc2cn(CC[C@H]3CCCC3(F)F)nn2)CC1 887424648 BEHNQYVRUZGMFD-CYBMUJFWSA-N 328.407 2.714 0 50 EFAA O=C(c1coc(Br)c1)N1CCN(Cc2ccco2)CC1 298282807 RFLQBDHWLCQUPW-UHFFFAOYSA-N 339.189 2.593 0 50 EFAA Cc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1Cl 4512139 HTHUZTXFJZSJCQ-LLVKDONJSA-N 333.862 2.507 0 50 EFAA CN(Cc1ccc2cnccc2c1)C(=O)c1c[nH]nc1[C@@H]1CCCNC1 2325769172 PMIHSOMQWOZZMC-QGZVFWFLSA-N 349.438 2.697 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cc(-c3ccc(O)cc3)[nH]n2)[nH]c1C 2325859571 BMULZOCIYMBKSO-LLVKDONJSA-N 325.372 2.613 0 50 EFAA CCc1nc(O)ccc1C(=O)NC1CCN(c2ccccc2F)CC1 2356137103 FSEBFIDTYNKPFL-UHFFFAOYSA-N 343.402 2.888 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]21 2356150022 IOBOMGBFZJBLJP-ZLXGRDSLSA-N 327.424 2.829 0 50 EFAA O=C(NCc1cccc2ncsc12)c1cccc2c1OCCO2 2356157810 RWLVFBFKZWPZQJ-UHFFFAOYSA-N 326.377 2.998 0 50 EFAA O=C(CCc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 2852738 ZODSEMWKZXCFBN-UHFFFAOYSA-N 338.407 2.730 0 50 EFAA CC(C)c1ccc(-n2cc(CN3C[C@H]4C(=O)OC[C@H]4C3)cn2)cc1 2356162612 NFPQEUHBHVHSNY-SJLPKXTDSA-N 325.412 2.601 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CC)C2=O)cc1 6500115 DEYMRGFPFBMRFM-PBHICJAKSA-N 330.428 2.982 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1ccc(F)cc1 101390082 HSBQXLCOVUFDAI-QGZVFWFLSA-N 328.343 2.558 0 50 EFAA CC(C)CN1CCCC[C@H]1Cc1nc2c([nH]1)CC(C)(C)CNC2=O 65528015 NQWNOMUCGAPBOJ-AWEZNQCLSA-N 332.492 2.775 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(-n3cccn3)cc1)C2 102672837 IDBHGEZTZOLYRU-HALDLXJZSA-N 326.400 2.761 0 50 EFAA CNC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 246266478 LLYRKOBWKRPGFX-SOUVJXGZSA-N 337.261 2.763 0 50 EFAA CC(C)n1c(=O)n(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 101208813 AFOFVIBWSLOHFR-QDMKHBRRSA-N 342.443 2.567 0 50 EFAA in-vitro COc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1O 67675644 BMNFFXSFUGEZAO-OAHLLOKOSA-N 334.460 2.775 0 50 EFAA CCCn1ncc([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C 65417543 XPKULMWHXSXCMJ-AWEZNQCLSA-N 337.427 2.709 0 50 EFAA Cc1cccc(-c2noc(CN(C)Cc3ncccc3C(=O)O)n2)c1 65435529 LGNMTYRYSMFCGX-UHFFFAOYSA-N 338.367 2.770 0 50 EFAA Cc1ccc(NC(=O)NCCNc2nc(C)cc(N(C)C)n2)c(C)c1 67601941 JDCRJBXXVGBTQH-UHFFFAOYSA-N 342.447 2.701 0 50 EFAA CN(CCCC1CCCC1)C(=O)c1cc(CN2CCC(O)CC2)on1 67947260 YTIODSMOWAJWGL-UHFFFAOYSA-N 349.475 2.674 0 50 EFAA CC(C)Cc1nc([C@@H]2CCCN2C)n(-c2ccc3c(c2)OCO3)n1 65375883 BQFPFDIBVLYHNZ-AWEZNQCLSA-N 328.416 2.961 0 50 EFAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 252551339 UCMCSWMBVYHQFS-ZJIFWQFVSA-N 343.489 2.703 0 50 EFAA C[C@H]1C[C@H](NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)C[C@@H](C)O1 252513045 WZWUYVIGQMITLP-NBMJBFSESA-N 330.472 2.623 0 50 EFAA CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1(C)C 427467516 SMMPLPIDOFMUQC-HOTGVXAUSA-N 330.432 2.691 0 50 EFAA COc1c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccco2)c(C)nn1C 257365846 UTQPTDLLXZVVNY-RDBSUJKOSA-N 329.400 2.797 0 50 EFAA O=C(c1cn(Cc2cccs2)nn1)N1CCOc2ccc(F)cc21 122527902 DIVYUEFERWCFQX-UHFFFAOYSA-N 344.371 2.566 0 50 EFAA CN(Cc1cnc2ccccn12)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328656635 ZMWRLYWDOFFQEW-PXNSSMCTSA-N 335.455 2.854 0 50 EFAA COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCOC2)cc1 125177050 OBBHQWAQGFKANC-ZDUSSCGKSA-N 340.379 2.923 0 50 EFAA COc1ccc(CCNC(=O)N2CCC(NC(C)C)CC2)cc1F 171907079 MXKJAHAHLTZOGH-UHFFFAOYSA-N 337.439 2.549 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 362491574 YZVIFPBREXEXCA-HTQZYQBOSA-N 337.681 2.940 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3sc(C)cc3OC(F)F)C2)n1 331668523 ZKEPOEGPGUCVAL-VIFPVBQESA-N 343.355 2.979 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)CCc3ccccc3F)CC2)OC1=O 72130864 SHJYQBYZVPXEQH-SFHVURJKSA-N 334.391 2.592 0 50 EFAA COc1ccc(CN(C)Cc2ccc3c(c2)CN(C)C3)cc1C(=O)O 215186413 AHMBZUQRERNPRP-UHFFFAOYSA-N 340.423 2.971 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2cn(C)c3ccc(F)cc23)C1 369797948 AANCNXFPJWMDES-GFCCVEGCSA-N 326.375 2.681 0 50 EFAA O=C(Nc1ccc2nc(S)oc2c1)[C@@H]1CCCN(C(=O)C2CC2)C1 158427976 NFINTMGKQBZKSM-LLVKDONJSA-N 345.424 2.704 0 50 EFAA CC(C)[C@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(Cl)cc1 157366019 VMCXKSVZHPQATK-HNNXBMFYSA-N 338.791 2.522 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](C(=O)O)c1ccc(Cl)cc1 263125054 FFMZAUJQGMPYKV-PSLIRLAXSA-N 349.818 2.736 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@H]1CNCCO1 77515831 ASYIGANMBXRLJP-IBGZPJMESA-N 340.423 2.816 0 50 EFAA CN(C)c1ncccc1CN[C@H]1CCC(=O)Nc2ccc(F)cc21 376271417 VNGIFFDYKJGBLU-HNNXBMFYSA-N 328.391 2.850 0 50 EFAA O=C(O)C1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)CC1 263188603 FZIJENLPQVCQCW-UHFFFAOYSA-N 339.395 2.755 0 50 EFAA COc1ccc(C(=O)N2CCCC[C@H]2c2cc(C)on2)c(OC)n1 219680635 MQKBYOXVJXRTPQ-AWEZNQCLSA-N 331.372 2.763 0 50 EFAA COc1ccccc1Oc1ccc(NC2=CC(=O)N(C(C)=O)C2)cn1 218486235 NSUWCFQGBJHUHV-UHFFFAOYSA-N 339.351 2.567 0 50 EFAA CN(C(=O)C(=O)Nc1cccc(Cl)c1)[C@H]1CCCc2c1cnn2C 131252141 WNBNJAFDVXYDGL-AWEZNQCLSA-N 346.818 2.548 0 50 EFAA CCNC(=O)[C@H]1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1 72412067 KSZXRQDNVRCRGS-INIZCTEOSA-N 349.438 2.667 0 50 EFAA COc1cnc2ccccc2c1C(=O)NCC[S@](=O)C(C)(C)C 242263382 XYNXHXOUABCWPY-QHCPKHFHSA-N 334.441 2.520 0 50 EFAA COC[C@H]1CN(C(=O)c2cccc3ccc(C)nc23)CC(C)(C)O1 285653668 XWDXIWGGTIKCNG-OAHLLOKOSA-N 328.412 2.809 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ncc(C)s1 285664937 GRWOOAFNVLCTOH-YNEHKIRRSA-N 334.445 2.623 0 50 EFAA O=C(NC[C@H]1CCOC1)c1ccc(-c2ccc(O)c(C(=O)O)c2)cc1 426533635 AMFKDZZPPCPNSV-GFCCVEGCSA-N 341.363 2.524 0 50 EFAA CN(CC[C@H]1CCCCO1)C(=O)c1cc(Cl)ccc1OCCN 426518322 MEPGMVWYPRFDFS-CQSZACIVSA-N 340.851 2.709 0 50 EFAA CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 178607200 SUDMKSKZNADTRQ-NSHDSACASA-N 345.848 2.692 0 50 EFAA CO[C@@H]1CCCN(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)C1 97785320 XCYZSMMHGXECIP-OAHLLOKOSA-N 331.416 2.765 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1OC 239038953 FETVUYLKJWBUHT-GPRZHXQZSA-N 347.411 2.628 0 50 EFAA CS[C@H](C)Cc1cn(Cc2csc(-c3cnccn3)n2)nn1 91726048 MHOSDQFDXYIDCX-SNVBAGLBSA-N 332.458 2.534 0 50 EFAA CSCC[C@H](O)C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1 95388798 SJRXEYPQHMTVDC-HNNXBMFYSA-N 347.484 2.691 0 50 EFAA Nc1ccc([C@@H](C(=O)O)N2CCC(Cc3ccccc3)CC2)cn1 95381338 LDLTXVWIHMRCPU-SFHVURJKSA-N 325.412 2.744 0 50 EFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)s1 91708111 ZJTDMIMRVZCHNM-DZGCQCFKSA-N 332.469 2.920 0 50 EFAA Cn1cc(C(=O)O)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 238855609 SGANCOBZEIXPKJ-CQSZACIVSA-N 343.383 2.635 0 50 EFAA Cc1c(CN2CCC[C@H](CS(C)(=O)=O)C2)[nH]c2ccc(F)cc12 97514315 AMXVWDUEIZOMFG-ZDUSSCGKSA-N 338.448 2.872 0 50 EFAA CCCCc1nc(C)cc(NCCN2C[C@]3(CCOC3)CCC2=O)n1 91694331 PJZXYAREMZWKQI-LJQANCHMSA-N 346.475 2.569 0 50 EFAA CSCC1CCN(CCN2CCN(c3ccccc3)CC2)CC1 244633267 GACUVJKUSVNTSQ-UHFFFAOYSA-N 333.545 2.884 0 50 EFAA CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3F)s2)CCO1 182440741 RDJPIHHZCDACOB-OAHLLOKOSA-N 334.416 2.501 0 50 EFAA Cc1nn(C)c(C)c1OCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299746817 BGGZCPOANNCHDP-WFASDCNBSA-N 334.420 2.918 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN(Cc3ccnc(N(C)C)c3)C1)CCCC2 299739032 JRROSEKOIMKHEW-QGZVFWFLSA-N 339.487 2.978 0 50 EFAA NCc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 299753776 ZHQBDFFIUZEYLM-IBGZPJMESA-N 342.414 2.870 0 50 EFAA CC(C)Cc1nc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n[nH]1 534674512 FHLZCNVQAMMUOK-OKILXGFUSA-N 342.443 2.920 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)NC2(CN3CCCCC3)CC2)c1 534592854 YSQJCMNNJBMJMH-KRWDZBQOSA-N 344.503 2.981 0 50 EFAA C[C@H](NC(=O)NC1(CO)CCCC1)c1cnn(-c2ccc(F)cc2)c1 534633036 BVLUEWLYZSWTTO-ZDUSSCGKSA-N 346.406 2.677 0 50 EFAA CCCOc1cccc(CCNC(=O)N(C)Cc2ncc(C)[nH]2)c1 584902625 RZKRASNJRYXWHJ-UHFFFAOYSA-N 330.432 2.891 0 50 EFAA Cc1cc(C)n([C@H](C)CNC(=O)N2CCC3(CCOCC3)CC2)n1 584899459 OXPFJKJZBCBFEA-MRXNPFEDSA-N 334.464 2.663 0 50 EFAA CC(C)CCN1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2CCCN(C)C2)C1 43619970 VDTDXIUWOBLAMG-FHWLQOOXSA-N 335.536 2.687 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cnccn2)C1 1413655780 COOTTWUKVBAGDP-XJKSGUPXSA-N 329.375 2.789 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-c2cccc(OC)c2)o1 1565525265 HVYPDYFDKVPKMX-YJBOKZPZSA-N 345.395 2.879 0 50 EFAA CO[C@](C)(C(=O)NCc1ccc(OC(C)=O)cc1)c1ccccc1F 408517862 OGIHMDVFVJGXIZ-IBGZPJMESA-N 345.370 2.929 0 50 EFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1[C@@H]1CCO[C@H]1c1ccccc1 272130626 KNQGWXRWUCVNEW-KURKYZTESA-N 336.391 2.680 0 50 EFAA Cc1ccc(Br)c2c1N(C(=O)CCn1ccnn1)CCC2 272334130 YLSRJDOBPQJAJY-UHFFFAOYSA-N 349.232 2.719 0 50 EFAA CCN1CCCC[C@H]1CNC(=O)c1ccc(-c2cncnc2)cc1F 185994972 QVDZDFSISGEBCP-INIZCTEOSA-N 342.418 2.887 0 50 EFAA Cn1cc(CCNC(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c2ccc(Cl)cc21 189322596 FWOGWZIGWHDEIE-KMFMINBZSA-N 347.846 2.993 0 50 EFAA COc1ccccc1-c1nc(CN2CCCNC(=O)[C@H]2C)cs1 189309376 GLGNQZIQFOSAJA-GFCCVEGCSA-N 331.441 2.529 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 190350088 XBXQWVQCVSAXSL-PBHICJAKSA-N 335.419 2.537 0 50 EFAA CO[C@@](C)(C(=O)N1CCC(CCC(=O)O)CC1)c1ccccc1F 668280909 HKQONAYSPRSMCG-GOSISDBHSA-N 337.391 2.791 0 50 EFAA CN(C)c1cnc(C(=O)N2CCCCC[C@H]2c2ccncc2)cn1 678346985 GZKUHBWVDXRZRX-INIZCTEOSA-N 325.416 2.695 0 50 EFAA CCn1cnc2c(N[C@H](Cc3ccccc3)c3nccn3C)ncnc21 651432928 AKTYNUKHVRDRFM-OAHLLOKOSA-N 347.426 2.976 0 50 EFAA CCc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)s1 1529161229 CYGWFWMZPUXMLI-NVXWUHKLSA-N 331.437 2.885 0 50 EFAA CCCn1cnnc1[C@@H](C)Nc1nnc(CSc2ccncc2)o1 1772703355 KRESXIDCIZVGTG-LLVKDONJSA-N 345.432 2.932 0 50 EFAA O=C(CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1)NC1CC1 12304901 GJWHOZBVTLQKQC-AWEZNQCLSA-N 326.444 2.834 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CCn2cncn2)C1 12386685 DRXSAWGNELXMKH-QGZVFWFLSA-N 326.444 2.848 0 50 EFAA COc1ccc(CN[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 14966556 OYYGODPEOPUCHV-SFHVURJKSA-N 342.414 2.768 0 50 EFAA O=C(c1cn2ccsc2n1)N1CCc2[nH]nc(C3CCCC3)c2C1 19792382 QXGRUOMAQQFTLX-UHFFFAOYSA-N 341.440 2.975 0 50 EFAA Cc1ccccc1[C@H]1CN(Cc2noc(C(C)C)n2)C[C@@H]1C(=O)O 216416695 UECFIKIRPHMGEX-CABCVRRESA-N 329.400 2.802 0 50 EFAA Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 421873548 NNYIDYONLNXBQP-CQSZACIVSA-N 333.363 2.854 0 50 EFAA O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@@H](CN2CCCC2)C1 246128099 AYUIHCDFXVJXTB-KXBFYZLASA-N 345.462 2.563 0 50 EFAA CCc1ccccc1Cc1noc(C[C@H]2CCCS(=O)(=O)C2)n1 349697911 ZEAKVASDKVHTQQ-CYBMUJFWSA-N 334.441 2.590 0 50 EFAA COc1ccccc1NC(=O)CN1CCN(C[C@H](C)CC(C)C)CC1 252508437 XNITWOOFVSSPQA-QGZVFWFLSA-N 347.503 2.934 0 50 EFAA COc1cc(C)c(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(C)c1C 1704340119 ODGZJWJZUIKHPN-NHCUHLMSSA-N 346.515 2.899 0 50 EFAA Cc1ccc(C(=O)NC2CCN(Cc3ccoc3C(=O)O)CC2)s1 859784500 ISRFKLHDMJJLDN-UHFFFAOYSA-N 348.424 2.742 0 50 EFAA COc1ccc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c(F)c1 952890908 NBEZRIQJKZYAMN-NEPJUHHUSA-N 333.363 2.667 0 50 EFAA CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(C(=O)O)cc2)C1 1875259337 RNMXBJMPIPGTCE-OAHLLOKOSA-N 333.432 2.651 0 50 EFAA CC(C)(O)CN1CCc2c(cccc2NCc2cccnc2O)C1 1875284660 DZWVRLGHAVSYIT-UHFFFAOYSA-N 327.428 2.528 0 50 EFAA O=C1CC(CNC(=O)[C@@H]2OCCc3ccccc32)(c2ccccc2)C1 1875271107 KJWHJVKKKGTUJB-LJQANCHMSA-N 335.403 2.718 0 50 EFAA O=C(NCC1(CO)CC(c2ccccc2)C1)c1cc2cccn2cn1 1875271676 LIOQRPSDNRTEAO-UHFFFAOYSA-N 335.407 2.620 0 50 EFAA CC[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1cccc2cc[nH]c12 1875318315 FMBNXYODTIGPNJ-DOMZBBRYSA-N 332.425 2.684 0 50 EFAA C[C@@H](NS(=O)(=O)N1C[C@@H]2CC[C@H](C1)O2)c1ccc2ccccc2c1 1875307372 CAYICLCLRWIXLU-XWIAVFTESA-N 346.452 2.598 0 50 EFAA Cc1cc(Cl)ccc1C1(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 888095372 XTIYBZXCFVCYTB-HZPDHXFCSA-N 349.858 2.726 0 50 EFAA CC(C)(COC(=O)Cc1ncccc1F)NC(=O)OC(C)(C)C 888099165 BCXKXKASVBAJBU-UHFFFAOYSA-N 326.368 2.610 0 50 EFAA Cc1cnc([C@H](C)NC(=O)NCc2c(C)nc3ccccn23)s1 893470758 LWLYGCHCZGEXEH-LBPRGKRZSA-N 329.429 2.968 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCO[C@@]3(CCCOC3)C2)n1 893814720 WPMJWCKESGSXMS-IBGZPJMESA-N 340.427 2.914 0 50 EFAA CC(C)[C@H](C(=O)N1Cc2ccc(Br)cc2C1)c1nc[nH]n1 1775998387 BGUXDUNPTAECGC-ZDUSSCGKSA-N 349.232 2.849 0 50 EFAA c1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)cc1 22310034 SRYRBOHMCIQLRE-UHFFFAOYSA-N 340.467 2.900 0 50 EFAA O=C(c1cc(Cl)cc(Cl)c1O)N1CC(F)(F)C[C@@H]1CO 935536622 XQTVBGMDVTVAKX-SSDOTTSWSA-N 326.126 2.541 0 50 EFAA CCOC(=O)[C@@]1(CC)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O 34337 MAXUMEIVVUHYLR-APPDUMDISA-N 348.424 2.930 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 202679 GOPDTJMAMUZZSL-KSSFIOAISA-N 333.384 2.525 0 50 EFAA biogenic CCCOc1cc(S(=O)(=O)n2cccn2)ccc1Br 11614099 ZHYAQELJIWLCQS-UHFFFAOYSA-N 345.218 2.671 0 50 EFAA CCn1cc(CN2CCC3(CC2)C[C@@H](C(=O)O)CO3)c(C(C)(C)C)n1 2325787787 WUCFHQGYDGRGFL-CQSZACIVSA-N 349.475 2.656 0 50 EFAA Cc1ccccc1Oc1ccc(NC(=O)[C@@]2(C(=O)O)CCNC2)cc1 2325791019 JTSNTUJKATWYHB-LJQANCHMSA-N 340.379 2.790 0 50 EFAA CCCc1occc1C(=O)N[C@H]1CCN(C(=O)c2cccs2)C1 938314261 ORQWBZIWFCDJOA-LBPRGKRZSA-N 332.425 2.938 0 50 EFAA O=C(Cn1ncc(=O)c2ccccc21)N1CCCC2(CCCCC2)C1 111161295 ONXUYHBBVZFRLQ-UHFFFAOYSA-N 339.439 2.969 0 50 EFAA CSc1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C(C)=O 229636 NKERTIBVESTPFT-UHFFFAOYSA-N 342.468 2.820 0 50 EFAA CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 268949 HGBHGSFZKHEACC-UHFFFAOYSA-N 342.380 2.998 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 269983 PSQDMZUIZOACLE-GFCCVEGCSA-N 333.409 2.844 0 50 EFAA CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)F)=NN1C(=O)C1CC1 318118 JJMCMVFXTUUVOO-LLVKDONJSA-N 328.281 2.917 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 581990 CXNPTWLUNSEKLS-LLVKDONJSA-N 344.864 2.553 0 50 EFAA CCOP(=O)(OCC)[C@H](NC(=O)OC)C(=O)c1ccccc1 2682668 WDWBXHJCRBUCSS-ZDUSSCGKSA-N 329.289 2.818 0 50 EFAA COCCC[C@@]1(CO)CN(Cc2ccc(Cl)cc2C)CC[C@H]1O 2356165184 XLSDRWJABWNHLD-MSOLQXFVSA-N 341.879 2.620 0 50 EFAA O=C(CSc1ncc(-c2ccccc2)nn1)Nc1nccs1 4488033 LBHVREVIWHVTBK-UHFFFAOYSA-N 329.410 2.726 0 50 EFAA CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 10473549 OHPOSNNJFFHRSS-GFCCVEGCSA-N 348.424 2.764 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225584883 WJUOVOVAIHZOEC-GJZGRUSLSA-N 330.359 2.948 0 50 EFAA CN[C@H]1CCCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)C1 133973642 SBCHYHHINWIIDS-NPQIQWPPSA-N 338.883 2.725 0 50 EFAA Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2OCC(C)C)no1 55269582 AFRDTKCJCITCQY-UHFFFAOYSA-N 345.399 2.615 0 50 EFAA CCCN(CCC)Cc1ccc(C(=O)NCc2noc(C)n2)cc1 65395972 QWUOBSIXZSSETP-UHFFFAOYSA-N 330.432 2.930 0 50 EFAA O=C1NC[C@@H](CN2CCc3onc(-c4cccc5ccccc45)c3C2)O1 67771774 FCHYELOUEUXPFZ-AWEZNQCLSA-N 349.390 2.961 0 50 EFAA OCCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67852089 LHNIPWJEEGVCCK-UHFFFAOYSA-N 342.420 2.856 0 50 EFAA Cc1cccc(N2CCN(CC[C@H](C)NC(=O)[C@@H]3C[C@H]3C)CC2)c1 248089263 GFIKDDRHLPVQDY-ZIFCJYIRSA-N 329.488 2.668 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(O)c3)nc2)C1 67850863 QXHBZHBPTXQBSJ-CQSZACIVSA-N 326.396 2.953 0 50 EFAA O[C@@H](Cn1ccc(-c2cccc(-c3cncnc3)c2)n1)C(F)(F)F 20994061 HHEWPFFQVRIIJM-HNNXBMFYSA-N 334.301 2.930 0 50 EFAA CCc1cn[nH]c1C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 67818688 HZOGRKGRJQFQEH-QGZVFWFLSA-N 341.411 2.518 0 50 EFAA Cc1cn2cc(NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)ccc2n1 252474341 BGGJLWLWWIPPSY-WQVCFCJDSA-N 340.427 2.618 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1ccccc1[C@@H]1CCNC1 72146519 CGKWERWAYOQOCN-OAHLLOKOSA-N 326.444 2.549 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccn(-c2ccccc2)n1 253393896 GLTPIJNXLOKIFF-COXVUDFISA-N 339.395 2.730 0 50 EFAA CC(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229387744 KATCAXPTLVNUOX-SIXWZSSISA-N 335.492 2.854 0 50 EFAA C[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)n1cccn1 229562213 XBCVQAKRNKMGNV-REWJHTLYSA-N 346.397 2.660 0 50 EFAA Cc1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)sc1-c1ccccc1 72120778 KZYIIJJNLZZLKM-IBGZPJMESA-N 344.480 2.862 0 50 EFAA COCCCN1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71735596 XGNWXTOPZGZXIZ-GOSISDBHSA-N 336.451 2.921 0 50 EFAA COCCn1ccnc1CN1CCN(c2ccc(C)cc2)C[C@H]1C 215572899 BZTYQJMYVWLYNB-QGZVFWFLSA-N 328.460 2.549 0 50 EFAA CC(C)n1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cn1 72463033 DFHGFZDPCOVGGF-UHFFFAOYSA-N 330.407 2.561 0 50 EFAA COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1 72435877 ZBDHSIOYLJIVBM-UHFFFAOYSA-N 327.428 2.975 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)[C@H]2OCCc3ccccc32)C(=O)O)c1 263196763 YELSKVRCARQRFM-ROUUACIJSA-N 339.391 2.859 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)C1 263141689 ZQLHEAVTCQSGSX-ZCFIWIBFSA-N 336.241 2.505 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(OCCc3ccccc3)CC2)C1 263197336 JJMVVCFGPLBGMG-DLBZAZTESA-N 345.439 2.738 0 50 EFAA 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Cc1ccc(-c2cc(C(=O)NCc3cncn3CC(C)C)[nH]n2)o1 91505067 MWYSLWXBMCVVEM-UHFFFAOYSA-N 327.388 2.761 0 50 EFAA CCNc1ncc(C(=O)NCC2(N3CCCCC3)CCCCC2)cn1 91657128 XYQFHFKOTZHSAL-UHFFFAOYSA-N 345.491 2.827 0 50 EFAA CNc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)ccn1 97334164 NPHRRMVVPWLZJU-KRWDZBQOSA-N 338.455 2.651 0 50 EFAA C[C@H](NC(=O)c1cnc(-c2ccncc2)nc1)c1nc2ccccc2[nH]1 97797655 LOMGTSHBRFAGFN-LBPRGKRZSA-N 344.378 2.906 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95512957 BSDUKKIIVHDWMY-OAHLLOKOSA-N 335.411 2.674 0 50 EFAA CCCc1nc(C)cc(N2CCC(NCc3ccccn3)CC2)n1 95525023 LZGZCEWKBLFWGU-UHFFFAOYSA-N 325.460 2.891 0 50 EFAA O=C(CCc1ccc(O)c(Cl)c1)Nc1ccc2c(c1)C(=O)NC2 162798020 LPTRSQMDISSNQE-UHFFFAOYSA-N 330.771 2.860 0 50 EFAA CCN(CCNc1cc([C@H]2C[C@H](N)C2)ncn1)c1cccc(C)c1 244723804 MHQPGVPRLXKQBL-WKILWMFISA-N 325.460 2.928 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 299743262 MUDLXURDBYMRBP-GFCCVEGCSA-N 348.424 2.590 0 50 EFAA CC(C)(C)c1nsc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)n1 296340432 CFYOMGYTRZJEDT-VIFPVBQESA-N 335.437 2.713 0 50 EFAA Cc1ccccc1C(=O)NC1CCN(C(=O)C(C)(Cl)Cl)CC1 183016760 CFEMYLWWQBNYAF-UHFFFAOYSA-N 343.254 2.910 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@H]2CCO[C@H]21 1565528425 FBEJVHYYQCXKHJ-HUHSQHJXSA-N 328.412 2.564 0 50 EFAA N#Cc1c(N)nc2c(c1-c1ccc(-n3ccnc3)cc1)[C@@H]1CC[C@H](C2)N1 75927095 QNIQCNYAIWKZRM-CJNGLKHVSA-N 342.406 2.737 0 50 EFAA Cn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c2ccccc2c1=O 277230482 BIBKLLQUCHEILF-DOTOQJQBSA-N 338.407 2.512 0 50 EFAA CC(C)N(C)c1ccc(CNc2ccc(N3CCOCC3)cn2)cn1 191522341 ZAXLAZXNCWFFRB-UHFFFAOYSA-N 341.459 2.770 0 50 EFAA Cc1cnc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)o1 679355870 ZHEWGGWHNYUEQA-QWHCGFSZSA-N 347.440 2.917 0 50 EFAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1ccc(N2CCCCC2)cc1 1457882159 ZYEIDWDZGWYSLO-MRXNPFEDSA-N 327.472 2.986 0 50 EFAA CCc1c(C)noc1NC(=O)[C@H](CC)N1Cc2ccccc2C1=O 1506410018 CNBHACGYEGUPJG-HNNXBMFYSA-N 327.384 2.919 0 50 EFAA CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772814039 GEMUKROLWHVDDQ-OAHLLOKOSA-N 341.455 2.923 0 50 EFAA Cc1nn(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1Cl 16527233 QADCKBQAFCRMRX-UHFFFAOYSA-N 332.747 2.980 0 50 EFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cccc(OCCO)c1 1857683218 YGOGXIRUHLPFTG-ILZDJORESA-N 347.455 2.754 0 50 EFAA COc1cccc(-c2ncc(-c3nccn3[C@H]3COC[C@H]3O)s2)c1 1857694338 LXSQDZYXVXHSOS-UONOGXRCSA-N 343.408 2.614 0 50 EFAA Cn1nnc2cc(C(=O)N(Cc3ccc(F)cc3)C(C)(C)C)cnc21 123757565 RYOFACMHKILWMF-UHFFFAOYSA-N 341.390 2.943 0 50 EFAA CNCC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)CC1 237092073 QIUGBHNBOSQCLH-UHFFFAOYSA-N 346.862 2.906 0 50 EFAA CCCOc1ccc(CCC(=O)N[C@H]2CNCCC2(F)F)cc1 449667214 QVXXDSIXTSZDFL-HNNXBMFYSA-N 326.387 2.521 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(C/C=C/c1ccccc1OC)C2 248183483 GCBWOYRWUPHMFG-RJGJNRFASA-N 330.472 2.751 0 50 EFAA O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1SCCc2ccccc21 365607878 UUDAMOGYONHTHJ-HNNXBMFYSA-N 337.408 2.836 0 50 EFAA Cn1nc(C2CC2)cc1CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 901625047 SWLTXHNFMGSGGN-SFHVURJKSA-N 342.418 2.546 0 50 EFAA C[C@]1(CN2CCC(c3nc(-c4ccccn4)no3)CC2)CCCNC1 904316679 POJGELYEKKMRHF-IBGZPJMESA-N 341.459 2.701 0 50 EFAA COC(=O)c1sc2nc(C)ccc2c1NC(=O)COCC1CC1 863947036 MDALOCYKJIIUJC-UHFFFAOYSA-N 334.397 2.756 0 50 EFAA O=C(Nc1cnn2ccccc12)[C@@H]1CCCN(Cc2cccnc2)C1 863948466 UYGBJPCVRXWZHB-MRXNPFEDSA-N 335.411 2.580 0 50 EFAA Cc1cc(Cl)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cn1 1875265969 NOHQEFRNHNMBSO-WBVHZDCISA-N 343.814 2.793 0 50 EFAA CCc1nc2ccccc2n1[C@@H]1CCCN(c2ccc(C(N)=O)cn2)C1 1875295257 VJIZEZDYXSQOSF-OAHLLOKOSA-N 349.438 2.934 0 50 EFAA COc1ccc(-n2[nH]c(=NC(=O)[C@@H]3C[C@H]3c3ccncc3)cc2C)cc1 1875276171 YRKVJHDHBVLCMN-ZWKOTPCHSA-N 348.406 2.748 0 50 EFAA O=C1CC[C@@H](c2ccc(-c3cccc4c3OC[C@H](C(=O)O)C4)cc2)N1 1875281371 NOROIBPRATWINQ-WBVHZDCISA-N 337.375 2.940 0 50 EFAA CNC(=O)N[C@H](C)C(=O)NCc1cccc(Oc2ccccc2F)c1 1875342926 NGCLYSRQJRDCJY-GFCCVEGCSA-N 345.374 2.552 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Cc3ccccn3)cc2)cn1 1875385546 VUMFQGFLVHVLRF-CYFREDJKSA-N 334.423 2.669 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)N1CCOc2cc(F)ccc2C1)C1CC1 888099966 KPBNHKRDXGAFAM-INIZCTEOSA-N 344.390 2.615 0 50 EFAA Cc1csc(N(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1 1775999838 XTFJHRFFAOQUQK-UHFFFAOYSA-N 344.362 2.819 0 50 EFAA CNC(=O)c1ccc(O)c(NC(=O)CCOc2ccc(C)c(C)c2)c1 1775999298 IMBILTQXBKSUNG-UHFFFAOYSA-N 342.395 2.776 0 50 EFAA Cc1c(C(=O)N=[S@](C)(=O)c2ccc(N)cc2)cnn1CC(C)C 1776006587 XYJSURHOBIAFSX-HSZRJFAPSA-N 334.445 2.727 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)NCc1nc(-c2ccccc2)cs1 2100536821 ABCMSAVBLDQGOA-CQSZACIVSA-N 335.498 2.895 0 50 EFAA CC(C)c1noc([C@@H]2CCCN(Cc3ccn4ncnc4c3)C2)n1 2100557442 SONCAKCNSZCRRC-CQSZACIVSA-N 326.404 2.615 0 50 EFAA CN(C(=O)[C@@H]1CC=CCO1)c1nc2cc(Br)ccc2o1 2325767735 NSBMIHGZLPTEAJ-LBPRGKRZSA-N 337.173 2.898 0 50 EFAA O=C(NCc1nnc2ccc(Cl)cn12)c1cncc2c1CCCC2 2325773863 OSGWPBVJSWBAHR-UHFFFAOYSA-N 341.802 2.587 0 50 EFAA O=C(O)C[C@@H]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CCO1 2325778429 YZPMDWWNLWXRFD-RYUDHWBXSA-N 338.429 2.553 0 50 EFAA O=C(c1n[nH]c2c1COC2)N1CCC(Oc2ccc(Cl)cc2)CC1 2325820671 BRUAEAZDFLAZOR-UHFFFAOYSA-N 347.802 2.777 0 50 EFAA O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1 317910 BDFJEVSZDGLBGP-MRXNPFEDSA-N 328.799 2.804 0 50 EFAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 452534 NZHUSKJIENGELV-UHFFFAOYSA-N 331.372 2.911 0 50 EFAA Nn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 533187 UZWBULDSHPHXJG-UHFFFAOYSA-N 326.381 2.649 0 50 EFAA O=C(c1cccnn1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356146029 OLPQMGDRTRCPQE-UHFFFAOYSA-N 348.406 2.662 0 50 EFAA COc1cc(F)ccc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356161405 URBOYNDHSFJQTQ-SFHVURJKSA-N 329.375 2.678 0 50 EFAA Cc1cc(CC(=O)N[C@H]2CCC[C@@H](CN3CCC(C)CC3)C2)on1 2356167632 WGLBDJKHCLSLOM-SJORKVTESA-N 333.476 2.932 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc(F)c(O)c2)C1=O 2356168518 HHIOUGMTPUKITI-SFHVURJKSA-N 334.391 2.539 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c1 4385388 LCZXUQMWBHAHOF-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)C[C@H]1C 4488718 SOUPFDNQACDAQX-YGRLFVJLSA-N 347.411 2.977 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(OC)c2)cc1 6729819 RLKPIMUAVPFBGW-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 6744997 WKXNCCNWUZAXII-HNNXBMFYSA-N 338.473 2.775 0 50 EFAA C[C@H]1Cc2cc(CNC(=O)c3ccc4c(c3)OCCO4)ccc2O1 9029042 QNIDVFFCRCCWFJ-LBPRGKRZSA-N 325.364 2.711 0 50 EFAA C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1cccc(N(C)C)c1 246319461 KKAJXGFZLBFPPY-PBHICJAKSA-N 339.443 2.707 0 50 EFAA CCCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 20595184 WTCYELVCJBRUKU-UHFFFAOYSA-N 329.366 2.672 0 50 EFAA COc1ccc([C@H](C)NS(=O)(=O)N2CCc3ccccc3C2)cc1 346976899 RSYNDWYKRSXSMO-AWEZNQCLSA-N 346.452 2.649 0 50 EFAA C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)NCc1ccncn1 422205636 JLRCTNWODQPHTL-SFHVURJKSA-N 328.391 2.923 0 50 EFAA CC(C)Nc1ncccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 118878678 QYCQLCVMUFVYCW-CQSZACIVSA-N 329.404 2.530 0 50 EFAA CCN1C[C@H](C)N(C(=O)c2cnc3onc(C(C)C)c3c2)C[C@H]1C 252476868 CUEZNBGMYRADDG-OLZOCXBDSA-N 330.432 2.901 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ccn[nH]2)CC1 125775982 IZHWZRULXKKGQK-IBGZPJMESA-N 338.455 2.780 0 50 EFAA C1=CC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCNCC4)C[C@H]2C1 72431479 QMXMEZLBVOJVIC-CALCHBBNSA-N 347.466 2.629 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1 72407395 DQHGEWYTKVCSSP-SFHVURJKSA-N 330.472 2.700 0 50 EFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)c1ccc(Cl)o1 328649337 UZLDRSHLXYFPGV-LLVKDONJSA-N 339.848 2.950 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2c2ccnc(C3CC3)n2)n1C 328620945 HLMKMDNZXIDYNE-OAHLLOKOSA-N 339.443 2.784 0 50 EFAA COc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)nc1 360395826 PZQRXLRRROBXAI-GFCCVEGCSA-N 338.367 2.674 0 50 EFAA O=C(CCn1ccnn1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 338339052 VAAXUXFESOPOPI-UHFFFAOYSA-N 332.367 2.850 0 50 EFAA COCc1ccc(C(=O)N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)o1 216391847 RQIYPXOWNYAERS-LUIVIUGWSA-N 333.428 2.876 0 50 EFAA C[C@H]1C[C@H](CCNC(=O)c2ncccc2Br)CCO1 281481561 GAOLSHLJAYGJKD-WDEREUQCSA-N 327.222 2.779 0 50 EFAA C[C@@H](CNC(=O)c1c(Cl)c2ccccc2n1C)N1CCCCC1=O 332013699 XUWLABKRFGGLSX-LBPRGKRZSA-N 347.846 2.963 0 50 EFAA C[C@H]1Cc2cc(CN3CCCN(C(=O)C4CCC4)CC3)ccc2O1 71315185 QWXBJKXPLBWIKD-HNNXBMFYSA-N 328.456 2.844 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(OCC(F)(F)F)cc1 262624530 NKQLRCUWRAKSFV-KPXOXKRLSA-N 331.290 2.526 0 50 EFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCC12CCC(CO)CC2 371473574 QGXMBSMRRIQDLJ-VDUSKEEQSA-N 329.440 2.958 0 50 EFAA CN1CCc2nc(-c3cccnc3)nc(N(C)Cc3ccoc3)c2CC1 72468905 ZMUAFZJVHWQYTD-UHFFFAOYSA-N 349.438 2.798 0 50 EFAA CC[C@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 236921243 KAIOJYSKHPTJML-ZHZWZMEUSA-N 344.411 2.538 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)Cc2cccc(C(=O)O)c2)o1 262213347 QCLIMUCQXHPPLI-INIZCTEOSA-N 343.379 2.683 0 50 EFAA CSCC[C@H](N)C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 157969036 NCLWJKSHRBJYSK-JSGCOSHPSA-N 342.892 2.790 0 50 EFAA Nc1nccc(C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)n1 215272347 NGCNSCQTYGJPID-UHFFFAOYSA-N 348.809 2.800 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cn1 237979629 QVJBABAAIOJFKI-HNNXBMFYSA-N 328.343 2.766 0 50 EFAA O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(c2ccccn2)CC1 378260177 LTHVSYDTYKPLGJ-UHFFFAOYSA-N 338.333 2.703 0 50 EFAA CO[C@@H]1COCC[C@H]1CNC(=O)N1CCC=C(c2ccccc2)C1 455322493 RVQQIPAOWGLDKM-FUHWJXTLSA-N 330.428 2.537 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc3ccccn3c2)c1 282613431 VJSIPYNETLYAPS-MJGOQNOKSA-N 336.391 2.896 0 50 EFAA O=C1COc2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)ccc2N1 80423107 BNIJBKVFMXSAJN-UHFFFAOYSA-N 348.362 2.515 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1 82097845 AXIUSRQWAPIJJB-ZDUSSCGKSA-N 332.473 2.705 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(C)n1C 222764374 HHZSFXBTJMRUDA-RTBURBONSA-N 342.439 2.746 0 50 EFAA O=C(CCc1ccsc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 222741095 WHPHRZGJJSROFR-IAGOWNOFSA-N 346.452 2.566 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ncccc2OC)c1 426513490 BRLYPNCLZGPMSZ-KRWDZBQOSA-N 339.439 2.971 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)c1cc(=O)n(C)c2ccccc12 426541494 PQUXSGUJCAGXFO-UHFFFAOYSA-N 337.379 2.676 0 50 EFAA Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c(OCC2CC2)c1 291095955 SUVHRHDILHQQHS-BZSNNMDCSA-N 344.455 2.839 0 50 EFAA CN(Cc1cccnc1Cl)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 91645408 GFWIEIGIMXGZBH-CQSZACIVSA-N 349.862 2.875 0 50 EFAA COCCC[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 91494052 SPZYWZARGBVVCL-AWEZNQCLSA-N 328.416 2.751 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N(C)Cc2nccn2CC)c(C)c1 96147927 IYBXPGYSCVGYPC-UHFFFAOYSA-N 343.431 2.625 0 50 EFAA COCCC[C@@]1(CO)CCCN(CCOc2ccc(F)cc2)C1 91364781 OPCJVZKBNPFUGA-SFHVURJKSA-N 325.424 2.706 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCCSC(C)C)c(=O)[nH]2)cc1 96141469 MUMKARWEICSLDQ-UHFFFAOYSA-N 346.452 2.922 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)COc1ccc(F)cc1F 91965455 AHNRVLKCYDQANB-OAHLLOKOSA-N 337.370 2.771 0 50 EFAA C[C@@H]1CN(CCOCc2ccccc2)CC[C@@]1(O)C1CCOCC1 91536962 XKQPHNXGPADPPR-XLIONFOSSA-N 333.472 2.703 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cs1 91713134 XTTRIWCZADECFL-DZGCQCFKSA-N 332.469 2.784 0 50 EFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C[C@@H]1CCOC1)CC2 97578877 PNBVVVDBFYLCID-KRWDZBQOSA-N 344.503 2.562 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1 97743173 UUDZESHZVNMVHP-LLVKDONJSA-N 332.367 2.839 0 50 EFAA Cc1c(S(=O)(=O)N2CCc3cc(C(C)(C)C)ccc32)cnn1C 293406382 MVFOPVQTZBVQMI-UHFFFAOYSA-N 333.457 2.777 0 50 EFAA COc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 243893131 AODGWLNFMXYTQL-FHWLQOOXSA-N 339.435 2.736 0 50 EFAA O=C(CCc1ccc(F)cc1F)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244719179 LYJJDSGEFMDHHM-RFUYNDQBSA-N 346.377 2.921 0 50 EFAA COC(=O)C[C@@H](c1cccnc1)c1oc2ccccc2c(=O)c1O 253396317 AZIHZPZVAASPFX-ZDUSSCGKSA-N 325.320 2.589 0 50 EFAA biogenic CNC(=O)[C@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CCO1 182432350 OPZVHFJTZNROMP-OAHLLOKOSA-N 334.416 2.501 0 50 EFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)CN1CCCCCCC1 252486408 HLAAHQVJXGWRNT-UHFFFAOYSA-N 342.443 2.961 0 50 EFAA Cc1ccc(CNC(=O)CC(C)(C)CC(=O)O)c(O[C@H]2CCOC2)c1 299750342 NDTOFHVSXVGREM-HNNXBMFYSA-N 349.427 2.670 0 50 EFAA C[C@@H](NC(=O)NC1(CO)CCCC1)c1cnn(-c2ccc(F)cc2)c1 534633035 BVLUEWLYZSWTTO-CYBMUJFWSA-N 346.406 2.677 0 50 EFAA Cc1nc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 299772941 BEGKHCRGCXHWMR-KRWDZBQOSA-N 328.393 2.702 0 50 EFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(SC)cc1 823086423 YODSMGSKPGIXMC-CYBMUJFWSA-N 329.487 2.988 0 50 EFAA COCc1nc(CCc2c(C)noc2C)n(-c2cccc(C)n2)n1 824485241 VCLBEQDXBPMDEU-UHFFFAOYSA-N 327.388 2.507 0 50 EFAA COc1c(F)ccc(C(=O)NCc2ccc3nsnc3c2)c1F 670450290 HNJWUTXTBYGZRS-UHFFFAOYSA-N 335.335 2.908 0 50 EFAA CC1=C(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)OCCO1 952989683 SUIMGJFXSMOIJP-UHFFFAOYSA-N 335.791 2.543 0 50 EFAA O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccnc(O)c2)CC1 268354506 MHDZCFBJYDRSRV-UHFFFAOYSA-N 346.333 2.801 0 50 EFAA CCc1ccccc1S(=O)(=O)N1CC[C@@H](C2CCN(C)CC2)C1 275359066 IMBSZHBPOGTRFN-QGZVFWFLSA-N 336.501 2.601 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1noc(-c2ccccc2C)n1 277344169 SUIVCXZJVFFKFD-HUUCEWRRSA-N 329.400 2.866 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NCCc1nc2ccccc2n1CC 277460132 HAERMYWBHHDEFM-RHSMWYFYSA-N 329.444 2.920 0 50 EFAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cncc(O)c1 279388318 INDOPCRSEOFFHT-KRWDZBQOSA-N 332.375 2.758 0 50 EFAA CC(C)c1noc(CCCNC(=O)N2CCSCC[C@@H]2C)n1 188126236 JDKXETKWIHEAJW-LBPRGKRZSA-N 326.466 2.663 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)NCCNc1cccc(Br)c1 190074493 HMRBVNXTXNLXGR-FZMZJTMJSA-N 341.249 2.792 0 50 EFAA CC(=O)NCC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 191681946 AKYZBINOFUYVNE-UHFFFAOYSA-N 348.752 2.643 0 50 EFAA Cc1cccc(SC2CCN(CC(=O)Nc3ccn(C)n3)CC2)c1 1506398194 IORDMLARNJHSRW-UHFFFAOYSA-N 344.484 2.924 0 50 EFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3sccc3Cl)C1)CC2 1704337299 URTRQGAVKJAQOH-MRXNPFEDSA-N 348.859 2.894 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1c1ncc(Cl)cc1Br 225600846 GPJIPNUVJBWVLR-JTQLQIEISA-N 342.628 2.968 0 50 EFAA Cc1cc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)nc2cc3c(cc12)CCC3 1772805285 KOZPDUJZQHTORC-AEFFLSMTSA-N 335.451 2.946 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@H]2CC(=O)N(CCC)C2)o1 1772701889 CCCVWRHHZLFOKG-ZDUSSCGKSA-N 344.415 2.948 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCCN(Cc2cc[nH]n2)CC1 1772810982 QJKYMHQEMIOBIX-UHFFFAOYSA-N 346.862 2.730 0 50 EFAA COCCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 11767544 GMSIASVVOJYAJU-NRFANRHFSA-N 344.499 2.970 0 50 EFAA O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1cccnc1 12149315 SKNRSPMSCLXHOA-KRWDZBQOSA-N 327.403 2.892 0 50 EFAA Cn1cc(CN[C@@H]2CCCN(c3ncccn3)C2)c(-c2ccccc2)n1 14971435 NTAVLVNEAIXEAQ-GOSISDBHSA-N 348.454 2.636 0 50 EFAA COc1cccc2c1OC[C@H](NCc1cnn(-c3ccccc3)c1)C2 19225847 IRAKVNUBHAJDDW-QGZVFWFLSA-N 335.407 2.974 0 50 EFAA COCCn1cc(NC(=O)c2cc(C)cc(Br)c2)cn1 124347198 HYACFQZPJJHMBL-UHFFFAOYSA-N 338.205 2.853 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1cccc(F)c1C(F)(F)F)C2 1857669382 FJHUNGDTKMQSOQ-SWLSCSKDSA-N 333.325 2.675 0 50 EFAA O=C(CNC(=O)c1ccccc1)OCc1ccc(Br)cc1 332341 HGKLCRDRCQDYMP-UHFFFAOYSA-N 348.196 2.922 0 50 EFAA Cc1ccccc1-c1cnc(NC(=O)N[C@@H](C)c2nnnn2C)s1 225402474 FTKSKSNQSKLGDG-JTQLQIEISA-N 343.416 2.525 0 50 EFAA O=C1CCc2c1ccc(OCC(=O)N1CCO[C@@H]3CCCC[C@H]31)c2F 329281450 NGMGTYWISADFPA-GDBMZVCRSA-N 347.386 2.503 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 330171543 FNXYEFSEUYLYQU-HIFRSBDPSA-N 330.428 2.765 0 50 EFAA O=C(c1csc(Br)c1)N1CCC[C@@H](n2ccnn2)C1 333570176 MIWAFSDXSRAYEB-SNVBAGLBSA-N 341.234 2.579 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1 237997851 WTLVEYZLGBXJJI-QGZVFWFLSA-N 341.411 2.791 0 50 EFAA CCc1nc(CN2CCN(C(=O)c3ccc(Cl)c(C)c3)CC2)no1 129158115 YOIKHZLOWJTTDS-UHFFFAOYSA-N 348.834 2.552 0 50 EFAA COc1c(C)cc(S(=O)(=O)Nc2cnc3c(c2)COCC3)cc1C 253423764 ARERMOSXCKXEHT-UHFFFAOYSA-N 348.424 2.581 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCCc3ccc(Cl)cc32)cn1 364002819 TUZMYKKSQZTNRU-UHFFFAOYSA-N 325.821 2.605 0 50 EFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc(C)no2)C1 377401412 OKIGJJNEPQMZMG-LBPRGKRZSA-N 335.791 2.654 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)N2CCC(OCCO)CC2)c(C)c1 494464267 JDDJRSKGSCMAJH-UHFFFAOYSA-N 348.487 2.764 0 50 EFAA Cc1ccc(C)c(N2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)c1 164724039 QQJCWTJAOCEXEV-MRXNPFEDSA-N 342.443 2.749 0 50 EFAA O=C(C[C@]12CCCC[C@H]1C2(F)F)N[C@@H](C(=O)O)c1cccc(O)c1 911439788 PDVNQQVUWANTMC-XNRPHZJLSA-N 339.338 2.850 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1cc(Cl)cc(Cl)c1F 830386023 HVPZMIIZABGRJF-CPCISQLKSA-N 348.205 2.853 0 50 EFAA CCn1cnc2c1CCN(C(=O)Nc1cnc(-c3ccccc3)nc1)C2 929836530 IASSYYRRIMLMJF-UHFFFAOYSA-N 348.410 2.950 0 50 EFAA COC[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2)cn1 930786134 BLNKOCYAUPCJBC-AWEZNQCLSA-N 343.383 2.753 0 50 EFAA Cc1cc([C@H]2CCCN(C(=O)COc3ccc(F)c(F)c3)C2)n[nH]1 935849780 ARSIOQASGSQPLX-LBPRGKRZSA-N 335.354 2.781 0 50 EFAA COc1ccccc1O[C@H]1CCCN(C(=O)CCc2cc(C)on2)C1 935957937 OLQFCHORUUDQFB-INIZCTEOSA-N 344.411 2.994 0 50 EFAA O=C(NCCC1(O)CCOCC1)c1ccnc2cc(Cl)ccc12 935923732 WCIBDLRLQLAIEO-UHFFFAOYSA-N 334.803 2.550 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)o1 952848030 FQIGCJJATAQEIJ-KGLIPLIRSA-N 341.415 2.553 0 50 EFAA C[C@H](O)CN(C)C(=O)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 1875272855 NVQQLUJNOHNJPK-QMMMGPOBSA-N 344.289 2.656 0 50 EFAA Cc1oc(C(N)=O)cc1-c1csc(=NCc2ccc(F)cc2)[nH]1 1875258387 NKQMMQNZGQGKHR-UHFFFAOYSA-N 331.372 2.984 0 50 EFAA CN1CC[C@@H](NC(=O)c2cnc3c(c2)C(=O)CCC3)c2ccccc21 1875271630 HQUYUKGSYDIFDP-QGZVFWFLSA-N 335.407 2.912 0 50 EFAA Cc1ccoc1C(=O)N1C[C@H]2CCN(c3ccnc(C(C)C)n3)[C@H]2C1 1875313019 VTWOOGQPPRBFQU-CABCVRRESA-N 340.427 2.852 0 50 EFAA COC[C@@H]1C[C@H]1C(=O)O[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 1875305172 JUSICUJKZHYYSD-UHTWSYAYSA-N 346.301 2.745 0 50 EFAA O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc2ncsc2c1 1875317260 STSXVHXGPBHOSA-UHFFFAOYSA-N 338.436 2.958 0 50 EFAA CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCSC[C@@H]23 1776003722 FRKPEXUXTOFOBR-JLJPHGGASA-N 334.441 2.631 0 50 EFAA O=C(O)CCNCC1(c2ccc(Br)cc2)CCOCC1 1776004842 ZMSJLXTXEXZHOJ-UHFFFAOYSA-N 342.233 2.562 0 50 EFAA O=C(c1noc2c1CCCC2)N1CCN(Cc2ccc(F)cc2)CC1 20614129 IVJSEJXZCXUMPW-UHFFFAOYSA-N 343.402 2.651 0 50 EFAA O=C(NC1CC1)C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 2325804526 WWJBWRFDKCVDKK-UHFFFAOYSA-N 347.365 2.577 0 50 EFAA CC[C@@]1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1 119077 OWTOJWOUGVGXMP-IBGZPJMESA-N 336.395 2.604 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 299201 PFBIWVZHHKAYJE-UHFFFAOYSA-N 348.424 2.953 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1 311283 CIHYHBDUGLFEGB-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 443833 SVQFBXYXUUTZCS-NSHDSACASA-N 339.233 2.574 0 50 EFAA COC(=O)c1c(NC(=O)c2c(Cl)cnn2C)sc(C)c1C 2746893 WNFBMUKVHHZBKG-UHFFFAOYSA-N 327.793 2.791 0 50 EFAA CCOc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 4836928 LQJSLCGBPXERQR-SFHVURJKSA-N 340.404 2.970 0 50 EFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 6747609 ZSAIJRXUVUWOND-HNNXBMFYSA-N 338.473 2.694 0 50 EFAA Cc1cnc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)s1 225510754 ODUSNCKGMYUVGG-NSHDSACASA-N 344.440 2.652 0 50 EFAA FC(F)(F)Cn1nc(CCc2ccccc2)nc1[C@@H]1[C@H]2CNC[C@H]21 102138084 GJJMQHXCHOSKNY-NHAGDIPZSA-N 336.361 2.558 0 50 EFAA CCCS(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 245741878 VVSBFYHHTDPWLM-WFASDCNBSA-N 348.871 2.801 0 50 EFAA Cc1nsc(NC(=O)NCc2cccc(CN3CCCC3)c2)n1 55344228 JIDDCHRTUOKVBE-UHFFFAOYSA-N 331.445 2.764 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@H]1CCN(C2CC2)C1 246172318 SEFRVUUOEKGICY-JKSUJKDBSA-N 342.487 2.521 0 50 EFAA COc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1 54277323 FHFZLYMWFUFTCQ-UHFFFAOYSA-N 345.487 2.656 0 50 EFAA c1cnn(-c2ccc(N3CCC(NC[C@@H]4CCCCO4)CC3)cc2)c1 23431374 UGAYYKMQHSCVPD-FQEVSTJZSA-N 340.471 3.000 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 101356492 NMWFIAYQODQVRM-GVAFMPQTSA-N 348.196 2.672 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c(C)s1 119216339 MILZFULAHNVYLH-CQSZACIVSA-N 347.488 2.881 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)no1 328588305 NRMMSMRGULIAKC-ZDUSSCGKSA-N 341.371 3.136 0 50 EFAA Cc1cc(N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)ncn1 328654448 XLJNOYTZGBATBG-HNNXBMFYSA-N 326.448 2.717 0 50 EFAA O=C(Nc1ccc2c3c(cccc13)CC2)c1cn(C2CCNCC2)nn1 150803930 VORMQWGKPJWMKV-UHFFFAOYSA-N 347.422 2.707 0 50 EFAA C[C@H](Cc1cnccn1)Nc1cc(-c2ccncc2)nc2ccnn12 72421412 XRLBJUOACOHSFT-CYBMUJFWSA-N 331.383 2.624 0 50 EFAA COc1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1OC 154423826 NVGRTYVJHWMFTH-AWEZNQCLSA-N 329.400 2.587 0 50 EFAA C[C@@H]1CC(CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H](C)O1 281296134 SYTKENPVYBMOFO-SNUQEOBHSA-N 334.435 2.939 0 50 EFAA Fc1ccc(OCCN(Cc2cncnc2)[C@H]2CCCNCC2)cc1 435721698 JLFFZNLRNXZNOW-SFHVURJKSA-N 344.434 2.639 0 50 EFAA CC(C)(C)c1cc(-c2nccn2Cc2nc3ccccc3c(=O)[nH]2)n[nH]1 71767799 GMXQCQVSKGSUHN-UHFFFAOYSA-N 348.410 2.856 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(Cl)cn2)n1 71762159 CQAPVBLUECVNMA-UHFFFAOYSA-N 344.724 2.825 0 50 EFAA O=C(O)c1ccccc1OCCN1CCC[C@@H](N2CCCCC2)C1 373241571 XMJQEMAVIWFLEB-MRXNPFEDSA-N 332.444 2.714 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 72407239 PFVWGJYOVIIXQE-ZDUSSCGKSA-N 335.411 2.935 0 50 EFAA O=C(c1cc(C2CCCCC2)[nH]n1)N1CCNC[C@@H]1c1ccncc1 333327627 VOUKLVXDHHMLOA-GOSISDBHSA-N 339.443 2.639 0 50 EFAA c1coc(CNc2nc3nonc3nc2NCc2cccs2)c1 14975361 YSLDEROLWIHHJX-UHFFFAOYSA-N 328.357 2.892 0 50 EFAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)N1CCOc2cc(O)ccc2C1 333738813 MAXXMNSEHHZESE-OFQRWUPVSA-N 328.412 2.899 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@H]([C@@H](C)N)C3)c(C)o2)cc1 237461836 UNFKCJPKPUQAPB-DOMZBBRYSA-N 343.427 2.858 0 50 EFAA O=S(=O)(C[C@H]1CCC2(CCC2)O1)NCCc1cc(F)cc(F)c1 1365640039 AGLHOGGOSFIBEJ-OAHLLOKOSA-N 345.411 2.528 0 50 EFAA O=C(N[C@@H](CO)C1CCSCC1)c1cc(-c2ccccc2)on1 77489395 VSXFIQHSNAYWJA-HNNXBMFYSA-N 332.425 2.576 0 50 EFAA CC(C)N1CCC(C(=O)N2CCCN(Cc3cccs3)CC2)CC1 81256465 NWXDDDGXRUDCQD-UHFFFAOYSA-N 349.544 2.903 0 50 EFAA CCc1cccc(OCCN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 285035669 ZUWUTHRXZXOWTB-VAMGGRTRSA-N 333.472 2.880 0 50 EFAA O=C1CCc2cc(C(=O)N3CCO[C@H](c4ccco4)C3)c(F)cc2N1 132133461 XZQQEOUCBVMOJX-INIZCTEOSA-N 344.342 2.517 0 50 EFAA CCCn1ncc(NC(=O)Cn2cc(C)c(-c3ccc(F)cc3)n2)n1 48209685 CIDPALKJYBSIPV-UHFFFAOYSA-N 342.378 2.638 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 17070617 ZOZLGGUSQQPSPN-YUTCNCBUSA-N 335.400 2.772 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCC(OCc2ccccn2)CC1 222449506 JCBBIGADMLXTFE-UHFFFAOYSA-N 340.379 2.632 0 50 EFAA CN1CCc2[nH]nc(C(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)c2C1 426508120 QRTUVQPBLBFJRH-INIZCTEOSA-N 338.455 2.663 0 50 EFAA COc1cccc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)c1 426683796 KISWJUGOXOCGDF-FQEVSTJZSA-N 338.455 2.978 0 50 EFAA CC(C)c1nccc(C(=O)NCc2ccc3c(c2)OCCCO3)n1 426490411 XGAUAPBNOGGFNW-UHFFFAOYSA-N 327.384 2.691 0 50 EFAA Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@H](C)C4)ncn3)C2)c1 290672996 IERMZXFJUXRAMJ-HOCLYGCPSA-N 326.448 2.669 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)n1 223082108 QGBSUSUQVLGOBU-CFVMTHIKSA-N 345.468 2.774 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccncc1)CC2 426510265 NOXOIYIFUUDHQX-ZIFCJYIRSA-N 330.428 2.660 0 50 EFAA COC(=O)c1cc(-c2cn(C)nc2C)nc2c1c(C)nn2C(C)C 20614338 JYCGUZUPGHSJLZ-UHFFFAOYSA-N 327.388 2.816 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2ncccc2Cl)C1 95507100 ZQHMWPZZTGLGTO-CQSZACIVSA-N 333.867 2.877 0 50 EFAA Cc1nn(C)c2nc(N3CCC[C@H](C(=O)c4ccccn4)C3)sc12 95519590 FLGWRUIAPONHPS-LBPRGKRZSA-N 341.440 2.833 0 50 EFAA CCC[C@]1(CO)CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 92028734 NHXCEFHTQPTSDD-IBGZPJMESA-N 328.412 2.543 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc3c(c1)CCO3)C2 95523896 XEYJUJJBHAJPSK-CYBMUJFWSA-N 339.391 2.611 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1COc2ccccc2C1 91536721 UCKXMASOVRHHIX-HNNXBMFYSA-N 341.411 2.985 0 50 EFAA Cc1ccnc(CNc2nc(CC3CC3)nc3c2CCN(C)CC3)c1 96162064 BYFZFEGKWXPYRQ-UHFFFAOYSA-N 337.471 2.775 0 50 EFAA CCCn1ncc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c1C 91770416 YONODDWHDDTSNM-OAHLLOKOSA-N 340.427 2.732 0 50 EFAA COc1cccc(N2CCN(C(=O)CC[C@H]3CCCCN3C)CC2)c1 95383440 HNVXHGMQZLJHLJ-QGZVFWFLSA-N 345.487 2.608 0 50 EFAA COc1cc2c(cc1-c1cn(Cc3ccc(CO)cc3)nn1)CCC2 91364681 YRHWJUVFZVOEAO-UHFFFAOYSA-N 335.407 2.983 0 50 EFAA CCc1nnc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)o1 91636174 IEJMIHKGMKAABJ-DOTOQJQBSA-N 344.434 2.868 0 50 EFAA Cc1cccn2c(=O)c(C(=O)NCc3ccc(Cl)s3)cnc12 179728730 LYNGGCFKFGURKW-UHFFFAOYSA-N 333.800 2.648 0 50 EFAA O=S1(=O)CCC[C@@H](Cc2nc(-c3ccc(Cl)cc3F)no2)C1 293356478 NRJGNFDNWCVULR-VIFPVBQESA-N 344.795 2.896 0 50 EFAA CC[C@@H](C(=O)N(CC)CCc1nc2cc(F)ccc2[nH]1)N1CCCC1 240824917 QMBNVRUHORRHPQ-KRWDZBQOSA-N 346.450 2.967 0 50 EFAA C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@H]1O 252537746 MFKRVRCBSCFGLY-WKPIXPDZSA-N 343.254 2.801 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2Br)C1 299741603 GUEFCYHXVHRKQJ-SECBINFHSA-N 346.608 2.578 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)nc(O)n1 1073353654 UCJYOUILZDQUKU-KUHUBIRLSA-N 349.475 2.640 0 50 EFAA COc1cc(C)c(-c2ccc(C(=O)NCCN3CCCC3)cc2)cn1 534592703 JLEYICOKHKRSEJ-UHFFFAOYSA-N 339.439 2.891 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)c1 268412239 CVSAYAKVCAUXJV-ZDUSSCGKSA-N 346.456 2.620 0 50 EFAA COCCCN1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 362946520 XXOMHSJOWINFHS-UHFFFAOYSA-N 342.842 2.592 0 50 EFAA COCc1noc(CNC(=O)Nc2cccc(C(F)(F)F)c2F)n1 299785770 LOGREWQMKRBUOV-UHFFFAOYSA-N 348.256 2.696 0 50 EFAA O=C(CCN1CCCCCCC1)NCCOc1cccc(C(=O)O)c1 299772184 RTXSQKFDVFTIIY-UHFFFAOYSA-N 348.443 2.536 0 50 EFAA CCn1cnnc1CCNC(=O)Nc1ccc2nc(C)sc2c1 299782788 GIOMXEIPODVKDM-UHFFFAOYSA-N 330.417 2.580 0 50 EFAA CCOCCc1nc(Cc2cccc(Cl)c2)nn1CC(C)(C)O 823333372 LTPIGAPFPQUOEW-UHFFFAOYSA-N 337.851 2.872 0 50 EFAA COc1ccc(CNC(=O)N(C)C[C@H](C)CN2CCCC2)cc1F 584885491 IHXUIHDEGDFQAS-AWEZNQCLSA-N 337.439 2.708 0 50 EFAA O=c1c2ccccc2nc(NC[C@@H]2CCc3ccccc32)n1CCO 1335432052 GKTGDHXJAWONKC-HNNXBMFYSA-N 335.407 2.531 0 50 EFAA c1cnn(C2(CNc3ccc4nnc(-c5ccsc5)n4n3)CC2)c1 1336729714 RSDOXVZEAQFDMJ-UHFFFAOYSA-N 337.412 2.651 0 50 EFAA CCc1noc(C)c1C(=O)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 940216169 DFCXORVPXDEPJH-HNNXBMFYSA-N 345.443 2.576 0 50 EFAA COc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)ccn1 952986350 LHFZTZGPXHNSKL-CQSZACIVSA-N 328.368 2.900 0 50 EFAA Cn1nccc1CCC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 952975473 RSHPZDASHHHASK-GOSISDBHSA-N 343.427 2.939 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1CO)c1cccc(OCc2cccnc2)c1 269099658 HNSRPTTULIHNPS-HKUYNNGSSA-N 340.423 2.942 0 50 EFAA Cc1ccc(C[C@H](C)NC(=O)[C@H](C)n2nnnc2C(C)(C)C)s1 272308248 YRXOEUGFMBNHMP-JQWIXIFHSA-N 335.477 2.649 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N(CC)Cc1nc(O)c2ccccc2n1 408474589 GBSNLALMDCXYCL-ZBFHGGJFSA-N 343.427 2.889 0 50 EFAA CN(CCO)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 408514373 QCDRRIHDFCWQLS-UHFFFAOYSA-N 341.127 2.924 0 50 EFAA COc1c(C)cnc(Cn2cnc(NC(=O)c3ccoc3C)n2)c1C 408515143 MKYYLEKJUOKQDJ-UHFFFAOYSA-N 341.371 2.501 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CC[C@H](C)C3)n1 275233431 AXHHIPMVNNDOBX-ZWKOPEQDSA-N 347.440 2.512 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2coc3ccccc23)CCO1 276428584 WRPITTNHXIWLER-SJKOYZFVSA-N 325.368 2.816 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 276940507 ATLIPQKVSGZSGW-WMLDXEAASA-N 331.391 2.833 0 50 EFAA O=C(Nc1ccon1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278105175 JSZDDMKTAZROPS-QMMMGPOBSA-N 329.282 2.828 0 50 EFAA COc1ccc2sc(C(=O)NCc3nnc(S)n3C)c(C)c2c1 170640878 TUFYRSPLFNFCMG-UHFFFAOYSA-N 348.453 2.566 0 50 EFAA Cn1cnnc1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 188214836 GGHJZMGYZNKKNM-UHFFFAOYSA-N 340.305 2.675 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N1CCC(Cn2ccnn2)CC1 191032263 BQPGYZJBQDOGNB-UHFFFAOYSA-N 347.850 2.916 0 50 EFAA C[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CCS1 192291705 IPJCDAQWMDCRGB-CYBMUJFWSA-N 348.472 2.571 0 50 EFAA Cc1ccc(CNC(=O)[C@]2(C)CCCCN2)c(OC[C@H]2CCOC2)c1 195557000 SVCDHVLTFJEZPA-JXFKEZNVSA-N 346.471 2.559 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1 1704302915 DGZLRDPYFXISHQ-CYBMUJFWSA-N 333.457 2.528 0 50 EFAA Cc1cc(CCC(=O)N2CCC[C@@H](N)C2)ccc1Br 158047931 WPESHZMSRHZHNB-CYBMUJFWSA-N 325.250 2.640 0 50 EFAA Cc1cc(C)cc(N2CCC(N3C[C@@H]4CCCN4C(=O)[C@@H]3C)CC2)c1 1772706059 PRBAPUXZEZJTEM-HKUYNNGSSA-N 341.499 2.967 0 50 EFAA CC[C@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13710973 FTJGEFKARGJRPB-QGZVFWFLSA-N 346.452 2.548 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 15836463 BRZVNHVBXRCCJO-ZDUSSCGKSA-N 337.397 2.823 0 50 EFAA CCc1noc(C)c1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 16605016 GHXNFFWWZDJIOI-UHFFFAOYSA-N 331.391 2.643 0 50 EFAA COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 19832603 XQNYUPVJODSNBW-UHFFFAOYSA-N 326.396 2.780 0 50 EFAA CCCn1nc(C)c(-n2ccnc2C(C)(C)CN2CCOCC2)c1C 1857682173 RDVWADJHDIBKDL-UHFFFAOYSA-N 345.491 2.705 0 50 EFAA Cc1cccc(F)c1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875243090 PLBIGHUJCPRUAE-WMZOPIPTSA-N 329.371 2.709 0 50 EFAA CC(=O)NC(C)(C)c1noc(-c2[nH]nc(-c3ccccc3)c2C)n1 225607157 GAHCTEWBEKSBQN-UHFFFAOYSA-N 325.372 2.806 0 50 EFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 115671684 ODMFGWVSGHLDRI-QBYUYEEZSA-N 331.460 2.877 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccccc1)c1cccc(CN2CCCC2)c1 238021166 KYMANAAGVVTLOU-SFHVURJKSA-N 338.407 2.838 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cscc1C)CC2 239619599 BFQHSPGQNZNKMP-HUUCEWRRSA-N 338.473 2.518 0 50 EFAA O=C(c1cc(Br)cc2[nH]cnc12)N1CCc2cnccc21 252508175 XFLNFMFANBZXOB-UHFFFAOYSA-N 343.184 2.923 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 262875693 DQFVIDHYSDKDKK-SJLPKXTDSA-N 344.455 2.504 0 50 EFAA C[C@](CNC(=O)c1ccnn1C1CCCC1)(C(=O)O)c1ccccc1 263244218 CQWDTTVLFYKNMV-LJQANCHMSA-N 341.411 2.771 0 50 EFAA C[C@H]1Cc2cnccc2N1S(=O)(=O)c1occc1Br 903633658 BDNDTWZZIMSABW-QMMMGPOBSA-N 343.202 2.577 0 50 EFAA Cc1cccc([C@H](NC(=O)CN2CCC[C@H](C(=O)O)C2)C(C)(C)C)c1 909411626 CLOIYQWKVUYTDZ-WMZOPIPTSA-N 346.471 2.995 0 50 EFAA CC[C@H](C)n1ncc(NCc2cc(C3CN(C(C)=O)C3)no2)c1C 952887306 OEKSOUHJBYDDJW-NSHDSACASA-N 331.420 2.708 0 50 EFAA CCC[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(C(N)=O)nc1 875443260 DUENFFWKXPWSMF-INIZCTEOSA-N 337.423 2.871 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@H]4CCCC[C@]4(CN)C3)n[nH]2)o1 1875287564 PEQMDBCGLCRCMK-ACJLOTCBSA-N 328.416 2.569 0 50 EFAA CC(C)c1cccc(CNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 1875262236 VMFCSTVWNZNNII-KRWDZBQOSA-N 341.459 2.622 0 50 EFAA O=C1CCCN1Cc1ccccc1NCc1n[nH]cc1Br 1875286435 SBWLNMAAFHDGOI-UHFFFAOYSA-N 349.232 2.907 0 50 EFAA COc1ccccc1[C@H](C)CNC(=O)[C@@H]1NCCOc2ccccc21 1875277249 MHAOGQSVQYJPFN-AUUYWEPGSA-N 340.423 2.638 0 50 EFAA CNCc1ccccc1CNC(=O)c1cccc(-c2ccncc2)n1 1875350033 YINKADFCKUPJHC-UHFFFAOYSA-N 332.407 2.793 0 50 EFAA Cc1nc(C(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)c2ccnc-2[nH]1 1875301740 RSWWYYIVQMLSTE-NWANDNLSSA-N 338.798 2.939 0 50 EFAA Cc1csc(C[C@H]2CCN(C(=O)c3ccc4cncn4c3)C2)n1 886224693 FOEBWFVHXHQYKZ-CYBMUJFWSA-N 326.425 2.804 0 50 EFAA Cc1cccc(OCC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 886922840 ZPFOGOLRSKMDNS-MSEWRSJXSA-N 325.408 2.583 0 50 EFAA C[C@H](O)c1cccc(N2CCCN(C(=O)c3ccsc3)CC2)n1 891941286 VPINKMJFFOGRNO-ZDUSSCGKSA-N 331.441 2.549 0 50 EFAA NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccsc3)cc2)C1 1771609727 XVDKPANRLDOUBI-ZDUSSCGKSA-N 329.425 2.702 0 50 EFAA COc1cccc2c1CCC[C@@H](Nc1ccc(S(C)(=O)=O)cn1)C2 1775285726 ICBOOQXUIDKPDB-CQSZACIVSA-N 346.452 2.853 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(F)c1Cl 1775961675 RITPQBYMCODENV-KOLCDFICSA-N 338.770 2.556 0 50 EFAA Cc1cccc([C@H](O)CNC(=O)c2csc(N3CCCCC3)n2)c1 897047936 SJQXPMYRDAEYJZ-MRXNPFEDSA-N 345.468 2.905 0 50 EFAA CC[C@H]1CN(C(=O)C2(C(=O)O)CCCC2)CCN1Cc1ccccc1 911532311 PZPGEHYCXWIDAJ-KRWDZBQOSA-N 344.455 2.754 0 50 EFAA N[C@@H](c1cn(Cc2c(Cl)cncc2Cl)nn1)[C@H]1CCCCO1 2325761170 FFJHNWSNUBXMNJ-KGLIPLIRSA-N 342.230 2.597 0 50 EFAA CO[C@H]1CCN(Cc2cn(-c3ccc4[nH]ccc4c3)nn2)[C@H](C)C1 2325801307 BIXKAOXXXZTKJC-DYVFJYSZSA-N 325.416 2.748 0 50 EFAA CC(C)[C@@H](Sc1ccccc1)C(=O)N=[S@](C)(=O)CCCO 2325804178 YUCOXAZUAZWHNV-SPLOXXLWSA-N 329.487 2.810 0 50 EFAA O=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CNCc2nccn2C1 2325855867 RXRASQFAVCXSMI-IBGZPJMESA-N 346.434 2.586 0 50 EFAA C[C@@H](NC(=O)c1cnc2[nH]ccc2n1)[C@@H](O)c1c(F)cccc1Cl 2325865208 RXTUVPYODZTCJV-XLKFXECMSA-N 348.765 2.602 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)C1 855554738 XNHFIUUCGAVFFC-MAUKXSAKSA-N 330.428 2.643 0 50 EFAA COC(=O)c1ccc(COC(=O)c2ccccc2NC(C)=O)cc1 472253 VDPIYVABXUXSHY-UHFFFAOYSA-N 327.336 2.789 0 50 EFAA CCCC[C@]1(C(=O)OCC)C[C@](C)(c2csc(N)n2)OC1=O 2269714 HJZKAVVWQOXQLT-HUUCEWRRSA-N 326.418 2.627 0 50 EFAA CCC[C@@]1(CO)CN(Cc2c(Cl)cncc2Cl)CC[C@@H]1O 2356147643 HHFVDQUZBGTWMR-GJZGRUSLSA-N 333.259 2.734 0 50 EFAA O=S(=O)(Cc1ccccc1Cl)NCCOc1ccccc1 2873232 KXIAPMDXXUOUGW-UHFFFAOYSA-N 325.817 2.838 0 50 EFAA CCCCS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 6746477 YECTXHLXZDLZLA-UHFFFAOYSA-N 344.521 2.667 0 50 EFAA COc1ccc(CN(C)C(=O)CCN2CCCCO2)c2cccnc12 55036991 FFVRGGCOLKZFAA-UHFFFAOYSA-N 343.427 2.619 0 50 EFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1F)C(=O)CO2 10682570 HHGPZKGOMXSGNS-UHFFFAOYSA-N 332.306 2.637 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 100186959 VDCQPEPOOWUBBH-XJNFMUPTSA-N 337.375 2.731 0 50 EFAA CCc1nc(C)c(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)o1 67673901 XYSUNOQCBDTXGT-UHFFFAOYSA-N 340.383 2.874 0 50 EFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)C2 247396897 HHFSOWFMIKCWQK-FJIDUMEYSA-N 331.435 2.996 0 50 EFAA CCc1noc(CN(CC)Cc2cc3ccc(F)cc3[nH]c2=O)n1 67676388 VBFJJDNIVGWWRQ-UHFFFAOYSA-N 330.363 2.635 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1 229398374 FZINZOVRWOVQGQ-KGLIPLIRSA-N 349.523 2.908 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1n[nH]c2c1CCC2 119683392 CDZVACQJMPPHJH-ZDUSSCGKSA-N 344.484 2.602 0 50 EFAA CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 2792537 DGHXLJZWEHLSJF-UHFFFAOYSA-N 328.368 2.757 0 50 EFAA CC(C)c1noc([C@H](N[C@@H](C)Cn2cccn2)C2CCOCC2)n1 328633093 SKSKMVOCFSOVFA-DZGCQCFKSA-N 333.436 2.536 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)[C@H](C)C1 77487244 DBHHLCZSUIJRCV-CQSZACIVSA-N 336.395 2.882 0 50 EFAA Clc1nc(N2CCCC2)sc1CN1CCCn2cncc2C1 72129730 PJDSCKKKFKLUFI-UHFFFAOYSA-N 337.880 2.999 0 50 EFAA Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c(C)n1 121551499 PALZPZAVCSSGCL-UHFFFAOYSA-N 328.763 2.580 0 50 EFAA CC1=CCC[C@@H](C)[C@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 328623397 JBLOAQCQGRXADX-HSSOGYSNSA-N 344.503 2.830 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 155562099 ZGGHGLDIWUPQKD-MRXNPFEDSA-N 339.439 2.770 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)c(Cl)c1 30831907 FRJWHPPKGQQGNF-UHFFFAOYSA-N 349.740 2.509 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N[C@H](CC3CC3)C(=O)O)cc12 262201411 VGGFTLBPPIYCCE-LLVKDONJSA-N 335.429 2.741 0 50 EFAA c1ccc(Oc2cccc(CN3CC[C@H](N4CCNCC4)C3)c2)cc1 262238391 OVBFEXYPBGMCML-IBGZPJMESA-N 337.467 2.958 0 50 EFAA CC(C)c1cc(C(=O)Nc2cncnc2N(C)C)nn1C(C)(C)C 126466249 FKNAEZADHKFKRN-UHFFFAOYSA-N 330.436 2.870 0 50 EFAA CC(C)CN1CCn2nc(CNC(=O)CC3CCCCC3)cc2C1 77517401 ZRHPMCANOULSAK-UHFFFAOYSA-N 332.492 2.941 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)Cc2c(C)noc2C)CC1 77322672 JAGAALLAOKWFPP-UHFFFAOYSA-N 327.428 2.881 0 50 EFAA O=C1CO[C@@H]2CCN(Cc3ccc(-c4ccsc4)cc3)C[C@H]2N1 374015805 YCWXBPOEFSFMPL-IAGOWNOFSA-N 328.437 2.504 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCCN(c2ccc(F)cc2)CC1 77426550 TWJBIFBHKDSSHJ-UHFFFAOYSA-N 330.407 2.854 0 50 EFAA CS(=O)(=O)CC1CCC(N=c2nc(C3CCCC3)[nH]s2)CC1 333878281 TZRBEOPCRJYKLT-UHFFFAOYSA-N 343.518 2.633 0 50 EFAA O=S(=O)(C[C@@H]1CCCC1(F)F)N[C@H]1COCc2ccccc21 333903390 JERSJNOBTXQQKN-JSGCOSHPSA-N 331.384 2.613 0 50 EFAA COc1ccc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)cc1Cl 285669125 YYBLISJYUQITPG-CQSZACIVSA-N 336.823 2.529 0 50 EFAA CC(C)c1[nH]ccc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 285746203 HJSRQTBYPQALNA-UHFFFAOYSA-N 334.464 2.840 0 50 EFAA CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2cnn(C)c2)o1 131983109 XDRWITWYTPVCLC-DOMZBBRYSA-N 344.415 2.514 0 50 EFAA CCc1ccc([C@@H]2COCCN2CC(=O)N(C)Cc2cccs2)o1 132427063 RSRWBQMCBVDCBV-INIZCTEOSA-N 348.468 2.935 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N1CC(Oc2ccccc2Cl)C1 82134763 SMQVWEKMKKKWBI-UHFFFAOYSA-N 345.782 2.901 0 50 EFAA Cc1ccc2nc(C(=O)N[C@H](C)c3nc(-c4cccnc4)no3)cn2c1 91695501 QVLQHWNMTVJUMI-GFCCVEGCSA-N 348.366 2.579 0 50 EFAA Cc1ccccc1N1CCC(N2CC[C@]3(CCCN(C)C3=O)C2)CC1 91895881 GDMJZQJQQFEMJI-OAQYLSRUSA-N 341.499 2.908 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CCCC(N)=O)CC2)C1 91594827 SKOIANSQMWZXOS-LJQANCHMSA-N 343.515 2.844 0 50 EFAA CC1CCN(C(=O)CN2CCC[C@](CO)(Cc3ccccc3)C2)CC1 291682100 GZJDQAKWNFDLEO-NRFANRHFSA-N 344.499 2.562 0 50 EFAA CCCCS(=O)(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C 91930956 PKDPQDMRBHVYKN-CYBMUJFWSA-N 334.445 2.628 0 50 EFAA Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc2c(c1)OCCCO2 178873787 FUZLUWMGFLYWNT-LLVKDONJSA-N 330.384 2.986 0 50 EFAA CCCn1ncc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c1C 91327162 HLSCKUMQGBZNBQ-GOSISDBHSA-N 337.427 2.969 0 50 EFAA CC(C)Cc1cc(-c2cn(Cc3ccc4c(c3)OCO4)nn2)n[nH]1 92080896 WDWJMICWPFYQKH-UHFFFAOYSA-N 325.372 2.644 0 50 EFAA CC(C)c1ocnc1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 97402561 LEPFNIILKIPQCS-MRXNPFEDSA-N 337.383 2.704 0 50 EFAA CCOc1ncccc1CNC(=O)c1ccc2nc(C)c(C)nc2c1 95392464 BBDNVVCIMRGXEY-UHFFFAOYSA-N 336.395 2.970 0 50 EFAA O=C(C[C@H](O)c1cccc(F)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 292133776 GZVQRXSIEPOOOK-CABCVRRESA-N 337.782 2.573 0 50 EFAA CCn1nc(C)c(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c1C 292489914 WMCARXUNDVXPKV-LLVKDONJSA-N 333.354 2.702 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(C)c1 91713456 CEZGXEYXIHGZMZ-ZWKOTPCHSA-N 339.391 2.944 0 50 EFAA CC(=O)c1cc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cs1 97413194 JNOQPKYYRDOUJI-KRWDZBQOSA-N 342.464 2.884 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCCc1nc2ccccc2n1C 95373071 BLWYJMBJIPEGQK-MRXNPFEDSA-N 342.487 2.887 0 50 EFAA CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)CC1 91677189 HFIYGRJBKRQUCG-GOSISDBHSA-N 328.456 2.897 0 50 EFAA CN(Cc1cccc(-c2nnn[nH]2)c1)Cc1noc(C2CCCC2)n1 244691878 JKPCODGYLFDMMW-UHFFFAOYSA-N 339.403 2.539 0 50 EFAA O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 245227523 IPQWWDSWZIVFBX-QQCJEOGWSA-N 330.472 2.530 0 50 EFAA O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cccc(Cn2cccn2)c1 244884346 YKSNPUXNRLTJIV-KOMQPUFPSA-N 341.411 2.552 0 50 EFAA COCc1nn(C)cc1C(=O)N1C[C@@H]2CCCCN2c2ccccc21 295922864 ZPCGBYAWIABLJC-AWEZNQCLSA-N 340.427 2.586 0 50 EFAA CC[C@@H](CN(C)C)NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 534588909 WXQXMQXVTZRDMJ-LBPRGKRZSA-N 335.477 2.620 0 50 EFAA COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)cc1 263616866 KZDSKFXPWRBEKB-LJQANCHMSA-N 348.406 2.591 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)NCCc1cccn1C 534588340 KFOCRTRDDTWMDA-KRWDZBQOSA-N 340.471 2.736 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCc3scnc3C)[C@H]2C1 299781283 WOMLFOCZGZQBOS-UKPHBRMFSA-N 338.473 2.569 0 50 EFAA CCn1nc(CNC(=O)CCc2n[nH]c(C)c2C)c2ccccc21 299777911 PMRZMHAATREDAU-UHFFFAOYSA-N 325.416 2.645 0 50 EFAA Cc1nccn1CC[C@H](NC(=O)C1CCOCC1)c1ccccc1 299798687 VIMAQKCZYOCPHF-SFHVURJKSA-N 327.428 2.866 0 50 EFAA O=C(NCCOc1cccc2cccnc12)c1cnc(O)c(Cl)c1 828198067 OZBYWEUPBDSEQI-UHFFFAOYSA-N 343.770 2.798 0 50 EFAA Cc1cccc(-c2cccc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)c1 907029914 BKWZNLNDFIZEES-SFHVURJKSA-N 336.391 2.939 0 50 EFAA CNC(=O)NC[C@H]1CN(Cc2cc(Cl)cc3ccccc23)CCO1 931166950 LUPOGCNLOQJVOM-INIZCTEOSA-N 347.846 2.623 0 50 EFAA COc1ccccc1Cc1nc([C@@H]2CCCNC2)n(-c2cccnc2)n1 952988152 OILXPPNJCNWMLN-MRXNPFEDSA-N 349.438 2.729 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)/C=C/c1nc2ccccc2s1 952962418 BMPYDVPCJJZLDH-FBOQAHMBSA-N 327.413 2.798 0 50 EFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 1565529520 VWTRAKHAHNOYIU-ZFWWWQNUSA-N 346.862 2.934 0 50 EFAA CC[C@H]1[C@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)[C@H]2CCO[C@@H]12 1565506982 ICLYYNYJVWAVQX-DACLVMHWSA-N 325.412 2.790 0 50 EFAA O[C@H]1CN(CCCc2ccco2)CC[C@@H]1c1ccc2c(c1)OCO2 1565513396 IZTWQZCKTINKAK-SJORKVTESA-N 329.396 2.791 0 50 EFAA Cc1nc([C@H]2CCCN(CCc3nc(-c4ccccc4)no3)C2)n[nH]1 268506301 TXPFDMFWRUVINU-HNNXBMFYSA-N 338.415 2.585 0 50 EFAA Cc1nnc2ccc(N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nn12 269461606 YAYYQLXFTXBYPU-CVEARBPZSA-N 341.390 2.664 0 50 EFAA Nc1nc(N2CCCC[C@H]2c2nccs2)nc(C(F)(F)F)n1 892185146 HKOMXVGCEICJMR-ZETCQYMHSA-N 330.339 2.661 0 50 EFAA Cc1cc(C)nc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1 276091174 VXFXPKQLTJHCQC-ZDUSSCGKSA-N 345.403 2.810 0 50 EFAA O=S(=O)(NCCC1=CCCCC1)c1cnn(CC(F)(F)F)c1 186013256 HTGBNQSAXUAAOY-UHFFFAOYSA-N 337.367 2.614 0 50 EFAA CCOC(=O)C1=C(C)Nc2nc(C(C)C)nn2[C@@H]1c1cccc(O)c1 170625801 GNMYGTRJUPMDHZ-OAHLLOKOSA-N 342.399 2.959 0 50 EFAA Cn1ccc2c(NS(=O)(=O)c3cc(C(=O)O)cs3)cccc21 170620415 KKBSLLRYGLEJGR-UHFFFAOYSA-N 336.394 2.739 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2csc(Cl)c2)CC1 188479283 NNDMKABCIBLYKX-CYBMUJFWSA-N 339.848 2.721 0 50 EFAA C[C@H](C(=O)NCc1nc(C(=O)O)cs1)c1ccc(Cl)s1 190998903 DXFUEVWMQVIKDZ-LURJTMIESA-N 330.818 2.976 0 50 EFAA C[C@H](CNC(=O)N[C@@H]1CCCc2c(O)cccc21)Cn1cccn1 191499556 LSJOCMBCEULNFO-CZUORRHYSA-N 328.416 2.602 0 50 EFAA COc1ccc(NC(=O)[C@H]2C[C@H](OC)CN2)cc1Cc1ccccc1 191881651 XTHQYHQNVRHWMG-ZWKOTPCHSA-N 340.423 2.601 0 50 EFAA COc1cccc2c1CCN(Cc1cc(-c3cnn(C)c3)no1)CC2 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343.471 2.756 0 50 EFAA COc1cnc(C)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1C 1857672274 ODMHHUXSVMIXNE-INIZCTEOSA-N 342.443 2.989 0 50 EFAA Oc1nc(N[C@H]2CCN(c3ncccc3F)C2)nc2ccccc12 301588006 XJYKROLIGMRUHL-NSHDSACASA-N 325.347 2.560 0 50 EFAA Cn1c2ccccc2c2cc(CC(=O)N3CC[C@@H]4CNC[C@@H]43)ccc21 213041488 WLHLBTZFPGKJJP-QRWLVFNGSA-N 333.435 2.694 0 50 EFAA NC(=O)C1(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 225388962 GNIHNQXFZJTJEU-UHFFFAOYSA-N 338.810 2.673 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1c1ncncc1Br 225578999 KRIPVCXXINCEQH-KGYLQXTDSA-N 326.238 2.759 0 50 EFAA Cc1cc2c(cc1C)N[C@H](CC(=O)NCCc1ccccc1)C(=O)N2 2890076 VUDNGTUIZSPZDB-GOSISDBHSA-N 337.423 2.785 0 50 EFAA CC(C)(CNC(=O)c1ccc(C(N)=O)nc1)c1cccc(Cl)c1 122660316 PLBUNGLPQRPRLR-UHFFFAOYSA-N 331.803 2.542 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2csc3ccccc23)[C@H]1C(=O)O 331955798 HUTXMEBQWZKOPE-QMTHXVAHSA-N 339.438 2.775 0 50 EFAA Cc1ccccc1C1(CNC(=O)c2ccc(C(=O)O)o2)CCOCC1 237695068 SQAOEBFSWFLCBQ-UHFFFAOYSA-N 343.379 2.764 0 50 EFAA 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2.684 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nncn2-c2ccccc2)C1 225530621 JQASUGPXOWJNTF-ROUUACIJSA-N 338.386 2.714 0 50 EFAA Cc1cc(N2CCC(N(C)C[C@H](O)CC3CCCC3)CC2)nc(C)n1 225597438 RWZWNXJNOHOCSE-LJQANCHMSA-N 346.519 2.935 0 50 EFAA COCCN(Cc1sccc1C)C(=O)COc1ccccc1O 55060945 HGVFKWUMCSCPFE-UHFFFAOYSA-N 335.425 2.816 0 50 EFAA CCCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O 54253548 WCBMRKHOUPHPNX-UHFFFAOYSA-N 340.471 2.743 0 50 EFAA CSCC(=O)N1CCC[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 23145645 NLYPAJBWFVKYHM-CVEARBPZSA-N 332.469 2.503 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)NS(=O)(=O)c1ccccc1F 118141222 DBTBYZKQNUWXFW-LBPRGKRZSA-N 349.383 2.587 0 50 EFAA O=C(N[C@H](C1=CCCN(Cc2ccccn2)C1)C(F)(F)F)C1CC1 65370828 YRVDNIQGIUQXON-OAHLLOKOSA-N 339.361 2.671 0 50 EFAA Cc1cccc(CN2CCC[C@@H](CNC(=O)c3cc(N)ccn3)C2)c1 67754472 YWJIQDYXZRSXIQ-KRWDZBQOSA-N 338.455 2.614 0 50 EFAA COc1ccc(CN2CCN(CC(C)C)C[C@@H]2CCO)c(C)c1C 20911857 GROSRWYDWQZNSW-IBGZPJMESA-N 334.504 2.837 0 50 EFAA CC(C)(C)C(=O)CNC(=O)c1ccc2nc(C(F)(F)F)cn2c1 353768998 OZQOBWMZWBZCSQ-UHFFFAOYSA-N 327.306 2.698 0 50 EFAA CCOCC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 252487384 WCSQKPNGPBUUSA-WBVHZDCISA-N 326.387 2.641 0 50 EFAA C[C@H]1CCO[C@H](C(=O)Nc2ccccc2N2CCC(CO)CC2)C1 354056184 FEQVOWNARMLUMU-KSSFIOAISA-N 332.444 2.649 0 50 EFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CCCN1 67895108 FLDRICCIEUTSQD-MRXNPFEDSA-N 325.412 2.859 0 50 EFAA CN(C)c1ccc([C@@H](O)[C@](C)(O)c2nc3ccccc3n2C)cc1 450715 UKURFEZPMWJIHX-MJGOQNOKSA-N 325.412 2.580 0 50 EFAA C[C@@H](CC(N)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 253404326 JQHHACHNIMPNSS-NSHDSACASA-N 342.361 2.755 0 50 EFAA CS(=O)(=O)c1nnc(CN2CCC[C@@H]2/C=C/c2ccccc2)s1 328586837 STSDLKMKLVHDRM-ATWMFIQVSA-N 349.481 2.619 0 50 EFAA COc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1OC(F)F 299371646 WDKKKJYJUMXLMP-GFCCVEGCSA-N 340.370 2.607 0 50 EFAA Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1OC(C)C 120190677 YATBBVMPWIPMHJ-CQSZACIVSA-N 329.404 2.510 0 50 EFAA 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CCc1ccc(C(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)[nH]1 218959185 KNGOONLEHCIXJB-GOSISDBHSA-N 342.443 2.653 0 50 EFAA CN(C)C(=O)NCC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 72411217 FEVONTGFQVIQGV-UHFFFAOYSA-N 341.411 2.709 0 50 EFAA O=C([C@@H]1CC[C@H](NCc2cnn3ccccc23)C1)N1CCCCC1 373868405 SIZSWKVUGWDZOS-WBVHZDCISA-N 326.444 2.605 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2ccccn2)CC1(C)C 77437095 WIABICZZYLNCEK-UHFFFAOYSA-N 325.412 2.831 0 50 EFAA CN1Cc2ccccc2[C@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 378273306 AZBSGZJXAYBQIP-HXUWFJFHSA-N 346.434 2.848 0 50 EFAA COC(=O)Cn1ccc(NC(=O)N[C@@H](C)c2ccccc2SC)n1 282372288 VRUONHHBQJGBHZ-NSHDSACASA-N 348.428 2.661 0 50 EFAA NC[C@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn23)C1 72406970 XVEFZSAGQIYHBZ-CYBMUJFWSA-N 325.391 2.711 0 50 EFAA O=C(C1CCCC1)N1CC[C@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1 127761276 DAQYMCUVPWFQFG-ZWKOTPCHSA-N 338.455 2.880 0 50 EFAA Cc1cnc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)s1 172719189 WYQJJBZIBWYEQI-GFCCVEGCSA-N 349.481 2.824 0 50 EFAA C[C@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1)n1cccc1 72408840 YKUMLTSBVZFVMZ-OAHLLOKOSA-N 342.395 2.574 0 50 EFAA C[C@@H]1C[C@H]1c1nnc2ccc(N[C@H]3CCOC4(CCCCC4)C3)nn12 333624925 ZDGJSIIZGYCNRB-QLFBSQMISA-N 341.459 3.542 0 50 EFAA COc1cccc(C(=O)NCC(=O)N2CCC3(CCCCC3)C2)c1 173421317 QIUYCKVAVUQNAK-UHFFFAOYSA-N 330.428 2.608 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(CCOc2cccc3ccccc23)C1 284544907 HLKSNFLXXKBUPJ-WBVHZDCISA-N 338.411 2.799 0 50 EFAA COCc1cccc(CN[C@@H](c2nccn2C)C2CCOCC2)c1 284846891 XEWNQFCPCZLJNQ-GOSISDBHSA-N 329.444 2.824 0 50 EFAA CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C)CC1)c1ccccc1 241383551 MWDGVPDVMUBUQQ-FHLIZLRMSA-N 328.456 2.943 0 50 EFAA CC(C)Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)n(C)n1 82096676 PPRUZLPHYUSDTF-UHFFFAOYSA-N 334.508 2.955 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)s1 220532537 JKMMDZCBFVCCDE-CVEARBPZSA-N 346.452 2.864 0 50 EFAA CCN(C(=O)c1ccc(Cl)cc1C)[C@H](C)CS(=O)(=O)CC 132272393 LWKTXVTUFBVBIA-GFCCVEGCSA-N 331.865 2.934 0 50 EFAA CCc1cc(N2CCC(NC(=O)N3CCCC[C@H]3C)CC2)ncn1 175464085 YMBOTHUJSFBGMB-CQSZACIVSA-N 331.464 2.592 0 50 EFAA CCC(C)(C)c1ccc(CNC(=O)N[C@H](CO)c2ccnn2C)cc1 458574870 OVDQVTNJUZEJAJ-MRXNPFEDSA-N 344.459 2.641 0 50 EFAA COc1cccc2c1CCN(C(=O)N[C@H](C)c1ccnc(O)c1)CC2 458861088 RMMDICMXSCRKRS-CYBMUJFWSA-N 341.411 2.667 0 50 EFAA CSc1ncc(C(=O)NCc2coc(-c3ccccc3)n2)cn1 220469502 KAALLCAETYMITI-UHFFFAOYSA-N 326.381 2.784 0 50 EFAA Cc1cc(C(=O)N(C)Cc2cc(C(C)C)no2)c2c(C)nn(C)c2n1 426567185 ZLNKBYHSQNZLNG-UHFFFAOYSA-N 341.415 2.969 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@@H]2COc3ccccc3C2)nc1 91997577 SUICOUWVWZSRFZ-INIZCTEOSA-N 325.412 2.560 0 50 EFAA Cn1cc(SCC(=O)N2CCc3[nH]cnc3C2)c2ccccc21 95367673 SJXKALMQCJPYQP-UHFFFAOYSA-N 326.425 2.578 0 50 EFAA CCN(CC)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91848976 RDTCLYUWYJZYNA-UHFFFAOYSA-N 329.444 2.720 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1 178990662 NCXLBEASKLERBU-AWEZNQCLSA-N 332.444 2.698 0 50 EFAA CN(C)[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(F)cc1 95387465 HWKWHNAQOKHHMU-MRXNPFEDSA-N 332.423 2.765 0 50 EFAA Cc1ccc([C@H](C(=O)N(C)Cc2cc(C3CC3)[nH]n2)N(C)C)cc1 95382130 PVUMCQBSAXDWGX-GOSISDBHSA-N 326.444 2.857 0 50 EFAA CCOc1ccc(NC(=O)NCCc2nc(C)cc(C)n2)c(F)c1 96130797 JPCQAIMPKAZANZ-UHFFFAOYSA-N 332.379 2.995 0 50 EFAA O=C(c1ccc(F)cc1Cl)N1CCC2(CC1)OCCC[C@@H]2O 95368295 YQWYFKWNGQNRGR-AWEZNQCLSA-N 327.783 2.625 0 50 EFAA Cc1nnc(SCCCNC(=O)c2cc(C(C)C)no2)s1 97813824 XAKQFDBMWAUWHQ-UHFFFAOYSA-N 326.447 2.870 0 50 EFAA COc1ccccc1CN(CC(=O)Nc1ccn(C)n1)C1CCCC1 244633496 GEAJEQRMWWMNOK-UHFFFAOYSA-N 342.443 2.812 0 50 EFAA CN(C)C(=O)c1cccc(NC(=O)CN2CCc3c(F)cccc32)c1 184047972 MWZLAOAAXLYCDV-UHFFFAOYSA-N 341.386 2.529 0 50 EFAA C[C@H]1CNC(=O)CCN1C(=O)Cc1ccc2c(c1)c1ccccc1n2C 243932670 BXQGOMJHCNRTLL-AWEZNQCLSA-N 349.434 2.611 0 50 EFAA Cc1cccc(OC2CN(C(=O)NCC3(CN4CCCC4)CC3)C2)c1 534588270 OPTSIGRDWPYQEX-UHFFFAOYSA-N 343.471 2.644 0 50 EFAA O=C(CNC(=O)N1CCCC[C@@H]1CCc1cccs1)N1CCCC1 534665411 NNTMEWYFNMMRIF-OAHLLOKOSA-N 349.500 2.867 0 50 EFAA CCCC[C@H]1C=CCN1C(=O)Nc1cccc(-n2nnnc2C)c1 299779383 UARUTRGZSRQSHV-HNNXBMFYSA-N 326.404 2.933 0 50 EFAA O=C(NCC[C@H]1CCCCN1Cc1ccccc1)c1cccc(O)n1 828928393 QTILEGUXXWCCPI-QGZVFWFLSA-N 339.439 2.962 0 50 EFAA C[C@@H](NC[C@@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 685940648 QPHPNOIAWWIUJD-MLGOLLRUSA-N 340.489 2.991 0 50 EFAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1cc(O)ncn1 952967951 AAKKTNLIYHIVNH-HNNXBMFYSA-N 337.379 2.808 0 50 EFAA CC(C)(C)O[C@@H]1C[C@@H](NC(=O)CCc2ccccn2)[C@@H]1n1cccn1 408520673 RIEXAUOYZAITNT-NUJGCVRESA-N 342.443 2.524 0 50 EFAA COCc1nc(C)cc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 269898686 SOVYZDSSBRJGJE-DOMZBBRYSA-N 335.354 2.522 0 50 EFAA O[C@H](C[C@@H]1CCCCCN1c1nccn2cnnc12)c1ccccc1 271349598 NMSUOPRPAUGMHT-DLBZAZTESA-N 337.427 2.997 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 274124272 UADAVJRMJIFWCO-SNVBAGLBSA-N 334.800 2.520 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C2(c3ccccc3)CCCC2)n1 275299303 HMOVOLLYZHBDHW-HZPDHXFCSA-N 341.411 2.524 0 50 EFAA Cc1noc(C)c1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 275495159 ZXKKYEXGJHOZDH-AWEZNQCLSA-N 348.403 2.696 0 50 EFAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1ccsc1 170598147 CCBBNQSLCPADSC-OAHLLOKOSA-N 344.436 2.850 0 50 EFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 170659980 GJJVXUOEGTXKDS-LRTDBIEQSA-N 343.514 2.732 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(C)(C)C)CC2)o1 170629263 BIMNIBSBMDREFY-GFCCVEGCSA-N 343.445 2.903 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279598548 BBDHUXXRMHOBCS-IUODEOHRSA-N 344.377 2.680 0 50 EFAA CN(C)[C@@H](CNC(=O)c1ccnc2ccncc12)c1cccs1 186766383 AWFGPSOAFHFGPL-HNNXBMFYSA-N 326.425 2.724 0 50 EFAA CCO[C@H]1C[C@](CO)(NC(=O)c2cc(C)n(C(C)C)c2C)C1(C)C 188765559 UJAZYNBNIPQMGY-QFBILLFUSA-N 336.476 2.982 0 50 EFAA CC(C)c1ccccc1S(=O)(=O)NC1CCN(CC(F)F)CC1 192836344 RXFQCOUFZUGFAE-UHFFFAOYSA-N 346.443 2.818 0 50 EFAA CCOc1nc(C(=O)N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)co1 681296367 WOMOXVZSBPBZIA-IAQYHMDHSA-N 334.347 2.815 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cccc2cccnc12 1529125703 XJVOOAOCLOEAMU-AEFFLSMTSA-N 333.391 2.617 0 50 EFAA O=C(CC1CCN(Cc2ccccc2)CC1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775983046 HAZJAWWZJZGRKU-PMOLBWCYSA-N 342.483 2.518 0 50 EFAA Cc1nc2ccc(-n3c[n+]([O-])c(C(=O)Nc4ccccc4)c3C)cc2[nH]1 1776111637 ILJXHZMRQIYUCV-UHFFFAOYSA-N 347.378 2.856 0 50 EFAA Cc1cccc(CNCCn2cc(C(=O)Nc3ccccc3)nn2)c1 12028299 VGVJFVUSDRNLAW-UHFFFAOYSA-N 335.411 2.629 0 50 EFAA O=C1CCN(C(=O)[C@H]2CC=CCC2)CCN1Cc1cccc(F)c1 12040588 SJDHDZRBLQOIJY-INIZCTEOSA-N 330.403 2.743 0 50 EFAA Cn1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)cn1 12234423 QPTGCOMCHXURHU-MRXNPFEDSA-N 337.420 2.865 0 50 EFAA CSCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 12579916 ORUIDGAPAYGXCA-CYBMUJFWSA-N 338.448 2.547 0 50 EFAA COc1ccc(-c2cnnc(N3CCC[C@@H]3c3nonc3C)n2)cc1 14950749 ISGHUDMEOUGROQ-OAHLLOKOSA-N 338.371 2.580 0 50 EFAA O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C1CCCCC1 16041371 BKVNXLBMAGVVNG-GOSISDBHSA-N 337.423 2.596 0 50 EFAA biogenic CC(C)[C@@H]1CO[C@@]23CCN(Cc4cccc5[nH]ccc45)[C@@H]2CC(=O)N13 1857736044 NMJOMEMIIFIDRH-NSHGMRRFSA-N 339.439 2.726 0 50 EFAA CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(C)n[nH]c2C)c1 414495823 ORZLXAJVODBHHJ-UHFFFAOYSA-N 341.864 2.763 0 50 EFAA Cc1cc(NC(=O)CN[C@@H]2CCC(O)=NC23CCC3)n(C(C)(C)C)n1 328683437 DLCMWXHEMHFZGJ-CYBMUJFWSA-N 347.463 2.516 0 50 EFAA COCc1cccc(CN2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 344249868 TUDPLTCQLFNACT-JKSUJKDBSA-N 344.377 2.864 0 50 EFAA Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)on1 248121131 VEDCUHQABJBCOU-ROUUACIJSA-N 339.439 2.649 0 50 EFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 248264127 NPVMYWDOJKISJJ-RDJZCZTQSA-N 342.439 2.918 0 50 EFAA CN(CC1CCOCC1)C(=O)c1cc(COc2ccccc2)on1 19730980 KVGCNRKJQALAID-UHFFFAOYSA-N 330.384 2.752 0 50 EFAA O=C(O)COc1cccc(C(=O)NCC2(c3cccc(F)c3)CC2)c1 262067248 DVZNTUUOSXMKCJ-UHFFFAOYSA-N 343.354 2.751 0 50 EFAA CC(C)CN(Cc1ccccc1F)C(=O)[C@@]1(C)CCCS1(=O)=O 902079121 RJBVLYTVTQIQFM-QGZVFWFLSA-N 341.448 2.778 0 50 EFAA Cc1csc(N(C)C(=O)C2(n3cc(Br)cn3)CC2)n1 902684650 MWTNQJHHWCSQMO-UHFFFAOYSA-N 341.234 2.563 0 50 EFAA Cc1cc(N2C[C@H]3COC[C@@H](C2)CN3C)nc2cc(Cl)ccc12 1704325958 PTFJMBJNWDJOGM-HIFRSBDPSA-N 331.847 2.963 0 50 EFAA Cn1cc(Br)c(=O)c(NC(=O)NCC(C)(C)C2CC2)c1 930815875 KVMCNQYSOFGOQQ-UHFFFAOYSA-N 342.237 2.706 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccncc1Cl 952890011 LHUUVDXJEIFBKG-LBPRGKRZSA-N 334.763 2.524 0 50 EFAA COc1ccc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)cc1F 952890727 HOXPEKNNTBYXAU-YPMHNXCESA-N 333.363 2.667 0 50 EFAA O=C([C@@H]1C[C@@H]1c1nc2cccnc2[nH]1)N1CC[C@@H](Nc2ccccc2)C1 1875293618 WSFCPZLXGZYGEC-OWCLPIDISA-N 347.422 2.774 0 50 EFAA O=C(O)c1cc(CN2CCN(C(=O)c3ccccc3F)CC2)cs1 1875270515 AMCZOXOQDFOMFP-UHFFFAOYSA-N 348.399 2.543 0 50 EFAA O=S(=O)(Nc1cnc(C2CC2)nc1)c1c[nH]c(C(F)(F)F)c1 1875260367 YHGKVRJUYIUPMF-UHFFFAOYSA-N 332.307 2.502 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)cc1 1875373437 ARBUEDRRQFBQSJ-YJBOKZPZSA-N 343.471 2.638 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)n[nH]c21 1875393530 IOQTTYCXPJMOGZ-KGLIPLIRSA-N 346.475 2.522 0 50 EFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=N[C@H](C)C(C)(C)CN(C)C 1875310285 LMKORLPSYKDXNR-GFCCVEGCSA-N 348.882 2.706 0 50 EFAA CC(C)(C)c1nnc(Cn2cnc3c(sc4ncccc43)c2=O)o1 882203665 WKJMKPQMROZYMK-UHFFFAOYSA-N 341.396 2.735 0 50 EFAA Cc1nnc(-c2ccc(-c3nnc([C@@H]4CCCOC4)o3)cc2)n1C 886084662 WKEJRSDBURMFKW-CQSZACIVSA-N 325.372 2.735 0 50 EFAA O=C(CN1CCCCCC12CNC2)Nc1ccccc1C(F)(F)F 888097651 WGGDWQVGHGBACF-UHFFFAOYSA-N 341.377 2.862 0 50 EFAA Cc1cc(NC[C@@H](c2ccccc2)C2CCNCC2)n2ncnc2n1 2325777294 TYALGUCDDCTAAR-KRWDZBQOSA-N 336.443 2.628 0 50 EFAA Cc1nc2c([nH]1)[C@@H](C(=O)N1CCO[C@H](c3ccccc3)C1)CCC2 2325806014 MBQJUWTTZHUNFQ-RDJZCZTQSA-N 325.412 2.738 0 50 EFAA Cc1c(C(=O)NCC[C@@H]2CCc3ccccc3C2)cnc2ccnn12 2325819945 VVXGHAAZQWKZAX-HNNXBMFYSA-N 334.423 2.963 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(F)cc1Cl 107862 OCPVWLWAVHGGPO-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA O=C(CSc1nncc(O)n1)Nc1cccc(Cl)c1Cl 1282261 INAGIOXVYPVTSY-UHFFFAOYSA-N 331.184 2.615 0 50 EFAA CCn1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)n1 2356145941 YELGICZOUPKTPW-UHFFFAOYSA-N 331.441 2.669 0 50 EFAA O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(c2ccccc2)C1 2871393 OFJLIMSKNCVWMH-HNNXBMFYSA-N 326.371 2.538 0 50 EFAA O=C(O)C1(NS(=O)(=O)c2ccc(F)c(Cl)c2)CCCCC1 4272494 XHMNTFYHXUBTJX-UHFFFAOYSA-N 335.784 2.545 0 50 EFAA O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21 4295455 GZIPKUFZADQXBS-CYBMUJFWSA-N 343.814 2.879 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 4492012 KCMLGQXGCSFIHE-MRXNPFEDSA-N 348.399 2.675 0 50 EFAA CC(C)(O)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 225432147 MSFSNRUAZHNYPH-UHFFFAOYSA-N 330.359 2.716 0 50 EFAA CC[C@@H](C)S(=O)(=O)N1CCc2[nH]nc(-c3cc(C)oc3C)c2C1 23312073 WHBCLYAZUXYVLF-LLVKDONJSA-N 337.445 2.773 0 50 EFAA O=C1NC(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 100412151 MPQWYPLPWGUMJE-MRXNPFEDSA-N 336.326 2.559 0 50 EFAA in-vitro Cc1cc(NCc2cn3nc(C)sc3n2)nc(-c2cccnc2)n1 65386158 PHBQLDLWMMVYSD-UHFFFAOYSA-N 337.412 2.872 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 248165711 ZQANHDTWWWEVOO-LSDHHAIUSA-N 342.468 2.904 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)NCc1nc2c([nH]1)CCCC2 1362967123 HOKAJGWFEWOEFJ-HNNXBMFYSA-N 331.391 2.901 0 50 EFAA CC(=O)NCc1cccc(-n2ccnc2-c2cccc(C(=O)O)c2)c1 67920794 WJYJBLRSLAFUIM-UHFFFAOYSA-N 335.363 2.874 0 50 EFAA Fc1ccc(N2CCCN(Cc3nc(CC4CC4)no3)CC2)cc1 23159463 FFDMYFCMXUECFA-UHFFFAOYSA-N 330.407 2.874 0 50 EFAA O=C([C@@H]1CCCOC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 171027715 NSZHQAHFXYZODO-MRXNPFEDSA-N 336.863 2.801 0 50 EFAA CCO[C@@H](C)c1noc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 229295384 MSUSXQFHKFKGPS-WCQYABFASA-N 347.419 2.807 0 50 EFAA Fc1ccc(-n2nccc2CNc2ccc(-n3cnnn3)cc2)cc1 353366049 WRFHREXTLJIWIM-UHFFFAOYSA-N 335.346 2.599 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3c[nH]nc3CC)CC2)OC1=O 72457669 FMYOUQFMXIDTCL-CYBMUJFWSA-N 348.447 2.588 0 50 EFAA COc1cccc(C2=NO[C@H](C(=O)Nc3cccnc3Cl)C2)c1 5029380 MTWJYFKZLKCYIV-AWEZNQCLSA-N 331.759 2.875 0 50 EFAA c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2cn(-c3ccccc3)nn2)cc1 72153799 AKGLQCRNHUMSLU-SFTDATJTSA-N 345.450 2.726 0 50 EFAA CCc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)O)cc2F)c1 433500561 XJPQTXSOCWAYRO-UHFFFAOYSA-N 339.344 2.593 0 50 EFAA Cc1ncc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(C2CC2)n1 281202315 BYDPWDXIQPDSFY-UHFFFAOYSA-N 334.383 2.710 0 50 EFAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCCNCC1 435380500 OGXZLVMKCLTURM-UHFFFAOYSA-N 332.879 2.997 0 50 EFAA CCc1nccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)n1 216205900 ZGLKJNFLXYDDHN-HXUWFJFHSA-N 336.483 2.714 0 50 EFAA CC(C)[C@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1 71763103 CHQKXLRAIILBBS-SFHVURJKSA-N 337.423 2.874 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H]2CCC[C@H](C(=O)O)C2)c(OC)c1 262578107 PJEQNSGJGSNSHD-STQMWFEESA-N 335.400 2.553 0 50 EFAA CCn1cc(C2CCN(C(=O)N[C@@H](C)c3cnn(C)c3C)CC2)cn1 172550154 KWFMZMPTVAOJQL-ZDUSSCGKSA-N 344.463 2.595 0 50 EFAA CCOc1ccccc1-c1nccn1[C@@H](Cc1c[nH]cn1)C(=O)OC 71661218 SFRZJVNXCVKNIH-HNNXBMFYSA-N 340.383 2.629 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)[C@H](OC)c2ccccc2)cc1 77686637 HVPJRPATNWWPBY-QGZVFWFLSA-N 328.368 2.598 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282451368 HHCULSICIWUTTJ-IAGOWNOFSA-N 347.361 2.850 0 50 EFAA C[C@H](CN1CCCC1=O)NC(=O)c1c(Cl)c2ccccc2n1C 299246939 ZSTQPAHSKDMKFP-LLVKDONJSA-N 333.819 2.572 0 50 EFAA CC(C)CCN1CCC(CNC(=O)c2cnn3c2CCCC3)CC1 127651869 DZNLNVDGPJQETH-UHFFFAOYSA-N 332.492 2.707 0 50 EFAA CCCCOCC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 72144172 HZBKGFYMPUHFKS-MRXNPFEDSA-N 348.443 2.677 0 50 EFAA CC[C@@H]1CN(c2nc(C3CCCCC3)ns2)C[C@@H](C)S1(=O)=O 333764837 DGNODZROSLPYMW-DGCLKSJQSA-N 343.518 2.988 0 50 EFAA COc1cc(CN[C@H]2CCN(c3ccccc3OC)C2=O)ccc1C 237435638 YTLPMDZFNHSZNG-INIZCTEOSA-N 340.423 2.907 0 50 EFAA COc1nccnc1N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77300118 WVAMINUCHBHUFX-LJQANCHMSA-N 346.475 2.740 0 50 EFAA Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H]2CCNCC2(F)F)c1 449654847 XMCBCYUBAFVNDH-AWEZNQCLSA-N 340.414 2.858 0 50 EFAA Cc1cc2nc(-c3ccccc3)cc(NCCc3n[nH]c(C)n3)n2n1 72470662 UGHMXVSNKCIYQZ-UHFFFAOYSA-N 333.399 2.786 0 50 EFAA CCCc1ccc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1 71765387 GARLMESRKJODOC-CYBMUJFWSA-N 337.363 2.591 0 50 EFAA O=C(Nc1ccncc1)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 284574092 PCCKUXWBVUJIOH-FUHWJXTLSA-N 336.395 2.557 0 50 EFAA CCc1cc(NC(=O)c2cccnc2N2CCCCC2)nc(C)n1 174212628 BUJPEJQSFMQFQI-UHFFFAOYSA-N 325.416 2.985 0 50 EFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c(=O)cnc2ccccc21 241946766 UNTUYOPKKSJNRR-IIAWOOMASA-N 325.412 2.576 0 50 EFAA CN(C)c1nc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)cs1 222360537 APDYIEGWNCKZBD-CYBMUJFWSA-N 336.848 2.516 0 50 EFAA CN1CCCN(Cc2cccc(OCCN3CCCCC3)c2)CC1 222827334 TXONAHALWREVEC-UHFFFAOYSA-N 331.504 2.689 0 50 EFAA Cc1nc(-c2cccc(-c3cccc(C(=O)N4CC[C@@H](O)C4)c3)c2)no1 426430643 HKRJGYCFRLFTRW-GOSISDBHSA-N 349.390 2.919 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)c3cccc(-c4nccn4C)c3)C2)n1 426633883 LDUCPTXTIUVHLB-UHFFFAOYSA-N 335.411 2.598 0 50 EFAA Cc1ccccc1[C@@H](O)CNC(=O)NCCCCN1CCCCCC1 426728264 KQHHUHZEOQBDNY-IBGZPJMESA-N 347.503 2.984 0 50 EFAA CCc1ncc(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)cn1 292024538 ZQWTZPNTKZSEMA-ZDUSSCGKSA-N 325.416 2.923 0 50 EFAA CC1(C)CN(C(=O)c2cnc3ccccc3n2)C[C@H](C(F)(F)F)O1 292253022 DXZFYTFQGFMLCK-CYBMUJFWSA-N 339.317 2.812 0 50 EFAA COc1cccc(-n2c(CN)nnc2SCc2csc(C)n2)c1 426620033 LOOAPHIRYOJAMG-UHFFFAOYSA-N 347.469 2.792 0 50 EFAA O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95356759 SUMHSUZSNDTIPV-QFBILLFUSA-N 339.414 2.957 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)C3CCN(C4CCCCC4)CC3)C2)n1 95380978 IITXPCOETNVFGB-UHFFFAOYSA-N 344.503 2.928 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)Cc1cccc3ccccc13)CC2 426383062 GKMQZRYXOSZIDG-SLYNCCJLSA-N 339.435 2.913 0 50 EFAA CCN(C)C(=O)c1ccc(-c2ccc(O[C@@H](C)C(N)=O)cc2)cc1 426658544 TWKADRNSHWFMNX-ZDUSSCGKSA-N 326.396 2.698 0 50 EFAA COCCN(Cc1nccs1)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 91894280 DGENMOFKRIAFPO-UHFFFAOYSA-N 346.412 2.723 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCc2[nH]nc(C3CC3)c2C1 91417015 IRNDIFJIPPWMIE-UHFFFAOYSA-N 333.395 2.876 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)COc1ccc(Cl)cc1Cl 91679646 PAHNEBAJGSXYCF-JTQLQIEISA-N 340.210 2.910 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)c1ccc(Cl)c(C(=O)O)n1 95498725 KIRXADPDSBSCFO-AWEZNQCLSA-N 345.830 2.926 0 50 EFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)oc1C)C2 91635462 BUGWGYWTVKGTHV-JKSUJKDBSA-N 330.428 2.926 0 50 EFAA OC1(Cn2ccnc2)CCN(Cc2ccccc2C(F)(F)F)CC1 97619617 QKJFMBJRBXBGNG-UHFFFAOYSA-N 339.361 2.929 0 50 EFAA COc1ccc(CCN(Cc2ccccn2)Cc2nc(C)n[nH]2)cc1 244866423 VVZQNZBKOXGDSY-UHFFFAOYSA-N 337.427 2.762 0 50 EFAA O=C(CCc1ccc(F)cc1F)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244719180 LYJJDSGEFMDHHM-ZXYWRSMDSA-N 346.377 2.921 0 50 EFAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@H]2c2ccccc2)cc1 298722228 RVQWRHSMKTUIAP-OALUTQOASA-N 345.464 2.961 0 50 EFAA CCC[C@@H](NC(=O)Cc1ccc2nc(C)[nH]c2c1)c1nccn1C 534673113 GTSDIYAMRZQLAR-OAHLLOKOSA-N 325.416 2.805 0 50 EFAA CC1CCN(C(=O)CN2CCNC[C@H]2c2cccc(Cl)c2)CC1 261654079 HPLCBQMZEPAJMD-KRWDZBQOSA-N 335.879 2.545 0 50 EFAA C[C@H](c1cccc(-c2nccc(NCC(=O)O)n2)c1)N1CCCC1 534590198 PQESARMMGFSDKP-CYBMUJFWSA-N 326.400 2.797 0 50 EFAA Cc1cccnc1[C@H](NC(=O)CCN1CCCCCC1=O)C1CC1 299756552 DNKXHECTRXDTFD-LJQANCHMSA-N 329.444 2.750 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)c2ccc(SCCO)cc2)n1 299789780 AJBBARKVYRGMHZ-LLVKDONJSA-N 335.429 2.768 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1Cn1ccnc1C 821418424 VMLQAAIVSIBDAF-SFHVURJKSA-N 342.443 2.729 0 50 EFAA O=C(CCc1ccncc1)NC[C@H]1CCCN(Cc2ccoc2)C1 827822369 BYFBCYXFYQRNQC-QGZVFWFLSA-N 327.428 2.636 0 50 EFAA COCc1nc(Cn2nc(C)cc2C)n(C2Cc3ccccc3C2)n1 670439291 PBKUZSDBICDIAR-UHFFFAOYSA-N 337.427 2.626 0 50 EFAA CCOc1ccc(CCCNC(=O)C2CCN(C(=O)CC)CC2)cc1 952986265 GHJBFFNSEBVGJM-UHFFFAOYSA-N 346.471 2.783 0 50 EFAA Cc1ccsc1C(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565507054 PNQYTFOMZJMECB-GJZGRUSLSA-N 332.425 2.556 0 50 EFAA COc1ccnc(CC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c1 408515625 JYTGGNLFOIDYJF-KBXCAEBGSA-N 326.396 2.621 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2cc(C)n(Cc3ccccc3)c2C)C1 269185849 SPDWCNGEIJUZCV-SFHVURJKSA-N 325.456 2.835 0 50 EFAA Cc1ccccc1CC(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 275444736 SLPGIBROVCLGJX-OAHLLOKOSA-N 329.400 2.644 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CCO1 170604323 LYOIHLLQITZYAV-SZVBFZGTSA-N 334.460 2.752 0 50 EFAA CC(C)n1nccc1NC(=O)[C@H](C)N1CCC([C@@H]2CCCO2)CC1 189188530 RRTGAEJVQDULBT-HOCLYGCPSA-N 334.464 2.682 0 50 EFAA CCn1cnnc1[C@H]1CCCN(c2ncnc3c(C)csc23)C1 189989538 FCUYLFIJWQOISV-LBPRGKRZSA-N 328.445 2.995 0 50 EFAA CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2Cl)C1 652389857 KFGDGAVEULGGBN-IINYFYTJSA-N 345.226 2.720 0 50 EFAA CC1(C)[C@H](NCc2cnn(-c3ccc(Cl)cc3)n2)[C@H]2CCO[C@H]21 741254490 AWFGIAGWEWYPPM-BZUAXINKSA-N 332.835 2.824 0 50 EFAA CC(C)n1cc([C@]2(O)CCN([C@@H](C)CCc3cccc(F)c3)C2)nn1 794018130 FGWMCZDECDTMGP-KXBFYZLASA-N 346.450 2.913 0 50 EFAA CC(C)(C)OC(=O)[C@H](c1ccc(Cl)cc1Cl)[C@H](N)C(=O)O 199479384 FBQNQJPQGYHJJS-MNOVXSKESA-N 334.199 2.831 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)ccc1Br 300272 CDTNCNHYFDRDNZ-NSHDSACASA-N 339.233 2.953 0 50 EFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704344522 STNAZELTIQFLOY-HZPDHXFCSA-N 343.876 2.964 0 50 EFAA O[C@H]1CN(Cc2ccc(Cl)nc2)CC[C@@H]1c1ccc2c(c1)OCO2 213278573 HNDSWVRTMIBZOB-CABCVRRESA-N 346.814 2.814 0 50 EFAA Cc1oc(Br)cc1C(=O)Nc1nnc2n1CCCC2 331712837 GINNVQVNPUBZCJ-UHFFFAOYSA-N 325.166 2.531 0 50 EFAA Cc1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1 11697766 DLHAVBCXGNPVSV-UHFFFAOYSA-N 348.410 2.766 0 50 EFAA CCN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 11874639 GVHIPEQHPCFDKI-HXUWFJFHSA-N 343.515 2.843 0 50 EFAA CC(=O)Nc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 12138806 AHORPLVGOCESEB-UHFFFAOYSA-N 327.409 2.701 0 50 EFAA CN(CCN(C)C1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12597614 BDSMFSUWPGLICC-MRXNPFEDSA-N 349.519 2.500 0 50 EFAA COC(=O)c1sccc1NC(=O)COc1ccc(F)cc1F 13329459 ALVZRPSIMGOJTE-UHFFFAOYSA-N 327.308 2.830 0 50 EFAA CCCc1nc2cccnc2n1C1CCN(C(=O)[C@@H]2CCCO2)CC1 14999521 HYVLEPKMPNRATB-INIZCTEOSA-N 342.443 2.726 0 50 EFAA CCc1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1 16650800 NMHCBGYJIMMWPP-UHFFFAOYSA-N 337.383 2.673 0 50 EFAA C/C(=C\COc1cc(=O)[nH]c2ccccc12)CC[C@@H](O)C(C)(C)O 4492889 PBWIOAMUZKICDN-JIIJFUIFSA-N 331.412 2.765 0 50 EFAA biogenic,in-vitro CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc(CC(C)C)cc1)C2 1857681476 KTMDOINOPJKYCP-LJQANCHMSA-N 330.428 2.942 0 50 EFAA C[C@H](C(=O)NC1CC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 229684974 LPLDPMTZEUKYPV-GDBMZVCRSA-N 338.455 2.923 0 50 EFAA CC1(S(=O)(=O)N2CCCN(c3ccccc3Cl)CC2)CC1 641541638 DXYGBPCOMYQIFV-UHFFFAOYSA-N 328.865 2.734 0 50 EFAA COc1ccc(-c2noc(N3CCC[C@@H]([C@H]4CCNC4)C3)n2)cc1 643048324 PSQOZHXVFSXZRF-LSDHHAIUSA-N 328.416 2.571 0 50 EFAA CNCC1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 237068705 BJAXYZTZGAIDKR-UHFFFAOYSA-N 332.835 2.802 0 50 EFAA Cc1noc2ncnc(N3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)c12 249269694 IZXGYJVGCWJUHE-GWCFXTLKSA-N 332.310 2.517 0 50 EFAA CN(C)S(=O)(=O)N(Cc1cccs1)C1Cc2ccccc2C1 252487082 HSDZZBWKKYGIAP-UHFFFAOYSA-N 336.482 2.524 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O 262983387 PNWCNOKSBZCMKK-GFCCVEGCSA-N 328.368 2.976 0 50 EFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(C(=O)c2ccccc2)CC1 266009578 IUPBZEXBGWNWID-JCGIZDLHSA-N 326.440 2.844 0 50 EFAA Cc1cc(C(=O)O)cc(C(=O)N(C)[C@@H]2CCO[C@H]2c2cccnc2)c1 911758932 GWOLDHLONJZISA-SJORKVTESA-N 340.379 2.690 0 50 EFAA O=C(Nc1nn(CC(F)F)c2ccccc12)c1nnc(C2CC2)o1 1120760592 CYGNQABQEXHINW-UHFFFAOYSA-N 333.298 2.814 0 50 EFAA Cc1cccnc1[C@H]1CCC[C@H](NCc2cnn3c2CN(C)CC3)C1 952890148 VDEMNQQKEURSMT-WMZOPIPTSA-N 339.487 2.848 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2nc[nH]c2C(C)(C)C)C3)o1 952851045 CTERFJCILUSPBV-SGTLLEGYSA-N 343.431 2.593 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1N[C@@H]1CCOC2(CCOCC2)C1 1875285489 ORHJKMPGJUSTCO-MRXNPFEDSA-N 332.444 2.837 0 50 EFAA O=C(Cc1cc(C2CC2)on1)N=c1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 1875271603 NRWAUYCMFHOACO-VHRBIJSZSA-N 326.400 2.782 0 50 EFAA O=C(Cc1ccc2c(c1)CCO2)N[C@H](CO)c1ccc(F)c(Cl)c1 1875298172 QDMPLTZHOPNZDX-MRXNPFEDSA-N 349.789 2.806 0 50 EFAA O=C(COCc1ccccn1)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 889083201 RZTHKGQCKMVERO-NNUKFRKNSA-N 332.350 2.939 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)NCc2c(C)nc3ccccn23)s1 893470750 LWLYGCHCZGEXEH-GFCCVEGCSA-N 329.429 2.968 0 50 EFAA O=C(N[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12)C1CC1 1775988455 BZOXAKYIXZAPHO-RYUDHWBXSA-N 336.317 2.728 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@](CO)(C(F)(F)F)C1 899610928 FDWAXKBCVOABFU-CJNGLKHVSA-N 345.361 2.926 0 50 EFAA O=C1c2ccccc2-c2nc3ncnn3c(-c3ccc4c(c3)OCO4)c21 100114 KXDYDUAVCBUKTF-UHFFFAOYSA-N 342.314 2.731 0 50 EFAA CCOc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2)cc1 3626914 HGYLESYFPTZSTL-KRWDZBQOSA-N 343.379 2.796 0 50 EFAA CCC(CC)CC(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)COC)C[C@@H]21 2325794365 ZRWZFOOSBCSWHC-CVEARBPZSA-N 338.492 2.545 0 50 EFAA N[C@@H]1CCc2ncc(NC(=O)Cc3coc4ccc(F)cc34)cc2C1 2325797662 LKCBZFVZONKBNC-CQSZACIVSA-N 339.370 2.964 0 50 EFAA CC(C)(C)NS(=O)(=O)C1(CN=c2cc[nH]c3ccccc23)CCC1 2325861407 OWLICCAIJZQGKF-UHFFFAOYSA-N 347.484 2.709 0 50 EFAA Cc1cc(C)cc(NC(=O)NC[C@H]2CCN(Cc3cnn(C)c3)C2)c1 67713845 HFZKSKOZABKJCG-MRXNPFEDSA-N 341.459 2.681 0 50 EFAA CN1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 110636792 MUAFWYMDBAZTJO-NXHRZFHOSA-N 343.496 2.947 0 50 EFAA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 184397 HEMLHOZTHHKXFK-VXGBXAGGSA-N 340.305 2.651 0 50 EFAA COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)c1 521007 HZRVEOJTZWRRTQ-AWEZNQCLSA-N 336.438 2.867 0 50 EFAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC[C@@H]2CCCO2)CCCC1 571518 PQWLICSTABIMFW-SJORKVTESA-N 342.483 2.958 0 50 EFAA Cc1ccc(CC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356135134 QRHYDDXDRVHBIU-HXUWFJFHSA-N 326.440 2.684 0 50 EFAA O=C1C[C@@H](c2ccc(-c3cnc4c(N5CCCC5)nccn34)cc2)CN1 2356155944 OOLRUBPMAJNMRI-MRXNPFEDSA-N 347.422 2.600 0 50 EFAA O=C(C1CCN(Cc2cccc3ccccc23)CC1)N1CCOCC1 2828215 SFQASGJDTSQZMZ-UHFFFAOYSA-N 338.451 2.911 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2sc(C)nc2C)C1=O 2356170132 WHRAIKOWMRRIHE-QGZVFWFLSA-N 335.473 2.767 0 50 EFAA O=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1 4810682 REZLJLLUNLJTNE-UHFFFAOYSA-N 333.395 2.984 0 50 EFAA NC(=O)COc1ccc(CNc2ccccc2)cc1Br 4839554 RBMNSVWXJSSGGI-UHFFFAOYSA-N 335.201 2.925 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)o1 55041965 AZJDOTVJKLJTJF-VIFPVBQESA-N 349.441 2.980 0 50 EFAA Cc1cc(OC(F)F)c(C(=O)N2CCN3CCCC[C@H]3C2)s1 114250955 YHSQWJJKYGUVNN-NSHDSACASA-N 330.400 2.968 0 50 EFAA CCc1cnc(CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 246099693 MPNYKFKZVPTPHE-NWANDNLSSA-N 335.473 2.805 0 50 EFAA COC(=O)N1[C@@H]2C[C@](C)(Br)[C@](C)(Br)C[C@H]21 101042658 UMWVRFNGHWUNIB-XVIHVDPOSA-N 341.043 2.907 0 50 EFAA Cc1cc(=O)oc2c(C)c(OC[C@@H](O)CNc3ccncc3)ccc12 20745237 QREZXPKESIUJPI-HNNXBMFYSA-N 340.379 2.657 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 246456479 VQNRYVYEVIHVAP-LNPFQXMTSA-N 337.485 2.878 0 50 EFAA CN[C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 133857812 BYYTTXUMFPEWJI-CQSZACIVSA-N 336.863 2.599 0 50 EFAA Cc1ncoc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 20600874 UVSYSFSTUQGCEU-UHFFFAOYSA-N 332.747 2.659 0 50 EFAA C[C@H]1CCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2 67818810 ONJCPSVGTRKCQD-INIZCTEOSA-N 338.455 2.914 0 50 EFAA O=C(NS(=O)(=O)C1CCCCC1)[C@H]1CSc2ccccc21 118600202 QJQJUMBSLKEQQS-ZDUSSCGKSA-N 325.455 2.655 0 50 EFAA O=C(Cc1ccncc1)N1CCC(n2cc(C3CCCC3)nn2)CC1 20998107 KLGBBZAZLGLNKF-UHFFFAOYSA-N 339.443 2.737 0 50 EFAA Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1CC(C)C)CC(C)(C)CC2=O 39430185 JHQXFWIZUUPCJI-ZDUSSCGKSA-N 348.487 2.647 0 50 EFAA CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2nccn(C)c2=O)o1 121203018 JBDGMDGNWLNCBN-JSGCOSHPSA-N 344.415 2.941 0 50 EFAA Cc1ccsc1[C@H]1C[C@H]1C(=O)NS(=O)(=O)CCC(F)(F)F 253429643 HTDYWGLGJLPAGJ-DTWKUNHWSA-N 341.376 2.558 0 50 EFAA Cc1cc(N2CC[C@@H](NC3CC(C)(c4ccccc4)C3)C2=O)n(C)n1 253425300 AUWJJKAZICVSLV-OHTSDLOESA-N 338.455 2.544 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Cn2cccn2)cc1 77489561 UORNCMHMYNBHSF-SFHVURJKSA-N 326.444 2.699 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(C)cc2C)n1 77136059 PDNZDSHUOHCXPX-UHFFFAOYSA-N 327.432 2.676 0 50 EFAA CNc1nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 154255391 WJGMGGVAHHMQAL-UHFFFAOYSA-N 330.457 2.764 0 50 EFAA CC1(C)Cc2cc(-c3nccn3[C@@H]3C=CS(=O)(=O)C3)ccc2O1 72146516 RJLNZLKMPRSWRK-CQSZACIVSA-N 330.409 2.747 0 50 EFAA O=C([C@@H]1C[C@H]1C1CCNCC1)N1CCc2ccc(Br)cc21 368683260 OGRUZIWMIRCROY-LSDHHAIUSA-N 349.272 2.974 0 50 EFAA CCc1[nH]ccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 376071979 GUGVZZZUTWCEMG-KSSFIOAISA-N 325.412 2.527 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(-n2ccnc2-c2ccncc2)cc1 77440840 HIXQZAAPTHRMKE-SFHVURJKSA-N 348.406 2.843 0 50 EFAA CCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CC)C2)C1 72412127 ICSGPUJWOBRZAK-IBGZPJMESA-N 330.476 2.966 0 50 EFAA Cc1cccc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1 156970172 MLGVOECRVZZMFX-UHFFFAOYSA-N 333.457 2.830 0 50 EFAA CC(C)c1noc([C@H]2CCCN2S(=O)(=O)c2ccsc2)n1 77322975 LOANTJUEWIAVGF-LLVKDONJSA-N 327.431 2.780 0 50 EFAA Cc1cnc2c(c1)NC(=O)CN2C(=O)CCc1ncc(C(C)(C)C)o1 374550333 PFGKTEYSYSNZQQ-UHFFFAOYSA-N 342.399 2.593 0 50 EFAA CC(C)NC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1 262434770 MYULMVNFRZAZRA-UHFFFAOYSA-N 347.415 2.543 0 50 EFAA C[C@@H](C(=O)N(CC(=O)O)C1CCOCC1)c1cc2ccccc2o1 237447983 FQPDLONTTXXYLO-GFCCVEGCSA-N 331.368 2.629 0 50 EFAA CC(C)n1cnnc1CNC(=O)COc1cc(Cl)cc(Cl)c1 173079653 SVQWRKONMXJIBA-UHFFFAOYSA-N 343.214 2.861 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(C(=O)O)c(C)n2)C2CC2)cc1 263334719 NCXAERVHWBFAMK-QGZVFWFLSA-N 340.379 2.978 0 50 EFAA Cc1noc([C@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCN2C)n1 284701499 QUULLHCFUAKVRE-MRXNPFEDSA-N 345.447 2.506 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NCC[C@H]3CCCN(C)C3)c12 458221414 PMAJFXYXNMRGIQ-OAHLLOKOSA-N 343.471 2.957 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)NCc1nccc(C(F)F)n1 288864487 PVKHVQKTMOHALN-NSHDSACASA-N 348.353 2.907 0 50 EFAA CC[C@@H](NC(=O)c1ccc2c(c1)CCCO2)c1cn2cccnc2n1 426715841 HXWUCJPAEYOREQ-OAHLLOKOSA-N 336.395 2.935 0 50 EFAA O=C(NCc1cccnc1-n1cccn1)[C@@H]1C[C@]12CCc1ccccc12 175330064 NIXCZNDFRYVYDW-RXVVDRJESA-N 344.418 2.788 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)c2cnn(-c3ccccn3)c2C)no1 46197953 XEAGALJEMSVWKY-MRXNPFEDSA-N 337.383 2.849 0 50 EFAA Cc1cc(=O)cc(C(=O)NCc2csc(Cc3ccccc3)n2)[nH]1 426386833 ASXOVYYGEMKONF-UHFFFAOYSA-N 339.420 2.661 0 50 EFAA COc1ccc(CNC(=O)CCc2scnc2C)c(F)c1F 82161912 SYCOMMDRWBEPJI-UHFFFAOYSA-N 326.368 2.987 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCc1cc(-c2ccco2)on1 49026480 AJOYKTXBYYPEOL-UHFFFAOYSA-N 328.372 2.534 0 50 EFAA O=C(O)Cc1cc(C(F)(F)F)ccc1I 149476441 SQXUEKCSIQRSEV-UHFFFAOYSA-N 330.043 2.937 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2COc3ccccc3C2)nc2c1CCCC2 95524339 VELHBUKDXBRQAY-HNNXBMFYSA-N 337.423 2.531 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1Cc1cccnc1 97657161 JIEYFOCGXURHHA-RTBURBONSA-N 349.434 2.794 0 50 EFAA CSc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 95375194 RFRGFVUSCVZDPB-UONOGXRCSA-N 347.484 2.627 0 50 EFAA Cn1cccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95390918 GEQNLOMEBYBJFJ-FUHWJXTLSA-N 341.430 2.901 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](N(C)C)[C@H](CCCO)C2)ccc1Cl 91871351 UIJBZKNNJAKTHZ-WBVHZDCISA-N 338.879 2.813 0 50 EFAA COc1cc(C)ccc1OCCN1CCC2(CCC(=O)N(C)C2)CC1 91680429 CHHBPQPDKZNTNE-UHFFFAOYSA-N 346.471 2.717 0 50 EFAA Cc1ccc(C(=O)N2CCC(c3nc([C@@H]4CCOC4)no3)CC2)cc1 96163380 BGJWBLLUPUIFOB-MRXNPFEDSA-N 341.411 2.902 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(CN3CCCC3)o2)n1 97551429 ZBBFKJBNRUPTHL-ZDUSSCGKSA-N 346.431 2.948 0 50 EFAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)c1cccnc1O 244601983 DVPSZFAHDSOITI-KRWDZBQOSA-N 343.402 2.883 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(-c2cc[nH]n2)cc1 244795897 RPMAMZOFWAZENC-GPMSIDNRSA-N 348.406 2.714 0 50 EFAA Cc1ccc(CN(C)CC(=O)N[C@@H](c2nccn2C)C(C)C)cc1 252496821 PSKHULBMMGZWHA-GOSISDBHSA-N 328.460 2.674 0 50 EFAA COc1ccc(CNC(=O)CCN(C)Cc2csc(C)n2)cc1 252484369 FUWKNEFCKBJORL-UHFFFAOYSA-N 333.457 2.598 0 50 EFAA CCc1nnc(NC(=O)c2cc(N(C)C)nc3ccccc23)s1 182697262 LIYCGGANJLYLBE-UHFFFAOYSA-N 327.413 2.967 0 50 EFAA COC(=O)c1ccc(F)c(NC(=O)c2cnc3ccc(F)cn23)c1 390822278 VUHIPTLZNCZSIB-UHFFFAOYSA-N 331.278 2.651 0 50 EFAA Cc1cccc(CSCCCNC(=O)N2CCC(C(N)=O)CC2)c1 584894408 DHMDKLAJNUYNLN-UHFFFAOYSA-N 349.500 2.525 0 50 EFAA C[C@H](CN1CCCCC1)NC(=O)Nc1ccncc1Br 272689114 PZKQRKDMXBULOK-LLVKDONJSA-N 341.253 2.840 0 50 EFAA Cc1nc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccccc2C)n[nH]1 408473342 RSJQSYCIHSPGSG-KRWDZBQOSA-N 341.459 2.607 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC[C@](O)(CN(C)C)C3)c2c1 408517623 OUBKEVJBZQWGHL-IBGZPJMESA-N 330.428 2.524 0 50 EFAA C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)CCNCC2 276770546 VTCQSGFLNQULKJ-YWZLYKJASA-N 338.451 2.617 0 50 EFAA Cc1cc(C)nc(N2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 277155201 GDRKNLFRNFHIQR-MRXNPFEDSA-N 348.491 2.726 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)CC[C@H]1CCCCN1C 170614651 LQLLAQIJTKPIGD-HZPDHXFCSA-N 334.460 2.843 0 50 EFAA CN(CC1(CO)CC1)c1cncc(OCc2cccc(Cl)c2)n1 188461782 HXIBNFMALQMNJD-UHFFFAOYSA-N 333.819 2.918 0 50 EFAA N[C@H]1CCCCN(Cc2nc(-c3cccc4ccccc34)no2)C1=O 644513017 UAQKMDVYYWEEFB-INIZCTEOSA-N 336.395 2.730 0 50 EFAA Cc1nn(C)c2ncc(CN[C@@]3(CO)CCCc4ccccc43)cc12 685041644 AQVMAJLXYWMJHB-HXUWFJFHSA-N 336.439 2.590 0 50 EFAA O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccnc(F)c1 195356154 HIXNJGSGQXUEPD-UHFFFAOYSA-N 327.403 2.863 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(Cc1ncccc1C(=O)O)C2 659796328 LXJIUJNYYCFVRV-UHFFFAOYSA-N 342.395 2.962 0 50 EFAA CCOc1ccccc1C(=O)N1CCCN(CC[C@H]2CCOC2)CC1 989586398 PWBJUTDZZDGYPK-KRWDZBQOSA-N 346.471 2.660 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H](N)Cc1ccc(O)cc1 1506411714 KLCKWTCSZSJPIF-KRWDZBQOSA-N 341.386 2.541 0 50 EFAA COc1ccc(CCNC(=O)CN2CCC[C@H]2c2ccccn2)cc1 1506399020 WIWAZCYKWFHJFO-IBGZPJMESA-N 339.439 2.586 0 50 EFAA CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1506411595 ZPNGRTMSDVAYMM-CQSZACIVSA-N 332.448 2.721 0 50 EFAA Cc1ncsc1CCN(C)c1ccc(C(=O)N2CCCC2)cn1 1529146380 NLQGVTIVCOQWSA-UHFFFAOYSA-N 330.457 2.761 0 50 EFAA COc1ccc(C(=O)O)cc1CN(C)Cc1noc(CC(C)C)n1 1529190693 MGZKBAUXTLCJRI-UHFFFAOYSA-N 333.388 2.607 0 50 EFAA CCCn1cc(CNc2cc(C(=O)N3CCCCC3)ccn2)cn1 1704340191 XBJVJHDCXYXXLY-UHFFFAOYSA-N 327.432 2.926 0 50 EFAA COCc1nnc(N2CCCN(c3nc4ccccc4s3)CC2)o1 1772712409 MGCFVYWBMIEBTL-UHFFFAOYSA-N 345.428 2.542 0 50 EFAA COc1ccc(OC)c(NC(=S)NC(=O)COc2ccccc2)c1 5550082 HXQIVGSYYUGWSY-UHFFFAOYSA-N 346.408 2.596 0 50 EFAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C=C/C(C)C)CC2 12035640 DULDTWOTUWZLSO-DKRLNXSXSA-N 347.507 2.572 0 50 EFAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3ncc[nH]3)C2)cc1 12445170 ARZGPIJBIHJYPL-GOSISDBHSA-N 342.487 2.805 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(OC)c1 19790186 QRVMAOXZMBXIPZ-UHFFFAOYSA-N 346.452 2.723 0 50 EFAA CNC(=O)CCc1ccc(-n2ccnc2-c2ccnc(OC)c2)cc1 1857699072 GUZZNVFZFKELRU-UHFFFAOYSA-N 336.395 2.622 0 50 EFAA O=C(c1cc[nH]c1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857709616 IHQOCQGCLOTSHT-LJQANCHMSA-N 338.411 2.508 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccccc4Cl)[C@@H]2CC(=O)N13 1857740123 IYOMFLCLKBOHFJ-JZXOWHBKSA-N 334.847 2.898 0 50 EFAA CCOC(=O)[C@@H]1CCN(C(=O)c2nc(C)oc2C)c2ccccc21 410793339 QSWLCTFEDDPPNK-CQSZACIVSA-N 328.368 2.989 0 50 EFAA Cn1cc(CC(=O)N2C[C@H](c3ccccc3Cl)OCC2(C)C)cn1 110513640 WBIHBCNKMUGRMV-MRXNPFEDSA-N 347.846 2.995 0 50 EFAA CC[C@H]1COCCN1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 115813619 GJWGEXVRXRRNCA-HNNXBMFYSA-N 348.443 2.556 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCc1ccccc1OC(F)(F)F 237472610 CFJZBHYJUPVTBJ-YPMHNXCESA-N 330.350 2.856 0 50 EFAA C[C@]1(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC(=O)N1 457194147 RMFLYASPAMKMKP-CYBMUJFWSA-N 334.725 2.757 0 50 EFAA c1ccc(-c2nc([C@H]3CCCN(Cc4cnn5c4CCC5)C3)n[nH]2)cc1 668166930 MUKJPOJTFYOVTR-INIZCTEOSA-N 348.454 2.994 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 253394961 CRDZAZJDOTYWKM-LBPRGKRZSA-N 348.447 2.680 0 50 EFAA C[C@H](CCc1cccn1C)NC(=O)c1ccncc1Br 157209171 KCMSSAJKQMVSIW-LLVKDONJSA-N 336.233 2.934 0 50 EFAA C[C@@H](NC(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1)C(=O)O 262899064 INIVXHZNBPGFOF-GFCCVEGCSA-N 330.384 2.719 0 50 EFAA COc1ccc([C@@H](NC(=O)C2CCC(F)(F)CC2)C(=O)O)cc1 262988682 SFHFNTVUBMCPQQ-CYBMUJFWSA-N 327.327 2.763 0 50 EFAA O=C(O)[C@@H](c1ccsc1)N1CCn2c(cnc2C(F)(F)F)C1 903915575 BCNXCUFSORRXNL-SNVBAGLBSA-N 331.319 2.605 0 50 EFAA Cc1cccc([C@H]2CCCCN2C(=O)Cn2ccc(C(=O)O)n2)c1C 908832372 BFUKZBSGORFZKA-QGZVFWFLSA-N 341.411 2.952 0 50 EFAA O=C(Cn1cc(C(=O)O)c2ccccc21)NCc1cc(C2CC2)no1 910545237 QKEIQALFKXQDAB-UHFFFAOYSA-N 339.351 2.521 0 50 EFAA CCOc1cccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)c1 952889999 KTBYVDSFHRCSPS-HNNXBMFYSA-N 343.383 2.874 0 50 EFAA COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C(=O)O)ccc2C)cc1 1875272644 BRWYRXWJFCUUHE-QGZVFWFLSA-N 343.379 2.507 0 50 EFAA Cc1sc(C(=O)O)cc1C(=O)NC[C@@H]1CCCc2cccnc21 1875286087 FMNXBUVKKJQGRQ-LBPRGKRZSA-N 330.409 3.000 0 50 EFAA CC(C)(C)Oc1ccc(C(=O)N[C@]2(CO)CC3CCC2CC3)nc1 1875357760 VTXYEYKOYRYQNJ-MHVYXZCWSA-N 332.444 2.930 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](CC)c2cnn(CC)c2)cc1 1875371744 KUGDGWGUEHJGKU-QGZVFWFLSA-N 340.427 2.933 0 50 EFAA O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CC(C2CCOCC2)=NO1 1875301010 ZXEITFJICYXQBB-SJLPKXTDSA-N 346.402 2.891 0 50 EFAA CCc1nc2ccccc2n1CC(=O)N[C@@H](c1cnn(C)c1)C(C)C 885424054 JPMBVMDUTFAGRD-LJQANCHMSA-N 339.443 2.846 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccncc2C)cn1 886094190 SAAWPXGQGFGDGP-WMLDXEAASA-N 328.416 2.504 0 50 EFAA Cc1cc(C)cc(OCCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 1775961086 KTPHYEFFEVRBOR-CQSZACIVSA-N 328.416 2.511 0 50 EFAA CCc1c[nH]c2ncnc(N3CCN([C@H](C)c4ccccn4)CC3)c12 1775994535 CIHYTNCLPLSZLP-CQSZACIVSA-N 336.443 2.799 0 50 EFAA C[C@H](NC1CCN(CCNC(=O)OC(C)(C)C)CC1)c1ccccn1 892430601 GRXCKECZHZADFS-HNNXBMFYSA-N 348.491 2.721 0 50 EFAA CC[C@](C)(CNC(=O)[C@H]1[C@@H](C2CC2)[C@H]1C)NC(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 2325758380 ODWIQDLZJLZHIJ-WPNHHESCSA-N 346.515 2.972 0 50 EFAA O=S(=O)(CCOCc1ccccc1)N[C@H]1CCCc2ncccc21 2325782799 HNJWNTXTBXFVJQ-SFHVURJKSA-N 346.452 2.595 0 50 EFAA Cc1ccn2c(C(=O)N3CCCN[C@H](c4ccccc4)C3)cnc2c1 2325783297 LYYOJXBACUYYSF-KRWDZBQOSA-N 334.423 2.820 0 50 EFAA COC(=O)c1[nH]c2ccccc2c1CN[C@@H]1CCc2c(n[nH]c2C)C1 2325788778 CRTNVCCNBRMIRJ-GFCCVEGCSA-N 338.411 2.633 0 50 EFAA CN1CC[C@@H](CNC(=O)c2ccc(-n3ncc4ccccc43)cc2)C1 2325789809 OPDGEZCNKWTMJM-HNNXBMFYSA-N 334.423 2.707 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 247752446 UILZAEGPSGMPFM-ICCXJUOJSA-N 341.238 2.821 0 50 EFAA CC(C)[C@H](C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 84608 SWKSXVHIGQYKLO-MRXNPFEDSA-N 328.412 2.756 0 50 EFAA Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 421367 NKWCLJTVDZTVME-UHFFFAOYSA-N 330.335 2.873 0 50 EFAA COC(=O)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(C)C 2865060 VCLQWHJGLWMXDF-CYBMUJFWSA-N 334.199 2.686 0 50 EFAA C[C@@H](NC(=S)N1CCC(C(N)=O)CC1)C12CC3CC(CC(C3)C1)C2 4693956 KJMXZQDLDLKBFA-XUXNNNHQSA-N 349.544 2.663 0 50 EFAA CCOc1ccc(C(=O)CCN[C@H](Cc2ccccc2)C(=O)O)cc1 4803462 XRLSZTFTNPVHOJ-GOSISDBHSA-N 341.407 2.944 0 50 EFAA CC[C@H](CO)NCc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 4840497 DTLJXMDJHIJUFG-MSOLQXFVSA-N 345.439 2.668 0 50 EFAA C[C@@H]1OCC[C@@H]1S[C@@H](C(N)=O)c1cccc(Br)c1 221691406 LMZMVCDJZLQZKV-KPXOXKRLSA-N 330.247 2.886 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)NC[C@H]3CSCCS3)cc12 225421642 DOPRCUCWMUNYOS-VIFPVBQESA-N 340.445 2.894 0 50 EFAA CC[C@@H](O)CN1CCN(C(=O)N2c3ccccc3CC[C@H]2CC)CC1 225646126 PDDYUYUQHZRTPR-QZTJIDSGSA-N 345.487 2.726 0 50 EFAA O[C@H](CN1CCN(c2nc3cc(F)ccc3o2)CC1)c1ccccc1 114449605 IPUNFLULJOFUKL-QGZVFWFLSA-N 341.386 2.823 0 50 EFAA Cc1cccc2sc(NC(=O)c3sccc3-n3cnnn3)nc12 344838125 NHMTZKGUVXCHBO-UHFFFAOYSA-N 342.409 2.894 0 50 EFAA C[C@@H]1CCCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)C1 67620881 VKWAPUDNMAQGIQ-LLVKDONJSA-N 344.864 2.608 0 50 EFAA COc1cc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)ncn1 67982086 YNDGOARHSONWQG-GOSISDBHSA-N 349.381 2.585 0 50 EFAA COC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)c1ccnn1C 65435960 SEVLVIPHMQTJMM-CQSZACIVSA-N 344.802 2.739 0 50 EFAA CCCn1ncc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)c1C 65530448 LEPZNMMWIQYUCW-UHFFFAOYSA-N 330.432 2.894 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)c1ccccc1F 229558057 XLHWOVRNIBVICL-KZNAEPCWSA-N 334.435 2.725 0 50 EFAA 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CN(C)c1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cn1 72163082 YMSAYJDESUDQNO-UHFFFAOYSA-N 342.462 2.995 0 50 EFAA C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@@]2(CCCOC2)O1 253432198 WUBSKOKRGZYYPN-MEDUHNTESA-N 326.343 2.767 0 50 EFAA CCNS(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 253430229 XZTPUZIVDRZUAD-UHFFFAOYSA-N 334.363 2.649 0 50 EFAA CCOCCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 75533723 JNRCJLIIQSDFRO-OAHLLOKOSA-N 343.427 2.845 0 50 EFAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC(C)(C)[C@@H]1C 357900616 CQZMQQJWRMQLOR-AWEZNQCLSA-N 343.427 2.911 0 50 EFAA COc1cc(CN(C(=O)C[C@@H]2CCCC[C@H]2O)C2CC2)ccc1O 281302235 RMRUPJORJUHUOS-GOEBONIOSA-N 333.428 2.833 0 50 EFAA OC[C@H]1CCCN(C2CCN(c3nccc(C4CCCC4)n3)CC2)C1 71763601 LZCZKFYCXCMLQY-INIZCTEOSA-N 344.503 2.807 0 50 EFAA C[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c2ccccc2O1 333127138 HIXFHIJENQKFAF-CHWSQXEVSA-N 347.440 2.757 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2N=c2nc(C3CCCCC3)[nH]s2)cn1 333401147 FQUPLDMQXXDYKE-KGLIPLIRSA-N 333.461 2.683 0 50 EFAA 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Cc1nc([C@@H](C)NC(=O)N2CCC3(CC2)COC(=O)O3)c(C)s1 426372283 PPXMIQYJYJKEOG-SECBINFHSA-N 339.417 2.532 0 50 EFAA CN(Cc1cc(Br)cn1C)C(=O)[C@H]1Cc2ccccc2O1 177186879 RLPQRHIUJXYNIN-OAHLLOKOSA-N 349.228 2.750 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1c(C)nc2ccccc21 177149652 JWQHQWJOINFJHZ-INIZCTEOSA-N 337.427 2.541 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cn3)cc2)C1 426518669 DNELVBGCXMZRRW-CQSZACIVSA-N 343.814 2.740 0 50 EFAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc([S@@](C)=O)c1 290759006 HZWYSYLYZYGVMI-HSZRJFAPSA-N 345.346 2.586 0 50 EFAA CCN(C(=O)c1cc(N2CCOCC2)ccn1)[C@H](C)c1cccnc1 131035814 BCNUORXTDKKGNI-OAHLLOKOSA-N 340.427 2.537 0 50 EFAA Cc1ccc(CN2CCN(C(=O)NCc3ccco3)[C@@H](C)C2=O)cc1 426551727 AZYGDQKGUXYOTL-HNNXBMFYSA-N 341.411 2.531 0 50 EFAA NCCOc1cccc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1 426490239 RRWHLDBEMOKSTO-UHFFFAOYSA-N 332.350 2.721 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@H]2c2cc(C)on2)c1C 223789522 FDYQSBZJHGIDEU-INIZCTEOSA-N 344.415 2.753 0 50 EFAA CCCC[C@H](CC(=O)O)NC(=O)N(C)Cc1nc2ccccc2[nH]1 426477898 KMGRJEPLVBPBEG-GFCCVEGCSA-N 332.404 2.738 0 50 EFAA COC(=O)CCC(=O)NC(C)(C)c1ccccc1Br 179006671 OIWYUESCWFUMAI-UHFFFAOYSA-N 328.206 2.754 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)NCc2cc(C3CC3)n[nH]2)s1 426511581 FUSKTVOJUHNTLG-UHFFFAOYSA-N 348.472 2.751 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@@](CO)(CCOC)C2)cs1 91616411 VRGVHRJXNZTPFD-QGZVFWFLSA-N 325.474 2.952 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(c2cncc(N(C)C)n2)C1 95362242 CLOYJVCBKTVLKD-OAHLLOKOSA-N 328.464 2.923 0 50 EFAA O=C(O)c1ccc(OC2CN(c3nccc(-c4ccccn4)n3)C2)cc1 97179381 PCHJHEXNWUALJI-UHFFFAOYSA-N 348.362 2.504 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@H](c1cccnc1)N1CCCC1 97272418 NFUGQBQLUIRDMI-INIZCTEOSA-N 345.472 2.510 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c(=O)[nH]c1C 91551664 WRVVFOKBKVRXNE-ZDUSSCGKSA-N 344.436 2.788 0 50 EFAA CC[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nc(C)c(C)s1 95363010 ARSSHEFGCLLXNW-HNNXBMFYSA-N 349.500 2.976 0 50 EFAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)c1 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0 50 EFAA CCC1=NO[C@@H](C(=O)NCc2csc(Cc3ccccc3)n2)C1 299795872 LZNAOYSCSINZAM-OAHLLOKOSA-N 329.425 2.905 0 50 EFAA COc1ccc(-c2n[nH]cc2CNC(=O)CSCC2CC2)cc1 299785397 YXHGZKTYPYFJKH-UHFFFAOYSA-N 331.441 2.845 0 50 EFAA CCCn1cc(NC(=O)N2CCCN(c3ccccc3C)CC2)nn1 299767384 GJNNFNNDJYTZGV-UHFFFAOYSA-N 342.447 2.741 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)COCC(F)(F)F)cc1F 299234339 SZKDLHFVZDQFAQ-UHFFFAOYSA-N 345.296 2.515 0 50 EFAA CC[C@H]1CCCCN1CC(=O)Nc1ccccc1CN1CCOCC1 822718117 ARFCTJRHEMHTCB-SFHVURJKSA-N 345.487 2.722 0 50 EFAA C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1-n1cccn1 822273982 WEQPZXRWKOWJQY-HNNXBMFYSA-N 348.472 2.644 0 50 EFAA Cc1cc(S(=O)(=O)N(C)Cc2c[nH]nc2C)c(Cl)cc1F 918681390 JSGZVVICAMPXFV-UHFFFAOYSA-N 331.800 2.640 0 50 EFAA CCn1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1=O 240454720 FYHIKDKGUPDYFX-DOTOQJQBSA-N 326.444 2.728 0 50 EFAA CC[C@H](C)c1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952981590 SMMFPIPDLNMCKR-XEIOYGOASA-N 328.456 2.788 0 50 EFAA COCCN(Cc1cc2ccccc2n(C)c1=O)CC(F)(F)F 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CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)o1 353221881 FXJHYUZJZDMHQT-HOCLYGCPSA-N 331.368 2.996 0 50 EFAA O=C(O)c1cccc(N2CCC[C@@](CO)(Cc3ccccc3)C2)n1 263414924 NPJWAGSLSFURGM-LJQANCHMSA-N 326.396 2.601 0 50 EFAA Cc1cc(=O)c(-c2noc(Cc3ccn(C(C)C)n3)n2)c2n1CCC2 904071739 YOFDCGSWQQCLJN-UHFFFAOYSA-N 339.399 2.521 0 50 EFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907948240 KSHNTYWTEODDEZ-FTYOSLGDSA-N 331.290 2.836 0 50 EFAA C[C@H](CNC(=O)c1cnn(C)c1Cl)c1nc(-c2ccccc2)no1 827484362 VVCLKFBXCKNPSR-SNVBAGLBSA-N 345.790 2.657 0 50 EFAA OC[C@@H]1CCCN1c1ccnc(-c2ccc(Br)cc2)n1 929084820 NMKQALCFZXTKHY-ZDUSSCGKSA-N 334.217 2.867 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)c2cccc(O)c2)cc(C)c1OCC(=O)O 832862725 GZDJKQKWTHVHLS-ZDUSSCGKSA-N 343.379 2.963 0 50 EFAA Cc1csc(=O)n1CCN1CCC[C@@H](c2c[nH]c3ncccc23)C1 931365645 MHESXFRMAQBLHH-CQSZACIVSA-N 342.468 2.974 0 50 EFAA Cc1nc([C@H]2CN(C(=O)c3ccsc3C(F)F)CCO2)no1 935291146 AHQZNRBWMUZFTA-SECBINFHSA-N 329.328 2.591 0 50 EFAA O=C(O[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1c(Cl)n[nH]c1C1CC1 869905154 JZSUEMFNVVLKKR-OUAUKWLOSA-N 337.807 2.545 0 50 EFAA Cc1cccc(CS(=O)(=O)NC[C@@H]2COCc3ccccc32)c1 1875299555 OOVVVVODBFHWRI-QGZVFWFLSA-N 331.437 2.728 0 50 EFAA COC(=O)c1[nH]nc(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)c1Cl 1775985224 UICQFFVVDUJDJC-MGPLVRAMSA-N 333.775 2.766 0 50 EFAA O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)NCC1CC1 291480879 QXVUPPBEXUZKLY-UHFFFAOYSA-N 341.499 2.501 0 50 EFAA COC(=O)c1ccc(NC(=O)c2sc3ncccc3c2N)cc1 9295584 IYJURWZRJOJYLG-UHFFFAOYSA-N 327.365 2.917 0 50 EFAA CCC[C@H](C(=O)N[C@H](C)c1ncon1)n1sc2ccccc2c1=O 2325784819 LVGMDGSJSKKTKS-ZYHUDNBSSA-N 346.412 2.665 0 50 EFAA Cc1ccc(-c2nn(C)cc2CN2C[C@H](CC(=O)O)C(C)(C)C2)o1 2325787930 CIOXZTBDAVOHDZ-AWEZNQCLSA-N 331.416 2.921 0 50 EFAA O=C(Nc1ccc(CN2CCCCC2)cn1)c1cccc2ccnn12 2325803215 YHMQPAUOLOQUDS-UHFFFAOYSA-N 335.411 2.968 0 50 EFAA COC[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 2325805691 GREKAYCAPGHJJX-QYZOEREBSA-N 330.472 2.782 0 50 EFAA O=C(NC[C@H]1NCCc2ccccc21)c1cc(Cc2ccccc2)[nH]n1 2325858756 ZKIVPXINCRPQOZ-HXUWFJFHSA-N 346.434 2.617 0 50 EFAA O=C(N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C12C3C4C5C3C1C5C42 2332238130 ATWOMVIBNMYEHP-UHFFFAOYSA-N 349.356 2.502 0 50 EFAA C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCC[C@H]1C 245228070 AZRWZNKJLDSBFB-ATLSCFEFSA-N 328.456 2.976 0 50 EFAA O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 309158 CZLGVCGMOGITQB-UHFFFAOYSA-N 344.436 2.726 0 50 EFAA Cc1nc(COc2ccc(NC(=O)c3ccc(C(=O)O)o3)cc2)no1 347373128 QQIQEVYOKUMESV-UHFFFAOYSA-N 343.295 2.501 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 2505911 MKAVLHXWVHLJHJ-UHFFFAOYSA-N 344.396 2.815 0 50 EFAA O=C(CSc1ccccc1C(=O)O)NCCOc1ccccc1 2924492 WHQCLWBKMVHUML-UHFFFAOYSA-N 331.393 2.672 0 50 EFAA CCOC(=O)C(=CNc1cccc(Br)c1)C(=O)OCC 2950083 VMUXYLRAWWSESX-UHFFFAOYSA-N 342.189 2.871 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1 2843242 MPXCHMNKTCTBCQ-AWEZNQCLSA-N 338.473 2.501 0 50 EFAA COc1cc(S(=O)(=O)NCCc2ccccc2)c(OC)cc1C 6702322 QOWJDARLILPWJO-UHFFFAOYSA-N 335.425 2.533 0 50 EFAA COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCCC[C@@H]2C)CC1=O 9342063 XFMDYOUHMGEGOO-GJZGRUSLSA-N 330.428 2.758 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225584963 WJUOVOVAIHZOEC-HUUCEWRRSA-N 330.359 2.948 0 50 EFAA Cc1ccc(C)c(O[C@H](C)C(=O)NCC2(Cn3cccn3)CC2)c1 55196479 QSTUTZKEADQCGB-MRXNPFEDSA-N 327.428 2.864 0 50 EFAA C[C@@H]1CCC[C@@H](OCC(=O)OCCOc2cncc(Cl)n2)C1 112759709 OGTYRQYNRUCARX-VXGBXAGGSA-N 328.796 2.647 0 50 EFAA O=C(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)NC[C@H]1CCCO1 246553364 KOZYZFVEJHRNRB-VQIMIIECSA-N 341.455 2.990 0 50 EFAA Cc1ncc(CO)c(CN2CCC([C@@H](O)c3cccs3)CC2)c1O 67587502 XZVBFNOTHXHMBI-GOSISDBHSA-N 348.468 2.595 0 50 EFAA CCOC(=O)C(Cc1ccc(Br)cc1)C(=O)OCC 22010220 XUINVWBCZQIJHR-UHFFFAOYSA-N 329.190 2.734 0 50 EFAA CC(C)Oc1cccc([C@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 117032532 LREZYYSOHHRBNE-YJBOKZPZSA-N 349.475 2.507 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnn1-c1ccccc1Cl 136141680 JZWANEBGDGVASV-GFCCVEGCSA-N 347.802 2.771 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348257102 IIJBGHZJDUZHTJ-BBRMVZONSA-N 343.333 2.789 0 50 EFAA Cc1cccc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(C)c3Cl)C2)c1 67850425 AABHHAZMPWWPES-CQSZACIVSA-N 346.862 2.932 0 50 EFAA O=C(O)c1cc(NS(=O)(=O)c2ccoc2)cc(C(F)(F)F)c1 349088464 ZBGTZPIEJIXNJP-UHFFFAOYSA-N 335.259 2.797 0 50 EFAA COc1ccc2[nH]c(=O)c(CN(C)CCC[C@@H]3CCCO3)cc2c1 67774201 LGLIWARDKNVONI-MRXNPFEDSA-N 330.428 2.928 0 50 EFAA CCOc1ccc(-c2nc(CN3CCN(C)C(=O)[C@@H]3C)c(C)o2)cc1 11873473 BFLUWZIDJYILCQ-ZDUSSCGKSA-N 343.427 2.711 0 50 EFAA CSCCN1CCN(Cc2cc(C)ccc2-n2cccn2)CC1 215223330 QGAZAYXXHQRTPE-UHFFFAOYSA-N 330.501 2.661 0 50 EFAA Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nncn3C)cs2)o1 120129516 TWZFIKIKIIPZMW-GFCCVEGCSA-N 343.412 2.817 0 50 EFAA CN(Cc1ncc[nH]1)c1nc(-c2c[nH]c3ccccc23)nc2c1CNC2 72153820 JACTUAZRPNYQPD-UHFFFAOYSA-N 345.410 2.588 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 230134101 RDMBEEZVCWHZPM-UWWQBHOKSA-N 333.451 2.882 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3n[nH]c4ccccc34)CC2)ccn1 77440111 RHHRYRGYWGHPKI-UHFFFAOYSA-N 335.411 2.619 0 50 EFAA CCc1ccc([C@H](CNS(=O)(=O)CCC2CCC2)N(C)C)cc1 253427941 HEDILMGCAPVTRO-SFHVURJKSA-N 338.517 2.961 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cc(C)ccc2C)C1 219598831 JWSUKIGWUDQSHU-IBGZPJMESA-N 333.428 2.576 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2C)C1 123171008 PNIDWALQBQULEI-MRXNPFEDSA-N 345.491 2.938 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 155502696 OLTGEACJHSARKX-YVEFUNNKSA-N 344.484 2.959 0 50 EFAA CCN(CCOC)c1cccc(CS(=O)(=O)c2ccc(C)cc2)n1 436692561 YVFRUNMIJSPMMO-UHFFFAOYSA-N 348.468 2.837 0 50 EFAA CC[C@H](COC)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 129567708 UCAJWTUUCCQHDM-MRXNPFEDSA-N 337.439 2.514 0 50 EFAA Cn1nccc1-c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 61717853 SYCJFPUJWPEFAU-UHFFFAOYSA-N 330.804 2.831 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCn3ccnc3)C2)cc1 77457684 UKWDQIQHEAIBEB-QGZVFWFLSA-N 327.428 2.899 0 50 EFAA COC[C@H]1CCCCN(C(=O)c2ccccc2OCCN(C)C)C1 372043918 PLBGKGXRIKMHNH-INIZCTEOSA-N 334.460 2.516 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H](C)c1c(C)nn(C)c1C 262945252 ICDKCGPHMLHILF-NSHDSACASA-N 345.399 2.551 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77565629 ATAXPOPCPHSPEN-MRXNPFEDSA-N 347.422 2.976 0 50 EFAA Cc1cc2cc(C(=O)NC[C@@H](C(=O)O)C3CCOCC3)oc2cc1C 262833721 BMKRJBQYWUFPMS-OAHLLOKOSA-N 345.395 2.907 0 50 EFAA Cc1ccccc1[C@H](C)CC(=O)N(CCC(=O)O)C1CCOCC1 237512550 FYGCBHUOMXMFKN-OAHLLOKOSA-N 333.428 2.971 0 50 EFAA COC[C@@]1(C(=O)O)CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 263085155 SHCGFDSAJJQJKL-LJQANCHMSA-N 347.411 2.571 0 50 EFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2cccnc2Cl)C1 20274791 NTQQWNAIFARSJE-CQSZACIVSA-N 331.759 2.875 0 50 EFAA COc1cc2[nH]c(O)nc2cc1NC(=O)N(C)C1CCSCC1 426490722 PPPILYNVBVVMQK-UHFFFAOYSA-N 336.417 2.636 0 50 EFAA COC[C@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccc(C)o1 175676791 GKMAKRFSNYPFCY-HOTGVXAUSA-N 346.431 2.827 0 50 EFAA CCOc1ncccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 177768323 LDUSHMZBSGHWEV-CQSZACIVSA-N 328.372 2.561 0 50 EFAA COc1ccccc1-c1ncc(CN(C)[C@@H](C)C(=O)N(C)C)s1 222321639 POKSLKCUSTWLBB-LBPRGKRZSA-N 333.457 2.727 0 50 EFAA CC(C)C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1ncnn1C 91877059 MCRKQHXEKAGRTC-INIZCTEOSA-N 338.415 2.722 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)N(C)Cc1cccc2cnccc12 426527673 FIFHSFGRDLWDNF-QGZVFWFLSA-N 326.444 2.861 0 50 EFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(CCC(F)(F)F)C[C@H]21 95529580 LNZJNMQJIDLKKT-IUODEOHRSA-N 345.317 2.510 0 50 EFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)Cc3ccon3)CC2=O)cc1 91381081 BTZNQHXGLZCREN-HNNXBMFYSA-N 341.411 2.810 0 50 EFAA COC(=O)c1ccc(OC)c(NC(=O)N(C)[C@@H](C)c2ccon2)c1 95516737 ZIMNZZSIQWOFRE-JTQLQIEISA-N 333.344 2.695 0 50 EFAA Cc1nc(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)sc1C 91625055 FYCMZXZULMCYIN-CYBMUJFWSA-N 347.415 2.684 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 239439214 ZOZLGGUSQQPSPN-FPMFFAJLSA-N 335.400 2.772 0 50 EFAA Cc1cccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1O 94080159 PTNOVIQKSIOUNF-INIZCTEOSA-N 326.396 2.917 0 50 EFAA Cc1nc2c(c(N(C)C[C@@H]3CCN(C)C3)n1)Cc1ccccc1OC2 97402552 FTKQAAFWILCRBV-OAHLLOKOSA-N 338.455 2.656 0 50 EFAA CCc1ccc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(CO)C2)o1 95360086 OWDSTCUFFOTORH-UYAOXDASSA-N 343.423 2.821 0 50 EFAA O=C(N[C@H]1CCc2ccccc2C1)c1cnc(-c2cccnc2)nc1 95382171 VTQHNSJNVIWMOZ-SFHVURJKSA-N 330.391 2.826 0 50 EFAA Cc1cc(N)n(CC(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)n1 244787929 QGLNPYMTJNQFDG-UHFFFAOYSA-N 341.415 2.529 0 50 EFAA O[C@H]1C[C@@H](c2cc(NCCOCc3ccc(Cl)cc3)ncn2)C1 244816776 SODGVQKPEBWXNP-OTVXOJSOSA-N 333.819 2.997 0 50 EFAA COc1ccc(C(C)(C)C(=O)N[C@@H]2COc3ccccc3C2=O)cc1 181573179 MMTBNYCFSTUCHB-MRXNPFEDSA-N 339.391 2.733 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)CCC(=O)N(C)Cc1ccccc1 252500743 TUVVFILDMWVDBJ-UHFFFAOYSA-N 328.460 2.550 0 50 EFAA CCOc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)ccc1OC 183071429 XHKIDJXWLXVQNX-ZDUSSCGKSA-N 345.403 2.971 0 50 EFAA CN(C1CCCCC1)[C@@H](c1cnn(C)c1)c1sc2ncnn2c1O 252496448 PIOJHDBLIDFFPP-ZDUSSCGKSA-N 346.460 2.584 0 50 EFAA CCn1cc(CNC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c(C)n1 534641486 BSLCMCBSYMDMDQ-AWEZNQCLSA-N 329.448 2.687 0 50 EFAA Cc1csc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 299769317 WOAPCKOTXWPEKX-GFCCVEGCSA-N 348.424 2.697 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1cccn1 952970302 RBGLLLWDAJARRG-SFHVURJKSA-N 342.443 2.946 0 50 EFAA Cc1nnsc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565516007 UEQNEMRNBURKFR-SJORKVTESA-N 328.485 2.943 0 50 EFAA CCCCN(C(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCCC[C@H]1OC 408520659 QUWMOMNQARCOFD-IAGOWNOFSA-N 332.444 2.985 0 50 EFAA Fc1c(F)c(F)c(CN2CCOC3(CCOCC3)C2)c(F)c1F 408513384 FPXSRRWIAMBXJP-UHFFFAOYSA-N 337.288 2.764 0 50 EFAA CSc1cc(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)ccn1 390834559 DAKPQKITEBYQDH-UHFFFAOYSA-N 345.424 2.942 0 50 EFAA CN1CC=C(CNC(=O)NCc2ccccc2Br)CC1 272102902 OZIZJFQCCYVPBO-UHFFFAOYSA-N 338.249 2.510 0 50 EFAA Cc1nn(C)c(C)c1CC(=O)NC(C)(C)c1nc2ccccc2n1C 186794363 ANINOBJQQRSEDC-UHFFFAOYSA-N 339.443 2.518 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc(C)n(C(C)C)c2C)o1 275388705 PIOTWOZPGMERAH-HNNXBMFYSA-N 332.404 2.591 0 50 EFAA COCCOc1ccc(CC(=O)Nc2sccc2C(=O)OC)cc1 277070215 SMIHJFPUENRECC-UHFFFAOYSA-N 349.408 2.741 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3ccc([S@](C)=O)cc3)cc2c1 189411400 LGLWSHDVBMNKAE-DEOSSOPVSA-N 342.420 2.844 0 50 EFAA CC(C)N(CCc1nccs1)C(=O)c1ccn(CC(F)F)n1 194407169 MAXRWQBGCZHAHH-UHFFFAOYSA-N 328.388 2.698 0 50 EFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 194599886 RFOMSWGEXLJXRY-OAHLLOKOSA-N 336.863 2.833 0 50 EFAA Cc1cnc(CCNC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)s1 195571390 GFOWIODUJFQRQO-OCCSQVGLSA-N 325.478 2.744 0 50 EFAA COc1ncc(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)cn1 1506407439 OGJGPBJCTCNNLS-GOSISDBHSA-N 339.439 2.899 0 50 EFAA COc1cc(OC)nc(NC[C@@H](c2cccnc2)N2CCCCC2)n1 1506415336 AUZLBUOHMGKKQO-HNNXBMFYSA-N 343.431 2.528 0 50 EFAA Cn1cccc1/C=C1/C(=O)NC(=O)N(c2ccc3ccccc3c2)C1=O 313078 WFTOWAUJOZPGIJ-ATVHPVEESA-N 345.358 2.845 0 50 EFAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)s1 11955096 APGGIBFMOIABNG-AWEZNQCLSA-N 334.485 2.896 0 50 EFAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 12381235 PDKNKEWVARFIDA-UHFFFAOYSA-N 328.456 2.856 0 50 EFAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)c2cnsn2)C1 12572413 VFLDPOWWHVJOKW-SECBINFHSA-N 337.351 2.551 0 50 EFAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 14429403 FHDWFKMNQCORDY-ZIAGYGMSSA-N 332.787 2.620 0 50 EFAA CN1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 19973663 OAIUZFIBTGAQCF-UHFFFAOYSA-N 325.412 2.665 0 50 EFAA Cc1c(C(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)[nH]c2ccc(Cl)cc12 1857711053 YSFNGUBISAUNIH-HONMWMINSA-N 347.846 2.721 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Nc3cccc(Cl)c3)C[C@]23CC[C@H]1O3 1857730696 YYEXFXHCYBJPEV-BVIKNXMNSA-N 349.862 2.913 0 50 EFAA CN(C)C(=O)Cc1ccc(N[C@H]2CCCN(CC(C)(C)C)C2=O)cc1 330890388 HFGGQRMVUXVDPH-KRWDZBQOSA-N 345.487 2.766 0 50 EFAA CCc1nnc(NCc2ccc(C)nc2N2CCCC2)nc1CC 302809681 YGXQKIZMZXMOCT-UHFFFAOYSA-N 326.448 2.912 0 50 EFAA C[C@]1(O)CCN(C(=O)c2cnn3ccccc23)C[C@H]1Cc1ccccc1 216935022 QKGIRWJEIMOKCG-UTKZUKDTSA-N 349.434 2.790 0 50 EFAA C[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CS(C)(=O)=O)o2)C1 229344535 RUXURQJHIQODTG-IPYPFGDCSA-N 339.457 2.865 0 50 EFAA CS[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)C1 229933218 CDOQBMZPEDYPAD-QJPTWQEYSA-N 339.427 2.549 0 50 EFAA C[C@@H](c1ncc(Br)cn1)N1CC[C@H](Oc2ccccn2)C1 331405526 BQBTWCMYJYNQOQ-AAEUAGOBSA-N 349.232 2.848 0 50 EFAA Cc1ccc(Br)cc1-c1noc([C@@H]2CN(C)CCO2)n1 331677037 OZCBULGLGRQKLK-LBPRGKRZSA-N 338.205 2.811 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 237655265 GZKJMUFBYMYZBG-MRXNPFEDSA-N 334.759 2.932 0 50 EFAA Cc1ccoc1C(=O)N[C@H](C(=O)O)c1ccc(Br)cc1 362284706 JCPVODBGGMLYOK-NSHDSACASA-N 338.157 2.906 0 50 EFAA COCCC1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCCC1 152612674 AYGRSCFBDWBBNV-QFBILLFUSA-N 338.492 2.920 0 50 EFAA CNS(=O)(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)co1 161581084 BGEIEVOXCLKSFW-UHFFFAOYSA-N 339.760 2.558 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)CCc3ccco3)C2)no1 264064707 BLFQUMUTSZYYQN-DZGCQCFKSA-N 346.431 2.956 0 50 EFAA O=C(O)CC1(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 903944669 OFNDRQPIJIGLOG-SNVBAGLBSA-N 329.322 2.540 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccs3)C1)CC2 1704299941 VURXVDNSKHPITO-GOSISDBHSA-N 342.468 2.724 0 50 EFAA O=C(NCc1ncnn1-c1ccccc1)[C@]1(c2ccccc2)CCCO1 935692828 GPKRIMUJNQPWSB-HXUWFJFHSA-N 348.406 2.589 0 50 EFAA O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cncnc1C1CC1 836784883 JFHJGEGQAZCZJF-CQSZACIVSA-N 335.766 2.610 0 50 EFAA C[C@@H]1CCCC[C@H]1OCc1nnc(-c2ccc(-n3cnnn3)cc2)o1 952874710 GYSGTWRPXNEHOE-IUODEOHRSA-N 340.387 2.808 0 50 EFAA O=C(NCc1noc(-c2ccccc2F)n1)c1cnn(C2CCC2)c1 1875271678 SVZGHLYMJLSOBH-UHFFFAOYSA-N 341.346 2.727 0 50 EFAA COc1cc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)ccc1F 1875306578 LAORUGQZQQURGU-QWHCGFSZSA-N 330.359 2.584 0 50 EFAA C[C@@](NC(=O)N1CCn2cncc2C1)(c1ccccc1)C(F)(F)F 1771955105 JSCRKOSSBKPONA-OAHLLOKOSA-N 338.333 2.886 0 50 EFAA Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1 416154 NGWOVHJMMIUGSJ-UHFFFAOYSA-N 334.426 2.545 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccccc1 100117513 SQNDFISJBNVFTJ-CCKFTAQKSA-N 330.380 2.780 0 50 EFAA Nc1cc(=O)[nH]c(SCc2ccc(C(=O)c3ccccc3)cc2)n1 13452459 YXTKMDGATHWBMY-UHFFFAOYSA-N 337.404 2.875 0 50 EFAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(CC1CC1)CC2 14534737 PAPJRCSVYNVVDZ-UHFFFAOYSA-N 339.439 2.876 0 50 EFAA O[C@@H](CN1CCC[C@H]1Cc1cc2ccccc2o1)Cn1cccn1 2325790939 YYNMCOXGCHWSFB-IRXDYDNUSA-N 325.412 2.697 0 50 EFAA Cc1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 2325859894 OSVGJXIUZCEBPO-HNNXBMFYSA-N 348.406 2.941 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccco1 132098 GNKMXZISPALZLC-UHFFFAOYSA-N 343.364 2.728 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 249690706 KMHXOLDOBJADCR-JKSUJKDBSA-N 330.428 2.547 0 50 EFAA Cc1cccc(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)c1C 6699016 WYLWWVBBCWZWLQ-UHFFFAOYSA-N 332.835 2.653 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1F 7670140 QLCRFWTYOSRUPN-UHFFFAOYSA-N 336.388 2.637 0 50 EFAA COC[C@H](C)N(Cc1ccccc1OC)C(=O)CCn1ccnc1C 55060995 CFMNRGISEFMXHQ-HNNXBMFYSA-N 345.443 2.654 0 50 EFAA COC(=O)c1ccc(Cl)c(NC(=O)c2cncc(Cl)n2)c1 225697269 QPKZFZSGYWTUQO-UHFFFAOYSA-N 326.139 2.822 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CCOc2ccccc21 118238894 VHTPPXSEBOFZHI-LBPRGKRZSA-N 325.290 2.950 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1Cc1cccc(C(=O)N2CCCCC2)c1 246814365 CGEDLKAGOVNLSQ-PXNSSMCTSA-N 341.499 2.981 0 50 EFAA CCc1cnc(C)nc1N1CCC(N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)CC1 102685223 DQAWKQROBGKMIP-DZFIZOCASA-N 344.503 2.673 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCN(C/C=C/c2ccccc2)CC1 68275938 CFXZNPCFKYXLIT-QPJJXVBHSA-N 346.434 2.806 0 50 EFAA O=S(=O)(c1cc(F)c(F)cc1Br)N1CCCC1 118655890 OAGWZMJRTLFBCC-UHFFFAOYSA-N 326.162 2.512 0 50 EFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNC1CCCC1 67787502 ZGWPUEHCYLMLJJ-HXUWFJFHSA-N 330.472 2.505 0 50 EFAA O=C(c1ccccc1OC(F)F)N1CCC[C@@H](N2CCCC2=O)C1 111064671 SDOSFYUBSZHWJZ-GFCCVEGCSA-N 338.354 2.515 0 50 EFAA CCc1nc(C)c(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)o1 65500611 CMRHASYMJCMMIS-HNNXBMFYSA-N 329.400 2.762 0 50 EFAA Cc1cc2c(c(-c3ccc(C(=O)NCC(C)C)o3)c1)O[C@H](CN)C2 67675731 VWNVCQJMVIRXNQ-AWEZNQCLSA-N 328.412 2.903 0 50 EFAA CCCCc1nc(CN2CC[C@]3(CCCN(C)C3=O)C2)c(Cl)[nH]1 67856136 BBBSYIKRWNPSOE-QGZVFWFLSA-N 338.883 2.850 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2N(C)C2CCCCC2)n[nH]1 67589095 HECXTMWKXRVVGT-UHFFFAOYSA-N 327.432 2.812 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1ccc(NC2CC2)nc1 67872454 QYBZBAJMRRVCKP-UHFFFAOYSA-N 327.432 2.796 0 50 EFAA Cc1cccc(C)c1Oc1ncccc1CNc1cncc(C(N)=O)n1 67740985 IYOUOUZVLVMAHH-UHFFFAOYSA-N 349.394 2.992 0 50 EFAA Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCn1cccc1 409413236 GBTLMDNINXZMTM-UHFFFAOYSA-N 326.375 2.685 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3nccn3C)C2)c(C)c1 67884880 KQQKQNFAIXGWDB-QGZVFWFLSA-N 340.471 2.679 0 50 EFAA C[C@@H]1C[C@@H](N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C(=O)O1 229428176 WHTGRZXJVVQJTL-UXIGCNINSA-N 345.374 2.759 0 50 EFAA C[C@H]1CCc2[nH]nc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2C1 214986415 CSIXJOYLHSOQLR-LBPRGKRZSA-N 341.459 2.799 0 50 EFAA Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nncn3C)cs2)o1 120129668 TWZFIKIKIIPZMW-LBPRGKRZSA-N 343.412 2.817 0 50 EFAA Cc1nccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c1Cl 122388170 ZBTWUDPONKULOK-UHFFFAOYSA-N 336.823 2.520 0 50 EFAA O=S(=O)(Nc1ccccc1NCC(F)(F)F)N1CCCCC1 151957644 WPKJAFKUVXDIBO-UHFFFAOYSA-N 337.367 2.803 0 50 EFAA O=C(O)CC1(CNC(=O)CCc2cc(Cl)no2)CCCCC1 218303217 YRRWGAWALMPGLW-UHFFFAOYSA-N 328.796 2.802 0 50 EFAA Cn1cc(C[C@H]2CCN(C(=O)N[C@H]3CCc4cc(F)ccc43)C2)cn1 363352890 OYJCHYZOBCMHDF-ACJLOTCBSA-N 342.418 2.821 0 50 EFAA Cc1cc(CS(=O)(=O)N2CCCC[C@H]2Cc2ccccc2)on1 330132941 LSCPWFHEPWQBDU-INIZCTEOSA-N 334.441 2.910 0 50 EFAA CCSCc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2CC)no1 375220520 NACXYKIQNMTILO-CYBMUJFWSA-N 348.472 2.991 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)[C@H]1COc2ccccc21 364936783 RTKCCBCUTAQRDO-MLGOLLRUSA-N 325.364 2.608 0 50 EFAA OC[C@@H]1CN(Cc2cnc3[nH]ccnc2-3)C[C@H]1c1ccc(Cl)cc1 365614381 GNFCHLNVJDKUPV-HOCLYGCPSA-N 342.830 2.771 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCc2cccc(O)c21 155644322 CVYIXLMWOKYCRL-GFCCVEGCSA-N 327.428 2.901 0 50 EFAA CO[C@@H](C)c1cccc(NC(=O)NCc2nnc(S)n2C2CC2)c1 126274141 PEVHXNRFHWFLNJ-JTQLQIEISA-N 347.444 2.931 0 50 EFAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cnn4c3CCC4)C2)c1 450544166 MWEJTKSMVMCOCG-SFHVURJKSA-N 331.366 2.988 0 50 EFAA C[C@H](O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2F)CC1 332517538 KQERQIKYHRAQOV-LBPRGKRZSA-N 337.416 2.760 0 50 EFAA CCn1nnc(C)c1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 333673274 JGZWGXVNUFHVQZ-NSHDSACASA-N 330.354 2.801 0 50 EFAA CCNc1nc(C)c(C(=O)NCc2nc3cc(OC)ccc3o2)s1 223906928 CDHFQJDGGWAMLP-UHFFFAOYSA-N 346.412 2.963 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)c1csc(Cc2ccccc2)n1 85479544 FMLCICQFFYEDCZ-ZDUSSCGKSA-N 338.436 2.885 0 50 EFAA CC(=O)N[C@H](C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1)C(C)C 220599379 HCTCRMZDRKPYBZ-HNNXBMFYSA-N 348.834 2.507 0 50 EFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cc(C(N)=O)c[nH]1 287027533 QSKLNKHPGSKDDM-LRDDRELGSA-N 341.411 2.736 0 50 EFAA Cc1nccn1C[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 82098922 KIWVMEYDHUAQDW-GOSISDBHSA-N 336.443 2.748 0 50 EFAA O=C(N[C@H](CO)CN1CCCCC1)c1c(Cl)cccc1Cl 288394343 FRCDKPKJMBUQND-NSHDSACASA-N 331.243 2.570 0 50 EFAA O=C(NCCn1ccc2ccccc21)N1CCC[C@@H](c2ncc[nH]2)C1 426582907 VRNBHCSYTSDNDD-MRXNPFEDSA-N 337.427 2.954 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)NCCc1cccc(C)c1 426478194 XBTHWPRAXAMBBE-GOSISDBHSA-N 327.428 2.962 0 50 EFAA COCCN1CCC[C@@]2(CCN(c3nc4ccccc4s3)C2)C1=O 91808207 PCWOSVXIKSYEHD-SFHVURJKSA-N 345.468 2.762 0 50 EFAA COc1ccccc1CCCNC(=O)N1CC(N2CCCC[C@@H]2C)C1 426690299 NCUFGISDTYCJEX-INIZCTEOSA-N 345.487 2.896 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)NCCCc3cnn(C)n3)oc12 293778861 BBBHIUYFFYJBIO-UHFFFAOYSA-N 326.400 2.849 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 95376373 IZMLNABSLIBEPL-MRXNPFEDSA-N 347.507 2.666 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91860314 DPFYOSGQWHTARH-IBGZPJMESA-N 339.435 2.908 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1cc(-c2ccc(C)o2)[nH]n1 91468570 JFUNUNANERCFQN-UHFFFAOYSA-N 327.388 2.764 0 50 EFAA C[C@H](NS(C)(=O)=O)c1nc(C2CCCC2)nn1Cc1ccccc1 96167128 SUYQJKYTJMYELP-ZDUSSCGKSA-N 348.472 2.594 0 50 EFAA O=C(O)c1cccc(N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)n1 91411531 BENWRPHUDFAKRT-IBGZPJMESA-N 343.427 2.541 0 50 EFAA CCOc1ccc(C(C)=O)cc1NC(=O)NCCCn1ccnc1 95527943 SIZVUFVQZSAXGD-UHFFFAOYSA-N 330.388 2.696 0 50 EFAA CN(Cc1cnn2ccccc12)C1CCN(CCc2ccccn2)CC1 179697722 TYIZQSRNTRPMHM-UHFFFAOYSA-N 349.482 2.868 0 50 EFAA Cc1ccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nn1 91830750 MRBQYUHNGVZDQW-KRWDZBQOSA-N 334.427 2.809 0 50 EFAA C[C@@H](Cc1ccsc1)NC(=O)c1cnc(-c2ccccn2)nc1O 91425304 UTPGHMAJZMXQDO-NSHDSACASA-N 340.408 2.667 0 50 EFAA COc1coc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc1=O 294470304 WTTRYSAWZHHYHP-ZDUSSCGKSA-N 340.379 2.668 0 50 EFAA C[C@H](c1ccncn1)N(C)C(=O)NC(C)(C)CN1CCCCCC1 534592823 KVHLTGGCGPMLQU-OAHLLOKOSA-N 333.480 2.834 0 50 EFAA CCOc1ccc(Cl)cc1-c1cncc(C(=O)N2CCOCC2)n1 534642866 QABASEBUPAYPLG-UHFFFAOYSA-N 347.802 2.668 0 50 EFAA CNC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nc3ccccc3o2)c1 299799216 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2.915 0 50 EFAA Cc1ncc2n1C[C@@H](C(=O)NCCc1ncc(-c3ccccc3)[nH]1)CC2 1651657731 HYULYMKTNPRKPG-INIZCTEOSA-N 349.438 2.503 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCCc1ccccc1 1704305954 YBLBIHYDPCFPHB-UHFFFAOYSA-N 328.460 2.631 0 50 EFAA CC(C)CCn1c(=O)nc(O)c2ccc(-c3ccccc3O)nc21 1848443292 DQOYCSHAPDPBKL-UHFFFAOYSA-N 325.368 2.916 0 50 EFAA Cc1nc(C)c(C(=O)N2CCCN(C3CCSCC3)CC2)s1 1772819653 YEWLGXXHGGCPJP-UHFFFAOYSA-N 339.530 2.803 0 50 EFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccs1 11753447 DDFJLELQKOPJGK-GFCCVEGCSA-N 334.828 2.932 0 50 EFAA CCCCN(C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 14733255 FHJUGWCAEXSXGZ-OAHLLOKOSA-N 334.508 2.830 0 50 EFAA C[C@H]1CCc2sc3ncnc(NCCCN4CCOCC4)c3c2C1 19682069 SSGUCGMTSISLFR-ZDUSSCGKSA-N 346.500 2.950 0 50 EFAA COc1ccc(CCNc2ncc(C(=O)O)c(C(C)C)n2)cc1OC 169751233 VGPWASXIKPHSIR-UHFFFAOYSA-N 345.399 2.970 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc3nc(C)sc3c1)C2 1857676272 NJBKQZHFVBCIRG-QGZVFWFLSA-N 345.424 2.662 0 50 EFAA O=S(=O)(c1sccc1Cl)N1CCC(c2ccncn2)CC1 333925593 UTAZVCMAMDAZPY-UHFFFAOYSA-N 343.861 2.760 0 50 EFAA CCCC(O)(CCC)CC(=O)Nc1nnn(Cc2ccncc2)c1C 408518783 ZSTCKBYPBXUOMX-UHFFFAOYSA-N 345.447 2.690 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 237995515 MZVKSSWRXQWKNW-MRXNPFEDSA-N 327.384 2.732 0 50 EFAA CCc1cnccc1CNC(=O)N1CCOc2cccc(F)c2C1 338666433 GPPMJPXFMXFQIF-UHFFFAOYSA-N 329.375 2.887 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 247374559 HYAJAVKTLGHLFB-CVEARBPZSA-N 327.424 2.994 0 50 EFAA CC(C)C[C@H](C)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 252492602 MQGQRPVYEAQBHZ-NWDGAFQWSA-N 332.491 2.821 0 50 EFAA O=C(NCc1ccc(Cl)s1)N[C@H]1CCO[C@]2(CCOC2)C1 253422904 IDHFZHPWSSRVST-IINYFYTJSA-N 330.837 2.539 0 50 EFAA CC(C)COc1ncccc1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 369957766 CVOQGSVXRUHSMN-OAHLLOKOSA-N 342.443 2.555 0 50 EFAA Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)o1 158647496 MKVHKFBLRMNHLB-QGZVFWFLSA-N 340.423 2.860 0 50 EFAA Cc1cc(=O)n2nc(CN3CC[C@@H](c4ccccc4C)C3)sc2n1 263774261 XEFPUHLSZKBVMP-CQSZACIVSA-N 340.452 2.757 0 50 EFAA Cn1c(CCc2ccccc2)nnc1COC(=O)[C@@H]1Cc2ccccc21 835603582 IDFNTPBNCCEATI-GOSISDBHSA-N 347.418 2.983 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CSC[C@H]1CCCCO1 857938722 YVFBINSTXJGNHY-UKRRQHHQSA-N 348.468 2.658 0 50 EFAA O=C(O)COc1cccc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 864223664 ZMKQOUBGLNCPLH-CHWSQXEVSA-N 343.301 2.777 0 50 EFAA Cc1cc(F)cc2c1CN(C(=O)c1cccn(C3CC3)c1=O)CC2 868080938 IYOIVWBPWNTPNN-UHFFFAOYSA-N 326.371 2.829 0 50 EFAA c1ccc(-c2ccnc(C3CCN(C[C@]45CNC[C@@H]4C5)CC3)n2)cc1 952892259 MMWKCAOAFKZJEN-RXVVDRJESA-N 334.467 2.933 0 50 EFAA Cc1cc(COCC(=O)Nc2cc(C)c(Br)cn2)no1 1875276160 XQXPLJNDEWXULD-UHFFFAOYSA-N 340.177 2.604 0 50 EFAA CC(C)(F)c1cc(NS(=O)(=O)c2ccc3c(c2)COC3)no1 1875279718 AEAJOESCYGHVHB-UHFFFAOYSA-N 326.349 2.710 0 50 EFAA O=C(O)CCCCCNC(=O)c1cc(C(F)(F)F)nn1C1CC1 1875303768 MEWTUPQUVOKLBM-UHFFFAOYSA-N 333.310 2.612 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccncc2OC)cc1 1875373487 CJCLKOZEAAMCFX-ZDUSSCGKSA-N 339.395 2.730 0 50 EFAA COC(=O)c1ccc(OC)c(CS[C@H](C)[C@@H](C)C(=O)OC)c1 1875341387 QYGZBTVJZZDORX-GHMZBOCLSA-N 326.414 2.913 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1 1875368117 RKVMVVAMPMRHTQ-OAHLLOKOSA-N 339.399 2.605 0 50 EFAA CC(=O)N1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C(F)(F)F 886082016 UGPLGTFUSHIBIJ-KGLIPLIRSA-N 332.366 2.935 0 50 EFAA CCc1ncnc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)c1F 888078753 URTWOJUTKIIWHO-GWCFXTLKSA-N 333.367 2.628 0 50 EFAA O=C(N=S1(=O)CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 891367732 KYIYWVIAZSFNOG-NSHDSACASA-N 339.310 2.741 0 50 EFAA CCN1C(=O)CC[C@H](CN[C@@H]2CC=C(C)CC2)[C@H]1c1cnn(C)c1 1775957907 RYPAYNWFAIKCES-SUMDDJOVSA-N 330.476 2.808 0 50 EFAA CO[C@@](C)(CNC(=O)c1cc(C(=O)O)cnc1C)C1CCCCC1 2325788517 LYIOBHAYNAPFNP-SFHVURJKSA-N 334.416 2.803 0 50 EFAA Cc1c(C(=O)OCc2nnc(C(C)(C)C)s2)cnc2ccnn12 2325790888 SMPXUKPIYYXBNU-UHFFFAOYSA-N 331.401 2.544 0 50 EFAA COC(=O)c1cc(COC(=O)[C@@H]2CCC[C@H]2c2ccccc2)nn1C 2325792455 FEAJKTWHHCTLEW-JKSUJKDBSA-N 342.395 2.834 0 50 EFAA Cn1cc(C2CCN(C(=O)c3c[nH]nc3Cc3ccccc3)CC2)cn1 2325811693 VDRSWOOERZZBHM-UHFFFAOYSA-N 349.438 2.754 0 50 EFAA CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1c1ccccc1Cl 245344091 XIXVMFABLUGREH-UBHSHLNASA-N 343.876 2.725 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1 73703 GEFYLDGSJPDPDR-CQSZACIVSA-N 336.775 2.790 0 50 EFAA COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccccc2)cc1 142568 REHJMAGOXBJGDO-AEFFLSMTSA-N 325.364 2.870 0 50 EFAA COc1cc(NC(=O)c2ccccc2C(=O)O)ccc1NC(C)=O 397533 PYUSNJRZBJLWAA-UHFFFAOYSA-N 328.324 2.604 0 50 EFAA O=C(O)CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 424293 YSFVHRQTDRWXMV-UHFFFAOYSA-N 344.348 2.720 0 50 EFAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(COc3ccccc3Cl)n21 2356141822 QZTOKJARESPJIC-SNVBAGLBSA-N 332.791 2.576 0 50 EFAA COC(=O)CSc1nnc([C@@H](C)Oc2ccc(C)cc2C)n1C 6728708 WLASPDKDTWJBIJ-GFCCVEGCSA-N 335.429 2.837 0 50 EFAA C[C@@H]1Cc2cc(C(=O)Nc3ccccc3)ccc2N1S(C)(=O)=O 7913970 FRONLUPUYUPUPH-GFCCVEGCSA-N 330.409 2.650 0 50 EFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100081705 ILGGOCMYVBKUCP-UONOGXRCSA-N 333.771 2.885 0 50 EFAA O=C(O)CNc1ccccc1C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C21CC1 102598835 KOYJBHRQULPFAT-UMVBOHGHSA-N 326.396 2.515 0 50 EFAA CN(CC(=O)NCCc1csc2ccccc12)[C@H]1CCSC1 343213238 RWEJMKWQSRUCHE-AWEZNQCLSA-N 334.510 2.997 0 50 EFAA COc1ccc(-n2ncc(CN3CCC4(CCNCC4)C3)c2C)cc1 67559327 UZCMIHISFWACIU-UHFFFAOYSA-N 340.471 2.765 0 50 EFAA C[C@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CO 248884884 DSNPDVRMXRFTHU-NHYWBVRUSA-N 345.270 2.655 0 50 EFAA CNC(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67975187 JIIRIVZSTPMMQX-UHFFFAOYSA-N 335.354 2.766 0 50 EFAA CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 30766053 LIXNGRUYIYBIDF-JKSUJKDBSA-N 346.427 2.537 0 50 EFAA CC(C)C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CC[C@@]1(C)O 67675993 NTZGZSIDYZKNDJ-HNAYVOBHSA-N 345.443 2.784 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](C)c1nnc2n1CCC2 252463459 TVABHOZITIZULV-FPCVCCKLSA-N 348.491 2.879 0 50 EFAA CC(C)[C@H](NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1)c1ccccn1 252506825 VXFPYBUSPLDIME-CAMMJAKZSA-N 342.487 2.904 0 50 EFAA Cc1cc(N2CCC(N(C)C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)nc(C)n1 252517462 JAPLPAGTZAIHFU-DZFIZOCASA-N 342.487 2.957 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cc(C(=N)O)cs2)cn1 328631392 KMPXEDSBDZIGDE-LSDHHAIUSA-N 334.445 2.858 0 50 EFAA O=C(CN1CCCC[C@H]1c1cc2ccccc2[nH]1)NC[C@@H]1CCCO1 121018818 KOZYZFVEJHRNRB-LPHOPBHVSA-N 341.455 2.990 0 50 EFAA COc1cccc(F)c1NC(=O)N1CCN(c2ncccc2F)CC1 253431186 QNGUKBSMSYVORG-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA CN1CCC[C@H](CNC2=NCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 253426476 IYXPIOIHCCAWPR-HIFRSBDPSA-N 340.393 2.637 0 50 EFAA CCc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1CC 253418393 RIHNDSPINVDMMX-MSOLQXFVSA-N 331.460 2.748 0 50 EFAA COc1ccc(-c2nnc(NC(=O)N3C[C@@H]4CC[C@H](C3)O4)s2)cc1 253432433 ZLMNKTXEGRHZSN-BETUJISGSA-N 346.412 2.609 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(C3(C(=O)O)CC3)cc2)CC1 321577806 CWCMLMVALCHBJK-CYBMUJFWSA-N 337.441 2.614 0 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2.626 0 50 EFAA Cc1ccc(CNC(=O)CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc1 886078374 XJRDLKNSVSUEQC-YOEHRIQHSA-N 342.443 2.571 0 50 EFAA CC(C)(C(=O)N1CCC[C@H]1c1cc(F)cc(F)c1)N1CCOC1=O 2325766644 LVZFFGBJXGAZLP-AWEZNQCLSA-N 338.354 2.859 0 50 EFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@H]2CCCO2)s1 2325781227 ZCPYMSVYRQPFFV-YPMHNXCESA-N 346.456 2.657 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCn4nccc4C3)cc2)c1C 2325791542 NCJZQIKNNCHZFP-HNNXBMFYSA-N 335.411 2.887 0 50 EFAA O=C(C=C1CCC1)N1C[C@@H](CN=c2ncc(Cl)c[nH]2)C2(CCC2)C1 2325841084 CFTUPBUZAVPXKJ-CQSZACIVSA-N 346.862 2.703 0 50 EFAA Cc1ccc2nc(CN[C@H]3CCCc4c(O)cccc43)cc(=O)n2c1 957003920 CYWZISCMJUZOLI-KRWDZBQOSA-N 335.407 2.876 0 50 EFAA O[C@@H](CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2 310890 HZFUXWSPQMKYPC-INIZCTEOSA-N 337.379 2.535 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1 366636 YROGTBRPYLLJGG-UHFFFAOYSA-N 349.408 2.592 0 50 EFAA C[C@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O 529275 ZNHWGANOJTUEQD-SECBINFHSA-N 344.754 2.669 0 50 EFAA CCOC(=O)N(CC)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 2900747 BRDLCWHSHREIJW-AWEZNQCLSA-N 349.305 2.592 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccco1 6727582 OBWLEYFWODWKKX-UHFFFAOYSA-N 330.369 2.512 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C3CC3)[nH]n2)s1 55133624 GXMVTJAVRTZJGP-UHFFFAOYSA-N 332.473 2.861 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225542148 LXJKNBOYOAKLRK-WMLDXEAASA-N 346.402 2.816 0 50 EFAA Cn1c(SCc2nnnn2-c2ccc(F)cc2)nc2ccccc21 9059614 IHCTUWIIYXNEEI-UHFFFAOYSA-N 340.387 2.980 0 50 EFAA CC[C@H](CO)N(Cc1ccccc1C)C(=O)c1ccc(CO)cc1 55253977 MPZUDZJUHJNPFX-LJQANCHMSA-N 327.424 2.901 0 50 EFAA Cc1sc2ncc(C(=O)Nc3nnc(C(C)C)s3)c(=O)n2c1C 61717733 YSECVQXWJAJDQX-UHFFFAOYSA-N 349.441 2.600 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67833618 XXMUJUMVOXJQBI-MRXNPFEDSA-N 342.443 2.545 0 50 EFAA CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CCN(C)C1 67788547 AYBPXKIKPMHREL-MRXNPFEDSA-N 339.483 2.721 0 50 EFAA CC[C@@]1(C)Oc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc2O1 135268562 FBSQVAAPUWYPGS-SGTLLEGYSA-N 327.384 2.982 0 50 EFAA Cc1ccccc1[C@H](CN1CCOCC1)NC1C[C@H](C)O[C@@H](C)C1 248504299 VLSGXEWIJMKERW-ZWOKBUDYSA-N 332.488 2.914 0 50 EFAA COc1ccc(OC)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1 67908760 CBSRHJJSELQPFX-UHFFFAOYSA-N 341.411 2.947 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(F)cc2c1OCOC2 249732518 ULHJJKCZXNEENB-VUCTXSBTSA-N 349.402 2.998 0 50 EFAA CCC[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67727448 LQCCZIRZENIMRV-AWEZNQCLSA-N 335.354 2.896 0 50 EFAA COc1cc(F)ccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(C)cc21 35686361 JYKKVTIFLBCDLH-SFHVURJKSA-N 329.327 2.555 0 50 EFAA CC(C)NC(=O)c1ccn(COc2ccc(Br)cc2)n1 2787703 USAWVBLXZDBOAW-UHFFFAOYSA-N 338.205 2.820 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(C)c1nc2ccccc2n1C 120528825 HRRLDOVJBMGGSG-GFCCVEGCSA-N 339.443 2.765 0 50 EFAA Cc1cnc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)nc1N 32553485 WGENPUHIQLETBJ-UHFFFAOYSA-N 326.379 2.921 0 50 EFAA CCCc1cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)no1 33270357 IMGXPDNFRZOHNF-AWEZNQCLSA-N 339.417 2.758 0 50 EFAA FCCn1ncnc1CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 253425453 CXWPZFKTORDPEI-ZDUSSCGKSA-N 349.479 2.963 0 50 EFAA COCCCN1C[C@@]2(CCCN(c3ccncc3C)C2)CCC1=O 72427904 RUEJJBAAIFIFGU-IBGZPJMESA-N 331.460 2.636 0 50 EFAA Cc1ncsc1CCN(C)C(=O)Cn1c(C)nc2ccccc21 72433761 VFJLRXSBRKAVQH-UHFFFAOYSA-N 328.441 2.811 0 50 EFAA CC1([C@H]2CCCN(C(=O)c3cc(Cl)cc(F)c3N)C2)OCCO1 281350541 VKCNKMIEAFXTFE-JTQLQIEISA-N 342.798 2.677 0 50 EFAA Cc1c(-c2cc(CN3CCO[C@]4(C[C@H]5CC[C@H]4C5)C3)on2)cnn1C 366921592 LQDGZYZDGIQCIV-YZVOILCLSA-N 342.443 2.775 0 50 EFAA Cc1ncc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c(C)n1 367610149 MVRJGODURVFRTQ-OAHLLOKOSA-N 338.455 2.830 0 50 EFAA Fc1ccc([C@@H]2CN(Cc3cnc4[nH]ccnc3-4)CCO2)c(F)c1 368112294 IHXATIIBUIRQJG-HNNXBMFYSA-N 330.338 2.761 0 50 EFAA O=C1Nc2ccccc2[C@]12CCN(c1cc(N3CCCCC3)ncn1)C2 375311008 XKGYHMNYMVWUDY-HXUWFJFHSA-N 349.438 2.567 0 50 EFAA O=C1CCCN1C1CCN(Cc2ccccc2Cn2cccn2)CC1 71764100 KFBNQAPUUYPXHA-UHFFFAOYSA-N 338.455 2.518 0 50 EFAA Cc1cnn(C2(C(=O)O)CCN(c3ccnc4ccccc34)CC2)c1 72410728 IXIZDWHVXZXLDV-UHFFFAOYSA-N 336.395 2.820 0 50 EFAA CCC(CC)CN1CC2(CCN(Cc3nccn3C)CC2)OC1=O 72456887 USUBLALBSUYOID-UHFFFAOYSA-N 334.464 2.643 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 77389089 AUMBZQRGMAGJEO-QGZVFWFLSA-N 349.438 2.701 0 50 EFAA Cn1ccnc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1=O 157701329 ZDGDCEDGMLYSHR-UHFFFAOYSA-N 331.681 2.705 0 50 EFAA CN1C(=O)C[C@@H](CN[C@H](c2nccn2C)C2CC2)[C@@H]1c1ccccc1 373830658 DTBBMQDBMMCRIU-WDSOQIARSA-N 338.455 2.680 0 50 EFAA O=C(CCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)c1cccs1 262341129 GCFZNIZRNUJIMU-XQQFMLRXSA-N 335.425 2.955 0 50 EFAA CC[C@@H](C)Nc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 72144726 COEKPKRTKZPWOJ-GFCCVEGCSA-N 325.416 2.654 0 50 EFAA CC1(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)CCC(=O)CC1 333446650 QSVAFQDPBBCAOG-AWEZNQCLSA-N 334.391 2.740 0 50 EFAA CC(C)C[C@@H](O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72435003 PODCWDMEGZWFPU-MRXNPFEDSA-N 333.407 2.815 0 50 EFAA CC(C)[C@H]1CN(CC(=O)NC2CC2)CCCN1Cc1ccc(F)cc1 71763327 GBYICJXNZHCZDS-LJQANCHMSA-N 347.478 2.637 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ns1 496065216 WRHMXQOKRFRCHQ-CMPLNLGQSA-N 339.461 2.969 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H]3OCC[C@@H]13)CC2 240555675 GXDPCTKZNYQMCC-NNPSNHGLSA-N 335.492 2.601 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)n1 263287878 YIBDCXVWVFFRDG-GFCCVEGCSA-N 333.363 2.856 0 50 EFAA CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 17070865 JITIJKRLSWQMRN-MNOVXSKESA-N 337.397 2.919 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@@H](N)C2)cc(Cl)c1OC(C)C 132418018 FWUZIDQOJVMNHR-MUBLQREKSA-N 338.835 2.709 0 50 EFAA CC[C@H](NC(=O)c1ccc(OC)cc1OCCN)c1ncccc1C 426401985 QMHYTQGVYLFFRI-INIZCTEOSA-N 343.427 2.617 0 50 EFAA C[C@H]1N(C(=O)CCc2ccc(C(=O)O)cc2)CCC12CCOCC2 263564558 DZZXTZKJNFMREE-CQSZACIVSA-N 331.412 2.735 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cnn2ccccc12 82126852 IKMDDAFHHOBLAQ-MRXNPFEDSA-N 334.423 2.933 0 50 EFAA CCc1nnc(CN(C)C(=O)N[C@H](C)COc2c(C)cccc2C)o1 426424405 UEIOHRPNDWYLEO-CQSZACIVSA-N 346.431 2.858 0 50 EFAA CC(C)[C@@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccnc1 175910277 TXEVHFBGDZVIMB-CEXWTWQISA-N 339.439 2.779 0 50 EFAA O=C(N[C@H]1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1 82156346 QDZROZUBYFBQFA-INIZCTEOSA-N 340.427 2.732 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)NCCC1CCN(C(C)C)CC1 426563475 PGIRVPQISHLYKF-UHFFFAOYSA-N 349.523 2.945 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 85594544 UYVXZMOFVXGMKR-GASCZTMLSA-N 326.396 2.583 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCCc2c[nH]c3ccc(OC)cc23)C1 92037341 SKUBNTFPHWPWMU-HXUWFJFHSA-N 343.471 2.957 0 50 EFAA O[C@]1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)C1 97744779 KRJUDMVQHFBWFE-GOSISDBHSA-N 329.469 2.837 0 50 EFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2cc[nH]n2)cc1 95382817 AOXNVSJHWDFUCU-UHFFFAOYSA-N 344.378 2.792 0 50 EFAA CN1CCCC[C@H]1CCC(=O)N1CCC(O)(c2ccccc2)CC1 95370660 LBGTZQRJGPSZRP-SFHVURJKSA-N 330.472 2.761 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)on1 91350773 BVVCUTBBKTVJNT-SNVBAGLBSA-N 327.344 2.734 0 50 EFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N[C@@H](CO)Cc1ccccc1 95366873 JSOHCUDDAOGWKN-XUVXKRRUSA-N 344.499 2.751 0 50 EFAA C[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)[C@H]2C1 239119616 IYAUJDXMNAZGAJ-PUYPPJJSSA-N 327.306 2.581 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)c1nc2c(s1)c(C)nn2C 96160958 CINQFSHWNBKSNW-UHFFFAOYSA-N 334.449 2.946 0 50 EFAA Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(OC(C)C)n2)o1 179100044 MNTDAMAUDIPABU-HNNXBMFYSA-N 330.384 2.984 0 50 EFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)Cc3cc[nH]n3)CC2=O)cc1 91519048 WHKJVJVWYDUAGP-HNNXBMFYSA-N 340.427 2.545 0 50 EFAA CC[C@H](C(=O)NCCOc1cccc2ccc(C)nc12)n1cccn1 91461339 MGGKWVMZXVVDBT-MRXNPFEDSA-N 338.411 2.886 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1cc(C2CC2)n[nH]1 244899886 ZSHSZNUFOGCJTO-HACGYAERSA-N 329.375 2.668 0 50 EFAA Fc1ccc(-c2cc(N3CCN4CCC[C@H]4C3)n3nccc3n2)cc1 244659790 HIRVFTKHERLOAP-INIZCTEOSA-N 337.402 2.820 0 50 EFAA O=S(=O)(C1CC1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 181491979 VEQPQMUUIQUSJQ-CYBMUJFWSA-N 335.347 2.571 0 50 EFAA CCc1nnc(NCc2cccc(I)c2)o1 296017688 PGXGYNDWIUQISO-UHFFFAOYSA-N 329.141 2.849 0 50 EFAA Cc1ccc(CN(C)C(=O)NCC2(N3CCOCC3)CCCCC2)o1 367253566 SFLOAOHDMIOPQS-UHFFFAOYSA-N 349.475 2.765 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)s1 39421375 GOGQXNGEQKLRTI-OAHLLOKOSA-N 337.514 2.582 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(OC)c2)C1=O 1940194911 BVGIVJNHMSHULZ-LJQANCHMSA-N 330.428 2.702 0 50 EFAA Cc1cc(C)c2c(CC(=O)NCC3CCS(=O)(=O)CC3)coc2c1 299775309 DCEKEVBSUSLAAN-UHFFFAOYSA-N 349.452 2.533 0 50 EFAA COc1ccc(NC(=O)N2CCC(c3cc(O)nc(C)n3)CC2)cc1 299793064 JDVGWQGLAUYPRQ-UHFFFAOYSA-N 342.399 2.911 0 50 EFAA O=C(O)c1ccn(-c2cccc(NC(=O)c3ccncc3Cl)c2)n1 1343703710 AGMUQZBWRHAWSO-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA COc1ccccc1Cc1nc([C@H]2CCCNC2)n(-c2cccnc2)n1 952988150 OILXPPNJCNWMLN-INIZCTEOSA-N 349.438 2.729 0 50 EFAA C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@@](O)(C(F)(F)F)C1 408274670 NESTYVNWYVVVJM-RISCZKNCSA-N 347.385 2.629 0 50 EFAA CC(C)SCCN1CCN(CCSC(C)C)[C@@H](CCO)C1 408518856 FXOGCPFMGDJMHR-INIZCTEOSA-N 334.595 2.638 0 50 EFAA O=C(c1cnn2ccccc12)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91858031 VJFWWCQAIBDJTR-KRWDZBQOSA-N 335.407 2.531 0 50 EFAA CCc1noc2ncc(C(=O)N3CCc4ccccc4[C@@H]3CO)cc12 185636467 FDWPCKMYIOAOIB-KRWDZBQOSA-N 337.379 2.517 0 50 EFAA Cc1nc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)O)c(C)s1 663149796 ZJKLOPCQWLNONK-INIZCTEOSA-N 330.409 2.513 0 50 EFAA CN(CC1CCN(Cc2ccccc2)CC1)c1nc(C(=O)O)co1 720072327 ZECVLRGMLBWYBQ-UHFFFAOYSA-N 329.400 2.721 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c(Cl)c1 187539482 WRALFOWPTIAOHI-NSHDSACASA-N 327.833 2.802 0 50 EFAA O=c1c2cc(F)c(F)cc2ncn1CCOCC(F)(F)C(F)F 189032191 HDMPUPBAEXBDJC-UHFFFAOYSA-N 340.223 2.592 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(COC(C)C)cc2)C1 644116888 DUIRZRTYKSDVSG-SJORKVTESA-N 343.427 2.937 0 50 EFAA O=C(CN[C@@H]1CCCc2c(O)cccc21)NCc1ccc(F)cc1 192347847 QPGNUXZAHUQKAQ-QGZVFWFLSA-N 328.387 2.815 0 50 EFAA CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cccc3c2OCCO3)C1 676720807 ZMXJLMAPJWUOPN-QGZVFWFLSA-N 338.407 2.525 0 50 EFAA O=C(NCC[S@](=O)Cc1ccccc1)[C@@H]1Cc2ccccc2S1 731859812 WDPJDGSIWROOHE-SBUREZEXSA-N 345.489 2.769 0 50 EFAA CC1=CC[C@@](C)(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CC1 659131446 WNCJTBDAWPKSNW-LJQANCHMSA-N 344.411 2.505 0 50 EFAA O=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccccc1 44625 LJESOOULHSECQO-SFQUDFHCSA-N 336.347 2.960 0 50 EFAA CC[C@H](C)N(Cc1ccncc1)S(=O)(=O)c1ccccc1C(=O)O 1506413904 AGTGAGYUAHZYMK-ZDUSSCGKSA-N 348.424 2.769 0 50 EFAA Cc1cccc(C)c1N[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 1506395887 OTXKOQOYIKWUCL-CQSZACIVSA-N 343.393 2.810 0 50 EFAA COc1c(C)cc([C@@H](C(=O)O)N(C)Cc2nncn2C(C)C)cc1C 1506406900 PPUSRAQHEQYAIQ-INIZCTEOSA-N 346.431 2.742 0 50 EFAA CNC(C)(C)C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212261690 KDHMYSBJQPMHGG-MSOLQXFVSA-N 326.440 2.515 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCCN(Cc2ncc[nH]2)CC1 1529152443 LKSBKHBOROZIEU-KRWDZBQOSA-N 338.455 2.564 0 50 EFAA Cc1nc(N2CCCC2)nc(N[C@H](c2nccn2C)C2CC2)c1C 1704350947 RLWSESTWTFZJCZ-HNNXBMFYSA-N 326.448 2.990 0 50 EFAA O[C@@H]1C[C@@H]2CN(Cc3ccccc3OCCCN3CCCCC3)C[C@@H]21 1772705676 OWUPGDDJYATANN-HSALFYBXSA-N 344.499 2.754 0 50 EFAA COc1cccc(OC)c1-c1nccn1-c1cccc2c1nnn2C 1772810224 DNYGWNUNGCUZSA-UHFFFAOYSA-N 335.367 2.838 0 50 EFAA Cc1oc2c(C)c(O)ccc2c(=O)c1N1C(=O)c2ccccc2C1=O 5955540 JUHGYXRSHXEOSL-UHFFFAOYSA-N 335.315 2.916 0 50 EFAA O=C(NCCN1CCCCC1)c1coc(COc2ccc(F)cc2)n1 11873993 CVWUVEITSDYVTO-UHFFFAOYSA-N 347.390 2.608 0 50 EFAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(N[C@H]3CCOC3)c12 12149042 BEBFECARJUNZNI-LBPRGKRZSA-N 348.472 2.976 0 50 EFAA CCN(CC)C(=O)c1sc2ncnc(NCCCN(C)C)c2c1C 12450867 QPDUQPGNFDIVAK-UHFFFAOYSA-N 349.504 2.845 0 50 EFAA O=C(N[C@H]1CCOC1)c1cc(COc2ccc3c(c2)CCCC3)on1 12588859 HLDPWCKAMVQGHQ-HNNXBMFYSA-N 342.395 2.651 0 50 EFAA CCc1nnc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)s1 13153510 DEEZHBHILKEXEM-UHFFFAOYSA-N 349.441 2.716 0 50 EFAA CO[C@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 15065349 VRGCWRQZTXGGRD-INIZCTEOSA-N 338.411 2.664 0 50 EFAA O=C(Nc1ccnn1Cc1ccccc1C(F)(F)F)c1cnccn1 1875240405 CHWWBJYYEOHGMB-UHFFFAOYSA-N 347.300 2.993 0 50 EFAA O=C1C[C@H](c2ccc(-c3ccc(C(=O)c4ncc[nH]4)cc3)cc2)CN1 1875246820 BBPWBQZGNIISIL-KRWDZBQOSA-N 331.375 2.911 0 50 EFAA O=C(c1ccc(-n2cncn2)nc1)N1CCC(Cc2ccccc2)CC1 121445328 PWBSVPOBYJXTIP-UHFFFAOYSA-N 347.422 2.757 0 50 EFAA Cc1cc(NC(=O)NC[C@@H]2CCCNC2)cnc1N1CCCC[C@@H]1C 333201892 YABIBABFVATISL-JKSUJKDBSA-N 345.491 2.890 0 50 EFAA CCO[C@@H]1C[C@@H](NCc2nnc([C@H]3CCCOC3)o2)C12CCCC2 643922261 IMQTWPQPUHXGBO-RRFJBIMHSA-N 335.448 2.791 0 50 EFAA C[C@H]1CCCC[C@@H]1OCC(=O)NC1CCN(Cc2cccnc2)CC1 332977761 ZMLSFQHFBDGALB-LPHOPBHVSA-N 345.487 2.758 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNCC1=Cc2ccccc2OC1 657721893 XWUGRLSQIZAPRU-FXAWDEMLSA-N 339.439 2.953 0 50 EFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 247234863 ODMFGWVSGHLDRI-QSJFSLAZSA-N 331.460 2.877 0 50 EFAA C[C@H](Nc1ncnc(N)c1Cl)C1CCN(CC(F)(F)F)CC1 685915316 BZGIWIRDBGYMBD-QMMMGPOBSA-N 337.777 2.787 0 50 EFAA Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1 365821369 QFXJZFXLWUCHOH-RHSMWYFYSA-N 341.415 2.573 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1c1ccccc1 262842592 GZOHBWVKNBVJPV-HUUCEWRRSA-N 345.345 2.834 0 50 EFAA C[C@H]1c2ccccc2CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 264404102 IBGVZSJWVFWTMY-LIRRHRJNSA-N 345.464 2.743 0 50 EFAA Cc1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)ccc1-n1cncn1 901621400 HAFUKJFVXHTDKW-GOSISDBHSA-N 348.406 2.760 0 50 EFAA COc1cccnc1NS(=O)(=O)c1cc(F)ccc1OC(C)C 903604878 NXTYPRMNYPYUCE-UHFFFAOYSA-N 340.376 2.817 0 50 EFAA Cc1cc(C(=O)N[C@@H](c2nc(=O)o[nH]2)C(C)(C)C)c(C)n1C(C)C 911584696 WYMBDWWCWOYLFC-ZDUSSCGKSA-N 334.420 2.879 0 50 EFAA CCc1onc(C)c1CNC(=O)Nc1cn(C)nc1C(F)(F)F 930813875 MKEZLBKOSYXSNF-UHFFFAOYSA-N 331.298 2.619 0 50 EFAA CCn1cnc2c1CCN(C(=O)Nc1cnn([C@H](C)C3CC3)c1)C2 930974939 CWSQDFHKOMKNIP-GFCCVEGCSA-N 328.420 2.661 0 50 EFAA O=C(Nc1cc2ccccc2nn1)N1CCn2nc(C3CC3)cc2C1 931799032 HGBANPSRHBEHGG-UHFFFAOYSA-N 334.383 2.751 0 50 EFAA COCc1ccc([C@H]2COCCN2Cc2nnsc2Cl)o1 932336021 JWCZOJNIUJAOTP-LLVKDONJSA-N 329.809 2.504 0 50 EFAA Cc1cccnc1[C@@H]1CCC[C@@H](NCc2cnn3c2CN(C)CC3)C1 952890147 VDEMNQQKEURSMT-SJLPKXTDSA-N 339.487 2.848 0 50 EFAA COc1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC(C)(C)C)C3)n1 952995281 HCDLYEKXGMURNV-XQQFMLRXSA-N 347.415 2.817 0 50 EFAA COCCn1cc(CNc2cc(Cl)cnc2Br)cn1 1875273955 MYIJJINIILDKAA-UHFFFAOYSA-N 345.628 2.953 0 50 EFAA CC(C)C1(CNC(=O)c2ccc(CN3CCOCC3)cn2)CCCC1 1875355797 ACHGFALTALAPNA-UHFFFAOYSA-N 345.487 2.860 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc3c(c2)OC(C)(C)CC3)cn1 1875378438 DAALFQAWDLZEQT-ZHRRBRCNSA-N 327.428 2.787 0 50 EFAA Cc1oc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)nc1C1CC1 887242925 UKBNDNMRKAFNJN-SNVBAGLBSA-N 325.368 2.843 0 50 EFAA COc1ccc(C[C@@H](C)CN2CC(c3cc(CO)on3)C2)cc1F 888078905 IIRRWYQLYLXNOE-GFCCVEGCSA-N 334.391 2.593 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cc(NCC3CC3)ncn2)C1 888102874 RYZWHCIULNXOKG-CABCVRRESA-N 342.447 2.605 0 50 EFAA O=C(c1ccsc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 888918107 WBABDRUCFWXLFH-OAHLLOKOSA-N 335.450 2.750 0 50 EFAA Cc1ccc(-n2nnc(C(=O)N3CCOC[C@@]3(C)C3CC3)c2C)cc1 890580418 BDBQKASBXUCTON-IBGZPJMESA-N 340.427 2.525 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2nc(C)nc3scc(C)c23)C1 1775957145 FTQFRJVLGVGQQX-NWDGAFQWSA-N 345.428 2.966 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC(Cc3cc[nH]n3)CC2)n1 1775987850 GEEOONFVFGPZBY-UHFFFAOYSA-N 325.338 2.986 0 50 EFAA CN(Cc1ccc2c(c1)CNCC2)Cc1cnn(-c2ccccc2)n1 846218060 HZNBTQPCVLZHJF-UHFFFAOYSA-N 333.439 2.545 0 50 EFAA O=C(Cc1cc2ccccc2nc1O)NCCc1c[nH]c2cccnc12 2325824275 XAMKVJSDBGYZPW-UHFFFAOYSA-N 346.390 2.718 0 50 EFAA NCc1nocc1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 2325856850 FTCCOQYFCNWJSW-UHFFFAOYSA-N 348.815 2.840 0 50 EFAA CN(C[C@@H]1COc2ccccc2O1)C(=S)NCc1ccccc1 177867 RFJCCPXRHIONTJ-OAHLLOKOSA-N 328.437 2.833 0 50 EFAA CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 279608 GAISGRLSSUTNHJ-UHFFFAOYSA-N 348.428 2.652 0 50 EFAA COC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 445230 GSDUQMUEANKRGV-TXEJJXNPSA-N 326.418 2.817 0 50 EFAA CC(=O)OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 537345 VTWLRDXOMZJVPM-UHFFFAOYSA-N 327.380 2.981 0 50 EFAA Oc1nc(-c2cccnc2)nc2c1CCC21CCN(CC2CC2)CC1 2356168062 NXAIQWZZIRITFA-UHFFFAOYSA-N 336.439 2.934 0 50 EFAA CCOc1ccc([C@@H]2NC(=O)Cc3cc(OC)c(OC)cc32)cc1 3181601 HZEYBSGFWWSGDM-IBGZPJMESA-N 327.380 2.864 0 50 EFAA CCCCNC(=O)CCc1nc(-c2ccc(OCC)c(OC)c2)no1 4857767 HIPKZJGJIXJQHF-UHFFFAOYSA-N 347.415 2.993 0 50 EFAA COc1cc(OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1Cl 6698808 GKAHNKIYDIQFAB-ZJUUUORDSA-N 339.775 2.963 0 50 EFAA Cc1cccnc1NC(=O)c1sccc1S(=O)(=O)C(F)F 110178806 FOKLFGORTYEZHK-UHFFFAOYSA-N 332.353 2.700 0 50 EFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(C)C)C1 58025743 FLBHIUBEELEQED-AWEZNQCLSA-N 338.473 2.810 0 50 EFAA O=c1c2ccoc2ccn1C[C@H]1CN(Cc2ccccc2)CCCO1 225827809 LBEAAAVUGDHWEH-QGZVFWFLSA-N 338.407 2.886 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCC[C@@H](O)C(F)(F)F)cc1 227257779 LOSUZNPXWBUBPM-ZNMIVQPWSA-N 345.361 2.892 0 50 EFAA CCOc1ccccc1CN1CCN(C2CCCC2)C[C@H]1CCO 104555079 JJUAWDOMAHLLAB-LJQANCHMSA-N 332.488 2.897 0 50 EFAA CCC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 21793880 MUUHHZAXCGXNRR-UHFFFAOYSA-N 339.443 2.896 0 50 EFAA CC(C)CC[C@@]1(C2CCNCC2)NC(=O)N(Cc2cccs2)C1=O 67947128 GYVZNWVUMDHQEA-SFHVURJKSA-N 349.500 2.975 0 50 EFAA COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(CC(C)C)cc1)C2 65386210 WETVGSVBUPFYJL-UHFFFAOYSA-N 341.411 2.524 0 50 EFAA CCN1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1 28403225 CLQRVUASLQFVGE-UHFFFAOYSA-N 335.517 2.818 0 50 EFAA CCCOc1ccccc1C(=O)N1CC[C@]2(CCCN(C)C2=O)C1 67688655 GUEPFOHVJYBTNH-LJQANCHMSA-N 330.428 2.560 0 50 EFAA Cc1sc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1C 23119883 WGEKUUCIDAAPHS-UHFFFAOYSA-N 339.420 2.571 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)n[nH]2)cc1 22309476 MVLLCUAHYJDCNE-UHFFFAOYSA-N 347.422 2.743 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)c2cnc3ccccn3c2=O)c(C)s1 65494472 KSQGWHKDNZPDAG-SNVBAGLBSA-N 342.424 2.601 0 50 EFAA CN(C)[C@@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1 65370286 QGODBAJGBNTGNG-GOSISDBHSA-N 327.403 2.629 0 50 EFAA O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 32100820 YTQCFJYASZPOFK-ZDUSSCGKSA-N 328.343 2.519 0 50 EFAA CNC(=O)c1ccc(CN(CCO)Cc2ccc(Cl)cc2)cc1 252488136 ILHRUHJBWFMXBC-UHFFFAOYSA-N 332.831 2.694 0 50 EFAA C[C@H](Nc1ncnc2c1CCNCC2)c1nc2c(s1)CCCC2 72427360 NFIFRKVKZGZGQW-NSHDSACASA-N 329.473 2.673 0 50 EFAA CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccn2)cn1 328635957 VFOAOSIILSXOJW-ZWKOTPCHSA-N 342.443 2.638 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 32919933 PBGCFKXUKXYYON-SFHVURJKSA-N 343.471 2.649 0 50 EFAA O=C1CN(c2ncnc3sccc23)CCN1Cc1ccc(F)cc1 32603494 SIYNXKGUDRMXIB-UHFFFAOYSA-N 342.399 2.679 0 50 EFAA Cc1cc(CN2CCCn3nc(CCC(=O)O)cc3C2)ccc1F 72426747 QTQRHGDKZWFSNA-UHFFFAOYSA-N 331.391 2.754 0 50 EFAA CO[C@H](C)c1nsc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 328825760 SMUOLOGADGELHE-KOLCDFICSA-N 334.449 2.625 0 50 EFAA Cc1ccc(CSCCNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 253415380 YWESEHKNOMJHTG-DLBZAZTESA-N 329.469 2.882 0 50 EFAA O=C([C@@H]1CCCNC1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 122109589 INPWSENWROCDNB-AEFFLSMTSA-N 344.480 2.810 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1cc(-c2cccnc2)no1 77437900 IXBWDBSYYLHPLR-UHFFFAOYSA-N 339.399 2.668 0 50 EFAA Cc1nc(CNC(=O)CCc2ccc(O)cc2)nc2c1CCCC2 215534353 XTNZMWLSRPVTKV-UHFFFAOYSA-N 325.412 2.618 0 50 EFAA FC(F)(F)Cc1noc(CN2CC[C@]3(C2)OCc2ccccc23)n1 329937953 AAMDEFQYQPCKGF-OAHLLOKOSA-N 339.317 2.806 0 50 EFAA CCc1noc(CC)c1CNC(=O)N1CCN(c2cccs2)CC1 153562193 ZGIPYOSWJAQIEV-UHFFFAOYSA-N 348.472 2.893 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H](C)N1 153986398 RFXQCIFXEXYKGL-RYUDHWBXSA-N 325.250 2.591 0 50 EFAA CCCCc1nc(CN2CCC[C@@H](N3CCCC3=O)C2)c(Cl)[nH]1 71682089 CHDLHXVHZHSRNK-CYBMUJFWSA-N 338.883 2.993 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCC[C@@H](OCC2CC2)C1 364779557 RXJKPNJPELHJTQ-GFCCVEGCSA-N 329.322 2.527 0 50 EFAA CCOC(=O)c1csc(CNC(=O)c2ccc3ncsc3c2)n1 172193600 KKGGASZYCQAGBR-UHFFFAOYSA-N 347.421 2.860 0 50 EFAA Cc1cc(C)c(OCC(=O)N2CC[C@@H](c3nc(C)no3)C2)c(C)c1 331600339 UQZDYYGLMPXFMV-OAHLLOKOSA-N 329.400 2.698 0 50 EFAA CCOCc1nc2c(c(N[C@H](C)c3nc(C)cs3)n1)CCNCC2 72421077 HWGINWLDPRXPMV-GFCCVEGCSA-N 347.488 2.639 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCC3CCCCC3)ccc21 77537486 HWTOKFQSODXDOI-UHFFFAOYSA-N 345.443 2.676 0 50 EFAA COc1cccc(C2=CCN(C(=O)C(=O)Nc3ccsc3)C2)c1 370716572 MZGBWAZINOSGFK-UHFFFAOYSA-N 328.393 2.621 0 50 EFAA CCc1ncsc1NC(=O)NCC1(N)C2CC3CC(C2)CC1C3 333109384 DSQPOKQPTLHYIG-UHFFFAOYSA-N 334.489 2.981 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282489868 JRGCVKVOYQQBHB-WBVHZDCISA-N 339.370 2.579 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1F 282474795 IRKWEAQPJZYLGI-ZBFHGGJFSA-N 333.334 2.922 0 50 EFAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 72418605 KQBFWIXCNAIURS-ZWKOTPCHSA-N 343.471 2.510 0 50 EFAA CCc1ccc([C@H]2COCCN2CC(=O)N(C)Cc2cccs2)o1 132427314 RSRWBQMCBVDCBV-MRXNPFEDSA-N 348.468 2.935 0 50 EFAA COc1ccc(C(=O)N2CC[C@H](c3cccc(OC)c3OC)C2)o1 223531809 KVRQRVXOSHYFSJ-LBPRGKRZSA-N 331.368 2.935 0 50 EFAA COCCN(C/C=C/c1ccccc1)C(=O)N[C@H](C)c1cnn(C)c1 426419678 DLDZHMMAHKXYTM-OJXHRBAXSA-N 342.443 2.853 0 50 EFAA CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccn2)c1C 84968319 UJJLHLYFQHPRCL-LBPRGKRZSA-N 329.425 2.869 0 50 EFAA COc1ccc(C)cc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82161138 FAPWDVJYGFQAJW-UHFFFAOYSA-N 338.407 2.801 0 50 EFAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1n[nH]c(=O)c2ccccc12 176525504 NHPGIUQXXAFUBO-UKRRQHHQSA-N 333.391 2.941 0 50 EFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cnn(-c2ccccc2)c1 426658204 JRXOMRMLGLAIMU-UHFFFAOYSA-N 344.378 2.587 0 50 EFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 237652626 UWZOTZDGHHMDEU-OAHLLOKOSA-N 337.375 2.773 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2cccc(-n3nnnc3C)c2)c1 97785401 QBDYZEPWBTVLIL-SFHVURJKSA-N 349.394 2.567 0 50 EFAA CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCC[C@H](C)[C@@H]2C)cn1 179344332 DEJOANBSSQPMLM-STQMWFEESA-N 336.436 2.834 0 50 EFAA COC[C@]1(O)CCN(C(=O)c2ccc3sc(C)nc3c2)CC1(C)C 91951759 BELWMJHNGAJZLT-GOSISDBHSA-N 348.468 2.854 0 50 EFAA Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cn1 91895321 JDJVXGSGSLSSCN-DOTOQJQBSA-N 341.455 2.562 0 50 EFAA COc1ccccc1CCC(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 244673684 HTTWCPIWENIIQC-OAHLLOKOSA-N 344.455 2.535 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cscn2)[C@H]2C[C@@H](O)C2)cc1F 243902140 BGTKNOSBYWXUHV-JRPNMDOOSA-N 336.388 2.533 0 50 EFAA COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccncc1 181499510 GGMOAMCSJYCWNY-UHFFFAOYSA-N 349.456 2.779 0 50 EFAA Cc1ccc(C)n1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 253410466 NJZWFEXTJXBZEW-UHFFFAOYSA-N 329.791 2.978 0 50 EFAA O=C(Nc1ccnnc1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 297468406 SESOJRNRHYBYKM-SECBINFHSA-N 340.309 2.630 0 50 EFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 299750807 OLWKRRPFASUXMG-LMMKCTJWSA-N 329.488 2.799 0 50 EFAA O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1n[nH]c(C2CCC2)n1 184565353 IQTIYOHPOVPWSI-UHFFFAOYSA-N 348.790 2.678 0 50 EFAA Cc1ccc2nsnc2c1NC(=O)NC[C@H](CO)Cc1ccco1 299772789 AQUWBAGKMUBFKX-LLVKDONJSA-N 346.412 2.565 0 50 EFAA Cc1nccn1CCC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 299755130 CHOZSVYNCLFMFK-UHFFFAOYSA-N 345.834 2.860 0 50 EFAA N[C@H]1CCN(C(=O)NCCCSCc2ccccc2Cl)C1 826951609 IIGPMYVOURFSKT-ZDUSSCGKSA-N 327.881 2.706 0 50 EFAA Cn1nc(C(=O)NCc2nncn2C2CCCCC2)c2ccccc21 828219407 YCAGROUIFHKHDK-UHFFFAOYSA-N 338.415 2.600 0 50 EFAA CCn1ccc2cc(CN3CCN(CC4CC4)[C@@H](CCO)C3)ccc21 670453078 KYOIVGZMGPVNIF-FQEVSTJZSA-N 341.499 2.940 0 50 EFAA OC[C@H](Nc1ccc(C(F)(F)F)nn1)[C@@H](O)c1ccc(Cl)cc1 882648697 GRNBZEFUWPQGOK-GWCFXTLKSA-N 347.724 2.655 0 50 EFAA CCc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)cs1 1565516565 XIFZJOAAURNCDV-GJZGRUSLSA-N 332.425 2.672 0 50 EFAA C[C@H]1C[C@@H](CNC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 271508541 ILYBBTXLYDGJHY-STQMWFEESA-N 333.407 2.964 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2coc3ccccc23)cn1 275392094 RKTCSNLMPHGGME-DOTOQJQBSA-N 325.368 2.909 0 50 EFAA COC(=O)c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 185483506 WOMQRFUYRAGLJR-UHFFFAOYSA-N 325.408 2.957 0 50 EFAA COCC1=CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 185642713 UZPPXWKOSHQIQN-LPHOPBHVSA-N 343.471 2.638 0 50 EFAA CCN(CC(F)F)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 185798372 GQWOVMZQFKAZPQ-OAHLLOKOSA-N 338.398 2.581 0 50 EFAA CCc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2F)s1 170066701 XPWTYKRESBIMKW-NSHDSACASA-N 340.351 2.930 0 50 EFAA CC(C)c1[nH]ncc1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 189262356 HWLYTKDHESTTOG-CQSZACIVSA-N 326.444 2.710 0 50 EFAA CN(C)c1cccc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 189374910 QOTIBBQBNCIIAD-INIZCTEOSA-N 327.432 2.557 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)N2CCSC[C@H](C)C2)cc1 192188086 QWLHDADJKRDFPB-GFCCVEGCSA-N 342.486 2.697 0 50 EFAA CC(=O)NC(C)(C)c1noc(-c2cn(C)nc2-c2ccccc2)n1 193317608 PYQBOPGMXVBCJO-UHFFFAOYSA-N 325.372 2.508 0 50 EFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nncn2C)C1 195084537 DSOKCNQCFUEWOX-ZFWWWQNUSA-N 330.407 2.539 0 50 EFAA Cc1cccc([C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)C(=O)O)c1C 653667365 LCTWSWRROMCOFX-MEDUHNTESA-N 330.384 2.954 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)Nc2cnn3c2NCCC3)c1 1506402723 OQWOMDGYWJDCSY-UHFFFAOYSA-N 341.415 2.619 0 50 EFAA COc1ccc(OCC2CCN(C(=O)CCc3cn[nH]c3)CC2)cc1 1506416902 NAUUMBHWDMQXIO-UHFFFAOYSA-N 343.427 2.669 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@@H]1Cc2ccccc2C(=O)N1 1529195330 JXUGIPAWCZNKLW-INIZCTEOSA-N 338.411 2.600 0 50 EFAA O=C(O)Cc1ccc(CN2CCC(Cc3ccc(O)nc3)CC2)cc1 1772804896 GUCRKJMNQKGAHG-UHFFFAOYSA-N 340.423 2.869 0 50 EFAA CCOc1ccc2nc(CN3C[C@@H]4CCCN4C(=O)[C@@H]3C)ccc2c1 1772707632 WBWTYMZURTWXHL-YOEHRIQHSA-N 339.439 2.829 0 50 EFAA Cc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1cccnc1 5349105 ZIGRZSFTLGFLKS-HNNXBMFYSA-N 331.335 2.819 0 50 EFAA Cc1ccc(C)c(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1 11693058 JGCCQHPCQDMYID-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 12138878 RYFJGZAPXBYZHF-UHFFFAOYSA-N 333.432 2.907 0 50 EFAA CCC(CC)CN1CCC[C@@H](n2cc(C(=O)N(CC)CC)nn2)C1 12149170 BDKWQFJHQBCLEP-MRXNPFEDSA-N 335.496 2.833 0 50 EFAA O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)N2CCOCC2)c1 12404251 DGUFFXCDBPAKQF-MDZDMXLPSA-N 336.391 2.811 0 50 EFAA CC(C)c1nc2cc(C(=O)NCCN3CCCCC3=O)ccc2o1 12429990 DSNDEEZJEUGAOB-UHFFFAOYSA-N 329.400 2.694 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)c(OC)c1 13593244 WUQCBHDARGBBSK-ZDUSSCGKSA-N 330.384 2.787 0 50 EFAA O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H]1c1ccco1 15836439 FKVPAKZVBULLHO-LLVKDONJSA-N 335.410 2.810 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)NC2CCCCCC2)cc1 16579222 PDQVHJGAEUBEQF-UHFFFAOYSA-N 338.473 2.925 0 50 EFAA Cc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 18116327 VOURGVNKJLLPBE-UHFFFAOYSA-N 331.169 2.750 0 50 EFAA CC(C)N1CCC(CN2CCC(N3CCSCC3)CC2)CC1 19299977 TZKJQGWZQOIOPM-UHFFFAOYSA-N 325.566 2.620 0 50 EFAA CCCCn1nc([C@@H]2CCCN(C)C2)nc1-c1ccn2ncnc2c1 1857675011 HUACCWNOBBDXTI-OAHLLOKOSA-N 339.447 2.597 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](COC)Cc1ccccc1 328634632 MUPUYJPDNNPOCX-BZSNNMDCSA-N 329.444 2.580 0 50 EFAA c1ccc2sc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)nc2c1 1875242612 VXDJMGYJGDYWCB-GDBMZVCRSA-N 329.469 2.591 0 50 EFAA O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@H](O)C1 225488180 OXVZOMWTRSLYDS-OLZOCXBDSA-N 331.334 2.795 0 50 EFAA CC[C@@H](C)CCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 351639355 CMOHHNKZNPKCTA-CYBMUJFWSA-N 328.407 2.749 0 50 EFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 252584488 ARRXOSGGGLCADA-RYDUCSDGSA-N 344.333 2.918 0 50 EFAA OC[C@@]1(c2ccccc2)CCCN(c2ncc(Br)cn2)C1 253398178 OMYNQEBEXCHZIN-MRXNPFEDSA-N 348.244 2.770 0 50 EFAA C[C@H]1C[C@@H](CCNC(=O)N2CCCN(C3CCCC3)CC2)CCO1 253426824 BCIWFPSBXJYEOD-IRXDYDNUSA-N 337.508 2.852 0 50 EFAA CC(C)c1occc1C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 263219479 QIMMKPSSLUGJQC-UHFFFAOYSA-N 331.372 2.775 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@](C)(C(=O)O)c1ccccc1 902086990 HNTNPMVWKUBQEX-SFHVURJKSA-N 327.384 2.638 0 50 EFAA O=C(O)CCc1ccccc1C(=O)N1CCOc2cccc(F)c2C1 909692738 FPAXBWYPHGWJRM-UHFFFAOYSA-N 343.354 2.878 0 50 EFAA CCCOc1nc2ccccc2cc1C(=O)N1CCO[C@H](CF)C1 822592231 RKXZFQAGSCOKRU-CQSZACIVSA-N 332.375 2.834 0 50 EFAA COc1nccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)n1 931901038 HLKIGRAOMFBYNV-GFCCVEGCSA-N 325.290 2.861 0 50 EFAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc2cccn2cn1 1141838128 CTYVJQPFGCYIDH-UHFFFAOYSA-N 325.759 2.794 0 50 EFAA Cc1ccc(NC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)cc1Cl 952994577 YSKFNXNADMQECG-JTQLQIEISA-N 348.790 2.871 0 50 EFAA CC[C@](O)(Cn1ncc2ncc(Br)cc21)C(F)(F)F 1875279279 LDMBDTXYSMIYSO-JTQLQIEISA-N 338.127 2.897 0 50 EFAA O=C(NCc1ccc2c(c1)CCCO2)NCc1cc(C2CC2)no1 1875295101 QUUCLDRWFIHATO-UHFFFAOYSA-N 327.384 2.876 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CCC[C@H]2[C@H]1C2(F)F 1875304681 QXHXIAAHQREBPX-FSVCHBRZSA-N 327.371 2.962 0 50 EFAA COc1ccc2c(c1)C(CCNC(=O)[C@@H]1CC[C@@H](C(=O)O)C1)=CC2 1875304374 IOXBWRYZIYONPE-HUUCEWRRSA-N 329.396 2.642 0 50 EFAA CCn1cnc2c1CCN(C(=O)c1c(C(F)F)nc3n1CCCC3)C2 886606143 LNDBBEUECCQPDK-UHFFFAOYSA-N 349.385 2.572 0 50 EFAA C[C@@H]1CC[C@H](C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)O1 889646721 PDIDDRHGDOTOJG-KSBSHMNSSA-N 342.168 2.971 0 50 EFAA O=S1(=O)CCC(Nc2cc(-c3cccc(Cl)c3)ncn2)CC1 892806845 MBSSTBRKVJZPQM-UHFFFAOYSA-N 337.832 2.786 0 50 EFAA O=C(NCc1ccc(CCO)cc1)N[C@@H]1Cc2ccc(Cl)cc2C1 894625722 TUEFFYSSHXYPAI-GOSISDBHSA-N 344.842 2.841 0 50 EFAA Cc1c(C(F)(F)F)n[nH]c1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 1775999304 IYLTYEOYBQGKNL-MRVPVSSYSA-N 329.282 2.564 0 50 EFAA C[C@@H]1CCN(C(=O)c2occc2Br)C[C@@H]1CC(=O)O 2325812907 QUIVBZPCZWEALQ-BDAKNGLRSA-N 330.178 2.615 0 50 EFAA Cc1c(CNC(=O)c2cnc3c(c2)CCNC3)oc2ccc(F)cc12 2325855779 OLQQMXIHBNOPMU-UHFFFAOYSA-N 339.370 2.851 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 180961 XSWKNQTXISUGQM-UHFFFAOYSA-N 339.439 2.724 0 50 EFAA COc1ccc(OCCSc2nnnn2-c2ccccc2)cc1 2059020 DYVIBJWIASRNIF-UHFFFAOYSA-N 328.397 2.842 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@]12CCCNC2=O 2356137147 HGKCACYGDHOSCU-OAHLLOKOSA-N 341.333 2.982 0 50 EFAA COC[C@H](C)NCc1ccc(OC)c(-c2ccc(CCN)cc2)c1 2356162879 NAWIXWJPUZGAGC-HNNXBMFYSA-N 328.456 2.988 0 50 EFAA CCOC(=O)C(=CNc1ccccc1Br)C(=O)OCC 2996788 OPURECGKTUBOKT-UHFFFAOYSA-N 342.189 2.871 0 50 EFAA CN(C)c1cc(C(=O)N[C@H](CO)c2ccsc2)c2ccccc2n1 225390561 SIXDWRCXTWCKBX-MRXNPFEDSA-N 341.436 2.826 0 50 EFAA COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C(F)(F)F)c[nH]1 225396720 IHEVYSUZWAWOCQ-UHFFFAOYSA-N 349.334 2.855 0 50 EFAA CCc1nc(CN2CCC(CNC(=O)c3cc(C)on3)CC2)cs1 111044295 MLVYYJPJIDDTLC-UHFFFAOYSA-N 348.472 2.644 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)[nH]n1 225406631 QEFIUJDMXDQDSP-IINYFYTJSA-N 339.317 2.685 0 50 EFAA COCCOCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(C)C 55042301 KHMUJPOSDFOATC-IBGZPJMESA-N 330.428 2.913 0 50 EFAA CC(=O)c1csc(NC(=O)C2CCN(CC(F)(F)F)CC2)n1 112567691 RRHGRXCUQHRRJY-UHFFFAOYSA-N 335.351 2.559 0 50 EFAA COc1ccc(OC)c(CN(CCO)C(=O)C[C@H]2CC[C@H](C)C2)c1 133970779 UWYUHYKKKLWFAV-GJZGRUSLSA-N 335.444 2.851 0 50 EFAA CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2)c2ccc(C)cc21 100650360 WZGFQBOVUULRDY-IBGZPJMESA-N 338.407 2.988 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(-c3ccc(O)cc3)nc2)no1 67955135 HVHICFNZTOSZAC-UHFFFAOYSA-N 338.367 2.891 0 50 EFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1 134573579 VBPUWNIUZZVUOZ-MEBBXXQBSA-N 344.440 2.808 0 50 EFAA Cc1cccnc1CN(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67946154 SIXZYYHXOOSRNH-UHFFFAOYSA-N 337.379 2.592 0 50 EFAA Cn1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1=O 135611385 FCULUBJQOYNEEQ-UHFFFAOYSA-N 337.206 2.891 0 50 EFAA Cc1ccc(C2(O)CCN(C[C@@H]3COc4ccccc4O3)CC2)nc1 67981917 KKSFBCQQWZTCQR-MRXNPFEDSA-N 340.423 2.513 0 50 EFAA Cc1cc(CC(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)on1 20514546 JHJLZGFUMDNQMQ-UHFFFAOYSA-N 333.338 2.952 0 50 EFAA Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccn1 408447857 JPYILMDYKPVNIH-UHFFFAOYSA-N 329.444 2.645 0 50 EFAA CC(=O)N1CCC(NC[C@@H](c2ccc(F)cc2)N2CCCC2)CC1 65451532 ILJKCFGJZWRYHR-IBGZPJMESA-N 333.451 2.563 0 50 EFAA Cc1cccnc1CN1CCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 67642615 KRKIAEHXBUCVAU-UHFFFAOYSA-N 327.476 2.728 0 50 EFAA COc1ccc([C@H]2CC(=O)Nc3onc(C)c32)cc1Cn1cccn1 65397999 TZUVGILKZOZGFH-CQSZACIVSA-N 338.367 2.711 0 50 EFAA CCN(Cc1cnn2c(C)cc(C)nc12)C[C@@H](O)c1cccc(O)c1 214955005 XSQGOPWGSBNXBK-GOSISDBHSA-N 340.427 2.607 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 72440552 ZSHHQILSBPYTHS-SFHVURJKSA-N 330.472 2.700 0 50 EFAA C[C@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1 215247325 QRIVVTXHWKNUDH-LBPRGKRZSA-N 332.367 2.635 0 50 EFAA CN1CCN(C[C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 216075724 NJEFHWMGFHLGOF-INIZCTEOSA-N 339.886 2.939 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2cccc(N3CCOC3=O)c2)[C@H]2CCO[C@H]21 230217435 IZROXZGWGRVKGP-RBSFLKMASA-N 345.399 2.578 0 50 EFAA Cc1oc2c(c1C(=O)NCc1noc(-c3ccco3)n1)C(=O)CCC2 71575442 KQCVBZWRIPNPNQ-UHFFFAOYSA-N 341.323 2.680 0 50 EFAA CCn1ncc(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)c1C 72144284 FUHSJZDJVXFCRX-MRXNPFEDSA-N 333.457 2.910 0 50 EFAA COc1ccsc1C(=O)N1CCC[C@@H](Nc2ccc(N)nc2)CC1 328631362 KKVJRYCNBMXQQL-GFCCVEGCSA-N 346.456 2.841 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3csc(C(C)C)n3)C2)n1 328625740 DLVYIRXICWCEBP-CQSZACIVSA-N 347.488 2.660 0 50 EFAA CC(=O)N1CCCN(c2ccc(F)cc2NCC2=CCCOC2)CC1 253427408 MHUPFLOLURCRIH-UHFFFAOYSA-N 347.434 2.643 0 50 EFAA O=C(C1CCCC1)N1CC[C@H](n2c(S)nc3ccccc3c2=O)C1 122975059 HYVSQAZKPXUQLH-ZDUSSCGKSA-N 343.452 2.649 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 77341626 ZLLFNFUNKIBEMO-INIZCTEOSA-N 347.846 2.529 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nn2cnc3ccccc3c2=O)o1 365200901 HAEHWUSIURAGKY-BEAPCOKYSA-N 349.390 2.987 0 50 EFAA COCC1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 366868731 ANDJYGDYWIGUPC-UHFFFAOYSA-N 342.395 2.635 0 50 EFAA O=C(c1ccc(Br)cn1)N1CCC[C@@H]1[C@H]1CCCO1 367053207 DVOUKKJOAFUYSI-CHWSQXEVSA-N 325.206 2.628 0 50 EFAA O=C(c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1)N1CCCC1 262695236 FYTPCQRLKDXQCF-CTYIDZIISA-N 344.411 2.752 0 50 EFAA C[C@H](CO)NCc1cc(Br)sc1Br 235451008 HQWVBWGUYKIARU-RXMQYKEDSA-N 329.057 2.744 0 50 EFAA Cc1nnc(CCNC(=O)c2cccc(CCC(C)(C)O)c2)s1 72408624 FJHCLVWNTCKCOM-UHFFFAOYSA-N 333.457 2.523 0 50 EFAA Cc1nc([C@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)n[nH]1 216282539 ORZIQSQFZBLHSV-CQSZACIVSA-N 330.823 2.990 0 50 EFAA Fc1ccccc1-c1cc(N2C[C@@H]3CCCN[C@@H]3C2)n2nccc2n1 72426113 XBTDCJTUCYUEEL-SUMWQHHRSA-N 337.402 2.724 0 50 EFAA Cc1nscc1C(=O)N1CCc2[nH]c3ccc(C(=O)O)cc3c2C1 372963117 XUZWAFSZEXMPKO-UHFFFAOYSA-N 341.392 2.830 0 50 EFAA C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)C1CCOCC1 157841233 HKQYUCCRVIDBJN-INIZCTEOSA-N 330.472 2.830 0 50 EFAA Cc1cccc(NC2CCN(C(=O)CN3CCCCCC3=O)CC2)c1 172579513 WSVXWNUPNYAVPP-UHFFFAOYSA-N 343.471 2.801 0 50 EFAA Cc1cc(COc2ccccc2)oc1C(=O)NCCN1CCCC1=O 219938472 PTXXCSJJDZEGKL-UHFFFAOYSA-N 342.395 2.519 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)c2cc(C)n(CC)c2C)(C(=O)O)C1(C)C 262846391 VTPWVCHXODYAAD-KDOFPFPSSA-N 336.432 2.513 0 50 EFAA COCc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 282543305 NFKHACFHOJUYMQ-QZTJIDSGSA-N 329.371 2.920 0 50 EFAA Cc1c[nH]nc1CN1CCC2(CC1)C[C@@H]2c1nnc2n1CCCCC2 378137887 SYQKLAZBOMPYBR-OAHLLOKOSA-N 340.475 2.806 0 50 EFAA COc1ncccc1NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 242284675 YIUJSZYKSANOEF-CYBMUJFWSA-N 329.404 2.547 0 50 EFAA O=C(NCc1ccco1)N1CCC[C@@H](c2nccn2CC2CC2)C1 82156843 WDSQQZWKVBUSLM-OAHLLOKOSA-N 328.416 2.975 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C 286175626 ZODZCSZTJMKYTE-CXAGYDPISA-N 326.444 2.744 0 50 EFAA O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc2nonc2c1 221297585 UZIUMHNYQATYMS-UHFFFAOYSA-N 327.315 2.641 0 50 EFAA Fc1cccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)c1 195520647 UQLNVIYTCYOZRV-AWEZNQCLSA-N 330.407 2.622 0 50 EFAA O=C(C1CCC1)N1CCC(N2CCC[C@](CO)(CC3CC3)C2)CC1 91985697 QXJOBUUKNWEILD-FQEVSTJZSA-N 334.504 2.652 0 50 EFAA CCc1cc(N2CCC(NC(=O)c3nc(C)sc3C)CC2)ncn1 178833420 VEDAEEYSXXUEBC-UHFFFAOYSA-N 345.472 2.511 0 50 EFAA COc1cccc(-n2cc(CNC(=O)N3C[C@@H]4CCC[C@H]3C4)cn2)c1 426624782 PGVRXWWFRVHJBS-ZBFHGGJFSA-N 340.427 2.965 0 50 EFAA Cc1c(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)n(C)c2ccccc12 91391418 NQSKQVZDRPOUEB-HXUWFJFHSA-N 339.439 2.571 0 50 EFAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91587349 CISVQCSLBNXPMF-OAHLLOKOSA-N 327.428 2.786 0 50 EFAA COc1ccccc1-n1cc(C(=O)N(C)[C@H](C)c2ccon2)cn1 91649971 WCSMTKLQJJSGDD-GFCCVEGCSA-N 326.356 2.702 0 50 EFAA CN(CCCc1nccn1C)C(=O)c1c[nH]nc1-c1cccc(F)c1 91656787 QXAVIJPNSSBMNP-UHFFFAOYSA-N 341.390 2.654 0 50 EFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 97637999 ZRMGMWFSRJIKLN-SJLPKXTDSA-N 333.391 2.773 0 50 EFAA CC(=O)c1cc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)n(C)c1 92038892 SSMCLFKLCCCFEH-UHFFFAOYSA-N 343.471 2.595 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 180703912 PERNCYGOTUUFFR-CEXWTWQISA-N 346.471 2.652 0 50 EFAA C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](CN)C1 299739171 LMPWBORQTBWHHC-AEFFLSMTSA-N 338.451 2.852 0 50 EFAA O=C(NCc1ccccc1Br)N1CCC[C@@H](CO)CC1 297232944 NJDCOZUATYLGJZ-GFCCVEGCSA-N 341.249 2.753 0 50 EFAA CCOC(=O)N1CCC(NC(=O)Nc2c(C)cc(C)nc2C)CC1 299788402 SDVVRMJCSDYHDS-UHFFFAOYSA-N 334.420 2.749 0 50 EFAA CN1CCC(Oc2ccc(NC(=O)Cc3cccnc3)cc2)CC1 823764717 ANBACWBQMMLZLQ-UHFFFAOYSA-N 325.412 2.736 0 50 EFAA Cc1cccc(N2C[C@H](NC(=O)c3cccn3C(C)C)CC2=O)c1 584893027 IEOLOOSZDVDKPO-OAHLLOKOSA-N 325.412 2.913 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3C)C2)cc(O)n1 670434579 FIKUFFXEIMAQNK-OAHLLOKOSA-N 325.412 2.660 0 50 EFAA C[C@@H](NC(=O)NC1(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 584892634 DNDXSXAPDQYNCT-RDTXWAMCSA-N 340.423 2.889 0 50 EFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc(N(C)C)nc2)c1 952979691 OGYAISHGQRKGEZ-CYBMUJFWSA-N 338.411 2.915 0 50 EFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)CC1 408493361 AKDLZXBOOLFGLU-ZDUSSCGKSA-N 335.425 2.658 0 50 EFAA CCc1noc(C)c1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 276324204 PMMDOKHLPLEIHE-JKSUJKDBSA-N 347.463 2.638 0 50 EFAA OCCn1nccc1C1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 170088016 CHFFCQSAWHTLDO-KRWDZBQOSA-N 333.476 2.547 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(C(N)=O)s2)c2cccc(Cl)c2O1 170608929 IZHZJTKWARAIHL-QMMMGPOBSA-N 336.800 2.928 0 50 EFAA CCOc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1 640448863 VIARKPNXTJPINB-UHFFFAOYSA-N 325.412 2.833 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 189727391 GUSIVTVEDOYLAA-XJKSGUPXSA-N 328.420 2.747 0 50 EFAA CCc1ccc2c(c1)[C@H](CCNC(=O)c1ncccc1F)C(=O)N2 668534688 YGULNJHZXRLHLL-LBPRGKRZSA-N 327.359 2.639 0 50 EFAA O=C(CCc1ccncn1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 191239188 WJRDEPUEXCAESO-HNNXBMFYSA-N 345.374 2.745 0 50 EFAA O=C(CC1OCCCO1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 193552314 ZZKPKAHVPDZEMH-GJZGRUSLSA-N 337.416 2.627 0 50 EFAA CC[C@H](C)[C@@H]1NC(=O)N([C@@H](Cc2ccccc2)c2ncco2)C1=O 653525519 WLYNFUWBLUCKNY-QEJZJMRPSA-N 327.384 2.925 0 50 EFAA Cc1cc(=O)n(CCN2CCC[C@@H](c3ccccc3)CC2)c(O)n1 1506419258 MWOQSWIDHMNLPU-QGZVFWFLSA-N 327.428 2.527 0 50 EFAA COc1cc(-n2nnc(C(=O)NC3CCCCC3)c2N)ccc1Cl 11690520 KANWOKOKMDQFRA-UHFFFAOYSA-N 349.822 2.574 0 50 EFAA CN(C)c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12 13676140 GYWGXEGOXODOQU-UHFFFAOYSA-N 343.456 2.584 0 50 EFAA investigational CC(C)(C)CN1CCC[C@@](O)(CNCc2ccc(Cl)s2)C1=O 14966209 OUWOITNGIIJETO-MRXNPFEDSA-N 344.908 2.891 0 50 EFAA CC[C@]1(CCC(=O)NCc2nc3ccccc3s2)CCC(=O)N1 14985095 YZSXXGSQNWQOKR-KRWDZBQOSA-N 331.441 2.752 0 50 EFAA Cc1ccccc1CN1CC[C@H](N(C)Cc2nonc2C)CCC1=O 15007470 HWAZSERQZAMLTM-QGZVFWFLSA-N 342.443 2.700 0 50 EFAA CC1=C(CCN2CCN(c3cnn(C)c(=O)c3)CC2)C(C)(C)CCC1 19840632 LJTFGECMROHTHI-UHFFFAOYSA-N 344.503 2.819 0 50 EFAA CCOc1ccccc1NC(=O)Cn1nc2c(cc1=O)CCCCC2 169772703 GYKXWTISWHWRKJ-UHFFFAOYSA-N 341.411 2.550 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@@H](O)CO)s1 1857692112 PEVUMQOSDMXBMF-CYBMUJFWSA-N 329.425 2.725 0 50 EFAA CNC(=O)CCCC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 225443258 GSIIVBLCWYPYDS-UHFFFAOYSA-N 338.398 2.662 0 50 EFAA Cc1nc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cs1 328629783 IQPOFJNUCMRZMC-WMLDXEAASA-N 333.505 2.700 0 50 EFAA C[C@@H](C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1c(F)cccc1F 123331481 QNZQWXYLGGAQDG-LLVKDONJSA-N 347.427 2.740 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 331802430 JSKCVLKYCDAZOZ-JTQLQIEISA-N 326.322 2.787 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](CCC(=O)O)C1 237081232 QZSABDUJHKKEKE-GFCCVEGCSA-N 339.819 2.995 0 50 EFAA Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)O)C1 263050347 DIZIWWMXEZWGHK-SJORKVTESA-N 346.471 2.619 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)CCc3ccco3)C2)no1 264064717 BLFQUMUTSZYYQN-UKRRQHHQSA-N 346.431 2.956 0 50 EFAA CC(=O)N1CCC(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)CC1 266171983 KIYBXNUPTQGNIY-INIZCTEOSA-N 335.835 2.807 0 50 EFAA O=C(Nc1nc2cnccc2[nH]1)[C@@H]1CCN(c2ccccc2F)C1 810780041 LMKOOHOORVRDFC-LLVKDONJSA-N 325.347 2.562 0 50 EFAA C[C@H](NC(=O)C1(C(=O)O)CCCC1)c1nccn1-c1ccccc1 911746513 YOYNWOFMDMCBLV-ZDUSSCGKSA-N 327.384 2.695 0 50 EFAA CNC[C@@H]1CCCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 923429707 BQPYILCAXRQPCV-HOTGVXAUSA-N 330.394 2.683 0 50 EFAA O=C(c1cc(Cl)cc(Cl)c1O)N1CCC(O)(C(F)F)CC1 935496887 FWCXRJAKZUOPEP-UHFFFAOYSA-N 340.153 2.931 0 50 EFAA O=C(NCc1cc2ccccc2nc1O)c1nnc(O)c2ccccc12 1159999181 CLNAAZFHWCRLMK-UHFFFAOYSA-N 346.346 2.519 0 50 EFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1cncc(C(=O)O)c1C 1875277984 RRXHLIFCMUMVLX-GFCCVEGCSA-N 342.395 2.800 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)NCc1nc2c(s1)CCCC2 1875277829 HYSWQKULMDXFTK-UHFFFAOYSA-N 330.409 2.959 0 50 EFAA CC[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 1875341738 FTDGHHJTLIHZBU-QKPAOTATSA-N 344.521 2.858 0 50 EFAA O=C(c1cc(O)c2ccoc2c1)N1CCC[C@@H]1c1nccc(O)n1 1875338816 MVODMUGMJDTMHZ-GFCCVEGCSA-N 325.324 2.611 0 50 EFAA C[C@@]1(C(=O)n2[nH]c(=N)c3cc(F)ccc32)OCCc2ccccc21 1875342521 VLRAQBQCQDHUPP-GOSISDBHSA-N 325.343 2.716 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 1875371999 SZIBYIRFNLOVDV-MRXNPFEDSA-N 338.411 2.926 0 50 EFAA F[C@@H](c1nc(-c2cccc(OCc3cccnc3)c2)no1)C1CNC1 888096992 UDFCWCOUZIGWAB-MRXNPFEDSA-N 340.358 2.941 0 50 EFAA C=Cc1ccc(CCNC(=O)N[C@@H]2CCOC23CCOCC3)cc1 894996657 NSYGVVBBRZOWQQ-QGZVFWFLSA-N 330.428 2.509 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1F)N[C@H]1CCOC12CCOCC2 895003784 APNVVLLULXXKED-KRWDZBQOSA-N 348.418 2.840 0 50 EFAA Cc1nnc(CCNC(=O)CCc2c[nH]c3cccc(C)c23)s1 1775986398 IXJHPCQWBRPPKJ-UHFFFAOYSA-N 328.441 2.928 0 50 EFAA O=S(=O)(C[C@@H]1CCCCO1)Nc1cc2c(Cl)n[nH]c2cc1F 1775990394 MAVKQFNGVLGZOD-QMMMGPOBSA-N 347.799 2.666 0 50 EFAA Fc1ncc(Br)cc1Cc1noc([C@@H]2CCCO2)n1 1775998311 WOIMVADTHMOEIM-VIFPVBQESA-N 328.141 2.809 0 50 EFAA CCN(CCC1CC1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1776002389 ASOMDXWUAACVET-QGZVFWFLSA-N 343.471 2.651 0 50 EFAA CCn1nc(CNC[C@@]2(O)CCOc3ccccc32)c2ccccc21 2325774256 XKRFOYQHTKFTTA-FQEVSTJZSA-N 337.423 2.816 0 50 EFAA N[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)CCCC2(CCC2)C1 2325787255 NUMWQMLBBXZQIU-GQIGUUNPSA-N 342.439 2.858 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1C[C@H]2CCOC[C@@]2(C(=O)O)C1 2325813154 QLQMITXBJFPRDY-APWZRJJASA-N 341.363 2.510 0 50 EFAA CC(C)(C)c1cn([C@@H]2CC[C@H](C(=O)N[C@]34C[C@H]3COC4(C)C)C2)nn1 2325824451 BFZGGXLBZLMMKX-WZFJYNIESA-N 346.475 2.601 0 50 EFAA CCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 147174 JKDGINSEVJAANR-UHFFFAOYSA-N 339.395 2.699 0 50 EFAA aggregator Cc1ccnc(NS(=O)(=O)c2ccc(Br)cc2)c1 179583 DBTGJVZIWWGZSD-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA Cc1nc(O)cc([C@H]2CCCN(c3c(C)c(C)nc4ccnn34)C2)n1 2356136828 LKBYMWOJYCDTLI-AWEZNQCLSA-N 338.415 2.534 0 50 EFAA C[C@H](Cn1cncn1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356145593 DVGFOQUEUVIKGG-SECBINFHSA-N 347.762 2.785 0 50 EFAA COc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1 2330890 LEZMJMGYBFDCRT-UHFFFAOYSA-N 335.319 2.541 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356157507 JEPWWKXLZDXKIR-LJQANCHMSA-N 336.395 2.600 0 50 EFAA C[C@H](Oc1ccc(F)cc1F)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356164710 DGWVGWIEBOIUPD-SCUASFONSA-N 325.355 2.637 0 50 EFAA O=C(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2 4701880 BUGYPZCDENFAJB-UHFFFAOYSA-N 335.363 2.684 0 50 EFAA COc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 6249029 QCPPRRDBKHWXHO-UHFFFAOYSA-N 330.409 2.526 0 50 EFAA Cc1ccc(-c2nc(CN3CCN(CCO)[C@@H](C)C3)cs2)cc1 249553568 IXMYYDFGEDPTKO-HNNXBMFYSA-N 331.485 2.617 0 50 EFAA C[C@H]1CCc2onc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 6901829 WFBXPUIMKWLSHV-ZDUSSCGKSA-N 343.402 2.901 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 7282966 WEMZVCONLZXBJV-UHFFFAOYSA-N 333.819 2.836 0 50 EFAA O=C(NC1CCCCC1)c1cnc2sc3c(n2c1=O)CCCC3 10327224 PIRWNLNUHVJXHG-UHFFFAOYSA-N 331.441 2.697 0 50 EFAA O=C(c1ccon1)N1CCC[C@H](Cn2cc(-c3ccsc3)nn2)C1 20856336 PXSPNTMJSDJTQF-LBPRGKRZSA-N 343.412 2.547 0 50 EFAA COc1cccc2c1CCc1c(C(=O)NCCc3ccco3)n[nH]c1-2 170625776 UBWJDBIRKQEVBZ-UHFFFAOYSA-N 337.379 2.749 0 50 EFAA Cc1cc(N2CC[C@H](Oc3ccncc3)C2)nc(-c2ccncc2)n1 133814439 LMRANRFLWTYIQV-KRWDZBQOSA-N 333.395 2.900 0 50 EFAA c1ccc2cc(-c3ncc(CNCCCc4nnn[nH]4)cn3)ccc2c1 55165757 IVEKCUYEKKMFHM-UHFFFAOYSA-N 345.410 2.532 0 50 EFAA CCOC(=O)c1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 116410115 FEJMKYWTDHTWSC-AWEZNQCLSA-N 342.399 2.618 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CSc2nnc(C)s2)c1 55072016 RZGVKPKDUAHGLC-LLVKDONJSA-N 336.486 2.732 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 246809149 FFTAFBRKQYYPGG-YSIASYRMSA-N 342.483 2.812 0 50 EFAA Cc1ccccc1Cc1nnc(NC(=O)[C@@H](C)N2CCCC2)s1 55255664 FVDPYKHVJKVMGK-CYBMUJFWSA-N 330.457 2.860 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC2CCN(c3ccc(Cl)nn3)CC2)n1 67974736 SZTKUGFKALKADI-CYBMUJFWSA-N 348.882 2.590 0 50 EFAA CCc1noc(C2CCC(N[C@@H](C(N)=O)c3ccc(F)cc3)CC2)n1 134888984 NXUPGCDBPYIDPH-LDZOIKDWSA-N 346.406 2.614 0 50 EFAA Cc1ccsc1CN(CCN(C)C)C(=O)Cc1ccc(O)cc1 63844380 KDVWHBLBXYQUNW-UHFFFAOYSA-N 332.469 2.895 0 50 EFAA C[C@H](NCC(=O)N1CCC[C@H]1c1cccs1)[C@H](C)n1cccn1 248232641 LGYCGYJZGWSPQV-KKUMJFAQSA-N 332.473 2.847 0 50 EFAA COc1cccc(C[C@H](C)NCc2ccc3c(c2)n(C)c(=O)n3C)c1 65527394 KHKBKCDLQLJIDT-AWEZNQCLSA-N 339.439 2.606 0 50 EFAA CN(C)C(=O)c1cccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 248514404 DXIWVAUSXYRKRR-PVAVHDDUSA-N 330.428 2.606 0 50 EFAA O=C(NCc1cccs1)N1CCCN(C(=O)c2cccs2)CC1 112386979 SBUZJVVFZHTYKG-UHFFFAOYSA-N 349.481 2.867 0 50 EFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 251571942 VCEOJJGUXKJQJY-LERXQTSPSA-N 332.787 2.618 0 50 EFAA COc1ccc(NC(=O)NC[C@@H](c2ccnn2C)C(C)C)c(OC)c1 252481447 CMJNROBAUQJERZ-CQSZACIVSA-N 346.431 2.999 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1(N)CC1)CCO2 67713956 MILMJYLPGBVSNA-UHFFFAOYSA-N 338.407 2.580 0 50 EFAA O=C(N[C@@H]1CCN2CCC[C@H]2C1)N[C@@H]1CCOC2(CCCCC2)C1 252511208 DZHUANRCUJTCAV-ZACQAIPSSA-N 335.492 2.794 0 50 EFAA c1ccc(CN2CCO[C@@H]3CN(c4nc(C5CC5)ns4)C[C@H]32)cc1 230090366 DKRWZPPQICKGDA-HZPDHXFCSA-N 342.468 2.505 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCN2CCCC[C@@H]12 230166951 MZXBUJIFYZCVIY-ZACQAIPSSA-N 335.492 2.794 0 50 EFAA Cc1cc(NC[C@H](O)COCc2ccccc2)n2nc(C)c(C)c2n1 72436064 XXUWMSYXYUZZKO-KRWDZBQOSA-N 340.427 2.644 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ncc(F)cc2F)CCCN1CC1CC1 71750975 NQIYUCWMBXDNLP-MRXNPFEDSA-N 337.414 2.942 0 50 EFAA COc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)nn1 120892514 DEFXQNSQMXQMBN-OAHLLOKOSA-N 329.425 2.724 0 50 EFAA CC(C)CO[C@@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 120883956 IRPONYINRYUVRC-CYBMUJFWSA-N 349.406 2.989 0 50 EFAA CC(C)n1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cn1 77376113 KYWAYBGQLBHQJU-UHFFFAOYSA-N 340.427 2.630 0 50 EFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCCOC1 171686498 MYMPBGLBAMOLBK-CQSZACIVSA-N 328.368 2.548 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2nc3cc(F)ccc3o2)cn1 328646035 ZYBGZEWDRPMKOR-XJKSGUPXSA-N 330.363 3.516 0 50 EFAA Cc1ccc(O)c(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)n1 328628991 OIDKPYMFYOPQQA-INIZCTEOSA-N 346.431 2.860 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 257365657 DTWXWXJHLGDULW-UONOGXRCSA-N 338.883 2.920 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 13324355 GKCKKNXUCWQQNK-UHFFFAOYSA-N 340.427 2.830 0 50 EFAA O=C(COC[C@@H]1CCCCO1)N1CCC(OCc2ccccc2)CC1 77375075 RYCKZVFMHHMZIX-IBGZPJMESA-N 347.455 2.780 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCCC[C@H]3[C@H](C)N)c2C)no1 237441953 CTIQYQZPCNPTNC-BBRMVZONSA-N 330.432 2.732 0 50 EFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@H]1OCCc2ccccc21 237600681 VETCDBMKLOPYOA-MJGOQNOKSA-N 339.391 2.941 0 50 EFAA O=C(O)CN(C(=O)C[C@H]1CCCc2ccccc21)C1CCOCC1 238098872 GLBQFVLDBGPCIZ-OAHLLOKOSA-N 331.412 2.589 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 238018353 AHCDWDHPFMFXPJ-LLVKDONJSA-N 333.413 2.855 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccc(C)cc2)n1 72442146 WSBDJADMDLNAEC-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C[C@H]1CO 282790550 NCIMNVHYARJCPZ-ZBFHGGJFSA-N 341.411 2.753 0 50 EFAA Cc1c(NC(=O)NCc2ccco2)nnn1Cc1ccccc1F 338499671 YGWKJVFBPRPCLQ-UHFFFAOYSA-N 329.335 2.689 0 50 EFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1ccnn1C1CCCC1 263288526 VQJXPXVXBJFGGO-KRWDZBQOSA-N 339.395 2.822 0 50 EFAA Cc1cccc(CCNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)n1 458740583 MICLJJCWDGOYOP-GOSISDBHSA-N 343.402 2.855 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cn1 426597367 GHNNDZZBCUTDIL-UHFFFAOYSA-N 339.439 2.973 0 50 EFAA Cc1cc(C)cc(OC[C@@H](O)CN2CCO[C@@H](c3nccs3)C2)c1 222214522 WGGWCLVALBXBDG-DOTOQJQBSA-N 348.468 2.573 0 50 EFAA Cc1nnc(SCC(=O)NCc2nc3ccccc3n2C(C)C)o1 426386310 LNQQDYCMFADGBT-UHFFFAOYSA-N 345.428 2.717 0 50 EFAA CCc1ccccc1N1CCN(C(=O)NCC[C@H]2CCCN2C)CC1 426531563 IKZTWCNZKUJZLK-GOSISDBHSA-N 344.503 2.565 0 50 EFAA CCC[C@H](C(=O)OCC)N1CCC2(CC1)Nc1ccccc1NC2=O 82136728 JPMRPMSFPKYLJX-MRXNPFEDSA-N 345.443 2.617 0 50 EFAA COc1cc(NC(=O)CNC(=O)c2cc(C)c(C)s2)cc(OC)c1 177996899 RDJGWFVMCRKKPZ-UHFFFAOYSA-N 348.424 2.751 0 50 EFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CC[C@H](n2cc(Cl)cn2)C1 292133791 GZVQRXSIEPOOOK-LSDHHAIUSA-N 337.782 2.573 0 50 EFAA O=C([C@@H]1CCCCC12OCCO2)N1CCO[C@@H](c2ccccc2)C1 334160460 FDNIQBQHPFKADZ-DLBZAZTESA-N 331.412 2.520 0 50 EFAA Cc1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)ccc1F 91350789 ZTNJBQANFYURKK-KUHUBIRLSA-N 335.419 2.774 0 50 EFAA O=C(CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1nccs1 179764703 NQOSMYULKDTIOC-INIZCTEOSA-N 345.424 2.594 0 50 EFAA CC[C@H](C)n1ncc(C(=O)Nc2nnc3n2CCCC3)c1C1CC1 162473500 FWRSLTOOKDMJTL-NSHDSACASA-N 328.420 2.912 0 50 EFAA CSCCCN1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91896225 CSVDLMBCEJVYDF-INIZCTEOSA-N 340.533 2.623 0 50 EFAA Cc1cc(NC(=O)N2CCC(N3CCC[C@H](O)C3)CC2)ccc1F 96130280 HLVLYWDSPPFTJQ-INIZCTEOSA-N 335.423 2.587 0 50 EFAA COCc1cccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)n1 95367780 OLAQNWVRGCEJBL-CQSZACIVSA-N 326.396 2.599 0 50 EFAA CN(C)[C@@H](CN1CC2(CCNCC2)CCC1=O)c1ccccc1Cl 91871291 XCZOGAAKUZKAJH-KRWDZBQOSA-N 349.906 2.935 0 50 EFAA Cc1cnc(N[C@H]2C[C@@H](c3cc(O)nc(C4CC4)n3)C2)nc1N(C)C 253535758 PIQISLDQYUQPLG-BETUJISGSA-N 340.431 2.582 0 50 EFAA Cc1ccccc1CN(CCO)C(=O)Nc1cc(C(C)C)nn1C 299780931 BEBWIDNXFZCIFD-UHFFFAOYSA-N 330.432 2.878 0 50 EFAA CC(C)Cc1ccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299795698 MFZIXVXKVABDQK-OALUTQOASA-N 326.444 2.822 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3c(C)nc4ccccn34)[C@H]2C1 299761271 IIHMKVOONDJJNO-HHXXYDBFSA-N 329.444 2.801 0 50 EFAA Cc1cc2c(cn1)CN(C(=O)c1ccc(OCCCN)c(Cl)c1)C2 299786617 WVCDZXHMXVPPER-UHFFFAOYSA-N 345.830 2.927 0 50 EFAA COCCOC1CCN(C(=O)[C@@H](C)Nc2c(C)cccc2C)CC1 584886988 PUYYDMLPCQHNJU-MRXNPFEDSA-N 334.460 2.758 0 50 EFAA C[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1ccc(F)cc1F 584888617 BXKPFPPSALFHNI-SNVBAGLBSA-N 340.326 2.737 0 50 EFAA CC[C@H](NC(=O)c1cc(O)cc(C(=O)OC)c1)c1ccc(C)cn1 584888314 PBXFHNGVUVCOOV-HNNXBMFYSA-N 328.368 2.763 0 50 EFAA C/C=C(\C)C(=O)N1CC[C@H]2[C@@H](CCCN2Cc2cn(CC)nc2C)C1 74134777 QNUJIGNYSLTCME-SFIWIKQBSA-N 344.503 2.991 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCc2ccccn2)[C@@H]1n1cccn1 408520671 RIEXAUOYZAITNT-JZXOWHBKSA-N 342.443 2.524 0 50 EFAA Cc1ccc(CNC(=N)NCc2ccccc2)c(O[C@H]2CCOC2)c1 170662036 UJXZBCXVMJTZBY-SFHVURJKSA-N 339.439 2.977 0 50 EFAA C[C@@H](c1nc([C@H](C)c2cnccn2)no1)n1ccc(C(F)(F)F)n1 632177649 BBAZJVJMAHKTNF-BDAKNGLRSA-N 338.293 2.836 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)C2CC(OCc3ccccc3)C2)C1 673800193 IPONSJSICWZDIT-JLAWEPINSA-N 330.472 2.925 0 50 EFAA COc1cccc(N2CCC[C@@H](NCc3cn(C(C)(C)C)nn3)C2)c1 191107162 BBKNHKFTWQAZNH-OAHLLOKOSA-N 343.475 2.800 0 50 EFAA O[C@@H](CN1CCN(c2nc3ccccc3o2)CC1)C1CCCCC1 191334485 ZSFAWJFWFXTARE-KRWDZBQOSA-N 329.444 2.891 0 50 EFAA CN1C(=O)CC[C@H](C(=O)NCC(F)(F)C(F)F)[C@@H]1c1ccccc1 192024383 AZIBHLSUPPIMAC-AAEUAGOBSA-N 346.324 2.613 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@]23CCOC3)cc(C)c1OC(F)F 194391526 WPEHKZYXCIJCOQ-QGZVFWFLSA-N 341.354 2.536 0 50 EFAA CCNC(=O)c1ccc(NCc2nccn2CC(F)(F)F)cc1 195104236 YRVNFZBVENLALD-UHFFFAOYSA-N 326.322 2.807 0 50 EFAA CN1CCN(C(=O)c2scc3c2OCCO3)c2cc(F)ccc21 653668383 IQZGAJSMTZTHPN-UHFFFAOYSA-N 334.372 2.755 0 50 EFAA Cn1nnc2c(N[C@@H]3CCc4cc(Br)ccc43)ncnc21 663416947 FESWGLXYAIEWNN-LLVKDONJSA-N 345.204 2.620 0 50 EFAA CC[C@H](C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 414649880 COVPQQARXHLPIB-JTQLQIEISA-N 348.262 2.528 0 50 EFAA COCCCNC(=O)COc1ccc(Br)cc1Cl 4592263 VRFAUEBVNGPASD-UHFFFAOYSA-N 336.613 2.634 0 50 EFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)C(=O)CC(C)C)CC3)c1 12305617 LAYJWZWSYFKQTM-UHFFFAOYSA-N 341.411 2.585 0 50 EFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3cc(C)cc(F)c3)C[C@]23CC[C@H]1O3 1857737062 VNYORSJCXLCYGH-JRBPQWBISA-N 346.446 2.640 0 50 EFAA Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(C)c1F 134301501 RFXIISPKATYERF-UHFFFAOYSA-N 329.375 2.926 0 50 EFAA COCC1(CNC(=O)N[C@H](c2nnc3ccccn23)C(C)C)CCC1 252508111 XDCPUVIVYIQMCG-HNNXBMFYSA-N 345.447 2.542 0 50 EFAA COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccc(F)cc2)cc1 262673376 XTQZZTHYWUHAFI-IXDOHACOSA-N 343.354 2.761 0 50 EFAA Cc1ccc(Br)c(C(=O)N2[C@H]3CC[C@H]2c2c[nH]nc2C3)n1 827592185 GGWXRFWUJCQBGQ-ZANVPECISA-N 347.216 2.778 0 50 EFAA Cn1ncc(NC(=O)c2ccnc3[nH]c(CC4CC4)nc23)c1C(F)F 935113944 RHJBWQRDKIDGHC-UHFFFAOYSA-N 346.341 2.834 0 50 EFAA CO[C@@H]1Cc2ccc(NC(=O)c3ccc(OCC(=O)O)cc3)cc2C1 864178711 KFKLPNTXRIWJLZ-QGZVFWFLSA-N 341.363 2.516 0 50 EFAA COc1ccc(F)cc1C(=O)NC1CC(NC(=O)OC(C)(C)C)C1 1875274714 UBIGHPWBENOOPW-UHFFFAOYSA-N 338.379 2.620 0 50 EFAA O=C(c1cccc(Nc2cnccn2)c1)N1CC(c2ccccn2)C1 1169714216 CHOIMMIYMVSAKT-UHFFFAOYSA-N 331.379 2.855 0 50 EFAA CN(CC1=CCCOC1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccn1 888101689 LBUCUOLSMMPCKE-WMZOPIPTSA-N 329.444 2.781 0 50 EFAA CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ccncc3Cl)CC2)O1 1775957785 NKSCNIUSPBAAME-JKSUJKDBSA-N 337.851 2.587 0 50 EFAA Cc1noc([C@H]2OCC[C@H]2CNc2cncc(Br)c2)n1 1775959449 XRDVJPWXWUSJIZ-CABZTGNLSA-N 339.193 2.725 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(O)cc1O 311228798 YUDQJQWWNBRASU-MRXNPFEDSA-N 340.423 2.740 0 50 EFAA Cc1cc(S(=O)(=O)NC(C)(C)c2nn(C)c3ccccc23)c(C)o1 2325783072 XESBEDWQGIQUMV-UHFFFAOYSA-N 347.440 2.997 0 50 EFAA CN(C)[C@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C2(CCOCC2)C1 2325783590 KCTXIVJDDRUPPE-VNCLNFNDSA-N 334.504 2.915 0 50 EFAA COc1cc(CN2C[C@@H](CC(=O)O)OCC2(C)C)ccc1Cl 2325788144 OKLJGWSJFSGDGU-GFCCVEGCSA-N 327.808 2.803 0 50 EFAA C[C@H](N)[C@@H](NC(=O)c1cnn2cccnc12)c1ccc2ccccc2c1 2325862939 OFCGJWOXTXOZLE-SCLBCKFNSA-N 345.406 2.701 0 50 EFAA CC(=O)N1CCC[C@H](CN(C)C(=O)c2ccc3cccnc3c2)C1 965834515 ONYIGIPWYBNDSF-OAHLLOKOSA-N 325.412 2.565 0 50 EFAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1Cl 104002 WTUDEHJHMBRPJP-UHFFFAOYSA-N 344.864 2.509 0 50 EFAA COc1cc(=O)n(C)c2c(OC[C@H]3OC(C)(C)OC3(C)C)cccc12 199407 HFXBOPGUQAUMHA-OAHLLOKOSA-N 347.411 2.856 0 50 EFAA biogenic COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 358516 XMEPFSKJEAPVNT-UHFFFAOYSA-N 346.408 2.845 0 50 EFAA CC(=O)COC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1 460954 CFLWJBNHFFRXHL-UHFFFAOYSA-N 337.331 2.541 0 50 EFAA CCOCCOC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 1745368 OMJAHZNLPVGDGQ-UHFFFAOYSA-N 343.379 2.897 0 50 EFAA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 2474403 VIZUXHWYDJXQLK-SMDDNHRTSA-N 330.409 2.898 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 4868085 DOUFEIKUCKMMGP-APPDUMDISA-N 326.352 2.812 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1O 6701704 KIWWWXCVBLRQNW-UHFFFAOYSA-N 340.408 2.919 0 50 EFAA CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)n1C 6702545 QLJWRYGOKZBXOR-UHFFFAOYSA-N 340.836 2.770 0 50 EFAA COc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c(OC)c1 8217413 HLKYDXHNGBSYEC-CYBMUJFWSA-N 346.427 2.506 0 50 EFAA Cn1cccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225507513 GPCIDOGIYDTSCI-DZGCQCFKSA-N 338.329 2.992 0 50 EFAA Cc1nnc(SCc2cc(=O)n3c(nc4ccccc43)[nH]2)s1 100129212 CJTNZHCNNBSNSA-UHFFFAOYSA-N 329.410 2.628 0 50 EFAA COc1ccccc1CC(C)(C)NC(=O)c1cc(C(=O)O)ccn1 416414560 IGCYYROPGVSUCA-UHFFFAOYSA-N 328.368 2.540 0 50 EFAA C[C@@H]1[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCC[C@H]1C 246905671 LSURHRTZEIHKRL-ILXRZTDVSA-N 329.444 2.872 0 50 EFAA Cc1ncncc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72469839 DOYLUNSDAZLROJ-UHFFFAOYSA-N 340.471 2.512 0 50 EFAA Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cnco3)C2)cc1C 67675562 LKLYQDDXLYBIIX-KRWDZBQOSA-N 327.428 2.933 0 50 EFAA Cc1ccccc1-c1ccc(CN2CCN[C@@H](C(=O)NC3CC3)C2)cc1 72154002 GDYCNEKCQADZPH-OAQYLSRUSA-N 349.478 2.714 0 50 EFAA CN(C)c1ccc(NC(=O)CCN2CCC[C@H]2CN2CCCC2)cc1 65430969 XLXURJSBLUTOLD-IBGZPJMESA-N 344.503 2.641 0 50 EFAA CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C 67713291 QFOCDFWNZICUKI-HNNXBMFYSA-N 346.450 2.967 0 50 EFAA CC1(C)CC[C@@H](CNC(=O)[C@]2(C)CCC(=O)NC2)c2ccccc21 281204590 BZGFZJNDSUFPND-VBKZILBWSA-N 328.456 2.874 0 50 EFAA COCCC1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCC1 123993158 CVJBZYCFIYHAIZ-UHFFFAOYSA-N 337.420 2.927 0 50 EFAA COc1cc2cc(CN(C)[C@H](C)c3ccon3)c(=O)[nH]c2cc1OC 67773204 GFNOGHCBUQGOFJ-LLVKDONJSA-N 343.383 2.726 0 50 EFAA CN1CCN(CCOCCOc2cc(Cl)ccc2Cl)CC1 22171340 IMVBFUPPLNLMLB-UHFFFAOYSA-N 333.259 2.636 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)NCCSc3nncn3C)c2c1 65460888 WWQXBPDVVVVRNO-UHFFFAOYSA-N 341.440 2.502 0 50 EFAA CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CCN(C)C1 67788550 AYBPXKIKPMHREL-INIZCTEOSA-N 339.483 2.721 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 280328321 UMFOBCQOBYTAAH-GFCCVEGCSA-N 335.400 2.628 0 50 EFAA CC(=O)[C@H](Sc1nn(C)c(=S)s1)C(=O)Nc1ccccc1 526234 DXMRZRZCCWGTLC-JTQLQIEISA-N 339.467 2.899 0 50 EFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)c3ncoc3C3CC3)C2)c1 72133045 TZZHUUQHFLNHIU-CYBMUJFWSA-N 340.379 2.955 0 50 EFAA CC(C)n1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cn1 39448072 HGDHCKDAARPBFJ-HXUWFJFHSA-N 342.487 2.533 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(c2ccc(F)cc2)=NO1 5029708 OFDDXNWIMRHVKC-MRXNPFEDSA-N 328.299 2.686 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3cc(Br)oc3C)C2)n1 331526072 GGLQXOOSSPUPSP-SECBINFHSA-N 340.177 2.672 0 50 EFAA CCCc1nc(C)c(CNC(=O)c2cn(-c3ccccc3)nn2)s1 72170004 BRZQPVSDOCJSHN-UHFFFAOYSA-N 341.440 2.915 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N2CCOCC3(CCC3)C2)c(C)c1 253419029 HEWSVZDWJJPHBC-UHFFFAOYSA-N 345.443 2.779 0 50 EFAA COCc1nsc(NC[C@@H]2CCN(c3ccccc3OC)C2)n1 253420386 UPUPEKQXEZFFJE-LBPRGKRZSA-N 334.445 2.632 0 50 EFAA CCc1oc(C(=O)N(Cc2cccnc2)C[C@@H]2CCNC2)cc1C 328633451 MAXFNTYQXZLVEO-MRXNPFEDSA-N 327.428 2.797 0 50 EFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ncccc1C(F)(F)F 328624546 CMRHSKBDEQSIKI-JSGCOSHPSA-N 340.349 2.844 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1cc(-c3ccccc3)on1)CCNC2 72409024 MQLNUCOTMOTMQT-UHFFFAOYSA-N 348.406 2.621 0 50 EFAA CC1(C)OC(=O)c2c1ccnc2N1CC[C@](O)(c2ccc(F)cc2)C1 375024819 YATARZQWJSNNEO-LJQANCHMSA-N 342.370 2.724 0 50 EFAA CC(C)Oc1cc(CN(C(=O)c2cccnc2O)C2CC2)ccn1 154497650 LUOLSUWFLBZVCW-UHFFFAOYSA-N 327.384 2.774 0 50 EFAA CCCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@H](C)CC)C[C@H]1C 239591417 BBHMZXGIEQNROY-BFYDXBDKSA-N 345.487 2.810 0 50 EFAA O=C(COc1ccc(F)cc1)NCC[C@H]1COc2ccccc2O1 214991110 OKUXTDVDEYQUSX-HNNXBMFYSA-N 331.343 2.551 0 50 EFAA O[C@H](COc1cccc2ccccc12)CN1CCCN2CCC[C@H]2C1 240668180 HMTSHPOHAHXROI-OALUTQOASA-N 340.467 2.750 0 50 EFAA Cc1nc2ccccc2n1C1CCN(C(=O)c2cc3n(n2)CCC3)CC1 333088135 NOVLIZINDHWJID-UHFFFAOYSA-N 349.438 2.965 0 50 EFAA Cc1noc(C)c1CSCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 127712423 FKRPDIIYXJAUSY-WMLDXEAASA-N 338.473 2.678 0 50 EFAA Cc1nc(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)cs1 72454393 NMESPPPGQKDWCD-UHFFFAOYSA-N 328.397 2.703 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC(C)(C)O1 242288047 YKRMLQJCGKJTPJ-OWCLPIDISA-N 344.459 2.707 0 50 EFAA CCc1csc(CNC(=O)c2ccc(NC3CCOCC3)nc2)n1 15066118 UIPNSIDSBCCCQU-UHFFFAOYSA-N 346.456 2.621 0 50 EFAA COC[C@@H]1CN(c2nc(-c3ccccn3)nc(C)c2C)CC(C)(C)O1 285151079 TXMUAAHHNDQKAD-HNNXBMFYSA-N 342.443 2.786 0 50 EFAA COCc1nc(CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 72154351 IZCCFBPIMFASMS-CQSZACIVSA-N 345.378 2.959 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)c1 130476382 DPUSZALXSHIPAF-KRWDZBQOSA-N 329.400 2.686 0 50 EFAA C[C@H](O)CN1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)[C@H](C)C1 286364405 YIEAYHMJOMFJIU-OLZOCXBDSA-N 341.402 2.717 0 50 EFAA Cc1ccccc1CCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 289810036 PJIJNLWOMCMSBT-LJQANCHMSA-N 344.480 2.852 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)[C@@H]2CCCC(C)(C)C2)(C(=O)O)C1(C)C 263532655 NFEYWOBRDOQVNS-VFVRVIDISA-N 325.449 2.977 0 50 EFAA CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263565604 FPCHQAFBIGGBKJ-YOEHRIQHSA-N 332.444 2.902 0 50 EFAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263565603 FPCHQAFBIGGBKJ-WMLDXEAASA-N 332.444 2.902 0 50 EFAA CN1CCC[C@H]1CCNC(=O)N1CCC(OCc2ccccc2)CC1 426429832 PPBHJKBMTCCURI-SFHVURJKSA-N 345.487 2.862 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)cc1 82096867 VXMKLRAALVZGAA-HNNXBMFYSA-N 338.407 2.887 0 50 EFAA COC(C)(C)CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1 426517561 JOKXLRLGBPEWQW-UHFFFAOYSA-N 343.427 2.924 0 50 EFAA CCc1nnc(CN(C)C(=O)CCn2c(CC)nc3ccccc32)o1 426538679 WOXKQJJCXBPVMF-UHFFFAOYSA-N 341.415 2.593 0 50 EFAA OCCn1ccc([C@H]2CCCN(Cc3nc4ccccc4s3)C2)n1 426647860 CJOYBXFVMCGQID-AWEZNQCLSA-N 342.468 2.865 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1COc2ccccc2C1 95528769 XGXPUYLWANXASV-MRXNPFEDSA-N 327.428 2.669 0 50 EFAA O=C(Cn1sc2ccccc2c1=O)N1CCC[C@]2(CCCO2)CC1 95530872 HCLSURMERZVQRI-SFHVURJKSA-N 346.452 2.625 0 50 EFAA Cc1nn(CC(=O)N[C@H](C)C2=CCCCC2)c(=O)c2ccccc12 91270007 ILCZWILYTKTBHD-CYBMUJFWSA-N 325.412 2.710 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2)[nH]n1 97775460 XVFSFQBJFJJRIE-LBPRGKRZSA-N 341.415 2.598 0 50 EFAA Cc1ccccc1[C@@H](C(=O)NCc1ccc(C(=O)O)s1)N(C)C 95502245 NSGJBYCTZIZBHG-HNNXBMFYSA-N 332.425 2.674 0 50 EFAA O=C(CCN1CCCCC1)N1CCc2[nH]c(-c3ccccc3)nc2C1 96139643 OMNIXXJHKUFGEW-UHFFFAOYSA-N 338.455 2.837 0 50 EFAA CCN(C)C1(CNC(=O)c2cc(OC)cc(C(=O)O)c2)CCCCC1 97532438 RWIXRYJRLLRLER-UHFFFAOYSA-N 348.443 2.778 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 95376374 IZMLNABSLIBEPL-INIZCTEOSA-N 347.507 2.666 0 50 EFAA CCCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 91914558 DPKBZFOQZZAPFP-CYBMUJFWSA-N 349.500 2.811 0 50 EFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NS(=O)(=O)C2CC2)c1C 91644710 PVNLWKLUDCDBMN-INIZCTEOSA-N 345.468 2.948 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)Cn1sc2ccccc2c1=O 95504025 JAQXJJMJZUQLFD-UHFFFAOYSA-N 343.408 2.587 0 50 EFAA CC(=O)c1ccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 180434201 OMWJUWFBPIJLDC-GJZGRUSLSA-N 331.460 2.610 0 50 EFAA CN(C)C[C@H](NC(=O)c1ccc(-c2ncn[nH]2)cc1)c1ccccc1 184046493 NSYROWRTOXCYAH-KRWDZBQOSA-N 335.411 2.504 0 50 EFAA FC(F)(F)CN1CC[C@H](NC[C@H]2CCO[C@H]2c2ccccc2)C1 252512227 OEYYPLLNFNQNLR-PMPSAXMXSA-N 328.378 2.990 0 50 EFAA O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CCCC[C@@H]1c1cn[nH]c1 183467122 BJCPLBBLMNJOLN-HZPDHXFCSA-N 348.447 2.722 0 50 EFAA O=C(NCCSC1CCCCC1)NC[C@H](O)c1cccc(O)c1 534659733 JCQXJYSDUOQXCX-INIZCTEOSA-N 338.473 2.791 0 50 EFAA Cc1cccc(Cl)c1OCCNC(=O)N(C)C[C@H]1CCCO1 534584226 SWJPWGSIGJYKQN-CYBMUJFWSA-N 326.824 2.848 0 50 EFAA Cn1cc(CCC(=O)NCCCc2nc3ccccc3s2)cn1 299756968 FKWAMHCGWXCAIW-UHFFFAOYSA-N 328.441 2.711 0 50 EFAA O=C1N[C@H](c2ncnn2-c2cccc3c2CCC3)Cc2ccccc21 828301283 ORSNQISGMCCKRO-KRWDZBQOSA-N 330.391 2.783 0 50 EFAA CC(C)CN1C[C@@H](C(=O)Nc2cccc(-c3cnc[nH]3)c2)CC1=O 952980508 ZYIDBKFESRYVHD-AWEZNQCLSA-N 326.400 2.520 0 50 EFAA CCc1nccn1CCNC(=O)c1ccccc1NC(=O)[C@H](C)CC 952969367 NALYNOABLYKMMZ-CQSZACIVSA-N 342.443 2.860 0 50 EFAA CN(Cc1ncccn1)c1ncnc(C(F)(F)F)c1Br 895061353 COOUSWXCRQPHTH-UHFFFAOYSA-N 348.126 2.684 0 50 EFAA O=C(O)CC1(NC(=O)c2ccc(N3CCCC3)nc2)CCCCC1 663120520 WSDBFAFJFQPGLP-UHFFFAOYSA-N 331.416 2.589 0 50 EFAA CCS(=O)(=O)CCn1nc2c3c(cccc31)C(=O)c1ccccc1-2 170003095 DCGYPHLQXDAHLG-UHFFFAOYSA-N 340.404 2.682 0 50 EFAA Cn1c(-c2ccc(NC(=O)[C@H]3C[C@H](F)CN3)cc2)nc2ccccc21 188685124 BYXJSXHEENVVNK-XJKSGUPXSA-N 338.386 2.879 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ncccn2)c(C)c1 639841622 YBSOGRNVCIEGOC-SJORKVTESA-N 327.428 2.670 0 50 EFAA COc1ccc(C2(CN[C@@H](C)c3nnnn3C)CCCCC2)cc1 189794382 CVSMMIGBYOKMDA-AWEZNQCLSA-N 329.448 2.771 0 50 EFAA Nc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1 193544419 ZYHUEJABEVBHKS-GFCCVEGCSA-N 325.338 2.716 0 50 EFAA O=C(O)c1cc2cc(CN3CCC[C@@H](n4cncn4)C3)ccc2o1 652410229 NVTXNLAEEUGJBQ-CQSZACIVSA-N 326.356 2.560 0 50 EFAA CCN(CC(=O)NCCc1cccc(Cl)c1)C[C@H]1CCCCO1 1529154064 WWFDLKULOHQQRL-QGZVFWFLSA-N 338.879 2.890 0 50 EFAA Cc1cc(C)c(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1613881741 DGFQNTMOEFZXCE-UYAOXDASSA-N 338.451 2.923 0 50 EFAA Cc1nc(N2CCCN(C(=O)CCc3cccnc3)CC2)sc1C 1772808313 MPUFWKFPNFLYMN-UHFFFAOYSA-N 344.484 2.826 0 50 EFAA O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 11946047 YPHBVTCOTFXBDN-GOSISDBHSA-N 348.406 2.553 0 50 EFAA O=C(Cc1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 12323376 YBXILOOIHGTSTP-UHFFFAOYSA-N 347.418 2.695 0 50 EFAA NC(=O)c1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 12406157 OWGHRSUVSUJPSA-OAHLLOKOSA-N 340.379 2.596 0 50 EFAA O=C(NCc1cccnc1N1CCOCC1)c1ccc(Cl)s1 12439883 MZCWXCRJIANHME-UHFFFAOYSA-N 337.832 2.563 0 50 EFAA CCc1ccc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 15879967 OLYHOLMIDVZHME-IAGOWNOFSA-N 340.423 2.919 0 50 EFAA Brc1cccc(CN2CCN(c3ncccn3)CC2)c1 19537634 NSGCPCHWOFJAAH-UHFFFAOYSA-N 333.233 2.561 0 50 EFAA CCn1cc(Cl)cc1C(=O)NCc1nc(C(=O)O)c(C)s1 1857530356 VPVSNBVHDLZOEZ-UHFFFAOYSA-N 327.793 2.555 0 50 EFAA COc1cc(-c2nccn2C[C@@H]2CC(=O)N(C3CCCC3)C2)ccn1 1857692542 JWKYVPAGFCJZRQ-AWEZNQCLSA-N 340.427 2.745 0 50 EFAA Clc1cncc(Cl)c1CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857727785 ZOUAOOUMMKBWPH-MLGOLLRUSA-N 342.270 2.683 0 50 EFAA Cc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1 1857740174 BSECSOVJEIRGMO-SLFFLAALSA-N 336.435 2.939 0 50 EFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c(C)o1 1857741575 ZBMVEUAGGDJQKP-JRBPQWBISA-N 344.455 2.516 0 50 EFAA N=C(O)[C@]1(O)CCCN(C(=O)CCn2ccc3cc(Cl)ccc32)C1 332021596 GGQQVHKMJLTZLL-KRWDZBQOSA-N 349.818 2.574 0 50 EFAA Cn1ccc2cc(CN3CC[C@H](O)[C@](CC4CC4)(C(=O)O)C3)ccc21 1875250070 VOOKFHLTMVSRQQ-AZUAARDMSA-N 342.439 2.616 0 50 EFAA C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@H]([C@@H](C)O)C1 408425950 IFGCMTBKGMUZHA-BREBYQMCSA-N 335.828 2.649 0 50 EFAA OC[C@@]1(c2ccccc2)CCCN(c2ncnc3c2ncn3C2CC2)C1 330295769 JORZWBXYNQZDBK-HXUWFJFHSA-N 349.438 2.692 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 242273442 YCSIPZFYSGKBII-KWCYVHTRSA-N 346.393 2.872 0 50 EFAA CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 454366321 AFELJZJWFRRWMM-APHBMKBZSA-N 338.835 2.678 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2Cl)CC1 671484963 SFTFOVDXVKINJY-LLVKDONJSA-N 326.799 2.526 0 50 EFAA CN(Cc1ccc(Br)o1)[C@@H](C(N)=O)c1cccc(F)c1 252485132 GNYNTLVRYIPZPM-CYBMUJFWSA-N 341.180 2.840 0 50 EFAA C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC(=O)N1CCC1 266225847 GRRNVYVLFVWTHW-VIFPVBQESA-N 336.240 2.702 0 50 EFAA C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 916971094 ZPTQQAODEOZHNF-YVEFUNNKSA-N 344.365 2.930 0 50 EFAA CC(C)COC(=O)N1CCCN(c2cc(C(F)F)ncn2)CC1 928995905 LVUVVRWGBNBKBD-UHFFFAOYSA-N 328.363 2.719 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2cnn[nH]2)C2CCCCC2)s1 1875358256 PEFGZDOOQYNJRM-UHFFFAOYSA-N 334.401 2.540 0 50 EFAA Cc1nc2sccn2c1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 876968664 JIWIRCMZYLIKEA-AWEZNQCLSA-N 342.424 2.617 0 50 EFAA CN1C(=O)C(C)(C)COc2ccc(NC(=O)CC3(O)CCCC3)cc21 886557788 PCVJCQZZCDZCQX-UHFFFAOYSA-N 346.427 2.702 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1-n1cccc1 887953872 OSWLJOCQZOSIAK-JXFKEZNVSA-N 337.423 2.513 0 50 EFAA O[C@@]1(Cc2ccc(F)cc2)CCN(Cc2cccn3ccnc23)C1 1775994180 XGVYDYWAPRAQJX-LJQANCHMSA-N 325.387 2.653 0 50 EFAA COc1cccc([C@H](C)CC(=O)NCc2nc(CC(=O)O)cs2)c1 1775990571 CDPOXKJIIWQCEH-LLVKDONJSA-N 348.424 2.589 0 50 EFAA CC(C)N(CC1CC1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1776002135 AYZFKHKSDKGELI-QGZVFWFLSA-N 343.471 2.649 0 50 EFAA Cc1cccc2c1CCN(Cc1cn(C)nc1C(F)F)[C@H]2C(=O)O 1777458808 PKQOIKNYBPPDAX-OAHLLOKOSA-N 335.354 2.850 0 50 EFAA O=S(=O)(N[C@@H]1CCCC[C@H]1NCc1ccco1)c1ccccc1 317241 OWODGFDXSCAERM-IAGOWNOFSA-N 334.441 2.659 0 50 EFAA CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)c3nc([C@@H](C)O)n[nH]3)cc2C1 2325803987 NPVGSUORNPKUON-HBNTYKKESA-N 348.472 2.925 0 50 EFAA O=C(N[C@@H]1CNCCOC1)c1ccc(-c2cccc3cccnc23)cc1 2325855685 LAJSKIHOANFQHP-GOSISDBHSA-N 347.418 2.620 0 50 EFAA CCCN(C(=O)Nc1cccc2c1OCCCO2)C1CCNCC1 868204979 DJYWOGCDRDMUQD-UHFFFAOYSA-N 333.432 2.844 0 50 EFAA O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)F)c1 905188918 PPWWGLYRBDAWCW-NSHDSACASA-N 333.356 2.642 0 50 EFAA Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[nH]n3)cn1)C(C)(C)C2 908439094 LERIMFPCRZZRHH-UHFFFAOYSA-N 348.410 2.547 0 50 EFAA Cc1cccc([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1C 245339512 UDFMVZKKXAOYAG-ULQDDVLXSA-N 331.460 2.527 0 50 EFAA O=C(N/C(=C/c1cccnc1)C(=O)N1CCCCCC1)c1ccco1 179208 PYRXFTMGNBIBJM-DTQAZKPQSA-N 339.395 2.848 0 50 EFAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 270140 JTHNFCKSQKOXTQ-UHFFFAOYSA-N 332.425 2.785 0 50 EFAA O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 1162681 YDOZTCDXIYFYKE-UHFFFAOYSA-N 348.399 2.863 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(Cl)c2C)CC[C@H]1O 2356138515 DBXOLEIQGJHZCM-RHSMWYFYSA-N 339.819 2.726 0 50 EFAA COc1ccc(-c2onc(NCC[C@H]3CCOC3)c2C(=O)O)cc1 2356145530 PDCCWTBKOBGMLW-NSHDSACASA-N 332.356 2.887 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(OC)c1OCC 2868615 HHMFJERVGVDQFB-HNNXBMFYSA-N 348.399 2.627 0 50 EFAA Cc1ccccc1-n1nnnc1SCC(=O)NC1CCCCC1 6700738 HONFDBKRLYVXFK-UHFFFAOYSA-N 331.445 2.512 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 245344209 YCUIMVLIRQESNB-RHSMWYFYSA-N 327.403 2.861 0 50 EFAA Cc1cc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)ccc1Br 1413856255 PCCRWMJDRYISLL-IACUBPJLSA-N 339.233 2.877 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c(C)o1 225686024 UPCZCVSAOOVBPD-CABCVRRESA-N 339.388 2.532 0 50 EFAA C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 115637743 IVGUOVGEKUAQQD-ZFWWWQNUSA-N 333.391 2.941 0 50 EFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H]2C=C[C@H]1C2 100051508 QKTOOJLUGWYJOZ-VDUILEQBSA-N 336.185 2.911 0 50 EFAA Clc1cc2c(cc1-c1nc3cc(-n4cnnn4)ccc3[nH]1)OCO2 67743151 SCRRFYFTQLTQDO-UHFFFAOYSA-N 340.730 2.588 0 50 EFAA CCOC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 25757103 CCLGNFZMWMCRCH-UHFFFAOYSA-N 334.416 2.920 0 50 EFAA CCNc1ncc(C(=O)N(C)[C@@H](C)c2ccc3c(c2)OCCO3)cn1 65507511 IZRHIAXAFLFUKA-LBPRGKRZSA-N 342.399 2.513 0 50 EFAA Cc1ccccc1NC(=O)CCNc1cc([C@H]2CCCNC2)ncn1 67921778 XYQFFHPYLHSDGS-HNNXBMFYSA-N 339.443 2.693 0 50 EFAA COc1cccc(SCC(=O)NC[C@H]2COc3ccccc3O2)c1 27661790 WJOLINXNQPHBHN-AWEZNQCLSA-N 345.420 2.744 0 50 EFAA NC(=O)[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 229158627 IYKDMGUJQPBCGC-YNEHKIRRSA-N 328.334 2.698 0 50 EFAA CN(Cc1ccc(CO)o1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328624556 CNAIQFOXLKKEPD-LLVKDONJSA-N 343.349 2.682 0 50 EFAA Cc1c([C@H]2[C@H](NCc3cc4ccccc4o3)CC(=O)N2C)cnn1C 328631657 RFIIPLXNJFQCCG-APWZRJJASA-N 338.411 2.536 0 50 EFAA C[C@@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328651933 WEGFVANJWKQPDZ-XIRDDKMYSA-N 334.439 2.536 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1)C1CC1 252497323 QDRYOLJAZAFKBK-UHFFFAOYSA-N 341.455 2.641 0 50 EFAA O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CCCOC1 171540125 GIIYMFLESVFYLG-STMXVASLSA-N 346.246 2.518 0 50 EFAA CCOC(=O)[C@H]1CCCCN1CC(=O)N1c2ccccc2CC[C@H]1C 252678632 GOUZDJABKPCGTR-CRAIPNDOSA-N 344.455 2.772 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cccn2C2CC2)N2CCOCC2)o1 180061069 AYWVTPUOTGQAQB-KRWDZBQOSA-N 343.427 2.528 0 50 EFAA O=C(Nc1cccc(-c2cccs2)c1)N1CCN2CCOC[C@@H]2C1 253427689 GKOLYNCAAAHLRW-INIZCTEOSA-N 343.452 2.963 0 50 EFAA Cn1nccc1[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1 363095424 DFTSDSJQGUGBEO-LBPRGKRZSA-N 334.370 2.516 0 50 EFAA NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 359131095 MBKNFRRNTUYFBN-AWEZNQCLSA-N 348.449 2.552 0 50 EFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC)c2)N1 34685242 AFAUJFNORYVHAJ-ZWKOTPCHSA-N 336.391 2.953 0 50 EFAA biogenic C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 363307886 WVMUDIXMJRUMFX-GDBMZVCRSA-N 329.419 2.829 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)c1 77337957 VKFDTBCCQXZNLL-AWEZNQCLSA-N 344.411 2.867 0 50 EFAA O=C(NCc1nnc(S)n1C1CC1)Nc1ccc2c(c1)CCC2 125249749 ZGGYUQMOKYLODH-UHFFFAOYSA-N 329.429 2.712 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@H](OCc3ccccc3F)C2)n[nH]1 366221637 GIAZNRPYSOHNPL-INIZCTEOSA-N 331.391 2.608 0 50 EFAA Cc1nc([C@@H]2CCCN(Cc3ccnn3-c3ccccc3)C2)cc(=O)[nH]1 72151900 FLTPRLFJNRXAPF-MRXNPFEDSA-N 349.438 2.644 0 50 EFAA COc1nc2c(cc1CN[C@@H]1CCSC1)C(=O)N(C1CCCC1)C2 71415808 XVDOPPZQXBNLMR-CYBMUJFWSA-N 347.484 2.584 0 50 EFAA Cn1ccnc1SCCn1ccnc1-c1ccccc1C(=O)O 71681980 JPMXOJKRGHLSFD-UHFFFAOYSA-N 328.397 2.774 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 281946034 HXLGVZPUJIKBOL-ZACQAIPSSA-N 335.419 2.919 0 50 EFAA COc1cccc([C@H](O)CN[C@@H]2CCC[C@H](c3ccnn3C)C2)c1 369631693 PXHOCTHVOZCUJO-ZSZQSSIHSA-N 329.444 2.778 0 50 EFAA C[C@H](NC(=O)CCCN1CCCC1)c1ccccc1-n1cccn1 219296619 XRODVPVAFHNWES-INIZCTEOSA-N 326.444 2.926 0 50 EFAA C[C@H]1Cc2cc(Cn3ccnc3-c3cc4n(n3)CCCNC4)ccc2O1 72436090 UYHUCXIQBOABLQ-AWEZNQCLSA-N 349.438 2.612 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 239367321 AIFRJBAJOKJOBQ-UVBJJODRSA-N 348.834 2.964 0 50 EFAA Cc1nn(C)c2ncc(NC3CCN(Cc4cccnc4)CC3)cc12 128229213 JBBJFXDKKDXSKX-UHFFFAOYSA-N 336.443 2.748 0 50 EFAA Cc1nnsc1CN(C)c1nc(C2CCCC2)nc2c1cnn2C 72156018 ZTPZWSWTZACFPE-UHFFFAOYSA-N 343.460 2.817 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)c2ccnc(C(=O)O)c2)c1 237302817 MPCOEBVOWSDFOB-INIZCTEOSA-N 326.352 2.766 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77420947 JKEGGAFKFGDIPS-OAHLLOKOSA-N 349.394 2.926 0 50 EFAA CCN1C[C@H](Cn2ccnc2-c2cc3c(cc2OC)CCC3)CC1=O 71771845 AFVHBUMQHLOEFK-CQSZACIVSA-N 339.439 2.916 0 50 EFAA C[C@H]1CN(c2cncc(-c3ccccc3)n2)C[C@@]2(CCCOC2)O1 241287449 LLIQSSLLJRMDJM-HNAYVOBHSA-N 325.412 2.918 0 50 EFAA CN(C)C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 241588073 OZJLUGKNQXZWCU-KLHDSHLOSA-N 337.851 2.562 0 50 EFAA O=C(NCc1cccnc1-n1cccn1)[C@H]1C[C@@]12CCc1ccccc12 175330013 NIXCZNDFRYVYDW-WIYYLYMNSA-N 344.418 2.788 0 50 EFAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2ncccc2c1 286722617 VFDYYJOVFGCELA-NVXWUHKLSA-N 325.412 2.658 0 50 EFAA COc1ccc(C(=O)c2coc3ccc(OCC(N)=O)cc23)cc1 226848724 IATQFRGACVVSFS-UHFFFAOYSA-N 325.320 2.537 0 50 EFAA CC(C)OCCNC(=O)N1CCC([C@@H](O)c2cccs2)CC1 426734519 PMGLXVUSQJOHCV-OAHLLOKOSA-N 326.462 2.628 0 50 EFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2ccccn2)CC1 82083943 VOBCJFSFZQPIFF-UHFFFAOYSA-N 342.395 2.588 0 50 EFAA CCc1ncc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cn1 95379810 SYTLWINBQRJFJV-CYBMUJFWSA-N 339.317 2.521 0 50 EFAA O[C@]12CCNC[C@H]1CN(Cc1ccccc1OC1CCCC1)CC2 91858856 FQUDVHXPTVXWIA-PXNSSMCTSA-N 330.472 2.554 0 50 EFAA COCc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)o1 96162478 QHZOFCFFMPOBBL-MRXNPFEDSA-N 342.439 2.986 0 50 EFAA CC(C)OC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91973846 BYWJAQMCVJDQGJ-UHFFFAOYSA-N 345.443 2.831 0 50 EFAA Cc1cn2c(C(=O)N[C@@H](C)c3nncn3C3CCCC3)csc2n1 240662526 PLVTXNBUKDSPDT-NSHDSACASA-N 344.444 2.902 0 50 EFAA CCCn1ncc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1C 244748512 OIZSBPXJYOQNJV-ZHALLVOQSA-N 341.455 2.714 0 50 EFAA CCCCN(C(=O)Nc1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1 181193601 LSWJAJWHHJBITC-ZDUSSCGKSA-N 349.456 2.989 0 50 EFAA CC(C)c1nc(CN(C)[C@@H](C)C(=O)Nc2nncs2)cs1 244873215 WMAFTLBGMJQROU-VIFPVBQESA-N 325.463 2.577 0 50 EFAA C[C@@H]1CCN2c3ccccc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 245253705 KRMAYBGNWGWWGJ-IUODEOHRSA-N 329.396 2.670 0 50 EFAA C[C@H]1CCCCN1CCNC(=O)Nc1ncn(C2CCCCC2)n1 184525010 WNSQFWMMGWKNDE-AWEZNQCLSA-N 334.468 2.779 0 50 EFAA COc1cc2c(cc1CNC(=O)N1CC(c3ccncc3)C1)CCC2 534666166 SGDZNPDAOONYIC-UHFFFAOYSA-N 337.423 2.888 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCc3ccccc3F)[C@H]2C1 299779145 UHSMYESMFWVZAD-HHXXYDBFSA-N 335.419 2.943 0 50 EFAA Cc1csc([C@H](C)CNC(=O)CC2=CSC3=NCCCN23)n1 299777229 BKAMBKBVNUGDEG-SNVBAGLBSA-N 336.486 2.711 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1=O 299791737 GLQIVHAHZGVGOR-AWEZNQCLSA-N 344.415 2.544 0 50 EFAA COc1ncc(CN(C)Cc2cccc(-n3nc(C)cc3C)c2)cn1 824852234 XYBKOGLNZQYBRP-UHFFFAOYSA-N 337.427 2.920 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cnccn2)C1 1413655774 COOTTWUKVBAGDP-CZUORRHYSA-N 329.375 2.789 0 50 EFAA Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)CCc2cnccn2)c1 271467774 KKDHBOGZRWLHLV-INIZCTEOSA-N 326.444 2.909 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCSC3(CCOCC3)C2)cc1 276322465 PBWZOJASMAOPFP-UHFFFAOYSA-N 341.498 2.583 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cccnc1OCC(F)(F)F 277248513 POVJAPQKBWSPGI-STQMWFEESA-N 346.349 2.844 0 50 EFAA CCc1cc(=O)[nH]c(-c2ccc(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)nc2)n1 169994501 NLTCPPQIQFGNKB-XKQJLSEDSA-N 340.427 2.620 0 50 EFAA O=C(Nc1ccc(-n2cccn2)cc1)c1cccn1C1CCNCC1 169974173 JDNVKIIANUOGAK-UHFFFAOYSA-N 335.411 2.851 0 50 EFAA C[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1nnnn1C1CC1 170090380 MREDBBMNKURODS-OLZOCXBDSA-N 340.431 2.547 0 50 EFAA CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(CN)nc2C)C1(C)C 170591324 DITGWJQWXLIYTP-IRXDYDNUSA-N 333.476 2.905 0 50 EFAA CN(C(=O)c1ccnn1CC(F)F)[C@@H]1CCCN(c2ccccc2)C1 279100372 TUNBPNJHZGQPEZ-OAHLLOKOSA-N 348.397 2.889 0 50 EFAA Cc1cc(C(=O)NC2CCN(Cc3noc(C(C)C)n3)CC2)c(C)o1 170775378 OHMSZMJXULDEPJ-UHFFFAOYSA-N 346.431 2.797 0 50 EFAA COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc3ncsc3c2)CC1 187437153 QKXYHIMGRPMCBZ-LLVKDONJSA-N 347.440 2.893 0 50 EFAA Nc1ccc(CC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)nc1 638468600 LELNBNKVJYDPBJ-CYBMUJFWSA-N 331.366 2.891 0 50 EFAA Cc1cnc2c(c1)N(C(=O)[C@@H](C)NC(=O)CC1CCCCC1)CCO2 189920681 XGIGFHWGQKVNHY-CQSZACIVSA-N 345.443 2.591 0 50 EFAA Cc1c[nH]nc1C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 669437833 ZMSXAIJHJCXZEJ-CQSZACIVSA-N 326.444 2.880 0 50 EFAA O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ncc(F)cc1F 192159905 QVJUXXXGCDOYBY-JTQLQIEISA-N 339.292 2.647 0 50 EFAA Cc1nn(C)c(C)c1CCNC(=O)N1CCC(c2ccncc2)CC1 192322562 UHLSDVKVFCFFHI-UHFFFAOYSA-N 341.459 2.564 0 50 EFAA NC(=O)c1cccc(CNCc2c(F)cccc2Br)c1 192458462 NZXCMVUWFLIWSD-UHFFFAOYSA-N 337.192 2.977 0 50 EFAA O=C1CCCCCCN1CC(=O)N(Cc1ccco1)C[C@H]1CCCO1 194257282 DKWBFLWYLHEGSR-QGZVFWFLSA-N 348.443 2.580 0 50 EFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCC[C@@H]1c1ccccc1 195557023 VIMSIKLYCGSJRD-BRWVUGGUSA-N 340.423 2.525 0 50 EFAA CCn1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529192162 PTFYUYLAOSOKNA-ZWKOTPCHSA-N 325.412 2.895 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1cc(F)ccc1F)C2 1704298279 IYJOODADUVLYCG-HZPDHXFCSA-N 345.411 2.935 0 50 EFAA CCN(CCOc1ccc(C)c(C)c1)Cc1cnc(C(=O)O)cn1 1772708433 HBGSFPNOLZTJIZ-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA CC(C)c1nc(N2CCCN(C(=O)c3ccncc3Cl)CC2)no1 1772819277 RQZWLELLYUPXTA-UHFFFAOYSA-N 349.822 2.594 0 50 EFAA CSc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1 13669606 UOIWVICMXUTVFC-UHFFFAOYSA-N 336.482 2.823 0 50 EFAA Cc1cccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 12001915 AIERFPVZIMEAGA-UHFFFAOYSA-N 344.436 2.600 0 50 EFAA CC1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)O)CC1 14013081 HKTHUVAGWJPQPF-UHFFFAOYSA-N 332.400 2.752 0 50 EFAA CC(C)CN1C(=O)N(C)C2(CCN(Cc3ccccc3)CC2)C1=O 14740504 MMRPNSLGJUFRRM-UHFFFAOYSA-N 329.444 2.571 0 50 EFAA COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OC 14779587 KWMAWXWUGIEVDG-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro Cc1c(CN2CCC(CO)(CCc3ccccc3)CC2)cnn1C 15063404 LHDMKVIQSYWXGL-UHFFFAOYSA-N 327.472 2.936 0 50 EFAA O=C(NCCN1CCOCC1)c1sc2cc(F)ccc2c1Cl 19537385 MQTFAQSFIGKJAQ-UHFFFAOYSA-N 342.823 2.756 0 50 EFAA CN1c2cc(C(=O)NCc3ccccc3)ccc2C(=O)N2CCC[C@H]21 169765875 BBZCJGGMKNUVDB-SFHVURJKSA-N 335.407 2.629 0 50 EFAA COc1cnc(C)cc1C(=O)NCc1ccc(-n2ccnc2C)cc1 1857674235 ZLQMMZZTTZHJGP-UHFFFAOYSA-N 336.395 2.823 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc2nc(C)[nH]c2c1 1857678633 IQCWVEOQESSOMY-URKNILKWSA-N 341.411 2.658 0 50 EFAA CCCCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CC=CC3)C2)C1 1857683852 OQMLLLPUBOVHGA-UYAOXDASSA-N 334.504 2.818 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3ccc(C(C)=O)cn3)C[C@H]12 1857733368 HOYDBSBGLALOQN-RPZXMPESSA-N 328.412 2.722 0 50 EFAA O=C(NC1(C(=O)O)CCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 237952416 PUTDOOJMJJQRCV-MNOVXSKESA-N 327.302 2.932 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@@H]2CO)C1 306142806 XKJXXKAAKCOIQB-YLJYHZDGSA-N 346.471 2.738 0 50 EFAA CC[C@H](C(N)=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 245381204 AUYIABLPGAOKSD-TZMCWYRMSA-N 348.834 2.833 0 50 EFAA Cn1ncc(Cl)c1CNc1ccc(NS(C)(=O)=O)c(Cl)c1 132248476 XWKHSCFUOKIPEL-UHFFFAOYSA-N 349.243 2.711 0 50 EFAA CN1CCC[C@@H](CN=c2cc[nH]c3ccccc23)[C@@H]1c1ccnn1C 344485318 VGYWFLQGDOPCEE-MGPUTAFESA-N 335.455 2.885 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 136117744 CLCIXUXLZMRSTG-GFCCVEGCSA-N 325.792 2.822 0 50 EFAA COc1cc(F)c(F)cc1NC(=O)c1cn(Cc2ccccc2)nn1 355426354 KNHLQJKXFSTPLB-UHFFFAOYSA-N 344.321 2.866 0 50 EFAA C[C@H]1CN(c2nc(-c3ccccc3)ns2)C[C@]2(CCCOC2)O1 253432027 VJGAXDPTYZEHOO-GUYCJALGSA-N 331.441 2.979 0 50 EFAA O=C(NCC(=O)N1CC(Cc2ccccc2Cl)C1)c1ccccc1 374531672 VIYBQNOVPVKLFM-UHFFFAOYSA-N 342.826 2.771 0 50 EFAA O[C@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC12CC2 375306503 MQQZJZHJMHBLCM-ZDUSSCGKSA-N 330.388 2.558 0 50 EFAA C[C@](NC(=O)[C@@H]1CCCO1)(C(=O)O)c1ccc(Cl)c(Cl)c1 263152903 XMUUTGGZWJDYET-SMDDNHRTSA-N 332.183 2.588 0 50 EFAA COCCn1cc(Nc2nc(-c3cccnc3)nc3c2CCC3)cn1 266994743 ASCARBOKYYLCOP-UHFFFAOYSA-N 336.399 2.614 0 50 EFAA CN1C(=O)CCC[C@H]1C(=O)Nc1cccnc1OCc1ccccc1 906293575 QAAPBGAEYYRQTC-INIZCTEOSA-N 339.395 2.610 0 50 EFAA COc1cc(Cl)c(C)cc1NC(=O)CN1Cc2c[nH]nc2[C@@H](C)C1 931457217 ICSJYNBXPAANHY-NSHDSACASA-N 348.834 2.938 0 50 EFAA COCc1ccc([C@@H]2COCCN2Cc2nnsc2Cl)o1 932336022 JWCZOJNIUJAOTP-NSHDSACASA-N 329.809 2.504 0 50 EFAA CCn1ncc2c1CCC[C@@H]2NC(=O)c1c(F)ccc2c1OCO2 934077308 NWMTUFGTARYFAP-LBPRGKRZSA-N 331.347 2.578 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(C)nc3C)C2)o1 952890828 JWARRJNQHYAMRR-KGLIPLIRSA-N 328.416 2.785 0 50 EFAA Cc1ccnc(NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2cnn(C)c2)c1 952852490 BTDIYQZEXSEKRV-KUHUBIRLSA-N 339.443 2.678 0 50 EFAA c1cn(-c2ccnc(N[C@@H]3CCOC4(CCSCC4)C3)n2)cn1 1875273549 JPLYTRAPAOMVGY-CYBMUJFWSA-N 331.445 2.519 0 50 EFAA CC(=O)N[C@H](C(=O)N1C[C@@H]2C(c3ccccc3C)[C@H]2C1)C1CCCC1 1875313296 OKBNLYRHEHCGKT-BJLQDIEVSA-N 340.467 2.862 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCOc2ccccc2Cl)C1 888077838 XYAHRHQTGGIIAR-TZMCWYRMSA-N 349.818 2.821 0 50 EFAA C[C@@H](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775992492 TVDLNSJXKNGTDJ-JKSUJKDBSA-N 336.480 2.898 0 50 EFAA O=C([C@H]1CC12CCNCC2)N(Cc1ccccc1)CC1CCOCC1 237989995 TWQQNZYMIZOABI-LJQANCHMSA-N 342.483 2.832 0 50 EFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 612079 IEUHVZIXYKYEGV-GOSISDBHSA-N 327.428 2.664 0 50 EFAA CC[C@H](Sc1nc(OC)cc(=O)[nH]1)C(=O)N[C@@H](C)c1ccccc1 4632361 XQKBSNWLMKKCFF-AAEUAGOBSA-N 347.440 2.527 0 50 EFAA CC1(C)OC2(CCN(C[C@@H]3CC[C@@]4(C3)CC4(F)F)CC2)NC1=O 2325778701 KMHSOYACEBRFFD-IUODEOHRSA-N 328.403 2.529 0 50 EFAA Nc1ccnc2c1CN(c1ccnc(CCc3ccccc3)n1)CC2 2325780519 PHDTWMCKHAYLEY-UHFFFAOYSA-N 331.423 2.802 0 50 EFAA CN(C(=O)Cc1ccc2[nH]ccc2c1)[C@@H]1CCN(c2ccncc2)C1 2325798013 HCFYIEZKSDQIAM-GOSISDBHSA-N 334.423 2.843 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)Cc1cnc[nH]1 2325802294 XLRIXYMHTUREPJ-ZJUUUORDSA-N 325.771 2.717 0 50 EFAA COc1ccccc1/C=C/[C@H]1NC(=O)NC(C)=C1C(=O)OC(C)C 202261 GVORKDGOPRGWBV-ATWMFIQVSA-N 330.384 2.615 0 50 EFAA COc1ccc(Cl)cc1-c1cnc2c(N3CCOCC3)nccn12 2356139077 MJNYBMBMDCOREO-UHFFFAOYSA-N 344.802 2.895 0 50 EFAA COc1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1C 2356144014 GQXIIWJKUXIQRE-UHFFFAOYSA-N 338.411 2.674 0 50 EFAA CN1CCC[C@](CN2CCCC2)(N(C)C(=O)OCc2ccccc2)C1 4268960 OUPWYLQJXVISKC-FQEVSTJZSA-N 345.487 2.815 0 50 EFAA Cc1c(CN[C@@H](C)CCCC(C)(C)O)c2ccccc2n1CC(N)=O 55154327 ULYGMNJRZWXEIZ-AWEZNQCLSA-N 345.487 2.854 0 50 EFAA COc1ccccc1CN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)C1CC1 55369698 LLHDRQRUUYYEIA-INIZCTEOSA-N 344.455 2.691 0 50 EFAA COCc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 225539948 BHWIQOXMKKILOT-QZTJIDSGSA-N 329.371 2.920 0 50 EFAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc12 9225508 XTSQBPYKRQYRGP-BZSNNMDCSA-N 337.423 2.568 0 50 EFAA O=C(CSCc1nnnn1-c1ccccc1)Nc1ccccc1 9305223 GUIBDTIRAOTING-UHFFFAOYSA-N 325.397 2.534 0 50 EFAA O[C@H](CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21 22063807 VKKSFIKVBRODPF-OAHLLOKOSA-N 343.858 2.714 0 50 EFAA COc1ccc(NC(=O)CN2CCN(c3ccccc3C)CC2)cc1 55260863 PCHCWGOWRPEZFI-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA C[C@H](O)C[C@@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@H]1C 246704131 XLRILPPSDCKFGB-RYRKJORJSA-N 330.472 2.980 0 50 EFAA Cc1nn(CC(=O)O)c(C)c1-c1ccc([C@H](C)N2CCOCC2)cc1 67459547 KGWIRGZVTQRVDZ-AWEZNQCLSA-N 343.427 2.645 0 50 EFAA Cc1cnn(CCN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 134765895 MKQWLEBRBCZPCY-MSOLQXFVSA-N 348.878 2.506 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2cc3ccccc3oc2=O)no1 67724718 VXGMBZWDMMFYPJ-UHFFFAOYSA-N 327.340 2.572 0 50 EFAA CN(CC[C@@H]1CCCCO1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67983519 OZFBJLYXNBKACY-HNNXBMFYSA-N 344.411 2.648 0 50 EFAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(OCc2ccccn2)cc1 65398542 NLJMQCMKLPZYPA-MSOLQXFVSA-N 337.423 2.514 0 50 EFAA CCCn1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c(C)n1 22851256 FIDWVZVRZUXDAP-HXUWFJFHSA-N 348.535 2.803 0 50 EFAA Cc1ncc(CO)c(CN2CCC([C@H](O)c3cccs3)CC2)c1O 67587500 XZVBFNOTHXHMBI-SFHVURJKSA-N 348.468 2.595 0 50 EFAA CCN(CC)Cc1cc([C@H]2CC(=O)Nc3n[nH]cc32)ccc1OC 65396316 WKIUCHYZXKTAJX-CQSZACIVSA-N 328.416 2.734 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(F)ccc12 12375157 STBUUOGXPODQQP-UHFFFAOYSA-N 326.283 2.857 0 50 EFAA CCN(Cc1cccc(NC(=O)c2cn[nH]c2)c1)C(=O)C(F)(F)F 171190775 BVCDUJSXLAADRU-UHFFFAOYSA-N 340.305 2.573 0 50 EFAA Cc1cnccc1-n1nc(C2CC2)nc1-c1cnc2ccnn2c1C 65375389 YUWWUGCVWJTVCX-UHFFFAOYSA-N 331.383 2.866 0 50 EFAA CCN(CC)CCc1ccc(NC(=O)NCCn2cc(C)cn2)cc1 252488543 IUNQWVYNSYFLGD-UHFFFAOYSA-N 343.475 2.898 0 50 EFAA Fc1cccc([C@@H]2CN(c3cnccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72152368 NVUJAKRKFBBQGA-GDIGMMSISA-N 342.393 2.821 0 50 EFAA CCNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 71388658 PNZPASRSXXVDMG-UHFFFAOYSA-N 343.515 2.808 0 50 EFAA CC(C)n1cc(C(=O)N2CCC[C@@H](C(=O)c3cccnc3)C2)cn1 77440224 DMSVRRSCUQXZLA-OAHLLOKOSA-N 326.400 2.594 0 50 EFAA C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@H]1CCOC1 253425290 SBJVADJOPHLFEE-GWCFXTLKSA-N 341.201 2.990 0 50 EFAA O=C(Cc1cccnc1)N1CCCN(CCCc2ccccc2)CC1 77355989 DSMBQLNZBCUZOE-UHFFFAOYSA-N 337.467 2.791 0 50 EFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 253623486 WNZLQHSSDHIUPF-ZIAGYGMSSA-N 329.331 2.777 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N[C@@H]1C[C@@H]1c1cccc(F)c1 363131923 UIJGUVAWPBEHBK-GVDBMIGSSA-N 344.390 2.879 0 50 EFAA CC(C)c1nn(C)cc1Nc1nc(O)c2cnn(-c3ccccc3)c2n1 360268637 UVYLGZWVQOLVRT-UHFFFAOYSA-N 349.398 3.122 0 50 EFAA COCc1ccc(C(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)o1 77406575 NUPMACHILFXATM-UHFFFAOYSA-N 342.395 2.532 0 50 EFAA CN(C)c1ncc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)cn1 72478515 DTDBPGJOKVMNPS-SFHVURJKSA-N 338.455 2.566 0 50 EFAA COc1cc(F)ccc1N1CCN(C(=O)C2CC(F)(F)C2)CC1 440542218 XORGYINFKXURFQ-UHFFFAOYSA-N 328.334 2.528 0 50 EFAA N[C@@H]1CC[C@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1 215251661 ABXLBMILKCMIOR-GXTWGEPZSA-N 344.846 2.742 0 50 EFAA COc1cccc(-c2cc(C(=O)N[C@H]3COc4ccccc43)[nH]n2)c1 155948164 IHGOTQJHGWLHAC-KRWDZBQOSA-N 335.363 2.949 0 50 EFAA CN(Cc1cccc(OCc2ccccn2)c1)C[C@H]1COCCO1 215448938 FIRVUNFEGRTMMI-IBGZPJMESA-N 328.412 2.508 0 50 EFAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCSc2ncccc21 370639246 DUGTVNYAVGWLKS-ZIAGYGMSSA-N 340.452 2.688 0 50 EFAA CC(C)n1ncc2c1C[C@H](NC(=O)c1cc3nc[nH]c3cc1F)CC2 333485083 QASNPVNDLYSOOM-GFCCVEGCSA-N 341.390 2.767 0 50 EFAA O=C(CCN1CCCO1)NCc1cccnc1Oc1ccccc1 15065647 DGCZTRUFLSBMBY-UHFFFAOYSA-N 327.384 2.518 0 50 EFAA NC[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 333646449 JAYAWJODNLQVRH-CKEIUWERSA-N 341.459 2.927 0 50 EFAA CCn1c(CN2CCC[C@H](c3nc[nH]n3)C2)nc2cc(F)ccc21 374049986 LWHDOTDSWXRRLV-LBPRGKRZSA-N 328.395 2.693 0 50 EFAA CC(C)CN1CCC[C@H](CNC(=O)N2CCC[C@H](c3ccn[nH]3)C2)C1 130875232 YKKDXCQJHQWWDZ-SJORKVTESA-N 347.507 2.667 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(O)c(Cl)c1 217404817 CKSXZCIYSGSTHC-HNNXBMFYSA-N 345.782 2.626 0 50 EFAA COc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)c(C)n1 129347197 OFUVOBYESYJHON-LJQANCHMSA-N 343.427 2.686 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 237998913 WKXOZRWJWACSQW-INIZCTEOSA-N 329.327 2.738 0 50 EFAA Cn1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1-c1ccccc1 262921855 ITGPTTPSPSGUFQ-UHFFFAOYSA-N 341.411 2.852 0 50 EFAA C[C@H](c1ccccc1)[C@@H](O)CN(C)CC(=O)Nc1cc(F)cc(F)c1 450557077 VITIIWFDEZHRNS-ACJLOTCBSA-N 348.393 3.000 0 50 EFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)Nc1cccnc1 337681570 FDGAOZPDQPVHEO-UONOGXRCSA-N 329.787 2.593 0 50 EFAA O=C(Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3)c1ccco1 17068569 JYYHMEDKTHLMQS-UHFFFAOYSA-N 333.394 2.586 0 50 EFAA O=C(NCc1cccc(F)c1)N1CCCO[C@@H](CN2CCCCC2)C1 426443529 ZGBFKTMENCUXRK-SFHVURJKSA-N 349.450 2.612 0 50 EFAA CCn1c(CCN[C@@H]2CCOC3(CCOCC3)C2)nc2ccccc21 82109288 RTAZLUMOAAZBSI-MRXNPFEDSA-N 343.471 2.917 0 50 EFAA CCC1(CC)[C@@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1OC 178087448 BXSASDNZFORWQU-ZWKOTPCHSA-N 346.471 2.847 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)CN1CC2(CCCCC2)CC1=O 95512732 WHUWMUSAWVVLLK-CYBMUJFWSA-N 335.473 2.845 0 50 EFAA CCN1CCC(CCNC(=O)N2CC(Oc3ccccc3F)C2)CC1 426478640 AURLKQVBKMTSIC-UHFFFAOYSA-N 349.450 2.720 0 50 EFAA Cc1cccc(N2C[C@H](C)N(Cc3ccc(CCN)cc3)CC2=O)c1 91793983 HOCOHYBBPGHPJX-KRWDZBQOSA-N 337.467 2.734 0 50 EFAA CCOc1ccc(C(=O)NC[C@H]2COc3cc(OC)ccc3C2)o1 95525976 ZDWOQHHRIFBYMW-LBPRGKRZSA-N 331.368 2.668 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCCCc3c(OC)cccc32)n1 291536021 UOHLEXYRBZFBSM-UHFFFAOYSA-N 326.400 2.818 0 50 EFAA CCc1cnc(N)nc1NC[C@@H](c1cccnc1)N1CCCCC1 95392863 YULPDOXZJFAZBV-INIZCTEOSA-N 326.448 2.655 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(CCc1ccccc1)C2 91769367 KUAQLPPOTMKDSJ-NRFANRHFSA-N 342.483 2.723 0 50 EFAA Cc1nc(CCNC(=O)[C@@H]2CCCN(C(C)C)C2)sc1Cl 95524488 YDSQIDFXAQHMFX-GFCCVEGCSA-N 329.897 2.884 0 50 EFAA COCCn1cnnc1[C@H](C)NC(=O)c1oc2cc(C)ccc2c1C 91381174 KSZYWBWUNWSNTC-ZDUSSCGKSA-N 342.399 2.779 0 50 EFAA COc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91468929 NKVYYBFBZFFPQB-GDBMZVCRSA-N 332.419 2.781 0 50 EFAA OCCn1nc(-c2c[nH]c3ccccc23)nc1-c1cc(C2CC2)n[nH]1 96180517 HFFSUVJJRPRABR-UHFFFAOYSA-N 334.383 2.686 0 50 EFAA Cc1c(NC(=O)N2CCCC[C@@H]2CO)cccc1C(=O)N1CCCC1 95526645 XIUBMDGMCMWCNU-OAHLLOKOSA-N 345.443 2.610 0 50 EFAA COc1ccc(F)c([C@@H](C(=O)O)N(C)Cc2nc(C(C)C)no2)c1 95380085 OEUSFUMSXHMXPN-AWEZNQCLSA-N 337.351 2.598 0 50 EFAA CC(C)C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ncnn1C 91725468 UTUUVDSEEMHMGA-HNNXBMFYSA-N 343.406 2.673 0 50 EFAA O=C(CN1CCCC[C@@H]1CCn1cccn1)Nc1ccc(F)cc1 244795144 RALZDRVBTPLKIK-QGZVFWFLSA-N 330.407 2.906 0 50 EFAA CCOc1ccc(CCCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1C 244724742 MZWFECAANJDYLJ-HWWDLCQESA-N 331.412 2.505 0 50 EFAA c1cncc(O[C@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)c1 181435541 IQYJARMFDZNDMS-INIZCTEOSA-N 325.416 2.539 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2nc(=N)cc[nH]2)cc1 534590194 CIVUQTWBLSQHIZ-MRXNPFEDSA-N 340.427 2.587 0 50 EFAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@H](Cn2ccnc2)C1 1940193747 XRIBRGZFYVUEOW-CQSZACIVSA-N 328.416 2.660 0 50 EFAA CSc1ncc(CNC(=O)CCCOCc2ccccc2)n1C 824959198 LRANVOPUPBDTTL-UHFFFAOYSA-N 333.457 2.755 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)ccc2O1 952988180 BVAYNBQXIBYKOR-GFCCVEGCSA-N 345.420 2.595 0 50 EFAA COC(=O)c1cccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1 71297238 XPVXITLRWCRHEC-CJNGLKHVSA-N 348.406 2.680 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 408519896 MWBVQVLVWQQURT-ZWQIFLOQSA-N 345.439 2.809 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Br)c2)C1 408517501 JREPQUWWIZYJFC-SECBINFHSA-N 347.640 2.996 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Nc1ccccc1S(C)(=O)=O)C2 271106254 OTZGDHAKUDFJEF-ZDUSSCGKSA-N 333.409 2.514 0 50 EFAA Cc1noc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1 269661753 OYHDIFDHPRTJOV-LLVKDONJSA-N 334.807 2.614 0 50 EFAA Cc1nc(C2(NC(=O)Nc3cccc(-c4cc[nH]n4)c3)CCC2)no1 185950547 LPZOPCOXJJJJDJ-UHFFFAOYSA-N 338.371 2.969 0 50 EFAA Cc1cc(C)cc(C2(C(=O)N3CCC(Cn4cncn4)CC3)CC2)c1 275140368 RDRKRRFLROHPTK-UHFFFAOYSA-N 338.455 2.865 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H](C)c3cccs3)CCO2)o1 275305410 HYSAGCIHDDGYQA-RYUDHWBXSA-N 335.429 2.958 0 50 EFAA O=C(c1ccoc1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275614315 LZAQVTTZRSIYIW-OAHLLOKOSA-N 327.384 2.568 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccncn1 276405509 LEMNEOSRNJDMKS-NSHDSACASA-N 337.210 2.792 0 50 EFAA O=C(Cc1cccc(F)c1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186583678 IEKCEZHHFZGXNQ-LJQANCHMSA-N 341.430 2.934 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCCC3)C1 190010259 OWSNVPYINIXAIZ-CHWSQXEVSA-N 347.440 2.921 0 50 EFAA CCCc1csc(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)n1 190142656 FIXQYFAZIXXWRZ-CQSZACIVSA-N 349.460 2.917 0 50 EFAA CO[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)C[C@H]1c1cnn[nH]1 643767207 NCLXKFXICCAACH-GOEBONIOSA-N 343.818 2.621 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1C1CC1 193066865 GGRACKDKLWUGMQ-CQSZACIVSA-N 327.432 2.588 0 50 EFAA CO[C@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1ccccc1 679637080 HZRHIDCOOGFUJK-INIZCTEOSA-N 326.396 2.908 0 50 EFAA CCN1CCO[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O 546206 ZGQMEJOFVVNQEK-GFCCVEGCSA-N 331.199 2.569 0 50 EFAA Cc1ccc(OC2CN(Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 1506410828 UQOVOMMIVKCNJN-UHFFFAOYSA-N 331.437 2.662 0 50 EFAA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)sc3nc12 426891 OLBDVFXIADCOFX-UHFFFAOYSA-N 327.409 2.890 0 50 EFAA CN(C(=O)Cc1ccnc(O)c1Br)c1ccccc1F 390835461 OHYAPRHJGAFPLW-UHFFFAOYSA-N 339.164 2.894 0 50 EFAA CCCCS(=O)(=O)N1CCCN(C(=O)C2CCCCCC2)CC1 1772808859 CUVVKGNCQIWRBX-UHFFFAOYSA-N 344.521 2.621 0 50 EFAA O=C(NCc1cccnc1)c1cc(COc2ccc(F)cc2F)on1 11665133 DODMKKWHEYQHHK-UHFFFAOYSA-N 345.305 2.857 0 50 EFAA O=C(NCc1cccnc1-n1cnc2ccccc21)[C@H]1CCCCO1 12445044 WQKREEDRHDFZSY-QGZVFWFLSA-N 336.395 2.606 0 50 EFAA O=C(NCc1ccccn1)c1coc(COc2ccccc2F)n1 12449287 RVCPVBKARXNQNI-UHFFFAOYSA-N 327.315 2.718 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 12762513 RMZYRMQLPVVICF-HNNXBMFYSA-N 330.457 2.583 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccccc1 13612700 ZBXHNBICQBILTG-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA COc1cccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)c1 19535852 LEUSKILITWEBSR-GOSISDBHSA-N 339.439 2.761 0 50 EFAA Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 4832042 WAICFQVHFLQDTC-UHFFFAOYSA-N 337.423 2.635 0 50 EFAA CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCC(=O)O 6703235 QZVAVEILBJHFOB-UHFFFAOYSA-N 340.379 2.762 0 50 EFAA N=c1[nH]c2cc(C(=O)N[C@H]3CC(=O)Nc4ccccc43)ccc2s1 1857715575 YGIASHVJDCPLJU-LBPRGKRZSA-N 338.392 2.522 0 50 EFAA COc1c(C(=O)O)cc(-c2ccc3c(c2)OCCO3)c(OC)c1OC 1875245243 RBAGEORXECVBGV-UHFFFAOYSA-N 346.335 2.849 0 50 EFAA c1ccc([C@H]2COC[C@H]3CN(c4noc(C5CCC5)n4)CCN23)cc1 1875243536 LAYHTABYFZBWCC-IAGOWNOFSA-N 340.427 2.599 0 50 EFAA Cc1cccn2c(CNC[C@@H]3CCN(C)[C@H]3c3cccnc3)cnc12 328621129 AGPYKFOFTZUQTC-HKUYNNGSSA-N 335.455 2.820 0 50 EFAA COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@H](C)N)C1 237108140 QVAIWNGNSYPSTM-QWHCGFSZSA-N 340.851 2.565 0 50 EFAA C[C@H]1CCCC[C@H]1N(C)C(=O)CS(=O)(=O)c1ccc(F)cc1 131687038 JPMVGSMOMKFQNB-SWLSCSKDSA-N 327.421 2.637 0 50 EFAA Cc1noc([C@@H]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 344871963 KYNXAPRNJUQQMD-CYBMUJFWSA-N 327.363 2.897 0 50 EFAA COC(=O)c1csc(NC(=O)N2CCC(c3c[nH]cn3)CC2)c1 253432783 OAHXQSMLYBRGJF-UHFFFAOYSA-N 334.401 2.669 0 50 EFAA CCn1cnnc1[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 378353755 YBYYYWRRNKENOO-HNNXBMFYSA-N 330.432 2.695 0 50 EFAA CCc1nnc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)o1 818024028 HWWYXEPPNRHWGY-QAPCUYQASA-N 331.416 2.513 0 50 EFAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F 824242537 UTFJVWIFVHWOCG-HZMBPMFUSA-N 337.326 2.552 0 50 EFAA Cc1cnc2c(c1)N(C(=O)[C@H]1CCN(Cc3ccccc3)C1)CCN2 858000398 HDAUMIATKGJNFX-KRWDZBQOSA-N 336.439 2.671 0 50 EFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc(F)cc1F 952890725 YXPHNLFYHIEJER-CYBMUJFWSA-N 335.310 2.754 0 50 EFAA COc1cccc2[nH]cc(S(=O)(=O)N[C@H](C)Cc3ccco3)c12 1875288632 QZQVNZOZRVMWID-LLVKDONJSA-N 334.397 2.679 0 50 EFAA O=C(OCCc1cnc(O)nc1)c1ccc(F)c(COCC2CC2)c1 1875265875 WQJFVWOZRIJFRK-UHFFFAOYSA-N 346.358 2.647 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)N[C@@H](c1cccnc1)C(C)(C)CO 1875277519 PBBZQXNSDBVKTC-INIZCTEOSA-N 342.395 2.578 0 50 EFAA CCc1ccc(N2CCN(C(=O)/C=C/CN(C)C)CC2)cc1Cl 1875387732 VABZQXQOOLRXBP-AATRIKPKSA-N 335.879 2.669 0 50 EFAA COc1ccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1 886038149 NVLNNOSVGXRZJD-ZFWWWQNUSA-N 330.350 2.727 0 50 EFAA COc1cccc([C@@H]2C[C@H]2NC(=O)c2c[nH]nc2C2CCOCC2)c1 886078408 YJVILGLBHXPHAI-DOTOQJQBSA-N 341.411 2.598 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]1C(F)(F)F 888096625 NBHFXAFUINGZCQ-UONOGXRCSA-N 327.350 2.607 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1Cc2ncccc2N2CCC[C@H]2C1 890623916 FNTMISBJVBBRDJ-HNNXBMFYSA-N 347.422 2.512 0 50 EFAA CC(C)Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C2CCC2)cn1 894896212 KGBBDAXDXDCRMW-SFHVURJKSA-N 336.501 2.679 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NCC3(C(N)=O)CCCC3)c2c1 2325827012 RUEPLXGXFOPFHF-UHFFFAOYSA-N 333.819 2.776 0 50 EFAA Fc1ccc(Nc2nc(=NCC[C@@H]3CCNC3)[nH]cc2Cl)cc1 2325839139 KENCVANSIDWARE-NSHDSACASA-N 335.814 2.846 0 50 EFAA O=C(N[C@H]1c2cccc(O)c2C[C@@H]1C(=O)O)c1ccc2[nH]ccc2c1 2332239289 DEQJMLORKTWBPR-YOEHRIQHSA-N 336.347 2.602 0 50 EFAA CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 311259 XKSPXKOKAFDZCP-UHFFFAOYSA-N 337.331 2.541 0 50 EFAA CC1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(C)CC3)CC1 3117707 WFDQGXWXZCBZME-UHFFFAOYSA-N 338.455 2.898 0 50 EFAA CC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 4197148 FXQSPBGOYOZCPZ-QGZVFWFLSA-N 325.412 2.588 0 50 EFAA C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@@H]2CCCCN2C)c1 4757936 MJTQAIYOGJBJJG-KSSFIOAISA-N 343.471 2.950 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 6743609 CMWIMNNKLZHXND-CYBMUJFWSA-N 342.436 2.606 0 50 EFAA CC(C)N1CC[C@@H](N2CCO[C@@H](c3ccc(Cl)s3)C2)C1=O 221823165 OPMVSTBEELQNNS-VXGBXAGGSA-N 328.865 2.784 0 50 EFAA O=C(NCC[C@H]1CCCCO1)NC[C@H]1CCN(c2ccc(F)cc2)C1 222235444 QONFSEVMDPUQTB-CRAIPNDOSA-N 349.450 2.910 0 50 EFAA CN(CCCN1CCCN(CC(F)F)CC1)C(=O)OC(C)(C)C 225495079 RXEYJWSJQRWVMH-UHFFFAOYSA-N 335.439 2.516 0 50 EFAA C/C=C(\C)CN1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67983001 QXTFSHDMPQIOAI-MRJCOXNESA-N 326.444 2.717 0 50 EFAA CC(=O)N1CCC[C@@H](CNc2ccc(-c3nc(C(C)C)no3)cn2)C1 20166223 IQENWGZFIQRZJX-AWEZNQCLSA-N 343.431 2.925 0 50 EFAA CN(Cc1cnccn1)C1CCN(c2ccc(-n3cccn3)cc2)CC1 20868418 NYBVJLBLHMLLHQ-UHFFFAOYSA-N 348.454 2.763 0 50 EFAA CCC[C@H](N)C(=O)N1CCC(c2n[nH]cc2Cc2ccccc2)CC1 67878121 KSSVMEVWZSMVRE-SFHVURJKSA-N 340.471 2.834 0 50 EFAA COc1ccc(-c2c3c(=O)n(C(C)C)ccc3nc3ncnn23)cc1 32095482 JPSFQSAZNNBXLH-UHFFFAOYSA-N 335.367 2.696 0 50 EFAA OCC[C@H]1CCc2ccccc2N1Cc1nc(CC(F)(F)F)no1 425493887 RMBNEKFOURMJPS-GFCCVEGCSA-N 341.333 2.878 0 50 EFAA O=C(c1ccc(-n2cnnc2)cc1)N(CC1CCC1)C[C@H]1CCCO1 216251322 ZVEIIFYBMCDWJW-GOSISDBHSA-N 340.427 2.689 0 50 EFAA O=C(Nc1cccc(C(=O)OC2CCNCC2)c1)c1ccsc1 151107093 XTFRMSSJVMBNQS-UHFFFAOYSA-N 330.409 2.909 0 50 EFAA COCc1csc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)n1 151998129 ZBQQQJKIFLAKTJ-UHFFFAOYSA-N 344.396 2.941 0 50 EFAA COc1ccccc1CCC(=O)N1CCCC[C@H]1CN1CCCC1=O 360938518 BFFVENGFGLRPNH-KRWDZBQOSA-N 344.455 2.631 0 50 EFAA CN(C)C(=O)N1CCC(C(=O)Nc2cccc3ccc(O)cc23)CC1 154890037 SBLOTDCARIHUHC-UHFFFAOYSA-N 341.411 2.878 0 50 EFAA Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2nccc2n1 72431494 OXHSXKMRDVYTNH-UHFFFAOYSA-N 334.383 2.506 0 50 EFAA CNC(=O)CCN(C)Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 71752908 BCDAOQSEZCKKLW-UHFFFAOYSA-N 345.443 2.843 0 50 EFAA CCOCc1nc2c(c(N[C@H](C)c3ccc(C)cn3)n1)CCNCC2 72418845 XQJIWPYCXZSHMJ-CQSZACIVSA-N 341.459 2.578 0 50 EFAA Cn1c(CNC(=O)C2(N3CCCC3)CCCC2)nc2ccccc21 215221192 HOZQGOBEWBFOJI-UHFFFAOYSA-N 326.444 2.598 0 50 EFAA Cc1nn(C)c(C)c1-c1ccnc(N2CCCN(CC(C)C)CC2)n1 48112461 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2.672 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 14950831 XBJFOZCGAWZEIB-OAHLLOKOSA-N 332.492 3.000 0 50 EFAA O=c1c(-c2ccccc2)nnc2sc(CCc3ccccc3)nn12 6759463 QYFXMKRBOIQGLK-UHFFFAOYSA-N 334.404 2.998 0 50 EFAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 4986253 SWEJGVAPTFBEOI-LBPRGKRZSA-N 329.352 2.872 0 50 EFAA O=C(c1ccccc1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733621 REMCTPLAAKMVPY-OPYAIIAOSA-N 348.402 2.601 0 50 EFAA CCc1nc(C)cc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1 225818078 BULQXVWAMHQTGK-UHFFFAOYSA-N 330.457 2.680 0 50 EFAA O=C(c1cccc(OCC(F)(F)F)n1)N(C[C@@H]1CCOC1)C1CC1 119808400 ISSIQMVXCCXQAY-NSHDSACASA-N 344.333 2.664 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnc3ccccc23)CCN1CC(F)(F)F 124600838 LSWIFQJVEVOQHO-GFCCVEGCSA-N 337.345 2.943 0 50 EFAA C[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)O)c2)Cc2ccccc21 736812578 BVAOCKOONSGMJB-ZDUSSCGKSA-N 345.420 2.834 0 50 EFAA Fc1cccnc1N1CC[C@@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1 127652369 BEUMSVYVPZQWGF-WBVHZDCISA-N 337.402 2.902 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCc3ccccn3)C3CC3)n[nH]c21 1875290500 MENHMFGQABAJIM-OLZOCXBDSA-N 340.427 2.674 0 50 EFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C2CCCC2)C1 1875266233 MDZINTJXFNUEKI-MSOLQXFVSA-N 344.455 2.992 0 50 EFAA Cc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2C(F)F)cc1F 1875280960 IKGIGGXWAIFJJK-UHFFFAOYSA-N 337.298 2.745 0 50 EFAA O=C(NC[C@H]1CCOC1=O)c1ccc(-c2nc3ccccc3s2)o1 1875341082 FSAQNMPKOBUCAF-SNVBAGLBSA-N 342.376 2.849 0 50 EFAA C[C@H](NC(=O)[C@]12CCC[C@H]1CC(=O)CC2)c1ccc(N(C)C)nc1 1875330554 SNFSCTBZLKGXHF-RFUYNDQBSA-N 329.444 2.864 0 50 EFAA Cc1cccc(Oc2ccccc2CNC(=O)C[C@H]2CCNC2=O)c1 878755088 BSIHLHLRZYCCRP-OAHLLOKOSA-N 338.407 2.930 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCN(c3ccccc3Cl)C2=O)nn1 881312112 WUBSOHRCNJSBKY-CYBMUJFWSA-N 334.807 2.527 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N[C@H](c3cnn(C)c3)C(C)C)c2c1 885438387 KNSBLRWOBKDFLW-IBGZPJMESA-N 340.427 2.966 0 50 EFAA CC(C)[C@@H](NC(=O)c1cnn2cccc(Cl)c12)c1cnn(C)c1 885414882 HFFMEBLAPKLJEA-CQSZACIVSA-N 331.807 2.848 0 50 EFAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccoc3Cl)C2)ccn1 886095106 LQEDWNHTLFGONH-CQSZACIVSA-N 349.818 2.683 0 50 EFAA CO[C@H]1C[C@H](CNC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)C1 1772249318 AZOHYWVDXDTYIU-BZUAXINKSA-N 348.491 2.952 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNc3ccnc(C(F)(F)F)c3)C2)n1 1775958235 MCNFSZBZUJAKGE-HOSYDEDBSA-N 342.321 2.758 0 50 EFAA Cc1csc([C@@H]2Cc3ccccc3N(Cc3cnnn3C)C2)n1 1776005396 IJOOIZNQMVOCCK-CQSZACIVSA-N 325.441 2.927 0 50 EFAA Cc1cc(C2CN(C(=O)c3ccnc(N4CCCC[C@H]4C)c3)C2)no1 2325791232 DNYMSLRNPGIOOT-CYBMUJFWSA-N 340.427 2.996 0 50 EFAA N[C@H]1CCCN(C(=O)c2cnc(-c3ccc4sccc4c3)cn2)C1 2325796661 BICCJLSQJZQFEZ-AWEZNQCLSA-N 338.436 2.922 0 50 EFAA O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 57479 HGMITUYOCPPQLE-LJQANCHMSA-N 337.419 2.560 0 50 EFAA in-vitro COC[C@@H](NC(=O)c1cc(C)nc2c(C)cccc12)c1ccnn1C 55041908 LGGUFORDWVFZBE-MRXNPFEDSA-N 338.411 2.703 0 50 EFAA CCCCn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)c(C)n23)n(C)c1=O 10104218 MCBBEKUOKNOXFJ-NSHDSACASA-N 345.447 2.537 0 50 EFAA CNC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2ccccc2)on1 225494985 ZWTDFFYXNUSBAI-UONOGXRCSA-N 342.399 2.768 0 50 EFAA CCCc1[nH]c([C@@H]2CC(=O)N(CCN(C)C)C2)nc1-c1ccccc1 23429173 ILBZZYZOAFVTEC-MRXNPFEDSA-N 340.471 2.907 0 50 EFAA COc1cccc([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)c1OC 20119012 WYYISXHOPXLNJK-CQSZACIVSA-N 341.411 2.740 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 248136186 OSGQWFXZPRNCAP-JKSUJKDBSA-N 330.428 2.547 0 50 EFAA Cn1ncc(CN2CCC(c3cc(=O)[nH]cn3)CC2)c1-c1ccccc1 23429201 ZXXZOWGTXQCDEB-UHFFFAOYSA-N 349.438 2.550 0 50 EFAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc3ccccc3n2)C1 347916985 ZFLIFQNTIMUYCB-IRXDYDNUSA-N 339.439 2.560 0 50 EFAA CC(C)CNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67878955 OPWQTWYWNSNUGK-FQEVSTJZSA-N 332.488 2.909 0 50 EFAA CCc1noc(C)c1CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 118988808 PQSBKOGKLIZRIG-LLVKDONJSA-N 337.445 2.768 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)C1 171301315 QDUSOYVDHTYXIV-HNNXBMFYSA-N 340.427 2.891 0 50 EFAA Cc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)co1 352583488 PFNPVGWNQSSLQA-UHFFFAOYSA-N 330.775 2.999 0 50 EFAA CCOc1ccccc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O 5953831 NIPSMAUCDCFYPL-UHFFFAOYSA-N 329.308 2.734 0 50 EFAA CCNc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1 77503845 KJBAOQLIKZAIGH-UHFFFAOYSA-N 345.472 2.549 0 50 EFAA Cc1cscc1NC(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 123706716 UIVMIMHMPKPNOA-JKSUJKDBSA-N 337.489 2.946 0 50 EFAA c1cnc(Oc2ccc(CN3CCC[C@H]3Cn3cncn3)cc2)cn1 359977375 KOLPYYDALXXUJM-INIZCTEOSA-N 336.399 2.525 0 50 EFAA Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)on1 77457095 LDUQTMRZUSFCBZ-UHFFFAOYSA-N 327.428 2.764 0 50 EFAA Cc1nc([C@@H]2CCCCN2CCC(=O)Nc2ccc(F)cc2)n[nH]1 366715860 FRSXZBBHTFDGFB-HNNXBMFYSA-N 331.395 2.808 0 50 EFAA CC(C)(C)CN1CC[C@@H](C2CCN(c3ncccc3C(N)=O)CC2)C1 72166037 AALSHPFPAUOQAD-MRXNPFEDSA-N 344.503 2.765 0 50 EFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(N(C)C)c1 219305245 BZSZYXXDNRVLMD-QZTJIDSGSA-N 332.444 2.623 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1c1ccco1 370904247 ICXVGUYSBLUAIE-MRXNPFEDSA-N 325.368 2.538 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)C1CCN(CC(F)F)CC1 376969207 RGLGOSANOXMXQG-CYBMUJFWSA-N 338.398 2.773 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@](O)(C2CC2)C1 373252208 ZUQOMGLURMZSTR-NRFANRHFSA-N 335.403 2.905 0 50 EFAA CC(=O)N1CCC[C@@H](CNC2CCC(O)(c3ccccc3)CC2)C1 373550816 XJRIZIICULJFKI-KKXNLOMOSA-N 330.472 2.665 0 50 EFAA O=C(CCCN1CCOCC1)N1CC[C@H](c2cccc(Cl)c2)C1 219087288 IHUTYWSOFKAKRN-INIZCTEOSA-N 336.863 2.768 0 50 EFAA Cc1cc2nc(C(C)C)cc(NCC[C@H](C)N3CCN(C)CC3)n2n1 72431253 YHQPEMOITRWBBI-INIZCTEOSA-N 344.507 2.599 0 50 EFAA O=C(CSc1ccncc1)N1CCO[C@H](Cc2ccccc2)C1 15064687 AINHYGYBJJJVRU-MRXNPFEDSA-N 328.437 2.644 0 50 EFAA C[C@H](Cc1cccs1)NC(=O)c1ccc2c(c1)NC(=O)CCN2C 172704488 DYICKPKPNRUYNJ-GFCCVEGCSA-N 343.452 2.888 0 50 EFAA Cc1nc2c(c(NCC3(CO)CCC3)n1)Cc1ccccc1OC2 215766837 XZXMZECVSAVCLL-UHFFFAOYSA-N 325.412 2.843 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCN(Cc2ccon2)CC1 172802573 SSRPFDCSJSBKRK-UHFFFAOYSA-N 333.819 2.605 0 50 EFAA Cc1cnn(-c2ccc(NC(=O)N3CCN(C4CC4)CC3)cc2F)c1 173385872 UVLXMBXSMIOKLG-UHFFFAOYSA-N 343.406 2.632 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 82161283 CSUJDVPVGAGXBM-HNNXBMFYSA-N 341.459 2.989 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)CCc1ccccc1 240744041 HUAVYXNTWCVWDL-KBAYOESNSA-N 338.517 2.657 0 50 EFAA Cc1nc(C)c(C)c(N2CCC(NC(=O)c3ccsc3)CC2)n1 240894814 IQDOJILDKGNOKC-UHFFFAOYSA-N 330.457 2.862 0 50 EFAA COCC[C@H](CO)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 241301106 LQJJNTFQFFYFNN-CQSZACIVSA-N 335.429 2.637 0 50 EFAA O=C(Nc1ccon1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 241969540 UXFPLZLTJUXLNN-LBPRGKRZSA-N 339.298 2.881 0 50 EFAA Cc1cc(Cl)ccc1-c1cccc(C(=O)N(C)C[C@@H](O)CO)c1 426477992 JTGIFRBZFJTEFZ-MRXNPFEDSA-N 333.815 2.741 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)n1 175810124 CYMMRPSQMSZUFO-OAGGEKHMSA-N 327.428 2.613 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@H](Cn1cccn1)c1ccccc1 222693374 UHPFUBDRNGPDKG-GOSISDBHSA-N 345.406 2.791 0 50 EFAA c1cc(-c2noc(CN3CCC(OC[C@H]4CCCCO4)CC3)n2)co1 177600572 YGEMVQLRMNSTBS-MRXNPFEDSA-N 347.415 2.880 0 50 EFAA Cc1cccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@H]2C)n1 82116146 KSWDRHIINXSULI-CYBMUJFWSA-N 343.814 2.921 0 50 EFAA C[C@@](NC(=O)c1csc(S(C)(=O)=O)c1)(C1CC1)C(F)(F)F 331899416 NJGIHALTOKOQGB-LLVKDONJSA-N 341.376 2.612 0 50 EFAA COc1ccccc1OC1CN(C(=O)[C@H]2COc3ccccc3C2)C1 95527078 NSVRTFGTWDETIN-OAHLLOKOSA-N 339.391 2.536 0 50 EFAA Cc1nc(CNC(=O)c2cc(CC(C)C)no2)nc2c1CCCC2 91966448 ZJTUSUOLHAYZFT-UHFFFAOYSA-N 328.416 2.780 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccn2C2CC2)C1 91425728 BLAQPCVATLMJHW-OAHLLOKOSA-N 342.443 2.686 0 50 EFAA O=C(c1cccnc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95510281 PEOOALWMNNQULA-GOSISDBHSA-N 347.422 2.741 0 50 EFAA Cc1nn(CCNC(=O)c2ccc([C@@H]3CCCNC3)cc2)c(C)c1C 95386587 JGGIQUVDMPCTGM-LJQANCHMSA-N 340.471 2.705 0 50 EFAA O=C(O)c1cccc(N2CCCN(CCCc3ccccc3)CC2)n1 95507524 YBBJEYAIIXASKU-UHFFFAOYSA-N 339.439 2.925 0 50 EFAA COc1cc(CN2CCC2)ccc1OC[C@H](O)CN1CCCCCC1 95518084 NQBPZZLDINFCFM-GOSISDBHSA-N 348.487 2.517 0 50 EFAA C[C@@H](NC(=O)NCc1ccnc(OCC(F)F)c1)c1nccs1 180510222 KMFIVZLWNNXFHL-SECBINFHSA-N 342.371 2.742 0 50 EFAA Cc1cccc(-c2noc(CCc3nc([C@H]4CCOC4)no3)n2)c1 96132544 IMCFKUDEPPPZPE-ZDUSSCGKSA-N 326.356 2.717 0 50 EFAA CC[C@@H]1c2cccn2CCN1C(=O)c1cc(C(C)C)n2ncnc2n1 91707478 BAYUTCKSZHMOBQ-CQSZACIVSA-N 338.415 2.656 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc(O)n1 180768478 PVIOICBXACLBAX-DLBZAZTESA-N 344.386 2.963 0 50 EFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 243956986 CFGPSGLHBPGOKM-TXEJJXNPSA-N 332.375 2.918 0 50 EFAA O=C(Cc1cccc(F)c1F)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 243893741 ATMMRXDXIJPFCK-JCGVRSQUSA-N 332.350 2.531 0 50 EFAA CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@@H]1CCO[C@H]1c1ccnn1C 299745200 WNDAFZGXTXWPBK-SUMWQHHRSA-N 331.464 2.650 0 50 EFAA CCc1nsc(N2CCCN(C(=O)Nc3ccc(C)cn3)CC2)n1 184290001 WVRSAYAMATWFRF-UHFFFAOYSA-N 346.460 2.548 0 50 EFAA CN(C)[C@H]1CCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)C1 534652169 BLMNTHAFOSLVRI-KRWDZBQOSA-N 334.423 2.777 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)N(C)CC2CCN(CCO)CC2)cc1C 534644780 GGTCCXGFAZMKJP-QGZVFWFLSA-N 347.503 2.710 0 50 EFAA CCOCCCNC(=O)c1ccc(-c2nc(N)nc(C)c2Cl)cc1 584887807 JGAXNPRZSPKTQJ-UHFFFAOYSA-N 348.834 2.844 0 50 EFAA Cc1ccc(C)c([C@@H](NC(=O)N(C)CCN(C)C)c2cccnc2)c1 584897617 PKNWJWAOEPALCA-IBGZPJMESA-N 340.471 2.991 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCO1 270935575 UUOWJNLCPMNMML-BSWAZPDLSA-N 332.444 2.538 0 50 EFAA O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)[C@@H]1CSCN1 170046875 CVLIGONDEPSGGR-CVEARBPZSA-N 328.437 2.832 0 50 EFAA Cc1ccc(CNCc2cn(C)nc2C2CCCCC2)c(=O)n1C 278805007 RTQWOVNHDXKSNP-UHFFFAOYSA-N 328.460 2.765 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnc(S)o2)cc1 170599361 DWONKXXTBCENMV-ZDUSSCGKSA-N 345.424 2.999 0 50 EFAA C[C@@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)[S@@](C)=O 170593656 HOTZCQMOYIVVQZ-ZAMGYDSWSA-N 336.501 2.819 0 50 EFAA COCCNCC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 195543421 BMILDQSQZMYYOS-UHFFFAOYSA-N 325.459 2.663 0 50 EFAA COc1cccc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c1 216507536 SIDPYTMNJAYFPM-MSOLQXFVSA-N 339.391 2.944 0 50 EFAA O=C(c1cc(O)nc2ccccc12)N1CCC[C@]2(CCC[C@H]2O)C1 1704337777 DKQWSBCXNUOGIZ-VQIMIIECSA-N 326.396 2.708 0 50 EFAA CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 454997 MTLLZJATSXFJCT-UHFFFAOYSA-N 346.452 2.817 0 50 EFAA CCN(CC)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1 806141 FXAGDVMBMNQSRC-UHFFFAOYSA-N 344.502 2.841 0 50 EFAA CC(C)Cn1c(CNC(=O)C(C)C)nnc1SCc1ccncc1 11785387 GHOAWZBWFJZEDD-UHFFFAOYSA-N 347.488 2.894 0 50 EFAA Cc1noc(C)c1CC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 12297351 LHBVKHDRAAXONY-INIZCTEOSA-N 345.418 2.754 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCCC2)nc1 12300833 GYGDPJXRDMJBJQ-UHFFFAOYSA-N 341.459 2.822 0 50 EFAA O=C(CSc1ccccn1)N1CCO[C@H](Cc2ccccc2)C1 12448885 VZZBEZOOADBNJN-MRXNPFEDSA-N 328.437 2.644 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 13745796 PGUXJARDDYFEFY-WWGRRREGSA-N 336.457 2.844 0 50 EFAA CCn1c(CN2CCN(c3cccc(C)c3C)CC2)n[nH]c1=S 19720826 IHHVLKYWSLFCER-UHFFFAOYSA-N 331.489 2.900 0 50 EFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(F)c1 4841253 MYKUGQLXTYMNEU-UHFFFAOYSA-N 329.356 2.793 0 50 EFAA Cc1ccc2ncccc2c1-c1nccn1[C@@H]1CCS(=O)(=O)C1 1857691455 MBADQTCLICBJHT-CYBMUJFWSA-N 327.409 2.766 0 50 EFAA CC[C@@]12COC(=O)N1CCN(CCOc1ccccc1OC(C)C)C2 1857694445 ORCYRPILMGGASB-LJQANCHMSA-N 348.443 2.769 0 50 EFAA Cc1ccccc1-c1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1875247234 GVNNWJJPCSNLCI-MOPGFXCFSA-N 336.435 2.609 0 50 EFAA CCNC(=O)c1cccc(CNC(=O)NCc2ccc(CC)cc2)c1 239762487 CLQRYJZUXPJSMS-UHFFFAOYSA-N 339.439 2.998 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348240494 ICLKIYATBHRYOZ-RDJZCZTQSA-N 339.370 2.579 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)CO1 668289403 XGQPSRZLQFQTEL-XWRVAKJBSA-N 346.210 2.834 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)c1C 253385017 QZPOFZSYEAZNDM-IRXDYDNUSA-N 343.471 2.781 0 50 EFAA O=C(CS[C@H]1CCCc2ccccc21)NCCCN1CCCC1=O 253416106 GNNFQWRAJMXRBQ-KRWDZBQOSA-N 346.496 2.926 0 50 EFAA CC(C)n1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)n1 356656905 SYBLVMLICJBJRF-SECBINFHSA-N 338.209 2.508 0 50 EFAA Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cn1 363196895 XWQWKVDOWMUEJD-GOSISDBHSA-N 335.407 2.978 0 50 EFAA Cc1noc(C(C)C)c1C(=O)NC[C@@](C)(C(=O)O)c1ccccc1 263284532 KKELLKGIQUTVHL-GOSISDBHSA-N 330.384 2.879 0 50 EFAA O=C([C@@H]1CCc2cn[nH]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 266258860 LZDQMLBGXZUVHN-LLVKDONJSA-N 338.386 2.720 0 50 EFAA COc1ccc(CCCN(C)C(=O)c2cc3c(cc2O)OCO3)cc1 390835353 LPBCRQQTVXFXOB-UHFFFAOYSA-N 343.379 2.834 0 50 EFAA Cn1cccc1[C@H]1CCCCN1C(=O)c1coc2c1C(=O)NCCC2 906880593 UKKOZLXFEMXOIT-OAHLLOKOSA-N 341.411 2.662 0 50 EFAA O=C(c1ccnc2[nH]c(CC3CC3)nc12)N1C[C@H](CO)c2ccccc21 820527363 WFPZMEVMDRBCAM-CYBMUJFWSA-N 348.406 2.647 0 50 EFAA Cc1ccccc1CN(C(=O)c1ccc(S(C)(=O)=O)nc1)C1CC1 929934254 GTTCPMVGDGWZPX-UHFFFAOYSA-N 344.436 2.598 0 50 EFAA CCn1cnc2c1CCN(C(=O)N[C@@H](c1ccccc1)C(F)F)C2 931544461 NBXRPZJDILVFBW-HNNXBMFYSA-N 334.370 2.977 0 50 EFAA CC[C@@H](CC(F)(F)F)NC(=O)c1cn(-c2ccc(OC)cc2)nn1 935396840 NRVMDZCRVHQIAQ-JTQLQIEISA-N 342.321 2.737 0 50 EFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C(F)F)ncn1 952993850 SJNJRLYVEIMISQ-GFCCVEGCSA-N 332.354 2.765 0 50 EFAA CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccnc(C)c1 1875273575 KSPVJZLAJAVVAZ-IRXDYDNUSA-N 349.475 2.894 0 50 EFAA COc1c(C(=O)N2CCC[C@@H]2c2nccn2C)cnc2ccccc12 1875293400 OJGKUKKJMGTWPF-MRXNPFEDSA-N 336.395 2.954 0 50 EFAA O=C(/C=C/CN1CCCC1)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1 1875337920 JEZMOLIFVNQOTE-QDLOVBKTSA-N 336.382 2.597 0 50 EFAA Cc1cc(C(=O)N2CCn3c(C)nc(C4CCN(C)CC4)c3C2)co1 1875394837 YMSQNSAVMOYDJX-UHFFFAOYSA-N 342.443 2.558 0 50 EFAA O=C(N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1coc(C2CCC2)n1 886911069 AXBFTPBLUKXHJX-GLRZTSSQSA-N 326.396 2.765 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]1C(F)(F)F 888096624 NBHFXAFUINGZCQ-KGLIPLIRSA-N 327.350 2.607 0 50 EFAA Cc1cc(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cnc1C 893813737 TZGMBECSBNAHII-QGZVFWFLSA-N 346.452 2.855 0 50 EFAA Cc1cc(N2CCC(c3ccsc3)CC2)nc(S(C)(=O)=O)n1 1775265283 ZPIZTXZGAIMGQZ-UHFFFAOYSA-N 337.470 2.634 0 50 EFAA Cc1ccc(CN(CCO)C(=O)C2C[C@H]3CC(O)C[C@H](C2)C3)cc1 1775998293 VIKPVVRZAMFKDK-YXWAVELNSA-N 331.456 2.503 0 50 EFAA COc1ccc(CNC2(C(=O)N3CCOCC3)CCCCC2)c(C)c1 897892785 CDQGHZGXNKIJPA-UHFFFAOYSA-N 346.471 2.655 0 50 EFAA c1ccc2c(c1)oc1c(CN3CCO[C@@H](c4nn[nH]n4)C3)cccc12 2100537599 RGENCNUXCOZYKV-MRXNPFEDSA-N 335.367 2.673 0 50 EFAA O=C(NCc1ccn2ccnc2c1)c1ccc([C@@H]2CCCN2)s1 2325768527 SBUDQUWIGCEYPZ-ZDUSSCGKSA-N 326.425 2.750 0 50 EFAA Brc1ccc2nc[nH]c(=NC[C@H]3CN4CCC3CC4)c2c1 2325775537 DUSRGSIQIOASOE-LBPRGKRZSA-N 347.260 2.568 0 50 EFAA Cc1ccc(-n2nnnc2SCc2cc(Cl)n(C)n2)cc1C 863264250 CTMGCHLUDHNAPL-UHFFFAOYSA-N 334.836 2.958 0 50 EFAA CCCc1cc(NC(=O)c2ccc(NCc3cnn(C)c3)cc2)n[nH]1 900648098 ONDZARHDUNFPNR-UHFFFAOYSA-N 338.415 2.960 0 50 EFAA CCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 101132 QAEDUQJMDKCNBA-OAHLLOKOSA-N 328.343 2.968 0 50 EFAA CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 309698 XQJGKESWJQZBSD-CQSZACIVSA-N 339.395 2.780 0 50 EFAA COc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)O 309981 MCBBHNBWGYSRDL-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 444167 XBNQVZVPBVUPIF-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)s1 9197688 YXBWPARONWXSKM-GFCCVEGCSA-N 344.440 2.791 0 50 EFAA C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)NC1CCCCC1 9594930 VUPZAQXAPMPKIS-GFCCVEGCSA-N 345.472 2.807 0 50 EFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)N(C)C(C)C 225780027 GFCHUBJJJDNZBY-KBPBESRZSA-N 342.484 2.756 0 50 EFAA CNC(=O)c1c(NC(=O)[C@@H]2CC(C(C)C)=NO2)sc2c1CCCC2 55368933 OFZYPLRUJMWABP-LBPRGKRZSA-N 349.456 2.726 0 50 EFAA CCNC(=O)[C@@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C1 67847319 MJXXQHYGCOIVHO-OAHLLOKOSA-N 327.428 2.916 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 248197811 ROOVCXWTPMEDDP-DDUZABMNSA-N 332.469 2.578 0 50 EFAA COc1cc(N2CCC[C@@](CO)(Cc3ccccc3C)C2)ncn1 67691234 XZKMYJNFTLAEDB-LJQANCHMSA-N 327.428 2.615 0 50 EFAA O=C(CN1CCN(Cc2ccco2)CC1)Nc1cccc(Cl)c1 20437473 JBTZBPMZFKQKFT-UHFFFAOYSA-N 333.819 2.689 0 50 EFAA CCc1csc(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)n1 65433581 BEMSTUMTQHDNOQ-QGZVFWFLSA-N 331.485 2.976 0 50 EFAA c1ccc(CCc2nc(CCN3CCCO3)n(-c3ccccn3)n2)cc1 65405273 IASXHWXPPDXBIZ-UHFFFAOYSA-N 349.438 2.627 0 50 EFAA O=C(NCCOc1ccccc1)c1cc(COc2ccccc2)[nH]n1 67459811 TUAGAYYJZAPWCK-UHFFFAOYSA-N 337.379 2.798 0 50 EFAA Cc1nnc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)s1 253418396 HOHFHCQSXKLVPS-KRWDZBQOSA-N 342.424 2.520 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1 2791861 YOWNNTKHDGABLF-UHFFFAOYSA-N 329.747 2.593 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCc2ccc(OC)cc2C1 328645152 SANVRHKCYDSOPP-NEWSRXKRSA-N 341.455 2.889 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2ccccc2)CCN1Cc1ccccc1 120848625 AIDQRFFKPXLOHZ-UXPWSPDFSA-N 338.451 2.889 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 281406658 NWOQGFHKCPHGEG-OTWHNJEPSA-N 330.472 2.904 0 50 EFAA Cc1ccccc1-c1nnn(Cc2ncc(Br)s2)n1 432555292 MNBKRLSMULGDKY-UHFFFAOYSA-N 336.218 2.916 0 50 EFAA c1ccc2c(c1)CC[C@H](n1ccnc1-c1cc3n(n1)CCCNC3)C2 72468969 RSCMWKVEPZWHMI-KRWDZBQOSA-N 333.439 2.970 0 50 EFAA O=C(Cc1csc(-n2cccc2)n1)NCCc1ccccc1F 30819518 XIARGRGAIKZDSB-UHFFFAOYSA-N 329.400 2.974 0 50 EFAA CC[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1F 172457405 QVPNCKQBJCRAEV-CQSZACIVSA-N 330.338 2.977 0 50 EFAA O=C(N[C@H]1CCO[C@@H]1C1CC1)N1CCC(Cc2cccnc2)CC1 332810285 WAWIOKLUPPSIRU-ZWKOTPCHSA-N 329.444 2.613 0 50 EFAA CCCCNC(=O)[C@H](C)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 495656270 ITDMGYVDRLTIOK-KBXCAEBGSA-N 341.496 2.528 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 130492048 DCHFSPIFFOEXOT-UGSOOPFHSA-N 327.428 2.948 0 50 EFAA C[C@H](c1cccc(CN2CCC(N3CCC(O)CC3)CC2)c1)N(C)C 72417928 VJUDUABBVOXUIL-QGZVFWFLSA-N 345.531 2.730 0 50 EFAA COc1ccc(-c2cncc(C(=O)N(C)C3CCNCC3)c2)cc1 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345.349 2.590 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ncoc1C1CC1 220133994 JVUNVCJVRIUWRK-CVEARBPZSA-N 342.395 2.656 0 50 EFAA Cn1c(SCc2noc(C3CCCC3)n2)nnc1[C@@H]1CCCNC1 426485495 FTKUBTBSTDAXTL-GFCCVEGCSA-N 348.476 2.615 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 225692918 QDYGNXXHNLFGGH-BDXSIMOUSA-N 349.386 2.546 0 50 EFAA COC(=O)c1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H](N)C2)cc1 426533960 FIHPJZHTWZZESR-CVEARBPZSA-N 338.407 2.750 0 50 EFAA Cc1c(Cl)cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cc1Cl 95372521 RLPNULGBOZSWLW-KBPBESRZSA-N 332.227 2.912 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)on1 91320927 NCPFCHLZANSKPE-OAHLLOKOSA-N 342.443 2.915 0 50 EFAA CCn1nc(C)c([C@H](C)n2cc(-c3ccc(OC)nc3)nn2)c1C 95381519 FNFWBESUZFCLGK-ZDUSSCGKSA-N 326.404 2.791 0 50 EFAA CCCc1nnsc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 95353982 KNZWCCKHNKQCGA-CQSZACIVSA-N 346.456 2.707 0 50 EFAA Cc1ccc(-n2nc(C(=O)N[C@H](C(=O)O)C(C)C)c3c2CCC3)cc1 236781626 NVRMVPFPANJFHL-INIZCTEOSA-N 341.411 2.508 0 50 EFAA Cc1ccc(-c2noc(C3CCN(C(=O)C4CCCC4)CC3)n2)nn1 95509262 BIPZSQHBNQQZSL-UHFFFAOYSA-N 341.415 2.731 0 50 EFAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)COC(=O)O2 97819439 AMJIBFPGFWAQMF-CYBMUJFWSA-N 333.384 2.595 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N(Cc1nccs1)C1CC1)C2 95387274 KBIIWOONPDQRTE-ZDUSSCGKSA-N 344.436 2.894 0 50 EFAA CCn1nc(C)c(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1C 91965931 KXTVHDJSLSDTCB-ZWKOTPCHSA-N 327.428 2.820 0 50 EFAA Cc1nc(N2CCOc3ccc(CO)cc3C2)c2ccsc2n1 95368205 OMWLYPCSLMHQGZ-UHFFFAOYSA-N 327.409 2.891 0 50 EFAA COCCc1noc([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)n1 244716158 LJOYAZGBQBYOTI-CQSZACIVSA-N 349.456 2.902 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)NC[C@@H]1CCOc2ccccc21 184520548 INUCWOMVACFDQE-ZDUSSCGKSA-N 335.400 2.979 0 50 EFAA O=C(NCC[C@@H]1CCCOC1)N1CCC(OCc2ccccn2)CC1 534634744 UYIJWTGPYVZEDL-INIZCTEOSA-N 347.459 2.589 0 50 EFAA COc1ccc(-c2cc(-c3cccs3)nc(CC(N)=O)n2)cc1 824691957 FDZMMURDELOFPD-UHFFFAOYSA-N 325.393 2.909 0 50 EFAA CN(C)c1ncc(/C=C/C(=O)N2CC[C@H]2c2ccc(F)cc2)cn1 823742137 YDCCEXMOMPZMCT-ICFOYXHFSA-N 326.375 2.669 0 50 EFAA Cc1nn(CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)c(C)c1C 584900572 PZNJYTBGZMCFSP-SFHVURJKSA-N 342.443 2.671 0 50 EFAA O=C(c1ccc(-n2cccc2)nc1)N1[C@H]2CC[C@H]1c1cncnc1C2 1330639361 RFXIIQZHSYOWRQ-YOEHRIQHSA-N 331.379 2.564 0 50 EFAA CCOc1ccccc1CN(C(=O)/C=C/c1cnc(N)nc1)C1CC1 952980102 FGMKBOULEBPICO-JXMROGBWSA-N 338.411 2.662 0 50 EFAA COc1cccc(OCC(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)c1 952964293 MRJUCLICCKSKBF-UHFFFAOYSA-N 341.367 2.911 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC[C@H]2c2ccc(F)cc2)nc(N)n1 952869638 XFZSWDPVKUMVFP-INIZCTEOSA-N 328.391 2.984 0 50 EFAA O=C(Cc1ccon1)N1CCOc2cc(F)c(Br)cc21 1460432950 BVOHVRQAHFLUKT-UHFFFAOYSA-N 341.136 2.544 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1coc2ccccc12 1565511218 AUTRYKAILLOKRI-RDJZCZTQSA-N 338.363 2.794 0 50 EFAA Cc1oc(CN(C)C(=O)C[C@@H]2OCCc3ccccc32)cc1C(=O)O 268948566 XXPJDEDVJCVASQ-KRWDZBQOSA-N 343.379 2.949 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(c2cccc(F)c2F)CC1 273107727 KGCZHUQIUGYWIV-NSHDSACASA-N 348.397 2.757 0 50 EFAA O=C(NO[C@@H]1CCCCO1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 164985077 BSDQRSPCFBYXBX-KFWWJZLASA-N 340.807 2.927 0 50 EFAA COc1cc(F)ccc1NC(=O)N1CCN(c2ncccc2F)CC1 270717890 YNSGUOVCGFYOLJ-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA Nc1ncncc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 185414000 FMGZVEFOYJCJBK-UHFFFAOYSA-N 336.317 2.882 0 50 EFAA CCN(C)C[C@H]1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1 170597323 USGAZIIJWSKYPQ-LLVKDONJSA-N 347.385 2.553 0 50 EFAA Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)ccn1 279034001 PMJYXWDCPHZNAD-UHFFFAOYSA-N 341.386 2.517 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 190586284 NSMRPFZFSQNJKH-CQSZACIVSA-N 332.835 2.657 0 50 EFAA COC(=O)CN(C(=O)c1scc(C)c1Br)C(C)C 191371478 IDRZULYZBJTPQE-UHFFFAOYSA-N 334.235 2.843 0 50 EFAA CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(F)cc3[nH]cnc23)C1 192950366 PHCLEELHYVOHPF-SFHVURJKSA-N 347.390 2.753 0 50 EFAA 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325.792 2.506 0 50 EFAA Cn1ccnc1C1(O)CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 1261888552 ULXPGMXRNCZTDJ-UHFFFAOYSA-N 339.182 2.576 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)Nc3nn(C)c4ccccc34)C2)n1 934456150 WIKFEKVYAKIQRC-LBPRGKRZSA-N 340.387 2.676 0 50 EFAA Cc1cc(C)cc(-n2nc(NC(=O)N[C@H]3C[C@H](C(=O)O)C3)cc2C)c1 871655080 KOZBCJWPAVNLFL-HDJSIYSDSA-N 342.399 2.782 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NCCN2CCc3ccccc3C2)[nH]1 1875265493 CYCZULZVJJADEO-UHFFFAOYSA-N 345.450 2.739 0 50 EFAA Cc1nc(-c2cn([C@@H](C(=O)NC3CC3)c3ccccc3)nn2)cs1 1875282706 PEBAFUKYLWCBPL-MRXNPFEDSA-N 339.424 2.578 0 50 EFAA Cc1ccc(COCC(=O)N2CC[C@@H]3CC[C@@]32c2nnc(C)o2)cc1 1875404806 VTWPNJORWQEKPC-LPHOPBHVSA-N 341.411 2.741 0 50 EFAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1nnc(C(C)(C)C)s1 879143192 DMWVZOJXETVYFS-NOZJJQNGSA-N 333.461 2.541 0 50 EFAA Cc1nc(O)c2ccc(C(=O)N[C@@H]3[C@H]4Cc5cc(F)ccc5[C@H]43)cc2n1 898984099 HJHOKNCKBKCSNN-CGTJXYLNSA-N 349.365 2.851 0 50 EFAA O=C(c1ccncc1Br)N1CCCC[C@@H]1c1ncon1 155705958 KUQRQMRNNQQJHP-LLVKDONJSA-N 337.177 2.595 0 50 EFAA CC[C@H](C(=O)N1CCC[C@H]1c1cccc(OC)c1)N1CCCC1=O 2325768080 BOZVOWIKCBMUAX-SJORKVTESA-N 330.428 2.760 0 50 EFAA CC(C)(C)c1ncc(Cn2cc(COc3cccc(O)c3)nn2)cn1 2325772824 QNRHUIWTKWBYRJ-UHFFFAOYSA-N 339.399 2.699 0 50 EFAA CCn1c2ccccc2c2cc(N(C)C(=O)C[C@H](N)C(=O)O)ccc21 2325774981 NSMZXZQATGWWRS-HNNXBMFYSA-N 339.395 2.579 0 50 EFAA C[C@H](NC(=O)c1ccnc(NC2CCCC2)c1)[C@@H](N)c1ccco1 2325789478 RVYLUYDCLPHGCS-YVEFUNNKSA-N 328.416 2.847 0 50 EFAA CC[C@@H]1CCc2sc(C(=O)N[C@H](C)c3nc([C@H](C)O)n[nH]3)cc2C1 2325803988 NPVGSUORNPKUON-OUAUKWLOSA-N 348.472 2.925 0 50 EFAA Cc1ccc(-c2nn(C)cc2C(=O)NCc2ccc(CN)cc2F)o1 2325857491 DHHWABZVBPZFBV-UHFFFAOYSA-N 342.374 2.516 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 248493053 JSBVGCACNVGVOF-LVPZIMMTSA-N 349.374 2.619 0 50 EFAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(O)c2)NC(=O)N1 182705 YFHLAYARHPZLCV-QGZVFWFLSA-N 338.363 2.764 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1O 2356160159 GFXOHUJZVNYXAO-GOEBONIOSA-N 329.799 2.917 0 50 EFAA O=C(Cc1cccc(F)c1F)N1CCC[C@]12CCCN(C1CC1)C2=O 2356170255 DJCQXNCGPXERTO-IBGZPJMESA-N 348.393 2.653 0 50 EFAA C[C@](O)(CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccco1 221762630 QOXZSOFJCWJHBI-HDAAZOAOSA-N 340.467 2.987 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)c2cccc(OC(C)=O)c2)c1 8907860 ZCDJHVFCEIDSHY-UHFFFAOYSA-N 327.336 2.959 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 54748176 IBWXRPZPJHVZBK-CYBMUJFWSA-N 346.394 2.854 0 50 EFAA Fc1cncc(N2CCN(Cc3ccn(C4CCCC4)n3)CC2)c1 225523638 ZMYHQWVRFOGMAA-UHFFFAOYSA-N 329.423 2.855 0 50 EFAA Cc1nccc(CNC(=O)NCc2ccsc2Br)n1 225756416 OZOSSJVXHOEMNS-UHFFFAOYSA-N 341.234 2.608 0 50 EFAA NC[C@H]1OCC[C@@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1 414638615 OIJVKGPQYSNAJV-GXSJLCMTSA-N 331.269 2.726 0 50 EFAA CCOC1CN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)C1 421895228 RGLCYSQGDTVBMH-UHFFFAOYSA-N 343.402 2.669 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 136136359 SJCQLUZQZIRQCD-SNVBAGLBSA-N 334.759 2.932 0 50 EFAA 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1704342383 AMYNQOGKQWFGOT-USTZCAOPSA-N 331.508 2.849 0 50 EFAA CCOc1ccc2nc(CN3C[C@@H]4CCCN4C(=O)[C@H]3C)ccc2c1 1772711095 WBWTYMZURTWXHL-PBHICJAKSA-N 339.439 2.829 0 50 EFAA Cc1cccc(CN2CCC[C@](O)(CN3CCC(C)CC3)C2=O)c1 12302572 BHYIZBAYHKFACA-FQEVSTJZSA-N 330.472 2.580 0 50 EFAA Cc1ccc(C(=O)NCCc2nnc(SCC(C)C)n2C)cc1 12327194 DOHYZSOPFCFNAT-UHFFFAOYSA-N 332.473 2.844 0 50 EFAA COc1cccc(CN2CCC[C@]3(CCN(CC4CC4)C3)C2=O)c1 12373117 KQHPSNWLLDSTTF-HXUWFJFHSA-N 328.456 2.920 0 50 EFAA O=C1CCN(C(=O)c2csc3c2CCCC3)CCN1CC1CC1 14993924 LSKOZPUZUGCSSY-UHFFFAOYSA-N 332.469 2.711 0 50 EFAA Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 19842744 WIBFZYNZTIYVQU-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 4843093 IOFQQDZOFFNWTG-UHFFFAOYSA-N 346.408 2.903 0 50 EFAA Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(F)cc1 4539559 XFXUXTPBENFHEG-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2cccc(F)c2C1 1857528269 MZRMKHZGXGCLRZ-NEPJUHHUSA-N 343.402 2.780 0 50 EFAA CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 129732383 MCCCJPRJWLDKDB-QMMMGPOBSA-N 336.741 2.813 0 50 EFAA O=C(O)c1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 14559591 NFMRGAHVZBQSOK-UHFFFAOYSA-N 338.363 2.873 0 50 EFAA in-vitro O=C(c1cn([C@@H]2CCCN(CC3CCCCC3)C2)nn1)N1CCCC1 14993902 HVFGNSFHQMFTGT-QGZVFWFLSA-N 345.491 2.731 0 50 EFAA Cn1ncnc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 151045435 SXFPLULQWITULY-UHFFFAOYSA-N 337.170 2.560 0 50 EFAA O=C(CC[C@H]1CCCO1)NC1CCN(Cc2ccc(F)cc2)CC1 363384634 NJKSDEZCTWZPSA-GOSISDBHSA-N 334.435 2.866 0 50 EFAA CC(C)[C@@]1(CO)CCCN(C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 819051101 OFZIYDUJSHPTBW-IBGZPJMESA-N 347.386 2.803 0 50 EFAA CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(O)n[nH]1 932283972 JIOIASHIRCEURU-VIFPVBQESA-N 326.322 2.696 0 50 EFAA Cc1ccc(NC(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)cc1 874434369 MCZRPWXMZJDVQA-INIZCTEOSA-N 328.416 2.754 0 50 EFAA CC(C)c1nc([C@H]2CN(CCCc3cncn3C)C[C@@H]2C2CC2)n[nH]1 952888177 LXCLTWRIWREKPA-SJORKVTESA-N 342.491 2.720 0 50 EFAA CC(C)(C)n1nccc1CN1CC[C@](C(=O)O)(c2ccccc2)C1 1875283079 FHLDDBKJIPHXOD-LJQANCHMSA-N 327.428 2.866 0 50 EFAA CN(CCC1CC1)C(=O)N=c1[nH]nc(SC(F)(F)F)s1 1875289536 ZGWCILWTLPUODO-UHFFFAOYSA-N 326.369 2.836 0 50 EFAA NCc1ccc(-c2noc(C[C@@H]3CC(=O)Nc4ccccc43)n2)cc1 1875340701 NTMLSHYHHJZSPN-AWEZNQCLSA-N 334.379 2.864 0 50 EFAA COC(=O)[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1875370407 NRMAWSAFLWFPFW-WPRPVWTQSA-N 331.199 2.802 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(F)cn1 886094582 ADSSJXASOPMRMX-FVMIAERFSA-N 332.423 2.999 0 50 EFAA Cc1cccc(CC2(O)CCN(c3cccc(F)c3C(N)=O)CC2)c1 893620836 MOIIBMPRBDYVTA-UHFFFAOYSA-N 342.414 2.807 0 50 EFAA COc1cc(F)cc(NC(=O)N2CCN(c3ccncc3)[C@@H](C)C2)c1 1774531376 SVIFAYVDBXIJPK-ZDUSSCGKSA-N 344.390 2.972 0 50 EFAA CCOC(=O)[C@]1(CC)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O 34336 MAXUMEIVVUHYLR-GTNSWQLSSA-N 348.424 2.930 0 50 EFAA O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 4577771 GDLCPBKSWGLXRT-SUMWQHHRSA-N 343.404 2.629 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CCC(N)CC3)ncnc21 2100545115 PXVCSNLQBNITOA-UHFFFAOYSA-N 330.480 2.752 0 50 EFAA CN1CCc2cc(C(=O)NCc3nc4c(F)cccc4o3)sc2C1 2325798052 KCSUQPKWAYEPGD-UHFFFAOYSA-N 345.399 2.946 0 50 EFAA CC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 77494 FQDVOWVPTBWDJA-UHFFFAOYSA-N 336.347 2.514 0 50 EFAA CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1 141470 HRDYWODQYYNECM-UHFFFAOYSA-N 325.773 2.863 0 50 EFAA COc1cccc(OCCN2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356137369 LJJJLPHWHFEPOP-FQEVSTJZSA-N 344.455 2.693 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3c(OC)ccc(F)c3F)C[C@H]21 2356164337 PDNZIVPVBPPMSI-IUUKEHGRSA-N 339.382 2.987 0 50 EFAA CCc1nnc(O)c(CNC(=O)c2ccn(C)c2C2CCC2)c1CC 342961960 VIQWSNZMFPZREF-UHFFFAOYSA-N 342.443 2.843 0 50 EFAA COc1cc(Br)c(CN2CCCN(C)CC2)cc1OC 22586548 CAPPZGDXDOBFFZ-UHFFFAOYSA-N 343.265 2.604 0 50 EFAA CCc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)[nH]n1 102538507 RYHSBFBHNVSFKZ-KRWDZBQOSA-N 343.427 2.672 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)CC[C@@H]1CCCCN1C)CO2 246983316 MUDOEDRHNFGPET-IRXDYDNUSA-N 346.471 2.579 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67833619 XXMUJUMVOXJQBI-INIZCTEOSA-N 342.443 2.545 0 50 EFAA O=C(C1CCOCC1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279962887 KNJHSDDKPVNVNL-IUODEOHRSA-N 343.345 2.766 0 50 EFAA CCc1nc(C)c(CN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)[nH]1 12317191 BEAAYGBCUZWEGO-HXUWFJFHSA-N 344.503 2.895 0 50 EFAA Cc1cnccc1C(=O)NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 67847712 GCBWVNTWHFUFGI-HNNXBMFYSA-N 349.438 2.518 0 50 EFAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cccc(F)c2)c1 219968549 VWAUOZJNJHNFPE-ROUUACIJSA-N 328.387 2.552 0 50 EFAA COc1ccc2[nH]nc(C(=O)N(C)CCc3scnc3C)c2c1 72454374 ONHHHJCQCDHIJY-UHFFFAOYSA-N 330.413 2.651 0 50 EFAA COc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 355322943 VVNYCXDFQYKYSS-QGZVFWFLSA-N 326.396 2.514 0 50 EFAA Cc1cccc([C@H](CNC(=O)N2CCC23CCC3)N2CCOCC2)c1 435579165 NQIBZHQUNQRTTF-SFHVURJKSA-N 343.471 2.706 0 50 EFAA C[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1n1ccnc1 124889716 AMYKOSYDEZJDCI-UKRRQHHQSA-N 329.448 2.637 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)c1 329922839 GQFOUJKNFLUFFE-AWEZNQCLSA-N 338.473 2.523 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@H](CO)[C@H](O)C1 72162947 WSBYFBWKTBMLLS-SJLPKXTDSA-N 326.396 2.561 0 50 EFAA O=C(NCC1C2CC3CC(C2)CC1C3)[C@@H]1CCCN1C(=O)C1CC1 153616639 VEEFSBDSKZTIEV-FLWRFNHKSA-N 330.472 2.576 0 50 EFAA O=C(c1c[nH]cn1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12433634 KACXPQAEDYZZFY-FQEVSTJZSA-N 338.455 2.581 0 50 EFAA COc1ccc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)c(Cl)c1 262501703 IKMJWTVFIPVEOV-CQSZACIVSA-N 340.851 2.720 0 50 EFAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCNC(=O)[C@H]1c1cccs1 331448359 LXFOQHQKZRDPFU-MGPLVRAMSA-N 347.440 2.546 0 50 EFAA Brc1cccc(-c2nnc(CSc3cnn[nH]3)o2)c1 155870996 YGOLRIOYNYNHIU-UHFFFAOYSA-N 338.190 2.910 0 50 EFAA COc1cccc(N(CCC(=O)O)S(=O)(=O)c2ccc(C)cc2)c1 71769226 SAXNGOTUDZEJOV-UHFFFAOYSA-N 349.408 2.674 0 50 EFAA NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1 36948842 HJMZIVOZXGSMNO-UHFFFAOYSA-N 328.187 2.889 0 50 EFAA Cc1cccc2cc(CN3CCO[C@@H](C(F)(F)F)C3)c(=O)[nH]c12 71403946 YOAXIOLBTWOLQS-CYBMUJFWSA-N 326.318 2.600 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cc(C)n(Cc2ccccc2)c1C 237259091 GAPNZTHFRSHLCI-GOSISDBHSA-N 325.456 2.977 0 50 EFAA C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN)o2)CCN1Cc1ccccc1 237529243 QMTAHJVYXWMNOR-RDJZCZTQSA-N 341.455 2.863 0 50 EFAA O=C(c1cc(F)cc2nccnc12)N1CC[C@H](O)c2ccccc2C1 378628048 CDEOVRGULHQREQ-KRWDZBQOSA-N 337.354 2.848 0 50 EFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 215664586 PQNYPGYGRCPRRH-LJQANCHMSA-N 349.438 2.642 0 50 EFAA COc1ccc(-n2cccn2)c(CN(C)Cc2nncn2C(C)C)c1 77419814 RUELLUJHGGFIPG-UHFFFAOYSA-N 340.431 2.685 0 50 EFAA O=C(c1ccc([C@H]2CCCNC2)cc1)N1CCC(N2CCCC2)CC1 215627989 CMWYXONOEFZPJC-IBGZPJMESA-N 341.499 2.854 0 50 EFAA Cc1cc(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc(C)c1Cl 282938213 GNDHWGGNBDWRPG-JTQLQIEISA-N 344.864 2.855 0 50 EFAA CC(C)c1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1 72170407 UWVMCHJKYGJPPM-AWEZNQCLSA-N 327.432 2.666 0 50 EFAA Cc1cc(C)n(C[C@H](C)n2ccnc2C(C)(C)CN2CCOCC2)n1 71388562 AHVXSYDRSBSGAD-KRWDZBQOSA-N 345.491 2.567 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1cc(Br)cs1 238076960 LZVQMRIYGBUZIM-FSIBCCDJSA-N 330.203 2.599 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccoc3)CC2)cc1 72420514 AQCHRHHWCSXGKY-UHFFFAOYSA-N 329.352 2.726 0 50 EFAA CC1(C)CN(C(=O)Nc2cnns2)C[C@@H](COc2ccccc2)O1 286101007 IIOOBPILHZERIL-ZDUSSCGKSA-N 348.428 2.628 0 50 EFAA CCCc1cc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)n(C)n1 82097776 NNQWOOXKZILABH-LJQANCHMSA-N 337.423 2.989 0 50 EFAA Cc1nc(CCCC(=O)NC2CCN(CC(F)(F)F)CC2)cs1 175882881 BGZZTOQSLKKOEX-UHFFFAOYSA-N 349.422 2.917 0 50 EFAA O=C(c1ccc(F)cn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 287777813 IHCYJNWDFLAHTD-JFIYKMOQSA-N 326.371 2.865 0 50 EFAA O=S(=O)(NC[C@@H](O)c1cccc(F)c1)c1ccc(Cl)s1 160035035 JFYXMZDNJUOUIL-SNVBAGLBSA-N 335.809 2.553 0 50 EFAA Cc1ccc(NCCCNc2cc(C3CC(O)C3)nc(C)n2)nc1 222863049 VJSNLTDWDNDBOB-UHFFFAOYSA-N 327.432 2.641 0 50 EFAA Cc1cc(F)ccc1-c1cccc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1 426711975 CPISTINZVWELBC-MSOLQXFVSA-N 342.414 2.596 0 50 EFAA O=C(NCc1ccco1)C1CCN(C(=O)NCc2ccsc2)CC1 426518226 GBCSMDUQWMWLGQ-UHFFFAOYSA-N 347.440 2.579 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(-c2cccnc2)on1 265571948 LRGZORWJSVXJIJ-GLQYFDAESA-N 341.367 2.595 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](c2ccccc2)c2nnc(N)s2)no1 85532713 ZFHMZBWCBVZGCJ-CYBMUJFWSA-N 343.412 2.751 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 178971474 KQIAISUHGZZVIE-QWRGUYRKSA-N 331.243 2.829 0 50 EFAA COc1ccccc1CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237146320 BKZCDWPGUIVTAV-KRWDZBQOSA-N 339.391 2.666 0 50 EFAA COCCCN1CC[C@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 426424223 IIDAHOAGQUCVCW-CYBMUJFWSA-N 334.391 2.660 0 50 EFAA O=C(N1CCCC1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95381063 CGCLPTWTGVAQAP-CQSZACIVSA-N 345.472 2.783 0 50 EFAA O=C(c1csc2c1CCCC2)N1CCC2(CC1)OCCC[C@@H]2O 91365029 ORZGIVMGNGQYAN-INIZCTEOSA-N 335.469 2.773 0 50 EFAA 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CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccncn2)cc1 909008010 LUXVOAUUWFZMKM-OAHLLOKOSA-N 327.384 2.720 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1)c1cnc2n1CCCCC2 909331014 AUYXBLPAJVAIFO-OAHLLOKOSA-N 347.802 2.819 0 50 EFAA CCc1cc(=NC(=O)NC2(c3nc(C)no3)CC2)c2ccccc2[nH]1 931452769 LWGVCNRVYOAROQ-UHFFFAOYSA-N 337.383 2.721 0 50 EFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCc2cccnc2C1 1875295654 NCONODLXNZXZPL-HNNXBMFYSA-N 336.313 2.719 0 50 EFAA CO[C@]1(c2nnc(-c3ccc(C(F)(F)F)nc3C)o2)CCOC1 886085272 CBSZWXZCYMXSCZ-CYBMUJFWSA-N 329.278 2.721 0 50 EFAA CC(=O)N1C[C@@H](NCc2cnn(C(C)(C)C)c2)CC[C@@H]1C(F)(F)F 886031031 APDLIIWKRFXPID-UONOGXRCSA-N 346.397 2.670 0 50 EFAA O=C(N[C@H]1CCCN(c2cc(O)ncn2)C1)c1ccc2ccccc2c1 892883027 SBBUCQYYWSPXPO-KRWDZBQOSA-N 348.406 2.734 0 50 EFAA CC(C)C(=O)N1CCCC[C@@H]1c1nc(-c2ccc(CCO)cc2)no1 896845490 ZQISDHILTKTPKN-MRXNPFEDSA-N 343.427 2.981 0 50 EFAA CCOc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 2867301 FQFMNFWLOQMGOR-CQSZACIVSA-N 343.379 2.664 0 50 EFAA 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EFAA CC(C)c1ncc(Cl)c(C(=O)N(C[C@H](C)C(=O)O)C2CC2)n1 236863154 YUZZVIVWQDZMHL-VIFPVBQESA-N 325.796 2.579 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 261891302 NVNSETGGRMJDIZ-ZDUSSCGKSA-N 333.384 2.565 0 50 EFAA O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC=C(c2ccccc2F)C1 375275177 MPVXXFJCDQXNEE-CYBMUJFWSA-N 327.359 2.592 0 50 EFAA Cc1cccc([C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C(=O)O)c1C 262923584 FKWPQFNWKLEWEI-IRXDYDNUSA-N 325.364 2.549 0 50 EFAA Cc1nc(Cc2noc(-c3cc(C)c(Br)o3)n2)no1 901912622 LKDRVNZWEKIAHM-UHFFFAOYSA-N 325.122 2.683 0 50 EFAA CCn1cc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)c(C2CC2)n1 902017712 RKQPLMHJPUAAGR-HOCLYGCPSA-N 339.395 2.823 0 50 EFAA Cc1c(NC(=O)[C@@H]2CCCC(=O)N2C)cnn1-c1ccc(Cl)cc1 908248631 LFUKYQRNVJGBSD-HNNXBMFYSA-N 346.818 2.784 0 50 EFAA COc1ccc(-c2cc(N(C)Cc3noc4c3COCC4)n[nH]2)cc1 929993927 KQOBWQHGBVQPGA-UHFFFAOYSA-N 340.383 2.782 0 50 EFAA COc1nsc(OC)c1C(=O)N1CCN(c2ccccc2)C[C@@H]1C 952992273 CQVYRSXCPVCRIL-LBPRGKRZSA-N 347.440 2.511 0 50 EFAA C[C@@H](CN(C)S(=O)(=O)Cc1ccc2nonc2c1)c1ccccc1 1875289592 BXAIUNBXURLTMV-ZDUSSCGKSA-N 345.424 2.788 0 50 EFAA C[C@H](C(=O)NCCN(c1ncnn2cccc12)C1CC1)c1ccccc1 1875335657 AXZYKJGUBYSMOU-HNNXBMFYSA-N 349.438 2.618 0 50 EFAA Cc1nc(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)c2ccoc2)s[nH]1 1875407556 COLHDVPPVUIQEG-KBPBESRZSA-N 348.472 2.898 0 50 EFAA CN1C(=O)C[C@@H](CNc2nc3ccccc3n2C)[C@@H]1c1ccncc1 886044986 TVKIVFWAOHOIBF-KSSFIOAISA-N 335.411 2.600 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc3c(c2)OCCO3)C1 888102966 XALBNMZGPYFWFE-CVEARBPZSA-N 343.427 2.760 0 50 EFAA C[C@H]1CC[C@@H](CN)CN1C(=O)CCc1c(Cl)cncc1Cl 2325797589 HFPYDDGHZKDVPY-QWRGUYRKSA-N 330.259 2.907 0 50 EFAA Cc1nn2c(c1C(=O)N[C@H](Cn1ccnc1)c1ccccc1)CCCC2 2325798629 JCPLXFTVDQZPDG-QGZVFWFLSA-N 349.438 2.896 0 50 EFAA C[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 475776 IVBXGWQNGCEREI-ZDUSSCGKSA-N 332.425 2.679 0 50 EFAA C[C@@H]1CC(NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)C[C@@H](C)O1 222156951 WZWUYVIGQMITLP-JFIYKMOQSA-N 330.472 2.623 0 50 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c1cncc(-c2nc3c(c(N[C@@H]4CCc5c[nH]nc5C4)n2)CCC3)c1 490073656 RBPQPTOGHJIQCT-CQSZACIVSA-N 332.411 2.720 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCc2cnccc21 158063308 BTRUMWUAFGKVLL-UHFFFAOYSA-N 338.333 2.589 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 237263222 JRRTVKJDMUJRCD-ZDUSSCGKSA-N 332.835 2.597 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@H]([C@H](C)N)C3)c(C)o2)cc1 237461902 UNFKCJPKPUQAPB-WFASDCNBSA-N 343.427 2.858 0 50 EFAA COc1ccc(CNC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc1 284439609 FMMRZXHKTJHWTJ-QFBILLFUSA-N 328.460 2.601 0 50 EFAA C[C@@]12CC=CC[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1 45069972 PKCQYNKMTQUWBW-IKCIUXDWSA-N 328.231 2.931 0 50 EFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCc1cccnc1 220035161 ICKHTYFTDSTZND-HXUWFJFHSA-N 337.467 2.995 0 50 EFAA O=C(Nc1cccc(NS(=O)(=O)c2cn[nH]c2)c1)C1CCCCC1 175019088 KOPZJMZLPWESIY-UHFFFAOYSA-N 348.428 2.729 0 50 EFAA O=C(NCc1ccc(Br)s1)N1CCC[C@H](O)CC1 457797092 IWEYVKDCBJKMAL-VIFPVBQESA-N 333.251 2.567 0 50 EFAA C/C(=C\C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cccc(F)c1 286228971 KHLIJZZZIASJCO-NRSRBWNISA-N 333.403 2.617 0 50 EFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2nc3ccccc3[nH]2)C1 19790146 KZUVMIXJIDJNGN-IBGZPJMESA-N 345.443 2.745 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)Cc1ccc(N(C)C)cc1)nn2C 223828743 SMJJEUMWNWYNMB-UHFFFAOYSA-N 336.439 2.807 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n[nH]1 426533768 INNYHUHKPJGRKF-HNNXBMFYSA-N 340.362 2.620 0 50 EFAA CCN1CCC[C@@H]1CSc1nnc(CN)n1-c1ccccc1C 426693868 UIQURJDIVCJMMP-CQSZACIVSA-N 331.489 2.611 0 50 EFAA O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@H]1CN1CCCC1 178496191 JVBZCOZOOCNACI-LBPRGKRZSA-N 345.369 2.538 0 50 EFAA COC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 95530270 JZSMULWVGSUWTP-NSHDSACASA-N 326.780 2.769 0 50 EFAA Cc1nccn1CCCC(=O)N1CCCC[C@@H]1CCN1CCCC1 95370644 FULSINQBCRGZJM-GOSISDBHSA-N 332.492 2.839 0 50 EFAA Cc1n[nH]c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)n1 95362172 DRMPEWSIWXKWJJ-ZDUSSCGKSA-N 327.432 2.590 0 50 EFAA CC(C)(C)/C=C/[C@H](C(=O)O)N1CCCN(Cc2ccccn2)CC1 95378034 AFQJOSSXNIFBHH-KBOKABMXSA-N 331.460 2.645 0 50 EFAA CSCCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91664301 NFEYQRWQFFJHRG-OAHLLOKOSA-N 344.484 2.786 0 50 EFAA COc1ccc(-n2ccnc2CN(C)[C@H](C)Cc2cnccn2)cc1 97527908 XIPPCYZCSOWERJ-OAHLLOKOSA-N 337.427 2.734 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 91951432 JCHNEJWQDMNHTL-VIFPVBQESA-N 343.214 2.861 0 50 EFAA Cc1cn2c(=O)cc(CN3CCC[C@@H]3c3ccccn3)nc2s1 244898802 ZBUUONDSNGCEOK-OAHLLOKOSA-N 326.425 2.797 0 50 EFAA CCCc1cc(NC[C@H]2CC[C@H](C(=O)NC)CC2)n2nccc2n1 247968523 TUAIZRPYVQGMBA-HDJSIYSDSA-N 329.448 2.646 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1cncs1 243956743 CDBMOOLLXSZPPC-HACGYAERSA-N 339.420 2.933 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](C)N1CCCCCC1 243932504 BWENVWDJQHSPIH-CYBMUJFWSA-N 346.397 2.591 0 50 EFAA Cc1nc(O)cc([C@H]2C[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)n1 253535251 JBMDHNGURMRLRO-BETUJISGSA-N 341.386 2.724 0 50 EFAA Cc1nc(N)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 299786348 STEIRJSMNLSVOV-LLVKDONJSA-N 328.397 2.737 0 50 EFAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cc2ncccn2n1 828219327 ZYCREFDFXMQUFT-ZDUSSCGKSA-N 338.367 2.539 0 50 EFAA OC[C@H]1CCCN(CCNCc2nc(-c3ccc(F)cc3)cs2)C1 952963893 AJQURVGFKLNUJT-AWEZNQCLSA-N 349.475 2.743 0 50 EFAA CC(C)[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1N(C)C 1565526707 JGFHJADLLASYRL-CJNGLKHVSA-N 342.842 2.903 0 50 EFAA C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1C(F)(F)F 268986326 PVGZDPAZJBEDKI-GXFFZTMASA-N 345.317 2.511 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3cc(Cl)ccc3o2)n1 275353664 MCFLENQDCIOWIV-VXGBXAGGSA-N 347.758 2.726 0 50 EFAA COc1cc2c(=O)[nH]c(COC3CCCC3)nc2cc1OC(F)F 170004050 DCJSFSQMNKXJRM-UHFFFAOYSA-N 340.326 2.992 0 50 EFAA O=C(NC[C@H](c1ccccc1)C(F)(F)F)N[C@@H]1C=C[C@H](CO)C1 186997457 NHEMPWJKWUFKLE-IACUBPJLSA-N 328.334 2.569 0 50 EFAA O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCCC2(CC2)C1 187940479 NJOWADONRVGGRW-UHFFFAOYSA-N 329.425 2.708 0 50 EFAA O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc2sccc2[nH]1 189255583 PYRWDPWSMBYALY-SNVBAGLBSA-N 330.388 2.772 0 50 EFAA O=C(NCCc1ccc(F)c(F)c1)N1CCC(Cn2cccn2)CC1 190302813 QDSOAUNPDRNJFF-UHFFFAOYSA-N 348.397 2.826 0 50 EFAA c1cncc(-c2nc3c(c(N[C@H]4CCN(CC5CC5)C4)n2)CCC3)c1 676081313 XHGBKBIWXYXNIS-INIZCTEOSA-N 335.455 2.924 0 50 EFAA CS(=O)(=O)N(Cc1cccnc1)c1cccc(Br)c1 193616802 NVWPABDWZOVNCY-UHFFFAOYSA-N 341.230 2.810 0 50 EFAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 528421 JOSWGNSWLIGJOY-UHFFFAOYSA-N 348.424 2.634 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCc2ccccc2CN2CCCC2=O)n1 1506397286 RKSVAXAKFDIAJW-MRXNPFEDSA-N 340.471 2.801 0 50 EFAA O=C(NC[C@H]1CCCO1)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 614578 HKPHZUHHXSNXKN-YGRLFVJLSA-N 343.210 2.782 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(F)cc3Cl)CCN12 1529168092 WYORPXKBAZFTFU-UONOGXRCSA-N 340.826 2.804 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O 1704312081 YVUJRQWVKMEVON-VHDGCEQUSA-N 345.361 2.840 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCN1CCCCCC1=O)C2 1704339364 JJSFOCJDMJKAQF-VQIMIIECSA-N 336.476 2.587 0 50 EFAA O=C([C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 16579918 MBZKLKFCGYJSLU-OAHLLOKOSA-N 343.254 2.817 0 50 EFAA Cc1cc(OCC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl 16603292 LLGANQQXTFTADJ-UHFFFAOYSA-N 348.830 2.965 0 50 EFAA CCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 16605796 NAVVAULOUFFLFJ-UHFFFAOYSA-N 325.250 2.592 0 50 EFAA O=C(NC[C@H]1CCCO1)c1ccc(-n2nncc2-c2ccccc2)cc1 16607376 RKWAMSYDBPOLQR-GOSISDBHSA-N 348.406 2.843 0 50 EFAA c1ccc(CN2CCC[C@@H](NCc3ccc4c(c3)OCCO4)C2)nc1 19218003 MAEZVGZEZOWKKM-GOSISDBHSA-N 339.439 2.607 0 50 EFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(C2CCCCC2)C1=O 19878564 QBPSYSBGRARKKS-CQSZACIVSA-N 333.409 2.937 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)C[C@@H]1C 2499395 DJLGSTKNGBXRSF-ZANVPECISA-N 333.384 2.587 0 50 EFAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4503066 NIUQCENHNRIGDS-SNVBAGLBSA-N 333.750 2.866 0 50 EFAA O=C1CC2(CCN(Cc3ccccc3C(F)(F)F)CC2)OCCN1 1857681742 DVLLXAVYRFPRBI-UHFFFAOYSA-N 342.361 2.577 0 50 EFAA Cc1c(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)nc2ccccn12 1857711412 XZLQEGFNJJEWKX-GOSISDBHSA-N 348.450 2.771 0 50 EFAA CC(=O)N1CCC[C@@H](c2noc(-c3cc(Br)co3)n2)C1 331621607 UFKPELXBQSRJOV-SECBINFHSA-N 340.177 2.818 0 50 EFAA CN(C)c1ccc(-c2nccn2[C@H](CO)c2ccc(F)cc2)cn1 1875243869 BRJPGDFVUNAGOY-MRXNPFEDSA-N 326.375 2.732 0 50 EFAA COc1ccccc1Oc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 4385070 FZUQBYHJGYTYHR-GFCCVEGCSA-N 327.336 2.925 0 50 EFAA CCCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 230233816 FKMJUXSKVSGRAA-ZNMIVQPWSA-N 327.490 2.651 0 50 EFAA CC(C)n1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1 328588374 OMGMIYRQHHQPKW-GXTWGEPZSA-N 334.445 3.519 0 50 EFAA Cc1cc(NC(=O)[C@H]2OCCc3ccccc32)ccc1C(=O)N(C)C 122464873 YBAFLYHUDYHGKF-SFHVURJKSA-N 338.407 2.949 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCOc1ccccc1Cl 345756314 FZJQUHVXEMNHSO-FVQBIDKESA-N 325.836 2.581 0 50 EFAA CSCC[C@H](O)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 358903726 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2.756 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2oc(CC)nc2C)C3)o1 952851718 SWMHRUNCBZASCP-SGTLLEGYSA-N 344.415 2.685 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)c3cc4n(n3)CCCC4)[C@H]2C)o1 952852811 UMYQIGWFKMTEKJ-JSGCOSHPSA-N 343.431 2.573 0 50 EFAA C[C@@H](CNS(=O)(=O)CC[C@H]1CCCC1(F)F)c1nccs1 952995569 QCOBXXSIBRVDFT-WDEREUQCSA-N 338.445 2.992 0 50 EFAA COc1c(Cl)cccc1C(=O)N(C[C@H]1CCCO1)c1ccnnc1 1875276219 JIZPFNCFZVHOIC-CYBMUJFWSA-N 347.802 2.964 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(OC2CCC2)CC1 1875314684 MFMPQZLENIBLIE-OLZOCXBDSA-N 347.459 2.616 0 50 EFAA CCOC(=O)c1cccc(COc2ccc(Cl)cc2C(N)=O)n1 1875354432 VTGCIYSWEOBJBI-UHFFFAOYSA-N 334.759 2.590 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(-c3ccccc3)n2)C1 884567500 KSZJLVZDBBWZQZ-CQSZACIVSA-N 341.415 2.960 0 50 EFAA CN(C)Cc1cc(O[C@H]2CCN(CCc3cccs3)C2)ccn1 886050549 YPIYAIGQDCZFCQ-KRWDZBQOSA-N 331.485 2.901 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Oc3ccccc3)n2)C1 889469644 LRAOYVHKGSRULB-CYBMUJFWSA-N 340.383 2.603 0 50 EFAA COc1cccc2c1N(C(=O)c1ccc(=O)n(C)n1)C(C)(C)C[C@@H]2C 1775997677 JLUIXQBIYQGQAV-LBPRGKRZSA-N 341.411 2.722 0 50 EFAA CC(C)=CCNC(=O)c1conc1C1CN(C(=O)OC(C)(C)C)C1 1776005413 FHLORIVVNLNLOS-UHFFFAOYSA-N 335.404 2.705 0 50 EFAA O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1 62112 ZSTKASWKKCILJO-UHFFFAOYSA-N 343.766 2.769 0 50 EFAA CCOc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 84323 FUIHHMORQOEWCP-MRXNPFEDSA-N 325.368 2.847 0 50 EFAA COc1cccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)c1 361371 WCXILFZLQMDWOJ-UHFFFAOYSA-N 343.408 2.780 0 50 EFAA Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1 379285 ODLDMXVUQAOMTH-UHFFFAOYSA-N 338.473 2.518 0 50 EFAA COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 470838 ZXNRYWUNPRBWAI-UHFFFAOYSA-N 339.750 2.998 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3n[nH]c4ccccc34)C[C@H]21 2356148537 DVZRHOBWMQMZTI-OHNRDTAOSA-N 327.428 2.505 0 50 EFAA CO[C@H](C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1 279808237 AEJZPCBYYBKYPZ-SNVBAGLBSA-N 332.335 2.896 0 50 EFAA Cc1csc2c(NCc3cccc(NS(C)(=O)=O)c3)ncnc12 225455126 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CQGYNDXDMWHFIW-OAHLLOKOSA-N 329.425 2.502 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ncn[nH]1 65372927 SJKHCQGSYNZTIT-GFCCVEGCSA-N 344.378 2.906 0 50 EFAA Cn1cc(C(=O)Nc2nnc(C3CCC3)s2)c2ccccc2c1=O 61720793 DYEFCYKTVDHACD-UHFFFAOYSA-N 340.408 2.910 0 50 EFAA COc1cccc([C@@H]2CCN(Cc3ccc(C(=O)O)cc3)C[C@H]2O)c1 65376403 YJCZJJPQAXDTLM-RBUKOAKNSA-N 341.407 2.744 0 50 EFAA CC(=O)N1CCC(NC[C@H](c2ccc(F)cc2)N2CCCC2)CC1 65451533 ILJKCFGJZWRYHR-LJQANCHMSA-N 333.451 2.563 0 50 EFAA O=C1[C@@H](Cc2c[nH]c3ccccc23)NC(=S)N1Cc1ccccc1 270546 DWYPPIGSSKJBOL-QGZVFWFLSA-N 335.432 2.996 0 50 EFAA biogenic CCOc1ccccc1N(Cc1ccc(C(=O)O)cc1)S(C)(=O)=O 39404052 WQJGFIOLHLHLNJ-UHFFFAOYSA-N 349.408 2.750 0 50 EFAA N[C@@H]1CC[C@H](C(=O)Nc2ccccc2OCCc2ccccn2)C1 72433071 IGARFGYKZLXMQS-LSDHHAIUSA-N 325.412 2.769 0 50 EFAA O=C(C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccnc1 215638216 ZUMIJLCVMSPEGI-AWEZNQCLSA-N 335.363 2.812 0 50 EFAA CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)C2CCOCC2)cc1 229747218 GPAAYWDHXOZYEU-IPMKNSEASA-N 331.456 2.817 0 50 EFAA CCN1CCC[C@@H](CN(C)c2ncc(Cl)cn2)[C@@H]1c1cnn(C)c1 328642209 YGDORHGMBVCWBG-XJKSGUPXSA-N 348.882 2.773 0 50 EFAA Nc1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)ccn1 77285254 XZORVFFYEOXENU-KRWDZBQOSA-N 337.423 2.718 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)cc1OC 5029714 GUYXGVIFZRWVCU-QGZVFWFLSA-N 344.342 2.975 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1OC 71753078 RNMMTHHUZRYHSQ-OAHLLOKOSA-N 341.411 2.902 0 50 EFAA COc1ccc(CN=c2ccnc(N(C)C)[nH]2)c(OC2CCCC2)c1 479456890 UMQZFFWKBOSNER-UHFFFAOYSA-N 342.443 2.907 0 50 EFAA Cc1c(Cn2ccnc2-c2cc3n(n2)CCNC3)oc2ccccc12 72421796 ASZNDFYLFNJTQY-UHFFFAOYSA-N 333.395 2.953 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)N[C@@H]3CCc4ccccc43)o2)no1 15073544 YRHSKPFEFPQJSJ-CQSZACIVSA-N 338.367 2.769 0 50 EFAA Cc1c(CNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)oc2ccccc12 362363478 YQWJGUAWKABUJR-IFXJQAMLSA-N 344.411 2.879 0 50 EFAA Cc1cccc(NC[C@H]2CCN(Cc3nnc4n3CCCCC4)C2)n1 365081709 DHAQLQLTFRASDK-MRXNPFEDSA-N 340.475 2.642 0 50 EFAA O[C@@H]1CCc2cnn(CCOc3ccccc3C(F)(F)F)c2C1 438916975 HLDJMRRNFHWWGW-GFCCVEGCSA-N 326.318 2.831 0 50 EFAA Cn1cc(N2CCC[C@@H](NC(=O)C(C)(C)c3ccccc3F)C2)cn1 154002221 DCMRUAJIPFTZOR-CQSZACIVSA-N 344.434 2.622 0 50 EFAA COCC1=CCN([C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 367079506 GSFFZISPGQTLTJ-WOJBJXKFSA-N 340.467 2.943 0 50 EFAA COc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc(C)n1 331825608 ANXQJKPUQKMJAC-CJNGLKHVSA-N 348.349 2.625 0 50 EFAA O=C(c1cnc(-c2ccccn2)nc1)N1CCc2ccccc2CC1 1126231504 IRUTXXKRNZNUEV-UHFFFAOYSA-N 330.391 2.780 0 50 EFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCOc2ccccc21 261748371 UMFDZNPVIMMUTJ-FUHWJXTLSA-N 337.375 2.763 0 50 EFAA Cc1nnc(NC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)s1 496417000 CTJWODZOKGZOLW-KOLCDFICSA-N 342.465 2.970 0 50 EFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cnn2c1CCCC2 72479965 IGSTUITVSSTNFP-UHFFFAOYSA-N 337.383 2.542 0 50 EFAA COc1ccc(C(=O)N2CC([C@H]3CCOC3)C2)c(OCC2CC2)c1 373418648 RKQUUZCKHXWHJX-AWEZNQCLSA-N 331.412 2.593 0 50 EFAA CC(C)c1csc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)n1 71419277 OVKGYCOJYOYQFA-UHFFFAOYSA-N 348.453 2.767 0 50 EFAA CCCn1ccnc1CN1CCC(c2nnc3n2CCCCC3)CC1 72154495 JUPFNGAMYSLIDA-UHFFFAOYSA-N 342.491 2.991 0 50 EFAA COc1c[nH]c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1=O 71730352 ABSPSXGZPKKUFC-QGZVFWFLSA-N 334.803 2.610 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)N1CCOC[C@@H]1c1cccn1C 450907123 QBUGNJDRFJVWOD-GOSISDBHSA-N 325.412 2.820 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccn1 159865766 KJIHURAVBMHUBP-INIZCTEOSA-N 326.352 2.953 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)n(C)n1 82100049 POROGZQQTAQLIF-INIZCTEOSA-N 342.443 2.760 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 285323190 NUTXZVUDGLWUNO-LLVKDONJSA-N 339.399 2.850 0 50 EFAA CC[C@@H](NC(=O)c1cnc2ccnn2c1C)c1nc(C)c(C)s1 426593801 OTLVCKZJCHGADO-CYBMUJFWSA-N 329.429 2.992 0 50 EFAA COc1cccc(N2CCN(Cc3ccc(F)c(OC)c3)CC2=O)c1 82120657 JIZDGVIZZMKFHW-UHFFFAOYSA-N 344.386 2.692 0 50 EFAA Cc1nc(CCN[C@H]2CCOC3(CCOCC3)C2)sc1Cl 82097437 ASLTYADDRSHHKW-LBPRGKRZSA-N 330.881 2.965 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H](CCC(=O)O)C1 263424198 LVOVAUMIIDEPQU-ZDUSSCGKSA-N 343.383 2.762 0 50 EFAA CCc1ccc([C@@H](O)CNC2CCN(c3nccs3)CC2)cc1 287381483 IGJBHUNXZLXIGQ-KRWDZBQOSA-N 331.485 2.998 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@H]1O)c1ccccc1 426658627 ZWUZDQFQTCIMPD-WOJBJXKFSA-N 349.434 2.533 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[S@](=O)C(C)(C)CC1 333837842 MSIWIWLKXXPSFO-MYODQAERSA-N 338.477 2.619 0 50 EFAA Cc1ccc(CN(CCN(C)C)c2cc([C@H]3CCOC3)ncn2)cc1 426395939 KEAHLCCZKXTJTR-SFHVURJKSA-N 340.471 2.857 0 50 EFAA CC[C@H](O)Cn1nc(-c2ccc(O)cc2)nc1CCc1cccnc1 91737565 CPFOYJYLYNOXAB-INIZCTEOSA-N 338.411 2.602 0 50 EFAA CCn1nc(C(=O)N2CCCN(c3ccccc3C)CC2)cc1C 91321115 FDQGNFPHYJSYTO-UHFFFAOYSA-N 326.444 2.872 0 50 EFAA CCCn1cnnc1CNC(=O)Nc1ccnn1C[C@H]1CC=CCC1 96133392 GSWCQBJMZHJCHZ-AWEZNQCLSA-N 343.435 2.563 0 50 EFAA O=C(c1ccccn1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 92022496 UNQLZQNAPLCBKD-HXUWFJFHSA-N 341.455 2.869 0 50 EFAA Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)CC(C)C 95510896 AVCNTYLPZFQCNQ-UHFFFAOYSA-N 332.853 2.841 0 50 EFAA O=C(N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 91678218 BADMOQRIKHCLMC-UHFFFAOYSA-N 345.472 2.783 0 50 EFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2c(C)nn(C)c2C)c(C)c1 95373881 NNEPQVFVHRBZNP-KRWDZBQOSA-N 331.416 2.612 0 50 EFAA CCC[C@]1(CO)CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 92099445 DEEZSHXFUDIDGJ-IBGZPJMESA-N 331.460 2.697 0 50 EFAA CCc1n[nH]c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c1C 91459680 AOEDXCPQBTXWSF-LSDHHAIUSA-N 341.411 2.529 0 50 EFAA Cc1nn(C)cc1NC(=O)CN(Cc1ccc2[nH]ccc2c1)C1CC1 244691994 JMSABOCVSXEGKA-UHFFFAOYSA-N 337.427 2.813 0 50 EFAA CC[C@@H]1C[C@@H](Cc2nc(CC(=O)Nc3ccccc3)no2)CCO1 241739085 QZVQEJKLAOIVKC-DZGCQCFKSA-N 329.400 2.999 0 50 EFAA Cn1nnc2ccc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc21 184079143 JYVHROOSEFFDOG-CQSZACIVSA-N 338.386 2.812 0 50 EFAA Cc1cnc(CN2CCC(c3nnc4ccccn34)CC2)c(C)c1O 253537130 YYDODQULIVANMM-UHFFFAOYSA-N 337.427 2.826 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc2c(nc1O)CCC2 253623226 BSMPQKCOGMHPNF-BFQNTYOBSA-N 344.436 2.579 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)C[C@H]1C(F)(F)F 299742683 IIXLICHFOWFIJB-GHMZBOCLSA-N 347.724 2.683 0 50 EFAA CS[C@@H]1CCN(C(=O)Nc2cc(C)nn2-c2cc(C)ccn2)C1 298437122 MLMUJHGMAVLOLW-CYBMUJFWSA-N 331.445 2.853 0 50 EFAA CC[C@@H](NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1)c1ccnn1C 534655883 TXSMHZZGAMTBTO-MRXNPFEDSA-N 344.463 2.596 0 50 EFAA C[C@@H](C(N)=O)n1cc(-c2cccc(C(=O)N3CCCCCC3)c2)cn1 534636933 AOLGSMAVWLHJCH-AWEZNQCLSA-N 340.427 2.613 0 50 EFAA O=C(NCc1nc(-c2ccccn2)no1)c1cc(-c2ccccc2)no1 828231322 XEGIXDXEAWGSSA-UHFFFAOYSA-N 347.334 2.717 0 50 EFAA CCc1ccc(CN(C)C(=O)NCc2ccc(C(=O)N(C)C)o2)cc1 584894394 RZPPTJGDTQSYAW-UHFFFAOYSA-N 343.427 2.885 0 50 EFAA Cc1ccc(C2CC2)c(C(=O)NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)c1 685940147 XYKQWLSBFIXJIJ-YOEHRIQHSA-N 340.427 2.807 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)Cc1cnc2c(C)cccn12 952974488 MAMBSIRCXLFRLN-UHFFFAOYSA-N 341.415 2.740 0 50 EFAA CCOC(=O)CC1(NCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 72267136 JAHFVZMWBIEBOL-UHFFFAOYSA-N 348.443 2.719 0 50 EFAA in-vitro CCCc1nnc(N[C@H]2CCOC[C@@H]2OCc2cscn2)s1 1565514365 CWBJPPGINKNVSH-RYUDHWBXSA-N 340.474 2.733 0 50 EFAA Cc1cc(NC(=O)C2(O)CCSCC2)cnc1N1CCCC[C@H]1C 408513940 QNVYXPHWYFCZST-CQSZACIVSA-N 349.500 2.965 0 50 EFAA Cc1cccc(O[C@H](C)C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1 170641560 KFIBHTHGQIVGHZ-RGNVDHMSSA-N 345.464 2.998 0 50 EFAA CSc1nsc(NC(=O)NCc2ccc(Br)o2)n1 188402079 NLBUESXWLHNSAK-UHFFFAOYSA-N 349.235 2.937 0 50 EFAA O[C@H](COc1ccccc1Cl)CN1CCC[C@@H]1c1ncccn1 639838316 DYBQGAXVLDDYSJ-DZGCQCFKSA-N 333.819 2.707 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1c1ccccc1 669355117 MWGNAGVFLJKISD-VDHUWJSZSA-N 325.412 2.508 0 50 EFAA CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 191908219 UUIKDZFHEFZGLO-HNNXBMFYSA-N 336.476 2.607 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)c2ccccc21 192941996 BDSXXTDVJFRNFD-GFCCVEGCSA-N 329.377 2.649 0 50 EFAA Cc1nn(C)c2ncc(CN[C@]3(CO)CCCc4ccccc43)cc12 685041643 AQVMAJLXYWMJHB-FQEVSTJZSA-N 336.439 2.590 0 50 EFAA CC1(C)CN(C(=O)[C@@H]2CCc3nccn3C2)Cc2ccccc2O1 685865204 REPYXSKBRWXQLG-OAHLLOKOSA-N 325.412 2.645 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1c1ccccc1 655548034 YWZVJPNZSNUADR-UONOGXRCSA-N 346.333 2.960 0 50 EFAA Cc1cccc2c1O[C@@H](C(=O)N1C[C@@H](C)C(=O)Nc3ccccc31)C2 659364304 KAORSKXHTWHANE-CXAGYDPISA-N 336.391 2.920 0 50 EFAA Cn1ccn2ncc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c12 1506402362 NXUGFPSIFWYSRD-CYBMUJFWSA-N 349.394 2.834 0 50 EFAA COc1ccc(F)cc1[C@@H](C(=O)O)N(C)CCN1CCC(C)CC1 1506429666 YPESRMMUBNDESU-KRWDZBQOSA-N 338.423 2.624 0 50 EFAA CCn1ncc(CNS(=O)(=O)Cc2ccc(Cl)cc2F)c1C 1506397303 RJNDKZJJSBLXKS-UHFFFAOYSA-N 345.827 2.624 0 50 EFAA COc1ccc2c(C)cc(N3CCOC4(CCN(C)CC4)C3)nc2c1 1800414394 QRFUFEXTXZPBCY-UHFFFAOYSA-N 341.455 2.853 0 50 EFAA CC(C)N1C[C@@H](C(=O)Nc2ccc(Br)cc2F)CC1=O 4977104 PSPMDIYXRRIWJX-VIFPVBQESA-N 343.196 2.784 0 50 EFAA O=C(c1cc2ccccc2cn1)N1CCCN([C@H]2CCSC2)CC1 1772815705 UCLIUWYOSWPNOT-KRWDZBQOSA-N 341.480 2.888 0 50 EFAA COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cn1 11748967 QOWAKGBTJWPBCT-UHFFFAOYSA-N 325.368 2.778 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12434780 KYCDIQOSFYKSFS-MRXNPFEDSA-N 329.444 2.611 0 50 EFAA O=C(CCN1CCCCO1)N[C@@H]1CCCN(C2CCCCCC2)C1 12572604 PVCBMRGXZKIZGQ-QGZVFWFLSA-N 337.508 2.707 0 50 EFAA CCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 12586959 OOXFQKROJVYKRK-HXUWFJFHSA-N 328.456 2.870 0 50 EFAA Cc1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 18189766 AUEIHIBILHFHBH-UHFFFAOYSA-N 325.397 2.906 0 50 EFAA Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)N2CCCC2)cc1 8448674 FGXAEHIESFRMHJ-QGOAFFKASA-N 335.407 2.783 0 50 EFAA COc1ccc(C)cc1NC(=O)c1ccccc1NS(C)(=O)=O 6269419 ODLLFPHHYCWJDW-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 4949346 ULEJQGPNQUGXAB-LBTPYSACSA-N 325.773 2.938 0 50 EFAA CCOc1ccc(OCc2nc(-c3cc(C)n(CC)n3)n[nH]2)cc1 1857666349 PHMJNDYEJDWACC-UHFFFAOYSA-N 327.388 2.974 0 50 EFAA c1cc(-c2cc[nH]n2)cc(-n2ccnc2-c2cnn3cccnc23)c1 1857681843 OXPPTKGLLNSSNI-UHFFFAOYSA-N 327.351 2.972 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1c1ccccc1 408520457 GLZNEMQINOYYAK-HUUCEWRRSA-N 346.814 2.707 0 50 EFAA C[C@H](O)[C@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CCO1 332620262 DUXKAJWSYGPZFQ-WCQYABFASA-N 339.461 2.804 0 50 EFAA O=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1ccc2c(c1)CCO2 126825208 YCPMNFWYKZGDQL-UHFFFAOYSA-N 333.413 2.803 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 238822438 CYSIGQMEVRJJRE-WFASDCNBSA-N 349.843 2.889 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccccc1C(F)(F)F 247000825 FOCWOACCCPERLY-RYUDHWBXSA-N 348.390 2.563 0 50 EFAA Cn1cc(C2CCN(C(=O)c3ncccc3Br)CC2)cn1 252505499 VRZOKQXWXGOXSQ-UHFFFAOYSA-N 349.232 2.597 0 50 EFAA C[C@@H]1CN(Cc2cccc3c[nH]nc23)C[C@@H]1NC(=O)OC(C)(C)C 497056050 RBBOSLWWLFSSEA-DOMZBBRYSA-N 330.432 2.908 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704297047 DRCCBOAWKVSFGQ-SFHVURJKSA-N 333.428 2.540 0 50 EFAA Cc1cc(C(=O)N(C)C[C@@H]2OCCc3sccc32)oc1C(=O)O 910507671 ZHKQFJNUMVLEFS-LBPRGKRZSA-N 335.381 2.734 0 50 EFAA Cc1nccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1Cl 818145806 MNQLUZRBXWGXKM-QGZVFWFLSA-N 348.834 2.878 0 50 EFAA CC(C)(C(=O)O)[C@H](NC(=O)c1cnc2n1CCCC2)c1ccccc1 833416166 ZQOKCLXEKPPBIG-MRXNPFEDSA-N 341.411 2.801 0 50 EFAA CC(C)(C)N1CC[C@@H](N[C@@H](CO)c2ccccc2C(F)(F)F)C1=O 933243335 PDYQBCVZVVQXNY-KGLIPLIRSA-N 344.377 2.728 0 50 EFAA O=C(c1nccc2occc12)N1CCC[C@](CO)(c2ccccc2)C1 854369381 BEVYLMNSHIDMLI-FQEVSTJZSA-N 336.391 2.994 0 50 EFAA O=C(O)[C@@]1(O)CCc2cc(-c3c(F)ccc4c3OCO4)ccc2C1 1875272310 KTMZAPGWEBAGLW-GOSISDBHSA-N 330.311 2.526 0 50 EFAA COc1cc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(F)cn1 888078051 HZDQIVWTTBBQAC-BWACUDIHSA-N 334.395 2.771 0 50 EFAA C[C@](NC(=O)N1CCn2cncc2C1)(c1ccccc1)C(F)(F)F 1771955104 JSCRKOSSBKPONA-HNNXBMFYSA-N 338.333 2.886 0 50 EFAA Cc1cnc(C)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 277283661 ZAGCCHPDKQMSAH-SFHVURJKSA-N 326.444 2.796 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OCC 4171031 ZEVRTTZLZWMZSV-OAHLLOKOSA-N 347.411 2.543 0 50 EFAA COc1ccc2o/c(=N\c3cccc(C(C)=O)c3)c(C(N)=O)cc2c1 429941 UJZKEGKHCMMEEU-VZCXRCSSSA-N 336.347 2.975 0 50 EFAA O=C(NCCc1ccc(Cl)s1)[C@@H]1CC[C@@H](C2CCNCC2)O1 2325768329 FSZHGMJQWYDYDC-KBPBESRZSA-N 342.892 2.607 0 50 EFAA O=S(=O)(CCOCc1ccccc1)N[C@@H]1CCCc2ncccc21 2325782798 HNJWNTXTBXFVJQ-GOSISDBHSA-N 346.452 2.595 0 50 EFAA O=C([C@H]1CCCc2cncn21)N1CC[C@@H](COCc2ccccc2)C1 2325798578 CERLJJNKQCHWBY-IEBWSBKVSA-N 339.439 2.826 0 50 EFAA CNC(=O)[C@H](Cc1ccccc1)Nc1nc2ccccc2n2cncc12 1458313308 JEDDPXAWSHQFDC-INIZCTEOSA-N 345.406 2.652 0 50 EFAA CC(C)(C)c1noc(CCC(=O)N2CCO[C@@H](c3ccsc3)C2)n1 120964724 LFONQAUGRAIUER-CYBMUJFWSA-N 349.456 2.961 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 201363 LGTFTTJXLPAIBX-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA CN(C)C(=O)c1ccc(-c2cnc3c(N4CCCC4)nccn23)cc1 2356158009 VJIJWBNORJCAAX-UHFFFAOYSA-N 335.411 2.698 0 50 EFAA CCc1ccccc1CNS(=O)(=O)c1cc(C)c(C(=O)O)s1 133087619 ZDPNPYBNBXIQCU-UHFFFAOYSA-N 339.438 2.796 0 50 EFAA CCn1nc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1=O 110695019 GROIQWHODJRBEB-MRXNPFEDSA-N 325.412 2.673 0 50 EFAA Cn1cncc1CN[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 111392369 YOJIYCGPBCYOBC-HNNXBMFYSA-N 336.842 2.967 0 50 EFAA C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(F)c1F 245960430 URUKBGBLLFBKSM-UDTVLSCZSA-N 332.350 2.983 0 50 EFAA Cc1cc(C(=O)NC[C@H]2COc3ccccc3C2)c2c(C)noc2n1 54886920 PMZVAAREPQDSQT-ZDUSSCGKSA-N 337.379 2.821 0 50 EFAA COC(=O)Cc1ccc(NC(=O)CCc2c(C)noc2C)cc1F 421690629 RUPZRBKDFITFKX-UHFFFAOYSA-N 334.347 2.717 0 50 EFAA c1ccc(-c2nn3c(CN4CCOCC4)nnc3c3ccccc23)cc1 20412938 GFTAHJJICQERKW-UHFFFAOYSA-N 345.406 2.777 0 50 EFAA COc1cccc2c1OCCCN(C(=O)CSc1ccncc1)C2 67956426 LXUJUBFYUSBDIQ-UHFFFAOYSA-N 344.436 2.994 0 50 EFAA Cc1noc([C@H]2CCCCN2C(=O)c2cc(CC(C)C)nn2C)n1 65396426 NHISNSFYDVZITO-CQSZACIVSA-N 331.420 2.677 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C)C[C@H]1CCC[C@H]1O 248768728 XLWVSKGAPOVAKM-JGGQBBKZSA-N 336.480 2.810 0 50 EFAA CN(C)c1noc([C@H]2CCCN(c3ncnc4sccc34)C2)n1 350537838 MGJNCYUVHHDOCG-JTQLQIEISA-N 330.417 2.524 0 50 EFAA O=C(C[C@@H]1CCC(=O)N1)NCc1ccc2[nH]c3c(c2c1)CCCCC3 12298080 BLGBUMSQBVXQDS-AWEZNQCLSA-N 339.439 2.722 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1cc(C3CC3)n[nH]1)C2 67947733 UUKJDZXREVATMG-UHFFFAOYSA-N 327.384 2.721 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N(C)CC[C@@H]1CCCCO1 62193392 SJFHYGFOMIDLSR-AWEZNQCLSA-N 327.446 2.583 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(CCn2ccnc2)C1 280530647 SJCAGUWYQFZMOC-IUODEOHRSA-N 325.334 2.710 0 50 EFAA Cc1cnc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 65385755 ZODOTHLHYIHNTM-AZUAARDMSA-N 347.418 2.929 0 50 EFAA CCC(C)(C)NC[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67758822 GHHHDRRORNNMPM-FQEVSTJZSA-N 332.488 2.751 0 50 EFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)c3ccco3)CC2)c1 72454174 IJLVSSYNWVSWFV-UHFFFAOYSA-N 347.342 2.866 0 50 EFAA O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](n2cncn2)C1 229436900 DMDDSXRARSSTIP-JHJVBQTASA-N 330.354 2.810 0 50 EFAA O=C(Nc1ccccc1O[C@H]1CCOC1)N1CC[C@@H](N2CCCC2)C1 120183352 ZWNPRUSALHOXQR-CVEARBPZSA-N 345.443 2.556 0 50 EFAA Nc1nc(NC[C@@H]2SCCc3ccccc32)cc(-n2cccn2)n1 357242071 BAVXIHJDGPTUTD-AWEZNQCLSA-N 338.440 2.687 0 50 EFAA Cc1c(C(=O)N2CCC[C@H]2c2ccsc2)nnn1C1CCNCC1 151574178 HBUAQHZDRRCWMZ-HNNXBMFYSA-N 345.472 2.550 0 50 EFAA COc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 363350499 ZFUUHNXRUNZEKS-MRXNPFEDSA-N 339.439 2.827 0 50 EFAA Cc1ccc2oc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2n1 363483025 UAIDEBKVICBAAO-CYBMUJFWSA-N 326.356 2.764 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 363978611 MNQIRGDIWHBAOV-HNNXBMFYSA-N 325.412 2.994 0 50 EFAA Cc1cccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c1 72119135 PRSWGIOKZXNVSY-UHFFFAOYSA-N 340.431 2.619 0 50 EFAA CNS(=O)(=O)c1ccc(CN2CCC[C@H](c3ccccc3)C2)cc1 215655765 RPBPMMAYFZXJDF-SFHVURJKSA-N 344.480 2.974 0 50 EFAA CCn1nccc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77555409 FUEYSYOJDVNWDZ-CQSZACIVSA-N 331.391 2.973 0 50 EFAA O=C(O)COc1ccc(NC(=O)[C@@H]2CCCCO2)c2ccccc12 261914954 HSQDAHCMCYHMDY-INIZCTEOSA-N 329.352 2.811 0 50 EFAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)CCCc1csc2ccccc12 377294088 QOOCVSLPJUZANL-HZPDHXFCSA-N 342.464 2.961 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc2ccnn12 72147896 FSZPMLNJUSFWML-HNNXBMFYSA-N 334.423 2.511 0 50 EFAA Cc1ccc(-c2noc(CCCN3CCC[C@@H]3C(=O)O)n2)cc1F 237818616 ONXZDUDXQBZKGD-CQSZACIVSA-N 333.363 2.666 0 50 EFAA Cc1ccc(N2CCCC2)c(C(=O)NC2CCC(C(=O)O)CC2)c1 237871870 ZPMHVQFNEYUYHL-UHFFFAOYSA-N 330.428 2.968 0 50 EFAA Cc1ccc([C@@H](NC(=O)c2cc(C)[nH]c(=O)c2)c2ccncc2)cc1 216314679 ZCNNNUNCJYVBTE-LJQANCHMSA-N 333.391 2.906 0 50 EFAA Cc1c(Cl)cccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 262980990 PIWNPXJZGPGUTC-CYBMUJFWSA-N 325.792 2.506 0 50 EFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1 72478445 ZPFHKQFFHZPSDY-KRWDZBQOSA-N 343.402 2.822 0 50 EFAA O=C(O)C[C@H]1COCCN1CC(c1ccccc1)c1ccccc1 72149947 FITIQYFSRUUBDA-SFHVURJKSA-N 325.408 2.994 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)Nc2cccc(C)c2)n1 72434097 VYNNNWAKZBRZFA-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA O=C(N[C@H]1CCO[C@H]1C1CC1)N1CCC(Cc2cccnc2)CC1 332810284 WAWIOKLUPPSIRU-ROUUACIJSA-N 329.444 2.613 0 50 EFAA CN1C[C@]2(CCCN(C(=O)c3cn(C)c4ccccc34)CC2)OC1=O 72173920 FUNFIFHVBKTDFE-LJQANCHMSA-N 341.411 2.625 0 50 EFAA Cc1cc2c(N3CCC[C@@H](C(=O)c4nccn4C)C3)ncnc2s1 77356941 UUYDSNAYGMQJGU-GFCCVEGCSA-N 341.440 2.833 0 50 EFAA C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 284111481 CIYHYEHEOJYIAR-UICACZKSSA-N 335.469 2.889 0 50 EFAA COc1c(C(=O)N2CCC(CN)CC2)sc(C)c1Br 237276784 WHQAJWABLKABNI-UHFFFAOYSA-N 347.278 2.639 0 50 EFAA CN(C)c1ccnc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1 173632080 QLJJGHYQUVQAMW-GOSISDBHSA-N 338.455 2.889 0 50 EFAA COc1cc(Nc2nc(NCCO)c3ccccc3n2)cc(OC)c1 41150008 GPFBZLJZIJYVSS-UHFFFAOYSA-N 340.383 2.795 0 50 EFAA Cc1ccc(C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c(C)c1 284555423 FRCLBWURFBLWMP-MRXNPFEDSA-N 340.427 2.693 0 50 EFAA COc1ccc2oc(CN3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2c1 284546503 GKVPCTAIQYPZSV-KSZLIROESA-N 331.412 2.803 0 50 EFAA C[C@H]([C@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O 43135896 NEYMFDJFZULCQI-PIGZYNQJSA-N 326.327 2.937 0 50 EFAA COc1ccc(C(=O)N2CC[C@@H](c3cccc(OC)c3OC)C2)o1 223531755 KVRQRVXOSHYFSJ-GFCCVEGCSA-N 331.368 2.935 0 50 EFAA COc1cc(C)ccc1NC(=O)N1CCCC[C@H]1CN1CCOCC1 175489553 GWTKQZKSIWTTNL-INIZCTEOSA-N 347.459 2.722 0 50 EFAA C[C@@H](Cc1cccs1)NC(=O)N1CCC(Oc2ncccn2)CC1 426541480 PJZRPPJMCRCAEI-ZDUSSCGKSA-N 346.456 2.722 0 50 EFAA COc1cncc(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2)c1 426740393 HADIVVRCUIHHAJ-LJQANCHMSA-N 337.423 2.581 0 50 EFAA O=C(N1CCC([C@H]2CCNC2)CC1)C1(c2ccccc2)CCOCC1 290149229 NCDWSNWWVCRWKK-SFHVURJKSA-N 342.483 2.583 0 50 EFAA O=C(CCCc1cccs1)N1CCC(c2cc(=O)[nH]cn2)CC1 82039311 JHEMPGGTXCZUJP-UHFFFAOYSA-N 331.441 2.560 0 50 EFAA CC(C)S(=O)(=O)CCNCc1ccc(Cl)c2cccnc12 290215238 QYICFJLOAPTVTR-UHFFFAOYSA-N 326.849 2.801 0 50 EFAA CC(C)[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O 337316891 KWZMKPNXFPNTEJ-IBGZPJMESA-N 349.434 2.929 0 50 EFAA in-vitro COc1coc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1=O 95380405 LEBGZZNBQUHEGX-UHFFFAOYSA-N 345.370 2.882 0 50 EFAA Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3C)ncn1 95384580 LVSNRTJHCNGWJD-KRWDZBQOSA-N 336.439 2.770 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCCOC2)nn1-c1ccc(F)cc1F 179184165 XTNJKUKVTSOAGL-LBPRGKRZSA-N 335.354 2.615 0 50 EFAA CCCc1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)n(C)n1 95352489 MPADMIJXGKCVLE-AWEZNQCLSA-N 327.428 2.744 0 50 EFAA O=C(NCc1ccc2nsnc2c1)[C@@H]1CCOc2ccccc2C1 97436919 GGANXGVCIQCAPS-CQSZACIVSA-N 339.420 2.949 0 50 EFAA OC1CCN(c2ccnc(C[C@@H]3CCOc4ccccc4C3)n2)CC1 95507316 KSMJCUJANLDPSA-OAHLLOKOSA-N 339.439 2.622 0 50 EFAA Cc1ccc2[nH]c(CN[C@@H](C)c3cn4ncsc4n3)cc(=O)c2c1 91351014 UBESYOPDZIXDEI-NSHDSACASA-N 339.424 2.792 0 50 EFAA CC1=C(C)C[C@@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@H]2C1 95950897 GQCZEUJZMZKGFY-ROUUACIJSA-N 340.423 2.759 0 50 EFAA c1ccc(CN2CCCO[C@H](CN3CC(c4ccccn4)C3)C2)cc1 244620007 FKDXVESXZVKROR-FQEVSTJZSA-N 337.467 2.772 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1nc(C)sc1C 244873436 WQIFWSLFNJGGLH-UHFFFAOYSA-N 336.461 2.933 0 50 EFAA CC(C)(C)c1nc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 183510827 MAQCLJKAXUUHQR-AWEZNQCLSA-N 348.834 2.694 0 50 EFAA CN1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 355584999 YXYIMTZESXAZGY-UHFFFAOYSA-N 348.447 2.525 0 50 EFAA C[C@@H](C(=O)NCCCn1nccc1C1CC1)n1cnc2ccccc21 299796501 NTBNUOFKTCFTEG-AWEZNQCLSA-N 337.427 2.878 0 50 EFAA Cc1nc(C)c(CC(=O)NCc2ccccc2-n2ccnc2)s1 670468752 LYQVNFPXIBWJOH-UHFFFAOYSA-N 326.425 2.805 0 50 EFAA COc1ncc(CNC[C@H]2CCCN(CCc3ccccc3)C2)cn1 952969620 BWPCHNRZNLYGEF-GOSISDBHSA-N 340.471 2.530 0 50 EFAA Cc1cc(NC(=O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)on1 303998027 PXHJKNXGTOGQEF-SFHVURJKSA-N 347.390 2.506 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 408474457 YHLCNCDOTPSTJJ-NNVNDSJASA-N 346.471 2.779 0 50 EFAA Cc1ccc(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)nc1 276141603 ZXBURGFKBXIRDV-GFCCVEGCSA-N 331.376 2.502 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2nccc3ccccc23)CCO1 276437096 XCFGOLSWMITRFI-PBHICJAKSA-N 336.395 2.618 0 50 EFAA C[C@@H](C(=O)Nc1cccc(CS(C)(=O)=O)c1)[C@H](N)c1ccccc1 170048825 HWTSTSCRGMLSMY-DYVFJYSZSA-N 346.452 2.506 0 50 EFAA COc1ccc(C[C@H](C)CN2C(=O)[C@H]3CCCCN3C2=O)cc1OC 170592725 PVQXFOHMCXWNJY-DZGCQCFKSA-N 346.427 2.699 0 50 EFAA Cc1ccccc1CS(=O)(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 190585763 AMKBPOROWNNBTL-CQSZACIVSA-N 348.472 2.617 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cc1c(C)n[nH]c1C 190703514 WWURGUNFNPOLII-UHFFFAOYSA-N 340.427 2.752 0 50 EFAA CC1(C)CN(C(=O)Nc2ccc(C(N)=O)nc2)CC[C@@H]1C(F)(F)F 192330769 DXUILPKMIBARNK-NSHDSACASA-N 344.337 2.623 0 50 EFAA O=C1CCCC[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)N1 194418803 NLMUZSUYNKATFO-INIZCTEOSA-N 338.407 2.980 0 50 EFAA CCCOc1cccc2c(N3CCS(=O)(=O)C[C@@H](C)C3)ccnc12 194748826 GPIIFHFJMDXGIF-AWEZNQCLSA-N 348.468 2.895 0 50 EFAA CCc1nn(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1C 1615696924 KTIFGQARCPKYJX-CABCVRRESA-N 346.475 2.658 0 50 EFAA CC(C)Cc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1 1615733571 JABWYWBEVCRWEF-ICSRJNTNSA-N 325.456 2.711 0 50 EFAA CCN(CC)C(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 582571 FYMJYWRRUSQSBY-GFCCVEGCSA-N 332.425 2.605 0 50 EFAA CCCn1nc(C)c(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C 1506406691 GBXXZNZPLDYNSV-UHFFFAOYSA-N 335.429 2.566 0 50 EFAA COc1ccc(NC(C)(C)C(=O)N2CCC[C@@H]2c2nc(C)no2)cc1 1506429624 YDKOIVYHRVBUNV-OAHLLOKOSA-N 344.415 2.941 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)NC1CCCCCC1 616415 XQBDEVJNHQADFV-UHFFFAOYSA-N 331.445 2.593 0 50 EFAA Cc1cc(C)c(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1529158501 DGFQNTMOEFZXCE-QUCCMNQESA-N 338.451 2.923 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cnc4ccccc4n3)C[C@H]2C1 1529095709 ULKCQLHFVCCSTI-GEEKYZPCSA-N 338.455 2.821 0 50 EFAA Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 380164 DEHTUHBUVQYNFL-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)C1(Nc2ccccc2)CCCC1 1772707594 QMYFAVSVGBUKAP-WBVHZDCISA-N 341.455 2.633 0 50 EFAA CCc1nc(Cc2cc3c(cc2Cl)OCCO3)n([C@@H]2CCOC2)n1 1772804508 QBQJKZUINPVLSN-GFCCVEGCSA-N 349.818 2.817 0 50 EFAA O=C(CN1CCCCC1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12051612 LGKJMVRWPHFNEE-GOSISDBHSA-N 349.906 2.907 0 50 EFAA Cc1ccc2nc3c(cc(C(=O)N4CCCCCC4)n3C)c(=O)n2c1 12421570 FRNBDDFQPMXUED-UHFFFAOYSA-N 338.411 2.511 0 50 EFAA FC(F)Oc1ccc(CNCc2cccnc2N2CCOCC2)cc1 12430231 GMZGBLLSNPTAIE-UHFFFAOYSA-N 349.381 2.809 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2N)cc1 16649948 QZGWKNVUJGHIEW-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA Cc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1 18214135 AWAZGQLHRWSXNN-UHFFFAOYSA-N 338.451 2.686 0 50 EFAA CCOCCc1nnc(NC(=O)CSCc2ccccc2)s1 2876215 YGWQPZLMCIUJRY-UHFFFAOYSA-N 337.470 2.989 0 50 EFAA OCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 4809685 QGNOLFMCZYEVSI-ZDUSSCGKSA-N 332.787 2.622 0 50 EFAA Cc1ocnc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857675240 OYVRFIDFHCENTI-UHFFFAOYSA-N 336.395 2.625 0 50 EFAA Cc1nc(NC(=O)c2cc(O)nc(O)n2)cc(-c2ccccc2)c1C 1857711813 FRYWXOHEPPWIEG-UHFFFAOYSA-N 336.351 2.819 0 50 EFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@@H]3[C@H]3CCC[C@H]3O)cc12 408053046 SPDMHGAPKKPPKZ-FSPWUOQZSA-N 346.402 2.617 0 50 EFAA c1ccc(Cc2nnc(N3CCC[C@@H]([C@@H]4CCNC4)C3)s2)cc1 420264028 CMJGDJNEFKXBNN-HZPDHXFCSA-N 328.485 2.955 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)C1 125591696 GBSHKIGFESDUCX-AWEZNQCLSA-N 344.390 2.517 0 50 EFAA Cc1nn(-c2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1CCC(=O)O 237553938 YAICJQKKQGQRAS-GTNSWQLSSA-N 341.411 2.645 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 238020261 MSLLNQBCZHEHDZ-CQSZACIVSA-N 327.384 2.589 0 50 EFAA COCCN(Cc1ccc(F)c(Cl)c1)c1ncnc2c1cnn2C 450920771 ATDHXBBKACOSEU-UHFFFAOYSA-N 349.797 2.809 0 50 EFAA O=C(c1ccc(O)nc1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 655127233 VLKVJHMUAVTXEM-GFCCVEGCSA-N 344.333 2.608 0 50 EFAA COc1ccc(CC2CCN(C(=O)CCc3nc(C)no3)CC2)cc1 154220300 NUVCMKHAZVKNRX-UHFFFAOYSA-N 343.427 2.801 0 50 EFAA O=C(c1cccc2c1OCO2)N1CCC[C@@](CO)(c2ccccc2)C1 367267144 NBDBENQBIWWAAM-HXUWFJFHSA-N 339.391 2.582 0 50 EFAA CCCOCC(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 262589354 HJIFOZTWMMQHBP-LBPRGKRZSA-N 344.205 2.508 0 50 EFAA Cc1ccc(N[C@H]2CCCN(c3ccccc3F)C2=O)cc1C(N)=O 162061635 YLBMRULIIUXXHV-INIZCTEOSA-N 341.386 2.841 0 50 EFAA Cc1ccc(Cl)cc1CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 390833478 IBLFRPDTMHRRTE-SUMWQHHRSA-N 338.835 2.738 0 50 EFAA O=C(Cc1cc[nH]n1)NCCc1c[nH]c2ccc(Br)cc12 390833831 NSDPGNBDMLLWQD-UHFFFAOYSA-N 347.216 2.555 0 50 EFAA Cc1noc(C2CC2)c1C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1 909422359 FJCBIXQNPGIWSP-AWEZNQCLSA-N 326.352 2.685 0 50 EFAA Cn1cc(CN2CC[C@@H](CC(N)=O)C2)c(-c2cc3ccccc3o2)n1 809785127 OXSHHDPRDSGLBH-ZDUSSCGKSA-N 338.411 2.531 0 50 EFAA COCc1ccc([C@H]2COCCN2C(=O)c2ccnn2C2CCC2)o1 830129448 RLFXTQRHOBWINA-MRXNPFEDSA-N 345.399 2.561 0 50 EFAA O=C(Nc1cnns1)NC1CN(c2ccc(C(F)(F)F)cc2)C1 930997139 HPZBBXYRXWRBKF-UHFFFAOYSA-N 343.334 2.567 0 50 EFAA CC(C)(C)n1nccc1NC(=O)NCc1cccc2c1OCCO2 930924870 GYZCAGKNBJKNDT-UHFFFAOYSA-N 330.388 2.731 0 50 EFAA O=C(NCc1cscn1)c1cnn2c(C(F)F)cc(C3CC3)nc12 1262605878 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CCCOc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 23158263 WMBAXXXNBAHDDL-MRXNPFEDSA-N 327.428 2.938 0 50 EFAA Cc1ccc2nc(C(=O)N3CCN(c4ccnc(C)n4)CC3)ccc2c1 346672734 RCTBEPRWXBMFPD-UHFFFAOYSA-N 347.422 2.604 0 50 EFAA C[C@@H](C(=O)NCCc1[nH]nc2c1CCCC2)n1cnc2ccccc21 65374998 JINNHLXUCNKWEM-ZDUSSCGKSA-N 337.427 2.558 0 50 EFAA Cc1nc2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)ccc2o1 348194808 SFQDIYIZWNKHNJ-UHFFFAOYSA-N 347.378 3.223 0 50 EFAA Cn1nc(-c2nc([C@H]3CCOc4ccccc43)no2)cc1OC(F)F 350058980 FFSAWVCDJRNONM-JTQLQIEISA-N 348.309 2.986 0 50 EFAA CN(C)c1nc2c(s1)[C@H](c1cccc3cnccc13)CC(=O)NC2 65372398 QREMCWRSVDVJCE-AWEZNQCLSA-N 338.436 2.909 0 50 EFAA COc1cc(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)ncn1 67642158 WXWWSKQZRNMCMK-UHFFFAOYSA-N 347.846 2.960 0 50 EFAA CN(C)CCCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 252483728 FHKPXKVNOUHRPG-LJQANCHMSA-N 329.488 2.994 0 50 EFAA COc1ccc(F)cc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 212063493 UAXSLFCYPNBLLC-PBHICJAKSA-N 332.419 2.667 0 50 EFAA Cc1cnn(C[C@@H]2CCCN2[C@@H](C(=O)NC2CC2)c2ccccc2)c1 229490469 HOMNZSFHEZJRJX-RBUKOAKNSA-N 338.455 2.676 0 50 EFAA Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nsc1C(=O)O 4502057 ZCFCRMCNEJRPSP-UHFFFAOYSA-N 331.275 2.695 0 50 EFAA CCOc1cccc(N2CCN(C(=O)NCc3ccsc3)CC2)n1 171710206 OVBWAJSZGXKJJB-UHFFFAOYSA-N 346.456 2.574 0 50 EFAA CN(CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C1CCCCC1 229928565 MLXLIIALFWLAAB-MSOLQXFVSA-N 336.524 2.519 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)c1nn2c(C3CC3)nnc2s1 71753431 OUPPFILCPDSQRV-QMMMGPOBSA-N 330.369 2.932 0 50 EFAA Cc1cccc2oc(CNC(=O)COCC(F)(F)C(F)F)nc12 219870580 VVOFENPBOYFSQM-UHFFFAOYSA-N 334.269 2.669 0 50 EFAA Cc1nn(C)c(C)c1CN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1 219329401 RBILULPBEOEXCK-UHFFFAOYSA-N 340.475 2.545 0 50 EFAA CCc1ccc(C(=O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)o1 328645166 SBACARHPWOAQCU-AWEZNQCLSA-N 346.431 2.660 0 50 EFAA CCn1cc(C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cn1 253430841 XRWUEHUDQMPGJG-UHFFFAOYSA-N 326.400 2.763 0 50 EFAA CCc1nn(C)c(CC)c1CN[C@H]1CCCO[C@@H]1c1cnn(CC)c1 328648049 UIJBCTBLXXIVME-PKOBYXMFSA-N 345.491 2.771 0 50 EFAA COCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)cc1 219097250 XUDUIYLSQCNFLG-MSOLQXFVSA-N 333.428 2.703 0 50 EFAA COc1ccc(-n2ccnc2-c2cc3n(n2)CCCNC3)cc1Cl 72448254 HPXYAVVERSKCHI-UHFFFAOYSA-N 343.818 2.891 0 50 EFAA C[C@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)N(C)C 77425663 RYWXGQOJRITUJV-GOSISDBHSA-N 345.531 2.681 0 50 EFAA c1nc([C@H]2CCCN(c3nn4cc(C5CCCC5)nc4s3)C2)n[nH]1 436428721 BNWHOTSSMGBQFC-LBPRGKRZSA-N 343.460 2.951 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 238016344 FRPVPMNDCUBEMC-NFBGWVBBSA-N 329.396 2.738 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)n(C)n1 77419153 CVYDEDBTJKTAIM-CQSZACIVSA-N 331.391 2.799 0 50 EFAA O=S(=O)(C[C@@H]1CCCCC1(F)F)N1CCC[C@@H](CCO)CC1 332340376 SOCXVJVKFYSRBX-KGLIPLIRSA-N 339.448 2.626 0 50 EFAA Cc1ccnc(NC[C@H]2CCN(Cc3nnc4n3CCCCC4)C2)c1 377297699 KVTKCZOIWAXTAV-MRXNPFEDSA-N 340.475 2.642 0 50 EFAA CN1CCOc2ccc(NC(=O)c3ccncc3Br)cc21 159092513 ZFSRXOBZDCGWQH-UHFFFAOYSA-N 348.200 2.925 0 50 EFAA O=C(CSCC1CC1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 219393331 ZKVGHROPLCZRQE-GOSISDBHSA-N 349.500 2.592 0 50 EFAA C[C@H](C(=O)Nc1cccc2c1OCC(=O)N2)n1cnc2ccccc21 377962172 CSXQKYWWXTXDGD-LLVKDONJSA-N 336.351 2.567 0 50 EFAA CSCC[C@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 237327248 UVRQWRTVZLKQSF-MJBXVCDLSA-N 346.855 2.506 0 50 EFAA Cc1noc2ncc(S(=O)(=O)Nc3cccc4cccnc34)cc12 128962100 SDRWFFJKZGVKMF-UHFFFAOYSA-N 340.364 2.880 0 50 EFAA Cc1ccc(CN2CCCN(C(=O)CSc3ncco3)CC2)cc1 241930381 UIBLSGBEGBLXAX-UHFFFAOYSA-N 345.468 2.810 0 50 EFAA Cc1cccc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1 285442216 PJKMTTOZOZCGQD-DOMZBBRYSA-N 327.384 2.858 0 50 EFAA COc1cc(-c2noc([C@H](C)Cc3c(C)nn(C)c3C)n2)ccn1 174852133 VBVAUUFZWNFSHO-SNVBAGLBSA-N 327.388 2.837 0 50 EFAA Cc1ccc(-c2csc(NC(=O)CCC(=O)O)c2C(N)=O)cc1C 17072099 MQQLBURUCWXYST-UHFFFAOYSA-N 346.408 2.934 0 50 EFAA CC(C)CCC[C@@H](C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 17071743 GVMHGRCLPMCYJH-GFCCVEGCSA-N 343.518 2.835 0 50 EFAA C[C@@H]1C[C@@H](N2CCO[C@@H](c3nc(-c4ccccc4)cs3)C2)C(=O)O1 222214308 JVPOPNCUPFWEJL-DAXOMENPSA-N 344.436 2.887 0 50 EFAA CCN1CCN(c2ccccc2NC(=O)NC[C@@]2(C)CCCO2)CC1 176495518 CFQAPWUAOLUFLP-LJQANCHMSA-N 346.475 2.519 0 50 EFAA CC(C)Oc1ccc(CCNC(=O)NCC[C@H]2CCCCN2)cc1 426701409 KUWVFZHCZMMQHA-QGZVFWFLSA-N 333.476 2.848 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 91412275 QZNSOVKDYFQKDS-CQSZACIVSA-N 331.391 2.827 0 50 EFAA Cc1ccc(CN2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1 96150016 OVRAHZIQJHMQPM-UHFFFAOYSA-N 343.475 2.692 0 50 EFAA O=C(NCCCc1cccnc1)Nc1ccc(N2CCCC2=O)cc1 96180592 FAVCPWRKKQMLFU-UHFFFAOYSA-N 338.411 2.963 0 50 EFAA CCCCn1ccnc1C1CCN(C(=O)CCc2cnn(C)c2)CC1 92022775 PDPVHHZGNKZIID-UHFFFAOYSA-N 343.475 2.756 0 50 EFAA Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1 95527888 QGFCAHDIYFOFRM-UHFFFAOYSA-N 342.399 2.590 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCCCN3C)c2n1 95392033 FOASFFGIJKVMPI-QGZVFWFLSA-N 341.455 2.913 0 50 EFAA Cc1nc2ccc(C(=O)NCCSc3nccn3C)cc2nc1C 91906767 NFEXKNUZJOMSIU-UHFFFAOYSA-N 341.440 2.502 0 50 EFAA CCCc1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)[nH]n1 91893426 NTQVTCPWTAGOHK-AWEZNQCLSA-N 341.333 2.844 0 50 EFAA Cc1cccc(N2CCC(N3CC[C@@]4(CCCNC4=O)C3)CC2)c1C 91663621 GXKLQZGLYQDSQA-NRFANRHFSA-N 341.499 2.874 0 50 EFAA Cc1c(N[C@H]2CCCOCC2)nn2c(C(F)(F)F)nnc2c1C 182981761 ZMZJFQIFMXCBDQ-JTQLQIEISA-N 329.326 2.741 0 50 EFAA CCOc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccc1OC 183071178 XHKIDJXWLXVQNX-CYBMUJFWSA-N 345.403 2.971 0 50 EFAA O=C(CCCCc1ccccc1)N[C@@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 252548764 QKJAIFKAADSKSY-ZVDOUQERSA-N 344.499 2.655 0 50 EFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 299744967 QHPWJOMISUGGMS-COXVUDFISA-N 331.412 2.902 0 50 EFAA C[C@@H](NC(=O)N1CCC(O)(c2cccnc2)CC1)C1=CCCCC1 534663918 AXWZIYJIGJVTAE-OAHLLOKOSA-N 329.444 2.964 0 50 EFAA COc1ccccc1-c1nc2cc(C(=O)O)cc(NC(C)=O)c2n1C 299773059 CEMSOGWIHIYEOR-UHFFFAOYSA-N 339.351 2.906 0 50 EFAA Cc1ccc(N2C[C@H](NC(=O)c3cccn3C(C)C)CC2=O)cc1 299787025 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ZCKKBQLAANPYOX-INIZCTEOSA-N 348.406 2.979 0 50 EFAA C[C@@H]1CCN(Cc2nnnn2CC(F)(F)F)[C@H](c2ccco2)C1 190921501 YSLWMJZVAWZXIU-MNOVXSKESA-N 329.326 2.802 0 50 EFAA C[C@H](CCC(=O)O)NC(=O)COc1ccc(Cl)c2cccnc12 191156506 LDXYLLFJJUEASA-SNVBAGLBSA-N 336.775 2.637 0 50 EFAA Cc1csc2c(NCCn3c(=O)[nH]c4ccccc43)ncnc12 192669291 CGAKCFBGOJEEJL-UHFFFAOYSA-N 325.397 2.755 0 50 EFAA CO[C@H](CS(=O)(=O)Nc1ccc(C(=O)O)cc1C)C1CCCC1 656615379 HBKFAHXZFIWQII-OAHLLOKOSA-N 341.429 2.640 0 50 EFAA O=C(Nc1c[nH]c2nccc-2c1)[C@H]1CC[C@H](Nc2ncccn2)CC1 1651646448 NGMKPMZANYQJFC-MQMHXKEQSA-N 336.399 2.914 0 50 EFAA Cc1ccc(N2CCC(NC[C@H](O)c3ccc(O)cc3)CC2)cc1 1506418945 VMAXVLTYYWBZTL-FQEVSTJZSA-N 326.440 2.993 0 50 EFAA c1ccc2oc(N3CCN(C4CSCCSC4)CC3)nc2c1 1506408373 DRPVHTOQYXFWRQ-UHFFFAOYSA-N 335.498 2.798 0 50 EFAA Cc1ncsc1CCN(C)C(=O)CCc1n[nH]c2c1CCCC2 1506425035 KVESYGIZQSVJFB-UHFFFAOYSA-N 332.473 2.687 0 50 EFAA Cc1nc(CC(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)cs1 222149983 WONNIWTXFRZNMJ-CVEARBPZSA-N 344.436 2.629 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)n(C)n1 1529152984 OATQKHYAKITSDH-MSOLQXFVSA-N 327.428 2.967 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)c1cc2c(s1)CC[C@H](C)C2 1704325116 DSOSCNHNPCACRP-NSHDSACASA-N 333.457 2.539 0 50 EFAA CSc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704335608 CYEUWQRWUYPIPV-HZPDHXFCSA-N 341.498 2.724 0 50 EFAA O=C(NC(=S)Nc1ncccn1)c1ccc(Cl)cc1Cl 374324 WNFWPQRDLPSLMY-UHFFFAOYSA-N 327.196 2.910 0 50 EFAA Cc1oc(-c2ccccc2F)nc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772705049 ONHOKVXGGJBKQF-AUUYWEPGSA-N 346.402 2.620 0 50 EFAA Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3 1775980609 FFBOPGCHGJRQJG-FOIQADDNSA-N 338.407 2.569 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 858986 YENFIOQUEXDSIN-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA OCC1(C[C@H]2CCCCO2)CCN(Cc2cccc3c2OCO3)CC1 11768459 BUVSZIZBZVUXJP-QGZVFWFLSA-N 347.455 2.949 0 50 EFAA CSc1nnc(CN(C)Cc2ccsc2)n1C[C@H]1CCCO1 11784056 LRLRJQSEROYBKQ-CYBMUJFWSA-N 338.502 2.873 0 50 EFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccccc2Cl)s1 12379813 OBLDOWLIYRXQQE-UHFFFAOYSA-N 331.806 2.556 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 12403790 LXHLXOMDHLBJJA-HUUCEWRRSA-N 332.400 2.656 0 50 EFAA COC[C@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 12701950 HOMMJOXGFAZTOC-LBPRGKRZSA-N 334.347 2.501 0 50 EFAA Cc1ccc(F)cc1CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O 12752598 YSXDKGGNYKSJJB-IBGZPJMESA-N 336.451 2.623 0 50 EFAA O=C(NCc1cccs1)[C@@H]1CC12CCN([C@@H]1CCSC1)CC2 14988499 IOGCICZYFAAWJY-HIFRSBDPSA-N 336.526 2.972 0 50 EFAA CC1(C)C[C@@H](NCCCS(=O)(=O)c2ccccc2)C(C)(C)O1 158688218 WXQSGFNNOAQITF-OAHLLOKOSA-N 325.474 2.786 0 50 EFAA COc1ccc(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 4837885 MPIZNIGZSUHRGP-UHFFFAOYSA-N 337.379 2.913 0 50 EFAA CCn1c2ccccc2c2cc(CNC[C@H]3CCNC[C@@H]3O)ccc21 216958350 BSQFVXZETFHLBT-IERDGZPVSA-N 337.467 2.874 0 50 EFAA CCc1nnc(C)cc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 423600653 BHBYHHCYFFOOPG-QGZVFWFLSA-N 344.846 2.788 0 50 EFAA Cc1ccc(Br)c(C(=O)NCCCO[C@@H]2CCOC2)c1 124588304 LISLZYXIWXPGMZ-GFCCVEGCSA-N 342.233 2.683 0 50 EFAA O=C(O)Cc1cccc(NS(=O)(=O)c2cccc3c2CCCC3)c1 748642620 HWNUWHWJRUCBAE-UHFFFAOYSA-N 345.420 2.993 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2nc[nH]n2)c1 253416296 XDHYGSUDPZWQMS-VIFPVBQESA-N 328.825 2.621 0 50 EFAA CCN(CC)CCN(C)Cc1ccccc1-c1nc(C)c(F)c(=O)[nH]1 23619167 SIXLYCMVHJLUNB-UHFFFAOYSA-N 346.450 2.658 0 50 EFAA Fc1cccc(Cn2cnc(CN[C@@H]3CCOC34CCCC4)n2)c1 903152766 HZTOWALRCMPEAQ-MRXNPFEDSA-N 330.407 2.657 0 50 EFAA CC(C)(CNc1nc(-c2ccccn2)nc2sccc12)C(N)=O 858353188 GFKXMZCYYLSYMQ-UHFFFAOYSA-N 327.413 2.677 0 50 EFAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)Cc2ccccc2OC2CC2)n[nH]1 952890804 ZSZQBSPOVVBSRF-SJLPKXTDSA-N 342.443 2.659 0 50 EFAA Cc1oc(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)c1C 952890484 VECMJKKOGWXOEP-CYBMUJFWSA-N 331.372 2.994 0 50 EFAA CC1=C(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)CCC(C)(C)C1 952889152 WQRKLIIOYHYPBI-JKSUJKDBSA-N 344.459 2.689 0 50 EFAA CNC(=O)c1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1 1875295423 XQUMDKGXMNCYIY-UHFFFAOYSA-N 345.830 2.583 0 50 EFAA C[C@H](NCc1cn2ccsc2n1)c1cc(C2CCOCC2)nn1C 1875285784 ZBENLGOMBSKYEK-LBPRGKRZSA-N 345.472 2.874 0 50 EFAA CNC(=O)c1cccc(N(C=O)Cc2cccc(OC(C)C)c2)c1 1875326025 YFBWAZGVJXOZNY-UHFFFAOYSA-N 326.396 2.996 0 50 EFAA CCOc1ccc(CNC(=O)c2ccc(-c3cc[nH]n3)s2)cn1 1875358246 OTZUWVDKIBWEIX-UHFFFAOYSA-N 328.397 2.862 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC(c2cc(CO)on2)C1 886085758 NYSMWQBIFIWQTG-LSDHHAIUSA-N 332.787 2.550 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC[C@H](S(C)(=O)=O)C2)n1 893191448 NGZKPDVQGNLZHP-HNNXBMFYSA-N 346.456 2.542 0 50 EFAA COc1ccc(CNC(=O)N[C@H]2CCCc3ccccc3C2)nc1 894459387 HXJSYEGAISPTKG-INIZCTEOSA-N 325.412 2.837 0 50 EFAA COc1cc([C@H](C)NC(=O)NCc2cnnn2C)cc2ccccc12 894874547 ZISHXMIOFRVSRN-LBPRGKRZSA-N 339.399 2.537 0 50 EFAA Cc1ncc([C@H](C)NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)s1 896114335 YRARCHMFNAIEBW-KANYHAFZSA-N 347.440 2.554 0 50 EFAA Cc1noc(C[C@H]2CCCN(c3nc4ccccc4cc3CO)C2)n1 896850421 NWVGVEGRVLZWDL-CQSZACIVSA-N 338.411 2.878 0 50 EFAA COC(=O)C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)C(C)C 1776006588 WYZZHSRJGODPHI-SXSDINLZSA-N 326.396 2.952 0 50 EFAA CCn1c(C)nnc1CN[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 248865402 AWIRQMCXYIAYBE-IGOJGBNBSA-N 341.503 2.853 0 50 EFAA Cc1nc(O)[nH]c1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782168 AKZDDAHXJSPRCH-UHFFFAOYSA-N 335.791 2.761 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 2325788163 QHBQCPGYKNMWLJ-QGZVFWFLSA-N 347.390 2.527 0 50 EFAA Cc1c(-c2nc(-c3ccc(C(C)C)cc3)no2)nnn1[C@@H]1CCNC1 854134102 FNWKBTXXOAHGBC-OAHLLOKOSA-N 338.415 2.961 0 50 EFAA C[C@@H]1C[C@@H]1[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(Cl)cc1 245305003 HMBRISVVQCCVFB-KJEVXHAQSA-N 335.835 2.567 0 50 EFAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1O 103840 KZLXMOBHUNKOJX-MRXNPFEDSA-N 348.399 2.618 0 50 EFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1 117142 BIAWGGYDQRXTRP-UHFFFAOYSA-N 347.465 2.712 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 490460 KSUHDLSORFHOHX-LJQANCHMSA-N 339.347 2.584 0 50 EFAA biogenic Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 1193197 YBEJRMWSTYPTFV-QGZVFWFLSA-N 327.405 2.953 0 50 EFAA Cc1ncsc1CN1CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356158330 HWGPDYFJOHBSEP-GOEBONIOSA-N 326.462 2.525 0 50 EFAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cccc(O)c3)n21 2356160164 GGIYSSFEBIEFST-ZDUSSCGKSA-N 334.379 2.754 0 50 EFAA O=C1Nc2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2 2996387 ZNRLOLUWIKRVBI-GUYCJALGSA-N 331.755 2.939 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)c2ccccc2)cc1 10286802 BIQRDEDEPBTORR-UHFFFAOYSA-N 332.425 2.749 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2C)C1 10302251 GZUKWTZXZFSANK-GFCCVEGCSA-N 344.864 2.649 0 50 EFAA COC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 55291848 AYUFNFIPJOARGV-UHFFFAOYSA-N 328.387 2.935 0 50 EFAA O=C(NCc1ccc(Cl)s1)[C@@H]1CC(=O)N(C2CCCC2)C1 25522481 FAMURUXXCUARIP-SNVBAGLBSA-N 326.849 2.809 0 50 EFAA C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cnn(C)c1 118944547 GZIPDBUANKUQKG-LBPRGKRZSA-N 326.425 2.964 0 50 EFAA CC(C)C[C@H]1CN(Cc2cnc(N3CCCC3)nc2)CC[C@@]1(C)O 67894645 IQBHXYQVOOADPZ-PKOBYXMFSA-N 332.492 2.696 0 50 EFAA O=C(CCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21)N1CCc2sccc2C1 247759136 GHNVCAGEOJJTLU-CTQRGLTFSA-N 344.480 2.670 0 50 EFAA CN1CCC(N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)CC1 20206675 RUWYMIZOHLURKZ-IBGZPJMESA-N 337.467 2.625 0 50 EFAA C[C@H](c1ccccc1)N1CC(=O)N(c2ccc(-n3ccnn3)cc2)C1=O 328595133 LSBMUUCLEMQTBL-CQSZACIVSA-N 347.378 2.797 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)c1n[nH]c(=S)n1C[C@H]1CCCO1 6007609 DEQBAKNAIBEMMM-CMPLNLGQSA-N 349.412 2.988 0 50 EFAA CC[C@@H](C(=O)N1N=C(C)C[C@]1(O)C(F)F)n1nc(C)c(Cl)c1C 6554843 OOQRVQCRHURJSX-HZMBPMFUSA-N 348.781 2.666 0 50 EFAA C[C@]1(C[C@@H]2CCCN2C(=O)[C@H]2CCCC(F)(F)C2)N=C(O)N=C1O 329342262 BAYYOJLHZAKUJW-ZIBATOQPSA-N 343.374 2.836 0 50 EFAA CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(C)c(C)s1 356584303 UXZJIBVDCFTCJQ-UHFFFAOYSA-N 337.533 2.855 0 50 EFAA Cc1cccc([C@@H](CNC(=O)N2CCC23CCC3)N2CCOCC2)c1 435579164 NQIBZHQUNQRTTF-GOSISDBHSA-N 343.471 2.706 0 50 EFAA CCOc1ccccc1C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 125294661 MFORESITOIBLMP-LBPRGKRZSA-N 330.350 2.794 0 50 EFAA Cc1nc2c(c(N[C@@H](C)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)n1)CCNC2 216480008 MVBLJZKPCNKUHY-FORGLYIRSA-N 342.487 2.562 0 50 EFAA C[C@H]1CC(=O)NCCN1C(=O)c1ccccc1COc1ccccc1 371042041 OYHJBMBDXVGEML-HNNXBMFYSA-N 338.407 2.616 0 50 EFAA CN1CCCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 72479228 JWASQMLEDJWEQY-UHFFFAOYSA-N 325.391 2.677 0 50 EFAA c1ccc([C@H]2COCCN2Cc2cnc(N3CCOCC3)s2)cc1 372403926 IJYYPQCOMQJELT-QGZVFWFLSA-N 345.468 2.553 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C12CCCC2 174565218 CWNGKANIBPEQMV-DLBZAZTESA-N 340.423 2.996 0 50 EFAA NC(=O)[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 241588252 PBHFSUVJTPWVJB-BBWFWOEESA-N 332.350 2.611 0 50 EFAA CN(Cc1csc(COc2ccc(F)cc2)n1)Cc1nnc[nH]1 174819735 QSFFFWIWTVJCTG-UHFFFAOYSA-N 333.392 2.611 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cnn(C)c2)C12CCCC2 241795531 RZYYVTGHVJQUCB-LUKYLMHMSA-N 331.460 2.720 0 50 EFAA COc1ccc(CC(=O)Nc2nc(CN3CCCCC3)cs2)nc1 339430867 CKBYUUZYSVLCIM-UHFFFAOYSA-N 346.456 2.714 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1 220309670 NFWUKYBXPFCBAB-HZPDHXFCSA-N 343.427 2.604 0 50 EFAA CC(C)(C)OC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 40448403 WZXFCLVBUXTWRS-UHFFFAOYSA-N 334.416 2.631 0 50 EFAA biogenic Cc1nn(CCNC(=O)c2cccc(-c3c[nH]ccc3=N)c2)c(C)c1C 426373885 XYDGHECPJYVOMU-UHFFFAOYSA-N 349.438 2.713 0 50 EFAA O=C(CCc1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1 20607710 LZPQZVDHCKUUMJ-UHFFFAOYSA-N 346.427 2.804 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 95380469 SHKVSHLYXXMWPG-GOSISDBHSA-N 326.440 2.999 0 50 EFAA CC[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1F 161949814 FLWLSBGCXAITIK-FZMZJTMJSA-N 348.871 2.801 0 50 EFAA CSCc1noc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)n1 91350464 HVQSUJGYHXFLFW-LSDHHAIUSA-N 336.505 2.795 0 50 EFAA O=C1CC[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)N1 91288578 IEHXFJPPCNOWKS-LJQANCHMSA-N 348.446 2.874 0 50 EFAA O=C1C[C@@H](C(=O)NCCSc2ccccn2)c2cc(F)ccc2N1 92062236 HSLUNEFARJYNIQ-CYBMUJFWSA-N 345.399 2.555 0 50 EFAA COc1cc(N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)nc(N)n1 96139497 NUGPRCZYRMFOBB-LBPRGKRZSA-N 338.415 2.636 0 50 EFAA CCc1ccccc1OC1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 91365155 DQIINHVQKKYPSV-UHFFFAOYSA-N 348.406 2.938 0 50 EFAA COc1coc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)cc1=O 294470302 WTTRYSAWZHHYHP-CYBMUJFWSA-N 340.379 2.668 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(-c2c(F)cccc2F)c1 299742105 GXBWIXZCIBJIDX-DOMZBBRYSA-N 348.324 2.670 0 50 EFAA Cc1cc2cccc(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)c2o1 252539919 ORLUAKSYLIDARH-LXZKKBNFSA-N 339.395 2.717 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)NCCCc1cnn(C)c1 534586264 OIAVOUKPBIJVAR-UHFFFAOYSA-N 339.443 2.649 0 50 EFAA CN(C)c1ccc(C(=O)NCc2nc(C3CCCCC3)no2)cn1 299779174 SLSUEKKNXXJLFL-UHFFFAOYSA-N 329.404 2.508 0 50 EFAA COc1cc(-c2nc(C)nn2CCO)c(Cl)cc1OC(C)C 828778477 QZZMVEMNKRFIMZ-UHFFFAOYSA-N 325.796 2.695 0 50 EFAA COc1ccc(Cc2nc([C@H]3CCc4ccccc43)n(CCO)n2)cc1 828777053 WVUNZERBDQADTK-IBGZPJMESA-N 349.434 2.948 0 50 EFAA Cc1cnc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)cn1 827647395 HIJHXYUYIMOLNC-GOSISDBHSA-N 342.418 2.768 0 50 EFAA O=C(CCc1ccncc1)NC[C@@H]1CCCN(Cc2ccoc2)C1 827822366 BYFBCYXFYQRNQC-KRWDZBQOSA-N 327.428 2.636 0 50 EFAA Cc1ncc(C(=O)NCc2noc(C3CC3)n2)c(-c2ccccc2)n1 670450791 WLTCSZCRAVUOTP-UHFFFAOYSA-N 335.367 2.642 0 50 EFAA Fc1cccc(-c2nnc(CN3CCC[C@H](c4cc[nH]n4)C3)o2)c1 670454803 LHTHQRWSAIOXIL-ZDUSSCGKSA-N 327.363 2.978 0 50 EFAA C[C@H]1CN(C)C[C@H](c2nc(-c3cccc(Br)c3)no2)O1 685942489 UHWSKSCXYPZWMP-JOYOIKCWSA-N 338.205 2.891 0 50 EFAA CC(C)c1nnc(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)o1 1565530245 IVLDJQINRBGYDI-HIFRSBDPSA-N 347.488 2.746 0 50 EFAA O=C(N[C@H]1CCNC[C@@H]1O)c1cccc(-c2ccc(F)cc2Cl)c1 1565511325 DPMGBVFKMLJBER-IRXDYDNUSA-N 348.805 2.599 0 50 EFAA O=C(c1ccnc2ccncc12)N1CCO[C@H](c2cccs2)C1 185850908 BAZXGUVFSLGZTO-HNNXBMFYSA-N 325.393 2.905 0 50 EFAA CCc1n[nH]c(C(=O)NC(C)(C)c2nccs2)c1Br 279101714 TVKPWPJXNXQAQI-UHFFFAOYSA-N 343.250 2.856 0 50 EFAA Cc1ccccc1-c1nc(-c2ccnc(N3CCN(C)CC3)c2)no1 664935051 BWYBGDWTAKVJEP-UHFFFAOYSA-N 335.411 2.859 0 50 EFAA Cn1cnc2ccc(-c3ccc(C(=O)NC4CCOCC4)nc3)cc21 665149932 OWRXWFZPDZBHSR-UHFFFAOYSA-N 336.395 2.544 0 50 EFAA C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(Cl)cn1 189751283 RHNYSJORJZMPEE-LBPRGKRZSA-N 345.834 2.619 0 50 EFAA CCc1cc2c(NCc3nc([C@@H]4CCOC4)n[nH]3)nc(C)nc2s1 641664506 IQDPPELJZITPHI-SNVBAGLBSA-N 344.444 2.796 0 50 EFAA Cc1ccc(CN(CCO)C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cc1 190365940 MKHOPSLEDUEQKP-MSOLQXFVSA-N 348.487 2.950 0 50 EFAA CC1(C)CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H](C(F)(F)F)O1 644817844 OPNANMFKNFTMPQ-NSHDSACASA-N 329.322 2.536 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 192749666 KRBBQSFXDMSLFN-SWLSCSKDSA-N 342.411 2.653 0 50 EFAA O=C(C[C@@H]1COCCN1C(=O)[C@@H]1CCc2ccccc21)c1ccco1 677316216 IUJVBHLCHKRCDC-NVXWUHKLSA-N 339.391 2.810 0 50 EFAA CN(C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 1506407324 QPLQWSLUWBSEDU-AWEZNQCLSA-N 348.871 2.725 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 611506 LZOYESSQVBZDBF-UHFFFAOYSA-N 326.324 2.724 0 50 EFAA CCc1cc(NCCCNc2cccnc2)nc(N2CCCC2)n1 1529099406 WUURYNNNPMZMCC-UHFFFAOYSA-N 326.448 2.948 0 50 EFAA O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 5578079 TWNBQRJHDRZLTJ-UHFFFAOYSA-N 348.399 2.863 0 50 EFAA COc1ccc(-c2[nH]ncc2CN[C@H](C)CCn2cccn2)cc1F 11663262 KUNCSCATCYUPMC-CYBMUJFWSA-N 343.406 2.989 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 11785018 QIEMGWXWTCFWKA-IAGOWNOFSA-N 339.439 2.743 0 50 EFAA Cn1ccnc1CN1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 11819120 AEJWEMVNKHPZTJ-HXUWFJFHSA-N 344.503 2.815 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)C1 1857532614 CQYHCGJEGLMALQ-VNHYZAJKSA-N 345.395 2.622 0 50 EFAA Cc1noc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 1857667683 DUNLUZNLRREICS-IAGOWNOFSA-N 343.427 2.625 0 50 EFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccccc1OCCO 1857709413 WCVBVJVNLXZWDD-ILZDJORESA-N 347.455 2.754 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1ccn2nccc2c1 1857728118 OILDOJYPLUECIB-MRXNPFEDSA-N 334.423 2.933 0 50 EFAA CC(=O)c1c(C)nn(C[C@H](O)COc2ccc3c(c2)CCC3)c1C 614531 JNWKHNANKUHZDT-KRWDZBQOSA-N 328.412 2.631 0 50 EFAA CCc1sc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1C 225460011 XVUVSGMONXREHL-UHFFFAOYSA-N 325.430 2.715 0 50 EFAA CC1CCN(C[C@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)CC1 229717922 VGSJDFCFZTUSKE-IEBWSBKVSA-N 329.488 2.657 0 50 EFAA COc1ncc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 247917671 ZQJOFSYILXGXLT-UXHICEINSA-N 349.434 2.989 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 263144161 YOUQUNBKOKFPID-KKUMJFAQSA-N 340.379 2.975 0 50 EFAA CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 263474819 YYHQRBFOZVWIGJ-HNNXBMFYSA-N 342.399 2.577 0 50 EFAA CN(Cc1ccccc1CC(=O)O)[C@H]1CCN(c2ccccc2)C1=O 846243406 AVDICAAVTSGSHJ-SFHVURJKSA-N 338.407 2.551 0 50 EFAA Oc1nncn1C1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 846885464 LKKJBSWAHWVOCS-SFHVURJKSA-N 338.411 2.507 0 50 EFAA C[C@@H]1C[C@H]1c1ccc(CNC(=O)C2C[C@@H]3CSC[C@H](C2)C3=O)o1 863948165 OKSLWYJDXODDGP-ZWOWXGAWSA-N 333.453 2.978 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)N1CCS[C@H]2CCC[C@@H]21 1875278224 JZZUJXLKSVWJHD-GJZGRUSLSA-N 332.473 2.835 0 50 EFAA Cc1nc(C)n(C2CN(C(=O)c3cc(Cl)nc(Cl)c3C)C2)n1 1875369478 QLNHLEQWOMEXQC-UHFFFAOYSA-N 340.214 2.602 0 50 EFAA Cc1ccc(C)c2[nH]c(C(=O)N[C@@H](CO)Cc3nccs3)cc12 1875319858 VRXQUEKJXITODI-GFCCVEGCSA-N 329.425 2.575 0 50 EFAA CCCc1ncc(C(=O)N2CC[C@](C)(NC(=O)c3ccoc3)C2)s1 1875407505 BMFDYLDJWXUJRV-KRWDZBQOSA-N 347.440 2.723 0 50 EFAA O=C(Cc1c(F)cccc1Cl)Nc1ccc([C@H]2CCCN2)nn1 886085385 NLIKXIRXFNKZNR-CYBMUJFWSA-N 334.782 2.875 0 50 EFAA COc1cccc(Cl)c1CC(=O)Nc1ccc([C@@H]2CCCN2)nn1 886085518 SIWNGXQTFSNVCJ-ZDUSSCGKSA-N 346.818 2.744 0 50 EFAA O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@@H](CO)Cc1nccs1 1775994381 DERBAKSUGHPUHZ-GFCCVEGCSA-N 349.843 2.540 0 50 EFAA COc1cc2c(c(OC)c1)CCN(c1cc(N3CCCC3)ncn1)C2 2325792943 XKNUQPHDNDNPCC-UHFFFAOYSA-N 340.427 2.657 0 50 EFAA Cc1c(NC(=O)c2conc2C(C)(C)N)cnn1-c1ccccc1 2325857733 NBMBNKYTWSDCEJ-UHFFFAOYSA-N 325.372 2.615 0 50 EFAA CN1Cc2ccc(COC(=O)c3ccc(-c4nc[nH]n4)cc3)cc2C1 2325859587 CDLONSMRWUTIMA-UHFFFAOYSA-N 334.379 2.774 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 119637 OIUKYDOJRNJSII-GFCCVEGCSA-N 329.352 2.888 0 50 EFAA CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 316158 KKKQTBYFLNZJNO-QGZVFWFLSA-N 340.379 2.603 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)cc2)cc1C 4673557 JWNVQBKKKIBMFI-UHFFFAOYSA-N 329.352 2.784 0 50 EFAA O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)CCC2 4860074 CDTPQJZLBNWUNO-UHFFFAOYSA-N 337.358 2.607 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCC[C@@H](c2ncc[nH]2)C1 221817837 NZLZXYMYGRDZMG-BZUAXINKSA-N 342.447 2.679 0 50 EFAA O=C(NCc1nc(COc2ccccc2)n[nH]1)[C@H]1C[C@@H]1c1ccccc1 412251976 GVBMQWVUTIHSFI-SJORKVTESA-N 348.406 2.804 0 50 EFAA C[C@H](O)CN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 225393023 BRWQRFXVFVNRJT-SJORKVTESA-N 346.515 2.830 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2)n1 9320324 JNMOGJGRFFKASN-UHFFFAOYSA-N 334.397 2.575 0 50 EFAA C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)NC1CCCCC1 9594929 VUPZAQXAPMPKIS-LBPRGKRZSA-N 345.472 2.807 0 50 EFAA Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1Br 343282511 RPMAXQFWSWUKOH-XQQFMLRXSA-N 341.249 2.519 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1C[C@H]1c1ccccc1C)CC2 246954534 FUHNKABWXFXHOX-CADBVGFASA-N 343.467 2.877 0 50 EFAA O=C(c1cc2c(Cl)cccc2[nH]1)N1CCC2(CC1)OCCC[C@@H]2O 215792054 YAODMNWEPICCQL-INIZCTEOSA-N 348.830 2.967 0 50 EFAA COCCN(Cc1nccs1)C(=O)c1c(C)nc2ccc(C)cn12 65493613 XNKJJSUBVIUPIT-UHFFFAOYSA-N 344.440 2.696 0 50 EFAA C[C@H](NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1)[C@H]1CCOC1 252486965 PVUFORKXBBNLMS-KKUMJFAQSA-N 337.489 2.561 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1 77487053 LSPNQULYPVXZEX-GOSISDBHSA-N 332.444 2.549 0 50 EFAA Cn1ccnc1COc1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 230082190 FTKNIZLWTDTSCA-MSOLQXFVSA-N 327.428 2.752 0 50 EFAA Cc1ccccc1CCc1cc(NC(=O)[C@H]2CCc3[nH]ncc3C2)[nH]n1 253429735 OOVJXKKTYKNSJA-HNNXBMFYSA-N 349.438 2.970 0 50 EFAA Cc1cc(C(F)F)n2nc(C(=O)Nc3cccnc3Cl)nc2n1 2768482 HNMCIBSAJGKWLZ-UHFFFAOYSA-N 338.705 2.671 0 50 EFAA O=C(C[C@@H]1CCCCNC1=O)Nc1ccccc1[C@H](O)C(F)(F)F 253431079 NWLGWMMTFORRGS-HZMBPMFUSA-N 344.333 2.527 0 50 EFAA Cn1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1 72164067 YKUGRKVTEHMSPM-UHFFFAOYSA-N 339.361 2.923 0 50 EFAA Cc1nc([C@@H](C)N2CCN(CCO)CC2)oc1-c1ccc(Cl)cc1 155475310 GQLQAWDDAXZMQQ-CQSZACIVSA-N 349.862 2.974 0 50 EFAA Fc1cccc(Cl)c1CN1CCC(NCCn2ccnc2)CC1 155754575 JLKTYKUZWZIDRE-UHFFFAOYSA-N 336.842 2.930 0 50 EFAA CC(=O)NC1(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCCCC1 156161767 LLAPKNGAYGIIFP-KRWDZBQOSA-N 346.427 2.632 0 50 EFAA CC(C)CN1CCC[C@@H](CNC(=O)N2CCC[C@H](c3ccn[nH]3)C2)C1 130875455 YKKDXCQJHQWWDZ-IRXDYDNUSA-N 347.507 2.667 0 50 EFAA Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)nn1C 262559070 XNGKPAAJBQCSPG-HNNXBMFYSA-N 343.427 2.972 0 50 EFAA COc1ccccc1[C@H](O)CN[C@H]1CCC[C@H](c2ccnn2C)C1 369587204 RJJFTGLSHOYQIO-RLFYNMQTSA-N 329.444 2.778 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1cn2ccsc2n1 71780077 RRNBVJZSCAKSLY-SNVBAGLBSA-N 340.412 2.615 0 50 EFAA CC(=O)N1CCC[C@H](CNC2CCC(O)(c3ccccc3)CC2)C1 373550817 XJRIZIICULJFKI-QHGAOEGBSA-N 330.472 2.665 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC[C@H]1C[C@@H](O)c1ccco1 240668569 HNMORUMSSXSVQG-UTSKFRMZSA-N 348.443 2.835 0 50 EFAA CCc1c(C(=O)N2CCC[C@H]([C@H](C)N)C2)cnn1-c1ccccc1 237096185 XZBSOZHTCIFPRB-GJZGRUSLSA-N 326.444 2.634 0 50 EFAA CC(C)c1nnc2n1CCN(c1ncncc1Br)[C@H]2C 241316845 LVKBHVJPZVBGDM-VIFPVBQESA-N 337.225 2.535 0 50 EFAA CC1(C)CN(C(=O)NCc2cnc(C3CC3)o2)C[C@H](C(F)(F)F)O1 333653649 KYWBXJHAGZAWDR-LLVKDONJSA-N 347.337 2.803 0 50 EFAA COc1ccc([C@@H]2[C@H](CN[C@@H]3CCN4CCC[C@H]4C3)CCN2C)cc1 241897115 TVPTYXXBEDNAAS-YOUFYPILSA-N 343.515 2.904 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)s1 215332325 UZCCOSRYDZWVMB-LBPRGKRZSA-N 349.481 2.856 0 50 EFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 281965849 NKWBLLPCAHDJQK-ABAIWWIYSA-N 334.322 2.778 0 50 EFAA CCc1noc2ncc(C(=O)N3CCC(c4cn[nH]c4)CC3)cc12 377754256 QEFBLMUQDFFBGP-UHFFFAOYSA-N 325.372 2.528 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282634213 SWZRPVCSTGWPNG-WMZOPIPTSA-N 339.370 2.510 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1OC 282641359 UCHUCVLBBJXADG-JKSUJKDBSA-N 345.370 2.791 0 50 EFAA CCCc1ncc(C(=O)NC2CCN(Cc3ccncc3)CC2)s1 173137765 ZUUWEFGYZUWZQI-UHFFFAOYSA-N 344.484 2.885 0 50 EFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1CCOCC1 238112779 MUWSTRRPPPRNQY-UHFFFAOYSA-N 341.354 2.585 0 50 EFAA Cc1csc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C2CC2)n1 173382529 WISYIFZDSDOTDB-OAHLLOKOSA-N 343.408 2.664 0 50 EFAA O=C(NC1CCN(CCc2ccccc2)CC1)c1ncncc1Cl 175472483 NIRIRIUNGRQYPM-UHFFFAOYSA-N 344.846 2.567 0 50 EFAA CN1C(=O)[C@H]2[C@@H](c3cccs3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968863 XMMQNOUKFCYDCF-BFHYXJOUSA-N 348.811 2.878 0 50 EFAA Cc1oc(CN(C)C(=O)Cc2ccc3c(c2)CCC3)cc1C(=O)O 178184705 LXSASTDUAZLJRC-UHFFFAOYSA-N 327.380 2.976 0 50 EFAA Cc1cc2nc(CN(C)C(=O)[C@H]3CC[C@@H](C(=O)O)C3)[nH]c2cc1C 426549047 CPCOGZVYEZAFNV-QWHCGFSZSA-N 329.400 2.639 0 50 EFAA O=C(c1ccccc1NCCOc1ccccc1)N1CCOCC1 178261088 BCXRIXDZYINWHG-UHFFFAOYSA-N 326.396 2.650 0 50 EFAA CNCc1nnc(SC[C@H]2CCCOC2)n1-c1cccc(OC)c1 426471347 KZCLJTMVCGNYCQ-ZDUSSCGKSA-N 348.472 2.514 0 50 EFAA O=C(CN1CCC[C@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 95515316 UVYNIQOIGWLINF-SFHVURJKSA-N 335.451 2.887 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)Nc3cccc4c3CCC4)C2)OC1=O 95500134 LIYADFDYRWWQIW-GOSISDBHSA-N 329.400 2.624 0 50 EFAA Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CCNC2)cc1C 179120439 WJRBRRXQHUVNLW-QGZVFWFLSA-N 336.435 2.968 0 50 EFAA CC1(C)[C@H](NC(=O)NC2CCN(CC3CCCC3)CC2)[C@H]2CCO[C@H]21 230153335 RLLSBSHYELXTRJ-KZNAEPCWSA-N 349.519 2.754 0 50 EFAA 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O=C(O)C1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC=CC1 663102663 WTKSLVWLDBNOCV-UHFFFAOYSA-N 347.371 2.628 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]2(CO)CC(C)C)c1 867723079 VUBHZJLOGZPQCP-IBGZPJMESA-N 330.428 2.824 0 50 EFAA CCCCSc1ncc(CN2CCC[C@](CC)(C(N)=O)C2)cn1 1506420463 DVOWKSKJZAMEBL-KRWDZBQOSA-N 336.505 2.846 0 50 EFAA Cc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 1049095 QPLJTZAKSXGXRZ-SFHVURJKSA-N 334.419 2.933 0 50 EFAA CO[C@H]1CN(Cc2cc(C(C)(C)C)n[nH]2)C[C@H]1Cc1cc(C)no1 1529142418 NWAKHIMJYYCUTO-CJNGLKHVSA-N 332.448 2.693 0 50 EFAA CN(C)Cc1cccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1529126798 PYLNBXDODBWFFO-FGYAAKKASA-N 343.515 2.939 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(F)cc(Cl)c1 1704339478 IFQUPNUSBJEMBF-UHFFFAOYSA-N 338.814 2.715 0 50 EFAA COc1cc(Br)c(CN[C@H]2CCO[C@H]2C)cc1OC 134237282 CBHZMUUXPLSMRD-CABZTGNLSA-N 330.222 2.733 0 50 EFAA CN(C[C@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1 11840054 ZDZRWTNTATURDC-HXUWFJFHSA-N 348.462 2.944 0 50 EFAA COc1cccc(OCc2cc(C(=O)NCCCOC(C)C)no2)c1 12057389 ZVVQRYPGAHBXLS-UHFFFAOYSA-N 348.399 2.807 0 50 EFAA COc1cc(C)ccc1OCc1nc(C(=O)NCC(F)(F)F)co1 12091437 FRXRQJKJVIAFLF-UHFFFAOYSA-N 344.289 2.863 0 50 EFAA O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)NCc1ccccc1 12338206 POXXVEPGUTYYSV-NRFANRHFSA-N 336.435 2.975 0 50 EFAA CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(CC(C)(C)C)C1=O 12702617 BGSMDKVTZZERLF-LJQANCHMSA-N 336.451 2.657 0 50 EFAA C[Sn](C)(C)[Sn](C)(C)C 169743142 CCRMAATUKBYMPA-UHFFFAOYSA-N 327.632 2.741 0 50 EFAA CCOc1ccccc1Nc1nc(N)nc(CN2CCCC[C@H]2C)n1 4168461 HHXJKPQCRMZZEA-CYBMUJFWSA-N 342.447 2.971 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@@H]1CCCCO1 328615995 BHGYDLGEFMPCFZ-BJLQDIEVSA-N 345.487 2.882 0 50 EFAA COc1ncc(Cl)c(N2CCC[C@@H](Oc3ncccc3F)C2)n1 330138658 OLSYQNSWTCUUOI-SNVBAGLBSA-N 338.770 2.721 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cc(C)no1 331780520 DXFIJZGDWUTMBI-ZDUSSCGKSA-N 336.413 2.826 0 50 EFAA Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(O)n1 361526221 WUDDCYJZBVDBPR-UHFFFAOYSA-N 344.758 2.729 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)c1 364937777 UMQSKUBYZSQUPK-QGZVFWFLSA-N 325.364 2.607 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907922145 DZKNOGTVLIWGIP-BSJXLVFVSA-N 342.317 2.638 0 50 EFAA COc1ccc(-c2nnc(N3CCC4(CCNCC4)C3)s2)cc1 817859017 LWTUBHAOXWMXGU-UHFFFAOYSA-N 330.457 2.794 0 50 EFAA COC[C@H]1CCN1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 873215496 FICZUAKRVNPQAY-GFCCVEGCSA-N 337.326 2.550 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccnc2ccccc12)N1CCO[C@H](c2cc[nH]n2)C1 1875297602 YBKBXAJLWOZOLB-FCEWJHQRSA-N 348.406 2.662 0 50 EFAA CC(C)c1nnc(N2C[C@H](c3ccc(F)cc3F)[C@@H](C(=O)O)C2)o1 1875266649 VDJLVTAOHMIODN-NEPJUHHUSA-N 337.326 2.776 0 50 EFAA Cc1cc2cc(CNC(=O)Cc3ccc4c(n3)OCCO4)ccc2[nH]1 1875257078 HJHJMVJMEHAYEJ-UHFFFAOYSA-N 337.379 2.501 0 50 EFAA Cc1cc(C)n(-c2ccc(CC(=O)Nc3cnc4cccnn34)cc2)n1 1875323159 ZRBLNBLFQIMWMN-UHFFFAOYSA-N 346.394 2.713 0 50 EFAA CN(C(=O)C[C@H]1C=CS(=O)(=O)C1)C1(c2cccc(Cl)c2)CC1 1875320251 MNZWWBFPUQZXSN-GFCCVEGCSA-N 339.844 2.736 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)c2ccc(C)c(F)c2)CC[C@@H]1C(F)(F)F 886043504 VGAILDIMZIADCJ-GXTWGEPZSA-N 346.324 2.806 0 50 EFAA Cc1nc(CC(C)C)c(C(=O)N2CC[C@](CF)(C(=O)O)C2)s1 1775996658 BZDWMCANDPGYFT-OAHLLOKOSA-N 328.409 2.536 0 50 EFAA O=C(CCC1CCNCC1)N1CC[C@@H](COCc2ccccc2)C1 155741384 QXEJYEVGSDSYTI-LJQANCHMSA-N 330.472 2.832 0 50 EFAA O=C(O)Cc1cccc(NC(=O)c2ccncc2Br)c1 395876380 MINKORRRAVTFEO-UHFFFAOYSA-N 335.157 2.724 0 50 EFAA CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)C1CCCCC1 9189718 KKKWAUWYQGRWAD-UHFFFAOYSA-N 336.819 2.857 0 50 EFAA CC(C)(C)c1csc(CN2C[C@H](C(=O)O)CC23CCOCC3)n1 2325783418 XXBCEQSFZLAONN-GFCCVEGCSA-N 338.473 2.896 0 50 EFAA Cc1ccc(-c2noc(-c3ccc(CCN(C)C)cc3)n2)c(=O)n1C 2325796457 RMAVODZSAXJVAA-UHFFFAOYSA-N 338.411 2.515 0 50 EFAA C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2CCc3cc(C(=O)O)ccc3C2)C1 2325880201 YJNXPGJZKIWEPY-JEBQAFNWSA-N 345.439 2.954 0 50 EFAA CCOc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 29692 ZRFKXYFTONFCTA-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2)n1 116233 NZHHAKVDBRMLFL-UHFFFAOYSA-N 342.218 2.657 0 50 EFAA CCOC(=O)CSc1nnc(-c2cc(Cl)nc(Cl)c2)n1C 166702 JOLMLGFTFRVDKK-UHFFFAOYSA-N 347.227 2.839 0 50 EFAA NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 184432 DLNCJIDHGFMAMX-FSPLSTOPSA-N 334.685 2.889 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1F 202293 GKFVCXFKRWHYTO-AWEZNQCLSA-N 334.372 2.649 0 50 EFAA Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1O 565399 VADKSFKXEIFQKI-KRWDZBQOSA-N 331.755 2.767 0 50 EFAA CCOC(=O)[C@@H](C)Oc1cc(Br)c(C=O)cc1OC 619392 QZFNJVATOUTMIP-MRVPVSSYSA-N 331.162 2.601 0 50 EFAA CCCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1OC 2057963 YEWDDXJLIROSLG-MRXNPFEDSA-N 348.399 2.627 0 50 EFAA Cc1sc2nc(SCc3csc(N)n3)n(C)c(=O)c2c1C 4865928 TZHKFLGOMWSIAT-UHFFFAOYSA-N 338.483 2.943 0 50 EFAA COC[C@@H](C)N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 4998764 WVXRLPRHRVEBLW-NXEZZACHSA-N 345.226 2.815 0 50 EFAA CSc1nc(N(C)CCO)c2sc3c(c2n1)COC(C)(C)C3 6662863 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341.367 2.627 0 50 EFAA O=C(O)c1ccc(Br)cc1I 37742556 JYNKVVLDGGRVFE-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA Oc1cccc2c1C[C@@H](N=c1[nH]n3cc(-c4cccnc4)nc3s1)C2 428677780 SZYAJMNSQHTAAX-ZDUSSCGKSA-N 349.419 2.560 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccc3oc(C)nc13)CC2 328588403 FHZPOSMZAZCOOH-JKSUJKDBSA-N 344.411 2.528 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 331061153 UFDGEAJIOZVUFE-BBRMVZONSA-N 346.402 2.539 0 50 EFAA O=C(C[C@H]1COCCN1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 72146383 SGIYFTAEUFTNGP-HNNXBMFYSA-N 336.395 2.547 0 50 EFAA COc1ccc2cc([C@H]3CN(c4cc(N)ncn4)CCO3)ccc2c1 71775856 BRVQORUHVAWHTQ-QGZVFWFLSA-N 336.395 2.799 0 50 EFAA COc1ccc(N(C)C(=O)[C@@H]2CCCC23OCCO3)cc1Cl 253406192 WNOPQBACSYKUEK-LBPRGKRZSA-N 325.792 2.855 0 50 EFAA CC(C)(C)CS(=O)(=O)NC1CCC(O)(c2ccccc2)CC1 253430990 YYMNCWMCCDITBC-UHFFFAOYSA-N 325.474 2.782 0 50 EFAA CO[C@](C)(CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)C1CC1 253430037 WCFZWMJOAZXJHS-SMNXXWJPSA-N 330.428 2.826 0 50 EFAA 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COc1cc(NC(=O)Cn2ccc(C(=O)O)n2)c(C2CC2)cc1Cl 909916960 DFQCJCVQZAMHSN-UHFFFAOYSA-N 349.774 2.759 0 50 EFAA CCc1nc(O)c(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1C 823760070 CUMIHHWMLVOOEK-GFCCVEGCSA-N 344.386 2.609 0 50 EFAA Cc1ccc2nc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)sc2n1 932697964 QXVNGXXEAUSKHO-VIFPVBQESA-N 330.417 2.784 0 50 EFAA Cc1noc(-c2ccc(N3CCC([C@H]4CCCNC4)CC3)nc2)n1 849241178 ZYRALCKEIFHMLB-HNNXBMFYSA-N 327.432 2.656 0 50 EFAA CN(C(=O)OC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 857705383 ABZVRSNOXDHLQP-CABCVRRESA-N 333.363 2.886 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)[C@H]1CC1(Cl)Cl 862812215 JUMVPACLNJBFEN-MNOVXSKESA-N 328.174 2.948 0 50 EFAA C[C@H](CO)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C1CCCC1 863983367 GLXVEFUDGKVHQA-KBMXLJTQSA-N 326.481 2.773 0 50 EFAA CN(C)c1ncc(CN2CC(C)(C)[C@H]2c2nccn2C2CC2)n1C 952893026 QUQUIPMIRSAMDJ-OAHLLOKOSA-N 328.464 2.601 0 50 EFAA CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875289003 PBOVGIBPYUOKQU-APIJFGDWSA-N 330.494 2.610 0 50 EFAA Cc1ccoc1CC(=O)N1CCCn2ncc(C(=O)OC(C)(C)C)c21 1875275610 CYBCZNRPIQNHQF-UHFFFAOYSA-N 345.399 2.719 0 50 EFAA Cc1cc(F)c2ncc(C(=O)NCc3nc(C4CC4)n[nH]3)cc2c1 1875294725 VDKXKKPGJLDUAP-UHFFFAOYSA-N 325.347 2.608 0 50 EFAA C[C@H](NC[C@@H]1CCCO[C@H]1c1cnn(C)c1)c1cccc(CO)c1 886079989 IBNRADGEQYOLPB-UCLAIMLFSA-N 329.444 2.731 0 50 EFAA Cc1cc(-c2nc(C(=O)N3CCN(C)C[C@@H]3CC(C)C)co2)ccn1 886600181 OOXTWNYRJBLOMT-INIZCTEOSA-N 342.443 2.847 0 50 EFAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)n1 1775999821 WYYBYBQAWHNGRW-LURJTMIESA-N 332.731 2.530 0 50 EFAA C/C(=C\C(=O)N1CCC[C@H](n2cc(C(=O)O)cn2)C1)c1cccs1 2325757728 GXBFEOXYRMNBEB-BCNIOPEESA-N 345.424 2.910 0 50 EFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]([C@H](O)c2ccccc2)C1 2325782951 PDLWYHGUDZPNAU-YLJYHZDGSA-N 346.471 2.511 0 50 EFAA CCC[C@H](C(=O)N[C@@H](C)c1ncon1)n1sc2ccccc2c1=O 2325784816 LVGMDGSJSKKTKS-CMPLNLGQSA-N 346.412 2.665 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)[C@]3(F)C[C@@H](C(=O)O)C3)c2C)c1 2325803240 ZLPCDIUFYIJICM-QGGXVJLZSA-N 345.374 2.939 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(CC(N)=O)cc3)cc2)c1C 2325817693 MRAHPUHWIKCSAB-UHFFFAOYSA-N 348.406 2.769 0 50 EFAA Cn1nc(COC(=O)c2cc(Br)ccc2O)cc1Cl 2325839752 DFXHHXDQDLLGBV-UHFFFAOYSA-N 345.580 2.899 0 50 EFAA COc1ccc2[nH]c(NC(=O)c3cn4cc(CN)ccc4n3)cc2c1 2325857002 LTYZATCLIPLALR-UHFFFAOYSA-N 335.367 2.535 0 50 EFAA Cc1cccc(C)c1-n1nnnc1CN[C@@H]1CC(C)(C)OC1(C)C 119792718 XHLUCVKDTXCKEX-CQSZACIVSA-N 329.448 2.715 0 50 EFAA COC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)c(C(N)=O)c1C 433926 RWFXWJCLCKAQFM-UHFFFAOYSA-N 346.408 2.811 0 50 EFAA COC(=O)c1ccc(NC(=S)NCc2cccc(OC)c2)cc1 613093 NXHYDUZYXWFVGL-UHFFFAOYSA-N 330.409 2.968 0 50 EFAA C[C@@H](Cn1cncn1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356145594 DVGFOQUEUVIKGG-VIFPVBQESA-N 347.762 2.785 0 50 EFAA CN(C)c1cccc2[nH]nc(NC(=O)Cc3noc4ccccc34)c12 2356166197 XDDFBUVXQDHWRU-UHFFFAOYSA-N 335.367 2.951 0 50 EFAA CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1 2867154 PQMQFSAVXGKIQE-UHFFFAOYSA-N 331.397 2.987 0 50 EFAA aggregator CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 3555666 HQXLYIVXANLZNG-UHFFFAOYSA-N 348.424 2.588 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)cc1F 3618953 QFQDJIQVUDQSFJ-UHFFFAOYSA-N 347.350 2.671 0 50 EFAA Cc1nc2ccccc2n1S(=O)(=O)c1ccc2oc(=O)ccc2c1 4386676 IIMCAUNDTJNDRQ-UHFFFAOYSA-N 340.360 2.688 0 50 EFAA O=C(NC(=O)C(F)(F)F)Nc1ccc(Br)cc1F 4840193 YPLSBOONKHUVCC-UHFFFAOYSA-N 329.047 2.799 0 50 EFAA CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(N)=O 6698291 KBXZHPJDXGCOHN-UHFFFAOYSA-N 334.445 2.578 0 50 EFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6726403 XNALZKYTRNJOCS-HOTGVXAUSA-N 344.411 2.752 0 50 EFAA Cc1c(C(=O)NCc2ccccc2)sc2nc3n(c(=O)c12)CCC3 6841417 BRUSGSXQPCAEKG-UHFFFAOYSA-N 339.420 2.643 0 50 EFAA COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cnc(OC)nc1C 410391448 LNYNOCCOZOOSKU-WBVHZDCISA-N 347.459 2.737 0 50 EFAA Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(F)ccc3F)nc2n1 2768230 ANQRQKBPBJXJHQ-UHFFFAOYSA-N 339.252 2.901 0 50 EFAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)c1 245852630 MUUDXXGAIRGWJA-MSOLQXFVSA-N 329.444 2.614 0 50 EFAA CCC[C@H](CC)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 225549486 QYBBENMKFFFLOD-GJZGRUSLSA-N 328.478 2.915 0 50 EFAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=NNC(=O)CC1 55369796 MGYSPZCJNNOPKO-GOSISDBHSA-N 338.411 2.516 0 50 EFAA COCCN1C[C@H](c2nc(-c3cccc(OC(C)C)c3)c[nH]2)CC1=O 20513588 YJWPQOHDYXBFHG-OAHLLOKOSA-N 343.427 2.826 0 50 EFAA Cc1nc(CN(C(=O)c2cccc(-n3cccn3)c2)C(C)C)no1 67909924 ZIPNLSQSBHEADX-UHFFFAOYSA-N 325.372 2.615 0 50 EFAA CC[C@@H](C)Oc1ccc(CNCCN2CCNC2=O)cc1Cl 55227171 UGTBGCOZZDVBKI-GFCCVEGCSA-N 325.840 2.632 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1 67602098 HTCXKYMNYUKZHL-UHFFFAOYSA-N 332.407 2.901 0 50 EFAA CC(C)[C@](C)(N)C(=O)N1CCc2n[nH]c(-c3ccc(Cl)cc3)c2C1 67856805 PTCDKURRKVCIFF-SFHVURJKSA-N 346.862 2.988 0 50 EFAA Cc1cc(N(C)CC2CCN(CCO)CC2)nc(-c2ccccc2)n1 65398503 ZONMFGVTFVABBR-UHFFFAOYSA-N 340.471 2.593 0 50 EFAA CC(C)[C@H](C)n1nccc1NC(=O)C1CCN(c2ncccn2)CC1 63870311 FIEHKKAPNHBWRD-AWEZNQCLSA-N 342.447 2.745 0 50 EFAA COc1ccc(-c2nc(CN3C[C@@H]4CNC[C@@H]4C3)c(C)o2)c(C)c1C 67803443 HJGZNUWRVIOTLZ-IYBDPMFKSA-N 341.455 2.927 0 50 EFAA CCOC(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nc1 253417098 RBTOJGSIPMVXDQ-JKSUJKDBSA-N 330.359 2.710 0 50 EFAA CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 65461946 IAOMBOIPRNQYOX-UHFFFAOYSA-N 339.399 2.843 0 50 EFAA CN(CCO)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 39460965 PGMXCNILVGGHGO-UHFFFAOYSA-N 330.775 2.881 0 50 EFAA O=C(NCc1ccc(F)cc1)c1cc2ncc(Br)cn2n1 2793655 CCMWSIOOSMUVFJ-UHFFFAOYSA-N 349.163 2.561 0 50 EFAA Oc1ccc([C@H](O)CNc2nccc(CCC(F)(F)F)n2)cc1 71552291 VUTLQBMPAPLNHK-CYBMUJFWSA-N 327.306 2.823 0 50 EFAA COc1ccccc1COC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 229105044 IQEVIUGXRYRFQH-CABCVRRESA-N 347.377 2.847 0 50 EFAA NC(=O)C[C@@H]1CCCCN1Cc1cnn(-c2ccc(Cl)cc2)c1 120644157 UYIJTSWVEKKBQK-INIZCTEOSA-N 332.835 2.756 0 50 EFAA CCCc1cc(C(=O)NCc2cccc(CN3CCCC3)c2)n(C)n1 77423906 CZIFDXOPVIPRQI-UHFFFAOYSA-N 340.471 2.898 0 50 EFAA FC(F)(F)CN1CC[C@H](NC[C@@H]2CCO[C@H]2c2ccccc2)C1 252512225 OEYYPLLNFNQNLR-JYJNAYRXSA-N 328.378 2.990 0 50 EFAA COc1ccccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 253425944 AYLPKGHDXRFLAG-UHFFFAOYSA-N 341.392 2.953 0 50 EFAA CN1CC[C@@H](CNCc2nc3ccccc3n2C)[C@@H]1c1cccnc1 328646176 SLRBTOWHYQGVEA-JXFKEZNVSA-N 335.455 2.751 0 50 EFAA Cc1cscc1NC(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 123706232 UIVMIMHMPKPNOA-HOTGVXAUSA-N 337.489 2.946 0 50 EFAA COc1cc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)ncn1 71404107 QXSDINWUXWXPIM-ZDUSSCGKSA-N 327.384 2.593 0 50 EFAA Cn1c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)ccc1-c1ccccc1 363565173 XIZRONIPGDMVRM-KRWDZBQOSA-N 337.423 2.575 0 50 EFAA Cc1cscc1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 124546517 ADJXXRWVAYYWDL-CYBMUJFWSA-N 346.456 2.998 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3nc(Cl)cs3)CC2=O)cc1 375935964 UMRGRYGWUBLLJJ-UHFFFAOYSA-N 335.816 2.594 0 50 EFAA O=C(NCc1cccc2c1OCCCO2)[C@@H]1COc2ccccc21 155933459 CKWYHPCQXFSMTB-OAHLLOKOSA-N 325.364 2.640 0 50 EFAA COc1ccccc1CC1(O)CCN(C(=O)[C@H]2CC=CCC2)CC1 370664926 LPEHAFPDEDLXRD-INIZCTEOSA-N 329.440 2.948 0 50 EFAA C[C@@H]1C[C@@H](CCNC(=O)c2ncccc2Br)CCO1 281481546 GAOLSHLJAYGJKD-MNOVXSKESA-N 327.222 2.779 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1 77471629 QDAWYSXONYLVPY-NSHDSACASA-N 328.796 2.595 0 50 EFAA O=C(O)CCCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 262411158 DMXOFXUNTUKIPW-DNVCBOLYSA-N 341.411 2.955 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cnccc1Cl 71765652 JBCBYFOBIDCTEV-NWDGAFQWSA-N 340.807 2.859 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 237512841 XGFSWURSWZOMFC-XTYWZOAOSA-N 328.334 2.937 0 50 EFAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc2c(c1)CCCN2 77535411 YXSKCQYPBMHKFC-MRXNPFEDSA-N 330.428 2.503 0 50 EFAA O=C(COc1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2 13746150 XNCFSWZYURWXCN-UHFFFAOYSA-N 346.210 2.738 0 50 EFAA C[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1 337116873 ZMGMXWILPSVXCY-NXEZZACHSA-N 326.322 2.815 0 50 EFAA COc1cccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1F 241897303 TXMRIRPYJJAAHI-JKSUJKDBSA-N 333.407 2.656 0 50 EFAA C[C@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)CCN1C 221231581 WOSGXGAIHRWKGJ-JTQLQIEISA-N 334.313 2.699 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1nccn1-c1ccccc1 284656042 NNUMFZHKPIWYML-HBFSDRIKSA-N 341.455 2.624 0 50 EFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCc2ccccc2C1 82126314 LTMZSXPIJNFVQL-INIZCTEOSA-N 347.418 2.687 0 50 EFAA N[C@@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@H]1O 82170539 WBJBHMJUFGFOIT-QZTJIDSGSA-N 346.858 2.813 0 50 EFAA Cc1cnc(NCc2[nH]nc3c2CCCCC3)nc1-c1ccnn1C 19222651 FZSKDPISZSEYIJ-UHFFFAOYSA-N 337.431 2.790 0 50 EFAA COc1cccc(-c2nccn2C[C@@H](O)c2cccnc2)c1OC 82107268 PTDJJMOEQRHINF-OAHLLOKOSA-N 325.368 2.696 0 50 EFAA Cc1nn(C)cc1-c1ccnc(N(C)C[C@@H]2Cc3ccccc3O2)n1 48345570 YOBSYAVBYQPLRH-HNNXBMFYSA-N 335.411 2.625 0 50 EFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)NCCc1csc(N)n1 426656946 MEBYQEBBQOPSKS-JTQLQIEISA-N 334.420 2.736 0 50 EFAA CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CCCN2)CC1 237064707 HYZDHIKGLVXLRR-INIZCTEOSA-N 326.444 2.514 0 50 EFAA O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCCOC1 291110314 GNQVCGWQNMMESD-MOPGFXCFSA-N 330.472 2.832 0 50 EFAA O=C1CCC2(CCN(C[C@@H]3CCOc4ccccc4C3)CC2)CN1 95517104 JSEXHLYMHRMPCT-MRXNPFEDSA-N 328.456 2.620 0 50 EFAA COCCC[C@@H]1CCCCN1C(=O)c1cc(OC)cc(C(=O)OC)c1 95356205 LECSMRDEVTYNGK-INIZCTEOSA-N 349.427 2.903 0 50 EFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)C(=O)Nc1ccccc1)C2 91665827 ZRMZEUQSAGUJPZ-SJLPKXTDSA-N 341.455 2.514 0 50 EFAA COc1ccc(-c2cc(C(=O)NCCc3nc(C)cs3)[nH]n2)cc1 91326512 HBBHOOWRXCOKMM-UHFFFAOYSA-N 342.424 2.823 0 50 EFAA COCc1ncc(CN2CCC[C@@](CC=C(C)C)(C(=O)O)C2)cn1 91713182 YFIMFKTWVNFBTD-SFHVURJKSA-N 333.432 2.646 0 50 EFAA COCCc1nc(-c2cccc(N(C)C)c2)n(CC(F)(F)F)n1 95498773 RPUJVASILMUHRZ-UHFFFAOYSA-N 328.338 2.762 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1Cc3ccccc3CN1C)nn2C 95353629 RXJOAQURVARFFA-FQEVSTJZSA-N 348.450 2.555 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 252483492 FCMVCTCMENRRBU-HNNXBMFYSA-N 337.427 2.687 0 50 EFAA CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N1Cc2ccccc2C1=O 252587252 WRCHTUFSIMGECA-USJZOSNVSA-N 346.471 2.580 0 50 EFAA biogenic O=C(Nc1ccc2c(n1)CCC2)N1CC2(CCOCC2)[C@H]1C1CC1 296784438 JTQUVCVWUKNLQQ-QGZVFWFLSA-N 327.428 2.993 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1nn(C)c(C)c1Cl 952970226 UBDBDCNRXHTFLE-UHFFFAOYSA-N 325.800 2.551 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C(=O)O)c2cccc(C)c2)c1C 952973012 RADBRBNBUVOKDY-MRXNPFEDSA-N 328.368 2.698 0 50 EFAA O=C(CCN1CCCCCC1=O)NCc1ccc(F)c(Cl)c1 952992058 WBGUWJPDEMUEQQ-UHFFFAOYSA-N 326.799 2.888 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(C)c1 952979526 NLCPPTRRVQBIRG-UHFFFAOYSA-N 328.368 2.624 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)N[C@H]2COc3c2ccc(C)c3C)n[nH]1 268967849 LNLFJVVNEJIPMG-BZNIZROVSA-N 328.416 2.699 0 50 EFAA COC(=O)C1(O)CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 271230630 BZJGCKWAPGWFOT-HNNXBMFYSA-N 347.455 2.515 0 50 EFAA COc1ccc2c(c1)OC[C@H](NC(=O)NCc1ccc(Cl)cn1)C2 271906713 PRGIBAOBXMZSDP-CQSZACIVSA-N 347.802 2.547 0 50 EFAA C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(C2CC2)[nH]c(=O)c1 186229495 JZLVIOLEFCACNC-SNVBAGLBSA-N 330.409 2.705 0 50 EFAA CO[C@@H]1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)CC[C@@H]1C 187718061 WTHRONLSFWDHHI-KBXCAEBGSA-N 342.443 2.747 0 50 EFAA O=C1Nc2ccccc2[C@@]12CCN(Cc1ccc3nccnc3c1)C2 639068183 CPPYXAZMBKODPW-FQEVSTJZSA-N 330.391 2.726 0 50 EFAA Nc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccn1 193544405 ZYHUEJABEVBHKS-LBPRGKRZSA-N 325.338 2.716 0 50 EFAA O=C(c1cccc(-n2cnnn2)c1)N(CC(F)F)c1ccc(F)cc1 193845427 YFIMVWHNUGYTSB-UHFFFAOYSA-N 347.300 2.713 0 50 EFAA c1ccc(COc2cccc(CN3CCOC[C@@]34CCOC4)c2)nc1 195013716 WTEIDCDKXGTDOF-FQEVSTJZSA-N 340.423 2.652 0 50 EFAA C[S@](=O)C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775758361 QFSDVQYBDAQLOM-FPTDNZKUSA-N 337.828 2.895 0 50 EFAA C/C(=C\c1ccc(C)cc1)C(=O)N1CC(c2n[nH]c3c2COCC3)C1 1653820257 RSZMFJOGAWAJNM-NTEUORMPSA-N 337.423 2.820 0 50 EFAA Cc1ccnc(NC(=O)CCC(=O)N(C)Cc2nc(C)cs2)c1 1506424043 YEHIYZUGQLCXQU-UHFFFAOYSA-N 332.429 2.532 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(c2cncc(C)n2)CC1 1704335033 JUBJTWQKORIQIG-UHFFFAOYSA-N 325.412 2.862 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1C 230464392 JSPOWVULJIRHAV-IAGOWNOFSA-N 331.460 2.629 0 50 EFAA CO[C@H]1CN(CCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 1704300715 YOUOWLGBRWQXLB-KDOFPFPSSA-N 334.391 2.690 0 50 EFAA NCc1nnc(NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)o1 1772709567 KPJQODVCMWFDPF-CQSZACIVSA-N 335.839 2.821 0 50 EFAA COc1cc(C(=O)O)ccc1OCC(=O)N[C@H](C)c1ccccc1 5027779 CUZDZYIPJMXWST-GFCCVEGCSA-N 329.352 2.650 0 50 EFAA CSc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 12206148 RQNAOTFFOZVMLN-CYBMUJFWSA-N 347.484 2.857 0 50 EFAA CCOC(=O)c1nnc2c(-c3ccccc3OC)c(C)nn2c1C 13945692 YJKRLSMNNPHKAL-UHFFFAOYSA-N 326.356 2.593 0 50 EFAA Cn1nc(-c2nc(-c3ccccn3)nn2[C@@H]2CCOC2)cc1C1CC1 1857681087 XROHDWSELXKCBQ-CYBMUJFWSA-N 336.399 2.579 0 50 EFAA COc1ccc(-c2nccn2-c2c(C)n[nH]c2C)c(C(=O)O)c1OC 1857685366 SRJXTQCXESFIFY-UHFFFAOYSA-N 342.355 2.595 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)CNc1cccnc1)CC(C)(C)O2 1857690545 MZMGOWHUVDBCPL-MRXNPFEDSA-N 341.411 2.921 0 50 EFAA CCCOc1ccc(-c2nccn2-c2cn(C)nc2C)cc1CO 1857690796 LUFIGWDPJLKIMY-UHFFFAOYSA-N 326.400 2.862 0 50 EFAA CC[C@H](NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccncc1 229840400 IIJUBVWEHGXFLT-ZOBUZTSGSA-N 348.491 2.720 0 50 EFAA O=C(c1cccc(NCc2cnc3ccnn3c2)c1)N1CCCCC1 648015562 WHCFZTAWOVFEOH-UHFFFAOYSA-N 335.411 2.968 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc(-n2cccn2)c1 237996324 ZGTBHYZEFAVJGC-OAHLLOKOSA-N 327.384 2.732 0 50 EFAA COC1(CNC(=O)c2cccnc2O[C@@H](C)C(F)(F)F)CCC1 241701791 QLCXHPXOQWDGEQ-JTQLQIEISA-N 332.322 2.710 0 50 EFAA FC(F)(F)c1cnc(N2CC[C@@H](NCc3ncc[nH]3)C2)c(Cl)c1 151200174 UGWNGQPLKCHTBS-SNVBAGLBSA-N 345.756 2.845 0 50 EFAA O=C(O)CCCCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 263315696 QHAISKYNBGTHTO-CQSZACIVSA-N 325.792 2.965 0 50 EFAA CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)c(C2CC2)n1 902017713 RKQPLMHJPUAAGR-ZBFHGGJFSA-N 339.395 2.823 0 50 EFAA O=C(c1nc(C2CC2)no1)N1CCC(c2nc3c(s2)CCC3)CC1 902973374 JFJHFSCRVVJKTM-UHFFFAOYSA-N 344.440 2.912 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2cncc(OC(C)C)c2)CC1 803638265 HXHJRBRYJRBULZ-UHFFFAOYSA-N 328.416 2.920 0 50 EFAA CC[C@@H](c1ccc(Cl)cc1)n1cc(CN2CCC(N)CC2)nn1 905800444 XCGFRYPABLQHIQ-KRWDZBQOSA-N 333.867 2.854 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncsc1Nc1ccccc1 910390664 VKLBIOQVZAJWEP-JHJVBQTASA-N 343.408 2.964 0 50 EFAA Cc1cc2nccc(NC(=O)NC3CC(Nc4ccccc4)C3)n2n1 932453082 IAIDSHJOJYSAFQ-UHFFFAOYSA-N 336.399 2.802 0 50 EFAA Cc1nccnc1N1CCN(C(=O)c2ccccc2-n2cccc2)CC1 935817759 FUFBFJGADHCXBU-UHFFFAOYSA-N 347.422 2.538 0 50 EFAA Cc1nc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c2ccccn12 843334592 CHGFXGVGXJPFNS-CVEARBPZSA-N 349.390 2.583 0 50 EFAA C[C@@]1(C(F)(F)F)CCN(C(=O)Cc2nnc(O)c3ccccc23)C1 874489806 VFXNUUXQWHLAPQ-OAHLLOKOSA-N 339.317 2.679 0 50 EFAA CCO[C@@H]1C[C@H](n2nnnc2N2CC[C@H](SC)C2)C12CCCC2 952878909 KGYZMUDBOHKKIR-MELADBBJSA-N 337.493 2.525 0 50 EFAA COCCCN1CCC2(CC1)CN(Cc1ccccc1)C[C@H](C)O2 952995392 KTAMMRSNUOXYNO-SFHVURJKSA-N 332.488 2.778 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2ncc(C[C@H]3CCOC3)s2)c1 1875277578 RTGLNDXWKCNQNI-GFCCVEGCSA-N 346.408 2.602 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)NCc1nc2c(s1)CCCC2 1875270221 RDPNBIBHFAIDNM-UHFFFAOYSA-N 345.424 2.720 0 50 EFAA O=C(Nc1cccc(-n2ccnc2)c1)[C@H]1CC[C@@H](C(F)(F)F)O1 1875271453 WNWRTQYHLHEIBO-OLZOCXBDSA-N 325.290 2.921 0 50 EFAA COc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)c(Cl)c1 887108918 AQEKDGQSDDDPMC-INIZCTEOSA-N 347.798 2.917 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2c(C)[nH]c3ccccc23)C1 888077442 BIWBNVAAOGHUDL-CXAGYDPISA-N 338.411 2.731 0 50 EFAA O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@]2(C=Cc3ccccc3O2)C1 895550761 AUNWEPBGFKLYRY-HBXLWWENSA-N 340.423 2.956 0 50 EFAA O=S(=O)(c1c(Cl)ccc(F)c1F)N1CC[C@@H](c2ccon2)C1 1775989248 ICXLVZBCFQYTOQ-MRVPVSSYSA-N 348.758 2.784 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)N1CCOc2ccc(Cl)cc2C1 2100545702 ZCSIVDLMDKOBQC-CYBMUJFWSA-N 328.865 2.530 0 50 EFAA CCc1nc(O)ccc1-c1nc(-c2ccccn2)nn1[C@H]1CCOC1 2100555588 XXDLFCXEXKNUMB-LBPRGKRZSA-N 337.383 2.632 0 50 EFAA CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 6279468 DBRDOQHLQDKVST-UHFFFAOYSA-N 341.392 2.994 0 50 EFAA CC(C)CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1 2325842737 GXYSMAWRRVGVIU-AWEZNQCLSA-N 346.475 2.690 0 50 EFAA COc1ccccc1N1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O 101129354 NKSHGSYDCDKDOX-HNNXBMFYSA-N 339.395 2.505 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 132833507 DFMFOVTWXXMMPE-MRXNPFEDSA-N 340.398 2.881 0 50 EFAA O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCC1 582863 OIJXDCBBCIVJMD-UHFFFAOYSA-N 330.409 2.723 0 50 EFAA CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC 1137550 UHBIWODCFCNGQT-OAHLLOKOSA-N 340.379 2.620 0 50 EFAA O=C(NC(=S)N1CCN(C2CCCCC2)CC1)c1ccccc1 2869027 VNLJKDIKAVYCCM-UHFFFAOYSA-N 331.485 2.652 0 50 EFAA C[C@H](NC(=O)COc1ccc(Br)cc1)[C@@H]1CCCO1 6700220 OTPNPJIEBQCWGN-GWCFXTLKSA-N 328.206 2.512 0 50 EFAA Cc1cc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cs1 6731429 POGGWJODRLMCHU-UHFFFAOYSA-N 348.453 2.854 0 50 EFAA Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 7609800 CYRBYGOEEVGGGP-UHFFFAOYSA-N 336.388 2.637 0 50 EFAA COC1([C@@H](C)NC(=O)Cc2cccc(OC(C)C)c2)CCOCC1 421763377 VLOFOFSKAVZYAD-OAHLLOKOSA-N 335.444 2.717 0 50 EFAA CCN(Cc1ccc2c(c1)CCO2)Cc1nc2ccccc2c(=O)[nH]1 109825138 UFYSGXKOAVVWKG-UHFFFAOYSA-N 335.407 2.880 0 50 EFAA CN1CCN(C(=O)CCSc2cccc(Br)c2)CC1 225794841 CHDAGQSMGOBCIS-UHFFFAOYSA-N 343.290 2.705 0 50 EFAA C[C@@]1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)C1 136700566 IXWBZDQLEZKKGS-GFCCVEGCSA-N 337.228 2.692 0 50 EFAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(-c2ccc(Cl)cc2)c1 77379098 FQAGHWQSEBTOPL-MSOLQXFVSA-N 343.858 2.655 0 50 EFAA CC1=NO[C@@](C)(C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 67677039 BQJLSQNFGHQKMX-LJQANCHMSA-N 349.394 2.592 0 50 EFAA C[C@H]1CN(Cc2ccccc2Br)C[C@]2(CCOC2)O1 280122961 BUUXQBQGMTVKSY-WFASDCNBSA-N 326.234 2.829 0 50 EFAA CCCCC1CCC(CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 347519576 LEYJSBRIWUHPDK-UYSNPLJNSA-N 329.506 2.924 0 50 EFAA CN1CCN(C)C2(CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)C1 67676336 FMGVUHHHIWOTJG-KRWDZBQOSA-N 349.544 2.811 0 50 EFAA COc1cc(N)cc(Br)c1I 67796592 RHOFBGCGAAEMKD-UHFFFAOYSA-N 327.947 2.645 0 50 EFAA Oc1ncc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c2ccccc12 1364335658 XZFQOVYJALZDLG-KGLIPLIRSA-N 326.318 2.828 0 50 EFAA CCc1ccc([C@H](C)NC(=O)CN2CC[C@@H](n3cc(C)cn3)C2)cc1 352416632 VVUDDGXOYVCVFW-QFBILLFUSA-N 340.471 2.878 0 50 EFAA COCCc1noc([C@H]2CCCN(Cc3ccncc3Cl)C2)n1 215679810 ZAHSROBBJYAJMF-ZDUSSCGKSA-N 336.823 2.687 0 50 EFAA CCc1nnc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)o1 72463855 FAFJWGIFGJTHMU-UHFFFAOYSA-N 331.416 2.608 0 50 EFAA COCC[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1ccc(C)o1 355691208 SNEZGZKKGBFARP-CQSZACIVSA-N 340.383 2.881 0 50 EFAA O=C(COCCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253396401 OKSQKDJJJQQDLK-IPMKNSEASA-N 331.456 2.788 0 50 EFAA Cc1cnc([C@@H]2CCCN(C(=O)CSc3nncs3)C2)s1 253427061 CZLFWRGMDOPKNZ-SNVBAGLBSA-N 340.499 2.801 0 50 EFAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c(C)c1 319883570 XGKZCZQKXFPLRS-UHFFFAOYSA-N 335.381 2.816 0 50 EFAA CC(C)c1csc(NC(=O)N[C@H]2CCCN(c3ccnn3C)C2)n1 364974638 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VKGRSTBKNURCSH-HXUWFJFHSA-N 336.439 2.501 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c2c(Cl)cccc12 284687020 FPOWDCNAUUNMTB-ZWNOBZJWSA-N 345.790 2.666 0 50 EFAA Cc1nc2n(n1)C[C@H](NCc1c(F)cccc1OC(F)(F)F)CC2 284074276 URBYBDZUEVUTDC-SNVBAGLBSA-N 344.312 2.729 0 50 EFAA C[C@H](C(=O)N[C@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1 337116875 ZMGMXWILPSVXCY-VHSXEESVSA-N 326.322 2.815 0 50 EFAA Cc1cccc([C@@H](NC(=O)NCCCc2nc[nH]n2)C(F)(F)F)c1 241644629 PSHKTNXCFYPPRE-CYBMUJFWSA-N 341.337 2.649 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 339437364 PALPMILLTLMTDN-UKRRQHHQSA-N 329.327 2.503 0 50 EFAA CC(C)c1nccn1CCCNC(=O)[C@H](c1ccccc1F)N(C)C 221373191 KOCAVCGMCKLBSQ-KRWDZBQOSA-N 346.450 2.955 0 50 EFAA Cc1ccnc(-c2ccc(NC(=O)N(C)[C@H](C)C[S@](C)=O)cc2)n1 160386564 QEZZUDNHLZSEKP-YEBMWUKDSA-N 346.456 2.683 0 50 EFAA Cc1cc(C)n([C@@H](C)C(=O)N2CCCN(c3ccc(F)cc3)CC2)n1 82108834 VWEUSSOLZMEQPV-INIZCTEOSA-N 344.434 2.939 0 50 EFAA CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1Cc2ccccc2O1 177186865 RLPQRHIUJXYNIN-HNNXBMFYSA-N 349.228 2.750 0 50 EFAA Cc1ccc(-c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)c(C)n1 426705974 YEKJYQQNUWXXCA-CQSZACIVSA-N 335.411 2.985 0 50 EFAA O=C([C@H](c1ccccc1)C1CCCC1)N1CC(N2CCOCC2)C1 220464536 QPDHMDJDWXOXPK-LJQANCHMSA-N 328.456 2.503 0 50 EFAA COc1ccc(F)c(CNC(=O)c2cc(CC(C)C)nn2C)c1F 82115687 ZRWKZVUMMXDQOF-UHFFFAOYSA-N 337.370 2.835 0 50 EFAA CCCc1cc(C(=O)NCCCSc2nnc(C)s2)no1 82136798 FXMILKFMDLLLGH-UHFFFAOYSA-N 326.447 2.699 0 50 EFAA Cc1ccc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c(C)c1 426412267 KXFSGJCIBXVSIE-KRWDZBQOSA-N 327.428 2.964 0 50 EFAA O=C(NC1(Cc2ccc(Cl)cc2)CC1)[C@H]1CC(=O)N(C2CC2)C1 91663042 FZEIBRWBGNRKDI-ZDUSSCGKSA-N 332.831 2.542 0 50 EFAA CC[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)N1CCCC1 91847974 ZNURNFGUTYQZOW-SFHVURJKSA-N 326.444 2.705 0 50 EFAA C[C@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccccn1 180290586 CNLIHNDVVGINKN-GJZGRUSLSA-N 333.432 2.908 0 50 EFAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)C[C@H]2C)cc1 239425696 VAHKKTOMJPBURV-KBAYOESNSA-N 344.455 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C[C@@H](NC(=O)c1cc(C(C)(C)C)nc(O)n1)c1cn2ccsc2n1 299795407 LQQBMKUCPAVVQH-SECBINFHSA-N 345.428 2.680 0 50 EFAA C[C@H]1Cc2cc(NC(=O)NCc3cn4c(n3)SCC4)ccc2O1 299788518 UNEPFPBLCRCOLU-JTQLQIEISA-N 330.413 2.634 0 50 EFAA Cc1cnc(CN(C)C(=O)NC[C@@H]2CCCN(C3CCCCC3)C2)[nH]1 584886740 BCBMFBQIPYGJET-INIZCTEOSA-N 347.507 2.904 0 50 EFAA CCCCNc1ncc2c(=O)n(-c3ccc(CC)cc3)c(O)nc2n1 675026809 QUIIDHXVXUQSIJ-UHFFFAOYSA-N 339.399 2.656 0 50 EFAA CCC(=O)N1CCC[C@H]2CN(C(=O)c3cc(C(C)C)on3)CC[C@H]21 973698009 VEVQXVYJWWBPJG-DZGCQCFKSA-N 333.432 2.661 0 50 EFAA COC(=O)c1cc(CNC(=O)c2cc(C=O)c(C)cc2C)oc1C 1344378803 WCDZPNXYLOYOHT-UHFFFAOYSA-N 329.352 2.734 0 50 EFAA Cc1cccc2ncc(C(=O)Nc3cccc(-c4cnc[nH]4)c3)c(=O)n12 952868167 ZSWHNAPGICDLQR-UHFFFAOYSA-N 345.362 2.645 0 50 EFAA CC1=C(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)OCCO1 952983628 PVPCPDROWNJTMV-MRXNPFEDSA-N 331.412 2.984 0 50 EFAA CCc1nccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)n1 952990987 YVZJKXWBNUBAKN-QGZVFWFLSA-N 328.435 2.932 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N[C@H]3CCOC[C@@H]3O)cc2)c1 1565526580 NCIZOARXOAFCTJ-ROUUACIJSA-N 327.380 2.667 0 50 EFAA CCC[C@@H](NC(N)=O)C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 272533400 KHFWJGBFIMKMGU-UKRRQHHQSA-N 347.463 2.544 0 50 EFAA Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2cnn(C)c2)cc1 170077837 RGFYSMLILFRJBN-ZWKOTPCHSA-N 347.484 2.603 0 50 EFAA CC(C)c1noc(NCc2ccccc2CN2CCC[C@@H]2CO)n1 170614937 JLGNOXIJZSLKPP-MRXNPFEDSA-N 330.432 2.762 0 50 EFAA C[C@H](CN1CCC(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 170602977 UIWKXPNIDYHJJT-OAHLLOKOSA-N 334.435 2.500 0 50 EFAA O=C(O)c1cnc(/C=C/c2ccc(Oc3cnccn3)cc2)nc1O 670369763 AHZMMGJELAMKHR-ZZXKWVIFSA-N 336.307 2.633 0 50 EFAA CN(Cc1cccnc1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189754001 IXDGTBIZCPLPHA-SFHVURJKSA-N 345.393 2.983 0 50 EFAA O=S(=O)(CC[C@@H]1CCc2ccccc21)N1CC[C@@H](n2cccn2)C1 641506259 YLXMJCDKIPXWRS-DLBZAZTESA-N 345.468 2.580 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc3ncccc23)C1 190063965 RHCQKGSGPNMADQ-MLGOLLRUSA-N 338.367 2.528 0 50 EFAA Cc1ccoc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C 684301893 NQJRHISVYLPJTM-KBPBESRZSA-N 335.379 2.535 0 50 EFAA Cc1ncc(CN(C)C(=O)Nc2nnc(C(F)(F)F)s2)s1 193521939 QKFBWBHIIVCFCF-UHFFFAOYSA-N 337.352 2.986 0 50 EFAA C[C@H]1C[C@H]1c1ccc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)o1 194704565 CRXHYHFZSSORMC-DNJNPVOOSA-N 336.391 2.859 0 50 EFAA c1cn2nc(N[C@H]3CCN(C[C@H]4CCC5(CCCC5)O4)C3)ccc2n1 660594235 PMAQOJTURPXRME-JKSUJKDBSA-N 341.459 2.707 0 50 EFAA Cc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 199475 PQRKJWQSCRQIRG-LFIBNONCSA-N 333.416 2.983 0 50 EFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3sccc3Cl)C1)CC2 1704337298 URTRQGAVKJAQOH-INIZCTEOSA-N 348.859 2.894 0 50 EFAA Cc1nc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)no1 1857701962 UIGPGLIMYMPKBX-IAGOWNOFSA-N 343.427 2.625 0 50 EFAA O[C@]1(Cn2ccnc2-c2ccccc2OC2CCCC2)CCNC1 1857730457 QHVPBUBLIMLKLJ-LJQANCHMSA-N 327.428 2.596 0 50 EFAA CCOC(=O)c1cccc(N(CC)C(=O)c2ncn(C(C)(C)C)n2)c1 361606712 KZJXXCYCOMRIOL-UHFFFAOYSA-N 344.415 2.877 0 50 EFAA CCC(CC)[C@@H](C)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 330539314 QSQYFUBHOQBFFQ-LLVKDONJSA-N 338.477 2.788 0 50 EFAA Cn1cc(-c2cccc(CNC(=O)[C@](C)(O)Cc3ccccc3)c2)cn1 342995335 CLZVVRXLUMPREW-OAQYLSRUSA-N 349.434 2.697 0 50 EFAA NC(=O)[C@@H](Cc1ccc(Cl)cc1)Nc1ncnc2ccsc12 343756639 FMVUUBHNGBTAPA-GFCCVEGCSA-N 332.816 2.853 0 50 EFAA O=C(NCc1nccc(C(F)F)n1)[C@@]1(c2ccccc2)CCCO1 935999624 CALKQCGIESULRY-KRWDZBQOSA-N 333.338 2.736 0 50 EFAA O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1CCc2cc(F)ccc21 852003648 MEBIEIZQSVPLOA-FMKPAKJESA-N 340.345 2.927 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNc3nc4cccc(F)c4o3)C2)n1 952889359 AKAQJHBYYJCQKB-OPQQBVKSSA-N 332.335 2.625 0 50 EFAA CCC[C@@H](OC)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952892203 LIEDZDHSYAXAPT-CQSZACIVSA-N 347.390 2.791 0 50 EFAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2Cc3ccccc3O2)C1 952992597 PPXWQNRQKYMBGZ-AWEZNQCLSA-N 342.399 2.705 0 50 EFAA NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CC1 1875287589 QAGQPNSAEZZXMC-ZOBUZTSGSA-N 334.435 2.961 0 50 EFAA COc1cc(F)ccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875298808 OGWMVQUPSBICKF-VHSXEESVSA-N 333.363 2.510 0 50 EFAA Cc1cc2c(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cccc2o1 1875402249 DCXUFYTYRWXVTJ-IAOVAPTHSA-N 339.395 2.507 0 50 EFAA Cc1cc2ccccc2nc1C(=O)NC[C@@H]1CCN1C1CCOCC1 885892865 FFGDVIVUPQDULC-KRWDZBQOSA-N 339.439 2.526 0 50 EFAA CCn1cc(C(=O)N[C@H](C)c2ccccn2)c(C2CCOCC2)n1 886077834 JSXMCEIWNYHZMD-CYBMUJFWSA-N 328.416 2.683 0 50 EFAA O=C(NCCc1cncnc1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 888100158 RNCVUHJBIUSIQB-HNNXBMFYSA-N 346.381 2.887 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Br)cn1 248127450 MCOIZIDSJDUWHO-ZIAGYGMSSA-N 338.249 2.543 0 50 EFAA CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1)c1cccnc1 895393112 WJMWVXCCXOUJAW-CVEARBPZSA-N 327.432 2.649 0 50 EFAA CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl 6017556 ZLYULJKNCGHJHZ-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 17841466 WNCZPIMABVNLJT-TXEJJXNPSA-N 331.441 2.520 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2C(=O)N=c1[nH][nH]c2cc(O)ccc12 2325757380 BDVDDJNBCSIBLD-NSHDSACASA-N 328.397 2.514 0 50 EFAA CCOC(=O)c1c2c(nn1C)CCN(Cc1cccc3cc[nH]c13)C2 2325784288 QGQYXZXRLZYFTM-UHFFFAOYSA-N 338.411 2.636 0 50 EFAA CC1(C)C[C@H](C(=O)NCc2nccn2CCCc2ccccc2)CN1 2325849125 HFCQACYATHZGGN-KRWDZBQOSA-N 340.471 2.520 0 50 EFAA COc1cccc(-c2ccc(=O)n(Cc3ccc4nccnc4c3)n2)c1 2325854501 HFRAGZZCYBCHKH-UHFFFAOYSA-N 344.374 2.910 0 50 EFAA O=C(Nc1nc(CO)cs1)c1cccn1Cc1ccccc1F 2325871570 QNOLNTLZYRJJMU-UHFFFAOYSA-N 331.372 2.877 0 50 EFAA CO[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(F)cc1 246017909 UPPOHPPRVAAPFR-CGTJXYLNSA-N 349.450 2.639 0 50 EFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1 89439 HMEIIYOXONIBAK-UHFFFAOYSA-N 337.401 2.768 0 50 EFAA COC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 390231 IKGZYZMWQRKYMW-UHFFFAOYSA-N 334.335 2.648 0 50 EFAA CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 469897 INAWNYQJGRFFRQ-HNNXBMFYSA-N 334.441 2.830 0 50 EFAA CCCN1C(=O)[C@@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 527984 VYYRZWOQGWAAIP-HXUWFJFHSA-N 339.391 2.912 0 50 EFAA COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)C[C@H]1C 2499388 DJLGSTKNGBXRSF-NOZJJQNGSA-N 333.384 2.587 0 50 EFAA Oc1nc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)nc2ccsc12 2356167650 WZNQLIXTLOSLMX-UKRRQHHQSA-N 341.436 2.747 0 50 EFAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C)c1ccccc12 4090632 QTVPMJUKTMPIAB-NRFANRHFSA-N 345.402 2.793 0 50 EFAA biogenic COc1ccccc1CNS(=O)(=O)Cc1ccccc1Cl 4814452 LEYBRZTUZGMXJB-UHFFFAOYSA-N 325.817 2.968 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1)[C@@H]1COc2ccccc21 221971180 ZSPSYIJQLGCCPU-UOVPBQLFSA-N 343.471 2.677 0 50 EFAA O=C1[C@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1C1CC1 411996044 GASBTSQTHQUGEG-MSOLQXFVSA-N 326.440 2.603 0 50 EFAA CCS[C@H](C)c1noc(CN(C)[C@@H]2Cc3ccccc3[C@H]2O)n1 245646662 FXGVAUZFGPPWFG-DJSGYFEHSA-N 333.457 2.974 0 50 EFAA CCc1nccn1CCCNC(=O)[C@@H](CC)Nc1cccc(OC)c1 55053725 VLLJTJRAMLLBHL-QGZVFWFLSA-N 344.459 2.851 0 50 EFAA COCCN(Cc1sccc1C)C(=O)Cn1nc(C)c(C)c1C 55358999 PDYZAVKVKBLYAJ-UHFFFAOYSA-N 335.473 2.853 0 50 EFAA COCCN(Cc1cccs1)Cc1cccn1-c1ncccn1 55183282 SPRKMXQRYKKDNL-UHFFFAOYSA-N 328.441 2.977 0 50 EFAA CCOc1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1OC 116478981 PPNPLUMUXNPCRH-CYBMUJFWSA-N 344.415 2.849 0 50 EFAA O=C(Cn1ccc2ccccc2c1=O)N1CCc2cccc(F)c2C1 344534089 ILPLCZZDQCIQNK-UHFFFAOYSA-N 336.366 2.726 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O 249420290 HJGUVLNUSQHDGR-RGYTYGDFSA-N 326.400 2.634 0 50 EFAA CCCC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2cnccn2)c1 55402281 FURWZDUNCAEVHK-CYBMUJFWSA-N 326.400 2.576 0 50 EFAA Cc1ccc(C)c(NC(=O)CCNC(=O)c2cc(C(C)C)nn2C)c1 65374043 GONLVKURIFKWJA-UHFFFAOYSA-N 342.443 2.919 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)[nH]n1 67539911 BERMDBPFTYOMBG-WMLDXEAASA-N 331.391 2.663 0 50 EFAA C[C@H](O)CCNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 67894646 RMMZEYWNJRBPHM-VIFPVBQESA-N 342.754 2.547 0 50 EFAA CCN(c1cccc(OC)c1)S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 1363943674 OSESNDJFJSDZNR-INIZCTEOSA-N 339.457 2.953 0 50 EFAA CCO[C@@H]1C[C@](CO)(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1(C)C 252585305 HQXJGRMJUBDNLS-XFIJJGBISA-N 346.515 2.978 0 50 EFAA Cc1cc(NC(=O)[C@]2(C)CC2(Br)Br)no1 2770693 RNIFFCXLLSWVCY-QMMMGPOBSA-N 337.999 2.818 0 50 EFAA CCc1nc(N[C@H](C)COc2ccccc2OC)c2cnn(C)c2n1 72151236 YZNXDCZKGCEACK-GFCCVEGCSA-N 341.415 2.814 0 50 EFAA CC[C@H](NC(=O)c1csc(SC)n1)c1cn2cccnc2n1 216366445 VDITWFVCXVCENC-VIFPVBQESA-N 333.442 2.789 0 50 EFAA CS(=O)(=O)Cc1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1 361209150 DLYLEQAVDKRQDL-UHFFFAOYSA-N 347.411 2.610 0 50 EFAA COc1cc(F)ccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(C)cc21 35686360 JYKKVTIFLBCDLH-GOSISDBHSA-N 329.327 2.555 0 50 EFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccccc3)C2)c1 5030541 YLVRONARKAFMLB-GOSISDBHSA-N 340.379 2.513 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 72459066 NISQWLBYHLEFOD-MRXNPFEDSA-N 346.471 2.508 0 50 EFAA O=S(=O)(c1ccccc1F)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 328586818 LATKNXZYFIGDRI-CVEARBPZSA-N 349.427 2.612 0 50 EFAA Cc1ccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nc1 328653595 WYLPLBHRJYJFJW-QFBILLFUSA-N 327.476 2.638 0 50 EFAA C[C@@H](C(=O)N1Cc2ccccc2OC[C@@H]1C)N(C)CC(F)(F)F 281634491 QIJSIQNFERFYIG-RYUDHWBXSA-N 330.350 2.679 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C2CC2)C1 281853982 NUZZRCKTZHKCFW-DLBZAZTESA-N 342.418 2.937 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NS(=O)(=O)Cc1ccccc1 172313744 HPHJPXVBJNQVPT-OAHLLOKOSA-N 345.420 2.589 0 50 EFAA Cc1occc1-c1cc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)no1 366749556 FLNOCNFUQIHUNK-JSGCOSHPSA-N 331.372 3.322 0 50 EFAA O=C([C@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1)N1CCCC1 71747316 HWACAVZHRNYMNB-KRWDZBQOSA-N 345.487 2.578 0 50 EFAA CN(C(=O)c1ccc(N2CCCCCC2)nc1)[C@@H]1CCCNCC1 372568783 AKPBRJCWEFSEOA-QGZVFWFLSA-N 330.476 2.676 0 50 EFAA C[S@](=O)C1(CNC(=O)Nc2cc(-c3ccccc3)ns2)CC1 282322493 SMCXBRODMDZUAM-QFIPXVFZSA-N 335.454 2.843 0 50 EFAA Cc1c(O)cccc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 72149965 COAMZDMLFFSERL-UHFFFAOYSA-N 336.391 2.827 0 50 EFAA O=C(CN1CCCCCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77299990 JNDYPWGBNBVJMZ-FQEVSTJZSA-N 344.499 2.705 0 50 EFAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CC(C)(C)O2 284754244 OEHLUGNOHFCDNW-YJBOKZPZSA-N 327.428 2.753 0 50 EFAA COCCN1C[C@@H](Cc2ccc(N(C)C)c3ccccc23)CC1=O 223786974 WQPWAIBVRVMUOH-HNNXBMFYSA-N 326.440 2.943 0 50 EFAA C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2nccs2)C1 222210027 WRUCIRPSHGTPPJ-BXUZGUMPSA-N 342.424 2.514 0 50 EFAA Cc1nccn1CC1(CNC(=O)c2ccc(-n3ccnc3)cc2)CC1 97815422 TUKBCDBPEWDECS-UHFFFAOYSA-N 335.411 2.587 0 50 EFAA COC[C@]1(O)CCN(C(=O)CSc2ccccc2C)CC1(C)C 91846241 IHADFZUXHYBFLF-GOSISDBHSA-N 337.485 2.723 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 239653704 BKUUMJOGNUEOFG-UIBIWLFHSA-N 330.428 2.939 0 50 EFAA CCN(C(=O)c1cccc(-c2ccc(C)nc2C)c1)[C@@H](C)C(N)=O 426697322 KTGHOSKWRWHZEH-AWEZNQCLSA-N 325.412 2.701 0 50 EFAA O=C(c1cncc(-n2ccnn2)c1)N1CCCc2c(F)ccc(F)c21 338447124 IPAXHWAWNATLQX-UHFFFAOYSA-N 341.321 2.534 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 91859963 IVOGGQAZDFGKEB-GOSISDBHSA-N 335.448 2.726 0 50 EFAA Cc1cccc2cc(C(=O)NCc3ccccc3-n3cncn3)n(C)c12 95380662 PUZSMRMRKGRJRF-UHFFFAOYSA-N 345.406 2.997 0 50 EFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@H](C(N)=O)c3ccccc3)c2c1 91746754 JVPWJTRJVIPMCX-FQEVSTJZSA-N 349.434 2.978 0 50 EFAA Cc1nc([C@@H](C)NC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)n[nH]1 96152235 WPFNTOCVIARULJ-SECBINFHSA-N 327.392 2.996 0 50 EFAA Cc1ccn2cc(CN3CCN(C4Cc5ccccc5C4)CC3)nc2c1 244796187 RUNLQHQQRPHJRH-UHFFFAOYSA-N 346.478 2.928 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCO2 244817174 SVMADBGIEAUJSZ-JKIFEVAISA-N 329.421 2.925 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 299743191 MLWPCLSFDHADJT-CYBMUJFWSA-N 346.358 2.737 0 50 EFAA Cc1ncn(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1C 299802165 XRWXKUQZANQDRB-LJQANCHMSA-N 340.471 2.528 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 952868296 IXSLNKCUNRTZKP-UHFFFAOYSA-N 338.367 2.760 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)CCn1cnc2ccccc21 952975900 LVXYRNAWVNGANQ-GOSISDBHSA-N 338.411 2.668 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 408519860 JCIZOBKLFWNFKR-HKUYNNGSSA-N 329.371 2.635 0 50 EFAA O=C1C[C@@H](NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CN1 408514728 XNRKGOQYXOYCCI-CYBMUJFWSA-N 336.351 2.505 0 50 EFAA CC[C@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@H]1O 271382349 RRUSYAHZCBRKKC-HZMBPMFUSA-N 341.242 2.777 0 50 EFAA COc1ccc(CC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1F 269612205 WKEWVBDRXFNTRZ-VOJFVSQTSA-N 335.350 2.754 0 50 EFAA O=C(c1ccco1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275557634 HZWTVFRGDKANCV-CQSZACIVSA-N 327.384 2.568 0 50 EFAA CC1(C)[C@H]2CN(C(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]21 170085680 WXYHRGJDWQATPC-HZSPNIEDSA-N 327.346 2.723 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCC([C@@H]2CCCO2)CC1 170603216 DKGVOFHAIKSPOE-KURKYZTESA-N 346.475 2.967 0 50 EFAA CCc1cncc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 279707274 KBXQOXYYASCFBX-PBHICJAKSA-N 332.350 2.870 0 50 EFAA Cc1c(CN(C)C(=O)C2(c3nccc4ccccc34)CC2)cnn1C 632801556 IQBYYDDTPOLQAR-UHFFFAOYSA-N 334.423 2.967 0 50 EFAA C[C@@H](NC[C@H](O)CC1(O)CCOCC1)c1ccc2ccccc2c1 634636965 MVPQUBIDRGPEPV-DNVCBOLYSA-N 329.440 2.783 0 50 EFAA O=C(CNC(=O)C1(Cc2ccccc2Cl)CC1)Nc1cccnc1 187544476 OMNARFOPNOVUFD-UHFFFAOYSA-N 343.814 2.813 0 50 EFAA COCCOc1ccc(NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1Cl 188688545 VINJYALEDMSJDN-ZIAGYGMSSA-N 342.823 2.646 0 50 EFAA COc1cccc(C[C@H]2CCCN2C(=O)c2c(Cl)cnn2C)c1 666867070 IOOQOYYTOLOBLV-CYBMUJFWSA-N 333.819 2.929 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 189687862 BATHIYWYWNBIGE-RDJZCZTQSA-N 346.406 2.988 0 50 EFAA CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 191908231 UUIKDZFHEFZGLO-OAHLLOKOSA-N 336.476 2.607 0 50 EFAA CCc1nc2c(s1)[C@H](N(C)C(=O)Cn1ccc(C)cc1=O)CCC2 194857940 ZUERFZYYVAAPGH-CQSZACIVSA-N 345.468 2.712 0 50 EFAA O=C(CCNc1cc(C(=O)N2CCCC2)ccn1)Nc1ccccc1 1158124060 SBYNGHNTLFNUGJ-UHFFFAOYSA-N 338.411 2.758 0 50 EFAA c1ccc(Cc2noc(CCNC3CSCCSC3)n2)cc1 1506420240 ZFOFMZGFNMOQEP-UHFFFAOYSA-N 335.498 2.641 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)nc(O)n1 1506402351 QMRWMHZIYWYCFZ-KRWDZBQOSA-N 341.411 2.594 0 50 EFAA CCn1ncc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 1506414051 MYNWKHDBOLAOTO-LBPRGKRZSA-N 346.818 2.856 0 50 EFAA O=C(c1ccnc(NC[C@@H](CO)Cc2ccco2)c1)N1CCCCC1 1704338816 ZVECXOYJYNIEDR-HNNXBMFYSA-N 343.427 2.564 0 50 EFAA COc1cc(-c2onc(NCC[C@@H](C)CO)c2C(=O)O)ccc1F 1704336906 LQNVVZSRXNXRRM-SECBINFHSA-N 338.335 2.618 0 50 EFAA COc1cc2nc(NCCNC(=O)C(C)C)cc(C)c2cc1OC 1704351093 NRKXTLIVSZQCAB-UHFFFAOYSA-N 331.416 2.745 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc4cc(C)oc34)C[C@@H]2O)on1 1704351117 NWLJZEALAZPGFJ-PBHICJAKSA-N 340.379 2.713 0 50 EFAA Cc1nccc(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)n1 1775981370 LKRGAFWOVVVOIR-NSHDSACASA-N 334.383 2.578 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2ccc(O)c(OC(F)(F)F)c2)cn1 1772708212 APJJPZSMZOFYFL-UHFFFAOYSA-N 348.302 2.724 0 50 EFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 5060839 UNZNCWIAQRYJAL-LLVKDONJSA-N 345.786 2.735 0 50 EFAA CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 5057459 PCRUZHUOFUNJNL-SNVBAGLBSA-N 348.453 2.642 0 50 EFAA CCCCN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12437468 FWUUXKWOPIVUCE-INIZCTEOSA-N 334.435 2.865 0 50 EFAA CCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 16552389 XURNHPKMGOTOJE-UHFFFAOYSA-N 340.445 2.608 0 50 EFAA CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1 17952350 OMJRHSWBDCFQGM-JTQLQIEISA-N 338.820 2.636 0 50 EFAA O=C(NCc1cncnc1)c1cc2cc(Br)ccc2o1 1857530864 BSHBRZRPVRJQOH-UHFFFAOYSA-N 332.157 2.915 0 50 EFAA Cc1nnc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)s1 1857701859 SILKGIUUUXTODF-UHFFFAOYSA-N 339.468 2.848 0 50 EFAA COC[C@H]1CCCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1 113295050 VJQOPYVJXSQESK-AWEZNQCLSA-N 334.441 2.590 0 50 EFAA Cc1cccc(C(=O)O)c1NC(=O)C1CCN(C(=O)C(C)C)CC1 323993821 CXKXHUVMGMBLPZ-UHFFFAOYSA-N 332.400 2.526 0 50 EFAA CC(=O)N[C@H](CC(=O)NCC1C[C@H](C)O[C@@H](C)C1)c1cccs1 330523888 TZQWVEWAVJUCLT-SLEUVZQESA-N 338.473 2.635 0 50 EFAA Cc1oc(C(C)C)nc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643887229 JZFOLWSRWQHZHY-CQSZACIVSA-N 343.431 2.940 0 50 EFAA CCCOc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 644120193 RWPFJIUICWPGDR-SJORKVTESA-N 343.427 2.730 0 50 EFAA C[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1ccc(Br)s1 136151682 RHGOQAFQGKXKAY-IUCAKERBSA-N 346.246 2.937 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1OCCc2ccccc21 261920909 ROMAAOFCMIAYHY-ORQFMDKSSA-N 329.396 2.545 0 50 EFAA CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)Cc1cccc(O)n1 933394784 XCPFXBLEABBIJW-OAHLLOKOSA-N 345.468 2.817 0 50 EFAA Cc1ccccc1-c1nnsc1C(=O)N1CC[C@@]2(CCOC2)C1 934531301 RSIXRSSRQKUOBH-QGZVFWFLSA-N 329.425 2.766 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3c(c2)CCCC3)C1 952826041 OJEDNFNHFNQNSQ-IAGOWNOFSA-N 325.412 2.891 0 50 EFAA COCCn1c(-c2cc(C)cc(C)n2)nnc1N1C[C@H]2CC[C@H]1C2 1875276601 HMMAOEOOSZDFKE-GJZGRUSLSA-N 327.432 2.592 0 50 EFAA COc1cc(Br)cc(N[C@@H](C)C2(O)CCOCC2)c1 1875285191 GELPMECFUDOVQS-JTQLQIEISA-N 330.222 2.800 0 50 EFAA C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1csc(C(C)(C)C)n1 1875285188 GDGZXLNZGFRHBJ-VXGBXAGGSA-N 345.534 2.515 0 50 EFAA COc1ccc(-c2noc(N3CCCC4(CCNCC4)C3)n2)cc1 1875266175 ODIJFBMBZDEUMB-UHFFFAOYSA-N 328.416 2.715 0 50 EFAA O=S(=O)(Nc1cnn2c1CCCC2)c1cccc(OC(F)F)c1 1875280904 FYOMDKXBEGUOJM-UHFFFAOYSA-N 343.355 2.622 0 50 EFAA CC1(C)OC[C@@H](CCNC(=O)c2cc(C(F)(F)F)nn2C2CC2)O1 1875310800 CTEDRTPEVKGVDY-SNVBAGLBSA-N 347.337 2.508 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2NCc2ccc(-n3ccnc3)cc2)cnn1C 886075102 BILSDGSIPYAISQ-RBUKOAKNSA-N 337.427 2.534 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2c(C)nc4ccccn24)C3)n1 888097382 HRDPQFUVZGNTBC-KXBFYZLASA-N 337.427 2.888 0 50 EFAA O=C1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3o2)N1 888093774 PXXOVTZTXHCQTO-JKSUJKDBSA-N 349.390 2.506 0 50 EFAA Cc1cccc(-c2n[nH]cc2CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1 888078015 BCROIRUISDZODH-BEFAXECRSA-N 337.427 2.976 0 50 EFAA COc1nccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1F 891860776 IHDXIFBVZSUFLO-ZDUSSCGKSA-N 337.439 2.602 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)Nc1nccnc1-n1cccn1)CCC2 1776005726 GDOLFHDODSVVGR-OAHLLOKOSA-N 349.394 2.730 0 50 EFAA O=C(c1cc(Br)co1)N1CCCC[C@H]1c1ncon1 331519194 UIMJRUNDHUIHGZ-VIFPVBQESA-N 326.150 2.793 0 50 EFAA CCN(C(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2)c1ccccc1 459975 DTYANKZKMZCOQN-KXBFYZLASA-N 331.412 2.930 0 50 EFAA biogenic Cc1cc(C(=O)NC[C@@H](N)c2ccccc2)c(C)n1-c1cccnc1 2325745589 KFAZTPPNEUDQOR-LJQANCHMSA-N 334.423 2.919 0 50 EFAA C[C@H](NC(=O)c1ccc2c(=O)ccoc2c1)[C@H](O)Cc1ccccc1 2325749114 QGSZSDZPJATURE-SCLBCKFNSA-N 337.375 2.515 0 50 EFAA O=C(O)c1csc([C@H]2CCCN(Cc3cccn4nccc34)C2)n1 2325773320 JXURNWJOOKEKEZ-ZDUSSCGKSA-N 342.424 2.869 0 50 EFAA NCc1ccc2nc(C(=O)Nc3cccc(Br)c3)cn2c1 2325851604 DNIVOTIGSMHGCJ-UHFFFAOYSA-N 345.200 2.808 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(F)c1 136416 RIMKEDLDMCEVBV-UHFFFAOYSA-N 328.343 2.550 0 50 EFAA CCN(CC)CCn1c2ccccc2n2c(C(=O)OC)c(C)nc12 305213 HAZPCDUSAYTIAN-UHFFFAOYSA-N 328.416 2.726 0 50 EFAA O=C(CCn1nnc2ccccc21)OCC(=O)c1ccc(Cl)cc1 309558 BOFGSSWFXBHJFF-UHFFFAOYSA-N 343.770 2.901 0 50 EFAA CN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O 555095 IPJNOVSANLGMHE-UHFFFAOYSA-N 336.457 2.703 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)s1 1074438 OGUUYHAMXIHDPR-CQSZACIVSA-N 325.748 2.953 0 50 EFAA O=C(c1ccc(-c2cncc3nc[nH]c23)cc1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 2356140152 WJIIDDDBNRBSTL-ZSHCYNCHSA-N 348.406 2.753 0 50 EFAA CC(C)[C@@H]1C=CCN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356156741 OICZTNQMTCFZJM-HNNXBMFYSA-N 346.496 2.936 0 50 EFAA O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 3618517 GDLCPBKSWGLXRT-CXAGYDPISA-N 343.404 2.629 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(C)cc1C 6730891 CGZVJDUKTNWRQH-GFCCVEGCSA-N 334.445 2.632 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc2ccccn2n1)C(C)C 55120114 FPEIEYYNCPRTEB-UHFFFAOYSA-N 325.416 2.735 0 50 EFAA O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc[n+]2[O-])CC1 133067380 PTHACFGTJRWEJT-UHFFFAOYSA-N 344.798 2.709 0 50 EFAA NC(=O)c1cccc(NC(=O)NCC2C3CC4CC(C3)CC2C4)c1 343158022 OFYRXFGVIZMXNC-UHFFFAOYSA-N 327.428 2.979 0 50 EFAA c1ccc(CCc2noc(-c3ccc(N4CCOCC4)nc3)n2)cc1 20203456 MEJPAVNCKTXBSZ-UHFFFAOYSA-N 336.395 2.753 0 50 EFAA COc1ccc(C=O)cc1CSc1n[nH]c(-c2ccccn2)n1 117113950 HMQQTPNRWLIYKL-UHFFFAOYSA-N 326.381 2.980 0 50 EFAA CC[C@@H]1CN(CCn2cccn2)CCN1CCO[C@H]1CCCC[C@H]1C 247995245 AXRNKNGGPIADHV-AQNXPRMDSA-N 348.535 2.875 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)NCC1CCCCC1 247929568 JMKLDANRIRMMMQ-ATZDWAIDSA-N 349.519 2.547 0 50 EFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1c[nH]cn1 67588856 HPAHVMKPFOUNTH-UHFFFAOYSA-N 333.399 2.794 0 50 EFAA Cc1[nH]cnc1C(=O)NCc1cccnc1N1CCCCCCC1 67714359 ZMLQQPUNTKFYIF-UHFFFAOYSA-N 327.432 2.814 0 50 EFAA O=C(COCc1ccccc1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348241063 JAVMFDZWLGLJAB-YJBOKZPZSA-N 347.361 2.816 0 50 EFAA C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]1c1cnn(C)c1 251983851 GOUQPUUFFZPNMU-YJBOKZPZSA-N 326.444 2.777 0 50 EFAA Cc1cccc(OCCNCCn2ncc3ccccc3c2=O)c1C 65373728 LKBSFDMWVIWPCC-UHFFFAOYSA-N 337.423 2.682 0 50 EFAA CCc1ccnc(CNC(=O)NC[C@H](O)c2cc(C)cc(C)c2)c1 252491280 LKPJSWBSLMVWNL-SFHVURJKSA-N 327.428 2.794 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1ccccc1 252444203 QWBSDTXCIGMGIK-OALUTQOASA-N 349.434 2.944 0 50 EFAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 462628 ISEULLNANRPXHC-UHFFFAOYSA-N 343.335 2.718 0 50 EFAA CNC(=O)c1cccc(CCC(=O)Nc2ccc(COC)cc2)c1 252507497 WNDVSJGQHBBWRJ-UHFFFAOYSA-N 326.396 2.764 0 50 EFAA CCc1nc(CCn2ccnc2-c2cnc(N3CCCC3)s2)no1 77386866 MAOSEJFNTFYYJQ-UHFFFAOYSA-N 344.444 2.795 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)N1CC[C@H](Oc3ccccn3)C1)O2 330008303 GNXJFOXRNHNGMW-FUHWJXTLSA-N 338.407 2.764 0 50 EFAA O=S(=O)(c1ccc(CN2C[C@@H]3CCCCC[C@H]32)o1)N1CCCC1 230173237 IGKYIIYZMXGVMI-GOEBONIOSA-N 338.473 2.829 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(c2nccc(C(F)(F)F)n2)C1 253395645 FPWQMHJORRZZPZ-NWDGAFQWSA-N 327.281 2.947 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)CCCc3sccc3C)CCO2)o1 328608481 AOMLGKXDYCKCMT-ZDUSSCGKSA-N 335.429 2.671 0 50 EFAA CCOc1ccc(NC(=O)N2CCCC[C@H]2c2ccnn2C)cn1 253428807 RHZQOOHTCVYCBL-HNNXBMFYSA-N 329.404 2.973 0 50 EFAA O=C(CCOc1ccccc1)N1CCCN(Cc2ccncc2)CC1 77380006 ZKQRWVOFNQZIRI-UHFFFAOYSA-N 339.439 2.585 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 332323577 SCQXTMNYFSUAEE-ONIAQPFYSA-N 344.455 2.892 0 50 EFAA CCOc1ccc([C@@H](C)NC(=O)N2CC(C(C)(C)O)C2)cc1OC 332498590 VBZOYSSQVSHJQH-GFCCVEGCSA-N 336.432 2.567 0 50 EFAA O=S(=O)(NCC1(O)CCCC1)c1ccccc1-c1ccccc1 158333340 KQJGMTPIVQWKMV-UHFFFAOYSA-N 331.437 2.937 0 50 EFAA O=C(N[C@@H]1CCNC1)c1cn(-c2ccccc2)nc1-c1cccs1 127206471 IGDPBSQUTIGQLK-CYBMUJFWSA-N 338.436 2.693 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F 156926187 ONPAYHYTESTRIW-DZGCQCFKSA-N 331.395 2.833 0 50 EFAA COc1ccc(CNC(=O)c2c[nH]c(C)cc2=O)c(C(F)(F)F)c1 172744492 IMWRGDLYYYXJOB-UHFFFAOYSA-N 340.301 2.641 0 50 EFAA O=C(O)c1cnn(C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 263102463 FODGLPAKNPXUFQ-UHFFFAOYSA-N 339.395 2.547 0 50 EFAA C/C=C(\C)CN1CCOc2ccc(CN3CCC(O)CC3)cc2C1 14995753 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CC(C)(C)[C@@H](NC(=O)c1ccc(C(F)F)c(F)c1)c1nc(=O)o[nH]1 823653210 XECAGBQJNOYIMB-JTQLQIEISA-N 343.305 2.957 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)Nc1ccnc(N(C)C)c1 932173580 ZNGHLQIFRKFLDS-GFCCVEGCSA-N 339.399 2.522 0 50 EFAA Oc1cc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)nc(C2CC2)n1 1262306658 QIMAKBDEZGMXNQ-IBGZPJMESA-N 347.422 2.930 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)Nc1nnn(C)c1C(F)F 934812069 NFPRNDFOTSWZEI-SECBINFHSA-N 337.330 2.568 0 50 EFAA O=C(NCc1cccnc1)c1nnn(-c2ccccc2)c1C(F)(F)F 1875258070 WKSMVMTUKDCZCK-UHFFFAOYSA-N 347.300 2.611 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1 1875286945 OEYBREZMLIWQOZ-SJLPKXTDSA-N 337.427 2.772 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cn2cncn2)c1 1875280488 NRMGQQPBNUQSCU-UHFFFAOYSA-N 334.383 2.555 0 50 EFAA COC(=O)/C=C/CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 1875312050 RIPKKFCCMZQVKL-UTGRISEESA-N 331.412 2.922 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3F)CCC2)CC1 1875363401 GRKLOFAUAOOFIO-UHFFFAOYSA-N 348.393 2.885 0 50 EFAA CC(C)c1cc(CN2CCC3(CC2)C(=O)NCc2ccccc23)[nH]n1 1875306926 PYCQBKMXCGAWED-UHFFFAOYSA-N 338.455 2.697 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCc3ncsc3C2)cc1 1875373832 QBNPIPNWIDRSKG-ZDUSSCGKSA-N 341.436 2.579 0 50 EFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc2ccccc2c1 1875402465 HLOQDTZCCKENHG-NIKGAXFTSA-N 335.407 2.606 0 50 EFAA COc1cc(F)cc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1 1875404146 WTRWDABVZTVHCR-WDEREUQCSA-N 347.390 2.520 0 50 EFAA COc1ccc(NC(=O)N2CCN(c3ccncc3)C[C@H]2C)cc1F 887240352 BUPWMRKPLILLGK-CYBMUJFWSA-N 344.390 2.972 0 50 EFAA C[C@@H](CNc1nc2cc(Br)ccc2o1)c1nncn1C 893402297 PHAVXIFJNHBSOR-QMMMGPOBSA-N 336.193 2.934 0 50 EFAA CCc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)C[C@H]2CCOC2)o1 110633265 SDLDKRRPOVLNQG-DZKIICNBSA-N 341.473 2.981 0 50 EFAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Cl)c1 379128 JVQYPCGEPKNCDU-UHFFFAOYSA-N 344.864 2.555 0 50 EFAA O=C(CCc1ccccc1)Nc1cccc(C(=O)N2CCOCC2)c1 617421 KPFSKPZNWUPTHO-UHFFFAOYSA-N 338.407 2.730 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1CC 6729048 JDCGZVJXMCESFN-UHFFFAOYSA-N 326.372 2.869 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1[nH]nc2c1C[C@H](C)CC2 55326996 IQUOOSQCHASEPZ-GFCCVEGCSA-N 345.447 2.778 0 50 EFAA O=C(Nc1ccnn1Cc1cccc(Cl)c1)N1CCC[C@@H]1CO 225424926 VEICFQHNPFIWSF-CQSZACIVSA-N 334.807 2.573 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc1 55374392 GWKOSVNUWISQIM-DLBZAZTESA-N 336.501 2.880 0 50 EFAA Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 246987277 ATFRFAHIRMBJTB-HKUYNNGSSA-N 343.471 2.922 0 50 EFAA COc1ccc(CNc2nc(CCN)nc3ccccc23)c(OC)c1 55413583 CJJUMEJJRXUIJX-UHFFFAOYSA-N 338.411 2.760 0 50 EFAA CCCn1ncc([C@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C 65417546 XPKULMWHXSXCMJ-CQSZACIVSA-N 337.427 2.709 0 50 EFAA COC(=O)c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nn1 117327681 FFQFXZCWYVVVGO-UHFFFAOYSA-N 343.227 2.584 0 50 EFAA C[C@@H]1[C@@H](NC[C@@H](O)COCc2ccc3c(c2)OCO3)CCC[C@H]1C 248114810 SAMLCNURJHEJOI-WTTBNOFXSA-N 335.444 2.707 0 50 EFAA CCOC(=O)c1cnc2c(cnn2C)c1Oc1ccc(OC)cc1 5871614 XMVCXQYXZTVXCH-UHFFFAOYSA-N 327.340 2.946 0 50 EFAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2ccsc2)o1 348929094 DPBCBWLLKOSFFI-JQWIXIFHSA-N 339.396 2.520 0 50 EFAA COc1cc(OC)c(-c2nccn2CCc2ncc[nH]2)cc1OC 67490930 BASOQGHIJXKASI-UHFFFAOYSA-N 328.372 2.542 0 50 EFAA CCn1nc(C)c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1C 20538149 PKDNAMIDJPWLIP-IBGZPJMESA-N 348.535 2.721 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CC[C@@]4(CCCNC4)C3)c(C)c2c1 67691767 MJNMPOBVSQCPFJ-LJQANCHMSA-N 327.428 2.701 0 50 EFAA O=C(c1ccnn1C1CCCC1)N1CCNC[C@@H]1c1cccc(F)c1 423614749 QNNQYROLFDEFCU-GOSISDBHSA-N 342.418 2.924 0 50 EFAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCCC[C@H]1CN1CCOCC1 252477724 UPSWDLDXKNWPOF-IPMKNSEASA-N 346.446 2.643 0 50 EFAA CC(C)N1CC[C@@H](N[C@H](C)CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 252486296 HZPMPFBXFMUPIN-JGFGOQIWSA-N 341.858 2.856 0 50 EFAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 328586914 IAHQYDFSTIXSRK-KRWDZBQOSA-N 346.312 2.947 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3coc4ccccc34)C2)n1 328645592 SDMRGKJUWVRSFW-OAHLLOKOSA-N 338.411 2.826 0 50 EFAA COC[C@@H]1[C@@H](NC(=O)c2cc3c(Cl)cccc3[nH]2)[C@@H]2CCO[C@@H]21 219482829 KRNYJCBRWUIHSF-PYQPOECBSA-N 334.803 2.601 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)no1 253433451 XBUULEPQINJWFT-DIFFPNOSSA-N 347.371 2.655 0 50 EFAA CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc2c(c1)CCC2 434978495 OEEUTHUXGKFIIG-MOPGFXCFSA-N 327.472 2.672 0 50 EFAA CCCc1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)o1 216280469 LPRAGIUCFVBHLV-UHFFFAOYSA-N 333.476 2.538 0 50 EFAA c1ccc2ncc(-n3ccnc3-c3cc4n(n3)CCCNC4)cc2c1 72481124 ZTYKHJANASNISD-UHFFFAOYSA-N 330.395 2.777 0 50 EFAA O[C@@H](CNc1cc(-c2ccccc2)nc2ccnn12)c1cccnc1 72162702 ISHQQZJTODRSMO-KRWDZBQOSA-N 331.379 2.937 0 50 EFAA O=C(c1ccnn1-c1ccccc1)N1CC[C@H](O)c2ccccc2C1 370033043 NVFOCWNZLMVWDM-IBGZPJMESA-N 333.391 2.952 0 50 EFAA CC(C)[C@@H](C(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1 77338485 VDZJQUGQGMFBTJ-MRXNPFEDSA-N 330.428 2.869 0 50 EFAA CC(C)NC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72164064 OWGVTBCMNCMCBL-BMGDILEWSA-N 349.425 2.945 0 50 EFAA COCCCn1nccc1CN[C@@H]1CCN(C(C)=O)c2ccccc21 374745589 XFBGAXLUNNQAAG-GOSISDBHSA-N 342.443 2.507 0 50 EFAA CC(C)[C@]1(C(=O)O)CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 262799917 AHWDVENZCJFUIH-APWZRJJASA-N 331.412 2.763 0 50 EFAA O=C(O)Cc1ccc(CN2CCCC[C@@H]2CCn2cccn2)cc1 77520424 SSYKMWCBBMQSBA-GOSISDBHSA-N 327.428 2.955 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 377965226 JTPCFHAAZRZZJR-IBGZPJMESA-N 325.412 2.565 0 50 EFAA NC[C@H]1CCCN1C(=O)Cc1ccc(Cl)cc1Br 238039040 RZKWHOSOCYVQJL-LLVKDONJSA-N 331.641 2.595 0 50 EFAA CCN1CCOC[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 378359735 ZEMMVQONNCASDR-MRXNPFEDSA-N 337.851 2.599 0 50 EFAA COc1ccc([C@H](NC(=O)[C@@H]2CCc3ccccc32)C(=O)O)cc1F 263025116 MKPSKIJJDYBQPH-PBHICJAKSA-N 343.354 2.806 0 50 EFAA O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225416349 JBQOEXPOWCLIGW-CABCVRRESA-N 342.826 2.690 0 50 EFAA biogenic CC(=O)c1ccccc1C(=O)N1CCCN(Cc2ccccn2)CC1 221420733 KJEUWMAATLSCPO-UHFFFAOYSA-N 337.423 2.632 0 50 EFAA C[C@@H]1C(=O)N(c2cc3c(cc2Cl)OCCCO3)C(=O)N1C1CC1 285977575 MQBIEDXWSSJFCS-SECBINFHSA-N 336.775 2.821 0 50 EFAA Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cn1 175827495 BYNKFPJQVVRIJM-AWEZNQCLSA-N 347.850 2.542 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H](O)c1cccc(Cl)c1 222893777 BVDORMBMMDOQEX-INIZCTEOSA-N 334.803 2.899 0 50 EFAA O=C(NCc1csc(Cc2ccccc2)n1)N1CCC[C@H](CO)C1 426421903 OXHDRPKHGCMJRK-HNNXBMFYSA-N 345.468 2.648 0 50 EFAA CCc1noc(CN(CC)C(=O)c2cccc(-c3nccn3C)c2)n1 426412863 ZBQZVEWYPNYDEW-UHFFFAOYSA-N 339.399 2.695 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C)Sc2ccccc21 161623243 IQDKRSVPZXXBLR-LLVKDONJSA-N 331.441 2.943 0 50 EFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N(C)Cc1noc(C)n1 95367457 SVRZPUGRDWVJNT-CQSZACIVSA-N 341.415 2.900 0 50 EFAA O=C1OCCCN1CCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 426501876 PCZLVLGFTFOONL-HXUWFJFHSA-N 342.439 2.847 0 50 EFAA O=C(CN1CC2(CCCC2)CC1=O)N1CC[C@@H](c2ccccc2F)C1 95503379 LIBKEABRLMIMJQ-OAHLLOKOSA-N 344.430 2.934 0 50 EFAA C[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)C1 239173602 OGJYATUCDIRVEZ-SXKNGAHQSA-N 338.201 2.594 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCN(C3CCSCC3)CC2)on1 91604661 IYAWBVKABHRZFQ-UHFFFAOYSA-N 337.489 2.527 0 50 EFAA CN(CCC(=O)Nc1nccs1)CCc1nc2ccccc2[nH]1 244882562 XUCFZCWODPNFMV-UHFFFAOYSA-N 329.429 2.523 0 50 EFAA CC1(C)CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 293865056 CHGDVITUWMRDGN-IUODEOHRSA-N 341.498 2.873 0 50 EFAA CC(C)CCn1cc(C(=O)Nc2ccnn2-c2cccc(F)c2)nn1 183900714 DFXMJKUJXQVEQS-UHFFFAOYSA-N 342.378 2.901 0 50 EFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCCC2 244828509 TXIYVWLDSXONLM-JKIFEVAISA-N 325.412 2.531 0 50 EFAA O=C(NCc1ccccc1Br)N1CCC[C@H](CO)CC1 297232945 NJDCOZUATYLGJZ-LBPRGKRZSA-N 341.249 2.753 0 50 EFAA CN(Cc1nccn1CC(F)(F)F)[C@H]1CCO[C@@H]1c1cccnc1 299744940 VRFKJYBCMNVQOA-DZGCQCFKSA-N 340.349 2.802 0 50 EFAA CCc1cc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cs1 299773787 DXFGHNVEHLUONQ-HNNXBMFYSA-N 343.452 2.627 0 50 EFAA CC(=O)N1CCO[C@@H](CNc2cc(C)c3ccc(C)c(C)c3n2)C1 820570183 OJTYIBCTMXRBFI-INIZCTEOSA-N 327.428 2.819 0 50 EFAA O=C(c1ccc[nH]1)N1CCOC2(CCN(Cc3ccsc3)CC2)C1 827969790 QIBPDSWSHKVHMF-UHFFFAOYSA-N 345.468 2.583 0 50 EFAA CCOC(=O)N1CCC(N2CCCN(c3ccccc3)CC2)CC1 670453836 AGSKYOIQOJVNBV-UHFFFAOYSA-N 331.460 2.820 0 50 EFAA Cc1nc2ccc(CC(=O)NCc3cc(CC(C)C)no3)cc2[nH]1 670467483 AHHXRGPJKBDCRM-UHFFFAOYSA-N 326.400 2.917 0 50 EFAA O=C(CC1(O)CCCCC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 408044276 TYVHUEKAGPPJEI-XJKSGUPXSA-N 339.382 2.684 0 50 EFAA Cn1cc(-c2ncccc2C(=O)N2CCOC3(CCCCC3)C2)cn1 408517123 NGYKFCMUULICIX-UHFFFAOYSA-N 340.427 2.657 0 50 EFAA O=C1CC[C@](C(=O)Nc2ccc3c(c2)CCC3)(c2ccccc2)CN1 408517006 KQHZAXZVLOUCHR-OAQYLSRUSA-N 334.419 2.962 0 50 EFAA C[C@H](CNC(=O)c1cccc(Br)c1Cl)[S@@](C)=O 166863647 DYKHLFPSDMMCHZ-GJEGPGMTSA-N 338.654 2.599 0 50 EFAA Cc1noc(C)c1NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F 269716370 UBLIZHUKVVSTIU-UHFFFAOYSA-N 331.298 2.708 0 50 EFAA c1ccc(CC[C@H]2CN(Cc3nnc4n3CCCCC4)CCO2)cc1 273259223 BTJLNMQTZRQIAL-SFHVURJKSA-N 340.471 2.838 0 50 EFAA Cn1cc(CCNC(=O)[C@@H]2CCc3cn[nH]c3C2)c2ccc(F)cc21 274665811 HHJQQZCFDPQIMY-GFCCVEGCSA-N 340.402 2.504 0 50 EFAA COc1ccc(CC(=O)Nc2cccc3c2OCC[C@H]3O)cc1F 185387555 WVSPTLIOWPHLEB-OAHLLOKOSA-N 331.343 2.831 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 277104635 XELATYGWQKGMBV-NWDGAFQWSA-N 333.354 2.603 0 50 EFAA O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 170613759 CZJPIHDQTUHOCC-OAHLLOKOSA-N 349.346 2.564 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3cccc(C(F)(F)F)n3)CC2)O1 1775958276 NXYARMMMBKBMAE-NWDGAFQWSA-N 344.333 2.949 0 50 EFAA Cc1cccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1C 188798307 WGXPIBCVCKIMBI-NVXWUHKLSA-N 347.503 2.851 0 50 EFAA CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)cn1 188810161 VEMSRXORGZQMMR-OAHLLOKOSA-N 344.390 2.529 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC(c2ccncn2)CC1 668237470 PJIXPGGZQXMNDV-FUHWJXTLSA-N 341.459 2.557 0 50 EFAA CCn1nccc1N1CCC[C@H](NC(=O)Nc2cccc(C)c2)C1=O 191213220 YTHCMIPRABHGMR-HNNXBMFYSA-N 341.415 2.529 0 50 EFAA COc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C)c1OC(F)F 195548288 IEZRRDFGHIPARY-KGLIPLIRSA-N 326.387 2.965 0 50 EFAA COc1cc(C(=O)N2CC[C@@](C(=O)O)(C(C)C)C2)c2ccccc2n1 659153138 XMFMVNPRRHGXRC-IBGZPJMESA-N 342.395 2.816 0 50 EFAA CC(C)NC(=O)Nc1cc(Cl)ncc1I 1202516182 FHJKZWBXSJYIEL-UHFFFAOYSA-N 339.564 2.870 0 50 EFAA CC1=CC2(CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)OCC1 1704345000 SPFHFFWDDMDFKM-HNNXBMFYSA-N 333.428 2.590 0 50 EFAA O=C(c1cccc2cccnc12)N1CCCN([C@@H]2CCSC2)CC1 1800409990 MXKWKQBWKHLNSB-MRXNPFEDSA-N 341.480 2.888 0 50 EFAA O=C(C1CC1)N1CCCN(C2CCN(c3ccccc3F)CC2)CC1 1772805661 OLLAYPIPWZUURW-UHFFFAOYSA-N 345.462 2.739 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](C4(O)CC4)C3)cc2)n1 1772813265 YYEYVRVAIPWRRA-QGZVFWFLSA-N 339.439 2.866 0 50 EFAA CCc1cc(CNC(=O)c2coc(COc3cccc(F)c3)n2)on1 12093893 DFUHVGHEWASGIO-UHFFFAOYSA-N 345.330 2.873 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ccccn1 12319116 VXPQGMPRZQWGQN-LJQANCHMSA-N 347.422 2.870 0 50 EFAA c1c[nH]c(CN2CCC[C@H](Cn3cc(C4CCCCC4)nn3)C2)n1 19145466 CELDYGKDIZDARN-HNNXBMFYSA-N 328.464 2.961 0 50 EFAA O[C@@H]1[C@H](O)CC[C@H]1n1ccnc1-c1nc(-c2ccccc2)cs1 1857681819 BNESLTRSJSVORW-KFWWJZLASA-N 327.409 2.730 0 50 EFAA CCOc1cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)c(Cl)cc1OC 1857681899 PTYCRJJMYCIKCR-IMRBUKKESA-N 325.836 2.950 0 50 EFAA CCn1ccc2c(CN3CCC4(CC3)CC(=O)NCCO4)cccc21 1857705573 NBURCILWTZYXKR-UHFFFAOYSA-N 341.455 2.532 0 50 EFAA CCc1ccccc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857721249 GPECSLNYLLORQV-SQNIBIBYSA-N 341.455 2.509 0 50 EFAA Nc1ccc2c(N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)ncnc2n1 328768756 BUQCLCHPKCFQAO-LLVKDONJSA-N 337.349 3.166 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 124308942 VIAJWBKFKKAMNS-VHSXEESVSA-N 338.335 2.539 0 50 EFAA COc1cc(CCNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)ccc1F 127833281 ZKUZCRBHBYQHHQ-GOEBONIOSA-N 336.407 2.634 0 50 EFAA O=C(O)CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 238160265 STVLYTYDSKYGAB-GFCCVEGCSA-N 331.199 2.871 0 50 EFAA COc1cncc(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)n1 456832668 VDYJUKKWHDHLKN-UHFFFAOYSA-N 347.365 2.858 0 50 EFAA C[C@@H]1CCN(C(=O)c2cncc(F)c2)CCN1Cc1ccccc1 132497516 WGSNHQHOVPXXGQ-OAHLLOKOSA-N 327.403 2.957 0 50 EFAA O=C(COc1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 247735375 KBJROEMMGXTGOJ-WMZOPIPTSA-N 346.446 2.927 0 50 EFAA CC(C)[C@@]1(O)CN(C2CCN(C(=O)c3cccs3)CC2)C[C@@H]1C 248194360 NUHQLPRUDKUWKB-KSSFIOAISA-N 336.501 2.692 0 50 EFAA CNC(=O)[C@@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 135247595 SHGAOVCTGXBYPL-INIZCTEOSA-N 343.814 2.753 0 50 EFAA O=C1COc2cc(NC(=O)[C@H]3CCCCN3C3CCCC3)ccc2N1 252505148 VPSCAFLRRKQLIS-MRXNPFEDSA-N 343.427 2.753 0 50 EFAA CS(=O)(=O)c1ccccc1N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367434487 ICDDIAOTGKKLPE-SJORKVTESA-N 345.464 2.693 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](N)C2)c2cc(Br)ccc2n1 157837807 LIGHPAFWQJGQIB-LBPRGKRZSA-N 348.244 2.869 0 50 EFAA CCn1nc(C)c(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c1C 264743234 JZUPKSJVXCSFLQ-OAHLLOKOSA-N 344.463 2.712 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)c1nncn1C 811523430 XGFQEKOAZSLFKY-OAHLLOKOSA-N 328.416 2.612 0 50 EFAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCn2c(nnc2C2CC2)C1 932570452 OWBRTHQTMBKZFV-UHFFFAOYSA-N 347.422 2.730 0 50 EFAA COc1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)ncn1 934368515 DJXRUJZJOVQHLY-HXUWFJFHSA-N 337.423 2.996 0 50 EFAA O=C(NCc1ncccc1F)[C@@H]1Cc2ccccc2O[C@H]1C(F)F 935038270 FMQPJLNTDFDUIF-IAQYHMDHSA-N 336.313 2.722 0 50 EFAA C[C@]1(C(=O)NCCc2cnc(C3CC3)nc2)CCOc2ccccc21 935087103 PWRUEHHPWSXJJP-FQEVSTJZSA-N 337.423 2.753 0 50 EFAA C[C@H](OC(=O)C1(n2cnnn2)CC1)c1cc(Cl)ccc1Cl 849996691 MCVPJSBKDVDZTM-QMMMGPOBSA-N 327.171 2.773 0 50 EFAA COCCNc1nc(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cs1 1139402085 QDRKZOLZKVLUQY-LSDHHAIUSA-N 337.489 2.829 0 50 EFAA CCn1nnc2cc(C(=O)Nc3cc4c(C)nn(C)c4nc3C)ccc21 1875296033 WEYGBMCLUICVDX-UHFFFAOYSA-N 349.398 2.602 0 50 EFAA C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1C1CC1)c1cccc2cccnc12 1875278383 UXWIBBBEPHWPOW-YLQAJVPDSA-N 325.412 2.851 0 50 EFAA CCCCN1C(=O)[C@@]2(NC3(CCCCC3)C(=O)N2C)c2ccccc21 1875253567 HKXNLYIIVLDAFT-HXUWFJFHSA-N 341.455 2.751 0 50 EFAA Cc1nc(-c2cccc(NC(=O)NC(C)(C)c3ccn(C)n3)c2)no1 1875277662 WXVBABIHHJBMII-UHFFFAOYSA-N 340.387 2.835 0 50 EFAA CN(C[C@@H](O)CF)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 1875281591 JDWQQXJROLDTED-IRXDYDNUSA-N 334.366 2.768 0 50 EFAA Fc1ccc(Cl)c2c1CN(Cc1cncc(-c3nn[nH]n3)c1)CC2 1875330866 GADRVERVESYTLH-UHFFFAOYSA-N 344.781 2.613 0 50 EFAA CN1CCN(c2cc(OC[C@H]3C[N@@]3CC3CC3)ccc2Cl)CC1 1875383836 BKGGYHXBCIGMGA-IVZQSRNASA-N 335.879 2.565 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Oc3cccnc3)cc2)cn1 1875385485 ULAASZSWGIKRLW-WAIKUNEKSA-N 336.395 2.871 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCCC2CCN(CC)CC2)cc1 1875374137 BTLQJDTYEGTQPI-UHFFFAOYSA-N 343.471 2.687 0 50 EFAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3n[nH]cc3n2)cc1 1875309908 UTXGBZJCPLDICN-LLVKDONJSA-N 337.383 2.739 0 50 EFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 888078690 MHIXEMBVJLDHLF-KRWDZBQOSA-N 348.410 2.530 0 50 EFAA 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2.569 0 50 EFAA CCc1nn2c(=O)cc(CN3CCC[C@@H]4CCCC[C@H]43)nc2s1 230040351 LUTYHOGMQZSNCY-GXTWGEPZSA-N 332.473 2.868 0 50 EFAA Cc1ccc2c(CCNC(=O)[C@H]3CC(c4ccncc4)=NO3)c[nH]c2c1 252500331 SSJRGDUHGWAKAN-LJQANCHMSA-N 348.406 2.723 0 50 EFAA CCc1c(C)nc(C)nc1N1CCCn2nc([C@H](O)C3CC3)cc2C1 219263531 KIBIXFMFMVUJGO-GOSISDBHSA-N 341.459 2.706 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@H](C(C)(C)C(=O)O)C3)cn12 325304466 AQWOMZSMYLMBLS-ZDUSSCGKSA-N 329.400 2.606 0 50 EFAA CN(C)C[C@@]1(O)CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 72165848 RSLHXHSTTCUXQG-MRXNPFEDSA-N 346.393 2.864 0 50 EFAA CCC(=O)N(CCOC)Cc1cc2ccc(OC)cc2nc1N(C)C 14988137 PFSNKGTYBRPWMC-UHFFFAOYSA-N 345.443 2.694 0 50 EFAA c1cn(CCOc2ccc(CN3CCCn4cncc4C3)cc2)cn1 72168191 XLRUKZNURRHJHM-UHFFFAOYSA-N 337.427 2.565 0 50 EFAA CC1=C(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)SCCO1 281174855 JDBJCFFKHWIDKC-FZMZJTMJSA-N 341.379 2.594 0 50 EFAA CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 332277799 XTGRNADIKSAKHS-AAEUAGOBSA-N 337.489 2.563 0 50 EFAA 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CC[C@@H](NC(=O)c1cccc(-n2cnnc2)n1)c1nc(C)c(C)s1 71762372 OFSUNXWLNHHYEK-GFCCVEGCSA-N 342.428 2.617 0 50 EFAA OCCO[C@H]1CCCN(Cc2csc(Nc3ccccc3)n2)C1 172300578 GXYJTEMHCLHVDC-INIZCTEOSA-N 333.457 2.860 0 50 EFAA OC[C@H](Cc1ccco1)Cn1ccnc1-c1ccc2c(c1)OCCO2 82096649 GTWDKAUQRZMPKX-CQSZACIVSA-N 340.379 2.766 0 50 EFAA Cc1cnccc1NCCNC(=O)CCC(=O)c1ccc(F)cc1 223304402 BZYOSHQHVJFUSO-UHFFFAOYSA-N 329.375 2.720 0 50 EFAA NCCOc1ccc(Cl)cc1C(=O)N(Cc1ccccn1)C1CC1 426578883 WMTBJBQPYXHGJA-UHFFFAOYSA-N 345.830 2.877 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)c2cnn3ccccc23)CC1 82137537 VGRYEOCLDGKXJW-UHFFFAOYSA-N 334.423 2.995 0 50 EFAA O=C1CCC[C@@H](CC(=O)N2CCOc3cc(Cl)c(Cl)cc32)N1 289023496 ODVPAVVMPFVOFB-VIFPVBQESA-N 343.210 2.778 0 50 EFAA Cc1nn(C)c(C(=O)N2CCC(OCc3ccccn3)CC2)c1Cl 426658488 PWZGIXQPGDCANM-UHFFFAOYSA-N 348.834 2.598 0 50 EFAA Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(-c2ccccc2)o1 426584013 LOSYJTUMHHQYEF-CQSZACIVSA-N 326.352 2.532 0 50 EFAA Cn1ccnc1CN1CCC(Cn2cc(-c3ccccc3)nn2)CC1 20906676 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O=C(NCc1sccc1Br)N1CCCC[C@H]1CCO 180499205 VZPBUTQZMGHSHS-JTQLQIEISA-N 347.278 2.957 0 50 EFAA C[C@H](c1ccncn1)N(C)Cc1cc(Cl)ccc1OCC(=O)O 244723852 MIROJLFEOKLNNZ-LLVKDONJSA-N 335.791 2.786 0 50 EFAA C[C@H]1CN(CCCCNc2ncc(Br)cn2)C[C@H](C)O1 267906459 DJVRVLCGTYLNDU-RYUDHWBXSA-N 343.269 2.540 0 50 EFAA Cn1c(C(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccc(F)cc1 299748990 IUFGYSQEUACEPM-UHFFFAOYSA-N 330.359 2.768 0 50 EFAA CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4[C@@H](O)CC(=O)[C@@]4(C)[C@@H](O)C[C@H]32)C1 257345880 MDAYVZVRLGMYGH-XPRBKAEESA-N 336.472 2.555 0 50 EFAA CC(=O)c1cc(CC(=O)N2CCc3[nH]nc(C(C)C)c3C2)cs1 32593260 KATPURLYTWCAFQ-UHFFFAOYSA-N 331.441 2.925 0 50 EFAA COc1ccc(NC(=O)c2cccc(F)c2OC)cc1C(=O)N(C)C 824519528 CSEMPVXDTJKZAJ-UHFFFAOYSA-N 346.358 2.797 0 50 EFAA CCCc1ncncc1C(=O)NCc1ccc2c(c1)OCCCO2 670449218 ZKWSOZCKODBUHH-UHFFFAOYSA-N 327.384 2.520 0 50 EFAA Cc1cc(CO)cc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 685940375 HYTKMMJXMMRESY-KXBFYZLASA-N 340.427 2.701 0 50 EFAA 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NC(=O)C1(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCC1 676673755 INVIUHOXCNWOES-UHFFFAOYSA-N 329.787 2.540 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 656847583 IHUNULHEWSGRGP-IYQDAUBNSA-N 338.162 2.799 0 50 EFAA CCn1ncc(NC(=O)CCCc2nc(-c3ccco3)no2)c1C 1506406435 IPVRVHBYWCDLFR-UHFFFAOYSA-N 329.360 2.816 0 50 EFAA CC(C)c1nc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cs1 1529105237 ZEIAOAWIVMJBGB-KGLIPLIRSA-N 331.441 2.649 0 50 EFAA Nc1ncc2c(n1)[C@]1(CCCN(c3ccc(C(F)(F)F)cn3)C1)CC2 1704345055 VAOSQSBJTHTFAQ-MRXNPFEDSA-N 349.360 2.957 0 50 EFAA CCCN(CCC)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 11098989 SXCBIXQDWRUJEO-OAHLLOKOSA-N 345.443 2.647 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@H](C(=O)c2ccccc2SC)C1 12442008 SJOFYRRVEUXZMJ-ZDUSSCGKSA-N 349.452 2.783 0 50 EFAA Cc1ncoc1C(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12744895 KRZNGRUNCKGQEV-OAHLLOKOSA-N 335.367 2.642 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCCc2ccccc21 13646631 ZXOZSFTYDITTBT-UHFFFAOYSA-N 344.436 2.960 0 50 EFAA O=C1CCN(Cc2ccccc2F)CCN1CCOc1ccccc1 15070648 IIQWWFBSFLVYLY-UHFFFAOYSA-N 342.414 2.939 0 50 EFAA COc1ccc(NC(=O)Cc2noc(-c3cccc(OC)c3)n2)cc1 16579077 BODOYMDGRRPELO-UHFFFAOYSA-N 339.351 2.935 0 50 EFAA CCc1noc(CN(C)c2ccc(-c3nc(C(C)C)no3)cn2)n1 19146867 OBSBUUNMPLAYSV-UHFFFAOYSA-N 328.376 2.837 0 50 EFAA CSc1ccc(Br)cc1C(=O)N1CCN(C)CC1 19881211 YQCOJZIOEAKJFA-UHFFFAOYSA-N 329.263 2.559 0 50 EFAA C[C@H]1CC(CNC(=O)NCc2nnc(C(C)(C)C)s2)C[C@H](C)O1 252499272 RYBYREIWRNLWAA-QWRGUYRKSA-N 340.493 2.838 0 50 EFAA COc1ccccc1COC1CCN(c2ncnc(N)c2Cl)CC1 225484264 JXDUTXJYDVNDHY-UHFFFAOYSA-N 348.834 2.906 0 50 EFAA CCN1CCN(c2ccccc2CNc2cccc(CO)c2)CC1 225601541 WCWGORHWBNHYNG-UHFFFAOYSA-N 325.456 2.933 0 50 EFAA O=C(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 238162276 BYCKTDCDWYSHFX-UHFFFAOYSA-N 346.377 2.756 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)c1csc(Cc2ccccc2F)n1 136525453 RVQQRNVRHMTQDR-AWEZNQCLSA-N 348.399 2.952 0 50 EFAA Cn1cc(CCNC(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 263838242 PKFIYHICNHQIRE-SFHVURJKSA-N 326.444 2.769 0 50 EFAA COc1ccccc1N1CCN(Cc2ccc(C(=O)O)cc2F)CC1 392893269 OQYAJMGDWUEKJK-UHFFFAOYSA-N 344.386 2.855 0 50 EFAA Cc1noc(C[C@@H]2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1 931038343 HLRZTSRGUGSXRI-AAEUAGOBSA-N 348.369 2.929 0 50 EFAA CC(C)c1noc([C@]23CCC[C@H]2CN(CC2(CC(=O)O)CC2)C3)n1 851709568 SMALOOAUTMVSCU-UGSOOPFHSA-N 333.432 2.801 0 50 EFAA CN(c1nc(-c2ccccn2)nc2sccc12)[C@@H](CN)C1CC1 872777740 NMMDPUMJVIFQBV-AWEZNQCLSA-N 325.441 2.927 0 50 EFAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1ncn2cccnc12 1875268388 PBHIRICAXGQKBH-UHFFFAOYSA-N 331.339 2.515 0 50 EFAA COC(=O)[C@@]1(CNC(=O)N[C@H](C)c2ccccc2C(C)C)CCOC1 1875311087 MLXWNJRQWSTVHM-AUUYWEPGSA-N 348.443 2.750 0 50 EFAA Cc1nc(-c2ccnc(NC(=O)c3cc4n(n3)[C@H](C)CCC4)c2)n[nH]1 1875341714 DQZWMZCRFAYOAN-SNVBAGLBSA-N 337.387 2.521 0 50 EFAA CO[C@@]1(c2nnc(-c3cnn(-c4cccc(C)c4)c3C)o2)CCOC1 886085519 IUAJLOGXCMAARA-SFHVURJKSA-N 340.383 2.801 0 50 EFAA CC(=O)NCc1cc(O[C@@H]2CCN(CCC3CCCC3)C2)ccn1 886072070 NLGHTIFOPWVUMF-LJQANCHMSA-N 331.460 2.751 0 50 EFAA CCO[C@]1(c2nnc(-c3ccn(-c4ccccc4F)n3)o2)CCOC1 886082182 HOIDNOBYXDKHBT-QGZVFWFLSA-N 344.346 2.714 0 50 EFAA C[C@H](N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)c1ccco1 888078528 ZLCANFRCBZDJSW-DXCKQFNASA-N 328.416 2.558 0 50 EFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2occc2Br)C1 644807823 GOYIRPXXJDAIFA-POYBYMJQSA-N 341.127 2.536 0 50 EFAA C[C@H](CC1(O)CCOCC1)Nc1cc(C(=O)OC(C)(C)C)ccn1 2325767455 XTDPPPUSLIQEOH-CYBMUJFWSA-N 336.432 2.769 0 50 EFAA O=C(c1cc([C@@H]2CCNC2)[nH]n1)N1CC[C@@H](c2cccc(Cl)c2)C1 2325788928 TXBFDRBDAYGCQX-ZIAGYGMSSA-N 344.846 2.770 0 50 EFAA CC(C)(O)[C@@H]1CCN1C(=O)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2325808551 AQGLDIMHIVPKFH-IRXDYDNUSA-N 330.472 2.659 0 50 EFAA O=C(O)[C@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12CCC2 2325844813 RJMONMRVOQBIPJ-GFCCVEGCSA-N 340.358 2.941 0 50 EFAA CSc1ncnc2ncn(CC(=O)Nc3ccc(C)c(C)c3)c12 171043 JVTXQYJWMNUVIC-UHFFFAOYSA-N 327.413 2.804 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1OC 184044 ORHCDRZKVXOLQH-UHFFFAOYSA-N 345.395 2.618 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Cl)c1Cl 460965 IXCZJWJGNHKQPR-NSHDSACASA-N 331.224 2.959 0 50 EFAA S=C(NNC(=S)NC1CCCC1)Nc1ccc(Cl)cc1 611897 ALGTULSVIPDMMG-UHFFFAOYSA-N 328.894 2.948 0 50 EFAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356162662 OCXFVLKKUAVSSS-HXUWFJFHSA-N 347.422 2.716 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(F)c(OC)c2)C1=O 2356167104 SEJKKSUUWJNDCW-LJQANCHMSA-N 348.418 2.842 0 50 EFAA C[C@@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H]2CCCC[C@@H]12 221759722 LNTZJLNNQXXJDM-GRYCIOLGSA-N 331.869 2.663 0 50 EFAA CSc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1 10540874 HCBLVYFROCNMPR-UHFFFAOYSA-N 342.530 2.809 0 50 EFAA Cn1cccc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225507549 GPCIDOGIYDTSCI-UKRRQHHQSA-N 338.329 2.992 0 50 EFAA O=C(NCCc1cscn1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12301359 LKAZKLRMYFNREH-HNNXBMFYSA-N 349.500 2.621 0 50 EFAA O=C1CCC[C@H]2[C@@H]3C[C@H](CN(c4ncccc4C(F)(F)F)C3)CN12 102843874 YNSSXQULODRNMU-BZPMIXESSA-N 339.361 2.938 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)NCc1ccccc1Cl 55564255 KCTYGEAXTVIQIV-UHFFFAOYSA-N 343.858 2.778 0 50 EFAA CC(C)CN1CCN(Cc2ccc(OC(C)C)cc2)C[C@@H]1CCO 20234020 CSMVRYSYFDLZBA-IBGZPJMESA-N 334.504 2.998 0 50 EFAA COc1ccccc1/C=C/CN1CCC[C@H](N2CCC(CO)CC2)C1 20540507 UYTVVYRBWSRGFO-PDGUBNMISA-N 344.499 2.877 0 50 EFAA O=C(NCc1cccnc1N1CCCCCCC1)[C@@H]1CCCNCC1 67886539 YOMIAHYNSADQRZ-QGZVFWFLSA-N 344.503 2.858 0 50 EFAA CC(C)c1noc([C@H]2CCCN(C(=O)CCc3csc(N)n3)C2)n1 20877797 KHZJPTBBSJWSJI-NSHDSACASA-N 349.460 2.571 0 50 EFAA Cc1cnn(CCN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 134765917 MKQWLEBRBCZPCY-QZTJIDSGSA-N 348.878 2.506 0 50 EFAA CCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1=O 170625346 METFKJWXJQWSAZ-UHFFFAOYSA-N 337.423 2.939 0 50 EFAA COc1nsc(C(=O)NC2CCC(OC)CC2)c1Br 1363021035 WCHPHRQKCLQSDK-UHFFFAOYSA-N 349.250 2.602 0 50 EFAA CCCO[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2)C1 65360541 JEMWWQVSNZNMSF-INIZCTEOSA-N 329.404 2.690 0 50 EFAA CC(C)C/C=C(\CN1CCC2(CC1)NCCNC2=O)c1ccccc1 67740813 XGMYZUALIOQOED-DJKKODMXSA-N 341.499 2.670 0 50 EFAA Cc1ccc(NC(=O)CNCCC(=O)NC2CCCCC2)c(F)c1 65499558 XTXQEIKDFVWXDR-UHFFFAOYSA-N 335.423 2.501 0 50 EFAA CCCC1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 171174643 FTXNSVKNSQXEOJ-UHFFFAOYSA-N 331.464 2.667 0 50 EFAA COc1ccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)nn1 122406861 LOWARUZDGQXTLB-UHFFFAOYSA-N 343.774 2.885 0 50 EFAA Nc1nc(NCc2ccc(Cl)nc2)c2cc(C(=O)O)ccc2n1 65408512 SEECKTUDSSHNIT-UHFFFAOYSA-N 329.747 2.571 0 50 EFAA Cc1cccc(CCNC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 252507576 WOUJGDBRNWVTTA-FZDIXFNVSA-N 345.487 2.904 0 50 EFAA COc1coc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)cc1=O 253395573 NCXQSVMASBZHRW-UKRRQHHQSA-N 337.416 2.752 0 50 EFAA Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36369502 ZVFOWOWUUDDIGJ-UHFFFAOYSA-N 346.452 2.723 0 50 EFAA Cc1c(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cnn1-c1ccccc1 119646246 QIOMFPROXUICIS-MOPGFXCFSA-N 348.406 2.961 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 253421054 OOTFNLSBXQABBN-DOTOQJQBSA-N 341.386 2.712 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 328656188 ZCDJVUGWJKFZSA-CEXWTWQISA-N 327.472 2.941 0 50 EFAA FC(F)(F)c1ccc(N2CCCN(Cc3cnc[nH]3)CC2)nc1 361155975 YXGIDBGSRVPPRO-UHFFFAOYSA-N 325.338 2.536 0 50 EFAA Cc1cc(C)c2c(CC(=O)N[C@@H]3CCCCNC3=O)coc2c1C 216275531 KPPRLWHWZHDWKU-OAHLLOKOSA-N 328.412 2.685 0 50 EFAA CN1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc21 363559240 ALCXDARRMRAMCV-HNNXBMFYSA-N 349.390 2.660 0 50 EFAA OC[C@@H]1CCCN(C2CCN(c3nccc(C4CCCC4)n3)CC2)C1 71763602 LZCZKFYCXCMLQY-MRXNPFEDSA-N 344.503 2.807 0 50 EFAA c1ccc2c(c1)CC(Nc1nc(-c3ccncc3)nc3c1CCNC3)C2 72168361 KPCGWQNNZXXUFD-UHFFFAOYSA-N 343.434 2.764 0 50 EFAA Cc1ncc2c(c1CNC(=O)C1(c3ccc(F)cc3)CC1)CCNC2 72440092 PDPRVQVIXSWZAU-UHFFFAOYSA-N 339.414 2.523 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cccc(C(=O)O)n2)C2CC2)cc1 262615068 LSJLJVGMRHMVOJ-INIZCTEOSA-N 326.352 2.670 0 50 EFAA Cn1nccc1C(=O)N1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1 369590071 BVEZEHYNPLWODM-HNNXBMFYSA-N 339.374 2.927 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1cccc2ncccc12 77519374 APKDHSVHDMADPY-SFHVURJKSA-N 327.428 2.744 0 50 EFAA Cc1cc(N2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)ccn1 72425614 HAZNPCJMLGGPKM-AZUAARDMSA-N 328.504 2.777 0 50 EFAA CS(=O)(=O)c1ccc(N2CCC3(C2)Oc2ccccc2O3)c(F)c1 377176930 SOVDJPVUOBBWRU-UHFFFAOYSA-N 349.383 2.607 0 50 EFAA COCCNc1cc(-c2cccc(F)c2C(N)=O)c2cc[nH]c2n1 72172743 RNAPTVSKCKHJDE-UHFFFAOYSA-N 328.347 2.526 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)NCCc1ccc(OC)cc1 72148603 RQUIJWZAADTRAD-MRXNPFEDSA-N 348.443 2.755 0 50 EFAA COC(C)(C)C[C@H](C)NC(=O)c1ccc(-c2nnc(S)o2)cc1 127378849 ZZDUFHQJIPCHQY-JTQLQIEISA-N 335.429 2.959 0 50 EFAA Cc1nc(CCNC(=O)c2n[nH]c3ccccc23)nc2c1CCCC2 215928304 NUGUBZLLJMXYJC-UHFFFAOYSA-N 335.411 2.513 0 50 EFAA Cc1cc(C)n(CCN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)n1 72463395 GIDHPGKKPNGTHE-UHFFFAOYSA-N 343.471 2.976 0 50 EFAA Cc1cnc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)s1 172724306 KAIBFPGFYNXGFG-YOEHRIQHSA-N 343.452 2.677 0 50 EFAA C/C=C/Cc1nnc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 71775528 GSJSXLWEWRRHQS-BAABZTOOSA-N 331.347 2.541 0 50 EFAA COCc1ccc(C(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)o1 72422552 SPHVWZOGXSFAMQ-AWEZNQCLSA-N 344.411 2.786 0 50 EFAA OCC[C@@H]1CN(Cc2nc3ccc(F)cc3[nH]2)CCN1C1CCCC1 42936051 XKDLUGOTSWOVAT-MRXNPFEDSA-N 346.450 2.513 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cnc(C2OCCO2)s1 241401099 NBDVGDLXNAZJQG-VHDGCEQUSA-N 342.420 2.647 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)s1 263207531 NBOYMJDUVCBAIC-KSSFIOAISA-N 327.405 2.967 0 50 EFAA CCC(C)(C)OCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 457405594 BRNFPLPMXBDTGV-CQSZACIVSA-N 330.432 2.641 0 50 EFAA CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1 49949242 SCIHDFZWZMHZKM-UHFFFAOYSA-N 330.428 2.780 0 50 EFAA Cc1nscc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 179689303 JEPNFZSNSPHOSX-AWEZNQCLSA-N 349.843 2.982 0 50 EFAA O=C(Cc1cncnc1)N1CCC(c2noc3cc(F)ccc23)CC1 290772533 BVBTTZKOOCPPBT-UHFFFAOYSA-N 340.358 2.706 0 50 EFAA Cn1ccnc1CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91391371 RQBVZAWPOXORID-LJQANCHMSA-N 341.411 2.520 0 50 EFAA Cc1cc(CCC(=O)NC[C@@H]2CCCN2)ccc1Br 178743966 WYKGXOWXNUYXAM-ZDUSSCGKSA-N 325.250 2.558 0 50 EFAA O=C1[C@H]2CC[C@H](CN(CCOCc3ccccc3)C2)N1CC1CCC1 92028769 XUEKBNTYLRWTCK-VQTJNVASSA-N 342.483 2.926 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)c1cc(C(=O)NC2CC2)ccn1 95504324 MVBMZVKEEYGBLY-UHFFFAOYSA-N 347.422 2.796 0 50 EFAA CCCCCc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2)s1 236694504 SRYWNPDHCYEZFM-CQSZACIVSA-N 330.457 2.924 0 50 EFAA Cc1nc2c(N3CCC(N4CCc5ccccc5C4)CC3)ncnc2o1 91745302 WLHBZAOEVMRVCU-UHFFFAOYSA-N 349.438 2.953 0 50 EFAA Cc1nccn1CCN(C)c1ncnc2c1Cc1ccccc1OC2 96152130 REIBIJRKMXXYRP-UHFFFAOYSA-N 335.411 2.601 0 50 EFAA Cc1cn2c(C(=O)N[C@H](C)c3nncn3C3CCCC3)csc2n1 240662523 PLVTXNBUKDSPDT-LLVKDONJSA-N 344.444 2.902 0 50 EFAA COC(=O)[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H]3CC[C@@H]5[C@]1(O)[C@H]4[C@H]1C[C@H]2[C@H]2CCC[C@@H]12 247820097 HPYCVFNRVRVSLX-IMHZCZNRSA-N 328.452 2.865 0 50 EFAA CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nn1 180963690 CPZKDVQXUJYTDT-UHFFFAOYSA-N 345.346 2.794 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 181907342 VIYZZVVIEZMPAK-MRXNPFEDSA-N 331.391 2.778 0 50 EFAA COc1ccccc1[C@H](O)CNC(=O)c1ccc2c(c1O)CCCC2 183265987 QFPPHNDNCNMQTJ-QGZVFWFLSA-N 341.407 2.743 0 50 EFAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)c1cn2ccsc2n1 534580420 YSWSHLYUSMFFFS-GFCCVEGCSA-N 346.460 2.812 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1nc2ccccn2c1F 299797000 SZWOPTQXKFMDFX-UHFFFAOYSA-N 343.362 2.834 0 50 EFAA CN(C)c1ccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)cn1 299779511 FYLNNPMPCFQVLQ-CQSZACIVSA-N 325.412 2.519 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc1C 185004326 JMRVKJDKTIFWDY-CZUORRHYSA-N 347.365 2.628 0 50 EFAA COCCOc1cccc(NC(=O)N2CCC[C@H]2Cn2cccn2)c1 299782869 WHLOJMTYPXXEOV-INIZCTEOSA-N 344.415 2.605 0 50 EFAA CCNc1nc(C)c(C(=O)N2CC(Oc3ccc(F)cc3)C2)s1 299786814 NWLCIRNMGYYERE-UHFFFAOYSA-N 335.404 2.926 0 50 EFAA CCCN(CCC)S(=O)(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 1434638851 QPKPQHYSIHEASF-HNNXBMFYSA-N 328.482 2.612 0 50 EFAA CCc1nccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)n1 952990982 YVZJKXWBNUBAKN-KRWDZBQOSA-N 328.435 2.932 0 50 EFAA COc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCC[C@@H]2C)c(C)c1 408500703 PHCHLIDZTUOSGN-FZMZJTMJSA-N 325.430 2.635 0 50 EFAA O=C(C[C@@H]1CCCOC1)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 891292284 JSRMCIOUCRALET-HNNXBMFYSA-N 344.386 2.791 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)oc2C)C1 408058679 LWFFHFMWBXKOAS-AAEUAGOBSA-N 332.322 2.568 0 50 EFAA CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1O 272299410 XCFBRNBYUNSRMT-HZPDHXFCSA-N 331.460 2.551 0 50 EFAA COC[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 185637402 AMROEGMIGBPFAZ-ZIAGYGMSSA-N 332.213 2.732 0 50 EFAA O=C(CCc1ccccc1OC(F)(F)F)OCCn1ccnc1 170591525 BTFNSNQYDPLOEF-UHFFFAOYSA-N 328.290 2.958 0 50 EFAA O=C(c1cc[nH]n1)N1CCC[C@H](Nc2cccc(Br)c2)C1 279414904 SQCYLZPRHMAHFE-ZDUSSCGKSA-N 349.232 2.889 0 50 EFAA Cc1ccc2cccc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)c2n1 188381116 LNMKAXNIZBNOPQ-AWEZNQCLSA-N 344.436 2.697 0 50 EFAA CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[C@H](O)CC(F)(F)F)C1=O 189392865 ANFLVBCETTXGSQ-CJNGLKHVSA-N 343.345 2.715 0 50 EFAA Cc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)[nH]n1 190417858 QQPGPDBGMBKZNI-ZIAGYGMSSA-N 340.210 2.755 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 193677588 BVUMSMGBEIRJKN-AWEZNQCLSA-N 346.818 2.722 0 50 EFAA COc1cccc(C)c1NC(=O)N1CCC[C@H](Cn2ccnn2)C1 195056091 NJNHHRVGQXICBB-AWEZNQCLSA-N 329.404 2.539 0 50 EFAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1csc(Cc2ccccc2F)n1 653318036 TUGORCXGJFIWKX-QMTHXVAHSA-N 348.399 2.951 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNC2CSCCSC2)n1 1506412377 CXSIZIUFAWBRQH-UHFFFAOYSA-N 337.436 2.785 0 50 EFAA Cc1nn(CCO)cc1CN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529125581 QRQZXTZYKFGNLT-VQTJNVASSA-N 341.455 2.536 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(O)c(F)c3)C1)CC2 1704339970 AAPWMRXNVRDPTF-IBGZPJMESA-N 341.386 2.750 0 50 EFAA COc1cc(-c2onc(NC[C@H](C)N(C)C)c2C(=O)O)ccc1F 1704308327 HPASAYMYBKXXDJ-VIFPVBQESA-N 337.351 2.550 0 50 EFAA CN(C)C(=O)c1ccc(NC[C@@H]2CCN(C3CCCCC3)C2)nc1 1704326039 UIDBPBVXJHQMTB-HNNXBMFYSA-N 330.476 2.850 0 50 EFAA CCN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 11664235 ZYJQZRVTFSTERZ-UHFFFAOYSA-N 349.500 2.813 0 50 EFAA CN(C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1)C1CCOCC1 11820338 GHTLLRIERPDPSY-UHFFFAOYSA-N 338.411 2.664 0 50 EFAA CC(C)CN(C)c1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 11838877 LWKSVJWOEVVTEW-KRWDZBQOSA-N 332.492 2.778 0 50 EFAA CCCn1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)c(C)n1 11843422 SWGCZXZGIOLDJT-FQEVSTJZSA-N 344.503 2.940 0 50 EFAA COCCCNc1ncnc2sc(C(=O)N3CCCC3)c(C)c12 12126092 UNMIYVWNPMZGJX-UHFFFAOYSA-N 334.445 2.684 0 50 EFAA CS(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 12304927 DLMBCZZYGIUGFL-UHFFFAOYSA-N 346.330 2.942 0 50 EFAA COc1ccc(Cn2cc(C(=O)N(C)C(C3CC3)C3CC3)nn2)cc1 12586783 WXMTUCFXLFTIDJ-UHFFFAOYSA-N 340.427 2.596 0 50 EFAA CCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12647462 LNKQASMLFLUOQP-UHFFFAOYSA-N 338.477 2.752 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cn2nc(C)cc2C)c(C)c1 16649971 VSGPEWRPUZUVEO-HNNXBMFYSA-N 335.473 2.792 0 50 EFAA O=C(Cn1ccccc1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 151740417 QQEIWBQSXAIAEK-MRXNPFEDSA-N 338.407 2.801 0 50 EFAA CN1CCc2nc(C=Cc3cc(Cl)cc4c3OCC4)nc(O)c2C1 1857529913 DGUNNXIOMATFCU-UHFFFAOYSA-N 343.814 2.929 0 50 EFAA CN(C)Cc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)nc1 253432837 OQAGASNZQJPVGN-UHFFFAOYSA-N 349.841 2.657 0 50 EFAA CC1(C)C[C@@H](NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)CCO1 154188126 WLVCSJLYLYOLLX-AWEZNQCLSA-N 333.428 2.809 0 50 EFAA Cc1nnccc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 367234390 OBWKSKWNNIIXRX-OAHLLOKOSA-N 334.383 2.547 0 50 EFAA COc1ccncc1Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 804903960 ITYSKTLAODKBNW-UHFFFAOYSA-N 325.290 2.591 0 50 EFAA C[C@@H]1OCC[C@@H]1C(=O)N[C@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1 909755430 CWFLWMYLHMTRQV-KPCOEVGBSA-N 346.210 2.834 0 50 EFAA Cc1cccn2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)cc12 829557793 QQZREUKRJQOAPW-RHSMWYFYSA-N 327.428 2.671 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)O[C@@H]1C[C@H]2CCCC[C@H]2NC1=O 830070252 OCGSCMONBSSPSJ-FRFSOERESA-N 344.386 2.771 0 50 EFAA CON1CCC(Cc2nc(-c3ccc(CN(C)C)cc3)no2)CC1 863951396 SMHCHJWISOMCHR-UHFFFAOYSA-N 330.432 2.614 0 50 EFAA COc1ccc(CN[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c(OC)c1 952890507 VLSHJYXWTHBQQW-HIFRSBDPSA-N 331.416 2.896 0 50 EFAA C[C@@H](NC(=O)c1cc(O)nn1C)c1ccc(OCC2CC2)c(F)c1 1875293580 VRTDNOPQBMUFMT-SNVBAGLBSA-N 333.363 2.545 0 50 EFAA CC(C)n1ncc(C(=O)N[C@@H](C)c2ncccn2)c1C(F)(F)F 1875286092 LTUOQJNEYHQWJR-VIFPVBQESA-N 327.310 2.764 0 50 EFAA CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)Nc2cccc3c(O)nccc23)C1 1875283771 FKBWCOKAUMBZIJ-NWDGAFQWSA-N 339.317 2.619 0 50 EFAA Cc1ccc(-c2ccccc2)cc1C(=O)NC[C@H]1C[C@H](CO)CO1 1875299234 DVSJQNTUXRMPPB-CRAIPNDOSA-N 325.408 2.789 0 50 EFAA CC(C)c1nn(C)cc1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875393307 DEAJDFYGCHXQGS-NWDGAFQWSA-N 345.447 2.561 0 50 EFAA C[C@@H](CNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ncccc1F 1875313450 QWVWUFYNGUWOSA-BJOHPYRUSA-N 340.757 2.967 0 50 EFAA CC[C@@H](NC(=O)CNC(=O)c1ccc2n[nH]cc2c1)c1ccccc1 1875303398 SWRSAVIKVVNWKA-MRXNPFEDSA-N 336.395 2.560 0 50 EFAA O=S1(=O)CCC[C@H]1CCNCc1ccc(Cl)c2cccnc12 883299571 YKLPEZMQQGRESN-ZDUSSCGKSA-N 338.860 2.945 0 50 EFAA CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2c1CCCC2 963118080 BPNNNIAUKNMPAD-RTBURBONSA-N 326.440 2.791 0 50 EFAA CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cc(C)c(Cl)s1 287655164 VETRQRWIOBBDQR-RKDXNWHRSA-N 337.850 2.584 0 50 EFAA COC(=O)c1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC 434229 TVULGKNLOYIDPO-MRXNPFEDSA-N 343.335 2.772 0 50 EFAA biogenic COc1ccc(-c2nnc3sc(-c4cc(C)n[nH]4)nn23)cc1OC 22504172 CQVAQULLGSHGTP-UHFFFAOYSA-N 342.384 2.569 0 50 EFAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N[C@H]1C[C@@H](CO)C1 2325760319 JOIAMWIADUHKAU-LPZJRDJDSA-N 342.370 2.913 0 50 EFAA COc1cccc2[nH]c(CN3CC[C@](C(N)=O)(c4ccccc4)C3)cc12 2325779540 NCBDELWPHUKWQZ-OAQYLSRUSA-N 349.434 2.806 0 50 EFAA CCN(C(C)=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(C)(C)C)CN2)cn1 2325795850 AIUSVYQSZQNNBA-GDBMZVCRSA-N 346.475 2.807 0 50 EFAA O=C(C[C@H]1CCN(CC(F)(F)F)C1)Nc1cncc2c1CCC2 2325798235 YTNMKBPDOXBCMW-LLVKDONJSA-N 327.350 2.783 0 50 EFAA O=C(NCc1cccc(F)c1F)N[C@H]1c2ccccc2OC[C@H]1CO 896125848 UYDCCYISMNLDOB-SJKOYZFVSA-N 348.349 2.506 0 50 EFAA Cc1nc([C@H]2CCN(Cc3c(C(=O)O)oc4ccccc34)C2)no1 903626962 KLRFOFRDVDXABK-NSHDSACASA-N 327.340 2.812 0 50 EFAA O=C(Oc1ccc(F)cc1)[C@H]1CCCCN1C(=O)c1cccnc1 151436044 DOBCZCJWTTVGBQ-MRXNPFEDSA-N 328.343 2.821 0 50 EFAA CC(=O)O[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 570098 OSJFIHIXNSNZRI-LJQANCHMSA-N 338.407 2.640 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 615500 KOXWYBLNMQWLQU-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA c1cc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)ccn1 1016523 KHHFRRGSGJAHLT-UHFFFAOYSA-N 337.364 2.686 0 50 EFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OC)c(C)c2)C1=O 2356148420 VIYZYWNOZDUAQT-HXUWFJFHSA-N 346.471 2.607 0 50 EFAA O=C(OC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 3995479 CZCCSGOHGQOHTD-BBWFWOEESA-N 329.396 2.930 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1 4384898 MKZQCIGKHZKINJ-UHFFFAOYSA-N 340.832 2.921 0 50 EFAA CCOc1ccccc1-c1nnc(SCC(=O)NC2CC2)n1CC 6726410 HGLUVTMKTLHHGF-UHFFFAOYSA-N 346.456 2.734 0 50 EFAA O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCOCC2)[nH]1 8772771 FSHQFBZJQKUFSY-UHFFFAOYSA-N 337.832 2.552 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccnc(-n2ccnc2)c1 171006680 UGCJJIJEBQLXMT-YJBOKZPZSA-N 348.406 2.870 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 225448817 IURRNDYLSYFFTB-CYBMUJFWSA-N 345.365 2.579 0 50 EFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCCN1CC=CCC1 225432731 WYPSXKNVFNRNPH-GFCCVEGCSA-N 326.799 2.625 0 50 EFAA COc1ccc(OC)c(/C=C/C(=O)NC[C@H](C)CN2CCCCC2)c1 225514664 OILRUKBMGKUCRD-JCVNQNCUSA-N 346.471 2.955 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@H](CO)C1 55359775 RSKBOENXVDAEHB-PDRSHUBSSA-N 348.531 2.804 0 50 EFAA C[C@@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)N1CCCC1 102546668 BDFIXOAMMXFXKV-ZDUSSCGKSA-N 342.418 2.585 0 50 EFAA O[C@@H]1CCCC[C@H]1n1cc(C2=CCN(CCN3CCCC3)CC2)cn1 67490428 GZUFYVQDPGPBHY-WOJBJXKFSA-N 344.503 2.544 0 50 EFAA CN(c1ccc(Cl)c(C(=O)N2CCCCCC2)c1)S(C)(=O)=O 67629931 MEMKTJSPIWWGQY-UHFFFAOYSA-N 344.864 2.752 0 50 EFAA CCNc1ncc(C(=O)N(Cc2ccccc2C)[C@H](CC)CO)cn1 55133651 YWZWYQXLFFMSDJ-QGZVFWFLSA-N 342.443 2.630 0 50 EFAA COc1ccc(N2C(=O)C[C@@H](NCc3ccccc3Cl)C2=O)cc1 20136948 FJPVJHFUFCCHOZ-MRXNPFEDSA-N 344.798 2.770 0 50 EFAA COc1ccc(OC)c(NS(=O)(=O)c2cc(F)ccc2OC)c1 10302009 JQNPJIVEJFYNCZ-UHFFFAOYSA-N 341.360 2.652 0 50 EFAA COc1ccc([C@H](O)C(=O)N(C)Cc2cnc3ccccc3c2)cc1 67975599 PESFKNWNKQFEGM-IBGZPJMESA-N 336.391 2.935 0 50 EFAA COCc1cc(CNC(=O)c2csc(-c3cccs3)n2)n[nH]1 67514761 OIGAYCDOLHWSJC-UHFFFAOYSA-N 334.426 2.671 0 50 EFAA Cn1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 67805506 NXCULNLRECYVST-PKOBYXMFSA-N 335.407 2.564 0 50 EFAA O=C(CCc1ccc2c(c1)CCO2)NC[C@H]1CCCN2CCCC[C@@H]12 170613707 UHDLBSVWLKMWNJ-MOPGFXCFSA-N 342.483 2.935 0 50 EFAA COc1ccc(-c2nc(CN3CCC(O)CC3)c(C)o2)c(OC)c1C 67909876 ISMBCFIXIDLXQZ-UHFFFAOYSA-N 346.427 2.932 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 348249663 VEURFCIRIYCGRJ-MOPGFXCFSA-N 343.398 2.719 0 50 EFAA c1ccc(OCCNc2nc(-c3cccnc3)nc3c2CCNC3)cc1 67674540 JBXHVASIKUSCEA-UHFFFAOYSA-N 347.422 2.675 0 50 EFAA c1cn2c(-c3noc(-c4ccnc(OC5CCC5)c4)n3)cnc2cn1 350845046 FOEKRUYKMDSCDX-UHFFFAOYSA-N 334.339 2.773 0 50 EFAA O=C1C[C@H](CNc2ncc3c(n2)CCN3c2ccccc2)CN1C1CC1 65370662 AXAHHPLEMMRQQY-CQSZACIVSA-N 349.438 2.594 0 50 EFAA Cc1ccccc1[C@H]1CN(c2cncc(-n3cccn3)n2)[C@H](C)CO1 280812198 WZBTZQKOUBPIIY-NVXWUHKLSA-N 335.411 2.937 0 50 EFAA COCc1ccccc1/C=C(\C)CN1CCN(c2cnn(C)c2)CC1 351588926 LDRFIRMGDSVGBC-SFQUDFHCSA-N 340.471 2.792 0 50 EFAA O=C(O)[C@@H]1c2ccsc2CCN1C(=O)N1CCc2ccccc21 321447289 GYEXSXLEFYXKNO-HNNXBMFYSA-N 328.393 2.915 0 50 EFAA Cc1ocnc1C(=O)N1CCCN(CCCc2ccccc2)CC1 77486096 UWZFJFLODIZIJH-UHFFFAOYSA-N 327.428 2.764 0 50 EFAA O=C(CSC[C@@H]1CCCCO1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 122571023 HXMWRXCEQOOAKF-DIECFANBSA-N 339.501 2.753 0 50 EFAA Cc1noc(C)c1CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 122617311 BIFJFESFJOJUCC-UHFFFAOYSA-N 339.439 2.738 0 50 EFAA Cc1ocnc1C(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 77440074 CKQLVOLISJNTID-KRWDZBQOSA-N 328.412 2.829 0 50 EFAA CCCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72129053 ICYGQDAAROVVRL-UHFFFAOYSA-N 339.443 2.680 0 50 EFAA COc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cccn2)c1 77380306 LPHTUWIPFPFRCZ-OAHLLOKOSA-N 349.456 2.525 0 50 EFAA CC(C)(C)n1ncnc1CN1CCC(O)(Cc2cccc(F)c2)CC1 374923668 BDDUXNDRNRXOGG-UHFFFAOYSA-N 346.450 2.742 0 50 EFAA C[C@@H](O)CN([C@H](C)Cc1ccc(Cl)cc1)S(=O)(=O)C1(C)CC1 331823626 IMZQMXSXTQAREB-CHWSQXEVSA-N 345.892 2.836 0 50 EFAA Cc1noc([C@@]2(O)CCN(Cc3cc4cc(C)c(C)cc4o3)C2)n1 368130597 DIVDJUFVMGVXLZ-GOSISDBHSA-N 327.384 2.835 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2CN)cc1OC 237013740 GSBNHSPKCXOCFX-LBPRGKRZSA-N 326.824 2.701 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@@H](CN)C[C@H]2C)c2ccccc12 447244561 LCAVJMDHKLDWHM-ZIAGYGMSSA-N 348.468 2.596 0 50 EFAA CC[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1CCCO1 128422844 XEFGIKKWJJHIED-STQMWFEESA-N 333.413 2.713 0 50 EFAA C[C@@H](Cc1cccnc1)Nc1nc(-c2ccncc2)nc2c1cnn2C 72149923 KIGBNCTWONESBL-ZDUSSCGKSA-N 345.410 2.863 0 50 EFAA CCCN(C(=O)Cn1ccc(=O)c2ccccc21)[C@@H]1CCCC[C@H]1O 71415722 RTUYPWNZEUPVIH-IEBWSBKVSA-N 342.439 2.544 0 50 EFAA C[C@H](Oc1cccc(CO)c1)C(=O)N1CC=C(c2cccnc2)CC1 378520527 NYTGGCURCZPJMR-HNNXBMFYSA-N 338.407 2.657 0 50 EFAA CC(C)Oc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)ccn1 282662344 VJXHZRBIFGLRIT-DLBZAZTESA-N 344.386 2.956 0 50 EFAA CCCn1ccc2ccc(NC(=O)N3CC(=O)N(C)[C@@H](C)C3)cc21 282843997 VUNOPLYOYQRQMU-ZDUSSCGKSA-N 328.416 2.746 0 50 EFAA CCn1ccnc1[C@H](NCc1cccc(OC)n1)C1CCOCC1 284407835 CRYZJOBAPQTFNN-QGZVFWFLSA-N 330.432 2.564 0 50 EFAA Cc1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)o1 223668391 NIVADVOXACJAAX-GOSISDBHSA-N 340.423 2.942 0 50 EFAA COc1cccc(OC2CN(C(=O)c3ccccc3N(C)C)C2)c1 85533999 DOIIMEVSYBFGQX-UHFFFAOYSA-N 326.396 2.665 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cccc(OCc2ccccc2)c1 284614516 KPGZFAJNZKJRAT-AEFFLSMTSA-N 328.387 2.663 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c1 41151838 XBOGIDRFRCMDAR-UHFFFAOYSA-N 343.408 2.832 0 50 EFAA CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 285405040 VXXYQZLYGNEHKC-LLVKDONJSA-N 332.322 2.686 0 50 EFAA COCC[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 223162183 LQZUHOOOGGEQND-LBPRGKRZSA-N 332.227 2.800 0 50 EFAA O=C(Nc1ccccc1)C1CCN(C(=O)c2ncncc2Cl)CC1 175125371 VQPVCDRKCDEKHC-UHFFFAOYSA-N 344.802 2.621 0 50 EFAA CC(C)Cn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2c1CCCC2 135958715 PWDKLQSRZSBROC-UHFFFAOYSA-N 341.411 2.736 0 50 EFAA Cc1cc2cc(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)ccc2o1 223770439 YFBWXGUZKLIIMS-PVARCSIZSA-N 339.395 2.717 0 50 EFAA CCCCC[C@H](O)/C=C/[C@H]1C[C@@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O 43772593 URVGHNOQCRQJTD-DRHKNVIJSA-N 342.476 2.877 0 50 EFAA in-vitro COc1ccc(OC2CCN(C(=O)C(C)(C)N3CCCC3)CC2)cc1 82109642 ZZBIVHHYNKPQRD-UHFFFAOYSA-N 346.471 2.939 0 50 EFAA Cc1nc(C)n(CCNC(=O)c2[nH]c3c(C)ccc(C)c3c2C)n1 91896630 UJFDVOXCQNBZPT-UHFFFAOYSA-N 325.416 2.732 0 50 EFAA CCC[C@@]1(CO)CCN(C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 290544251 HHVVFIGJYUTFCW-GOSISDBHSA-N 333.359 2.557 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N(Cc1cocn1)Cc1cocn1 97370470 LYHXOQRUVVCGGU-UHFFFAOYSA-N 349.350 2.895 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 238881538 AQPUENQKYIFSLE-KBAYOESNSA-N 341.459 2.617 0 50 EFAA COc1ccc(CNC(=O)Cc2cn3ccsc3n2)c(F)c1F 97546504 LQINUZYWXCZRDN-UHFFFAOYSA-N 337.351 2.542 0 50 EFAA Cc1ccccc1[C@@H](C(=O)NCCC(=O)NC1CCCCC1)N(C)C 95511914 JGSWEDMTQMLTSH-IBGZPJMESA-N 345.487 2.553 0 50 EFAA COCc1noc(CN2CCC[C@H](c3nccn3CC3CCC3)C2)n1 95370316 HPYFYOHQNZVOIH-HNNXBMFYSA-N 345.447 2.592 0 50 EFAA Cc1ccccc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 91535443 SVKGKIXISMDPDT-UHFFFAOYSA-N 330.472 2.582 0 50 EFAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 96163464 AJTAPRYLAQKSQM-MRXNPFEDSA-N 338.455 2.508 0 50 EFAA Cc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(O)CCNC[C@H]2C1 91575013 DJOKAZVZWVOJKX-HOTGVXAUSA-N 328.378 2.560 0 50 EFAA O=C(CCN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)Nc1ccccc1 180241862 PUDUPHXBJSNJDX-OAQYLSRUSA-N 348.402 2.658 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1ccccc1 294202003 HOJMEBQEMFPPDJ-SVGFKBNWSA-N 330.428 2.582 0 50 EFAA COc1ccc([C@H](NC(=O)c2cccn2C(C)C)[C@H]2C[C@@H](O)C2)cn1 244595018 DMZPKFUNJFRIIB-DAYGRLMNSA-N 343.427 2.715 0 50 EFAA COC[C@]1(CNC(=O)c2cc(C)cs2)OCCc2ccccc21 295281544 BIMMYICZITUAAT-SFHVURJKSA-N 331.437 2.901 0 50 EFAA CCN(C(=O)Nc1cccnc1-n1cncn1)c1ccc(OC)cc1 1199360118 NLGYDRBCUQJKCN-UHFFFAOYSA-N 338.371 2.729 0 50 EFAA CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC(C(=O)O)CC1 299751741 RMTAMPUQBIMINW-OAHLLOKOSA-N 341.354 2.691 0 50 EFAA COc1cccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)c1OC 534592658 RKEVDPNMCVKPAN-GOSISDBHSA-N 343.423 2.736 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)CN(C)Cc2ccc(F)cc2)n1 299762683 WKOYTCDNUPHIOU-GFCCVEGCSA-N 334.395 2.641 0 50 EFAA Cc1nc(C)c(C(=O)NCc2nncn2CCc2ccccc2)s1 825272324 WCCFUHAPGNXZAR-UHFFFAOYSA-N 341.440 2.524 0 50 EFAA CCn1nc(-c2cccc(F)c2)nc1C1CCN(C(=O)N(C)C)CC1 584888554 VESYYRQXWVCVHT-UHFFFAOYSA-N 345.422 2.965 0 50 EFAA OCCCn1nc(C2(c3ccccc3)CC2)nc1CCc1cccnc1 670461559 GFVUIJMLJRHQSP-UHFFFAOYSA-N 348.450 2.921 0 50 EFAA CC(C)(C)c1ccc2c(c1)CCN(S(=O)(=O)Cc1ccno1)C2 1414209208 LQWGCMOKMSQUPM-UHFFFAOYSA-N 334.441 2.860 0 50 EFAA Cc1c(CNCCN2CCC[C@H](CO)C2)[nH]c2ccc(Cl)cc12 952973856 IGKLFBKYTXCVOT-AWEZNQCLSA-N 335.879 2.924 0 50 EFAA COc1ccc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)cc1 951723449 KVMYDLKGVWZDMH-LBPRGKRZSA-N 329.429 2.671 0 50 EFAA C[C@H](NC(=O)NC1CCC(O)CC1)c1cccc(N2CCCC2)c1 86991664 HUFKNXOZLZIATC-NXVRBGIVSA-N 331.460 2.951 0 50 EFAA COC[C@H]1[C@H](NC(=O)c2cc(C)nc3c(C)cccc23)[C@H]2CCO[C@H]21 1565505676 AEFNOHFYQBKGRY-IWKCEXAMSA-N 340.423 2.631 0 50 EFAA C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CCO1 272076437 MCNQHJUCUYGSJC-BHIYHBOVSA-N 330.472 2.925 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 276940508 ATLIPQKVSGZSGW-YOEHRIQHSA-N 331.391 2.833 0 50 EFAA Cc1ccc(C[C@H](C)c2nc(CN3C(=O)NC(C)(C)C3=O)no2)cc1 170595969 RADHXYNWQBOAPX-LBPRGKRZSA-N 342.399 2.555 0 50 EFAA COC1(CNC(=O)c2ccc3c(c2)CCC(=O)N3C)CCC(C)CC1 279754430 DGYNKYBVLPVOME-UHFFFAOYSA-N 344.455 2.921 0 50 EFAA O=C(N1CCC[C@@H](Cn2ccnn2)C1)C1(Cc2ccccc2F)CC1 188715949 FTBJKOVEBKMYAB-OAHLLOKOSA-N 342.418 2.679 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434224 NWROJFZKUCBNQG-HNNXBMFYSA-N 343.354 2.982 0 50 EFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1 190844033 JOOLGMSICGAKTG-MSOLQXFVSA-N 349.450 2.963 0 50 EFAA C[C@H](CC(=O)Nc1cccc(-c2ccn[nH]2)c1)N1CCCCC1=O 192153670 GXSBYARYAQYUGX-CYBMUJFWSA-N 326.400 2.806 0 50 EFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2n[nH]nc2C)cc1 193753669 WXNVRUJTZHHKGL-UHFFFAOYSA-N 349.394 2.604 0 50 EFAA CCOC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 195324 OXRKIWWJEWPWAG-UHFFFAOYSA-N 340.217 2.864 0 50 EFAA Cc1cccc(OC2CN([C@H]3CCC(=O)N(CC4CC4)CC3)C2)c1 1506397348 QJZGXJPGINJTHN-KRWDZBQOSA-N 328.456 2.849 0 50 EFAA COc1ccc(F)c(F)c1CN(CCN(C)C)Cc1[nH]cnc1C 1704307479 HAOSKEZMDWQNMI-UHFFFAOYSA-N 338.402 2.569 0 50 EFAA Cc1ccc(CCC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(C)c1 1704338176 MSLVZSYJCGMFPA-FGTMMUONSA-N 328.456 2.609 0 50 EFAA N[C@H](C(=O)N1CCC2(CC1)OCCc1ccsc12)c1ccccc1 1704325763 QSMHCWYDRGGCDY-INIZCTEOSA-N 342.464 2.839 0 50 EFAA Cc1cc(C(=O)NC(C)(C)CC(N)=O)cc(Cl)c1Br 252481675 CQGAYGKRVPCFSI-UHFFFAOYSA-N 347.640 2.795 0 50 EFAA COC(=O)[C@H](O)[C@@H](Sc1ccccc1N)c1ccc(OC)cc1 5570187 MPWGGMIUPWSNEV-CVEARBPZSA-N 333.409 2.645 0 50 EFAA in-vitro CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C2CCN(C)CC2)C1 11874601 RVGRPIVMHCXBFM-OAQYLSRUSA-N 344.499 2.969 0 50 EFAA COc1ccc(CCN2C[C@H](NCc3cccc(F)c3)CC2=O)cc1 12304219 INCXPRNEMKZFNU-GOSISDBHSA-N 342.414 2.768 0 50 EFAA CCCN1CCC[C@@H](n2ccnc2-c2ccc(OCCO)cc2)C1 1857677040 WAXVGLQVKOJSHZ-QGZVFWFLSA-N 329.444 2.968 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)c1 1857681116 YLPMXSNFWGJGML-GUTXKFCHSA-N 339.457 2.808 0 50 EFAA COc1cc(C)c(-c2nccn2C[C@H]2CN(C)CCO2)c(C)c1C 1857697804 NBUIBLKUEJQHBN-MRXNPFEDSA-N 329.444 2.815 0 50 EFAA COc1cc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)ccc1C 1857710779 OYSKNVCFVHQZIG-CQSZACIVSA-N 325.412 2.878 0 50 EFAA O=C(c1cc[nH]c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857721644 ZIZHESOQOXEICV-OALUTQOASA-N 339.439 2.693 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1c1ccncc1 216866577 YBKAQKCJZNUQRW-CVEARBPZSA-N 347.374 2.570 0 50 EFAA CN(CCCCNC(=O)Cc1csc(-c2ccccn2)n1)C1CC1 408520565 LRXYPTDURRDFHF-UHFFFAOYSA-N 344.484 2.738 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1noc(-c2ccc(Cl)cc2)n1 423276512 MYIRHVYGVKSNLG-UHIISALHSA-N 348.834 2.955 0 50 EFAA COc1ccc2nc(CN3CCC(F)(c4ccccn4)CC3)[nH]c2n1 450931557 PMRDLBHUABQHGM-UHFFFAOYSA-N 341.390 2.822 0 50 EFAA Cc1cnc(OC2CCN(Cc3ccccc3C(=O)O)CC2)nc1 656191616 ZIJUQJOJXCHPQI-UHFFFAOYSA-N 327.384 2.527 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](N)C3)c2C2CC2)cc1Cl 132546312 BJBNLYLNQURTKO-CYBMUJFWSA-N 344.846 2.885 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCOc1ccccc1Cl 345756318 FZJQUHVXEMNHSO-VNQPRFMTSA-N 325.836 2.581 0 50 EFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1nnc2n1CCOC2 253417441 OEEBTQPBLFASNZ-HOCLYGCPSA-N 342.443 2.790 0 50 EFAA CN(Cc1ccon1)C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 266277133 YVAZPKWVIPVOOC-LJQANCHMSA-N 341.411 2.576 0 50 EFAA CN([C@@H](CO)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 1211948210 GNZUZXVIBOIOGG-KRWDZBQOSA-N 342.420 2.589 0 50 EFAA COc1ccc([C@@H](C)C(=O)N2CCc3nc[nH]c3C23CCC3)cc1 829084784 NCWBVIKHNGWBLW-CYBMUJFWSA-N 325.412 2.986 0 50 EFAA CN(CC1(CO)CC1)C(=O)c1cc(Br)cnc1C1CC1 935550440 WQQQDRWLNLBVEK-UHFFFAOYSA-N 339.233 2.566 0 50 EFAA Cn1nc(O)c2c1CN(Cc1ccc(SC(F)F)cc1)CC2 952994200 XBPWSLPGYXAZTR-UHFFFAOYSA-N 325.384 2.999 0 50 EFAA C[C@@H](CO)NCc1sc(Br)cc1Br 952994873 VSVGBVOKXLWUDT-YFKPBYRVSA-N 329.057 2.744 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1c1nnc(C2CC2)o1 1875327362 WLEOLSQEDBOMSM-HZPDHXFCSA-N 327.384 2.848 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccnnc2)CC1 1875387891 CYQGJLZERMSNSP-UHFFFAOYSA-N 340.471 2.732 0 50 EFAA C[C@H](NC(=O)NC[C@H]1C(=O)NCC[C@H]1C)c1ccc(F)c(Cl)c1 1875300824 RQVAAVLHAARBJR-JFGNBEQYSA-N 341.814 2.612 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc3c2CCC(C)(C)O3)cn1 1875379895 ZBXGJCQVDJYNTL-QRQCRPRQSA-N 327.428 2.787 0 50 EFAA O=C(NCc1nc(C2CCOCC2)n[nH]1)NC[C@H]1CCC=CCCC1 896102112 PCYUIACKDYGZIX-AWEZNQCLSA-N 347.463 2.634 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C(=O)O)c1 263350195 PGYNCHJOLZMBLB-RDTXWAMCSA-N 338.407 2.635 0 50 EFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1OC 69720 NGZCQSQYVHZGON-HNNXBMFYSA-N 348.399 2.531 0 50 EFAA Cc1nn(C)cc1CC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 2100544789 JLBNSWKUJBEYHV-RBUKOAKNSA-N 339.439 2.650 0 50 EFAA CN1C[C@@H](NC(=O)c2cnc(C(C)(C)CF)o2)Cc2ccccc21 2325781213 XVAWXKHZSAUKDQ-ZDUSSCGKSA-N 331.391 2.713 0 50 EFAA NCCCn1ccc2cc(C(=O)N3C[C@H](CO)c4ccccc43)ccc21 2325788169 QOVJEFXHONHWLF-QGZVFWFLSA-N 349.434 2.726 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccc3c(c2F)OCCO3)Cc2ccccc21 2325788308 XKFNTVNTGDVWEN-HNNXBMFYSA-N 343.354 2.781 0 50 EFAA COc1ccc(C(N)=O)cc1C(=O)NCC[C@H]1CCc2ccccc21 2325791698 RDKLUOUMMLLERZ-CQSZACIVSA-N 338.407 2.644 0 50 EFAA NCC[C@@H]1CN(C(=O)c2ncnc3c2ccn3C2CC2)c2ccccc21 2325799353 PQQQOUXSSYDNDS-CYBMUJFWSA-N 347.422 2.859 0 50 EFAA COCc1ccc([C@H]2SCCN2C(=O)[C@@H]2C[C@H](C)N(C)C2)cc1 2325805367 CPWKKRSHYOHOMF-FDQGKXFDSA-N 334.485 2.747 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 309282 KEBOSRQCQMXCGD-UHFFFAOYSA-N 336.457 2.990 0 50 EFAA Cc1cnnc(-c2ccc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2)c1C 2356147327 RIGHZHHJABDNHY-QGZVFWFLSA-N 347.422 2.771 0 50 EFAA COC(=O)c1cccc(CN2CCC[C@]23CCCN(C(C)C)C3=O)c1 2356165324 CLWOEIOPBGHUMO-HXUWFJFHSA-N 344.455 2.839 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 4867394 ZDQPNDSLWHJOCX-ZDUSSCGKSA-N 345.376 2.563 0 50 EFAA Nn1c(SCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 4952121 HAQZTPSHTYERFF-HNNXBMFYSA-N 340.408 2.797 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)CSc1nccn1C 6700524 ZVYKTPDIBWJCHR-UHFFFAOYSA-N 339.442 2.698 0 50 EFAA O=C(Cc1ccc2[nH]ncc2c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225423671 XVJJVGNSOAXDNY-WMZOPIPTSA-N 339.370 2.579 0 50 EFAA COc1cc(CNc2nnn[nH]2)ccc1OCc1ccc(C)cc1 9193498 GCNRVJJIBAZUJJ-UHFFFAOYSA-N 325.372 2.708 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100609795 BYZIUDKSAIYKBZ-BZSNNMDCSA-N 346.496 2.514 0 50 EFAA O=C1C[C@H](c2nc(CCc3ccccc3)n[nH]2)CN1Cc1ccccn1 65494119 RBIMWFLNEZCZCO-INIZCTEOSA-N 347.422 2.501 0 50 EFAA Cn1cc(-c2ccnc(N3CCC(c4cccc(O)c4)CC3)n2)cn1 23542422 NTCXOROMAUXRLJ-UHFFFAOYSA-N 335.411 2.967 0 50 EFAA Cc1nc2c(c(NCc3cc(CC(C)C)on3)n1)CCN(C)CC2 65489808 VMBBNXHTJNLJAB-UHFFFAOYSA-N 329.448 2.614 0 50 EFAA CCC(CC)n1ncc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)c1C 347553184 BXFOWOWNGSHBOW-LBPRGKRZSA-N 347.419 2.661 0 50 EFAA CC1=C(C(=O)N(C)Cc2ccc(Cl)cc2Cl)[C@H](C)NC(=O)N1 67740463 NICMTSKDKQTCKS-QMMMGPOBSA-N 342.226 2.927 0 50 EFAA CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)co2)C1 351580046 AZBBOTCOEHXFIG-CQSZACIVSA-N 327.384 2.929 0 50 EFAA C1CC2(CCN1)CCC(NC1CCN(C3CCOCC3)CC1)CC2 67895242 FMZBEDDMSBATQB-UHFFFAOYSA-N 335.536 2.532 0 50 EFAA C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 119887834 JXAIGLDVRIMLLH-PBHICJAKSA-N 331.437 2.962 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 229500956 SAISOOIRVFJUKA-VNQPRFMTSA-N 341.411 2.896 0 50 EFAA O=C(Cc1cccs1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435569265 JNQVCIWLDUQOPF-AWEZNQCLSA-N 347.509 2.918 0 50 EFAA COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 253433414 WPIPQWWGVTWTLF-IAGOWNOFSA-N 342.443 2.638 0 50 EFAA COc1cc(NC2CCN(c3ncc(F)cn3)CC2)cc(OC)c1 253431840 IHNQLIWVYZKLIQ-UHFFFAOYSA-N 332.379 2.714 0 50 EFAA CC(C)CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328605809 PGQNLZCIUMQCRG-IFXJQAMLSA-N 344.434 2.776 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 35686470 NOBAISGVQYVDQA-UHFFFAOYSA-N 333.819 2.836 0 50 EFAA COc1ccccc1N1CCN(Cc2cccc3nonc23)[C@@H](C)C1 72166321 NBKNMEMLRMVNPK-AWEZNQCLSA-N 338.411 2.942 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 363691219 JWDGZBTUIWXLRO-ZTFGCOKTSA-N 341.455 2.591 0 50 EFAA O=C(O)C1(CCOc2ccccc2)CCN(c2ncccn2)CC1 71763073 VJMFDOAVCUKJJX-UHFFFAOYSA-N 327.384 2.617 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CCCOC1 239527582 ATFROERFQJPKEN-NZSAHSFTSA-N 345.487 2.575 0 50 EFAA Cc1nc(C)c(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)o1 173449141 ZNNSEMWIXNGJIZ-QGZVFWFLSA-N 327.428 2.886 0 50 EFAA Cc1nc(CCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)sc1C 71763216 ZFTSWRPUQNCRDJ-UHFFFAOYSA-N 331.441 2.888 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 156416008 PHZXTEODNULDCH-RYUDHWBXSA-N 330.350 2.670 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c2c(C)n[nH]c2n1 281867748 DQNBLHSXYGGWGM-FVQBIDKESA-N 342.443 2.730 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCC[C@H]1CN1CCCCC1 240707831 HQTHADPJMSGTTO-AWEZNQCLSA-N 342.418 2.859 0 50 EFAA OC[C@@H]1CCCCN1c1cc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)ncn1 333205252 BRHRDPBMNXIWOT-MTCSXPRVSA-N 342.487 2.843 0 50 EFAA Cc1cc2cc(C(=O)NC[C@H](C(=O)O)C3CCOCC3)oc2cc1C 262833717 BMKRJBQYWUFPMS-HNNXBMFYSA-N 345.395 2.907 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 77291258 ORCOOZDQOKHWTH-HNNXBMFYSA-N 346.496 2.947 0 50 EFAA CCOc1cccc(N2CCN([C@H](C)c3nnc(C)s3)CC2)n1 283266204 WILSECIQCFBMRY-GFCCVEGCSA-N 333.461 2.523 0 50 EFAA Cc1noc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCN2C)n1 284867330 MQELUMUUNKMQFZ-CQSZACIVSA-N 340.383 2.562 0 50 EFAA Cc1nn(C)cc1-c1ccnc(NCCSCc2[nH]cnc2C)n1 48188056 QNXDDCLTFDYORR-UHFFFAOYSA-N 343.460 2.562 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc3cc(Cl)ccc3o2)C1 285893767 SLFRIBGKRQEQSR-NEPJUHHUSA-N 346.774 2.807 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 82157398 HAIIFPFBHGOQPO-SFHVURJKSA-N 348.462 2.817 0 50 EFAA O=C(NC1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1)C1CC1 177158732 BTMIXXGGQHTRDH-UHFFFAOYSA-N 349.434 2.879 0 50 EFAA CC(C)c1nc(CN(C)C(=O)COC[C@H]2CCCCO2)cs1 82160872 ZIYGHPNCPJMDLH-CQSZACIVSA-N 326.462 2.811 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1ccccc1F)N(C)C 91756818 VPNVVWDTFXHDPI-KRWDZBQOSA-N 332.423 2.694 0 50 EFAA COc1ccc(CNC(=O)C2CCN(C3CCSCC3)CC2)cc1 92933272 XUBJOUGUJGYEGO-UHFFFAOYSA-N 348.512 2.919 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)=O)CC2)C1 91452610 OXOWLQBIMPWRCA-SFHVURJKSA-N 328.456 2.694 0 50 EFAA Cc1cc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)cs1 91845381 PVAQAWZLXMSNPS-UHFFFAOYSA-N 346.500 2.834 0 50 EFAA O=C(c1ccncc1)N1CCC(N[C@H]2CCc3ccccc3C2)CC1 237916780 HANGKDDRQIURQW-FQEVSTJZSA-N 335.451 2.833 0 50 EFAA O=C(Nc1ccc2nncn2c1)[C@@H]1CCCN(Cc2ccccc2)C1 179628465 BOEDAPMTJQUYTO-MRXNPFEDSA-N 335.411 2.580 0 50 EFAA CCc1cccc(OC2CN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)c1 95386719 LZICWFFHLLCFNE-UHFFFAOYSA-N 348.402 2.994 0 50 EFAA COc1ccc([C@H](NC(=O)C2CCCCCC2)[C@H]2C[C@@H](O)C2)cn1 244626537 FNNWGIZELSQWDY-JZXOWHBKSA-N 332.444 2.989 0 50 EFAA Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245256060 NBXANQDWGJQDHF-JOCQHMNTSA-N 347.440 2.863 0 50 EFAA O=C(O)C1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 299750904 OSOOMKMJHROURH-UHFFFAOYSA-N 343.358 2.901 0 50 EFAA COCCCCN1CCN(C(=O)NCc2ccc(C)cc2C)CC1 534655167 AYEYGJJWDLKXGD-UHFFFAOYSA-N 333.476 2.557 0 50 EFAA Cc1ccnc(SCC(=O)N2CC[C@H](Oc3ccccc3)C2)n1 299786536 MYDLFGFQXFTUKU-HNNXBMFYSA-N 329.425 2.557 0 50 EFAA Cc1cc(C)cc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 299800478 WWSGMSRCNQKJHK-UHFFFAOYSA-N 348.454 2.918 0 50 EFAA C[C@@H]1Cc2cc(C(=O)N3CCC(N4CCSCC4)CC3)ccc2O1 299790865 CQSFUOSFCRTNIE-CQSZACIVSA-N 346.496 2.663 0 50 EFAA CCc1nc2cc(NC(=O)CCN3CCCCC3=O)ccc2n1CC 823582650 VVKHSTYCWSEWLQ-UHFFFAOYSA-N 342.443 2.960 0 50 EFAA O=C(COCc1ccccc1)NCC1CCN(Cc2ccoc2)CC1 828023189 ABQBPDKIDXIHTR-UHFFFAOYSA-N 342.439 2.825 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](C(=O)O)C(C)(C)C 670443567 BAOUJNGXRUIPNZ-OAHLLOKOSA-N 344.415 2.717 0 50 EFAA Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C)c2cccnc12 1338105470 RMWMNVOBRSCLKZ-AWEZNQCLSA-N 337.427 2.811 0 50 EFAA CCC1(C(=O)NCC[C@@H]2CCN(Cc3nccn3C)C2)CCCC1 1377717241 WHYVCGNUTXIRRK-MRXNPFEDSA-N 332.492 2.719 0 50 EFAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2cc[nH]n2)C1 952981378 MKNZLZBOQFNIHC-AWEZNQCLSA-N 328.416 2.618 0 50 EFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1c(C)noc1C 952975877 ZHRQOTCFNBUBJJ-GOSISDBHSA-N 327.428 2.697 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCCCC3)C2)cc1 1565507382 REQKAEYWPWZSAW-SJORKVTESA-N 343.471 2.562 0 50 EFAA CNS(=O)(=O)c1cc(C(=O)NCCC2=CCCCCC2)c(C)o1 186012000 OSLUEGKUNYQGBZ-UHFFFAOYSA-N 340.445 2.507 0 50 EFAA Cc1ccccc1CC(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 275444732 SLPGIBROVCLGJX-HNNXBMFYSA-N 329.400 2.644 0 50 EFAA O[C@@H]1CN(c2ncc(C(F)(F)F)s2)C[C@H]1Oc1ccccc1 631421741 OJXDXHFMMGYIKR-GHMZBOCLSA-N 330.331 2.790 0 50 EFAA COC[C@@H](C)n1ccc(NC(=O)CCc2nc(C3CCCC3)no2)n1 186563869 PYIRTICVLFCNQU-GFCCVEGCSA-N 347.419 2.702 0 50 EFAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(C)c(=O)c1 187045429 BOHAZJVZQDNGDL-LRDDRELGSA-N 346.814 2.641 0 50 EFAA CCCC1(CNC(=O)N2CCC(Nc3nccc(OC)n3)CC2)CC1 190250908 AIAFIEPISUORGY-UHFFFAOYSA-N 347.463 2.651 0 50 EFAA Cn1ccnc1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 650099116 ZGELUNKCDLHJKX-SNVBAGLBSA-N 336.189 2.687 0 50 EFAA CC(C)c1nnc2n1C[C@H](N[C@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 194145066 WMYGVPXICAFVFD-TXCZRRACSA-N 330.476 2.654 0 50 EFAA C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc3c2C1 194129735 GOLGPCYGQGXZLH-KPZWWZAWSA-N 339.439 2.691 0 50 EFAA CC(C)=C[C@H]1[C@@H](C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)C1(C)C 681940874 WRRRZVMFKZPCHP-OBQMCRIKSA-N 348.487 2.669 0 50 EFAA Cc1nnc(NC(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)s1 685939161 WILKWZCLTJKLJU-HAQNSBGRSA-N 332.433 2.786 0 50 EFAA O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@H](O)c1ccccc1 755495352 KVVDFALQFGGTIH-INIZCTEOSA-N 331.799 2.667 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(Br)c1 100495254 JJDHAQBGWLIXPE-NGERZBJRSA-N 336.185 2.911 0 50 EFAA O=C(CCOc1ccccc1)N1CCCN(C[C@@H]2CCCCO2)CC1 1198106352 TYCRTFSNAZWFGO-IBGZPJMESA-N 346.471 2.559 0 50 EFAA C[C@@H](C(=O)Nc1ccccn1)N(C)Cc1cc(-c2ccccn2)no1 1529191837 FUYWIKGGINFXLA-ZDUSSCGKSA-N 337.383 2.591 0 50 EFAA CO[C@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1Cc1cc(C)no1 1704356613 HKYVMMMVGIOTRM-MJGOQNOKSA-N 342.439 2.858 0 50 EFAA CCOc1ccc2nc(CN(CCO)Cc3cnc(C)[nH]3)ccc2c1 1704330075 WBASAGJUAGJDGV-UHFFFAOYSA-N 340.427 2.660 0 50 EFAA CN1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3F)C[C@@H]2C1=O 1800414320 NCIUVPACMDEMID-MFKMUULPSA-N 330.325 2.755 0 50 EFAA COc1cccc(C(=O)C2CCOCC2)c1OCCn1ccnc1 1772819635 XSUBSLNQSMRSKR-UHFFFAOYSA-N 330.384 2.580 0 50 EFAA CN1C[C@@H](CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CCC1=O 1772803927 ATMBIBMHTNAMRX-ZDUSSCGKSA-N 344.434 2.750 0 50 EFAA O=C1CCc2c1cccc2C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857695366 GRHFDZASSBIWPQ-CLCXKQKWSA-N 338.451 2.762 0 50 EFAA CC(=O)c1ccc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc1 1875241433 WNZJNEIRBZVYSN-RTBURBONSA-N 337.423 2.546 0 50 EFAA CCN(C(=O)COC(=O)C[C@@H](CN)CC(C)C)C1CCCCC1 408525640 MQVSHPGDYFPLBH-HNNXBMFYSA-N 326.481 2.722 0 50 EFAA COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H]1CCC(=O)N1 130932980 MJZHLQQTEJPRNL-ZIAGYGMSSA-N 338.835 2.831 0 50 EFAA O=c1c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3 13459011 UCAFJBSQKXVPDX-UHFFFAOYSA-N 335.315 2.682 0 50 EFAA biogenic CC[C@@H](C(=O)O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 253428294 JAGDNTQWAHSHLI-MSOLQXFVSA-N 340.423 2.897 0 50 EFAA CCOc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1F 253430773 OAHYVPQPFBBVSG-HNNXBMFYSA-N 330.407 2.773 0 50 EFAA CC(=O)Nc1on[n+](C(C)C)c1[C@@H](O)c1ccc(C(F)(F)F)cc1 22865156 VCDXOQRAEHEDJO-ZDUSSCGKSA-O 344.313 2.602 0 50 EFAA in-vitro O=S(=O)(Cc1nnc2n1CCCCC2)c1ccc(F)c(Cl)c1 378055184 GRRRPRYPUYMFKX-UHFFFAOYSA-N 343.811 2.771 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)CCc2ccccc2O)C1 163721925 RWCQLEUDDJZSBJ-MRXNPFEDSA-N 340.423 2.729 0 50 EFAA O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCCN1Cc1ccccc1 266954159 WYWQUUWICCVPED-OALUTQOASA-N 342.414 2.640 0 50 EFAA c1cnc2c(c1)N1CCC[C@H]1CN(Cc1noc(C3CCC3)n1)C2 934492064 ICLWXLGQYJFSMC-AWEZNQCLSA-N 325.416 2.717 0 50 EFAA Cc1noc2ncnc(N[C@H](C)CN(C)C(=O)C3(C)CCCC3)c12 1120452945 HFATWFAVPAOFDO-LLVKDONJSA-N 331.420 2.765 0 50 EFAA COc1ccc(-c2nc(CCNC(=O)c3ccc(F)cn3)co2)cc1 1142964528 AHQSODQBBWZTEQ-UHFFFAOYSA-N 341.342 2.857 0 50 EFAA COc1ccccc1N1CC[C@@H](Nc2cccc(F)c2C(N)=O)C1 864232698 CRROQIKGWMRQQU-GFCCVEGCSA-N 329.375 2.624 0 50 EFAA CCN(CC)C(=O)N1CCC[C@@H](c2ncc(Br)cn2)C1 952994445 PLNSKVRQMWLROK-LLVKDONJSA-N 341.253 2.880 0 50 EFAA c1ccc2c3c(ccc2c1)OC[C@@H](NCc1nc2c([nH]1)COCC2)C3 1875284041 LQANLOSTOJVLDS-AWEZNQCLSA-N 335.407 2.729 0 50 EFAA CCCN(CCc1ccccn1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875288882 INPZVMVMQFHGPQ-UONOGXRCSA-N 342.443 2.922 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 1875257838 AXPPWZAZCFMRCD-IUODEOHRSA-N 346.435 2.517 0 50 EFAA C[C@H]1CC[C@]2(CN1C(=O)c1cccn3nncc13)OCc1ccccc12 1875297865 GKXIRDXBLLUXNK-VBKZILBWSA-N 348.406 2.780 0 50 EFAA COc1ccccc1CCN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875288792 DHVMNQLUEPTRBQ-QWHCGFSZSA-N 343.427 2.755 0 50 EFAA c1ccc(-c2nc3ccccc3c(=N[C@@H]3COC[C@H]3C3CC3)[nH]2)nc1 1875361278 WHYJKEFCPOYYNY-MAUKXSAKSA-N 332.407 2.951 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCCc2cc(O)cc(F)c2)cc1 1875373763 NZURQCKUQPZZCG-UHFFFAOYSA-N 342.370 2.653 0 50 EFAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NCc1cc3ccccc3[nH]1)C2 888097647 LWMIDCDYPPCOHP-ZRNYENFQSA-N 327.472 2.737 0 50 EFAA C[C@]1(C(=O)NCCc2nc[nH]c2Br)C[C@H]2CC[C@H]1C2 1775987312 ZRWPHQDHFGEMRI-BHDSKKPTSA-N 326.238 2.657 0 50 EFAA CN(C)C(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 139914 LAXXAHXWOITESI-UHFFFAOYSA-N 348.200 2.798 0 50 EFAA C[C@@H]1CN(c2nc3cccc(F)c3n2C)CCN1c1ccncc1 2325761446 FBCMAUNAPAMPDK-CYBMUJFWSA-N 325.391 2.823 0 50 EFAA Cc1ccc2nc(N3CCN[C@@H](c4ccc(O)cc4)C3)sc2n1 2325775468 OYRUIONUOWPABU-OAHLLOKOSA-N 326.425 2.856 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101702662 OBBPNWZEIUKAPI-SDADXPQNSA-N 343.379 2.715 0 50 EFAA CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 245344090 XIXVMFABLUGREH-FPMFFAJLSA-N 343.876 2.725 0 50 EFAA CC[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 815578 YPMJZXOKBZICBI-INIZCTEOSA-N 326.396 2.758 0 50 EFAA COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12 1073419 UQBWACRTJROTBQ-UHFFFAOYSA-N 335.363 2.508 0 50 EFAA 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C[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)n1cccc1 131264624 PXEPSAHKFRTACP-OAHLLOKOSA-N 329.419 2.969 0 50 EFAA Cc1nc(C)c(CCC(=O)N(C)C2CCC(F)(F)CC2)c(O)n1 288236958 OKLASANPAMJVOU-UHFFFAOYSA-N 327.375 2.768 0 50 EFAA CSc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)cc1 426475389 IUMONTQSHWVERV-INIZCTEOSA-N 331.437 2.501 0 50 EFAA CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)c(F)c1)N1CCCC1=O 195129649 QEOZCSVSOSGZOE-KRWDZBQOSA-N 344.390 2.597 0 50 EFAA COCCN(C/C=C/c1ccccc1)C(=O)N[C@@H](C)c1n[nH]c(C)n1 426414792 UZQJFXJIXFRADZ-RNVIBTMRSA-N 343.431 2.546 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 237088566 SPZHQYZKAUJDHQ-CQSZACIVSA-N 329.444 2.566 0 50 EFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1 95509693 HLQPLXZZVFTUEB-FQEVSTJZSA-N 347.422 2.856 0 50 EFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 239439227 ZPWZVFMSXOCGAV-BSXFFOKHSA-N 347.798 2.580 0 50 EFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)C2(Cn3cccn3)CC2)C1 91625864 SNMWLLUMMMWXRG-SFHVURJKSA-N 331.460 2.621 0 50 EFAA 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336.472 2.555 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)NCc1ccc2c(c1)OCCCO2 263892566 YNDIGKSBADVRPD-UHFFFAOYSA-N 330.388 2.520 0 50 EFAA COc1cc(OC)cc(C(=O)NCCc2nc3c(s2)CCC3)c1 299765728 CHLMREQCNMAMCF-UHFFFAOYSA-N 332.425 2.622 0 50 EFAA COc1ccc(NC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1940196227 SXXJBQUJWRWAIZ-CRAIPNDOSA-N 341.411 2.778 0 50 EFAA COC[C@H]1[C@@H](NC(=O)CCCc2ccc(Cl)cc2)[C@H]2CCO[C@H]21 1074575144 ZIYJAMHWIBRANN-MXSMSXNCSA-N 337.847 2.829 0 50 EFAA Cc1cc2nccc(NC(=O)NCc3ncc(C(C)(C)C)o3)n2n1 685943745 QIAUBHLBBWGLNG-UHFFFAOYSA-N 328.376 2.645 0 50 EFAA CCCN1CCN(C(=O)COc2ccccc2[C@@H](C)CC)CC1=O 952973556 LPPSFBYODAHUFS-HNNXBMFYSA-N 332.444 2.660 0 50 EFAA O=C(CC1CCNCC1)Nc1ccc(OC[C@H]2CCCCO2)cc1 952980269 PAWOXKYHVFUCPV-GOSISDBHSA-N 332.444 2.963 0 50 EFAA CN[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 269135035 QCRCQFVDTSJOQH-NSHDSACASA-N 348.859 2.715 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)no1 275667520 PHUHXZYKONTNHO-ZDUSSCGKSA-N 344.415 2.553 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)s1 275774134 XYGSMWBZHWJMOU-ZDUSSCGKSA-N 331.441 2.811 0 50 EFAA C[C@@H]1CCN(C(=O)c2cc(OC(F)F)n(C)n2)c2c(O)cccc21 186322975 DXNVTWLDENFHEF-SECBINFHSA-N 337.326 2.881 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 170601387 VVODOZXVFDTMMV-LKTVYLICSA-N 334.441 2.691 0 50 EFAA CCCCOc1cc(OCCC)ccc1C(=O)NC1CN(C(C)=O)C1 188062083 WXRBHCVWBWPUAS-UHFFFAOYSA-N 348.443 2.615 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)Nc2cc(S(C)(=O)=O)ccn2)cc1C 640552269 DOXBIGOONUZUBA-CYBMUJFWSA-N 347.440 2.985 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cscn2)C1 190533581 ZHBHFKUAGPHYFH-GFCCVEGCSA-N 336.486 2.502 0 50 EFAA O=C(c1ncc(F)cc1F)N1C[C@H]2CCCN2Cc2ccccc21 192194955 ZAMZRLJMFIAKEM-CQSZACIVSA-N 329.350 2.985 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)NCc1ccc2ncccc2c1 194123560 NWRXPEKDDFQQBL-CQSZACIVSA-N 337.427 2.875 0 50 EFAA Cc1cn(C)c(CC(=O)N2CCC[C@H]2C)c1C(=O)N1CCC[C@@H]1C 194701391 IKMXMKDGJHJKPV-CABCVRRESA-N 331.460 2.511 0 50 EFAA Cc1ccnc(C2CCN(C(=O)Cc3ccc4c[nH]nc4c3)CC2)n1 793812283 AZBHLCULJQNMBY-UHFFFAOYSA-N 335.411 2.610 0 50 EFAA Cc1nn(C)c(NC(=O)c2ccc(C)n(C)c2=O)c1-c1ccccc1 1506427730 RWYSJGJIURPNFY-UHFFFAOYSA-N 336.395 2.655 0 50 EFAA CCC1(CC)CN([C@@H](C(=O)O)c2cc(OC)ccc2OC)CCO1 1529125995 JLQIWGMZURIFME-MRXNPFEDSA-N 337.416 2.721 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2ccccc2CC)CC[C@H]1O 1704338893 JMDQXWNHZACPNP-MJGOQNOKSA-N 335.444 2.566 0 50 EFAA C[C@H]1CCCN(C(=O)CN(C)C2CCN(Cc3ccccc3)CC2)C1 121617981 VTPWXGXLKRSVOQ-SFHVURJKSA-N 343.515 2.841 0 50 EFAA O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12385609 VJHAGSXEZYQUBW-IBGZPJMESA-N 348.393 2.716 0 50 EFAA O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 16579916 MBZKLKFCGYJSLU-HNNXBMFYSA-N 343.254 2.817 0 50 EFAA Nc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)s1 17027596 GXLAFMNWVNQKKV-UHFFFAOYSA-N 349.466 2.975 0 50 EFAA OCC[C@H]1CN(Cc2ccccc2F)CCN1Cc1ccccc1 19790871 OPHSZOGWZKRANY-IBGZPJMESA-N 328.431 2.895 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 19837719 OIKOPGAAWFYFQA-CQSZACIVSA-N 327.432 2.816 0 50 EFAA Cc1cc(Br)cc2c1NC(=O)[C@@]2(O)N1CCC[C@@H](C)C1 169679145 WTFTZFREMWHPBP-RFAUZJTJSA-N 339.233 2.587 0 50 EFAA Cc1c(C(=O)N2CC[C@H](N)C2)sc2nc(C(F)(F)F)ccc12 132657454 RAOOWHKQPVBTDD-QMMMGPOBSA-N 329.347 2.797 0 50 EFAA O=C(c1cnc2ccccc2c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 213369116 HNWYBUGOYKWHNN-AEFFLSMTSA-N 349.434 2.708 0 50 EFAA COc1ccc(C(=O)N2CCCN(c3ncc(C)s3)CC2)cc1 225512743 KALABTIQWMXNMP-UHFFFAOYSA-N 331.441 2.813 0 50 EFAA CCc1nnnn1-c1ccccc1NC(=O)[C@H](C)Oc1ccccc1 118741822 YSSCINYDHRKYLJ-ZDUSSCGKSA-N 337.383 2.631 0 50 EFAA Cc1cc(NC(=O)CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)no1 230135215 AJHGKXBCCKRKPR-DFHBCGBQSA-N 329.400 2.772 0 50 EFAA N[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 237936828 SQMOHSXPPNHXJW-LALPHHSUSA-N 326.799 2.506 0 50 EFAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc(F)c2occc12 904446338 ZMJXLOPUCPYACQ-UHFFFAOYSA-N 341.404 2.857 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(C4CC4)no3)C1)CC2 1704327476 DZSWYTMXEBXHEU-IBGZPJMESA-N 338.411 2.771 0 50 EFAA C[C@@]1(C(=O)NCCc2ccc(C(=O)O)cc2)OCCc2ccccc21 908604223 HHOZWHUBUUGDNY-HXUWFJFHSA-N 339.391 2.532 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1cccc(C(=O)O)c1)O2 909118168 ZBLZXECVSAGVFL-KRWDZBQOSA-N 325.364 2.703 0 50 EFAA CC(C)Oc1ccnc(CN2CC(=O)NC[C@@H]2c2ccccc2)c1 933321272 BPRAESMOGXDKTG-GOSISDBHSA-N 325.412 2.542 0 50 EFAA O=C(Nc1noc2c1CCCC2)N1CCN(c2ccccc2O)CC1 934354679 FKWICFXCPBYNGF-UHFFFAOYSA-N 342.399 2.613 0 50 EFAA CO[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3F)nn2)C1 934949849 QUASZUJIAKIERP-GFCCVEGCSA-N 330.363 2.925 0 50 EFAA O=C(c1ccc(OC(F)F)nc1)N1CCC2(CCOCC2)CC1 935883374 WAISAWRGOCFMAX-UHFFFAOYSA-N 326.343 2.716 0 50 EFAA Cc1coc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 843984002 MISPWXRNGBRKBB-LBPRGKRZSA-N 327.384 2.917 0 50 EFAA C=CC(=O)N(C)CC(=O)NCc1c(OC(C)C)ccc2ccccc12 860872468 RNZCJZFVINEWEO-UHFFFAOYSA-N 340.423 2.888 0 50 EFAA CC(C)C(=O)N1CCOC2(C1)CN([C@@H](C)c1ccc(Cl)cc1)C2 952895392 UNCIGWZRZMMNAM-AWEZNQCLSA-N 336.863 2.970 0 50 EFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc(COCC(F)(F)F)cc1 1875270750 LGNMXWLKKMXJDS-ZDUSSCGKSA-N 344.333 2.715 0 50 EFAA Cc1cc(O)nc(CN=c2[nH]c3ccccc3cc2Br)n1 1875338591 CZVYNXFUCCOXOE-UHFFFAOYSA-N 345.200 2.835 0 50 EFAA Cc1ccc([C@]23C[C@@H]2CN(c2ccc(-c4ccnn4C)nn2)C3)cc1 1875395436 XMNBZHBKXJVUBL-OXQOHEQNSA-N 331.423 2.963 0 50 EFAA O=C(N[C@H]1CSc2ccccc21)[C@H]1CC(C2CCOCC2)=NO1 1875300798 QWDCOABRLODGPG-LSDHHAIUSA-N 332.425 2.521 0 50 EFAA CC(=O)NCc1cc(O[C@H]2CCN(C[C@@H]3CC=CCC3)C2)ccn1 886063042 NJEROLORNDURBH-APWZRJJASA-N 329.444 2.527 0 50 EFAA Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886033166 JYIZFNDOOKZUHE-CRAIPNDOSA-N 343.427 2.723 0 50 EFAA COc1cc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(F)cn1 888078052 HZDQIVWTTBBQAC-NVGCLXPQSA-N 334.395 2.771 0 50 EFAA Cc1cc(C(=O)NC2CCN(c3cccc([C@@H](C)O)n3)CC2)c(C)o1 892294072 ZPTSJYPVYRCXLJ-CYBMUJFWSA-N 343.427 2.744 0 50 EFAA CCOc1ccc(-c2nn(Cc3cc(C)cc(C)n3)c(=O)o2)cc1 1775994578 INVRAXLTQAKKJK-UHFFFAOYSA-N 325.368 2.962 0 50 EFAA O[C@@H](c1ncn(Cc2ccc(F)cc2Br)n1)C1CC1 1775989954 HKULDNHDKGODNM-GFCCVEGCSA-N 326.169 2.671 0 50 EFAA COC(=O)c1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC 434230 TVULGKNLOYIDPO-INIZCTEOSA-N 343.335 2.772 0 50 EFAA biogenic c1ccc2c(c1)ncn2-c1ccc(-c2noc(C[C@@H]3CCCN3)n2)cn1 842570513 IIVPZSWYBSZZSF-AWEZNQCLSA-N 346.394 2.765 0 50 EFAA N[C@H](c1cn(Cc2c(Cl)cncc2Cl)nn1)[C@H]1CCCCO1 2325761172 FFJHNWSNUBXMNJ-ZIAGYGMSSA-N 342.230 2.597 0 50 EFAA O=C(O)c1cn([C@@H]2CCCN(Cc3cc(C(F)F)cs3)C2)nn1 2325791888 GKFMRGQGXNQFKT-SNVBAGLBSA-N 342.371 2.813 0 50 EFAA CCNc1nc(NC(C)C)nc(Oc2ccc(C(=O)OC)cc2)n1 68552 PHDWREKEORETJZ-UHFFFAOYSA-N 331.376 2.703 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccccc1Cl 149999 AXEUJXQMRZCTPS-UHFFFAOYSA-N 329.739 2.679 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 263856 CFNQHMFBHNDZDR-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA CC1=CC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)OCC1 2356159518 FCRXZKIELVKJLZ-UHFFFAOYSA-N 335.469 2.791 0 50 EFAA Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3C)nc2n1 2708638 XEOLLMYFIPCWPJ-UHFFFAOYSA-N 327.413 2.780 0 50 EFAA CCCCOCCNC(=O)c1ccc(I)cc1 2872926 ZYFRHNSXLPSTTG-UHFFFAOYSA-N 347.196 2.838 0 50 EFAA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2C)CC1 4841007 QUGMOSFNSHOGRC-UHFFFAOYSA-N 337.423 2.916 0 50 EFAA C[C@@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 4942783 JLZLSAYURDVGSD-TZMCWYRMSA-N 330.359 2.669 0 50 EFAA COc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 4986561 ANBCYFDQADWBPB-UHFFFAOYSA-N 341.392 2.619 0 50 EFAA CCOc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)cc1 8992155 WOIIJSWHWAUTLS-UHFFFAOYSA-N 337.383 2.809 0 50 EFAA COC[C@@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 225635288 UEBZIWTXEHURHV-ZWKOTPCHSA-N 328.412 2.727 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348262039 HZYCCCDEKLSHLV-BDJLRTHQSA-N 343.333 2.789 0 50 EFAA CCN(C)C(=O)CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246775800 RLHAFMHYDMTHNE-GJZGRUSLSA-N 344.377 2.682 0 50 EFAA Cc1nc(N2CCC[C@H]2C(=O)N2C[C@H]3CC[C@H]2C3)nc2ccccc12 104437338 WVGOFGWXTQIGCY-MPGHIAIKSA-N 336.439 2.918 0 50 EFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 248230003 KOURSCDTUDPVQK-MELADBBJSA-N 344.411 2.820 0 50 EFAA CC(=O)N(C)c1ccccc1NC(=O)Cc1cccc(C(=O)O)c1 347359121 GWBQSRLDEUGIQI-UHFFFAOYSA-N 326.352 2.549 0 50 EFAA CC(C)CN1CCC[C@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 67563216 UXBPGOZILLXBEY-CYBMUJFWSA-N 339.867 2.516 0 50 EFAA Cc1ccc2[nH]c(C(=O)O)c(CN(C)Cc3snnc3C)c2c1 67772773 CAJFEFFKEUWZKQ-UHFFFAOYSA-N 330.413 2.966 0 50 EFAA Cc1cc(C(=O)Nc2cccc(O[C@@]34CCCN(CC3)C4)c2)on1 67725872 KDANBKPRFHVPSI-SFHVURJKSA-N 327.384 2.852 0 50 EFAA CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](O)C2CCOCC2)cc1 229747207 GPAAYWDHXOZYEU-GBESFXJTSA-N 331.456 2.817 0 50 EFAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1C[C@@H]2CCC[C@H]2C1 252517440 IOZCSFRAYFEOOU-BZSNNMDCSA-N 326.440 2.940 0 50 EFAA COc1ncccc1C(=O)CSc1nncn1-c1ccccc1 253415886 QDAJRTXVNCYPMR-UHFFFAOYSA-N 326.381 2.646 0 50 EFAA CSc1ncc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)cn1 219859947 MNUYLKJCLFBQRJ-GFCCVEGCSA-N 339.424 2.875 0 50 EFAA CCOC(=O)c1sc2ncn3nc(-c4cc(C)[nH]n4)nc3c2c1C 6265598 OZHITTSIMYUPRL-UHFFFAOYSA-N 342.384 2.523 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)C[C@@H]2CCCN(C)C2)c(F)c1 72423931 PVTJWDDOPXAOIP-CQSZACIVSA-N 346.450 2.998 0 50 EFAA CCc1ccc(S(=O)(=O)Nc2cc(O)ccc2C(=O)OC)s1 253424114 AOPWLQQFYRRPSB-UHFFFAOYSA-N 341.410 2.604 0 50 EFAA CCc1nc2c(N3CCC[C@@H](OCc4ccccn4)C3)ncnc2o1 77452718 LTQDVGBVHKYWBR-CQSZACIVSA-N 339.399 2.761 0 50 EFAA COCc1ccc(C(=O)N2CCc3c(nnn3-c3ccccc3)C2)cc1 366366316 UYILLMUJLPJRRR-UHFFFAOYSA-N 348.406 2.612 0 50 EFAA O=C(NC[C@H](c1cccs1)N1CCOCC1)N1CC[C@@H]2CCC[C@@H]21 487903058 AACZNQRMEHGEHH-HRCADAONSA-N 349.500 2.705 0 50 EFAA CN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1c1ccc(F)cc1 366783418 YNSUAPZROWJZJV-PBHICJAKSA-N 329.375 2.866 0 50 EFAA CCc1cc(N[C@H](CCO)c2ccc(OC)cc2)n2nccc2n1 72429298 XGNZPYNIKHRUMI-MRXNPFEDSA-N 326.400 2.836 0 50 EFAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)C[C@@H]2C=CCC2)CC1 72454207 NVELOWGLSZQERU-OAHLLOKOSA-N 344.411 2.571 0 50 EFAA Cc1cccc([C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C(F)(F)F)c1 332571497 WOYKDCWGXGRTMJ-SMDDNHRTSA-N 338.333 2.638 0 50 EFAA CCc1oc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1C 156578504 WZYUSAGBZNSFAX-CQSZACIVSA-N 328.416 2.681 0 50 EFAA COc1cc(CC2CN(C(=O)c3scnc3C)C2)cc(OC)c1 370098374 VWPLYCVUDDUDFE-UHFFFAOYSA-N 332.425 2.783 0 50 EFAA Cc1cc(C2CCN(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)n[nH]1 332787607 GYTSTSRAUHMYIG-UOVPBQLFSA-N 344.503 2.838 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2cn3ccccc3n2)CCCN1CC1CC1 71753318 RUILJHUMRABNTB-SFHVURJKSA-N 340.471 2.917 0 50 EFAA Cc1ccsc1S(=O)(=O)N1CC(C)(C)[C@H]1c1nccn1C 333139583 YMCFLZTWXNMMAK-LLVKDONJSA-N 325.459 2.562 0 50 EFAA Cn1ccnc1N1CCC(Nc2ncnc3ccc(F)cc23)CC1 240551631 GVAGUVPBPZBIST-UHFFFAOYSA-N 326.379 2.583 0 50 EFAA C[C@@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)ncn2)C1 334136618 YWYNIQSPVMFKKC-OLZOCXBDSA-N 344.846 2.857 0 50 EFAA COc1ccc(Cl)cc1NC(=S)N1CCC2(CC1)OCCO2 13784720 DPNUBAFLZBXGRX-UHFFFAOYSA-N 342.848 2.884 0 50 EFAA Cc1onc(-c2ccncc2)c1C(=O)N[C@@H]1CN(C)Cc2ccccc21 378273689 BXSPOLGJOASFQP-QGZVFWFLSA-N 348.406 2.962 0 50 EFAA CN(C)c1nc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)cs1 72431593 DJBGWXCHCSHPQD-UHFFFAOYSA-N 347.484 2.843 0 50 EFAA Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1 77137495 RPPBBUIUHOXMRC-UHFFFAOYSA-N 339.443 2.536 0 50 EFAA Fc1ccc(CC[C@H]2CCCN(CCCn3cnnn3)C2)c(F)c1 72135188 QUPMSQNNZDAHIU-CQSZACIVSA-N 335.402 2.686 0 50 EFAA Cc1cc2cc(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)ccc2o1 223770365 YFBWXGUZKLIIMS-JFUPDXTOSA-N 339.395 2.717 0 50 EFAA Cc1ccc2c(c1)C[C@@H](C(=O)NCc1cn3c(C)csc3n1)N2 222543805 PYPUDOFQVKHYQR-HNNXBMFYSA-N 326.425 2.666 0 50 EFAA Cc1ccc(F)cc1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 223129045 TWTDSNWEOXVWCL-QZTJIDSGSA-N 335.419 2.767 0 50 EFAA Cc1cc(C)nc(CCNC(=O)CCC(=O)c2ccc(F)cc2)n1 221441966 SNUADMUYJCMNBA-UHFFFAOYSA-N 329.375 2.554 0 50 EFAA Cc1cccc([C@@H]2CCCN(C(=O)CCCN3CCOCC3)C2)c1 220616344 CEJAANSCSRFFOZ-LJQANCHMSA-N 330.472 2.813 0 50 EFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1Br 143744072 HPKRRHAKRSMEKJ-OQMKEHIESA-N 348.196 2.590 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CCO1 238198014 VQOSAIUJWAJVGH-CYBMUJFWSA-N 331.393 2.731 0 50 EFAA O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H]1CCCN1 178789063 AXNZYVFDPNYPQP-VIFPVBQESA-N 341.889 2.936 0 50 EFAA Cc1ccc(C(C)(C)NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)cn1 330834547 WDABWRYEKNLRPX-LBPRGKRZSA-N 328.460 2.970 0 50 EFAA O=C(N1CCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1 91451987 WJTLLQBEZCIJTH-UHFFFAOYSA-N 339.443 2.722 0 50 EFAA O=C(c1ccco1)N1CC[C@@]2(O)CCN(C3CCCCC3)C[C@H]2C1 91655829 WJABUPPQIICPPS-KXBFYZLASA-N 332.444 2.511 0 50 EFAA CCc1csc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)n1 95366365 HGAMGEDFNXKSKC-CYBMUJFWSA-N 333.457 2.827 0 50 EFAA CCN(C(=O)Nc1cccc(-c2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 96139431 NVXIYCZYFQTUAI-OAHLLOKOSA-N 348.424 2.988 0 50 EFAA CC[C@@]1(CO)CCCN(CCC(=O)NCc2cccc(Cl)c2)C1 91494560 IDVUPUPNYVDPMT-GOSISDBHSA-N 338.879 2.831 0 50 EFAA Cc1cc([C@@H]2CCCN2CCC(=O)Nc2nnc(C3CC3)s2)on1 244828524 TXTDOUOJHUWJRV-LBPRGKRZSA-N 347.444 2.878 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@H](CO)CC3)c12 294527106 LHZCBTTXMJMZRJ-AWEZNQCLSA-N 330.428 2.730 0 50 EFAA COCCN1C[C@@H](Cc2cc(C(F)(F)F)ccc2OC)CC1=O 244723570 MDWVXFXEDROYDP-NSHDSACASA-N 331.334 2.751 0 50 EFAA CCCc1cc(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)no1 295151607 DFQPBWMYCWDWBV-AWEZNQCLSA-N 326.755 2.883 0 50 EFAA CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253500197 ZBHPCFVWCHWDCE-FKGJNOFZSA-N 347.499 2.786 0 50 EFAA biogenic O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccncc1F 184167959 OJTVUWQLOLBPKW-INIZCTEOSA-N 342.418 2.907 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 299739591 QLOCCCUICTWGMR-VXGBXAGGSA-N 330.350 2.670 0 50 EFAA CCn1nnc(C)c1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 298905139 CCGUBCSWPAFZMJ-AWEZNQCLSA-N 344.415 2.807 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(CCc1nc3ccc(C)c(C)c3[nH]1)CC2 299795216 KMFAZQWKAZIVTG-RIFZZMRRSA-N 343.471 2.727 0 50 EFAA Cc1cc(C)n(CC2(CNc3cc([C@H]4CCOC4)nc(C)n3)CC2)n1 299774496 JPUDXTOVWVLWNE-INIZCTEOSA-N 341.459 2.995 0 50 EFAA Cn1c(O)nc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1=O 1339631246 ZVYKASXTOBBSQK-UHFFFAOYSA-N 348.406 2.717 0 50 EFAA NC(=O)N1CCC[C@H]1C(=O)N(CCc1ccccc1)C1CCCC1 952971148 FTDPTHAJJTZBHU-KRWDZBQOSA-N 329.444 2.543 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccccc2-n2cncn2)c1C 952968082 ALTZKVZZYWOCRV-UHFFFAOYSA-N 348.366 2.718 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)c1 1565530248 PPCWMSZOFXXONV-HOTGVXAUSA-N 343.427 2.604 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3ncnc4ccsc34)C2)N1CC1CC1 1565509423 OEDQXPMNGPPSQS-OLZOCXBDSA-N 328.441 2.529 0 50 EFAA CCCN(C(=O)Nc1ccc(C(N)=O)cc1C)[C@H]1CCCC[C@@H]1O 1565525165 PXPYAPHECBLAPD-HOTGVXAUSA-N 333.432 2.641 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc3nnc(C(F)F)n3n2)C1 269055230 RNUGNZLBNAUVJZ-BADDSXTQSA-N 343.403 2.554 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCO1 271695974 SVIUJVRNCCCLCQ-MJGOQNOKSA-N 345.487 2.719 0 50 EFAA COc1cc(OC)cc([C@@H](O)CNc2nc(CC(C)C)ns2)c1 185443921 DETZBVKJBUIOJM-AWEZNQCLSA-N 337.445 2.899 0 50 EFAA CC1(N2CCCC2)CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1 633964699 ONJAYOMSIUYVRS-UHFFFAOYSA-N 328.416 2.760 0 50 EFAA CN(C)Cc1ccc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 187263961 VPFLNZXZNNKYPO-LJQANCHMSA-N 345.487 2.849 0 50 EFAA Nc1ccc(CC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)nc1 638468606 LELNBNKVJYDPBJ-ZDUSSCGKSA-N 331.366 2.891 0 50 EFAA C[C@@H](OC[C@@H]1CCCO1)c1nc(-c2[nH]nnc2-c2ccccc2)no1 1775987677 QZOGTGYIMOQUBE-YPMHNXCESA-N 341.371 2.778 0 50 EFAA CCOC(=O)CN(C(=O)c1ccoc1Br)C(C)(C)C 193822360 AAGCWFWKKMHKJP-UHFFFAOYSA-N 332.194 2.846 0 50 EFAA COc1ccc(Br)c(C(=O)N[C@@]2(C)CCCOC2)c1 221699613 CXRDHJZKFJARFC-AWEZNQCLSA-N 328.206 2.757 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2cc(F)ccc2Cl)C[C@H]1O 1704308919 SYQCQYUTUWMXGB-ZBFHGGJFSA-N 329.799 2.917 0 50 EFAA O=C(Cn1ccnn1)Nc1ccc(C(F)(F)F)c(Br)c1 225557565 HTUKFYMXPGHSPM-UHFFFAOYSA-N 349.110 2.698 0 50 EFAA 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341.407 2.806 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)OCCNC(=O)c1cccnc1 4012895 WKZICURASUDNMI-UHFFFAOYSA-N 342.439 2.961 0 50 EFAA CCC(CC)NC(=O)[C@@H]1CN(Cc2ncccn2)c2ccccc2O1 225399310 LBXAPQDXWXRQDB-KRWDZBQOSA-N 340.427 2.549 0 50 EFAA CCNc1nc(C)c(C(=O)N(Cc2ccco2)[C@@H](CC)CO)s1 55091048 YMFADULHRRUBMW-LBPRGKRZSA-N 337.445 2.890 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)[C@H]1CCCO1 246466396 VFZYQOSVJWVWSP-DZOHQFGASA-N 332.444 2.852 0 50 EFAA CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1 20426632 JHXOFWXXCUNRAV-UHFFFAOYSA-N 341.758 2.771 0 50 EFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C)cc(F)c2)C1 347955146 VNIJHRILOREZDR-UONOGXRCSA-N 346.324 2.806 0 50 EFAA COc1ccc2[nH]cc(CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)c2c1 100871059 DYZJVQCGVPQLLA-GASCZTMLSA-N 326.396 2.894 0 50 EFAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cccc(Cl)n2)C1=O 55054148 FTFGDIDEBQEOSE-CQSZACIVSA-N 346.770 2.592 0 50 EFAA COC(=O)[C@H](Cc1c(C)cc(C#N)cc1C)NC(=O)OC(C)(C)C 118870512 HYORTKXZQBJJBT-HNNXBMFYSA-N 332.400 2.784 0 50 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CN(Cc1noc(-c2ccco2)n1)C[C@H]1COc2ccccc2O1 244734776 NLQYVRHPHPXGJH-LBPRGKRZSA-N 327.340 2.601 0 50 EFAA O=C(NCc1cc2ccccc2[nH]1)N1CC[C@H](N2CCCCC2)C1 264501199 RKKLIXURJYCPNX-KRWDZBQOSA-N 326.444 2.938 0 50 EFAA CC(C)[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ncnn1C 299777167 AOUMLSRCXZSOQZ-AWEZNQCLSA-N 340.349 2.890 0 50 EFAA C[C@H](NC(=O)CCc1csc(N)n1)c1nc2c(s1)CCCC2 299781908 DFVAKADOCWCMNW-VIFPVBQESA-N 336.486 2.871 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2ccccc2-c2nc[nH]n2)on1 821483329 GOTLGKBBOHLTHH-UHFFFAOYSA-N 325.372 2.588 0 50 EFAA COc1ccc2cc(C(=O)NCc3ccco3)sc(=O)c2c1OC 824519478 NLRPRMRHOWKEAC-UHFFFAOYSA-N 345.376 2.802 0 50 EFAA COc1ccc(CNC(=O)N(C)C[C@@H](C)CN2CCCC2)cc1F 584885492 IHXUIHDEGDFQAS-CQSZACIVSA-N 337.439 2.708 0 50 EFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)NCCCn2ccccc2=O)C1 584886192 PSIKEEUJSLXLSU-DNVCBOLYSA-N 331.460 2.849 0 50 EFAA COc1cccc([C@@H](C)NC(=O)N2CCN(C(=O)CC(C)C)CC2)c1 670470276 GOZOMKXGCCLSGG-OAHLLOKOSA-N 347.459 2.656 0 50 EFAA CC[C@H](NC(=O)N(CC)CCOc1ccc(C)cc1C)C(=O)N(C)C 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327.413 2.887 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)nc1 191135701 SBOVGUJSMHQJOF-CYBMUJFWSA-N 338.285 2.683 0 50 EFAA Cc1cnc(OC2CCN(C(=O)c3ccc(C)cc3F)CC2)nc1 655257509 KSQMIUOMHBNIGC-UHFFFAOYSA-N 329.375 2.916 0 50 EFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 470387 XKFFTCGNXULCEZ-UHFFFAOYSA-N 331.802 2.989 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCN12 1529187706 XTKIDAUGLNGVIY-UONOGXRCSA-N 340.826 2.804 0 50 EFAA Nc1nccc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1 1704325749 MSBJJECOGJKFOO-UHFFFAOYSA-N 335.411 2.609 0 50 EFAA Cc1cnc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)[nH]1 1772805423 KMTJLTIWNXCECN-ZWKOTPCHSA-N 338.455 2.556 0 50 EFAA Cc1ccc(-n2nnnc2S[C@H](C)C(=O)NC2CCCC2)c(C)c1 5414690 OWWYQUJCDCTMQF-CYBMUJFWSA-N 345.472 2.819 0 50 EFAA O=C(O)c1nnn(-c2ccc(Br)cc2)c1-c1ccncc1 11730677 ZUHDZRLLABJXIF-UHFFFAOYSA-N 345.156 2.790 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)s1 11764217 DTMKTRAXVWZOAN-CYBMUJFWSA-N 335.473 2.813 0 50 EFAA O=C(CSc1nncc(=O)[nH]1)N(c1ccccc1)c1ccccc1 11905428 AUIRNJBDBDXZCR-UHFFFAOYSA-N 338.392 2.622 0 50 EFAA C[C@@H](CNCc1cccnc1N(C)C)Cc1ccc2c(c1)OCO2 12590026 MMZGEDJNTOSLSA-CQSZACIVSA-N 327.428 2.845 0 50 EFAA O=C(NCc1cccs1)[C@H]1CC12CCN([C@H]1CCSC1)CC2 14988508 IOGCICZYFAAWJY-DZGCQCFKSA-N 336.526 2.972 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccc(F)cc3)n[nH]c21 1857529269 FALFCIFFYSSHAO-NEPJUHHUSA-N 347.390 2.722 0 50 EFAA COc1ccc2ccccc2c1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669358 VVNZPALNYBYHNL-OXJNMPFZSA-N 327.424 2.679 0 50 EFAA Cc1nn(C)c2c1[C@H](NC(=O)CCc1ccc3c(c1)OCO3)CCC2 1857693103 ICWGEEMKEKNURZ-CQSZACIVSA-N 341.411 2.584 0 50 EFAA CN1C(=O)CCO[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]21 1857737944 KJVIKCIXMJANNZ-PMACEKPBSA-N 336.435 2.785 0 50 EFAA C[C@@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 408524039 XAHCWEICYIZBDZ-MFKMUULPSA-N 339.233 2.870 0 50 EFAA Cn1cc(Oc2ccccc2C(=O)N2[C@H]3CC[C@H]2CC(O)=NC3)cn1 328675077 KKCVHFGRQAHPTK-STQMWFEESA-N 340.383 2.546 0 50 EFAA CCc1ccc([C@H]2CN(C(=O)Nc3ccnc(C)n3)CCO2)cc1 331890887 XLGUTQOCPPXKDS-MRXNPFEDSA-N 326.400 2.953 0 50 EFAA Cc1nn(-c2ccc(C(=O)N[C@@H]3C[C@@H]3C)cc2)c(C)c1CCC(=O)O 237650050 YAICJQKKQGQRAS-APPDUMDISA-N 341.411 2.645 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CSc1ccc(Cl)cc1)C2 248064952 VVEFDOWPWYCIGM-YPMHNXCESA-N 338.860 2.511 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(F)c(COCC2CC2)c1 136487680 YISYUZQLFGVRQT-MRXNPFEDSA-N 335.375 2.832 0 50 EFAA COc1nc(C)cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1 680621144 OMYGECOBPBDJJQ-UHFFFAOYSA-N 346.456 2.562 0 50 EFAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1F 263237321 SWBNLTFKKVRUNC-CYBMUJFWSA-N 337.372 2.607 0 50 EFAA C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2Cc1ccc(C(=O)O)c2cccnc12 903911892 RTCZOHWGKUKPBM-OUENDJJVSA-N 326.396 2.667 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1nccnc1C1CC1)CO2 906413119 SJLSIVZVRYEPGE-CYBMUJFWSA-N 325.368 2.552 0 50 EFAA CC(C)(C)OC(=O)CCC(=O)NCCn1cncc1-c1ccccc1 864049070 GOAOKBXZRGSZGS-UHFFFAOYSA-N 343.427 2.788 0 50 EFAA COc1ccccc1[C@@H](C)N(C)C(=O)Cn1nc(C)c2cccnc21 1875271774 ODTTUIBVZIFVGI-CQSZACIVSA-N 338.411 2.968 0 50 EFAA O=C(c1cnn(-c2nccs2)c1)N(CC1CC1)c1cccnc1 1875259071 VPMNDISEJCLAAN-UHFFFAOYSA-N 325.397 2.781 0 50 EFAA Cn1nc(C2CCC2)cc1NC(=O)N1CCC[C@H](CCC(=O)O)C1 1875279209 DBICNBKIBXYCNA-GFCCVEGCSA-N 334.420 2.796 0 50 EFAA Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H]2c2ccccc2)ccc1N 1875313574 PMMJBIFYAFCEBC-DOTOQJQBSA-N 337.423 2.826 0 50 EFAA O=C(Cc1ccc(Br)c(Cl)c1)N[C@@H]1CCC[C@H]1CO 1875325664 SBPNZYVLRWXGKY-GXFFZTMASA-N 346.652 2.922 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(NC(=O)C(C)C)c2)CC1 1875365669 NJWPOSDYQFIYIQ-UHFFFAOYSA-N 343.427 2.644 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(=O)N[C@H]2CC[C@H]21 1875307635 HDOHBURISPFQNC-DOTOQJQBSA-N 336.395 2.552 0 50 EFAA Cc1nsc(C)c1CN1CCC(c2ncc(C(=O)N(C)C)o2)CC1 888103220 QNVDMSGGCOCHPY-UHFFFAOYSA-N 348.472 2.829 0 50 EFAA COc1ccc2[nH]ccc(=N[C@@H]3CCCN(c4ncccn4)C3)c2c1 891893219 LGHPEEAFFMMQMV-CQSZACIVSA-N 335.411 2.536 0 50 EFAA CC[C@H](C)NC(=O)CN1CCC2(CC1)CCN(Cc1ccccc1)C2 378300994 DRDOMQHQMGORGB-SFHVURJKSA-N 343.515 2.889 0 50 EFAA C[C@]1(CC(=O)N(Cc2ccncc2)Cc2cccnc2)CCCO1 2325776549 XZLMSJSPBYCWTJ-LJQANCHMSA-N 325.412 2.965 0 50 EFAA Cc1cc([C@@H](NC(=O)c2cnn3c2CCC[C@@H]3C)C(=O)O)ccc1F 2325793527 YULQBWDDYHVBHA-MEDUHNTESA-N 345.374 2.784 0 50 EFAA CCC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1C 456384 QYTHHGJKQHZLFQ-UHFFFAOYSA-N 339.424 2.952 0 50 EFAA CC(=O)NC1=NN(C(C)=O)C(c2ccccc2)(c2ccccc2)S1 1096496 TVMAJSACFRXSBY-UHFFFAOYSA-N 339.420 2.890 0 50 EFAA Nc1cncc(-c2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2)n1 2356138723 QLZNSOJZJDSKAS-MRXNPFEDSA-N 332.363 2.589 0 50 EFAA COc1cc(NC(=O)c2ccccc2OC)c(C(=O)O)cc1OC 4825491 PJCMZTSHOULJIS-UHFFFAOYSA-N 331.324 2.663 0 50 EFAA CCOc1cc(CNc2nnnn2C)ccc1OCc1ccccc1 4998013 DMRNLQWLIZBCOS-UHFFFAOYSA-N 339.399 2.800 0 50 EFAA CCN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 245466687 RLBZUFKRTIEEAF-ZDUSSCGKSA-N 347.278 2.783 0 50 EFAA CNC(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 225501568 PMTMXPDVOQGKJL-MAUKXSAKSA-N 346.377 2.632 0 50 EFAA CC(C)c1ccc(N2CC[C@H](c3nc(C[S@](C)=O)no3)C2=O)cc1 225596208 BBLWINVAUJTHRS-SHACYNPGSA-N 347.440 2.592 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 9356023 DRWZZUVQIFDCPC-AWEZNQCLSA-N 346.452 2.809 0 50 EFAA Cc1cc2ccccc2n1CCC(=O)NCCCc1nnc(N)s1 55072973 JEBQINWQUTUCFE-UHFFFAOYSA-N 343.456 2.523 0 50 EFAA O=C1c2ccccc2C(=O)N1CCCNc1cnn(-c2ccccc2)c1 345400379 KDVRQBMHFRALOQ-UHFFFAOYSA-N 346.390 2.971 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 65382516 QLHJFYLMJVCROT-INIZCTEOSA-N 340.427 2.822 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)COCc1cccc(OC)c1 247923038 YMSQVQJQVSBODY-RBUKOAKNSA-N 346.471 2.687 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2)c1 248165751 ZSLSOKYNNYSTII-VQTJNVASSA-N 341.499 2.981 0 50 EFAA CCn1cc(NC(=O)Cn2cc(-c3cc4ccccc4o3)cn2)nn1 23339811 NFCVGZNZNHOAFM-UHFFFAOYSA-N 336.355 2.546 0 50 EFAA C=Cc1cccc(CN2CCC[C@H](CNS(=O)(=O)C(C)C)C2)c1 67981791 GPBOZZQTPZSSLV-GOSISDBHSA-N 336.501 2.869 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3nc(C)ns3)[C@@H](C)C2)cc1 63834550 RRKAZSVPJHTBSM-LBPRGKRZSA-N 331.445 2.898 0 50 EFAA COc1nc2ccccc2cc1CN1CCC[C@@H](CNC(C)=O)C1 67805980 ZSMBYRGLIAMKSG-HNNXBMFYSA-N 327.428 2.592 0 50 EFAA CN(c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1)S(C)(=O)=O 65361854 ADRCVFVPCCDOED-UHFFFAOYSA-N 340.351 2.613 0 50 EFAA CCC[C@H](NC(C)C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 354092205 NTIZYXFCXBQRKR-KRWDZBQOSA-N 332.492 2.642 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n1 280956140 MUUJDWYEHNRNKD-GXTWGEPZSA-N 346.456 2.617 0 50 EFAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@H]2c1ccccc1 4708284 KFTREWYYLIVIIC-ZDUSSCGKSA-N 344.374 2.660 0 50 EFAA CCN(C)[C@H](C(=O)N1CCC[C@@H](c2noc(C)n2)C1)c1ccccc1 229562028 FZXIFGWPXJVEMQ-SJORKVTESA-N 342.443 2.777 0 50 EFAA c1ccc2c(c1)CCO[C@H]2Cn1ccnc1-c1cc2n(n1)CCCNC2 72423986 YLADDMNBNAOHCM-IBGZPJMESA-N 349.438 2.554 0 50 EFAA FCCn1ncnc1CN1CCC(Oc2ccc(F)cc2F)CC1 281457086 MBVIUIULISRBJH-UHFFFAOYSA-N 340.349 2.569 0 50 EFAA 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329.385 2.642 0 50 EFAA O=C(NC[C@H](CO)Cc1ccco1)c1cc(-c2ccccc2)on1 96137340 CLQUXXPJKKIRLR-CYBMUJFWSA-N 326.352 2.516 0 50 EFAA CCc1c(C)cc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)c(=O)n1C 97657223 ZAGPFSJTAYQLDA-MRXNPFEDSA-N 346.471 2.677 0 50 EFAA CN(C)Cc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)o1 97784852 YBYUYTMOWATYQN-CYBMUJFWSA-N 327.306 2.770 0 50 EFAA Cc1cccc(N2CCC(N3CC[C@]4(CCCNC4=O)C3)CC2)c1C 91663620 GXKLQZGLYQDSQA-OAQYLSRUSA-N 341.499 2.874 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 95361994 AWBYQXGEEKTBHQ-GOSISDBHSA-N 340.467 2.752 0 50 EFAA CCCc1nc(C)cc(N2CCC(N3CCC[C@H](O)CC3)CC2)n1 95505330 BXVLPXIFPDLKJQ-KRWDZBQOSA-N 332.492 2.553 0 50 EFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cn2cccnc2n1 91365204 PEQMENWSZQWBAW-CQSZACIVSA-N 346.390 2.966 0 50 EFAA CN1CCCCC[C@@H]1C(=O)NCCCN1CCCc2ccccc21 91411382 BXFCMBGQDIYBND-LJQANCHMSA-N 329.488 2.820 0 50 EFAA CN1CCC(Cc2noc([C@H](c3cccnc3)N3CCCC3)n2)CC1 95355619 LRBIMEPUWCQGOJ-SFHVURJKSA-N 341.459 2.534 0 50 EFAA 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EFAA C[C@H](Oc1cccc2ccccc12)C(=O)NCc1csc(=O)[nH]1 193268406 JZMRVGNYRALLSX-NSHDSACASA-N 328.393 2.673 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506417490 KMZKUJIWMFRDLG-QGZVFWFLSA-N 334.441 2.868 0 50 EFAA C[C@H]1CN(C2CCN([C@H]3CCN(c4ccccc4)C3)CC2)C[C@@H](C)O1 1506421256 NUELCJHTNQANCV-UEXGIBASSA-N 343.515 2.839 0 50 EFAA C[C@@H]1CCCN(C[C@@H](O)c2ccc(Br)cc2)[C@@H]1CO 222052195 OJIMPFIRGYHUMJ-KCPJHIHWSA-N 328.250 2.575 0 50 EFAA COc1cc(-c2onc(NC[C@@H]3CCCO3)c2C(=O)O)ccc1F 1704335310 CWXADGDGYMRNDV-JTQLQIEISA-N 336.319 2.778 0 50 EFAA CCOc1cccc(C(=O)N2CCCN(c3ccncc3F)CC2)c1 1772813583 IMBHVMBASBLXHP-UHFFFAOYSA-N 343.402 2.972 0 50 EFAA O=C([C@H]1CCOC1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 11785021 QIEMGWXWTCFWKA-IRXDYDNUSA-N 339.439 2.743 0 50 EFAA CCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 13944533 GGPJWIYFAHXCRS-LLVKDONJSA-N 330.413 2.716 0 50 EFAA CC(C)CC(=O)N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19315747 OJDWWJSHQZGKCJ-GXSJLCMTSA-N 331.671 2.614 0 50 EFAA CCOC(=O)CNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 6439105 LFGFLVZJONQZEF-JLHYYAGUSA-N 339.391 2.958 0 50 EFAA Cc1nc(C(C)C)oc1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1857528431 KNADOFUVVWRXDR-PWSUYJOCSA-N 346.431 2.792 0 50 EFAA COc1cc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)ccn1 1857675215 OIRQKFGZMOLJHK-UHFFFAOYSA-N 338.415 2.585 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCC(C2CCNCC2)CC1 1857671807 QYGPPQJCPYTTOT-UHFFFAOYSA-N 328.456 2.863 0 50 EFAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)ccn1C 1857697286 NJHZAVXNKUKVGU-DSKINZAPSA-N 338.451 2.932 0 50 EFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCc2ncnn2C1 1857722018 CEDAPMSCZQEBEG-JTQLQIEISA-N 339.226 2.772 0 50 EFAA COC[C@H]1CCCN(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)C1 113362406 HFJVLRTYUOJDKJ-HNNXBMFYSA-N 343.431 2.774 0 50 EFAA CN(Cc1ccc(Cl)cn1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328628070 GXPRDOCWXPLALC-RDJZCZTQSA-N 349.841 2.569 0 50 EFAA C[C@H](C(=O)N1CC[C@H](C(=O)O)C1)c1ccc(Br)s1 237413281 JVEWFJLSUYUOAD-YUMQZZPRSA-N 332.219 2.547 0 50 EFAA CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 11842709 AHBIUUZOYAOHHI-KRWDZBQOSA-N 349.519 2.524 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(O)n1 241810026 SCNCWKXRVGDFHP-WDNXAPGXSA-N 346.452 2.750 0 50 EFAA O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(c2cc(NCC3CC3)ncn2)C1 340080654 SBNGURXBALKJIT-CJNGLKHVSA-N 346.381 2.889 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c(C)c1 340688589 VWCKZOLVAYGDJE-SFHVURJKSA-N 336.435 2.927 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1ccccc1 263016970 XTRKMVVPRCAPNW-ZWKOTPCHSA-N 339.391 2.530 0 50 EFAA CCOc1ccc([C@@H](O)C2CCN(c3nc(C(=O)O)co3)CC2)cc1 844212591 JLELLAUNDMLCAB-MRXNPFEDSA-N 346.383 2.722 0 50 EFAA Cc1ccccc1CC[S@@](=O)Cc1nn(C)cc1Br 1875279304 OMBBTGLYSQRCGR-LJQANCHMSA-N 341.274 2.982 0 50 EFAA O=C(CCc1ccc2c(c1)CCO2)NC[C@@H]1COc2ccccc2C1 1875265194 XTCKKLUOKADDQD-MRXNPFEDSA-N 337.419 2.922 0 50 EFAA Cc1nc(C(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)c2ccnc-2[nH]1 1875301738 RSWWYYIVQMLSTE-AEGPPILISA-N 338.798 2.939 0 50 EFAA COc1ccc(F)cc1[C@H](C)NC(=O)c1c[nH]nc1C1CCOCC1 886088554 ZONXLYPJILMYEY-NSHDSACASA-N 347.390 2.942 0 50 EFAA CCc1ccc([C@@H](C)c2nnc(COC3CN(C(C)=O)C3)o2)cc1 888076754 ZJJCZGJHBBSLJT-GFCCVEGCSA-N 329.400 2.531 0 50 EFAA Clc1cnc(NCC2(n3cc(Br)cn3)CC2)nc1 896159480 HABPNTRTRPZOFP-UHFFFAOYSA-N 328.601 2.690 0 50 EFAA CCOC(=O)C(F)(F)[C@]1(O)CCCN(C(=O)CCCC2CC2)CC1 1775999324 SDGYAQADCHYAKP-INIZCTEOSA-N 347.402 2.509 0 50 EFAA COc1cccc(C2=CCN(C(=O)Cn3ncc4cc(C)cnc43)C2)c1 897658454 GXXRKENCZJWGHB-UHFFFAOYSA-N 348.406 2.674 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)sc1Cl 263474152 FANJYXBISZKHSG-BDAKNGLRSA-N 337.850 2.584 0 50 EFAA CC(C)(NC(=O)c1coc([C@@H]2CCCN2)n1)c1nc2ccccc2[nH]1 2325774921 HACMXISCBUGSIA-ZDUSSCGKSA-N 339.399 2.641 0 50 EFAA CCOC(CN=c1nc(-c2ccncc2)[nH]c2ccccc12)OCC 2325775559 IIFSQKLZGJYESV-UHFFFAOYSA-N 338.411 2.925 0 50 EFAA O=C(COC[C@@H]1CCCO1)N1CCC[C@@H]1c1cc(F)cc(F)c1F 2325783752 ZBOGHSZPTNTXCN-SWLSCSKDSA-N 343.345 2.963 0 50 EFAA 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Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(F)cc2F)n1 612780 JDIIEURFVGBJAI-UHFFFAOYSA-N 329.310 2.565 0 50 EFAA CC(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C 1062474 QOMQEUQOUGCOGI-UHFFFAOYSA-N 336.395 2.504 0 50 EFAA COc1ccc(-c2onc(NCCCn3ccnc3)c2C(=O)O)cc1 2356151072 PXBKDQLODNHRTL-UHFFFAOYSA-N 342.355 2.747 0 50 EFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(c2ncccc2C(F)(F)F)C1 2356156196 WGORBRJTGLKHDI-INIZCTEOSA-N 349.360 2.787 0 50 EFAA COc1ccc(OC)c(NC(=O)C(=O)NCCC2=CCCCC2)c1 2989924 FJRDUTUJDYZDDF-UHFFFAOYSA-N 332.400 2.649 0 50 EFAA CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 3823565 JACAAXNEHGBPOQ-LLVKDONJSA-N 337.379 2.543 0 50 EFAA investigational Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225678653 MKOPFUZAFISAKB-LSDHHAIUSA-N 330.359 2.948 0 50 EFAA CO[C@H](C)c1nc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cs1 246078003 DRFFXWMZHQZMCU-MRVWCRGKSA-N 346.518 2.638 0 50 EFAA Cc1cc(CN2CCN(Cc3ccccc3)C[C@@H](O)C2)ccc1F 108257561 CTTRXWWDOUUWLN-LJQANCHMSA-N 328.431 2.813 0 50 EFAA 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Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)ccc1C(=O)N(C)C 253433263 UWLQVMPWAJHGKW-XKQJLSEDSA-N 329.444 2.556 0 50 EFAA Cc1nnc([C@H]2COCCN2Cc2c(F)c(F)c(F)c(F)c2F)o1 328597095 DJLNVIZPBZKQCR-MRVPVSSYSA-N 349.259 2.647 0 50 EFAA O[C@H](CNc1ncnn2c(Br)ccc12)c1ccccc1 328597635 IGSOGOJMXJGLAZ-GFCCVEGCSA-N 333.189 2.637 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@](O)(CN(C)C)C2)c1 72427319 OKTAKJXXYRTMFK-FQEVSTJZSA-N 342.487 2.582 0 50 EFAA COCCn1c(C)cc(C(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)c1C 241435191 NLNLCMBHGPBVBA-FXAWDEMLSA-N 348.487 2.561 0 50 EFAA COC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC(C)(C)O1 285573338 SELGZFHJEKJIBA-NSHDSACASA-N 346.349 2.675 0 50 EFAA O=C1N(CC2CCOCC2)C(O)=N[C@]1(c1ccccc1)C(F)(F)F 330442310 FCWGCNARKMGMFB-HNNXBMFYSA-N 342.317 2.627 0 50 EFAA Cc1c(C(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)nnn1C 281621399 YBAFPOOZPGHXMR-OAHLLOKOSA-N 338.333 2.600 0 50 EFAA C/C(=C\c1ccccc1)CN1CCC(C(=O)O)(n2cccn2)CC1 72421109 CPCRSKQZTPDPMG-JQIJEIRASA-N 325.412 2.862 0 50 EFAA CC1(C)CC(n2ccnc2-c2cc3n(n2)CCCNC3)CC(C)(C)N1 72448009 DAOSAOCEYPRRTA-UHFFFAOYSA-N 342.491 2.722 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCO[C@H](c2cnn(C)c2)C1 375143563 WEVXRWZSPOQBEC-SFHVURJKSA-N 339.395 2.617 0 50 EFAA COc1ccc([C@@H](NC(=O)OCC(F)(F)F)c2nccn2C)cc1 365110373 LSHMCOZAVZYJJF-GFCCVEGCSA-N 343.305 2.807 0 50 EFAA CC(=O)c1ccc(N2CCN(CC3CCCCC3)[C@H](CCO)C2)nc1 72454375 JIQDTTUQFMVPAZ-LJQANCHMSA-N 345.487 2.738 0 50 EFAA O[C@H](Cc1ccccc1)CN1CCC(O)(Cc2ccccc2F)CC1 365866181 XAJHQYDVXXWZJE-LJQANCHMSA-N 343.442 2.799 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccc(C(F)(F)F)cn2)n1 331918012 NUNORBLMZLJHTB-RNCFNFMXSA-N 342.321 2.754 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cscn3)CC2)OC1=O 77470688 CHSUOMUPCJSICR-GFCCVEGCSA-N 337.445 2.759 0 50 EFAA C[C@H](OCC(=O)N1Cc2ccccc2C2(CC2)C1)c1nccn1C 376379348 YCMXUTDSXYIUKJ-AWEZNQCLSA-N 325.412 2.572 0 50 EFAA Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 174556243 NMJLROONOBXMFY-HNNXBMFYSA-N 343.471 2.724 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 158891337 WGRQCKFSTNRQRP-OAHLLOKOSA-N 325.412 2.946 0 50 EFAA Cc1ccccc1C1=CCN(C[C@H](O)COC2CCOCC2)CC1 374608657 CYJISKJQPJSSCZ-SFHVURJKSA-N 331.456 2.641 0 50 EFAA O=C1CC[C@@]2(CCCN(CCOc3ccccc3)C2)CN1C1CC1 77439509 AXPUAWYEUHSDFV-HXUWFJFHSA-N 328.456 2.932 0 50 EFAA Cc1oc(CNC(=O)[C@@H]2SCCc3sccc32)cc1C(=O)O 262940235 HQWHIMSGJPJZIT-CYBMUJFWSA-N 337.422 2.995 0 50 EFAA CC(C)N1C[C@@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O 77516934 PLIBBEYUPOIOKA-SFHVURJKSA-N 342.483 2.943 0 50 EFAA O=C(Nc1ccc2c(n1)CCC2)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 333957836 ILAKFPSKKQALSE-MHDGFBEUSA-N 326.318 2.865 0 50 EFAA CCc1cc(N(C)Cc2ccc(OC)c(OC)c2)n2nccc2n1 72420525 VSBPTZJFRXKCGT-UHFFFAOYSA-N 326.400 2.945 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1C(=O)[C@H]1CSCCS1 242191334 XESVLSDXBCTGDD-CHWSQXEVSA-N 325.503 2.805 0 50 EFAA NC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 237834580 ZXRYKRBMMSRDMN-QWHCGFSZSA-N 328.334 2.638 0 50 EFAA Cc1cc(NC(=O)NCC2(S(C)(=O)=O)CC2)cc(C)c1Cl 283020970 OCBCORMTXNFGIO-UHFFFAOYSA-N 330.837 2.656 0 50 EFAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccnc3c2nnn3C)o1 283113615 YIFMWEVHGAZACT-FZMZJTMJSA-N 339.399 2.878 0 50 EFAA CCc1c(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)csc1C 72409938 PISUEDIZDLFURW-UHFFFAOYSA-N 347.440 2.532 0 50 EFAA CC(C)c1ccccc1OC[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241470621 NWOPXYWEFHYWKR-DJIMGWMZSA-N 343.423 2.501 0 50 EFAA Cc1nn(C)cc1CNC[C@H](CO)Cc1ccccc1C(F)(F)F 339509443 WSAWAZINOSVMFQ-CYBMUJFWSA-N 341.377 2.688 0 50 EFAA COC[C@@H](NC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccc(C)o1 175682864 IJOALZSYIFRBTJ-OAHLLOKOSA-N 332.404 2.588 0 50 EFAA CC1(C)CC[C@H]1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 286819697 ATHHKELXAMKNDK-MRXNPFEDSA-N 347.434 2.872 0 50 EFAA O=C(NC[C@H](CO)c1ccccc1)c1cnc(-c2ccccc2)nc1 176500880 NVKNXHXPUUGCNQ-GOSISDBHSA-N 333.391 2.650 0 50 EFAA Cc1cnn(CC2CCN(C(=O)c3onc4c3CCCC4)CC2)c1 426738963 AVVSKYXHNHMKCV-UHFFFAOYSA-N 328.416 2.611 0 50 EFAA C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccccc1-n1cccn1 177123957 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C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)COCc2nccn2C)C1 669247972 VIJQSBVJMNMYON-XJKSGUPXSA-N 331.391 2.686 0 50 EFAA C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccccc1Cl 189614645 NVQLEJDYLUXNPH-GFCCVEGCSA-N 331.803 2.895 0 50 EFAA CC(C)(C)n1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)nn1 191079532 FPXFMWNKRMUARM-UHFFFAOYSA-N 345.422 2.889 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2cnc(C(C)C)s2)(C(=O)O)C1(C)C 193026271 QAUUJQICNGZMGL-BDJLRTHQSA-N 340.445 2.655 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 195304456 CGCAHYRPUGGRLM-GDBMZVCRSA-N 348.468 2.548 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 656847584 IHUNULHEWSGRGP-UANNBLPKSA-N 338.162 2.799 0 50 EFAA N[C@H]1C[C@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 662831761 PDIMGLNPUHUSTB-AULYBMBSSA-N 342.361 2.860 0 50 EFAA CN1C[C@@H](NC(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)C(C)(C)C1 1652492266 WJGKPLZXJUXRHN-QGZVFWFLSA-N 337.427 2.628 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529196478 AKPVTIGEYAFXFE-IEBWSBKVSA-N 328.460 2.511 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(Cc2cc(C3CCCCC3)no2)C1 1529133699 AFCVEYZPBHPAKH-AWEZNQCLSA-N 340.489 2.979 0 50 EFAA CCc1cc(N[C@H](C(=O)NC)c2ccccc2)nc(N2CCCC2)n1 1704299210 NYGRKHGURWMXBB-KRWDZBQOSA-N 339.443 2.538 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CCC(F)(F)F)C1)CC2 1704339120 DWXKKULIPNLVPG-HNNXBMFYSA-N 328.382 2.775 0 50 EFAA Cc1nsnc1C(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 1775982886 ZNEDVZRPBPWERD-GFCCVEGCSA-N 331.376 2.839 0 50 EFAA CCCOc1ccccc1-c1nnc(N2CCCN(C(C)=O)CC2)o1 1772704037 IBQZYNAJVSMWEN-UHFFFAOYSA-N 344.415 2.584 0 50 EFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1Cc1cccnc1 12308267 LTDXMMHCKOZATG-LJQANCHMSA-N 347.422 2.870 0 50 EFAA COc1ccc(CC[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 12593513 CTAFUINMBRFUCF-KRWDZBQOSA-N 327.428 2.763 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCO[C@H](CC2CCCCC2)C1 12593844 WXSPAWQCVDBBLB-QGZVFWFLSA-N 336.476 2.587 0 50 EFAA COc1ccc(OCC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 19790212 PBKHHRZNDMYTFT-UHFFFAOYSA-N 346.471 2.797 0 50 EFAA O=C(NCC1(CO)CCOCC1)C1(c2ccc(Cl)cc2)CCC1 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418105468 WCMBGRLUPNUNNJ-OAHLLOKOSA-N 339.867 2.716 0 50 EFAA Cc1ncc(C(F)(F)F)cc1C(=O)N[C@@H]1CCNCC(C)(C)C1 634765102 KAJJMSLWNKXLDD-GFCCVEGCSA-N 329.366 2.917 0 50 EFAA Cc1cc(S(=O)(=O)N2CCCCCCC2)cc(C(=O)O)c1F 127603273 FZNYBVHCHXPLKF-UHFFFAOYSA-N 329.393 2.787 0 50 EFAA Cc1nn(C)c(Cl)c1CN1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 248033771 LZDSMDWANWFDQH-ZBFHGGJFSA-N 337.826 2.871 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CC(C)(C)c2ccccc21 248701910 GKYGXKLOCMBVID-VBQJREDUSA-N 332.444 2.590 0 50 EFAA COc1coc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)cc1=O 252497432 QHKLEEKVKWAHMQ-LJQANCHMSA-N 327.380 2.761 0 50 EFAA O=C(NCc1cccc(-n2ccc(C(=O)O)n2)c1)c1ccsc1 373550356 VFWTTYILUMHQJY-UHFFFAOYSA-N 327.365 2.562 0 50 EFAA Cc1coc(-c2cccc(NC(=O)N[C@]34CCC[C@H]3CNC4)c2)n1 904372870 IPKIQLOAWMQWOE-KSSFIOAISA-N 326.400 2.914 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(Cl)cc3F)C[C@@H]12 1704300728 VNUSLCOQJMZMDA-IAGOWNOFSA-N 326.843 2.758 0 50 EFAA O=S(=O)(c1ccco1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 907523031 DHBUGWIGNUAUNJ-KRWDZBQOSA-N 331.393 2.909 0 50 EFAA Cc1cc(C(=O)O)cc(C(=O)N(C)CCc2ccc3c(c2)OCO3)c1 910620544 OJHZAQVMGIPXRF-UHFFFAOYSA-N 341.363 2.737 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)C12CCC(C(=O)O)(CC1)CC2 911377432 ZTWQKAKNJVBILS-VNCLNFNDSA-N 331.412 2.570 0 50 EFAA O=C(NCC[C@]1(O)CCCOC1)c1ccnc2cc(Cl)ccc12 824090464 YSCYULKZXTUIBP-QGZVFWFLSA-N 334.803 2.550 0 50 EFAA O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc2cnccc2[nH]1 930334322 XGHOTGRIAJORCY-UHFFFAOYSA-N 348.406 2.615 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@]2(c3ccccc3)CCCO2)c1C 931717022 CEMRVDGGALIKKS-LJQANCHMSA-N 327.428 2.842 0 50 EFAA CCc1ccc([C@@H]2CNCCN2C(=O)c2nc(C)n3ccccc23)cc1 844194553 BATBMTIXIWPZKP-IBGZPJMESA-N 348.450 2.992 0 50 EFAA Cc1nc(CN2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C)oc1C 947426870 SYOYWDAWZIXCCH-LRDDRELGSA-N 331.460 2.951 0 50 EFAA CC(C)OC[C@@H]1CN(Cc2sncc2Br)CCO1 952881821 JWXIXPCILCUWEO-JTQLQIEISA-N 335.267 2.531 0 50 EFAA CSc1ccc(-c2noc([C@@H](c3cccnc3)N(C)C)n2)nc1 952876502 SXNZCBMCNKMBDV-CQSZACIVSA-N 327.413 2.900 0 50 EFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccnc(OC(C)C)c3)[C@H]2C)o1 886085024 VHJVGRHWKDUIHJ-WFASDCNBSA-N 344.415 2.969 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H](C)c2nccnc2C)cn1 886079909 CEHMBKQBCJGAER-RLFYNMQTSA-N 329.448 2.820 0 50 EFAA COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886035032 RSTZCBJEKAOORR-CZUORRHYSA-N 349.818 2.856 0 50 EFAA C[C@@H](NC(=O)Cn1c(O)nc2ccccc21)c1ccc2c(c1)CCO2 887335194 UCJRFXFVVUBNDI-GFCCVEGCSA-N 337.379 2.554 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@]4(CO)CCC[C@@H]34)cc2)n1 899444144 FURLROWNLNXDBR-UYAOXDASSA-N 339.439 2.866 0 50 EFAA Cc1ccc(NS(C)(=O)=O)cc1-c1cccc2c1OCC[C@H]2N 2325773378 QXSQDQLWOFXCHR-MRXNPFEDSA-N 332.425 2.816 0 50 EFAA Cc1nc([C@H]2CCNC2)sc1C(=O)Nc1ccc2cc[nH]c2n1 2325796053 PLVRIGWYHSNMNN-NSHDSACASA-N 327.413 2.657 0 50 EFAA CC[C@H](C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1nn[nH]n1 2325808283 MOPXEPLFIZRUCK-WMZOPIPTSA-N 347.422 2.868 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 249030 MHTPZQVFOKGNBV-UHFFFAOYSA-N 335.381 2.707 0 50 EFAA COC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)cc1 471900 SCZASIZDMLGERT-UHFFFAOYSA-N 338.315 2.937 0 50 EFAA CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1 798390 PRELEZAKWQYWPB-UHFFFAOYSA-N 333.428 2.991 0 50 EFAA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 1068048 NWSLMJAYZDILSI-UHFFFAOYSA-N 327.384 2.591 0 50 EFAA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H]2CCCC[C@H]2C1 245266887 KNUMYPWPQPYLBT-YCPHGPKFSA-N 329.444 2.625 0 50 EFAA CC(=O)N(C(C)=O)c1cccc2c(N(C(C)=O)C(C)=O)cccc12 4956096 KCXBYGOQXHYBHI-UHFFFAOYSA-N 326.352 2.639 0 50 EFAA COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1OC 8014217 NJXTVYAUIUVGBO-JTQLQIEISA-N 342.351 2.676 0 50 EFAA biogenic,in-vitro COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740216 ZHCHGLUBULKTCY-HNNXBMFYSA-N 332.444 2.596 0 50 EFAA C[C@H]1CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC(C)(C)C1 344079416 YGYAZWSGFOPALN-CQSZACIVSA-N 331.460 2.695 0 50 EFAA CN(Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H]1CCC[C@H]1O 348555592 NXTIBVJKXHLLSW-HUUCEWRRSA-N 341.242 2.919 0 50 EFAA O=C(CN1CCC[C@@H]1c1ccccc1)NC[C@H]1Cc2ccccc2O1 247802835 WVVQZRBKWYSVEZ-RTBURBONSA-N 336.435 2.943 0 50 EFAA C[C@@H](NC(=O)CCN(C)Cc1n[nH]c2c1CCC2)c1ccccc1 67513763 WZZLMQFSYSLFHZ-CQSZACIVSA-N 326.444 2.598 0 50 EFAA CCOC(=O)CN1CCN(c2nc3c(C)ccc(F)c3cc2C)CC1 65374502 QWLWPJVVCZXOCW-UHFFFAOYSA-N 345.418 2.676 0 50 EFAA COC(=O)c1ccc(OC(F)F)c(I)c1 39951782 PHGNCRCKEXWDPQ-UHFFFAOYSA-N 328.052 2.679 0 50 EFAA in-vitro Cc1ccc(CN2CC[C@H](CNC(=O)Cc3ccccn3)C2)cc1C 67755128 PLQIHZVTJMNVKL-LJQANCHMSA-N 337.467 2.879 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67910035 URGQBRWSZYJJTC-OAHLLOKOSA-N 330.476 2.881 0 50 EFAA CCOC(=O)N1CCN(Cc2nc(-c3cccs3)oc2C)CC1 20541353 LHHKNBINENJLBP-UHFFFAOYSA-N 335.429 2.986 0 50 EFAA COc1ccccc1[C@@H]1C2=C(COC2=O)Nc2cc3c(cc21)OCO3 8773051 RCKSBYLQHHJHPP-KRWDZBQOSA-N 337.331 2.792 0 50 EFAA Cc1c(CN2CCC[C@H](CCNS(C)(=O)=O)C2)[nH]c2ccccc12 67947487 QPTDZAIAHACBQH-OAHLLOKOSA-N 349.500 2.628 0 50 EFAA CCc1nnc(CN[C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)o1 253392952 LCKWJGOOISXZQZ-VQIMIIECSA-N 342.443 2.708 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)CCO1 252497861 DYJXKUJKSPNJJV-ZMYBRWDISA-N 346.446 2.641 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1C[C@H]1c1ccccc1 67947370 MAAJYRUKPSXDDR-JKSUJKDBSA-N 334.379 2.894 0 50 EFAA C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@@H]1O 252537744 MFKRVRCBSCFGLY-ONERCXAPSA-N 343.254 2.801 0 50 EFAA CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1 3623447 FULAPETWGIGNMT-UHFFFAOYSA-N 336.409 2.563 0 50 EFAA biogenic,in-man CSc1nc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2ccccn12 119567299 IRDKGDGRRUOAQR-FZKQIMNGSA-N 345.468 2.823 0 50 EFAA COc1ccccc1[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1 71422385 KHRCTIWTMYGWGG-KRWDZBQOSA-N 346.452 2.867 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)c3ccn(CC)n3)C2)CCC1=O 77344045 STCURXDNHUMJEO-IBGZPJMESA-N 346.475 2.548 0 50 EFAA COc1cc(CNC(=O)c2csc(C3CC3)n2)ccc1C(=O)O 153669153 APCRRLRERCRZPQ-UHFFFAOYSA-N 332.381 2.657 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1 77303871 SMSYETLYFAEJFG-SFHVURJKSA-N 338.407 2.850 0 50 EFAA COC(=O)c1ccc(F)cc1NC(=O)N1CCC(c2ccn[nH]2)CC1 153700963 CABFLULFTGFGDQ-UHFFFAOYSA-N 346.362 2.747 0 50 EFAA CC(C)C(=O)N1CCC(N2CC[C@@H](c3ccc(C(=O)O)cc3)C2)CC1 72147820 NXVXJHKIJCKUCO-QGZVFWFLSA-N 344.455 2.821 0 50 EFAA Cc1nn(CCC(=O)N[C@H]2CC[C@H]2NC2CCCCC2)c(C)c1C 72479801 YKIQSENLJUNKLM-MSOLQXFVSA-N 332.492 2.768 0 50 EFAA CCCCCCN1CC2(CCN(C(=O)c3ncoc3C)CC2)OC1=O 77321045 RZTVTXVBMKMTPJ-UHFFFAOYSA-N 349.431 2.990 0 50 EFAA COc1cccc(OC)c1CC(=O)N1CCC[C@H](OCC2CC2)C1 366676782 DGRBQCUHLNIFSQ-HNNXBMFYSA-N 333.428 2.664 0 50 EFAA Cc1ccc(O)c(CN2CCC[C@@H](Cc3nnc4ccccn34)C2)n1 368676250 NECJTIZUIWRNQA-HNNXBMFYSA-N 337.427 2.593 0 50 EFAA Cc1nc(CN2CC(=O)N(C)[C@H](C)C2)oc1-c1ccc(Cl)cc1 282291186 SDXZTXWCDLZXKN-LLVKDONJSA-N 333.819 2.966 0 50 EFAA O=C(Nc1ccc2nc(S)oc2c1)[C@H]1CCCN(C(=O)C2CC2)C1 158428109 NFINTMGKQBZKSM-NSHDSACASA-N 345.424 2.704 0 50 EFAA Cc1nc2c(C(=O)N3CCO[C@](C)(c4ccccc4)C3)ccnc2[nH]1 369702027 HDADROHIUHCFIP-IBGZPJMESA-N 336.395 2.654 0 50 EFAA O=C(c1ccc(O)nc1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261982392 WOWDXUUEZHRTPL-HNNXBMFYSA-N 343.452 2.633 0 50 EFAA CN1C[C@@]2(CCCN(c3noc(-c4ccccc4)n3)CC2)OC1=O 72149153 VRFAPITWDOVCRN-KRWDZBQOSA-N 328.372 2.548 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)N[C@H]1CCCc2c(F)cc(F)cc21 333062121 ILRRAOJVMFRVOG-WBMJQRKESA-N 345.411 2.831 0 50 EFAA CC(C)(C)c1nc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)cs1 333503269 HZUVKOOVMAAQKY-SNVBAGLBSA-N 335.433 2.632 0 50 EFAA O=C1OC2(CCN(C[C@H]3CCCO3)CC2)CN1CCc1ccccc1 77288133 JEUPSOFJDKDZJH-GOSISDBHSA-N 344.455 2.695 0 50 EFAA Cn1c(C(=O)NCc2cn3c(n2)SCC3)ccc1-c1ccccc1 215235284 ZTKGSQNAGGQDBT-UHFFFAOYSA-N 338.436 2.924 0 50 EFAA COc1ccc(F)cc1CN1CCC([C@H](C)N2CCN(C)CC2)CC1 77470691 IOIUQEWHRQXILW-INIZCTEOSA-N 349.494 2.682 0 50 EFAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc3c(Cl)ccc(Cl)c3n2)C1 284457528 HDYSFYMQAJVJCV-UFBFGSQYSA-N 340.210 2.621 0 50 EFAA CCOc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C 285307580 SQEWQUAIOLHHQE-KBPBESRZSA-N 340.851 2.530 0 50 EFAA COC[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)CC(C)(C)O1 285490323 MHPNEKOOTYOOLW-GFCCVEGCSA-N 345.798 2.510 0 50 EFAA COc1cnc2ccccc2c1C(=O)NC[C@](C)(O)c1ccc(C)o1 242106335 WIUHFDHFKOOOBX-IBGZPJMESA-N 340.379 2.782 0 50 EFAA O=C(C1=COCCO1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 131554213 BEBHWGCTWVRUAB-DLBZAZTESA-N 331.412 2.770 0 50 EFAA O=C(CSc1nc(O)cc(=O)[nH]1)Nc1c(Cl)cccc1Cl 17072048 HGICTQZYDKXZTR-UHFFFAOYSA-N 346.195 2.513 0 50 EFAA Cc1ncsc1CCCNC(=O)N(C)CCc1c(C)n[nH]c1C 426396084 YZWXYJAIJWUMBN-UHFFFAOYSA-N 335.477 2.608 0 50 EFAA O=C(N[C@@H]1CCc2[nH]ncc2C1)c1csc(-c2cccs2)n1 82126586 YWRBJSRFIIGMGG-SNVBAGLBSA-N 330.438 2.882 0 50 EFAA CCOc1cccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1 426534993 APXYXMXOFIMHRR-VDZJLULYSA-N 333.428 2.884 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnc(-c4ccco4)nc3)[C@H]2C1 426551809 MJUDCJNEUXLXIR-VDZJLULYSA-N 343.427 2.895 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)n1 95372696 LZTATWVTWYNCIA-ZDUSSCGKSA-N 347.802 2.792 0 50 EFAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)COC(=O)O2 97819438 AMJIBFPGFWAQMF-ZDUSSCGKSA-N 333.384 2.595 0 50 EFAA Cc1nnc(SCCCNC(=O)N2CC(c3ccncc3)C2)s1 426412816 VHOMWTJBFRYPHL-UHFFFAOYSA-N 349.485 2.533 0 50 EFAA CC(=O)c1cc(CN2CCN(Cc3ccccc3F)C(=O)C2)cs1 97797423 MCQBFWLVGMBKPO-UHFFFAOYSA-N 346.427 2.934 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 244773775 PGEVTCYHLGBXMR-STXHMFSFSA-N 335.407 2.734 0 50 EFAA Cc1ccc(C)c(CS(=O)(=O)Cc2nnc(C3CCC3)n2C)c1 181000420 NFBLORHKUNOJHH-UHFFFAOYSA-N 333.457 2.814 0 50 EFAA O=C(NCC[C@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 181570168 IMXWGZSOGYRSHX-QZTJIDSGSA-N 344.455 2.614 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)CN2Cc1c(-c2ccccc2)nc2ncccn12 1073414431 OJZHCAFFNMWIOT-AEFFLSMTSA-N 347.466 2.922 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1cc(C2CC2)on1 181901773 PFSGSOYUBUPPJA-CYBMUJFWSA-N 338.722 2.900 0 50 EFAA COC(=O)C[C@H](c1ccncc1)c1oc2ccccc2c(=O)c1O 253411407 OOLNFDNEFALSHW-CYBMUJFWSA-N 325.320 2.589 0 50 EFAA biogenic Cc1ccc(Br)c(NC(=O)N2CC[C@@H]([C@@H](C)O)C2)c1 183952328 HLIZCJXDTVFEIT-GHMZBOCLSA-N 327.222 2.992 0 50 EFAA Cc1oc2ccccc2c1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299743073 JUQLTRFTLJJYBK-CHWSQXEVSA-N 326.318 2.837 0 50 EFAA O=C(NC[C@H]1CCCO1)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 534662672 LAKUNYUCUACPQD-LJQANCHMSA-N 348.406 2.843 0 50 EFAA COc1ccc2c(c1)CC[C@@H](NCCCOC1CCN(C)CC1)C2 534656645 TVIBPKPABNPDOT-GOSISDBHSA-N 332.488 2.643 0 50 EFAA C[C@H]1CN(C(=O)NCCc2csc(-c3ccncc3)n2)C[C@@H](C)O1 534670915 FWHXSNBNFNXIJX-BETUJISGSA-N 346.456 2.566 0 50 EFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N(C)Cc2nccs2)c1C 299785161 JNTDSUHVBYDYAZ-JTQLQIEISA-N 334.445 2.769 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3c[nH]c4ccccc34)[C@H]2C1 299799780 SHJSSRZRLOJGPH-ZAAXVRCTSA-N 342.439 2.895 0 50 EFAA C[C@@H](NCc1c(-c2ccccc2)nc2ccccn12)c1nncn1C 494789042 XNTNALJNHJMMSP-CQSZACIVSA-N 332.411 2.981 0 50 EFAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cccc2cccnc12 828176576 UUYUCJJTYZWKMI-UHFFFAOYSA-N 332.323 2.793 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)NCc2cncn2C2CC2)c1 584904088 QVEJAPRDTNXBGG-AWEZNQCLSA-N 327.432 2.694 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1c1cc(N2CCSCC2)ncn1 408172290 UYHWRQVCOXAOPG-OWCLPIDISA-N 348.516 2.550 0 50 EFAA C[C@H](NC(=O)[C@@H](C)n1nnnc1C(C)(C)C)c1ccc(F)cc1F 272189059 FHOKCUXSFDVZDE-VHSXEESVSA-N 337.374 2.687 0 50 EFAA Cc1cc(Br)cn(CCOCC(F)(F)C(F)F)c1=O 170088043 RLXYMWKXMSSHJI-UHFFFAOYSA-N 346.118 2.836 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 170613563 ZHAGVMWOSOTVIW-QGZVFWFLSA-N 335.363 2.818 0 50 EFAA CCN1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1=O 170605364 CFLBTRPBYNKOID-UHFFFAOYSA-N 343.349 2.878 0 50 EFAA Cc1nnc(S)n1CCNC(=O)CC12CC3CC(CC(C3)C1)C2 170644547 NAOYPOPJTHBSGB-UHFFFAOYSA-N 334.489 2.598 0 50 EFAA CC(C)C[C@@]1(c2nc(C3(c4ccncc4)CCC3)no2)CCNC1=O 632168940 DWJRJDSEQPYZRU-IBGZPJMESA-N 340.427 2.738 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)NCCc2c(C)cccc2C)C[C@H]1C 191165063 MAJNLBHCRIKKHX-NVXWUHKLSA-N 332.444 2.687 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)cn1 681781951 RCPHTSYEFFWAEJ-SNVBAGLBSA-N 346.353 2.775 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)N(CC(F)F)c1ccc(F)cc1 193862293 OYQXXVVKBMGJBB-UHFFFAOYSA-N 341.333 2.853 0 50 EFAA Cc1nc(C(C)(C)NC(=O)c2ccc(OCC(=O)O)cc2)sc1C 659759850 WNYNUIKBEROQJL-UHFFFAOYSA-N 348.424 2.888 0 50 EFAA C[C@H]1CCCCN1Cc1ccccc1CNC(=O)C1(C(=O)O)CCC1 663105729 VLOXYVDVLHDLTE-HNNXBMFYSA-N 344.455 2.932 0 50 EFAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(N2CCOCC2)c(C)c1 1506401428 DHQCNDHWKSEOCP-SFHVURJKSA-N 346.471 2.863 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)COc2ccc(F)cc2)C[C@@H]1O 210352288 HZFFVIYRPRECHJ-HOTGVXAUSA-N 349.427 2.951 0 50 EFAA C[C@@H]1CCCN(C(=O)NCc2nn(C)cc2Br)CC1 331574727 ZCGIWRBWGUWLDR-SNVBAGLBSA-N 329.242 2.514 0 50 EFAA O=C(CCCN1CCCC1=O)N[C@@H]1CCCN(C2CCCCCC2)C1 11932815 NHGGKWLIOHXXAK-QGZVFWFLSA-N 349.519 2.692 0 50 EFAA COc1cccc(CC2=NO[C@@H](C(=O)NCc3cccc(F)c3)C2)c1 12042061 YUADUPCVGWLZDG-GOSISDBHSA-N 342.370 2.838 0 50 EFAA CCCNC(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12470577 IPOSFWLLJHLNNU-INIZCTEOSA-N 325.412 2.650 0 50 EFAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 16602618 RHOKYJQEKNSDTH-LBPRGKRZSA-N 326.387 2.723 0 50 EFAA O[C@H](COCc1ccccc1)CN1CCN(c2ccccc2F)CC1 19809561 YWPZLCUKMWLIJV-SFHVURJKSA-N 344.430 2.525 0 50 EFAA O=[S@](c1ccccc1N1C[C@H]2C[C@@H](O)CC[C@H]2C1)C(F)(F)F 1857532822 DPSHFEWMQSLPHI-NLMLSSAPSA-N 333.375 2.911 0 50 EFAA CCN(CCNC(=O)[C@@]1(C)CC12CCNCC2)c1cccc(C)c1 1857692438 DSUMLRYCZBUXIY-LJQANCHMSA-N 329.488 2.717 0 50 EFAA Cc1nc(S(=O)(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)cn1C 123865057 GEPGTNOXHONDCJ-QWRGUYRKSA-N 337.470 2.807 0 50 EFAA CN(C)C(=O)Cc1ccc(NC(=O)CCCc2nccs2)cc1 225801090 OEIYMNYSBQTMFP-UHFFFAOYSA-N 331.441 2.735 0 50 EFAA COc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 121931634 JWYPGYBZPYKULQ-UHFFFAOYSA-N 332.743 2.932 0 50 EFAA CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](CSc2ccccc2)C1 252494148 NMFMDNWHTCCTBR-ZFWWWQNUSA-N 349.500 2.710 0 50 EFAA CCN1CC[C@H](NC(=O)c2ccon2)[C@H]1c1cc(F)c(F)c(F)c1 253370967 YVHBDLWMYYXWNA-SWLSCSKDSA-N 339.317 2.657 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)NCc1ccc(C(=O)O)cc1 263486967 PSXWIHKMALIDGN-ZDUSSCGKSA-N 340.379 2.878 0 50 EFAA Cc1cc(C(=O)NCc2nc3ccccc3n2C)nn1[C@@H](C)C1CC1 390833766 MRBJCURUABFNLF-ZDUSSCGKSA-N 337.427 2.979 0 50 EFAA CCc1nc(NC(=O)c2ccc(OC)c(OCCO)c2)sc1C 390833927 OXYYEZUJDGYEDN-UHFFFAOYSA-N 336.413 2.646 0 50 EFAA CN1CCC[C@]2(CO)CCN(C(=O)CC(C)(C)c3ccccc3)C[C@@H]12 1704305011 QBMGIFAKBBIUFL-WIYYLYMNSA-N 344.499 2.660 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC[C@H](n2ccnn2)C1 823241379 XUPZNPKBKLFWSH-KRWDZBQOSA-N 333.395 2.817 0 50 EFAA CC[C@H]1c2ccccc2CN1C(=O)Nc1cc(S(C)(=O)=O)ccn1 932166995 HCVNOQNJQHJVQO-HNNXBMFYSA-N 345.424 2.984 0 50 EFAA Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@H]43)cc12 935760957 CVOYTLYMTXAZQY-IWIIMEHWSA-N 335.201 2.613 0 50 EFAA O=S(=O)(c1ccccc1)C1CC(NCc2noc3c2CCCC3)C1 864086070 BFCWUIMTXUMORV-UHFFFAOYSA-N 346.452 2.648 0 50 EFAA O[C@@H]1C[C@@H](Nc2ccc(Nc3ccccc3)nn2)C12CCOCC2 952891072 VILREOKMONADOM-HUUCEWRRSA-N 326.400 2.562 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C[C@]23CNC[C@H]2C3)C1 952891431 DQYXAKIWLNPHPK-UTKZUKDTSA-N 336.483 2.866 0 50 EFAA CC(C)(C)c1cc(=O)n(C[C@@H](O)c2ccc(OC(F)F)cc2)cn1 952846924 BZMWSVVZMJMFJP-CYBMUJFWSA-N 338.354 2.876 0 50 EFAA COc1ccc2c(N[C@@H]3CCN(c4cnn(C)c4)C3)cc(C)nc2c1 1875294359 GBDXTNHQLHWMGS-CQSZACIVSA-N 337.427 2.976 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 1875267383 RKZBKHYXPMEIEH-INIZCTEOSA-N 349.412 2.757 0 50 EFAA CC(=O)N1Cc2ccc(NCc3ccnn3[C@H]3CC3(F)F)cc2C1 1875284777 MBLSMQSQASNMEK-INIZCTEOSA-N 332.354 2.937 0 50 EFAA CS(=O)(=O)c1cc(COc2cccc(Oc3ncccn3)c2)co1 1875341728 FGDCKMUTMBPYFL-UHFFFAOYSA-N 346.364 2.844 0 50 EFAA CCc1[nH][nH]c2ncnc(=NCC3(O)CCC(C(C)(C)C)CC3)c1-2 1875358944 NYLPITQABBWULU-UHFFFAOYSA-N 331.464 2.668 0 50 EFAA O=C1Nc2ccccc2CC[C@@H]1n1cc(C2(O)CCCCC2)nn1 881328656 JDXOUDOUTZOFPH-HNNXBMFYSA-N 326.400 2.556 0 50 EFAA CCN1C(=O)C[C@@H](CN[C@H](C)CCc2ccco2)[C@@H]1c1nccn1C 886066015 JWZXPGDZUJNESO-RVKKMQEKSA-N 344.459 2.534 0 50 EFAA Cc1nnc(-c2ccc(-c3nnc([C@H]4CCCOC4)o3)cc2)n1C 886084661 WKEJRSDBURMFKW-AWEZNQCLSA-N 325.372 2.735 0 50 EFAA CC(C)C[C@H]1CN(C)CCN1C(=O)c1coc(-c2ccccn2)n1 886602745 YHIIGFYFSMQEDA-AWEZNQCLSA-N 328.416 2.539 0 50 EFAA COc1ccccc1C[C@H](C)N[C@@H]1C[C@@]2(C[C@H]1O)CN(C)[C@@H]2C(C)C 888098755 MLGXMXUVFJIPKP-UMBWAWJWSA-N 346.515 2.696 0 50 EFAA Cc1nnc([C@H]2CN(c3cc(C4CC4)nc(C4CC4)n3)C[C@@H](C)O2)o1 894586198 RMGGOXOSJOAQDW-MEBBXXQBSA-N 341.415 2.889 0 50 EFAA Cc1noc2ncnc(NCCn3nc(C(F)(F)F)cc3C)c12 895424904 CBYVQPBUGVLPIM-UHFFFAOYSA-N 326.282 2.562 0 50 EFAA CCc1cc2c(N3C[C@@H](OC)C[C@@H]3c3nnc(C)o3)ncnc2s1 1775957280 LWWABOFKMXWWPH-GXFFZTMASA-N 345.428 2.912 0 50 EFAA Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(F)cc1 11693025 FLRZPIYKNPEYQY-UHFFFAOYSA-N 345.765 2.572 0 50 EFAA c1cc(-c2cc3c(nn2)CCN(C[C@]24C[C@H]2COC42CCC2)C3)ccn1 2325771845 VHGMTAJYOHIFHY-FXAWDEMLSA-N 348.450 2.856 0 50 EFAA C[C@@](NC(=O)N1CCC(F)(F)C1)(C(=O)O)c1ccc(Cl)cc1 2325780645 FAGRCSIGCXHNNM-ZDUSSCGKSA-N 332.734 2.690 0 50 EFAA CC(C)C(=O)[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1O 2325783024 UNQOJSWQJDVEPY-CQSZACIVSA-N 345.374 2.547 0 50 EFAA C[C@H](Cc1ccc(F)cc1F)C(=O)N[C@@H]1COc2ccccc2[C@@H]1O 2325791594 VZBNXGBJWNDFOB-ONUMYQOESA-N 347.361 2.754 0 50 EFAA Cc1nccn1CCc1noc([C@H]2CCN(c3ccccc3F)C2)n1 2325812765 FPBGUHIGBMETLX-AWEZNQCLSA-N 341.390 2.950 0 50 EFAA CCc1c[nH]c2ncnc(N3CCC[C@@H](c4nnc5ccccn45)C3)c12 891610750 SHEJIBPEJDXTDO-CQSZACIVSA-N 347.426 2.947 0 50 EFAA COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc2c1OCO2 300793 KEIXEQOGCAHTQC-UHFFFAOYSA-N 344.386 2.885 0 50 EFAA COc1ccccc1-c1nnc2n1[C@@H](Cc1ccccc1)C(=O)N(C)C2 2356143764 WCYMQUVCESVDIY-INIZCTEOSA-N 348.406 2.710 0 50 EFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCc1cn2ccccc2n1 2356158385 ZSNKZTJYROOPPI-UHFFFAOYSA-N 348.362 2.764 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356160283 LCZDVEZHWBILCU-HXUWFJFHSA-N 349.438 2.725 0 50 EFAA O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc2ccccc2c1 2593096 QWNMSVLCVWTAQO-UHFFFAOYSA-N 347.370 2.996 0 50 EFAA CC(C)[C@H](NCC[C@H](O)c1ccc(Br)cc1)C(=O)O 2862290 SVTQKESHECKABS-STQMWFEESA-N 330.222 2.571 0 50 EFAA Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C 3386065 FOHAFYGPQFIWQB-UHFFFAOYSA-N 341.234 2.617 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 6742222 KKGKJGJVNHIQPH-JKSUJKDBSA-N 342.395 2.528 0 50 EFAA Cc1cnc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)s1 225511472 LVOHWOGSDHBMLD-UHFFFAOYSA-N 339.486 2.891 0 50 EFAA CC(C)CN1CCN(Cc2cn(C)c3ccccc23)C[C@H]1CCO 104469481 KGGIVTRYUGCJES-GOSISDBHSA-N 329.488 2.703 0 50 EFAA Cc1ccccc1NC(=O)CC(=O)N(C)CC[C@H](O)c1ccccc1 55183414 RQWVLSVSWASCOR-SFHVURJKSA-N 340.423 2.906 0 50 EFAA CC(C)(C)c1nnc(NC(=O)NC[C@H]2COc3ccccc3O2)s1 56737306 LBEBHUXMVVMBEF-JTQLQIEISA-N 348.428 2.797 0 50 EFAA c1cncc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCOC2)c1 55393650 FWPKIZDRKFYXPZ-QGZVFWFLSA-N 326.396 2.849 0 50 EFAA CS[C@H]1CCCCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 134615204 QDPHXVFQBZTZLY-KBPBESRZSA-N 347.484 2.578 0 50 EFAA O=C(NCc1nccn1Cc1ccccc1)c1cn2ccsc2n1 65375770 HIPWXJBJRDMHPY-UHFFFAOYSA-N 337.408 2.571 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248164530 ZCTVBTOOAQGQDY-WNRNVDISSA-N 328.456 2.884 0 50 EFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(F)(F)CC1)C2 67724640 HJGHDQWIHGSKQD-LLVKDONJSA-N 327.375 2.580 0 50 EFAA CN(C)C(=O)c1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 248514408 DXIWVAUSXYRKRR-XIRDDKMYSA-N 330.428 2.606 0 50 EFAA CC[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccc2sccc2c1 67540478 YMPMBMBPGSTKTD-ZDUSSCGKSA-N 329.425 2.883 0 50 EFAA COc1cccc(NCc2nn(Cc3cccc(Cl)c3)c(=O)[nH]2)c1 61720370 CWTUZPRRPJZPDJ-UHFFFAOYSA-N 344.802 2.894 0 50 EFAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)cc1 67774586 SLDRWYLMRQWQKK-QGZVFWFLSA-N 349.438 2.988 0 50 EFAA CS[C@@H](C)CC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 251903266 SRAUYRAWAZNWCD-GXTWGEPZSA-N 341.546 2.873 0 50 EFAA CCCn1ncc(C(=O)N2CCCC[C@H]2CCn2ccnc2)c1C 65527086 ANDGZTVUPAKIRW-INIZCTEOSA-N 329.448 2.883 0 50 EFAA CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)s1 36352847 SEKNUNGCWAMHLR-JSGCOSHPSA-N 344.440 2.820 0 50 EFAA Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)O)Cc3ccccc32)s1 318675301 MIRJTVQZNFBOIH-GFCCVEGCSA-N 337.422 2.509 0 50 EFAA O=C(C1CCN(C[C@]2(c3ccccc3)CCOC2)CC1)N1CCCC1 215647808 MVEPLIOTWHPWSN-OAQYLSRUSA-N 342.483 2.679 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)C1 328590433 PEUJLRJGKAGQIS-FXZDBVEHSA-N 333.771 2.605 0 50 EFAA C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)C1 328644064 RPJZBZRWINYSRA-WMLDXEAASA-N 330.476 2.684 0 50 EFAA CS(=O)(=O)c1cc(-c2nc(Cc3ccccc3F)no2)cs1 253419530 OKDDROFXEUHRQY-UHFFFAOYSA-N 338.385 2.932 0 50 EFAA CCc1nc([C@@H](C)NC(=O)c2cnc(C3OCCO3)s2)cs1 253404066 CWDLSHLLBNLZPQ-MRVPVSSYSA-N 339.442 2.698 0 50 EFAA CCn1nc(C)c(CN2CCCN(Cc3cccnc3)CC2)c1C 72137184 RRBXYFQKXTZHIJ-UHFFFAOYSA-N 327.476 2.623 0 50 EFAA CCc1ccc(S(=O)(=O)N(C)Cc2ccc(C)o2)cc1C(=O)O 152942311 NIKBDFMONYAQGE-UHFFFAOYSA-N 337.397 2.669 0 50 EFAA Cc1oncc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 219691394 RTQFAAPSRGOWGO-LEHRNKBSSA-N 337.379 2.773 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@]2(C1)OCc1ccccc12 375371871 XIMMEUGFTTXHBD-LJQANCHMSA-N 325.412 2.699 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(C3CC3)no2)c1 282444003 JQXRRGYYDCFOIV-CJNGLKHVSA-N 328.368 2.509 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 370486381 YBUJSOALRWNWNR-CQSZACIVSA-N 349.438 2.797 0 50 EFAA O=C(O)COc1ccc(Cl)cc1CN1CCC(c2ncc[nH]2)CC1 215479611 QIYUJJMZWSWMIT-UHFFFAOYSA-N 349.818 2.906 0 50 EFAA CS(=O)(=O)CC1CCC(N[C@H]2CCc3cccnc3CC2)CC1 333806836 ZGXANELTSKTFIP-PREGVCBESA-N 336.501 2.522 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282694243 XOCXYSUAFLPEDQ-RDJZCZTQSA-N 332.375 2.698 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)/C=C/c1cc(Br)ccc1F 237611484 VKCIAMZNZJRHOW-ISYDMWFUSA-N 341.224 2.940 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)c1ccccc1Cn1cncn1 172912396 PPXQCPPZHBNVJE-UHFFFAOYSA-N 334.379 2.538 0 50 EFAA CC(C)c1noc(CN2CCC3(CC2)C(=O)N(C)c2ccccc23)n1 72152240 HMDWTIGAQYGTRZ-UHFFFAOYSA-N 340.427 2.703 0 50 EFAA Cc1ccc(CC2(NC(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)cc1 215908589 LHEMWKWEOWROPB-UHFFFAOYSA-N 347.422 2.691 0 50 EFAA C[C@H](O)[C@H]1CCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C1 282918790 YFOLOOUDOCEXDP-HOCLYGCPSA-N 341.411 2.895 0 50 EFAA O=C(CCc1ccoc1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 378152536 ZMERXHIIWGYPRH-LJQANCHMSA-N 331.387 2.805 0 50 EFAA O=C(CCN1CCCC1)N1CCC[C@H](COc2cccc(F)c2)C1 77375423 MKZTXEDNVZRLRK-INIZCTEOSA-N 334.435 2.929 0 50 EFAA Cn1nccc1CCN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 283308431 XWXSLZSOCZUDCW-XJKSGUPXSA-N 339.361 2.789 0 50 EFAA CCN([C@H](C)CC(=O)O)S(=O)(=O)c1csc2ccccc12 285212829 RWGHVGNWIDAZIL-SNVBAGLBSA-N 327.427 2.775 0 50 EFAA Cc1nccn1CC[C@H](NC(=O)CN1CCCC1)c1ccccc1 223447348 SYVIBXLRSXRNQC-SFHVURJKSA-N 326.444 2.535 0 50 EFAA Cc1ncc2n1CC[C@@H](C(=O)N1CCc3c(Cl)cccc3C1)C2 290147478 VNHVJHKSRPVXJK-CYBMUJFWSA-N 329.831 2.992 0 50 EFAA CN(C(=O)Nc1ccc(C(N)=O)nc1)[C@H]1CCCC[C@H]1C(F)(F)F 291203430 BKJFEDFEUBFFFO-PWSUYJOCSA-N 344.337 2.765 0 50 EFAA CC[C@@]1(CNC(=O)c2n[nH]c3c2CCC3)OCCc2ccccc21 291475719 PPFAHYYKOYWYRH-IBGZPJMESA-N 325.412 2.506 0 50 EFAA COc1ccc2c(C)c(C(=O)NCc3nnc4n3CCCC4)oc2c1 91871854 JDLFJYMBKDQNTO-UHFFFAOYSA-N 340.383 2.608 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)[C@H]1CCNC1 179049822 HPYFGCWVAWXDKC-AWEZNQCLSA-N 333.432 2.615 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c(C)o1 96135934 BIBJTPFYWMODOK-VQIMIIECSA-N 327.380 2.507 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@@H](C)n2ccnc2C(C)C)nc1 95496550 BBGDBVXRGBHPPK-OAHLLOKOSA-N 329.448 2.889 0 50 EFAA COc1ccccc1OC1CN(c2nc3c(cc2C(=O)O)CCC3)C1 96151159 UBERWBSRRWHTKH-UHFFFAOYSA-N 340.379 2.545 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)[C@H]1COc2ccccc2C1)C1CC1 91950600 MRGGFKCKUFMHAX-MRXNPFEDSA-N 339.439 2.779 0 50 EFAA O=C(O)[C@@H](c1cccc(O)c1)N1CCC(OCc2cccnc2)CC1 95383641 YGMLQFPVEYUNQD-GOSISDBHSA-N 342.395 2.594 0 50 EFAA COCCc1nc(-c2ccc(CO)cc2)n(-c2ccccc2OC)n1 96150207 MTWHLDIEYMQZGT-UHFFFAOYSA-N 339.395 2.624 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)NCCN1CC[C@@H](c2ccccc2)C1 97522027 AQSIHJJQJGRXOL-QGZVFWFLSA-N 338.455 2.815 0 50 EFAA COc1cc(F)c(CN2CC[C@](O)(c3ccccc3)C2)cc1OC 97514466 OZHVEFUPJQMNKD-LJQANCHMSA-N 331.387 2.936 0 50 EFAA CNc1nc(-c2nc([C@@H]3CCOC3)nn2-c2ccccc2)cs1 97785667 NMKZOYDPTFIHRQ-LLVKDONJSA-N 327.413 2.936 0 50 EFAA CN1C(=O)C[C@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1(C)C 244795650 RKVRAKSKQXYDCT-OAHLLOKOSA-N 344.386 2.959 0 50 EFAA C[C@@H](c1ccncn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1 244874489 XCGKFBPBTDWQAZ-NSHDSACASA-N 333.461 2.862 0 50 EFAA C[C@@H](O)[C@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 183198102 IOWMCBQLACHXFN-YPMHNXCESA-N 345.270 2.655 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)NCCN2CCC[C@@H](C)C2)cc1 534669100 HPIASLNCGVYZQC-GOSISDBHSA-N 347.503 2.621 0 50 EFAA COc1ccccc1S(=O)(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 184961092 YJPQFJCRXDXLFG-LBPRGKRZSA-N 343.404 2.964 0 50 EFAA Cc1cc(NC(=O)NCCCn2ccnc2C)n([C@H](C)C2CC2)n1 299799457 RWTQPCJTOUPAIT-CYBMUJFWSA-N 330.436 2.879 0 50 EFAA O=C(O)[C@H]1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCO1 828488888 BGFPLCGNZKHFGV-GOSISDBHSA-N 349.390 2.582 0 50 EFAA CCNC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1Cl 952873811 OUDMNLJRYMNKGX-UHFFFAOYSA-N 337.851 2.904 0 50 EFAA COc1cccc(C)c1C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 952979679 FCRZSYBYAZRQNF-HNNXBMFYSA-N 330.428 2.621 0 50 EFAA COCc1csc(C(=O)NCCN(C)Cc2ccc(OC)cc2)c1 1372024873 MQVAGEWSUUFLHM-UHFFFAOYSA-N 348.468 2.765 0 50 EFAA CCOc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1 302193696 CRNCKDJVBXCEPV-UHFFFAOYSA-N 342.447 2.870 0 50 EFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@@H]3O)cccc2c1C 408220530 XIVLTYDCBHEJHU-KURKYZTESA-N 342.439 2.787 0 50 EFAA CCn1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cn1 276086284 YCIYRSJDCXABFX-RDTXWAMCSA-N 343.431 2.603 0 50 EFAA CN1CCCN(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 278598902 BVFRUTGHLXOBNH-UHFFFAOYSA-N 349.385 2.535 0 50 EFAA CCOC(=O)c1ccc(CNC(=O)c2noc3c2CCCCC3)o1 170602328 ZDSOWNIVRRDVFS-UHFFFAOYSA-N 332.356 2.643 0 50 EFAA Cc1nc(CC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c(C)s1 279334352 NSKRKHFRVXZXAS-GFCCVEGCSA-N 334.445 2.569 0 50 EFAA CC[C@H]1CN(C(=O)NCCc2nc(C(C)(C)C)cs2)CCO1 170927439 VHLSMHSEWACNJA-LBPRGKRZSA-N 325.478 2.804 0 50 EFAA O=C(NCCN1CCCOCC1)Nc1ccc(-c2nccs2)cc1 187477366 VROCIGIEWNBJPO-UHFFFAOYSA-N 346.456 2.654 0 50 EFAA O=C(Cc1cscn1)NCc1ccccc1OCC(F)(F)F 666928498 MVDLYFWJODXUFD-UHFFFAOYSA-N 330.331 2.943 0 50 EFAA CC[C@@H](C(=O)O)N1CCO[C@H](c2cccc(Br)c2)C1 191413408 OIIASGJRKACORN-STQMWFEESA-N 328.206 2.686 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 191506574 LJBJBKPRZKURHN-ZDUSSCGKSA-N 333.388 2.863 0 50 EFAA CC(C)c1nc(N(C)C)nc(N2C[C@@H](C)OC3(CCCCC3)C2)n1 656229883 GVIAZXBVAWLKPO-CQSZACIVSA-N 333.480 2.989 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC34CCNCC4)s2)cc1 1506399395 FOPWIQBUTATAIQ-ZDUSSCGKSA-N 328.441 2.842 0 50 EFAA CCCN(Cc1ccccc1F)C(=O)CC[C@H](C)N1CCN(C)CC1 1506405265 ADPFZADURSAEFT-KRWDZBQOSA-N 349.494 2.980 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)Cn2ccnc2C)cc1 1529153893 WNXSTGDTFKHYAI-UHFFFAOYSA-N 339.399 2.548 0 50 EFAA Cc1c(NC(=O)[C@@H](C)N2CCCCCC2)c(N2CCCC2)nn1C 1529191215 UWMBXECWQSOMJE-OAHLLOKOSA-N 333.480 2.532 0 50 EFAA CCOCCOc1cccc(C(=O)Nc2c(C)c(CC)nn2C)c1 1529173468 WPMIIOOUZRPSCX-UHFFFAOYSA-N 331.416 2.959 0 50 EFAA CO[C@H]1CN(c2nc(-c3ccccc3)no2)C[C@H]1Cc1cc(C)no1 1704327711 GVRQEKQINLDRLT-ZBFHGGJFSA-N 340.383 2.727 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCCN4C(=O)[C@@H]3C)c2)n1 1772708143 CKRVYZRPJPTVPA-LPHOPBHVSA-N 338.455 2.684 0 50 EFAA CN(C)Cc1nnc(N2CCC(c3nc4ccccc4o3)CC2)o1 1772702206 BZFSFSULFWFUOW-UHFFFAOYSA-N 327.388 2.656 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)C1(c2ccc(Cl)cc2)CC1 1772711713 WFFCQSGYMQRPKW-IUODEOHRSA-N 332.831 2.593 0 50 EFAA Cc1csc(N2CCN(Cc3nnsc3Cl)C[C@H]2C)n1 247971088 SIYTYXIUINKYAG-SECBINFHSA-N 329.882 2.667 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 12075354 YVBQCCIIESICAT-QGZVFWFLSA-N 347.507 2.805 0 50 EFAA COc1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12381243 IVEAOOLLJJNQFF-UHFFFAOYSA-N 332.444 2.596 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)NC[C@@H](C)c3ccccc3)o2)no1 12748157 NMYCWUVJEMEZQE-GFCCVEGCSA-N 340.383 2.886 0 50 EFAA COc1cccc(CN2CCC[C@H](NC(=O)CC(F)(F)F)C2)c1 14949291 UKDGCJADGIRHEZ-ZDUSSCGKSA-N 330.350 2.728 0 50 EFAA CCc1cc(C)cc(OC[C@H](O)Cn2c[n+](C)c3ccccc32)c1 15746053 DGCSLHPUZUANTA-QGZVFWFLSA-N 325.432 2.777 0 50 EFAA Cc1ccc(C)c(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C2)c1 169751705 FJEDWLRVSJFIFG-MRXNPFEDSA-N 327.428 2.913 0 50 EFAA O=C(CC1CCCC1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857703364 JLNRIQPYYWKPNG-FQEVSTJZSA-N 342.439 2.843 0 50 EFAA Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857715746 GCEORQGYIONIBW-GRDNDAEWSA-N 334.847 2.630 0 50 EFAA O[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1Cc1ccc2ccccc2n1 1857734531 VASPXRFNPWZCCC-RDTXWAMCSA-N 345.406 2.546 0 50 EFAA O=C1C[C@H](c2ccc(-c3ncccc3C(=O)N3CCCC3)cc2)CN1 1875249528 ZCPBTKQRGSLCHZ-INIZCTEOSA-N 335.407 2.588 0 50 EFAA CC[C@@H]1CN(c2ccccc2S(=O)(=O)CC)CCN1CC(F)F 225522213 ZPEZWICKNSKDAK-CYBMUJFWSA-N 346.443 2.646 0 50 EFAA NCC[C@H]1CCCN(C(=O)NCc2ccccc2N2CCCCC2)C1 417999228 VTOUFTAROSTYEL-QGZVFWFLSA-N 344.503 2.947 0 50 EFAA Cc1cccc(C)c1OC1CCN(Cc2ncnn2CCF)CC1 328587905 JPJAWTWPMIQNAH-UHFFFAOYSA-N 332.423 2.908 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc4cc(C)c(C)cc4o3)CCO2)o1 328613190 RBRDNXZIYGZFQE-MRXNPFEDSA-N 341.367 2.955 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n1 328950849 LKQSOTQXOQUSKR-GOEBONIOSA-N 345.447 2.624 0 50 EFAA O=C(c1cc(-c2ccccc2F)on1)N1CC[C@@H](n2cccn2)C1 643309139 STWQHYMVHNNDNY-GFCCVEGCSA-N 326.331 2.764 0 50 EFAA COc1cc(Cl)ccc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337270802 ZYUGFNHCCBWTIX-OAGGEKHMSA-N 325.836 2.710 0 50 EFAA COc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c1O 247911671 KUIXJGQSSVHABY-HOTGVXAUSA-N 344.455 2.737 0 50 EFAA CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CNCC2CC2)c1 253433296 VIVUKDIVGIRIDC-UHFFFAOYSA-N 337.851 2.759 0 50 EFAA O[C@H](CN1CCC(c2cccc3cnccc23)CC1)Cn1cccn1 369363582 RFZFXBMDEXALMJ-GOSISDBHSA-N 336.439 2.672 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CN(C)Cc2ccccc21)c1cccc(O)c1 372884133 SPHBXTIRDBNSMA-ACJLOTCBSA-N 325.412 2.939 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)n2C)C(=O)O)cc1Cl 263042865 NKXWSYKAKWIFLI-CQSZACIVSA-N 336.775 2.551 0 50 EFAA O=C(NCc1nnc2ccccn12)N[C@H]1CCCc2sccc21 162641354 DBDZWGCLLXJMHF-LBPRGKRZSA-N 327.413 2.668 0 50 EFAA COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c(F)c1 392556617 UZCSLMMMMLGSSM-MRXNPFEDSA-N 329.327 2.659 0 50 EFAA O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc(-c2c[nH]c3ccccc23)[nH]n1 906240268 NARJKALAXBSPAA-UONOGXRCSA-N 349.438 2.915 0 50 EFAA COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2nonc2C)c1 873283065 NOEDTJOBWXOCLI-BZNIZROVSA-N 330.388 2.679 0 50 EFAA COC1(c2ccccc2)CN(C(=O)Cc2cnc3c(C)cccn23)C1 1875272096 BEJAMOAVVZLCPF-UHFFFAOYSA-N 335.407 2.569 0 50 EFAA CCc1[nH]nc2ncnc(N(C)C[C@@H]3OCCc4sccc43)c12 1875310634 WJJRMCWUUWJIAX-LBPRGKRZSA-N 329.429 2.727 0 50 EFAA C=CC(=O)N(Cc1cccc(F)c1Cl)C[C@H]1C[C@@H]2COC[C@@H]2O1 1875388568 GYUDXVIZMRPMPC-NFAWXSAZSA-N 339.794 2.798 0 50 EFAA CC[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1cccc2cc[nH]c12 1875318316 FMBNXYODTIGPNJ-IUODEOHRSA-N 332.425 2.684 0 50 EFAA Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)/C=C/CN(C)C)cc1 1875376070 YGSDZWGZGXQNJF-QTWIXLPOSA-N 330.472 2.663 0 50 EFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NCC[C@@H](C(C)C)N(C)C 1875310599 VMJZRPJFGQPFNN-ZDUSSCGKSA-N 348.882 2.706 0 50 EFAA COCc1nccc(N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 894381301 DSNBJWKICOYBKW-KRWDZBQOSA-N 333.819 2.764 0 50 EFAA COCc1cccc(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)c1 1777237004 BBYYCXOJBDDLRU-MRXNPFEDSA-N 327.384 2.658 0 50 EFAA Cn1ccnc1SCC(=O)Nc1nnc(-c2ccccc2)s1 2500884 FVBLEVABGXJYIV-UHFFFAOYSA-N 331.426 2.669 0 50 EFAA O=C(NC[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCc2nc(C3CC3)ncc2C1 2325791759 IUGPWKVJMHYRFP-UWWQBHOKSA-N 341.455 2.533 0 50 EFAA Cc1c([C@@H](C)NC(=O)N=c2ccn(C3COC3)[nH]2)oc2ccccc12 2325804010 OXWLKDLFQMTZEZ-GFCCVEGCSA-N 340.383 2.814 0 50 EFAA O=C([C@H](F)CC1CC1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 2325821714 UKXKJTCBMKEXOH-BFYDXBDKSA-N 332.419 2.634 0 50 EFAA CN(C)Cc1ccc(CNC(=O)c2cc3nccnc3cc2F)s1 2325856396 NZVCYIDFCAJCTM-UHFFFAOYSA-N 344.415 2.822 0 50 EFAA O=C(COC(=O)c1cnc(-c2ccco2)s1)Nc1ccc(F)cn1 2325862986 PQZNLFTVCODMBU-UHFFFAOYSA-N 347.327 2.733 0 50 EFAA COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 44443 UNKSHFBNOQYCEQ-UHFFFAOYSA-N 325.368 2.553 0 50 EFAA biogenic CCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 468669 QDYPJKCCLPSRKO-UHFFFAOYSA-N 342.834 2.611 0 50 EFAA Cc1nc(O)cc(C2CCN(c3c(C)c(C)nc4ccnn34)CC2)n1 2356139272 OQYSNXPSZPDSBE-UHFFFAOYSA-N 338.415 2.534 0 50 EFAA Cc1nnc(-c2cc(Nc3ccc(C(=O)N(C)C)cn3)ccc2O)o1 2356154985 SFSAVTPUZFVNBW-UHFFFAOYSA-N 339.355 2.591 0 50 EFAA COC(=O)c1ccc(OCCOc2ccc(C=O)cc2OC)cc1 2984247 CAXFBVMUYQWLFO-UHFFFAOYSA-N 330.336 2.752 0 50 EFAA Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(O)c1 4410640 UOIWGZGFNDPJOT-UHFFFAOYSA-N 336.347 2.920 0 50 EFAA CC(C)[C@H](CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 171171826 BXRGQRHKWXWQTJ-SFHVURJKSA-N 338.455 2.955 0 50 EFAA O=C(Cn1cnc(-c2ccccc2)n1)NC[C@H]1CCOc2ccccc21 133334144 ABADADYNMLVOFD-MRXNPFEDSA-N 348.406 2.628 0 50 EFAA COc1cccc(Cc2nnc(NC(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)s2)c1 225694429 CKPIHIGXRWGUMT-ZIBATOQPSA-N 347.440 2.890 0 50 EFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc(O[C@H]2CCOC2)cc1 246172460 BJFLPEQJYSRQQI-NZZOQPFGSA-N 330.428 2.714 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 249685077 FFSFKCQVYIMXPC-RBUKOAKNSA-N 338.455 2.961 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCC(=O)Nc2ccc(Cl)cc2F)n1 65380754 HJUCUNIGUPUGBO-NSHDSACASA-N 338.814 2.909 0 50 EFAA C[C@H](NC(=O)CN(CCO)[C@H]1CCCc2ccccc21)c1ccco1 248381149 SGKHBSUZMLNSNN-YJBOKZPZSA-N 342.439 2.829 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)[C@@H](C)C(=O)Nc1nccs1 65406854 YCTAYYQKOMSOBJ-JTQLQIEISA-N 335.433 2.643 0 50 EFAA CNc1cc(C(=O)N(C[C@H]2COc3ccccc3O2)C(C)C)ccn1 65393696 NGYURIBYJGCASJ-HNNXBMFYSA-N 341.411 2.814 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)cc1 67755454 RKUGVONFNAJFEE-GOSISDBHSA-N 346.471 2.535 0 50 EFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2ccn[nH]2)C1 67967372 ISJWSQWVMBCQMZ-AWEZNQCLSA-N 348.410 2.963 0 50 EFAA Cc1nn(CC(=O)O)c(C)c1NC(=O)[C@@]1(c2cccs2)CC1(C)C 65370032 FENYEZBGJDVJAG-KRWDZBQOSA-N 347.440 2.952 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)C1=NO[C@H](c2ccccc2)C1 252512720 VBGNDTCYDZJVIH-FXIICAMRSA-N 348.468 2.700 0 50 EFAA O=C(O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 314467093 MNWULRVXJZZFJY-GFCCVEGCSA-N 337.422 2.972 0 50 EFAA Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12 72420435 MOCKKZAFARQWAV-UHFFFAOYSA-N 345.410 2.783 0 50 EFAA CC1(O)CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 253433021 QWXLOKFKEVNXKT-UHFFFAOYSA-N 337.508 2.589 0 50 EFAA C[C@@H]1OCC[C@@]12CN(C(=O)N[C@H]1C[C@H](c3cccc(F)c3)C1)CCO2 253431137 ZMNOTJNUDMNOBB-YMFLFHJQSA-N 348.418 2.661 0 50 EFAA CCc1nnc2ccc(N3C[C@@H](c4ccccc4C)OC[C@@H]3C)nn12 253423040 CFFVXZACHITCOB-HOCLYGCPSA-N 337.427 2.962 0 50 EFAA C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72409352 NUPGWTOMCWRPRA-ZOXCZHJPSA-N 341.455 2.779 0 50 EFAA Cc1cc([C@@H]2CCCN([C@H](C)C(=O)NCc3cccs3)C2)n[nH]1 257366061 HUOPNDOVSZUYSI-ZIAGYGMSSA-N 332.473 2.664 0 50 EFAA CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@@H](n2cncn2)C1 363769363 PXTQYKCVYYLCQE-IAGOWNOFSA-N 345.422 2.641 0 50 EFAA Cc1cc(C)c(OCC(=O)N2CC[C@H](c3nc(C)no3)C2)c(C)c1 331600334 UQZDYYGLMPXFMV-HNNXBMFYSA-N 329.400 2.698 0 50 EFAA N[C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1 333266244 JMRDWHJFPHOCBW-MOPGFXCFSA-N 328.456 2.534 0 50 EFAA CCC(CC)C(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 448260633 MPCRDFMNCWOTKG-UHFFFAOYSA-N 329.400 3.531 0 50 EFAA CC(C)c1ncc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)cn1 241784789 RWSUWHTYXYHRQS-NSHDSACASA-N 344.440 2.818 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(O)nc3ccccc23)C1 237966353 YCXIKGFWSOKGQW-LBPRGKRZSA-N 328.368 2.657 0 50 EFAA O=C(NCc1ccc(CO)c(F)c1)[C@H]1CC[C@@H](c2ccccc2)O1 377647349 KHBPCOWZAKBYNL-ZWKOTPCHSA-N 329.371 2.855 0 50 EFAA O=C(c1cc(-c2ccncc2)on1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337298398 OXJSJMZHSWZBPR-OIISXLGYSA-N 341.411 2.892 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1cn2ccsc2n1 82147039 BTCNZPBLUJEEPY-NSHDSACASA-N 331.445 2.556 0 50 EFAA C[C@H](CNC(=O)c1cc(-c2ccsc2)n[nH]1)Oc1cccnc1 222261730 JBCHBURMYBOFGC-LLVKDONJSA-N 328.397 2.731 0 50 EFAA O=C1CC[C@@H]2CN(Cc3ccoc3)CC[C@@H]2N1Cc1ccccn1 20601241 RDIQIDBJQGGJAC-AEFFLSMTSA-N 325.412 2.688 0 50 EFAA COc1cc2nc(-c3ccc4c(c3)OCCO4)nc(N)c2cc1OC 97775784 NQEIXZPXWCXHAR-UHFFFAOYSA-N 339.351 2.667 0 50 EFAA COc1cccc(N2CCN(Cc3[nH]nc(C)c3Cl)[C@H](C)C2=O)c1 97785118 PQJGWXPEFIXSKL-GFCCVEGCSA-N 348.834 2.617 0 50 EFAA O=C(NCc1nccs1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 91416690 GJFAQXGJSXIAMH-CYBMUJFWSA-N 335.473 2.721 0 50 EFAA CCc1csc(CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)n1 95378709 PJZJQEHPQAZICQ-QGZVFWFLSA-N 344.484 2.596 0 50 EFAA CN1CC2(CCC1=O)CCN(CCCOCc1ccccc1)CC2 91663746 HJNHPRMHEFBOBK-UHFFFAOYSA-N 330.472 2.928 0 50 EFAA CCc1ncc(C(=O)N[C@H](CC(=O)O)c2cccc(Cl)c2)cn1 95496765 WOOZFXCAWUJUNH-CYBMUJFWSA-N 333.775 2.638 0 50 EFAA O=C(c1cccc2c1CCCC2)N1CCN(Cc2ccncc2)CC1 294553459 VXNNDHLARQTFNR-UHFFFAOYSA-N 335.451 2.918 0 50 EFAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2cccc(F)c2)no1 244742087 OBSKDYFRUCVCRI-DOMZBBRYSA-N 329.375 2.581 0 50 EFAA Cc1noc([C@@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)n1 181136945 MJPCRKKHZIXXPM-CYBMUJFWSA-N 328.420 2.561 0 50 EFAA CCCn1cc(CNC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cn1 534645378 JDQJLQAQGYHGOC-UHFFFAOYSA-N 344.394 2.650 0 50 EFAA Cn1nc(C(C)(C)C)cc1NC(=O)N(CCCO)Cc1ccncc1 299755831 FMRSBQQOWKYYRW-UHFFFAOYSA-N 345.447 2.529 0 50 EFAA COc1cccc(-c2ccnc(-n3ncc(C(=O)O)c3C3CC3)n2)c1 299788768 VECQRFRWKWTUNR-UHFFFAOYSA-N 336.351 2.914 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(CN2CCCC2)c1 821418422 RDZDJEJLDYILRE-SFHVURJKSA-N 331.460 2.772 0 50 EFAA CC(C)(O)Cn1nc(-c2ccccc2)nc1C1(Cn2ccnc2)CC1 821508349 KSOKYFZPIAZYFT-UHFFFAOYSA-N 337.427 2.644 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)NCc1nncn1C1CCCCC1 827857652 PGLVCCYLUORQBV-UHFFFAOYSA-N 338.415 2.519 0 50 EFAA Cc1cnc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cn1 825248567 UPYKNXAEPGESKJ-INIZCTEOSA-N 327.384 2.985 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccccc1-c1ncc[nH]1 584894890 WBXQWVBGGSTAHQ-UHFFFAOYSA-N 335.411 2.999 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1358320834 OONJBIVPXSOBJR-LBTNJELSSA-N 334.379 2.676 0 50 EFAA O=C(N1CCS(=O)(=O)C2(CCCCC2)C1)N1CCc2ccccc21 267906141 KUGQHWBGHNCDSM-UHFFFAOYSA-N 348.468 2.602 0 50 EFAA Cn1ccc(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)n1 408515103 UYEQLMOFWPDZPT-UHFFFAOYSA-N 345.309 3.530 0 50 EFAA Cc1ncc([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)n1 268776099 NYCSICBKXUXGGV-UONOGXRCSA-N 341.459 2.564 0 50 EFAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Nc2ccn(Cc3ccncc3)n2)C1(C)C 272028332 MNCYFKHFXZGDCK-APHBMKBZSA-N 343.431 2.507 0 50 EFAA Cn1nccc1CCNC(=O)c1cnc(Cc2ccccc2F)s1 185931425 SCJFBWBVIYKCDL-UHFFFAOYSA-N 344.415 2.579 0 50 EFAA COc1ccccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190599238 LSXCTOLPCBJGAC-KRWDZBQOSA-N 339.439 2.684 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 190638633 POKRSVBEXHUWBK-SFHVURJKSA-N 341.430 2.744 0 50 EFAA CCn1cc(C2CCN(C(=O)c3cccc(C(=O)O)c3)CC2)cn1 191583362 AQQYZYPHMWZKOR-UHFFFAOYSA-N 327.384 2.621 0 50 EFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCCc2cccnc21 192839947 YVLDHBUNDQJTOM-SJLPKXTDSA-N 349.434 2.703 0 50 EFAA CCOc1nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)co1 681301342 HFXZFLQEQHSNKT-MRXNPFEDSA-N 343.427 2.810 0 50 EFAA COC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(Cl)cc1 194627704 NAKSYSRMAGIPPI-CVEARBPZSA-N 337.851 2.517 0 50 EFAA CO[C@H](C)CS(=O)(=O)NCc1ccc(OC2CCCCC2)cc1 195201149 WBUBTJPLRCDQKT-CQSZACIVSA-N 341.473 2.852 0 50 EFAA CCc1nc(C)c(C(=O)N[C@@H](C(=O)O)c2cccc(OC)c2)s1 659176439 YQMTXLRUYKVUNH-CYBMUJFWSA-N 334.397 2.578 0 50 EFAA Cc1cc(C(=O)O)nc(N[C@@H]2CCCN(Cc3ccccc3F)C2)n1 1506404025 RFONLPHHSNIVQZ-CQSZACIVSA-N 344.390 2.699 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)CC[C@@H]1O 1704316371 NQWWVKCTTUAWGZ-NZSAHSFTSA-N 343.467 2.669 0 50 EFAA CCCCN(Cc1cnc(C(=O)O)cn1)Cc1ccccc1OC 1772707852 ZZWRZXIIRWKNRN-UHFFFAOYSA-N 329.400 2.986 0 50 EFAA CCc1ccc(CN2CC[C@]3(CCCN(CCOC)C3=O)C2)cc1 12571829 DSOZWMJRFYAZEA-HXUWFJFHSA-N 330.472 2.710 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@@H]1CCOC1)C2 14997739 NPHLGXSFKQOXGD-GDBMZVCRSA-N 338.407 2.513 0 50 EFAA COc1cccc(-c2noc3c2CN(C(=O)c2ccncc2)CC3)c1 15073845 AZVRDXMFRIXUBJ-UHFFFAOYSA-N 335.363 2.944 0 50 EFAA CCc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 16275930 QRSAEPVBPMIRRI-UHFFFAOYSA-N 346.452 2.649 0 50 EFAA Nc1nc2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2s1 19112974 GZLAIHJPCFNYDZ-UHFFFAOYSA-N 344.484 2.969 0 50 EFAA Cc1cnc(NCCSc2snnc2C)nc1-c1ccnn1C 19770836 KJPQIFUHGFCPIG-UHFFFAOYSA-N 347.473 2.550 0 50 EFAA Cc1cnccc1[C@H](C)Nc1cnn(Cc2nnc3n2CCCC3)c1 1857532359 BYMUAAYRQVLINP-AWEZNQCLSA-N 337.431 2.736 0 50 EFAA Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857716536 CUTRREYBIJYPAF-YQQAZPJKSA-N 334.847 2.630 0 50 EFAA COc1cnc(C)cc1C(=O)N1CCC(O)(c2ccccc2)CC1 1857673664 XGCAPELGQJTVSA-UHFFFAOYSA-N 326.396 2.522 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)Nc3cc(C)ccc3OC)CCN12 1857735244 ADJYXKBTEOHHDU-JKSUJKDBSA-N 347.459 2.721 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N(CC(F)F)CC(F)F 904217725 OZCHWGVDITYJEX-GHMZBOCLSA-N 347.308 2.920 0 50 EFAA CCCc1cnc(C)nc1N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704325901 NIKOJIRHBGWGPU-LJQANCHMSA-N 338.459 2.594 0 50 EFAA CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1-c1ccccc1C(=O)O 911500978 PWRAEEOGDRFCFK-GOSISDBHSA-N 339.391 2.895 0 50 EFAA CCc1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)no1 911997067 UKDZNOLTGLGXJL-KBPBESRZSA-N 349.431 2.803 0 50 EFAA O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)c2ccsc2C(F)F)C1 821385679 NDNPBNWVIOAVJM-QMMMGPOBSA-N 340.355 2.510 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)C[C@@H](O)c1cccc(F)c1)C2 834493306 AGXXTOZMEXYKCA-MRXNPFEDSA-N 345.418 2.786 0 50 EFAA O=C(c1cnn2cccc(Cl)c12)N1CCn2nc(C3CC3)cc2C1 834433781 TWWOLFRPOJCADZ-UHFFFAOYSA-N 341.802 2.718 0 50 EFAA CSc1ccc(OC[C@H](O)CN[C@H](C)Cc2cccnc2)cc1 934230042 MDSPSSUBOIPRJB-GDBMZVCRSA-N 332.469 2.764 0 50 EFAA Cc1nn(C)c(Cl)c1CN(C)C(=O)Cc1ccc2c(c1)CCCO2 846022005 HSFMFFSCZZBVLI-UHFFFAOYSA-N 347.846 2.908 0 50 EFAA O=C(NC[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1ncccc1F 944109184 UJKJIQTZGFSMPF-ZIAGYGMSSA-N 345.418 2.522 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1nccc(C(F)(F)F)n1 858008437 RITMBKILQRMXNR-CMPLNLGQSA-N 341.337 2.809 0 50 EFAA C=CC(=O)N(C)CC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 859333433 NZLDIWKMZZOXFU-UHFFFAOYSA-N 331.416 2.563 0 50 EFAA COc1cc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)ccc1F 952890836 KBZIPXHWRATKKY-YPMHNXCESA-N 333.363 2.667 0 50 EFAA CO[C@H](CNC(=O)C12CCC(C(=O)O)(CC1)C2)c1ccc(F)cc1 1875271024 QNYAIQVHMKVRHK-RWBZWWBESA-N 335.375 2.665 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(COc4ccccc4)C3)n[nH]c21 1875294718 UTUJDVAEDTZULO-OLZOCXBDSA-N 341.411 2.583 0 50 EFAA O=C(c1cnc(O)c(C(F)(F)F)c1)N1CC(Nc2ccccc2)C1 1875284000 INTANXCJDZZORZ-UHFFFAOYSA-N 337.301 2.743 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)[C@@H]1CC(=O)C1(C)C 1875323962 FCUVEQHPAVMBLL-JZXOWHBKSA-N 343.423 2.525 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cc3n(n2)CCCO3)C2CCC2)cc1 885405478 XJDCYOIOCWBKQJ-SFHVURJKSA-N 341.411 2.945 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)C2(c3ccccc3F)CC2)nn1 886097040 JLFDYVIQYIRISB-OAHLLOKOSA-N 326.375 2.593 0 50 EFAA CCc1nc(-c2ccc(C(=O)N3CCOC[C@H]3CC3CC3)cc2)n[nH]1 886466481 ZJPZGENTGDDGIK-MRXNPFEDSA-N 340.427 2.675 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(Cc3ccc(F)cc3Cl)C2)n1 888076229 KHSVLOQWXRSHKP-MRXNPFEDSA-N 339.798 2.740 0 50 EFAA COc1cc(C)c(NC(=O)c2cccn(C)c2=O)cc1C(F)(F)F 1772993993 GRQRYBLQDMOIQA-UHFFFAOYSA-N 340.301 2.973 0 50 EFAA COC[C@H]1CN(c2ncc(Br)c3ccsc23)CCO1 408518518 LUUKTGRGWVKDDH-SECBINFHSA-N 343.246 2.910 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C 4144258 LTZOFFUEESBHLR-OAHLLOKOSA-N 334.441 2.919 0 50 EFAA C[C@@H]1Cc2cccc(F)c2N(S(=O)(=O)c2cnn(C)c2Cl)C1 2325772246 GBFZNBNZKWYUHW-SECBINFHSA-N 343.811 2.600 0 50 EFAA O=C(O)[C@]12CN(Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]1CCO2 2325787305 RFABCIQXNRRXMM-ACJLOTCBSA-N 331.343 2.761 0 50 EFAA CCCC12CN(C(=O)CC)CC(CCC)(CN(C(=O)CC)C1)C2=O 308314 JGJJGHRZUSNNSB-UHFFFAOYSA-N 336.476 2.633 0 50 EFAA biogenic COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1 433818 NKUKNFAIHPSEQQ-UHFFFAOYSA-N 345.362 2.886 0 50 EFAA O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1 2324861 YHMHRHCKHYQBGN-UHFFFAOYSA-N 335.791 2.572 0 50 EFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356142073 CFXQBRTXXVAYCJ-FQEVSTJZSA-N 347.422 2.920 0 50 EFAA CCOC(=O)c1[nH]c(C)c(C(=O)OC(C)(C)C)c1CCC(=O)OC 2519661 XAMLSNDDFPUZHT-UHFFFAOYSA-N 339.388 2.561 0 50 EFAA OCc1cn(-c2ccc(F)cc2)nc1-c1ccc2c(c1)OCCO2 2544977 YDAAQHUAVIPKIO-UHFFFAOYSA-N 326.327 2.942 0 50 EFAA C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC1CCCCC1 6139279 OWVZCDJNUQKVPU-GFCCVEGCSA-N 345.472 2.807 0 50 EFAA CCOc1c(Cl)cc(CNc2ccc3nc(C)nn3n2)cc1OC 341579075 ZCVYPZPTAHPRQD-UHFFFAOYSA-N 347.806 3.106 0 50 EFAA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCC23OCCO3)o1 225806612 FNEYOTWJMDUZPP-GJZGRUSLSA-N 335.400 2.633 0 50 EFAA FC(F)(F)c1cccc(OC2CCN(CCn3cncn3)CC2)c1 20778491 XSHKZUPVAJXAGM-UHFFFAOYSA-N 340.349 2.840 0 50 EFAA Cc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1C 249142250 WGXPIBCVCKIMBI-RDJZCZTQSA-N 347.503 2.851 0 50 EFAA CCc1nccn1CCC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67758557 APZXGJMZKRNZTG-UHFFFAOYSA-N 347.422 2.835 0 50 EFAA CCC(=O)Nc1cccc(OCC(=O)N(C)CCC[C@H]2CCCO2)c1 65525786 SJGYHDURSUBCJW-INIZCTEOSA-N 348.443 2.832 0 50 EFAA CC[C@@H](NCC(=O)Nc1nc(C(C)(C)C)cs1)c1ccnn1C 65394236 QVZRDRWDRSONIN-LLVKDONJSA-N 335.477 2.854 0 50 EFAA Cc1ccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C 67805750 ZHJODLVJUJJZOG-QGZVFWFLSA-N 336.501 2.597 0 50 EFAA C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 248016965 SRJDGXCVSLOJAL-UGFHNGPFSA-N 348.244 2.954 0 50 EFAA COCc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63855636 JJHQRRMMVSDUJF-HNNXBMFYSA-N 334.464 2.634 0 50 EFAA COCC1(C(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)CCC1 67974334 YFZPSLKMCVZWLC-PKOBYXMFSA-N 331.456 2.645 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cn1 67788327 FZEJNSNDCRZASP-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA Cc1nn2c(CN(C)[C@H]3CCO[C@@H]3c3cccnc3)c(C)nc2s1 328968519 UEAHWNFXYPXWGH-GOEBONIOSA-N 343.456 2.765 0 50 EFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1scnc1C)C2 171684995 CBMSZJKNKWAQEI-ZDUSSCGKSA-N 332.425 2.670 0 50 EFAA COc1ccc([C@@H]2CCCN2CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 252452921 OLRFHEHLXREIEM-QFBILLFUSA-N 343.427 2.510 0 50 EFAA COCc1nc(-c2cccc(NC(=O)[C@@H](C)n3cccc3)c2)n[nH]1 409413046 AMLIEDVHDZUTSI-GFCCVEGCSA-N 325.372 2.619 0 50 EFAA C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1 252513890 AOQLPPYICKFMIJ-XJKSGUPXSA-N 330.428 2.734 0 50 EFAA CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 252514782 DUAOHYHGKZROPY-GGZOMVNGSA-N 330.354 2.787 0 50 EFAA CCO[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC[C@@H](C)C2)C12CCCC2 230274557 HNNCPYNNTCPSON-OWCLPIDISA-N 344.521 2.633 0 50 EFAA Cc1cc(C(=O)NC2CCC(C(N)=O)CC2)c2nccc(C)c2c1 253415217 LTQDVINHOYFVHU-UHFFFAOYSA-N 325.412 2.626 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 150702934 WTFZUTSYYPIZMX-SKLAPFLYSA-N 348.422 2.798 0 50 EFAA Cc1ccnc(-c2ccc(NS(=O)(=O)C[C@H]3CCCCO3)cc2)n1 150863512 CIKWSUFGEJNBET-MRXNPFEDSA-N 347.440 2.763 0 50 EFAA O=C(c1coc(C2CCOCC2)n1)N1CCO[C@H](c2ccccc2)C1 328733562 HWIBZVKGBUTWDT-KRWDZBQOSA-N 342.395 2.782 0 50 EFAA Cc1ccccc1CN1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 72476738 DUKBIPDLUSKQMA-IBGZPJMESA-N 342.414 2.512 0 50 EFAA CS[C@@H](C)CNC(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 125206410 MCABERLFHLCZQQ-AWEZNQCLSA-N 349.500 2.650 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1 153955393 HRLTUHQHYLUQJF-RYUDHWBXSA-N 330.350 2.727 0 50 EFAA CCN(C(=O)Cc1cnn(C)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 363377008 VCYSTMFUUIMIKZ-LPHOPBHVSA-N 340.471 2.647 0 50 EFAA COc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1OC 262716170 NNVRUPAZODELRK-JHJVBQTASA-N 335.400 2.772 0 50 EFAA C[C@H](NC(=O)N1CC(=O)N(C)[C@H](C)C1)c1ccc(Cl)cc1Cl 336928136 XJEQYAHERWESED-ZJUUUORDSA-N 344.242 2.927 0 50 EFAA Cc1ccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C(C)C)n1 333043071 FIGLDLYUTNKKNB-KRWDZBQOSA-N 343.471 2.890 0 50 EFAA CCOc1ccccc1C(=O)N[C@@H]1CCCc2cn(CCOC)nc21 378549354 WSUSPNKIQRGZHH-MRXNPFEDSA-N 343.427 2.736 0 50 EFAA Cc1c[nH]c(C(=O)N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)c1 72156705 ZVIQHEYOIQTOLP-HNNXBMFYSA-N 345.830 2.550 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)s1 237997738 ZVKXPJAEEVTLBB-GFCCVEGCSA-N 335.356 2.799 0 50 EFAA COc1ccc(C2=NO[C@H](CNC(=O)c3cscc3C)C2)cc1 283463769 ICXVFHZNVJBNLN-AWEZNQCLSA-N 330.409 2.988 0 50 EFAA C[C@H](NCc1ncnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1 239672794 BVJIRSPEUWAQDL-HNNXBMFYSA-N 345.410 2.699 0 50 EFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCc2ccsc2C1 132559747 IHVDFRIHNOFFHJ-CQSZACIVSA-N 332.429 2.714 0 50 EFAA Brc1cscc1CN1CCOC2(CCOCC2)C1 289297631 QKIPWUVZWTZOQK-UHFFFAOYSA-N 332.263 2.892 0 50 EFAA CN(Cc1nc(C2CC2)no1)C(=O)NCCn1ccc2ccccc21 426479769 QLYVYHXBRSVBPI-UHFFFAOYSA-N 339.399 2.743 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cc1 426595098 VNCXBZPLTCQPCH-QGZVFWFLSA-N 342.443 2.708 0 50 EFAA CCC[C@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 236940419 OUYIWUJSPRVJGK-LZWOXQAQSA-N 331.460 2.871 0 50 EFAA Cc1[nH]c(=O)c(C(=O)NCCSC(F)(F)F)c(C)c1Cl 97823288 OYDHGQWNFRWGGO-UHFFFAOYSA-N 328.743 2.628 0 50 EFAA COc1ccc(C2(C(=O)N3C[C@@H](C)[C@](O)(C4CCC4)C3)CC2)cc1 91645026 DEXKFLIEZYMBCH-VLIAUNLRSA-N 329.440 2.736 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)NCCCc2ccc(Cl)cc2)C1 97730039 NELYZQLTGDRKPH-KRWDZBQOSA-N 338.879 2.888 0 50 EFAA CCc1[nH]nc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1C 97155857 DTHSNLWJSXYDEP-INIZCTEOSA-N 340.471 2.808 0 50 EFAA COC[C@H](C)NC(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 426386305 LEJDWELWWKDEQD-JTQLQIEISA-N 335.429 2.760 0 50 EFAA Cc1nc2c(c(N(C)C[C@H]3CCOC3)n1)Cc1ccccc1OC2 95522507 BQXKRCCIHZFGPI-CQSZACIVSA-N 325.412 2.741 0 50 EFAA Cc1cccc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 184199287 IFMVCGMQMJDQQE-MRXNPFEDSA-N 338.411 2.560 0 50 EFAA CN1CCC(n2nc(-c3cccnc3)nc2CCc2cccnc2)CC1 95361347 QRGQTFOWOSIZJQ-UHFFFAOYSA-N 348.454 2.787 0 50 EFAA CNC(=O)C1(NC(=O)Nc2cc(F)cc(F)c2F)CCCCC1 97522471 IJQNCZSXPMNXOU-UHFFFAOYSA-N 329.322 2.674 0 50 EFAA C[C@@H](Cc1cnccn1)NC1CCN(c2nc3ccccc3o2)CC1 95374377 KJGMJXAOAPRZDX-AWEZNQCLSA-N 337.427 2.807 0 50 EFAA Cc1cn2c(=O)cc(CN3C[C@@H](c4ccccc4)CC3=O)nc2s1 95526527 KHZPEJTZLWGZJM-AWEZNQCLSA-N 339.420 2.581 0 50 EFAA O=C(CCc1cn2ccccc2n1)N1CCC[C@]2(CCCO2)CC1 97570861 BHGDHUTURMCFGV-IBGZPJMESA-N 327.428 2.829 0 50 EFAA Cc1noc([C@@H]2CCCCN2Cc2nnc(-c3cccnc3)o2)n1 244794842 QUYSTGVVCMFHGC-ZDUSSCGKSA-N 326.360 2.550 0 50 EFAA O=CN1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 294275271 SFGQZXRXNONBLV-UHFFFAOYSA-N 337.423 2.603 0 50 EFAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@]12CC[C@@]1(CCOC1)O2 242687649 UMRJYIFXXDLEKW-JPDRSCFKSA-N 338.488 2.900 0 50 EFAA O=C([C@@H]1CCCc2[nH]ncc21)N1CCO[C@H](CCc2ccccc2)C1 183335247 ROUVQINBHPWWDL-IAGOWNOFSA-N 339.439 2.690 0 50 EFAA COc1cccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c1OC 534592659 RKEVDPNMCVKPAN-SFHVURJKSA-N 343.423 2.736 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 299792030 DZBBTHSZEXEGRV-INIZCTEOSA-N 349.866 2.903 0 50 EFAA Cc1ccc(F)c(CC(=O)Nc2cccc(-n3nnnc3C)c2)c1 1354826118 PMUJHHXIAUKKAJ-UHFFFAOYSA-N 325.347 2.599 0 50 EFAA CCN1CCN(Cc2cc3ccc(SC)cc3nc2O)[C@@H](C)C1=O 952970033 BLNTTXADDGMAAO-LBPRGKRZSA-N 345.468 2.715 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)oc2C)C1 408058682 LWFFHFMWBXKOAS-YPMHNXCESA-N 332.322 2.568 0 50 EFAA CN1CCC[C@@H]1c1cc(C(=O)NCCc2ccc(Cl)cc2)n[nH]1 895423837 XFACFQVKOVTZHB-MRXNPFEDSA-N 332.835 2.802 0 50 EFAA CC(C)(C(=O)NCC(F)(F)CO)c1cccc(C(F)(F)F)c1 170082063 APHFTOVMQVYXMK-UHFFFAOYSA-N 325.277 2.727 0 50 EFAA Cc1cnc(C)c(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 170595505 CEOCLHOBZUVMGD-UHFFFAOYSA-N 348.472 2.734 0 50 EFAA Cc1ncc(CNc2ccc(S(C)(=O)=O)nc2)n1-c1ccccc1 170647506 DAEBIOFTVKZKJP-UHFFFAOYSA-N 342.424 2.591 0 50 EFAA Cc1cscc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 188181807 DILFXRUGXVVHBN-LJQANCHMSA-N 344.480 2.766 0 50 EFAA COCc1csc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 189706144 CEUVVSYIXFKPJN-CABCVRRESA-N 346.456 2.856 0 50 EFAA CC1(C)CN(CC(=O)Nc2nnc(C(C)(C)C)s2)CC(C)(C)O1 190565433 AMSWKSNTVOTRHX-UHFFFAOYSA-N 340.493 2.664 0 50 EFAA Cc1ncccc1OC[C@@H]1CCCN1Cc1cc2n(n1)CCCC2 649631855 PPEWOCXTXJFPSR-SFHVURJKSA-N 326.444 2.966 0 50 EFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCCC(=O)N1 684078066 NWBNQOIFWFQAHX-LLVKDONJSA-N 347.802 2.702 0 50 EFAA Cc1cnc(C)c(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 195563768 PTZDXYIFMJYPID-UHFFFAOYSA-N 338.455 2.765 0 50 EFAA CCc1nn(C)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1C 1506401621 KTIFGQARCPKYJX-LSDHHAIUSA-N 346.475 2.658 0 50 EFAA O=C(O)c1coc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 1529134354 YNVHCLPDUZVRSR-GFCCVEGCSA-N 340.383 2.704 0 50 EFAA NC[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704307972 AWTBUBMHKQFJKE-JTQLQIEISA-N 335.791 2.868 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3cccnc3)C1)CC2 1704303245 XIUJDNIDVVJVEG-HXUWFJFHSA-N 336.439 2.619 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c(O)c1 141361353 HOLHABRPTSWSSV-KRWDZBQOSA-N 338.407 2.873 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccccc2)cc1N1CCCC1=O 5329523 RQFNWOVTRSBDDG-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA CCOC(=O)CC(=O)Nc1nc([C@@H]2COc3ccccc3O2)cs1 13569921 MOXNWEWELLSVJT-ZDUSSCGKSA-N 348.380 2.547 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C1 13745587 MNRKUXLKWOHMEK-CYBMUJFWSA-N 336.457 2.846 0 50 EFAA Cc1cc2cccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)c2o1 14957181 ZNRWCYOPFPZMFB-LJQANCHMSA-N 326.396 2.826 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)o3)C[C@@H]2C)o1 16225739 GCHJCBFZMRSZMV-TXEJJXNPSA-N 330.384 2.865 0 50 EFAA C[C@@H](CNC(=O)N1CC[C@]2(CCOC2)C1)Oc1ccc(Cl)cc1 122204898 UIAWSLYBMANHBS-GUYCJALGSA-N 338.835 2.929 0 50 EFAA C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cn[nH]c1 239367143 AHSCNBRYGYZNPJ-IINYFYTJSA-N 349.232 2.628 0 50 EFAA CCc1ccc(OC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 131659180 FVEHNZMQXVMWJZ-INIZCTEOSA-N 341.407 2.952 0 50 EFAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(-c2ccncc2)on1 159261056 WAHGSLNGJBPZGW-AWEZNQCLSA-N 327.384 2.958 0 50 EFAA Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](CC(F)F)C(=O)O 262973913 KEWNRBDYSOKVDM-LLVKDONJSA-N 340.351 2.957 0 50 EFAA COc1cccc([C@](C)(CC(=O)O)NC(=O)c2scnc2C)c1 263289692 ZYGRYMURZFJZGS-INIZCTEOSA-N 334.397 2.580 0 50 EFAA CN(C)c1ncc(CNc2ncnc3sc4c(c23)CCC4)n1C 265186015 HSIQVAMBSCIRKN-UHFFFAOYSA-N 328.445 2.592 0 50 EFAA O=C1C[C@H](c2noc(-c3onc4c3CCCC4)n2)CN1CC1CCC1 904023872 ZCGBWGSOFNYAIX-LBPRGKRZSA-N 342.399 2.719 0 50 EFAA CC(C)(C)OC(=O)[C@]1(C)CCN(c2ccc3nnc(C4CC4)n3n2)C1 840319369 PICBDEUDMJVUFC-GOSISDBHSA-N 343.431 2.560 0 50 EFAA Fc1cccc(-c2nnc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)o2)c1 831364420 PKYKOQDGKRTAQZ-IMJJTQAJSA-N 329.375 2.923 0 50 EFAA Cc1csc(CCC(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)n1 1875264322 NEVWSPGGDAKNKO-UHFFFAOYSA-N 347.831 2.679 0 50 EFAA NCC[C@@H](F)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1875287598 QGVNTRZXQQMXDC-GFCCVEGCSA-N 330.285 2.517 0 50 EFAA Cc1nc(-c2ccnc(NC(=O)c3cc4n(n3)[C@@H](C)CCC4)c2)n[nH]1 1875341713 DQZWMZCRFAYOAN-JTQLQIEISA-N 337.387 2.521 0 50 EFAA C=CC(=O)N(Cc1cccc(Br)c1F)[C@@H](C)[C@H](C)O 1875388412 AGKIPMKBXGFKDS-UWVGGRQHSA-N 330.197 2.872 0 50 EFAA 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Cn1c(=O)cc(-c2nc([C@H](N)c3ccccc3)no2)c2ccccc21 1875253297 GGAYJMZJSWZJEL-QGZVFWFLSA-N 332.363 2.637 0 50 EFAA CCc1nc([C@@H]2COC[C@@H]2Nc2ccnc3cc(OC)ccc23)n[nH]1 1875399339 WJXJZNBQXYDJNU-CJNGLKHVSA-N 339.399 2.518 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 1875369241 CPFXSJHVIFSTTM-UHFFFAOYSA-N 338.411 2.544 0 50 EFAA Cc1ccoc1C(=O)N[C@](C)(CO)c1cccc(Br)c1 890632292 WZJMBKNRQHUSIU-OAHLLOKOSA-N 338.201 2.988 0 50 EFAA COc1ccc([C@H]2CN(C(=O)Nc3cccnc3)CCO2)cc1OC 1773302040 FEVQLYFFAXXXQD-QGZVFWFLSA-N 343.383 2.704 0 50 EFAA C[C@H](OC[C@H]1CCCO1)c1nc(-c2[nH]nnc2-c2ccccc2)no1 1775987676 QZOGTGYIMOQUBE-WCQYABFASA-N 341.371 2.778 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)[C@H]1CCC=CN1C(=O)OC(C)(C)C 1775994236 ZCNPHMPNVHAHFQ-RRFJBIMHSA-N 338.448 2.662 0 50 EFAA COc1cc([C@H](C)Nc2cc(C)nc(C)n2)ccc1S(C)(=O)=O 1775994287 OUGZUTYQKIWOFZ-NSHDSACASA-N 335.429 2.679 0 50 EFAA C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=C[C@@]2(CCOC2)C1 1775989537 ORKRTLRXEPTKRM-LIRRHRJNSA-N 330.403 2.600 0 50 EFAA Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CNC[C@H]2C(F)(F)F)c1 2325786449 LVTYDKSTXZBGAW-BYNSBNAKSA-N 326.362 2.613 0 50 EFAA COc1ccccc1[C@H]1C[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 2325786909 YVVVGOLXDQFGCY-CTYIDZIISA-N 327.428 2.769 0 50 EFAA O=C(N[C@@H]1c2ccccc2CC1(F)F)c1c[nH]nc1C1CCOCC1 2325796512 WADFUGJORMGMBG-MRXNPFEDSA-N 347.365 2.966 0 50 EFAA Cn1cc(CCNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c2ccc(Cl)cc21 1427361323 FWOGWZIGWHDEIE-YSVLISHTSA-N 347.846 2.993 0 50 EFAA O=C(O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccs1 332869 WUYJBTGLTAOXOL-CYBMUJFWSA-N 337.422 2.511 0 50 EFAA CCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1N 366424 UOXSVOSPAWRHHP-UHFFFAOYSA-N 346.243 2.592 0 50 EFAA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(C)c(C)c1 20602089 CDNQMUUUVUAVNQ-UHFFFAOYSA-N 341.864 2.994 0 50 EFAA COC(=O)c1c(N)n(-c2ccccc2O)c2nc3ccccc3nc12 390217 YWLHZYBGAPWUJZ-UHFFFAOYSA-N 334.335 2.648 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 615501 KYUJPHKWDOGNNB-AWEZNQCLSA-N 337.379 2.637 0 50 EFAA 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COc1cccc(CO[C@H](C)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 229712810 GTDUFCNQBCWTGZ-BRWVUGGUSA-N 348.487 2.837 0 50 EFAA O=C(COc1ccccc1)N1CCN(c2nc3ccccc3o2)CC1 1424657 WXVQWQZDQLXYPS-UHFFFAOYSA-N 337.379 2.555 0 50 EFAA O=C(Nc1ccc(Cl)cn1)NC1CCN(c2nccs2)CC1 281169904 ACRYMHOUNUMHAP-UHFFFAOYSA-N 337.836 2.982 0 50 EFAA C[C@@H](Oc1ccc2c(c1)OCO2)c1n[nH]c(=S)n1C[C@@H]1CCCO1 6007958 DEQBAKNAIBEMMM-PWSUYJOCSA-N 349.412 2.988 0 50 EFAA CCc1nccn1CCC(=O)N1CCN(c2ccccc2C)C[C@@H]1C 77393420 HYLGUGJPWOPEBB-KRWDZBQOSA-N 340.471 2.881 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1Cc1cnn(-c2ccccc2)c1 327374980 SWXSZDBOMIRLAD-LJQANCHMSA-N 333.391 2.884 0 50 EFAA CCc1ccc(CNC(=O)Cc2cccc(S(=O)(=O)CC)c2)cc1 253427541 ALQAOYRRMNXPPR-UHFFFAOYSA-N 345.464 2.902 0 50 EFAA O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CCN2CCC[C@H]2C1 242284626 YIGRGIXAJGLRMJ-OCCSQVGLSA-N 331.441 2.689 0 50 EFAA C[C@H]1NC(=O)CC[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl 281715900 GCKUBDURGZXZPT-NOZJJQNGSA-N 329.227 2.709 0 50 EFAA C[C@H](OC1CCCCCC1)C(=O)NCc1nnc(S)n1C1CC1 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CC(C)COc1ccc(CC(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1 282632826 GKRQUFDLQKAQMO-QGZVFWFLSA-N 344.455 2.581 0 50 EFAA Cc1cc(C)n(-c2cccc(NC(=O)c3cnn4cccnc34)c2)n1 339087916 FQRMPKBIOYAENR-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1ccn[nH]1 174432659 BRSXZGHJXJFCAD-UHFFFAOYSA-N 348.244 2.905 0 50 EFAA COc1cccc(CC(=O)N2CCCC[C@@H]2CCn2ccnc2)c1 82086579 NCLNHRAXMIQNCX-QGZVFWFLSA-N 327.428 2.906 0 50 EFAA COCc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 44920089 GGLLAOSGMZWKDU-UHFFFAOYSA-N 335.360 2.649 0 50 EFAA O=C(c1cccs1)c1ccccc1C(=O)N1CCC(C(=O)O)CC1 238032137 ARUURGHBQCHBEP-UHFFFAOYSA-N 343.404 2.916 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(O)c2sccc2n1 294284977 ULCZFJILAZDTTD-JLLWLGSASA-N 333.413 2.615 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@H](c1ccccc1)C1CCCCC1 294495035 YWBWEUUPVUJJAI-IEBWSBKVSA-N 344.455 2.973 0 50 EFAA Cc1nc(-c2cccnc2N(C)C2CCCCC2)n(CC(=O)O)n1 97243988 IZTGLLGLDSCCNN-UHFFFAOYSA-N 329.404 2.502 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)n1 97528941 KHSXKGBMTPCXPN-ZETCQYMHSA-N 331.298 2.501 0 50 EFAA O=C(NCCCc1ccncc1)C1CCN(C(=O)C2CCCC2)CC1 91691655 BWGMUCPKEQHSSJ-UHFFFAOYSA-N 343.471 2.559 0 50 EFAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ncccc2c1 238197743 IJKRQNMYBNXGMA-QGZVFWFLSA-N 334.375 2.908 0 50 EFAA Cc1cccnc1N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95525568 UBQCMXKSZCGINE-QGZVFWFLSA-N 327.476 2.922 0 50 EFAA CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 91770187 NEXVKBVWLHLNIP-QGZVFWFLSA-N 340.467 2.697 0 50 EFAA Cc1cc2c(NC(=O)N[C@H](C)Cn3nc(C)cc3C)cccc2nn1 96165892 LPWLRSSUKQGOPQ-CYBMUJFWSA-N 338.415 2.962 0 50 EFAA Cc1ccc2nc(C(=O)NCc3nc(C)cc(C(F)(F)F)n3)cn2c1 91894317 PPMDXKSLJWOSQF-UHFFFAOYSA-N 349.316 2.690 0 50 EFAA CN(C(=O)c1ccc(-n2cnnc2)nc1)[C@@H]1CCCc2ccccc21 91594351 BVXQJPPRUFIDHN-QGZVFWFLSA-N 333.395 2.812 0 50 EFAA O=C(c1ccns1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 92077873 KMMJLQZJHGPXSA-SFHVURJKSA-N 347.484 2.931 0 50 EFAA CC(C)N(C)C(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)CN2C 95523443 VQFIQXGTPWGBNU-IBGZPJMESA-N 343.515 2.807 0 50 EFAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(Cl)nc1 93923761 GPKBZZBLQNEWDV-LBPRGKRZSA-N 346.822 2.563 0 50 EFAA CCc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 244724053 MMPCJVXUSQSWNF-UHFFFAOYSA-N 339.439 2.691 0 50 EFAA CNc1nc(CN2CCc3nnc(-c4ccccc4)n3CC2)cs1 243956978 CFDRREGXMLATMX-UHFFFAOYSA-N 340.456 2.502 0 50 EFAA COCc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)C[S@](C)=O 162810498 HPGZLDGBVWHOHE-CHNSCGDPSA-N 332.853 2.717 0 50 EFAA CCc1nnc(NC(=O)CCN2CCC(CSC)CC2)s1 244900224 ZYFAFVVAIDVLPC-UHFFFAOYSA-N 328.507 2.504 0 50 EFAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC2CCCCCC2)C1 244873623 WTBDASXHKHTYFH-KOMQPUFPSA-N 328.464 2.618 0 50 EFAA CCc1nccn1CCCNC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 299801822 YGPHBDMMMZGOCT-CYBMUJFWSA-N 328.416 2.981 0 50 EFAA COCCN1C(=O)CC[C@H]1CCNCc1ccc2ccccc2c1 299789575 XLHIKANZJIMYJQ-IBGZPJMESA-N 326.440 2.957 0 50 EFAA Cc1ccc(NC(=O)CCN2CCCC2=O)cc1NC(=O)C(C)C 828047552 NSXBQWDPHVQPNN-UHFFFAOYSA-N 331.416 2.541 0 50 EFAA COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)S1 584904310 IDORCFZPNOJAMP-DJUFWWRVSA-N 330.446 2.622 0 50 EFAA CCCN(C(=O)c1nnc(C(C)(C)C)s1)[C@H](C)C(=O)OCC 1362599202 KPESRKGWJLCZSO-SNVBAGLBSA-N 327.450 2.639 0 50 EFAA CCc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C2)cs1 1565530617 WTCHLCOAHKDNNL-CABCVRRESA-N 337.489 2.678 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(N[C@@H]2CS[C@H](C(C)C)C2)CC1 408514460 HPLDIWUYYNWXPW-HOTGVXAUSA-N 348.578 2.556 0 50 EFAA C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 268977091 KGQWPNCYGWVIOR-ZWNOBZJWSA-N 345.317 2.511 0 50 EFAA Cc1ccc2cc(C(=O)NC[C@@H]3CCCN3c3cccnn3)ccc2n1 269550876 OBCLLOKSPONAFD-KRWDZBQOSA-N 347.422 2.732 0 50 EFAA O=S(=O)(N[C@@H](c1ccccc1)C1CCC1)c1cnc2[nH]cncc1-2 1474943752 GOCMSEDPTQUIEJ-INIZCTEOSA-N 342.424 2.729 0 50 EFAA O=C(O)c1cc(I)cc(C(F)(F)F)c1O 94986138 XWXRHLBKFJIEAM-UHFFFAOYSA-N 332.015 2.714 0 50 EFAA in-vitro C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@@H](c2ccccc2)CO1 185960197 JWYFJXMNFKPICY-FZKQIMNGSA-N 338.407 2.855 0 50 EFAA O=C(CCC1CCCC1)Nc1cnn(Cc2nnc3n2CCCC3)c1 278374745 RZJRKEKXUIUWKQ-UHFFFAOYSA-N 342.447 2.768 0 50 EFAA O=C(O)c1cccc(CCNC(=O)c2c(Cl)nc3ccccn23)c1 170592301 XRWXOGFMNOXVTN-UHFFFAOYSA-N 343.770 2.658 0 50 EFAA CC(C)c1csc([C@H]2CCCN(C(=O)c3cncnc3N)C2)n1 170595936 CVMMZPVMIUCWOE-NSHDSACASA-N 331.445 2.659 0 50 EFAA O=C(Nc1[nH]c(=O)ncc1F)c1cc(-c2ccccn2)ccc1Cl 170605914 XKUQBEHRSXSUBH-UHFFFAOYSA-N 344.733 2.877 0 50 EFAA CC(C)(C)NS(=O)(=O)c1ccccc1CNC[C@H]1CCC=CO1 194289456 PBHSBTXDHOROMG-OAHLLOKOSA-N 338.473 2.546 0 50 EFAA CCOC(=O)c1ccc(-c2csc(CN3CCOCC3)n2)cc1 195573677 PANOCMWJUQTMIS-UHFFFAOYSA-N 332.425 2.819 0 50 EFAA C[C@@H](O)CC(C)(C)CN[C@H](C)C1(n2cc(Br)cn2)CC1 1775998082 RLJIMAWMAUTQQA-VXGBXAGGSA-N 344.297 2.910 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H]1Cn1ccnn1 1775985219 PRLNVJMPHWNBNP-FVQBIDKESA-N 346.406 2.560 0 50 EFAA CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCCCn2ccnc2)C1(C)C 1775993648 UISRDPMULJYBIE-CABCVRRESA-N 336.480 2.802 0 50 EFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@H](N)Cc1ccccc1 1529172479 IHERNXQMJSDLTI-QGZVFWFLSA-N 334.423 2.904 0 50 EFAA CCNC(=O)c1ccc(NC[C@@H]2CCCN(Cc3ccco3)C2)nc1 1704300942 BZLMJIXSQPPVGQ-HNNXBMFYSA-N 342.443 2.748 0 50 EFAA Cc1c(CNC(=O)c2cc(Br)cn2C(C)C)cnn1C 119263080 NHAZHVHSOFQXPK-UHFFFAOYSA-N 339.237 2.803 0 50 EFAA Cc1cc(N2CCC([C@H](O)CO)CC2)nc2cc3c(cc12)CCC3 1772700939 KBFGFXRRWBCMNH-LJQANCHMSA-N 326.440 2.602 0 50 EFAA CC[C@H](O)CNC1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 12157411 YDHQCFVXDBGAQR-INIZCTEOSA-N 328.460 2.576 0 50 EFAA O=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 15658755 ILDZARSAVJXNII-UHFFFAOYSA-N 325.412 2.795 0 50 EFAA biogenic Fc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19334215 FDXJHUTYPWNBIU-UHFFFAOYSA-N 328.387 2.872 0 50 EFAA CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F 19619291 NPCSOVKQWRZWMH-UHFFFAOYSA-N 348.399 2.676 0 50 EFAA COc1cc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc(OC)c1O 19913671 KCMVERJEDVOOLT-INIZCTEOSA-N 346.471 2.883 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(c3nc(C)nc4cc[nH]c34)CC2)O1 1857697326 PMBFVFGWTBQHMJ-KGLIPLIRSA-N 330.432 2.555 0 50 EFAA C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ocnc2C2CC2)C1 408521815 KHWQOKRLGZGDKM-AAEUAGOBSA-N 334.416 2.992 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@@H]21 423528366 NWDHYUDNGCRYCY-VHDGCEQUSA-N 345.443 2.682 0 50 EFAA CCOC(=O)c1csc([C@@H]2CCCN2Cc2nnc(C)s2)n1 242047880 VQURCJCTMFUKEE-NSHDSACASA-N 338.458 2.817 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2oc(C)cc2c1 247910425 DJIWSNBWULEWMW-PBHICJAKSA-N 326.396 2.824 0 50 EFAA CCCN1CCC[C@@H](c2nc(CC(=O)Nc3ccccc3)no2)C1 822922681 ACLVRRQTEBGLCM-CQSZACIVSA-N 328.416 2.840 0 50 EFAA C[C@H]1CN(C(=O)c2ccnc3[nH]c(CC4CC4)nc23)C2(CCC2)CO1 824008948 HPQDRICNYAYNQT-LBPRGKRZSA-N 340.427 2.694 0 50 EFAA CC(C)Cn1ccc2c(C(=O)OCc3cc(O)nc(O)n3)cccc21 1875265314 GLMWNWSSXJCFKN-UHFFFAOYSA-N 341.367 2.856 0 50 EFAA O=C1Cc2cc(C(=O)NC[C@@H]3CCC(F)(F)C3)c(Cl)cc2N1 1875264308 BZTZJTXMOBSVIQ-MRVPVSSYSA-N 328.746 3.000 0 50 EFAA O=C(C[C@@H](O)c1ccccc1)N1CC[C@@H](CO)[C@H](c2ccccc2)C1 1875312899 JLVYHYJKIAWPLF-SLFFLAALSA-N 339.435 2.735 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc(Oc3ccccn3)c2)cn1 1875381207 NLQBWENQAQJVSF-WAIKUNEKSA-N 336.395 2.871 0 50 EFAA O=C(O)C[C@H]1C[C@@H](NCc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 1875317064 OBQMHEGAYARJOG-FZNQNYSPSA-N 342.395 2.715 0 50 EFAA CCc1nc(CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)cs1 886041451 XLFMGZCSTKYNRW-QGZVFWFLSA-N 346.500 2.815 0 50 EFAA CCN1CCO[C@@H](CN[C@H](C)c2cc(C)c(C)o2)[C@@H]1c1nccn1C 886085181 FHQWXYIOAXVQEK-FHLIZLRMSA-N 346.475 2.743 0 50 EFAA CCCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn2cccnc12 1184483567 GSZINPBZZXZBCM-UHFFFAOYSA-N 344.440 2.639 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 90787 KXTMXPMVCQEPKV-AWEZNQCLSA-N 339.395 2.780 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)Nc1noc2ccc(F)cc12 2100483049 OGPAHRLOOFRVCD-UHFFFAOYSA-N 330.319 2.651 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCOc3ccccc32)c1 2325785267 MVJAREIAFJHGHT-GFCCVEGCSA-N 342.370 2.611 0 50 EFAA OCc1nc2cccc(-c3nc(-c4ccc(F)c(O)c4)no3)c2[nH]1 2325870773 OFYLXCVOFYWELE-UHFFFAOYSA-N 326.287 2.617 0 50 EFAA COc1ccc(C)cc1-n1ccc(C(=O)N2CCc3cnccc32)n1 118709313 PIZIOCDODFNXOC-UHFFFAOYSA-N 334.379 2.787 0 50 EFAA CCc1ccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 119339645 JFHZLBJATNUWPM-QGZVFWFLSA-N 338.455 2.735 0 50 EFAA CC(=O)NC1CCC(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 133708153 PYAOTRVATXGGQH-GNNGFNCTSA-N 338.398 2.832 0 50 EFAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 53943 ZKMFIOCLFNQKNP-UHFFFAOYSA-N 339.442 2.929 0 50 EFAA COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1O 187073 FJJFUMBHEOHXLC-PBHICJAKSA-N 338.363 2.570 0 50 EFAA biogenic O=C(c1ccc(O)cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 352095 HOUUJZSFWDPLLD-SMDDNHRTSA-N 328.290 2.645 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1C(F)(F)F 617861 BTHKCQQUEAEYOU-LBPRGKRZSA-N 338.289 2.759 0 50 EFAA O=C(O)CCCC(=O)Nc1ccc(C(=O)Nc2ccccn2)cc1 794592 KABYXPZHOZNVJN-UHFFFAOYSA-N 327.340 2.527 0 50 EFAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 470939 RJPQJOIMWSGGHR-UHFFFAOYSA-N 349.408 2.738 0 50 EFAA COc1cccc(OCc2nn3c(-c4cccnc4)nnc3s2)c1 4511767 CVLWARWXRNYNFS-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 6704127 WTGXKOWHSQCKRU-OAHLLOKOSA-N 338.473 2.639 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCC1=CCCCC1 10314343 DEYVCZJDVLBVOF-UHFFFAOYSA-N 336.457 2.987 0 50 EFAA CCC[C@@H](CC)S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 225549581 QYBBENMKFFFLOD-HUUCEWRRSA-N 328.478 2.915 0 50 EFAA O=C(CCN1C(=O)CCC1=O)Nc1ccccc1Oc1ccccc1 9114550 UJNIOBNYAKZBKC-UHFFFAOYSA-N 338.363 2.957 0 50 EFAA O=C1CC[C@H](NC(=O)c2ccc3c(Br)cccc3c2)CN1 225605319 HWGFRGPBOMAWQB-LBPRGKRZSA-N 347.212 2.611 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c(C)c1 225852540 XPXDGCCIOISYME-ZDUSSCGKSA-N 341.415 2.787 0 50 EFAA Cc1ccc(N2C(=O)/C(=C/N3CCOCC3)c3ccccc3C2=O)cc1 100136947 PQBLHFVPYLVWAE-XMHGGMMESA-N 348.402 2.855 0 50 EFAA Cc1ccccc1CCC(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 20454359 IXSRGIJESGILCO-IBGZPJMESA-N 343.515 2.602 0 50 EFAA COc1cccc(-c2cnnc(N(C)CC[C@@H]3CCCCO3)n2)c1 12386823 MRLMPJMOHMEHPX-HNNXBMFYSA-N 328.416 2.943 0 50 EFAA Cn1cccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 253398573 XCLZZPKOLHTBOM-AUUYWEPGSA-N 340.427 2.555 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=S)NCc2ccccc2)C[C@@H](C)O1 229682278 DOEXQRBEEXPMMD-SOLBZPMBSA-N 347.528 2.635 0 50 EFAA O=C(O)c1ccccc1CCNS(=O)(=O)c1ccccc1Cl 315422681 OGMWLQHYNJFWQG-UHFFFAOYSA-N 339.800 2.559 0 50 EFAA O=C(c1ccccc1Oc1ccccc1)N1CCC(O)(C(=O)O)CC1 71761524 OOMJNUMJDJLNME-UHFFFAOYSA-N 341.363 2.531 0 50 EFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)CCC2CC2)CC1 72418178 AMZUJBIVUOEAHL-UHFFFAOYSA-N 347.411 2.710 0 50 EFAA O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 6730686 QVLAYGXJFWHKFA-MUDYYLEHSA-N 348.487 2.600 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(c2cc(NCC3CC3)ncn2)C1 281678279 MCPQTWXHRXEYPU-HOTGVXAUSA-N 328.391 2.750 0 50 EFAA CNc1nc(C)cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)n1 253417935 IUQCYFXPDHYHAY-WMLDXEAASA-N 340.427 2.737 0 50 EFAA CC(=O)N1CSC[C@H]1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F 253425767 OTBZBLSKCKRVBX-GXTWGEPZSA-N 346.374 2.502 0 50 EFAA CSc1ccc(C)c(C(=O)NC[C@H]2CCCN2c2cccnn2)c1 253427090 VPUOHWXYYRYVRC-CQSZACIVSA-N 342.468 2.906 0 50 EFAA COc1ccsc1C(=O)N1CCC[C@H](Nc2ccc(N)nc2)CC1 328631363 KKVJRYCNBMXQQL-LBPRGKRZSA-N 346.456 2.841 0 50 EFAA CCc1nsc(N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1 328642839 YNRWGJNXUDGRAT-XJKSGUPXSA-N 348.520 2.743 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 153922021 CWHOEDYZWWUMRT-CVEARBPZSA-N 344.463 2.528 0 50 EFAA CC(C)c1nccc(CN2CCC[C@H](CNC(=O)C3CCC3)C2)n1 71315026 ASRRFIOEMKXCIE-OAHLLOKOSA-N 330.476 2.728 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 155688028 DWRRILCLZKREPN-GOSISDBHSA-N 333.432 2.796 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCCC[C@H]2CCn2cccn2)cc1 216246572 HTBRPLOOQXREAC-KRWDZBQOSA-N 347.484 2.731 0 50 EFAA Cn1c(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)cc2c(Cl)cccc21 72156139 GDSZYGNOEUZCGD-KRWDZBQOSA-N 347.802 2.546 0 50 EFAA Cc1cc(C)n(-c2cncc(N3CC[C@@H](O)c4ccccc4C3)n2)n1 369283201 MSGQDVOGLZHAJL-QGZVFWFLSA-N 335.411 2.723 0 50 EFAA CC(C)(C)NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 157185634 NXDKHCOVYWANNZ-UHFFFAOYSA-N 329.444 2.796 0 50 EFAA CCOc1cccc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c1 263004183 MOTLIWFWYOHHGB-CQSZACIVSA-N 331.290 2.565 0 50 EFAA CN(C)c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cn1 46509870 VWWUJTPTELPRPH-QGZVFWFLSA-N 341.411 2.958 0 50 EFAA O=S(=O)(C[C@@H]1CCC2(CCC2)O1)NCCc1cc(F)cc(F)c1 1365640038 AGLHOGGOSFIBEJ-HNNXBMFYSA-N 345.411 2.528 0 50 EFAA CC1(C)C[C@@H](NC[C@H](O)COc2cccc3[nH]ccc23)C(C)(C)O1 132589805 QIFXQNIQUWSMRA-SUMWQHHRSA-N 332.444 2.843 0 50 EFAA Cc1ccc(C(=O)NCCC(=O)N(C)CC[C@@H]2CCCCO2)cc1 221387190 CVTHSTWRCLBCDR-KRWDZBQOSA-N 332.444 2.533 0 50 EFAA COc1cc(F)c([C@H](C)NC(=O)C(F)(F)C(F)F)cc1OC 176701181 RVDUPXOWOKKNIM-LURJTMIESA-N 327.249 2.921 0 50 EFAA Cc1ccc(O)c(-c2ccc(C(=O)N(C)[C@@H](C)CC(N)=O)cc2)c1 426550124 YLZSFUHVRYIJSU-ZDUSSCGKSA-N 326.396 2.704 0 50 EFAA COc1cc(F)c(-c2nccn2-c2ccc(C(N)=O)cc2)c(F)c1 82097013 CRWYWLNZJYTMLV-UHFFFAOYSA-N 329.306 2.925 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cc(F)ccc1F 222357782 AQMHUSFPRDUZJJ-SJORKVTESA-N 339.382 2.764 0 50 EFAA Cc1ccc(OCCN2CCn3nc([C@H](O)C4CC4)cc3C2)cc1C 220696875 MWDQSXHTTIJGMF-HXUWFJFHSA-N 341.455 2.838 0 50 EFAA O=C(c1cc(Cl)c[nH]1)N1CCN(C2Cc3ccccc3C2)CC1 426534013 GWNZYPMCMCZNEH-UHFFFAOYSA-N 329.831 2.593 0 50 EFAA COc1cccc(OC2CN(C(=O)[C@@H]3COc4ccccc4C3)C2)c1 82098332 STKMWLZNNVDFAS-HNNXBMFYSA-N 339.391 2.536 0 50 EFAA Cc1nc2nc3ccn(C4CC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398543 ZVUYGPDYVCEWAW-UHFFFAOYSA-N 335.342 2.889 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)c3cccc(OC(C)C)n3)C2)n1 179026025 HNDKKHFLMVHAMG-CYBMUJFWSA-N 330.388 2.580 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(N(C)C)c3)[C@H]2C1 426515502 JSMKQOMZSSBOOL-JENIJYKNSA-N 332.444 2.551 0 50 EFAA Cc1c(S(=O)(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cnn1C 292465178 ZGMANXBAWRSUMK-IAGOWNOFSA-N 343.452 2.738 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc2cc(C)ccc2n1 20607777 VDSDONLPKIWRMX-MRXNPFEDSA-N 335.367 2.597 0 50 EFAA Cc1nc(N(C)C)ncc1C(=O)N1CCc2ccc(F)cc2[C@@H]1C 97815452 OFDZTUNXRKVDHT-LBPRGKRZSA-N 328.391 2.750 0 50 EFAA CNc1cc(C(=O)NC2CCN(Cc3cccs3)CC2)ccn1 97657242 UKOFMLWPHPPLCY-UHFFFAOYSA-N 330.457 2.579 0 50 EFAA C[C@@H]1CN(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)CCCO1 426361215 ILYDUYXMKRNZBM-GFCCVEGCSA-N 332.379 2.536 0 50 EFAA Cc1nn(CC(=O)N2CCCC[C@H]2CCn2cccn2)cc1Cl 95363791 QDVHDVKYONJGEC-AWEZNQCLSA-N 335.839 2.513 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](C)c2nncn2C2CCCC2)CC1 95390917 SKKWWJMGOSZKLY-CQSZACIVSA-N 333.480 2.691 0 50 EFAA Cc1scc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1C 180375135 IJHUGJMEQLAVQL-UHFFFAOYSA-N 344.436 2.669 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@H](c1ccccc1)C1CCCC1 294498127 ZFXWAHQSSKQJRB-SJLPKXTDSA-N 330.428 2.583 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1CCC3(CCCC3)C1)CC(=O)N2 91585605 CUTFNMPXQWACQS-OAHLLOKOSA-N 328.412 2.914 0 50 EFAA O=C(c1ccncc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91644749 CLTQKRQTFVQBHF-GOSISDBHSA-N 347.422 2.741 0 50 EFAA O=C(Cc1ccncc1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 244828597 TZCGPMZUMUYUFC-WRSAYESZSA-N 332.350 2.531 0 50 EFAA Cc1nc(O)cc([C@H]2C[C@H](NC(=O)COc3ccc(C)c(C)c3)C2)n1 253535459 RXDXSUITCDXYKB-SHTZXODSSA-N 341.411 2.549 0 50 EFAA Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)ccn1C 534664709 UILLJPGOZZUFID-MRXNPFEDSA-N 329.419 2.867 0 50 EFAA COCCc1nc(Cc2ccccc2OC)nn1CC(F)(F)F 824462515 XJWHFQNWOXQQBM-UHFFFAOYSA-N 329.322 2.629 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1cc2c(nc1O)CCCC2 828146912 AJHZHOXPSPGCCT-UHFFFAOYSA-N 342.443 2.806 0 50 EFAA COCCN1CC[C@@H](c2ncnn2-c2cccc(C(F)(F)F)c2)C1 670472133 SQPSBEDPVDVYDS-GFCCVEGCSA-N 340.349 2.722 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cc(Br)c[nH]2)c2ccccc21 131967504 NGWQCKRNPGFERS-JTQLQIEISA-N 335.157 2.606 0 50 EFAA Cc1noc(C)c1CCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952966943 GNHRTXFZXOHRKM-JTQLQIEISA-N 328.372 2.792 0 50 EFAA O=C([C@@H]1CCC[C@H](O)C1)N(Cc1ccc(O)cc1)Cc1cccnc1 1565516947 NHUWFJNGBLIOEN-MJGOQNOKSA-N 340.423 2.867 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NCc2cc3ccccc3nc2O)CCO1 275500616 JOYRWUFVBPBEJU-YJBOKZPZSA-N 338.411 2.684 0 50 EFAA CCOc1nc(C)ccc1C(=O)N1CCOC[C@H]1c1ccc(C)o1 276787240 SERIFGWDTOBOFB-HNNXBMFYSA-N 330.384 2.904 0 50 EFAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2ccn(C)c2c1 633202062 VCVBZRCSFOCWNS-QGZVFWFLSA-N 327.428 2.555 0 50 EFAA Cc1cccc(C)c1NC(=O)NCCn1c(S)nnc1C1CC1 170656774 CWNHQZLRUKJNEP-UHFFFAOYSA-N 331.445 2.883 0 50 EFAA C[C@@H](c1nnnn1C)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 189071392 UHXFCUVRFUJBRK-ZANVPECISA-N 342.230 2.651 0 50 EFAA C[C@@H](C(=O)NCc1nc(C(=O)O)cs1)c1ccc(Cl)s1 190998920 DXFUEVWMQVIKDZ-ZCFIWIBFSA-N 330.818 2.976 0 50 EFAA O=S(=O)(N1CCC=C(c2ccco2)C1)N1CCc2ccccc2C1 671687740 WIGYYAMTFMLTGP-UHFFFAOYSA-N 344.436 2.672 0 50 EFAA C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)CCS1(=O)=O 192326395 ZQSKHFAVDAXIBF-ZLPCBKJTSA-N 349.496 2.996 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)c2cnc(C(C)C)s2)(C(=O)O)C1(C)C 193026284 QAUUJQICNGZMGL-MEDUHNTESA-N 340.445 2.655 0 50 EFAA COc1cccc([C@@H](OC)C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c1 659147365 YWWDANOPUJCTFT-GDBMZVCRSA-N 349.427 2.732 0 50 EFAA O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCc2nccnc2C1 659803826 OWFCLCIBWXFRMD-AWEZNQCLSA-N 338.194 2.967 0 50 EFAA C[C@@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1ccn(C)n1 661315901 UHMMASZETMTJNG-LLVKDONJSA-N 332.379 2.661 0 50 EFAA CC(C)Oc1cccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1 1615736050 KCJGVVNPAFAIMI-HKUYNNGSSA-N 340.423 2.856 0 50 EFAA CC[C@@H](C)N(Cc1ccncc1)S(=O)(=O)c1ccccc1C(=O)O 1506413899 AGTGAGYUAHZYMK-CYBMUJFWSA-N 348.424 2.769 0 50 EFAA CCc1c(C)nn(C)c1NC(=O)CCc1nc(-c2ccccc2)no1 1529110304 LRNQIJVMSCQYEI-UHFFFAOYSA-N 339.399 2.912 0 50 EFAA Cc1ccccc1[C@H]1CN(CCCn2ccnc2C)C[C@@H]1C(=O)O 216173593 FHBVKROUYFAJTB-MSOLQXFVSA-N 327.428 2.690 0 50 EFAA CCN(C)c1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ncn1 1704338556 UWTZMRQTUWGQTC-LBPRGKRZSA-N 334.445 2.509 0 50 EFAA COc1ccc(CCN2C[C@@H](NCc3ccc(C)o3)CC2=O)cc1 12385708 ULSOEUVJFKEBGL-INIZCTEOSA-N 328.412 2.530 0 50 EFAA NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 12731750 QGHLVYKZHXHMCA-CLFYSBASSA-N 347.374 2.809 0 50 EFAA O=C(CCC1CCCC1)N1CCC(=O)N(CCN2CCCCC2)CC1 14973334 XIMCCVNLIRNDMD-UHFFFAOYSA-N 349.519 2.504 0 50 EFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1oc2ccccc2c1C 151785436 NONGIRBAUULORI-UHFFFAOYSA-N 339.395 2.690 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccccc3F)n[nH]c21 1857529136 KQIRFGMLBRJONU-NEPJUHHUSA-N 347.390 2.722 0 50 EFAA O=C(c1ccc2nsnc2c1)N1CCC(C2CCNCC2)CC1 1857670994 KATFAOOIVJJLKR-UHFFFAOYSA-N 330.457 2.543 0 50 EFAA C[C@@H](CN(C)C(=O)CC1CCC(C(F)(F)F)CC1)c1nnn[nH]1 124176179 HNEFWGOCMNQVMN-WHXUTIOJSA-N 333.358 2.520 0 50 EFAA Cc1ccc(-n2nnnc2N2CC[C@]3(C2)OCc2ccccc23)cc1 302244866 KDWAARPARPHUKK-LJQANCHMSA-N 333.395 2.607 0 50 EFAA O=S(=O)(NCCOc1cccc2cccnc12)c1ccc(F)cc1 2876149 TZTKRJYVFJUQHC-UHFFFAOYSA-N 346.383 2.731 0 50 EFAA O=C(O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1 238213044 KIFSBQUDDFQPHD-UHFFFAOYSA-N 338.363 2.873 0 50 EFAA CC(C)(C(=O)N[C@@H]1CCC(=O)NC1(C)C)c1cccc(Cl)c1F 338517652 OCKITGAPSGKGPD-GFCCVEGCSA-N 340.826 2.930 0 50 EFAA COc1cccc([C@H](NC(=O)c2ccc3c(c2)CCC3)C(=O)O)c1 659173117 BEFXSTIISGQEFF-KRWDZBQOSA-N 325.364 2.740 0 50 EFAA CO[C@@](C)(CNC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 459006434 FGSJAYPAXVJVAD-SFHVURJKSA-N 332.444 2.760 0 50 EFAA Cc1cc(C)n(-c2ccccc2CNC(=O)CC[C@H]2CCOC2)n1 155299742 WKONCZDPIKCCCA-INIZCTEOSA-N 327.428 2.922 0 50 EFAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1cnccc1N(C)C)CC2 368118528 HXXVFZOJDVXLIB-AWEZNQCLSA-N 339.439 2.958 0 50 EFAA COc1cc(C(=O)O)ccc1NC(=O)c1ccnn1C1CCCC1 262942476 MGNJFWLIYOKCLL-UHFFFAOYSA-N 329.356 2.957 0 50 EFAA CCCNC(=O)C1CCN(Cc2ccc(C(=O)O)c(Cl)c2)CC1 901428608 ANOPWJNWTONJSA-UHFFFAOYSA-N 338.835 2.776 0 50 EFAA O=C(c1ccsc1C(F)F)N1CCC[C@]2(CCS(=O)(=O)C2)C1 821766608 FYFGMHICOAXVON-AWEZNQCLSA-N 349.424 2.727 0 50 EFAA O[C@@H](CN1CCC[C@H]1c1nc[nH]n1)c1ccc(Cl)c(Cl)c1 931142801 GKXQMYDMXXNXGU-STQMWFEESA-N 327.215 2.982 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1119715311 REZRQMAPVXEXQE-LJQANCHMSA-N 348.406 2.910 0 50 EFAA CN1CCN(C(=O)Nc2ccc(C(C)(C)C)nc2)C[C@@H]1c1ncc[nH]1 934835752 WNADEPRXALMNAI-CQSZACIVSA-N 342.447 2.623 0 50 EFAA O=C(Nc1ccc(NCc2cc3n(n2)CCCC3)nc1)C1CCC1 1875280087 TVVXBYZRXBVATQ-UHFFFAOYSA-N 325.416 2.965 0 50 EFAA C[C@H](NCc1cnn2ccccc12)c1cc(C2CCOCC2)nn1C 1875285139 DFTQLTNGULHIPM-AWEZNQCLSA-N 339.443 2.813 0 50 EFAA Cc1nc(C2CCN(C(=O)Nc3ncc(C4CC4)s3)CC2)n[nH]1 1875278281 NDPCSIDOSRPAHX-UHFFFAOYSA-N 332.433 2.859 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnc4ncccn34)cc2)n1 1875323107 XHERVDVLIIZGFL-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CCc1nc2sc(C)cn2c1C(=O)NC[C@@H]1CCc2c[nH]nc2C1 1875320563 FIFZZZAYJPOCGX-LLVKDONJSA-N 343.456 2.525 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1coc(Br)c1 248161736 XTFAPWPRWIFADP-VXGBXAGGSA-N 327.222 2.741 0 50 EFAA CCn1nc(C(=O)N2CC[C@H]2C2CCCC2)c(=O)c2ccccc21 889400204 FRQLTCIHNPNUSC-HNNXBMFYSA-N 325.412 2.821 0 50 EFAA O=C(Nc1ccnn1C1CCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 890353146 DHYPOEVBQLFSJQ-LBPRGKRZSA-N 342.374 2.739 0 50 EFAA O=[S@@](c1ccccc1N1C[C@H]2CC[C@@H](O)C[C@H]2C1)C(F)(F)F 1775998470 DPSHFEWMQSLPHI-VQCIFBRSSA-N 333.375 2.911 0 50 EFAA Cn1ncc(Br)c1CNC[C@@H](O)c1ccc(Cl)cc1 278275968 ALRIMFGUHPYKKL-CYBMUJFWSA-N 344.640 2.659 0 50 EFAA CC(C)[C@@H]1COCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 2325784153 DMADHYHMSINRAI-SFHVURJKSA-N 327.428 2.676 0 50 EFAA Cc1cc(Br)cc2c(C(=O)N3CC[C@H]3CF)n[nH]c12 2325802091 GXXJCBVVHSVKPH-VIFPVBQESA-N 326.169 2.818 0 50 EFAA CN(Cc1cccc(-c2nn[nH]n2)c1)CC1CC(C(F)(F)F)C1 2325811671 PRSLNBQWDMHYRE-UHFFFAOYSA-N 325.338 2.887 0 50 EFAA C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(n2)CCNC3)Cc2ccccc21 2325868636 DSRISZXXJFEPRA-RHSMWYFYSA-N 335.451 2.966 0 50 EFAA O=C(c1cccnc1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 69788 SUYMDQIIVHEGDV-RISCZKNCSA-N 327.306 2.725 0 50 EFAA COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2ccco2)C1 376041 NARIVMLVRMYFLW-AWEZNQCLSA-N 342.351 2.831 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)s1 451878 WBVBXPZHMSICBH-SNVBAGLBSA-N 345.218 2.702 0 50 EFAA CC1(C)CC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C1 613460 PPILDVSTZPVUHZ-UHFFFAOYSA-N 325.368 2.973 0 50 EFAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc2ccccn2c1 245465759 QLWJBCAEOPUISC-OXJNMPFZSA-N 348.450 2.975 0 50 EFAA Cc1ccc(S(=O)(=O)[C@H](NC(=O)O)C(Cl)(Cl)Cl)cc1 6507159 RKHDDALHBKHTIT-QMMMGPOBSA-N 346.619 2.733 0 50 EFAA COc1ccc(OC)c(NS(=O)(=O)c2cc(F)ccc2F)c1 6706610 FZBKPTHVZNUNTL-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA COc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 7609872 MBOJODSXRNRTOL-UHFFFAOYSA-N 335.363 2.604 0 50 EFAA biogenic Cc1nc2ccncc2cc1OCC(=O)N[C@H]1CCOc2ccccc21 225459669 UHEJEYBOVQUYDW-KRWDZBQOSA-N 349.390 2.957 0 50 EFAA CC(C)C(=O)N1CCC(CNC[C@@H]2CCCN3CCCC[C@H]23)CC1 55393566 SJXVUWOUJLONHR-RBUKOAKNSA-N 335.536 2.735 0 50 EFAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cnc2c(-c3ccccc3)cnn2c1 102465427 RBJHUPGEZHPFHU-PIIMJCKOSA-N 334.423 2.884 0 50 EFAA Cc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 101672788 GMPMVQABFDVOOE-JBJRXJHCSA-N 338.407 2.519 0 50 EFAA Cc1csc(CCCCNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 246935910 NLVLJZLJHBXUNO-NWANDNLSSA-N 337.489 2.887 0 50 EFAA COCc1cccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 348246892 QNQVNQGKUVLGGK-RBUKOAKNSA-N 343.398 2.849 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@H](O)C[C@H]3c3ccc(F)cc3)nc2c1 348265979 XPFSBZNMPREHGC-WBVHZDCISA-N 339.370 2.730 0 50 EFAA CN(Cc1ccon1)C(=O)c1cc(-c2cncnc2)nc2ccccc12 63857249 HHDIDBFBZROPLC-UHFFFAOYSA-N 345.362 2.952 0 50 EFAA CC(C)COc1ccccc1CNC(=O)[C@@](C)(O)C1CCOCC1 432412700 IBQUFHKUVUREMY-IBGZPJMESA-N 335.444 2.515 0 50 EFAA C[C@H](NC(=O)c1cc(C(=O)O)nn1-c1ccccc1)c1nccs1 137320950 SALSUTNMGFNSKB-JTQLQIEISA-N 342.380 2.518 0 50 EFAA COC[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)c1ccnn1C 65435962 SEVLVIPHMQTJMM-AWEZNQCLSA-N 344.802 2.739 0 50 EFAA O=C1C[C@@H](C(=O)N2CCc3sccc3C2)c2cc(F)ccc2N1 20137219 ZVORCOUHIUIURT-CYBMUJFWSA-N 330.384 2.898 0 50 EFAA Cc1cc(N(C)C)nc(NCCNC(=O)Nc2cccc(C)c2C)n1 65363214 ILLYQNVSHHFKAK-UHFFFAOYSA-N 342.447 2.701 0 50 EFAA O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@H]1c1ccccn1)OCO3 67770974 IGVBBKGTVKHIEN-KRWDZBQOSA-N 349.390 2.989 0 50 EFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)OC)CC1 280982214 JFLDBWCHZBMJRE-JYJNAYRXSA-N 347.459 2.936 0 50 EFAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(C(C)C)cc1)C2 65526538 HJSRVADNLIXKSU-UHFFFAOYSA-N 341.411 2.839 0 50 EFAA O=C(O)CNc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1 188412 GUJSTPHTCSSHSP-UHFFFAOYSA-N 338.323 2.953 0 50 EFAA Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccsc3)C2)cc1 229817484 DMXIADLUNFKTPO-DOTOQJQBSA-N 345.468 2.668 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1)C1CC1 252497676 QMVAXAXAHRMZER-UHFFFAOYSA-N 341.455 2.641 0 50 EFAA O=C(C[C@@H]1CCCO1)O[C@H]1CCCC[C@H]1OC(=O)C[C@@H]1CCCO1 252482963 DRDOYQFHKHWSRK-YHUYYLMFSA-N 340.416 2.522 0 50 EFAA COc1ccc(NC(=O)N2CCN(c3cc(F)ccc3F)CC2)cn1 426620812 RRNHYCPSPWBJJN-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA COc1ccc2c(c1)c([C@H]1NC(N)=Nc3nc4ccccc4n31)cn2C 4623182 FIZWMCLQSFCKDM-KRWDZBQOSA-N 346.394 2.633 0 50 EFAA O=C(O)C[C@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 4720671 YDLVDMUKKCZZHI-HNNXBMFYSA-N 341.363 2.680 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)CC1 73202092 CGMDZRLWGKHLAT-MRXNPFEDSA-N 331.504 2.920 0 50 EFAA COc1coc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1=O 253395820 SQVCFWGXIKYKBJ-FEAKQIBJSA-N 325.364 2.966 0 50 EFAA Cc1cccnc1[C@@H](O)C(=O)N(C)Cc1ccc(Br)cc1 328594470 MIRGNODDAWTERN-OAHLLOKOSA-N 349.228 2.845 0 50 EFAA O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CSCN1 253419643 CQLOCECHVWCEJP-LBPRGKRZSA-N 345.449 2.835 0 50 EFAA Cn1nccc1-c1ccc(F)cc1OCc1ccc(C(N)=O)cc1 358629634 FGANRLHPIOKGNX-UHFFFAOYSA-N 325.343 2.904 0 50 EFAA CCNC(=O)CCN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71730355 MAGOHTCSJLHUAP-IBGZPJMESA-N 349.494 2.884 0 50 EFAA O=C(c1ccc[nH]1)N1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 216224799 ZWDNMHHNUXAJGZ-QGZVFWFLSA-N 343.427 2.807 0 50 EFAA O=C(c1cc2ccccc2nc1O)N1CC[C@@H](Oc2ccccn2)C1 363794490 WEHMMMMNQRDJOJ-CQSZACIVSA-N 335.363 2.629 0 50 EFAA O=C1C[C@@H](C(=O)N2CCOCc3ccccc32)c2ccc(F)cc2N1 366339333 BDYXJPHCSKKUHX-OAHLLOKOSA-N 340.354 2.815 0 50 EFAA CCOc1ccc(C(=O)N2CCC(n3ccnn3)CC2)cc1OCC 155638746 LZWUMZOLEKPDOU-UHFFFAOYSA-N 344.415 2.553 0 50 EFAA CC(=O)N[C@H]1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)C1 71661707 QWHJDFWVAMZVSE-LBPRGKRZSA-N 335.354 2.639 0 50 EFAA CCC(CC)(CNC(=O)c1ccc2nc(S)oc2c1)C(=O)OC 128390142 CVWKBDJFQBKWJX-UHFFFAOYSA-N 336.413 2.826 0 50 EFAA CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCNC1=O 78394902 ZYFOATVAEMAPLV-SNVBAGLBSA-N 345.321 2.504 0 50 EFAA CN(OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 157844447 MAADZFVXBGBNNZ-UHFFFAOYSA-N 341.289 2.989 0 50 EFAA O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H]1C[C@H]1C(=O)O 262457904 XLTRZTQJAVLGHR-DXMSMQRWSA-N 349.452 2.927 0 50 EFAA CC[C@H](Cn1ccnc1)NC(=O)c1cccc(CC2CCNCC2)c1 72167512 LACRHGOJRFWMPD-LJQANCHMSA-N 340.471 2.634 0 50 EFAA O=C(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 72165099 JHUWSQCCYHRFGE-OAHLLOKOSA-N 349.477 2.961 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3nncn3c2)[C@@H](C)CO1 174399605 ZXWMKKLLZOQCAA-YOEHRIQHSA-N 336.395 2.640 0 50 EFAA CCCCC1CCC(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 338312779 CFRHNJYYRDJWPZ-GPANFISMSA-N 344.521 2.717 0 50 EFAA CC(C)(O)c1cn(C2CCN(C(=O)[C@@H]3CC34CCCCC4)CC2)nn1 48134960 FSRWHVOYJDNZDK-HNNXBMFYSA-N 346.475 2.639 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nc3ccccc3o1)CO2 221386131 WPSGTUVZGPWZNZ-CYBMUJFWSA-N 338.363 2.704 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ncccc2OC)c1 426513492 BRLYPNCLZGPMSZ-QGZVFWFLSA-N 339.439 2.971 0 50 EFAA Cc1cc(CN(C)C(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)no1 292325602 ANUOTHHNGDPWMN-CYBMUJFWSA-N 328.416 2.887 0 50 EFAA CC[C@@]1(C(=O)O)CCCN(C(=O)C2(c3ccc(OC)cc3)CC2)C1 91547442 NMAGTIOHXXVYNJ-GOSISDBHSA-N 331.412 2.830 0 50 EFAA CCn1cc(CN(C)C(=O)c2c(C)oc3c2C(=O)CCC3)c(C)n1 426504650 UREHERXRGHWQJQ-UHFFFAOYSA-N 329.400 2.904 0 50 EFAA Cc1nc2ccc(C(=O)N(C)Cc3n[nH]c4c3CCC4)cc2nc1C 95354270 OVYVAMYYTVBPPS-UHFFFAOYSA-N 335.411 2.731 0 50 EFAA O=C(NCCc1c[nH]cn1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95355911 XNRNYUBEJCQVBU-UHFFFAOYSA-N 349.369 2.836 0 50 EFAA CN(Cc1ccon1)[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1 95357184 XZERRZLKPQBENV-GFCCVEGCSA-N 330.262 2.831 0 50 EFAA CNC(=O)c1ccc(OC)c(-c2ccc(NC(=O)N(C)C)cc2)c1 96139117 VLRAXKXHWBYRAV-UHFFFAOYSA-N 327.384 2.815 0 50 EFAA Cc1ccc(C2(O)CCN(Cc3nc(-c4ccco4)no3)CC2)nc1 244690876 IYLNRENQZROKMU-UHFFFAOYSA-N 340.383 2.517 0 50 EFAA CCCCS(=O)(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244899764 ZPQXMBABJAXVJF-UWWQBHOKSA-N 348.468 2.766 0 50 EFAA C[C@H](CN(Cc1ccccc1)Cc1nccs1)N1CCOCC1 240517192 NWMIEZAOCCDYCG-MRXNPFEDSA-N 331.485 2.866 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(CC(=O)NC1CCCCCC1)C2 243892583 AJGKJRSBTSMKNC-UHFFFAOYSA-N 330.476 2.929 0 50 EFAA CC(C)Cn1ncnc1CN1CCCN(Cc2ccc(F)cc2)CC1 182609406 HSSRUMARQPZLSF-UHFFFAOYSA-N 345.466 2.781 0 50 EFAA CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 297414927 PLQAXHQCARGLJX-KRWDZBQOSA-N 337.423 2.612 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)COC[C@@H]1CCCCO1 252485470 GWDCXFXENHFWHQ-KRWDZBQOSA-N 330.428 2.685 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 252536010 HLCKNSBAKRHYHC-OXFYSEKESA-N 349.434 2.604 0 50 EFAA O=C(CCCc1cccs1)NCc1cccc(-c2nn[nH]n2)c1 534592078 HFDKKNVSBGKNFS-UHFFFAOYSA-N 327.413 2.567 0 50 EFAA CC1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263616807 KQVOGKACFKHUEY-MRXNPFEDSA-N 344.390 2.561 0 50 EFAA Cc1ccc(OC2CN(C(=O)[C@H](C(=O)O)C3CCCCC3)C2)cc1 299789160 XNMKNLZGUKWXDY-QGZVFWFLSA-N 331.412 2.866 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2cc(Cl)cn2C)c1 824313269 FOEJYJUPLYQPPC-UHFFFAOYSA-N 335.791 2.824 0 50 EFAA COc1cccc(SCC(=O)N[C@H](C)Cn2nc(C)cc2C)c1 824787663 BRIFPTODLPENTP-CYBMUJFWSA-N 333.457 2.806 0 50 EFAA O=C(/C=C/c1nc2ccccc2s1)N(CCO)Cc1nccs1 828754142 DARRFGYKZILJIP-AATRIKPKSA-N 345.449 2.787 0 50 EFAA Oc1cc([C@H]2CCCN(CCCOc3ccc(F)cc3)C2)ncn1 670470626 NRCQVLIAWZMFQI-AWEZNQCLSA-N 331.391 2.970 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)CCn2c(C)cccc2=O)c(C)s1 952965461 QPXSRHNASQJYBP-LBPRGKRZSA-N 333.457 2.840 0 50 EFAA O=S(=O)(CC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 269767833 NTCAWPOYZLOWJF-UONOGXRCSA-N 349.374 2.553 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3[nH]ncc23)C1 301767278 BWEUKOBPYCNLTP-YPMHNXCESA-N 349.316 2.684 0 50 EFAA Cc1c[nH]cc1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 408520736 VDZPWOALUOGFPP-DZGCQCFKSA-N 333.432 2.795 0 50 EFAA COc1ccnc(CC(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c1 408515627 JYTGGNLFOIDYJF-KSSFIOAISA-N 326.396 2.621 0 50 EFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1C[C@H](O)Cc2ccccc21 278828420 IDMFSBDJDIRZDL-XJKSGUPXSA-N 331.437 2.575 0 50 EFAA CN(Cc1cccnc1)Cc1nnc(C(=O)Nc2ccccc2)s1 170593416 QROWRUOOSXKMDF-UHFFFAOYSA-N 339.424 2.817 0 50 EFAA CN(CC1CC1)C(=O)CN1CCN(C2CC2)c2cc(Cl)ccc21 170600759 AGHACFJKWCSCIA-UHFFFAOYSA-N 333.863 2.997 0 50 EFAA CCc1cc(O)nc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1 170662424 IEVJROMFOYKRTC-SPSFWMDKSA-N 333.457 2.675 0 50 EFAA O=C(CCOCC(F)(F)C(F)(F)F)N1CCO[C@@H]2CCCC[C@H]21 170611079 XXZLFQPZUQVAGC-GHMZBOCLSA-N 345.308 2.761 0 50 EFAA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 187315700 JJYISFKXZIGGRL-NSHDSACASA-N 332.297 2.585 0 50 EFAA C[C@@H](Cc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 188272883 VHCKZHFTXJUJDU-FZMZJTMJSA-N 335.249 2.576 0 50 EFAA CNc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 638565581 QNOLJLFPKREAGC-ZIAGYGMSSA-N 340.427 2.989 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3cccc(OCC(C)C)c3)C[C@H]2O)n[nH]1 1529102148 YLAKBBPKJKNNPN-YLJYHZDGSA-N 343.471 2.788 0 50 EFAA O=C([C@@H]1CCCN1c1ncnc2sccc12)N1C[C@H]2CCC[C@@H]2C1 110678348 KBZFTDGRDRYHMY-NFAWXSAZSA-N 342.468 2.919 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 12138435 BQWBCHAGXPEUGS-UHFFFAOYSA-N 326.396 2.634 0 50 EFAA COc1ccc(CC(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)cc1 12589625 HREVLHABILUPSV-QGZVFWFLSA-N 344.455 2.535 0 50 EFAA C[C@H]1CC[C@@H](C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)O1 1857529981 PDIDDRHGDOTOJG-KGFZYKRKSA-N 342.168 2.971 0 50 EFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCOCC1 1857698682 DBNSTQDLMLSMBP-UHFFFAOYSA-N 349.818 2.556 0 50 EFAA Fc1cnc(N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)nc1 1857714927 SOUOQOUHIDXEHE-OWCLPIDISA-N 348.809 2.895 0 50 EFAA CCc1ccccc1CC(=O)N1CCC(OC[C@@H]2CCOC2)CC1 225497838 CJMSJDVOQURWES-MRXNPFEDSA-N 331.456 2.836 0 50 EFAA FC(F)(F)c1cn2c(n1)CC[C@H](CNc1ccnc(C3CC3)n1)C2 328627724 MZRQHLGWADCCFE-SNVBAGLBSA-N 337.349 3.244 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)o1 328628450 HGVBAWCTYLASMC-JSGCOSHPSA-N 337.420 2.695 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)n1 331450582 DVBBBARZSIQLTC-ZTFGCOKTSA-N 345.418 2.925 0 50 EFAA CC(C)[C@@](C)(O)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 332231151 DNPFBTWGGJKCSF-AZUAARDMSA-N 332.488 2.812 0 50 EFAA O=C(N[C@H]1CS(=O)(=O)c2ccccc21)C1(C(F)(F)F)CCCC1 333105058 CXLZBWAXIINZDO-NSHDSACASA-N 347.358 2.754 0 50 EFAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1 237356201 AFDLRHGJOLCIDA-RISCZKNCSA-N 328.343 2.937 0 50 EFAA COc1cc(Cl)ccc1CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 337270800 ZYUGFNHCCBWTIX-ARFHVFGLSA-N 325.836 2.710 0 50 EFAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 246875728 JTGTYQQXRVWYJQ-YNEHKIRRSA-N 329.400 2.604 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1 133246738 RVSMIIQAMYHECM-CQSZACIVSA-N 343.475 2.960 0 50 EFAA CC[C@H]1CN(C(=O)c2c(O)cnc3ccccc23)CCN1CC(F)F 133621671 ZLZPYOCYRJCOCH-LBPRGKRZSA-N 349.381 2.742 0 50 EFAA O=C1CC[C@@H]2CN(c3cnccn3)CC[C@@H]2N1CCc1ccccc1 247851313 HICOVLMLDWJKQK-MSOLQXFVSA-N 336.439 2.537 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](C(=O)O)C1 136108611 HTWOGHWWYCZHMX-CABCVRRESA-N 331.412 2.828 0 50 EFAA O=C1N[C@]2(c3nc(Cc4cccc(Cl)c4F)no3)C[C@H]3C[C@H]1[C@H]2C3 351400149 BEQZSHUZMSTRPM-RAVRGLNISA-N 347.777 2.824 0 50 EFAA O=S1(=O)CC[C@H]2CN(Cc3c(Cl)ccc4cccnc34)C[C@H]21 367575776 NRACDBLQQAKFJB-SWLSCSKDSA-N 336.844 2.507 0 50 EFAA COCc1ccc(C(=O)N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)o1 371351715 GYTNLXNTYOMYFA-GOSISDBHSA-N 349.814 2.899 0 50 EFAA CNCCC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 262188851 LTGCGAPIGGZYRI-CQSZACIVSA-N 345.468 2.922 0 50 EFAA CCN(C(=O)c1nc(OC)cc(OC)n1)c1nc2ccccc2s1 901562635 HKDUMGYZRDOAMR-UHFFFAOYSA-N 344.396 2.770 0 50 EFAA O=C1CC[C@H](c2noc(-c3cccc4nc(C(F)F)[nH]c34)n2)CN1 901964408 IWNUYDSXBVLDOR-ZETCQYMHSA-N 333.298 2.544 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2CCC[C@]2(C(N)=O)C1 933761141 FHAOUXQEDBIAOQ-YWZLYKJASA-N 343.471 2.644 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC(O)(C(F)F)CC1 935499602 YFAFGIDSQJTCAP-UHFFFAOYSA-N 332.350 2.981 0 50 EFAA Cc1cc(F)ccc1CN(C)C(=O)c1ccc2c(c1)C(=O)NCCO2 935634045 OIUXBDNBTGIINH-UHFFFAOYSA-N 342.370 2.529 0 50 EFAA Cc1cc(C)nc(N2CCN(c3ccc(C(F)(F)F)nc3)CC2)n1 952879105 NDLRKLXONUEZCH-UHFFFAOYSA-N 337.349 2.834 0 50 EFAA O=C1CCC2(CC1)C[C@@H]2C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 1875309216 YMEAQPVUJPNAAT-MBOZVWFJSA-N 345.414 2.557 0 50 EFAA Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cc(Cl)nc1Cl 1875369226 BIGFAOQYBIAPFW-UHFFFAOYSA-N 344.242 2.637 0 50 EFAA COc1cc(-c2noc([C@H]3OCC[C@H]3Cn3ccnc3)n2)ccc1F 886066146 URMIAWUOKUHEBG-WFASDCNBSA-N 344.346 2.859 0 50 EFAA Cc1cc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)ns1 886564740 CRKTYVAANBRMHJ-LBPRGKRZSA-N 330.331 2.934 0 50 EFAA CC(C)Cc1ccc([C@H](C)NC(=O)CN(C#N)c2nncs2)cc1 1775993909 XFXRJIBTAUKNME-ZDUSSCGKSA-N 343.456 2.901 0 50 EFAA CC[C@@H](O)[C@@H](C)NC(=O)c1c(F)cc(Br)c(F)c1F 1775998627 FKVAFVAFAAMANU-SVGQVSJJSA-N 340.139 2.756 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 1775959083 FHPHOYPYPZDONV-YIDVYQOGSA-N 347.459 2.873 0 50 EFAA CN1CCN(C(=O)c2c[nH]c3nccc-3c2)C[C@H]1c1cccs1 2325810543 QPMQWGZFOGOLRM-AWEZNQCLSA-N 326.425 2.705 0 50 EFAA Cc1csc2c(C(=O)NCc3ccc([C@@H](C)N)cc3)ncnc12 2325856240 HCWJRYGODVHVJU-LLVKDONJSA-N 326.425 2.949 0 50 EFAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 134251 DLPFAELBHIJKPK-UHFFFAOYSA-N 325.368 2.803 0 50 EFAA CC(C)C[C@@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 177396 FCHBLJGYIUWOEU-INIZCTEOSA-N 328.412 2.710 0 50 EFAA Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1 619674 GRWLOOHWAGONFV-UHFFFAOYSA-N 341.367 2.877 0 50 EFAA CC(C)C(=O)O[C@@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1 1554010 TZDUHAJSIBHXDL-GFCCVEGCSA-N 329.393 2.683 0 50 EFAA fda CCC[C@@]1(C(=O)O)CN(Cc2cccc(OC(F)F)c2)CC[C@@H]1O 2356157896 WNTUQAGGACWFHQ-WMLDXEAASA-N 343.370 2.726 0 50 EFAA CC(C)(C)c1cc(NS(=O)(=O)c2cccc3nsnc23)no1 6706479 SKUXRMZNFAQXCI-UHFFFAOYSA-N 338.414 2.778 0 50 EFAA C[C@](O)(CNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccc(F)cc1 245675670 TUTPWCKPRUJHBQ-XFKSJGNHSA-N 340.398 2.671 0 50 EFAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCc1ncc[nH]1 412103308 ZEFUTFQCWFMLFK-LLVKDONJSA-N 341.333 2.846 0 50 EFAA O=C(C1CCN(Cc2ccccc2)CC1)N1CCO[C@@H](C2CCC2)C1 412451166 WNUOFMOBNBIDIF-HXUWFJFHSA-N 342.483 2.926 0 50 EFAA O=C(NCCCc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CC3 100621247 XMLCIFCWWZKFIX-UHFFFAOYSA-N 348.402 2.626 0 50 EFAA biogenic COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 110745743 XNMUUYXWCVFULU-UHFFFAOYSA-N 340.383 2.948 0 50 EFAA CC1(C)CN(C(=O)NCc2coc3ccccc23)C[C@@]2(CCOC2)O1 280094098 ZHFOYEBXHJXADG-LJQANCHMSA-N 344.411 2.912 0 50 EFAA CCNc1nc(C)c(C(=O)N(Cc2ccco2)[C@H](CC)CO)s1 55091050 YMFADULHRRUBMW-GFCCVEGCSA-N 337.445 2.890 0 50 EFAA CC(C)(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1cccs1 114604597 LCRGLGBGRQAGII-ZBFHGGJFSA-N 330.453 2.983 0 50 EFAA O=C(NCc1ccnc(-n2cccn2)c1)N1CCC[C@@H]1c1ccco1 116418164 INJPUCGDCPWRHM-OAHLLOKOSA-N 337.383 2.907 0 50 EFAA CCN1CCN(c2c(Cl)cccc2NC(=O)[C@H]2CCCO2)CC1 55119885 MFATVLVZXUGOMA-OAHLLOKOSA-N 337.851 2.599 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)NCc1nccn1Cc1ccccc1 65387881 HRYRQCNTGKBDJD-UHFFFAOYSA-N 347.422 2.837 0 50 EFAA C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379590 NHYRMCGOVKAZMJ-YARXLOAZSA-N 345.439 2.665 0 50 EFAA Cc1cnccc1-n1nc(C2CC2)nc1CCn1nnc2ccccc21 65408492 PIUJSRMXNHZCFH-UHFFFAOYSA-N 345.410 2.836 0 50 EFAA Cc1ccc(CN2CC[C@H](CNS(=O)(=O)C(C)C)C2)c(C)c1F 67757241 PDIXTNFWHWNIMX-OAHLLOKOSA-N 342.480 2.592 0 50 EFAA Cc1ccccc1CN1CCC(CNC(=O)Cc2cccnc2)CC1 67723028 YJRULRXRRDPOCQ-UHFFFAOYSA-N 337.467 2.961 0 50 EFAA COc1cccc(NC(=O)[C@@H](C)Oc2nn(C)c3ccccc23)c1 409417877 OMLOGGUKBHDHBA-GFCCVEGCSA-N 325.368 2.988 0 50 EFAA O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)cn1 120113617 VSPLYLXXNYJNKT-KRWDZBQOSA-N 327.771 2.629 0 50 EFAA CN(CC(=O)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)[C@H]1CCSC1 252510617 ASIYPAFSCHBESC-RMRDIRSESA-N 330.497 2.516 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@]2(CNC(=O)O2)C1 216323310 NCWMYPYQDDOFNX-MRXNPFEDSA-N 333.413 2.786 0 50 EFAA O=C(CSCCN1CCCC1)N1CCCC[C@@H]1c1ccccn1 219964478 DTCQIHVDCKNGKV-QGZVFWFLSA-N 333.501 2.964 0 50 EFAA Cc1nc(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)cn1C 72154867 ZWZBPJFXUYYUSC-KRWDZBQOSA-N 347.484 2.905 0 50 EFAA COC[C@H](Cc1ccccc1)N[C@H](c1nc(C)no1)C1CCOCC1 328637963 WECPWFZXONWJDS-ROUUACIJSA-N 345.443 2.693 0 50 EFAA CC1=CCC[C@H](C)[C@@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 328623399 JBLOAQCQGRXADX-UJAMICLKSA-N 344.503 2.830 0 50 EFAA CN1C[C@]2(CCCN(Cc3cn[nH]c3-c3cccc(F)c3)C2)OC1=O 215788061 KWHJFSAHARWTFO-SFHVURJKSA-N 344.390 2.632 0 50 EFAA Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3)c2)no1 253432629 LXYVIWUQAZZWAU-MAZHCROVSA-N 326.400 2.904 0 50 EFAA CC(C)[C@@H]1CN(CCn2cncn2)CCCN1Cc1ccc(F)cc1 71752440 IGQDXFIQTQBFHJ-IBGZPJMESA-N 345.466 2.650 0 50 EFAA Cc1scc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1C 332082937 BMWRFTPHVPLLHB-JTQLQIEISA-N 349.481 2.808 0 50 EFAA CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccncc2)n[nH]1 366595657 HLMCMPJGLWBFNJ-JSGCOSHPSA-N 329.404 2.791 0 50 EFAA CN(C)[C@@H](C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1F 72434585 QOUJGOIAAUBGBI-MRXNPFEDSA-N 330.407 2.558 0 50 EFAA CCSCCNc1nc(-c2ccccn2)nc2c1c(C)nn2C 72469909 HIHRKPKALHOXCN-UHFFFAOYSA-N 328.445 2.899 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1ccc(-n2ccnn2)cc1 376040664 BDZBVAQTOMMWTG-ATZDWAIDSA-N 341.459 2.569 0 50 EFAA O=S(=O)(CC1CCCC1)N1CCNC[C@@H]1c1ccccc1Cl 261737447 UCWZWRLDZATOSV-MRXNPFEDSA-N 342.892 2.806 0 50 EFAA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1noc2c1CCCCC2 156658877 MYHQWOJUQRYBBO-ZFWWWQNUSA-N 346.427 2.544 0 50 EFAA CC(C)(C)c1cnc(NC(=O)N2CCC[C@@H](n3cncn3)C2)s1 333474593 RPJFSTUCMNWIMY-LLVKDONJSA-N 334.449 2.901 0 50 EFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2Br)C1 237195145 QOEQYMAUFWYFIT-XEHSLEBBSA-N 337.261 2.920 0 50 EFAA CNCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 237298229 BXCLPIHRIRGDNP-UHFFFAOYSA-N 336.189 2.794 0 50 EFAA C[C@@H]1C[C@H]1c1nnc2ccc(N[C@@H]3CCOC4(CCCCC4)C3)nn12 333624928 ZDGJSIIZGYCNRB-RBSFLKMASA-N 341.459 3.542 0 50 EFAA Cc1cc(N2CCC(O)(c3cccnc3)CC2)n2nc(C)c(C)c2n1 72429543 YYKUVBLXMFCHFB-UHFFFAOYSA-N 337.427 2.538 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)Cc1ccc2c(c1)OCO2 219925098 JHQCQDYYKDTZNV-GFCCVEGCSA-N 330.409 2.917 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@@H]3OCC[C@@H]31)CC2 240555674 GXDPCTKZNYQMCC-AVEIZBFRSA-N 335.492 2.601 0 50 EFAA Cc1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)sc1-c1ccccc1 72120779 KZYIIJJNLZZLKM-LJQANCHMSA-N 344.480 2.862 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCCC[C@H]1CCc1ccc(O)cc1 77388407 QPLZSCRLXBYQNV-HNNXBMFYSA-N 326.396 2.708 0 50 EFAA CCCn1ncnc1[C@@H](C)NC(=O)c1cc(-c2cccs2)nn1C 222760278 KUVGZTKPBLMIBP-LLVKDONJSA-N 344.444 2.641 0 50 EFAA C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)[C@@H](C)[C@H]1N 457362392 JCEMADLTKZKCAJ-MKBNYLNASA-N 332.835 2.724 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ccc2oc(CO)cc2c1 496587425 AYBFXCPYEJDLKL-CQSZACIVSA-N 346.383 2.873 0 50 EFAA CCOc1cccc(CN(CC)C(=O)NCCN2CCCCC2=O)c1 426526572 ZXSWNHLNRFVEPV-UHFFFAOYSA-N 347.459 2.629 0 50 EFAA OCCn1ccc([C@@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)n1 426399329 BVUAOXAXGUJJFG-GFCCVEGCSA-N 340.349 2.673 0 50 EFAA CC(=O)c1cc(CSc2nnc(C3CCNCC3)n2C)cs1 426548413 COLFMPZIHPWIID-UHFFFAOYSA-N 336.486 2.839 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 91694409 GKFMGBDTSZBXLB-DLBZAZTESA-N 327.355 2.695 0 50 EFAA COc1cc(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)cc(OC)c1OC 179294716 DOOACWXVNZOSAJ-CHWSQXEVSA-N 336.432 2.900 0 50 EFAA CN1CC(=O)N(c2cccc(NC(=O)N3CCCCCCC3)c2)C1=O 97813735 OZHOZUPREHPIBA-UHFFFAOYSA-N 344.415 2.883 0 50 EFAA CN1CCCCC[C@H]1C(=O)N(C/C=C/c1ccccc1)CCCO 95374916 AHZSZNIZWSEOEE-BEBFYNPSSA-N 330.472 2.785 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)c1sc(C)nc1C)C2 95359765 CULAACLXSJHFAI-LBPRGKRZSA-N 332.425 2.750 0 50 EFAA Cc1cccc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1O 91793987 BRRZPQABQUKBPU-UHFFFAOYSA-N 342.439 2.708 0 50 EFAA O=C(O)[C@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1 95363874 VQNNGMOBMJILQD-IBGZPJMESA-N 341.407 2.848 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 95499496 YVLBWFFXLUDONI-OAHLLOKOSA-N 331.416 2.759 0 50 EFAA Cc1ccsc1[C@H](CNC(=O)c1cnc(NC(C)C)nc1)N(C)C 97468667 MIBKCEALRVSRRL-AWEZNQCLSA-N 347.488 2.700 0 50 EFAA Cc1nc(C)c(CC(=O)NCc2csc(N3CCCC3)n2)s1 97729736 RGKFOHNTNHUHPN-UHFFFAOYSA-N 336.486 2.676 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)c(C(F)(F)F)o1 295348063 BPZRRXKSZZWSOX-SNVBAGLBSA-N 348.321 2.910 0 50 EFAA Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 182972511 GRPCUMHQTOLTLF-SFHVURJKSA-N 337.423 2.816 0 50 EFAA CCc1nnc(NC(=O)CCN2CCC[C@H]2c2ccccn2)s1 252490549 KWUPOKWODHICQQ-ZDUSSCGKSA-N 331.445 2.661 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 299745333 YBQAZGWPDOGCAU-KBEGMRNHSA-N 342.439 2.682 0 50 EFAA CC(C)n1ccc2c(OCC(=O)NCCn3cccn3)cccc21 253414110 WMVOJXVJVSDSAT-UHFFFAOYSA-N 326.400 2.614 0 50 EFAA CCCc1nnsc1C(=O)N[C@@H](C)c1nc2ccccc2n1C 534667876 CPBITNMQKUWYJN-JTQLQIEISA-N 329.429 2.868 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCCc2c(C)noc2C)n1 299801640 ZUBYMHFGBVIBHG-AWEZNQCLSA-N 348.472 2.928 0 50 EFAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCCN2C)cc1 824668754 OKCHYOHUEWXGPR-IBGZPJMESA-N 339.439 2.713 0 50 EFAA O=C(CCN1CCCCCC1=O)NCc1cc(F)c(F)cc1F 828026352 PLKAATHAXFMRCE-UHFFFAOYSA-N 328.334 2.513 0 50 EFAA COc1cccc(N2CCN(C(=O)Cc3ccncc3)CC2(C)C)c1 584895847 ZROFPUZLBXZJKB-UHFFFAOYSA-N 339.439 2.760 0 50 EFAA O=C(c1cccc(-n2cccn2)n1)N1CCO[C@@H](c2ccccc2)CC1 1337868298 YSHIDAKMDCGYES-GOSISDBHSA-N 348.406 2.871 0 50 EFAA Cc1ccc([C@@H]2CN(c3cc(N4CCSCC4)ncn3)CCO2)o1 302866147 YMBGLCGYYXQDBM-HNNXBMFYSA-N 346.456 2.509 0 50 EFAA CSC[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275500601 ANNHSCRHTJVRAO-DOTOQJQBSA-N 335.517 2.894 0 50 EFAA CO[C@H](C)c1noc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 275894084 HYCPZRGTIZJULO-DOMZBBRYSA-N 345.447 2.726 0 50 EFAA C[C@H](CNC(=O)c1cccnc1-n1ccnc1)Oc1ccc(F)cc1 170595088 OCJVSVMABJRGFL-CYBMUJFWSA-N 340.358 2.604 0 50 EFAA C[C@@H](C(=O)N1CCC(Oc2ccccc2F)CC1)c1cncnc1 633934432 JMMUZJWZZGPRBL-CYBMUJFWSA-N 329.375 2.789 0 50 EFAA Cc1cnn(-c2ccc(NC(=O)N(C)CC3(CO)CC3)cc2F)c1 188252555 BJQGNYPEYCHOHI-UHFFFAOYSA-N 332.379 2.556 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)Nc2cccc3[nH]ccc23)cn1 189420440 HVHMUPKYWDPVTQ-JKSUJKDBSA-N 325.372 2.553 0 50 EFAA C[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)c1cccnc1 190605913 JIOZKHVGFBTQJE-WMZOPIPTSA-N 338.455 2.561 0 50 EFAA Cc1cccc(NC[C@H]2CCN(C[C@@H]3CC4(CCC4)C(=O)O3)C2)n1 192034503 FADOAUQSLGHKMP-CVEARBPZSA-N 329.444 2.610 0 50 EFAA CCC(=O)N[C@@H](C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 683637036 NIZFNBFOCQFKOQ-NSHDSACASA-N 333.819 2.552 0 50 EFAA O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1O 1663056496 CCTJIGZHHSIFGC-KRWDZBQOSA-N 343.404 2.557 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)Cc1n[nH]c2ccccc12 1506403969 QEPRBIFKYZTWHQ-UHFFFAOYSA-N 347.378 2.814 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1F)NCCC[C@@H]1CCOC1 1506424524 CUDDXJGCMIEWJF-LLVKDONJSA-N 335.828 2.715 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)cn2)c1 1506410660 WGNCOYUJCHQIFE-CYBMUJFWSA-N 332.835 2.940 0 50 EFAA COc1ccccc1-c1ccc(NCCN=c2cc[nH]cc2C)nn1 1529155609 WBMVYYAJNNKABP-UHFFFAOYSA-N 335.411 2.802 0 50 EFAA CCCn1nc(C)cc1NC(=O)[C@@H]1COc2c(cccc2OC)C1 1529106147 LWBRMLWCWZZEKZ-AWEZNQCLSA-N 329.400 2.800 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCCCc2ccccc2Cl)CC[C@@H]1O 1704313895 NFZVQMIGQNTEMV-VNQPRFMTSA-N 325.836 2.565 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 122319895 RQRGPWLKIVHZMB-SNVBAGLBSA-N 329.213 2.660 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1csc(-c2ccccc2)n1 1772706326 BDOYEEBHGAAHKI-JSGCOSHPSA-N 341.436 2.645 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(c2nccs2)CC1 1772810590 NCKDYROCBUBHBC-UHFFFAOYSA-N 343.452 2.821 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@@](CO)(CCc2ccccc2)C1 12469672 MDCQDSHYOIEJMM-GOSISDBHSA-N 345.468 2.694 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 14399174 WTUDVPAPZZLKQJ-UHFFFAOYSA-N 340.379 2.562 0 50 EFAA CC(C)c1cccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857714738 JVBKPCDMZVWDTP-QEUVDIPISA-N 342.483 2.991 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCC(F)(F)C2)c(Cl)c1 315486631 MNLVTSSKLSIJNY-MRVPVSSYSA-N 339.747 2.504 0 50 EFAA OC[C@H]1[C@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@]23CC[C@H]1O3 1875243223 XDDRUHXBZQGTIF-DOIPELPJSA-N 343.467 2.980 0 50 EFAA CC(C)[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Cl 115833952 PLALNDVQCOIBFE-MLGOLLRUSA-N 347.850 2.943 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2cncc(Br)c2)n[nH]1 120276098 UPSJENRECNGCJQ-QMMMGPOBSA-N 338.209 2.628 0 50 EFAA COC[C@@H](Cc1ccccc1)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 328626844 FMOSAKBJGVHORR-HBMCJLEFSA-N 339.483 2.922 0 50 EFAA Cn1c(NC(=O)C2(CF)CCOCC2)nc2c(Cl)cccc21 332190673 QLNYLYJIJHRHHC-UHFFFAOYSA-N 325.771 2.932 0 50 EFAA CC(=O)N[C@H]1CCCN(Cc2c(C(=O)O)sc3ccccc23)C1 652389943 PSQJZUNMEAMTRN-LBPRGKRZSA-N 332.425 2.700 0 50 EFAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCOc1ccccc1Cl 345756312 FZJQUHVXEMNHSO-CWRNSKLLSA-N 325.836 2.581 0 50 EFAA Cc1n[nH]cc1CNC(=O)N1CCC(c2ccccc2C(=O)O)CC1 666517736 IMVULNUFHFTOOU-UHFFFAOYSA-N 342.399 2.506 0 50 EFAA C[C@]1(CNC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)CCCS1 252498958 RRVAPILOMJWQJT-HLLBOEOZSA-N 338.448 2.929 0 50 EFAA COc1ncccc1C(=O)N1C[C@H](CCC(=O)O)Cc2ccccc21 902821912 MKHJCOIXEFELBD-CYBMUJFWSA-N 340.379 2.774 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)c2ccccc2N(C)C1=O 933494887 QLFYYAVVNABUQZ-SNVBAGLBSA-N 348.353 2.617 0 50 EFAA COc1ccc([C@@H]2CCCN2Cc2nc(CC(F)(F)F)no2)nc1 934350228 UYJKIPFMMPNGPF-LBPRGKRZSA-N 342.321 2.915 0 50 EFAA COc1cccn2ncc(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)c12 934901698 GJYYQZWAADQNLQ-CYBMUJFWSA-N 339.395 2.752 0 50 EFAA O=C(c1cc(Br)cnc1C1CC1)N1CCn2nccc21 935883039 QODQNIROQWJUCM-UHFFFAOYSA-N 333.189 2.578 0 50 EFAA C[C@H](O)C(=O)N1C[C@H](c2ccccc2)O[C@H](c2ccc(F)cc2)C1 1875265539 QQNYDIKBFNYTJL-VHSSKADRSA-N 329.371 2.848 0 50 EFAA O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1cnc2ccccn12 1875288549 LLJNUPNQEXVOEW-OAHLLOKOSA-N 333.438 2.825 0 50 EFAA C[C@H]1Cc2cc(F)ccc2CN1C(=O)Nc1cnn2ncccc12 1875345192 VMMAZVPYTSVODF-NSHDSACASA-N 325.347 2.847 0 50 EFAA O=C(Nc1cccc(Cl)c1OCC(F)F)[C@H]1C=C[C@H]1C(=O)O 1875319273 VSPNMQSBBZQOGQ-JGVFFNPUSA-N 331.702 2.809 0 50 EFAA COC(=O)[C@]1(CNC(=O)N[C@@H](C)c2ccccc2C(C)C)CCOC1 1875311090 MLXWNJRQWSTVHM-LIRRHRJNSA-N 348.443 2.750 0 50 EFAA Cc1cc(C)c2cc(CN[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)[nH]c2c1 1875400283 VYPCXCQSMTXQPG-CDHQVMDDSA-N 338.455 2.911 0 50 EFAA O=C1CCN(C(=O)c2c[nH]cc2Cc2ccccc2)CCCCCN1 889417855 PTEMPEMEPLXEAS-UHFFFAOYSA-N 339.439 2.738 0 50 EFAA C[C@H]1C[C@@H](NCc2sc(Br)c3c2OCCO3)CCO1 1775997798 MPGFQGUHMLSUOL-IUCAKERBSA-N 348.262 2.939 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(NCCn1cccn1)C2 925325612 MOUQJMOHOZXMGN-UHFFFAOYSA-N 334.464 2.652 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1 1428314 KOSPAWFIHDLIDP-UHFFFAOYSA-N 348.468 2.748 0 50 EFAA O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 2503728 GDLCPBKSWGLXRT-GUYCJALGSA-N 343.404 2.629 0 50 EFAA CCn1ccc(C(=O)Nc2c(-c3ccccc3)nc(C)n2C)cc1=O 2100477635 DMPKPYMEQSBWJH-UHFFFAOYSA-N 336.395 2.829 0 50 EFAA C[C@@H](c1nnc2n1CC[C@@H](c1ccccc1)CC2)N1CCOCC1 2100556124 CWEYFXYFVZNBGS-RDJZCZTQSA-N 326.444 2.791 0 50 EFAA CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3scnc3[nH]2)C1 2325811263 JKORPEIUUBSSQZ-AWEZNQCLSA-N 340.452 2.971 0 50 EFAA O=C(NCc1ccc(OC(F)F)c(F)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1427617794 KVCOYKGGLWHNNJ-UFGOTCBOSA-N 330.306 2.546 0 50 EFAA C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C1CCCC1 863983122 BJCVICQZEHEEKL-FVQBIDKESA-N 326.481 2.773 0 50 EFAA CCOC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 314460 DJXCSYFLZRSLFV-UHFFFAOYSA-N 342.848 2.733 0 50 EFAA CN1CCN(NC(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 469392 RHJSEMSIQFSGJZ-UHFFFAOYSA-N 342.468 2.928 0 50 EFAA COc1cc2c(cc1-c1ccc(C3(O)CCNCC3)cc1)OCO2 2356149426 ZRLDIJGZGJYVOF-UHFFFAOYSA-N 327.380 2.662 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)NCc2ccccc2)C1=O 2356156982 ZBUPERRCQDLWQI-IBGZPJMESA-N 329.444 2.763 0 50 EFAA CCOP(=O)(OCC)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 2811341 DNXDNNMQTPJSTA-ZDUSSCGKSA-N 335.362 2.843 0 50 EFAA CN(C)CCCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 2890596 FFCAQCZHMDCYAX-UHFFFAOYSA-N 343.210 2.781 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 3507316 AZWYYXAXPQMEPG-UHFFFAOYSA-N 343.383 2.803 0 50 EFAA CC(=O)O[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 4674799 OSJFIHIXNSNZRI-IBGZPJMESA-N 338.407 2.640 0 50 EFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C)CC(=O)N1 4986809 CJYBNXXVVSDYIN-ZBFHGGJFSA-N 329.396 2.595 0 50 EFAA CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1 6742122 WVSSQVRKNPCNSF-UHFFFAOYSA-N 346.441 2.547 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)CC1 7797198 ZTHDFJJTOAQYLT-UHFFFAOYSA-N 336.457 2.846 0 50 EFAA CCN(Cc1noc(C2CC2)n1)[C@H](C(=O)O)c1cc(C)ccc1OC 55404583 IGBUHUGMUCCRRU-INIZCTEOSA-N 345.399 2.912 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cc2cccnc2nc1C 55042073 AUXJYESPJJICNI-HNNXBMFYSA-N 339.395 2.945 0 50 EFAA CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)CO)cc1 55327357 AVJBDXZVUQDMQT-OAHLLOKOSA-N 340.423 2.916 0 50 EFAA CCCC(=O)Nc1cccc(C(=O)NCCNc2cccnc2)c1 55225119 ZGTVOLCZZWOBLA-UHFFFAOYSA-N 326.400 2.662 0 50 EFAA COc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1F 348237936 DMEMOXQYBOGEFK-UKRRQHHQSA-N 333.334 2.922 0 50 EFAA O=C1[C@@H]2[C@@H](C(=O)N1CNc1ccc(Br)cc1)[C@H]1C=C[C@H]2C1 100101915 XMHPLDXMHVGPMD-NUZBWSBOSA-N 347.212 2.626 0 50 EFAA Cc1c(C(=O)N(C)CCO)c(-c2ccccc2)nn1-c1ccccc1 20234725 GJFDAFPVMKAQIO-UHFFFAOYSA-N 335.407 2.912 0 50 EFAA CCNc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(C)n1 65363044 CTUXDQAISLBHJK-UHFFFAOYSA-N 340.431 2.571 0 50 EFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCOC2(CCOCC2)C1 135642488 HVJDQMQTUMTMRT-AWEZNQCLSA-N 329.400 2.679 0 50 EFAA Cc1ccn2cc(CNC(=O)c3cccc(-n4cccn4)c3)nc2c1 65417157 VMSWXSQXMXAOEA-UHFFFAOYSA-N 331.379 2.758 0 50 EFAA Cn1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)c(-c2ccccc2Cl)n1 136134220 MKAMISZJOJSDTL-LLVKDONJSA-N 347.802 2.677 0 50 EFAA O=C1C[C@@H](NC(=O)c2ccc(CN3CCCC3)o2)c2ccccc2N1 20997258 NAGXAVMAZMGJCQ-MRXNPFEDSA-N 339.395 2.689 0 50 EFAA CNc1ccc(C)cc1C(=O)NCC1CCN(C2CCOCC2)CC1 67757055 MVLLZPHPLBRVLY-UHFFFAOYSA-N 345.487 2.658 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](N(C)C)C1 229625079 TZGQGXJCRHVPPE-QWHCGFSZSA-N 341.402 2.641 0 50 EFAA O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CC[C@H](N2CCCC2)C1 120182942 ZWNPRUSALHOXQR-JKSUJKDBSA-N 345.443 2.556 0 50 EFAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCc2ccccc2C1 33272061 CPHHDUWDHAULIL-UHFFFAOYSA-N 330.387 2.756 0 50 EFAA CCOc1cccc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)c1 65526794 ANWBOZPYFJGGRN-CYBMUJFWSA-N 331.441 2.760 0 50 EFAA CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)c1ccc(-n2cncn2)cc1 230093019 PYKYRHVAAIEMLL-BZUAXINKSA-N 327.384 2.628 0 50 EFAA COc1cc(F)cc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)c1 252490017 KHLZPUUCSMGQDT-UHFFFAOYSA-N 347.371 2.925 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC1CCN(c2nccs2)CC1 253369413 CGKPBQVCRSXFMO-HLFMIMNKSA-N 341.546 2.781 0 50 EFAA Cc1cccc(Cn2cnc(NC(=O)c3c(Cl)c(C)nn3C)n2)c1 2785953 JYYZLAHFPMDTQV-UHFFFAOYSA-N 344.806 2.582 0 50 EFAA Cc1nccc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)n1 216176848 JJKDOFDRSDWVTO-UHFFFAOYSA-N 341.411 2.628 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccn(-c2ccccc2)n1 253393900 GLTPIJNXLOKIFF-XKQJLSEDSA-N 339.395 2.730 0 50 EFAA C[C@H]1CCC[C@H](CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)C1 328627772 NCGYLIHGKPHGDW-GJZGRUSLSA-N 339.505 2.807 0 50 EFAA CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cn1 253428817 RHZQOOHTCVYCBL-OAHLLOKOSA-N 329.404 2.973 0 50 EFAA Cc1c(-c2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)n[nH]2)cnn1C 71755019 FKQBPZQDAVBXLK-QGZVFWFLSA-N 339.374 2.845 0 50 EFAA O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCOC2(CCCCC2)C1 120090535 KZWYYADSQWYHLP-ROUUACIJSA-N 346.471 2.771 0 50 EFAA CCCS(=O)(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 216525239 GMDWRTYESGCLAZ-UHFFFAOYSA-N 339.848 2.828 0 50 EFAA O=C(CCc1nc(-c2ccco2)no1)N1CCC([C@H]2CCOC2)CC1 363748780 OBHNGUOSRLOMNV-AWEZNQCLSA-N 345.399 2.537 0 50 EFAA O=C(NCc1c(F)cccc1OC(F)F)N1CCOC2(CCC2)C1 129571150 FPSFSKJENOZBKV-UHFFFAOYSA-N 344.333 2.892 0 50 EFAA Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCSCC2)n1 128518365 LKIVWKOLQUMTRE-UHFFFAOYSA-N 330.457 2.748 0 50 EFAA Cc1ccccc1[C@@H]1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 77303027 XEQLFBPNKZDRCB-MRXNPFEDSA-N 338.455 2.933 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cnn(C(C)(C)C)c2)c1 282496275 MWINWANSLJJYDC-NVXWUHKLSA-N 343.427 2.595 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@@](CO)(c3ccccc3)C2)cc1 374560904 ZPPUJGNKOAWGQW-OAQYLSRUSA-N 338.451 2.572 0 50 EFAA CC(C)(C)OC(=O)NC1CCN(c2nc(Cl)ncc2F)CC1 70461074 BVPUNKXPSXMAET-UHFFFAOYSA-N 330.791 2.763 0 50 EFAA CCCOCCN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72432036 FMMMHGDHQDFQTM-HXUWFJFHSA-N 345.487 2.713 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cccn2)cc1 238044510 AZAVORWEPZWFPR-GOSISDBHSA-N 347.374 2.524 0 50 EFAA Cc1nn(CCNC(=O)NC2CCCCC2)c(C)c1Br 13961258 SKQVEPIGNXLUBF-UHFFFAOYSA-N 343.269 2.894 0 50 EFAA CC[C@H](C(=O)N1C[C@H]2CC[C@H]1C2)n1nnc(-c2ccc(Cl)cc2)n1 225514854 KTBRQOMOYSFKDS-TUKIKUTGSA-N 345.834 2.956 0 50 EFAA CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCO[C@H]1c1nccn1C 284955161 JWMYWEYGYCIGAO-HUUCEWRRSA-N 333.819 2.810 0 50 EFAA Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 289089719 LGDQDPHRCJCDDS-OAHLLOKOSA-N 344.463 2.575 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 177329865 FTCJAKHXPIHBMY-WBVHZDCISA-N 341.411 2.736 0 50 EFAA O=C(CCc1ccccc1C(=O)O)N[C@@H]1CCO[C@@H]1c1ccccc1 263575047 OHZVHHOGSMCKCT-IEBWSBKVSA-N 339.391 2.964 0 50 EFAA COc1ccccc1CCC(=O)N(C)Cc1noc(C2CCC2)n1 223913661 DNPJVVNJEBMRLL-UHFFFAOYSA-N 329.400 2.937 0 50 EFAA Cc1cc(=O)n(C)cc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 177931963 XYNZTSKVEKIRBX-SJLPKXTDSA-N 341.411 2.736 0 50 EFAA Cc1cccc(OC2CN(C(=O)[C@H](N)Cc3c[nH]c4ccccc34)C2)c1 91943853 URUQANCKWOKGQI-LJQANCHMSA-N 349.434 2.636 0 50 EFAA Cc1cc(N2CCC3(CC2)OCCC[C@H]3O)nc(-c2ccccc2)n1 95357720 PBXDFMAGGDCQMM-QGZVFWFLSA-N 339.439 2.962 0 50 EFAA CCN(Cc1nc(C)no1)C(=O)CC[C@@H]1CCCN2CCCC[C@H]12 95357319 UEKSPGADWUKZFV-JKSUJKDBSA-N 334.464 2.771 0 50 EFAA CN(C)[C@@H](C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1F 95382691 GJOHMMNWDDYGNY-QGZVFWFLSA-N 334.435 2.848 0 50 EFAA CC(=O)NCC[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1F 91943948 VGEPLSIILRCVJK-MRXNPFEDSA-N 338.398 2.805 0 50 EFAA COc1cc(C(=O)N2CCC[C@@](CC=C(C)C)(C(=O)O)C2)ccn1 91594472 BVNHYVPAMNPNFI-SFHVURJKSA-N 332.400 2.754 0 50 EFAA Cn1cccc1C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 92065700 WBKNXTILEZRWGG-FQEVSTJZSA-N 343.471 2.813 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)NCc2ccc3c(c2)CCCC3)C1 97604139 UPEPENDSSUSXIM-IBGZPJMESA-N 330.472 2.681 0 50 EFAA CCc1ncc(C(=O)N(CC)CCc2nc3ccc(F)cc3[nH]2)cn1 95354019 AGYRCPZXOBUWGI-UHFFFAOYSA-N 341.390 2.759 0 50 EFAA COc1cccc(N2CCN(c3nc(C)nc4ncccc34)CC2)c1 95354350 PNQISDMIAHJUSK-UHFFFAOYSA-N 335.411 2.668 0 50 EFAA COc1ccc(Cl)cc1-c1cc(C(=O)N2CCOCC2)ccn1 97499511 CEAOIOASMIJKJB-UHFFFAOYSA-N 332.787 2.883 0 50 EFAA COc1cccc([C@H]2CN(C)C[C@@H]2NC(=O)CCC(F)(F)F)c1 91792693 JHADYVIPWSESRL-KGLIPLIRSA-N 330.350 2.552 0 50 EFAA CC(C)Nc1cc(N(C)Cc2cc(-c3cccnc3)no2)nc(N)n1 96148197 RVVQBDMOLKSJJV-UHFFFAOYSA-N 339.403 2.566 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@H]2CCCNC2)cc1 95384809 HSVIOXGBMNNBSG-SFHVURJKSA-N 340.471 2.808 0 50 EFAA CSCCc1nc(-c2cnc(C)cn2)n(-c2cc(C)ccn2)n1 97815589 DRYMJBPGCRZUPL-UHFFFAOYSA-N 326.429 2.642 0 50 EFAA COc1ccc2c(c1)[C@H](n1cc(-c3nccn3C)nn1)CC(C)(C)O2 91593525 WGMCFAGVWSLHIA-OAHLLOKOSA-N 339.399 2.838 0 50 EFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1cnc(N)nc1 91656626 MDVQUAPGQXUKRW-ZDUSSCGKSA-N 336.395 2.638 0 50 EFAA CCCc1nc(CNC(=O)c2cnc(-c3cccnc3)nc2)cs1 95352851 ZKKZYZJUBIVVQN-UHFFFAOYSA-N 339.424 2.878 0 50 EFAA CCCn1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)n1 91645615 HWEHILDLXCQTJV-UHFFFAOYSA-N 340.427 2.658 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)N1C[C@@H]2CCCN[C@@H]2C1 91907218 OPDNEDMNCURJIU-GXFFZTMASA-N 329.227 2.583 0 50 EFAA CN(Cc1ccc2nsnc2c1)[C@H](C(=O)O)c1ccc(O)cc1 95352394 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330.436 2.543 0 50 EFAA CCn1c(C)cc(C)c(-c2n[nH]c(Cc3ccc(OC)cc3)n2)c1=O 824674611 SOGVJEGHRNIVBA-UHFFFAOYSA-N 338.411 2.870 0 50 EFAA CC(C)c1nnc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)s1 584896953 SPZCWROGBMFAFV-AWEZNQCLSA-N 331.441 2.925 0 50 EFAA COc1ccc(Cc2nc([C@@H]3CCOC3)n(-c3cccnc3)n2)cc1 670441518 BUTBKOLJVVYDFY-OAHLLOKOSA-N 336.395 2.766 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2c(C4CC4)cnn2C)C3)n1 685940478 BQPYEFPHIGPZSZ-KSSFIOAISA-N 327.432 2.543 0 50 EFAA CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(Br)cc1 1414091714 QGNIDNZXJBHQBA-INIZCTEOSA-N 347.256 2.896 0 50 EFAA CON(C)C(=O)c1ccc(NC(=O)NC2(C(F)(F)F)CCC2)cc1 1350030693 ATGIKTGULACYOX-UHFFFAOYSA-N 345.321 2.927 0 50 EFAA CCCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)CC)cc1Cl 952873585 LXFPMOYYLSPKLK-SNVBAGLBSA-N 333.837 2.891 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](CC(=O)O)C2)c2ccccc2n1 663023598 WWJHUZTXHVHJNF-GFCCVEGCSA-N 328.368 2.570 0 50 EFAA C[C@@H](NC(=O)C1SCCS1)[C@H]1CCN(Cc2ccccc2)C1 272325833 VIIGHWJMOQJMJE-HIFRSBDPSA-N 336.526 2.819 0 50 EFAA CC(=O)c1ccc(-c2nc(CC(=O)NCc3ccccc3)no2)cc1 170606352 ZHHBUQBSETXFJN-UHFFFAOYSA-N 335.363 2.798 0 50 EFAA Cc1ccc(CS(=O)(=O)Nc2nnc(-c3ccco3)o2)cc1F 187088621 WOYAQOCXMBZOQG-UHFFFAOYSA-N 337.332 2.719 0 50 EFAA Cc1nc(NC(=O)c2cn(C(C)(C)C)nn2)ccc1Br 191913902 YGIMPLKCJICNII-UHFFFAOYSA-N 338.209 2.751 0 50 EFAA COc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)c(OC)c1 675534803 VUGQGWQNIYTVAT-GVDBMIGSSA-N 348.443 2.503 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cnn(C(C)C)c1N 798119415 ZDFFDMZFFSSVFR-CQSZACIVSA-N 330.436 2.630 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)CCc2nc3ccc(F)cc3[nH]2)s1 1529168853 OHXXTAWOOWHMIP-MRVPVSSYSA-N 349.391 2.832 0 50 EFAA COCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CC(C)C)C2)o1 216943911 QTBOZGKJPDDATO-ZBFHGGJFSA-N 348.443 2.535 0 50 EFAA O=C1CC[C@H](N2CCC(c3ccnc(O)c3)CC2)CCN1CC1CC1 1772814167 MMNGSEUEHQMQIM-SFHVURJKSA-N 343.471 2.758 0 50 EFAA CCOC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11816915 CHHCPOJNCBXIBA-KRWDZBQOSA-N 347.459 2.959 0 50 EFAA CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1-n1cnnn1 12323181 FFRMCBLBFAVNFP-UHFFFAOYSA-N 327.775 2.588 0 50 EFAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cccs1 206232353 RWYCMBNYVPKVBX-CYBMUJFWSA-N 341.392 2.557 0 50 EFAA CC[C@@]1(C(=O)NCc2cc[nH]n2)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1 1857700711 GFRKOYXMHYZJES-KVSKMBFKSA-N 342.443 2.761 0 50 EFAA Cc1nc(NC(=O)c2cnc(O)nc2O)cc(-c2ccccc2)c1C 1857711632 BAWMTUBBPKBVNU-UHFFFAOYSA-N 336.351 2.819 0 50 EFAA C[C@@H]1CN2C[C@H](N=c3[nH]c4cc(C(C)(C)C)ccc4o3)C[C@H]2CO1 1857726536 WJEZJBFHEVUEJT-YUELXQCFSA-N 329.444 2.821 0 50 EFAA COc1cc(C(=O)O)cc(OC)c1-c1ccc([C@H]2CNC(=O)C2)cc1 1875248566 XYKQIDYSOIFNLC-CQSZACIVSA-N 341.363 2.673 0 50 EFAA Cc1noc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)n1 225441960 ODMOXZHLJLIVBV-ZDUSSCGKSA-N 327.306 2.970 0 50 EFAA O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2Cl)o1 112660979 QEDDMEPXHBGYHZ-LLVKDONJSA-N 342.786 2.936 0 50 EFAA C[C@H](c1nc2ccccc2s1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635015684 HCVSNXZMRKQUON-WBMJQRKESA-N 345.468 2.838 0 50 EFAA COC[C@@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(F)cc1 240465874 GBBAMUZAHXUVBQ-LJQANCHMSA-N 344.430 2.631 0 50 EFAA O=C(NCCc1nc2c(s1)CCCC2)c1cnn2ccccc12 341093242 SVHDEKYVQMZGEA-UHFFFAOYSA-N 326.425 2.642 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(Cc2ccccc2)[nH]1 935183689 LAZBKFIYDSVANG-QGZVFWFLSA-N 335.411 2.711 0 50 EFAA Cc1nonc1CC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 845927780 HFBMQARIQCYDMM-SECBINFHSA-N 327.306 2.687 0 50 EFAA CC(C)[C@@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCC1 1875344304 BNPREEYKDRWCAU-HXUWFJFHSA-N 347.478 2.889 0 50 EFAA Cc1cccc(C)c1-n1nnnc1NC(=O)COC1CCCCC1 1775990096 JKQHXXKWMDJCCP-UHFFFAOYSA-N 329.404 2.567 0 50 EFAA Cc1cc(O)nc(CNC(=O)[C@H](C)c2ccccc2C(F)(F)F)n1 898262806 LMCSCSUGLORLOZ-SNVBAGLBSA-N 339.317 2.929 0 50 EFAA CCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)nn1 899869210 WSDDZENELBXEMB-AWEZNQCLSA-N 327.432 2.666 0 50 EFAA Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 617748 YCUJTBKQNNHYMV-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA O=C(O)[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)O1 2325813068 IGGGUJVVSQVTCM-XQLPTFJDSA-N 337.803 2.582 0 50 EFAA COc1cc(CN(C)C2=NC[C@@H](c3ccccc3)N2)cc(OC)c1 2325864307 LXCHHAKHSWKMIJ-SFHVURJKSA-N 325.412 2.836 0 50 EFAA CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H]1OCC[C@H]1C(=O)O 2332239255 BGULIBZMOZEQNR-IAGOWNOFSA-N 347.455 2.984 0 50 EFAA CCOC(=O)[C@H](C)Oc1c(Br)cc(C=O)cc1OC 618705 DYMZKHNCCPUNSE-QMMMGPOBSA-N 331.162 2.601 0 50 EFAA COc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 984886 IRXNDNJDQATYQA-SGTLLEGYSA-N 343.379 2.662 0 50 EFAA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1 2474399 VIZUXHWYDJXQLK-RISCZKNCSA-N 330.409 2.898 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 4156475 WGLBVSUVLNRMNR-CQSZACIVSA-N 338.404 2.750 0 50 EFAA CSc1nsc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 4502719 WSLUOBXVNOMWAN-UHFFFAOYSA-N 341.439 2.720 0 50 EFAA Cc1cccc(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)c1 411198224 LSPDWFJYXHJOGO-MRXNPFEDSA-N 326.444 2.571 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1c(F)ccc(OC)c1F 55271072 UTHNSKFEPAEEDO-LLVKDONJSA-N 339.338 2.980 0 50 EFAA Cn1nnnc1SCCCNCc1ccccc1C(F)(F)F 10434520 LSZRWDWASUNLCF-UHFFFAOYSA-N 331.367 2.501 0 50 EFAA Cc1cc(CNc2cccc(NC(=O)NCCC(N)=O)c2)c(C)o1 225492769 GJBWWMKBLRTVQK-UHFFFAOYSA-N 330.388 2.505 0 50 EFAA CCOc1ccccc1CN1CCN(C2CCCC2)C[C@@H]1CCO 23375415 JJUAWDOMAHLLAB-IBGZPJMESA-N 332.488 2.897 0 50 EFAA Cc1nc(N2CCCC2)nc(-c2ccc(S(C)(=O)=O)cc2)c1C 65399164 AOEGEPORWGNAGP-UHFFFAOYSA-N 331.441 2.764 0 50 EFAA CC(=O)c1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 22919121 UWPRIKQULIUDOH-FQEVSTJZSA-N 330.472 2.700 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2C)n[nH]1 119577407 MAXNKXCQWLDXNK-LBPRGKRZSA-N 342.447 2.774 0 50 EFAA CC(=O)Nc1cc(NC(=O)N(C)CCCN2CCCC2)ccc1F 281389318 ODAKKUCAZYHLOG-UHFFFAOYSA-N 336.411 2.734 0 50 EFAA CN1CCC(Oc2ccc(N[C@H]3CCN4CCC[C@H]4C3)cn2)CC1 253370929 YHKHCHOJABMSLR-RDJZCZTQSA-N 330.476 2.593 0 50 EFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1(C(N)=O)CCOCC1 281146306 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Cc1ccc2nc([C@@H](C)NC(=O)N(C)CCCn3cccn3)[nH]c2c1 426674274 NKGYAWQTGUFFEH-CQSZACIVSA-N 340.431 2.861 0 50 EFAA Cn1cc(CCNC(=O)N(Cc2cccnc2)C2CCCCC2)cn1 426486049 VUJCSPOGTTUVEH-UHFFFAOYSA-N 341.459 2.902 0 50 EFAA CCCc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)no1 82166333 CSQSUTXPEGJKGA-INIZCTEOSA-N 329.400 2.844 0 50 EFAA Cc1ccc(N2N[C@](C)(CC(=O)Nc3ccccc3)NC2=S)cc1 334160610 INVJOGVZQBLTTI-GOSISDBHSA-N 340.452 2.939 0 50 EFAA CCOCCOc1cccc(NC(=O)NC[C@H]2CCCCCN2)c1 97823475 YTRFMHLRDWZTCR-MRXNPFEDSA-N 335.448 2.756 0 50 EFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cc1cncs1 290364468 GTEWJLWZSBUCSY-NSHDSACASA-N 331.445 2.538 0 50 EFAA COc1cccc(OCCCN(C)c2cc([C@H]3CCOC3)ncn2)c1 426438541 FYKXQWMUCCNUIA-HNNXBMFYSA-N 343.427 2.894 0 50 EFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCCc2cn[nH]c2)C1 97815077 MXSWSIWHPRMODE-GOSISDBHSA-N 340.471 2.679 0 50 EFAA CCc1ccc(CN(C)[C@H](C(=O)O)c2c(OC)cccc2OC)nc1 95368549 QTSRYUIUTAFODN-SFHVURJKSA-N 344.411 2.919 0 50 EFAA Cn1ccnc1C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 95517147 GNFLTKHJXJSULV-LJQANCHMSA-N 341.411 2.634 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)c2cc(F)ccc2Cl)C1 91819143 WRIGFQXNBVCQFE-INIZCTEOSA-N 329.799 2.730 0 50 EFAA O=C(CNc1ncnc2c1ncn2C1CC1)N1CCCc2ccccc21 292838971 VFRFZNGKNWSVBB-UHFFFAOYSA-N 348.410 2.553 0 50 EFAA C[C@@H](Cc1cnccn1)NCc1cc(=O)c2cccc(Cl)c2[nH]1 91434280 QWGHNVHVKSTQCN-NSHDSACASA-N 328.803 2.692 0 50 EFAA O=C(O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)nc1 91725528 DRFQBCSVEJJPEL-SJLPKXTDSA-N 337.423 2.881 0 50 EFAA O=C(NCCN1CCc2ccccc21)c1cccc(-c2cn[nH]c2)c1 97766846 OSNZEDYLMKMDCQ-UHFFFAOYSA-N 332.407 2.869 0 50 EFAA C[C@H](Nc1nc(N)nc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 95354623 VZJNQPIHZCBLBE-NSHDSACASA-N 346.456 2.514 0 50 EFAA CC(C)=CCCN1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 92081431 CCBCHPORISORLI-UHFFFAOYSA-N 342.491 2.904 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 237071357 RRRVGCABUTXXBO-GOSISDBHSA-N 340.471 2.620 0 50 EFAA Cc1cc(NC(=O)CSCC(=O)NCC(C)(C)C2CCC2)no1 296514817 VBLHGMQQXINYMX-UHFFFAOYSA-N 339.461 2.597 0 50 EFAA COc1ccc(C(=O)N(C)C[C@H](C)NCC2CCC(C)(C)CC2)nn1 1403624658 HTRKNNMURCVDDD-AWEZNQCLSA-N 348.491 2.752 0 50 EFAA O=C(NCCc1ccc(O)cc1)N1CCCN(C2CCCC2)CC1 265741970 NGKYJCVKWQAFBI-UHFFFAOYSA-N 331.460 2.595 0 50 EFAA CNc1nc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)cs1 670446585 JRVLUXZDWJHGRP-NSHDSACASA-N 336.486 2.641 0 50 EFAA CCOCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 952971941 VXKSLEFRONRSAS-MRXNPFEDSA-N 332.444 2.658 0 50 EFAA COc1cccc(CC(=O)Nc2nnc(-c3ccncc3)s2)c1 202489206 RXRXIWOJWUYULB-UHFFFAOYSA-N 326.381 2.790 0 50 EFAA CCCC(O)(CCC)CC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 408520485 HUOXVVDFKFTXFE-UHFFFAOYSA-N 345.436 2.889 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N[C@@H](C)c2cc[nH]n2)c2c1CCC2 408515451 ZPMAMEWBVLEELE-ZDUSSCGKSA-N 335.411 2.884 0 50 EFAA Cc1ccc([C@](C)(O)CNC(=O)c2c(-c3ccccn3)noc2C)o1 165889044 IUAAEBIGDANDLE-GOSISDBHSA-N 341.367 2.584 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2cccc(F)c2)nn1 276311787 MNBJUIPPDFTUDS-LSDHHAIUSA-N 346.406 2.558 0 50 EFAA C[C@H](NC(=O)NCC1CCNCC1)c1ccccc1Br 668641985 RODSXEGXUKMVGA-NSHDSACASA-N 340.265 2.809 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCCNC(=O)C1CC1 195530131 GWUSZMXRRDHYES-CLCXKQKWSA-N 344.455 2.670 0 50 EFAA Cc1cccc(Cl)c1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1610522997 KRVLDOODUJJMSK-MEDUHNTESA-N 338.791 2.603 0 50 EFAA CN(Cc1ccc2nsnc2c1)Cc1noc(-c2ccco2)n1 1506403488 SIUNGDFVNODYJH-UHFFFAOYSA-N 327.369 2.966 0 50 EFAA CCc1nn(C)c(NC(=O)C2CCN(Cc3ccco3)CC2)c1CC 1529158626 HAHWJUYVZSDBFV-UHFFFAOYSA-N 344.459 2.989 0 50 EFAA COC(=O)[C@H]1CC2(CCC1=O)CCN(C(=O)OC(C)(C)C)CC2 118288921 JUBTYFPNWAWUOL-LBPRGKRZSA-N 325.405 2.546 0 50 EFAA COc1ccc(-c2onc(NC[C@@H](C)CN(C)C)c2C(=O)O)cc1 1704324882 AAOXCRSFCXTGNA-LLVKDONJSA-N 333.388 2.658 0 50 EFAA O=C(CCCc1cccs1)N[C@H]1COC[C@H]1Cc1ccncc1 1616080608 SKLICLRPIHZMIB-WBVHZDCISA-N 330.453 2.840 0 50 EFAA CCN(CC)c1ccc(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1 1704345157 WMJMFGUNIAGZQJ-SOLBZPMBSA-N 343.471 2.520 0 50 EFAA Cc1cc(C)n(C[C@@H](C)N2CCCN(C(=O)c3ccsc3)CC2)n1 1775984352 PWNWBFQCNZVKMP-MRXNPFEDSA-N 346.500 2.798 0 50 EFAA COc1cccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c1OC 1775977774 JCVRJZBAMSLHRM-LJQANCHMSA-N 341.411 2.547 0 50 EFAA CCc1[nH]nc2c1CN(c1nnc(CSc3ccncc3)o1)CC2 1772710511 ATSJKZPDHZCJEF-UHFFFAOYSA-N 342.428 2.605 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 12138532 RNMNRZYQFPQTPG-UHFFFAOYSA-N 326.352 2.775 0 50 EFAA Cc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)n[nH]1 12317664 HEEPNDMDBQMXBZ-OAHLLOKOSA-N 330.407 2.594 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@@H]3C)c2C)C[C@H]1C 13152788 PZUFJJVCCIFCJD-PJQZNRQZSA-N 347.411 2.833 0 50 EFAA O[C@@H](COC1CCCCC1)CN1CCN(c2ccccc2F)CC1 16578639 XFQRGMPDUTWLCJ-MRXNPFEDSA-N 336.451 2.658 0 50 EFAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1CCCC1 17056891 HXLSEIFPYKSYJN-UHFFFAOYSA-N 349.481 2.578 0 50 EFAA O=C(c1ccc[nH]1)N1CCC2(CC1)NC(c1ccc(Cl)cc1)=NO2 169755064 JBZQAFYMNKOQEK-UHFFFAOYSA-N 344.802 2.582 0 50 EFAA Cc1nnc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)s1 1857668259 USYDSBMTAGKMBN-UHFFFAOYSA-N 325.441 2.837 0 50 EFAA CCCCn1nc(COc2ccccc2)nc1[C@H]1COCCN1C 1857737661 XXLGXBIRHLOWRN-MRXNPFEDSA-N 330.432 2.660 0 50 EFAA COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 898481 MPWZJVCAMFAIGV-ZDUSSCGKSA-N 325.364 2.882 0 50 EFAA endogenous,in-man O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCC[C@@H]1c1cccs1 328685461 FQBKZQVEQJHLMZ-CHWSQXEVSA-N 327.471 2.627 0 50 EFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1 12155379 UTOAYOMSIIHPIQ-QGZVFWFLSA-N 341.459 2.597 0 50 EFAA COc1cccc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1 151424595 FKPWYWBWOQJKDI-LJQANCHMSA-N 340.423 2.925 0 50 EFAA Cc1nc(C2(NC(=O)CC3C[C@@H]4CC[C@H](C3)N4)CCCCCC2)no1 151929268 VYZSCVRHLYGIEB-MQVJKMGUSA-N 346.475 2.964 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)c2ccc3[nH]cnc3c2)C1 155562335 JBAMDLSUEWXMMO-AWEZNQCLSA-N 336.395 2.580 0 50 EFAA COCc1cc(NC(=O)c2cc3c(s2)CCOC3)cc(C(=O)O)c1 263080470 LDRLPYCQBWLJKW-UHFFFAOYSA-N 347.392 2.918 0 50 EFAA Cn1c(C(=O)O[C@H]2Cc3ccccc3C2=O)cc2ccccc2c1=O 803871926 QTRUDZZBUJKRAB-KRWDZBQOSA-N 333.343 2.503 0 50 EFAA Cc1cc(NC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)nn1-c1ccccc1 930679857 ONZXAUYNHBOQST-BEFAXECRSA-N 339.443 2.596 0 50 EFAA O=C(c1ccccc1-n1cccc1)N1CCC[C@H](Cn2cncn2)C1 933238131 SJXCOFGGPBXSCO-INIZCTEOSA-N 335.411 2.621 0 50 EFAA O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)N1CCC[C@H]1CO 952993378 MVXUIYAONXIUIJ-WFASDCNBSA-N 328.334 2.557 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(CCO)Cc2ccsc2)cc1 1875373457 BKVRVODPSAAJMZ-UHFFFAOYSA-N 344.436 2.532 0 50 EFAA COc1ccccc1CN(C)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875398400 OLOVXJSDLZCVDJ-QWHCGFSZSA-N 343.427 2.723 0 50 EFAA C[C@H]1CCCN(C(=O)COCc2nc(-c3ccccc3)no2)CC1 888101010 NRHWNPWOQBINJG-AWEZNQCLSA-N 329.400 2.902 0 50 EFAA COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1OC 109788 BADYCCOWMQBYKC-OAHLLOKOSA-N 343.379 2.958 0 50 EFAA Cn1cnc2nc(N3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ncc21 2100541277 YSPCUUQNMQXPCZ-ZDUSSCGKSA-N 347.426 2.699 0 50 EFAA O=C(O)[C@H]1CCN(c2nc(-c3ccccc3)nc3ccccc23)C[C@H]1O 2100548124 VATOXGONRMKZEN-DOTOQJQBSA-N 349.390 2.569 0 50 EFAA CN(Cc1ccc(-n2cccn2)c(F)c1)C[C@@H]1CCc2nccn2C1 2325747092 PWTVEUSJLZZSLI-INIZCTEOSA-N 339.418 2.902 0 50 EFAA CSC[C@H](Cc1cccs1)Nc1cc(-n2cccn2)nc(=N)[nH]1 2325784199 HFPNWAGTPBBPPH-NSHDSACASA-N 346.485 2.523 0 50 EFAA CC(C)(C)c1cn([C@@H]2CC[C@H](C(=O)N[C@@]34C[C@H]3COC4(C)C)C2)nn1 2325824450 BFZGGXLBZLMMKX-PJHJGJPPSA-N 346.475 2.601 0 50 EFAA Cc1nc([C@@H](C)N)sc1C(=O)NCc1ccn(-c2ccccc2)n1 2325857027 MLJOZWBEOHZQHA-LLVKDONJSA-N 341.440 2.587 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F 130216 ZSPAWQYVSOMEGJ-UHFFFAOYSA-N 328.343 2.550 0 50 EFAA O=C(NCCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 406544 SHVZBUQJPBRKFB-UHFFFAOYSA-N 338.816 2.571 0 50 EFAA Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 450827 PLYXURQNISEGOO-UHFFFAOYSA-N 335.816 2.935 0 50 EFAA C[C@@H](CNC(=O)CCc1ccccc1)NC(=O)CCc1ccccc1 2132214 FUCBFHQOYLVDDA-KRWDZBQOSA-N 338.451 2.873 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C1CCN(c3cccc(C)c3C)CC1)C2 2356138016 FEXKHKRYWBZCBZ-RXVVDRJESA-N 344.499 2.867 0 50 EFAA CCCN(C(=O)CSc1nnc(C(C)C)n1N)c1ccccc1 2544661 XSNHEVXQFPHRBK-UHFFFAOYSA-N 333.461 2.651 0 50 EFAA O=C1CC[C@@H](N2CC3(COc4ccccc4C3)C2)CCN1CC1CC1 2356152389 HDJSYWBERACWQA-GOSISDBHSA-N 340.467 2.715 0 50 EFAA O=Cc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 2861622 SYTKJLKBOAZZIE-UHFFFAOYSA-N 336.347 2.864 0 50 EFAA CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C 4867397 KPEQACMDLOIUNT-UHFFFAOYSA-N 335.791 2.969 0 50 EFAA CN(CCCNC(=O)C1CCC1)C(=O)[C@H]1CCC(=O)c2ccccc21 341661298 MWGJSPWOFJRBOK-KRWDZBQOSA-N 342.439 2.512 0 50 EFAA CCOc1ccccc1CCCNC(=O)[C@@H]1COc2ccccc2O1 10110955 TTXZBWAFMUDUJL-IBGZPJMESA-N 341.407 2.974 0 50 EFAA CC(=O)c1c[nH]c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1 113208311 LVAVPXCFYNEBMI-UHFFFAOYSA-N 339.439 2.954 0 50 EFAA CCNc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1 55575546 UHEHAAQHRGDMGA-UHFFFAOYSA-N 333.505 2.842 0 50 EFAA COC[C@@H]1CCCCN1C(=O)CCc1nnc(-c2ccsc2)o1 20452440 BDTUBTICQNGTFR-ZDUSSCGKSA-N 335.429 2.758 0 50 EFAA COc1cccc(-c2cc(CN[C@@H](C)C(=O)NC3CCCC3)on2)c1 65396028 QZZOJJCQJSYAJP-ZDUSSCGKSA-N 343.427 2.887 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1OCCc2ccccc21 138189725 VMZNBHKZZPWLPM-LJQANCHMSA-N 333.391 2.803 0 50 EFAA Cc1cccc(OC2CCN(C(=O)COC[C@H]3CCCCO3)CC2)c1 77428671 VGYBPMGCPVXTSO-LJQANCHMSA-N 347.455 2.951 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccccc2)C[C@@H](C)O1 229518119 CINKNQWGUFBWKR-ZIFCJYIRSA-N 330.472 2.719 0 50 EFAA Cc1ccc2c(c1)cc(CN1CCC(N3CCC(O)CC3)CC1)n2C 72435534 JNHOZMGIEUOSFS-UHFFFAOYSA-N 341.499 2.908 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 328628047 GVLMMIJJUVCMLJ-ZDUSSCGKSA-N 335.477 2.626 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3nc4c(s3)C[C@H](C)CC4)O2)n1 328628589 NXTXLWCUYVTKTF-QKCSRTOESA-N 348.472 2.969 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CCO2)o1 328613475 SCDCNNLLMYULKJ-OAGGEKHMSA-N 341.411 2.897 0 50 EFAA O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)N[C@H]1C[C@H](c2ccccc2)C1 253428867 RLCWTSBRLGAGOD-DWRORGKVSA-N 330.428 2.570 0 50 EFAA O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(O)c2ccccc2c1 253419007 GNQAAQXENYBZKC-INIZCTEOSA-N 348.406 2.734 0 50 EFAA CCSCC[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2CCO 253404914 VYSBKLATQVOKJN-GFCCVEGCSA-N 335.473 2.599 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 357579060 GRODNUQFLLERPJ-MRXNPFEDSA-N 338.415 2.607 0 50 EFAA O=C(CCc1ccccc1)[C@@H]1CCCN(CC(=O)N2CCCCC2)C1 72167009 IIGISOBVHJXBMX-LJQANCHMSA-N 342.483 2.913 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 71745782 IAJFDRYZJHLIEU-OAHLLOKOSA-N 325.412 2.563 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cc[nH]n2)CCCN1Cc1ccc(F)cc1 71760434 RPDJIRNPSJXSAM-GOSISDBHSA-N 344.434 2.922 0 50 EFAA COCc1nc(CN2CCC[C@H](OCc3ccccc3F)C2)no1 376095194 MYOOMMRJYXJVPE-AWEZNQCLSA-N 335.379 2.536 0 50 EFAA Cn1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1=O 215677215 XFUZOWQLDRABDV-UHFFFAOYSA-N 336.844 2.702 0 50 EFAA Cc1nc(-c2ccc(N3CC[C@H](n4cccn4)C3)nc2)nc(O)c1C 365770371 YXGWMCZZZOXYGB-HNNXBMFYSA-N 336.399 2.509 0 50 EFAA CCCc1nc(NCCN2CCc3ccccc32)c2cnn(C)c2n1 72424248 OYOBCOKXCQVFNR-UHFFFAOYSA-N 336.443 2.790 0 50 EFAA CCc1nc2c(N3CCN(c4ccc(Cl)cn4)CC3)ncnc2o1 77488231 CWWZNMLCKDRQPO-UHFFFAOYSA-N 344.806 2.555 0 50 EFAA O=C(COc1ccc2c(c1)CCCC2)NC1CCC(C(=O)O)CC1 262200577 SGKCWWIQLHOCFL-UHFFFAOYSA-N 331.412 2.704 0 50 EFAA CC1(C)C[C@H](c2ccccc2)N(S(=O)(=O)c2cnc3n2CCC3)C1 333504130 SLIYEFXZZUYBKR-OAHLLOKOSA-N 345.468 2.991 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CCC(=O)NC12CCC2 282641271 HAUIIYXDKIOXRA-ZDUSSCGKSA-N 340.345 2.565 0 50 EFAA COc1c(Cl)cc(N2C(=O)N[C@@]3(CCSC3)C2=O)cc1Cl 333722617 OEJQZFJXBMRFRL-CYBMUJFWSA-N 347.223 2.934 0 50 EFAA O=C(c1cc[nH]c(=O)c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 131353485 KTWBHRIOUCGZIT-ROUUACIJSA-N 340.423 2.883 0 50 EFAA Cn1c(CN[C@H]2CCc3ccccc3OC2)nnc1-c1ccccc1 338321497 IPYYBRUDECFFPB-KRWDZBQOSA-N 334.423 2.966 0 50 EFAA FC(F)(F)c1n[nH]c(CNc2cncc(-c3cccs3)n2)n1 338705812 LGMLCGMDMXFCBI-UHFFFAOYSA-N 326.307 2.954 0 50 EFAA c1ccc(-n2nnnc2N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1 82106961 JFCNXCQVVYAAEK-MRXNPFEDSA-N 349.442 2.653 0 50 EFAA CCN(Cc1ccc(C)o1)C(=O)NCc1cn2nc(C)sc2n1 426380650 PJMPZVFSDSPXMT-UHFFFAOYSA-N 333.417 2.732 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cc(F)ccc1O 221283712 UKYBSUAPLZFGIX-AEFFLSMTSA-N 345.370 2.635 0 50 EFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc2ncccc2c1 222811667 JFIRXWJPABCCCT-SFHVURJKSA-N 339.439 2.608 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 263531587 MPOJASLSMQSOGD-GXTWGEPZSA-N 328.343 2.985 0 50 EFAA CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](CNc2ccccn2)C1 222197862 ZZIQDQBOEYBTKD-DLBZAZTESA-N 330.476 2.607 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc(=O)cc(C)[nH]2)c2ccncc2)cc1 426612524 FMSDCGBXQLTFJS-IBGZPJMESA-N 349.390 2.606 0 50 EFAA O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@@H](Cc2ccc(F)cc2)C1 177308919 VNVXKNCRXZQKAP-GOEBONIOSA-N 343.406 2.526 0 50 EFAA CC[C@H](NC(=O)c1nn(C)cc1C(=O)O)C12CC3CC(CC(C3)C1)C2 20614561 DMBRQJNAJBCXKV-GNIFAOBRSA-N 345.443 2.843 0 50 EFAA CCC1(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)CCOCC1 290812145 ZBEBUVOARYXFTB-IBGZPJMESA-N 349.446 2.786 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H]1NC(=O)N(C)C 91997336 ZZYSPDVRARMYCC-JKSUJKDBSA-N 348.491 2.611 0 50 EFAA O=c1cc(CNCc2ccc(CO)cc2)[nH]c2c(Cl)cccc12 91474544 YUUZFHHRPTZUGV-UHFFFAOYSA-N 328.799 2.964 0 50 EFAA CC(C)n1cnnc1CN(C)C(=O)c1cc(-c2cccs2)nn1C 95380853 IVMLUFBCJQXKLT-UHFFFAOYSA-N 344.444 2.593 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)n(C)n1 91364605 SNLIIBNWVITOAU-OAHLLOKOSA-N 332.492 2.613 0 50 EFAA Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95366662 WGSHSRWRUSHKMP-ZDUSSCGKSA-N 347.802 2.792 0 50 EFAA Cc1nc2ccccc2nc1CN1CC(=O)N(C)c2ccccc2C1=O 95503795 PRGNQUIFQNSJBD-UHFFFAOYSA-N 346.390 2.557 0 50 EFAA CCCN1C[C@@H](NC(=O)Nc2cc(F)cc(F)c2Cl)CC1=O 97173295 CYAYXBCVUFUHBF-VIFPVBQESA-N 331.750 2.751 0 50 EFAA CCCn1ncc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1C 91563342 VHCWBIBTIXUNFH-SFHVURJKSA-N 328.460 2.943 0 50 EFAA COc1cccc(-c2cc(C(=O)NCCC[C@H]3CCOC3)[nH]n2)c1 91381159 IAKPNNZEGWEEQT-ZDUSSCGKSA-N 329.400 2.632 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 252536570 IWNJNCOBUKBMDE-BJHJDKERSA-N 340.406 2.520 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1c(C)nc(C)nc1O 299790857 CDPSCSARNFPLQE-QGZVFWFLSA-N 341.411 2.544 0 50 EFAA Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(CN3CCCC3)o2)n1 825300774 OQASFFFBPZEMSH-HNNXBMFYSA-N 344.415 2.934 0 50 EFAA CCSc1nc(C)c([C@H](CC)C(=O)NC[C@@H](O)C2CC2)s1 1417668955 MATYCSOUQXZPEZ-NWDGAFQWSA-N 328.503 2.944 0 50 EFAA CC(C)C(=O)N1CCC[C@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 952974333 WKBJMCTZLVZNDG-ZDUSSCGKSA-N 340.370 2.745 0 50 EFAA Cc1cc(C)n(-c2cncc(NC[C@H]3CC(=O)Nc4ccccc43)n2)n1 301502804 BMYCFTTYATZONE-CQSZACIVSA-N 348.410 2.817 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2csc3ccccc23)o1 275364724 NCIFSVCEFKXTSK-CYBMUJFWSA-N 329.381 2.806 0 50 EFAA C[C@H]1OCCC[C@H]1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 189840388 NIUPZIHMUNAGDW-TZMCWYRMSA-N 339.382 2.902 0 50 EFAA C[C@@H](O)CNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 192538346 BHGDCJYAEXTBCQ-SNVBAGLBSA-N 339.848 2.686 0 50 EFAA CNC(=O)Cc1ccc(N[C@H](C)c2nnnn2C2CCCCC2)cc1 682459337 APJWPKQMXHWWHT-CYBMUJFWSA-N 342.447 2.640 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)nc1 193816896 MGSYIZHEBHQWGL-LBPRGKRZSA-N 331.416 2.698 0 50 EFAA COc1ccc(/C=C/CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)cc1 1616084596 SFGMPPCMEGXZNS-YKTDSXCKSA-N 328.412 2.540 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)CSc2nc(C)cs2)s1 1529179993 AJAKCFHVIBZHKF-SSDOTTSWSA-N 330.460 2.741 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1c1ccc(F)cc1 222513867 BWTHUCPICOJHHP-NEPJUHHUSA-N 333.281 2.795 0 50 EFAA CC(C)NC(=O)N1CCCN(C(=O)c2ccc3ncccc3c2)CC1 1775981466 DVMUQXUNMJZQPX-UHFFFAOYSA-N 340.427 2.501 0 50 EFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 13659345 FMNXERUXFFRVFL-ZDUSSCGKSA-N 329.849 2.975 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 11933681 QNJNNVQLJABDDU-INIZCTEOSA-N 342.443 2.817 0 50 EFAA CC(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)cc(C)c3)CC2)O1 12205967 IWHPLDVQWMVVKQ-IBGZPJMESA-N 330.472 2.953 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 12382600 PHJYSWLLPKZPMZ-HUUCEWRRSA-N 332.400 2.654 0 50 EFAA COC(=O)C1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)CC1 12305576 HVXREBQDMBHDDK-UHFFFAOYSA-N 347.390 2.609 0 50 EFAA CN(Cc1cnn(C)c1)CC1CCN(CCc2ccccc2F)CC1 12439467 IUFVEGDIWFTQRZ-UHFFFAOYSA-N 344.478 2.946 0 50 EFAA Cc1cccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 13647941 QLXWQEARMBOUPP-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA O=C(c1cnc[nH]1)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1 19148384 KONPUSYFDRAYSJ-UHFFFAOYSA-N 342.447 2.601 0 50 EFAA COc1cc(OC)c(OC)cc1CN[C@@H](C)[C@@H](O)c1ccccc1 19872106 BGXAAVCLMBIUIZ-ORAYPTAESA-N 331.412 2.924 0 50 EFAA Cc1nnc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)s1 1857709570 GESDHRCFWBAHJU-CHWSQXEVSA-N 325.478 2.772 0 50 EFAA CC(C)c1csc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n1 1857740302 MNRGGGOFBGZNIX-DAYGRLMNSA-N 349.500 2.824 0 50 EFAA O=C(Cc1noc(CCCC2CC2)n1)Nc1ccc2c(c1)OCCO2 812455100 ADDIYBLHXNCIKN-UHFFFAOYSA-N 343.383 2.755 0 50 EFAA O=C(c1ccc2cncn2c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 225811510 ROXQFFDPKOHWOZ-YOEHRIQHSA-N 343.333 2.561 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 2882203 SWWZUAFCOAZNCZ-NSHDSACASA-N 333.837 2.504 0 50 EFAA CO[C@@]1(c2nnc(CN3CCCc4ccc(C)c(F)c43)o2)CCOC1 644278511 MHQGMSMOLHUWCA-SFHVURJKSA-N 347.390 2.732 0 50 EFAA COc1ccc(C(=O)NCc2c(C(=O)O)sc3ccccc23)cn1 676019083 QVMZBZNXXYDISZ-UHFFFAOYSA-N 342.376 2.933 0 50 EFAA CCNC(=O)c1cc(NC(=O)C2(COC)CCC2)nc2ccccc12 253415238 MGKRISUFLRENFU-UHFFFAOYSA-N 341.411 2.740 0 50 EFAA O=C(N[C@@H](CO)c1c(F)cccc1F)c1ccnc(NC2CCC2)c1 901301224 BIIKWKAPQMMUEM-HNNXBMFYSA-N 347.365 2.788 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)s1 843989027 USHAEVLPBVPOFR-JTQLQIEISA-N 344.440 2.781 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCCn3ncc(Cl)c32)cc1 952994655 DTOIMWMBIBNYNY-UHFFFAOYSA-N 341.820 2.534 0 50 EFAA COc1cc(C(=O)O)nc(C(=O)N(C)[C@H](C)Cc2ccc(F)cc2)c1 1875277387 JMOGYYPYJGZCBC-LLVKDONJSA-N 346.358 2.631 0 50 EFAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1ncc(C2CCC2)o1 1875399886 LJDUXYHSBRCBDA-OCCSQVGLSA-N 329.404 2.754 0 50 EFAA OCc1cc(Br)ccc1NCc1cn(C2CCC2)nn1 897826373 IIKSSOFVBVLOHI-UHFFFAOYSA-N 337.221 2.870 0 50 EFAA Cc1nc(-c2ccnn2C(C)C)n(-c2ccc3c(c2)OCCO3)n1 2100557647 XQQKCZCEWOOVAM-UHFFFAOYSA-N 325.372 2.791 0 50 EFAA c1ccc2c(c1)CC[C@]21CCN(c2nnnn2C[C@H]2CCSC2)C1 2325764970 JYCICZDHYBZYDX-RDTXWAMCSA-N 341.484 2.521 0 50 EFAA CCOc1ccc([C@@H](NC(=O)c2ccn3c2CCCC3)C(=O)O)cc1 2325775264 QBCSUBDQSPKQSD-QGZVFWFLSA-N 342.395 2.779 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)[C@H]3C[C@H](N(C)C)C3)CC2)c1 2325784742 GUZPYRSTKVIWMN-KOMQPUFPSA-N 333.451 2.559 0 50 EFAA Cc1nc(CC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)n[nH]1 1467551840 GLOZNQVHWJVDRO-UHFFFAOYSA-N 345.309 2.760 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 44786 SMJYNFDABLNZDX-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA Cc1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 80101 MDPPTXNTXOHRIH-CQSZACIVSA-N 332.425 2.788 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 179640 RNOGZXLIKIXCNY-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA O=S(=O)(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 407742 GFQZKOOXVYKHIC-UHFFFAOYSA-N 336.844 2.851 0 50 EFAA COc1cc(Nc2cccc(C(=O)N(C)C)c2)c(C(=O)O)cc1OC 2356146864 YBOIJCMCNCVSBI-UHFFFAOYSA-N 344.367 2.847 0 50 EFAA CN(Cc1ccccc1CN1CCCC1)Cc1cccc2ncnn12 2356151584 OTEFKLLYNAHAIQ-UHFFFAOYSA-N 335.455 2.957 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1 4487336 XATADIQRHUCNPY-UHFFFAOYSA-N 325.412 2.539 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 4828730 ISQYYDWEIOZVRH-UHFFFAOYSA-N 343.379 2.873 0 50 EFAA O=C(Nc1cccnc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7782162 FPUZOARIPOBXHP-ZDUSSCGKSA-N 329.787 2.722 0 50 EFAA CCOC(=O)c1cccc(NC(=O)NCCc2c(C)nn(C)c2C)c1 8608997 XXFKAVGVHUHZMW-UHFFFAOYSA-N 344.415 2.578 0 50 EFAA Cc1cc(NC(=O)[C@H](C)n2cncn2)ccc1NC(=O)C(C)(C)C 55575448 ZYWIVRPUFOLWBK-LBPRGKRZSA-N 329.404 2.771 0 50 EFAA C[C@@H](COC(=O)C(C)(C)c1cccc(Cl)c1)N1CCOCC1 225690616 YKHFDLUFVMUZOG-ZDUSSCGKSA-N 325.836 2.882 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCc2ncnn2C1 112744010 CBASMBYNYHDOCC-GXTWGEPZSA-N 343.431 2.507 0 50 EFAA Nc1nccnc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 114681337 MUNFYXDJWWVMEG-UHFFFAOYSA-N 348.288 2.516 0 50 EFAA COC1(C(F)(F)F)CCN(c2nnc(-c3ccon3)s2)CC1 418984079 KVRRRJLBUDMGKH-UHFFFAOYSA-N 334.323 2.741 0 50 EFAA C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57291798 BADCTCWZSZYNLQ-YJBOKZPZSA-N 333.451 2.643 0 50 EFAA O=C(CNCCc1nc2c(s1)CCC2)NC1CCCCCCC1 65371042 WLFHMDBKAQTSQI-UHFFFAOYSA-N 335.517 2.993 0 50 EFAA CCCCc1nc(C2CCN(c3ccc(Cl)nn3)CC2)cc(=O)[nH]1 63856746 YLFXVNNIUGPXGT-UHFFFAOYSA-N 347.850 2.940 0 50 EFAA CN(C)C(=O)c1cccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 248514402 DXIWVAUSXYRKRR-OIISXLGYSA-N 330.428 2.606 0 50 EFAA C[S@](=O)c1ccc(NC(=O)CCc2ccccc2C(=O)O)cc1 347350694 RFNVGTMFLJCRJT-QHCPKHFHSA-N 331.393 2.694 0 50 EFAA CC(C)c1c(C(=O)NC[C@@H](N)C2CC2)cnn1-c1ccc(F)cc1 137496088 DTJDONIITAQWKP-MRXNPFEDSA-N 330.407 2.602 0 50 EFAA COC[C@H](c1ccccn1)N(C)CC(=O)NC1CCCCCCC1 65460746 DXXJSQIXHAQWKU-GOSISDBHSA-N 333.476 2.930 0 50 EFAA CN(c1ccc(C(=O)N2CCCCCC2)c(Cl)c1)S(C)(=O)=O 67614172 GTMHZRAOQAQUDT-UHFFFAOYSA-N 344.864 2.752 0 50 EFAA CCn1c(C2CCN(c3nc4ccccc4cc3C)CC2)n[nH]c1=O 67649018 ZREVXMVBYZYCHY-UHFFFAOYSA-N 337.427 2.832 0 50 EFAA CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](N2CCCC2)C1 354395538 LHTHIPZQFHLEHW-NVXWUHKLSA-N 343.471 2.776 0 50 EFAA CSc1ncc(CN2CCC[C@H](OCc3cccnc3)C2)cn1 72159183 KSQDCQJUBMUHEA-INIZCTEOSA-N 330.457 2.775 0 50 EFAA C[C@@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccnc(O)c1 355257386 UHYCGPFTPMTMFK-SNVBAGLBSA-N 325.324 2.639 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1c(C)noc1C)CO2 121172280 QLPQLRCOCWKVAC-CQSZACIVSA-N 330.384 2.510 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2CCn2cccn2)cc1 216246530 HTBRPLOOQXREAC-QGZVFWFLSA-N 347.484 2.731 0 50 EFAA O=C(c1cn[nH]c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 328588836 RJWQXVDWXQUMJS-DNVCBOLYSA-N 349.394 2.654 0 50 EFAA COCC[C@@H](C)S(=O)(=O)N1CC[C@H](Oc2ccccc2Cl)C1 330907450 CGINBZNDPYBNIF-OLZOCXBDSA-N 347.864 2.548 0 50 EFAA COc1cc(C)cc(C(=O)N2CCC(CCCN(C)C)CC2)c1O 153787204 FJBQUGGDYMHBQV-UHFFFAOYSA-N 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Cc1nnc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)n1C 125974821 BPZFNVSOEQUUMQ-LJQANCHMSA-N 346.438 2.889 0 50 EFAA CCN1CC[C@@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 413818981 POINIJVSQUVNBY-CQSZACIVSA-N 329.366 2.941 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1ccc(F)cc1 331718598 QFNNECHLMBJTHY-JFOHDYCDSA-N 348.418 2.721 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2n[nH]c3ccccc23)c1 282361719 FSKTZSISMYJZFF-DYVFJYSZSA-N 337.379 2.520 0 50 EFAA O=C(C1CCCC1)N1CC[C@@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1 127760851 DAQYMCUVPWFQFG-QZTJIDSGSA-N 338.455 2.880 0 50 EFAA CCc1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)sc1C 237119827 MXTWKNBVDMZDTN-CYBMUJFWSA-N 325.430 2.715 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCn1cccn1 77356420 HCEFSZBBPWHFPS-MRXNPFEDSA-N 341.411 2.626 0 50 EFAA O=C1N[C@H](C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CS1 373879527 ULTRIDOWLNJDNN-DLOVCJGASA-N 344.358 2.893 0 50 EFAA COc1ccsc1C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1 262978847 UCAUVZYYLNLXDG-STQMWFEESA-N 331.393 2.697 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)N[C@H](C)c3ccncc3F)C2)n1 242389402 ZWYHJNFHERKSNT-ZYHUDNBSSA-N 333.367 2.562 0 50 EFAA Cc1nc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)nc2ccccc12 131405181 FUINYNXRAHAGKV-UHFFFAOYSA-N 348.410 2.648 0 50 EFAA CC(C)[C@@](C)(NC(=O)c1ccc(Br)c(Cl)c1)C(N)=O 287752474 HBWHBRARALSKLW-CYBMUJFWSA-N 347.640 2.732 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCc3cc(C4CC4)n[nH]3)cc2)nn1 426571870 ZFHLBMHVWAFTBY-UHFFFAOYSA-N 349.394 2.683 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(OC(F)F)c(Cl)c1 288164312 PNSYVWKYYUXZOA-MRVPVSSYSA-N 332.734 2.939 0 50 EFAA CSCCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C[C@@H]1C 82127049 UNMPRIMDKMLPLT-NSHDSACASA-N 326.849 2.657 0 50 EFAA CCS[C@H](C)c1nc(CC(N)=O)nn1Cc1ccc(CC)cc1 96140835 RFMONINMYDUEGZ-GFCCVEGCSA-N 332.473 2.731 0 50 EFAA Cc1[nH]c2c(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cccc2c1C 96164978 PMWOEQBZELHRPX-INIZCTEOSA-N 343.471 2.968 0 50 EFAA CC(C)n1cnnc1CN(C)c1nc(-c2cccnc2)nc2c1CCC2 292285459 MPLMRGOYJQYVNU-UHFFFAOYSA-N 349.442 2.836 0 50 EFAA O=C1NCCC[C@]12CCN(Cc1cccc(OC(F)(F)F)c1)C2 91425847 UTKMDKSKSLDBSG-OAHLLOKOSA-N 328.334 2.687 0 50 EFAA Cc1cnccc1NCCNC(=O)[C@@H](c1ccccc1C)N(C)C 95368397 JGYUUOJQCSEEGI-GOSISDBHSA-N 326.444 2.529 0 50 EFAA COc1ccccc1-n1nc(C2CC2)nc1CCn1ccccc1=O 96133540 QMZCPRYRPDUBJQ-UHFFFAOYSA-N 336.395 2.558 0 50 EFAA Cc1ccccc1[C@@H](C(=O)N(C)CCN(C)C1CCCC1)N(C)C 95382368 PIIQEDPTCRAOGZ-IBGZPJMESA-N 331.504 2.931 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)c2cnc(Nc3ccccc3)nc2)[nH]n1 95382825 ZVOHSJFYGBNWLJ-LBPRGKRZSA-N 336.399 2.613 0 50 EFAA CN1CCN(CCCNC(=O)Nc2ccc(-c3ccco3)cc2)CC1 96160351 SKWIVJJEVVDSQG-UHFFFAOYSA-N 342.443 2.706 0 50 EFAA CN(CCC1(O)CCCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 244700999 JYCVJCKBXFBJCG-HXUWFJFHSA-N 346.515 2.905 0 50 EFAA COc1ccc(CCN(C)Cc2noc([C@@H]3CCCO3)n2)cc1OC 244708030 KMHOYZMUHJUINW-HNNXBMFYSA-N 347.415 2.613 0 50 EFAA CC1(C)CN(C(=O)Nc2ccnnc2)C[C@H](COc2ccccc2)O1 297430642 OLSPANNGJNGYSA-MRXNPFEDSA-N 342.399 2.567 0 50 EFAA C[C@@H]1Oc2ccc(NC(=O)NCc3ccc(Cl)cn3)cc2NC1=O 182850594 DBKBCNIWGPVZRN-VIFPVBQESA-N 346.774 2.776 0 50 EFAA Cc1nc(CNC(=O)Nc2cccc3cn[nH]c23)nc2c1CCCC2 299761126 RUGMTEIASQTQKP-UHFFFAOYSA-N 336.399 2.862 0 50 EFAA CCc1nn(C)c(NC(=O)N[C@H](C)COc2ccccc2OC)c1C 299778613 SEDXKFGEFWQEFJ-GFCCVEGCSA-N 346.431 2.889 0 50 EFAA Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N2CCN(C)CC2)n1 823795767 SFELVKITISQFCO-UHFFFAOYSA-N 342.491 2.543 0 50 EFAA CN(C)[C@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 584900971 GWRHZMYMYCOUFD-AWEZNQCLSA-N 348.447 2.795 0 50 EFAA Clc1cccc(Cl)c1Cc1n[nH]c(CCCn2cncn2)n1 670447661 IFJBEKJKDGSQJF-UHFFFAOYSA-N 337.214 2.927 0 50 EFAA C[C@@H](CNCc1ccc2nc(O)[nH]c2c1)Cc1ccc2c(c1)OCO2 952972938 HMCQIQZNACWYBI-GFCCVEGCSA-N 339.395 2.966 0 50 EFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)CCc1cnn(C)c1 952965430 FGEWNVXQHKAFBJ-UHFFFAOYSA-N 339.443 2.629 0 50 EFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1coc2ccccc12 1565507193 FFKLDTGTJSQWHH-RDJZCZTQSA-N 338.363 2.794 0 50 EFAA Cc1nccc(N2CCCN(C(=O)c3cnc4ccccc4c3)CC2)n1 1057242417 QTRNLJYBLMUWQE-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)s1 408521153 JWDSTUOSBHDDDF-HIFRSBDPSA-N 329.425 2.510 0 50 EFAA FC(F)(F)[C@H](CN[C@@H]1CCCC[C@@H]1[C@H]1CCOC1)n1cncn1 631691907 NYIPOZJQRFEYEJ-DGAVXFQQSA-N 332.370 2.566 0 50 EFAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCCC[C@@H]1C1OCCO1 170625339 SRLBIQSSHYWHAW-HZPDHXFCSA-N 346.427 2.674 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)nn1C 187244581 GPSUYQFNFSGXRO-RDTXWAMCSA-N 328.460 2.965 0 50 EFAA Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)cc3)C2)n1 647142736 APYHRDRUMJPGCL-MRXNPFEDSA-N 327.384 2.675 0 50 EFAA CC(C)Sc1nnc(NC(=O)Cc2ccc3c(c2)OCO3)s1 1506400699 FVRIUGMPIMCBOD-UHFFFAOYSA-N 337.426 2.949 0 50 EFAA O=C(c1scc2c1CCCC2)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529161357 GAEQKXQCRRQYHO-NVXWUHKLSA-N 346.496 2.562 0 50 EFAA Cc1ccsc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 1772710298 PWIOOAZRYABFJI-OWCLPIDISA-N 344.480 2.943 0 50 EFAA Cc1ccc2nc3c(cc(C(=O)N4CCCC[C@@H]4C)n3C)c(=O)n2c1 12421576 WSZJCUXGZTXDAL-ZDUSSCGKSA-N 338.411 2.509 0 50 EFAA CN(C)CC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1 14948927 HHQQWDWWIHIZHI-MRXNPFEDSA-N 331.485 2.963 0 50 EFAA O=C(NCc1ccccn1)c1coc(COc2cccc(F)c2)n1 15070584 OCAHLMOEWMYHQP-UHFFFAOYSA-N 327.315 2.718 0 50 EFAA Cc1cc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc(C)c1Cl 15684918 QGQDKOATNVCHBW-ZNMIVQPWSA-N 327.852 2.806 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(Cc1ccncc1)C[C@@H]2C(=O)O 1857686380 SXXYLLSTMYTYRV-GOSISDBHSA-N 343.471 2.646 0 50 EFAA O=C(NC[C@H]1[C@H]2CN(CC3CCC3)C[C@]23CC[C@H]1O3)C1CCCCC1 1857715392 PHEFJODZJNKMKH-QEUVDIPISA-N 346.515 2.962 0 50 EFAA CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](Nc2ccccc2)C1 126183444 SYZHIEUESQPNMZ-INIZCTEOSA-N 331.460 2.642 0 50 EFAA CCCS(=O)(=O)Nc1cccc(N[C@H]2CCN(CC)C[C@H]2C)c1 241774200 RNWLWPAXTDBHDJ-PBHICJAKSA-N 339.505 2.981 0 50 EFAA COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc2nc(C)ccc2c1 134174433 RNKDBZZYQVSLNW-OAHLLOKOSA-N 344.436 2.664 0 50 EFAA CCC[C@](C)(CO)NC(=O)c1c[nH]c2ncc(Br)cc12 350857599 ATBJUQLHKSBPEL-CQSZACIVSA-N 340.221 2.606 0 50 EFAA O=C(O)[C@H]1CC12CCN(C(=O)C1(c3ccc(F)cc3)CCC1)CC2 675949578 BANZWOUFHPMFFF-OAHLLOKOSA-N 331.387 2.961 0 50 EFAA CNCCC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 262188847 LTGCGAPIGGZYRI-AWEZNQCLSA-N 345.468 2.922 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[C@H](N)C1 158061027 FYMYKYXXLNYKKY-JSGCOSHPSA-N 339.277 2.968 0 50 EFAA C[C@H](Nc1ncnc2c1CN(C)CC2)c1cccc(-n2ccnc2)c1 266175028 ACAJXRLFEQKRKJ-AWEZNQCLSA-N 334.427 2.823 0 50 EFAA O=C(NCCn1c2ccccc2c2ccccc21)[C@@H]1C[C@H]1c1nc[nH]n1 390833562 JJQJUGOMNCFDJN-HZPDHXFCSA-N 345.406 2.833 0 50 EFAA CC(C)c1cccc(C(=O)N(C)c2ccc(OCC(=O)O)cc2)n1 909785843 FGKIOQHSWUSUJY-UHFFFAOYSA-N 328.368 2.945 0 50 EFAA C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@@H]1COCCO1 818026841 YXONFHAWRPZPMS-BEFAXECRSA-N 344.455 2.760 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CCCC23CCN(C)CC3)c1 867143529 BRQQKGAPMBLGBL-UHFFFAOYSA-N 327.428 2.512 0 50 EFAA CC(C)CN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C1CCN(C)CC1 1875290458 HYFXMTAMULLWAN-UONOGXRCSA-N 348.491 2.624 0 50 EFAA CN(C)C/C=C/C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C 1875387648 QYYDRDIVHKJDMM-AATRIKPKSA-N 335.879 2.885 0 50 EFAA COc1ccc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1F 1875394892 ZYBRWDOYCCYIGB-WDEREUQCSA-N 347.390 2.552 0 50 EFAA CCN1C(=O)C[C@@H](CNC(=O)c2oc(C)cc2C)[C@@H]1c1cccnc1 886034072 IAYAGUGQYAAXIX-RDJZCZTQSA-N 341.411 2.631 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)c2cccc3[nH]ccc23)[C@@H]1c1ccncc1 886029059 ITXNAHYMVZDWFZ-LIRRHRJNSA-N 348.406 2.512 0 50 EFAA COc1cccc(Cl)c1CNC[C@@H](C(=O)O)C1CCOCC1 888099824 UCYBXGMYMUXQEO-GFCCVEGCSA-N 327.808 2.566 0 50 EFAA FC(F)(F)c1cc([C@@H]2CCCN(C[C@H]3C[C@H]4CC[C@H]3N4)C2)[nH]n1 1775985676 PZYYEINUUHEOGK-FDYHWXHSSA-N 328.382 2.748 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2CC3(CCCC3)CC[C@H]2CO)c1C 1775985370 DDLQFMDAPTWWJL-HNNXBMFYSA-N 332.444 2.991 0 50 EFAA O=C(NC/C=C/c1cccnc1)c1csc(N2CCCCC2)n1 897834164 DKABWJUKATZAAQ-FNORWQNLSA-N 328.441 2.972 0 50 EFAA Cn1nc(C(F)(F)F)cc1CS(=O)(=O)c1ccc2c(c1)CCC2 899466866 OZJGOKBAJIQHMM-UHFFFAOYSA-N 344.358 2.902 0 50 EFAA CC(C)N(CCOCCO)C(=O)Nc1cccc(Br)c1 252503712 VFZMWFLOGMVAAE-UHFFFAOYSA-N 345.237 2.700 0 50 EFAA COC[C@@H]1CN(c2ncc(Br)c3ccsc23)CCO1 408518519 LUUKTGRGWVKDDH-VIFPVBQESA-N 343.246 2.910 0 50 EFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1F 2886874 SSSCKSDVUCRDDT-UHFFFAOYSA-N 334.734 2.843 0 50 EFAA Cc1cc([C@@H](O)CN(C)Cc2cccc(C(=O)N(C)C)c2)ccc1O 2325771992 JVQZKDZJBSPYOL-IBGZPJMESA-N 342.439 2.568 0 50 EFAA O=C(O)C1(CC(F)F)CCN(Cc2cc(C3CCC3)n[nH]2)CC1 2325773248 AYJPLZJCSJLRAZ-UHFFFAOYSA-N 327.375 2.999 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCc4ccnn4C3)cc2)c1C 2325780149 KTWMEMMRJFNOTB-HNNXBMFYSA-N 335.411 2.887 0 50 EFAA COc1ccc(C(=O)CCC(=O)OC[C@@H]2CCC(=O)O2)c(Cl)c1 2325783962 OEPXTQNHYVONRD-NSHDSACASA-N 340.759 2.560 0 50 EFAA Fc1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c1 33523 YDHJTPHPBFXMRO-UHFFFAOYSA-N 330.344 2.822 0 50 EFAA O=C(c1cccnc1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 69784 SUYMDQIIVHEGDV-FZMZJTMJSA-N 327.306 2.725 0 50 EFAA CCOC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1 194965 SLJYKIPVACSQMU-UHFFFAOYSA-N 337.441 2.832 0 50 EFAA O=C(c1ccco1)N1CCN(C(=O)c2csc3c2CCCC3)CC1 371767 FYKOVONZUPQCAU-UHFFFAOYSA-N 344.436 2.818 0 50 EFAA O=C(NCCc1cn2ccccc2n1)c1ccc([C@@H]2CCCN2)s1 20999093 IVFOCLONOCNUSQ-AWEZNQCLSA-N 340.452 2.793 0 50 EFAA Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C 4592264 GKKPIEREEQRAPE-UHFFFAOYSA-N 331.460 2.667 0 50 EFAA CC(=O)CCc1ccc(OCCn2cnc3ccccc3c2=O)cc1 4868571 HOWYYAKZBMMPFC-UHFFFAOYSA-N 336.391 2.997 0 50 EFAA O=c1c(=N/Nc2ccccc2)/c(=N\Nc2ccccc2)c2ccccc12 100444673 AGNWGNAMWVNYNT-BJSLBONGSA-N 340.386 2.931 0 50 EFAA CCc1oc(C(=O)N[C@@H](C)CCn2cccn2)cc1CN1CCCC1 55383825 QCNPTQUSHVSRDY-HNNXBMFYSA-N 344.459 2.843 0 50 EFAA CCSc1nc(CC(=O)N[C@H](COC)c2ccccn2)cs1 55152976 AMZGUTAFWINFPD-CYBMUJFWSA-N 337.470 2.697 0 50 EFAA COc1ccccc1N1CCN(CC(=O)Nc2ccccc2C)CC1 55555021 ZNNQBVQGRZVAJG-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA CN(C(N)=O)c1ccc(O[C@@H]2CCCN(c3ccccc3)C2=O)cc1 115523072 VKAZIQFTHFYHAB-QGZVFWFLSA-N 339.395 2.776 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1)NC1CCCC1 67514909 BRHXCUIISHDYLP-AWEZNQCLSA-N 341.459 2.627 0 50 EFAA Cc1ccc(-n2nc(CC(C)C)nc2C[C@@H]2CCS(=O)(=O)C2)cc1 65382796 PGGFHZHLANGGIH-HNNXBMFYSA-N 347.484 2.751 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)Nc2c(F)cccc2F)cc1 4105246 XVHCPWBRWJPWRY-UHFFFAOYSA-N 326.324 2.784 0 50 EFAA O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1c1ccc2c(c1)OCO2 67723993 TVNBQFOHDYHKER-DLBZAZTESA-N 329.371 2.905 0 50 EFAA CCSc1ccc(C(=O)Nc2sccc2S(C)(=O)=O)cn1 118688938 ZUUYFXIGKBQKAE-UHFFFAOYSA-N 342.467 2.911 0 50 EFAA Cc1nc(NC(=O)c2cccc(CN(C)Cc3ccoc3)c2)n(C)n1 67908119 OZBRWLIAEKNPDC-UHFFFAOYSA-N 339.399 2.601 0 50 EFAA C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](Cn2cncn2)C1 229476004 CETBDSRBJGTVCF-CHWSQXEVSA-N 344.444 2.863 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1 229518766 LPIQGFVSCZQNMU-HLLBOEOZSA-N 341.455 2.882 0 50 EFAA CC(C)SCCn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O 67605245 PXMNKJXHJRDZDB-OAHLLOKOSA-N 346.500 2.643 0 50 EFAA CC(=O)N[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@H]1C(C)C 77391188 IXGOAIORJCYGRD-PKOBYXMFSA-N 347.478 2.887 0 50 EFAA c1ccc(N2CCOCC2)c(CN2CCC[C@@H](c3ccn[nH]3)C2)c1 121268329 FSDOVCZUWOHAIQ-MRXNPFEDSA-N 326.444 2.626 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)O)C3)cn12 325304464 AQWOMZSMYLMBLS-CYBMUJFWSA-N 329.400 2.606 0 50 EFAA COc1ccccc1/C(C)=C/C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 328594903 FVZKKZQSVJJXAX-ZQHYZAEZSA-N 347.411 2.581 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 356325888 NQJCMKBHZDDOPS-HNNXBMFYSA-N 347.381 2.918 0 50 EFAA CC(C)NC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72135293 SJXXAPMCDTZDEO-KZNAEPCWSA-N 349.425 2.945 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1nccn1Cc1ccccc1 71575848 OVMDJOIHSXKKSU-HXUWFJFHSA-N 339.439 2.993 0 50 EFAA COc1cccnc1C(=O)N1CCCN(CC2CC2)[C@H](C(C)C)C1 71763491 HSCKIMRRQQWHKL-INIZCTEOSA-N 331.460 2.673 0 50 EFAA O=C(c1ncn(-c2ccccc2)n1)N1CCn2c(cc3ccccc32)C1 359412158 DSKXNHCETVQHCZ-UHFFFAOYSA-N 343.390 2.878 0 50 EFAA O=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(C2CCCCC2)CC1 154624061 XNHVFLKUQCYDMW-QGZVFWFLSA-N 341.455 2.589 0 50 EFAA NC(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)nc1 262566097 LKXCMBIPMMQNCY-UHFFFAOYSA-N 348.406 2.682 0 50 EFAA COC(=O)c1cccnc1N1CC[C@H](c2cc(OC)ccc2OC)C1 77472201 QJVCLJMWSNFOEY-ZDUSSCGKSA-N 342.395 2.879 0 50 EFAA CCn1ncnc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 216489893 PEMGMBZKWMQCQT-CMKODMSKSA-N 340.471 2.950 0 50 EFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71661750 BDNFDRPSVSBOBC-CQSZACIVSA-N 344.386 2.705 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ncnn4CCF)C3)nc2c1 240569377 HABUCWHKKSNKDH-CQSZACIVSA-N 342.422 2.812 0 50 EFAA O=C(O)c1cccc(S(=O)(=O)N[C@@H]2CCCOc3ccccc32)c1 371840044 CPSRTVGYGVQEPE-OAHLLOKOSA-N 347.392 2.577 0 50 EFAA CC[C@@]1(O)CCN(C(=O)C2c3ccccc3-c3ccccc32)C[C@H]1O 77520826 IUDHHWRVEPMGCM-WIYYLYMNSA-N 337.419 2.533 0 50 EFAA Cc1nn2c(N3CCC(C(N)=O)CC3)cc(-c3ccccc3)nc2c1C 72475734 DECXOYDANNWLQC-UHFFFAOYSA-N 349.438 2.715 0 50 EFAA CN1CCOc2ccc(NC(=O)[C@H]3CCCN3c3nccs3)cc21 173955200 GULADAJLNGUMPH-CYBMUJFWSA-N 344.440 2.579 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCC(c2nccs2)CC1 239527563 ATBJZMACCCIDHR-UHFFFAOYSA-N 342.346 2.972 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2OC)c1 282314999 CGYHCOMTDLTQSB-FUHWJXTLSA-N 341.407 2.581 0 50 EFAA CCCc1cc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2)nc(C)n1 72134662 GJXMVUFFYSIOTF-GOSISDBHSA-N 338.455 2.993 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(C)c1 82157391 ISEWLDXKYVYRCM-UHFFFAOYSA-N 338.407 2.801 0 50 EFAA O=C(CSc1ccncc1)N1CCC([C@@H](O)c2ccccn2)CC1 220285134 UMWGLNDYLNUNJK-GOSISDBHSA-N 343.452 2.541 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccccc1NCc1ccccn1 426371002 MTCNZXMQOIBZLA-KRWDZBQOSA-N 339.395 2.773 0 50 EFAA O=C([C@H]1CCC[C@H](O)C1)N(Cc1ccc(O)cc1)Cc1cccnc1 223051365 NHUWFJNGBLIOEN-HKUYNNGSSA-N 340.423 2.867 0 50 EFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1n[nH]c(=O)c2ccccc12 176525519 NHPGIUQXXAFUBO-DZGCQCFKSA-N 333.391 2.941 0 50 EFAA Cn1c(CCN)nnc1SCc1cc(F)ccc1C(F)(F)F 426504132 XPCQWKOISWJRGO-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA CC(C)Sc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 224563275 HACGJAIMGKBISE-NSHDSACASA-N 337.426 2.817 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1c(Cl)c(C)nn1C)C2 426387300 OUWZSBHQDWAMOY-UHFFFAOYSA-N 349.818 2.815 0 50 EFAA CSC[C@H]1CCCN(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 426674111 FEQKEUSJLDBXLF-NSHDSACASA-N 336.436 2.987 0 50 EFAA CC(C)c1noc([C@H]2CCCN2C(=O)CN2CCc3ccccc32)n1 91782040 BGAJIXRNCMIMHF-MRXNPFEDSA-N 340.427 2.919 0 50 EFAA C[C@@H](c1cccs1)n1ccnc1-c1cn(C2CCNCC2)nn1 91690306 DNNNXFRROUEFJL-LBPRGKRZSA-N 328.445 2.737 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 238072681 GVTUGCIBAUTPDG-XQQFMLRXSA-N 327.302 2.885 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244741965 NZTISSJYEJVHMM-LNLFQRSKSA-N 349.434 2.535 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1 180569190 MUVZVIAPUDJRGM-HNNXBMFYSA-N 330.428 2.565 0 50 EFAA Cn1c(C(=O)NCCCN2CCCC2=O)c(Cl)c2ccccc21 298658427 BLRJSXKLBJKYLW-UHFFFAOYSA-N 333.819 2.574 0 50 EFAA Cc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)nc(C)n1 299769725 PNGLTVDJKPYZGB-KRWDZBQOSA-N 338.455 2.621 0 50 EFAA CC(C)[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 299773670 FDQNHYJLASYUOT-GOSISDBHSA-N 345.487 2.930 0 50 EFAA Cc1nn(C)cc1NC(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 299774710 HZGONPUGGZRELP-OAHLLOKOSA-N 327.432 2.719 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3noc4ccccc34)[C@H]2C1 299776777 LPLCMYZJBHDOOM-SOVGHPHASA-N 344.411 2.555 0 50 EFAA COC(C)(C)CCNC(=O)N1CC(Oc2cccc(Cl)c2)C1 670447225 GBZZGOGSXVEWTC-UHFFFAOYSA-N 326.824 2.928 0 50 EFAA CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C 270371766 DDUXQLNJPCNYJW-MRXNPFEDSA-N 345.443 2.554 0 50 EFAA CC(C)N1CCN(CCCN2CCOC[C@]2(C)c2ccccc2)CC1 408518859 FYBMSUAFRKMFAZ-OAQYLSRUSA-N 345.531 2.650 0 50 EFAA Cc1ccc(-n2nnnc2NCCN2c3ccccc3C[C@@H]2C)cc1 170597276 JDUCNAJUEBKXQI-HNNXBMFYSA-N 334.427 2.834 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)c3oc(C)nc3C)C2=O)c(C)c1 189934651 OABORAKXQZZAIN-OAHLLOKOSA-N 341.411 2.752 0 50 EFAA CC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Br)C1 191413448 SYBVNCMILMUXES-STQMWFEESA-N 328.206 2.686 0 50 EFAA O=C(Cn1ccc(=O)c2ccccc21)N1CCC(c2ccncc2)CC1 192287768 BPFHSJLSUITAFW-UHFFFAOYSA-N 347.418 2.803 0 50 EFAA Cn1nnc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)n1 193485608 RUHZLOUPTRPOBI-LBPRGKRZSA-N 343.378 2.519 0 50 EFAA CCc1noc(NC(=O)[C@H]2CC(=O)Nc3c(OC)cccc32)c1C 1506409185 VSRHDRYARRMLBZ-NSHDSACASA-N 329.356 2.619 0 50 EFAA CC[C@H](c1cccnc1)N(C)C(=O)c1cc(CC(C)C)nc(O)n1 1506431737 XDTCZLZEIUJVDH-MRXNPFEDSA-N 328.416 2.999 0 50 EFAA CCCC[C@@H]1CN(c2ccc(CNC(C)=O)cn2)C[C@H](C2CC2)O1 1529197326 OTWYZZUPLPNFIF-QZTJIDSGSA-N 331.460 2.892 0 50 EFAA c1cncc([C@H]2c3[nH]cnc3CCN2Cc2nc(-c3ccco3)no2)c1 1529172076 HBURJFSIUPSJJR-KRWDZBQOSA-N 348.366 2.595 0 50 EFAA NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 5094441 PPEYOUGQJGZWNS-RMKNXTFCSA-N 336.800 2.639 0 50 EFAA O=C(CN1CCCCC1)Nc1cccc(I)c1 4990669 POANHIHDLGVYST-UHFFFAOYSA-N 344.196 2.716 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)NCc1[nH]nc2ncccc12 1772807380 UJGCRXMSJAGYSN-UHFFFAOYSA-N 333.351 2.851 0 50 EFAA CSCCCNC(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 11879013 OFIKUDMOZGPNBN-AWEZNQCLSA-N 326.506 2.817 0 50 EFAA Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 12457945 XVUYRRVNSIHMJH-AWEZNQCLSA-N 349.500 2.742 0 50 EFAA Cc1ncsc1CCC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 12718163 FTRMEKSSFXHGFC-CQSZACIVSA-N 349.500 2.824 0 50 EFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCC1CC1)CC2 14733009 JUBOBGSXIBANBE-INIZCTEOSA-N 344.503 2.680 0 50 EFAA Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 15004464 YGUYYEGXFPOIKH-LLVKDONJSA-N 341.383 2.565 0 50 EFAA OCC[C@@H]1CN(C2CCSCC2)CCN1Cc1ccc(F)cc1 19720636 HTDXJHQMXHLLLF-GOSISDBHSA-N 338.492 2.590 0 50 EFAA CCn1cc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)cn1 1857701452 VKCWQJUTVICNJV-UHFFFAOYSA-N 335.455 2.904 0 50 EFAA CCc1ncnc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c1F 1857709516 CAWZGEKAMMFMRA-UKRRQHHQSA-N 337.439 2.713 0 50 EFAA COc1cc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)ccn1 1857730060 XPHHTENGKHIWLH-OAHLLOKOSA-N 329.400 2.854 0 50 EFAA C[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1cccc(O)c1 112457671 KWLMJZXPPPJION-LBPRGKRZSA-N 345.365 2.733 0 50 EFAA O=C(O)c1cccc(CNC(=O)N2CCCN(C3CCCC3)CC2)c1 635526424 RCDHDCFSVURLRY-UHFFFAOYSA-N 345.443 2.545 0 50 EFAA CCOC(=O)N1CCC(N[C@H](c2ccccc2)c2ncc[nH]2)CC1 125714641 XFZYDLWMUUJGJL-MRXNPFEDSA-N 328.416 2.710 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 238017574 MIUMUBSZSTYSCS-CQSZACIVSA-N 327.384 2.589 0 50 EFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1cscc1C)CC2 239619598 BFQHSPGQNZNKMP-GJZGRUSLSA-N 338.473 2.518 0 50 EFAA COc1cc(OC)c(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1Cl 247899789 VTBLBDPMMMBALF-OLZOCXBDSA-N 339.819 2.900 0 50 EFAA Cn1ccc(CCNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)n1 680630497 OFGUSMQELGIARE-OAHLLOKOSA-N 348.834 2.829 0 50 EFAA CCc1cnccc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 373256712 RHZVITBNTIDYAX-HNNXBMFYSA-N 325.412 2.613 0 50 EFAA NC(=O)c1ccc(N2CCC[C@@H](COc3ccccc3Cl)C2)nn1 158252278 WIZDKHSVWFOBBU-GFCCVEGCSA-N 346.818 2.524 0 50 EFAA O=C(O)COc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1Cl 263252974 HSWGFZAREZVVCB-NSHDSACASA-N 327.764 2.701 0 50 EFAA CCCN(C)CC(C)(C)NC(=O)c1cnc(Br)n1CC 912718822 CGKAPVWPJUVAJZ-UHFFFAOYSA-N 345.285 2.516 0 50 EFAA CC(C)OC[C@H]1CN(Cc2sncc2Br)CCO1 952881823 JWXIXPCILCUWEO-SNVBAGLBSA-N 335.267 2.531 0 50 EFAA CC(C)c1nccn1CCNS(=O)(=O)C[C@@H]1CCCC(F)(F)C1 1875271101 SGQBNBWIAJOGCG-CYBMUJFWSA-N 349.447 2.751 0 50 EFAA Cc1nc(CN2CCCN(C[C@@H](O)c3cccc(F)c3)CC2)oc1C 1875256193 AZGQEQIGUYYAOK-GOSISDBHSA-N 347.434 2.672 0 50 EFAA Cc1cc(-c2ccc(C(=O)N3CCNCC3)cc2)cc2cn(C)nc12 1875302523 UIWYLLIXMOLPQN-UHFFFAOYSA-N 334.423 2.594 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(O)cc2COC)cc1 1875374082 ZTHURPRWHOMNED-UHFFFAOYSA-N 340.379 2.940 0 50 EFAA CN(CC1CCC(F)(F)CC1)C(=O)c1cn(-c2ncccn2)cn1 1875329833 FTKFZUYWPRZHDN-UHFFFAOYSA-N 335.358 2.560 0 50 EFAA CC(C)c1ccccc1OC[C@@H](O)CN=c1nc(C(C)(C)C)o[nH]1 1875354476 XASWKUSVROKUGQ-ZDUSSCGKSA-N 333.432 2.764 0 50 EFAA CC(C)[C@H](NC(=O)c1cnn2cccc(Cl)c12)c1cnn(C)c1 885414881 HFFMEBLAPKLJEA-AWEZNQCLSA-N 331.807 2.848 0 50 EFAA O=C1CCc2cc(C(=O)Nc3cnn(C4CCC4)c3)c(F)cc2N1 889059833 JEAWQKIMUWRYDK-UHFFFAOYSA-N 328.347 2.884 0 50 EFAA O=C(NC[C@]12CCC[C@H]1OCC2)c1cc(F)ccc1-n1ccnc1 1776007604 ONJRHLOCZROESE-SJLPKXTDSA-N 329.375 2.700 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C(=O)O)c1 263350193 PGYNCHJOLZMBLB-KDOFPFPSSA-N 338.407 2.635 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)[nH]1 2325757655 DQBHYGJQSBTKHP-CQSZACIVSA-N 326.400 2.517 0 50 EFAA C[C@]1(NC(=O)c2c(C(F)F)nc3cnccn23)CCC(F)(F)C1 2325766865 XATNMVNIVDGTEL-ZDUSSCGKSA-N 330.285 2.975 0 50 EFAA C[C@H](NCc1cc2n(n1)CCCO2)c1ccc(-n2cccn2)c(F)c1 2325777731 YXACUCZSCKAVCE-ZDUSSCGKSA-N 341.390 2.841 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)C(F)(F)C[C@@H]1CCCO1 2325792499 JGMXLVZRVQILGT-HOTGVXAUSA-N 349.381 2.945 0 50 EFAA NCC1CC(C(=O)Nc2c(O)cc(Br)cc2Cl)C1 2325795539 LIXNQWAPBULIPA-UHFFFAOYSA-N 333.613 2.732 0 50 EFAA COCCOc1ncccc1C(=O)Nc1ccc2n[nH]cc2c1Cl 2325861243 KJDUOTIACRCNGG-UHFFFAOYSA-N 346.774 2.889 0 50 EFAA COC(=O)c1ccc(C(=O)N(C)Cc2ccc3cnccc3c2)cn1 2325870967 XDDHSQUHMSSMFW-UHFFFAOYSA-N 335.363 2.689 0 50 EFAA O=C(NC1CC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1 110573676 UYRJEXVNVGWNIP-COXVUDFISA-N 330.403 2.878 0 50 EFAA C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1nnnn1-c1ccccc1 126331572 VPGGKBPIWYRYSY-SNVBAGLBSA-N 337.309 2.594 0 50 EFAA O=S(=O)(Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 562958 WQCBLIFJWOQPCI-UHFFFAOYSA-N 327.308 2.537 0 50 EFAA Cn1c[n+](Cc2ccccc2)c2c(O)nc(Nc3ccccc3)nc21 1233362 VLYOCPPNYKLMQQ-UHFFFAOYSA-O 332.387 2.753 0 50 EFAA CCOC(=O)C(=CNc1cc(OC)cc2cccnc12)C(=O)OCC 1581046 IMEIAPVMAHLKAG-UHFFFAOYSA-N 344.367 2.665 0 50 EFAA O=C(c1noc2c1CCCCC2)N1CCN(c2ccccc2)CC1 2465826 IMXFOMYOWQXPCU-UHFFFAOYSA-N 325.412 2.906 0 50 EFAA CCCn1ncc(CN2CCC[C@]23CCCN(C2CC2)C3=O)c1C 2356166770 MUPSWWBMDWCYML-LJQANCHMSA-N 330.476 2.721 0 50 EFAA CCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 4855513 TVONBBXAPRXBQQ-UHFFFAOYSA-N 332.425 2.904 0 50 EFAA CCOC(=O)c1sc(NS(=O)(=O)Cc2ccccc2)nc1C 4914088 XSFHYGACNZRNQL-UHFFFAOYSA-N 340.426 2.570 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc1 6725585 NJQCPDAOZOUKIB-INCPQMAJSA-N 330.384 2.721 0 50 EFAA CCc1nn(C)cc1CNC(=O)[C@@](O)(CC)c1cccc(Cl)c1 225735982 DINZOYDUYHHHAA-QGZVFWFLSA-N 335.835 2.550 0 50 EFAA Cc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)cc1 55119155 AECLDOLSXLWHKL-UHFFFAOYSA-N 349.500 2.883 0 50 EFAA CC(C)CN1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO 20256519 XKPUAWCCNGPEGB-IBGZPJMESA-N 327.472 2.759 0 50 EFAA CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101449425 CWRVTBXPXRGAHL-SDADXPQNSA-N 343.379 2.713 0 50 EFAA O=C(NCc1ccc(Cl)s1)[C@H]1CC(=O)N(C2CCCC2)C1 25522476 FAMURUXXCUARIP-JTQLQIEISA-N 326.849 2.809 0 50 EFAA CC[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1nc(C)c(C)s1 67821358 NTGCDIVMJDNQFM-LBPRGKRZSA-N 342.424 2.878 0 50 EFAA CCc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65363490 IKPQZCSSPDOEOU-UHFFFAOYSA-N 332.425 2.897 0 50 EFAA O=C1C[C@H](c2nc3c(s2)CCCC3)c2c(nc3sccn23)CN1 65387980 PFPAKVGXCLRSLQ-VIFPVBQESA-N 344.465 2.883 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc2c3c([nH]c12)CCCC3 67850540 RKNFQGUPQMKKJD-LBPRGKRZSA-N 327.428 2.643 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1S(N)(=O)=O 118552350 LQGPBRSNRMEBAG-ZDUSSCGKSA-N 349.412 2.604 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N(C)C[C@H](O)c1cccnc1 1363896836 ZMBYWJHKOBMGMB-JKSUJKDBSA-N 332.375 2.570 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ncc[nH]3)cc2)o1 67756445 GXBRRDOMCCJRBL-UHFFFAOYSA-N 338.367 2.836 0 50 EFAA Cc1nnnn1-c1ccc(CC(=O)N[C@H](C)C2=CCCCC2)cc1 67788380 MOEGLOIATCDOHA-CYBMUJFWSA-N 325.416 2.518 0 50 EFAA CC(=O)NCCC1=CCN(CCc2nc3ccc(C)cc3[nH]2)CC1 67947994 ILFDGGTUIVDHHK-UHFFFAOYSA-N 326.444 2.572 0 50 EFAA O=C1[C@H](N2CCC[C@@H](c3ccn[nH]3)C2)CCN1c1ccccc1F 229660807 YXQMMDOJPJXXFA-CXAGYDPISA-N 328.391 2.534 0 50 EFAA CC[C@@]1(CO)CCCN1C(=O)CCc1cccc(OC(F)F)c1 424804051 ORBODWZUNGVHPV-KRWDZBQOSA-N 327.371 2.984 0 50 EFAA Cc1cc(C(=O)NCCN2CCCCC2)nn1-c1c(F)cccc1F 252548796 QLNBBWOPOUVPMT-UHFFFAOYSA-N 348.397 2.675 0 50 EFAA C[S@](=O)C1(CNCc2ccc(F)c(Br)c2)CCC1 280726562 VLKMPFORWHTRKV-SFHVURJKSA-N 334.254 2.979 0 50 EFAA Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 68611 XUOOWKOOBBLBRU-UONOGXRCSA-N 346.814 2.841 0 50 EFAA Cc1noc([C@@H](C)N(C)Cc2ccc(OCCn3ccnc3)cc2)n1 215047566 JXOOYPZTLJXNNA-CQSZACIVSA-N 341.415 2.847 0 50 EFAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2nncn2-c2ccccc2)C1 253394401 JQASUGPXOWJNTF-QZTJIDSGSA-N 338.386 2.714 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3snnc3C)C2)c1 77354098 RHMZMWPWRRLORZ-CYBMUJFWSA-N 347.440 2.786 0 50 EFAA Cn1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1=O 355618816 PKPXRVNOCGTRQW-UHFFFAOYSA-N 335.363 2.612 0 50 EFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(-c2ccccc2)ns1 124975682 RYIJIGLNTUXDSJ-NSHDSACASA-N 336.438 2.573 0 50 EFAA CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(OC)CCOCC1 253415240 MXFKMGADKXZKRP-OAHLLOKOSA-N 325.836 2.973 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 153922127 CWHOEDYZWWUMRT-HOTGVXAUSA-N 344.463 2.528 0 50 EFAA Oc1nc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc2ccccc12 375033298 VYMUOSDYMQEJDC-SFHVURJKSA-N 325.343 2.572 0 50 EFAA CCc1ocnc1C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 331453745 PCZAHIPYTJSGNY-QGZVFWFLSA-N 334.803 2.710 0 50 EFAA CC(C)Cc1nc(CN(C)c2nc(C(C)C)nc3c2cnn3C)no1 72148792 VQZJYJZTRAJHED-UHFFFAOYSA-N 343.435 2.705 0 50 EFAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@H](Cn2ccnc2)C1 77342603 FNHCCZZQHNDRPJ-CYBMUJFWSA-N 341.440 2.887 0 50 EFAA COc1cccc(OC)c1C(=O)N[C@H]1CC(=O)Nc2ccccc21 219684811 YQSYMOJADMNQAE-ZDUSSCGKSA-N 326.352 2.517 0 50 EFAA CC(C)C[C@@H](NC(=O)c1cc2ccccc2n1C)c1ncnn1C 219988466 QAXCCPWYOQZEPH-CQSZACIVSA-N 325.416 2.824 0 50 EFAA O=c1cc(N2CC[C@H](O)c3ccccc3C2)cnn1Cc1ccccc1 374927230 LZTLPPYNXXKGIZ-FQEVSTJZSA-N 347.418 2.735 0 50 EFAA CCCOc1ccc(Cl)cc1CNC(=O)CCc1nncn1C 214996478 GYGHOKIMRUDENO-UHFFFAOYSA-N 336.823 2.506 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)C1 378094959 PIPDFSSAMQSZGL-IEBWSBKVSA-N 345.487 2.747 0 50 EFAA CC(C)[C@H](NC(=O)N[C@H]1C(=O)NCC[C@H]1C)c1ccc(Cl)cc1 282347241 MPUOVSWTMLRURR-BYCMXARLSA-N 337.851 2.861 0 50 EFAA CC[C@](CNC(=O)c1noc2c1CCCC2)(C(=O)O)c1ccccc1 263005523 NDSWEWBRQZMEBQ-LJQANCHMSA-N 342.395 2.716 0 50 EFAA COCc1cccc(CN[C@H](c2nccn2C)C2CCOCC2)c1 284846893 XEWNQFCPCZLJNQ-SFHVURJKSA-N 329.444 2.824 0 50 EFAA CCC1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1 17067082 YEEVPGGUVBHDMU-UHFFFAOYSA-N 327.446 2.951 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(N2CCCC2)ccn1 263478629 ZXAQUHCCNCYTMR-AWEZNQCLSA-N 331.416 2.541 0 50 EFAA COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c2cccnc12 229960625 LMQGYMNSWIERCJ-KGLIPLIRSA-N 340.427 2.944 0 50 EFAA Cc1noc(-c2ccccc2C(=O)N2CCc3ccc(O)cc3C2)n1 225486144 PDCXLNJYJFSZFQ-UHFFFAOYSA-N 335.363 2.949 0 50 EFAA CN1CCCC[C@@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 426726710 GCFHCPVPGPASOI-HXUWFJFHSA-N 343.515 2.857 0 50 EFAA O=c1c2ccccc2ncn1CCN1CCS[C@H]2CCCC[C@@H]21 177196162 USECPJFLHMONOD-IRXDYDNUSA-N 329.469 2.757 0 50 EFAA Nc1nc(CCC(=O)NCc2ccccc2C(F)(F)F)cs1 97819646 AZINGAWXPHKTGW-UHFFFAOYSA-N 329.347 2.993 0 50 EFAA CC[C@H](C(=O)NCc1cc(-c2ccc(OC)cc2)on1)n1cccn1 91932855 FZKFNBGOTOJJFT-MRXNPFEDSA-N 340.383 2.814 0 50 EFAA Cc1cc(C)c2c(NC[C@@H](O)COC3CCCCC3)ncnc2n1 95361936 UKEZMWWBGIEBKB-CQSZACIVSA-N 330.432 2.764 0 50 EFAA O=C(C1CCOCC1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 293422746 RRMWKGLGMQPEAM-UHFFFAOYSA-N 342.483 2.928 0 50 EFAA CCn1nc(C(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)cc1C 91574289 TXJVQGNSXKVLOU-INIZCTEOSA-N 326.444 2.810 0 50 EFAA Cc1cn2c(=O)c(C(=O)Nc3cc(Cl)cc(C)c3O)cnc2s1 180241849 OWJLCEZKRYPZRP-UHFFFAOYSA-N 349.799 2.984 0 50 EFAA CC1=C(c2ccccc2)[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 92077619 PPCIQLHGIRARCA-FQEVSTJZSA-N 340.467 2.661 0 50 EFAA COc1c(F)cc(F)cc1[C@@H](C(=O)O)N(C)Cc1c(C)n[nH]c1C 95380170 OCSSVNZDLSKGJF-AWEZNQCLSA-N 339.342 2.571 0 50 EFAA Cc1csc(N2CCN(C(=O)c3cc(O)nc(C(C)C)c3)CC2)n1 180775586 LATMVTSKQRHANR-UHFFFAOYSA-N 346.456 2.638 0 50 EFAA Cc1ccccc1N1C(=O)[C@H]2[C@H]3CC(=O)[C@@H](c4ccccc43)[C@H]2C1=O 248108359 MJNGQQGXBHYKAI-KLIQENQMSA-N 331.371 2.954 0 50 EFAA COc1ccc(OC)c([C@@H](C)NCc2nnc(C3CCC3)n2C)c1 181668732 SJDBRFMQFKMUEV-GFCCVEGCSA-N 330.432 2.951 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(OC(F)F)cc1 244817014 SSVZRCIOPRTKTF-XEZPLFJOSA-N 348.349 2.925 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H]1Cn1ccnc1 184547716 BNAVDMMHUWNDGA-OAHLLOKOSA-N 343.435 2.676 0 50 EFAA CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(Br)cnc12 223716610 NRDIATHVZKNMSB-UHFFFAOYSA-N 341.205 2.820 0 50 EFAA Cc1n[nH]c(C)c1CCN1CCN([C@@H]2CCc3ccccc3C2)CC1 299760145 SBBCBMGWDGDZFV-HXUWFJFHSA-N 338.499 2.744 0 50 EFAA C[C@@H](Cc1cncs1)NC(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 299759774 PCYUFVGKPGJGFN-MEDUHNTESA-N 347.415 2.717 0 50 EFAA CN(C(=O)CCCn1cnc2ccccc2c1=O)C1CCSCC1 299765359 AGTLEYGIMRMAEZ-UHFFFAOYSA-N 345.468 2.531 0 50 EFAA C[C@@H](O)[C@H](N)c1nc(COc2cccc(Cl)c2)nn1C(C)(C)C 825059368 GCZUQJLJXFONCQ-YGRLFVJLSA-N 338.839 2.646 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1C 584900457 CVQPRVZBCZMOBC-SFHVURJKSA-N 337.427 2.598 0 50 EFAA CCc1csc(CNC(=O)Cn2ccnc2-c2ccccc2)n1 823542602 KRCFPNFGOJYHDW-UHFFFAOYSA-N 326.425 2.885 0 50 EFAA COc1cccc2c1OC[C@H](NC1CCN(Cc3ccco3)CC1)C2 584892473 ZAKWDKWGAHJVJY-QGZVFWFLSA-N 342.439 2.846 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NCCCCN1CCCCCC1 827627155 KCDQBWPMFAPXFM-SFHVURJKSA-N 348.487 2.507 0 50 EFAA C[C@H](NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1 1412708027 RVIOUDQJZZGZRC-LURJTMIESA-N 330.335 2.865 0 50 EFAA CCSc1nc(C)c([C@H](CC)C(=O)NC[C@H](O)C2CC2)s1 1417668956 MATYCSOUQXZPEZ-RYUDHWBXSA-N 328.503 2.944 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C1CCN(c2ccccc2F)CC1 952870382 YQNFZOJOVVXCFE-GOSISDBHSA-N 349.494 2.837 0 50 EFAA C[C@@H](NC(=O)CCN1CCCCCC1=O)c1nc2c(s1)CCCC2 952973422 SYRLCLSKFALHFY-CYBMUJFWSA-N 349.500 2.992 0 50 EFAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CC[C@@H](Oc2ccccn2)C1 268669246 ATCHOTPQCZQGFO-ZBFHGGJFSA-N 344.798 2.718 0 50 EFAA CCOC[C@H]1CCN(C(=O)Nc2ccncc2Br)C1 271147748 DLJCKVCSKVSYPY-JTQLQIEISA-N 328.210 2.734 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2ccncc2F)CC1 275497976 AIQOYOBBNVIMRA-INIZCTEOSA-N 342.418 2.742 0 50 EFAA CC[C@]1(C)CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCO1 170604085 VTIVXTSNROAGPB-GOSISDBHSA-N 337.439 2.598 0 50 EFAA C[C@@H]1CN(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C[C@@H](C)O1 170600352 POAYPBUCCDGHLD-KFWWJZLASA-N 338.473 2.958 0 50 EFAA COC[C@@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccccc1 187702834 AWSIZIZZJOATEE-QZTJIDSGSA-N 332.444 2.975 0 50 EFAA COc1cccc([C@H](CNC(=O)C2C[C@@H]3C[C@H]3C2)N2CCCC2)c1 665385987 MZDPFSNSRGUXNM-BXWFABGCSA-N 328.456 2.994 0 50 EFAA CCc1cc2c(NCc3nc([C@H]4CCOC4)n[nH]3)nc(C)nc2s1 641664505 IQDPPELJZITPHI-JTQLQIEISA-N 344.444 2.796 0 50 EFAA COc1ccc2nc(C3CC3)cc(C(=O)N3Cc4c[nH]nc4C3)c2c1 646348581 CHAYOCWMPSIWNK-UHFFFAOYSA-N 334.379 3.000 0 50 EFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCCC(=O)N1 193757201 KRBOBDDSAQSVRY-LLVKDONJSA-N 343.349 2.769 0 50 EFAA CCc1ccnc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)c1 678730517 ZECHJUHUNPRRDX-UHFFFAOYSA-N 340.423 2.902 0 50 EFAA O=C(c1ccc(Cl)s1)N1CCC[C@H](c2nnc3n2CCC3)C1 194286731 RBDGVHQVXQBRFL-JTQLQIEISA-N 336.848 2.959 0 50 EFAA CC1([C@@H]2CCCN(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)OCCO1 195559770 XGGGCGMGKOGHGU-NRSFXHEJSA-N 342.439 2.509 0 50 EFAA O=C(NCc1c(C(=O)O)oc2ccccc12)c1ccc2c(c1)OCO2 738502210 GNJFYAWIDBGCJB-UHFFFAOYSA-N 339.303 2.790 0 50 EFAA CNC(=O)[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)cccc1C)C(C)C 660934722 FOOIHBIFIGFCRW-WBVHZDCISA-N 331.460 2.921 0 50 EFAA CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C)oc2C)C1 780028564 WNEWJCJKHQLXOM-QGZVFWFLSA-N 333.457 2.899 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)CCCn3cncn3)s2)cc1 1529180612 MGMDMUSIEFHPNM-UHFFFAOYSA-N 328.401 2.524 0 50 EFAA Cc1noc(C)c1CN1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 1704343032 HZJBDYHHGOGZCG-IBGZPJMESA-N 341.459 2.627 0 50 EFAA O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1cccc(Cl)c1 11879146 STNZCYCLNRNMMV-SFHVURJKSA-N 336.863 2.583 0 50 EFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OCO2 17016802 MQFJEMMHIQZFHV-HNNXBMFYSA-N 342.376 2.857 0 50 EFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(CCn3cc(Cl)cn3)CC2)O1 1857673314 NMSHKAISHHWTSK-HZPDHXFCSA-N 341.883 2.567 0 50 EFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CSc1cccc(OC)c1 1857675941 IDPJPWQOJQUIGE-XCRHUMRWSA-N 335.469 2.939 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1cccc2c1CCC2=O 1857678823 SIPGHVZILQDEOX-UHFFFAOYSA-N 333.391 2.937 0 50 EFAA Cc1nc(N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c2ccsc2n1 1857720985 TWAPIGRKLTTYTR-KCQAQPDRSA-N 330.457 2.663 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3noc(CC(C)C)n3)C[C@H]12 1857733803 ZJGAXUGYCQFYMP-XSWJXKHESA-N 347.459 2.701 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)n1 124308636 VIAJWBKFKKAMNS-UWVGGRQHSA-N 338.335 2.539 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN3C3CCCC3)cc12 676630059 RHJLEWSXHYCXOB-MRXNPFEDSA-N 327.432 2.622 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 365565938 CLYSMIJNUSBUJE-NSHDSACASA-N 338.333 2.854 0 50 EFAA Cc1n[nH]c(C)c1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 154745043 MLGCGIZMTKONHU-UHFFFAOYSA-N 344.434 2.694 0 50 EFAA O=C(NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC1(F)F 873582299 ANJKILTYINEVDK-VIFPVBQESA-N 344.166 2.595 0 50 EFAA COc1ccc(F)cc1CN1CCC[C@@H]1c1ncc(C(=O)O)cn1 1875282975 ZWOYUYRMYIOCKA-CQSZACIVSA-N 331.347 2.660 0 50 EFAA Cc1nccn1CCCC(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 1875274409 IIBBJDCGJBAWSV-QGZVFWFLSA-N 346.862 2.798 0 50 EFAA CO[C@@H](C)c1cn(-c2cccc(CNC(=O)C3=CCCC3)c2)nn1 1875323679 PEFXPJPCCRTGSE-ZDUSSCGKSA-N 326.400 2.701 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 888077844 YNPNCCJGFVHRFV-IUODEOHRSA-N 328.347 2.632 0 50 EFAA C[C@@H]1CN(c2cc(Cl)ccc2Cl)CCN1C[C@@H]1CNC(=O)C1 888096918 SAFQYQLLTFOTDO-NEPJUHHUSA-N 342.270 2.640 0 50 EFAA CCN(C)c1ccccc1CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O 892875838 ZUHZBYMQBGYYNW-IEBWSBKVSA-N 339.439 2.600 0 50 EFAA Cc1nc(CNc2cccc(S(=O)(=O)NC3CC3)c2)sc1C 893637367 ZDCAQWKOGDFQRG-UHFFFAOYSA-N 337.470 2.813 0 50 EFAA O=C(N[C@H]1CCC12CCC2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 2325783207 CQBRICRNEIYSPU-OLZOCXBDSA-N 334.851 2.795 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NC[C@H]2[C@H]3c4ccccc4CC[C@H]32)c1 2325784735 GRSUXOTZPZVRLE-LESCRADOSA-N 338.382 2.630 0 50 EFAA CC(C)(C)n1nc(C(=O)NC[C@H]2CNC3(CCC3)C2)cc1C1CC1 2325788879 OHZOMRJYPFXWJP-ZDUSSCGKSA-N 330.476 2.778 0 50 EFAA C[C@]1(NCc2nc3ccc(Br)cc3o2)CCC[C@@H]1O 2325798764 YOOVAGFBUQRBJA-JSGCOSHPSA-N 325.206 2.983 0 50 EFAA CC(C)[C@@H](C(=O)O)N(Cc1ccccn1)C(=O)[C@@H]1CC1(Cl)Cl 2325812847 LWYNGWXPNYAZBR-RYUDHWBXSA-N 345.226 2.713 0 50 EFAA CCOC(=O)[C@@H]1CCCn2c1nc1sc3c(c1c2=O)CCCC3 126473 YPKAKLVINSHOEK-LLVKDONJSA-N 332.425 2.777 0 50 EFAA COc1cccc2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)oc12 416425 CAMMXLHBOUBPKM-UHFFFAOYSA-N 339.303 2.783 0 50 EFAA CC[C@]1(CCC(C)C)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O 436972 ZXCQNSJGVZQDCJ-SFHVURJKSA-N 348.374 2.877 0 50 EFAA COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 1461166 XHCHOEQGZFTTPB-NSHDSACASA-N 327.336 2.907 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(Cc3nn[nH]c3-c3ccccc3)C[C@H]21 2356159076 KMIUSLSBMNJSGQ-FCEWJHQRSA-N 326.444 2.845 0 50 EFAA Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(C)c2ccc(Cl)cc21 4556202 LIGFQBAGJKILCI-KRWDZBQOSA-N 333.771 2.987 0 50 EFAA C[C@H](Oc1ccc(Br)cc1Cl)C(=O)N1CCOCC1 4805645 JGUOXLVKLXTKSH-VIFPVBQESA-N 348.624 2.729 0 50 EFAA Cn1cnnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 6742054 LOUYIJCWALVXCJ-UHFFFAOYSA-N 332.410 2.960 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2C)cc1 10333830 JYYARHIODDQJQI-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA CN1CCC(CC(=O)NCc2ccccc2OC(F)(F)F)CC1 225578694 KECRREWQCXXQHC-UHFFFAOYSA-N 330.350 2.933 0 50 EFAA Fc1ccc(-c2cn(C[C@@H]3CCCN(Cc4ncc[nH]4)C3)nn2)cc1 20820244 ZVGWWJHDBZTMIZ-CQSZACIVSA-N 340.406 2.720 0 50 EFAA COc1ccc(CCNC(=O)CCN2CCCCCCC2)cc1O 55386328 SKKXDFLLZPRMAN-UHFFFAOYSA-N 334.460 2.716 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccncc2)C1 343933849 AZBIITFHMPBINJ-LBPRGKRZSA-N 338.333 2.854 0 50 EFAA Cc1cc(N2CC(n3nc(C)cc3C)C2)nc(N2CCCCC2)n1 65393577 WHHYEKYMJQPFSH-UHFFFAOYSA-N 326.448 2.650 0 50 EFAA CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]1c1c(C)nn(C)c1C 248021015 HUNIPRDFFLNDEM-CABCVRRESA-N 345.447 2.888 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)c1ccccc1N1CCOCC1 65406714 GZSDPSBTVCBCFR-CYBMUJFWSA-N 331.441 2.813 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C)cc(F)c2)C1 347955147 VNIJHRILOREZDR-ZIAGYGMSSA-N 346.324 2.806 0 50 EFAA Cn1nccc1[C@@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1 1364321291 JAOOVIBVRYJRQA-SECBINFHSA-N 331.367 2.670 0 50 EFAA CCn1c([C@@H]2CCCN(Cc3cc4ccccc4o3)C2)nn(C)c1=O 67974638 AEUTVOIGTWBCFV-OAHLLOKOSA-N 340.427 2.728 0 50 EFAA CC(C)Cc1nnc(NC(=O)c2cn(C)c(=O)c3ccccc23)s1 61718300 BBXCMQGBMYDPPZ-UHFFFAOYSA-N 342.424 2.841 0 50 EFAA C[C@H](c1ccccn1)N1CCN(CCCO[C@H]2CCCCO2)CC1 253392745 UZCQCFUJKQZDJS-MJGOQNOKSA-N 333.476 2.694 0 50 EFAA CC[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 252517118 ADMZSHPAHOOOQB-BHIYHBOVSA-N 330.472 2.628 0 50 EFAA Cn1nccc1CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 253396824 OSKSUQFUUGHJKT-HZPDHXFCSA-N 339.361 2.789 0 50 EFAA Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 2779251 NQQGHKGSVYVXST-UHFFFAOYSA-N 346.387 2.575 0 50 EFAA CCn1cc(Cl)c(C(=O)NC(=S)Nc2ccc(OC)cc2)n1 2797361 UHSRAUYRFLZPDG-UHFFFAOYSA-N 338.820 2.692 0 50 EFAA Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2O)cc1 12336385 AOOKFOWJLVWRFH-UHFFFAOYSA-N 326.377 2.990 0 50 EFAA CCOC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 4110158 FIECLVSDPSGDDY-UHFFFAOYSA-N 338.414 2.837 0 50 EFAA CCn1cc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cn1 253416160 DPMITNLQWYUWOE-UHFFFAOYSA-N 346.456 2.514 0 50 EFAA CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 150714270 YQZYRONHANOVTN-HEHGZKQESA-N 334.441 2.989 0 50 EFAA CC[C@@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCO1 123516083 VRQLQLJIFAMMOD-NVXWUHKLSA-N 346.406 2.768 0 50 EFAA C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)O1 329853363 VKSDOCVRGOBKRX-BPQIPLTHSA-N 345.439 2.835 0 50 EFAA Cn1nccc1S(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 331724860 MJGSVAPYGVOKAY-LLVKDONJSA-N 346.239 2.693 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]1CC1CCCCC1)[C@H]1CN(C)CCO1 239352761 ADLQUZPMHTXOAQ-RYQLBKOJSA-N 337.508 2.850 0 50 EFAA Cc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(=O)n1C 215852663 MDQBEFXVIRGUJW-UHFFFAOYSA-N 335.407 2.980 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1 365820353 MVGCCMHDJPEPPA-SFHVURJKSA-N 338.407 2.523 0 50 EFAA COc1c(C)cc([C@@H](C)NCc2nnc3n2CCOC3)cc1Cl 367595367 NNLYLBCQRVUKMI-LLVKDONJSA-N 336.823 2.630 0 50 EFAA CCc1cc(-c2cccc(O[C@H](C)C(N)=O)c2)nc(N2CCCC2)n1 32581869 ZNUGSSDAJCRKJD-CYBMUJFWSA-N 340.427 2.559 0 50 EFAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](CCC(=O)O)C1 236834424 OGMRIQYUDPGHIH-NSHDSACASA-N 341.839 2.914 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C1 261717412 DVDAGRLFDLBSDO-CYBMUJFWSA-N 331.393 2.874 0 50 EFAA O=C(CCCn1cccc1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376155989 FJRRMVLTXVEHIP-MOPGFXCFSA-N 326.440 2.893 0 50 EFAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)/C=C/c2ccccc2)CC1 493399688 IHVLXOCHBQJIME-BQYQJAHWSA-N 339.395 2.767 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 338923275 WYDQLQBIIOXUJS-MRXNPFEDSA-N 343.408 2.805 0 50 EFAA Cc1oc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc1C(=O)O 262918414 DQLNWMHRJGQCGA-INIZCTEOSA-N 329.352 2.607 0 50 EFAA Cc1ccnc(Oc2cc(NC(=O)[C@@H]3CCC(=O)N3)ccc2C)c1 172827908 KNKOPHZOXXOXJD-AWEZNQCLSA-N 325.368 2.708 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 284556441 LVQAXLSUBWMXMG-NFAWXSAZSA-N 330.350 2.857 0 50 EFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc2nc(C)ccc2o1 285015718 TWCPSYJSLFYKON-ZDUSSCGKSA-N 329.400 2.657 0 50 EFAA O=C(O)C1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 178175514 ZYRSBGVXSHFZEY-UHFFFAOYSA-N 326.352 2.811 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cn2ccsc2n1 82147040 BTCNZPBLUJEEPY-LLVKDONJSA-N 331.445 2.556 0 50 EFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1NCC(F)F 497316559 UEXXNLKQIOFQJW-YNEHKIRRSA-N 334.407 2.646 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)n1 175810086 CYMMRPSQMSZUFO-BZUAXINKSA-N 327.428 2.613 0 50 EFAA CC(C)[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccnc1 175910296 TXEVHFBGDZVIMB-GBESFXJTSA-N 339.439 2.779 0 50 EFAA O=C(Cc1ccc(F)c(F)c1)N1CCCN(Cc2ccncc2)CC1 221208333 RLQMDFALVOWKIG-UHFFFAOYSA-N 345.393 2.637 0 50 EFAA O=S(=O)(Nc1ccc2[nH]nnc2c1)c1cc(F)ccc1Cl 176529619 OWIQVNTYTCHYDY-UHFFFAOYSA-N 326.740 2.551 0 50 EFAA NC1CC(c2cc(N3CCN(C4CCCC4)CC3)nc(C3CC3)n2)C1 223874050 VWQUBNMXHBMRQV-UHFFFAOYSA-N 341.503 2.623 0 50 EFAA COc1cc(OC)c(C(=O)NCc2cc(C(C)(C)C)n[nH]2)cc1OC 220127350 HZJUOPHMBVEPHT-UHFFFAOYSA-N 347.415 2.663 0 50 EFAA CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1-c1c(F)cccc1F 178453189 QQUYJWVPKGRNPZ-NSHDSACASA-N 335.354 2.996 0 50 EFAA CCc1nn(C)c(NC(=O)NC[C@@H]2OCCc3ccccc32)c1C 95508186 HVGNAKYAYGCFSG-INIZCTEOSA-N 328.416 2.726 0 50 EFAA Cc1cn2c(=O)cc(CN3C[C@H](c4ccccc4)CC3=O)nc2s1 95526526 KHZPEJTZLWGZJM-CQSZACIVSA-N 339.420 2.581 0 50 EFAA CC(C)c1n[nH]c2c1CN(C(=O)Nc1ccc3c(c1)COC3=O)CC2 95509661 XTBJJXWKJPZTII-UHFFFAOYSA-N 340.383 2.794 0 50 EFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)[C@@H]1CCCCCN1C 91746223 KZDXHCNEVURUDG-SFHVURJKSA-N 326.444 2.910 0 50 EFAA O=C(NC1CC1)c1cccnc1N1CCc2[nH]nc(C3CCC3)c2C1 23232170 XCFWPNMGYRAWPR-UHFFFAOYSA-N 337.427 2.527 0 50 EFAA C[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 91461656 VQCAFXVLSZDOIB-SECBINFHSA-N 343.387 2.622 0 50 EFAA Cc1cc([C@H]2CCCCN2C(=O)C2CCN(C(=O)C3CC3)CC2)no1 95378175 OMRUAYAQFVKIDX-QGZVFWFLSA-N 345.443 2.685 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)cc2F)[C@H]2C[C@@H](O)C2)cn1 244678696 IIMKIIILRXAGJU-QWQRMKEZSA-N 344.386 2.780 0 50 EFAA COc1ccc(NC(=O)CN2CCCC[C@H]2CCn2cccn2)cc1 252503569 VFLFXEHHPJQOGQ-KRWDZBQOSA-N 342.443 2.775 0 50 EFAA COc1ccc2c(c1)CC[C@H](NCCCOC1CCN(C)CC1)C2 534656646 TVIBPKPABNPDOT-SFHVURJKSA-N 332.488 2.643 0 50 EFAA Cc1nn(C)cc1NC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 299774704 HZGONPUGGZRELP-HNNXBMFYSA-N 327.432 2.719 0 50 EFAA Cc1csc(CNC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)n1 670437710 CQTHIYZNUGYPNG-UHFFFAOYSA-N 343.452 2.975 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N=[S@](C)(=O)c1ccc(F)cc1 685944925 IOERKEIXTGOUKD-HSZRJFAPSA-N 344.408 2.724 0 50 EFAA CO[C@@H](CNC(=O)c1cc(CC(C)C)nc(O)n1)c1cccs1 952968828 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Cc1nc2n(c1C)CCN(C(=O)c1cccc([C@@H]3CCOC3)c1)C2 367090242 WQJCFKUHOCDSNI-QGZVFWFLSA-N 325.412 2.660 0 50 EFAA CC1(C)C[C@]1(C(=O)NCC(=O)Nc1nccs1)c1ccccc1F 215674039 NUAWRVLXVUCMRF-QGZVFWFLSA-N 347.415 2.705 0 50 EFAA CCN1CC2(CCN(Cc3noc(-c4ccccc4)n3)CC2)OC1=O 77505013 FPSJVGZEWCOJGL-UHFFFAOYSA-N 342.399 2.543 0 50 EFAA CN1CCC(N2CCC[C@H](C(=O)NC(C)(C)c3ccccc3)C2)CC1 71613784 GXDNHTNVQARGHA-KRWDZBQOSA-N 343.515 2.844 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(-n2cccn2)c1 72158590 QYMXYLJOUJFHIP-IBGZPJMESA-N 325.412 2.934 0 50 EFAA Cc1nc(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)cs1 72457864 WAQDBOPPAQQLEO-MRXNPFEDSA-N 326.425 2.748 0 50 EFAA O=C(c1ccccc1Cc1ccccc1)N1CCC[C@H](c2nn[nH]n2)C1 371019969 VOMZVZDEQLFZDP-KRWDZBQOSA-N 347.422 2.810 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 452866701 BGUKMVBXDKKQGR-UAFMIMERSA-N 345.398 2.943 0 50 EFAA O=C(O)c1ccccc1OCCN1CCC[C@H](N2CCCCC2)C1 373241568 XMJQEMAVIWFLEB-INIZCTEOSA-N 332.444 2.714 0 50 EFAA C1CCc2nnc(CN3CCCC[C@@H]3c3noc(C4CC4)n3)n2CC1 376615596 CZXYUNWBOAFTCE-CQSZACIVSA-N 342.447 2.992 0 50 EFAA Cc1ccccc1OC1CCN(C(=O)CCn2ccnc2C)CC1 77377032 JMJHDCXHPRCUQK-UHFFFAOYSA-N 327.428 2.960 0 50 EFAA O=C(c1cnc([C@H]2CCCO2)s1)N1CCC(Cn2cccn2)CC1 128210348 BIKPSAHOUYDZHW-CQSZACIVSA-N 346.456 2.744 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)NO[C@H](C)c3ccccc3)C2)n1 378120904 UBAYNAJVXPSXTD-IUODEOHRSA-N 330.388 2.960 0 50 EFAA C[C@H]1CC[C@@](C)(C(=O)NC[C@@H]2CCn3ncc(C(=N)O)c3C2)C1(C)C 333953088 DBAICYPKFMANCT-QUJCMNEKSA-N 346.475 2.907 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H]1c1ncc[nH]1 378407512 HYCAIBRQKZGLLG-CYBMUJFWSA-N 326.356 2.872 0 50 EFAA CCNC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72165412 UBUJMADZOSXSKT-BRWVUGGUSA-N 335.398 2.556 0 50 EFAA Cc1c(Cl)c(C(=O)NCc2cccc(OC(F)F)c2)nn1C 215154671 RYPCGZJGNZINMX-UHFFFAOYSA-N 329.734 2.913 0 50 EFAA CCCn1nccc1C(=O)N1CCN(c2ccccc2OC)C[C@@H]1C 72427106 JUOFQENXXZCSCY-HNNXBMFYSA-N 342.443 2.653 0 50 EFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2F)C1 337615242 LBRRVQFNCSBNMS-CQSZACIVSA-N 334.435 2.867 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cccc(Cl)c2Cl)C1 284546647 HSTBPPHXUCEBPC-KCJUWKMLSA-N 341.198 2.714 0 50 EFAA O=C(CCc1ccncc1)N1CCC[C@@H](OCc2cccnc2)C1 82114464 UWRNVTGYWIEXMS-GOSISDBHSA-N 325.412 2.617 0 50 EFAA Cc1nc(-c2cccc(NC(=O)COc3ncccn3)c2)cs1 82230316 XRAFEYCSCXQXCR-UHFFFAOYSA-N 326.381 2.926 0 50 EFAA COc1ccc(F)c(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)c1 221159143 CDHKERRPBLWABN-LJQANCHMSA-N 345.418 2.880 0 50 EFAA CC(C)Oc1c(Cl)cccc1NC(=O)NCCc1ncnn1C 88389542 YZKMFEYCHYJHTG-UHFFFAOYSA-N 337.811 2.620 0 50 EFAA Cc1cccc2nc(CCN(C)C(=O)[C@H](C)n3ccnc3C)[nH]c12 426399459 UDVTVVYLEDWZCC-ZDUSSCGKSA-N 325.416 2.638 0 50 EFAA C[C@@H](Oc1ccc(CN(C)CCN2CCCC2)cc1Cl)C(=O)O 223899105 RXCGYCYNVUMLPO-CYBMUJFWSA-N 340.851 2.720 0 50 EFAA Cc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)s1 195239825 CYEFGZSTPVCZAY-UHFFFAOYSA-N 329.469 2.888 0 50 EFAA COc1ccccc1CN(CCO)C(=O)c1ncsc1C(C)C 292240067 RPOCEZDQJCPARR-UHFFFAOYSA-N 334.441 2.910 0 50 EFAA O=C(c1onc2c1CCCC2)N1CC(OCc2cccc(F)c2)C1 426386969 VRNXOQREGCYYKD-UHFFFAOYSA-N 330.359 2.734 0 50 EFAA CCC(CC)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 92019353 LLLCWBSNPUCMIN-UHFFFAOYSA-N 332.492 2.941 0 50 EFAA CC(C)n1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cn1 97527798 HIKNOVDWGBPIHG-SFHVURJKSA-N 341.459 2.816 0 50 EFAA O=C(O)c1ccccc1-n1nc([C@H]2CCOC2)nc1-c1ccco1 97447034 PHLSFPKOIOXKDM-NSHDSACASA-N 325.324 2.729 0 50 EFAA COCCCCN1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95528316 HYSVWEJZWHCSKM-SFHVURJKSA-N 332.488 2.672 0 50 EFAA CC(C)(C)c1cc(NC(=O)CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)on1 294190590 FWFRLUJQHJZCKO-XQQFMLRXSA-N 349.431 2.628 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCc1nc(-c2ccccc2F)no1 95364357 MABNGYOZZMNBGX-ZDUSSCGKSA-N 346.406 2.756 0 50 EFAA Cc1ccc(N2N[C@@](C)(CC(=O)Nc3ccccc3)NC2=S)cc1 334160611 INVJOGVZQBLTTI-SFHVURJKSA-N 340.452 2.939 0 50 EFAA CSCc1noc(CN(C)CCc2nc3c(C)cccc3[nH]2)n1 244778707 PVCPFOBTVXLAGJ-UHFFFAOYSA-N 331.445 2.792 0 50 EFAA O=C(COCc1ccccc1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244898949 ZELPZRIGQPWDLC-DAYGRLMNSA-N 331.437 2.893 0 50 EFAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCOc2ccccc21 181673588 LKFLWDPZBHBYSE-UHFFFAOYSA-N 349.456 2.744 0 50 EFAA C[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)[C@@H](C)CO1 182471864 FBRILUVAOLMDGX-IRXDYDNUSA-N 345.487 2.717 0 50 EFAA CCOc1cncc(N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)n1 299740719 BIBFFBFBCPGNBF-CQSZACIVSA-N 327.432 2.710 0 50 EFAA COC(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccnc1 183039889 YIYFUXXFZWBGOX-NVXWUHKLSA-N 345.830 2.818 0 50 EFAA COc1ccc(-c2nc3nccc(-c4ccncc4)n3n2)c(OC)c1 253409795 MKXCRFXCKSBGNN-UHFFFAOYSA-N 333.351 2.871 0 50 EFAA Cn1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cn1 253409783 MJXMOUYFVCVRTE-OAHLLOKOSA-N 348.358 2.798 0 50 EFAA CSc1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)cc1 32577601 FSYFGTGNPOMCNL-AEFFLSMTSA-N 349.544 2.874 0 50 EFAA CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCc2cnn(C)c2)c1 298880786 YVEKWOKPLCSQBC-UHFFFAOYSA-N 348.834 2.783 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)n1 299793628 IIQIGJTXFXHEDV-CYBMUJFWSA-N 329.404 2.779 0 50 EFAA CC[C@H]1CCCCN1CC(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 822718124 JQDURAVKCISURR-INIZCTEOSA-N 327.432 2.983 0 50 EFAA Cc1nc2ccc(CNC(=O)[C@H](Cc3ccccc3)N(C)C)cc2[nH]1 584899185 LSJRENNOPQWMPX-IBGZPJMESA-N 336.439 2.660 0 50 EFAA CN1C[C@@H](CNC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1=O 670455592 YFBIIKPJWHZOIM-MRXNPFEDSA-N 330.472 2.901 0 50 EFAA C[C@@H]1C[C@H](NC(=O)NCCc2nc(C(C)(C)C)cs2)CCO1 271279909 QDAPHAAUANACEX-VXGBXAGGSA-N 325.478 2.850 0 50 EFAA CC[C@H](NC(=O)Cc1cccc(O)c1)[C@H](O)c1c(F)cccc1F 272248562 OTABPVRBNSEJFG-YJBOKZPZSA-N 335.350 2.841 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2nc(Br)cs2)CC1 96102415 PJTYRYGVZASDJM-UHFFFAOYSA-N 348.266 2.963 0 50 EFAA in-vitro C[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C1=CCN(C)CC1 272803776 VFCQSXGIMONIEM-AWEZNQCLSA-N 344.455 2.502 0 50 EFAA c1ccc(CC[C@@H]2CN(Cc3nnc4n3CCCCC4)CCO2)cc1 273259219 BTJLNMQTZRQIAL-GOSISDBHSA-N 340.471 2.838 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)o1 275299756 GXDYJUOUILQUEE-WOSRLPQWSA-N 332.404 2.602 0 50 EFAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCCc1cccs1 278569949 XFCFDUMKVKVPKW-OAHLLOKOSA-N 336.501 2.783 0 50 EFAA CCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3ccc(O)cc3)nc2)n1 170604954 PVXRCFYLJIXARJ-UHFFFAOYSA-N 336.395 2.736 0 50 EFAA CCc1ncc(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)s1 186575410 CBCUMILKMYSUSV-OAHLLOKOSA-N 344.484 2.885 0 50 EFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)CCOc1ccccc1 279608868 QNIZGLVKMHCQTN-AWEZNQCLSA-N 329.400 2.722 0 50 EFAA CCN(CC(=O)O)C1CCN(Cc2cc(F)cc3cccnc23)CC1 186689140 OUYSKEAOYHQSJV-UHFFFAOYSA-N 345.418 2.745 0 50 EFAA CCc1ccc([C@@H]2CN(C(=O)NCc3cc(C)no3)CCO2)cc1 187956541 LOQXJGFPYSDOJM-KRWDZBQOSA-N 329.400 2.829 0 50 EFAA CC(C)c1ccc(OC2CCN(c3cc(C(N)=O)ncn3)CC2)cc1 641299864 SPOOCORWUDXTEG-UHFFFAOYSA-N 340.427 2.747 0 50 EFAA CO[C@@](C)(C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1F 192351406 ZAXPKDFUOIEACE-HXPMCKFVSA-N 347.434 2.785 0 50 EFAA c1cnc(N2CCC(NCc3cnc(-c4ccco4)s3)CC2)nc1 193005255 HTTVGKBPDFJJEF-UHFFFAOYSA-N 341.440 2.952 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CC4OCCCO4)C3)nc2c1 193649880 YRKRDXRXYLGTQU-CQSZACIVSA-N 343.427 2.730 0 50 EFAA COc1cc(CC(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)ccc1C 737885008 ZFOIDGPKLJQUNU-KRWDZBQOSA-N 349.333 2.766 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@H]2CCCC[C@H]21 659195000 NSEDIAXMTPDOID-BJKJVOPESA-N 347.459 2.632 0 50 EFAA CC(=O)Nc1cc(NC(=O)c2cccc(C(=O)O)c2)c(F)cc1F 761335445 SHSYDHLFFITXNE-UHFFFAOYSA-N 334.278 2.874 0 50 EFAA O=C(O)[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@@H]1O 1615958684 NUFZZFWPKQFTTJ-MNOVXSKESA-N 325.817 2.822 0 50 EFAA COc1cc2c(cc1CN1C[C@@H](O)[C@H](Cc3ccccn3)C1)CCC2 1529152406 SWUJRBKWWAGOBS-YLJYHZDGSA-N 338.451 2.614 0 50 EFAA O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1 3161048 KBFYMIDQZWIKJR-UHFFFAOYSA-N 326.215 2.928 0 50 EFAA in-vitro O=C(c1cncc(N2CCc3c(Cl)cccc3C2)n1)N1CCCC1 1704338731 XWDUOUCCWGXIQP-UHFFFAOYSA-N 342.830 2.929 0 50 EFAA COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1 5396565 WENKSHNLYJXJSX-UHFFFAOYSA-N 349.390 2.866 0 50 EFAA COCCC(=O)N[C@H](C)c1cnc(N2CCCCCCC2)nc1C 14973970 OBMCEGMLNWGPLE-CQSZACIVSA-N 334.464 2.769 0 50 EFAA CO[C@@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 15000841 GDJZRLZEPOAGFU-HZPDHXFCSA-N 336.819 2.665 0 50 EFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN1CCCCC1 15062997 CQJDRVQUEXWYRS-AWEZNQCLSA-N 339.443 2.510 0 50 EFAA CC(C)N(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 19742296 KZENQUVODRPTHH-UHFFFAOYSA-N 344.455 2.947 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 19773543 YSLNSWXJBYNPOK-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA c1cn(C[C@H]2CC3(CCNCC3)CO2)c(-c2ccc3c(c2)CCO3)n1 1857672139 LWMJFXWMMVCHCJ-QGZVFWFLSA-N 339.439 2.644 0 50 EFAA Cc1nn(C)c2c1[C@H](NC(=O)c1ccc3sc(=N)[nH]c3c1)CCC2 1857717392 NOKBUSYXVJSRNO-LLVKDONJSA-N 341.440 2.558 0 50 EFAA C[C@@H]1CCCN(C(=O)CCc2ccncc2)[C@H]1C(=O)OC(C)(C)C 425049314 XLECXCPMXYDQDX-RHSMWYFYSA-N 332.444 2.983 0 50 EFAA O=C1NCCN(C(=O)c2cncc(Cl)c2)[C@@H]1CC1CCCCC1 333720624 JQUIDVNPJZXKTM-OAHLLOKOSA-N 335.835 2.646 0 50 EFAA C[C@H]1CN(C(=O)NCC2(CF)CCOCC2)Cc2ccccc2O1 653106480 OOLRRLWCMKBBHM-AWEZNQCLSA-N 336.407 2.745 0 50 EFAA CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 253385349 SHVPRWZITOZIPL-IRXDYDNUSA-N 343.471 2.817 0 50 EFAA CC[C@@H](CO)NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 253396020 XDEVRVMKQXWECI-BJJXKVORSA-N 338.245 2.540 0 50 EFAA CN(Cc1ccon1)C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 266277132 YVAZPKWVIPVOOC-IBGZPJMESA-N 341.411 2.576 0 50 EFAA CCOc1ncc(C)cc1NC(=O)N1CCC(c2ccn(C)n2)CC1 931584039 RZIHXUWBDDMNAO-UHFFFAOYSA-N 343.431 2.934 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NCC3(CO)CCOCC3)c2c1 1120033623 PXFBBYUNPHKPMY-UHFFFAOYSA-N 336.819 2.520 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cnn(C3CCC3)c2)C1 934317330 XFLPBIFXGFNOTN-CYBMUJFWSA-N 343.435 2.631 0 50 EFAA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)OC1CCCC1 952992622 QKIHAIAQPJWONE-JTQLQIEISA-N 346.353 2.914 0 50 EFAA Cc1noc(C)c1Cc1nc(-c2cc(Br)no2)no1 952993341 WUWKPXAXCDGAJS-UHFFFAOYSA-N 325.122 2.683 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCc3ccccc3F)n[nH]c21 1875288824 FSKREVCJDOLZBB-NEPJUHHUSA-N 331.391 2.886 0 50 EFAA O=C(O)C1(C(=O)Nc2ccc([C@@H]3CC3(F)F)cc2)CCOCC1 1875292392 GUNKEVSGFPEHEU-LBPRGKRZSA-N 325.311 2.629 0 50 EFAA Cn1ccnc1C1=C[C@H]2CC[C@@H](C1)N2c1ncncc1Br 1875294600 KIRBEVZXHUKJPE-NEPJUHHUSA-N 346.232 2.797 0 50 EFAA CCN(Cc1cccc(NC(=O)c2cc(C)c(C(=O)O)o2)c1)C(C)=O 1875268922 SSJNJWRQFBXDEL-UHFFFAOYSA-N 344.367 2.907 0 50 EFAA CC(C)[C@H](F)C(=O)N1CC2(CC(NC(=O)CC(C)(C)C3CC3)C2)C1 1875358523 YYXBWXAVKUSMDI-INIZCTEOSA-N 338.467 2.914 0 50 EFAA Cn1cc([C@@H]2OCCC[C@H]2c2nnc(-c3conc3C3CC3)o2)cn1 886095129 LZSWMEZSTVJZTJ-DOMZBBRYSA-N 341.371 2.971 0 50 EFAA CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)c2cccs2)C1 890373104 OBWKVZSJDQHKLO-UHFFFAOYSA-N 348.428 2.989 0 50 EFAA O=C(c1ccc2c(c1)nc(O)n2C1CC1)N1CC(Cc2ccoc2)C1 890575529 WVLWHZOSFZQOHT-UHFFFAOYSA-N 337.379 2.985 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1 1300123 KDXKSYMIUVQZTM-MRXNPFEDSA-N 339.420 2.824 0 50 EFAA O=C1CCN(C[C@H]2CCCCS2)C(=O)N1Cc1conc1C1CC1 2325779500 KIFUVTPCIZVGPT-CQSZACIVSA-N 349.456 2.992 0 50 EFAA O=C(O)[C@H](CNCc1cc(-c2ccccc2)n[nH]1)Oc1ccccc1 2325851603 DMNADSCXQMBUSY-SFHVURJKSA-N 337.379 2.699 0 50 EFAA C[C@H]1Cc2c(Cl)cccc2[C@H]1NC(=O)c1ccc(N(C)C)nn1 2325873759 SGPUKEBYKMVESP-QFYYESIMSA-N 330.819 2.859 0 50 EFAA C[C@@H]1CCc2sc3nc(Cc4ccccc4)n(N)c(=O)c3c2C1 242538 SXGXQWUYLLEZRJ-LLVKDONJSA-N 325.437 2.887 0 50 EFAA O=C([C@H]1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1056309 AHPBPJPRMAZSQR-CQSZACIVSA-N 329.227 2.821 0 50 EFAA CC(C)Cn1c(CN2CCC[C@]23CCCNC3=O)nc2ccccc21 2356146967 CDCMBAQIAJVOFL-FQEVSTJZSA-N 340.471 2.937 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)CC(C)(C)c2ccccc2)CC[C@@H]1O 2356154555 ZYPXOYSNQXYACZ-OXJNMPFZSA-N 347.455 2.819 0 50 EFAA CCCCN1C(=O)S/C(=C\c2ccccc2OCC(=O)O)C1=O 2813291 RNDIYLICHOXZII-LCYFTJDESA-N 335.381 2.986 0 50 EFAA COc1cc(NS(=O)(=O)Cc2ccccc2)cc(OC)c1OC 4742352 LHYPVZXPMRBIFS-UHFFFAOYSA-N 337.397 2.654 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1 4809563 FFKAANIPWSZOAP-UHFFFAOYSA-N 332.425 2.720 0 50 EFAA CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)CC(=O)N2 4944386 OMMKWULGMVDYLS-GFCCVEGCSA-N 345.424 2.755 0 50 EFAA CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1 6183081 WOHSSEIULPBQJO-UHFFFAOYSA-N 339.424 2.956 0 50 EFAA CC(=O)Nc1cc(NC(=O)CSc2nccc(C)n2)ccc1C 10230954 JZICLXXHBZYQHB-UHFFFAOYSA-N 330.413 2.783 0 50 EFAA CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@H]2CC(c3ccncc3)=NO2)CCO1 225358068 OYSATSBMVGDPBW-RYQLBKOJSA-N 345.443 2.675 0 50 EFAA COc1cccc(OCC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 225677687 WUJRICGZYNOKLU-MAUKXSAKSA-N 345.370 2.548 0 50 EFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 9547466 SXHLITOKKNOWLE-UHFFFAOYSA-N 329.400 2.861 0 50 EFAA Cc1ccc([C@H]2COCCN2C[C@H](O)COc2ccc(F)cc2)o1 116893627 SOXYEWMTDFMJQQ-DOTOQJQBSA-N 335.375 2.540 0 50 EFAA CC1(C)C[S@](=O)CCN1Cc1csc(Nc2ccccc2)n1 348211357 PBVUTAOWFJQTHI-QFIPXVFZSA-N 335.498 3.230 0 50 EFAA CC1(C)[C@H]2CC=C(CN3CCC(Cn4cc(CCO)nn4)CC3)[C@@H]1C2 23542600 GENAQQIQTDACHP-HKUYNNGSSA-N 344.503 2.517 0 50 EFAA COCCn1c(C(=O)Nc2n[nH]c(CC(C)C)n2)cc2ccccc21 170625694 XUDNNIOOBDLFGT-UHFFFAOYSA-N 341.415 2.857 0 50 EFAA C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 229738341 KDOSWDNNUHRXCC-OUAUKWLOSA-N 345.369 2.647 0 50 EFAA O[C@@H]1CN(Cc2cccc3c2OCO3)CC[C@H]1c1ccc(F)cc1 65384016 RMVDZNXJDUKVEA-DLBZAZTESA-N 329.371 2.905 0 50 EFAA COc1ccc(NC(=O)NC[C@@H](c2ccnn2C)C(C)C)c(C)n1 252489214 JKZBFUVHKVNMRQ-CYBMUJFWSA-N 331.420 2.693 0 50 EFAA Cc1cccc(CN2CCN(C(=O)[C@H](O)c3ccc(F)cc3)CC2)c1 72436362 GVELBOOORMIOKT-LJQANCHMSA-N 342.414 2.512 0 50 EFAA O=S(=O)(CCn1ccnc1-c1cc2ccccc2o1)N1CCCC1 77458684 AGAWPMWPUXJWAJ-UHFFFAOYSA-N 345.424 2.722 0 50 EFAA C[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1cn2ccsc2n1 219353653 MMUOLDOCSALIIP-ZDUSSCGKSA-N 332.473 2.982 0 50 EFAA O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccnn1CC(F)F 253431070 NVZJNAJOAJIJJE-GFCCVEGCSA-N 339.317 2.931 0 50 EFAA NC[C@@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 72126332 QNTPURFVQXIKBH-HNNXBMFYSA-N 335.411 2.507 0 50 EFAA Cn1c(C(F)F)nc2cc(C(=O)N3CCN(CC4CC4)CC3)ccc21 336897409 TVWCZWGVLLMTMI-UHFFFAOYSA-N 348.397 2.679 0 50 EFAA Cc1nc(-c2cccnc2)nc(N2CCC([C@H]3CCNC3)CC2)c1C 333604064 WXDVCTSOUVOHEZ-KRWDZBQOSA-N 337.471 2.981 0 50 EFAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(-c2cccc(F)c2)c1 215433151 QNPKJGZMOJPVJJ-CYBMUJFWSA-N 347.411 2.657 0 50 EFAA CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 376751019 GGBXSLOUMXRPSL-MJBXVCDLSA-N 336.436 2.997 0 50 EFAA CC(C)(C)c1csc([C@H]2CN(C(=O)c3cccnc3O)CCO2)n1 283036091 HZCRUSMKKIQKCI-GFCCVEGCSA-N 347.440 2.755 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cccc3ccnn23)[C@H](C)C1 77439932 OWBUSJOSQKFRCG-MRXNPFEDSA-N 334.423 2.994 0 50 EFAA CC(C)n1cc([C@]2(O)CCN(Cc3cccc(Cl)c3F)C2)nn1 285496440 MRZJSWXMBIBPSY-INIZCTEOSA-N 338.814 2.745 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)Cc3cc(C)no3)C2)CCC1=O 82087469 FQVHSYOYYFGRQX-LJQANCHMSA-N 347.459 2.557 0 50 EFAA O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cc2n(n1)CCCO2 225458863 FLAZIVCKHJGJEJ-UHFFFAOYSA-N 330.363 2.657 0 50 EFAA C[C@]1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCCC[C@@H]1O 178288488 CHLCEGJMZRVUBM-BLLLJJGKSA-N 337.420 2.662 0 50 EFAA c1ccc(-c2nc(CCN[C@H]3CCOC4(CCOCC4)C3)no2)cc1 82138279 QGXXGTWTRIJKCK-INIZCTEOSA-N 343.427 2.597 0 50 EFAA Cc1ccc2nc(C(=O)NCCCc3nc4ccccc4n3C)cn2c1 91793324 VABKUHIKPOPYGN-UHFFFAOYSA-N 347.422 2.892 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(CCN(C)C)Cc2ccccc2)n1 426712845 XEBFBJCHUQFZID-SFHVURJKSA-N 340.471 2.857 0 50 EFAA Cc1ccnc([C@@H](NC(=O)c2cc(C)n3nc(C)cc3n2)C2CC2)c1 97698812 RUZHSYFFPMRPHL-SFHVURJKSA-N 335.411 2.931 0 50 EFAA O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239173824 OTLAUPLOUOONEL-BIRIHMBJSA-N 336.185 2.585 0 50 EFAA COCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)o1 91350970 IVYFBGJRNJFLPE-LSDHHAIUSA-N 347.342 2.506 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ncccc2O)C1 95522399 LCLDKLVPHUZHQS-AWEZNQCLSA-N 328.416 2.804 0 50 EFAA Cc1ncccc1CN1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 96149938 ZXGXXGZGYFEHSE-PXNSSMCTSA-N 343.471 2.541 0 50 EFAA Cc1ccc2snc(C(=O)N3CCC(F)(F)[C@@H](CO)C3)c2c1 294843368 XDMGIFDJYCAWBU-SNVBAGLBSA-N 326.368 2.694 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cn1 181355649 VXVRPUQYPJDTEP-INIZCTEOSA-N 336.399 2.666 0 50 EFAA O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCc2cc(Cl)ccc21 299102021 ODGNTCJZCMZBTH-HNNXBMFYSA-N 341.860 2.801 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)cc2[nH]cnc12 262160071 PNAXYGGRTLFQLN-FZQKWOKYSA-N 331.347 2.560 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1940198136 PXEBOASZFRFNQG-BEFAXECRSA-N 335.407 2.859 0 50 EFAA Cc1cnn(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 299764522 IOZFGNPSVXPGOL-UHFFFAOYSA-N 341.411 2.515 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2ccc(CSC)o2)cc1 824313165 RWWFEVXNRCMOSV-UHFFFAOYSA-N 334.397 2.980 0 50 EFAA Cc1nc(C(=O)Nc2cc(NC(=O)CN(C)C)ccc2C)cs1 823676169 OGESELHLLSWMEI-UHFFFAOYSA-N 332.429 2.512 0 50 EFAA c1ccc(N2CC[C@H](NCC3(N4CCOCC4)CCCCC3)C2)cc1 674877478 UMICRFCDEURHRI-IBGZPJMESA-N 343.515 2.890 0 50 EFAA COc1cc(F)c(CN2CCC(O)(c3ccccn3)CC2)cc1OC 670440487 YAILATXLLXHQAF-UHFFFAOYSA-N 346.402 2.722 0 50 EFAA C[C@@H](CN(C)Cc1cc2ccc(Cl)cc2nc1O)N1CCOCC1 952967778 BSJGDYDROBLCAR-ZDUSSCGKSA-N 349.862 2.746 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)c3nn(C)c4ccccc34)cc2[nH]1 952873109 GTQWRYQZYVOUBW-JTQLQIEISA-N 335.367 2.755 0 50 EFAA O=C(Nc1cccc(Oc2ccccc2)c1)N1C[C@H](CO)[C@@H](CO)C1 1565513337 VRQONQJGODNRHX-HUUCEWRRSA-N 342.395 2.543 0 50 EFAA Cc1cc(N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)cc(C)n1 1565516383 CPSXNECKMJOFKD-JXFKEZNVSA-N 343.471 2.854 0 50 EFAA CCNC(=O)c1ccc(N[C@H]2CCN(c3ccccc3OC)C2)nc1 268230905 LPWJUHAHPDMMFO-HNNXBMFYSA-N 340.427 2.531 0 50 EFAA COc1nnc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)s1 276585643 VMXJIAPWHRQZBD-PSASIEDQSA-N 340.430 2.602 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1 277107533 QCKLZUJFVSENAT-OAHLLOKOSA-N 329.444 2.751 0 50 EFAA O=C(c1cnc(-c2ccco2)s1)N1CCC[C@H](c2nnc(O)o2)C1 670384345 OMLPXFIIFQNHPH-VIFPVBQESA-N 346.368 2.512 0 50 EFAA COc1cc(F)ccc1N1CCN(C(=O)c2cnn(C(C)C)c2)CC1 191667253 JHZRNMDGLKJORR-UHFFFAOYSA-N 346.406 2.574 0 50 EFAA O=C(C[C@@H]1COCCN1C(=O)[C@H]1CCc2ccccc21)c1ccco1 677316218 IUJVBHLCHKRCDC-WBVHZDCISA-N 339.391 2.810 0 50 EFAA CCc1nnc(CN[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)o1 193199332 JZSIEGAJQBIUDN-CYBMUJFWSA-N 338.452 2.805 0 50 EFAA CCOc1nc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)co1 680359213 NOWFZFXZKJTEMQ-AWEZNQCLSA-N 336.775 2.940 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1ccc(F)cc1F 776658737 LEKZCFKSYONJMO-GOEBONIOSA-N 331.318 2.937 0 50 EFAA Cc1ncc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)s1 1670287761 BVLBYBCPRZZYAL-HNNXBMFYSA-N 348.449 2.617 0 50 EFAA CCCCOc1c(CN2C[C@@H]3COCC[C@]3(CO)C2)cccc1OC 1772707472 NUDUPDMWUQUVOM-YLJYHZDGSA-N 349.471 2.705 0 50 EFAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(c2ccccc2)CC1 11879837 ANYXEKHQYOSQFS-KRWDZBQOSA-N 326.440 2.794 0 50 EFAA Cc1ccc(CN2CC(=O)N(C3CCCCC3)C[C@H](O)C2)c(C)c1 14531153 KPIQPIMXTSKAQX-LJQANCHMSA-N 330.472 2.641 0 50 EFAA CC[C@@H](COC)NC(=O)c1cc(COc2ccc(F)cc2F)on1 14949494 FFWMJOGSPYXQGV-NSHDSACASA-N 340.326 2.687 0 50 EFAA CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 14966620 HVHDPDWJEANHJQ-HXUWFJFHSA-N 344.455 2.836 0 50 EFAA O[C@@H](COCc1ccccc1F)CN1CCN(c2ccccc2)CC1 19794761 ZAKDMDPJEMMJBX-LJQANCHMSA-N 344.430 2.525 0 50 EFAA Cc1cc(Cl)ccc1NC(=S)NCCCN1CCOCC1 19840982 WYCFAPNBOTVRBG-UHFFFAOYSA-N 327.881 2.657 0 50 EFAA Cc1noc(C)c1CN1CCC(NC(=O)c2c(F)cccc2F)CC1 169751647 GFEZZFHVQNMXSX-UHFFFAOYSA-N 349.381 2.964 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1ccccc1OC 1857679427 LNFQBXWDOFRPBZ-ZSZQSSIHSA-N 331.412 2.872 0 50 EFAA Cn1cc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cn1 1857697905 AZMDWMIEATYLAU-RTBURBONSA-N 341.455 2.667 0 50 EFAA CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)n1ccnc1 408517928 PJVTWDJCUBYEMM-OAHLLOKOSA-N 349.818 2.584 0 50 EFAA NC(=O)c1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 118636979 VJRSDFOLOKKPPH-UHFFFAOYSA-N 335.816 2.956 0 50 EFAA CC(C)C[C@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 119158783 ROTGBKZEDNGQPS-OAHLLOKOSA-N 329.444 2.730 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1ccc(-n2cccn2)cc1 248110742 HCHPUPHOIBZLNO-RBUKOAKNSA-N 338.455 2.500 0 50 EFAA Cc1cnn([C@H]2CCN(Cc3nnc(Cc4ccccc4C)o3)C2)c1 367999057 BGXGUSGUGIAWIJ-KRWDZBQOSA-N 337.427 2.921 0 50 EFAA Cc1cc(Cl)c(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1C 262874767 GLAFVCBXAFFUAY-CQSZACIVSA-N 339.819 2.814 0 50 EFAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 901032549 SAMHGCBQKUBJOJ-SNUQEOBHSA-N 341.411 2.933 0 50 EFAA CN(c1ccccc1)c1cc(NC[C@@H]2CNCCC2(F)F)ncn1 905675923 NFUVFXFYQAIYKY-ZDUSSCGKSA-N 333.386 2.901 0 50 EFAA CCc1noc(C)c1NC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 930546327 SOWXCUNYUWHZDY-CQSZACIVSA-N 341.415 2.957 0 50 EFAA Cc1csc([C@@H]2CCN(C(=O)Nc3ccnc4cc(C)nn34)C2)n1 932454465 RFKFSZWXUBUBFV-GFCCVEGCSA-N 342.428 2.824 0 50 EFAA O=C(c1cnn(C2CCC2)c1)N1CCC(Oc2ncccc2F)CC1 935685886 COFLAYWIEJPBCQ-UHFFFAOYSA-N 344.390 2.826 0 50 EFAA CC[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875289006 PBOVGIBPYUOKQU-XQLPTFJDSA-N 330.494 2.610 0 50 EFAA CCc1c(-c2nc([C@H](Cc3ccccc3)OC)no2)nnn1CC 1875265744 ZTRARUZJBXAMNI-AWEZNQCLSA-N 327.388 2.841 0 50 EFAA Cn1ccc(C(=O)N2CCN(c3cccc4sccc34)CC2)n1 1875297180 FQCMCUWTUDMCDX-UHFFFAOYSA-N 326.425 2.597 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 1875303622 FWEGNRCBWLKDDK-AALXLURJSA-N 327.371 2.962 0 50 EFAA C[C@@H](c1nc(C2(c3ncccc3Br)CC2)no1)N(C)C 1875305973 OKZOFGFBZUVHFW-VIFPVBQESA-N 337.221 2.930 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1cc(-c2ccccc2)ncn1 1875398626 ZISULOMYSZZTFJ-BMGDILEWSA-N 335.411 2.592 0 50 EFAA Cc1ncc(S(=O)(=O)Nc2cnccc2-c2ccc(F)cc2)n1C 1875408490 XVSJBWFWYNBHDE-UHFFFAOYSA-N 346.387 2.730 0 50 EFAA O=C(c1cc2n(n1)CCCO2)N(Cc1ccccc1)CC(F)(F)F 888092636 ITICDCKYPGPYFT-UHFFFAOYSA-N 339.317 2.870 0 50 EFAA N[C@H]1CCC[C@H]1Oc1cnn(Cc2ncc(Cl)cc2Cl)c1 1775958341 RYVBZOPRNPJXGA-GXTWGEPZSA-N 327.215 2.892 0 50 EFAA Cn1c(C(=O)NCc2ccc3c(c2)CCO3)cnc1-c1ccccc1 2100534290 BTIRTJDRQRHVOS-UHFFFAOYSA-N 333.391 2.952 0 50 EFAA COc1ccc(CN(C)C(=O)c2cccc3ncnn23)c2cccnc12 2100534451 JACFVEGCBCNSJO-UHFFFAOYSA-N 347.378 2.558 0 50 EFAA Cn1nc(CCNCc2scc3c2OCCO3)c2ccccc21 2325760878 XUVNZGIKRRQZLE-UHFFFAOYSA-N 329.425 2.738 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc(F)c(O)c2F)sc1C(=O)O 2325840692 LTONMKMEUFSTPQ-UHFFFAOYSA-N 349.336 2.539 0 50 EFAA Cc1cscc1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 937799771 MPPBDIFPOANCFO-LBPRGKRZSA-N 346.456 2.548 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1 270147 RDESPQAMBFQBAH-AWEZNQCLSA-N 339.395 2.780 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1[nH]c3ccccc3c1Cl)C2 2356152328 YZBZWZKIVJBJKS-GTNSWQLSSA-N 334.803 2.556 0 50 EFAA CN(C)CCCNC(=O)C[C@@H](c1ccccc1)c1ccccc1O 2885064 GDRYSJVBGVKDKN-SFHVURJKSA-N 326.440 2.982 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(N)=O 4853696 PGWQYMOHMZKQAH-UHFFFAOYSA-N 338.816 2.857 0 50 EFAA CC(C)CCn1c(=O)n(Cc2ccccn2)c2cc(C(=O)O)ccc21 55568990 SXQNKXIWLPJETN-UHFFFAOYSA-N 339.395 2.991 0 50 EFAA CC[C@@H](C(=O)N1CCC(Cc2nncn2C)CC1)c1ccccc1 55243200 HBMAIYCVZVXZAO-QGZVFWFLSA-N 326.444 2.790 0 50 EFAA CCS(=O)(=O)c1ccc(-c2nc3cc(F)ccc3c(=O)[nH]2)cc1 225619313 NGQFATDABNCGMB-UHFFFAOYSA-N 332.356 2.523 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)[C@H](C)n2cnc3ccccc32)c1 171435564 QIADZZWAQJSGEU-LBPRGKRZSA-N 347.382 2.520 0 50 EFAA Cc1ccccc1N1CCN(Cc2c(C)nn(CCO)c2C)[C@@H](C)C1 106699591 HQKSGTRCVOWENY-INIZCTEOSA-N 342.487 2.511 0 50 EFAA CCCc1cnc(C)nc1N1CCN(C2CCCCC2)[C@@H](CCO)C1 106970041 TUTQGAGFZZTQTQ-IBGZPJMESA-N 346.519 2.943 0 50 EFAA COc1ccccc1CN1CCC(C(=O)NCc2cccnc2)CC1 22241701 HYJNTJODHXQCGH-UHFFFAOYSA-N 339.439 2.619 0 50 EFAA NC(=O)COc1ccc(Cl)cc1-c1nccn1Cc1ccco1 67675157 NEMHUNBODRZVSI-UHFFFAOYSA-N 331.759 2.709 0 50 EFAA CC[C@H](C)c1ccccc1OCC(=O)NCCCc1nnc(N)s1 63833078 KELWASBXBKGPAG-LBPRGKRZSA-N 348.472 2.762 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(Cc2nc(-c3ccco3)no2)C1 65526348 CBKBYENAWMDUEF-GOSISDBHSA-N 325.368 2.732 0 50 EFAA COc1cc(OC)cc(C(=O)NCCCn2cc(Cl)c(C)n2)c1 2802902 JTYWAZCJWGTKPW-UHFFFAOYSA-N 337.807 2.682 0 50 EFAA Cc1nn(Cc2nc3c4ccccc4ncn3n2)cc1Br 2806814 MZAXVSXCHXUAEV-UHFFFAOYSA-N 343.188 2.593 0 50 EFAA CC(C)c1ncc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cn1 77407308 ZMXSBTDSVIJDBN-FQEVSTJZSA-N 342.487 2.967 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2noc(C(C)C)n2)n1C 328630512 JKNQOKCCSWIDDH-AWEZNQCLSA-N 345.447 2.618 0 50 EFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 328628884 HSKQLCLIPXVZOZ-IRXDYDNUSA-N 346.475 2.937 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 328627867 GRHQPKZHJYUBLM-FHWLQOOXSA-N 340.471 2.504 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)c1 71764317 IFLVMMBUOXNENJ-CQSZACIVSA-N 329.400 2.658 0 50 EFAA CC(=O)Nc1ccc(CN2CCC(Cc3noc(C)n3)CC2)cc1 215569046 ZUVYNVVHFAUQFY-UHFFFAOYSA-N 328.416 2.791 0 50 EFAA CC[C@@H](C)n1nc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1C 331620516 XTGLXFWTJSIMGK-LLVKDONJSA-N 340.431 3.313 0 50 EFAA CCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1 14226306 HEUWHCQPHCBKQP-UHFFFAOYSA-N 327.837 2.686 0 50 EFAA CCNC(=O)c1cccc(CNC(=O)N2CCCC[C@@H](SC)C2)c1 126477362 UYZSTBTVEJMKAF-MRXNPFEDSA-N 349.500 2.863 0 50 EFAA CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)[C@H]1CCCCO1 154946750 ZGALQRBQKXUNJN-GFCCVEGCSA-N 346.349 2.943 0 50 EFAA Fc1ccc([C@H]2CN(Cc3cnc4[nH]ccnc3-4)CCO2)c(F)c1 368112295 IHXATIIBUIRQJG-OAHLLOKOSA-N 330.338 2.761 0 50 EFAA CC(C)c1cc(NCCc2noc([C@H]3CCCO3)n2)n2nccc2n1 72124095 PEFXWMYXQAEBSE-CYBMUJFWSA-N 342.403 2.742 0 50 EFAA CCOc1cc2c(cc1NC(=O)c1ccc(C(=O)O)nc1)O[C@@H](C)C2 261937096 FWJLIBSWCNEHBY-JTQLQIEISA-N 342.351 2.754 0 50 EFAA CC(C)[C@@H](O)CC(=O)N(Cc1ccccc1F)C1CCN(C)CC1 371009475 NGXPSKPMDLUAAI-SFHVURJKSA-N 336.451 2.656 0 50 EFAA COc1cc(C(=O)N2CCCC[C@@H]2CN)ccc1OC1CCCC1 237230309 YRUXRSBXIICPHZ-OAHLLOKOSA-N 332.444 2.970 0 50 EFAA CN1C(=O)C[C@@H](CN[C@@H]2CCCc3nn(C)cc32)[C@@H]1c1ccccc1 373832961 QZVLITRVXJZGJX-VPWXQRGCSA-N 338.455 2.607 0 50 EFAA CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1 374162469 QJEAJFFDGWRFLZ-GOSISDBHSA-N 326.444 2.849 0 50 EFAA COCc1ccc(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)o1 72422551 SPHVWZOGXSFAMQ-CQSZACIVSA-N 344.411 2.786 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccc(F)cc2)n1 72115564 LZFJWRCJQZDMPT-UHFFFAOYSA-N 332.383 2.590 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)[C@@H](C)C1 77487246 DBHHLCZSUIJRCV-AWEZNQCLSA-N 336.395 2.882 0 50 EFAA COc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)cc1OC 284783835 YKNHTRRCCOWHDN-GVDBMIGSSA-N 335.444 2.720 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1C1CC1 177398589 DXLNPRIMWRDJLZ-VYDXJSESSA-N 342.439 2.979 0 50 EFAA O=C(NCc1ccccc1-n1cncn1)c1cccc(OC(F)F)c1 220223231 DDNNDFGMKDGYGN-UHFFFAOYSA-N 344.321 2.799 0 50 EFAA C[C@H](NC(=O)Nc1nnc(-c2ccccn2)s1)C1CCOCC1 177774558 HGSYMUITXHWYBO-JTQLQIEISA-N 333.417 2.537 0 50 EFAA CCC[C@H](CC(=O)O)NC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 426470963 WMQRHHLALFAFFA-CQSZACIVSA-N 344.415 2.862 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)noc1C 97601130 CQSDSAXJUVKXGU-UHFFFAOYSA-N 334.420 2.854 0 50 EFAA COC(=O)c1ccc(NC(=O)NCC2CCOCC2)cc1Cl 95508599 VIORTSOKQWOPEL-UHFFFAOYSA-N 326.780 2.675 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)c(F)n12 91793755 GGXQMBKVYAALFH-AWEZNQCLSA-N 341.390 2.531 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCc1cn2ccccc2n1 97743197 MNAJMFSXEWRWNZ-INIZCTEOSA-N 339.443 2.695 0 50 EFAA CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC1 179529781 VZEKDLRSAGTSQR-AWEZNQCLSA-N 339.798 2.778 0 50 EFAA CO[C@@](C)(C(=O)N[C@H](C)c1ccc(Br)cn1)C1CC1 293435634 UVEOPRHURXYGSY-YMTOWFKASA-N 327.222 2.836 0 50 EFAA CN(C)[C@H](C(=O)NCCc1nc2c(s1)CCC2)c1ccc(F)cc1 95389235 ZCBLIXNBYVZMLI-KRWDZBQOSA-N 347.459 2.733 0 50 EFAA CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)[C@@H](C)CO 294078026 WNFARCQHCYMAOC-AWEZNQCLSA-N 348.468 2.802 0 50 EFAA O=C(CN1CCc2ccccc21)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244882779 XYXOYJBXUGZGJG-KHYOSLBOSA-N 342.464 2.739 0 50 EFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)CCC(=O)Nc1nccs1 252483980 FLPFKDDIYQSPJJ-LBPRGKRZSA-N 347.440 2.936 0 50 EFAA O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H]1Cn1ccnn1 299746742 ZMMCEGOZJIGHMB-ZDUSSCGKSA-N 342.296 2.741 0 50 EFAA O=C1CCCN1CC[C@H]1CN(CCCn2ccnc2)c2ccccc21 183192845 WZIINRACFPEOOD-KRWDZBQOSA-N 338.455 2.890 0 50 EFAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCO[C@H](CC(=O)O)C1 299742264 AXMOIGAGUQACCN-GDBMZVCRSA-N 349.427 2.670 0 50 EFAA c1ccc(-c2ccnc(N3CCN(C[C@H]4CCCOC4)CC3)n2)cc1 252485149 GOBYZRTWMKCPSZ-QGZVFWFLSA-N 338.455 2.692 0 50 EFAA Cc1cc(C)n(CC2(CNc3cc([C@@H]4CCOC4)ncn3)CC2)n1 299779498 FVSYVUYXAXRRGR-OAHLLOKOSA-N 327.432 2.686 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NC2(CC(C)(C)C)CC2)C1 670472669 LUOODHHZNVELRX-CQSZACIVSA-N 346.475 2.993 0 50 EFAA C[C@H](CCc1ncnn1Cc1ccccc1Cl)N1CCN(C)CC1 670454887 YYDUTCOIUCYMDY-OAHLLOKOSA-N 347.894 2.548 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1scc2c1CCCC2 952977239 ADODRFJVOWPKPO-OAHLLOKOSA-N 336.501 2.810 0 50 EFAA COC(=O)c1ccc(NCc2ccccc2-n2nc(C)cc2C)nn1 301664812 NYKYUQFVRYCGRP-UHFFFAOYSA-N 337.383 2.678 0 50 EFAA CCN(Cc1cc2c(cc1OC)OCCCO2)[C@H]1CCCC[C@@H]1O 1565513715 DQOONFGVEGBENW-HOTGVXAUSA-N 335.444 2.982 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 221735640 OHOWLKVKHNHAGE-SBOFIZKASA-N 333.407 2.898 0 50 EFAA COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C 91691627 KSWAWCLGGIVDBA-HOTGVXAUSA-N 348.443 2.575 0 50 EFAA in-vitro Cc1ncsc1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 276113337 XELCVHNEHCFMGC-INIZCTEOSA-N 344.484 2.973 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)s1 170066882 MDVCNVPZFJQYHP-NSHDSACASA-N 326.324 2.594 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)CCO1 170604325 LYOIHLLQITZYAV-HHXXYDBFSA-N 334.460 2.752 0 50 EFAA CCc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)n(C)n1 635129987 HOXGFCQEISZVHT-UHFFFAOYSA-N 326.444 2.508 0 50 EFAA Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)O)c(F)cc1F 188406009 LJTMIYILDYBEPQ-UHFFFAOYSA-N 341.335 2.797 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)[nH]n1 190417843 QQPGPDBGMBKZNI-KBPBESRZSA-N 340.210 2.755 0 50 EFAA CN(C(=O)c1ccnnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190448947 GSQCKJPVECRKPP-KBPBESRZSA-N 338.194 2.514 0 50 EFAA Cc1nscc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 191193422 AJZRFAFEFQTZTO-KGLIPLIRSA-N 330.409 2.782 0 50 EFAA CC[C@H](C(=O)O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 191427743 RGOXZGGEEHFUHK-MRXNPFEDSA-N 345.468 2.791 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1F 648579777 USNRMCNRVDKPTK-QGZVFWFLSA-N 340.398 2.913 0 50 EFAA c1ccc(-c2nc(C3CCN(Cc4cc5n(n4)CCC5)CC3)n[nH]2)cc1 649558295 JINIPHWZEDBRIC-UHFFFAOYSA-N 348.454 2.994 0 50 EFAA CN1CC[C@H](NC(=O)c2nn[nH]c2-c2ccccc2)[C@@H]1c1ccccc1 194221634 KPBZJZKYKGPRLJ-LPHOPBHVSA-N 347.422 2.647 0 50 EFAA CC[C@@H](N[C@H](CO)C1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 716132831 LBXXPTLAIUCBIX-HZPDHXFCSA-N 326.481 2.773 0 50 EFAA O=C(O)c1cccc(CN[C@H]2CCCN(Cc3cccs3)C2)n1 1506404414 UCRACJMEHGJTQE-AWEZNQCLSA-N 331.441 2.596 0 50 EFAA Cc1nc(O)cc(CNC2CCN(c3ccc(F)c(F)c3)CC2)n1 1506428914 ZGIQNAGBJDUZRG-UHFFFAOYSA-N 334.370 2.527 0 50 EFAA CC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1c1ccc(C)cc1 212497039 NKUDQJZQFNDNSF-RTWAWAEBSA-N 333.435 2.971 0 50 EFAA c1nc(N2CCC(c3nnc4n3CCCCC4)CC2)c2[nH]ccc2n1 1772812757 QCEUDOUYDYKNJV-UHFFFAOYSA-N 337.431 2.660 0 50 EFAA CCc1n[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 5686681 GETPSSBCXSHQJK-UHFFFAOYSA-N 341.234 2.860 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)Cc3cccc4ccccc34)C2)C1=O 12200564 QCWQJXBLZCZWHW-NRFANRHFSA-N 336.435 2.853 0 50 EFAA Cc1ncsc1CCC(=O)N1CCO[C@H](Cc2ccccc2)C1 12744144 VSTMGXWYZPJYGZ-MRXNPFEDSA-N 330.453 2.854 0 50 EFAA Cc1ocnc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 12836911 IIQHJUWWWUTVBC-QGZVFWFLSA-N 327.428 2.810 0 50 EFAA O=C(c1ccc(Cl)c(F)c1)N1CCCC[C@@H]1CN1CCOCC1 153866002 ALHYDVSGNCWBJK-CQSZACIVSA-N 340.826 2.806 0 50 EFAA O=C(Cc1ccsc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 219856064 MMNWJUISSWWIMT-FCEWJHQRSA-N 343.448 2.854 0 50 EFAA Cc1cnc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 209927482 ZODOTHLHYIHNTM-QUCCMNQESA-N 347.418 2.929 0 50 EFAA O=C1C[C@@H](c2ccc(-c3c[nH]c(C(=O)N4CCCCC4)c3)cc2)CN1 1875249482 VRWVBBKPSGNQFR-QGZVFWFLSA-N 337.423 2.911 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 110707060 LMAPJRAQJGHAOZ-OLZOCXBDSA-N 340.345 2.546 0 50 EFAA Cc1[nH]c2ccc(C(=O)N(C3CC3)[C@H](C)CS(C)(=O)=O)cc2c1C 113207668 PIRKWCFIIXSWBR-LLVKDONJSA-N 348.468 2.822 0 50 EFAA O=C(CN[C@@H]1CCCC[C@H]1Cc1ccccc1)NC1CCOCC1 119016481 DLXVBDNBBVBMRU-PKOBYXMFSA-N 330.472 2.673 0 50 EFAA Cc1ccc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)s1 328647625 UDBCLNYIMSRSFW-CYBMUJFWSA-N 332.429 2.669 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2ncccc2C(F)(F)F)cn1 328629020 HTZMZJSTJCQKBX-DZGCQCFKSA-N 340.349 2.844 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3ccccc3Br)C2)n1 332081588 MJKLNIPMLHXFKP-JTQLQIEISA-N 336.189 2.770 0 50 EFAA COc1ccc2occ(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2c1 442254770 PNLLXEARUCBCNS-UHFFFAOYSA-N 335.323 2.874 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)c2ocnc2C2CC2)[C@@H]1c1ccccc1 367360201 FTWUWNXZCCMHDC-YOEHRIQHSA-N 339.395 2.501 0 50 EFAA Cc1ccc(N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1C(N)=O 162061490 YLBMRULIIUXXHV-MRXNPFEDSA-N 341.386 2.841 0 50 EFAA Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 901835131 KJNQPAHIOUUCSS-OKZBNKHCSA-N 345.439 2.798 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(C4CC4)no3)C1)CC2 1704327477 DZSWYTMXEBXHEU-LJQANCHMSA-N 338.411 2.771 0 50 EFAA C[C@H]1CN(C(=O)COCc2ccccn2)c2cc(F)c(F)cc2O1 906235034 ZLFWYBLAGSTPRE-NSHDSACASA-N 334.322 2.691 0 50 EFAA O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(OC(F)F)nc1 821715730 JIGOTKGMLWYLDS-ZIAGYGMSSA-N 349.337 2.728 0 50 EFAA Cc1cc(S(=O)(=O)N=[S@@]2(=O)CCc3ccccc32)c(C)o1 1875279746 BRUIPEYKAOQMEH-HXUWFJFHSA-N 325.411 2.668 0 50 EFAA C[C@@H](NC(=O)c1ccn(CCF)n1)c1ccc(C(F)(F)F)nc1 1875276195 DCLRXLORQMQBID-SECBINFHSA-N 330.285 2.757 0 50 EFAA C[S@@](=O)(=NC(=O)Cc1ccc(O)c(Cl)c1)c1ccc(O)cc1 1875331349 GIKHTGSXBTXARZ-QFIPXVFZSA-N 339.800 2.977 0 50 EFAA C[C@H](O)[C@@H]1CCN(c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 1875318308 FHBPXYYHABFDCJ-WMLDXEAASA-N 340.423 2.638 0 50 EFAA CC[C@@H](C)N1CCC(NC(=O)c2cc(C(=O)O)c(OC)cc2C)CC1 1875319176 RKKKUEYEQFVIHV-CYBMUJFWSA-N 348.443 2.695 0 50 EFAA Cc1nc(Cc2cnn(C)c2C)n(-c2ccc(Br)cc2)n1 1875348651 XUMFSRYMUOVOQI-UHFFFAOYSA-N 346.232 2.971 0 50 EFAA CCOc1ccc(CNC[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1F 886081901 DALZOMOLEIIBOP-BBRMVZONSA-N 335.379 2.783 0 50 EFAA CC(=O)N1C[C@H](NCc2ccc3c[nH]nc3c2)CC[C@@H]1C(F)(F)F 886036084 ZMVYHXCWLWBTSS-UKRRQHHQSA-N 340.349 2.594 0 50 EFAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3[nH]1)C2 888097644 LWMIDCDYPPCOHP-UAFMIMERSA-N 327.472 2.737 0 50 EFAA Cc1ccc(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(=O)O)C2)cc1C 888077047 GGKDBYHVKFGLRL-MSOLQXFVSA-N 327.428 2.646 0 50 EFAA CC(C)c1c(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)cnn1-c1ccccn1 888099795 QZHJSHBXOGWCOV-FVQBIDKESA-N 340.427 2.688 0 50 EFAA C[C@@]1(CNC(=O)CCc2ccsc2Br)CCOC1 1775993461 RIMPFGRIPJNSDF-ZDUSSCGKSA-N 332.263 2.986 0 50 EFAA O=C1NC[C@@H](c2nc(C[C@@H]3COc4ccccc43)no2)c2ccccc21 897086813 MGSOIRQGMJWRRW-MLGOLLRUSA-N 347.374 2.664 0 50 EFAA Clc1ccc(Cc2nnc3sc(-c4csnn4)nn23)cc1 49546552 SSCFPPDIEVPFBF-UHFFFAOYSA-N 334.817 2.949 0 50 EFAA C[C@@H]1CCCN(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)[C@@H]1CCCN 2325766214 CENBNUBPUNXHOG-KLICCBINSA-N 337.508 2.741 0 50 EFAA C[C@H]1CCCn2cc(C(=O)NC[C@H](C(=O)O)c3ccc(F)cc3)nc21 2325788600 RGNVVNXLGONMID-FZMZJTMJSA-N 345.374 2.518 0 50 EFAA CCN(CCC(=O)O)S(=O)(=O)c1cc(Cl)c(Cl)s1 2325790408 JSNSTTVFAZAJJM-UHFFFAOYSA-N 332.230 2.540 0 50 EFAA O=C(c1cccc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1C1OCCO1 2325791738 APHBZGPSPPMHQC-QGZVFWFLSA-N 342.370 2.865 0 50 EFAA COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cccc(N)c2C)c1 2325841265 LYAZUHQSNKBLEB-UHFFFAOYSA-N 348.424 2.781 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1 40571831 BPIHTMMHYSVFRJ-UHFFFAOYSA-N 345.193 2.971 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 48748 VGJSNZGJASXCBD-HNNXBMFYSA-N 346.408 2.518 0 50 EFAA CNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 204033 VYHZCUDYCFGULE-UHFFFAOYSA-N 341.798 2.853 0 50 EFAA Cc1c(OCC(=O)N(C)C)ccc2c3c(c(=O)oc12)CCCCC3 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O=C(c1cccc(CN2CCOCC2)c1)N1CCc2ccccc2C1 20048291 BLHHVWRSKJIVJZ-UHFFFAOYSA-N 336.435 2.717 0 50 EFAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1 67559563 IHTHAACCWLLHTL-WMLDXEAASA-N 343.464 2.942 0 50 EFAA COc1ccc(CN[C@@H]2COc3ccccc3C2)c(OC)c1OC 23128626 QMHDPZULXRRLOS-HNNXBMFYSA-N 329.396 2.806 0 50 EFAA Cc1cnccc1-c1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O 65406266 WHYVYVNVGSFKIC-ZDUSSCGKSA-N 336.370 2.989 0 50 EFAA COCc1csc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)n1 229846308 WPFBQNDQNNUTBC-KGLIPLIRSA-N 338.477 2.769 0 50 EFAA O=C(NCCCc1nnc2ccccn12)c1ccc2cccc(F)c2n1 65394275 GOQONFQHETVLMF-UHFFFAOYSA-N 349.369 2.779 0 50 EFAA Cc1ccc(CN2CC[C@H](NC(=O)c3cc4occc4[nH]3)C2=O)cc1 252491527 LNWIQMLGAKMEKS-HNNXBMFYSA-N 337.379 2.600 0 50 EFAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N(C(C)C)C(C)C)C2 72129261 CYZKOVUVHZRJEV-UHFFFAOYSA-N 345.491 2.982 0 50 EFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NC2CCCC2)C1 11879508 LMWOEBCWOGAIJE-KRWDZBQOSA-N 344.503 2.983 0 50 EFAA CCOc1cc(CNc2ccccc2-c2nnn[nH]2)ccc1OC 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329.366 2.704 0 50 EFAA NC[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccn2)cc1 237961072 YSFPYZJUQYUXGS-QGZVFWFLSA-N 325.412 2.614 0 50 EFAA Cc1cccc(-c2nc(C(=O)NC3(c4nnc[nH]4)CCC3)c(C)[nH]2)c1 281853340 QEYDJXFLJLNZHE-UHFFFAOYSA-N 336.399 2.621 0 50 EFAA c1ccc(-n2ccc(CN3CCC(Oc4cnccn4)CC3)n2)cc1 373279077 RFUBCUVTBRSHLR-UHFFFAOYSA-N 335.411 2.706 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nn(C)c2c1CCCC2 72447261 XVTSAVBZXNNUNM-UHFFFAOYSA-N 349.438 2.757 0 50 EFAA Cn1c(C(=O)N2CCC3(CC2)CNC(=O)C3)cc2cccc(Cl)c21 77287307 UVKKXCTYTUMABG-UHFFFAOYSA-N 345.830 2.574 0 50 EFAA Clc1ccc(CN2CCN(c3ccc4cc[nH]c4n3)CC2)cn1 72149494 BPSMMTIFPOEHCJ-UHFFFAOYSA-N 327.819 2.934 0 50 EFAA CC(=O)Nc1ccc(C)cc1NCc1cc(-c2cnn(C)c2)no1 184003777 VUHLFGPBZPQQLI-UHFFFAOYSA-N 325.372 2.954 0 50 EFAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)s1 82109161 SQBJEEDNRLQFKW-SFHVURJKSA-N 336.501 2.644 0 50 EFAA CCO[C@@H]1C[C@@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 241969494 UWQORDYKBWRBKB-RTBURBONSA-N 341.455 2.936 0 50 EFAA Cn1ccnc1[C@@H](NCC1=Cc2ccccc2OC1)C1CCOCC1 284652186 GFWQGOPZJNKZIQ-IBGZPJMESA-N 339.439 2.953 0 50 EFAA O=C(Cc1cccc2ccccc12)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286364547 PPBPOGYFGDZYAJ-VAMGGRTRSA-N 339.435 2.771 0 50 EFAA Cc1ccccc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1=O 82121048 UKMOQCLXKSTIMP-UHFFFAOYSA-N 326.371 2.552 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2sc3[nH]cnc(=O)c3c2C)on1 426506570 GWWKQORMUPOKKY-JTQLQIEISA-N 344.396 2.567 0 50 EFAA CCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1N(C)C 82096218 PYNGBTZEECMNHA-CZUORRHYSA-N 346.500 2.951 0 50 EFAA CN1CCC(OCCCNC(=O)c2ccc(OC(F)F)cc2)CC1 223608782 UQBHHUOXYOBFBE-UHFFFAOYSA-N 342.386 2.519 0 50 EFAA CSCCc1nc([C@H](C)n2cncn2)n(-c2ccccc2C)n1 95527701 GYPXAVCIGQIBJB-ZDUSSCGKSA-N 328.445 2.682 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](N(C)C(=O)c2cc[nH]c2C)CC1 161640577 NWAYZWBPTPQZEF-OAHLLOKOSA-N 342.443 2.727 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCC([C@@H](O)c2cccs2)CC1 97681881 BKOJZLYHGWIKOF-QGZVFWFLSA-N 333.457 2.766 0 50 EFAA CCCN1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cn3C)C2)C1=O 91452379 CDMQBGPTVYUNKP-KRWDZBQOSA-N 337.851 2.543 0 50 EFAA CCCc1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)n[nH]1 97532549 UMEQRWBOSAEXCI-GOSISDBHSA-N 341.459 2.714 0 50 EFAA CC(C)N1CCC[C@]2(CCN(C(=O)c3cc(Cl)cn3C)C2)C1=O 91847349 PWJDUKFFPVHRPA-QGZVFWFLSA-N 337.851 2.542 0 50 EFAA O=C(CC1CCCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91644189 SOKOCJNNGVQEBU-GOEBONIOSA-N 347.484 2.673 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 95365743 HSAXSIPFRIIUCE-INIZCTEOSA-N 329.448 2.594 0 50 EFAA Cc1ccc2nc(C(=O)NCCc3noc(C4CCCC4)n3)cn2c1 91624609 KUBYLWBTEGOXTN-UHFFFAOYSA-N 339.399 2.656 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCCC[C@H]1CCn1ccnc1 91621260 FWUMOZHPOSDFEV-ZDUSSCGKSA-N 336.823 2.929 0 50 EFAA Cc1nnsc1CNC(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 97797789 YBUDBWUHOUJNGR-SNVBAGLBSA-N 345.428 2.684 0 50 EFAA Cc1ccc(F)cc1CN(C)C1CCN(CCn2cccn2)CC1 180104006 CVQIZEUBAQZJJW-UHFFFAOYSA-N 330.451 2.927 0 50 EFAA CC(C)(C)c1csc(NC(=O)CN2CC(c3ccccn3)C2)n1 244724085 MNGWJUZWNYYLNF-UHFFFAOYSA-N 330.457 2.874 0 50 EFAA COCc1ccsc1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 182377124 KQWUPRDNRUVFBY-CQSZACIVSA-N 346.452 2.912 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(F)cc1 299751807 RWFMJYMHDWHLQM-HOCLYGCPSA-N 347.317 2.601 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(-n2ccnn2)c1 184286319 QRONRHZRZPFFQC-AWEZNQCLSA-N 334.379 2.624 0 50 EFAA O=C1CCCC[C@@H](C(=O)Nc2cc(F)cc(Br)c2F)N1 298541693 CVSVDFZEIBDVKS-VIFPVBQESA-N 347.159 2.725 0 50 EFAA C[C@H](NC(=O)CN1CCC(CCn2cccn2)CC1)c1ccccc1 252499399 RZWVGIBKBYKFLW-KRWDZBQOSA-N 340.471 2.863 0 50 EFAA CCCCN1CCC[C@@]2(CCCN(Cc3cnn(C)c3)[C@@H]2C)C1=O 1940198231 WVDKWSVYHCKQMJ-APWZRJJASA-N 332.492 2.813 0 50 EFAA CCN(C)C(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1 299798383 RJGQFLYILQZEMN-HNNXBMFYSA-N 337.423 2.769 0 50 EFAA Cc1ccc(C2(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1 825172708 SZFQCGOLSLCUPS-UHFFFAOYSA-N 333.395 2.949 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)N2CCCN3CCC[C@H]3C2)c1 823531398 NWTCSMZGEYZZSC-SFHVURJKSA-N 343.471 2.664 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1C 584900456 CVQPRVZBCZMOBC-GOSISDBHSA-N 337.427 2.598 0 50 EFAA CCOC(=O)c1cnc(C)c(C(=O)Nc2cc(O)c(F)cc2F)c1 1362676928 HTRFEYFZSMYDEM-UHFFFAOYSA-N 336.294 2.803 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2[nH]1 952987151 KBEWDJPQAKMOHP-SNVBAGLBSA-N 339.351 2.526 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N(C)[C@@H]3CC(C)(C)OC3=O)c12 408517312 GQXDBFATWOVSNN-CQSZACIVSA-N 344.411 2.662 0 50 EFAA O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CCCOC1 408519944 VMPBHLDONBRGHM-GXTWGEPZSA-N 331.334 2.672 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC(C(F)(F)F)CC1 952973820 YHRIDKHFVNKJLF-ZDUSSCGKSA-N 331.334 2.536 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCN2C(=O)c2cc(C)oc2C)c(C)o1 1395448126 OJXXNIFEZRKPLQ-CQSZACIVSA-N 330.384 2.751 0 50 EFAA CC(C)(C)c1csc(CCNS(=O)(=O)c2cccc(N)c2)n1 274516894 WJOQXMABHVSFDL-UHFFFAOYSA-N 339.486 2.544 0 50 EFAA CCn1nc(CNC[C@@H]2CCO[C@H]2c2ccnn2C)c2ccccc21 275700518 XOSDQUYGIAIMLI-IFXJQAMLSA-N 339.443 2.657 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 277104634 XELATYGWQKGMBV-NEPJUHHUSA-N 333.354 2.603 0 50 EFAA Cn1cnnc1-c1cccc(NC(=O)c2nn[nH]c2-c2ccccc2)c1 170089496 MNUKUPNIHXFIOF-UHFFFAOYSA-N 345.366 2.520 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](C)N(C)CC(F)(F)F 170614677 GEERRDUNOJAMJI-RYUDHWBXSA-N 332.366 2.712 0 50 EFAA Cc1cc(C)c2c(c1)[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)CCO2 170621698 MFIYNYCPVOBFJT-RDJZCZTQSA-N 331.460 2.863 0 50 EFAA CS[C@H]1CCCCN(CCS(=O)(=O)Cc2ccccc2)C1 279688750 HQYOEEYQDXHYRU-INIZCTEOSA-N 327.515 2.819 0 50 EFAA CCn1nccc1C1CCN(C(=O)c2noc3c2CCCC3)CC1 279614732 WXMVVFSVMCWOQY-UHFFFAOYSA-N 328.416 2.790 0 50 EFAA CCn1c(CCNC(=O)N2CCO[C@@](C)(CC)C2)nc2ccccc21 187929575 LJHSBVVDZPQTHV-IBGZPJMESA-N 344.459 2.809 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c(F)c1Cl 640870192 VSTGKGIZVOIAAP-YUTCNCBUSA-N 340.826 2.505 0 50 EFAA Cc1ccc(NCc2n[nH]c3ccccc23)c(OCC(=O)N(C)C)c1 676320220 IFRBYMSJJNYCBZ-UHFFFAOYSA-N 338.411 2.950 0 50 EFAA Nc1nccc([C@@H]2CCCN(C(=O)Nc3cc(F)cc(F)c3)C2)n1 192600869 QWVPTKDNFKTNLC-SNVBAGLBSA-N 333.342 2.749 0 50 EFAA COc1ccc(Br)cc1CC(=O)Nc1nccc(C)n1 194680752 NGGUYIMORXPFPD-UHFFFAOYSA-N 336.189 2.737 0 50 EFAA CCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2Cl)o1 195530984 VYTHOIZMQDKBGQ-LLVKDONJSA-N 344.820 2.556 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCCc2ncccc2C)cn1 657481184 KTJNBQWJRRESAP-QFBILLFUSA-N 328.460 2.906 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccc2nonc2c1 1506401872 MOHLJZDUHGDICK-CYBMUJFWSA-N 336.395 2.632 0 50 EFAA CC(=O)N[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1c1ccc(C)o1 212085000 JUBWORBHOWZKPP-YOEHRIQHSA-N 336.395 2.640 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCCc2cccc3ccccc23)CC[C@@H]1O 1704328518 KCONHLGRVQDMBW-NZSAHSFTSA-N 327.424 2.675 0 50 EFAA CCCOc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1 5134386 YSWYSHVBUPIISL-UHFFFAOYSA-N 340.379 2.700 0 50 EFAA C[C@H](Oc1cccc(Br)c1)C(=O)NCc1cccnc1 12380709 JSUBNYUOGGXMQO-NSHDSACASA-N 335.201 2.928 0 50 EFAA CCc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 13327285 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0 50 EFAA O[C@@H]1CCN(Cc2noc3c2COCC3)[C@@H]1c1ccc(Cl)cc1 930762627 INTMJFKLRBOJOW-NVXWUHKLSA-N 334.803 2.709 0 50 EFAA CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cncc(C(=O)O)c2)cc1 833450294 NEOSCPFTHTYDRC-INIZCTEOSA-N 342.395 2.541 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2c(C(F)(F)F)c(C)nn2C)c1 863947823 HIGKZTLUJZNOLG-UHFFFAOYSA-N 333.335 2.857 0 50 EFAA CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)nc2O)C12CCC2 864070445 QWUKGXJYJRDKGC-KBPBESRZSA-N 345.443 2.916 0 50 EFAA C[C@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1CNC(=O)OC(C)(C)C 866034699 NMXMBQGGSWZCFW-NWDGAFQWSA-N 331.420 2.555 0 50 EFAA O=C(N[C@@H]1CCC[C@H]1Oc1ccccc1)N1CCOC[C@@H]1C1CC1 1875254072 JNTDLZJDGIOGHK-KZNAEPCWSA-N 330.428 2.807 0 50 EFAA C[C@@]1(CNC(=O)c2ccc(-c3cccc(CN)c3)cc2)CCCNC1 1875287528 NCTGFXCRWGTUAG-OAQYLSRUSA-N 337.467 2.932 0 50 EFAA O=C(OCC[C@H](C(F)F)N1CCOCC1)C1CCC2(CC1)CC2 1875278219 JNFBCUINTWIPKJ-CQSZACIVSA-N 331.403 2.856 0 50 EFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3CCCO)ccc21 1875371841 NCIQYQAWNNYZIT-KRWDZBQOSA-N 342.439 2.529 0 50 EFAA 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CCC[C@]1(C(=O)O)CCN(c2ccc(-c3ccccc3)nn2)C[C@@H]1O 2356164333 PAXBWPMXUARGBE-LPHOPBHVSA-N 341.411 2.586 0 50 EFAA CN(Cc1ccn2ncnc2c1)Cc1ccccc1CN1CCCC1 2356167722 ZSBMIMIJCTVVLS-UHFFFAOYSA-N 335.455 2.957 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C(C(C)(C)C)=C[C@H]2[C@H]2C=C(C(C)(C)C)[C@@H]21 101051037 FHSHJADOYHDXJQ-KAOXEZKKSA-N 329.444 2.649 0 50 EFAA C[C@@H]1CN(C(=O)COc2cccc(C=O)c2)C[C@H](c2ccccc2)O1 113155922 UDDPKOKSFGRJLD-DNVCBOLYSA-N 339.391 2.867 0 50 EFAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cccc3cc[nH]c23)cn1 347263684 ICYZJMKGMXKKHM-ROUUACIJSA-N 341.434 2.604 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 20999243 IMIHUTWXXREOAP-HZPDHXFCSA-N 325.412 2.819 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 22914692 MDBMMJCNBCWKFV-FQEVSTJZSA-N 343.446 2.598 0 50 EFAA O=C(c1cc(-c2ccco2)on1)N1CCN(c2cccs2)CC1 134605335 SATFHGJVULVQRF-UHFFFAOYSA-N 329.381 2.959 0 50 EFAA CCNC(=O)C1(NC(=O)c2cncc(-c3ccccc3)c2)CCCC1 252478928 AXNBUSUPDRIRNZ-UHFFFAOYSA-N 337.423 2.927 0 50 EFAA CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCN1C(C)C 77407464 IFYBDZXYGILXCY-CQSZACIVSA-N 345.418 2.612 0 50 EFAA CN1CC[C@H]2CCN(C(=O)Nc3ccccc3OC(F)F)[C@H]2C1 252512930 WUABMYZWDLSKMM-AAEUAGOBSA-N 325.359 2.846 0 50 EFAA O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1C[C@@H]1c1ccco1 123619181 BVBGNCJMIRRYRW-LSDHHAIUSA-N 331.343 2.748 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CCc2[nH]nnc2C1 253405307 KHKBJVJSKKGCTQ-XHDPSFHLSA-N 328.416 2.641 0 50 EFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1Cc2ccccc2C1 216021273 SKZWWZGOAGQIFX-LJQANCHMSA-N 338.455 2.667 0 50 EFAA O=C([C@@H]1CCCN1C1CCOCC1)N1CCc2ccc(Cl)cc21 152144027 JLIFTBRWDSYIHL-INIZCTEOSA-N 334.847 2.873 0 50 EFAA Cn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)cn1 77520122 YNSXMBSRWDCWSK-MRXNPFEDSA-N 349.438 2.754 0 50 EFAA CCc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)n[nH]1 363348455 HFXYSZCHOKHQFR-OAHLLOKOSA-N 326.444 2.709 0 50 EFAA O=C(CC1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72426904 YIJOAOPLGDBROQ-DOTOQJQBSA-N 346.496 2.930 0 50 EFAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1c(C)ccn(C)c1=O)CCC2 155525164 DHMZRLAOSPNUQT-ZDUSSCGKSA-N 346.456 3.000 0 50 EFAA Cc1ccc(CN2CCC[C@H]2Cn2cncn2)c(-c2ccnn2C)c1 367272640 WBCXGCHKSGUDCC-KRWDZBQOSA-N 336.443 2.652 0 50 EFAA CCc1nc(C)sc1C(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 71748091 NJAOAVBQSPJBRA-GFCCVEGCSA-N 335.473 2.535 0 50 EFAA CCn1ccnc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 376559752 YVEVCYFTAJLFHW-ZIAGYGMSSA-N 331.420 2.865 0 50 EFAA N[C@@H]1CCC[C@H](C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)C1 262081386 FHSXZGVVMCNOTB-GVDBMIGSSA-N 347.528 2.736 0 50 EFAA CNC(=O)c1noc(CN2CCC[C@H](CCc3ccccc3C)C2)n1 72166009 DUYDANLGDSRAHJ-OAHLLOKOSA-N 342.443 2.582 0 50 EFAA O=C(N[C@H]1CCCN(CC2CCNCC2)C1)c1cc2ccccc2o1 262307171 YJGBRPLRSVTEAD-KRWDZBQOSA-N 341.455 2.627 0 50 EFAA Cn1cc([C@H]2CCN(Cc3cc(O)ccc3Br)C2)cn1 128507151 RZTOHSWNKSRUEM-NSHDSACASA-N 336.233 2.878 0 50 EFAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1nc2ccc(Cl)cc2n1C 284411845 DBGYRLUMANLKSS-GUYCJALGSA-N 345.834 2.580 0 50 EFAA COCc1nc(C)cc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 129273927 SOVYZDSSBRJGJE-IUODEOHRSA-N 335.354 2.522 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2cnc[nH]2)CC1 378083953 LFDJPENGQDOIJZ-IBGZPJMESA-N 338.455 2.780 0 50 EFAA C[C@@H](NC(=O)c1nc(C2CC2)nn1C)c1ccc(OC(F)F)cc1 454133327 JABABPFCKRNUGJ-SECBINFHSA-N 336.342 2.785 0 50 EFAA COC(=O)[C@H]1CC12CCN(C(=O)N[C@H]1C[C@H](c3ccccc3)C1)CC2 241316769 LUUFSZSQYLYLRF-BRWVUGGUSA-N 342.439 2.917 0 50 EFAA CCn1ncc2cc(C(=O)Nc3cc(C4CC4)nc(C)n3)c(C)nc21 241316762 LURVVXICQOBKPO-UHFFFAOYSA-N 336.399 2.988 0 50 EFAA COc1ccc(CCC(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cc1 379242115 XIKHXWJRDJMCEI-GXTWGEPZSA-N 330.350 2.508 0 50 EFAA Cc1ccccc1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 241942338 ULRYZHRAHKYHGR-UHFFFAOYSA-N 336.388 2.687 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CCO[C@H](c3cccs3)C2)cc1 263315324 HLYLYMVTTTVYIH-AWEZNQCLSA-N 331.393 2.589 0 50 EFAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1n[nH]c(=O)c2ccccc12 176525530 NHPGIUQXXAFUBO-HIFRSBDPSA-N 333.391 2.941 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)ccn1 91452207 GUDGWOFIPXEJLZ-INIZCTEOSA-N 336.395 2.954 0 50 EFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](CN)C2)cc1 178529161 BDWIOWPSBQIVLS-AWEZNQCLSA-N 325.412 2.860 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)N)cnn1-c1ccc(F)cc1 237452272 MDOWGELZMMYKSC-SJCJKPOMSA-N 330.407 2.662 0 50 EFAA COCC[C@]1(O)CCN(C(=O)CCCc2cccs2)C[C@H]1C 91617063 GUWLJFXVTJZUBN-RHSMWYFYSA-N 325.474 2.707 0 50 EFAA CC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)n1cccn1 91462644 MPSOEQZRMCFZEN-KRWDZBQOSA-N 327.428 2.699 0 50 EFAA O=C(c1cnc2ccccc2c1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91663393 HNWYBUGOYKWHNN-FUHWJXTLSA-N 349.434 2.708 0 50 EFAA Cc1ccc([C@H](C(=O)N(C)CCc2c(C)n[nH]c2C)N(C)C)cc1 95361589 JLLQWBQLWUQHLL-GOSISDBHSA-N 328.460 2.639 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CC34CCNCC4)[C@@H](C)CO2)c1 237704486 LPEZNCXCVFYSNX-UHOSZYNNSA-N 342.483 2.982 0 50 EFAA CCn1ccnc1C1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1 97360065 PPYAJRXMALBDQC-UHFFFAOYSA-N 341.459 2.535 0 50 EFAA Cc1ccccc1[C@@H](CC(=O)NCCS(C)(=O)=O)c1ccccc1 95529723 ZDAICUCBDNHFFQ-SFHVURJKSA-N 345.464 2.678 0 50 EFAA CCc1nc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cs1 91656650 DKCLCFQVLXRURA-RHSMWYFYSA-N 335.517 2.781 0 50 EFAA CCN(CCn1cccn1)C(=O)Nc1ccc(C(=O)OC)cc1C 96180768 LDPLUWKOPFOMFS-UHFFFAOYSA-N 330.388 2.532 0 50 EFAA O=S(=O)(Nc1ccncc1F)c1cccc(OC(F)(F)F)c1 180167044 CXLOKMJSGPBSDD-UHFFFAOYSA-N 336.266 2.920 0 50 EFAA O=C(N[C@H]1C[C@H](c2cc(N3CCCC3)ncn2)C1)c1cc(Cl)c[nH]1 244794512 QOFZUEWJWBECTI-AULYBMBSSA-N 345.834 2.734 0 50 EFAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@H]1Cc2ccccc2CO1 245333814 AWCKGOAGXDNJHN-BZUAXINKSA-N 331.799 2.646 0 50 EFAA COc1ccc2c(c1)N(C(=O)c1cnn(CC(C)C)c1)C[C@H](C)O2 181187716 APNGFJYRGAMLOL-ZDUSSCGKSA-N 329.400 2.975 0 50 EFAA Cc1c(NC(=O)N2CCC[C@@](C)(F)C2)c(=O)n(-c2ccccc2)n1C 296204263 OPTBLALRQLHDFP-GOSISDBHSA-N 346.406 2.840 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)OCCc1ccsc12 526064608 VEDWXQGDQAWZKJ-UHFFFAOYSA-N 345.468 2.721 0 50 EFAA Cc1nnc(CN2CCN(c3nc4ccccc4s3)CC2)s1 271381038 DLPRYIHDLHPCTG-UHFFFAOYSA-N 331.470 2.778 0 50 EFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N1CCCC[C@H]1CO 299776833 DMBNUUQHHCHMEZ-INIZCTEOSA-N 346.406 2.758 0 50 EFAA CN(CCc1cn[nH]c1)C(=O)CC1CCN(Cc2ccccc2)CC1 299781501 VZVMXBBXYQKTIR-UHFFFAOYSA-N 340.471 2.713 0 50 EFAA CC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)c1nc(C)c(C)s1 670452034 SZHAHOMFNCOVLD-NSHDSACASA-N 328.463 2.529 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(c2nc(C)nc(C)c2F)C3)o1 685940809 VYBQSVARFPKZBO-SJCJKPOMSA-N 331.395 2.736 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nc2ccccc2n1C 275313419 ODMMOOJCXSWNFS-KXBFYZLASA-N 339.443 2.543 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2csc3c2CCCC3)o1 275521222 YAQSJUXNLWHWPG-ZDUSSCGKSA-N 333.413 2.532 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 170002939 FQLCTXSDCUGFDW-DKKFBQAASA-N 348.402 2.888 0 50 EFAA COC(=O)N1CCC([C@@H](C)NC(=O)c2cc3ccccn3c2)CC1 187430401 LIMFCQUYZOZSMI-CYBMUJFWSA-N 329.400 2.536 0 50 EFAA O=C([C@H]1CC=CC[C@@H]1c1nc(-c2ccsc2)no1)N1CCOCC1 190130183 HCUIZEYHGWOPME-KBPBESRZSA-N 345.424 2.707 0 50 EFAA O=C(NCCOc1cccc2ccccc12)NC[C@@H]1CC[C@@H](O)C1 190241990 AYWYZNHIOFMYKN-GDBMZVCRSA-N 328.412 2.679 0 50 EFAA COc1ccc(N(Cc2ccccc2)C(=O)C2CN(C(C)=O)C2)cc1 190905406 FJCDECNLNRHNQZ-UHFFFAOYSA-N 338.407 2.707 0 50 EFAA C[C@H]1CN(C2CC2)C[C@H]1N=c1nc(-c2cc(F)cc(F)c2)[nH]s1 645192015 FCKJINFIZINKDM-LKFCYVNXSA-N 336.411 2.800 0 50 EFAA CCn1c(C)cc(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1C 191953257 JYQDQDKCTVUKMH-UHFFFAOYSA-N 345.447 2.594 0 50 EFAA CCC(C)(C)N1CCN(C(=O)NCc2ccc(NC(C)=O)cc2)CC1 654362360 OXPNGTGHPZJJHD-UHFFFAOYSA-N 346.475 2.661 0 50 EFAA COc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 474685 PTWGXESOJMANAQ-JXMROGBWSA-N 345.424 2.814 0 50 EFAA Cc1ccccc1CCC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529180153 BXFYICJENSDWGL-FGTMMUONSA-N 328.456 2.643 0 50 EFAA O=c1c(Br)c(Br)cnn1-c1ccccc1 147973 NQJXEMRMTOSSBQ-UHFFFAOYSA-N 329.979 2.758 0 50 EFAA in-vitro CC1=CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)OCC1 1704343825 ZXKINIWMVXSTQG-UHFFFAOYSA-N 325.412 2.915 0 50 EFAA O=C(NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1)c1cc(C2CC2)n[nH]1 11789530 DIYJNMONPGVCJE-HNNXBMFYSA-N 342.374 2.544 0 50 EFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 12381259 QQBMMSLZGSOFSV-UHFFFAOYSA-N 332.400 2.639 0 50 EFAA CC[C@@H](C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714057 ZRBQMJCJTKJPLP-AWEZNQCLSA-N 344.864 2.507 0 50 EFAA CC[C@H]1CCc2sc(C(=O)NCCCN3CCOCC3)cc2C1 13744358 OZABYSMMAXXOAW-AWEZNQCLSA-N 336.501 2.715 0 50 EFAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)[C@@H]2CCOC2)C3)nc1 15071790 OAIQINUNNHPJCO-HZPDHXFCSA-N 338.407 2.513 0 50 EFAA O=C(COc1cccc(Cl)c1Cl)N1CCC2(CC1)OCCO2 16602738 KQHLXOHKMIDXMZ-UHFFFAOYSA-N 346.210 2.738 0 50 EFAA CN(CCn1ccnc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 1857531772 YCZOHJYSXGPRPG-SWLSCSKDSA-N 336.798 2.873 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225681453 WTZQCWDNZGXVSS-HUUCEWRRSA-N 329.327 2.503 0 50 EFAA Cc1[nH]c2ccc(C(=O)N(C3CC3)[C@@H](C)CS(C)(=O)=O)cc2c1C 113207666 PIRKWCFIIXSWBR-NSHDSACASA-N 348.468 2.822 0 50 EFAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)cc2c1C 640870632 CEDVXMPLTLMBMG-BJZITVGISA-N 341.455 2.502 0 50 EFAA O=C(NC[C@H]1CCOC2(CCC2)C1)c1cncc(Br)c1 333146058 ZVGZDZTWNZQZTE-NSHDSACASA-N 339.233 2.923 0 50 EFAA O=C(CCCOc1cccc2ccccc12)N1C[C@H](F)C[C@@H]1CO 347401436 UQUUIUDXUOLGDC-HZPDHXFCSA-N 331.387 2.930 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(c2ccccc2)CC1 152916222 PRIDHJOTGPFZCP-CQSZACIVSA-N 326.444 2.869 0 50 EFAA CO[C@]1(c2noc(-c3ccccc3N3CCOCC3)n2)CCSC1 903861346 JVKSMUZCIOJXKV-QGZVFWFLSA-N 347.440 2.552 0 50 EFAA CCN1CCN(c2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc2)CC1 915319970 DEAKPBVTCQFGRZ-CRAIPNDOSA-N 346.475 2.518 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(OCCO)cc1 952875982 GJZBQPHRUSMBFM-MRXNPFEDSA-N 333.428 2.669 0 50 EFAA CS(=O)(=O)Nc1cccc(NC(=O)c2cncc3c2CCCC3)c1 1875281431 AQXKYCRORUWUQM-UHFFFAOYSA-N 345.424 2.584 0 50 EFAA CC1(C)CC(=O)c2sc(NC(=O)c3cnc4n3CCS4)nc2C1 1875271429 OGEKZUVDXVETLY-UHFFFAOYSA-N 348.453 2.853 0 50 EFAA Cc1ccc([C@@H]2[C@@H](C)CN2C(=O)c2cccc(-n3cncn3)n2)cc1 1875278615 PSJJATKNPNRLAP-KSSFIOAISA-N 333.395 2.804 0 50 EFAA Cc1nc(CN2CCCN(C[C@H](O)c3cccc(F)c3)CC2)oc1C 1875256194 AZGQEQIGUYYAOK-SFHVURJKSA-N 347.434 2.672 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1cc(CN)c(Cl)s1 1875287720 XJBUHQZDIBVMHB-SECBINFHSA-N 349.843 2.843 0 50 EFAA O=C(Cc1cccnc1)Nc1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1 1875385212 OLVWHLXCYYJLQN-FDDCHVKYSA-N 337.423 2.736 0 50 EFAA Cc1ccc(Oc2ccccc2CNC(=O)C[C@@H]2CCNC2=O)cc1 878755052 ANTGKRPPSMBNFL-HNNXBMFYSA-N 338.407 2.930 0 50 EFAA Cc1nscc1C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 886565558 UTWHBPKDNLTRFH-LBPRGKRZSA-N 330.331 2.934 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(-c3ccccc3F)no2)C1 888079259 PGIFJXTXZAZNFA-BXUZGUMPSA-N 343.362 2.561 0 50 EFAA COc1ccc2[nH]ccc(=N[C@H]3CCCN(c4ncccn4)C3)c2c1 891893218 LGHPEEAFFMMQMV-AWEZNQCLSA-N 335.411 2.536 0 50 EFAA O=C1CC[C@@H](COC(=O)c2cc3c(nc4ccccn43)s2)CCN1 2325751383 JGCZYGDAVJSQPW-LLVKDONJSA-N 343.408 2.622 0 50 EFAA Cn1nc([C@@H]2CCCN2)cc1C(=O)Nc1ccc2[nH]nc(Cl)c2c1 2325820854 REZBBRCXXOITLV-LBPRGKRZSA-N 344.806 2.627 0 50 EFAA C[C@@H]1CC(=O)N(C)c2ccc(NS(=O)(=O)C3(C(F)F)CC3)cc21 2325872925 RTEOHDKSPLGZCJ-SECBINFHSA-N 344.383 2.696 0 50 EFAA O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 110618989 XXWCEVFUUALOIO-VDZJLULYSA-N 338.455 2.794 0 50 EFAA COC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@H](C(=O)OC)CC2 118454 NURRVWPHEUEKEE-MRVPVSSYSA-N 349.364 2.583 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(OC)c1 202287 PIOUVEPWVXDFJF-HNNXBMFYSA-N 346.408 2.518 0 50 EFAA COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br 241658 FUJSLLQDLDHOPK-UHFFFAOYSA-N 334.235 2.679 0 50 EFAA O=C(NC(NC(=O)c1ccco1)c1ccc(F)cc1)c1ccco1 349922 WETYKSSPAVTQMC-UHFFFAOYSA-N 328.299 2.870 0 50 EFAA CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 432104 TUEXAXXRRLPMAZ-UHFFFAOYSA-N 337.379 2.658 0 50 EFAA CCC1=NN(C(=O)COc2ccccc2C)[C@@](O)(c2ccncc2)C1 879395 BYZWRNRVHZBGMA-IBGZPJMESA-N 339.395 2.612 0 50 EFAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1 1461176 UMMCEYMWMCFGEI-LLVKDONJSA-N 327.336 2.907 0 50 EFAA OC1CCN(c2cncc3ncc(-c4cccc(F)c4F)n23)CC1 2356156642 LILOSSHCSBNSOU-UHFFFAOYSA-N 330.338 2.636 0 50 EFAA c1ccc(C2(c3csc(=NC[C@@H]4CCCO4)[nH]3)CCNCC2)cc1 2356169284 YLGBROVOODIVGB-INIZCTEOSA-N 343.496 2.825 0 50 EFAA COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1 6484603 KPCRYSMUMBNTCK-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro CC[C@@H](C)NC(=O)c1ccc(OC)c(I)c1 10120464 MGJPOMFSUGLCSL-MRVPVSSYSA-N 333.169 2.828 0 50 EFAA COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 8205187 SDYWTGKJTKQACA-UHFFFAOYSA-N 342.376 2.822 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 100842509 VDCQPEPOOWUBBH-NXNVCVFFSA-N 337.375 2.731 0 50 EFAA O=C(C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1)c1ccco1 55271924 SYENLGUXVDNIQK-HNNXBMFYSA-N 331.343 2.809 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 248092172 CJPKMEIFJZUODE-RBUKOAKNSA-N 338.455 2.630 0 50 EFAA CCN(C[C@H]1CCCO1)C(=O)c1cc(COc2ccccc2)[nH]n1 67804164 DPONHKZMYMFFIN-MRXNPFEDSA-N 329.400 2.630 0 50 EFAA COc1ccc(/C=C/CN2CCN(c3ncc(Cl)cn3)CC2)cc1 65525703 DSGMSGBQPYGZQR-NSCUHMNNSA-N 344.846 2.974 0 50 EFAA COC(C)(C)C(=O)NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 67758298 GFUCRLIBXDURLP-CQSZACIVSA-N 329.444 2.531 0 50 EFAA C[C@H](NC(=O)Nc1cccc2c1OC(C)(C)C2)c1nnnn1C1CC1 252483366 DZSTUWUEMRTVAB-JTQLQIEISA-N 342.403 2.604 0 50 EFAA CCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)CC 65363252 MKKURHNKFLDYTP-UHFFFAOYSA-N 338.473 2.879 0 50 EFAA C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NCc1ccnc(N2CCOCC2)c1 230190579 HCLSOVLMEAFPOR-HLLBOEOZSA-N 346.475 2.542 0 50 EFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(C(F)(F)F)nc1 363398147 FFWNOVKULVEHSL-GFCCVEGCSA-N 340.305 2.728 0 50 EFAA Cn1c([C@@H]2CCCN2CC(=O)N2CCCCCC2)nc2c1CCCC2 328636914 OIRVXLQHUCMRLK-SFHVURJKSA-N 344.503 2.838 0 50 EFAA Cc1csc([C@H]2CN(C(=O)c3scnc3C3CC3)CCO2)n1 328763014 ZDZAJVORXMPDGA-LLVKDONJSA-N 335.454 2.999 0 50 EFAA CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)s[nH]1 329805653 ASLYHODESAVANT-WDEREUQCSA-N 338.477 2.679 0 50 EFAA CCOc1ccc(CC(=O)N(CC)Cc2ccc3c(c2)OCO3)nc1 328594475 MORRIUVGCRWTET-UHFFFAOYSA-N 342.395 2.800 0 50 EFAA Cc1ccccc1CCNC(=O)c1ccc2c(c1)NC(=O)CCN2C 154980095 UNAJBCZTZQKHAC-UHFFFAOYSA-N 337.423 2.746 0 50 EFAA CCCc1cc(C(=O)NC2(CN3CCCC3)CCCCC2)n(C)n1 77355178 HCXSOKSYYWDINE-UHFFFAOYSA-N 332.492 2.901 0 50 EFAA c1ccc(CCOC2CCN(Cc3cn4cccnc4n3)CC2)cc1 125713048 ZVMIPLWXKQIMJY-UHFFFAOYSA-N 336.439 2.953 0 50 EFAA COc1c(C)cnc(CN2CCC[C@]3(CC2)CN(C)C(=O)O3)c1C 72167959 CSRGRHUDCMULDV-SFHVURJKSA-N 333.432 2.514 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]2C(C)C)(c2ccccc2)CC1 490760440 TXZBIOYFPOZFSR-ZWKOTPCHSA-N 340.467 2.894 0 50 EFAA CC(C)OC[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CCO1 372182506 VINYRJIQRIRGHP-INIZCTEOSA-N 332.375 2.640 0 50 EFAA CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)C1CC(c2ccccc2)C1 372397909 XLTKDYFPCSLTLT-FHERZECASA-N 325.412 2.932 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)n[nH]1 215984664 DQLBEGDNGIHUNL-CQSZACIVSA-N 344.390 2.621 0 50 EFAA CN1Cc2ccccc2[C@@H](NC(=O)c2ccoc2Br)C1 373213972 DPXRPSKUDJEQKH-ZDUSSCGKSA-N 335.201 2.959 0 50 EFAA C[C@H]1Oc2cc(F)ccc2[C@@H]1NS(=O)(=O)Cc1cccc(F)c1 376325265 XICQLWATMJDKSI-QLJPJBMISA-N 339.363 2.906 0 50 EFAA CN(Cc1nccs1)[C@H]1CC12CCN(CCN1CCCCC1)CC2 374846242 PTJHVTXLMNWHES-KRWDZBQOSA-N 348.560 2.915 0 50 EFAA C[C@]1(NC(=O)Nc2c[nH]nc2-c2nccs2)CCO[C@H]1C1CC1 333501063 CTGRTEALWBZCTP-WFASDCNBSA-N 333.417 2.612 0 50 EFAA O=C(Nc1ccc2c(n1)CCC2)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 333957837 ILAKFPSKKQALSE-OXHZDVMGSA-N 326.318 2.865 0 50 EFAA Cc1nc(NCc2noc(-c3cccs3)n2)cc(C2CC(O)C2)n1 218978936 YDEORQWXGGCDJD-UHFFFAOYSA-N 343.412 2.747 0 50 EFAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@H](O)[C@H](CO)C1 334038189 NTBFKEFZWGPNKU-SFQLRQOASA-N 337.504 2.821 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1 237953852 ZAEQECWTDXICHD-MFKMUULPSA-N 329.755 2.538 0 50 EFAA COC[C@H]1CN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)CC(C)(C)O1 285500868 NBXDIBPLDBIFFE-CYBMUJFWSA-N 334.391 2.881 0 50 EFAA CC1(C)[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)[C@H]2CCO[C@H]21 240471692 GDWVJVQOLYWBQW-BDLOOMQFSA-N 348.443 2.691 0 50 EFAA CC(C)n1cc([C@@H]2CN(c3ncc(Cl)cc3F)C[C@H]2CO)cn1 284466053 DFISGBWVASQQJC-JSGCOSHPSA-N 338.814 2.864 0 50 EFAA Cc1cnc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)nc1C 284906256 OWWIMAHDEZUIPN-MAUKXSAKSA-N 340.475 2.855 0 50 EFAA CCCCN1CCCC[C@@H]1C(=O)N1CCCN(CC(F)(F)F)CC1 241160552 JYDOMSWZCDOTOB-OAHLLOKOSA-N 349.441 2.738 0 50 EFAA FC(F)(F)Cc1nnc([C@H]2CCCCN2Cc2cncnc2)o1 286319548 PYKQZUQTVMJWEQ-LLVKDONJSA-N 327.310 2.692 0 50 EFAA Cc1cccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n1 82087947 UJTLJBDPZVNHDW-ZDUSSCGKSA-N 343.814 2.921 0 50 EFAA Cc1cccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 242980561 HQPSKYDPBYJIRA-UHFFFAOYSA-N 341.430 2.573 0 50 EFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)C2 175986177 HHFSOWFMIKCWQK-WNRNVDISSA-N 331.435 2.996 0 50 EFAA COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1OC 17070632 AZICYCATGGLRNW-CYBMUJFWSA-N 335.425 2.884 0 50 EFAA CSc1cccc(NC(=O)CSc2ccc3nnc(C)n3n2)c1 44917458 SCYHCWBBASYDDG-UHFFFAOYSA-N 345.453 2.885 0 50 EFAA O=C([C@H](O)c1ccccc1Cl)N1CCc2[nH]nc(C3CC3)c2C1 220476895 ZQWNRMGHHYCJFZ-MRXNPFEDSA-N 331.803 2.559 0 50 EFAA CC(C)N1C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426511616 HZTHKMXHHMIEGF-GOSISDBHSA-N 343.471 2.510 0 50 EFAA Cc1cc(C)cc(CNC(=O)N(CCCO)Cc2ccncc2)c1 426494679 ULWBPADRCUHEGU-UHFFFAOYSA-N 327.428 2.793 0 50 EFAA Cc1cc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)no1 227143787 MAQKOANEXSEOTI-UHFFFAOYSA-N 337.368 2.772 0 50 EFAA C[C@@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)N1CCOCC1 426544660 FWLRFSLRZNYNKX-NSHDSACASA-N 340.349 2.894 0 50 EFAA O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)[C@H]1CCNC1 161814765 NQKPRTKULHUWPG-ZETCQYMHSA-N 339.169 2.821 0 50 EFAA CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)[nH]1 95383242 RIRJGTIQFGNSHZ-CRAIPNDOSA-N 344.503 2.975 0 50 EFAA Cn1c(-c2ccc3c(c2)OCO3)cn(CC(=O)c2ccccc2)c1=N 334157589 PKKCVDOYYQZIAR-UHFFFAOYSA-N 335.363 2.585 0 50 EFAA OC[C@H]1CN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CN1CCCC1 91665379 ISBMXZNDWMZBHR-IAGOWNOFSA-N 343.446 2.510 0 50 EFAA C[C@H](Cc1ccsc1)NC(=O)c1coc(CN2CCOCC2)c1 97773154 FZDPAWCWYQTDKX-CYBMUJFWSA-N 334.441 2.534 0 50 EFAA FC(F)(F)c1ccnc(N2CCCN(Cc3ccccn3)CC2)n1 91745411 QFUSIOLLIDHBBO-UHFFFAOYSA-N 337.349 2.603 0 50 EFAA Cc1c(F)cccc1CN1CCC2(CCC(=O)N(C[C@H](C)O)C2)CC1 91326602 CJZHCBVERRTXRO-HNNXBMFYSA-N 348.462 2.720 0 50 EFAA CCc1nnc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)o1 95354872 YVNJARNGSYYIDB-DLBZAZTESA-N 326.444 2.728 0 50 EFAA Cc1oc2ccccc2c1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 184044816 XQALUWZKHSGLLE-CQSZACIVSA-N 336.395 2.930 0 50 EFAA O=C(Nc1ccn(CC(F)(F)F)n1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 296984620 HJKHGFZMTVJRSO-FIQHERPVSA-N 326.322 2.731 0 50 EFAA 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O=C(c1ccnc(-c2cc(Cl)c(O)cc2F)c1)N1CCOCC1 1772701905 POKIYRNQIQPYSI-UHFFFAOYSA-N 336.750 2.719 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2ccc(CN(C)C)cc2)CCC1=O 1775976870 ATELKUMSNALXQF-IBGZPJMESA-N 331.504 2.827 0 50 EFAA CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)cc1 11693038 OMJGDTPGLRYAPC-UHFFFAOYSA-N 335.367 2.613 0 50 EFAA COc1cccc(CN2C(=O)CC[C@@H]2CCNCc2cccnc2)c1 12243763 NBSBPMGCUQLNLV-GOSISDBHSA-N 339.439 2.761 0 50 EFAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 18240409 VPTJHNQVMMEJFQ-UHFFFAOYSA-N 340.408 2.600 0 50 EFAA aggregator CC[C@@H](C)[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(=O)O 206412133 JAESXZNGXKCZFC-KZULUSFZSA-N 344.411 2.850 0 50 EFAA NC(=O)CC1CN(C(=O)[C@H]2CCCC[C@@H]2c2cccc(Cl)c2)C1 1857530728 PFFNCMVIVXJKOX-CVEARBPZSA-N 334.847 2.948 0 50 EFAA Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669435 XBUXCEJQDJBNHK-MEDUHNTESA-N 338.791 2.603 0 50 EFAA COc1ccc(N[C@H]2CC(=O)N(c3cccc(O)c3)C2=O)cc1Cl 731357660 MNMUUIBVGKCVMJ-AWEZNQCLSA-N 346.770 2.798 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](CCO)CC1 332280746 RHIDRPPHKAZRDB-CYBMUJFWSA-N 331.865 2.822 0 50 EFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1 241809956 SBWYJOFVOVNLLV-SOUVJXGZSA-N 348.443 2.738 0 50 EFAA COc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1OC 348237895 DJDMAVGJVYENMB-ZBFHGGJFSA-N 345.370 2.791 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 136128754 MYTPETBQOPLFTO-AWEZNQCLSA-N 335.375 2.689 0 50 EFAA CCc1oc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)cc1C 262937596 GLNNLCQJTMNHCL-MRXNPFEDSA-N 329.352 2.641 0 50 EFAA CC(C)(C)c1csc(CNC(=O)[C@H]2COc3ccccc3O2)n1 264171919 KRWSHALWEIXTTC-CYBMUJFWSA-N 332.425 2.897 0 50 EFAA CC(C)[C@H](C(=O)NCc1cccc(C(=O)N(C)C)c1)N1CCCCC1 264265608 KIZGJXADGBKBNO-GOSISDBHSA-N 345.487 2.515 0 50 EFAA Cc1cccc2c1OCC[C@H]2NC1CCN(CCCC(=O)O)CC1 902303143 FZAZRBRVWPAFTB-QGZVFWFLSA-N 332.444 2.737 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](CCC(=O)O)Cc3ccccc32)c(O)n1 902823870 BQEXQZHCBULYTA-ZDUSSCGKSA-N 340.379 2.780 0 50 EFAA Cc1nonc1NC(=O)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 903040196 LLCCJKBLLUXFGU-YJBOKZPZSA-N 326.400 2.619 0 50 EFAA O=C(O)C[C@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(F)(F)F 911153226 CRFXSBWZLFTIDQ-LBPRGKRZSA-N 328.290 2.622 0 50 EFAA Cc1ncsc1CN(C)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 914082462 OEJOSGGVZDVVEO-UKRRQHHQSA-N 340.445 2.908 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)c1cnn2c1CCC2 830547726 OHWMTCBPWSLULI-UHFFFAOYSA-N 335.407 2.964 0 50 EFAA COCc1nccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)n1 931956338 GKSWTWUNADGRHB-AWEZNQCLSA-N 328.372 2.698 0 50 EFAA O=C(c1nnc2ccccc2n1)N1CCN(C2CC2)c2ccc(F)cc21 1262791416 SFOQFWUTIMCXSZ-UHFFFAOYSA-N 349.369 2.793 0 50 EFAA C[C@H](NC(=O)Nc1ccnn1CC1CC1)[C@@H]1C[C@H](C(=O)O)C1(C)C 846798049 XPVNCCAERRWOMG-WCFLWFBJSA-N 334.420 2.550 0 50 EFAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(C)C)C1 1875265045 NETQTNZAMWEARG-MRXNPFEDSA-N 339.505 2.967 0 50 EFAA C=CC(=O)NCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 1875370838 FTGZLUSTENWMQN-UHFFFAOYSA-N 325.368 2.731 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](O)CC3(CCCC3)C2)cc1 1875373488 CKVGDBPYBOTBGI-KRWDZBQOSA-N 342.439 2.603 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1 1875373885 SSZOBXUWWDPECL-UHFFFAOYSA-N 326.318 2.908 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1OCCc2sccc21 881964563 AXXRIHCADVMIRB-INIZCTEOSA-N 347.484 2.803 0 50 EFAA CCO[C@]1(c2nnc(COc3ccc(F)cc3F)o2)CCOC1 886082092 ABFFSISFSYNGNU-OAHLLOKOSA-N 326.299 2.579 0 50 EFAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1coc(-c2ccccn2)n1 886602746 YHIIGFYFSMQEDA-CQSZACIVSA-N 328.416 2.539 0 50 EFAA C[C@H](c1ccc(CN2CCC[C@](O)(C(=O)O)C2)cc1)C(F)(F)F 1775989688 FYBFLKBEDACDCB-IAQYHMDHSA-N 331.334 2.764 0 50 EFAA CSc1nc(=O)n(Cc2ccc(C(=O)c3ccccc3)cc2)[nH]1 2325740885 GMRDVEVYBXHQHI-UHFFFAOYSA-N 325.393 2.573 0 50 EFAA Cn1ncc2ccc(-c3ccc(NC(=O)[C@@H]4CCCNC4)nc3)cc21 2325758941 SDNHJOBECBTMST-MRXNPFEDSA-N 335.411 2.573 0 50 EFAA CC1(C)C[C@H](Nc2cncc(-n3cncn3)n2)CN1Cc1ccccc1 2325784237 LYJZSPQCLVLIOU-INIZCTEOSA-N 349.442 2.522 0 50 EFAA Cc1cc(CN2CCC[C@H](n3cc(C(=O)O)nn3)C2)sc1Cl 2325787548 GTODLTZQFCBYJE-JTQLQIEISA-N 340.836 2.837 0 50 EFAA Cc1ccc(-c2nc(CN3CCNC[C@H]3c3cn[nH]c3)cs2)cc1 2325801087 VMXFZMHWZAJUKH-KRWDZBQOSA-N 339.468 2.988 0 50 EFAA CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 356482 HXNBYFYLVCCHIP-UHFFFAOYSA-N 333.439 2.994 0 50 EFAA CCOC(=O)N1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 757046 STTPZXSMVPMVOI-UHFFFAOYSA-N 335.423 2.569 0 50 EFAA COc1ccc(OC)c([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1 1461175 UMMCEYMWMCFGEI-NSHDSACASA-N 327.336 2.907 0 50 EFAA COC(=O)c1cccc(CN2CCC[C@@]23CCCN(C(C)C)C3=O)c1 2356165323 CLWOEIOPBGHUMO-FQEVSTJZSA-N 344.455 2.839 0 50 EFAA COc1cc2c(cc1-c1cc(C(=O)N3CCCC3)ccn1)OCO2 2356169216 XDAXPDPYHRPHOK-UHFFFAOYSA-N 326.352 2.722 0 50 EFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 6697876 GXDZYHUOTCNVNG-UHFFFAOYSA-N 336.388 2.765 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6700794 RDOJYTBAMLVGJG-AWEZNQCLSA-N 344.411 2.593 0 50 EFAA CC(=O)N1CCC(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 6725632 IGGNMQVJBWJADY-UHFFFAOYSA-N 329.227 2.868 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(C)cc1C 6730892 CGZVJDUKTNWRQH-LBPRGKRZSA-N 334.445 2.632 0 50 EFAA CSCc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)o1 11933184 NYXIALZGZFVYKU-HNNXBMFYSA-N 345.468 2.932 0 50 EFAA CN(C)Cc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 55253321 YICWLRMYDAZPAN-ONEGZZNKSA-N 343.450 2.829 0 50 EFAA Cn1cccc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225507440 GPCIDOGIYDTSCI-ZFWWWQNUSA-N 338.329 2.992 0 50 EFAA COCCCN1CN(Cc2ccccn2)Cn2c1nc1ccccc12 9265016 JEONMAFANRKFGB-UHFFFAOYSA-N 337.427 2.705 0 50 EFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)c1 249954992 JBOWUADOBQCVDQ-INMHGKMJSA-N 346.471 2.998 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc1C 104306232 BQMUIBJMQMUHIY-GOSISDBHSA-N 334.504 2.918 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)cc1 100290920 NVMITRIIMPYSMB-UHFFFAOYSA-N 345.395 2.753 0 50 EFAA Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NS(C)(=O)=O 10371972 VVKWFWKEOIOHEV-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA COc1cccc(C[C@@H]2CN(Cc3nc(C)c(C)nc3C)CCO2)c1 20323750 YWDQQXPCQSXZKX-LJQANCHMSA-N 341.455 2.854 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)C)[C@@H](CCO)C1 20450716 MJVNDVXZNNRLMJ-SFHVURJKSA-N 336.524 2.605 0 50 EFAA C[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C)[C@H]1CCCO1 248903926 XACIOAZSHVXVHS-APHBMKBZSA-N 346.406 2.515 0 50 EFAA CNc1ccnc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n1 67955290 KOBWUSPCTKFHOG-SFHVURJKSA-N 348.397 2.618 0 50 EFAA CC[C@@H](C)N(Cc1ccncc1)C(=O)CNC(=O)c1ccccc1 63847981 DHSAICTVZDTZIH-OAHLLOKOSA-N 325.412 2.639 0 50 EFAA Cn1cc(C(=O)Nc2nnc(C(C)(C)C)s2)c2ccccc2c1=O 61718088 DFXXOHIITKCSEF-UHFFFAOYSA-N 342.424 2.940 0 50 EFAA COc1ccc(CCC(=O)Nc2cccc3c2C(=O)NC3)cc1OC 119428881 QYPMGCHMNOIEFL-UHFFFAOYSA-N 340.379 2.519 0 50 EFAA Cc1ccccc1C[C@H](CO)NC(=O)Cc1c[nH]c2ccc(F)cc12 252491276 LKNGUDDSCYEZKE-QGZVFWFLSA-N 340.398 2.878 0 50 EFAA O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(N2CCCCC2)cc1 93205 YEUTYYGFORPGTO-SFHVURJKSA-N 341.455 2.795 0 50 EFAA CCOc1nc(C)ccc1C(=O)NCc1ccc(N2CCCC2)nc1 252500407 SUXBCOUWUAJTJE-UHFFFAOYSA-N 340.427 2.714 0 50 EFAA CN(C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)C1 252550180 SEBOIUOYPPPNPL-MLHJIOFPSA-N 337.508 2.584 0 50 EFAA COc1ccccc1OCCC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 229712498 JVBYRXOVLWJEGR-HZPDHXFCSA-N 334.460 2.701 0 50 EFAA CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cnc2cccc(C)n12 425364740 HKZACJLSCKWKKN-LJQANCHMSA-N 348.450 2.706 0 50 EFAA O=C([C@H]1CCCNC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 122109981 INPWSENWROCDNB-FUHWJXTLSA-N 344.480 2.810 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2nc1O 253585477 AFZRHTYCYXDYDA-MAZHCROVSA-N 340.379 2.798 0 50 EFAA Cc1csc(=O)n1CC(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 151501139 UKCRGASUZXWLJJ-KXBFYZLASA-N 342.464 2.629 0 50 EFAA CS(=O)(=O)CC(=O)c1c(O)c2ccccc2n1-c1ccccc1 39240055 GUPZYVBSLKCLQK-UHFFFAOYSA-N 329.377 2.563 0 50 EFAA Cc1cc(N2CCC(N3CCSCC3)CC2)n2nc(C)c(C)c2n1 72475395 IQITUHHOPZIKPC-UHFFFAOYSA-N 345.516 2.672 0 50 EFAA C[C@](CO)(NC(=O)Nc1ccc2c(c1)OCCO2)C1CCCCC1 172683775 HZRVKWJHSWIAKD-GOSISDBHSA-N 334.416 2.911 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCOC[C@H]2c2ccccc2)cc1 262470154 ZTIYGFNOSTZARL-SFHVURJKSA-N 339.391 2.918 0 50 EFAA CC[C@@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 237053717 KAIOJYSKHPTJML-BMGYJQCNSA-N 344.411 2.538 0 50 EFAA O=C(c1cc2n(n1)CCCC2)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 333520662 VXAZKXOKVBGKBU-IAGOWNOFSA-N 345.830 2.821 0 50 EFAA CO[C@@H]1C[C@@H](NC2CCN(c3cc(C)nc(C)n3)CC2)C12CCC2 333827620 KXWLZRCIADVRMS-IAGOWNOFSA-N 330.476 2.609 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)/C=C/c1csc(Br)c1 237612763 MNWCWFCPNQMTMN-CWVBBZIGSA-N 329.263 2.862 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ncnc3ccsc23)C1 378535860 BAGDWLCXVKOEQX-NSHDSACASA-N 342.428 2.757 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2cc(F)cc(F)c2)C1 284592622 KHBJTIWEFFBQEW-CABCVRRESA-N 334.370 2.922 0 50 EFAA O=C(NCC1(N2CCCC2)CCCC1)[C@@H](O)c1ccc(Cl)cc1 222845190 FLPVDTDJWYRMFC-INIZCTEOSA-N 336.863 2.898 0 50 EFAA CCc1ccc(-c2ccc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)o2)cc1 287138128 YUADJBZKGGNABJ-KGLIPLIRSA-N 330.359 2.547 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225682849 ONARLWFCVQXVCO-XJKSGUPXSA-N 325.343 2.650 0 50 EFAA Cc1ccc(CCC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)s1 289644162 CZJMIUNBRVKBMX-OAHLLOKOSA-N 336.501 3.000 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)c1cc([C@H]2CCOC2)ncn1 426722398 HMVFHPAXZDCZMJ-ZDUSSCGKSA-N 329.404 2.658 0 50 EFAA C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)n(C)n1)C(C)(C)C 20617481 XRCLOSFCBFNGLE-NWDGAFQWSA-N 336.480 2.749 0 50 EFAA C[C@H]1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC12CCCCC2 290306880 BUEASLHRZRJXIJ-LBPRGKRZSA-N 328.416 2.684 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCC[C@H]3CCCN3C)cc2)cn1 426739846 SVAAACGGLJWQTD-GOSISDBHSA-N 339.439 2.971 0 50 EFAA Cc1ccc2cccc(OCCn3cc(-c4cncnc4)nn3)c2n1 95387896 BCSOPOGQGQCUOY-UHFFFAOYSA-N 332.367 2.671 0 50 EFAA Cc1ccc(C)c2c(=O)cc(CNCC3(Cn4ccnc4)CC3)[nH]c12 91830376 AWUXPBKAYJIVOE-UHFFFAOYSA-N 336.439 2.911 0 50 EFAA CCn1cc(NC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cn1 97436945 CCBRFNSRMMDPGZ-MRXNPFEDSA-N 341.459 2.822 0 50 EFAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F 237577273 GHNVFDJZZOSTQQ-CMPLNLGQSA-N 336.379 2.596 0 50 EFAA COc1nc2c(cc1C(=O)N1CCCC[C@H]1c1ccn(C)n1)CCC2 91364843 ZYWBAPLCMQZSJL-KRWDZBQOSA-N 340.427 2.680 0 50 EFAA C[C@@H]1c2ccccc2CCN1C(=O)c1csc(S(C)(=O)=O)c1 179831764 ATGYTMDRQLTQJD-LLVKDONJSA-N 335.450 2.911 0 50 EFAA CCN1CCc2ncnc(N3C[C@@H]4CCN(c5ccccc5)[C@H]4C3)c2C1 240934390 JBTCFROBWLHTFP-JXFKEZNVSA-N 349.482 2.570 0 50 EFAA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 244691883 JKTTVSAZJTVIHQ-MRXNPFEDSA-N 349.862 2.681 0 50 EFAA Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1C 244716082 LHXUIDYZMAKLRH-KRWDZBQOSA-N 343.471 2.576 0 50 EFAA CC1(C(=O)N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)COC1 584902971 MTEOAURXEUWZFY-OAQYLSRUSA-N 342.483 2.928 0 50 EFAA CCCc1ncncc1C(=O)NCc1ccc(-n2ccnc2C)cc1 584890001 OTNYYGBSBDOMEW-UHFFFAOYSA-N 335.411 2.853 0 50 EFAA O=C(NCCCn1cnc2ccccc21)N[C@H]1CCOC2(CCC2)C1 269045210 FIYPTZJUCHJVJQ-HNNXBMFYSA-N 342.443 2.827 0 50 EFAA O[C@@H](C[C@@H]1COCCN1c1nc(C2CC2)ns1)c1cccs1 301547782 FOJFHSIBQQSPEV-NEPJUHHUSA-N 337.470 2.806 0 50 EFAA COC[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C 277109317 RHYSFGLNBDPIMM-QMMMGPOBSA-N 344.205 2.765 0 50 EFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCC2)C1 170653258 TUADLELGQVSNMV-MGPQQGTHSA-N 334.489 2.729 0 50 EFAA CCOC[C@H](NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C 170608891 VDHMHHXORPABKL-INIZCTEOSA-N 330.432 2.675 0 50 EFAA COc1cccc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)c1O 187217672 FPTRARYALIDIOM-UHFFFAOYSA-N 338.367 2.963 0 50 EFAA COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccco2)c1 188573144 CPJBCMLCLOYIIP-CQSZACIVSA-N 337.397 2.823 0 50 EFAA O=C(O)c1cccc2c1CN(C(=O)[C@@H]1OCCc3ccccc31)CC2 649258340 QGHFEACVDPNREO-GOSISDBHSA-N 337.375 2.584 0 50 EFAA CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)nn1 194981943 GQTQBKOFVZFIHM-UHFFFAOYSA-N 345.783 2.857 0 50 EFAA Cc1nc2ccc(NC(=O)C[C@@H](C)N3CCc4ccccc43)cn2n1 655047400 FPWBMYREFZCPOS-CYBMUJFWSA-N 335.411 2.818 0 50 EFAA c1csc(CN2CCCN(Cc3cccc4nonc34)CC2)c1 1506403204 SHPBEXBGHVCJON-UHFFFAOYSA-N 328.441 2.992 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cnc(O)c(Cl)c1 1506419837 YEAYHZOKBOGESN-UHFFFAOYSA-N 334.738 2.728 0 50 EFAA O=C(c1cncc(NCCn2ccc3ccccc32)n1)N1CCCC1 1529158702 JUVGLIRONYCXOM-UHFFFAOYSA-N 335.411 2.779 0 50 EFAA CO[C@@H](C(=O)N1CCCN(C2CCSCC2)CC1)c1ccccc1 1704355923 YCEDLVCZKFUNDQ-GOSISDBHSA-N 348.512 2.804 0 50 EFAA CC[C@]12C[C@H]1CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1772805928 RPTHFOQGWXLCQK-KBXCAEBGSA-N 326.400 2.713 0 50 EFAA O=C(NC[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc(F)cc1 12313731 PEHIINMZAKQJAV-ZDUSSCGKSA-N 330.359 2.701 0 50 EFAA CCCCNCc1ccc(OC[C@H](O)CN(C)C(C)C)c(OC)c1 12593907 ZYSXTOLCVMNHMV-QGZVFWFLSA-N 338.492 2.665 0 50 EFAA COc1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1 16577676 SPNAGBWCDILIQE-UHFFFAOYSA-N 325.817 2.968 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)s1 19225136 NZEVGRHVHLOISI-KRWDZBQOSA-N 349.475 2.659 0 50 EFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@H]2C(N)=O)cc1F 19146318 UHFLFWOGXJEHRZ-SFHVURJKSA-N 340.398 2.815 0 50 EFAA CNC(=O)c1cnc(C=Cc2cccc(O[C@@H](C)C(=O)O)c2)s1 1857532631 WHJDBVKSOPLSTG-JTQLQIEISA-N 332.381 2.525 0 50 EFAA Cc1c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)nc2ccccn12 1857711413 XZLQEGFNJJEWKX-SFHVURJKSA-N 348.450 2.771 0 50 EFAA O=C(Nc1nccc(-c2ccccn2)n1)c1cccc(-n2cccn2)c1 1875241832 FPOIGTRUQDVDGW-UHFFFAOYSA-N 342.362 2.977 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(CCCn1cccn1)CC2 1875249734 VFDVJJHAXKVUIW-UHFFFAOYSA-N 335.455 2.775 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1 120417283 HFQIDGHSCXPIFK-NHYWBVRUSA-N 332.787 2.631 0 50 EFAA O=C1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)N1 126651064 BXXLPRYITJUAKL-OAHLLOKOSA-N 334.847 2.937 0 50 EFAA COc1cc(CCNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1F 127833071 ZKUZCRBHBYQHHQ-GDBMZVCRSA-N 336.407 2.634 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCOc1cccc(Cl)c1 345788545 DCDPMUJKSJYHLO-BRWVUGGUSA-N 325.836 2.581 0 50 EFAA C[C@H]1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1 19792106 FDLNQLMGCVOTAT-LBPRGKRZSA-N 332.473 2.560 0 50 EFAA O=C(NCc1ccc(Cl)s1)N[C@@H]1CCO[C@]2(CCOC2)C1 253422905 IDHFZHPWSSRVST-QMTHXVAHSA-N 330.837 2.539 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2conc2C2CC2)C1 378137390 NGBFBOYZGWHDLO-ZDUSSCGKSA-N 331.372 2.588 0 50 EFAA CCn1nc(C)nc1N1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 900250628 XNCMSENKMXOSKQ-INIZCTEOSA-N 347.806 2.622 0 50 EFAA CS(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 904369824 DTLFJCYDOKMZFJ-GFCCVEGCSA-N 343.355 2.501 0 50 EFAA CCN(CC(F)F)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 907112547 NYOQFQZGEWMRDB-UHFFFAOYSA-N 346.399 2.582 0 50 EFAA CCc1cc(CC(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)n(C)n1 821843145 DAKWFHQKTUOZNN-KOMQPUFPSA-N 327.428 2.596 0 50 EFAA CCn1ccc(CNC(=O)NC[C@H](O)c2ccc3ccccc3c2)n1 840398561 FJAIZUHVGHGABK-SFHVURJKSA-N 338.411 2.589 0 50 EFAA C[C@H](NC(=O)C1(O)CCOCC1)c1cc(Cl)cc(Cl)c1F 830388412 UJSLZPCYCWLRAO-QMMMGPOBSA-N 336.190 2.851 0 50 EFAA O=C(Cc1cn2cc(F)ccc2n1)NCc1nc2c(s1)CCCC2 865120159 UWNSGNWAYMTZOP-UHFFFAOYSA-N 344.415 2.668 0 50 EFAA CC[C@@](O)(Cn1ncc2ncc(Br)cc21)C(F)(F)F 1875279280 LDMBDTXYSMIYSO-SNVBAGLBSA-N 338.127 2.897 0 50 EFAA Cc1cc(Oc2ccc(C(=O)NS(C)(=O)=O)cn2)ccc1C(C)C 1875391115 PCZMZGLFIMEBHZ-UHFFFAOYSA-N 348.424 2.995 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)ccc1-n1cncn1 885843772 AUVQMIDQQWWAIU-HNNXBMFYSA-N 342.443 2.899 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(CCc2ccccn2)C1 886097042 JMZRYJBBQYKDDN-MJGOQNOKSA-N 349.438 2.871 0 50 EFAA O=C(c1cccc(Oc2cnccn2)c1)N1CCOC[C@H]1CC1CC1 886463977 LZEQISJZCLDHGE-MRXNPFEDSA-N 339.395 2.910 0 50 EFAA C[C@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1cccn1 1775992441 SMVYXDOXPMPDGA-CVEARBPZSA-N 336.480 2.898 0 50 EFAA O=C1NCCCc2occ(C(=O)N3CC(c4ccc(Cl)cc4)C3)c21 899155007 NCLKOTFHDYBDHL-UHFFFAOYSA-N 344.798 2.849 0 50 EFAA NC[C@@H]1Cc2cc(F)ccc2N(Cc2nc(-c3ccoc3)no2)C1 2325762504 SDWVVIGBHJSCKE-NSHDSACASA-N 328.347 2.606 0 50 EFAA Fc1ccc(C[C@H]2CN(c3nc4ncccc4s3)CCN2)cc1 2325805045 LAYYOEBAZVZBSQ-AWEZNQCLSA-N 328.416 2.851 0 50 EFAA CC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](c2cn(CC(F)(F)F)nn2)C1 2325826847 OHNIHSCFHHYMNW-UPJWGTAASA-N 344.381 2.983 0 50 EFAA Cc1nn(Cc2ccccc2)cc1CN1CCNC(=O)c2ccccc21 2325841146 FZPPXWYNNDMEDZ-UHFFFAOYSA-N 346.434 2.990 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2cncc3nc[nH]c23)N2CCCC2)cc1 895983760 ZDSJXZCMTCNDDL-GOSISDBHSA-N 349.438 2.833 0 50 EFAA Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1C 462976 XRNIJARUAYQRKT-UHFFFAOYSA-N 327.409 2.529 0 50 EFAA COc1ccc(N2C[C@H](NC(=O)C3CCCCC3)CC2=O)cc1OC 4497645 PXELJAGVIBUAJG-CQSZACIVSA-N 346.427 2.506 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 4537725 WWEXBFRWZHRCLU-UHFFFAOYSA-N 348.424 2.636 0 50 EFAA Cc1[nH]c2nc(NCc3ccccc3)nn2c(=O)c1Cc1ccccc1 100999008 AYJCMPYLHGLWOW-UHFFFAOYSA-N 345.406 2.929 0 50 EFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)c1 8355199 XZJJNYXDOUZOOY-GFCCVEGCSA-N 343.379 2.966 0 50 EFAA CC(=O)Nc1ccccc1C(=O)C(=O)NCCc1c[nH]c2ccccc12 9484428 QKXKGADFUHGXJS-UHFFFAOYSA-N 349.390 2.668 0 50 EFAA biogenic Cc1cc(-n2c(C)cc(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)c2C)no1 135971389 ZBKPCVIYTAICHS-KBPBESRZSA-N 329.400 2.518 0 50 EFAA O=S(=O)(c1ccccn1)N1CCC[C@@H]1Cc1cc(F)ccc1F 416655618 WMCHZAYCGOJQGB-CQSZACIVSA-N 338.379 2.756 0 50 EFAA CCc1oc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1CN(CC)CC 55387083 NKDDBQDQNZLUFO-HNNXBMFYSA-N 349.475 2.554 0 50 EFAA O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H](Cn2cncn2)C1 280498011 WGZWYBAFNQUOGZ-AWEZNQCLSA-N 336.395 2.689 0 50 EFAA COc1ccc([C@H]2N(c3ccccn3)C(=O)[C@H]3CCCN32)c(OC)c1 58046598 QBGZKSGQXDDVIG-CRAIPNDOSA-N 339.395 2.609 0 50 EFAA O=C(c1ccccc1)N1CCN(C(=O)c2cccc3c2NCCC3)CC1 55414753 DAYJUBJYKJVKOM-UHFFFAOYSA-N 349.434 2.643 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N([C@@H](C)CCc2cccc(F)c2)C1 344017159 RYSZWUSFDRFZME-XKQJLSEDSA-N 332.423 2.737 0 50 EFAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1 101697188 HNMMYPUHBXOBSQ-DPDCMNJDSA-N 346.814 2.700 0 50 EFAA O=C(c1ccccc1-n1cccn1)N1CCN(Cc2ccccc2)CC1 20600384 ZLAXVRXCTUNXNT-UHFFFAOYSA-N 346.434 2.830 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 65372771 PSUKVNMFQSCLRH-UHFFFAOYSA-N 331.464 2.649 0 50 EFAA CC(C)C[C@H](NC(=O)C(C)(C)C)c1nc(-c2ccn(C)c(=O)c2)no1 351252652 ATQZGJCEXRGHBJ-ZDUSSCGKSA-N 346.431 2.685 0 50 EFAA O=C(Nc1ccccc1-n1ccnn1)c1cccc(N2CCCC2=O)c1 123974741 JNPKZJJCOAXJJV-UHFFFAOYSA-N 347.378 2.646 0 50 EFAA COc1ccc2c(CC(=O)N[C@@H]3CCN4CCCC[C@@H]34)coc2c1 229384313 CMSHPWLCAQUKBC-SJORKVTESA-N 328.412 2.727 0 50 EFAA Cc1cccc(CNC(=O)NC[C@@H]2CCN(Cc3ccncc3)C2)c1 67851606 FZSXSUIRWIREEH-IBGZPJMESA-N 338.455 2.711 0 50 EFAA CCOC(=O)c1csc(Nc2nc(O)cc(C(F)(F)F)n2)n1 1384556 FGCIEPXUDMOZHU-UHFFFAOYSA-N 334.279 2.578 0 50 EFAA Cn1c(CO)cnc1SCC(=O)c1ccc(Br)cc1 1388434 XKRWVEKRDJDNNK-UHFFFAOYSA-N 341.230 2.650 0 50 EFAA CC1(C)[C@H](NCc2ccc(CS(C)(=O)=O)cc2)[C@@H]2CCCO[C@H]21 230209527 JAOQUUVZCJWLBB-GVDBMIGSSA-N 337.485 2.524 0 50 EFAA Cc1nccn1CCC(=O)Nc1nn(C)c2cccc(OC(C)C)c12 72410770 QLEKICJPMLUKDP-UHFFFAOYSA-N 341.415 2.894 0 50 EFAA O=C(Cc1ccsc1)N1CCN(c2ncnc3ccccc23)CC1 72435966 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2.991 0 50 EFAA N=C(O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)C[C@H]1C(F)(F)F 333386740 LGTQEVQFXXGFDZ-NNYUYHANSA-N 333.354 2.778 0 50 EFAA C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)cc1 262343355 XMSQFAYJYHWSLE-SUMWQHHRSA-N 325.364 2.987 0 50 EFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CN1CC1CC1 77489201 NYYUIUOSNMNUHF-HXUWFJFHSA-N 342.439 2.647 0 50 EFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1C(=O)O 237340365 PBZPLYUUDXXZLP-GWCFXTLKSA-N 329.318 2.960 0 50 EFAA CCc1nc(C)sc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 71748090 NJAOAVBQSPJBRA-LBPRGKRZSA-N 335.473 2.535 0 50 EFAA CC[C@@](CNC(=O)c1noc2c1CCCC2)(C(=O)O)c1ccccc1 263005522 NDSWEWBRQZMEBQ-IBGZPJMESA-N 342.395 2.716 0 50 EFAA O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 240412646 FNOBZFOGMDIPEZ-LMLFDSFASA-N 325.767 2.952 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 222381130 KRPNLBBQACTOQA-QZTJIDSGSA-N 332.444 2.601 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2ccc3c(c2)OCCCO3)n(C)n1 82106334 MUSPRIBVIWXROE-UHFFFAOYSA-N 343.427 2.710 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)NC(C2CC2)C2CC2)CC1 426383776 IKQQWDIFQGRBHH-UHFFFAOYSA-N 328.460 2.800 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C1CCN(c2ncccn2)CC1 95524976 PFHRUYRAMOLWLR-UHFFFAOYSA-N 340.406 2.593 0 50 EFAA COc1cccc(-c2cc(C(=O)NCCC[C@@H]3CCOC3)[nH]n2)c1 91381156 IAKPNNZEGWEEQT-CYBMUJFWSA-N 329.400 2.632 0 50 EFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cnnc3)nc2)C1 91706864 GTUDUAXLDCDESC-FQEVSTJZSA-N 347.422 2.856 0 50 EFAA COc1ccccc1-c1ncc(CN(C)[C@H](C)C(=O)N(C)C)s1 230555867 POKSLKCUSTWLBB-GFCCVEGCSA-N 333.457 2.727 0 50 EFAA CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1n[nH]c2ccccc12 180977074 RIVBLQMZKOOVTN-UHFFFAOYSA-N 340.349 2.662 0 50 EFAA O=C(CCN1CCC[C@@H](c2ncc[nH]2)C1)NCc1cccc(Cl)c1 244794618 QQIDFHASOUHXAZ-OAHLLOKOSA-N 346.862 2.949 0 50 EFAA O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCCCC1 263618067 RCOFYDVQCMSMFR-OAHLLOKOSA-N 346.818 2.829 0 50 EFAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1[nH]nnc1C 1940197550 YPAGMZHEPURSQO-UHFFFAOYSA-N 330.779 2.572 0 50 EFAA 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2.957 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 527418 ZNUUBOZZZCFHNS-UHFFFAOYSA-N 343.387 2.747 0 50 EFAA CN1CCN(c2cccc(Nc3ccc(Cn4ccnc4)cn3)c2)C1=O 2356143760 VYDFDRZILIQPTJ-UHFFFAOYSA-N 348.410 2.942 0 50 EFAA CCCn1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(C)n1 2356165574 JSWIVLBUDZLRRA-FUHWJXTLSA-N 327.428 2.592 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OCC 2868616 HHMFJERVGVDQFB-OAHLLOKOSA-N 348.399 2.627 0 50 EFAA CCOc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1N 4984580 LDAGBINPQGOMDR-UHFFFAOYSA-N 341.346 2.640 0 50 EFAA Cc1cc(C(=O)NCCCc2ccccc2)ccc1NS(C)(=O)=O 10110334 FPILSBYLYPDSSQ-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nncn2-c2ccccc2)C1 225530647 JQASUGPXOWJNTF-MSOLQXFVSA-N 338.386 2.714 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)N1CCCC[C@H]1C 246709277 KEAKVPZMQPVMBJ-DQTJMLIDSA-N 340.467 2.796 0 50 EFAA COC[C@@H](NC(=O)c1cc2cc(C)ccc2nc1C)c1ccnn1C 55182520 FQWGXNKWIRZINA-QGZVFWFLSA-N 338.411 2.703 0 50 EFAA COc1ncc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(OC)n1 67982397 IFAHQZMHHVADQX-ZDUSSCGKSA-N 329.400 2.554 0 50 EFAA Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ncc(C)c(N(C)C)n1 65528247 BYYUAZWWXAWNJF-LBPRGKRZSA-N 331.395 2.738 0 50 EFAA Cc1ccn(C(=O)COC[C@@H]2CCOC2)/c(=N/C2CCCCC2)c1 117589222 SKTKUGRDXCEANP-IGGDJGDASA-N 332.444 2.723 0 50 EFAA CC[C@@H](NC(=O)CC(=O)Nc1cc(C)cc(C)c1)c1ccnn1C 65532285 DLLVKPDHEIKZGH-OAHLLOKOSA-N 328.416 2.633 0 50 EFAA Cn1nc(CC(=O)Nc2ccc3c(c2F)CCNC3)c2ccccc21 423625021 CJRSBLYCBOMZMZ-UHFFFAOYSA-N 338.386 2.539 0 50 EFAA Cc1ccc(S(=O)(=O)[C@H](C)C(=O)c2ccc3c(c2)OCCO3)cc1 1117120 HHJPMZXEIMADTJ-CYBMUJFWSA-N 346.404 2.811 0 50 EFAA COc1ccc(C(=O)N2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)o1 72436666 PQNMBIHGONKHID-CYBMUJFWSA-N 329.352 2.691 0 50 EFAA CC1(C)[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@@H]2CCCO[C@H]21 230130152 SFHGBLIWDNMQFF-CYZMBNFOSA-N 344.381 2.701 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2C)C1 123171227 PNIDWALQBQULEI-INIZCTEOSA-N 345.491 2.938 0 50 EFAA CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC12CCOCC2 253415036 HGUYADXQBIXXMU-CYBMUJFWSA-N 348.468 2.622 0 50 EFAA Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cncnc1N(C)C 150705682 QSITXYYWKGGHPB-UHFFFAOYSA-N 341.346 2.897 0 50 EFAA COc1ccc(F)c(F)c1CN1CCCC[C@@H]1CCNC(C)=O 77378161 LKQUWKPKGSHTBM-CYBMUJFWSA-N 326.387 2.854 0 50 EFAA CCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 72159001 IMVMUBQALJUYCX-GOSISDBHSA-N 340.423 2.718 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3nc(C)oc3C)CC2)OC1=O 77486646 ARZOINWCSXEVRZ-LBPRGKRZSA-N 349.431 2.907 0 50 EFAA Cc1cc(O)c(C(C)C)cc1C(=O)NC[C@H](CO)c1cccnc1 436735774 NECNIWFTEACIML-OAHLLOKOSA-N 328.412 2.725 0 50 EFAA C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1cccnc1S 155243368 ZPVBOFJSSXHCNQ-LBPRGKRZSA-N 330.409 2.622 0 50 EFAA CC(=O)c1cc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)cs1 216499970 YVWBEVUUBUCLFM-MRXNPFEDSA-N 332.400 2.763 0 50 EFAA CCc1oc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1C(=O)O 367178901 CLTCHXBBWBJDLW-CYBMUJFWSA-N 329.352 2.834 0 50 EFAA O=C(O)C1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 238102322 NURZMKNIHMAACW-UHFFFAOYSA-N 345.317 2.841 0 50 EFAA O=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1cccs1)C[C@H]1CCCO1 125676486 NBXYFXKFPNEDRB-UKRRQHHQSA-N 345.468 2.784 0 50 EFAA O=C(Nc1ccncc1F)[C@H]1CCCN1c1ncnc2sccc12 156490071 KXQWBDMJDVEPCP-CYBMUJFWSA-N 343.387 2.833 0 50 EFAA O=C(c1ccoc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1 72412489 DRDZOSSLUNSDOZ-UHFFFAOYSA-N 333.315 2.557 0 50 EFAA CCCn1ccnc1CN1CCO[C@H](Cc2cccc(OC)c2)C1 71745643 WGVCAVPKEZKTHW-GOSISDBHSA-N 329.444 2.745 0 50 EFAA CC(=O)N[C@@H](C(=O)N1CC(Cc2ccccc2F)C1)C1CCCC1 370310957 UOGCRBUXMIYPEZ-GOSISDBHSA-N 332.419 2.522 0 50 EFAA Cc1nc2n(c1C)CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2 370938100 WVUWTSDRIHFLLJ-SFHVURJKSA-N 338.455 2.507 0 50 EFAA Cc1cnn(C[C@@H]2CN(C(=O)NCC3(CC(C)C)CCC3)CCO2)c1 128014036 IXCQNIPKCJJJDN-KRWDZBQOSA-N 348.491 2.818 0 50 EFAA CC(C)[C@@](C)(CO)NC(=O)NCC1CCN(Cc2ccccc2)CC1 378068334 KJGNOZLABJCEBR-HXUWFJFHSA-N 347.503 2.605 0 50 EFAA O=S(=O)(Nc1cccc2c1OCCC2)c1c[nH]c2ncccc12 241446995 NQIJZMISGKTKOT-UHFFFAOYSA-N 329.381 2.689 0 50 EFAA Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 241738597 QYVDDEUOMMIXDZ-ONERCXAPSA-N 346.381 2.931 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CC(c1ccccc1)c1ccccc1 286815234 LBDCNOSLTRZVBW-AEFFLSMTSA-N 340.398 2.633 0 50 EFAA Oc1nc(NCc2nc(-c3ccccc3)cs2)nc2c1CCNC2 82120120 ORYZSYNEESOMMS-UHFFFAOYSA-N 339.424 2.564 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc2cccnc12 220354428 XWTSWLRBGLKNPM-INIZCTEOSA-N 325.412 2.708 0 50 EFAA Cn1ncc(NC(=O)N2CC[C@@H](O)C(C)(C)C2)c1-c1ccccc1 288810505 FZLCUWBYDUFNBS-OAHLLOKOSA-N 328.416 2.712 0 50 EFAA CNCCN(C)C(=O)c1ccc(-c2ccc(C(=O)OC)cc2C)cc1 426376579 VROZQDGKKQCEAL-UHFFFAOYSA-N 340.423 2.740 0 50 EFAA CN1CC[C@H](N(C)CCC(=O)NCc2ccc3sccc3c2)C1 426647894 HSHVWTRTKCCKQB-INIZCTEOSA-N 331.485 2.544 0 50 EFAA COc1ccc(C(=O)N[C@H]2CCCc3sc(C)nc32)c(OC)n1 222717211 HJOLXGWZOORHOX-NSHDSACASA-N 333.413 2.671 0 50 EFAA Cc1nc(N)sc1C(=O)N[C@H](C)c1ccccc1-n1cccn1 221407887 WXMQSANKLZRWFJ-SNVBAGLBSA-N 327.413 2.710 0 50 EFAA O=C(CCc1cccnc1)NC1CCN(c2ccccc2F)CC1 220737379 NLWBLCFKSAVOEO-UHFFFAOYSA-N 327.403 2.939 0 50 EFAA Cc1ccc2[nH]c(CN3CC(N4CCCC[C@H]4C)C3)cc(=O)c2c1 91475604 ZZNBGDNTYVMBLV-OAHLLOKOSA-N 325.456 2.895 0 50 EFAA O=C(CCCN1CCCC1=O)NCc1cccc(C(F)(F)F)c1F 97815382 SHWBJMSCDODVCB-UHFFFAOYSA-N 346.324 2.863 0 50 EFAA COc1cc([C@@H](C(=O)O)N2CCSCC2)cc(C(F)(F)F)c1 95361795 OIWMYWCILUNONI-LBPRGKRZSA-N 335.347 2.889 0 50 EFAA C[C@@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1nc[nH]n1 180647406 VEMZIQRVVFWSNS-SECBINFHSA-N 336.346 2.566 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2cccc(OC)c2OC(F)F)C1 293072932 QUEANISYYLTQBN-KRWDZBQOSA-N 343.370 2.921 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1c(C)nc2cc(C)ccn12 97784932 WIFYUAQUEBYFKZ-INIZCTEOSA-N 338.411 2.806 0 50 EFAA O=C(c1cc2c(s1)CCCC2)N1CCCO[C@@H](Cn2cccn2)C1 91768905 FFLAEAIYPRRDNY-OAHLLOKOSA-N 345.468 2.755 0 50 EFAA O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239338670 KXJOPPHFFLVPIZ-MKXGPGLRSA-N 349.386 2.870 0 50 EFAA Cc1nc(CCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)sc1C 95383635 KYFBTEUDTYVLKK-HNNXBMFYSA-N 347.484 2.924 0 50 EFAA COc1ccccc1CCNC(=O)COc1cccc2c1ccn2C 252509273 YJBVTQUSUSNWTC-UHFFFAOYSA-N 338.407 2.925 0 50 EFAA CCCn1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cn1 183305467 KXEQSBXDECBQND-HNNXBMFYSA-N 341.459 2.644 0 50 EFAA CCCn1ccnc1CNS(=O)(=O)Cc1cccc(Cl)c1 534592166 BWXFLNOSNBLERA-UHFFFAOYSA-N 327.837 2.566 0 50 EFAA COCCN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCCN(C)C1 534646614 SHYZMNDRFRDMFY-OAHLLOKOSA-N 339.867 2.592 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)n[nH]1 299754477 VPXZLXSEMWRTJR-CRAIPNDOSA-N 332.492 2.945 0 50 EFAA biogenic CCC(=O)Nc1cc(Cl)ccc1C(=O)NCc1cnc(C)cn1 822535062 ZLJXDXLGUUGBJZ-UHFFFAOYSA-N 332.791 2.717 0 50 EFAA OCCn1nc(Cc2cccc(Cl)c2)nc1CN1CCCCCC1 828776681 IFNWPUGACHZWJK-UHFFFAOYSA-N 348.878 2.891 0 50 EFAA CCOC(=O)N1CC[C@@H](NCc2cc(-c3ccc(OC)cc3)no2)C1 584887745 UXXKTKCMMASHSB-CQSZACIVSA-N 345.399 2.671 0 50 EFAA CCCN(CCC)S(=O)(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 1434638852 QPKPQHYSIHEASF-OAHLLOKOSA-N 328.482 2.612 0 50 EFAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)/C=C/c1cnc(N(C)C)nc1 952972642 PJFBFLAFUGUWGX-WXJAXGNASA-N 340.402 2.841 0 50 EFAA Clc1cccnc1N[C@H]1CCOC[C@@H]1OCc1cscn1 1565508875 BPZGFDCPJVMTSP-STQMWFEESA-N 325.821 2.978 0 50 EFAA CCn1c(SCCN2C[C@H](C)O[C@H](C)C2)nnc1-c1ccco1 408524581 VXNHEJZHWKRHCE-BETUJISGSA-N 336.461 2.759 0 50 EFAA COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccc(SC)cc2OC)C1 408515091 SRUDOJOCLCENEB-WDEREUQCSA-N 338.429 2.880 0 50 EFAA CC(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1(C)C 274533354 RADDJQABLMROJK-TWMKSMIVSA-N 332.444 2.536 0 50 EFAA Cc1cccc(OCCN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 275305560 NSWZNPMUJVUKRH-HKUYNNGSSA-N 329.444 2.844 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)c1c(O)cc(Cl)cc1Cl 276618375 NRWJMIGKOXKTNL-UHFFFAOYSA-N 328.155 2.889 0 50 EFAA Cn1cc(CN[C@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 170615865 LGMYJLYHTIZIQE-KWCYVHTRSA-N 329.366 2.876 0 50 EFAA FC(F)(F)Cc1ccccc1CN1CCN([C@@H]2CCOC2)CC1 639310011 QIIISACTEZFECX-MRXNPFEDSA-N 328.378 2.698 0 50 EFAA O=C(c1ccc(O)cc1O)N1CC2(CCOCC2)c2ccccc21 189851455 KXDPNDSLUMKPBI-UHFFFAOYSA-N 325.364 2.806 0 50 EFAA CCCc1noc(CCCC(=O)N2C[C@H](C(=O)O)c3ccccc32)n1 192950163 OYIIBELCWARRDL-ZDUSSCGKSA-N 343.383 2.560 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)CC1C2CC3CC(C2)CC1C3 649578960 IHPXQVAOSFANJM-OLKDXYPGSA-N 330.472 2.718 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2cn[nH]c2)c1 1506401004 HNACTSIFXLBWSE-QGZVFWFLSA-N 340.427 2.550 0 50 EFAA O=S(=O)(c1cccnc1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529174324 TZYUKZUPHSOMPM-ZWKOTPCHSA-N 344.436 2.622 0 50 EFAA CCCN(CC(=O)NCc1ccc(C(=O)O)o1)Cc1ccsc1 1529100031 NAJHYVYQUKNZLE-UHFFFAOYSA-N 336.413 2.568 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N)C1 237037096 VXWQWESGRRDCJF-AAEUAGOBSA-N 325.250 2.577 0 50 EFAA C[C@]1(O)CCOC2(CCN(C(=O)Cn3ccc4ccccc43)CC2)C1 1704343564 DZXZYXZRPGVZNG-IBGZPJMESA-N 342.439 2.564 0 50 EFAA COc1ccc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1261246 WYXMGONJMHBFBF-LFIBNONCSA-N 340.404 2.966 0 50 EFAA CN(C(=O)CCc1cccc(Cl)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297797 XHRRBJSQCXFPCT-IJEWVQPXSA-N 334.847 2.646 0 50 EFAA CC(C)N1C[C@@H](CN2CCCN(c3ccc(F)cc3)CC2)CCC1=O 1775981546 LXEJKFKBEUWCNQ-QGZVFWFLSA-N 347.478 2.985 0 50 EFAA CCOc1ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1 1772707673 SMBFFWGJZAPVMC-UHFFFAOYSA-N 340.423 2.804 0 50 EFAA Cc1ncc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 11760493 BLQLGELRPUEXJA-IBGZPJMESA-N 346.434 2.829 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 12597210 FMJDCZVHLRZRFL-KRWDZBQOSA-N 340.398 2.973 0 50 EFAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCC(=O)N(C2CCCC2)C1 12702153 PETLMHCYMKGWMH-OAHLLOKOSA-N 339.439 2.965 0 50 EFAA O=C(COc1ccccc1)N[C@H]1CCCN(Cc2ccccc2F)C1 12713410 NZGJSFNNJDDMOJ-KRWDZBQOSA-N 342.414 2.985 0 50 EFAA CCN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 19145853 IDKDHGZNROYSMX-QGZVFWFLSA-N 341.459 2.819 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4cccc5cc[nH]c45)[C@@H]2CC(=O)N13 1857726393 ORLNTTWFENHOEY-QKLQHJQFSA-N 339.439 2.726 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ncc(F)cn2)C1 343584770 VVDJBIXHAULSQK-VIFPVBQESA-N 329.301 2.752 0 50 EFAA Cc1ccn(C)c1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 225488856 CKPIFXZQFVOFAX-AWEZNQCLSA-N 347.415 2.626 0 50 EFAA NCC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1 237796369 BVICXWHTYPENQM-UHFFFAOYSA-N 336.863 2.586 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2ccc[nH]2)cc1 247898712 PPZVSICLEBQEHS-SJORKVTESA-N 339.439 2.760 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)c(-c2ccccc2)o1 248038530 NNFYFUFAKAYNDH-CVEARBPZSA-N 338.407 2.948 0 50 EFAA O=C(NCc1ccco1)[C@H]1CCCN1c1ccc(OC(F)F)cn1 134901481 LQGHJCPHHLLJKD-CYBMUJFWSA-N 337.326 2.561 0 50 EFAA CC(C)c1cc(C(=O)N(C)CC2CC(O)C2)nn1-c1ccccc1 135348089 YMTOCTCHPIBOIW-UHFFFAOYSA-N 327.428 2.839 0 50 EFAA Cc1c(CC(=O)N2CCc3ccc(F)cc32)nnn1-c1ccccc1 350342610 PPQWBRVZFIXDAZ-UHFFFAOYSA-N 336.370 2.847 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C1 261842185 YSLDFMSJJDMMBO-JTQLQIEISA-N 339.775 2.786 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2F)C2CCCC2)O1 901785772 LAZUHPNAPWIVEI-SJORKVTESA-N 349.402 2.772 0 50 EFAA Cc1nc(CC(C)C)oc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 910204040 FSUBUFBIAUPCKA-CQSZACIVSA-N 332.356 2.599 0 50 EFAA Cn1cnc2cc(CNS(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 921033457 TVAKDSVULRIUDM-MAUKXSAKSA-N 341.436 2.549 0 50 EFAA Cc1nc(N2CC[C@H](C)[S@@](=O)CC2)sc1C(=O)OC(C)(C)C 822427153 WNWNBQCEWRXMSN-MGUXCZDKSA-N 344.502 2.754 0 50 EFAA CC(C)(C)OC(=O)N1CCN(Cc2cnc(Cl)cn2)CC1(C)C 832707214 NGGNQLRMDUYXPE-UHFFFAOYSA-N 340.855 2.961 0 50 EFAA COc1cccc2c1CN(C(=O)N[C@@H]1CCCc3nc(C)ncc31)C2 875303199 WBWWJBGJTHHYQG-QGZVFWFLSA-N 338.411 2.896 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CCCN(C(C)C)C2)[nH]1 1875255374 ODXYFYVKUVGZOR-INIZCTEOSA-N 325.460 2.801 0 50 EFAA CCn1cc(C(=O)NC23CCC(C(=O)O)(CC2)CC3)c(C2CC2)n1 1875304825 WHUZNJPQKRWVON-UHFFFAOYSA-N 331.416 2.688 0 50 EFAA NC(=O)c1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cccc(O)c2)c1 1875302753 FRYFDPVZORFUFV-QGZVFWFLSA-N 342.370 2.998 0 50 EFAA C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ncccc1Cl 1875328119 ZKKFGNAJVLKNOP-LLVKDONJSA-N 327.775 2.807 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 1875303624 FWEGNRCBWLKDDK-TULHTLCESA-N 327.371 2.962 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccnn2[C@H]2CC2(F)F)c2ccccc21 1875404621 OZOINQWHRKVGGG-HZMBPMFUSA-N 347.321 2.682 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@](C)(NC(=O)[C@@H]3COC(C)(C)C3)C2)co1 1875407139 UAAPTQXJKKFEIA-HNAYVOBHSA-N 348.443 2.514 0 50 EFAA Cc1ccncc1[C@@H]1CCN(C(=O)Cc2nn(C)c3ccccc23)C1 885748323 SKOCXYYWBRLJHT-OAHLLOKOSA-N 334.423 2.835 0 50 EFAA Cc1cc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc(O)n1 886565402 QWGHJFIGILTHAG-ZDUSSCGKSA-N 340.301 2.578 0 50 EFAA COc1ccc2nc(CN3CCC(c4nc(C)c(C)[nH]4)CC3)[nH]c2n1 886662444 DPEPQBDFJNJMFP-UHFFFAOYSA-N 340.431 2.686 0 50 EFAA O=C(Nc1sc2c(c1C(=O)O)CCNC2)c1ccc(Cl)cc1 888096133 VCBJNRFXGYGKAS-UHFFFAOYSA-N 336.800 2.998 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC(F)(F)[C@@H](CO)C2)n1 1771972554 JXMBIQDQUXZSFV-CYBMUJFWSA-N 334.370 2.983 0 50 EFAA 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343.395 2.561 0 50 EFAA NC[C@@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 178570687 QBESBPBMUOAKFB-NSHDSACASA-N 331.243 2.960 0 50 EFAA C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Cl)C1 291147142 XBDQFDSYDNKKKA-KKUMJFAQSA-N 336.863 2.928 0 50 EFAA CC(C)n1cc(NC(=O)N2CCCN(Cc3cccs3)CC2)nn1 96149391 BYEOISWNQLKMLD-UHFFFAOYSA-N 348.476 2.660 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 91551964 SCNNGJKURJFMME-ZDUSSCGKSA-N 349.381 2.828 0 50 EFAA O=C(N[C@H](CCO)c1ccco1)c1ccn(CCc2ccccc2)n1 294927579 HDSYWPKEKCZOAD-MRXNPFEDSA-N 339.395 2.572 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 244708155 KOSZATPLVBFTCU-XRRVDJEJSA-N 349.408 2.695 0 50 EFAA CCn1c(COc2ccc(C)c3c2CCC3)nnc1[C@H]1C[C@H](N)C1 252553309 VJQDLJKEGWJKHH-HDJSIYSDSA-N 326.444 2.879 0 50 EFAA Cc1ccc2nc(CN(C)C(=O)NC3CCN(C(C)C)CC3)[nH]c2c1 534649306 ZHUJFQPBAVPUPA-UHFFFAOYSA-N 343.475 2.886 0 50 EFAA COc1ccccc1OCc1nc2cccnc2n1C1CCNCC1 299792330 FOSDVIVTCMGGHM-UHFFFAOYSA-N 338.411 2.943 0 50 EFAA 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341.333 2.563 0 50 EFAA CS(=O)(=O)c1cccc(CN2c3ccccc3CC[C@H]2CCO)c1 425495140 UHZGUWWGYQOSPL-KRWDZBQOSA-N 345.464 2.794 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(C(=O)O)c2)CCO1 237642451 XIZHAMTVEBVYCC-KRWDZBQOSA-N 325.364 2.907 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CCCC3)cc2)c(C)c1CCC(=O)O 237657606 PQUNTVUGVSAMIX-UHFFFAOYSA-N 341.411 2.742 0 50 EFAA Cc1coc(-c2cc(NC(=O)[C@H](N)C3CCOCC3)ccc2C)n1 261605592 AOIHJUBAMLWERT-MRXNPFEDSA-N 329.400 2.651 0 50 EFAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1csc(-c2ccoc2)n1 263073820 ATCPAUUCLCQSDN-GHMZBOCLSA-N 334.397 2.657 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H](c2ncc[nH]2)C1 263903671 GKLBAEVRBCNAMD-ZWKOTPCHSA-N 338.455 2.780 0 50 EFAA COc1ncccc1-c1noc(CC2CCN(CC(F)F)CC2)n1 903986051 REPVVSKDKSMYBJ-UHFFFAOYSA-N 338.358 2.660 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(C(F)F)[nH]n3)C1)CC2 1704308422 QWNWYQXOCZQORC-QGZVFWFLSA-N 347.369 2.566 0 50 EFAA O=S(=O)(c1ccccc1)C1CC(N[C@@H]2CCC[C@H]3OCC[C@H]23)C1 864086954 MDFYDUQQXHWBRP-NLZHUQCOSA-N 335.469 2.539 0 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EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)C(C)=C2CCCC2)C1 886035230 JWNLIWGEQNYVKJ-FUHWJXTLSA-N 330.428 2.967 0 50 EFAA COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(N)nn2)cc1F 888077243 VZKNDZOKOBQXGY-HNNXBMFYSA-N 344.390 2.503 0 50 EFAA CS(C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)cc1 891013646 BEJRLBZEEGMEFL-NZBFACKJSA-N 346.452 2.785 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCN(c3cnccn3)CC2)n1 891730333 ASTNCTKMUJGSGF-UHFFFAOYSA-N 347.426 2.645 0 50 EFAA CC(C)(C)c1nc(CN2CCN(c3ccncc3CO)CC2)cs1 892027594 DDMRLLFVKJSUQO-UHFFFAOYSA-N 346.500 2.650 0 50 EFAA CC1(C)Cc2cc(S(=O)(=O)Cc3cnn(CCF)c3)ccc2O1 899506082 RTCPGZSEYJCJGN-UHFFFAOYSA-N 338.404 2.540 0 50 EFAA O=C(Nc1ncc(C2CC2)o1)C1CCN(C(=O)c2ccoc2)CC1 2325800168 TXUIPTVQGOTAJE-UHFFFAOYSA-N 329.356 2.636 0 50 EFAA Cc1cn(C2CCOCC2)nc1-c1nc(=Nc2ccccc2)[nH]o1 2325801835 XZBREAGWVICCIF-UHFFFAOYSA-N 325.372 2.759 0 50 EFAA NCc1nc(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)co1 2325856896 HJAAPZCWPZEACK-UHFFFAOYSA-N 337.383 2.655 0 50 EFAA Cc1cccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)c1O 352139 BKXSQRZARAOITK-ABAIWWIYSA-N 342.317 2.954 0 50 EFAA COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(C)cc1 401185 AWIJFMKNBKFCQP-UHFFFAOYSA-N 331.393 2.785 0 50 EFAA CNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S1 460635 BXDNVKUWFCIDBW-VIFPVBQESA-N 332.212 2.539 0 50 EFAA O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)C(=O)NC2=O 1062176 NTRHKDPFYNLZQW-UHFFFAOYSA-N 346.342 2.741 0 50 EFAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3nccn3C)C2=O)cc1 2356163925 XGLZIHCJZWSKFM-HXUWFJFHSA-N 338.455 2.890 0 50 EFAA O=c1[nH]c2ccccc2cc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 225650952 WJHZGJSCWNQLKM-MJGOQNOKSA-N 338.382 2.975 0 50 EFAA Cn1cc(CC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 113218146 GKTUFMKQWXGHKH-KRWDZBQOSA-N 349.438 2.759 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 115037629 KYNLDQKXRZICIP-MRXNPFEDSA-N 338.363 2.660 0 50 EFAA CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1(C)C 344325080 RADDJQABLMROJK-YYIAUSFCSA-N 332.444 2.536 0 50 EFAA COc1cc(CNCc2nc(C)cc(=O)[nH]2)ccc1OCC=C(C)C 55100137 DIMQWKWUBNAHLP-UHFFFAOYSA-N 343.427 2.722 0 50 EFAA CC(C)N1CCn2nc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2C1 65528813 KLJJHYYRIQAKPR-SFHVURJKSA-N 342.418 2.833 0 50 EFAA COc1ccc(C2(C(=O)NC[C@@H]3CCCN(C)C3)CCCC2)cc1 67820506 XQGAFWOANQJDKM-INIZCTEOSA-N 330.472 2.965 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1CCN(C(C)C)[C@@H](CCO)C1 22916415 QBBHDVZDZZJPPU-HNNXBMFYSA-N 349.500 2.989 0 50 EFAA Cc1nc(C)c(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)o1 140259125 VPWKSOINXUYVFL-UHFFFAOYSA-N 338.310 2.687 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NC1CCC(N3CCCCC3)CC1)CC2 252476864 CTHHSACQLZETOP-JEVOJNTISA-N 348.535 2.662 0 50 EFAA Cc1ccccc1C1CCN(C(=O)NCc2nc(N(C)C)no2)CC1 365773579 SAZUXOQQXMKWCF-UHFFFAOYSA-N 343.431 2.533 0 50 EFAA CN1C[C@@]2(CCCN(Cc3cnc(-c4cccs4)nc3)C2)OC1=O 215242421 ICPSCLULJOXMMW-QGZVFWFLSA-N 344.440 2.622 0 50 EFAA CC(=O)c1ccc2c(c1)CCN(C(=O)c1ncc(F)cc1F)CC2 253433496 XPDPBHMBEOTLEP-UHFFFAOYSA-N 330.334 2.803 0 50 EFAA Cc1cccnc1[C@@H]1CCC[C@H](Nc2ccn(CCC(N)=O)n2)C1 281148646 ASZBQTLCVBPEDY-CABCVRRESA-N 327.432 2.600 0 50 EFAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl 281715905 GCKUBDURGZXZPT-TVQRCGJNSA-N 329.227 2.709 0 50 EFAA O=C(CCNC(=O)c1ccco1)NC1(C(F)(F)F)CCCCC1 357617140 UZSZPOCWRNNQSZ-UHFFFAOYSA-N 332.322 2.781 0 50 EFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccncc1 77489913 FRVUFVUKIBMTER-ZDUSSCGKSA-N 327.409 2.958 0 50 EFAA OC1CN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)C1 72470754 HNIQKLGXIPLVHU-UHFFFAOYSA-N 328.759 2.633 0 50 EFAA CO[C@@H]1CCCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C1 215185407 YXCWCURIGUBGAX-QGZVFWFLSA-N 334.460 2.591 0 50 EFAA Cc1nc2ccccc2nc1CN1CCNC(=O)[C@@H]1c1ccccc1 172566029 ALDSGUYBSKQFRO-IBGZPJMESA-N 332.407 2.611 0 50 EFAA CN(Cc1cccc(OCCCn2ccnc2)c1)C1CCOCC1 215696009 WNEVHXUGUKYDGT-UHFFFAOYSA-N 329.444 2.963 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 282439576 JKSBWKQIJCYHKY-CRAIPNDOSA-N 329.371 2.711 0 50 EFAA O=C(C[C@@H]1COCCN1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 72146382 SGIYFTAEUFTNGP-OAHLLOKOSA-N 336.395 2.547 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(C(=O)O)n1)[C@@H]2C 262904688 XZEIRKJFTLEBQP-VXGBXAGGSA-N 340.379 2.936 0 50 EFAA C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCCC12CCN(C)CC2 378332481 GWBQULZXNVOOMX-OAHLLOKOSA-N 331.460 2.593 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)n1 236863711 TYHATGCTGXPTSC-NSHDSACASA-N 339.823 2.970 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@H](O)c3cccc(F)c3)cc2c1 215468357 SCLNPMAKVJELHO-QGZVFWFLSA-N 328.343 2.665 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 337132060 BRAJJTZHZHMVSZ-YFPRJPQZSA-N 343.467 2.959 0 50 EFAA Cc1ncc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 219684245 DEQGTFMBFQFVBA-YVNUBYTISA-N 348.406 2.575 0 50 EFAA Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)cc(=O)[nH]1 215959471 NOLOEYIOONASER-SFHVURJKSA-N 339.439 2.640 0 50 EFAA O=C(CC(F)(F)F)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 283053130 REWFWUQVNOOZGA-MRVPVSSYSA-N 347.318 2.650 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 242242324 XTWNSSLULCMLMZ-SCNOPHJPSA-N 344.455 2.733 0 50 EFAA CO[C@H]1COCC[C@@H]1CNC(=O)N1CCC=C(c2ccccc2)C1 455322489 RVQQIPAOWGLDKM-AEFFLSMTSA-N 330.428 2.537 0 50 EFAA C[C@H]1OCCN(Cc2cccc3c2OCO3)[C@@H]1c1nc(C2CC2)no1 284686368 SEILXMJDEIYLOJ-ABAIWWIYSA-N 343.383 2.638 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc(C(=O)O)ccn2)C2CC2)cc1 263421410 PLXXUCHBFMFGPB-MRXNPFEDSA-N 326.352 2.670 0 50 EFAA CCNS(=O)(=O)c1ccc(NC(=S)N2CCCC[C@H]2C)cc1 17071466 WCWYDMYTWQYLLV-GFCCVEGCSA-N 341.502 2.556 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)CSc1n[nH]c(=S)s1 177923871 QHYOFEJRHXSUIV-KOLCDFICSA-N 347.531 2.860 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)s1 223164227 DNQWZLUHZSWICS-SECBINFHSA-N 342.380 2.887 0 50 EFAA Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3C)CC2=O)cc1 82172057 FLJHWUITCDMWTR-UHFFFAOYSA-N 340.398 2.860 0 50 EFAA CC[C@H](C(=O)NCc1nn(C)c2cccc(Cl)c12)n1cccn1 91997139 RVYRCCZFTBURQB-CYBMUJFWSA-N 331.807 2.691 0 50 EFAA OC[C@]12COc3ccccc3[C@H]1CN(CCOCc1ccccc1)C2 95520085 GZUCLQSNLMPERW-TZIWHRDSSA-N 339.435 2.674 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 179017307 VRRVVBBUACGYPV-NILFDRSVSA-N 337.261 2.621 0 50 EFAA CNCc1nnc(SC[C@@H]2CCCOC2)n1-c1cccc(OC)c1 426471346 KZCLJTMVCGNYCQ-CYBMUJFWSA-N 348.472 2.514 0 50 EFAA Cc1c(CNC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cnn1C 179336378 IFRXWWPXSZFZCO-LJQANCHMSA-N 349.438 2.845 0 50 EFAA COCc1c(Cl)cccc1NC(=O)N(C)[C@H](C)C[S@](C)=O 162810616 HPGZLDGBVWHOHE-LADRHHBVSA-N 332.853 2.717 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N1CCN(CCSC(C)(C)C)CC1 239760972 CIVSOICQNPNIIU-HNNXBMFYSA-N 341.565 2.583 0 50 EFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccoc1)C2 91440772 LDAHYNAZPUAERS-GOEBONIOSA-N 329.400 2.621 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1cc(C)n[nH]1)n2C 91440103 LTRYUECFAHCROQ-LLVKDONJSA-N 326.400 2.579 0 50 EFAA Cc1cc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c(OC(F)F)cc1C 293800762 DFVNNCKUSXVNCK-AAEUAGOBSA-N 333.400 2.570 0 50 EFAA CCn1ccnc1CN(C)C(=O)C1CCN(C2CCCCC2)CC1 95388705 SXTFHFBTXIPUIS-UHFFFAOYSA-N 332.492 2.906 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734365 NEEJOLKNTMJSHZ-RVKKMQEKSA-N 344.386 2.780 0 50 EFAA COc1cnc(CN2CCN(c3ccccc3OC)C[C@@H]2C)cc1O 244619936 FIVFUZOWFXIGFG-AWEZNQCLSA-N 343.427 2.515 0 50 EFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@H]1C 245226302 PYCUVHRWVQBKOA-KBPBESRZSA-N 336.457 2.623 0 50 EFAA CN(Cc1ccc(Br)o1)C(=O)c1cc(C(=O)O)co1 183760833 BPPXJQFVSBKCCM-UHFFFAOYSA-N 328.118 2.606 0 50 EFAA CCCCn1nccc1NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 299775624 GDJXBXAJKKAYEQ-HNNXBMFYSA-N 347.463 2.550 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(F)cc3C)[C@H]2C1 299761014 QOHSCDMVCOTTLC-JENIJYKNSA-N 335.419 2.862 0 50 EFAA CNC(=O)c1ccsc1NC(=O)N1CCO[C@H](c2ccccc2)C1 1426313498 OQOVOJADYWLGMQ-AWEZNQCLSA-N 345.424 2.713 0 50 EFAA Cc1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 1434360243 BWCHPDHVLDUUFL-LBPRGKRZSA-N 338.333 2.641 0 50 EFAA O=C([C@@H]1Cc2ccccc2CN1)N1CCc2c(F)ccc(F)c2C1 269075631 XESFESPEAHNLNE-SFHVURJKSA-N 328.362 2.564 0 50 EFAA Cn1cnc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)nc21 888099290 FNIXTXWXFUEJFY-OAHLLOKOSA-N 338.386 2.955 0 50 EFAA CCc1ncnc(N2CCC(CNC(=O)c3ccsc3)CC2)c1F 952990563 ZICRKZLAERZJSS-UHFFFAOYSA-N 348.447 2.886 0 50 EFAA CCOCC(=O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565530890 COADYUFIDQPAJR-GPMSIDNRSA-N 331.412 2.520 0 50 EFAA Cc1nccc(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)n1 273819243 FCBNPLQANTWYQG-UHFFFAOYSA-N 334.782 2.540 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 277040794 PCHGIKGTYPPKKY-ISXWCOSWSA-N 332.444 2.533 0 50 EFAA CCc1c(-c2csc(CN3CCNCC3)n2)[nH]c(C)c1C(C)=O 1776005508 CWHYBFBVUSCTHI-UHFFFAOYSA-N 332.473 2.617 0 50 EFAA CC(C)(C)OC(=O)NCc1cc(C(=O)NCC[C@H]2CCCO2)co1 170602130 IQOARNRQVJQVQT-CYBMUJFWSA-N 338.404 2.603 0 50 EFAA CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 171074102 WPQHDHJMJPTHOZ-CYBMUJFWSA-N 345.468 2.921 0 50 EFAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2c(Cl)cnn2C)C1 668573356 XIYURLVWPBRPBB-GFCCVEGCSA-N 326.872 2.704 0 50 EFAA NC(=O)[C@H](c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 189359982 YBLZQMXBPBQKFP-ZDUSSCGKSA-N 343.326 2.706 0 50 EFAA COCc1cccc(CC(=O)N2CCCCC[C@H]2c2ncon2)c1 189607507 PSROEHUOHRHJIR-INIZCTEOSA-N 329.400 2.902 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](c2ccccc2)C2CC2)C1 190041387 SSKYESKNBBQLJR-ZACQAIPSSA-N 341.411 2.860 0 50 EFAA CC[C@@H](NC(=O)N1CCC(Cn2cncn2)CC1)c1cccs1 190381421 YVDJZBAUDAKSQJ-CQSZACIVSA-N 333.461 2.913 0 50 EFAA CN(CC(=O)O)C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 191733124 GFWHXDDCRAACQU-UHFFFAOYSA-N 345.226 2.614 0 50 EFAA COCCN1CC[C@@H](Nc2nc(C(F)F)nc3ccc(F)cc23)C1 663577992 SCQSPMJHZFHWCK-LLVKDONJSA-N 340.349 2.839 0 50 EFAA Cc1cc(=O)c(C(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)c[nH]1 1506412951 GHPQPAVBDXVLJI-ZDUSSCGKSA-N 345.830 2.593 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)CCCOc2cccc(C)c2C)CC[C@@H]1O 1704325631 NYKDRBNLYMUWBO-ZIFCJYIRSA-N 349.471 2.707 0 50 EFAA Cc1cc(NC(=O)/C=C/C(=O)O)ccc1NC(=O)c1cccs1 449594 DNVZRRDKZJUZPH-VOTSOKGWSA-N 330.365 2.888 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1 6725968 XIUJEXJEBZQKHO-UHFFFAOYSA-N 339.233 2.955 0 50 EFAA COc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1 5388013 QXEUYIZHXBVOAH-UHFFFAOYSA-N 341.392 2.619 0 50 EFAA O=C(C1=CCCC1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12307979 UQRBFYZQQZUHGH-MRXNPFEDSA-N 328.412 2.971 0 50 EFAA CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)[nH]n1 12323848 RFJHCCIPZWNRFS-UHFFFAOYSA-N 325.401 2.836 0 50 EFAA Cc1ccc2nc3c(cc(C(=O)Nc4ccccc4)n3C)c(=O)n2c1 12421556 PPNNPTWVBVEJOO-UHFFFAOYSA-N 332.363 2.747 0 50 EFAA O[C@@H](COC1CCCC1)CN1CCN(c2cccc(Cl)c2)CC1 16648212 LJBPCZKJENTWEH-QGZVFWFLSA-N 338.879 2.782 0 50 EFAA Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19210299 KBSWNXVDOOJRAE-UHFFFAOYSA-N 330.453 2.502 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 19773907 QCYKBDOSESHQLU-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA biogenic Cc1cc(CN2CCN(c3ncccn3)CC2)c2ccc(F)cc2n1 19811073 KPABKTVVVKQLST-UHFFFAOYSA-N 337.402 2.795 0 50 EFAA c1cncc([C@@H]2c3[nH]cnc3CCN2Cc2cccc3ccnn23)c1 1857677293 VBPQYZIFJNZFFG-LJQANCHMSA-N 330.395 2.600 0 50 EFAA CCc1[nH]nc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1CC 1875249806 CCKUIQWHKIFPMI-UHFFFAOYSA-N 326.400 2.914 0 50 EFAA CC(C)(O)[C@H]1CCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 305735109 RCVRUIJNEJBUGG-MRXNPFEDSA-N 328.416 2.699 0 50 EFAA Cc1cnn(C[C@@H]2CN(c3ncc(Cl)cc3Cl)CCO2)c1 225819974 JYVLQRPJPLUNFK-LBPRGKRZSA-N 327.215 2.799 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](Nc2ncnc(N)c2Cl)[C@@H]1n1cccn1 450861482 DUFHMQQBFPSXHI-UMNHJUIQSA-N 336.827 2.518 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cs1 337414600 OWCQUZKYGRPKRK-MRVPVSSYSA-N 348.819 2.572 0 50 EFAA CCOc1ccc([C@@H](COC)NC(=O)c2ccc3nccn3c2)cc1 253416776 XQFBDFLHUDLVDE-QGZVFWFLSA-N 339.395 2.851 0 50 EFAA Cc1n[nH]cc1CN[C@](C)(C(=O)O)c1cccc(Br)c1 901623639 UXYGFNXWNMUOKT-AWEZNQCLSA-N 338.205 2.570 0 50 EFAA Cc1cc([C@H](C)N[C@H]2C[C@]3(CCNC3)Oc3ccccc32)nn1C 902503956 UJNUJYLINHJRDH-FNHZYXHNSA-N 326.444 2.635 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3c(C)noc3C)C1)CC2 1704301426 YZLBFGGEMTZJNL-GOSISDBHSA-N 326.400 2.510 0 50 EFAA Cn1nc(C(F)(F)F)c(NC(=O)c2c3c(nn2C)CCC3)c1Cl 906090927 XHMDIVBIQGCZPE-UHFFFAOYSA-N 347.728 2.567 0 50 EFAA CCn1cnc2c1CCN(C(=O)N[C@H](c1ccccc1)C(F)F)C2 931544462 NBXRPZJDILVFBW-OAHLLOKOSA-N 334.370 2.977 0 50 EFAA CC(C)CN(CC(N)=O)c1nc2cc(Br)ccc2o1 952999057 SIPZGILXFFCNRY-UHFFFAOYSA-N 326.194 2.538 0 50 EFAA COc1cc2c(cc1F)CN(S(=O)(=O)[C@H]1CCC[C@H]1C)CC2 1875298699 KOMYDWKJRITHMS-BZNIZROVSA-N 327.421 2.711 0 50 EFAA COc1cccc2c1C[C@H](NC(=O)c1cnc3c(c1)C(=O)CCC3)C2 1875271688 IYXXJFAVCWGEGE-CQSZACIVSA-N 336.391 2.506 0 50 EFAA O=C(c1nnn2ccccc12)N1CCOc2ccc(C(F)(F)F)cc21 1875332378 PXEUDPSAUPUKFM-UHFFFAOYSA-N 348.284 2.787 0 50 EFAA C=CC(=O)N(Cc1ccccc1Cl)[C@H](C(=O)NC)c1cccnc1 1875387745 VQVMXOBNOYJSJP-KRWDZBQOSA-N 343.814 2.737 0 50 EFAA C[C@H]1CN(CCCNC(=O)NC[C@H]2CCCC3(CC3)C2)C[C@@H](C)O1 1875319962 AILUMWQBXMSMER-BBWFWOEESA-N 337.508 2.755 0 50 EFAA CC1(C)C[C@H](C(=O)N2CCC[C@H](n3nccn3)C2)[C@H]1C(F)(F)F 1875404751 TVGUWZVTGSPWBO-SDDRHHMPSA-N 330.354 2.666 0 50 EFAA CCc1ncnc(N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)c1F 886079208 BPTHFEGVEMERFU-BBRMVZONSA-N 331.395 2.727 0 50 EFAA Cn1nccc1COCc1nnc([C@@H]2CCCO[C@H]2C(C)(C)C)o1 886094753 DJVQYOULCJDICG-UKRRQHHQSA-N 334.420 2.829 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1NC(=O)c1ccc(-c2ccccc2)o1 886726054 DBDCRVLEBKWJNV-MRXNPFEDSA-N 326.396 2.981 0 50 EFAA COc1ccc(C2(C(=O)NCc3cn(C)nc3OC)CCCC2)cc1 890035825 KLDOZLZOCMKGRQ-UHFFFAOYSA-N 343.427 2.566 0 50 EFAA O=C(c1cc2ccncc2s1)N1C[C@@H](O)[C@H](Cc2ccccc2)C1 890509815 GHRLPFOKQQXYPX-HZPDHXFCSA-N 338.432 2.972 0 50 EFAA Cc1cc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)co1 890633426 ZYNISYVPHQSKLS-HNNXBMFYSA-N 338.201 2.988 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(Cc2ccc3c(c2)CCCO3)CC1 892052221 HWMSLPFRLHETQT-LJQANCHMSA-N 341.455 2.691 0 50 EFAA FC(F)(F)c1cc([C@H]2CCCN(C[C@@H]3C[C@H]4CC[C@H]3N4)C2)[nH]n1 1775985678 PZYYEINUUHEOGK-WUHRBBMRSA-N 328.382 2.748 0 50 EFAA Cc1cc(C(=O)NC[C@H](C)c2ncon2)c(Br)s1 1413643593 DMJCOPUXGBWIFS-LURJTMIESA-N 330.207 2.736 0 50 EFAA CCOc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1 105918 GEFGCTKYAOXECH-KRWDZBQOSA-N 327.380 2.960 0 50 EFAA CCc1cccc2c(C(=O)COC(=O)c3ccn(CC)n3)c[nH]c12 2325754767 UHOXZJQSYHKCCO-UHFFFAOYSA-N 325.368 2.986 0 50 EFAA CCn1ccc(CNCc2nc3ccccn3c2Br)n1 840954774 KAEFCWPFBCPNMU-UHFFFAOYSA-N 334.221 2.603 0 50 EFAA Cc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)n1 1994204 IWONMBUUIVNRQL-UHFFFAOYSA-N 325.290 2.518 0 50 EFAA Cn1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 2653226 DREXBUAMMDYAPR-CQSZACIVSA-N 343.387 2.821 0 50 EFAA O=C(NCc1ccc(F)cc1)Nc1c(O)c2ccccc2oc1=O 6746470 GRPUURHLBMNPNN-UHFFFAOYSA-N 328.299 2.959 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 245424868 DDIXOKURHRDHAV-NEPJUHHUSA-N 325.840 2.567 0 50 EFAA CN(Cc1nc(-c2ccco2)no1)[C@@H]1CCN(c2ccccc2)C1=O 109815342 JRWXNAZNQOESTG-CQSZACIVSA-N 338.367 2.567 0 50 EFAA O=C(CCn1ccc2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 8156856 PJFOZYYFMJQWHL-KRWDZBQOSA-N 336.391 2.844 0 50 EFAA biogenic O=C(N[C@H]1CCOc2c(Br)cccc21)[C@H]1CCCO1 225710107 MKHGUATZCJQLDF-NWDGAFQWSA-N 326.190 2.568 0 50 EFAA CS(=O)(=O)NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 114375501 CICWDIUNLBESDB-UHFFFAOYSA-N 325.773 2.822 0 50 EFAA O=C(C[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc21)c1cccs1 343605674 BWGQFOZVHCTBSC-GDBMZVCRSA-N 341.432 2.888 0 50 EFAA C[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 53495082 WUDAATVISCHTDI-GOEBONIOSA-N 332.419 2.936 0 50 EFAA Cc1nc(-c2ccc(CCNC(=O)c3ccnn3C)s2)cs1 345290308 ATPYGKRHHAGZSM-UHFFFAOYSA-N 332.454 2.886 0 50 EFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 20454237 ZHAGKFLZJDBQOL-QGZVFWFLSA-N 343.471 2.921 0 50 EFAA O=C([C@H]1CCCO1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20437016 NNCFACHDQZPJSD-OAHLLOKOSA-N 342.361 2.529 0 50 EFAA CN(C)C(=O)c1ccc(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1 248023410 RVLYOPFXUCFQSA-WBVHZDCISA-N 343.471 2.839 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 249681123 BHYBIKPJTIISPY-HUUCEWRRSA-N 334.485 2.910 0 50 EFAA O=C(CN[C@H]1COC2(CCCC2)C1)NCCc1cccc(Cl)c1 65395783 NPMQRERTNULABW-MRXNPFEDSA-N 336.863 2.690 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348270333 XMVKVFMOOXYSNY-DZGCQCFKSA-N 329.327 2.503 0 50 EFAA c1cc(O[C@@]23CCCN(CC2)C3)ccc1CNCC1CCOCC1 67446990 CVGDQKAGTGCDLB-FQEVSTJZSA-N 330.472 2.820 0 50 EFAA CC[C@H](OC)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67542168 LPXHRFBFAFQELR-KRWDZBQOSA-N 342.395 2.600 0 50 EFAA CN(CCCc1ccccc1)C(=O)c1ccccc1NCC(=O)O 65403995 GRRLBSUEPRKSAT-UHFFFAOYSA-N 326.396 2.888 0 50 EFAA CCCn1ncc(NC(=O)c2cccc(CN3CC=CCC3)c2)n1 65457513 GRWFGAMHKSNAFJ-UHFFFAOYSA-N 325.416 2.702 0 50 EFAA O=C(NC[C@@H]1OCCc2ccccc21)c1cccc(Cn2cccn2)c1 65426967 MTKGSZXVCRXHQA-FQEVSTJZSA-N 347.418 2.975 0 50 EFAA CCOC(=O)N1CCN(CC(=O)c2ccc(Cl)cc2Cl)CC1 36372550 ADCQZDNVAVDMSY-UHFFFAOYSA-N 345.226 2.950 0 50 EFAA C[C@H]1CN(c2ccnc(Cc3ccccc3)n2)C[C@@]2(CCCOC2)O1 253432207 WZHOLRUUDYPTQM-OXJNMPFZSA-N 339.439 2.842 0 50 EFAA Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1F 36636400 KFLLOBVNYHGBEK-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA CC1(C)[C@H](NC(=O)NC[C@@H]2COc3ccccc3C2)[C@@H]2CCCO[C@H]21 230091533 NJLNVIZZHMUDRJ-AETAKHFUSA-N 344.455 2.741 0 50 EFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 253433350 VYWARDINPWPPFM-HUUCEWRRSA-N 344.419 2.754 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 363110018 GMMYURLKAIBJTI-IAGOWNOFSA-N 329.444 2.734 0 50 EFAA COc1cccc([C@@H](CNC(=O)Nc2ccncc2C)N(C)C)c1 121475062 ZITQCZNPIWVBSQ-QGZVFWFLSA-N 328.416 2.823 0 50 EFAA COc1cc(F)c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)cc1OC 77538593 YTDNNMCVRMOSDE-ZDUSSCGKSA-N 338.423 2.532 0 50 EFAA OC1(c2ccc(Cl)cc2)CN(Cc2nccn2CC(F)(F)F)C1 365674174 KJUYKDMRNQHOSM-UHFFFAOYSA-N 345.752 2.802 0 50 EFAA CC[C@H](C)n1nc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1C 331620543 XTGLXFWTJSIMGK-NSHDSACASA-N 340.431 3.313 0 50 EFAA O=C(Nc1nc2c(s1)COCC2)Nc1c[nH]nc1-c1nccs1 442040154 DUPIVXMWRMZCPX-UHFFFAOYSA-N 348.413 2.706 0 50 EFAA Cc1cc(N2CCN(C(=O)COCc3ccccc3)CC2)cc(C)n1 77437504 SPIRBJVVCYPCMF-UHFFFAOYSA-N 339.439 2.564 0 50 EFAA COC[C@@H]1CCCN1Cc1cc(C)cc(CN2CCN(C)CC2)c1C 216396001 CAOJDHVONXNGLM-NRFANRHFSA-N 345.531 2.662 0 50 EFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc(-n2cccn2)c1 77539314 MZQDTVBIAQQHJX-QGZVFWFLSA-N 349.390 2.832 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@H](CN)C[C@@H]2C)c2ccccc12 447244555 LCAVJMDHKLDWHM-KBPBESRZSA-N 348.468 2.596 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ncccc2O)CC1 174510064 FRTCRBDOBCDLBY-CYBMUJFWSA-N 345.830 2.960 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@H](c2ccncc2)C1 496315579 VLHMDSDIMJSYCW-JKSUJKDBSA-N 345.443 2.797 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)sc1C 175308089 RKTWHUDOJVYZMT-CABCVRRESA-N 349.500 2.805 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 222887977 CWCXGDJZMULHIE-HNNXBMFYSA-N 337.427 2.782 0 50 EFAA C[C@@H](NC(=O)N(C)C1CCOCC1)c1cnn(-c2ccccc2)c1 426740409 HYNLOZCDTKVUIV-CQSZACIVSA-N 328.416 2.754 0 50 EFAA OCc1ccccc1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O 426512372 XWOZIZDSCSKOCD-UYAOXDASSA-N 325.408 2.736 0 50 EFAA Cc1ccccc1CN(CCO)C(=O)N[C@@H](C)Cc1ccccn1 426401767 HRQBDMMZKBPODW-INIZCTEOSA-N 327.428 2.525 0 50 EFAA CCOCCOc1cccc(NC(=O)NC[C@@H]2CCCCCN2)c1 97823471 YTRFMHLRDWZTCR-INIZCTEOSA-N 335.448 2.756 0 50 EFAA Cc1nc(-c2ccccc2C(F)(F)F)n([C@@H]2CCS(=O)(=O)C2)n1 91616358 XQVDWZORQYILTM-SNVBAGLBSA-N 345.346 2.632 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1c(C)noc1C)C2 95515172 DRMPLAMHVRZEHL-AWEZNQCLSA-N 344.411 2.600 0 50 EFAA Cc1cc2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)ccc2o1 91493745 URVIGRJLYWKKJF-SFHVURJKSA-N 348.402 2.925 0 50 EFAA CCCn1cc(CNC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cn1 91818307 JCLAYIWVCBHJPG-UHFFFAOYSA-N 339.399 2.622 0 50 EFAA O=C1N[C@H](C(=O)NCCCSC2CCCCC2)Cc2ccccc21 97636589 ABUMAYSPLJKCAZ-KRWDZBQOSA-N 346.496 2.913 0 50 EFAA O=C(C1CCC1)N1CCCN(C[C@H]2CCOc3ccccc3C2)CC1 95519417 YKYLHGSXJWESKK-KRWDZBQOSA-N 342.483 2.962 0 50 EFAA O=C(CCOc1ccccc1Cl)N1CCCC[C@@H]1c1nc[nH]n1 181180695 XUAVVNQMIAPIPK-CYBMUJFWSA-N 334.807 2.981 0 50 EFAA C[C@@H](Cc1cnccn1)N(C)CCC(=O)Nc1ccc2c(c1)CCC2 244601802 DRZUUJFMMZVXKT-HNNXBMFYSA-N 338.455 2.857 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)s1 296139104 PJZVJRTXRHRWEQ-OAHLLOKOSA-N 345.468 2.826 0 50 EFAA CNc1nnc(CC(=O)N2CCC(Cc3cccc(F)c3)CC2)s1 183522439 QUYYJBHSUCUUIE-UHFFFAOYSA-N 348.447 2.743 0 50 EFAA CN(C(=O)NCCC1(O)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 534655978 NFDOESNTWAGFRP-GOSISDBHSA-N 345.487 2.598 0 50 EFAA CN(C)CCCOc1ccc(-c2ccc(N3CCOCC3)cc2)cn1 96137061 FOXWHNNTKANQSV-UHFFFAOYSA-N 341.455 2.916 0 50 EFAA CN(C)c1ccc(C(=O)NC[C@H]2CCOc3ccccc3C2)cn1 299779503 FYLNNPMPCFQVLQ-AWEZNQCLSA-N 325.412 2.519 0 50 EFAA COc1ccc(NC(=O)N(C)Cc2cc(C)no2)cc1NC(C)=O 299802848 XBTSWERBOGHOII-UHFFFAOYSA-N 332.360 2.614 0 50 EFAA CCN1CCN(CCOc2ccc(CN3C[C@H]4CC[C@H]3C4)cc2)CC1 823116371 IVVOMHRZJAFEKW-PMACEKPBSA-N 343.515 2.687 0 50 EFAA C[C@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)C1=CCCCC1 828269762 YJWDBBPCFYZVIP-ZDUSSCGKSA-N 341.411 2.752 0 50 EFAA O=C(NCc1cc(C2CC2)on1)N1CCCC[C@H]1CCn1cccn1 584892817 NFBLRHKKINQVBL-INIZCTEOSA-N 343.431 2.903 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)NC1(C(N)=O)CCCC1 584896100 DCXYTCLLKWSEQO-CQSZACIVSA-N 345.443 2.695 0 50 EFAA COc1ccccc1OCc1nc(C(C)(C)N)n(CC(F)(F)F)n1 952969923 BDCCDHMADLTTCN-UHFFFAOYSA-N 344.337 2.622 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2c(Cl)nc3ccccn23)n[nH]1 408469320 DWBFSRGQMUKRHY-LLVKDONJSA-N 344.806 2.782 0 50 EFAA Cn1ccnc1CN1CCO[C@H](c2ccccc2Br)C1 408512813 WFIFCRHTLWQGAM-AWEZNQCLSA-N 336.233 2.756 0 50 EFAA CC(=O)c1cc(Br)cc(F)c1OCCC1OCCO1 163793030 GVAYLIRHSRJZKJ-UHFFFAOYSA-N 333.153 2.933 0 50 EFAA C[C@H](NC(=O)C1CC=CC1)c1cc(F)ccc1N1CCC(O)CC1 86639821 PODQAMAPRRGUBJ-ZDUSSCGKSA-N 332.419 2.930 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1csc(C2CC2)n1 275349613 TUXQXZBSTAFRGR-HOCLYGCPSA-N 332.473 2.991 0 50 EFAA Cn1cnc2cc(C(=O)NC(C)(C)CCN3CCCCCC3)cnc21 185760389 XNLOJSRRNQLRAV-UHFFFAOYSA-N 343.475 2.743 0 50 EFAA 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CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2O)C1 182067864 FJYNXSCDDSDFJD-RISCZKNCSA-N 342.361 2.967 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1cnn(-c2ccccc2F)c1 252516769 WUODGXLSIASXPX-KCQAQPDRSA-N 331.391 2.740 0 50 EFAA Cc1cc(=O)n(CC(=O)NCCCOC2CCCC2)c2ccccc12 299758500 LTCZUTLYBVXQSW-UHFFFAOYSA-N 342.439 2.775 0 50 EFAA CCCn1ncc(C(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C 823032822 DCZIAGOCBHKOSR-UHFFFAOYSA-N 345.443 2.933 0 50 EFAA Cc1nnc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)c2ccccc12 584898931 PQVUYWUWOMVJPV-MRXNPFEDSA-N 333.391 2.812 0 50 EFAA COc1cccc2c1OC[C@H](NC(=O)C1(N3CCCC3)CCCC1)C2 824801320 JPKRCOLQVXQHOZ-MRXNPFEDSA-N 344.455 2.524 0 50 EFAA CC[C@H](NC(=O)c1cnc2sccn2c1=O)c1nc(C)c(C)s1 670451536 AQMNAFOURDHMFE-NSHDSACASA-N 348.453 2.710 0 50 EFAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1 952985832 HQVUNIGKBNXGLU-ZWKOTPCHSA-N 328.387 2.599 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)CCc1nc2ccccc2[nH]1 952868895 BXFWFGDLYMSUPW-KRWDZBQOSA-N 338.411 2.737 0 50 EFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCN(CC(F)F)CC2)s1 165044750 XDZUDWMNFUCOEG-OLZOCXBDSA-N 328.428 2.959 0 50 EFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ncc[nH]2)C1 404386679 XUURWOFICWWDPE-SNVBAGLBSA-N 345.346 2.607 0 50 EFAA Cc1cc(C)cc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 170620586 LXMWMWBHBFQAHH-UHFFFAOYSA-N 332.425 2.758 0 50 EFAA CCc1cnc(CCNC(=O)N2CCC([C@@H]3CCCO3)CC2)s1 187586274 GGGQRCLDNXRILD-HNNXBMFYSA-N 337.489 2.849 0 50 EFAA Cc1noc(C)c1CCn1cnc2c(sc3ncccc32)c1=O 641496726 BLRUBHZMMGMZAC-UHFFFAOYSA-N 326.381 2.854 0 50 EFAA C[C@@H]1CN(C(=O)c2cnsn2)c2cc(Br)ccc2O1 195270968 KGCJDWJHXRKIOU-SSDOTTSWSA-N 340.202 2.728 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2CCCc3sccc32)C1 779856387 YCOUNFIWWSLNDM-MRVWCRGKSA-N 347.440 2.848 0 50 EFAA CN(C)C(=O)c1cccc(NCCOc2cccc3cccnc23)n1 1529168143 YDHDNNMZRUZNJY-UHFFFAOYSA-N 336.395 2.823 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3ccc(CC(C)C)cc3)C[C@H]2O)n[nH]1 1529134060 ZCFJOYXWYBFRME-UYAOXDASSA-N 327.472 2.952 0 50 EFAA CCNc1ncc(-c2nccn2[C@@H](C)[C@H](O)c2ccc(O)cc2)cn1 216616801 UVELLFUEMFUFIB-LRDDRELGSA-N 339.399 2.772 0 50 EFAA CCN(C[C@@H]1CCOC1)C[C@@H](O)c1ccc(Br)cc1 229577545 GKLQAAYCXRUNIK-SWLSCSKDSA-N 328.250 2.841 0 50 EFAA O=C(NCCc1ccccn1)c1coc(COc2ccc(F)cc2)n1 11937655 VACIEMLCGJYDBX-UHFFFAOYSA-N 341.342 2.760 0 50 EFAA COc1ccc(OC)c(CNC(=O)c2cn(C3CCCCC3)nn2)c1 12056820 UBFFWFPGLBSKTG-UHFFFAOYSA-N 344.415 2.731 0 50 EFAA COCC(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 12438637 YJKMWXPCCNXXSK-LBPRGKRZSA-N 329.318 2.773 0 50 EFAA COC(=O)c1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)cc1 15800674 DONFCUBVOUEBJG-JYRVWZFOSA-N 328.349 2.872 0 50 EFAA COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1 16091223 MNBDBHHKEBVECW-OAHLLOKOSA-N 336.413 2.826 0 50 EFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19360247 QNBFSPUDPMWLDR-UHFFFAOYSA-N 340.423 2.742 0 50 EFAA Cc1ccncc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857672583 GKDFODYENFVJFQ-DSKINZAPSA-N 336.435 2.988 0 50 EFAA COc1cccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)c1 200514 BTZRRXDIXARGNS-UHFFFAOYSA-N 332.303 2.575 0 50 EFAA CCC(=O)N1CC[C@H](C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)C1 127020519 JNMFSOMELVXMCI-AWEZNQCLSA-N 340.427 2.891 0 50 EFAA Cc1nc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)ccc1Br 349249996 XCOSRRKQBFLGKY-IACUBPJLSA-N 341.249 2.519 0 50 EFAA CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1 252497911 HXGLNNZBHPIGHU-UOIKSKOESA-N 337.485 2.964 0 50 EFAA CCOC(=O)c1cc(NC(=O)c2ncccc2Br)c[nH]1 252489835 KBWJENUWCDVENX-UHFFFAOYSA-N 338.161 2.601 0 50 EFAA CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 363320142 YBAMQLFWPSWLNW-IEBWSBKVSA-N 338.455 2.961 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)C2CC=CC2)C1 371231052 OBAXKTKEGSPHNT-WBVHZDCISA-N 338.411 2.726 0 50 EFAA C[C@]1(C(=O)N(Cc2ccccc2)CC2CCC2)CCCS1(=O)=O 902864290 IJEOIMCQCBEMFX-GOSISDBHSA-N 335.469 2.783 0 50 EFAA O=C(c1ccnc2[nH]c(CC3CC3)nc12)N1C[C@@H](CO)c2ccccc21 820527367 WFPZMEVMDRBCAM-ZDUSSCGKSA-N 348.406 2.647 0 50 EFAA CN(C(=O)C[C@H]1CC(=O)Nc2ccccc21)C(C)(C)CN1CCCC1 822953631 YAIWCPFLCRDKLL-OAHLLOKOSA-N 343.471 2.835 0 50 EFAA O=C(c1ccccc1-n1cccc1)N1CCC[C@@H](Cn2cncn2)C1 933238132 SJXCOFGGPBXSCO-MRXNPFEDSA-N 335.411 2.621 0 50 EFAA C[C@H](NC(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@@H](O)c1ccccc1 1141763213 KITSMGPCKZMRRF-APPDUMDISA-N 340.354 2.728 0 50 EFAA COc1cc(-c2noc([C@@H]3CCCCN3C)n2)cc(OC)c1OC 952876089 QGZQWDOPOQPDIU-LBPRGKRZSA-N 333.388 2.919 0 50 EFAA COc1ccc(C2=NO[C@@H](CN[C@@H](C)c3cc(C)on3)C2)cc1F 952878008 XMGVPJGCPDHJGF-WCQYABFASA-N 333.363 2.975 0 50 EFAA CC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H](CC(=O)O)O1 1875283488 UNDHAIDADUQLLQ-HNNXBMFYSA-N 329.400 2.531 0 50 EFAA CC1CCC(Oc2cc(CNC(=O)[C@@H]3C=C[C@@H]3C(=O)O)ccn2)CC1 1875319137 QIWBFHYJWUTHNZ-GDVJOBBMSA-N 344.411 2.542 0 50 EFAA CCc1ncoc1C(=O)N1CCN(C(=O)CC(C)(C)C2CC2)C[C@@H]1C 1875358293 QIGFVQSGJNZNRT-ZDUSSCGKSA-N 347.459 2.736 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)nc1 1875398084 AHVIWRVZBXJAMK-RAIGVLPGSA-N 326.322 2.549 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)N(C)C1CCC1 1875326160 CKYXGLJAAYQUCO-MSOLQXFVSA-N 330.428 2.988 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](C)(NC(=O)[C@@H]3COC(C)(C)C3)C2)co1 1875407140 UAAPTQXJKKFEIA-KXBFYZLASA-N 348.443 2.514 0 50 EFAA CC(C)[C@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1cnn(C)c1 885417776 WRLBDQXTIXHJOO-IBGZPJMESA-N 327.428 2.801 0 50 EFAA Cc1cc(C)c(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)o1 886095254 PDQSTBXWWWLQBS-QGZVFWFLSA-N 343.427 2.647 0 50 EFAA O=S(=O)(c1ccc(NCc2ccccc2CO)cc1)N1CCCC1 891949723 APKVZYXIDJNGCR-UHFFFAOYSA-N 346.452 2.576 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12 8715016 JFQDCWOCOLKGPJ-UHFFFAOYSA-N 328.393 2.722 0 50 EFAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 189846 WEVVRNMDPFEJCW-UHFFFAOYSA-N 347.392 2.662 0 50 EFAA O=C(NCc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCc2nccn2CC1 2325803135 SBGGXXQGJCJYNJ-OAHLLOKOSA-N 335.411 2.542 0 50 EFAA c1ccc(-c2ncc(CN[C@@H]3CCCN(c4cnccn4)C3)[nH]2)cc1 2325825955 JAXHYTOTVZMYSQ-MRXNPFEDSA-N 334.427 2.625 0 50 EFAA COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@@H](C)c1nccs1)C2 225458642 KKVKTYRNDXNBMU-HWWQOWPSSA-N 337.445 2.579 0 50 EFAA Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)c1C 204935 ZQVWVLHRJCXSMM-IAGOWNOFSA-N 344.455 2.843 0 50 EFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cccnc1 442094 KKPQBMNLGPZUMB-UHFFFAOYSA-N 332.713 2.575 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 585107 FOIHMQOPHKNMHA-UHFFFAOYSA-N 330.409 2.723 0 50 EFAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc2ccccn12 2356151307 CGRKHWDTHDUANL-UHFFFAOYSA-N 333.391 2.996 0 50 EFAA Cc1c(CN2CCC[C@@]23CCCN(CCO)C3=O)oc2ccccc12 2356168625 KZQRNYCMPQGRIS-HXUWFJFHSA-N 342.439 2.691 0 50 EFAA COCCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4697003 CAXFGXMSLPUQLN-OBGWFSINSA-N 338.407 2.610 0 50 EFAA C[Si](C)(C)CCNC(=O)CNC(=O)Cc1cccc2ccccc12 225577855 XIJSNSMIJKRNSO-UHFFFAOYSA-N 342.515 2.953 0 50 EFAA COc1ccccc1[C@H](C)CC(=O)N1CCN(CC(F)(F)F)CC1 171272622 CNYQHPOGBLFXPQ-CYBMUJFWSA-N 344.377 2.895 0 50 EFAA Cc1ccc(CCNC(=O)NC2CCN(CC3CCCC3)CC2)cn1 111480922 QEAOOILWYAVAJQ-UHFFFAOYSA-N 344.503 2.886 0 50 EFAA COc1cc(CCC(=O)N2CCO[C@@H](C(C)(C)C)C2)cc(OC)c1 225738001 YKEHPCTVPPLGLM-QGZVFWFLSA-N 335.444 2.910 0 50 EFAA c1ccc(C(c2ccccc2)N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)cc1 102780060 JSTZXWLPWQBLGC-ZBYYUNFXSA-N 347.506 2.859 0 50 EFAA CN1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)CC1 20661094 CLIBJLIINQPKAY-UHFFFAOYSA-N 347.418 2.563 0 50 EFAA O=c1cc(CSc2ccccn2)[nH]c2nc(-c3ccccc3)nn12 100071881 LDXXNKGWTLYPSA-UHFFFAOYSA-N 335.392 2.772 0 50 EFAA CC(C)(C)CN1CCN(Cc2c(F)cccc2F)C[C@H]1CCO 104392169 LMLVOUMSRFXBLR-CQSZACIVSA-N 326.431 2.880 0 50 EFAA CN(CC(=O)Nc1ccccc1)C(=O)C[C@H]1OCCc2ccccc21 115025847 AIXOJWJBSPNAHU-GOSISDBHSA-N 338.407 2.788 0 50 EFAA O=C(NCc1ccccn1)C1(Oc2ccc(Cl)cc2)CCNCC1 65452697 BFAFJMHROPFOGM-UHFFFAOYSA-N 345.830 2.552 0 50 EFAA Nc1cccc(C(=O)NC[C@H]2CCN(Cc3cc(F)cc(F)c3)C2)c1 67723770 WEZXZGJBXFWHDS-CYBMUJFWSA-N 345.393 2.799 0 50 EFAA Fc1ccc(N2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 301070604 GXCITPNAABWMRH-UHFFFAOYSA-N 338.390 2.518 0 50 EFAA CC(C)c1cc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)ncn1 1364251817 QIASHBYVLRWGDE-SNVBAGLBSA-N 340.353 2.928 0 50 EFAA O=C(NCCc1[nH]nc2c1CCCC2)c1cccc(Cn2cccn2)c1 67788845 RRXISLOZOCGPFK-UHFFFAOYSA-N 349.438 2.506 0 50 EFAA O=C(C1CCN(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1)N1CCCCC1 252517436 IMQDRMCKJADXTF-NNPSNHGLSA-N 330.472 2.530 0 50 EFAA CCOCC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 71759569 BWYLPSCDTLBNNT-GOSISDBHSA-N 329.396 2.785 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1cc(-c2ccccn2)no1 72161780 LACAMCZUHXEXQW-GOSISDBHSA-N 327.384 2.798 0 50 EFAA O=S(=O)(CCN1CCOC[C@@H]1c1ccccc1)Cc1ccccc1 328588093 SUAIVQATTDEFOK-LJQANCHMSA-N 345.464 2.675 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CCO2)o1 328610552 IJYILJUVYGRPGJ-JONQDZQNSA-N 333.432 2.884 0 50 EFAA COc1cccc(C[C@H]2CN(Cc3ccccc3C(=O)O)CCO2)c1 71758879 JBIDLXCJKQVHCQ-SFHVURJKSA-N 341.407 2.837 0 50 EFAA COCCC1(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)CCCC1 359996830 RYXUWTBVCPTOGM-LJQANCHMSA-N 335.419 2.843 0 50 EFAA CCc1noc(C)c1C[S@](=O)Cc1nc(O)cc(C(F)(F)F)n1 155277507 RPFDEFXDPVFCGD-HSZRJFAPSA-N 349.334 2.509 0 50 EFAA CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 157283031 PEJCMVNXMLGXBP-QGZVFWFLSA-N 348.443 2.926 0 50 EFAA O=C(O)c1cccc(S(=O)(=O)N[C@H]2CCCOc3ccccc32)c1 371840043 CPSRTVGYGVQEPE-HNNXBMFYSA-N 347.392 2.577 0 50 EFAA COCC1(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCC1 337533592 FAYRDBAQIAAJMW-UHFFFAOYSA-N 331.416 2.517 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(C2CC2)on1 241301065 LQAOSBCIPPNOBB-MRXNPFEDSA-N 325.412 2.946 0 50 EFAA Cn1ncc2c(N[C@H](CO)c3ccccc3)nc(-c3cccnc3)nc21 72126406 RGVRZIDUEQYKCI-MRXNPFEDSA-N 346.394 2.571 0 50 EFAA CC[S@@](=O)c1ccccc1C(=O)NCC(C)(C)C1(O)CCCC1 456853145 DAFCWHDVHQDBKF-HSZRJFAPSA-N 337.485 2.875 0 50 EFAA CCOc1cccc(-c2cccc(NC(=O)c3nccnc3N)n2)c1 377010973 CFJSVRZHFSPAHC-UHFFFAOYSA-N 335.367 2.772 0 50 EFAA COc1c(F)cc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)cc1Cl 72432723 XMHAEEBUBGFUGG-MRXNPFEDSA-N 342.798 2.904 0 50 EFAA O=C(O)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CC1 238078706 ODEKRESXOBNUMD-VXGBXAGGSA-N 343.301 2.764 0 50 EFAA CN(C(=O)C1CCOCC1)[C@@H]1CCCN(CCc2ccccc2)C1 15061708 HUQRNPWLTQCZEA-LJQANCHMSA-N 330.472 2.579 0 50 EFAA COc1c(C)cnc(CN2CCCC[C@H]2CCN2CCOCC2)c1C 72428336 DLEWWOLYQCWTGB-SFHVURJKSA-N 347.503 2.784 0 50 EFAA C[S@](=O)Cc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 173449934 HRMZVPNVVAAORQ-QFIPXVFZSA-N 333.375 2.980 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)C1CCC(Cn2cnnn2)CC1 40267456 AQPUENQKYIFSLE-FAEJEUNOSA-N 341.459 2.617 0 50 EFAA CC(C)n1ncnc1CN1C[C@@H](COc2ccccc2)OC(C)(C)C1 284551659 MPPZCIZERPQXNV-KRWDZBQOSA-N 344.459 2.917 0 50 EFAA COc1ccc(C)cc1[C@H](O)CN1CCO[C@@H](c2nc(C)cs2)C1 222187737 MQWLKVCONTZVPH-NVXWUHKLSA-N 348.468 2.875 0 50 EFAA Cc1noc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCN2C)n1 284867323 MQELUMUUNKMQFZ-AWEZNQCLSA-N 340.383 2.562 0 50 EFAA O=S(=O)(CCNc1ncc(Cl)cn1)c1ccc(Cl)cc1 175038550 MNECRURGEVVNPX-UHFFFAOYSA-N 332.212 2.669 0 50 EFAA O=C(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)Nc1nccs1 287623004 ZVEAUNDGSLJAHE-LBPRGKRZSA-N 347.444 2.959 0 50 EFAA Cn1cnnc1CCC(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 426578570 JOYINIOSMVAPIN-UHFFFAOYSA-N 341.415 2.503 0 50 EFAA COCCCCCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C 82106873 IRNCJBGDXREFGC-INIZCTEOSA-N 332.444 2.766 0 50 EFAA CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CCC[C@H]1CCCO1 426414921 ZPPXULHNUIXFMS-INIZCTEOSA-N 347.459 2.740 0 50 EFAA COC(=O)c1ccc(NC(=O)N(C)Cc2noc(C3CC3)n2)c(C)c1 96166236 KMRCJOLGQPXAFH-UHFFFAOYSA-N 344.371 2.706 0 50 EFAA O=C(c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1)N1CC[C@@H](O)C1 426493198 OFFDWTVZXHBGIP-CQSZACIVSA-N 347.317 2.882 0 50 EFAA Cc1ccccc1N1CCC(N2CC[C@@]3(CCCN(C)C3=O)C2)CC1 91895883 GDMJZQJQQFEMJI-NRFANRHFSA-N 341.499 2.908 0 50 EFAA COC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 91547623 BUWHUOXWAHIHCA-IBGZPJMESA-N 330.428 2.700 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCn2nccc2C)C1 95516848 QOLOAMVZCJWHBA-QGZVFWFLSA-N 343.475 2.984 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)N1CC[C@H](Cc2cccc(CO)c2)C1 91486057 WDWFBFLUAZXUHV-MRXNPFEDSA-N 349.434 2.689 0 50 EFAA Cc1nn(C)cc1NC(=O)CN(C)CCCSc1ccccc1 244723819 MHVIHFQEEKAMCY-UHFFFAOYSA-N 332.473 2.781 0 50 EFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)CCCC(=O)C(C)(C)C)cn1 296113718 VOCMETAUFSODIO-KBXCAEBGSA-N 348.443 2.822 0 50 EFAA CC[C@H](NC(=O)Cn1nc(C)cc1N)C12CC3CC(CC(C3)C1)C2 244633451 GDGDVJMOFMAQBO-DZPQGLOJSA-N 330.476 2.885 0 50 EFAA CC[C@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)NC2CC2)CC1 299742330 BFHQIBZQXJLHHO-MSOLQXFVSA-N 334.435 2.628 0 50 EFAA CN1CCC[C@H](CCC(=O)NCc2nc(C3CCCCC3)no2)C1 299802078 WNYIIDQHTDKTNZ-CQSZACIVSA-N 334.464 2.856 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1C 828133683 NZQLQGDSCCFVNE-HNNXBMFYSA-N 343.427 2.994 0 50 EFAA CC(C)[C@H](CO)NC(=O)c1cccc(-c2ccc3oc(O)nc3c2)c1 584891808 CKZPNUXCQXILQQ-INIZCTEOSA-N 340.379 2.947 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2c(=O)s1 888090765 RYZFBRWGAXOEMJ-UHFFFAOYSA-N 339.372 2.920 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)cn1 270942610 NRNHJVGTCVMGCQ-LBPRGKRZSA-N 325.206 2.818 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ccnc(Cc2ccccc2)n1 275534271 MDSBJQPVJNBYSK-OXJNMPFZSA-N 349.438 2.991 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc[nH]n1)CC2 276715905 RFINDIVCSRZJAY-UHFFFAOYSA-N 348.447 2.663 0 50 EFAA CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCCCC3)ccc21 170597001 SOUBFZVDEYCMPA-UHFFFAOYSA-N 338.429 2.569 0 50 EFAA Cc1cnccc1CNC(=O)c1ccccc1S(=O)(=O)C(C)C 188867744 UOKVDXKFTULJRF-UHFFFAOYSA-N 332.425 2.502 0 50 EFAA CCc1ccc([C@H]2COCCN2Cc2nccc(OC)c2OC)o1 190584025 NXBYSONZGYLTNY-OAHLLOKOSA-N 332.400 2.828 0 50 EFAA C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCCCNC4=O)cc3c2C1 194129750 GOLGPCYGQGXZLH-XIKOKIGWSA-N 339.439 2.691 0 50 EFAA COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ncccc2C)cc1 762378855 RJZKHJDMKCJJLT-PXNSSMCTSA-N 340.423 2.911 0 50 EFAA COc1ccccc1[C@H]1CN(Cc2noc(C(C)C)n2)C[C@@H]1C(=O)O 1616105896 PBTKGPLXVIZEOG-KGLIPLIRSA-N 345.399 2.502 0 50 EFAA CSCc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)o1 1529169284 SZJUPSZWLSVZKA-IAGOWNOFSA-N 347.436 2.717 0 50 EFAA O=C(CCC(F)(F)F)N1CCCN(C(=O)C2CCCCC2)CC1 1523160237 ITLPQMXRZJRALD-UHFFFAOYSA-N 334.382 2.970 0 50 EFAA CCc1nn(C)c(NC(=O)c2cc(OC)cc(C(=O)O)c2)c1CC 1529167898 QZZGESNBRUQWQP-UHFFFAOYSA-N 331.372 2.504 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](N)C1 237036991 VXWQWESGRRDCJF-WCQYABFASA-N 325.250 2.577 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1ccc(Cl)cc1 1704336311 FWTABIWWHKTUQN-UHFFFAOYSA-N 334.851 2.586 0 50 EFAA CC(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 12373447 CJQCJHAGRMBOSN-LJQANCHMSA-N 335.536 2.975 0 50 EFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C 14745250 CYOQYFACQLZVBV-OAHLLOKOSA-N 329.444 2.714 0 50 EFAA CNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 14978964 SETWGSYYESGSNJ-UHFFFAOYSA-N 328.387 2.791 0 50 EFAA CCc1ocnc1C(=O)NCc1cccnc1-n1cnc2ccccc21 15070260 JREXDFALKZWARG-UHFFFAOYSA-N 347.378 2.901 0 50 EFAA CN1CCCC[C@@H]1CNC(=O)c1coc(COc2cccc(F)c2)n1 15079142 XCXRAAWVQPKDKR-CQSZACIVSA-N 347.390 2.607 0 50 EFAA Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1 18068168 QGFBFJBHEFCMAZ-UHFFFAOYSA-N 327.417 2.532 0 50 EFAA CCOC(=O)CN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 4514271 PLWTYEHXKSQBRH-RIYZIHGNSA-N 344.392 2.778 0 50 EFAA CCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 4688000 XMESZDKQLWCEAB-RIYZIHGNSA-N 344.392 2.871 0 50 EFAA Cc1cc2cccc(C(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)c2o1 1857694142 BYBADCXEOXPINU-HNNXBMFYSA-N 343.379 2.695 0 50 EFAA Cc1noc([C@@H]2CN(c3ncc(Cl)cc3Cl)CCN2C)n1 408031853 PUKDGMOLYGEIIF-NSHDSACASA-N 328.203 2.573 0 50 EFAA CSCc1cc(F)ccc1CNC(=O)NC[C@H]1CC[C@@H](O)C1 225586393 KDDRLIYDWIFGLQ-XHDPSFHLSA-N 326.437 2.649 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)nn1C(C)C 331435513 JQQGKYUSWDYHRR-AWEZNQCLSA-N 348.369 3.084 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1Cl 337236832 CLQXVBOCUPIBPX-VNQPRFMTSA-N 325.836 2.581 0 50 EFAA O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@@H]1CCO[C@@]2(CCOC2)C1 241884844 SYHKGKOAMSMKBA-AYBZRNKSSA-N 348.418 2.840 0 50 EFAA Cc1ccccc1CN1CCCN(C(=O)C[C@@](C)(O)C2CC2)CC1 366846075 YHJCBZCMVZPFOK-HXUWFJFHSA-N 330.472 2.580 0 50 EFAA CN1C[C@@H]2[C@@H](CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1=O 375420926 AIAGHWAQOQQAID-LVQVYYBASA-N 332.831 2.523 0 50 EFAA O=C(O)[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263573950 NCHMSAHAIUGEES-NOZJJQNGSA-N 343.210 2.505 0 50 EFAA O=S(=O)(c1occc1Br)N1CCCc2ncccc21 903634105 VUGNUOLCZLGFLF-UHFFFAOYSA-N 343.202 2.579 0 50 EFAA Cc1cc(Cc2nc(-c3ccc(N4CCCNC4=O)cc3)no2)no1 904108795 SNYRANQAQRYAGT-UHFFFAOYSA-N 339.355 2.544 0 50 EFAA CC(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2)c(Cl)c1 904827947 NHXNHRNTGZDQKJ-UHFFFAOYSA-N 331.803 2.961 0 50 EFAA O=C(Nc1cn(Cc2ccccc2)nn1)N[C@@H]1CCCc2cccnc21 930974097 LVFZUVWDEAETEE-MRXNPFEDSA-N 348.410 2.921 0 50 EFAA C[C@H](O)C(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](c2ccccc2)C1 1875265536 QQNYDIKBFNYTJL-DOPJRALCSA-N 329.371 2.848 0 50 EFAA Cc1cccc(C2=CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)c1C 1875271877 JRHKCKCREQDRDD-MRXNPFEDSA-N 345.464 2.868 0 50 EFAA Cc1ccc(CN2C[C@H](c3ccc(F)cc3F)[C@@H](C(=O)O)C2)cn1 1875267045 QTEWDROVTJGXGE-CVEARBPZSA-N 332.350 2.968 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cn4cccnc4n3)cc2)n1 1875322764 GSMILKARVRSXQG-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CO[C@@H]1CN(Cc2c(Cl)oc3ccccc23)C[C@H]1c1cn(C)nn1 886093960 KXGREFFNCHEWGO-XJKSGUPXSA-N 346.818 2.829 0 50 EFAA CC(=O)N1C[C@@H](NCc2ccc3c[nH]nc3c2)CC[C@H]1C(F)(F)F 886036087 ZMVYHXCWLWBTSS-ZFWWWQNUSA-N 340.349 2.594 0 50 EFAA C[C@H](NC(=O)NCc1cc(C(F)(F)F)n(C)n1)c1cccc(O)c1 894457648 FVRVEWGLWVRPMZ-VIFPVBQESA-N 342.321 2.705 0 50 EFAA CC(=O)c1ccc(Cl)nc1N1CCC(CN=S(C)(C)=O)CC1 1775989999 HRGAFUKQIHMNIE-UHFFFAOYSA-N 343.880 2.882 0 50 EFAA CC(C)C(=O)N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988439 AKSDZAOPPWOCPG-NEPJUHHUSA-N 338.333 2.974 0 50 EFAA C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1c(F)cncc1F 1776002253 SROBWNDPCMVLCJ-LLVKDONJSA-N 345.349 2.978 0 50 EFAA CC[C@@H](C)[C@H]1COCc2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21 642771803 DZWQLOYKHQEXCR-HTQZYQBOSA-N 348.295 2.973 0 50 EFAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ccccc2)C1 4751788 HSDUMJQASVXANM-OAHLLOKOSA-N 345.420 2.636 0 50 EFAA CCCN1CCC[C@@]2(CCCN2Cc2ccc3c(c2)OCO3)C1=O 2100545608 YOSDSBOZBFWDEU-LJQANCHMSA-N 330.428 2.782 0 50 EFAA Cc1nnc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)cc2)o1 2325781228 ZEDBXTWAARLICY-UHFFFAOYSA-N 337.383 2.583 0 50 EFAA O=C(NCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1c(F)cccc1F 116169259 PFKFNCQHDOGPNR-VXGBXAGGSA-N 346.381 2.703 0 50 EFAA COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1O 187075 FJJFUMBHEOHXLC-RHSMWYFYSA-N 338.363 2.570 0 50 EFAA biogenic COC(=O)c1ccccc1C(=O)Nc1ccc(Br)cn1 208791 DWNRSESYLCNDET-UHFFFAOYSA-N 335.157 2.883 0 50 EFAA COc1ccc(Nc2nc(NC(C)(C)C)nc(OC)n2)c(OC)c1 296536 YYTYFYCADXKXEL-UHFFFAOYSA-N 333.392 2.851 0 50 EFAA Cc1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 389217 MLUMWZJTSCYSJX-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc(O)n1 133363823 DHTRGFJMXCDKRP-UHFFFAOYSA-N 339.395 2.974 0 50 EFAA Cn1ccc(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)n1 225466909 XGUOOPCKMAFBBB-UHFFFAOYSA-N 339.443 2.792 0 50 EFAA COc1nc(N(C)C)sc1/C=C1/N=C(c2cc(C)oc2C)OC1=O 225517887 WODCFICQALIQDC-YRNVUSSQSA-N 347.396 2.772 0 50 EFAA CC[C@H](CO)N(Cc1ccc(-c2nnn[nH]2)cc1)Cc1cccs1 55132894 YFXDWOZMPRNUPN-OAHLLOKOSA-N 343.456 2.701 0 50 EFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1ccc(CSC)o1 55152909 LLPVZTNYDHTHGI-CQSZACIVSA-N 334.441 2.951 0 50 EFAA O=C(CN1CCN(Cc2cccc(F)c2)CC1)NC1CCCCCC1 20437832 QGIYKCZWVOAEDD-UHFFFAOYSA-N 347.478 2.782 0 50 EFAA CCC[C@H]1C=CCN1C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67855433 HAPZIMYOFUTLKO-HNNXBMFYSA-N 335.411 2.988 0 50 EFAA Cc1ccc(F)c(NC(=O)CCC(=O)NCC(C)(C)CN(C)C)c1 55327759 QXTKXQMNNWPDMA-UHFFFAOYSA-N 337.439 2.557 0 50 EFAA COc1ccc2nc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)sc2c1 102362174 PZMGEQRKYWHISX-AWRWRYAPSA-N 346.408 2.990 0 50 EFAA O=C(CCC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)N1CCc2sccc2C1 247759139 GHNVCAGEOJJTLU-VODUFIJXSA-N 344.480 2.670 0 50 EFAA COCCn1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1 251652547 HPQZBSBROAIQFQ-INMHGKMJSA-N 327.428 2.936 0 50 EFAA COCCc1nc2ccc(C(=O)N(C)[C@@H](C)c3ccon3)cc2o1 11661977 SDPZKSUZTXKGPX-NSHDSACASA-N 329.356 2.838 0 50 EFAA C[C@H]1C[C@H](NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)C[C@@H](C)O1 252513047 WZWUYVIGQMITLP-UKBAYJJMSA-N 330.472 2.623 0 50 EFAA CS[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 229950716 CIXYGYWBULFOHL-JGGQBBKZSA-N 345.472 2.912 0 50 EFAA O=C(C(F)(F)F)C(Br)(Br)Br 38459117 JKQXEWCRXCUQNU-UHFFFAOYSA-N 348.738 2.956 0 50 EFAA C[C@H](Cn1cccn1)Nc1nc(-c2ccccc2)nc2c1CCNCC2 72420068 OOXQONBCPAUVCY-OAHLLOKOSA-N 348.454 2.529 0 50 EFAA CCc1nsc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 253429806 GKKVGCJZZOPTRC-UHFFFAOYSA-N 344.484 2.772 0 50 EFAA CO[C@](C)(CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)C1CC1 253430043 WCFZWMJOAZXJHS-XGINMYPSSA-N 330.428 2.826 0 50 EFAA CCC[C@@]12CCCN1C(=O)N(C1CCN(c3ccccn3)CC1)C2=O 253428764 DWOBSRLKOZESSY-IBGZPJMESA-N 342.443 2.647 0 50 EFAA CN(C)Cc1nnc([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1C 72410265 JKKQCZYJONLXLR-ZDUSSCGKSA-N 349.429 2.535 0 50 EFAA O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1Cc2ccccc21 358540075 RUISOZLVUKUPGX-MRXNPFEDSA-N 349.839 2.570 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(CO)n1 72431542 BDRAGKHUZVSZQE-UHFFFAOYSA-N 339.420 2.970 0 50 EFAA COc1cccc(OC)c1C(=O)N1CC[C@H](Cc2ccncc2)C1 363674205 MHOMHEOEHCEMMD-OAHLLOKOSA-N 326.396 2.804 0 50 EFAA O=C(C1CCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72161179 WOBYOBZKBOKYJG-IPMKNSEASA-N 326.440 2.581 0 50 EFAA CSc1nc2ncc3c(=O)n(-c4ccccc4Cl)ccc3n2n1 30875283 OCCXESJZVVWYAG-UHFFFAOYSA-N 343.799 2.804 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)NCCc1nc(C(=O)O)cs1 317025280 ULJVPBOUFAWKSQ-SECBINFHSA-N 339.442 2.848 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3cnn(C)c3C)C2)CCC1=O 77437200 JONDNTFJNOAWFD-IBGZPJMESA-N 332.492 2.733 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCC[C@H]2CCCc2ccccc2)cn1 159539956 GGAXUBWIMPYCHK-KRWDZBQOSA-N 347.484 2.986 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1Cc1nnc(-c2ccccc2Cl)o1 284531569 FNXVLDYRHMNWBQ-RYUDHWBXSA-N 337.807 2.626 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCCO2)n(-c2ccccc2)n1 178737986 FOYKPUVBLCCYBM-KBXCAEBGSA-N 342.443 2.590 0 50 EFAA CCc1cccc2c1OCC[C@H]2NC(=O)[C@@H]1CCn2c(cnc2C)C1 289930712 WJXLEFWIBJGQMX-CRAIPNDOSA-N 339.439 2.956 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 290561389 NJERMSAIYANLNW-IEBWSBKVSA-N 327.472 2.524 0 50 EFAA O=C(CCc1cccnc1)NCc1noc(-c2c(F)cccc2F)n1 220686750 NZBNSNKLYXDSKF-UHFFFAOYSA-N 344.321 2.659 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCC(C)(C)CN(C)C)cc2)c(N)n1 426411468 OKPOROSLTPMATM-UHFFFAOYSA-N 340.471 2.957 0 50 EFAA Cc1cc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)cnc1N 426693938 ZJMOOGJCSQDFOS-IRXDYDNUSA-N 325.412 2.673 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N(Cc2nccs2)C2CC2)CC1 95375080 LYNLXJFMZQHXAZ-UHFFFAOYSA-N 347.484 2.673 0 50 EFAA Cc1cc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c(C)o1 91745839 VVUSVOVKCNKZCL-UHFFFAOYSA-N 344.459 2.674 0 50 EFAA CCc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)on1 97797290 HPZLHLAFXLLQSH-KRWDZBQOSA-N 344.411 2.937 0 50 EFAA COc1ccccc1[C@@H](O)CNC(=O)c1ccc2c(c1O)CCCC2 183266008 QFPPHNDNCNMQTJ-KRWDZBQOSA-N 341.407 2.743 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 299748312 GVTUGCIBAUTPDG-YNEHKIRRSA-N 327.302 2.885 0 50 EFAA CCOc1ccc(NC(=O)NCCSc2nccn2C)c(F)c1 299764731 KESWODQYWSNPKG-UHFFFAOYSA-N 338.408 2.872 0 50 EFAA CCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299797084 PKXKHIORBCCTJG-UHFFFAOYSA-N 348.454 2.863 0 50 EFAA Cc1nc(-c2ccc(NC(=O)CC[C@H]3CCCCN3C)cc2)n[nH]1 566892541 XKIPJQRFGFRVKZ-MRXNPFEDSA-N 327.432 2.983 0 50 EFAA COc1ccc(CCNC(=O)c2ccc(CN3CCCC3)o2)cc1 824664769 VIUAAZMUYBVRRI-UHFFFAOYSA-N 328.412 2.857 0 50 EFAA CN(C)c1ncc(/C=C/C(=O)N2CC[C@@H]2c2ccc(F)cc2)cn1 823742139 YDCCEXMOMPZMCT-ILNGBFOMSA-N 326.375 2.669 0 50 EFAA Cc1ccc(NC(C)(C)C(=O)NCCCn2ccccc2=O)cc1 584902695 FXJNZBWSOIXSIY-UHFFFAOYSA-N 327.428 2.554 0 50 EFAA COc1ccnc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c1 584889194 ZFRPKKVPBQJMHX-WKILWMFISA-N 326.396 2.791 0 50 EFAA O[C@H]1CCCN(Cc2cccc(OCCN3CCCCC3)c2)CC1 670461071 YOVOQGMYWBOVQU-IBGZPJMESA-N 332.488 2.898 0 50 EFAA CC1=CC[C@H]2CN(Cc3cc(=O)n4nc(C5CC5)sc4n3)C[C@H]2C1 1076024345 IONNXXCECOPABD-UONOGXRCSA-N 342.468 2.817 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 952971969 YUODNWBOIQNFGV-AWEZNQCLSA-N 327.446 2.583 0 50 EFAA CCc1ncc(S(=O)(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)[nH]1 952989400 QJDXAQMWIGUBTJ-SFHVURJKSA-N 347.484 2.961 0 50 EFAA C[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1 268977090 KGQWPNCYGWVIOR-MFKMUULPSA-N 345.317 2.511 0 50 EFAA Cc1ccc(CC2CN(C(=O)NCc3noc(C4CC4)n3)C2)cc1 664550844 IUMBYIZQHLJRIX-UHFFFAOYSA-N 326.400 2.640 0 50 EFAA Cc1nonc1COC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O 170645816 YPTXACDZVBXDKL-OAHLLOKOSA-N 343.383 2.598 0 50 EFAA O=C(OC[C@H]1CCCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1 170655488 SCLQDTCEZBVMTQ-MRXNPFEDSA-N 331.343 2.703 0 50 EFAA Nc1nccc([C@@H]2CCCN(c3cc(Cl)nc(C4CC4)n3)C2)n1 170616224 BISKICJQMLRFCS-LLVKDONJSA-N 330.823 2.764 0 50 EFAA COC(=O)[C@H]1CC[C@@H](Nc2nc(-c3ccccn3)nc(C)c2C)C1 279207842 XWUVLTQINZUZEW-UONOGXRCSA-N 326.400 2.909 0 50 EFAA Cc1ccc(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)c(C)n1 187720902 KQBDAZXCJIXKFO-QGZVFWFLSA-N 339.439 2.907 0 50 EFAA COC(=O)Cc1cccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n1 190158713 MKIMJOOWVLIATA-UZLBHIALSA-N 336.391 2.640 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cnn3ccccc23)C1 190475921 JXIZMQWOSOVKPR-GOSISDBHSA-N 335.455 2.683 0 50 EFAA Cc1cc(F)c(C(=O)NCCOc2ccc(C(=O)O)cc2)cc1F 679095985 LILLYUXVIPUHDK-UHFFFAOYSA-N 335.306 2.780 0 50 EFAA O=C(c1ccc(F)cc1F)N1CCC(OC[C@H]2CCOC2)CC1 195560031 NOIIELHNIACPPW-LBPRGKRZSA-N 325.355 2.623 0 50 EFAA OC(CNC1CCN(CCc2ccccc2)CC1)(C1CC1)C1CC1 657700300 VXDGZMIEHUELQB-UHFFFAOYSA-N 328.500 2.834 0 50 EFAA COc1cccc([C@@H](O)C(=O)NC[C@@H]2CCc3ccccc3C2)c1 765055721 OOXTUMSVRGWXEX-AUUYWEPGSA-N 325.408 2.650 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1cccc(F)c1 799040768 WXCLDKGYPNPYSF-NRSRBWNISA-N 333.403 2.617 0 50 EFAA Cc1nc2ncccn2c1C(=O)N(Cc1ccccn1)Cc1ccco1 1506420612 NBZXMGGXFPPCHO-UHFFFAOYSA-N 347.378 2.868 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1 103068 WXAIAZIELRAKQA-XNTDXEJSSA-N 344.436 2.936 0 50 EFAA CC1=CC[C@H]2CN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@H]2C1 214829621 BRPUFZFMZABOFM-JKSUJKDBSA-N 333.453 2.665 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1scc2c1CCCC2 1704325507 NSFOHKGXWKRFGT-UHFFFAOYSA-N 332.473 2.554 0 50 EFAA CC(=O)c1cnc(NC2CCN(C3CCSCC3)CC2)nc1C 1772711144 ZGNVTAXBRYCLPO-UHFFFAOYSA-N 334.489 2.760 0 50 EFAA COc1ccc(C(=O)N2CCC(c3ccnc(O)c3)CC2)c(OC)c1 1772706386 CFLIKMLUZWQRJG-UHFFFAOYSA-N 342.395 2.824 0 50 EFAA CN(Cc1ccon1)C(=O)c1coc(COc2cccc(F)c2F)n1 11879411 PGYJWHHYBFWSCP-UHFFFAOYSA-N 349.293 2.792 0 50 EFAA COc1cccc2cc(-c3ccc(OCC(=O)O)cc3)c(=O)oc12 12243706 BPENHAICJUFLDS-UHFFFAOYSA-N 326.304 2.932 0 50 EFAA biogenic CN(Cc1ccccc1)Cc1cc(C(=O)NCc2ccncc2)no1 12306092 UJDQGNGMUHHGRA-UHFFFAOYSA-N 336.395 2.632 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 12571541 UOHFMMTZUFEDMD-MRXNPFEDSA-N 344.455 2.671 0 50 EFAA COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1C 13358518 FSACLDPPLLSTNF-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA Cc1occc1C(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 14964673 KEIFFVCFJUVKSJ-MRXNPFEDSA-N 326.396 2.552 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(c3cncc4nccn34)CC2)O1 1857700918 CBQNZYLMERRZRJ-HUUCEWRRSA-N 344.459 2.654 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@H]12 1857729597 QTNKLCLDLIFANY-MGHWNKPDSA-N 343.423 2.818 0 50 EFAA COc1ccc(-n2ccc(CNc3ncnc(N)c3Cl)n2)cc1 302049130 MRLRKQNUEJLYIB-UHFFFAOYSA-N 330.779 2.519 0 50 EFAA O=C(C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2)c1ccccc1 222343743 XHBLGHBPSZBSRW-QUCCMNQESA-N 348.446 2.992 0 50 EFAA CCC(=O)N1CC[C@@H](c2nc(Cc3cc(C)ccc3OC)no2)C1 225588939 KMQFWHACGIYLQK-CYBMUJFWSA-N 329.400 2.703 0 50 EFAA Cn1cc(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)nn1 331726020 NCORNWOBXOATQZ-CYBMUJFWSA-N 349.232 2.631 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 126871789 QQPJTLOIJKOQAJ-SJORKVTESA-N 347.846 2.778 0 50 EFAA Cc1ncc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(C)n1 333398727 FGLVXPXCMQEYFA-HZPDHXFCSA-N 331.803 2.695 0 50 EFAA CC(C)Sc1ccccc1C(=O)N1CCO[C@H](c2ncon2)C1 242302423 YSLLHFXUSLUDPR-ZDUSSCGKSA-N 333.413 2.784 0 50 EFAA CC[C@H](NC(=O)C(=O)N(C)Cc1ccncc1)c1cccc(Cl)c1 253407997 RFFPTRRYYHYQPB-INIZCTEOSA-N 345.830 2.961 0 50 EFAA O=C(Cc1cc(F)ccc1Br)NCc1ccc(O)nc1 151298418 PNNFHFHSXQVOLU-UHFFFAOYSA-N 339.164 2.548 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 264149597 YXCYAHJWJHDMGY-MOPGFXCFSA-N 330.472 2.833 0 50 EFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 265295145 QRJHVGTYMQTAAK-UHFFFAOYSA-N 332.835 2.951 0 50 EFAA Cc1ccc(C)c(N2CCN([C@@H](C)C(=O)Nc3cc(C)no3)CC2)c1 164723952 QQJCWTJAOCEXEV-INIZCTEOSA-N 342.443 2.749 0 50 EFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3cccc(C(N)=O)c3)n[nH]2)cc1 918386176 LOEZJLKBXGMTEY-UHFFFAOYSA-N 348.406 2.756 0 50 EFAA CCc1ccc([C@H]2CNCCN2C(=O)c2nc(C)n3ccccc23)cc1 844194554 BATBMTIXIWPZKP-LJQANCHMSA-N 348.450 2.992 0 50 EFAA CCCCNC(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 952880963 FGYSZNMZJHOYSJ-SNVBAGLBSA-N 333.358 2.659 0 50 EFAA COc1ncc(Br)cc1CN[C@H](C)c1snnc1C 1875284757 LFNNBRXFGODLMV-SSDOTTSWSA-N 343.250 2.863 0 50 EFAA CC[C@H](C)N1CCC(NC(=O)c2cc(C(=O)O)c(OC)cc2C)CC1 1875319177 RKKKUEYEQFVIHV-ZDUSSCGKSA-N 348.443 2.695 0 50 EFAA CC(=O)c1c(C)oc2ncn(Cc3cccc4nsnc34)c(=O)c12 1875338540 BAZRVBACLMFZLJ-UHFFFAOYSA-N 340.364 2.554 0 50 EFAA CCn1ccc(CCNC(=O)c2cc3cc(C(=O)O)sc3s2)n1 1875316155 XUUPQCLJJDODFW-UHFFFAOYSA-N 349.437 2.850 0 50 EFAA OCC[C@@H](N=c1[nH]c(-c2cccnc2)nc2ccccc12)C(F)F 1875360819 JTPQBNYWHYCHQB-CQSZACIVSA-N 330.338 2.542 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc4ccc(C)nc34)[C@@H]2C1 888461688 QXPNHFSSTSZZJZ-SRABZTEZSA-N 338.407 2.861 0 50 EFAA CCOc1cc(C(=O)N2CCCc3cc(C(=O)OC)cc(C)c32)on1 1775987947 CPBVGIUVLSYXKU-UHFFFAOYSA-N 344.367 2.761 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)Nc1cc2c(Cl)n[nH]c2cc1F 1775990390 MAVKQFNGVLGZOD-MRVPVSSYSA-N 347.799 2.666 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc2c1COC2 2100556874 UERNJRFLEQPVHX-HNNXBMFYSA-N 336.435 2.893 0 50 EFAA Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3ccncc3)nnc2s1 36357372 DGJZKQMAHKHNBL-UHFFFAOYSA-N 339.428 2.946 0 50 EFAA CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)C[C@H](N)C(=O)O)cc1 2325774734 OHAVAUUOKNSWLA-JXFKEZNVSA-N 346.471 2.710 0 50 EFAA C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1c[nH]nc1-c1ccnn1C 2325777546 KEJHSQXJLHJXLX-PXAZEXFGSA-N 343.406 2.551 0 50 EFAA Cc1ccc2oc(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)cc2c1 2325785985 XAGIVPMWCHZIMX-NUEKZKHPSA-N 339.395 2.507 0 50 EFAA O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 558401 JOJOBFXCJKKBSF-UHFFFAOYSA-N 335.157 2.868 0 50 EFAA O=c1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2o1 4411696 CCBBUVBPMSDOQV-UHFFFAOYSA-N 336.756 2.642 0 50 EFAA COC[C@H](C)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 4998746 WCZBECCMPJRJAN-VHSXEESVSA-N 345.226 2.815 0 50 EFAA CC(=O)NCc1cccc(C(=O)N2CCN(C3CC3)c3ccccc32)c1 225429934 RGUOTPQAPDDLIL-UHFFFAOYSA-N 349.434 2.952 0 50 EFAA CCCN(Cc1nccn1C)[C@@H](C(=O)O)c1cc(C)ccc1OC 55036575 FINBCPQFGNMKBA-QGZVFWFLSA-N 331.416 2.775 0 50 EFAA COc1ccc2c(C)nc(N3CCC[C@@]4(CCN(C)C4)C3)nc2c1 67881370 CTINJVOPJXJELZ-IBGZPJMESA-N 326.444 2.869 0 50 EFAA Cc1cc(CNC(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc(C)n1 420832458 BFXNTHGZEOVSFO-MRXNPFEDSA-N 342.418 2.916 0 50 EFAA COc1ccc(NC(=O)Cc2nc(C)nn2-c2ccc(F)cc2)cc1 65533170 VIBYLOBFBVFHEQ-UHFFFAOYSA-N 340.358 2.905 0 50 EFAA C[C@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@@]2(CCOC2)C1 253392534 NVTAGBXGVHLGOU-PXAZEXFGSA-N 349.431 2.897 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1OCCc2ccccc21 138189605 VMZNBHKZZPWLPM-IBGZPJMESA-N 333.391 2.803 0 50 EFAA CCOc1ccc(CN2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2)cn1 67981793 UQTFFMKJFFXVSC-FQEVSTJZSA-N 345.487 2.951 0 50 EFAA Cc1nc(C2(NC(=O)c3cnc(-c4ccco4)s3)CCC2)no1 171449410 ANYSCERJFDSXFB-UHFFFAOYSA-N 330.369 2.904 0 50 EFAA O=C(NCCc1ccc(F)c(F)c1)N1CC[C@@H](C2CCOCC2)C1 253431522 RLJFDBOMOMFHRI-OAHLLOKOSA-N 338.398 2.965 0 50 EFAA CCc1nc(N)n(C(=O)c2cc(Cl)cc(F)c2Br)n1 252484140 FPSCQOWEKKFRDZ-UHFFFAOYSA-N 347.575 2.666 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@@](F)(CO)C1 252496480 PJIHLZTYMRMZCO-SCTDSRPQSA-N 328.387 2.812 0 50 EFAA O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C1CC1)OCO3 67757516 XVSKIJCKKXFXGJ-UHFFFAOYSA-N 349.390 2.816 0 50 EFAA Cc1cc(N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n2ncnc2n1 229946246 NPWOPPRICKALQN-HUUCEWRRSA-N 341.415 2.898 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2N[C@@H](COC)Cc2ccccc2)cn1 328638534 PCVOCWHQVVZYQQ-HSALFYBXSA-N 343.471 2.970 0 50 EFAA Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)n1 230111773 XXTAJFDJXUMZLO-LZLYRXPVSA-N 329.444 2.732 0 50 EFAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCc1ccco1)CC2 120811703 IYWBJKKRQIOKEW-SNVBAGLBSA-N 339.317 2.818 0 50 EFAA Cc1nc2sccn2c1CN1CCN(C2CCCC2)[C@H](CCO)C1 39552348 DKVGNIRIGCWLIX-MRXNPFEDSA-N 348.516 2.515 0 50 EFAA CC(C)[C@H]1CN(c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1 71707886 RVLLDSJFLODZSP-QGZVFWFLSA-N 342.418 2.879 0 50 EFAA O=C([C@H]1CCOc2ccccc21)N1CC[C@@H](OCc2ccncc2)C1 172246047 ARTRWBAWSYCLOW-AEFFLSMTSA-N 338.407 2.765 0 50 EFAA CC[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 328592355 ZRNNEZCLNQBVJM-CYBMUJFWSA-N 336.775 3.139 0 50 EFAA Cn1ncc2c(NCc3cn4c(n3)SCC4)nc(C(C)(C)C)nc21 72456826 KEYBDCQUCPWVKS-UHFFFAOYSA-N 343.460 2.575 0 50 EFAA Cn1cc(CNC(=O)Nc2nnc(-c3ccccc3Cl)s2)cn1 129289360 ZJHJVAQMSHOEQJ-UHFFFAOYSA-N 348.819 2.914 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 237953572 IKGQCMKLZIIZDX-JTQLQIEISA-N 330.306 2.817 0 50 EFAA Cc1cccc2nc(CN(C)[C@H](C)Cc3ccc(O)cc3)cc(=O)n12 125566738 YKOIDLAWOJKKPZ-OAHLLOKOSA-N 337.423 2.772 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 368855392 KKVUUSFVRJPLAZ-SJLPKXTDSA-N 334.391 2.755 0 50 EFAA Cc1cccc2c1O[C@H](C(=O)N1CCC(Cc3nccn3C)CC1)C2 450179871 GFLYSHNJSCVWAM-KRWDZBQOSA-N 339.439 2.513 0 50 EFAA C[C@H](C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F)n1cncn1 331556256 OZVUWGYHVSTTPC-IUODEOHRSA-N 338.333 2.919 0 50 EFAA COc1ccnc(N2CCN(Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)n1 129595029 WRUBLDWGELPJNY-ZFWWWQNUSA-N 328.416 2.524 0 50 EFAA CN(CC1CC1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 490948848 SGIOOPMAQQSQIK-CQSZACIVSA-N 325.453 2.685 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1C 331855568 FHXINJHVMFKYAA-BBRMVZONSA-N 347.365 2.628 0 50 EFAA CCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nncn1C 158867924 CTQLKUGTSPIFGA-CQSZACIVSA-N 329.404 2.973 0 50 EFAA COc1cc(F)c([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1OC 262129875 KOTAJEJPTCLVQL-MRVPVSSYSA-N 337.303 2.625 0 50 EFAA O=C(CCc1cnc[nH]1)N1CCC[C@H](Cn2cnc3ccccc32)C1 373740163 BZMHFTXAQOJBNT-HNNXBMFYSA-N 337.427 2.631 0 50 EFAA CCc1nnc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc1CC 373785587 FSPAZOOJHRIMAI-HNNXBMFYSA-N 341.463 2.656 0 50 EFAA CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CCNC2)c1 236699109 MATCBEKGXUPSNU-JTQLQIEISA-N 327.222 2.784 0 50 EFAA CCc1ccc(-c2nccn2-c2ccc(-c3nnn(C)n3)cc2)nc1 77343153 FYXIALAJGNCSAV-UHFFFAOYSA-N 331.383 2.687 0 50 EFAA Cn1cc(C2CCN(C(=O)NC[C@@H]3CCCC3(F)F)CC2)cn1 333210122 TWQDTLNHXRWGNT-AWEZNQCLSA-N 326.391 2.745 0 50 EFAA CCS(=O)(=O)Nc1cccc(CN(C)Cc2cscn2)c1 130068200 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2.661 0 50 EFAA FC(F)(F)Oc1cccc(N2CC[C@H](NCc3cncnc3)C2)c1 241160538 JYBDQDBYWYBWEG-ZDUSSCGKSA-N 338.333 2.744 0 50 EFAA C[S@](=O)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1 175808854 YSIATHCPEYIZBU-DEOSSOPVSA-N 346.456 2.565 0 50 EFAA CC[C@H](CC(F)F)C(=O)N1CCCN(c2ccc(C)nn2)CC1 457541515 KPNBJKHTWGXPER-CYBMUJFWSA-N 326.391 2.505 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 130076315 HQUAQNVUUFZYSE-OTWHNJEPSA-N 329.488 2.991 0 50 EFAA O=C(O)c1ccc(N2CCC(c3nccn3CC3CC3)CC2)nc1 95528138 LHJUETVDWMIUIX-UHFFFAOYSA-N 326.400 2.770 0 50 EFAA O=c1[nH]c(N2CCNCC2)nc2c(-c3ccccc3Cl)csc12 96511571 OKEAPVNFGWQEMK-UHFFFAOYSA-N 346.843 2.715 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cs1 91914654 MGUUGHBESGGIST-GOEBONIOSA-N 344.484 2.825 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1 91943082 JKGGJXZJWPTATH-CQSZACIVSA-N 347.434 2.544 0 50 EFAA CNC(=O)c1ccc(/C=C(\C)c2nc3sccc3c(=O)[nH]2)cc1 179498276 URUYQMFOCMBEHE-MDZDMXLPSA-N 325.393 2.905 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)[C@H]1COc2ccccc2C1 91536724 UCKXMASOVRHHIX-OAHLLOKOSA-N 341.411 2.985 0 50 EFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(OC)c1 237095007 GYLGULKUFJINOA-UKWDMRDTSA-N 332.444 2.693 0 50 EFAA Cc1nc2ccc(C(=O)N(C)CCCc3cnn(C)c3)cc2nc1C 95362788 ZGYYVZGOEZJQNA-UHFFFAOYSA-N 337.427 2.685 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2cccc(C(=O)O)c2)C[C@H]1C(=O)O 91503679 UQHVAAAAOFOEGM-ZWKOTPCHSA-N 339.391 2.993 0 50 EFAA O=C(NCCCc1ccccn1)[C@@H]1CCCN(Cc2ccco2)C1 95353746 MODJTDFIAHMBQR-MRXNPFEDSA-N 327.428 2.636 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 244796063 RSBBBHFQWKUFJW-HNNXBMFYSA-N 349.394 2.622 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc2nccn2c1 244795739 RMTCOIQMKUPEHL-DVOMOZLQSA-N 327.409 2.638 0 50 EFAA C[C@H]1CCCCN1C1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 252506620 WBRPTIYOAVBWNG-ZDUSSCGKSA-N 333.476 2.735 0 50 EFAA O=C(CC1(n2cccc2)CCOCC1)Nc1nnc(C2CC2)s1 253408295 KPKOFBBMHLCBKD-UHFFFAOYSA-N 332.429 2.752 0 50 EFAA Cc1nc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)no1 534638291 JMKXGGMXFJMUBR-UHFFFAOYSA-N 325.372 2.734 0 50 EFAA Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2 299793926 IGSPSDNXUCYTJO-SECBINFHSA-N 330.365 2.534 0 50 EFAA Cc1nnc(SCC(=O)N[C@H](C)c2nc(C)sc2C)s1 299786306 QJNVDBMFCHWBKI-ZCFIWIBFSA-N 328.488 2.889 0 50 EFAA Cc1cc(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)on1 299789688 AFKYJWWTUVACON-KRWDZBQOSA-N 331.391 2.618 0 50 EFAA COc1ccc(Cc2nc([C@H](C)CN3CCCC3)n[nH]2)cc1OC 824603771 JJIYFVWMWQNFBO-CYBMUJFWSA-N 330.432 2.612 0 50 EFAA Cc1cnn([C@@H](C)C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1 584895636 KRKYBPMALICQEE-AWEZNQCLSA-N 325.416 2.904 0 50 EFAA CCc1ncc(S(=O)(=O)N(C/C=C/c2ccccc2)C2CC2)[nH]1 952872827 DNNDJEMNOFGDSR-RMKNXTFCSA-N 331.441 2.839 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)s1 408172142 SDKJEGJYFOBZQZ-XHDPSFHLSA-N 343.470 2.736 0 50 EFAA Cc1nn2cc(CCCOC(=O)c3ccc(C)n3C)cnc2c1C 170617614 AGSWYKLYPORGRW-UHFFFAOYSA-N 326.400 2.783 0 50 EFAA O=C(c1cnn(-c2cccc(Cl)c2)c1)N(C[C@@H]1CCCN1)C1CC1 186546646 VFOGSJZXHPLAPS-HNNXBMFYSA-N 344.846 2.882 0 50 EFAA O=C([C@H]1CCCc2c(O)cccc21)N1CCO[C@H](c2nccs2)C1 190361094 XBFYWJFTSHXVNT-HOCLYGCPSA-N 344.436 2.869 0 50 EFAA CO[C@](C)(C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1F 192351413 ZAXPKDFUOIEACE-BUXKBTBVSA-N 347.434 2.785 0 50 EFAA O=c1cc(CO)occ1OCCOc1ccccc1C(F)(F)F 194654152 NUJLBZKSZFQETP-UHFFFAOYSA-N 330.258 2.609 0 50 EFAA O=C(O)c1cccnc1CN1CCO[C@H](CCc2ccccc2)C1 652416226 SQPBPSJCHALBMQ-MRXNPFEDSA-N 326.396 2.613 0 50 EFAA O=C(Cc1c[nH]c2cc(F)ccc12)NCc1cccnc1-n1cccn1 195474312 RJYZKGQCZJYYSQ-UHFFFAOYSA-N 349.369 2.747 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C 195554505 JSPOWVULJIRHAV-SJORKVTESA-N 331.460 2.629 0 50 EFAA COCCOc1ncccc1NC(=O)N1Cc2ccc(OC)cc2C1 653966797 SSMSGWMJZUJMJU-UHFFFAOYSA-N 343.383 2.663 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1CCCC(=O)O 656524041 CPASVHCQGQYXNS-ZDUSSCGKSA-N 343.420 2.932 0 50 EFAA Cc1ccc([C@@H](NC(=O)Cn2nc(C)cc2N)c2cccnc2)c(C)c1 1506424923 DFYKUKIWFZGUET-FQEVSTJZSA-N 349.438 2.691 0 50 EFAA Cc1ccc(O)c(C(=O)N2CCCN(C(=O)c3occc3C)CC2)c1 1529112324 KXFITAHQAXNHAR-UHFFFAOYSA-N 342.395 2.590 0 50 EFAA CC(=O)c1cnc(N[C@H]2CCCN(C(=O)c3cccs3)C2)nc1C 1772702776 UKRAOLXHOCAAHB-ZDUSSCGKSA-N 344.440 2.766 0 50 EFAA CC(=O)N[C@H]1[C@@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12379531 ZBHPCFVWCHWDCE-AXSQLCHVSA-N 347.499 2.786 0 50 EFAA C[C@H](Oc1ccccc1Br)C(=O)NCc1cccnc1 12380711 HWRZGIIILWDZLX-NSHDSACASA-N 335.201 2.928 0 50 EFAA CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1 12865783 YYUZYFUTUWPKBV-UHFFFAOYSA-N 332.425 2.556 0 50 EFAA O=C1CC[C@H](CCNCc2cccnc2)N1CCc1ccccc1F 14884477 XYFMMLQEHFMHNH-GOSISDBHSA-N 341.430 2.934 0 50 EFAA COCCN1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1 19770485 GCRCQGJSURVURD-UHFFFAOYSA-N 329.444 2.722 0 50 EFAA Cc1ccc2cc(-c3nccn3C[C@H]3COCCO3)c(O)nc2c1 1857686960 KZKOOCOUQCPLEU-AWEZNQCLSA-N 325.368 2.528 0 50 EFAA 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CC1(C)CCC(C)(C)c2cc(C(=O)NC[C@](C)(O)C(=O)O)ccc21 262411593 PHZVZGGXEFJNHP-IBGZPJMESA-N 333.428 2.601 0 50 EFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2scnc2C)c1 263289697 ZYGRYMURZFJZGS-MRXNPFEDSA-N 334.397 2.580 0 50 EFAA O=C(N[C@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccc2ccccc2c1 910617656 NINSDCDUTOOALT-GNZRSQJKSA-N 339.391 2.982 0 50 EFAA CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1c[nH]c2cc(F)ccc12 928734606 XERBFAVOICOWQT-HNNXBMFYSA-N 331.391 2.826 0 50 EFAA CCOc1ncccc1NC(=O)N1C[C@@H](O)[C@H](Cc2ccccc2)C1 929698334 JNFQMMVXHHQMPH-NVXWUHKLSA-N 341.411 2.548 0 50 EFAA O=C(NC1CCC(O)(c2cccnc2)CC1)c1onc2c1CCCC2 832319708 IZXQJBXPZYXCGD-UHFFFAOYSA-N 341.411 2.509 0 50 EFAA CC1(C)COCC[C@H]1Nc1cnn(Cc2cn3ccccc3n2)c1 1875285059 BOVZEIFOCGTTPZ-MRXNPFEDSA-N 325.416 2.806 0 50 EFAA C[S@](=O)c1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1 1875360721 HSPQIDPOSURGQZ-SHACYNPGSA-N 345.420 2.696 0 50 EFAA CCN1CCC[C@@H](NC(=O)c2ccc(C(=O)O)cc2C(F)(F)F)C1 1875315936 NUXBKZDIJTUZMI-LLVKDONJSA-N 344.333 2.618 0 50 EFAA COc1ccccc1C[C@H](C)N[C@@H]1C[C@@]2(C[C@H]1O)CN(C)[C@H]2C(C)C 888098753 MLGXMXUVFJIPKP-KDXBWVGISA-N 346.515 2.696 0 50 EFAA Cn1cc(Cl)c(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)n1 1776006536 VOYJSCSYJKHLDL-UHFFFAOYSA-N 346.818 2.952 0 50 EFAA CCOC(=O)[C@@]1(CC)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 34339 MAXUMEIVVUHYLR-PIGZYNQJSA-N 348.424 2.930 0 50 EFAA COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44333 XSEQFOPIESHRPL-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA COc1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cc(OC)c1 443070 IMFPOFAQGCZHAT-UHFFFAOYSA-N 331.368 2.902 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 453023 NOLFCKWIDZHVNV-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1234740 OUSUXRAPNSPCTF-AWEZNQCLSA-N 336.391 2.940 0 50 EFAA Clc1ccc([C@H]2CN(Cc3cccc4ncnn34)CCO2)cc1 2356135648 NQKMATFPIXWSAV-MRXNPFEDSA-N 328.803 2.956 0 50 EFAA Cc1cnnc(-c2ccc(C(=O)N[C@H]3CCc4c[nH]nc4C3)cc2)c1C 2356147326 RIGHZHHJABDNHY-KRWDZBQOSA-N 347.422 2.771 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356163018 PLIODIMKLVMIRZ-FQEVSTJZSA-N 337.423 2.812 0 50 EFAA COc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 2874657 GDTGKTSSCKUIDW-UHFFFAOYSA-N 325.817 2.968 0 50 EFAA NC(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 6542832 FVNLCUALWIAMPD-KRWDZBQOSA-N 340.379 2.596 0 50 EFAA O=C(c1ccc(OCCOc2ccccc2)cc1)N1CCOCC1 6743738 JGJLVCLZEALQMC-UHFFFAOYSA-N 327.380 2.617 0 50 EFAA O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 8048365 AIGDIZXPSSSIGE-UHFFFAOYSA-N 345.424 2.555 0 50 EFAA Cc1cc(Cl)ccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 8587413 NMUUBBBRZFRPJX-UHFFFAOYSA-N 349.843 2.951 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)Nc1cccc2c1OCC[C@@H]2O 225616523 PDHDULFXVWUSHH-TYZQSYOASA-N 331.393 2.915 0 50 EFAA CCOc1ccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525185 HDONADJRTWESTL-OAHLLOKOSA-N 333.413 2.900 0 50 EFAA CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccc(-n2cnnn2)cc1 55271203 CMDDXLIVLOTJCE-CQSZACIVSA-N 339.399 2.942 0 50 EFAA C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ncn[nH]1 65372926 SJKHCQGSYNZTIT-LBPRGKRZSA-N 344.378 2.906 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CCO1 248545145 IZYQUEZEJIWZNV-OWCLPIDISA-N 332.444 2.595 0 50 EFAA CCc1noc(CN(CC)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1 67919998 VDGRUUQOJQGMRB-UHFFFAOYSA-N 329.360 2.586 0 50 EFAA COc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1O 22852501 ZAGCLZUHUJRZRT-GOSISDBHSA-N 348.487 2.602 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c(C)n1 350027360 OBOAMTZOJWGXPD-ZDUSSCGKSA-N 335.404 2.737 0 50 EFAA CCCN1CCCN(C(=O)CCCc2c[nH]c3ccccc23)CC1=O 252480277 BZGZCTXNUGLEEL-UHFFFAOYSA-N 341.455 2.962 0 50 EFAA O=C(O)COc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 215275527 BYOAWNIUHTXCGF-UHFFFAOYSA-N 340.379 2.838 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 215621204 NVCGOAPIYAIBAI-SFHVURJKSA-N 342.443 2.586 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(CC2CCNCC2)c1 72168021 NLCVZJSPZIFOHF-LJQANCHMSA-N 330.472 2.870 0 50 EFAA Cc1cc(NC(=O)CN2CCSC2=O)nc(-c2ccccc2)n1 253432056 VOOHGNOUHLQZQA-UHFFFAOYSA-N 328.397 2.559 0 50 EFAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1c(F)cncc1F 356469958 FULOHLGWVBUSRZ-VIFPVBQESA-N 329.310 2.636 0 50 EFAA CCn1cc(C(=O)N2CC[C@@H](C3CCN(CC(C)C)CC3)C2)cn1 12709710 ZFYAINMJQDYKBQ-QGZVFWFLSA-N 332.492 2.733 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)c1c[nH]nc1-c1ccoc1)[C@@H]2C 366058004 MHIKIBBQVROEOP-LLVKDONJSA-N 340.387 2.602 0 50 EFAA Cc1nc(S)sc1CC(=O)NCC1([C@H](O)c2ccccc2)CC1 155941636 CMEAGVIUAOCJGN-OAHLLOKOSA-N 348.493 2.913 0 50 EFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCOc2ccccc21 261748374 UMFDZNPVIMMUTJ-SJLPKXTDSA-N 337.375 2.763 0 50 EFAA O=C(O)c1ccnc(-c2ccnc(NCC[C@@H]3CCCCO3)n2)c1 77486310 ANERFSWFQDSDMT-ZDUSSCGKSA-N 328.372 2.608 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@@H](c2ccco2)C1 370033720 SEMMIYWYOCJECL-MRXNPFEDSA-N 327.315 2.576 0 50 EFAA COc1cccc(N2CCC(NC[C@](C)(O)C(F)(F)F)CC2)c1 371440554 RXVIIBQRPIJGOX-HNNXBMFYSA-N 332.366 2.567 0 50 EFAA Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3nc(O)n[nH]3)oc12 333573015 SFLHTTDIZUDSJD-GFCCVEGCSA-N 326.356 2.932 0 50 EFAA Cc1cccc(-c2nc(CC(=O)N3CC[C@H](N)C[C@H]3C)cs2)c1 237479892 CGTHKYDEFARHBT-HIFRSBDPSA-N 329.469 2.999 0 50 EFAA O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@H]1CSCN1 238099880 CQLOCECHVWCEJP-GFCCVEGCSA-N 345.449 2.835 0 50 EFAA C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCN(c2ccccc2)C1 241897397 TYJQRLFQWUVTOM-QZTJIDSGSA-N 344.503 2.687 0 50 EFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375235 LJNDXJLSFWMMLZ-WTANOLMUSA-N 329.396 2.868 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](c3ccco3)C2)cnn1-c1ccccc1 176725173 WZKZTRKEDQLLPO-GOSISDBHSA-N 337.379 2.987 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 290544254 HHVVFIGJYUTFCW-SFHVURJKSA-N 333.359 2.557 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 161828480 MTLKIAGQQDKILJ-LLVKDONJSA-N 342.399 2.825 0 50 EFAA CN(C)[C@@H](C(=O)NCCSc1ccccn1)c1ccccc1F 91425270 IVMFUHKJSFXIDK-MRXNPFEDSA-N 333.432 2.732 0 50 EFAA CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC2=O)c1ccco1 96179553 DSLSJUCPDKSZPH-OAHLLOKOSA-N 327.384 2.833 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cnn(C)c3N)c2)C1 426431070 PRTGZVBKLRYNDF-MRXNPFEDSA-N 342.443 2.701 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 95513023 XEIMKXUNGIEGPZ-LBPRGKRZSA-N 348.424 2.568 0 50 EFAA COc1ccc(-c2cc(C(=O)N3CC(c4ccccn4)C3)[nH]n2)cc1 97696151 IKNYQISAAOZQQO-UHFFFAOYSA-N 334.379 2.720 0 50 EFAA COc1cccc([C@@H]2CN(CC3CCCC3)C[C@H]2C(=O)O)c1OC 91325841 OXLVVUHQZYHZHP-JKSUJKDBSA-N 333.428 2.994 0 50 EFAA COc1ccc(CN(C)Cc2nc(C)cs2)cc1Cn1cncn1 97436940 IKMBUCYGVFRADR-UHFFFAOYSA-N 343.456 2.732 0 50 EFAA O=C(NC[C@@H](O)COc1ccccc1)c1c[nH]nc1C1CCCCC1 92077124 OYVIADNPMLCJJA-OAHLLOKOSA-N 343.427 2.627 0 50 EFAA CCCn1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2F)c(C)n1 95508643 ALTDIQNYLBWOOI-OAHLLOKOSA-N 333.363 2.686 0 50 EFAA CN(C)C[C@@H]1CN(C(=O)c2cccc3c(Cl)cccc23)C[C@@H]1CO 91754853 NUOPCFKCXANGDO-ZIAGYGMSSA-N 346.858 2.735 0 50 EFAA C[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCC3)CCN(C2CC2)C1 294839651 BBNRNRQVUNRGCL-HNNXBMFYSA-N 349.482 2.948 0 50 EFAA O=C(Nc1ccc2nncn2c1)[C@@H]1COc2ccc(Cl)cc2C1 182632732 BOCMIZLAUBEBHS-NSHDSACASA-N 328.759 2.573 0 50 EFAA CCn1c(SC[C@H]2CNC(=O)O2)nnc1-c1cccc(Cl)c1 298692019 KRSCMSVWYAGOJL-LLVKDONJSA-N 338.820 2.819 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(C(=O)O)nc2)cc1 299753354 XYBDGGOXYXWBPL-RDJZCZTQSA-N 340.379 2.738 0 50 EFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OC)c2)N1 34792473 AFAUJFNORYVHAJ-MSOLQXFVSA-N 336.391 2.953 0 50 EFAA biogenic CC(C)(C(=O)NCc1ccc(N2CCCC2=O)cc1)n1cccc1 299767495 LLZACPKZCVCKSL-UHFFFAOYSA-N 325.412 2.666 0 50 EFAA Cc1cnn(CC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)c1 299781601 DXBAGTSGIMGULX-IBGZPJMESA-N 340.471 2.925 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)Nc1ccc2c(c1)OCO2 823056087 BBZBFLCPDWECGF-UHFFFAOYSA-N 332.360 2.976 0 50 EFAA Cc1nn(C)c(Cl)c1CN(C)C[C@H]1CC(=O)N(C2CCCC2)C1 670445179 UBHYRJQILURQPR-CYBMUJFWSA-N 338.883 2.605 0 50 EFAA CC1CCC(=CC(=O)N2CCCC[C@H]2c2n[nH]cc2C(N)=O)CC1 685942956 YOBFPQSGSXZJRO-CVRLYYSRSA-N 330.432 2.699 0 50 EFAA CC(C)c1nc(S(=O)(=O)N(C)C)cn1Cc1cccc(Cl)c1 864090910 DUCLPITZTLDZMX-UHFFFAOYSA-N 341.864 2.959 0 50 EFAA O=C1CCc2c1cccc2C(=O)N(CCO)Cc1ccc(F)cc1 952982847 YTGNDUOHXQYWNB-UHFFFAOYSA-N 327.355 2.589 0 50 EFAA COc1cc2c(C)cc(=O)n(CCOCC(F)F)c2cc1OC 408525322 WHQNNNOTYDRWNP-UHFFFAOYSA-N 327.327 2.609 0 50 EFAA COC(=O)c1cc(NC(=O)N2CCCO[C@H](C)C2)cc(Cl)c1F 276807894 XUPCSBWMXALROK-SECBINFHSA-N 344.770 2.908 0 50 EFAA CO[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C)c1ccccc1 170613372 GUFYRQOHHFMDAD-QGZVFWFLSA-N 337.416 2.941 0 50 EFAA Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)COC3)CCO2 671697713 ZPFTYQVYPXBRKQ-UHFFFAOYSA-N 345.420 2.609 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1c(C)noc1CC)CCO2 192361203 FIWZTCCNRPMIRZ-UHFFFAOYSA-N 344.367 2.761 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)CCC(=O)OC(C)(C)C 192356130 QCYQBPNIMMAGAB-UHFFFAOYSA-N 335.326 2.808 0 50 EFAA CN(C)c1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)nc1 193880457 FDTUFIYJMDYGMG-UHFFFAOYSA-N 345.350 2.945 0 50 EFAA Cc1noc(C)c1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 1506413709 UGGMJLCFSFEZLH-QGZVFWFLSA-N 343.427 2.827 0 50 EFAA Cc1cc(CC(=O)N2CCC3(CC2)OCCc2sccc23)on1 1704299173 NTXNDTMOCMIWFG-UHFFFAOYSA-N 332.425 2.678 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ccoc3)CC1)OCC2 1704343952 HYELVNMFMJEKTQ-UHFFFAOYSA-N 327.380 2.992 0 50 EFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3cccnc3)CC[C@@H]21 215470554 KEDMWMYEUAPGAT-MSOLQXFVSA-N 343.471 2.654 0 50 EFAA O=C(NCC1(O)CCOCC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 110658674 TVWJQGVSCHZZSW-WFXMLNOXSA-N 343.467 2.693 0 50 EFAA CC(C)N1C[C@@H](CN(C)Cc2cccc(CN(C)C)c2)CCC1=O 1775984436 UJEDARHWNMTPTL-LJQANCHMSA-N 331.504 2.827 0 50 EFAA CCOc1ccc(C(=O)N2CCCN([C@H]3CCSC3)CC2)cc1 1775984032 GUDUATGJDCJRFO-INIZCTEOSA-N 334.485 2.739 0 50 EFAA CCCN1CCN(C(=O)c2ccccc2C(F)(F)F)CCC1=O 12126017 OLBDPNCDJWQFAP-UHFFFAOYSA-N 328.334 2.790 0 50 EFAA Cc1cnc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 12200985 LILDCHXUNWDYNL-INIZCTEOSA-N 342.418 2.661 0 50 EFAA CC(C)NC(=O)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 12382627 ZQXLFXBUCXJGND-UHFFFAOYSA-N 335.314 2.543 0 50 EFAA CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 16580560 ARBFTMPJWIMYSL-NSHDSACASA-N 328.815 2.847 0 50 EFAA O=C(NC[C@@H]1CCN(C2CCCC2)C1)Nc1ccc2c(c1)OCO2 16622114 OGLLAPBNSNCTLS-ZDUSSCGKSA-N 331.416 2.801 0 50 EFAA Cc1cccc(OCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 19790334 FDHJBFAQIMRGDW-UHFFFAOYSA-N 342.414 2.857 0 50 EFAA CN(Cc1cccc2cccnc12)[C@H]1CCOC2(CCNCC2)C1 1857677440 BUBKDYMUUAYQOT-SFHVURJKSA-N 325.456 2.968 0 50 EFAA Cc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cnn1 225525452 OQAWDAPTZIGXLE-UHFFFAOYSA-N 348.809 2.536 0 50 EFAA CCc1csc([C@@H]2CCCN(C(=O)NCc3ccnc(C)n3)C2)n1 113599772 HWYQMUDJWJLPGM-CYBMUJFWSA-N 345.472 2.893 0 50 EFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](C(=O)O)C1 136147202 LRAYRONUENUDCF-WDEREUQCSA-N 345.317 2.796 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 137219947 QSSIVPATMDKBGG-LPHOPBHVSA-N 338.407 2.815 0 50 EFAA Cn1c(CNC(=O)[C@H]2CCCc3nccn32)nc2cccc(Cl)c21 355913502 WWWCCXHNCSKZBR-CYBMUJFWSA-N 343.818 2.617 0 50 EFAA O=C(COC1CCCCC1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 365654514 RBIYCAAYXILUTN-FQEVSTJZSA-N 349.446 2.929 0 50 EFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)c(F)c(F)c2)C1 379249931 BNCVZQKRSYSMJJ-XVKPBYJWSA-N 326.240 2.598 0 50 EFAA O=C(O)[C@H]1C[C@H](Nc2ncc3scc(Br)c3n2)C1 900965282 LQDLXKDFNVFSEL-IZLXSQMJSA-N 328.191 2.729 0 50 EFAA C[C@H]1CN(CCOc2cccc(C(=O)O)c2)CCN1c1ccccc1 903956465 CUHVLJJQRBTJSP-INIZCTEOSA-N 340.423 2.974 0 50 EFAA COc1nccc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)n1 839151624 FPAJSAGMUSORON-QGZVFWFLSA-N 349.381 2.709 0 50 EFAA CCCn1ncc(CN2CC[C@H](Cc3nc(C(=O)O)cs3)C2)c1C 1875298588 GXIXSYRSVHHIDO-CYBMUJFWSA-N 348.472 2.821 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H]2[C@@H](N[C@H]3CCc4c[nH]nc4C3)CC[C@H]2C1 1875275072 UQYVSKYIMFDZTQ-JONQDZQNSA-N 346.475 2.502 0 50 EFAA COC1(OC)CC2(CN(C(=O)N[C@H](C)C(F)(F)F)[C@H]2C(C)C)C1 877871059 JGDKYUATEIZCDZ-MNOVXSKESA-N 338.370 2.756 0 50 EFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3sccc3C)C2)ccn1 886056879 FNELSXYVDZRDJQ-KRWDZBQOSA-N 345.468 2.741 0 50 EFAA Cc1cccc2c1CC[C@H]2Nc1nc2ccccc2c(=O)n1CCO 892340194 NPOCNGUZPMMVOG-GOSISDBHSA-N 335.407 2.797 0 50 EFAA Cc1ccnc(N2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)n1 895297628 MAQDCVMVAONAJL-CVEARBPZSA-N 343.431 2.656 0 50 EFAA CCOC(=O)c1cnn2ccc(NCc3cnc(C4CC4)nc3)cc12 1183991563 LHLHFSIPJXWFPD-UHFFFAOYSA-N 337.383 2.791 0 50 EFAA C[C@H](N=c1cc[nH]c2ccc(Br)cc12)c1ncn(C)n1 436427061 ZKLCWVBSQRMPRI-VIFPVBQESA-N 332.205 2.721 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Cl)c1 4171037 QVKDQBFTAMQYMG-AWEZNQCLSA-N 337.803 2.797 0 50 EFAA CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)c2ccccc12 4269373 HUMCGPISPVSXMG-CYBMUJFWSA-N 335.425 2.696 0 50 EFAA COC(=O)c1ccc(OCC(=O)c2ccc(OC)cc2OC)cc1 6405351 YDNZKRCNYHVUMJ-UHFFFAOYSA-N 330.336 2.752 0 50 EFAA Cn1cnc2nc(N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ncc21 2100541276 YSPCUUQNMQXPCZ-CYBMUJFWSA-N 347.426 2.699 0 50 EFAA Cc1nc(O)c(C)c(N2CCC(C(=O)Nc3ccccc3)CC2)n1 2325802246 TWXZMOAKFBPULG-UHFFFAOYSA-N 326.400 2.654 0 50 EFAA Cn1ccc2[nH]c(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[nH][nH]3)cc21 2325841139 FKRQNCAYCQIRTP-UHFFFAOYSA-N 341.321 2.849 0 50 EFAA COc1ccc2cc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)n(C)c2c1 2325861499 RUEWNDKXDBVTJM-UHFFFAOYSA-N 348.366 2.619 0 50 EFAA Cc1nn(CC(=O)N(CC(F)(F)F)c2ccccn2)c2ncccc12 902817600 VAJHAWVWIITIRO-UHFFFAOYSA-N 349.316 2.730 0 50 EFAA CC(C)(C)[C@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(N)=O 903670431 UTZYNMBTIHJZEF-MRXNPFEDSA-N 325.412 2.742 0 50 EFAA CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2cccc(C)c2)c1 44009 PEQBMAMSHKHJIJ-UHFFFAOYSA-N 349.408 2.512 0 50 EFAA COc1ccc(C[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 261235 FEBAMZNDIGRLDO-CQSZACIVSA-N 325.364 2.826 0 50 EFAA COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 316941 IVSIQFUHCSLBMI-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA CCN(CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C 390502 YUGJLXLFBFLSGF-UHFFFAOYSA-N 342.443 2.547 0 50 EFAA c1csc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1 2351452 NMKZIRPXNGHTMZ-UHFFFAOYSA-N 339.409 2.707 0 50 EFAA Nc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)s1 2509174 YYDWIRIIKMIGRM-UHFFFAOYSA-N 334.348 2.870 0 50 EFAA CSc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O 4831645 QGMHZUWTZJNKBG-UHFFFAOYSA-O 338.883 2.842 0 50 EFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6742221 KKGKJGJVNHIQPH-HZPDHXFCSA-N 342.395 2.528 0 50 EFAA COCc1csc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 225563664 CEUVVSYIXFKPJN-HUUCEWRRSA-N 346.456 2.856 0 50 EFAA CC1(C)CC(=O)c2cc(C(=O)N3CCc4ccccc43)c(=O)[nH]c2C1 67630296 GAYXBXYVZHBBDQ-UHFFFAOYSA-N 336.391 2.733 0 50 EFAA COCc1nnc(NC(=O)CN2CCC[C@H]2c2ccccc2C)s1 65417805 MAVFIEACOVAPJO-AWEZNQCLSA-N 346.456 2.769 0 50 EFAA Nc1ccnc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)n1 135141029 LILFGYFRCAJRFH-IAGOWNOFSA-N 326.444 2.927 0 50 EFAA C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1nnnn1C1CC1 248720989 GMCHYOPZZWIHLP-JJRVBVJISA-N 327.432 2.827 0 50 EFAA Cc1cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)ccc1F 67935464 ZVBTVQUXJLXKAM-OAHLLOKOSA-N 334.435 2.707 0 50 EFAA CC(C)Nc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 67559359 GUYJIKSTZZFZNZ-OAHLLOKOSA-N 341.411 2.862 0 50 EFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc[nH]2)CC1 67852091 ZWRLUHGFWXXHON-UHFFFAOYSA-N 343.431 2.673 0 50 EFAA CCCOc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1OC 119107015 OSOWOQLWHYSXSX-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1364069711 FZWKBCYRUHQYDG-SNVBAGLBSA-N 348.790 2.871 0 50 EFAA CCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 71749747 KWOQDDNQBOVGAH-LJQANCHMSA-N 343.515 2.889 0 50 EFAA CSc1nccc(N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)n1 72152576 WDZMYCWNIDJNAU-GOSISDBHSA-N 340.452 2.713 0 50 EFAA Cn1ncc2c(NC[C@@H](O)c3cccnc3)nc(C3CCCC3)nc21 72143157 FDHDBPVHWQGJPT-OAHLLOKOSA-N 338.415 2.561 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)Nc2ccnc3ccnn23)c2ccccc21 328587845 AOEGPEITTYXRDV-CQSZACIVSA-N 349.394 2.598 0 50 EFAA Cc1ccn(C2CCN(C(=O)[C@@H]3Cc4cccc(C)c4O3)CC2)n1 451277832 MVOXSCAXUHYAGD-KRWDZBQOSA-N 325.412 2.667 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C2CC2)nn1 329949832 LQJBCZGMACMLND-NSHDSACASA-N 328.338 3.549 0 50 EFAA O=C(NCc1cn2ccccc2n1)c1cccc(CC2CCNCC2)c1 72149219 MDOGIHTYQBMHEY-UHFFFAOYSA-N 348.450 2.806 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cnn(C(C)(C)C)c2)c1 282496280 MWINWANSLJJYDC-RDJZCZTQSA-N 343.427 2.595 0 50 EFAA COc1ccc(C)cc1Cc1noc(C2(O)Cc3ccccc3C2)n1 368923818 CZMMRVKWNVQLAO-UHFFFAOYSA-N 336.391 2.964 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 370581024 ZUNQVDZMFWFVNC-ZDUSSCGKSA-N 336.395 3.133 0 50 EFAA COc1ccc(OC2CCN(C(=O)c3nc(C)oc3C)CC2)cc1 77555696 AFOOHYMLZIGDGV-UHFFFAOYSA-N 330.384 2.984 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C(F)(F)F 262383725 XGGPJCFYSDURHW-NXEZZACHSA-N 327.258 2.768 0 50 EFAA Cc1nc(CC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 72479728 IWSCFKHCNNFLMG-SFHVURJKSA-N 342.420 2.631 0 50 EFAA Cc1cccc(NC[C@@H]2CCN(C[C@H]3CC4(CCC4)C(=O)O3)C2)n1 240321535 FADOAUQSLGHKMP-JKSUJKDBSA-N 329.444 2.610 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)c2ccncc2Cl)C1 174271869 FJNQTYMEPWEORR-CYBMUJFWSA-N 345.830 3.000 0 50 EFAA C[C@H](C(N)=O)N1C[C@@H](c2ccccc2)O[C@H](c2ccc(F)cc2)C1 242302167 YPZWLENSOQSWLB-BVGQSLNGSA-N 328.387 2.814 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@H](C2CCOCC2)C1 339083375 QGGOXNLFALRXGG-VQTJNVASSA-N 342.483 2.926 0 50 EFAA Cc1ccc2[nH]c(CNC(=O)Cc3c(C)nn(C(F)F)c3C)nc2c1 174887100 LAICOPGWVLJNHS-UHFFFAOYSA-N 347.369 2.939 0 50 EFAA C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 45744831 CJQBTPWSVBVDMB-CYBMUJFWSA-N 330.881 2.740 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 17070619 ZOZLGGUSQQPSPN-UBHSHLNASA-N 335.400 2.772 0 50 EFAA Cn1nccc1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 426434832 KJMVVWIWLYDHQZ-HNNXBMFYSA-N 345.418 2.809 0 50 EFAA COc1ccc2c(c1)c(C(=O)NC[C@@H](C)n1cc(C)cn1)c(C)n2C 426389679 MVSGYHPJMOKWSN-CYBMUJFWSA-N 340.427 2.991 0 50 EFAA O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@H]1c1cccnc1 426622918 KAXRWOZDGAJRTA-HNNXBMFYSA-N 343.456 2.821 0 50 EFAA Cc1cccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c1 91746110 MWXWIFUPNORYQI-UHFFFAOYSA-N 340.471 2.773 0 50 EFAA CCCc1cc(C(=O)NCCCN2CCCc3ccccc32)n(C)n1 96152180 IRKNPAFVWBOUHS-UHFFFAOYSA-N 340.471 2.945 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1ccc(Br)cc1 239433293 XMHPLDXMHVGPMD-DUBDDPSESA-N 347.212 2.626 0 50 EFAA COCc1cc(CN(C)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)n[nH]1 91575526 JMVADOGOORYUCF-UHFFFAOYSA-N 340.427 2.646 0 50 EFAA CCCSCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 95371584 WRPFDIKNIDREAG-DZGCQCFKSA-N 339.530 2.709 0 50 EFAA COCc1ccc(C(=O)NC[C@@H]2COc3c(cccc3OC)C2)s1 95508936 PSVUHVVGEZRQOG-GFCCVEGCSA-N 347.436 2.884 0 50 EFAA Cc1cc(C)cc(N2CCN(Cc3[nH]nc(C)c3Cl)CC2=O)c1 97717406 IXCJJISLJLFTQA-UHFFFAOYSA-N 332.835 2.837 0 50 EFAA CCCn1cc(C(=O)N(CCO)Cc2ccccc2Cl)c(C)n1 91747125 AFYIJKLWHZPUSO-UHFFFAOYSA-N 335.835 2.890 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-c1ncc[nH]1 244691776 JJENKXTWQHCJPP-DEYYWGMASA-N 348.406 2.714 0 50 EFAA O=C(c1csc(Nc2cc(F)cc(F)c2)n1)N1CCC[C@H](O)C1 294722204 BZGAKKGLLDEGQK-LBPRGKRZSA-N 339.367 2.762 0 50 EFAA OC1(c2ccc(F)cc2)CCN(C[C@@H]2COc3ccccc3O2)CC1 244796032 RRSKZYPNVGSASB-QGZVFWFLSA-N 343.398 2.949 0 50 EFAA O[C@@H](CN1CCc2ccc(-c3ccccc3)cc2C1)Cn1cccn1 295777955 TXTNHSFBZXFLBS-NRFANRHFSA-N 333.435 2.969 0 50 EFAA COc1cc(F)c([C@H](C)NC(=O)N2C[C@H](C)OC[C@H]2C)cc1OC 182899393 ZCLOIWYMNNFCTC-WOPDTQHZSA-N 340.395 2.723 0 50 EFAA Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)nc2c1CCCC2 534667300 GLDCZYFVKXHBSV-UHFFFAOYSA-N 337.423 2.803 0 50 EFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](CO)C(C)C)c12 479477784 UTIOGPVHBXBLCN-MRXNPFEDSA-N 339.395 2.945 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1nc2ccccc2o1 299769276 LJPUDLHRCYHMLC-UHFFFAOYSA-N 338.411 2.721 0 50 EFAA COCCN(Cc1cccc2ccccc12)C(=O)[C@@H]1CCCN1C 824400770 VBWAGWXGJOURCV-IBGZPJMESA-N 326.440 2.909 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C3CC3)c2)CS1(=O)=O 685940237 YPSKMSCVCWERKG-MFKMUULPSA-N 340.420 2.790 0 50 EFAA COc1cccnc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 1416996842 ZDQOZUIBRGPHLZ-ZDUSSCGKSA-N 331.803 2.752 0 50 EFAA Cc1cccc(C(=O)NC[C@H]2CCCN(c3ccncc3F)C2)n1 952982243 YGKJZSIVQJEIAT-CQSZACIVSA-N 328.391 2.571 0 50 EFAA C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)Cn1cccn1 221842267 VITPDRYPZHHNEO-KBAYOESNSA-N 342.443 2.739 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)c2ccc(Cl)s2)o1 275341663 KURHVOZPOPZRIA-SCZZXKLOSA-N 341.820 2.797 0 50 EFAA CCc1nnc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc1CC 277112677 YFRAMBLXVFGDPK-BDJLRTHQSA-N 334.370 2.587 0 50 EFAA Fc1ccc(CN2CCCN(c3nc4ccccn4n3)CC2)cc1 170603391 TVVKLMISCLEWHY-UHFFFAOYSA-N 325.391 2.581 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 279517712 LNCSNNZIKIIQAL-QWQRMKEZSA-N 348.443 2.671 0 50 EFAA Cc1csc([C@H](C)CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 186824275 NYFIGYDYMHAOOB-KMUNFCNLSA-N 331.441 2.513 0 50 EFAA C[C@@H]1CN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C[C@H]1CO 191872386 FTIBFFBOIRRTCN-OLZOCXBDSA-N 330.453 2.728 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)n1 681867017 MAZMZCUGBNCSJT-VDZJLULYSA-N 342.443 2.883 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc2nc(C(F)(F)F)oc2c1 648541775 ZCZISHFNRIMQLV-MRVPVSSYSA-N 341.289 2.844 0 50 EFAA O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCN(CC(F)(F)F)C1 194109091 SUOGKSXLRUSIJY-SNVBAGLBSA-N 326.322 2.776 0 50 EFAA O=C(NCc1ccc2occc2c1)N1CC[C@H](C(=O)N2CCCC2)C1 661576459 DPNJSIIVXPCIQU-INIZCTEOSA-N 341.411 2.587 0 50 EFAA O=C(CCc1ccccc1F)N1CCCN(C[C@H]2CCCCO2)CC1 989648531 PSQVYFBRHTXFJQ-GOSISDBHSA-N 348.462 2.862 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)CSc2nnc(C)o2)c1 1506409392 GXOHFFCENPEDLI-CQSZACIVSA-N 333.413 2.842 0 50 EFAA CCc1csc(CNc2nc3cc(C(=O)O)cnc3n2CC)n1 1506426896 JWVZVSHPECJGSW-UHFFFAOYSA-N 331.401 2.780 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1 1704302916 DGZLRDPYFXISHQ-ZDUSSCGKSA-N 333.457 2.528 0 50 EFAA Cc1cnc(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 155528176 BYQJTWSBPIBKSF-UHFFFAOYSA-N 334.825 2.864 0 50 EFAA O=C(CN1CCC(c2ccnc(O)c2)CC1)N1CCc2ccccc21 1772807295 LZFUFBUIIWNLGL-UHFFFAOYSA-N 337.423 2.556 0 50 EFAA COc1ccc(CCC(=O)N2CCC3(CC2)CO[C@H](C)C3)cc1O 1772712895 UEAWJDWGEIQZBL-CQSZACIVSA-N 333.428 2.751 0 50 EFAA CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1 11842286 ZQIJEFBSKBFRKA-LJQANCHMSA-N 343.515 2.841 0 50 EFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCC2)nn1 11936671 PUVCMVQMISFVQT-UHFFFAOYSA-N 330.436 2.568 0 50 EFAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc2cc[nH]c2c1 12836081 RHLVBWMRWLDGSW-GOSISDBHSA-N 347.418 2.741 0 50 EFAA CCc1cc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)on1 15063374 UMQFAHKQXJCIHH-MRXNPFEDSA-N 349.394 2.896 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)cc1 16622768 BIGQSVYERNDLQA-UHFFFAOYSA-N 327.383 2.646 0 50 EFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@@H]1CC(=O)N1CCCCC1 16649876 KVYBMOLABXLLAD-HNNXBMFYSA-N 338.411 2.521 0 50 EFAA Fc1ccc([C@@H]2Cn3nnc(-c4nc(C5CC5)no4)c3CO2)cc1 169758301 ZAMYBRSPRRQXDN-ZDUSSCGKSA-N 327.319 2.616 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1c[nH]c(=N)s1)CC2 1857667323 RPCSKUOWNGBGBF-UHFFFAOYSA-N 339.468 2.557 0 50 EFAA OCc1csc(N2CCc3[nH]nc(-c4ccccc4)c3CC2)n1 1857713684 CQVZEMIDTDULGP-UHFFFAOYSA-N 326.425 2.631 0 50 EFAA O=C(NCCCc1ccccc1Cl)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857733460 LMFJVNSCJZZYGT-USXIJHARSA-N 336.863 2.546 0 50 EFAA Fc1cccc(O[C@H]2CCN(c3ccc4nnc(C(F)F)n4n3)C2)c1 302177011 RACMARQBHBDOJL-LBPRGKRZSA-N 349.316 2.859 0 50 EFAA CC[C@H](CNC(=O)c1cncc(N2CCOCC2)c1)CC(F)(F)F 412640202 UTEBOWSUYARFOB-LBPRGKRZSA-N 345.365 2.627 0 50 EFAA C[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1 225485568 DRPZZEDTKWMOIE-QWHCGFSZSA-N 326.400 2.594 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)nn1C 421582196 YKKBHGLXZXOQIE-LLVKDONJSA-N 336.798 2.530 0 50 EFAA O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2Cl)CC1 253285945 OEMDAISEFXFDSJ-XYPYZODXSA-N 331.821 2.509 0 50 EFAA Cc1c(CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cnn1C 253415561 HCJYZHLAARKMKU-OAHLLOKOSA-N 346.406 2.969 0 50 EFAA COc1cc(CNc2cc(N3CCC[C@H](CO)C3)ncn2)ccc1C 264291049 BDNMPYYMEZTLEY-INIZCTEOSA-N 342.443 2.614 0 50 EFAA Cc1ccn2cnc(C(=O)N3C[C@H](C(=O)O)[C@H](c4ccccc4)C3)c2c1 909829140 ILAFWPIIDBMYKL-HOTGVXAUSA-N 349.390 2.583 0 50 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Cc1cc(N(C)C(C)C)nc(N2CCC(N=c3cc[nH]cc3)CC2)n1 2325775544 FUCLUJIIJJIXSB-UHFFFAOYSA-N 340.475 2.527 0 50 EFAA CO[C@@H]1CC[C@@H]2[C@H](OC)CC[C@@H]1N2CCSC1CCOCC1 2325784389 YZSUIFYLIIBWEK-YYIAUSFCSA-N 329.506 2.555 0 50 EFAA COc1cccc(-c2ccc(=O)n(Cc3cccc(NC(C)=O)c3)n2)c1 2325854622 MXMUPDVNLWXRON-UHFFFAOYSA-N 349.390 2.926 0 50 EFAA Cc1nc(-c2ccc(NC(=O)c3sc([C@@H](C)N)nc3C)cc2)n[nH]1 2325857213 SYJFASAJBUXBGA-MRVPVSSYSA-N 342.428 2.817 0 50 EFAA CCn1cc([C@H](C)NC(=O)[C@@H]2CC[C@](C)(C(=O)O)C2(C)C)c(C)n1 245226106 IOBGBKQWTLEPRL-KQYVJACZSA-N 335.448 2.916 0 50 EFAA CCCC(=O)NC(=S)Nc1ccc(I)cc1 358656 FOBDODKXTFEOBS-UHFFFAOYSA-N 348.209 2.904 0 50 EFAA O=C(NCc1ccccn1)c1ccc(I)cc1 443554 QCKMFXBPFTXZEQ-UHFFFAOYSA-N 338.148 2.616 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(OC(F)(F)F)CC1 2356138327 MDBQVQLFKILDDF-GFCCVEGCSA-N 342.361 2.965 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)cc1 6725587 NJQCPDAOZOUKIB-UQZDFYISSA-N 330.384 2.721 0 50 EFAA CCn1c(SCC(=O)Nc2nncs2)nnc1C1CCCC1 6730562 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EFAA CCn1ncc2c1NC(=O)C[C@H]2c1cnc(NCc2ccccc2)nc1 65372008 JLYMCXHDFUNZNG-HNNXBMFYSA-N 348.410 2.779 0 50 EFAA Cc1c([C@@H](C)NC(=O)c2cnn(C(C)C)c2)cnn1-c1ccccn1 12318672 UXLKSROXADWTFY-CYBMUJFWSA-N 338.415 2.844 0 50 EFAA C[C@@H]1CCCN(CCCOc2ccccc2CN2CCN(C)CC2)C1 215256603 RQNNDIBAGUVRDA-LJQANCHMSA-N 345.531 2.935 0 50 EFAA CCc1ccc(-c2nccn2Cc2cccc(-c3nnn[nH]3)c2)nc1 77506088 KHEGWMUAOAQEDO-UHFFFAOYSA-N 331.383 2.736 0 50 EFAA CC(C)CO[C@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 120884127 IRPONYINRYUVRC-ZDUSSCGKSA-N 349.406 2.989 0 50 EFAA O=C(c1ccc(SCCO)cc1)N1CC(Oc2ccccc2F)C1 216380770 PVZWWTIMFGOPGJ-UHFFFAOYSA-N 347.411 2.814 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 72144421 PFMWFQUJXRHIGF-INIZCTEOSA-N 330.407 2.688 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@@H]1C(C)(C)O 123466476 GNLGXSLCOARVFS-MRXNPFEDSA-N 325.412 2.828 0 50 EFAA O=C(CCc1nccs1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 356553521 CPJSXSIRUJPJHM-GOSISDBHSA-N 348.443 2.669 0 50 EFAA C[C@@H](CNC(=O)c1cn(C)c(=O)c2ccccc12)Oc1ccccc1 428738334 ACVFFNCTWQWEJT-AWEZNQCLSA-N 336.391 2.736 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N(C)c2ccc(Cl)nn2)c1 155422611 XFJDZZHACBQTJC-LLVKDONJSA-N 333.775 2.763 0 50 EFAA CC(C)C[C@H]1CCN(c2ccnc(C(=O)NCCc3c[nH]cn3)c2)C1 72157573 OXAFCCDINLZOFQ-OAHLLOKOSA-N 341.459 2.650 0 50 EFAA COc1ccccc1[C@@H](C)CC(=O)N1CCN(Cc2ccon2)CC1 172798160 GHDOEGHAFVVGQY-HNNXBMFYSA-N 343.427 2.521 0 50 EFAA NC(=O)c1c(SCCc2ccccc2)sc2c(O)cc(=O)[nH]c12 36353577 CNBBRSQBOFTIQS-UHFFFAOYSA-N 346.433 2.729 0 50 EFAA COCCNC(=O)c1cc(N[C@@H]2CCCc3sc(C)nc32)ccn1 71498646 KSWQSFKERHZFHW-CYBMUJFWSA-N 346.456 2.712 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@H](N)C[C@H]2C)cc(Cl)c1OC 237167332 NNMCSPVZHHEYHA-FVKZJRLBSA-N 338.835 2.709 0 50 EFAA C[C@@H](C(=O)N1CCC(C(=N)O)CC1)N1CCCc2ccccc2CC1 333658047 GJIFNPDHDGNWEL-HNNXBMFYSA-N 343.471 2.640 0 50 EFAA O=S(=O)(c1ccccn1)N1CC2(CCOCC2)[C@H]1c1ccccc1 333874640 CISXIBSTMRMSSH-QGZVFWFLSA-N 344.436 2.624 0 50 EFAA C[C@@H]1CC[C@H](CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1 237540405 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EFAA CCn1ncc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1C 97698879 CSIBGBSDTZNVDM-GOSISDBHSA-N 340.471 2.821 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)cn1 97568870 AFCMYCYLWOLUNK-CQSZACIVSA-N 343.452 2.944 0 50 EFAA CCn1ccnc1C1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 97505684 VLKNXPPAPYCOEM-KRWDZBQOSA-N 339.439 2.860 0 50 EFAA CC[C@@H]1Oc2cc([C@H](C)NCC(=O)NC3CCCC3)ccc2NC1=O 180030324 FFCRWNASXAYBTL-LRDDRELGSA-N 345.443 2.506 0 50 EFAA O=C1CCC2(CCN(Cc3cscn3)CC2)CN1C[C@@H]1CCCO1 91519331 NUXRLEJNBYVCGB-INIZCTEOSA-N 349.500 2.527 0 50 EFAA Cc1cc(C(=O)NC[C@@H](O)c2cccs2)cc2sc(N)nc12 97732721 GXUKCCMAHRQVDD-SNVBAGLBSA-N 333.438 2.712 0 50 EFAA C[C@@H](NC(=O)c1cnc(-c2ccncc2)nc1)c1nc2ccccc2[nH]1 97797656 LOMGTSHBRFAGFN-GFCCVEGCSA-N 344.378 2.906 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCC[C@](CC2CC2)(C(=O)O)C1 91593758 VLLXZHWXDTZDSJ-MRXNPFEDSA-N 340.807 2.754 0 50 EFAA COc1ccc2c(C)c(C(=O)NCc3ncc4c(n3)CCC4)oc2c1 91645688 GHGNOEKMQITZFM-UHFFFAOYSA-N 337.379 2.959 0 50 EFAA O=C(c1cccc(N[C@H]2CCOC3(CCC3)C2)c1)N1CCC[C@@H](O)C1 294813573 QOHBIIUACALZDW-ZWKOTPCHSA-N 344.455 2.797 0 50 EFAA COCCc1ccc2oc(NCc3c(C)nn(C)c3OC)nc2c1 181869446 GJCIJBLFVUJJNK-UHFFFAOYSA-N 330.388 2.679 0 50 EFAA COc1coc(CN2CCCC[C@H]2CCn2ccnc2C)cc1=O 252494891 OHLUQPWGXXDGEN-HNNXBMFYSA-N 331.416 2.598 0 50 EFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H](C)Cn1cncn1 820618036 DPIQIYNHHVEISS-KRWDZBQOSA-N 349.438 2.847 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)C1(N2CCCC2)CCCC1 827661172 JTASYYFIGXQMDC-UHFFFAOYSA-N 338.455 2.897 0 50 EFAA COCCN1CCC[C@H](c2nc(-c3cccc4c3ccn4C)n[nH]2)C1 824413135 GUNDLSCCLIOYBH-AWEZNQCLSA-N 339.443 2.789 0 50 EFAA O=C(NC1(Cc2ccc(Cl)cc2)CC1)N1C[C@H]2CC[C@@H](C1)NC2 825539245 AFVHPLQIAXRAIH-HOCLYGCPSA-N 333.863 2.809 0 50 EFAA CCCN(Cc1ccccc1F)S(=O)(=O)c1cnc(CC)[nH]1 952873258 JQHTZMCRDMUGIY-UHFFFAOYSA-N 325.409 2.712 0 50 EFAA CC[C@@H](C)Oc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 408512974 CEWSQOQQLCHCOY-GFCCVEGCSA-N 348.424 2.764 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)N1C[C@H]2CCCN[C@H]2C1 1565527731 OPDNEDMNCURJIU-MFKMUULPSA-N 329.227 2.583 0 50 EFAA C[C@@H]1CCN(c2nnc(-c3ccccn3)s2)C[C@H]1n1ccnc1 273724218 HDDMZPCDRSSIOV-TZMCWYRMSA-N 326.429 2.884 0 50 EFAA C[C@@H](O)CNC(=O)c1cccc(Oc2nc3cc(F)ccc3o2)c1 169999319 ZSBJZHRLTBUASJ-SNVBAGLBSA-N 330.315 2.870 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 278338871 MMLNIKKKGJMNRQ-LJQANCHMSA-N 338.407 2.764 0 50 EFAA COc1ccnc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c1 170596553 AMRGLEIGCKWOMY-CQSZACIVSA-N 343.402 2.576 0 50 EFAA O=C(NCc1ccc(Br)cc1)N[C@H]1CCC[C@H]1CCO 187044762 DXDIYYNBXANZIZ-JSGCOSHPSA-N 341.249 2.799 0 50 EFAA CC(C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(C(C)C)c2)C1 662118243 VKRFXLBJBWDBAO-KRWDZBQOSA-N 345.487 2.985 0 50 EFAA Cn1nnc2c(Nc3ccc(OC4CCCC4)c(F)c3)ncnc21 663667371 GMILIRZTKNFOOY-UHFFFAOYSA-N 328.351 2.962 0 50 EFAA CC1=C(c2ccccc2)[C@H]1C(=O)Nc1nnc(CCN(C)C)s1 1506397616 FHZMREDKCVJNCS-HNNXBMFYSA-N 328.441 2.684 0 50 EFAA COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccco1 1083117 INEZCFOATYRSBW-MDWZMJQESA-N 345.332 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EFAA C[C@@H](NC(=O)c1ccnc2[nH]c(O)nc12)c1cccc2cccnc12 2325870729 MLSBGHJVPAQKEI-SNVBAGLBSA-N 333.351 2.703 0 50 EFAA O=c1c2c(nc3n1C[C@H](O)CS3)-c1ccccc1CC21CCCC1 242599 YTNJEMYCYKTNFQ-ZDUSSCGKSA-N 340.448 2.745 0 50 EFAA COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2ccco2)C1 376040 NARIVMLVRMYFLW-CQSZACIVSA-N 342.351 2.831 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@H]21 2356149023 FSACXWMWWZNCMN-KHYOSLBOSA-N 325.412 2.643 0 50 EFAA CCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(CC)CC1 4749074 ZCRXZQSFSOKKMO-UHFFFAOYSA-N 347.459 2.744 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 6725422 GELDDCZLWZAGHR-JWAGFEDZSA-N 331.368 2.533 0 50 EFAA CN(CCc1ccccc1)[C@@H]1CCCN(CCCn2cccn2)C1 23375453 HZHNLBVKOXZQRT-HXUWFJFHSA-N 326.488 2.912 0 50 EFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)[C@@H](O)Cc1ccccc1 55060661 JORNNPLTTYOYHH-KRWDZBQOSA-N 337.375 2.952 0 50 EFAA Cc1ccc(CN2CC[C@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 67712667 UTXURIRJEIJBJU-OAHLLOKOSA-N 346.862 2.634 0 50 EFAA 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EFAA CSCCCNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12597563 LJWHMHSDBCAQSG-QGZVFWFLSA-N 348.512 2.727 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19211558 AVLMRGRKHPZMGH-UHFFFAOYSA-N 330.453 2.502 0 50 EFAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]2CC[C@H]1O2 168190675 ADFBGRDZUXKUKP-DDHJBXDOSA-N 329.274 2.522 0 50 EFAA Cc1nc2ccccc2nc1-c1nccn1C[C@H]1CC(=O)N(C2CC2)C1 1857671166 QFKHNFZKOMBEBA-CQSZACIVSA-N 347.422 2.813 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)CCCCc2ccccc2)CC[C@@H]1O 1857715119 CHGBSLXWPBQIKF-ICSRJNTNSA-N 333.472 2.771 0 50 EFAA COC(=O)[C@@H](N)CCC(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1 1875247413 VIMJBGXXQAQDCD-INIZCTEOSA-N 341.411 2.584 0 50 EFAA CCC[C@@](C)(O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 119885888 MXCYYQUOOAFYFD-GOSISDBHSA-N 338.879 2.972 0 50 EFAA Cc1cnc(CCNS(=O)(=O)Cc2cc(Cl)ccc2F)s1 124300564 QWGJYWKJIMUQBB-UHFFFAOYSA-N 348.852 2.906 0 50 EFAA CNc1ccccc1CNC1CCN(c2cc(C)nc(C)n2)CC1 902302126 OHKIVCYMGBYTNE-UHFFFAOYSA-N 325.460 2.894 0 50 EFAA Cc1ccc(CSc2ncn(Cc3noc4c3COCC4)n2)cc1 902722113 FTVFGVHNQXMHQR-UHFFFAOYSA-N 342.424 2.988 0 50 EFAA Cc1c(Br)cccc1CCNC(=O)c1coc(CO)c1 830552548 ZYPMLXPYYRQUHQ-UHFFFAOYSA-N 338.201 2.815 0 50 EFAA CC1(C)CC[C@@H](CCNC(=O)Nc2cnc3c(c2)COCC3)OC1 930748362 DDOFQWDGRZXZCF-HNNXBMFYSA-N 333.432 2.871 0 50 EFAA CN(C(=O)c1ccc(F)cc1)[C@H]1CCN(C(=O)Cc2ccccc2)C1 938817513 XFDURVNIYSECGW-SFHVURJKSA-N 340.398 2.741 0 50 EFAA N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2csc(C3CC3)n2)C1 846698372 FMHNLFJFXMZYLE-YUELXQCFSA-N 335.473 2.522 0 50 EFAA C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)C2CC(F)(F)C2)C1 1875279590 FUZBEXVVPVNWAB-GXTWGEPZSA-N 344.427 2.539 0 50 EFAA Brc1ccc(-c2noc([C@H]3CCc4ncnn4C3)n2)cc1 1875259420 LPKQMPLJOYLQTN-JTQLQIEISA-N 346.188 2.821 0 50 EFAA Cc1noc(C23CC(CNC(=O)OC(C)(C)C)(C2)OC32CCC2)n1 1875281261 YRLQUSBPXGFVEP-UHFFFAOYSA-N 335.404 2.626 0 50 EFAA CN1C(=O)CCC[C@H]1c1nc(-c2ccc(N3CCCCC3)nc2)no1 1875280931 HIXQSCAXXLBVTO-AWEZNQCLSA-N 341.415 2.805 0 50 EFAA O=C(N[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@H]21)c1cccc2ccccc12 1875330178 RHAVYKAUGGPCCP-ATZDWAIDSA-N 344.418 2.885 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCC2 1875334629 XGFSGTKXLLRSLP-QGZVFWFLSA-N 329.421 2.896 0 50 EFAA COc1cc(-c2nc(-c3ccc(N(C)C)cn3)no2)nnc1C1CC1 1875310882 FZCSZNVNTOPZLW-UHFFFAOYSA-N 338.371 2.541 0 50 EFAA O=C(O)c1cc(CNc2nc(C(F)(F)F)nc3sccc23)[nH]n1 1875333318 ODLKVIOOPAYELM-UHFFFAOYSA-N 343.290 2.744 0 50 EFAA Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](C(F)(F)C(=O)O)C3)cc12 1875317552 CGBDNTGYNCKVEX-VIFPVBQESA-N 340.301 2.797 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CCCc3cc(CC)ccc32)CC1 1875369816 JXGGERUWOMCCGX-UHFFFAOYSA-N 326.440 2.953 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 1875373902 UDQQCDNWMMFSSJ-LBPRGKRZSA-N 341.415 2.568 0 50 EFAA O=C(Cc1c[nH]c2cc(F)ccc12)NCc1n[nH]c2c1CCCC2 1775988218 CCKKKFLYIOBSBJ-UHFFFAOYSA-N 326.375 2.768 0 50 EFAA C=CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1776000315 VBHUNELIKCEEMY-UHFFFAOYSA-N 348.468 2.860 0 50 EFAA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N[C@H]1C[C@@H](CO)C1 2325760338 UOLXADGYFUERED-XZQDKNRNSA-N 338.407 2.561 0 50 EFAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cc2c(o1)CCCC2 2325785588 FLBJCTUQKWCSNJ-JCURWCKSSA-N 349.862 2.938 0 50 EFAA C[S@](=O)(=NC(=O)c1cccc(C2CC(F)(F)C2)c1)[C@@H]1CCNC1 2325799265 CBMZHUCZOVGDRD-QKFKETGDSA-N 342.411 2.799 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)c1Cc1ccccc1 2325840566 GKVGGZODKLOINP-UYAOXDASSA-N 347.418 2.919 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](N)c1ccccc1 131825911 NYBKGBHOIUIIMC-UXHICEINSA-N 349.434 2.767 0 50 EFAA COC(=O)c1cc(NC(=O)Nc2ccccc2)cc(C(=O)OC)c1 461285 WQFBGPQIFHDFRJ-UHFFFAOYSA-N 328.324 2.904 0 50 EFAA S=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 611260 HPIYQYYPCDEZBX-UHFFFAOYSA-N 330.365 2.995 0 50 EFAA COc1ccc(Cc2nn3c(C(F)(F)F)nnc3s2)cc1OC 2208219 DZTKKNAPYNVFCF-UHFFFAOYSA-N 344.318 2.813 0 50 EFAA COc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl 2927523 LBLJZORJKZLVAW-UHFFFAOYSA-N 332.743 2.895 0 50 EFAA biogenic CC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 4866008 KIKQXEVURPRMCL-UHFFFAOYSA-N 337.423 2.536 0 50 EFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 6725420 GELDDCZLWZAGHR-VVUBSENTSA-N 331.368 2.533 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1OC 6730297 GCYWBXLEDFNDIC-UBHSHLNASA-N 335.400 2.772 0 50 EFAA Cc1cc(OC[C@@H](O)COC2CCOCC2)ccc1Br 225510434 YXPYKKKFMSOMMO-LBPRGKRZSA-N 345.233 2.693 0 50 EFAA COCCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)cc1 55308440 PJRFXTJSVBMARO-UHFFFAOYSA-N 332.425 2.670 0 50 EFAA Cc1cc(Br)cnc1NC(=O)NC[C@H](O)c1ccco1 133588470 CCIZMHYAAAFYQY-JTQLQIEISA-N 340.177 2.601 0 50 EFAA CC1(C)[C@H](NC(=O)NC[C@H](c2ccco2)N2CCCC2)[C@H]2CCO[C@H]21 247035052 RGSJGYKRYNIYGH-MUIFIZLQSA-N 347.459 2.529 0 50 EFAA COc1ccccc1-n1nccc1CN1CC[C@@H](c2nc(C)no2)C1 344848142 BTJLQCSQMQTRTJ-CQSZACIVSA-N 339.399 2.562 0 50 EFAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H]1c1nonc1C 65387506 RUWXWBDZWPOUFP-KRWDZBQOSA-N 340.427 2.803 0 50 EFAA Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O 62001410 GSTAVRGLFGEEIM-UHFFFAOYSA-N 345.402 2.992 0 50 EFAA biogenic CCN(c1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)CC 67603696 JFONUXMHULDQSI-AWEZNQCLSA-N 338.473 2.735 0 50 EFAA Cc1ccc(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1 11661380 XWKUETTXQNKHTJ-UHFFFAOYSA-N 330.775 2.811 0 50 EFAA COc1ccc(F)c(F)c1CN1CCN(CC(C)C)C(=O)[C@@H]1C 77519427 FOKNMTDOPFQMMO-LBPRGKRZSA-N 326.387 2.662 0 50 EFAA CCn1ccc2ccc(CN3CCC[C@@H](CS(C)(=O)=O)C3)cc21 215058865 CORAEAAQXNEKRC-MRXNPFEDSA-N 334.485 2.918 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)n1)N[C@@H]1CCc2[nH]ncc2C1 123761628 PICOJPBSJHKOQG-SECBINFHSA-N 325.294 2.503 0 50 EFAA CCOC(=O)c1coc(N(C)Cc2nc(-c3ccccc3)no2)n1 77407925 OIEVYWJBDCFGLZ-UHFFFAOYSA-N 328.328 2.538 0 50 EFAA CCc1cc(N2CCN(Cc3csc(C(C)=O)c3)CC2)ncn1 215602766 BPTHJAMIFREGBD-UHFFFAOYSA-N 330.457 2.625 0 50 EFAA C[C@@H]1C[C@H](c2cccs2)CN1C(=O)c1cnc2ccccn2c1=O 371012701 ZCDFGFJMWUJRHA-OLZOCXBDSA-N 339.420 2.774 0 50 EFAA Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCCC12CCOCC2 282057220 MMROCWSYKCWCTQ-MSOLQXFVSA-N 333.472 2.982 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)C[C@@H](C)CC2=O 71385035 UJSQCSWPAXSGLQ-NEPJUHHUSA-N 336.391 2.731 0 50 EFAA O=C(c1ccccc1N1CCCCC1)N1CCC[C@H](c2nc[nH]n2)C1 374533033 DIKFSYKZYJPCGI-HNNXBMFYSA-N 339.443 2.815 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCCc3cn[nH]c3)C2)c1 77355922 XBGZRKFRGNUDMG-OAHLLOKOSA-N 343.427 2.766 0 50 EFAA CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331659 XNECKURMICQLGM-UHFFFAOYSA-N 344.415 2.541 0 50 EFAA CCc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)sc1C 237119801 MXTWKNBVDMZDTN-ZDUSSCGKSA-N 325.430 2.715 0 50 EFAA C[C@@]1(CNC(=O)Nc2ncc(C3CCOCC3)s2)CCOC1 333672147 NYWIMVQUXSJNSK-HNNXBMFYSA-N 325.434 2.585 0 50 EFAA CCN1CC2(CCN(Cc3noc(-c4ccccc4)n3)CC2)CC1=O 72409780 TVNHHCUMYCJBBH-UHFFFAOYSA-N 340.427 2.571 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)c1C 71763548 KPIJKYYOCUXIBD-UCUFBTAOSA-N 329.444 2.597 0 50 EFAA Cc1ncsc1CCNc1nccc(-c2c(C)nn(C)c2C)n1 48445014 AVDYHMDAYYDXBW-UHFFFAOYSA-N 328.445 2.913 0 50 EFAA Cn1nccc1CNC(=S)Nc1ccc(Br)cc1 13767309 PLLSYEFDPZOOSU-UHFFFAOYSA-N 325.235 2.669 0 50 EFAA CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[C@H]1O 241738522 QYGBEFXCJXFDDK-NWDGAFQWSA-N 348.777 2.725 0 50 EFAA Cc1cnc2c(Cl)c(C(=O)N(C)Cc3ncccc3C)nn2c1 71524175 KRBKKPGOCHYXKJ-UHFFFAOYSA-N 329.791 2.667 0 50 EFAA C[S@@](=O)Cc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 173449920 HRMZVPNVVAAORQ-JOCHJYFZSA-N 333.375 2.980 0 50 EFAA Cc1cnccc1N1CCN(C(=O)CCCOc2ccccc2)CC1 220094592 SVBMBZVDEIAETQ-UHFFFAOYSA-N 339.439 2.898 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)c1cn[nH]c1 339828252 STNGNTNBPXMEPQ-GUYCJALGSA-N 330.407 2.781 0 50 EFAA Cc1nc(-c2ccc(CCNC(=O)c3cn(C)cn3)cc2)cs1 340094250 DRXVBMFSAZKIFR-UHFFFAOYSA-N 326.425 2.825 0 50 EFAA O=C(NCc1cc2n(n1)CCCN(CC1CCCC1)C2)C1CCC1 82167343 GJYOVUGIWSZUQJ-UHFFFAOYSA-N 330.476 2.695 0 50 EFAA C[C@H](NC(=O)c1cc(Cl)ccc1OCCN)[C@H](O)c1ccccc1 426548373 BBSMZKJOHIIMHW-SJCJKPOMSA-N 348.830 2.529 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC(F)(F)[C@H](CO)C1 291186560 JBDNQPKGHNHIMH-VIFPVBQESA-N 328.746 2.911 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NC[C@@]3(O)CCC[C@@H]3C)c12 294131580 KTGYWFIBLPBJIX-DJJJIMSYSA-N 330.428 2.776 0 50 EFAA Cc1ccc([C@H](C)CCN2CCN(c3ncnc4[nH]cnc34)CC2)o1 97551385 PRRCXNQXEWKMBT-CYBMUJFWSA-N 340.431 2.570 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCCN(C)C2)n1 95378903 ZMAMDDMYKUPAKI-LBPRGKRZSA-N 344.381 2.542 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 179024967 MTEJZNAOKSEATK-MNOVXSKESA-N 331.243 2.829 0 50 EFAA CC(C)N1CCC(CC(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 95371229 RLENYNOXDINBPP-UHFFFAOYSA-N 332.444 2.544 0 50 EFAA CN1CCCN(C(=O)c2cccc(-c3ncn[nH]3)c2)c2ccccc21 179561581 OAGLFIGZVHAQCX-UHFFFAOYSA-N 333.395 2.958 0 50 EFAA O=C(NCc1cccc(-c2ccccc2)c1)[C@H]1CCCN(CCO)C1 97730183 YWMFUZSYMQEOJO-FQEVSTJZSA-N 338.451 2.674 0 50 EFAA COCCN1CC[C@@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 91505158 IRFJTCZHTFKXDH-HNNXBMFYSA-N 342.443 2.538 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCc1csc(N2CCCC2)n1 95375353 NGFSQSPFGDBOEY-OAHLLOKOSA-N 336.505 2.624 0 50 EFAA CCn1ccnc1C1CCN(S(=O)(=O)c2ccccc2C)CC1 91651293 OTHGQMBZUWTYLS-UHFFFAOYSA-N 333.457 2.780 0 50 EFAA Cc1cc(C(=O)NCCc2csc(-c3cnccn3)n2)c(C)n1C 244893052 YUOKFPGENKNKHW-UHFFFAOYSA-N 341.440 2.528 0 50 EFAA CN(Cc1ccc2nsnc2c1)Cc1noc([C@H]2CCCO2)n1 243893606 ASSFAMZCTIJEMW-CYBMUJFWSA-N 331.401 2.558 0 50 EFAA CCc1c(C(=O)NC[C@@H]2CCCN2CC)cnn1-c1ccccc1C 184021259 ANAOCCZRZOXPBV-INIZCTEOSA-N 340.471 2.957 0 50 EFAA O[C@H]1C[C@@H](c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)C1 252539218 NWTGTGQSIQKDQT-OKILXGFUSA-N 344.846 2.695 0 50 EFAA O=C(COc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1cccnc1 263586541 VNGYIWPLTXIPBS-MRXNPFEDSA-N 340.379 2.943 0 50 EFAA biogenic c1ccc(O[C@H]2CCN(Cc3cnc(N4CCOCC4)s3)C2)cc1 374260752 YNJZXAGPCGWNKI-INIZCTEOSA-N 345.468 2.633 0 50 EFAA O=C(CCC(F)(F)F)NCCc1nc(Cc2ccccc2)no1 299767977 GYSJYOZLHXWJEA-UHFFFAOYSA-N 327.306 2.662 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(OC)ccn2)cc1 584900568 UGLDDGBKQOYHGN-QGZVFWFLSA-N 339.439 2.971 0 50 EFAA CCc1nc(-c2c(C)nn3c(C)cc(C)nc23)n(-c2cccnc2)n1 952966010 BPDKKBKBGQZLCF-UHFFFAOYSA-N 333.399 2.860 0 50 EFAA CCc1c(C)nn(CC(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)c1C 952974989 BTSDDXPQHRXNOT-LBPRGKRZSA-N 341.415 2.631 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCc2ncncc2C1 1462430009 ZZDWYBDENCMZSV-LSDHHAIUSA-N 345.349 2.766 0 50 EFAA CCN(Cc1ccccc1NC(=O)NC1(CN(C)C)CCC1)C(C)=O 408515767 XUZCXOXFLRCAIH-UHFFFAOYSA-N 346.475 2.661 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)c2cccn2C2CC2)cc1 170592922 ZQLLWJGZFXORGT-UHFFFAOYSA-N 347.440 2.764 0 50 EFAA Cn1ncc(Cl)c1CN1CCC(OC[C@@H]2CCCCO2)CC1 187425514 IOARQAGIUIJHCX-AWEZNQCLSA-N 327.856 2.624 0 50 EFAA CCc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)n(C)n1 635749044 IDFIJKAPXBWNHM-QGZVFWFLSA-N 331.391 2.644 0 50 EFAA Cn1ccnc1S[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 188738349 KKCSESBWYDTZEH-AWEZNQCLSA-N 337.395 2.982 0 50 EFAA Cc1n[nH]cc1CN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1 639969754 FNEUYXJTIQCNGC-UHFFFAOYSA-N 326.322 2.807 0 50 EFAA CCOc1ccc(NC(=O)N2CCC[C@@H]2CO)cc1Br 189489744 ZOHJPYKYZKOGJG-LLVKDONJSA-N 343.221 2.836 0 50 EFAA COC(C)(C)C[C@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 190850494 HECJTHNXMIVYJY-QWHCGFSZSA-N 337.468 2.691 0 50 EFAA CC(C)c1nnsc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 222495929 QAIUEEDMINUYBV-CABCVRRESA-N 348.516 2.884 0 50 EFAA N[C@@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 158046754 YVBMBNIFVHUKLM-GFCCVEGCSA-N 345.668 2.985 0 50 EFAA COc1cc2c3c(c1)[C@@](O)([C@@H]1CCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816394 CHKZAKGXQZCUST-VLIAUNLRSA-N 341.407 2.794 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCC1CCCCC1 11951120 QWMGLKIUNCEKCG-HXUWFJFHSA-N 348.462 2.849 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1CCO[C@H](Cc2ccccc2)C1 12028971 KIAIQAQROLDEIE-QGZVFWFLSA-N 339.391 2.542 0 50 EFAA COc1ncccc1C(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C 12056088 IIRZQFYCZZSFDJ-ZDUSSCGKSA-N 349.394 2.742 0 50 EFAA COc1ccccc1CC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12072598 AEKPBAISPHYVJD-OAQYLSRUSA-N 342.483 2.962 0 50 EFAA C[C@@H](NC(=S)NCc1ccccc1)[C@@H]1COc2ccccc2O1 12383353 GKELCBDCMZRUCB-DYVFJYSZSA-N 328.437 2.879 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12430776 WWAHYJWVDJIWPL-OAHLLOKOSA-N 348.834 2.621 0 50 EFAA CC(=O)NC1=NC2=NC(c3ccccc3)=C[C@H](c3ccc(F)cc3)N2N1 13127679 RAJMFTOCXIHJQF-QGZVFWFLSA-N 349.369 2.590 0 50 EFAA Cc1cc(C)c(NC(=O)[C@H]2CCCO2)c(C)c1NC(=O)[C@@H]1CCCO1 13516926 NMYOYKSPQACELR-GASCZTMLSA-N 346.427 2.847 0 50 EFAA S=C(NCCc1ccccc1)N1CCN(Cc2ccccc2)CC1 19815054 KWRFBJWHLQQGIP-UHFFFAOYSA-N 339.508 2.921 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@@H](Cc1ccccc1)C(=O)OC 1857741689 ZYGMIKNTEYHYNG-ABSDTBQOSA-N 333.428 2.578 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(c2ncnc(CC)c2F)C3)o1 912367377 CRUZYDKLWWTYAI-GTNSWQLSSA-N 331.395 2.682 0 50 EFAA O=C(NC[C@@]1(CCO)CCOC1)c1ccccc1Nc1ccccc1 119407543 UAOKEGZMPVQWSI-HXUWFJFHSA-N 340.423 2.949 0 50 EFAA O=C(Oc1cccc2c1OCCC2)C1CCN(c2cnccn2)CC1 842946656 UMQWKVSJJCSDIB-UHFFFAOYSA-N 339.395 2.624 0 50 EFAA FC1(F)[C@@H]2CC[C@H](N=c3[nH]n4cc(-c5cccnc5)nc4s3)[C@@H]21 1875294651 LLXGRXXTUXJDRF-JFGNBEQYSA-N 333.367 2.730 0 50 EFAA O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-n2ccnc2)nc1 1875261210 HWNDNXZOTGSWAF-USXIJHARSA-N 339.395 2.772 0 50 EFAA O=C1Cc2cc(CNC(=O)N[C@@H]3CCc4ccccc4C3)ccc2N1 1875253025 LXYSEOAKVFYZDW-QGZVFWFLSA-N 335.407 2.538 0 50 EFAA O=C(N=c1nc(CC2CC2)[nH]s1)c1ncoc1-c1ccccc1 1875268306 PSVTXZFVQSRLLU-UHFFFAOYSA-N 326.381 2.820 0 50 EFAA Cn1[nH]c([C@H]2CCCN(Cc3cc(Cl)ccc3Cl)C2)nc1=N 1875338301 SLBSFYJEQHZULA-JTQLQIEISA-N 340.258 2.914 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc1 1875368116 RKVMVVAMPMRHTQ-HNNXBMFYSA-N 339.399 2.605 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cccc(-c2ccccn2)c1 1875400113 QXRIFHHNCLBYTD-IOMROCGXSA-N 348.450 2.874 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2nc(C)nc3c2CCCC3)C1 888102673 FIGDCYMFVMNVNP-PBHICJAKSA-N 341.459 2.970 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2noc(C(C)(C)C)n2)C1 888102575 BIENIGNCAHOHFG-OLZOCXBDSA-N 333.436 2.669 0 50 EFAA O=C(N[C@@H]1CCOC12CCOCC2)c1ccnc2cc(Cl)ccc12 890453822 PQVGIRMUMSKLLD-MRXNPFEDSA-N 346.814 2.956 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCN(c2cccc(Cl)c2C)CC1 890982816 LESJTPPLXLEVOR-UHFFFAOYSA-N 346.862 2.880 0 50 EFAA COCc1ccc(CNC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1F 1775988211 BTOZJBQBRLTEOJ-OAHLLOKOSA-N 347.394 2.527 0 50 EFAA C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=C[C@@]2(CCOC2)C1 1775989536 ORKRTLRXEPTKRM-KUHUBIRLSA-N 330.403 2.600 0 50 EFAA NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 542870 MEUHDVVELOMTEH-UHFFFAOYSA-N 329.739 2.978 0 50 EFAA biogenic Cn1cc(N2CCC[C@@H](NCc3cccc(-c4cc[nH]n4)c3)C2)cn1 2325725568 HSTQIVSNRKGUSZ-QGZVFWFLSA-N 336.443 2.569 0 50 EFAA CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1 132704 FWSNZBITEXDMTP-UHFFFAOYSA-N 333.819 2.817 0 50 EFAA COc1ccccc1CC(=O)N1CCN(c2ccccc2F)CC1 339924 IWEYFVYHTQSCGA-UHFFFAOYSA-N 328.387 2.726 0 50 EFAA COc1cccc(NC(=O)c2cccc(NC(=O)CCC(=O)O)c2)c1 521666 MLHCOHGWCMGOMR-UHFFFAOYSA-N 342.351 2.751 0 50 EFAA O=C(NC[C@@H]1CCCO1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 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O=C(Cc1csc(-c2ccco2)n1)N[C@@H]1CCN2CCCC[C@@H]12 229387094 SYRFGSLSSINOCJ-KGLIPLIRSA-N 331.441 2.689 0 50 EFAA O=C1C[C@H](c2ccccc2)N(C[C@@H](O)c2ccc(F)c(F)c2)CCN1 229390694 GIRHFAWEBMNQIV-QZTJIDSGSA-N 346.377 2.561 0 50 EFAA O=C1OCC[C@@H]1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 229428396 QOSGBISJBJBTIF-OCCSQVGLSA-N 347.802 2.885 0 50 EFAA O=C(NCCc1nc(-c2ccccn2)no1)c1cc2sccc2[nH]1 67676370 HCCDLDBDULDQFB-UHFFFAOYSA-N 339.380 2.647 0 50 EFAA COc1ccc(/C=C/S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 1398430 CUMCHZYDQXOPFT-CMDGGOBGSA-N 347.392 2.514 0 50 EFAA CCc1oc(C(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1C 330576875 PGJDBVVSLYAHLG-SMDDNHRTSA-N 346.349 2.822 0 50 EFAA Cc1ccccc1CN1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 328587026 ATKXMIGOYNVTRZ-HXUWFJFHSA-N 341.455 2.776 0 50 EFAA O=C(NCCc1cccs1)N1CCC(O)(c2ccccc2)CC1 184849907 AMEDTGLMZLNPOR-UHFFFAOYSA-N 330.453 2.984 0 50 EFAA c1ccc2nc(N3CCC4(CCCN4Cc4ncc[nH]4)CC3)cnc2c1 72424499 IONRFFHJZGGNOX-UHFFFAOYSA-N 348.454 2.988 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 328612390 ORNZNYRYAJAMDZ-AAVRWANBSA-N 347.440 2.840 0 50 EFAA C[C@@H](c1ccccc1)N1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 253420232 JFEACUCBOJSTTD-YOEHRIQHSA-N 327.428 2.639 0 50 EFAA COc1cccc2c(NC(=O)c3nc4nccc(C)n4n3)c(C)cnc12 253416628 UHDVCQJVBWRSRD-UHFFFAOYSA-N 348.366 2.550 0 50 EFAA c1cnc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)nc1 215350675 WSHZPMBNERJYAA-UHFFFAOYSA-N 338.459 2.637 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)NCc1cccc(-n2cncn2)c1 363235458 VWBHCPWKGRTAQF-INIZCTEOSA-N 348.406 2.840 0 50 EFAA O=C(COc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(CCOC2)C1 153528863 WPGWIKGWVXQSHZ-OAHLLOKOSA-N 329.318 2.723 0 50 EFAA COc1ccc2c(c1)CN(C(=O)CNC(C)=O)[C@H](C1CCCCC1)C2 363956504 BFVQLUXOAUNKSU-IBGZPJMESA-N 344.455 2.665 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C[C@@H](O)c2ccccc2F)C1 375172479 VTIZWWQTMOHILV-RDTXWAMCSA-N 334.391 2.755 0 50 EFAA CC1(C)CN(C(=O)Cc2noc3ccc(F)cc23)[C@@H]1[C@H]1CCCO1 333329970 ODDXTJGIDNLBLW-NVXWUHKLSA-N 332.375 2.925 0 50 EFAA CNC[C@H]1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1 237330047 DPBLZRYFRKQAKC-MRXNPFEDSA-N 325.456 2.852 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CC[C@@H](N)C[C@@H]3C)c2)cc1 237447980 OWRMVNUZXYHBLH-SUMWQHHRSA-N 325.412 2.709 0 50 EFAA O=C(CC1CCC2(CC1)OCCO2)N1CCC[C@@]2(CCCCO2)C1 373158607 IQOHWPIPCGSTGL-SFHVURJKSA-N 337.460 2.872 0 50 EFAA Cc1cc(F)ccc1CN1CCC([C@H](C)N2CCN(C)CC2)CC1 77356348 DWXMFVGVFMQPEC-KRWDZBQOSA-N 333.495 2.982 0 50 EFAA CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC[C@H](Cc2ccncc2)C1 374667403 ZHENDLKKWVZLMM-YFQSIASUSA-N 349.434 2.650 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)N[C@@H](C(=O)O)c1ccccc1 238018046 XVFCJAHJEUTLQO-FUHWJXTLSA-N 325.364 2.633 0 50 EFAA O=C(c1cnn2cccnc12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 44218817 BXWBAPBBZXPXLK-CYBMUJFWSA-N 346.394 2.625 0 50 EFAA Cn1ccc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)n1 158847415 QXBYXJVSNGWCSR-LBPRGKRZSA-N 333.367 2.794 0 50 EFAA CNC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 158938325 SAJVYXCSLSWXKY-HKUYNNGSSA-N 347.478 2.638 0 50 EFAA Cc1[nH]nc2ncc(C(=O)N3CC[C@]4(CCc5ccccc5O4)C3)cc12 377974354 STDMEKQDCQIOIQ-HXUWFJFHSA-N 348.406 2.876 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1C(=O)NC(C)C 262921065 KYXJDXDGRBHPQO-HDJSIYSDSA-N 346.427 2.963 0 50 EFAA CC1(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)CCCCC1 48081021 FCLASGYJLMMTIK-UHFFFAOYSA-N 334.464 2.639 0 50 EFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](c3ccn[nH]3)C2)c1 229219624 SVPGPJOHIBFJTK-SJORKVTESA-N 329.444 2.646 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc2cc[nH]c2c1 82136767 WEADZYWDGWPGFH-UHFFFAOYSA-N 333.351 2.885 0 50 EFAA COc1cccc(CCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)c1 263423892 JJENSGJGFVGWIU-GOSISDBHSA-N 341.407 2.782 0 50 EFAA O=C(O)Cc1ccccc1NC(=O)c1cc(N2CCCC2)ccn1 263561527 CEXBRHACCPRGEM-UHFFFAOYSA-N 325.368 2.561 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cn3ccc4ccccc43)[C@H]2C1 426668250 GDRXWBNYNWZFGU-IMFGXOCKSA-N 342.439 2.826 0 50 EFAA Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C2)c1 290672999 IERMZXFJUXRAMJ-ZBFHGGJFSA-N 326.448 2.669 0 50 EFAA CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CCN1C(C)C 82120182 HNGAWGBHOCNLFR-CYBMUJFWSA-N 328.378 2.978 0 50 EFAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)O 239433092 XEYUSPFUMMEJHA-KXZQCOSOSA-N 327.380 2.793 0 50 EFAA O=C(CCn1cnc2ccccc21)N1CCC[C@@](CO)(CC2CC2)C1 91624974 JHQNPCSEVMDINB-HXUWFJFHSA-N 341.455 2.828 0 50 EFAA Cn1cnnc1Sc1ccc(CN2CCC[C@@]3(CCOC3)C2)o1 95371272 BMJBQMZMKIYUET-MRXNPFEDSA-N 334.445 2.562 0 50 EFAA O=C(CC[C@@H]1CCCN(Cc2ncon2)C1)NCc1ccccc1F 95499387 ABJNQPKGHQFBRG-AWEZNQCLSA-N 346.406 2.517 0 50 EFAA Cn1cnnc1C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1 97360086 RFRCQVIYYZQNPG-UHFFFAOYSA-N 340.406 2.520 0 50 EFAA O=C(c1cccnc1)[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 92037759 YQGDJOTZWKGXDJ-GFCCVEGCSA-N 336.317 2.990 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NS(C)(=O)=O)C1 91876762 PIGIALFLRXHGPJ-CQSZACIVSA-N 337.420 2.574 0 50 EFAA Cc1nc(C(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)c(C)o1 293822184 FZCZQFVTPAPWKN-INIZCTEOSA-N 344.411 2.990 0 50 EFAA C[C@@H]1CN(Cc2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1 91756676 ZWLKXHVWOWKJBE-ACJLOTCBSA-N 325.399 2.964 0 50 EFAA Cc1cccc(-n2nc(C)nc2[C@H]2CCCN(C3CCOCC3)C2)n1 97654058 XONXNUOYFNVGPE-INIZCTEOSA-N 341.459 2.638 0 50 EFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1Cc2nnc(C)n2[C@H](C)C1 96149658 USXSQPJALPPAPM-LLVKDONJSA-N 336.399 2.502 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)c(F)n12 91793753 GGXQMBKVYAALFH-CQSZACIVSA-N 341.390 2.531 0 50 EFAA O=C1CCCc2cc(C(=O)N3CC[C@](CO)(c4ccccc4)C3)ccc21 294694430 MWQFGRCUVWKGEZ-QFIPXVFZSA-N 349.430 2.982 0 50 EFAA Cc1ccc(NC(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cn1 96179977 LPMQTOFROJPKAW-AWEZNQCLSA-N 344.440 2.878 0 50 EFAA CCSc1ccc(NC(=O)NCCn2c(C)cc(C)nc2=O)cc1 96148397 FXPBQIOLEFEZKD-UHFFFAOYSA-N 346.456 2.794 0 50 EFAA CC(C)c1nnsc1C(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795065 QYVRQJPOKWSSME-GBIKHYSHSA-N 337.470 2.965 0 50 EFAA CCc1nc(C)c(CNC(=O)c2cc(C)n3nc(C)cc3n2)s1 534593361 OVAQESGYEGKGKU-UHFFFAOYSA-N 329.429 2.603 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)nc(O)n1 299785201 JPPHTZRHFOPRBV-INIZCTEOSA-N 341.411 2.674 0 50 EFAA Cc1cccc2oc(CNC(=O)CSCCN3CCCC3)nc12 299798650 UBTAKOXTIGTFEP-UHFFFAOYSA-N 333.457 2.581 0 50 EFAA O=c1c2c(C(F)(F)F)cccc2ncn1CCNc1cccnc1 584903763 FCJUNYBRDHFICZ-UHFFFAOYSA-N 334.301 2.922 0 50 EFAA C[C@H](c1ccon1)N(C)c1nc2nonc2nc1N1CCCCCC1 67946294 PDBLPDXZFGIEQV-LLVKDONJSA-N 343.391 2.579 0 50 EFAA CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)CSc1nncn1C 952968199 KBPYRPRGXBKDCB-AWEZNQCLSA-N 334.445 2.526 0 50 EFAA CCn1ccc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)cc1=O 952969378 NBEDSQWWLUJVKZ-ZDUSSCGKSA-N 339.395 2.636 0 50 EFAA Cc1occc1C(=O)NS(=O)(=O)C1CCC(C(F)(F)F)CC1 408475085 BKQAITDHSCDBNO-UHFFFAOYSA-N 339.335 2.769 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccn2C(C)C)o1 275483581 VSOGYLIDIZHTDN-AWEZNQCLSA-N 332.404 2.789 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 170616524 OHQFHNUPAPFXCQ-AWEZNQCLSA-N 339.399 2.673 0 50 EFAA Cc1cncc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CC2)c1 170603770 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EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(N(C)C)cc1)C2 216781808 SORRKNRPMUPETN-PBHICJAKSA-N 344.459 2.617 0 50 EFAA CC(=O)N1CCC[C@H](c2nnc3n2-c2cc(C)c(Cl)cc2OC3)C1 1772811709 XVUZFQAVNKRDSJ-LBPRGKRZSA-N 346.818 2.847 0 50 EFAA COc1nc(NC[C@H](c2cccnc2)N2CCCCC2)ncc1F 1772712847 RXULHIQVPDWZQS-OAHLLOKOSA-N 331.395 2.658 0 50 EFAA COc1cc2c(cc1-c1nccn1-c1cccc3c1nnn3C)OCO2 1775979473 IOPMJFPFFUXNIS-UHFFFAOYSA-N 349.350 2.558 0 50 EFAA O=C1NCCN(C(=O)c2cc(Cl)ccc2F)[C@H]1Cc1ccccc1 19720808 QWPJKRFEBLDMMY-INIZCTEOSA-N 346.789 2.662 0 50 EFAA Clc1ccc2c(c1)C=C(CN1CCC[C@@H](N3CCOCC3)C1)CO2 19837405 IBIAHXXQXDPZDT-GOSISDBHSA-N 348.874 2.912 0 50 EFAA O=C(Nc1ccc(Cl)cc1Cl)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669420 RZBVJFCXJWCHDG-ZUZCIYMTSA-N 345.226 2.856 0 50 EFAA CC1(C(=O)N2C[C@H](C(=O)O)C3(CCN(C4CCCCC4)CC3)C2)CC1 1857689391 CDXKPWMRUWYCEK-MRXNPFEDSA-N 348.487 2.744 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)nn1C(C)C 412349768 RPMVSRRLNAQAHN-LBPRGKRZSA-N 332.370 2.529 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 642295549 XRYOSCXCZWKKBO-QMMMGPOBSA-N 325.777 2.633 0 50 EFAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccccc2C(F)(F)F)C1 643756126 MCDRSJAEOAMWEI-MRXNPFEDSA-N 344.377 2.511 0 50 EFAA Cc1csc([C@@H]2CN([C@H]3CCc4ccccc4NC3=O)CCO2)n1 241586383 OVMVTDOGVOXHLL-HOTGVXAUSA-N 343.452 2.778 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 253395409 DLPQABWIXHBNDC-OTWHNJEPSA-N 329.440 2.956 0 50 EFAA COc1cccc(S(=O)(=O)N(C)c2cccc(CCC(=O)O)c2)c1 680020142 KNCHUCZLMLXQMS-UHFFFAOYSA-N 349.408 2.538 0 50 EFAA COc1ccccc1[C@H]1CN(C(=O)c2cc3ccccn3c2)CCN1 367078902 SJNAAVUJPFBDHA-GOSISDBHSA-N 335.407 2.735 0 50 EFAA Fc1ccccc1-c1nc(CN2CCNCCC23CCOCC3)co1 903818914 YCJFTHGQYCENQV-UHFFFAOYSA-N 345.418 2.825 0 50 EFAA CC1(C)CC(=O)c2sc(NC(=O)[C@H]3NCC34CCCC4)nc2C1 852785353 HNRXOFRVGUDERS-CYBMUJFWSA-N 333.457 2.769 0 50 EFAA CC(C)(C)OC(=O)CNC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 952878579 AXAGYEXKGHDCPN-OKILXGFUSA-N 333.432 2.510 0 50 EFAA CN(C)c1nccc([C@@H]2CN(Cc3cnc4ccccc4c3)CCO2)n1 952991814 JLYINEBMFHFTQH-IBGZPJMESA-N 349.438 2.664 0 50 EFAA O=C(c1ccccc1)N1CC[C@H](c2nnc(C3CCOCC3)o2)C1 1875279275 KXXQSTJMWQFEAD-HNNXBMFYSA-N 327.384 2.593 0 50 EFAA O=C(Nc1cnc2cccnn12)N1CC2(CCC2)[C@H]1C1CCOCC1 1875315616 BEXQSWZTRFDLGP-MRXNPFEDSA-N 341.415 2.542 0 50 EFAA C[C@H](NC(=O)[C@@]12CCC[C@@H]1CC(=O)CC2)c1ccc(N(C)C)nc1 1875330555 SNFSCTBZLKGXHF-ZBQZNYHESA-N 329.444 2.864 0 50 EFAA Cc1ncc(CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)s1 1775959283 SLYZVOQHPXFCRN-MRXNPFEDSA-N 332.473 2.561 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CCc3c[nH]nc3C2)C(C)(C)C1 1775984816 IPUPJEYHOZNNNF-ZFWWWQNUSA-N 334.464 2.502 0 50 EFAA Cc1[nH]nc(-c2nc(C3CCC3)no2)c1I 1775999865 ZCTPVVSGHCJUCW-UHFFFAOYSA-N 330.129 2.640 0 50 EFAA Cc1ccc(-c2cnc(CNC(=O)Cc3cn4c(n3)CCCC4)[nH]2)cc1 1776005334 CYNZOKFFYWZFAK-UHFFFAOYSA-N 349.438 2.777 0 50 EFAA CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1Cl 38534083 KAPXUZRLJJZKPJ-NSHDSACASA-N 325.840 2.534 0 50 EFAA in-vitro O=C(c1ccco1)N(Cc1ccco1)S(=O)(=O)c1cccs1 12293357 AGUKZBTXTRSPCC-UHFFFAOYSA-N 337.378 2.965 0 50 EFAA CCn1nc(C)cc1CN1CCc2[nH]c3ccc(C(=O)O)cc3c2C1 2325798317 LUACQSMPYFMDFK-UHFFFAOYSA-N 338.411 2.949 0 50 EFAA CC(C)Oc1nn(C)cc1Nc1ncnc2cc(C(=O)O)ccc12 2325839767 DMYCVRJPTQOPDW-UHFFFAOYSA-N 327.344 2.592 0 50 EFAA NC(=O)[C@@H](NC(=O)c1ocnc1C(F)F)c1ccc2ccccc2c1 2325874244 FOMCJEUUBATPTO-LBPRGKRZSA-N 345.305 2.722 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccnc(O[C@@H]2CCOC2)c1 248553684 HNIUXZWCZFHQBK-LVZMMCSGSA-N 342.439 2.804 0 50 EFAA CSc1ccc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)c1 39242 JQMNHQHNUWQNKK-UHFFFAOYSA-N 348.859 2.814 0 50 EFAA CCOC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1 146070 MAKHQHAOOCRARL-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(O)cc2)NC(=O)N1 234700 NQNYNEJQPQOXIM-KRWDZBQOSA-N 337.379 2.967 0 50 EFAA O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1 256569 LEJZBSRRMGQHIT-UHFFFAOYSA-N 327.403 2.977 0 50 EFAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl 306933 PAPYSBZXHVVDIF-LLVKDONJSA-N 330.240 2.532 0 50 EFAA O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1 1125611 YWDYHSIFEZAWGW-UHFFFAOYSA-N 338.429 2.900 0 50 EFAA CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1 2865949 QDWOCYKQFPDVOI-UHFFFAOYSA-N 342.505 2.587 0 50 EFAA COc1cc(Cl)cc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)c1 2356167797 CJTNHSGVXFJNEU-QGZVFWFLSA-N 336.819 2.576 0 50 EFAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)C(=O)c1ccccc1 4772828 RXSZYVLSKBOPLV-IXPVHAAZSA-N 342.222 2.895 0 50 EFAA CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 7602809 PVDPZRNVCMJIDS-UHFFFAOYSA-N 347.436 2.926 0 50 EFAA CN1CCC[C@H](CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 245504617 FCBLFNYADGHYEO-LMMKCTJWSA-N 345.487 2.795 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)nc1C 412384891 QAZQXUVZGRVVCT-VQIMIIECSA-N 328.387 2.639 0 50 EFAA CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ncc[nH]2)CC1 225671173 VJIVNLYSFJLLOD-HNNXBMFYSA-N 341.459 2.682 0 50 EFAA CSc1cccc(N(C(=O)[C@@H]2CCOC2)C2CCN(C)CC2)c1 112247666 GVNOIZLCDURLFF-CQSZACIVSA-N 334.485 2.872 0 50 EFAA C(=C/CN1CCO[C@H]2CCCC[C@H]21)\CN1CCO[C@@H]2CCCC[C@@H]21 249734503 CYIWQDIBEIQJRL-XTXBHCAZSA-N 334.504 2.829 0 50 EFAA CCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851055 WPSONEZOEDVREJ-CQSZACIVSA-N 331.243 2.893 0 50 EFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCN3CCCC3=O)[nH]c2c1 67991813 MPPKRPCINICXPC-INIZCTEOSA-N 340.427 2.547 0 50 EFAA Cc1cc(CN2CC[C@@H](CNC(=O)c3nccc4ccccc34)C2)n[nH]1 67817093 YRDRWVITPUQDJL-HNNXBMFYSA-N 349.438 2.518 0 50 EFAA Cc1nn(CCO)cc1CN1CCC[C@@H]1c1nc2c(C)cccc2[nH]1 67692503 STPDNEVLSZVWHN-QGZVFWFLSA-N 339.443 2.706 0 50 EFAA O=C(c1ccno1)N1CCC(n2cc(CC3CCCCC3)nn2)CC1 20781585 LPIWHTVFAVSLJW-UHFFFAOYSA-N 343.431 2.866 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)N1CCn2nc(C(=O)O)cc2C1 65507686 JKFBKYBIEXOVTM-UHFFFAOYSA-N 334.763 2.591 0 50 EFAA CO[C@@H](C)c1noc(CCC(=O)N(C)Cc2c(F)cccc2F)n1 358321382 KPZOKKGDXKVELX-JTQLQIEISA-N 339.342 2.646 0 50 EFAA C[C@@H]1C[C@@H](C(=O)OC[C@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 252511816 KYWIFURBQDDTNJ-RYRKJORJSA-N 345.439 2.897 0 50 EFAA CCc1noc(C)c1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 120959460 AZJAXIBQCZKSNB-OAHLLOKOSA-N 342.399 2.574 0 50 EFAA Cc1nnc(-c2ccccc2C(=O)N2CCC[C@H](N3CCCC3)C2)o1 125158516 BHZMPBPPCVSXAF-HNNXBMFYSA-N 340.427 2.745 0 50 EFAA NC(=O)[C@@H]1CCCN(c2ccc(N[C@H]3CCc4ccccc43)cn2)C1 253370661 UKUPEVQSNHWWQL-QAPCUYQASA-N 336.439 2.883 0 50 EFAA COC(=O)[C@H]1CN(Cc2cscn2)C[C@@H]1c1ccc(F)cc1F 328587344 FSBDFQJHIQNTGO-KGLIPLIRSA-N 338.379 2.810 0 50 EFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1nc2ccc(F)cc2s1 356239946 BEXINJFCNDGVNA-IUODEOHRSA-N 335.448 2.730 0 50 EFAA C=CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 328599432 RWHOVIDYTUCXHY-CYBMUJFWSA-N 326.318 2.612 0 50 EFAA CCC[C@H](C)N1CC2(CCN(Cc3cccnc3N)CC2)OC1=O 72410982 PTSQNYPGQSELID-AWEZNQCLSA-N 332.448 2.639 0 50 EFAA Oc1nccnc1N1CCC[C@H](NCc2cnc(C3CCC3)s2)C1 328655593 YNFFSJNTLGAANA-ZDUSSCGKSA-N 345.472 2.665 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cccc4[nH]ccc34)CCO2)o1 328613848 UKDHYXKMCHQFFU-OAHLLOKOSA-N 340.383 2.888 0 50 EFAA CCn1ccnc1CNC(=O)c1coc(COc2cccc(F)c2)n1 12304353 KGNCMYMCODEVAO-UHFFFAOYSA-N 344.346 2.539 0 50 EFAA Cc1nccc(CN2CCC[C@H](Nc3nc4ccccc4o3)C2=O)n1 363985935 LIBVFMAJWYTEFS-HNNXBMFYSA-N 337.383 2.529 0 50 EFAA C[C@@H](CCO)NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 155651500 OVCADUIBYYQMQE-CPCISQLKSA-N 326.265 2.638 0 50 EFAA Cc1nc(O)ccc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 156176710 MFXBKIQSCRSMIZ-UHFFFAOYSA-N 343.402 2.629 0 50 EFAA Cc1ccnc(N2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)c1 332401349 SXBJIMWMFHOKNH-UHFFFAOYSA-N 340.427 2.535 0 50 EFAA COc1cccc(C[C@@H](C)NC(=O)N2CCC[C@H]2c2noc(C)n2)c1 332815184 YQASYNCHSCHMDO-WBMJQRKESA-N 344.415 2.864 0 50 EFAA O=C(CCn1ccnn1)N1CCC[C@@]1(c1ccccc1)C(F)(F)F 372500194 DGOQURTZXCQQID-OAHLLOKOSA-N 338.333 2.748 0 50 EFAA Cc1cc(C)n(-c2cncc(N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)n2)n1 241644499 PRIBNTUFPLVYQL-IAOVAPTHSA-N 327.432 2.529 0 50 EFAA Cc1csc(N2CCC(NC[C@](C)(O)c3ccc(C)o3)CC2)n1 241719800 QPSKXRBYVMVPRO-KRWDZBQOSA-N 335.473 2.819 0 50 EFAA CC(C)N(C)c1ccc(CN2CCO[C@@H](c3nccs3)C2)cn1 241815969 SENWPQFYIAFUQO-OAHLLOKOSA-N 332.473 2.956 0 50 EFAA Cc1ccc2nc(CN[C@H](c3nccn3C)C3CCOCC3)cn2c1 284663005 HCBWHDPBAAWLNZ-SFHVURJKSA-N 339.443 2.634 0 50 EFAA Cc1nn(CCC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c(C)c1C 220323979 FAVQQZGCFIMYPX-HNNXBMFYSA-N 343.431 2.823 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nccn4C)C3)cc2c1 82092607 QKEPUSGJTYIFEU-CYBMUJFWSA-N 338.411 2.930 0 50 EFAA FC(F)(F)CN1CC[C@H](c2nc(-c3nccc4[nH]ccc34)no2)C1 289027403 FZAPLCKPNWRJCA-VIFPVBQESA-N 337.305 2.965 0 50 EFAA Cc1ccc(CCCNC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)cc1 426589832 VOSAMYUXPGFQAV-MSOLQXFVSA-N 343.471 2.580 0 50 EFAA Nc1nc(Cl)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1 43534432 ANYIRPAKXFISPI-QPJJXVBHSA-N 329.835 2.548 0 50 EFAA CCc1cc2c(=O)n(Cc3nc4ccc(OC)cc4[nH]3)cnc2s1 42628385 PFXPBXWSPAZXEL-UHFFFAOYSA-N 340.408 2.954 0 50 EFAA CN(C)[C@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1 95385360 GHFOUWFZPLJAEN-SFHVURJKSA-N 333.451 2.515 0 50 EFAA CC(=O)N1CCC[C@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)C1 95508594 LVLLVKMBLGEPLL-INIZCTEOSA-N 339.439 2.901 0 50 EFAA O=C(O)[C@@]12CN(Cc3ccc(Cl)o3)C[C@@H]1CN(C1CCCC1)C2 96136016 JNUDRBQSMHWDHW-SJKOYZFVSA-N 338.835 2.694 0 50 EFAA C[C@H]1CN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CCN1 237757069 HCMUUXZXZMIANO-AWEZNQCLSA-N 332.407 2.731 0 50 EFAA Cc1nc(CCNC(=O)c2ccc3ccn(C)c3c2)nc2c1CCC2 95502617 LDTRESGRZGLVCX-UHFFFAOYSA-N 334.423 2.738 0 50 EFAA Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)C(F)(F)C(F)F)o1 267232944 GYOZKTGTXLDDAI-LLVKDONJSA-N 343.280 2.904 0 50 EFAA C[C@H](CO)N(C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 180670651 ICBXGZIUZIDQIZ-SNVBAGLBSA-N 326.368 2.626 0 50 EFAA O=C(C1CCOCC1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91486946 AUQGZHNZZHGBSP-FQEVSTJZSA-N 348.487 2.587 0 50 EFAA CCc1nnc(CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)o1 91381741 QWYDLVUWWPOTCV-UHFFFAOYSA-N 346.475 2.779 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@@H]3CCOc4ccccc4C3)nc2c1 97784718 FOJYIFWKCBKXRP-MRXNPFEDSA-N 335.407 2.900 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)c1cnc(-c2cccnc2)nc1 95366851 JDFSHEFKCRPTAN-UHFFFAOYSA-N 349.394 2.678 0 50 EFAA CC(=O)c1cc(CC(=O)N[C@@H](C)c2nc(CC(C)C)no2)cs1 97742772 VNKCWIZKFWZXJW-JTQLQIEISA-N 335.429 2.952 0 50 EFAA OC[C@H]1CN(Cc2c(F)ccc(F)c2Cl)C[C@H]1CN1CCCC1 91915150 DPQKZTHIZVOTJE-CHWSQXEVSA-N 344.833 2.754 0 50 EFAA CN(C)C(=O)N1CCC[C@@H](C(=O)NCc2csc3c2CCCC3)C1 97499467 IBMGHXIXNFVRKC-CYBMUJFWSA-N 349.500 2.637 0 50 EFAA CN(CC(=O)Nc1ccn(C)n1)Cc1ccccc1C(F)(F)F 240203778 JTCQFVYWDXXGCD-UHFFFAOYSA-N 326.322 2.509 0 50 EFAA O=C(NC[C@H]1CC=CCC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 181524659 MMHMQCFGAGPTGJ-ZFWWWQNUSA-N 329.448 2.927 0 50 EFAA Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c(C)n1 182389704 LFBXALVDGZWMRR-AWEZNQCLSA-N 330.819 2.756 0 50 EFAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O 183405869 SHZGUQXTIVVTGS-STQMWFEESA-N 346.456 2.532 0 50 EFAA CNc1nc(NCCCn2nccc2C2CC2)cc([C@@H]2CCOC2)n1 299784272 LOGXWKFDYIZZAG-CQSZACIVSA-N 342.447 2.598 0 50 EFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(-c2ccco2)cc1 299784481 OOPXEVDIMZWTBV-QGZVFWFLSA-N 343.427 2.915 0 50 EFAA OCc1ccc2c(c1)CN(Cc1ccc(-c3cc[nH]n3)o1)CCO2 828827030 PLBJWFSDHPFNKX-UHFFFAOYSA-N 325.368 2.557 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)Cc1ccc(C)c(F)c1 823819601 ASTYIFQHSQWRFH-UHFFFAOYSA-N 328.387 2.994 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)NC1(C(N)=O)CCCC1 584896099 DCXYTCLLKWSEQO-AWEZNQCLSA-N 345.443 2.695 0 50 EFAA CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC1 79804 XAXMGOGSARFMQN-UHFFFAOYSA-N 334.235 2.632 0 50 EFAA Cc1ccc(-c2nc(-c3cn4ccsc4n3)n(CCCO)n2)o1 670462250 DXHHEZSXFQUXBS-UHFFFAOYSA-N 329.385 2.605 0 50 EFAA CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 1423767219 GOIFZWGHAHYBEX-DZGCQCFKSA-N 329.487 2.510 0 50 EFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)/C=C/c1cc(CO)cs1 952970702 LOJZEQCSLBPWAY-KIUWMYQTSA-N 342.464 2.991 0 50 EFAA COc1cc(CC(=O)N2CCC(c3cc(C)n[nH]3)CC2)ccc1C 272081374 JKBNZCCOTVQRSU-UHFFFAOYSA-N 327.428 2.984 0 50 EFAA O=C1[C@H](NCc2ccc(Br)o2)CCN1Cc1ccccc1 276953909 KMHXONDYZKHVLK-CQSZACIVSA-N 349.228 2.933 0 50 EFAA Cc1[nH]c2ccc(C(=O)N3CCN(c4cccnn4)CC3)cc2c1C 170631923 LOHITUWEXDZYGP-UHFFFAOYSA-N 335.411 2.537 0 50 EFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 170613760 CZJPIHDQTUHOCC-HNNXBMFYSA-N 349.346 2.564 0 50 EFAA C[C@@H](O)CN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 170601805 BRWQRFXVFVNRJT-IAGOWNOFSA-N 346.515 2.830 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)CC3OCCCO3)[C@@H](C)CO2)c1 189133860 QXFIBCGLBAKMQJ-RDJZCZTQSA-N 333.428 2.745 0 50 EFAA C[C@@H](c1nnnn1C)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 189262917 HIZKBENTXXETNC-NSHDSACASA-N 328.395 2.771 0 50 EFAA CC1(C)CN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1 683980368 YJIBUTWYWWQUPO-UHFFFAOYSA-N 338.411 2.885 0 50 EFAA CN(C)c1ncnc2c1ncn2CC(=O)c1csc2ccccc12 194534853 IPPXCLPNPDXHHF-UHFFFAOYSA-N 337.408 2.990 0 50 EFAA Cc1cnc(Cl)c2c(I)cn(CCN)c12 1501018255 OTAFAQHHHXCHEW-UHFFFAOYSA-N 335.576 2.561 0 50 EFAA Cc1ncc(CN(CCO)C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 1704313922 SIZRJQZKDNPRRL-LJQANCHMSA-N 345.418 2.546 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2ccccc2CN(C)C)CCC1=O 1775977972 MFWJWERZUPUSRZ-KRWDZBQOSA-N 331.504 2.827 0 50 EFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nccs1 5388511 LNCIMTYQLOQUQK-UHFFFAOYSA-N 346.799 2.659 0 50 EFAA C/C=C(\C)CNCc1cccnc1N1CCN(c2ccccn2)CC1 12387310 PVLSBMRJCAVJQA-IJUHEHPCSA-N 337.471 2.859 0 50 EFAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccc(F)cc1 169778664 UNXLKNAGPKQCNJ-UHFFFAOYSA-N 347.353 2.860 0 50 EFAA CCn1ccc(COc2ccc3c(c2)CCOC32CCNCC2)n1 1857670166 XSPIFBCDYPLPLQ-UHFFFAOYSA-N 327.428 2.633 0 50 EFAA CCn1nc(C)c(CN(CCOC)Cc2cccc3ccnn23)c1C 1857678178 CSKOCTSMUPBILT-UHFFFAOYSA-N 341.459 2.816 0 50 EFAA OCCOc1ccc(-c2nccn2[C@H](CO)c2ccc(F)cc2)cc1 1857728783 CZTCZQLAETZXFB-GOSISDBHSA-N 342.370 2.642 0 50 EFAA CCn1nncc1C(=O)N1CCCN(c2cccc(Cl)c2C)CC1 329184938 PICKWWPVDMYPKP-UHFFFAOYSA-N 347.850 2.612 0 50 EFAA CCn1nnc(C)c1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 449250794 PXKUPIMNFHDZOZ-MRXNPFEDSA-N 338.814 2.972 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCC[C@@H](C[C@H]2CCOC2)C1 369839303 DLYIISRIMXDISN-JKSUJKDBSA-N 327.428 2.702 0 50 EFAA CSCC[C@H](N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 158196655 UVRQWRTVZLKQSF-MELADBBJSA-N 346.855 2.506 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@](F)(CO)C1 376565548 NKQKNXXYHYMSKG-GOSISDBHSA-N 330.359 2.811 0 50 EFAA O=C(NCc1nnc2ccccn12)N[C@@H]1CCCc2sccc21 162641230 DBDZWGCLLXJMHF-GFCCVEGCSA-N 327.413 2.668 0 50 EFAA CC(C)N(CC(F)(F)F)S(=O)(=O)c1cnn(C2CCC2)c1 903632251 MXLPPARXJAXAIV-UHFFFAOYSA-N 325.356 2.570 0 50 EFAA C[C@@H]1CN(C(=O)COCc2ccccn2)c2cc(F)c(F)cc2O1 906235033 ZLFWYBLAGSTPRE-LLVKDONJSA-N 334.322 2.691 0 50 EFAA CC(C)Cn1ccc2cc(NC(=O)Cn3ccc(C(=O)O)n3)ccc21 908762516 HAZJYGXSQLULMW-UHFFFAOYSA-N 340.383 2.831 0 50 EFAA Cc1cc(C)n(CCCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1 826801050 KMQWXPAJRBPVNE-UHFFFAOYSA-N 343.475 2.625 0 50 EFAA Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)CC(C)(C)O3)C2 843764665 SMRZCZDJAVGVAZ-INIZCTEOSA-N 337.423 2.786 0 50 EFAA Cn1nc(O)cc1C(=O)N[C@@H](c1ccccc1)C(F)(F)C(F)(F)F 1875313287 OFHURKVDWHWETD-NSHDSACASA-N 349.259 2.794 0 50 EFAA C[C@]1(NC(=O)c2csc(Cc3ccc(F)cc3)n2)CCC[C@H]1O 1875320002 CFGPKQGIQWVQOD-PBHICJAKSA-N 334.416 2.906 0 50 EFAA CC(C)c1cccc(Cn2cc(C[C@@]3(C(=O)O)CCCO3)nn2)c1 1875313049 GLNXHFBLEGILRB-GOSISDBHSA-N 329.400 2.626 0 50 EFAA CCc1ncnc(NC[C@@H]2CCCO[C@H]2c2cnn(CC)c2)c1F 886088722 QGKDPRBBTGSZRS-BLLLJJGKSA-N 333.411 2.974 0 50 EFAA Cc1cc(C(=O)NO[C@@H]2CCCCO2)cc(NCC(F)(F)F)n1 888098097 DPYGYXYRSTWKLQ-GFCCVEGCSA-N 333.310 2.552 0 50 EFAA CCc1cnc(O)c(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)c1 890190006 MCNUENXOFLUCCU-CQSZACIVSA-N 325.412 2.701 0 50 EFAA Cc1oc(C(C)(C)C)cc1CN[C@@H]1CCN(c2cnn(C)c2)C1=O 892983764 WGEASSPSAGCKHY-OAHLLOKOSA-N 330.432 2.514 0 50 EFAA Cn1cnc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1 893190106 VUPDBAMXTYOUPO-ZDUSSCGKSA-N 347.850 2.542 0 50 EFAA O=C(N[C@H]1C[C@H](Cn2cncn2)C1)c1ccc(Oc2cccnc2)cc1 1775996881 LOFPZASTYQXSRB-KOMQPUFPSA-N 349.394 2.674 0 50 EFAA Cc1cnc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)[nH]1 1775989386 NAFSEKNFGAIBNE-CQSZACIVSA-N 332.473 2.666 0 50 EFAA CCc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2F)n(C)n1 1775991966 QIBRNHYESHJLHJ-UHFFFAOYSA-N 335.763 2.715 0 50 EFAA CC(C)NC(=O)CNC(=O)Nc1cccc2nc(C(F)F)sc12 1775990518 MQJQWCGILPQNRP-UHFFFAOYSA-N 342.371 2.880 0 50 EFAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)o1 379622503 WMWYREKJSGPOMR-OAHLLOKOSA-N 342.395 2.762 0 50 EFAA CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1 68843 FWMGELLUKRJQIR-MRXNPFEDSA-N 332.400 2.912 0 50 EFAA Cn1ncc(NC(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)c1C1CC1 2325748994 HUEASGWWMAKXMF-YEWDVWPNSA-N 330.432 2.720 0 50 EFAA CN(Cc1ccc2c(c1)C(=O)NCCO2)Cc1cccc2cc[nH]c12 2325808757 NURAGVJFXQNOKJ-UHFFFAOYSA-N 335.407 2.922 0 50 EFAA c1ccc2c([C@H]3CN(Cc4cnn5c4CNCC5)CCO3)cccc2c1 2325813139 PIRSHEZNWMTUBD-OAQYLSRUSA-N 348.450 2.713 0 50 EFAA Cc1cccc2c(C(=O)N3CCN(C)[C@@H](Cc4ccccc4)C3)n[nH]c12 2325857712 MOEBPBYMJMAGOT-KRWDZBQOSA-N 348.450 2.870 0 50 EFAA CCc1cc(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)cc(Cl)n1 936019003 NQSHBCVJJNQEBS-CJNGLKHVSA-N 332.787 2.522 0 50 EFAA C[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 110646582 WMGZWSJMMNZATI-RDTXWAMCSA-N 335.407 2.885 0 50 EFAA Cc1cc(=O)oc2cc(NC(=S)N3C[C@@H](C)O[C@H](C)C3)ccc12 610049 WELWMTAHJIYHKP-VXGBXAGGSA-N 332.425 2.907 0 50 EFAA Cc1cc(C)c2c(=NC(=O)CCc3cc(Cl)no3)[nH]sc2n1 2356165864 IQUIVOXKCSTXBI-UHFFFAOYSA-N 336.804 2.943 0 50 EFAA COc1ccc(-c2n[nH]c(SCC(=O)N3CCCCC3)n2)cc1 4385352 VSXWHJAFXYLWDF-UHFFFAOYSA-N 332.429 2.585 0 50 EFAA CCOc1ccc(CCNc2cc(C)nn3cnnc23)cc1OCC 4511276 NNNRZHNZYFRLGF-UHFFFAOYSA-N 341.415 2.885 0 50 EFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)CC(=O)N1 4520730 UBSJLIVECGMYLU-TZMCWYRMSA-N 349.814 2.940 0 50 EFAA Cn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(F)c1 4736283 ZHRSQBNFXWWZRJ-UHFFFAOYSA-N 349.416 2.809 0 50 EFAA CCS[C@@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 225549146 ZYZIZNPHNYGVEY-UONOGXRCSA-N 346.518 2.684 0 50 EFAA COc1ccc(Br)cc1C(=O)Nc1ccc(C(N)=O)cc1 9695711 HZFNQDFKCRUGHN-UHFFFAOYSA-N 349.184 2.809 0 50 EFAA CC(C)CCN1CCN(Cc2ccc(O)c(Cl)c2)C[C@H]1CCO 104398719 SAFZURIKTCCTEC-MRXNPFEDSA-N 340.895 2.960 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCCN2C 55211880 WOITVWIBQBANJO-HNNXBMFYSA-N 344.411 2.522 0 50 EFAA CCC[C@@H](C)c1nnc(NC(=O)c2cc(OC)nc(OC)n2)s1 55053202 RKRRBHFFNDANPQ-MRVPVSSYSA-N 337.405 2.501 0 50 EFAA CCc1ccc(CN2CCC(Cn3cc([C@H](C)O)nn3)CC2)s1 20601425 HDUUGAMOQIYLLV-ZDUSSCGKSA-N 334.489 2.868 0 50 EFAA CCc1nc(C)c(C(=O)NCCCn2nnc3ccccc32)s1 65435756 IIIPOWOCPOFAOR-UHFFFAOYSA-N 329.429 2.579 0 50 EFAA Cc1ccc(C)c(-n2ncc(C(=O)N3CC[C@@H](O)C[C@H]3C)c2C)c1 346724026 OGGLXKDPQIGTEY-GDBMZVCRSA-N 327.428 2.783 0 50 EFAA O=C(c1ccc(COc2ccccc2)cc1)N1C[C@@H](F)C[C@H]1CO 347407464 KVIMKICMIBEBHK-IRXDYDNUSA-N 329.371 2.811 0 50 EFAA Cn1cc(-c2cc(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)on2)cn1 249001108 MZIYYOPIOIVPCF-RHSMWYFYSA-N 342.399 2.756 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1F 348237932 DMEMOXQYBOGEFK-DZGCQCFKSA-N 333.334 2.922 0 50 EFAA Cc1cc(C)c(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)c(=O)[nH]1 67725861 ZRFBPZHBTGGFSW-UHFFFAOYSA-N 327.359 2.884 0 50 EFAA O=C1C[C@H](c2cccc(-n3cccn3)c2)c2c(nc3sccn23)CN1 65431262 IBHCQLJNQZTMPO-CQSZACIVSA-N 349.419 2.733 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC1CCN(Cc2ccncc2)CC1 252486152 FUGFSUHVSPCRAL-IECBHUPTSA-N 349.544 2.715 0 50 EFAA O=C(CCCCN1CCOCC1)N[C@@H]1CCc2c(Cl)cccc21 171764330 AVQWYKWJDBIDDU-QGZVFWFLSA-N 336.863 2.946 0 50 EFAA Cc1ccncc1C1=CCN(C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 366956602 VCHFNDVWEPNACC-MRXNPFEDSA-N 336.439 2.859 0 50 EFAA O=C(NCCCc1ncc[nH]1)[C@H]1CCCCN1Cc1ccccc1 219264064 NZKRMTNKMYLXLU-QGZVFWFLSA-N 326.444 2.513 0 50 EFAA CC[C@@H]1C(=O)NCCN1C(=O)Cc1coc2cc(C)c(Cl)cc12 215967063 VIHMQHBIEGGVAZ-CQSZACIVSA-N 334.803 2.674 0 50 EFAA CCOc1cccc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c1 6351588 KAWVZWJWZJFICX-AWEZNQCLSA-N 334.269 2.506 0 50 EFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)CC(C)(C)O2 219576097 YBIQPPQESAVEAX-OAHLLOKOSA-N 346.427 2.637 0 50 EFAA CCc1nsc(N2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)n1 328645955 ZVXYTSRKGNFDPD-GFCCVEGCSA-N 333.461 2.530 0 50 EFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 72478444 ZPFHKQFFHZPSDY-QGZVFWFLSA-N 343.402 2.822 0 50 EFAA C[C@@H]1CN(C)CCN1CC(=O)N[C@H](c1ccccc1)C1CCCC1 230079300 GSPKUHGNQFXDDG-OXQOHEQNSA-N 329.488 2.670 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)Cc2c[nH]c3ccccc23)n1 152214787 FWBGTRGFXKOZTN-UHFFFAOYSA-N 346.394 2.942 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1F 281724755 BQKMAEROIZARKG-NVXWUHKLSA-N 347.361 2.850 0 50 EFAA COC(=O)[C@@H]1CCc2nnc(-c3cccc(C(F)(F)F)c3)n2C1 260072727 BQQPGXTZXWBABA-SNVBAGLBSA-N 325.290 2.699 0 50 EFAA CN(C)CCOc1cc(CNC(=O)/C=C/C2CCCCC2)ccn1 124020855 PGOMRGIAHNINQV-CMDGGOBGSA-N 331.460 2.775 0 50 EFAA CN(C)C[C@]1(O)CCCN(C(=O)CCCCc2ccccc2)CC1 72151281 PTQVTPMEDRTSLQ-FQEVSTJZSA-N 332.488 2.705 0 50 EFAA C[C@](CO)(NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 331318282 DMOYUGHOELRZMA-OAHLLOKOSA-N 331.503 2.573 0 50 EFAA CC(C)(C)c1nc(CN2CCC[C@]3(C2)C(=O)Nc2ccccc23)no1 72146426 JVBQVAPWOWCUFF-LJQANCHMSA-N 340.427 2.853 0 50 EFAA Cc1nc2c(c(NC[C@H]3CCc4ccccc4O3)n1)CCN(C)CC2 72479032 KPLWCWOZSPATGT-MRXNPFEDSA-N 338.455 2.621 0 50 EFAA CN(C)C(=O)c1cccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 374896466 OIONLKIYXCQRGO-FQEVSTJZSA-N 342.414 2.621 0 50 EFAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccnc(C(=O)O)c1)CCC2 262835903 RNKTWKCFRSWYKF-CYBMUJFWSA-N 345.424 2.948 0 50 EFAA Cc1ccnc(CNC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)c1 452150276 NOFQOYSKFFHSOQ-MRXNPFEDSA-N 347.422 2.527 0 50 EFAA CC1(C)CC(=O)c2cc(C(=O)NC3CCCCCC3)c(=O)[nH]c2C1 71384927 PKNUZIRRDBOQCR-UHFFFAOYSA-N 330.428 2.983 0 50 EFAA COc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)cc1F 284689711 JAHKRBBZJDEGOO-KRWDZBQOSA-N 333.407 2.825 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2coc3cc(C)c(C)cc23)C1 285631941 DZFMKFRRWXBEQE-DOMZBBRYSA-N 340.383 2.770 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1nc2ccccn2c1F 222880233 IBNOJIABLKFBDG-CRNXPOROSA-N 343.402 2.797 0 50 EFAA O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccoc1C1CC1 242302072 YPHVWFDQBHHXSO-SJORKVTESA-N 340.423 2.522 0 50 EFAA COc1ccc(CNC(=O)C2(Cc3ccc(F)cc3)CC2)c(OC)n1 291262531 QXRHITMWOZCSHJ-UHFFFAOYSA-N 344.386 2.877 0 50 EFAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(Cl)ccc1C)C2 221243809 GRNNTUKMQWSZPJ-INIZCTEOSA-N 333.819 2.944 0 50 EFAA O=C(NCc1cccc2[nH]ccc12)C1(N2CCOCC2)CCCCC1 223741027 MFIDAKHYWYVJAE-UHFFFAOYSA-N 341.455 2.819 0 50 EFAA C[C@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)COC2)C(N)=O 225753653 OJAHFOYZNIJOTF-NSHDSACASA-N 342.420 2.935 0 50 EFAA O[C@H](c1cc2n(n1)CCN(CCSc1ccccc1)C2)C1CC1 223473723 JWSOIPWRPFWWAD-SFHVURJKSA-N 329.469 2.934 0 50 EFAA O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 95530613 WTFVFGLAPPURHG-CQSZACIVSA-N 342.399 2.558 0 50 EFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cn2ccsc2n1 91425315 NKNADUYODXOWOP-HNNXBMFYSA-N 340.452 2.963 0 50 EFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CN(C)C)o1)C2 91713189 PWTNHCYUUVYDKK-IAGOWNOFSA-N 345.487 2.844 0 50 EFAA Cn1cnnc1Sc1ccc(CN2CCC[C@]3(CCOC3)C2)o1 95371271 BMJBQMZMKIYUET-INIZCTEOSA-N 334.445 2.562 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)Nc1cnns1)CC(C)(C)O2 96135926 PTSZQMIXZHSWAO-LLVKDONJSA-N 334.401 2.971 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 95384108 PYCLUIDUKBKXPT-GOSISDBHSA-N 348.406 2.734 0 50 EFAA CCc1n[nH]c(C(=O)N(CCCO)Cc2ccc(Cl)cc2)c1C 97499460 LXPLKTIXWFVPTB-UHFFFAOYSA-N 335.835 2.959 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 91907637 RPLJJVRSANESHM-HNNXBMFYSA-N 334.464 2.751 0 50 EFAA CCc1ccccc1OC1CN(C(=O)c2c(Cl)c(C)nn2C)C1 95388542 YLOKVRZKQHANGC-UHFFFAOYSA-N 333.819 2.848 0 50 EFAA Cc1nc(CC2CCN(C[C@@H]3CC(c4ccccc4)=NO3)CC2)no1 243902091 BFVGMAXTSVNMGV-KRWDZBQOSA-N 340.427 2.826 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 247753156 VROOGVKTXGHINK-INMHGKMJSA-N 335.419 2.994 0 50 EFAA O=C(O)c1ccc(CN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 252508426 XNGRIQXNEXRYEP-UHFFFAOYSA-N 346.377 2.981 0 50 EFAA Cc1ccc(-c2nc(CC(=O)N3CCc4[nH]ncc4C3)cs2)o1 299331706 YHVFCMBVGXMKPS-UHFFFAOYSA-N 328.397 2.562 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 299743899 PYLUTHKXMBPKMD-ATIWLJMLSA-N 348.487 2.885 0 50 EFAA CCCc1nc(CNC(=O)N2CC[C@@](O)(c3ccccc3)C2)cs1 534644100 PVTXQPJHJBIFQG-SFHVURJKSA-N 345.468 2.899 0 50 EFAA CCCCN1CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 534663268 HVRRIYALRGFZKY-HNNXBMFYSA-N 349.475 2.892 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3ncoc3C(C)C)cc2C1 299800357 VYSYTPOYLIOLST-UHFFFAOYSA-N 345.447 2.540 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)C1(c3ccc(C)cc3)CC1)CC2 299800022 UOIPIXDIFAVEIP-FUHIMQAGSA-N 329.440 2.558 0 50 EFAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc2ccccc2s1 824466044 DIWATPWRQDSWAD-LLVKDONJSA-N 330.413 2.630 0 50 EFAA CNC(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2nccs2)o1 584885130 KPQPGPSXSHSXHR-LBPRGKRZSA-N 348.428 2.533 0 50 EFAA NC(=O)C1(NC(=O)CCCOCc2ccccc2)CCCCCC1 670444725 SPHMMDXWJMMIAD-UHFFFAOYSA-N 332.444 2.678 0 50 EFAA CCCN(C(=O)c1ccccc1N1CCOCC1)[C@@H]1CCCC[C@H]1O 952965742 TXURKKAMCJGCOM-RTBURBONSA-N 346.471 2.679 0 50 EFAA CCN1CCC(N(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 1475956598 FUOBKHOGWVYSQT-UHFFFAOYSA-N 346.475 2.645 0 50 EFAA CCCOc1ccc(CNC(=O)/C=C/CN(C)C)c(OC(F)F)c1 268522088 GBOMBNFVKQMHSO-AATRIKPKSA-N 342.386 2.811 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCc2ccc(OC)cc21 277704209 QUZFYOZPHBQPLH-GDBMZVCRSA-N 340.427 2.530 0 50 EFAA C[C@H](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCCNC1 170039409 UKXHAFXBCCVVKY-HUUCEWRRSA-N 329.444 2.778 0 50 EFAA C[C@H](Nc1ccc(N2CCOCC2)nc1)c1ccc([S@@](C)=O)cc1 170592800 HCPLHWUHWZKTGM-LFPIHBKWSA-N 345.468 2.829 0 50 EFAA NC(=O)C[C@H](NC(=O)c1ccc2nc(S)oc2c1)C1CCCCC1 170650322 GYXQTTUJIAZBAD-ZDUSSCGKSA-N 347.440 2.671 0 50 EFAA CC(C)n1ncnc1CN1CC[C@@H](C)N(Cc2ccccc2)CC1 279921058 GAODRLFCGRRXOH-QGZVFWFLSA-N 327.476 2.955 0 50 EFAA O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NCc1ccccc1 55060277 NJCAKELJHNGMBR-UHFFFAOYSA-N 343.858 2.778 0 50 EFAA CO[C@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@H]1OC 752978879 GOIUJEXNUJDLTR-CALCHBBNSA-N 336.395 2.542 0 50 EFAA Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC[C@H]1CCCC(=O)N1 684606370 STONNGTUUPPVJO-CYBMUJFWSA-N 347.802 2.702 0 50 EFAA COCc1csc(NC(=O)NCCc2ccc(F)c(F)c2)n1 191468544 ZLEVUOZMBRBSCB-UHFFFAOYSA-N 327.356 2.932 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H](n2cncn2)C1 191582331 QYSQSLOSSWSVRP-QGZVFWFLSA-N 325.416 2.702 0 50 EFAA Cc1ccccc1-c1csc(=O)n1Cc1nnn(C(C)(C)C)n1 655668992 KWQLWYBAKPPJDI-UHFFFAOYSA-N 329.429 2.675 0 50 EFAA CN(Cc1ncc[nH]1)C(=O)CCc1nnc(CCC2CCCCC2)o1 11816642 MGIBVRNMDMFBDK-UHFFFAOYSA-N 345.447 2.897 0 50 EFAA CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1 12382814 YMTKVZMMJMBFMF-UHFFFAOYSA-N 329.425 2.673 0 50 EFAA Cc1ccn(-c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)n1 12463170 KTAFSCILAPJFID-JKSUJKDBSA-N 325.368 2.786 0 50 EFAA Cn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccncc1 13945036 MDPNVLJURFPTGD-UHFFFAOYSA-N 339.424 2.998 0 50 EFAA Cc1ccc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 15913401 REODZFWGFASLCE-UHFFFAOYSA-N 325.397 2.906 0 50 EFAA Cc1cc2nnc(SCCN3CCOCC3)n2c2c(C)cccc12 19820854 IWCLCRUSNCOVST-UHFFFAOYSA-N 342.468 2.924 0 50 EFAA COc1c(Cl)cc(Cl)cc1-c1nccn1[C@H]1CN[C@H](CO)C1 1857716159 ZCHQMPSHQCBCHR-WDEREUQCSA-N 342.226 2.761 0 50 EFAA O=C(O)c1cc(I)ccc1Br 2149845 QPKKBDSNZFSSOD-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro CCCc1cc(=O)oc2cc(OCc3nc(N(C)C)no3)ccc12 225393714 XFYSVUAGEHNSHI-UHFFFAOYSA-N 329.356 2.774 0 50 EFAA Cc1ccccc1-c1cnc(NC(=O)N[C@H](C)c2nnnn2C)s1 225402437 FTKSKSNQSKLGDG-SNVBAGLBSA-N 343.416 2.525 0 50 EFAA C[C@@H](c1ncc(Br)cn1)N1CC[C@@H](Oc2ccccn2)C1 331405529 BQBTWCMYJYNQOQ-WCQYABFASA-N 349.232 2.848 0 50 EFAA C[C@@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1nc(C2CCCC2)no1 237541828 BSDQBMCHQKZURN-IKKMQULASA-N 332.448 2.825 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)NC2(c3noc(C)n3)CCCC2)n1 337144439 WLCUTJQZVZXRQY-ZDUSSCGKSA-N 331.420 2.728 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccncc2Cl)c1 337513871 OBKHBTFDRNTYAH-MLGOLLRUSA-N 332.787 2.692 0 50 EFAA CCCc1nnc(N2C[C@@H]3COc4ccccc4C[C@]3(CO)C2)s1 248205011 ZJLWWGLTJBPMIW-RDTXWAMCSA-N 345.468 2.541 0 50 EFAA C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CC(C)(C)c2ccccc21 248701912 GKYGXKLOCMBVID-ZQIUZPCESA-N 332.444 2.590 0 50 EFAA O=C(CN1CCCC1=O)NCc1cnc(-c2ccc(Cl)cc2)s1 253416762 VARNNNYJYDCMKE-UHFFFAOYSA-N 349.843 2.702 0 50 EFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@H](N)C1 157857386 QTKAMBKFDRWCJH-LBPRGKRZSA-N 341.249 2.800 0 50 EFAA CC(C)C(=O)Nc1nc(CC(=O)Nc2noc3c2CCCC3)cs1 900776225 LNTUQOZKFRCDRO-UHFFFAOYSA-N 348.428 2.786 0 50 EFAA CCc1noc(COCC(=O)N2CCCc3cccc(Cl)c32)n1 903052430 NFXPUBBIXNDOIK-UHFFFAOYSA-N 335.791 2.781 0 50 EFAA O[C@@H](CN[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cn1 819197402 JCHITTRFYVODET-KDOFPFPSSA-N 333.382 2.652 0 50 EFAA O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCC2(CCOCC2)CC1 930374337 SOQIJMKIUXXIGY-QGZVFWFLSA-N 344.455 2.800 0 50 EFAA Cn1cc(-c2ccc(CN3CCNC(=O)c4ccccc43)cc2)cn1 952846144 INFLDYVYJUUDIX-UHFFFAOYSA-N 332.407 2.837 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCC[C@H](CN=S(C)(C)=O)C1 952992952 GRXLHTSKXLMOOH-CQSZACIVSA-N 338.473 2.583 0 50 EFAA O=c1c2nc(-c3ccccc3)c(-c3ccccc3)nc2nc2[nH]ncn12 1875321028 RKVGQOUFFSGBLT-UHFFFAOYSA-N 340.346 2.695 0 50 EFAA O=C(O)CC1CC(NC(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320157 IZYOPRNZBASOOB-UHFFFAOYSA-N 342.317 2.961 0 50 EFAA Cn1cc(Br)c(=O)c(C(=O)NC2CCCCCC2)c1 1775993681 VLIDPVFVTWDEOV-UHFFFAOYSA-N 327.222 2.600 0 50 EFAA Cc1ccc(OCCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc1C 1775961109 WFZPBANWTIEYRP-AWEZNQCLSA-N 328.416 2.511 0 50 EFAA C[C@@H](NC1CCN(CCNC(=O)OC(C)(C)C)CC1)c1ccccn1 892430602 GRXCKECZHZADFS-OAHLLOKOSA-N 348.491 2.721 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)c1ncoc1[C@H]1CCCCN1 2325800710 CNGPXNHATXHPPV-MRXNPFEDSA-N 338.411 2.943 0 50 EFAA CC(C)(CN1CC(N2CCC(CCO)CC2)C1)OCc1ccccc1 2325808204 FORRVFSXFCFANB-UHFFFAOYSA-N 346.515 2.760 0 50 EFAA CC1CCC(CCn2nnnc2N2C[C@@H]3[C@H](C2)CC3(F)F)CC1 2325860946 ZVZYIJXFCFCBPU-CLRIEMFWSA-N 325.407 2.981 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 178624 IRDYVJWITNABMN-UHFFFAOYSA-N 330.453 2.814 0 50 EFAA NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 184433 DLNCJIDHGFMAMX-IYSWYEEDSA-N 334.685 2.889 0 50 EFAA Cc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)n3)C2=O)cc1 443851 KRWMYBIIZOBSFL-AWEZNQCLSA-N 327.409 2.826 0 50 EFAA CCOc1cc(-c2noc(CCC(=O)N3CCCC3)n2)ccc1OC 4488203 FVTQURYYYBPTJR-UHFFFAOYSA-N 345.399 2.699 0 50 EFAA COc1ccccc1OCc1nn2c(-c3cccnc3)nnc2s1 4511766 QTRLMPFJBVMBQE-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccccc2)n1C[C@H]1CCCO1 6742689 XAQFFTKXCMLATL-CQSZACIVSA-N 346.456 2.750 0 50 EFAA Cc1nsc(NC(=O)N2CCC([C@H](O)c3cccs3)CC2)n1 55359032 BHYVVMBRDHBRIO-LBPRGKRZSA-N 338.458 2.886 0 50 EFAA O=C(c1ccccc1Cl)N1CCn2c1nc1ccccc1c2=O 9476673 IVBUUZLXKHJUAP-UHFFFAOYSA-N 325.755 2.710 0 50 EFAA CC(C)N1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO 104400424 QZVYNVCVELYHPT-GOSISDBHSA-N 334.508 2.734 0 50 EFAA CCn1nc(C)c(NC(=O)CNC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1C 101861820 RKHXKZLBFADPEO-BZUAXINKSA-N 328.460 2.650 0 50 EFAA CC(=O)NCC1CCN(Cc2cc(C)cc(C)c2-n2cccn2)CC1 67921113 WIUSDKHXELCWAH-UHFFFAOYSA-N 340.471 2.837 0 50 EFAA C[C@@H](c1ccccc1)S(=O)(=O)c1nnc2n(C)c3ccccc3n12 350146872 NHEMINZFKOOIAT-LBPRGKRZSA-N 340.408 2.756 0 50 EFAA CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1 39333810 GWTINWHKJSKKAE-QGZVFWFLSA-N 329.444 2.782 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 252517727 PYSMLNPJXSHQGD-SXXASDTRSA-N 328.431 2.872 0 50 EFAA COc1cc(NC(=O)c2noc3c2CCCC3)cc(OC)c1OC 426358 WQIQTRKNWQZESG-UHFFFAOYSA-N 332.356 2.832 0 50 EFAA COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 171601300 ABSGYZKGMFIPHO-CYBMUJFWSA-N 342.233 2.774 0 50 EFAA CN(CC(=O)N1CCc2c(Cl)cccc2C1)Cc1ccncc1 218827756 BQBAFLIUSJANBV-UHFFFAOYSA-N 329.831 2.752 0 50 EFAA Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc(O)n[nH]3)[nH]c2c1 329206829 YJIVJZSVUDOPBE-AWEZNQCLSA-N 325.372 2.667 0 50 EFAA CC(C)c1n[nH]c2c1CN(Cc1cnc(N3CCCCC3)nc1)CC2 215537927 VTIWUEMETIEVKY-UHFFFAOYSA-N 340.475 2.872 0 50 EFAA COCCN1C[C@]2(CCCN(Cc3ccc(C)s3)C2)CCC1=O 77541095 FDIXTFNGEMWYOH-GOSISDBHSA-N 336.501 2.908 0 50 EFAA O=C(O)c1cc(-c2ccc[nH]2)cc(S(=O)(=O)N2CCCCCC2)c1 72153614 ZOUUBAFJPCZEBN-UHFFFAOYSA-N 348.424 2.945 0 50 EFAA Cc1csc2c(N3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)ncnc12 253428923 FVQUEEQGFWAXIV-KGLIPLIRSA-N 343.456 2.826 0 50 EFAA Brc1ccnc(NC2CCN(C[C@H]3CCOC3)CC2)c1 253427977 BXEHJDQUSBCYQJ-GFCCVEGCSA-N 340.265 2.757 0 50 EFAA Cc1nc(C2(NC(=O)Nc3ccc(-c4cc[nH]n4)cc3)CCC2)no1 151632066 YHHPNAAXHXMIFP-UHFFFAOYSA-N 338.371 2.969 0 50 EFAA O=C(c1cccnc1S)N1CCO[C@]2(CCc3ccccc32)C1 155394710 YXYXLJYOBFLZKM-GOSISDBHSA-N 326.421 2.684 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC(COc2ccccc2)CC1 155647007 UZRCKGXXFVGSGG-FQEVSTJZSA-N 338.451 2.874 0 50 EFAA Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCc3sccc32)n(C)n1 126586847 FRHYIANXAJIEFV-GFCCVEGCSA-N 341.440 2.941 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@]3(CCSC3)C2)cc1 490761300 VNMLUDUYVKCIGI-LJQANCHMSA-N 344.480 2.848 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cccnc21 333385910 CCOHQDYGHXNCCW-IXDOHACOSA-N 334.423 2.692 0 50 EFAA CNC(=O)c1cc2c(s1)CCN(C[C@@H]1CCCN3CCCC[C@H]13)C2 72419491 ZJZZIHIECFBFQP-GOEBONIOSA-N 347.528 2.730 0 50 EFAA C[C@@H](N)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 157682281 MEDRMMDBNURGCO-GFCCVEGCSA-N 344.286 2.765 0 50 EFAA CC[C@H]1CN(C(=O)c2cc(C)c[nH]2)CCC(=O)N1Cc1ccccc1 71759572 MVTQGRRCGFPGCT-KRWDZBQOSA-N 339.439 2.976 0 50 EFAA Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 241884852 SYIMBSDNTZLQFX-CSAOUQSSSA-N 348.491 2.761 0 50 EFAA CCc1nc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cs1 239667659 BRBWNRJDFNGFEW-WBVHZDCISA-N 344.484 2.950 0 50 EFAA CCc1c(C(=O)N2CCC[C@H](CNC)C2)cnn1Cc1ccccc1 158999127 GVIGPYXRZSEBFV-QGZVFWFLSA-N 340.471 2.565 0 50 EFAA CN1CCc2c(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cccc21 239762554 CMCOVFCBHXGQGD-IAOVAPTHSA-N 327.428 2.758 0 50 EFAA NC(=O)c1csc(N2CCC[C@@H](COc3ccc(F)cc3)C2)n1 77554244 UNRMSQUNFMIPLY-LLVKDONJSA-N 335.404 2.677 0 50 EFAA O=C(c1ncccc1O)N1CCC[C@@H](COc2ccc(F)cc2)C1 72425864 ADHKHPGDVMHASN-CYBMUJFWSA-N 330.359 2.858 0 50 EFAA O=C([C@H]1CCc2ccccc21)N1CCN(C2CCSCC2)CC1 215310191 FSBLQBCWEKCCTA-SFHVURJKSA-N 330.497 2.756 0 50 EFAA COc1cccc(CS(=O)(=O)N2CCCN(C)c3ccccc32)c1 172602718 KQLYIDFYWFCEEP-UHFFFAOYSA-N 346.452 2.872 0 50 EFAA CCCCCCN1CC2(CCN(Cc3nccn3C)CC2)OC1=O 72475869 DRDBPRTXIHPXFD-UHFFFAOYSA-N 334.464 2.787 0 50 EFAA CCNc1ncc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)cn1 77343705 LCDYUQHZWYBTDV-UHFFFAOYSA-N 340.427 2.900 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCC(c2nccn2CC2CC2)CC1 82171179 ZNLJMCVVMKQGHL-UHFFFAOYSA-N 349.385 2.905 0 50 EFAA Cc1cc([C@H]2CCCCN2C(=O)CCc2c(C)nc(O)nc2C)no1 223380762 MKLJOOBTFNVDSX-MRXNPFEDSA-N 344.415 2.782 0 50 EFAA COc1cc(C(=O)NCC2(c3ccccn3)CC2)cc(Cl)c1O 225498253 AENSNMPKMRRWDX-UHFFFAOYSA-N 332.787 2.911 0 50 EFAA Cc1sc2[nH]c(=S)n(NC(=O)c3ccccn3)c(=O)c2c1C 17068332 BWPPHYBBYLOCMC-UHFFFAOYSA-N 332.410 2.516 0 50 EFAA Cc1cc(-c2nn(CC(=O)Nc3ccnn3C)cc2C)c(C)s1 48241161 HZAKHACEODRJQR-UHFFFAOYSA-N 329.429 2.909 0 50 EFAA Cc1cc(NC(=O)Cn2cc(C)c(-c3ccc(C)s3)n2)n(C)n1 48179542 UTGISXVUSAUKEZ-UHFFFAOYSA-N 329.429 2.909 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1nccs1)CC2)[C@H]1CCCO1 20271163 IUXUMLQANSNJOD-MRXNPFEDSA-N 343.452 2.819 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)NCc2ncc[nH]2)cc1 426668406 QMECOTCQEWCNAV-QGZVFWFLSA-N 341.459 2.908 0 50 EFAA Cc1ccc(OC(C)(C)C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1 91807428 TVMPWANSSSIGBQ-FQEVSTJZSA-N 344.455 2.623 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3csc(SC)n3)[C@H]2C1 426427865 AAYKDDNHVZOZMK-ITDIGPHOSA-N 342.486 2.664 0 50 EFAA COc1ccc([C@H](C(=O)O)N(C)Cc2c(C)nn(C)c2C)cc1C 95385268 UIIGWSGAIWUTON-QGZVFWFLSA-N 331.416 2.612 0 50 EFAA COCCn1cnnc1CN(C)C(=O)c1oc2cc(C)ccc2c1C 91390710 YCTVKNULOKYFBN-UHFFFAOYSA-N 342.399 2.560 0 50 EFAA CCCn1nc(C)c(CNC(=O)Nc2ccc3c(c2)CC(=O)N3)c1C 95523132 WNZWHOMJCQXAAU-UHFFFAOYSA-N 341.415 2.726 0 50 EFAA CCCc1nc(C(=O)N2CCC(Cc3noc(C)n3)CC2)cs1 92003036 HPUXHSGMHPYFPN-UHFFFAOYSA-N 334.445 2.882 0 50 EFAA CC1(C)CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@@H]1c1ccccc1 91665849 IGEPVYKTJVRSAD-QGZVFWFLSA-N 349.496 2.854 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95391646 JCYOSRCNCACYQW-QGZVFWFLSA-N 330.407 2.688 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccc2cccc(F)c2n1)c1ccco1 95505156 DGVCTNHILKTJQN-ZDUSSCGKSA-N 328.299 2.913 0 50 EFAA O=C(C1CC1)N1CCC(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1 96150473 GXPRLUKHNCSMLH-UHFFFAOYSA-N 337.383 2.729 0 50 EFAA CN(C)[C@H](C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1F 95382690 GJOHMMNWDDYGNY-KRWDZBQOSA-N 334.435 2.848 0 50 EFAA Cc1ccc(F)cc1-n1ccnc1-c1cn(C2CCNCC2)nn1 91819539 PGMWSSDXPUEOTA-UHFFFAOYSA-N 326.379 2.503 0 50 EFAA CC(=O)N(C)C1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 180000961 UTHMKSLZWJYZLM-UHFFFAOYSA-N 327.428 2.570 0 50 EFAA O=C(O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21 36075401 LBVXPUINIMIGAU-UHFFFAOYSA-N 341.363 2.626 0 50 EFAA biogenic CCN(C)C(=O)c1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1 299798385 RJGQFLYILQZEMN-OAHLLOKOSA-N 337.423 2.769 0 50 EFAA Cc1ccc(-c2nc([C@H](C)N3CCOCC3)n(CC(F)(F)F)n2)o1 670450786 PPXRRSXFNKGOTQ-NSHDSACASA-N 344.337 2.802 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@@H]1NC(=O)N(C)C 1565529209 ZZYSPDVRARMYCC-CVEARBPZSA-N 348.491 2.611 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)c1ccn(C)n1 274823079 STSXOAZJHXUFAN-VIFPVBQESA-N 343.353 2.562 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@](O)(C(F)F)C1 408519949 XJKPWMWANSWPIZ-IBGZPJMESA-N 345.345 2.760 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@H]1C[C@@H]1c1ccco1)[C@@H]3C2 221355415 RXANDQJBEIHWCY-VIPIMJPTSA-N 349.452 2.750 0 50 EFAA C[C@H](Cc1ccc(F)cc1)C(=O)NCc1ccnc(-n2cccn2)c1 170594959 JBTJVEUKVZGECW-CQSZACIVSA-N 338.386 2.901 0 50 EFAA CCn1nccc1CCSc1nnc(N(C(C)=O)C2CC2)s1 170610424 XVUQLPWWAHDDCJ-UHFFFAOYSA-N 337.474 2.605 0 50 EFAA c1cnnc(N2CCC(Nc3nc(C4CC4)nc4[nH]ccc34)CC2)c1 631246200 GCOTYHBLRFKQLA-UHFFFAOYSA-N 335.415 2.706 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccoc2C)C1 190512036 UMRVNEWEHYHSIL-CQSZACIVSA-N 333.457 2.947 0 50 EFAA O=C(NCc1ccc(C(F)F)cc1)c1cc(N2CCOCC2)ccn1 190765047 QMEUKOLZOREJJC-UHFFFAOYSA-N 347.365 2.786 0 50 EFAA COc1ccc2c(c1)CC[C@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 680240606 HXJGLDPHGYQCCZ-INIZCTEOSA-N 348.406 2.768 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CCCCC(=O)N2)c(OCC(F)(F)F)c1 193906670 FCJQXAYXHCUFBR-GFCCVEGCSA-N 344.333 2.933 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCc2cccc(CO)c2)cn1 657350184 PSOQGWHDHYITOC-PKOBYXMFSA-N 329.444 2.653 0 50 EFAA CCCOc1ccccc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615958642 DBOZMIUBIWZNJK-WMZOPIPTSA-N 340.423 2.858 0 50 EFAA Cc1ccc2oc(CN3C[C@H](Cc4cnccn4)[C@@H](O)C3)c(C)c2c1 1616079806 JSZWFFXLPFEAHA-YJBOKZPZSA-N 337.423 2.875 0 50 EFAA COc1ccc(NC(C)(C)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 1506428264 ODTABXULYOMPPZ-KRWDZBQOSA-N 345.487 2.973 0 50 EFAA COCCN1CC[C@H](CN(C)c2cc(C)c3ccc(OC)cc3n2)C1 1529190460 JLWVKGWRYNEVOV-MRXNPFEDSA-N 343.471 2.956 0 50 EFAA Cn1cnnc1[C@H]1CCCN1c1ncc(Cl)cc1Br 225600815 GPJIPNUVJBWVLR-SNVBAGLBSA-N 342.628 2.968 0 50 EFAA CO[C@H]1CN(c2nc(C)nc3ccsc23)C[C@H]1Cc1cc(C)no1 1704338209 OKNGIZOBQDKCKP-DOMZBBRYSA-N 344.440 2.990 0 50 EFAA CC(=O)c1cnc(NCc2ccc(C(=O)N3CCCC3)cc2)nc1C 1772703718 PQXGKZCVFJTGAC-UHFFFAOYSA-N 338.411 2.836 0 50 EFAA CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 5483790 VKFKXDGCJAYOQR-UHFFFAOYSA-N 343.408 2.947 0 50 EFAA COc1ccccc1NC(=O)c1nnn(-c2cc(C)cc(C)c2)c1N 11692984 SVNRAOVRZZRSRQ-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA c1ccc(CCc2noc(CN3CCN(c4ccccn4)CC3)n2)cc1 12465328 SGUQQPLDOBYWQF-UHFFFAOYSA-N 349.438 2.572 0 50 EFAA O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12749080 FAYBEQFTHNRGBS-LLVKDONJSA-N 348.752 2.757 0 50 EFAA Cc1nccc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)n1 1857671184 OVXWZIAXGPPJQV-IAGOWNOFSA-N 333.476 2.706 0 50 EFAA COc1cnc(C)cc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 1857678040 AHOGJMLDRIURKV-ZDUSSCGKSA-N 330.388 2.882 0 50 EFAA COCCNCCOc1ccc(C)cc1-c1cccc2nc(O)[nH]c12 1857716743 QYAHIPTXEHKEOM-UHFFFAOYSA-N 341.411 2.859 0 50 EFAA O=C(CN1CCCCC1)N=c1nc(SCc2ccccc2)s[nH]1 1875248190 BWXPWXMQKQBHLD-UHFFFAOYSA-N 348.497 2.677 0 50 EFAA O=C1C[C@H](NC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CN1 408514681 CTEYTTYBCGPWQD-NSHDSACASA-N 346.774 2.537 0 50 EFAA CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)c(O)c1 225662863 XYHYAMHSSQUXAR-UHFFFAOYSA-N 335.381 2.678 0 50 EFAA O=C(CN[C@H]1CCCC[C@@H]1Cc1ccccc1)NC1CCOCC1 119016407 DLXVBDNBBVBMRU-MJGOQNOKSA-N 330.472 2.673 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 156277978 CXPAEYPLGJQASB-STQMWFEESA-N 332.835 2.725 0 50 EFAA O=C(O)c1cnn(C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 263287518 ZRARAXISPLPYOD-UHFFFAOYSA-N 347.802 2.641 0 50 EFAA COc1ccc(NC(=O)N(C)CCO)cc1NC(=O)C1CCCCC1 265555099 ZGEGJQBXUCLXPJ-UHFFFAOYSA-N 349.431 2.670 0 50 EFAA Cc1cc([C@H](C)NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)c(C)o1 390652005 JYMAGWXEQSVCMV-QMMMGPOBSA-N 341.385 2.844 0 50 EFAA COc1cccc(C(=O)N2CCN(CCCC(F)(F)F)CC2)c1 1202443741 WASOJNUMRURYOW-UHFFFAOYSA-N 330.350 2.796 0 50 EFAA Cn1cc(NC(=O)N2CC(Cc3cccc(Br)c3)C2)cn1 904219258 FBGJEPIJTBTALD-UHFFFAOYSA-N 349.232 2.889 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@H](c3n[nH]cc3N)C2)cc1Cl 864380804 IOMUAOXIINZJJE-LBPRGKRZSA-N 348.834 2.603 0 50 EFAA Cc1csc(-c2ccc(N[C@H](C)CS(=O)(=O)N(C)C)cc2)n1 1875285150 DROMAMCKLWHPFO-GFCCVEGCSA-N 339.486 2.810 0 50 EFAA C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCCC3(CC3)C2)C[C@@H](C)O1 1875319963 AILUMWQBXMSMER-BRWVUGGUSA-N 337.508 2.755 0 50 EFAA O=C(NC[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc2c(cc1F)CCNC2 1875304679 QXBNNGUXXOUZFW-WKPIXPDZSA-N 338.373 2.883 0 50 EFAA CO[C@]1(c2nnc(-c3cnn(-c4cccc(C)c4)c3C)o2)CCOC1 886085517 IUAJLOGXCMAARA-GOSISDBHSA-N 340.383 2.801 0 50 EFAA Cc1cnn(C[C@@H](C)NC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 888094007 UXXUROIGMMQVIG-HZPDHXFCSA-N 334.464 2.713 0 50 EFAA O=C1CCN(C(=O)[C@@H](c2ccncc2)C2CCCC2)CCCCCN1 889434705 XDGIXVOCKRPBST-LJQANCHMSA-N 343.471 2.874 0 50 EFAA CC1([C@@H]2CN(C(=O)c3ccccc3C(=O)c3ccccc3)CCO2)N=N1 1775998710 GYOPWWCNUOQRLT-KRWDZBQOSA-N 349.390 2.941 0 50 EFAA CCCCOc1ccc([C@H](C)NC(=O)c2cc(O)nn2C)cc1OC 1775990159 DDJYAQARLWSMTC-LBPRGKRZSA-N 347.415 2.804 0 50 EFAA CC(C)(C)c1ncc(CN2CCOc3cccc(C(=O)O)c3C2)cn1 1776281900 GDRPPJKIGZPPFD-UHFFFAOYSA-N 341.411 2.867 0 50 EFAA O=C(c1cccs1)[C@@H]1CCCN(Cc2ccn3ncnc3c2)C1 2100540831 RLPLNNXPMLMYNE-CQSZACIVSA-N 326.425 2.886 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@@H](O)C3)ncnc21 2100541078 UWRXVJIHSWTXRH-CQSZACIVSA-N 331.464 2.786 0 50 EFAA N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)CCCC2(CCC2)C1 2325787256 NUMWQMLBBXZQIU-JXXFODFXSA-N 342.439 2.858 0 50 EFAA O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 52896 WWNGBTPOBHQWOV-MRXNPFEDSA-N 346.789 2.943 0 50 EFAA COc1ccc(CC(=O)NC[C@@H]2OCCc3ccccc32)cc1OC 118819 HTFQGTQZATVHEP-IBGZPJMESA-N 341.407 2.677 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 119634 OIUKYDOJRNJSII-LBPRGKRZSA-N 329.352 2.888 0 50 EFAA O=C(CCCC(=O)n1nnc2ccccc21)Oc1ccccc1F 136120 GLXCVIBYHFRQCF-UHFFFAOYSA-N 327.315 2.987 0 50 EFAA COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1OC 249247 LDMNDYIVMQGTTO-UHFFFAOYSA-N 325.430 2.873 0 50 EFAA O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 324703 YMFOKEHORIJDBR-UHFFFAOYSA-N 345.424 2.509 0 50 EFAA COc1ccc(NC(=O)NCc2ccc(C(=O)O)cc2)c(OC)c1 610255 WNFKYRVPJZUDPM-UHFFFAOYSA-N 330.340 2.724 0 50 EFAA Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 1075007 LVYGPSVTWGGUMY-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA CN1C(=O)C(C2c3ccccc3Oc3ccccc32)C(=O)N(C)C1=O 2837442 KKAHMQFUFLHHLI-UHFFFAOYSA-N 336.347 2.591 0 50 EFAA CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10357915 SRVWXFPAWRIZJX-UHFFFAOYSA-N 332.425 2.854 0 50 EFAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N1CC[C@@H](N2CC=CC2)C1 225305691 WIKQLQGMZMTOIH-WAOWUJCRSA-N 337.467 2.546 0 50 EFAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1 225501650 GGDJMGQQGBZPHS-CJNGLKHVSA-N 348.397 2.591 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nc(-c3ccco3)no2)c1 225729189 QBSZJGSZVCDFKJ-DZGCQCFKSA-N 341.367 2.646 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 246319289 CYMMRPSQMSZUFO-OWCLPIDISA-N 327.428 2.613 0 50 EFAA COc1ccccc1N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 55564329 ZLGWQXQPUDQDQQ-INIZCTEOSA-N 345.487 2.655 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(C(=O)N2CCCC2)n1 246905711 LSURHRTZEIHKRL-QLFBSQMISA-N 329.444 2.872 0 50 EFAA CC(C)CC1=NC(=O)C2(CCN(C(=O)N(C)c3ccccc3)CC2)N1 65406806 LALVHTJLXMWRDG-UHFFFAOYSA-N 342.443 2.652 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccccc3C(=O)O)CC2=O)cc1 67881839 CHVWKBJTIMRIJU-UHFFFAOYSA-N 338.407 2.538 0 50 EFAA COc1cccc(OC)c1OCCNCc1ccc2c(c1)OCO2 65370424 JWUCDQOVLBMVAP-UHFFFAOYSA-N 331.368 2.601 0 50 EFAA COc1cc(-c2noc(C[C@@H]3CCCC(=O)N3)n2)ccc1OC(C)C 349911861 XKLCAKJIVDHFQS-ZDUSSCGKSA-N 345.399 2.744 0 50 EFAA CC(C)Cc1nc([C@@H]2CCOC2)n(-c2ccc3c(c2)OCCO3)n1 65420746 ZPLPGNLAIPPWGF-CYBMUJFWSA-N 329.400 2.741 0 50 EFAA COc1ccccc1-n1cc(C(=O)Nc2cnc3n2CCCC3)cn1 67675275 ANULASBIMBLCKG-UHFFFAOYSA-N 337.383 2.666 0 50 EFAA COc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cc(C)no2)cc1 252463372 DSXFCIAUMNTPEQ-PBHICJAKSA-N 332.400 2.568 0 50 EFAA Cc1nc[nH]c1C(=O)N1CCC(CO)(CCCc2ccccc2)CC1 67872405 PRXGCNOSYDXEAF-UHFFFAOYSA-N 341.455 2.956 0 50 EFAA CN1CC[C@H](NC(=O)N2CCCC[C@H]2CCO)[C@@H]1c1ccc(F)cc1 252512092 MIMUTVFWZCEJBN-BZSNNMDCSA-N 349.450 2.517 0 50 EFAA O=C1OCCN1c1cccc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 252670725 LNRWSJYFIDAVQC-APYUEPQZSA-N 327.384 2.905 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccncc1OCC(F)(F)F 281037433 DZRXEXYVYPBNJL-QWHCGFSZSA-N 346.349 2.844 0 50 EFAA CCc1nnc(CN(C)C(=O)Cc2csc(-c3ccccc3)n2)o1 65405849 IJPGGRQMTIYXHO-UHFFFAOYSA-N 342.424 2.957 0 50 EFAA CNc1cc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)ccn1 67558987 LIAMOXUSPZBAGC-SFHVURJKSA-N 339.439 2.579 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=S)NCc2cccnc2)s1 5950063 KWAGAJMTOHEYKP-UHFFFAOYSA-N 335.454 2.979 0 50 EFAA O=C(NCCc1cnc(C2CC2)nc1)N1CCc2ccccc2CC1 253413938 WJVRWGCNDDUVRT-UHFFFAOYSA-N 336.439 2.707 0 50 EFAA CCc1cc(O)nc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1 121644474 IEVJROMFOYKRTC-DAOPMYJZSA-N 333.457 2.675 0 50 EFAA Cc1cc(C)n(-c2cccc(NC(=O)c3cnn4ncccc34)c2)n1 361343387 AJGBFQRANWGREL-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NCc2cc(C3CC3)[nH]n2)cc1 72470560 QCQVBHSZMKLROS-UHFFFAOYSA-N 327.428 2.921 0 50 EFAA O=C(O)c1cc(Cl)cc(NC(=O)c2cn(-c3ccccc3)nn2)c1 325408135 JKHAKKSFEAIIPH-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA CC[C@@H]1[C@H](C(=O)N2CC[C@@H](COC)C2)CCN1C(=O)OC(C)(C)C 328593722 AYPMJELLZYRHFL-RBSFLKMASA-N 340.464 2.517 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 77536624 MGHPGEIDXVQTPO-CYBMUJFWSA-N 331.441 2.917 0 50 EFAA Cc1cc(-c2cc(NCCN(C)C)nc3[nH]ccc23)c(=O)[nH]c1C 72157949 DUKCVWBEBDXMFD-UHFFFAOYSA-N 325.416 2.509 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCNC[C@@H]1C 125981414 DDSYBTSTNPISHA-NSHDSACASA-N 333.432 2.615 0 50 EFAA O=C(/C=C/c1ccnc2ccccc12)N1CCC[C@H]1Cn1cncn1 369410715 DYUOYDRNHRHLHO-WAVCKPEOSA-N 333.395 2.531 0 50 EFAA Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 77424831 BPXGFYGTJOAICG-UHFFFAOYSA-N 344.455 2.767 0 50 EFAA CN(Cc1ccc2nonc2c1)C(=O)c1cn(C2CCCCC2)nn1 14975642 BYKYFGOZKNNNCO-UHFFFAOYSA-N 340.387 2.592 0 50 EFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1cccc(F)c1F)C2 72478421 SLLGVZFDEOTDNF-UHFFFAOYSA-N 335.354 2.584 0 50 EFAA CC[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 237074007 XMVQYAGHOWEYEO-STQMWFEESA-N 345.317 2.511 0 50 EFAA CN(Cc1nnn(C/C=C/c2ccccc2)n1)C(=O)c1ccccc1 173697625 CEVGMPZYNTZDRT-DHZHZOJOSA-N 333.395 2.659 0 50 EFAA C[C@@H](Cc1cccs1)NC(=O)c1ccc2c(c1)NC(=O)CCN2C 172704487 DYICKPKPNRUYNJ-LBPRGKRZSA-N 343.452 2.888 0 50 EFAA COC(=O)N1CCC[C@H](NC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 241809986 SCEUBFVEJDJWQF-KHSSZTOVSA-N 337.464 2.731 0 50 EFAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263067387 RDNYZEOBIGLYOI-AWEZNQCLSA-N 344.264 2.786 0 50 EFAA CN(C)Cc1ccccc1CN(C)C(=O)[C@@H](O)c1cccc(F)c1 220651745 BYQAZVNZXHMTEP-SFHVURJKSA-N 330.403 2.579 0 50 EFAA CCOC(=O)c1cnc2nc(-c3ccccc3)nn2c1/C=C/N(C)C 226073613 JUPXXINLZOTUAB-ZHACJKMWSA-N 337.383 2.500 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NCCc1c[nH]c2ccccc12 426429870 WIPBXDJYAHOVLR-UHFFFAOYSA-N 339.443 2.934 0 50 EFAA CCc1cc(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)n(C)n1 177038254 HJLSNVFKWZQOPX-LBPRGKRZSA-N 332.408 2.858 0 50 EFAA CCOc1ccc(OCCN(C)c2cc([C@H]3CCOC3)ncn2)cc1 426578898 ZHRBACNAMSWHFG-HNNXBMFYSA-N 343.427 2.894 0 50 EFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCC[C@H](O)C1 222799417 PIFDBRIRIGOLGG-HOCLYGCPSA-N 330.453 2.901 0 50 EFAA O=C(NCCCn1ccnn1)N(Cc1ccsc1)C1CCCC1 426490576 LUZTXRBLRWDPGB-UHFFFAOYSA-N 333.461 2.884 0 50 EFAA CC(C)(NC(=O)c1c[nH]nc1C1CC1)c1ccc2c(c1)OCCO2 225605649 AVFUCORBHQZTIQ-UHFFFAOYSA-N 327.384 2.723 0 50 EFAA COCC[C@]1(CO)CCCN(CCCOc2ccc(F)cc2)C1 92022658 BEVGFJBQGPNJHO-GOSISDBHSA-N 325.424 2.706 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2cc(O)ccc2n1C 95507563 ZGNSDSPRUPCJLS-CYBMUJFWSA-N 338.411 2.935 0 50 EFAA Cc1ccccc1-c1noc(CCc2nc([C@H]3CCOC3)no2)n1 96164685 JNISOTLRGJCWTM-LBPRGKRZSA-N 326.356 2.717 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)NC[C@@H]1COc2ccccc2O1 91645252 LTYIYAIHDXRXFJ-MRXNPFEDSA-N 349.390 2.506 0 50 EFAA COCCOc1ccccc1NC(=O)N[C@@H](C)Cc1cccnc1 96163766 OCWXMKYMCIYZAA-AWEZNQCLSA-N 329.400 2.860 0 50 EFAA CNc1cc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2OC)ccn1 97711851 GSBCGDAMLUVNMB-GFCCVEGCSA-N 329.400 2.974 0 50 EFAA COCCC[C@@]1(CO)CCCN(C(=O)c2c(F)ccc(F)c2F)C1 91617055 SMMAKSGHPIUIEB-KRWDZBQOSA-N 345.361 2.745 0 50 EFAA CCCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCCCn2nnnc21 97475540 KJADASDHOGTYRF-VGMNTSGFSA-N 339.443 2.893 0 50 EFAA Cc1nn(CC(=O)N2CCCC[C@@H]2CCn2cccn2)cc1Cl 95363790 QDVHDVKYONJGEC-CQSZACIVSA-N 335.839 2.513 0 50 EFAA Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)O)no1 240662391 PKPNFXVWVSGIDA-ZDUSSCGKSA-N 349.412 2.908 0 50 EFAA O[C@H]1C[C@H]([C@H](Cc2ccccn2)Nc2ncnc3ccsc23)C1 244817167 SVIHETDLGIHRPR-WHOFXGATSA-N 326.425 2.880 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c(C)o1 181316994 QUNGGEWXKCEHTI-MAUKXSAKSA-N 345.420 2.605 0 50 EFAA CCN1CCO[C@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 299748845 IKJXEPZZLIKZIJ-HRCADAONSA-N 329.400 2.708 0 50 EFAA C[C@@H]1CN(C(=O)N[C@H]2CCc3c(O)cccc32)CCN(C2CC2)C1 297800451 FBUZTWFTOKWZFU-GUYCJALGSA-N 329.444 2.505 0 50 EFAA O=C(NCCn1ccnc1)N[C@H]1CCCOc2c(Cl)cccc21 183500030 OMHYBVYYLULIIN-AWEZNQCLSA-N 334.807 2.750 0 50 EFAA O=C(NC[C@@H]1CCCO1)N1CCCN(CCCc2ccccc2)CC1 263677914 IIMXTDPTWSCXGW-IBGZPJMESA-N 345.487 2.516 0 50 EFAA Cc1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc2ccc(F)cc12 299791369 DRRLJTKIDSTRRY-IRXDYDNUSA-N 339.374 2.624 0 50 EFAA CC(C)c1nnc([C@H](C)NC(=O)CCc2nc3ccccc3[nH]2)o1 299771118 ZVBGHWYYHLKPES-NSHDSACASA-N 327.388 2.879 0 50 EFAA CCc1nccn1CCC(=O)N1CCc2ccc(OC)cc2[C@@H]1C 299763274 ZMQNLCHTOFPWDM-AWEZNQCLSA-N 327.428 2.990 0 50 EFAA Cc1[nH]nc(CCC(=O)NCC2(COc3ccccc3)CC2)c1C 299788804 XQIKHRSLSGKHJA-UHFFFAOYSA-N 327.428 2.935 0 50 EFAA Cc1nnc(CNC(=O)Nc2cccc(NC(=O)CC(C)C)c2C)o1 299788633 VWFPETTWQZUQCZ-UHFFFAOYSA-N 345.403 2.993 0 50 EFAA Cc1cccc(N2CCC(NC(=O)Cc3sc(N)nc3C)CC2)c1 827861559 OIAMXGLWUWTBTC-UHFFFAOYSA-N 344.484 2.670 0 50 EFAA COCCc1nc(CCc2cccnc2)n(C2Cc3ccccc3C2)n1 670461227 DUMWXFSJWNPKRY-UHFFFAOYSA-N 348.450 2.987 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(S(=O)(=O)N(C)C(C)C)C2)cc1 952970201 JWTXILYHFKCIJK-INIZCTEOSA-N 340.489 2.671 0 50 EFAA CCOc1ccc(CCCC(=O)N[C@H]2CCOC[C@@H]2OC)cc1C 1565516493 VUSSNGXVTJMVFD-WMZOPIPTSA-N 335.444 2.637 0 50 EFAA Cc1cnccc1CC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 185672720 DYBAQGUYQRPRDT-KRWDZBQOSA-N 327.403 2.857 0 50 EFAA O=c1c2sccc2ncn1Cc1cn(-c2ccc(Cl)cc2)nn1 170662676 IXARIFHHYIPSDF-UHFFFAOYSA-N 343.799 2.740 0 50 EFAA Cc1cc(N2CCC(N(C)c3nnc(C4CC4)s3)CC2)nc(C)n1 170604192 QYQLXZWBKFPUCN-UHFFFAOYSA-N 344.488 2.928 0 50 EFAA CCCCc1nc(Cn2nc(C)c([C@@H]3CCCC(=O)N3)c2C)no1 664097053 UEMAULJOBKHYJK-ZDUSSCGKSA-N 331.420 2.615 0 50 EFAA Cn1cc(C2=CCCN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)C2)cn1 636165544 DQZPJGWQQVAENC-TZIWHRDSSA-N 333.435 2.940 0 50 EFAA CC(C)(C(=O)N1CCNC[C@](C)(F)C1)c1cccc(C(F)(F)F)n1 638253362 LYTLNPIGXZSJNO-HNNXBMFYSA-N 347.356 2.538 0 50 EFAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccc(CNC(N)=O)cc2)n1 190367751 XVACGSRGUDOGIL-KBPBESRZSA-N 344.415 2.824 0 50 EFAA CC(C)N(C)c1ccc(CN2CCOCC3(CCOCC3)C2)cn1 191477409 HQBLAHVFSNEATC-UHFFFAOYSA-N 333.476 2.555 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 192749675 KRBBQSFXDMSLFN-DOMZBBRYSA-N 342.411 2.653 0 50 EFAA O=C(NC[C@@H](O)C1CC1)N[C@H](c1c(F)cccc1F)C(F)(F)F 195569553 YANVIZJYDBEXKD-ZYHUDNBSSA-N 338.276 2.638 0 50 EFAA FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@H]1CCOC1 922529396 UXNDOIBALASTBL-BZUAXINKSA-N 328.378 2.675 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 6742156 GGWIRDMPNOVKCW-UHFFFAOYSA-N 343.196 2.785 0 50 EFAA COc1ncccc1-c1nccn1-c1ccc2c(c1)nc([C@H](C)O)n2C 1772804293 LHZVFBSDGXMNOE-LBPRGKRZSA-N 349.394 2.883 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCCN2CCC[C@@H]12 1772806950 MIWYQKLPMWQLRD-WMZOPIPTSA-N 339.439 2.936 0 50 EFAA CC1=C(C)C[C@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@H]2C1 12562498 GQCZEUJZMZKGFY-HDICACEKSA-N 340.423 2.759 0 50 EFAA CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 16602616 RHOKYJQEKNSDTH-GFCCVEGCSA-N 326.387 2.723 0 50 EFAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 1857668604 FNFBSNNGSLVAGD-BZSNNMDCSA-N 327.472 2.861 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)CNc1cccnc1)CC(C)(C)O2 1857690544 MZMGOWHUVDBCPL-INIZCTEOSA-N 341.411 2.921 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@H](C)n2ccnc21 333222770 WXAOWZSPQSKYBC-JQWIXIFHSA-N 325.821 2.829 0 50 EFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)cc12 408053065 SPDMHGAPKKPPKZ-VHSSKADRSA-N 346.402 2.617 0 50 EFAA C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(OCC(=O)O)c1 450531492 ILNXHZCFEFFVHI-CYBMUJFWSA-N 325.364 2.737 0 50 EFAA COC[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(Cl)cc1 240412880 FOMPVXQJHNDITQ-RDJZCZTQSA-N 340.851 2.974 0 50 EFAA CCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)[C@@H](C)CN(C)C 242302060 YPFLHLZMINLSLQ-ZDUSSCGKSA-N 334.439 2.831 0 50 EFAA C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccsc1 669868775 IPPKODGCTMPIFS-VIFPVBQESA-N 333.804 2.868 0 50 EFAA Cc1nc(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)oc1-c1ccccc1 153563444 DNKCUGIXUVPOOQ-ZIAGYGMSSA-N 327.428 2.791 0 50 EFAA O=C(CC1(C(=O)O)CCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 262426382 BCSCKORKVUSTDT-CQSZACIVSA-N 345.395 2.766 0 50 EFAA C[C@H]1C[C@@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1 262771902 BHNGDVPYXYNACI-KBXCAEBGSA-N 337.423 2.512 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N1c2ncccc2N2CC[C@H]1C2 903657001 MYXQLRRYCWIIMD-LBPRGKRZSA-N 349.843 2.831 0 50 EFAA O=C(Nc1ncc(-c2ccccn2)s1)c1ccn(CC(F)F)n1 804227086 KDPRKCSRQNUZHD-UHFFFAOYSA-N 335.339 2.919 0 50 EFAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C(=O)O)C1 905268499 IXVBOVPYTRPLGA-GXTWGEPZSA-N 346.427 2.916 0 50 EFAA O[C@@H](CN1CCC(Cn2ccnn2)CC1)c1cccc2ccccc12 815076157 MOSJJIMESYOFBJ-FQEVSTJZSA-N 336.439 2.877 0 50 EFAA COc1cc(Br)cc(CNC(=O)c2oc(C)nc2C)c1 830422289 TZYIUMCPUZLGHA-UHFFFAOYSA-N 339.189 2.993 0 50 EFAA CC(C)[C@H](NC(=O)N[C@H]1c2ccccc2OC[C@H]1CO)C(F)(F)F 931037856 DPESAJWGKNFWAT-HONMWMINSA-N 346.349 2.615 0 50 EFAA C[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1nc(C(C)(C)C)no1 933802752 OUPPEIIULWZSAQ-ZETCQYMHSA-N 327.335 2.529 0 50 EFAA Cn1cc([C@@H](O)c2nc(-c3ccc(SC(C)(C)C)nc3)no2)cn1 952876447 QHRKQNWMNQYZKL-CYBMUJFWSA-N 345.428 2.837 0 50 EFAA Cc1ccc(C(=O)N[C@@H](c2nc(-c3ncc[nH]3)no2)C(C)C)cc1 952992873 FKKUVFKYSIXDOS-CYBMUJFWSA-N 325.372 2.895 0 50 EFAA C[C@@H](NC[C@@H]1CCCO[C@H]1c1cnn(C)c1)c1cccc(CO)c1 886079988 IBNRADGEQYOLPB-DKSSEZFCSA-N 329.444 2.731 0 50 EFAA CC(C)c1nc(-c2noc([C@@H]3CCc4nnn(C)c4C3)n2)cs1 888101783 OCZWTDKMPRFPPW-SECBINFHSA-N 330.417 2.718 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccnc1 534432 WQSCNQPHEUGDBK-HNNXBMFYSA-N 337.162 2.801 0 50 EFAA COC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 555884 UYSSLPKTQNZQQQ-UHFFFAOYSA-N 328.393 2.806 0 50 EFAA O=C(Nc1cnsc1)N1C[C@@H]2C(F)(F)C(F)(F)[C@]2(Cl)C1 2325763778 GEOJHPPWSABKEB-XPUUQOCRSA-N 329.706 2.869 0 50 EFAA C[C@@H](CN(C)c1ncnc(N)c1Br)c1nccs1 2325802354 BQRRPVMQBZRIAU-ZETCQYMHSA-N 328.239 2.518 0 50 EFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1ccnc(O)c1 2332239209 RMEAAWXUCFXARN-DZGCQCFKSA-N 329.404 2.643 0 50 EFAA COc1cc(C(=O)N2CCCc3cc(C(N)=O)ccc32)ccc1F 120797313 WCBITFLSERBURS-UHFFFAOYSA-N 328.343 2.526 0 50 EFAA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 38763 YHQZZSHOCWJMFT-UHFFFAOYSA-N 330.409 2.987 0 50 EFAA CC1(C)SC(=S)N(N)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 262386 YXEBCLXSJYKLLY-SECBINFHSA-N 346.865 2.875 0 50 EFAA Nc1ccc(Br)cc1[C@@H](NCC(=O)O)c1ccccc1 265656 XKMGHXXIKZRCSP-HNNXBMFYSA-N 335.201 2.795 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccncc2)c(Cl)c1Cl 479546 CGPAYRCUPNSSJM-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA C[C@H](CN1CCc2nc(C3CCOCC3)nn2CC1)c1ccccc1 2356135801 UDKULRUDHYQWHX-MRXNPFEDSA-N 340.471 2.834 0 50 EFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)CCc2ccc(O)cc2)C1=O 2356138105 HQFXAKYRYSOGOJ-HXUWFJFHSA-N 344.455 2.717 0 50 EFAA CN(C)c1ccc(-c2ccnc(N3CC[C@@H](n4ccnc4)C3)n2)cc1 2356138296 LEWXAHYKVWQFCE-QGZVFWFLSA-N 334.427 2.858 0 50 EFAA COc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OC 2869973 VKRACHLFFSPYAN-UHFFFAOYSA-N 345.395 2.830 0 50 EFAA biogenic,in-vitro COc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC 3908392 XFDXKGVNJKKJRK-UHFFFAOYSA-N 342.351 2.924 0 50 EFAA CSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 4511986 RKFOYDAQZBIAJY-UHFFFAOYSA-N 325.393 2.757 0 50 EFAA COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1C 6719114 XWFVKGNSWKBPPC-UHFFFAOYSA-N 338.363 2.995 0 50 EFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 6742993 WCHAHRSHPQLKPK-LBPRGKRZSA-N 344.864 2.730 0 50 EFAA CCn1c(=O)c(C(=O)Nc2cccc(OC)c2)c(O)c2ccccc21 100512616 RZZNVXTULOXJIS-UHFFFAOYSA-N 338.363 2.988 0 50 EFAA CC(C)COc1cccc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 111372541 DNAICRFPAYNUAO-QGZVFWFLSA-N 328.416 2.672 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc2c1 225681760 KOKYOACOCHGWTE-NVXWUHKLSA-N 339.370 2.730 0 50 EFAA CCOc1ccccc1CN(C(=O)[C@H]1CCCN1C(=O)CC)C1CC1 55154033 YJJKJFIKWSKXBV-QGZVFWFLSA-N 344.455 2.977 0 50 EFAA Cn1c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc2ccccc21 20719759 RRNIZZZZPKIIFP-UHFFFAOYSA-N 327.428 2.509 0 50 EFAA Cc1nnc(NC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)s1 63856985 PIUQBPCRXTVZJE-OAHLLOKOSA-N 346.456 2.694 0 50 EFAA Cc1cnccc1-c1nc2c([nH]1)C[C@@H](c1ccc(F)cc1)CNC2=O 65406267 WHYVYVNVGSFKIC-CYBMUJFWSA-N 336.370 2.989 0 50 EFAA Cc1c(CNC(=O)c2nc3ccccc3c(=O)[nH]2)oc2ccccc12 115634707 UUOQSYFIJXPWOP-UHFFFAOYSA-N 333.347 2.908 0 50 EFAA O=C(CCN1CCCCCCC1)N1CCC(Nc2ncccn2)CC1 63883171 HPWKCUIJHPAQCA-UHFFFAOYSA-N 345.491 2.536 0 50 EFAA COc1ccccc1N1CCN(C[C@@H]2COc3ccccc3O2)CC1 20775756 IQDINXFLUAYBCC-MRXNPFEDSA-N 340.423 2.657 0 50 EFAA CC(C)c1nc2cc(C(=O)NCC(C)(C)N3CCOCC3)ccc2o1 23129235 PXYZALRGHKCUFQ-UHFFFAOYSA-N 345.443 2.792 0 50 EFAA CCCc1ccc([C@@H](C)NC(=O)CNCc2cnc(C)cn2)cc1 65381602 VJYGPNFMEAOVPA-OAHLLOKOSA-N 326.444 2.705 0 50 EFAA Cc1ccc(C2(CNC(=O)C3(S(C)(=O)=O)CCC3)CCC2)cc1C 280872678 WUOQZELWYNESHL-UHFFFAOYSA-N 349.496 2.809 0 50 EFAA COC(C)(C)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 171601297 ABSGYZKGMFIPHO-ZDUSSCGKSA-N 342.233 2.774 0 50 EFAA O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CC[C@H]2CCCC[C@H]21 252503703 VFUGJPHKNADEFH-VNQPRFMTSA-N 348.468 2.879 0 50 EFAA CN1C(=O)[C@]2(OC[C@@H](COc3ccc(Cl)cc3)O2)c2ccccc21 1063990 JPIUUDDEQIMAHV-KDOFPFPSSA-N 345.782 2.964 0 50 EFAA COCc1nc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)no1 77353625 XFWJVNUKFFJHSV-CYBMUJFWSA-N 341.371 2.603 0 50 EFAA Cc1cccc(NC(=O)CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 364434963 PMDDESMXNSXTOO-HXUWFJFHSA-N 335.407 2.529 0 50 EFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CCOc2c(F)cccc2C1 366780118 LPNSHHJSYLFDTE-MRXNPFEDSA-N 333.334 2.810 0 50 EFAA O=C(c1ccc(CO)c(F)c1)N1CC[C@@]2(CCc3ccccc3O2)C1 366448681 DRNUZFDRIKNQRQ-FQEVSTJZSA-N 341.382 2.928 0 50 EFAA C[C@H](NC(=O)c1nc(C2CC2)nn1C)c1ccc(OC(F)F)cc1 454133328 JABABPFCKRNUGJ-VIFPVBQESA-N 336.342 2.785 0 50 EFAA CC(C)(C)n1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cn1 282431357 FZUQFPJYFGUJBJ-HOTGVXAUSA-N 331.391 2.725 0 50 EFAA COCCOc1ccc(NC(=O)c2snc(O)c2Cl)cc1F 240412651 FNOTYSZIVILQKZ-UHFFFAOYSA-N 346.767 2.919 0 50 EFAA OCCN(Cc1nc(CCc2ccccc2)no1)[C@@H]1CCCSC1 241707085 QMMSIRKVRQWBIR-MRXNPFEDSA-N 347.484 2.545 0 50 EFAA COCCCNC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 13331357 WPAWWVMUBCSPBP-UHFFFAOYSA-N 334.395 2.845 0 50 EFAA C[C@@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 237335319 PJQHGZPBGRBYNA-GWCFXTLKSA-N 345.317 2.511 0 50 EFAA CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)C1CC(c2ccccc2)C1 372397910 XLTKDYFPCSLTLT-QQFBHYJXSA-N 325.412 2.932 0 50 EFAA OCC[C@H]1CN(c2ncccc2Cl)CCN1Cc1ccccc1F 72430621 MZFQBMOZJPNLEL-HNNXBMFYSA-N 349.837 2.947 0 50 EFAA O=C1CO[C@@H]2CCN(Cc3ccc(-c4ccsc4)cc3)C[C@@H]2N1 374015804 YCWXBPOEFSFMPL-DLBZAZTESA-N 328.437 2.504 0 50 EFAA N[C@H]1CCC[C@@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 237906447 WSFPXTJPJAVWOG-CABCVRRESA-N 326.444 2.786 0 50 EFAA CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 376751016 GGBXSLOUMXRPSL-IHRRRGAJSA-N 336.436 2.997 0 50 EFAA C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1)c1cccs1 263058947 BCCDXWODALIOSE-KYOSRNDESA-N 337.441 2.580 0 50 EFAA CN1CCC[C@@H](CNc2cnc3ccccc3n2)[C@@H]1c1ccnn1C 284915541 PIMUQABAOUJDSM-IFXJQAMLSA-N 336.443 2.858 0 50 EFAA Cc1ccc(Sc2nsc(NC(=O)Cc3cnn(C)c3)n2)cc1 174553668 RQHIASFGTOAOFV-UHFFFAOYSA-N 345.453 2.912 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 225789463 KXJOPPHFFLVPIZ-AKHDSKFASA-N 349.386 2.870 0 50 EFAA CC(=O)c1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cs1 222342585 QWNQQYBVBCXVES-SFHVURJKSA-N 345.468 2.997 0 50 EFAA CCCn1ncc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)c1C 95506511 TZQHSOZLVXLLEU-AWEZNQCLSA-N 343.427 2.591 0 50 EFAA Cc1ccc2nc(C(=O)N(C)Cc3noc(C4CCCC4)n3)cn2c1 91256022 OKBHYWBVSVFZJB-UHFFFAOYSA-N 339.399 2.956 0 50 EFAA Cc1nc(C(=O)N(Cc2cccnc2)C2CCN(C)CC2)c(C)s1 97797786 KGENXUNLRDPQBS-UHFFFAOYSA-N 344.484 2.892 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@H]1COc2ccccc2C1 95503104 BWOXMSBUQJKBJZ-MRXNPFEDSA-N 349.390 2.946 0 50 EFAA CCC[C@@H]1CN(Cc2nn(C)c3cccc(Cl)c23)C[C@H]1NC(C)=O 95522634 ABGKGGCCOUBHTI-UKRRQHHQSA-N 348.878 2.963 0 50 EFAA Cn1cc([C@H](NC(=O)NC(C)(C)CC(C)(C)C)[C@H]2C[C@H](O)C2)cn1 244794671 QRHNFYHJOSVRFU-BPLDGKMQSA-N 336.480 2.746 0 50 EFAA Cc1cccn2c(CC(=O)N[C@H](c3ccccc3)[C@H]3C[C@@H](O)C3)cnc12 244715882 LDXSRMLCOWMDDH-IMFGXOCKSA-N 349.434 2.814 0 50 EFAA Cc1[nH]nc(CCC(=O)NCC2(c3ccccc3)CCOCC2)c1C 244764030 PABGNRCIDXMUCG-UHFFFAOYSA-N 341.455 2.824 0 50 EFAA C[C@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)C1CCCC1 184667796 FGAOQKWOZKSSGX-NSHDSACASA-N 337.374 2.932 0 50 EFAA Cn1ccnc1[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1ccccc1 299782975 NQNUDNZGQDLZAU-QGZVFWFLSA-N 349.438 2.552 0 50 EFAA C[C@@H](CN)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 299768165 JVXOTLYPFPWFHB-KRWDZBQOSA-N 325.456 2.735 0 50 EFAA CCCNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H]2CCOC2)c1 299755356 HVGVBSAKVDRIBB-LLVKDONJSA-N 339.823 2.638 0 50 EFAA CC(C)(C)c1ccc(OCc2n[nH]c(CN3CCOCC3)n2)cc1 822264259 JUEQPOMAJSJBCR-UHFFFAOYSA-N 330.432 2.513 0 50 EFAA COc1ccc(CN(C)[C@H](C)c2ccncn2)cc1Cn1cccn1 824722613 BMRONSHINACPPG-OAHLLOKOSA-N 337.427 2.923 0 50 EFAA Cc1noc(C)c1CC(=O)NCCOc1cccc2cccnc12 827846919 LYZIEWZCAOCTRX-UHFFFAOYSA-N 325.368 2.577 0 50 EFAA Cc1coc2ccc(NC(=O)Cc3nc(C4CCOCC4)n[nH]3)cc12 1333201065 BUGRQRQAVPVRMG-UHFFFAOYSA-N 340.383 2.935 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NC[C@@H]3CC(=O)N(C4CC4)C3)c2c1 1334982028 KCDAJRCPRQOVSH-NSHDSACASA-N 345.830 2.742 0 50 EFAA COc1ccc(C(C)C)cc1S(=O)(=O)N(C)Cc1c[nH]nc1C 952979723 FKLWMLOZPUQMJE-UHFFFAOYSA-N 337.445 2.671 0 50 EFAA CC[C@H](C)n1ncc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c1C 408395500 NCWRDQUGJRNXNS-DCGLDWPTSA-N 336.436 2.574 0 50 EFAA COc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1F 408469350 FEUQFGNXLOFMAB-CQSZACIVSA-N 332.379 2.557 0 50 EFAA O=C1[C@@H]2CCC[C@@H]2N1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 170650412 LCTSHROMAGXMNJ-BDAKNGLRSA-N 330.272 2.772 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 187491874 MPFUIRPLIRAZBB-HUUCEWRRSA-N 343.431 2.703 0 50 EFAA O=C(CC1CCC2(CC1)OCCO2)N1CCOc2ccc(F)cc21 191190941 PMRXMVHEVJUNFD-UHFFFAOYSA-N 335.375 2.875 0 50 EFAA CCOc1ccc(NC(=O)CN(C)Cc2ccc(OC)nc2)cc1 677473668 CZLBWJVMPRBHKJ-UHFFFAOYSA-N 329.400 2.559 0 50 EFAA Cc1cc(NC(=O)N[C@H](C)C[S@@](C)=O)cc(C)c1Br 192419033 GSFHZFYPPKSGBO-GIGQVBGESA-N 347.278 2.954 0 50 EFAA CCO[C@@H]1C[C@H](Nc2cnn(-c3ccncc3)c2)C12CCOCC2 681108375 ARTXRGACCCFDCF-DLBZAZTESA-N 328.416 2.653 0 50 EFAA Cc1csc(N2CCN(CC[S@@](=O)c3ccccc3)C[C@@H]2C)n1 199166838 AVPVEXVAHRKPHZ-NPMXOYFQSA-N 349.525 2.770 0 50 EFAA CN(Cc1ccc(F)c(F)c1)c1cc(N2CCC(C)(O)CC2)ncn1 663381291 LBZOZEJKRDWINV-UHFFFAOYSA-N 348.397 2.742 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C)Cc1ncccc1C 1506417539 NKVWXWDMMNPOFV-HNNXBMFYSA-N 348.468 2.925 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3oc4ccccc4c3C)C[C@H]2O)n[nH]1 1529167991 SVUBSUKEGVDJPF-RHSMWYFYSA-N 325.412 2.808 0 50 EFAA Cc1c(NC(=O)c2cccc3c2CCC3=O)c(N2CCCC2)nn1C 1529162138 XHCADMYTPIDDCI-UHFFFAOYSA-N 338.411 2.710 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2cc(Br)cs2)C1 237523881 AWQQOWGGIIFIPW-CYBMUJFWSA-N 346.246 2.766 0 50 EFAA COc1c(F)cccc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772819532 NUEWCHXQTNYEKB-UHFFFAOYSA-N 337.354 2.973 0 50 EFAA CCC(=O)N1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 11782820 GRYPMXMUIRNFDV-UHFFFAOYSA-N 328.334 2.676 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 11838992 VSZLSCQATVYWEU-QGZVFWFLSA-N 328.456 2.789 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 12475830 KCENNSCNUMLSAJ-HNNXBMFYSA-N 343.427 2.532 0 50 EFAA Cc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1 12866173 CIBLAOJPPDFVED-UHFFFAOYSA-N 337.423 2.635 0 50 EFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc12 13942783 XTSQBPYKRQYRGP-SQNIBIBYSA-N 337.423 2.568 0 50 EFAA COc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3)CC2)c1 19551571 SSJSFVKROCZYHL-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA COC(=O)Cn1c(=N)n(Cc2ccc(Cl)cc2)c2ccccc21 19757723 FNFJUNODWVNTBN-UHFFFAOYSA-N 329.787 2.797 0 50 EFAA CCc1nc(C)c(CNC(=O)c2c3c(nn2CC)[C@H](C)O[C@H](C)C3)o1 1857528314 YKMMRLLXUHPBSB-PWSUYJOCSA-N 346.431 2.714 0 50 EFAA COc1ccc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cn1 1857683273 TXIPVPJWTOVJIM-UHFFFAOYSA-N 347.422 2.874 0 50 EFAA CCn1cc([C@@H]2CSCCN2C(=O)c2cc(Cl)cn2C)cn1 408514537 LAIFENPWDJTCHY-AWEZNQCLSA-N 338.864 2.825 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@H]2CCOC2)ncn1 328639450 PMZGJHFOPSCHDV-VKJFTORMSA-N 334.464 2.565 0 50 EFAA O=C(O)c1cnn(C2CCN(C(=O)CCc3ccccc3F)CC2)c1 653674326 OSEJMCWFUVEGHA-UHFFFAOYSA-N 345.374 2.517 0 50 EFAA O=C(CCc1ccccn1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 358036822 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333.395 2.517 0 50 EFAA C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)Cc1ccccc1C(F)(F)F 1875270309 ADFCQHKEXKDNEK-WZRBSPASSA-N 342.361 2.749 0 50 EFAA CN(CC1CC1)c1cc(C(=O)N2CC(C)(C)[C@H](O)C2(C)C)ccn1 1875302167 CJFUMPWZVIVTHM-KRWDZBQOSA-N 331.460 2.549 0 50 EFAA O=C(N=[S@]1(=O)CCC[C@@]2(CCCN2)C1)c1cncc2ccccc12 1875393127 GXYXRQZQQPOQQJ-UUOWRZLLSA-N 343.452 2.759 0 50 EFAA COc1ccc2[nH]cc([C@@H](C)CNC(=O)[C@H](O)c3cccnc3)c2c1 1875302291 JCWLJWVMQAQPHZ-KPZWWZAWSA-N 339.395 2.525 0 50 EFAA C=CC(=O)N(Cc1cccc(F)c1Cl)C[C@@H]1C[C@@H]2COC[C@@H]2O1 1875388567 GYUDXVIZMRPMPC-IPYPFGDCSA-N 339.794 2.798 0 50 EFAA CS(=O)(=O)c1cc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cs1 885222568 GRRYNDAYIZKWTJ-TZMCWYRMSA-N 339.482 2.802 0 50 EFAA C[C@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)Cc2ccccc2O1 886078526 ZLZOTSHFPLOLMX-ZDUSSCGKSA-N 341.411 2.727 0 50 EFAA C[C@@H]1CN(C)C[C@H](c2nnc(-c3cccc(-c4cnn(C)c4)c3)o2)O1 888079001 UZQGEBNLFNUUOM-MLGOLLRUSA-N 339.399 2.529 0 50 EFAA CC(C)(C)c1cc(Cn2cc([C@@H]3OCCC[C@H]3C(=O)O)cn2)no1 888076398 GEPPUNNZWNYCHJ-HIFRSBDPSA-N 333.388 2.769 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)n2ncnc2n1 895673547 DRUVCMZZVQBMEI-GFCCVEGCSA-N 340.456 2.762 0 50 EFAA C[C@@](O)(CNc1nc(C2CCOCC2)ns1)c1cccc(F)c1 895744910 YWAMSDJWCSEEQC-MRXNPFEDSA-N 337.420 2.891 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2noc3c2CCCC3)C1 1775957047 APTKEQFNRAAZGM-GOEBONIOSA-N 343.427 2.617 0 50 EFAA CN(C)c1nc2ccc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2[nH]1 1775989136 FECFITMDHFSAED-INIZCTEOSA-N 338.415 2.719 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1c(F)cccc1F 4788764 VSCZTRWWNDMEEN-UHFFFAOYSA-N 346.333 2.690 0 50 EFAA O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)Nc1cnsc1 2325763068 SVLZNHXFFJNAFI-UHFFFAOYSA-N 346.437 2.913 0 50 EFAA CN(c1ccccc1)c1ccc(CN[C@@H]2CCc3nn[nH]c3C2)cn1 2325777459 CRZLYCJLCCDSDX-OAHLLOKOSA-N 334.427 2.615 0 50 EFAA COc1ccc(C(=O)CCC(=O)OC[C@H]2CCC(=O)O2)c(Cl)c1 2325783961 OEPXTQNHYVONRD-LLVKDONJSA-N 340.759 2.560 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2cnn(C3CCCCC3)c2)CC1 2325788180 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CCC[C@@]1(CO)CN(Cc2[nH]c3ccc(OC)cc3c2C)CC[C@@H]1O 2356151303 CFDUVEPLGWWSGY-PMACEKPBSA-N 346.471 2.830 0 50 EFAA COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)c1 4705126 GOIZOJQOPRTFRX-UHFFFAOYSA-N 342.395 2.842 0 50 EFAA CN(Cc1ccccc1)[C@]1(O)C(=O)Nc2ccc(Br)cc21 4841906 RTWXVWBOZULKDS-MRXNPFEDSA-N 347.212 2.678 0 50 EFAA CC(C)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 4865903 NEMKEBBVTCUHPA-UHFFFAOYSA-N 341.864 2.646 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(CC)n[nH]2)cc1 6574011 OOVLJKCSGRKGFW-JTQLQIEISA-N 348.428 2.663 0 50 EFAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 6744094 JYRDHEKLUZQXDF-UHFFFAOYSA-N 338.473 2.775 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)C[C@H]2CCO)cc1C 104471532 BRULIKZQAVOVMS-LJQANCHMSA-N 332.488 2.815 0 50 EFAA COc1ccc([C@H](NC(=O)CN(C2CC2)C(C)(C)CO)C(C)C)cc1 225571046 FZPXECFAPZDEGA-LJQANCHMSA-N 348.487 2.744 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 348249668 VEURFCIRIYCGRJ-RTBURBONSA-N 343.398 2.719 0 50 EFAA Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H]1c1ccncc1 225847421 MLFSSMCLOLOLMY-SFHVURJKSA-N 334.423 2.778 0 50 EFAA CC[C@@H](C)c1ccccc1OCC(=O)NCc1cncn1CCOC 55073267 SWNZUXMRNQXWNY-OAHLLOKOSA-N 345.443 2.738 0 50 EFAA O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N1CC[C@H](N2CC=CC2)C1 136385640 WIKQLQGMZMTOIH-WFXMLNOXSA-N 337.467 2.546 0 50 EFAA CCOc1ccc(CCc2nc3c([nH]2)CCCNC3=O)cc1OCC 65369766 YEKDLYBYHFMGFD-UHFFFAOYSA-N 343.427 2.668 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NCc3nnc4n3CCC4)c2c1 65370229 NYTLAAOOAXJXTA-UHFFFAOYSA-N 335.411 2.573 0 50 EFAA CN(CCn1ccc2cc(Cl)ccc21)C1CCN(CCO)CC1 351489309 IDIFSODGUYPOOW-UHFFFAOYSA-N 335.879 2.683 0 50 EFAA CN(Cc1ccccc1-n1cccn1)C(=O)c1cn2ccccc2n1 67843501 HVTOKYGNMSESAW-UHFFFAOYSA-N 331.379 2.792 0 50 EFAA O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 112705 MFTFVSWXBMFECY-CQSZACIVSA-N 339.800 2.834 0 50 EFAA CN1CCC(CN(C)C(=O)c2cnc(-c3ccccn3)s2)CC1 171561703 BOICXOCMYVQVEH-UHFFFAOYSA-N 330.457 2.619 0 50 EFAA Cc1[nH]nc(C(C)C)c1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 328613496 SELPKSXAJMOPBH-GFCCVEGCSA-N 347.419 2.562 0 50 EFAA Cc1nc(COc2ccc(CN(C)C[C@H]3CCCOC3)cc2)no1 119803939 MWTUSZQMSHSQNM-MRXNPFEDSA-N 331.416 2.815 0 50 EFAA Cc1nc(NC(=O)[C@@H](C)N2CCC[C@@H](n3ccnc3C)C2)sc1C 229511381 MCEARVOLXNXIQS-IUODEOHRSA-N 347.488 2.929 0 50 EFAA C[C@@H]1CN(CCNC(=O)N2CCC[C@H]2c2cccs2)C[C@@H](C)O1 229805414 OPXJJASSVKSGBY-KFWWJZLASA-N 337.489 2.704 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 229935319 WJWGMIFOMMTEGH-QGPMSJSTSA-N 342.439 2.554 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N(Cc1cccnc1)C[C@@H]1CCNC1 328631908 KXUNJTGOGQQSIS-QGZVFWFLSA-N 335.451 2.822 0 50 EFAA Nc1cc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)ccn1 77389462 BVPKHBQSYNELJQ-MRXNPFEDSA-N 325.412 2.997 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(C(N)=O)CCOCC1 281146302 GGCMMHQQGIQYCY-GFCCVEGCSA-N 344.377 2.508 0 50 EFAA O=C(NCC1(O)CCCCC1)c1cc(COc2cccc(F)c2)[nH]n1 11933573 OCUPDRFAFVKVTC-UHFFFAOYSA-N 347.390 2.553 0 50 EFAA COc1cc(C(C)=O)ccc1S[C@H]1CCN(c2cnn(C)c2)C1=O 123464008 FDHROTYHTMLRII-INIZCTEOSA-N 345.424 2.529 0 50 EFAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 72447398 SUUFDEAHISMOER-ZWKOTPCHSA-N 330.472 2.699 0 50 EFAA Cn1nc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c2ccccc21 326499228 ZNRFTSNEZSCZRX-GFCCVEGCSA-N 329.400 2.536 0 50 EFAA CCSCc1ccccc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 253430661 KOZXVUQESYUOEO-CRAIPNDOSA-N 348.512 2.732 0 50 EFAA C[C@@H]1CN(Cc2ccn(CC(F)(F)F)n2)CCN(C2CCC2)C1 451052905 GCAIRDDLQWKJBO-CYBMUJFWSA-N 330.398 2.752 0 50 EFAA Cn1ccc(N2CCC[C@@H](Oc3ccc4c(c3)CCCC4=O)C2=O)n1 150949491 BJKLEUHAMDWEIG-QGZVFWFLSA-N 339.395 2.514 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 153357999 QRRWKEMUGKZDGF-QAPCUYQASA-N 331.460 2.699 0 50 EFAA COCc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 72441451 QYVNJKIIUMDJOY-UHFFFAOYSA-N 340.423 2.918 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N1CCCN(Cc2ccncc2)CC1 77288052 UPFZTEACECCLGX-UHFFFAOYSA-N 335.451 2.918 0 50 EFAA Cc1ccccc1-c1nc(CN2C[C@H](O)[C@@H](OC(C)C)C2)c(C)o1 71762505 HGOHELWRZAIBNI-ROUUACIJSA-N 330.428 2.929 0 50 EFAA CCCc1ncncc1C(=O)N(CCN(C)C)Cc1ccc(C)cc1 215409585 SMSAKDDXRFZNAP-UHFFFAOYSA-N 340.471 2.942 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CCCO1 172250140 OVLRPQRZDDRXNK-JKSUJKDBSA-N 347.459 2.723 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)C[C@@](C)(O)c2ccccc2)CC1 375962008 DYNCVNLHNLFQQR-LJQANCHMSA-N 327.428 2.722 0 50 EFAA CN(CC1CC1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 490948847 SGIOOPMAQQSQIK-AWEZNQCLSA-N 325.453 2.685 0 50 EFAA COc1ccc(N2CCN(Cc3cccc(C)n3)[C@H](C)C2=O)cc1 72159345 JMPIALZBOUHVQD-OAHLLOKOSA-N 325.412 2.636 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)c2ccc(C)c(C)c2)n1 72117588 AACGEPMHVZTJCQ-UHFFFAOYSA-N 327.432 2.676 0 50 EFAA CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)N)c1Br 236813757 JEWGHECNMKSWBS-UWVGGRQHSA-N 343.269 2.638 0 50 EFAA CC(=O)N1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 334064716 NURFWMQDJZYHHE-ZFWWWQNUSA-N 335.423 2.787 0 50 EFAA COc1cccc(CC(=O)N2C[C@H](O)C[C@H]2c2cccc(OC)c2)c1 282646540 XMWHPTIVMBHWQZ-APWZRJJASA-N 341.407 2.581 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 337239824 FAULZPMNLCPMCI-OWCLPIDISA-N 345.361 2.947 0 50 EFAA C[C@@H]1COCCN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 240412709 FNVHDIYXAORBGE-IIAWOOMASA-N 337.489 2.561 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)C1CCC(F)(F)CC1 241157246 JWCICLHRCMFYLH-HNNXBMFYSA-N 336.382 2.729 0 50 EFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(C)on1 174904714 ASVLRDGFISTSAU-UHFFFAOYSA-N 328.416 2.757 0 50 EFAA CC1=CCN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC1 426597411 NIHQZDRSCOJPHS-UHFFFAOYSA-N 326.421 2.979 0 50 EFAA COc1cccc([C@H]2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)C2)c1OC 426623017 PYSKGBUPUFUDNK-KKUMJFAQSA-N 348.443 2.506 0 50 EFAA CCc1nc(CN2CCN(Cc3cccc(C(=O)O)c3)CC2)cs1 263507136 XLRUJGSBWMPZGQ-UHFFFAOYSA-N 345.468 2.722 0 50 EFAA Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)cc1 426596471 IZUPHIBIDSJQRD-OAHLLOKOSA-N 328.416 2.943 0 50 EFAA CC[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(F)cc1F 160741252 RBMAUMDYDZIINE-INIZCTEOSA-N 346.381 2.859 0 50 EFAA CC(C)N1C[C@@H](n2ccnc2-c2ccc3c(c2)OCCO3)CC1=O 82127823 ZZSJBNZBWRAXOT-AWEZNQCLSA-N 327.384 2.503 0 50 EFAA COc1cc(CN2CCC(CO)(CN3CCCC3)CC2)ccc1F 222467783 WHJLPPSUXFAXAB-UHFFFAOYSA-N 336.451 2.505 0 50 EFAA CC1(CNC(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)COC1 426653024 WCQHKJJVHYIWOC-INIZCTEOSA-N 332.444 2.925 0 50 EFAA CC(C)N1CCC(NC(=O)N(C)Cc2cnc3ccccc3n2)CC1 426370463 KXIWWUNJXXUPTF-UHFFFAOYSA-N 341.459 2.644 0 50 EFAA C[C@@]1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCCC[C@H]1O 178288525 CHLCEGJMZRVUBM-WBMJQRKESA-N 337.420 2.662 0 50 EFAA O=C(c1ccnn1C1CCCC1)N1CCC(c2ccncn2)CC1 333983348 DMGZYYMVTOQBQV-UHFFFAOYSA-N 325.416 2.808 0 50 EFAA O=C(c1cc(-c2ccco2)on1)N1CC[C@@H](n2cc(Cl)cn2)C1 290790938 SYMHQKVFUKPMTB-LLVKDONJSA-N 332.747 2.872 0 50 EFAA O=C1CCCCCCCN1CC(=O)N1CC(Oc2ccc(F)cc2)C1 95512096 UBNJJDZRDSBAHR-UHFFFAOYSA-N 348.418 2.598 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3oc(C)cc3c1)C2 97173074 DJIWSNBWULEWMW-WMLDXEAASA-N 326.396 2.824 0 50 EFAA 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2.752 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(F)c(Cl)c1)C2 1565526344 RCACBFGZHYKXOM-JSGCOSHPSA-N 340.826 2.662 0 50 EFAA Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2cnn(C)c2)cc1 170077846 RGFYSMLILFRJBN-MSOLQXFVSA-N 347.484 2.603 0 50 EFAA CN1C(=O)N([C@H]2CCOC3(CCC3)C2)C(=O)[C@@H]1Cc1ccccc1 278209055 VYTBWBCLODCMCL-HOTGVXAUSA-N 328.412 2.593 0 50 EFAA C[C@@H](C(=O)Nc1cccc(Cl)c1Br)n1cncn1 170610865 LRYFHHJOYZGSPF-ZETCQYMHSA-N 329.585 2.894 0 50 EFAA CCn1c(CSc2nc(C(=O)OC)c[nH]2)nc2cc(F)ccc21 170617989 ZTEPKKPODHIXMP-UHFFFAOYSA-N 334.376 2.997 0 50 EFAA CC(C)CN(C(=O)c1ccc(-c2ncn[nH]2)cc1)C1CCN(C)CC1 185653611 IBCWUEXVSLIQMN-UHFFFAOYSA-N 341.459 2.664 0 50 EFAA O=S1(=O)CCN(Cc2nc(C3CCCC3)no2)Cc2ccccc21 186546179 RWAYBVZZNQCQAS-UHFFFAOYSA-N 347.440 2.517 0 50 EFAA Cc1cc(C(C)C)nc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 186861530 CIOBVCVONSTFKY-UHFFFAOYSA-N 329.448 2.835 0 50 EFAA Cc1nc(CN2CCC(CN[C@H](C)c3ccnn3C)CC2)oc1C 192856239 FVIIOVCNZFGZIH-CQSZACIVSA-N 331.464 2.588 0 50 EFAA O=C(c1cccs1)N1CCN(C(=O)c2cccc3c2CCC3)CC1 194322153 IYCFIDGAYPDUSP-UHFFFAOYSA-N 340.448 2.835 0 50 EFAA COc1ccc2c(c1NC(=O)N1CC[C@@H](c3n[nH]c(C)n3)C1)CCC2 669367521 YKCGEZJHWDIURW-CYBMUJFWSA-N 341.415 2.632 0 50 EFAA CCCC(=O)N1CCC[C@H](c2nc(-c3ccc(C)nc3O)no2)C1 771135929 SSORLLSNLGZGOC-LBPRGKRZSA-N 330.388 2.652 0 50 EFAA c1ccc(CN2CCCO[C@@H](CNc3ncnc4cc[nH]c34)C2)cc1 1772806270 ATQHCHORDPHLOB-INIZCTEOSA-N 337.427 2.661 0 50 EFAA O=C1CCN(C[C@@H]2CCOC2)CCN1CCCCc1ccccc1 1506401264 PVDMDFRYBHNPMX-IBGZPJMESA-N 330.472 2.580 0 50 EFAA O=C1C[C@@H](C(=O)N2CCOc3ccc(Cl)cc3C2)C2(CCCC2)O1 1506395555 KMBVSGIYCUHUAK-AWEZNQCLSA-N 349.814 2.937 0 50 EFAA COc1cc2c(cc1CN1C[C@H](O)[C@H](Cc3cc(C)no3)C1)CCC2 1529093979 DIASMTMBQOPJNG-APWZRJJASA-N 342.439 2.516 0 50 EFAA O=C(CC1CC1)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 211685991 PMUKABQGWVPMJL-CVEARBPZSA-N 348.830 2.714 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1C(C)C 222033561 MQOUAEKLWRIOCX-MSOLQXFVSA-N 334.435 2.768 0 50 EFAA COc1cccc(-n2c(SCC(=O)O)nnc2-c2ccccn2)c1 145616649 GBVQSAZHPCDBDY-UHFFFAOYSA-N 342.380 2.515 0 50 EFAA in-vitro CCc1cc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)on1 1704314823 VCQJMTIZBKPKCA-IBGZPJMESA-N 341.459 2.573 0 50 EFAA COCCC1CCN(c2nnc([C@H](N)Cc3ccccc3)o2)CC1 1772704087 OWKUPGRPIKFBRQ-MRXNPFEDSA-N 330.432 2.565 0 50 EFAA CSc1cccc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 1772816284 MKDIWRNCZLOZSS-KRWDZBQOSA-N 334.485 2.622 0 50 EFAA COC(=O)c1cc(I)ccc1Br 5719953 ADOJHDXDOIEMNB-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro O=C(c1cnsn1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 12242604 BACASDKIRFTEFU-UHFFFAOYSA-N 339.424 2.948 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 13745537 YFNPKGKNRBORCG-GFCCVEGCSA-N 326.418 2.818 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1F)CCCC2 169752780 GBJZPGHQSBXVIK-UHFFFAOYSA-N 334.322 2.724 0 50 EFAA C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1c1ccc(F)cn1 1857672229 CXGZLEKYCLXTNY-CQSZACIVSA-N 343.402 2.703 0 50 EFAA C[C@@]1(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CCCCO1 1857672901 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343.362 2.961 0 50 EFAA CN(Cc1cnccn1)C(=O)c1cc(Br)cnc1C1CC1 933107624 OAGNGLBTLHYCIU-UHFFFAOYSA-N 347.216 2.784 0 50 EFAA COCCOc1cccc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c1 863948251 DLRQNOVMQNFBLB-QGZVFWFLSA-N 345.399 2.860 0 50 EFAA CC(C)N(Cc1cccnc1)S(=O)(=O)C[C@H]1CCC2(CCC2)O1 1875288662 TYDLSOCSSMSGCP-MRXNPFEDSA-N 338.473 2.724 0 50 EFAA COc1ccc2c(N[C@H]3CCN(c4cnn(C)c4)C3)cc(C)nc2c1 1875294358 GBDXTNHQLHWMGS-AWEZNQCLSA-N 337.427 2.976 0 50 EFAA O=C(NCc1cscc1Br)[C@@H]1CCc2c[nH]nc21 1875297249 IHXIIOZMCOZBCN-SECBINFHSA-N 326.219 2.580 0 50 EFAA c1cn(-c2ccnc(NC3CCC(N4CCCCC4)CC3)n2)cn1 1875273582 MERQBPBOURDYHG-UHFFFAOYSA-N 326.448 2.871 0 50 EFAA O=C(NC[C@]1(F)CC[C@H](CO)CC1)[C@@H]1CCc2cc(F)ccc2O1 1875310622 WARPIEWFWGTYNC-IWEFOYFVSA-N 339.382 2.526 0 50 EFAA CO[C@H](C)c1cn(-c2cccc(CNC(=O)[C@@H]3C=CCC3)c2)nn1 1875323443 IYXQHIOUKWTYJP-UKRRQHHQSA-N 326.400 2.557 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cccc(Oc3ccncc3)c2)cn1 1875381166 MFJIZFHEFFXTGK-QMHKHESXSA-N 336.395 2.871 0 50 EFAA Cc1ncc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C)n1 886079919 CILYNNFRCDENMW-HNJNHCNJSA-N 329.448 2.645 0 50 EFAA CC(=O)N1CC(OCc2nnc([C@H](C)Cc3ccccc3Cl)o2)C1 888076719 PMZXKULXYLXMIF-LLVKDONJSA-N 349.818 2.817 0 50 EFAA Cc1cc(Cn2nnnc2N2CCC([C@@H]3CCCO3)CC2)ccc1F 1771986767 VCSQGSXBNZEHJG-KRWDZBQOSA-N 345.422 2.564 0 50 EFAA O[C@]1(Cc2ccc(F)cc2)CCN(Cc2ncc(C(F)(F)F)[nH]2)C1 1775987238 RUWRRWRDPPISKD-HNNXBMFYSA-N 343.324 2.747 0 50 EFAA CN1CCN(c2nc3ccccc3nc2N)C[C@H]1Cc1ccccc1 2325857490 DGSUEOCJZMJMLR-MRXNPFEDSA-N 333.439 2.575 0 50 EFAA COc1ccc(CC(=O)NC[C@H]2OCCc3ccccc32)cc1OC 118823 HTFQGTQZATVHEP-LJQANCHMSA-N 341.407 2.677 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1C 470429 QVSAQRHPIVERKP-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2 559953 QRNRUHIULHOBPC-UHFFFAOYSA-N 346.408 2.605 0 50 EFAA CCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C 816465 JXQNCOPBCLMXMO-UHFFFAOYSA-N 334.441 2.884 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3C[C@H]4C[C@@]4(CO)C3)ncnc21 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O=S(=O)(c1ccc(N2CC[C@H](N3CCCC3)C2)cc1)C(F)(F)F 170710261 QMKLZTCKPWBIOH-ZDUSSCGKSA-N 348.390 2.655 0 50 EFAA CCS(=O)(=O)c1ccc([C@H](C)Nc2ncnc3onc(C)c23)cc1 672298851 MHUAUSZGHCSJAD-JTQLQIEISA-N 346.412 2.893 0 50 EFAA Cc1ncc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c(N)n1 673162449 HZKQYYWWDNBICM-UHFFFAOYSA-N 332.354 2.665 0 50 EFAA O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1noc(C2CC2)n1 194684793 YPVSBXNEZBZLOJ-UHFFFAOYSA-N 331.756 2.681 0 50 EFAA CSC1(CNC(=O)NC2CCC(O)(c3cccnc3)CC2)CCC1 195079833 LCCZUZRGPCAGAV-UHFFFAOYSA-N 349.500 2.797 0 50 EFAA O=C(c1cccc(F)c1F)N1CCCN(C[C@H]2CCCOC2)CC1 981841351 KXELPDHPMWHOSK-CQSZACIVSA-N 338.398 2.539 0 50 EFAA c1ccc(CN2CCN(CCNc3cc(C4CC4)ncn3)CC2)cc1 91952352 LBEBISWHSPACPG-UHFFFAOYSA-N 337.471 2.584 0 50 EFAA Cc1ccc(C2(O)CCN([C@@H]3CCN(c4ccccc4)C3)CC2)nc1 1506417796 LFQAGZUKABCSLQ-LJQANCHMSA-N 337.467 2.952 0 50 EFAA Cc1noc([C@@H](C)NS(=O)(=O)c2cc(Cl)sc2Cl)n1 330438452 SERNZJCJUMYWQK-SCSAIBSYSA-N 342.229 2.786 0 50 EFAA N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1 36412254 GIBMTDKHCXCSNA-ZIAGYGMSSA-N 344.358 2.867 0 50 EFAA O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 11865984 XMYQHFUQSGHSOR-CQSZACIVSA-N 348.358 2.785 0 50 EFAA C[C@@H](O)CNCc1ccc(OCc2ccc3c(c2)OCCO3)cc1 12383518 WAAVZSRHCGVNEU-CQSZACIVSA-N 329.396 2.507 0 50 EFAA CCn1cc(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccc(C)nc21 12409471 YPWIPGOKEZECJE-UHFFFAOYSA-N 347.378 2.853 0 50 EFAA Cc1cccc(-c2ncc(-c3nccn3C[C@H]3CC(=O)N(C)C3)cn2)c1 1857678694 KZMUIPCKPIMFER-HNNXBMFYSA-N 347.422 2.794 0 50 EFAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1ncnn1CC(F)F 225614238 YDOYTEXLBFMEFZ-IGCXYCKISA-N 336.386 2.894 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 112387122 XDSBHBOTJSACQM-XJKSGUPXSA-N 341.386 2.991 0 50 EFAA CCC[C@@H](NC(=N)O)C(=O)N1CCc2c(Br)cccc21 331249189 XYGNWJAFJQMUNQ-LLVKDONJSA-N 340.221 2.589 0 50 EFAA C[C@@]1(C2CC2)CN(CCOc2ccc(C(=O)O)cc2Cl)CCO1 656758416 XVRFDCMAZNEOOZ-KRWDZBQOSA-N 339.819 2.918 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)c3cncc4ccccc34)CC2)CCO1 371462995 NQNSJMWXPWAWBU-OAHLLOKOSA-N 339.439 2.560 0 50 EFAA O=C(CCCOc1ccccc1Cl)N1CC(F)(F)C[C@H]1CO 372545050 HTFVBZMLMMBKQW-NSHDSACASA-N 333.762 2.728 0 50 EFAA COC1(C(=O)N2CCN(c3cccc(F)n3)CC2)CCCCCC1 821447990 NAWLKQRJYVIXKW-UHFFFAOYSA-N 335.423 2.609 0 50 EFAA O=C(COc1ccc(F)c(F)c1)N[C@@H]1CCc2cc(O)ccc2C1 935672180 QAQLUPSMGXAHAU-CYBMUJFWSA-N 333.334 2.723 0 50 EFAA C[C@@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(OCC(=O)O)c1 952852409 LUIHGXJMACDFIU-SCLBCKFNSA-N 339.391 2.950 0 50 EFAA O=C(O)C[C@@H]1CC[C@@H]2CN(C(=O)c3cccc4c[nH]nc34)CC[C@H]2C1 1875291805 LZSYFYHVNOKOPO-VNHYZAJKSA-N 341.411 2.916 0 50 EFAA O=C(Nc1c[nH]nc1C1CC1)c1cnn2c1NCC[C@H]2C(F)(F)F 1875285536 QBZLGEPKIHIKNR-JTQLQIEISA-N 340.309 2.655 0 50 EFAA COC(=O)N1CCC[C@H](NC(=O)c2cc3ccc(SC)cc3[nH]2)C1 1875321904 ANFPBGZIXOXBIM-LBPRGKRZSA-N 347.440 2.850 0 50 EFAA Cn1[nH]c(=NC(=O)CC23CCCN2CCC3)cc1-c1ccc(F)cc1 1875322191 LFVOZHPWUHBGLE-UHFFFAOYSA-N 342.418 2.605 0 50 EFAA CC1(C)CC[C@H](CCNC(=O)Cc2cn3cc(F)ccc3n2)OC1 887410523 PQHPLFIISIWLEZ-OAHLLOKOSA-N 333.407 2.727 0 50 EFAA O=C(c1n[nH]cc1F)N1CCC(c2ccccc2)(N2CCCC2)CC1 887609299 HUIFKOZQSCBLHL-UHFFFAOYSA-N 342.418 2.776 0 50 EFAA CCOCc1cccc(NC(=O)Nc2ccc(CO)c(CO)c2)c1 887722114 MQHPQWIWPLIINF-UHFFFAOYSA-N 330.384 2.852 0 50 EFAA Cc1cc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cnc1C 893819576 YEDMDVDBNSWAMW-OKILXGFUSA-N 340.427 2.959 0 50 EFAA Cc1ocnc1CN(C)[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 1775998931 KVHXYNQPHSDONK-OCCSQVGLSA-N 333.457 2.881 0 50 EFAA Cc1nnc(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)s1 404803347 LKKIGIGAOVNQJI-GHMZBOCLSA-N 326.466 2.628 0 50 EFAA C[C@H]1CCN(Cc2ccccc2)CCN1Cc1cccc(C(N)=O)c1 363134647 JSIBOSCWOWYDLE-KRWDZBQOSA-N 337.467 2.882 0 50 EFAA O=C(O)C[C@H]1CN(Cc2ccc(C3CCC3)cn2)CC2(CCC2)O1 2325791914 IGUAANJNERDBJN-KRWDZBQOSA-N 330.428 2.947 0 50 EFAA C[C@H]1CNC[C@@H](CC(=O)Nc2ncc(-c3ccc(F)cc3)s2)O1 2325795607 PHXWZOSOOSDOHR-GXFFZTMASA-N 335.404 2.655 0 50 EFAA Cc1sc(CC(F)(F)F)nc1C(=O)N=c1[nH][nH]cc1C1CC1 2325796406 OCHVFZWDXASWPO-UHFFFAOYSA-N 330.335 2.831 0 50 EFAA COC1(CN(C)C(=O)[C@H]2CCCN(c3ccc(C)cn3)C2)CCC1 2325800220 XYTPVQZVRJFDGF-INIZCTEOSA-N 331.460 2.634 0 50 EFAA NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2ncnc3ccsc23)C1 2325863166 XYVPXSRHMNKSKS-SNVBAGLBSA-N 342.399 2.608 0 50 EFAA O=C(c1cnc(O)c2ccccc12)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356143323 CQKFMEGHNJYYRY-HXUWFJFHSA-N 348.406 2.784 0 50 EFAA CCCN1CCC[C@H](N=c2[nH]oc(-c3ccccc3)c2C(=O)O)C1 2356156650 LRAJEUSWRAFGDD-AWEZNQCLSA-N 329.400 2.748 0 50 EFAA COc1ccc(C)cc1Nc1nc(N)nc(CN2CCC(C)CC2)n1 4418011 RTFQZLMZWSOWDY-UHFFFAOYSA-N 342.447 2.746 0 50 EFAA CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccccc1 4867978 OICVMEDRLVVMNP-UHFFFAOYSA-N 346.452 2.898 0 50 EFAA NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 6858655 POVNZGGBCQROPB-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA Cc1noc(C)c1NC(=O)NCc1cccc(Cn2ccnc2)c1 348433473 HSIZHXOHZKZOCZ-UHFFFAOYSA-N 325.372 2.858 0 50 EFAA C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc2c(c1)CCCC2 225405315 MNMMTQFHYXINNX-GLJUWKHASA-N 337.485 2.735 0 50 EFAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(Br)c1 8708143 HXGCQRJRUHDKKD-UHFFFAOYSA-N 344.172 2.882 0 50 EFAA in-vitro CCn1ncnc1CN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280253904 CCIITXGDAAUHDS-FZMZJTMJSA-N 340.349 2.625 0 50 EFAA CCc1nc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 280216983 AKKGIBRNACUWAI-GXFFZTMASA-N 340.349 2.694 0 50 EFAA Cc1nc2[nH]c(CSc3nc4ccccc4s3)cc(=O)n2n1 100786094 XDVLKAZZVYQALR-UHFFFAOYSA-N 329.410 2.628 0 50 EFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1 59741052 XYOMFZCVKYCSGC-HNNXBMFYSA-N 334.435 2.769 0 50 EFAA CCCc1nc(CN(CC)C(=O)CCc2ccc3c(c2)OCO3)no1 55165782 BUOCAKVTFGOSIC-UHFFFAOYSA-N 345.399 2.732 0 50 EFAA CC[C@H](NC(=O)CCC(=O)NC1CCCCCC1)c1nc(C)no1 55108948 QGCGUHYAMKSHSK-AWEZNQCLSA-N 336.436 2.565 0 50 EFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20731617 UMUVQTGZJSVZDR-VQIMIIECSA-N 338.407 2.531 0 50 EFAA O=C(C1CCC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCCC1 100619319 KFXPJPSLWPMFSD-GQGLESIBSA-N 344.455 2.509 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CSc3ccncc3)CC2)n1 116668300 RXCMLEJIRNHFGL-UHFFFAOYSA-N 342.468 2.662 0 50 EFAA COC(=O)c1nn(Cc2nc(-c3ccco3)oc2C)c2c1CCC2 67605882 UKBDFBVUHFLXPM-UHFFFAOYSA-N 327.340 2.763 0 50 EFAA C[C@H](Cn1cncn1)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 247974379 FBPOAEWFHVEANG-ADEWGFFLSA-N 339.226 2.893 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@](O)(c2ccccc2)C1 65527586 AGSXCNDNGKKTII-FQEVSTJZSA-N 333.391 2.606 0 50 EFAA C[C@@H]1[C@@H](NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CCC[C@H]1C 248171296 WDBJCZVSBCMXLB-WWGRRREGSA-N 339.439 2.897 0 50 EFAA C[C@@H](O)CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67805084 SNYWXXDVUXWBNQ-LLVKDONJSA-N 334.803 2.683 0 50 EFAA Cc1cc(C)n2nc(CC(=O)N3CCC(C)(C)c4ccccc43)nc2n1 346173078 PHGVARDDSCGBDV-UHFFFAOYSA-N 349.438 2.998 0 50 EFAA O=C1CCC[C@H](Cc2nc(COc3ccc(F)c(Cl)c3)no2)N1 351134296 PWDYZCDTALLYHK-SECBINFHSA-N 339.754 2.652 0 50 EFAA Cc1oc2ccccc2c1CN1CCC[C@H]1c1nc(C(N)=O)no1 328654692 XQYXTNFQKSRJFU-ZDUSSCGKSA-N 326.356 2.560 0 50 EFAA CC[C@H](O)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 253415252 RUWMEWJZVCGBOC-FUHWJXTLSA-N 329.396 2.680 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2OC)c1 249026 BYDHNISDOBTOCN-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C 2781710 HNPHDVQNCDRKGS-UHFFFAOYSA-N 335.717 2.695 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(-n2cccn2)cc1 72147395 FCQOQABPKGABOJ-IBGZPJMESA-N 325.412 2.934 0 50 EFAA CO[C@@](F)(C(=O)Nc1cccc(Cl)c1C(=O)O)C(F)(F)F 3672553 HRJXQUCPJJNAFT-JTQLQIEISA-N 329.633 2.851 0 50 EFAA COc1ccc(CNC(=O)[C@H](OC(C)=O)c2c(F)cccc2F)cc1 4109930 SMXRUROVNPMIOW-QGZVFWFLSA-N 349.333 2.894 0 50 EFAA CCN1Cc2nc(OC)c(CNC(=O)CCC3CCCC3)cc2C1=O 71681274 DDHONIPXSMJXPJ-UHFFFAOYSA-N 345.443 2.653 0 50 EFAA Sc1nnc(Cc2ccccc2)n1-c1ccc2c(c1)OCCO2 6402895 PJTPOAATNMLIJW-UHFFFAOYSA-N 325.393 2.918 0 50 EFAA C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C1CCN(CC(F)F)CC1 281355557 VTWLZKIYEPEQON-CZUORRHYSA-N 340.414 2.592 0 50 EFAA FC(F)(F)c1cccc(C[C@H]2CN(CC3CCNCC3)CCO2)c1 71759146 POHBJJKMJVODQA-KRWDZBQOSA-N 342.405 2.948 0 50 EFAA O=C(CCN1Cc2ccccc2C1)N1CCC[C@](CO)(CC2CC2)C1 219558733 RMBOVPULVUQMJN-NRFANRHFSA-N 342.483 2.794 0 50 EFAA COC(=O)C1CCN(C(=O)NCCCc2cccc(Cl)c2)CC1 172022287 NJDXLHWMJLTRNA-UHFFFAOYSA-N 338.835 2.867 0 50 EFAA O=C1NCCN(C(=O)CSc2ccccc2)[C@@H]1c1cccs1 253430341 IZIBSAIHFDJLGN-OAHLLOKOSA-N 332.450 2.540 0 50 EFAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(C(=O)O)cc1F 358594317 PVGDQSAFWSXJFT-XMMPIXPASA-N 349.383 2.963 0 50 EFAA Cc1nn(CC(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c(C)c1C 72129806 MRRIZOTUFBEPGD-OAHLLOKOSA-N 341.411 2.523 0 50 EFAA O=C(c1ccncc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71771324 RYXXPKYJIVPZKK-XUVXKRRUSA-N 333.435 2.784 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 156148756 ZWMSMDMFLDDMHK-MNOVXSKESA-N 331.243 2.958 0 50 EFAA COc1ccc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)O)cc1F 261680125 MQCPCBSHIZZTNP-SFHVURJKSA-N 343.354 2.587 0 50 EFAA O=C(c1cccc(CO)n1)N1CCC[C@@H](COc2ccccc2F)C1 72480685 FNOMAKLDIGDUHC-CQSZACIVSA-N 344.386 2.644 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)c2c1CCC2 333127034 AKNYPNATZOAXMN-OAHLLOKOSA-N 326.400 2.675 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H]1CCNC1 237677975 IDEZBYONDOJROQ-JKIFEVAISA-N 343.471 2.661 0 50 EFAA Cc1cc(C)n(CCC(=O)N2CCCN(c3ccccc3C)CC2)n1 77340437 BCATYMPZLBSEEA-UHFFFAOYSA-N 340.471 2.937 0 50 EFAA CN(Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCCN(c2cccnn2)C1 378641463 YJWRPTZEKFSYMN-CQSZACIVSA-N 338.415 2.561 0 50 EFAA CC1(C)CN(C(=O)c2ccc(C(=O)O)nc2)CC[C@@H]1C(F)(F)F 450540811 BFSFWUKVPXXFGG-NSHDSACASA-N 330.306 2.830 0 50 EFAA Cc1ccc(S(=O)(=O)CC(=O)N(C2CC2)[C@H](C)C2CC2)c(C)c1 177518595 TYNISRPQIVUQJH-CQSZACIVSA-N 335.469 2.867 0 50 EFAA O=C(c1c(F)ccc(F)c1F)N1CC(O)(c2ccc(F)cc2)C1 241383416 MVEXOJYJXRLAEC-UHFFFAOYSA-N 325.261 2.587 0 50 EFAA COc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1F 241897302 TXMRIRPYJJAAHI-HZPDHXFCSA-N 333.407 2.656 0 50 EFAA CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@@H](Cc2ccccc2)C1 175345446 LOYMLBZDHQCFJT-ICSRJNTNSA-N 344.499 2.871 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)n1 82160653 DNAKJJMQWDHCPD-CQSZACIVSA-N 339.399 2.879 0 50 EFAA CC(C)(C)N1CC[C@@](F)(c2nc(CC(=O)Nc3ccccc3)no2)C1 289981737 ZVZACTZRRQICHA-SFHVURJKSA-N 346.406 2.920 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2ccco2)C1 176831302 QOKDUNLZGLCCGT-KRWDZBQOSA-N 325.368 2.538 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](C)c2nncn2C2CCCC2)n(C)n1 82147515 PWSNUKFRGZQLAK-GFCCVEGCSA-N 330.436 2.741 0 50 EFAA CC[C@@H](NC(=O)c1ccc(OC)c(OCCN)c1)c1ncccc1C 426389214 FDXOVCHAXVEXNW-OAHLLOKOSA-N 343.427 2.617 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1CC12CCNCC2 237681534 WNIDVRPFEDFIQC-INIZCTEOSA-N 341.455 2.559 0 50 EFAA O=C(NC1CCC1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 92078287 GEFMMOLQUVYUDP-CQSZACIVSA-N 334.847 2.790 0 50 EFAA CCN1CCC[C@H](N2CCc3[nH]nc(-c4cccc(OC)c4)c3C2)C1 20919853 GWMKYRJPYPFPGP-INIZCTEOSA-N 340.471 2.928 0 50 EFAA O=C1CCCN1CCC1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 95362198 YZLHRFRVJJXVIW-IBGZPJMESA-N 340.467 2.968 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(-n3cnnn3)cc1)CCC2 179471434 FFLCNUCKIWWFFL-IBGZPJMESA-N 347.422 2.707 0 50 EFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)c2cc(O)n[nH]2)C1 91650819 IMGRQDWMWHMSQI-GFCCVEGCSA-N 343.431 2.646 0 50 EFAA Nc1cc(NCCc2cn[nH]c2)nc(SCc2ccccc2)n1 95380181 LKMVDPHYXUFGTB-UHFFFAOYSA-N 326.429 2.729 0 50 EFAA CNc1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)ccn1 96167163 RMJQWMGNFAJUPW-UHFFFAOYSA-N 338.455 2.733 0 50 EFAA CSc1nccc(N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)n1 92061700 UHMCIAJNMVAWDE-GOSISDBHSA-N 346.500 2.818 0 50 EFAA CC(C)(C)c1oc(C(N)=O)cc1CN1C(=O)CC2(CCCC2)CC1=O 95518763 VVAILJLGJMOFFO-UHFFFAOYSA-N 346.427 2.885 0 50 EFAA CCc1nc(C)c(CNC(=O)CN(C)Cc2ccc(F)cc2)s1 244748741 ONIKYPPVQGVEII-UHFFFAOYSA-N 335.448 2.901 0 50 EFAA CC(C)Oc1cc(N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)ncn1 298876612 KNWILCTTYGLXLD-HUUCEWRRSA-N 325.416 2.822 0 50 EFAA COC(=O)[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 183819217 WDPFIZHMKWXMEW-CWCINCBISA-N 333.340 2.883 0 50 EFAA CC(C)C1(CNC(=O)N(C)Cc2nc(-c3ccncc3)no2)CC1 534639338 CTLWDPBIYJFWAF-UHFFFAOYSA-N 329.404 2.709 0 50 EFAA Cc1ccc(Cn2ncnc2[C@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 825176636 DGYKTBRPCKBDEU-INIZCTEOSA-N 348.406 2.861 0 50 EFAA Cc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)n1C(F)F 584896795 AYVRHWZZPSQXMN-UHFFFAOYSA-N 334.370 2.545 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1nn(C)cc1OC 1412679727 QEMNLYHAAVVDJB-WCQYABFASA-N 335.379 2.603 0 50 EFAA Cc1nn(C)cc1CNC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1 1447623642 CLMNEDBGXHTQJK-UHFFFAOYSA-N 340.349 2.736 0 50 EFAA CCOCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 952971937 VXKSLEFRONRSAS-INIZCTEOSA-N 332.444 2.658 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnoc1-c1ccccc1 952978177 XPJJQNSPAVDWSP-INIZCTEOSA-N 341.411 2.815 0 50 EFAA Cc1noc(C)c1CCCNC(=O)CCc1n[nH]c2c1CCCC2 952970575 DZGXPKMLUOLYBP-UHFFFAOYSA-N 330.432 2.575 0 50 EFAA C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)C(C)(C)C)[C@@H](O)C1 1565529303 VHICABAMRVMJML-IZMZXHESSA-N 334.460 2.528 0 50 EFAA O=C(CCn1cncn1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163664221 JQWIDTZQTGCUKX-UHFFFAOYSA-N 347.422 2.921 0 50 EFAA CCCCN(CCCC)C(=O)c1cnc(CCOCCOC)[nH]1 408517512 JYSJLIGLYAOOQO-UHFFFAOYSA-N 325.453 2.658 0 50 EFAA O=C(COc1ccc(C(F)(F)F)nc1Br)NC1CC1 408514109 LVPRRQBWKAYPOL-UHFFFAOYSA-N 339.111 2.520 0 50 EFAA CCS(=O)(=O)C1CCN(Cc2ccc3nc(C)ccc3c2)CC1 278782773 VVHFLNKVYAGNAT-UHFFFAOYSA-N 332.469 2.942 0 50 EFAA CCc1c(C(=O)Nc2nc3c(s2)COCC3)[nH]c(C)c1C(C)=O 171018370 YGEZUVVPVGDTMK-UHFFFAOYSA-N 333.413 2.870 0 50 EFAA COc1ccc(C(=O)Nc2cc(-c3cc(C)ccc3F)n[nH]2)nn1 190112416 RTGSARBGILYGJI-UHFFFAOYSA-N 327.319 2.575 0 50 EFAA Cc1nccc(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)n1 195273760 YUJVATYPALQSML-SECBINFHSA-N 348.200 2.975 0 50 EFAA Cc1cc([C@H](C(=O)O)N2CCN(Cc3ccco3)CC2)ccc1F 1506421479 QBIXNNFEGAWETF-QGZVFWFLSA-N 332.375 2.671 0 50 EFAA CNc1ncccc1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506413897 AEGJDRGTIBFFHG-OAHLLOKOSA-N 331.441 2.771 0 50 EFAA C[C@]1(O)CCN(C(=O)c2ccccc2O)C[C@H]1Cc1ccccc1 215357877 MZHZYNHYTQJQNI-UZLBHIALSA-N 325.408 2.848 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(C)sc3C)C[C@@H]21 1704311313 DYTSFHLRLHLNPQ-IJEWVQPXSA-N 343.514 2.927 0 50 EFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC(C)C)ccc1F 1704316003 SDIDTAQUBHZHSO-UHFFFAOYSA-N 335.379 2.941 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(Cl)cn3C)C1)CC2 1704338101 KVLSJOUNMYDKAT-SFHVURJKSA-N 344.846 2.897 0 50 EFAA COc1ncc(NC(=O)N(C)CC(F)F)c(C)c1Br 932948818 UIHQOAMMSXGYQT-UHFFFAOYSA-N 338.152 2.890 0 50 EFAA C[C@H]1Cc2cc(-n3ccnc3-c3cccc(OCC(N)=O)c3)ccc2O1 1772808759 AKMAITWJNNPZNM-ZDUSSCGKSA-N 349.390 2.727 0 50 EFAA O=C(O)c1c(N2CCC[C@]3(CCNC3)C2)noc1-c1ccccc1 1772705775 POQGJIUFOWIQNQ-GOSISDBHSA-N 327.384 2.620 0 50 EFAA O=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)c1cc(C2CC2)n[nH]1 11789529 DIYJNMONPGVCJE-OAHLLOKOSA-N 342.374 2.544 0 50 EFAA Cc1ncc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)n1C 12430917 GECILACKQGQSFB-GOSISDBHSA-N 348.450 2.772 0 50 EFAA Cc1cccc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)n1 12478156 CWVZEHMISWYFKH-FQEVSTJZSA-N 342.414 2.987 0 50 EFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@H](OC)C3)no2)c1 12751942 QJHJIQAFDKYNDD-HNNXBMFYSA-N 346.383 2.513 0 50 EFAA COc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14291460 PGKINGVDKMQXFD-UHFFFAOYSA-N 325.817 2.968 0 50 EFAA Nc1cc(=O)[nH]c(SCCOc2cccc(C(F)(F)F)c2)n1 16527217 ANWNOXGUUIUMHL-UHFFFAOYSA-N 331.319 2.542 0 50 EFAA CO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C3CCOCC3)c2C)C12CCC2 333682450 AVEFXGJUMYINED-IAGOWNOFSA-N 347.459 2.573 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](N)C2)cc1OCC 132327893 HLRGNKSIRVGHTQ-GFCCVEGCSA-N 326.824 2.701 0 50 EFAA CC(=O)NC1CCC(NCC(C)(C)c2ccc3c(c2)OCO3)CC1 132771498 RZAKVCRPLGFNOV-UHFFFAOYSA-N 332.444 2.730 0 50 EFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1cccc(O)c1)C2 248250989 IZFWTLPVSQGDRP-ROUUACIJSA-N 328.456 2.824 0 50 EFAA CCc1c(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cnn1C(C)(C)C 348260660 DFGWWWQVLOHQGC-GFCCVEGCSA-N 331.420 2.522 0 50 EFAA Cc1cc(NC(=O)N2CCOC[C@H](C)C2)nn1-c1cccc(Cl)c1 348809765 LQENDPCSGCFXDY-GFCCVEGCSA-N 348.834 3.334 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2Cl)CC1 671484964 SFTFOVDXVKINJY-NSHDSACASA-N 326.799 2.526 0 50 EFAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1coc(-c2ccccc2)n1 141012678 GHGCXGFKANSLSL-NZBPQXDJSA-N 326.352 2.571 0 50 EFAA Cn1ncc2c(N3C[C@@H](CO)[C@H](c4ccc(Cl)cc4)C3)ccnc21 367757200 LAXAFUKRGVAKES-BBRMVZONSA-N 342.830 2.834 0 50 EFAA O=C(N[C@H]1C[C@H](C(=O)O)c2ccccc21)c1ccnn1CC1CCC1 902015461 JEIQTSYJZOHVLB-HOTGVXAUSA-N 339.395 2.726 0 50 EFAA Cc1csc(N(C(=O)c2coc3c2C(=O)NCCC3)C2CC2)n1 906869536 DACUDYCBDKGDRJ-UHFFFAOYSA-N 331.397 2.530 0 50 EFAA CSc1ccc(OC[C@@H](O)CN[C@@H](C)Cc2cccnc2)cc1 934230044 MDSPSSUBOIPRJB-HOCLYGCPSA-N 332.469 2.764 0 50 EFAA COC[C@](C)(NC(=O)N1CCOC[C@H]1c1ccccc1)C(F)(F)F 874435543 XDAZXWJSHZQSAS-ZFWWWQNUSA-N 346.349 2.737 0 50 EFAA Cc1cn(C(C)(C)c2nc(-c3cn(Cc4ccccc4)nn3)no2)cn1 952847890 DXPOCPRAUQEIKD-UHFFFAOYSA-N 349.398 2.665 0 50 EFAA CC(C)OC[C@H](O)Cn1cc(-c2cccc(C(F)(F)F)c2)nn1 1875269988 PETQQBJRTIJYLQ-CYBMUJFWSA-N 329.322 2.750 0 50 EFAA Cc1nc(C(=O)NCc2cccc(NC(C)C)c2)ccc1C(=O)O 1875270793 BJAYSNXIPHZVML-UHFFFAOYSA-N 327.384 2.839 0 50 EFAA COc1ccc(OC[C@H]2C[N@@]2Cc2cnn(C)c2)c(C(F)(F)F)c1 1875381216 NUBCWXBJWXSZIA-VERVWZFWSA-N 341.333 2.711 0 50 EFAA CC[C@@H](O)c1cn([C@H]2CCCN(c3cc(C)ccc3F)C2=O)nn1 881303967 PJARTZXQESOFLN-GOEBONIOSA-N 332.379 2.537 0 50 EFAA O=C(NCC[C@@H]1CCC(F)(F)C1)c1cncc(N2CCCC2=O)c1 889994849 CKBANCWDHZXCKX-LBPRGKRZSA-N 337.370 2.764 0 50 EFAA C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1ccnn1C)c1ccc(F)cc1 1775994041 QPYMVYYVACMDNL-GFCCVEGCSA-N 347.390 2.936 0 50 EFAA CC(C)=CC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 408517409 IAKPHMXVQRYPOQ-BDAKNGLRSA-N 346.271 2.553 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccncc1 2437400 PYKBKSMVDWIOQH-KRWDZBQOSA-N 347.378 2.662 0 50 EFAA c1ccc(CN2CN(C[C@@H]3CCCO3)c3nc4ccccc4n3C2)nc1 9262112 GKBQRPGECNLBFL-KRWDZBQOSA-N 349.438 2.848 0 50 EFAA CCc1nc(O)ccc1C(=O)NCc1ccccc1-n1ccnc1C 2100482188 DVIJHCNWVOAKKZ-UHFFFAOYSA-N 336.395 2.774 0 50 EFAA CC1(C)Cc2cccc(CN3C[C@@H](CC(=O)O)OCC3(C)C)c2O1 2325788329 YUVYNZJCFNYSMZ-OAHLLOKOSA-N 333.428 2.854 0 50 EFAA CC1(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC(c2nn[nH]n2)C1 2325807873 ALHTVHVPIGRWNS-ZHTDJMBKSA-N 337.427 2.762 0 50 EFAA COC(=O)c1sccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)O 70088 KEWKOHHMZAYKDK-GHMZBOCLSA-N 337.397 2.920 0 50 EFAA COC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 90151 DURFPPKOGFMMIE-UHFFFAOYSA-N 348.362 2.951 0 50 EFAA CN(C)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1 136499 UWCOPRZCOYAACD-UHFFFAOYSA-N 335.816 2.905 0 50 EFAA C[C@H]1CCCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 316795 NCKBIZMIBDFKBV-AWEZNQCLSA-N 340.464 2.711 0 50 EFAA CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23 816438 APPXCMLRVQQRNG-UHFFFAOYSA-N 339.376 2.626 0 50 EFAA Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1C 1079706 IGBOVYWVLYXQPH-UHFFFAOYSA-N 338.816 2.857 0 50 EFAA c1ccc(-c2ccc(N3CCc4nc(C5CC5)nn4CC3)nn2)cc1 2356148304 PXRXTPZHMKPDNH-UHFFFAOYSA-N 332.411 2.675 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 2734629 TUXWDUQDYJRALJ-UHFFFAOYSA-N 336.501 2.880 0 50 EFAA Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 3963016 TUVCWJQQGGETHL-UHFFFAOYSA-N 348.362 2.980 0 50 EFAA in-vitro CC(=O)Nc1ccc2nc(CCNC(=O)c3ccccc3)n(C)c2c1 4755828 HCNPAHCHZQARCV-UHFFFAOYSA-N 336.395 2.504 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 4902113 PCPHGFITLOYTLU-NXEZZACHSA-N 325.386 2.673 0 50 EFAA COC(=O)c1c(NC(=O)CSc2nccn2C)sc(C)c1C 6369566 GXPJVAAEHNWFRI-UHFFFAOYSA-N 339.442 2.616 0 50 EFAA CCCCS(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 6700123 IBYKWYAVCVXNKR-UHFFFAOYSA-N 330.881 2.900 0 50 EFAA CCc1nc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 280216995 AKKGIBRNACUWAI-ZWNOBZJWSA-N 340.349 2.694 0 50 EFAA CCN(C/C=C/c1ccccc1)Cc1cnc(NCC(=O)O)nc1 55071386 BTNLKJJKUPPVAY-RMKNXTFCSA-N 326.400 2.508 0 50 EFAA CCCCC(=O)Nc1cc(NC(=O)[C@H](C)n2cncn2)ccc1OC 55401542 WEQUVERBXHZGDN-LBPRGKRZSA-N 345.403 2.615 0 50 EFAA Cc1ccc(C)c(NC(=O)CC(=O)N(C)[C@H](C)c2ccncn2)c1 55281094 PBMJUVQOAVKBEO-CQSZACIVSA-N 326.400 2.642 0 50 EFAA Cc1n[nH]cc1CNC(=O)N(C)c1ccc(Br)cc1F 225516200 HXZBBPZSHFFKBE-UHFFFAOYSA-N 341.184 2.966 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2nnnc2N1 9137946 UMBCYGFUZUMAQM-OAHLLOKOSA-N 336.355 2.502 0 50 EFAA O=C(N[C@H]1CCNC1)c1cccnc1SC/C=C/c1ccccc1 55308555 OWXQLYWXGMFNEM-WHWKNOJMSA-N 339.464 2.979 0 50 EFAA CCN1C[C@@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1=O 57130729 AKJBHJSDZWYDGX-NSHDSACASA-N 345.830 2.574 0 50 EFAA CCC[C@H](C)c1n[nH]c2c1CN(C(=O)[C@@H]1CC(C(C)C)=NO1)CC2 20778277 VADFOGVKUYCEFQ-LRDDRELGSA-N 332.448 2.999 0 50 EFAA CC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 67559070 SUFFVDWDZIPFTD-UHFFFAOYSA-N 345.378 2.850 0 50 EFAA CCC(CC)NC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67983193 AUGKPCULKZDZFW-GOSISDBHSA-N 340.414 2.597 0 50 EFAA CC1CCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 229640005 PFRKTYJFXBWZTO-HIFRSBDPSA-N 326.462 2.812 0 50 EFAA Cc1c(CN2CCC[C@@H](CCNS(C)(=O)=O)C2)[nH]c2ccccc12 67947488 QPTDZAIAHACBQH-HNNXBMFYSA-N 349.500 2.628 0 50 EFAA O=C(Nc1ccccc1F)C(=O)N(C[C@H]1CCCO1)C1CCCC1 121290435 VNIMURIICVKDAN-CQSZACIVSA-N 334.391 2.714 0 50 EFAA COc1ccc(OC)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 39430114 YMORHGGMGCBRCW-GOSISDBHSA-N 348.487 2.515 0 50 EFAA COc1cccc(CN2C[C@@H](C(=O)N3CCCCCC3)CCC2=O)c1 12313980 AMFQINGULLGYEA-KRWDZBQOSA-N 344.455 2.836 0 50 EFAA Cc1cc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c(C)o1 328607179 VDPLRBCYXHQPPG-JKSUJKDBSA-N 332.448 2.989 0 50 EFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccc(F)c(Cl)c1)C2 72131898 NPFOKBPPGWKAKO-UHFFFAOYSA-N 337.782 2.709 0 50 EFAA CNc1nnc(SCc2csc(N(C(C)=O)C3CC3)n2)s1 172092871 HOKPDSQGBRVZQJ-UHFFFAOYSA-N 341.487 2.844 0 50 EFAA O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H]1CCC1CCCC1 330018085 SFTJKLODUCEQOU-HNNXBMFYSA-N 337.489 2.953 0 50 EFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)C12CCCC2 32101507 GGPYXVHSMVXOOR-QGZVFWFLSA-N 344.455 2.710 0 50 EFAA C[C@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@]2(CCOC2)C1 253392546 NVTAGBXGVHLGOU-SJKOYZFVSA-N 349.431 2.897 0 50 EFAA CC1=C(c2ccco2)CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 253392183 QURNZWKKYHWCKF-KSSFIOAISA-N 346.452 2.739 0 50 EFAA O=C(O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 216626945 QEBWPPCVQYXGCJ-QGZVFWFLSA-N 336.347 2.666 0 50 EFAA biogenic Nc1cc(C2CCN(c3nc(-c4ccccc4)ns3)CC2)n[nH]1 126483102 GNWHWYXIXIJUTM-UHFFFAOYSA-N 326.429 2.894 0 50 EFAA Cc1cc(N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)n2nccc2n1 72477007 OOJLZNIWMXMKJV-LJQANCHMSA-N 334.379 2.652 0 50 EFAA CC(C)c1nncn1CCNC(=O)COc1ccc2ccccc2c1 152081194 YHXBRQTUWSWFTO-UHFFFAOYSA-N 338.411 2.750 0 50 EFAA Cc1cc(NCc2noc(-c3c(F)cccc3F)n2)n2nccc2n1 72431321 HJDSILZTZGIOSM-UHFFFAOYSA-N 342.309 2.978 0 50 EFAA CCN(C(=O)Cn1ncc(=O)c2ccccc21)c1ccc2[nH]ccc2c1 242001084 VCUVTVANZLUMLN-UHFFFAOYSA-N 346.390 2.931 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 152918524 VOJONXXSQHWWIH-NEPJUHHUSA-N 346.818 2.947 0 50 EFAA NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 242287964 YJVWHLLNKPGNAO-GJZGRUSLSA-N 329.425 2.821 0 50 EFAA O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCCNC1 154558764 LYAHNGWJNCFJSR-QMMMGPOBSA-N 336.285 2.828 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 372847703 OOMHMXKHZZWADQ-LIRRHRJNSA-N 337.379 2.719 0 50 EFAA CN1CCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2Cl)CC1 75978227 XUDHZASYDOKCQZ-UHFFFAOYSA-N 342.846 2.627 0 50 EFAA COCC1(C)CCN(C(=O)Nc2c[nH]nc2-c2nccs2)CC1 333724363 OMSKOYQVKDMJHF-UHFFFAOYSA-N 335.433 2.814 0 50 EFAA CCOC[C@@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 155844745 PMRNHLQTPVLITN-CQSZACIVSA-N 348.418 2.841 0 50 EFAA Cc1n[nH]c(Cn2cnc3sc4c(c3c2=O)CCCCCC4)n1 32577688 PXNMDHOWTTWPAJ-UHFFFAOYSA-N 329.429 2.592 0 50 EFAA COCCC(=O)N1CCC(NCc2c(F)cc(C)cc2Cl)CC1 459434050 CKKKBRHGODXZCO-UHFFFAOYSA-N 342.842 2.905 0 50 EFAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc(N(C)C)c2ccccc2n1 263103423 CZWBWIUGLUEUDH-OLZOCXBDSA-N 341.411 2.626 0 50 EFAA O=C(O)CC1(NC(=O)c2cc(=O)[nH]c3ccc(F)cc23)CCCCC1 223782307 LSVHFJKDWVDBNG-UHFFFAOYSA-N 346.358 2.575 0 50 EFAA CC(C)(C)c1ccccc1OCC(=O)N1CCC(F)(F)[C@@H](CO)C1 290980930 APVYNOPUFWBWPT-CYBMUJFWSA-N 341.398 2.839 0 50 EFAA O=C1CCC[C@@H](CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)N1 289752546 MIXBASZHOBOOGV-LBPRGKRZSA-N 341.238 2.937 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)COc1ccc2ccccc2c1 222260052 BHVMULMSMNIMLT-QZTJIDSGSA-N 329.396 2.529 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)CCn2c(C)cccc2=O)c1 426545523 ZTPDLGKLESPBSJ-SFHVURJKSA-N 340.423 2.919 0 50 EFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3ncoc3C)O2)CC1 97776117 SLYSJIOTOPMBFP-MRXNPFEDSA-N 347.459 2.693 0 50 EFAA O=C(NCc1cc(-c2ccccn2)no1)[C@H]1CCOc2ccccc2C1 95529963 GPUSMINNPRXRDU-HNNXBMFYSA-N 349.390 2.994 0 50 EFAA C[C@@H]1CCN(C(=O)NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1C 179298839 IXFWJRLXFKVPOZ-CVEARBPZSA-N 343.471 2.997 0 50 EFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)O)o1 426358230 GOFIWTZKQAELLV-GFCCVEGCSA-N 333.344 2.629 0 50 EFAA CCNC(=O)c1ccnc(N(C)Cc2cnn(-c3ccccc3)c2)c1 96138826 QVOQUZTWHDRALH-UHFFFAOYSA-N 335.411 2.653 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)CCc3ccc(Cl)cc3)C2)C1=O 91416580 GXKIMMOPWPBWMI-GOSISDBHSA-N 334.847 2.744 0 50 EFAA Cc1nn(C(C)C)cc1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 293791265 ZUSBYTFDNCNFMT-IBGZPJMESA-N 340.471 2.706 0 50 EFAA Cc1ccc(-n2cnnc2)cc1NC(=O)N[C@@H]1COC2(CCCC2)C1 96142142 ZSHMPJAOTCPFPK-AWEZNQCLSA-N 341.415 2.799 0 50 EFAA CCc1nocc1CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 293891907 CKPZHLIRUOALDQ-UHFFFAOYSA-N 343.362 2.537 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CC[C@H](N)C[C@@H]3C)s2)cc1 237486586 KVOSWRMRLZMLNY-AAEUAGOBSA-N 331.441 2.771 0 50 EFAA Cc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)on1 91410708 KHFWNSCFQKQTBB-UHFFFAOYSA-N 343.475 2.712 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCc3cnc4ccccn34)[nH]n2)o1 91793689 VCJPSYFHGOGRFY-UHFFFAOYSA-N 335.367 2.598 0 50 EFAA C[C@H](c1ccccc1)N(C)C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 299743881 PUDCNYZRCNKSIO-BGTYHANMSA-N 344.455 2.924 0 50 EFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@]2(CCOC2)C1 183684034 WGJPBRBAMWHALD-SFHVURJKSA-N 326.400 2.825 0 50 EFAA Cn1ccc(NC(=O)CN2CCC(Oc3ccccc3Cl)CC2)n1 252482013 CWSWOZYPJVNBMJ-UHFFFAOYSA-N 348.834 2.555 0 50 EFAA Cc1ccc(-c2cc3n(n2)[C@H](NCc2ccccc2)CNC3=O)cc1 263618863 VVXQZSBCJTWZRW-IBGZPJMESA-N 332.407 2.890 0 50 EFAA CCc1oc2c(NC(=O)N(C)C[C@@H](O)CO)cc(Cl)cc2c1C 299759865 OHPMYZADIZTXRD-LLVKDONJSA-N 340.807 2.774 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 299764661 CFUMYFGVZKQSHX-HNNXBMFYSA-N 344.484 2.942 0 50 EFAA C[C@H](CCC(=O)Nc1ccccc1CN1CCCC1)N1CCOCC1 952860154 GNYSCZMKLLBMIN-QGZVFWFLSA-N 345.487 2.722 0 50 EFAA C[C@H](NC1(CNc2ncc(F)cn2)CCOCC1)c1ccccc1 301798610 VHKHNXGUPCBSBW-AWEZNQCLSA-N 330.407 2.928 0 50 EFAA CN1CCO[C@H]([C@@H](NCCc2cccnc2)c2ccc(Cl)cc2)C1 221864403 GTCDEQIXSMVXAZ-OALUTQOASA-N 345.874 2.939 0 50 EFAA CCc1nc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CC)co1 170594350 JRPKDCJCRDJYHF-MRXNPFEDSA-N 327.428 2.974 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ncccn2)c(C)c1 639841619 YBSOGRNVCIEGOC-IAGOWNOFSA-N 327.428 2.670 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cn1 189727442 GUSIVTVEDOYLAA-CJNGLKHVSA-N 328.420 2.747 0 50 EFAA CC[C@H](C(=O)Nc1cc(-c2cc(C)ccc2F)n[nH]1)N1CCCC1=O 190098168 OIFLWJAUYCARMN-OAHLLOKOSA-N 344.390 2.864 0 50 EFAA CSC1(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 190169452 TZLFNWZYMBSWSF-HUUCEWRRSA-N 348.512 2.808 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccc3c2OCO3)C1 190486098 WECVQCSAZOBZOB-KRWDZBQOSA-N 339.439 2.764 0 50 EFAA O=C(OCCO)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 730370409 QZZPGCZRLCAFMZ-UHFFFAOYSA-N 341.194 2.817 0 50 EFAA C[C@H](CC(=O)Nc1nc(-c2ccc[nH]2)cs1)N1CCCCC1=O 193204870 SBAUDDVKFNDWOR-LLVKDONJSA-N 332.429 2.868 0 50 EFAA CC(C)(C)c1cc(C(=O)N2CCc3cccc(C(=O)O)c3C2)[nH]n1 649257885 AEZDAUFPPYJZCF-UHFFFAOYSA-N 327.384 2.604 0 50 EFAA CN(Cc1cn(C)nc1C1CCCCC1)CC(C)(C)S(C)(=O)=O 195560406 LLRJEBQNUNSWSQ-UHFFFAOYSA-N 341.521 2.723 0 50 EFAA COc1cccc([C@H](NC(=O)[C@@H]2CCOc3ccccc32)C(=O)O)c1 659175406 NATGYLIQLUXVHF-WBVHZDCISA-N 341.363 2.503 0 50 EFAA C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 660431676 SZRLZTZYLXVUOS-ZBFHGGJFSA-N 337.427 2.732 0 50 EFAA Cn1nc(-c2ccccc2)c2c(NC(=O)c3cccnc3F)[nH]nc21 806871130 XSMPKNWLAVHDHK-UHFFFAOYSA-N 336.330 2.750 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 779857288 UNVYUXXKPZQSKT-QKPAOTATSA-N 333.432 2.883 0 50 EFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2Br)[C@H]2C=C[C@H]1C2 100320196 NIUISBBQDJDGKY-VDUILEQBSA-N 336.185 2.911 0 50 EFAA O=C(O)c1coc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)n1 1529099516 ZSUQTJPWIAIZJY-KRWDZBQOSA-N 344.411 2.579 0 50 EFAA CC(C)c1ccc(CCCC(=O)N(CCO)Cc2ncc[nH]2)cc1 1704308694 HFWDJMZCIDLKNU-UHFFFAOYSA-N 329.444 2.877 0 50 EFAA O=C(CSc1nc(O)cc(O)n1)Nc1ccccc1C(F)(F)F 5614653 GFZISTFECPQLEW-UHFFFAOYSA-N 345.302 2.637 0 50 EFAA Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 12420408 JYEOAMBHZJNQSG-VIFPVBQESA-N 337.221 2.932 0 50 EFAA CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cs1 16580588 PEBRSTWCOFSDGY-UHFFFAOYSA-N 338.454 2.861 0 50 EFAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cnn2cccnc12 1857701645 XMTHYSXHFQLDIR-ZVDOUQERSA-N 348.450 2.687 0 50 EFAA Cc1ccc2oc(CN3CCC4(CC3)CNC(=O)CCO4)c(C)c2c1 1857723141 VNLXLZZPZZUKPN-UHFFFAOYSA-N 342.439 2.921 0 50 EFAA O[C@@]1(CN2CCc3ccccc3C2)CCCN(c2ccncc2F)C1 1857735522 DROJCPVOKTXUOV-HXUWFJFHSA-N 341.430 2.610 0 50 EFAA Cc1cccc(C)c1-c1nccn1[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857740950 UWHRARDZQHFBGK-BZSNNMDCSA-N 341.455 2.564 0 50 EFAA CC(C)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccn2)c2ccccc21 634792340 NJVNMSIHEFIBQU-AWEZNQCLSA-N 346.408 2.728 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cn1 331294061 XXQKOXBBFCRMFW-ZBFHGGJFSA-N 346.452 2.965 0 50 EFAA CCNC(=O)c1cccc(C)c1OCc1nnc([C@@H]2CCCOC2)o1 643645103 HJIAVQVBCNAODU-CYBMUJFWSA-N 345.399 2.601 0 50 EFAA COc1cc(CCNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccc1F 127832595 ZKUZCRBHBYQHHQ-ZBFHGGJFSA-N 336.407 2.634 0 50 EFAA Cc1nnc(SCc2cc(Cl)ccc2F)n1CC(=O)N(C)C 253420157 UWFSSWDIYYOKMU-UHFFFAOYSA-N 342.827 2.760 0 50 EFAA CCOc1ccc(CN2CCC3(CC2)C[C@](C)(O)CCO3)cc1OC 257175452 PETLAGROAMQKQD-LJQANCHMSA-N 349.471 2.990 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cn1 262509222 JUZVLMGJYMNLRM-QGZVFWFLSA-N 340.379 2.693 0 50 EFAA O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1cccc(-c2ccoc2)c1 262768252 LATWGGRJGZHJOG-HZPDHXFCSA-N 329.352 2.556 0 50 EFAA COc1cccc([C@@H](CC(=O)O)NC(=O)c2cc(C)cc(C)n2)c1 908854890 JXWUOVKICCZTBX-OAHLLOKOSA-N 328.368 2.653 0 50 EFAA CCCN1CCC[C@H](c2nc(CC(=O)Nc3ccccc3)no2)C1 822922678 ACLVRRQTEBGLCM-AWEZNQCLSA-N 328.416 2.840 0 50 EFAA CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cnn(C3CCC3)c2)C1 934317332 XFLPBIFXGFNOTN-ZDUSSCGKSA-N 343.435 2.631 0 50 EFAA N[C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CCC[C@H]2CC2CCCC2)nn1 864803196 WTSCMKFBEFMQDA-JZXOWHBKSA-N 345.491 2.905 0 50 EFAA Cc1cc(C(=O)N(C)C2CCNCC2)nc(-c2ccc(Cl)cc2)n1 1875276956 PXCXOSWKAKXFBW-UHFFFAOYSA-N 344.846 2.929 0 50 EFAA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](CC(=O)O)c3ccccc32)cn1 1875291726 JVSMIPFZKPKGLJ-KCXAZCMYSA-N 339.395 2.519 0 50 EFAA CSc1nc(NCc2ccnc(N3CCO[C@H](C)C3)c2)ncc1C 1875295157 SBVLFJXKQZSVHH-CYBMUJFWSA-N 345.472 2.739 0 50 EFAA N[C@H](CC(=O)N[C@H](CCO)C1CCCCCC1)Cc1ccccc1 1875277871 LAEREMPFFUVCMH-RBUKOAKNSA-N 332.488 2.784 0 50 EFAA N[C@H](C(=O)Nc1cncc(-c2cc[nH]n2)c1)[C@@H]1C[C@@H]1c1ccccc1 1875325744 BIUVYBDGGUWSMO-NUJGCVRESA-N 333.395 2.541 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(-c2cc(C3CC3)no2)o1 886095541 ZTDPQRDPAUEPCJ-IAQYHMDHSA-N 341.371 2.971 0 50 EFAA COCc1ccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1 886065608 MKYSMNBJOWWQDK-JKSUJKDBSA-N 344.377 2.864 0 50 EFAA O=C(Nc1ccns1)N1CCN(c2ncnc3sccc23)CC1 889130181 KPXWYSPEXQYXAT-UHFFFAOYSA-N 346.441 2.502 0 50 EFAA O=C([C@@H]1CCc2nn[nH]c2C1)N1Cc2ccccc2C2(CCCC2)C1 1775986298 PSGXCQRTIILIBM-CQSZACIVSA-N 336.439 2.764 0 50 EFAA C[C@H](O)CC(C)(C)CN[C@@H](C)C1(n2cc(Br)cn2)CC1 1775998081 RLJIMAWMAUTQQA-RYUDHWBXSA-N 344.297 2.910 0 50 EFAA O=C(Nc1c(O)ccc(Br)c1F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1776005642 HAAZWBNHLVERJH-RNJXMRFFSA-N 342.164 2.848 0 50 EFAA O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1-c1ccccc1 5706260 KCYZGPOLBGTNDH-UHFFFAOYSA-N 335.392 2.688 0 50 EFAA CC(C)CCC(=O)NCC(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1 2325782771 FBOBQZKSOQVLCN-GASCZTMLSA-N 326.481 2.591 0 50 EFAA Cc1cc2scc(CC(=O)N3CCC[C@@H]3c3nn[nH]n3)c2s1 900389186 QCBXWIXMTQVDNA-SNVBAGLBSA-N 333.442 2.691 0 50 EFAA O=C(NCc1ccncc1)c1cccc(I)c1 288057 NPWDAYAYATYIJM-UHFFFAOYSA-N 338.148 2.616 0 50 EFAA C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 469477 DSBAMBATKXVGIU-CYBMUJFWSA-N 332.425 2.573 0 50 EFAA COC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(C)C 2345288 VCLQWHJGLWMXDF-ZDUSSCGKSA-N 334.199 2.686 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccc2ncsc12 2356157219 FURUWYCRBOMLTJ-OAHLLOKOSA-N 337.404 2.787 0 50 EFAA CC(=O)c1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1 4121158 ZYRYMVHLLAOUST-UHFFFAOYSA-N 327.365 2.519 0 50 EFAA C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccnc1 4998882 OTGJXFWTYNCXKN-NSHDSACASA-N 335.201 2.928 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1C 6702651 AVBFFVUAYAXXGW-KRWDZBQOSA-N 326.352 2.732 0 50 EFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6726402 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2.757 0 50 EFAA C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H](C)n1cccn1 248255014 NZSKQELMVFRSCZ-DUPRYPCISA-N 343.471 2.877 0 50 EFAA Cc1cc(C[C@H](C)Nc2nc(-c3ccccc3)nc3c2CCNC3)n[nH]1 67649551 UWJMBFQMXGWUSZ-ZDUSSCGKSA-N 348.454 2.864 0 50 EFAA C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCCO1 248750271 GCDBGZOHAAAKMN-RRFJBIMHSA-N 337.489 2.752 0 50 EFAA Cc1cnc(C(=O)NC[C@H]2CCN(C/C=C/c3ccccc3)C2)cn1 67983350 DFZFEXMJFJRUKI-KRZKXXONSA-N 336.439 2.550 0 50 EFAA CCc1cccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)c1 67602116 GNMBHOHFNHUXDN-UHFFFAOYSA-N 325.416 2.702 0 50 EFAA CCc1ccc(CN2CC[C@H](CNC(=O)c3ncccc3C)C2)nc1 67843250 AFJQRRHTGUEYRI-QGZVFWFLSA-N 338.455 2.599 0 50 EFAA C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](N(C)C)C1 229625088 TZGQGXJCRHVPPE-CHWSQXEVSA-N 341.402 2.641 0 50 EFAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)[C@@H]2CC=CCC2)c(C)[nH]1 252550411 SORQBBGRYSLNBO-IEBWSBKVSA-N 345.487 2.647 0 50 EFAA NC[C@@H]1CCCCN1Cc1cccc(OCCN2CCCCC2)c1 215654934 CDRUTSJXNLKVKN-IBGZPJMESA-N 331.504 2.865 0 50 EFAA 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Cn1nccc1[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 371770435 ULTAPSYWDCGWQX-MRXNPFEDSA-N 337.427 2.892 0 50 EFAA CN(C)C(=O)N[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 449746138 QHAAMNHDDVZIOC-OAHLLOKOSA-N 328.416 2.577 0 50 EFAA CC(C)C/C=C(\CN1CCO[C@@]2(CNCCOC2)C1)c1ccccc1 72145408 QOWBBMBXIOVWTP-JOYAQPMTSA-N 344.499 2.807 0 50 EFAA C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCCC12CCN(C)CC2 378332479 GWBQULZXNVOOMX-HNNXBMFYSA-N 331.460 2.593 0 50 EFAA COc1ncc([C@@H](C)NC2CCN(c3cccnn3)CC2)cc1Cl 284288299 KEVGFCPPHYBISX-GFCCVEGCSA-N 347.850 2.853 0 50 EFAA Cc1ccccc1-c1noc(CN2CCC[C@]3(CC2)CNC(=O)O3)n1 72137357 YVXJNHPWBYYPSL-SFHVURJKSA-N 342.399 2.510 0 50 EFAA COC[C@]1(C)CCN(C(=O)N[C@H]2CCc3cc(F)c(OC)cc32)C1 458746192 BFRQAWLPFJPIIJ-MAUKXSAKSA-N 336.407 2.890 0 50 EFAA C[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCCC1 82127967 ZQZLWTAOSHFQQI-QGZVFWFLSA-N 343.471 2.516 0 50 EFAA O=C(Cc1cccc2ccccc12)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286364550 PPBPOGYFGDZYAJ-XUVXKRRUSA-N 339.435 2.771 0 50 EFAA c1ccc([C@@H]2CN(c3cncc(-n4cccn4)n3)[C@@H]3CCOC[C@H]23)cc1 286436505 SGEXAIFTFFFILR-RCCFBDPRSA-N 347.422 2.671 0 50 EFAA C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CN1Cc1ccccc1 177449318 MWQIKRLTKRQZCH-CJNGLKHVSA-N 325.412 2.945 0 50 EFAA CC[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 236954790 XMVQYAGHOWEYEO-CHWSQXEVSA-N 345.317 2.511 0 50 EFAA Cc1cc(CC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)no1 179922034 XOUGNRIRTSPRPU-UHFFFAOYSA-N 342.321 2.605 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(CCCC(N)=O)CC2)C1 91594829 SKOIANSQMWZXOS-IBGZPJMESA-N 343.515 2.844 0 50 EFAA CCCc1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2 91486788 SUDJDXLSXQTLGJ-HZPDHXFCSA-N 330.476 2.865 0 50 EFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccccc1-c1nc[nH]n1 95356368 WDCLOZOSPPNXIE-CQSZACIVSA-N 348.406 2.843 0 50 EFAA Cc1nn(C)c2nc(N3CCCC[C@H]3CCn3cccn3)sc12 95525340 KQUWRNIYANWAOO-ZDUSSCGKSA-N 330.461 2.984 0 50 EFAA CCSCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91651552 TZLQWSKXSPJDGD-DOTOQJQBSA-N 333.501 2.648 0 50 EFAA CCOc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95358862 SHVPRWZITOZIPL-IAGOWNOFSA-N 343.471 2.817 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)C[C@@H]2CCOc3ccccc32)c1 162746550 ZHIJNVDDELROOM-ZDUSSCGKSA-N 349.394 2.772 0 50 EFAA CCCn1ccnc1CNC(=O)c1cc(-c2cccc(OC)c2)[nH]n1 91381290 KNDNWPLPYCGFEX-UHFFFAOYSA-N 339.399 2.622 0 50 EFAA O=C1C[C@@H](NCc2cnn3ccccc23)CN1c1c(F)cccc1F 180218520 HOZIGWJVAQTCJE-CYBMUJFWSA-N 342.349 2.508 0 50 EFAA CCc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c(C)n1 184102542 YIVDJKXTKALGJX-INIZCTEOSA-N 337.423 2.767 0 50 EFAA O=C(CC1Cc2ccccc2C1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244872779 WEGARMCZXMGQJQ-DBXWQHBBSA-N 336.435 2.815 0 50 EFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(F)c1 243900919 AXOBWVWLWXPHLG-JKIFEVAISA-N 348.805 2.986 0 50 EFAA Cn1cc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)c(-c2ccccc2)n1 296836143 GTZAAWMZRGRNJY-OAHLLOKOSA-N 327.428 2.710 0 50 EFAA CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C[C@H]1N1CCOCC1 299754065 USPPORJTEAFNNW-QBPKDAKJSA-N 348.512 2.729 0 50 EFAA COc1ccc(F)c(F)c1C(=O)N(C)CCc1noc(C2CC2)n1 299787748 XVZYCHIIPWFZIX-UHFFFAOYSA-N 337.326 2.549 0 50 EFAA CN1CCC(OCCCNC(=O)N(C)C/C=C/c2ccccc2)CC1 584900839 XLWLXNOUJFZBIP-UXBLZVDNSA-N 345.487 2.842 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1Br 270321940 HJMOXZKOZMDRJI-LBPRGKRZSA-N 340.221 2.574 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1F 270819379 DKDRRSNHHKWNFU-ZDUSSCGKSA-N 344.390 2.850 0 50 EFAA C[C@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@@H](C)C1 275847704 WTTCAKQPEBENPF-KBPBESRZSA-N 331.441 2.953 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@@H]2[C@H](C1)C2(F)F 408517586 MRJFXWNQKZHFBN-NEPJUHHUSA-N 335.379 2.861 0 50 EFAA CC(C)(O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 170090177 NVYDFFRHSRBEMM-AWEZNQCLSA-N 330.428 2.501 0 50 EFAA O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc2nc(S)oc2c1 170647555 PLOAHKZZUHODJH-JTQLQIEISA-N 344.396 2.602 0 50 EFAA COc1ccc(-c2cc(CN(C)c3ncnc4nc[nH]c34)on2)cc1 170610211 DTAKBYXAGPQWCD-UHFFFAOYSA-N 336.355 2.653 0 50 EFAA CCn1nc(CN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)c2ccccc21 668649912 OESKNEGIXFHXJQ-SJKOYZFVSA-N 341.415 2.710 0 50 EFAA O=C(CCc1ccccc1C(F)(F)F)N(C1CC1)[C@@H]1CCNC1 638142827 UWSOTGPVTQEVKK-CQSZACIVSA-N 326.362 2.991 0 50 EFAA C[C@@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CO 190363767 DSNPDVRMXRFTHU-IAQYHMDHSA-N 345.270 2.655 0 50 EFAA O=C(Cc1ccc(F)c(Br)c1)N1CC2(CCOCC2)C1 646009089 PLOGHJDLYUALBM-UHFFFAOYSA-N 342.208 2.770 0 50 EFAA O=C(COc1cccc(NC(=O)c2cn[nH]c2)c1)Nc1ccccc1 194720036 VHOMIJVUOVBXSU-UHFFFAOYSA-N 336.351 2.680 0 50 EFAA Cc1ccc2ncccc2c1CN1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616080327 LZQBKUDBNZLSQD-KKSFZXQISA-N 333.435 2.974 0 50 EFAA C[C@H](NC(=O)c1nc2c(s1)CCCC2)c1cn2ncsc2n1 1506400658 WEBRHXNUIMUECB-QMMMGPOBSA-N 333.442 2.617 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC([C@H](O)c2cccs2)CC1 1506417489 KMZKUJIWMFRDLG-KRWDZBQOSA-N 334.441 2.868 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1CCn1ccnc1C 1506421964 XAYCKEZMAJJRIC-INIZCTEOSA-N 329.448 2.545 0 50 EFAA 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CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C1(O)CCOCC1 242242365 XUEWJEWRUGSEGO-ZDUSSCGKSA-N 345.361 2.684 0 50 EFAA Cc1cc(C)c(CC(=O)NC[C@@H]2CCCN2c2cccnn2)c(C)c1 367385135 USTIXZBBFOUYTI-KRWDZBQOSA-N 338.455 2.730 0 50 EFAA Cn1ncnc1CN1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1 370208435 UWMQEELUFCBYFJ-HNNXBMFYSA-N 326.379 2.681 0 50 EFAA CN(C)c1ccc(-c2noc([C@]3(c4ccccc4)C[C@@H](N)C3)n2)cn1 904567754 MWGFMOYIONESAV-RHDGDCLCSA-N 335.411 2.605 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)c1cc(C(F)(F)F)cnc1O 820935317 JYKMNJPAPIAYIK-CYBMUJFWSA-N 340.301 2.578 0 50 EFAA O=C(c1ccsc1C(F)F)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 821766613 FYFGMHICOAXVON-CQSZACIVSA-N 349.424 2.727 0 50 EFAA Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(N(C)C)n1 846796219 FZCCBCOXWAGGHM-FRRDWIJNSA-N 348.447 2.713 0 50 EFAA CC(C)Cn1cc(NC(=O)NCCCCc2ccnc(N)c2)cn1 952992204 BLVJRTSXWQZMCI-UHFFFAOYSA-N 330.436 2.661 0 50 EFAA NCc1ccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)cc1 1875282283 WCUSRYWDJJNGDD-ZWKOTPCHSA-N 338.407 2.795 0 50 EFAA O=C(Nc1ccccc1-n1cccn1)C1CC2(C1)[C@@H](C(=O)O)C2(F)F 1875370171 DRQGCAAGBUYKOG-XNVJVGRKSA-N 347.321 2.557 0 50 EFAA CC1(C)CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)S1(=O)=O 1875392481 DZDRNOMTELBXHL-ZIAGYGMSSA-N 325.405 2.660 0 50 EFAA C[C@@H]1CN(Cc2ccc3ccc(Cl)cc3n2)CCS(=O)(=O)C1 878514689 XOVGFLDFPKTSTH-GFCCVEGCSA-N 338.860 2.755 0 50 EFAA O=C(NCc1nnc([C@H]2CCCOC2)o1)c1ccc(F)cc1Cl 886086683 YPVWIFUZJXIIHL-VIFPVBQESA-N 339.754 2.686 0 50 EFAA c1ccc(Cn2nnc3c(N4CC(Cc5ccco5)C4)ncnc32)cc1 894735423 IXEOUSKBRKQWDM-UHFFFAOYSA-N 346.394 2.542 0 50 EFAA O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@H](C1)C2(F)F 1775999121 QHWRDACFEFUSJU-GJZGRUSLSA-N 341.423 2.972 0 50 EFAA Fc1cccc([C@@H]2CN(Cc3nnc(C(F)(F)F)o3)CCO2)c1 1775985749 BBOQJEAVYPZZPW-NSHDSACASA-N 331.269 2.801 0 50 EFAA CON(C)C1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 1775985546 NVYCNUQWKAHXBZ-UHFFFAOYSA-N 335.835 2.848 0 50 EFAA C[C@H](CNC(=O)N[C@H]1C[C@@H](CO)C1)c1ccc(Br)cc1 897077827 JRISTQQWDVMWET-GYSYKLTISA-N 341.249 2.623 0 50 EFAA COc1ccc2c(c1)OC[C@H](NC(=O)CCc1ccc(Cl)nc1)C2 2325718209 OVMXDSKNGQJJCF-CQSZACIVSA-N 346.814 2.796 0 50 EFAA CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)o1)c1ccccc1OC 2325850414 XQVFUDCSYBOGIX-LLVKDONJSA-N 343.339 2.513 0 50 EFAA CC(C)(C)c1ccc(OC[C@H](O)CS(=O)(=O)c2ccccn2)cc1 272179 BPAVGRICVDIEBC-HNNXBMFYSA-N 349.452 2.593 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 401318 ONRIKZMFHVWRLM-UHFFFAOYSA-N 337.426 2.754 0 50 EFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 2746706 FOOQUYYIEOARTM-HOTGVXAUSA-N 348.830 2.656 0 50 EFAA CC(C)[C@@H](NCC[C@@H](O)c1ccc(Br)cc1)C(=O)O 2862293 SVTQKESHECKABS-CHWSQXEVSA-N 330.222 2.571 0 50 EFAA O=S(=O)(Nc1ccc(Br)cc1)N1CCCCCC1 2890532 VWPMSHCJWZXGJB-UHFFFAOYSA-N 333.251 2.982 0 50 EFAA O=C(COc1ccc2c(c1)CCC2)NCc1ccc2c(c1)OCO2 3607353 UFMRYGUVLKKYBW-UHFFFAOYSA-N 325.364 2.599 0 50 EFAA COc1ccc(Br)cc1CN(C)C1CCN(C)CC1 3684167 JXLLHRSYNPUQRC-UHFFFAOYSA-N 327.266 2.984 0 50 EFAA Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 4731741 XIEQQAFVAMEXBV-OAHLLOKOSA-N 341.386 2.559 0 50 EFAA CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 4855686 UOZHBKWUTLZNLH-UHFFFAOYSA-N 338.473 2.536 0 50 EFAA CO[C@H](C)c1nc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cs1 246078000 DRFFXWMZHQZMCU-KWCYVHTRSA-N 346.518 2.638 0 50 EFAA Cc1c(-c2ccnc(N3CCCC3)n2)cnc2nc(-c3ccco3)nn12 54202077 NDBLZGITMWDILV-UHFFFAOYSA-N 347.382 2.750 0 50 EFAA O=C(COc1ccccc1)NCC1=CCCN([C@@H]2C=CCCC2)C1 65393604 WQGMWPRWMXYMSQ-GOSISDBHSA-N 326.440 2.922 0 50 EFAA Cc1ccc(F)c(NC(=O)CN(Cc2ccco2)C(C)(C)CO)c1 65423292 MOURZRZWQQMRLG-UHFFFAOYSA-N 334.391 2.939 0 50 EFAA CCc1nc(N)sc1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1 67771853 MDSHXDBBWXHXOA-MEDUHNTESA-N 325.478 2.547 0 50 EFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)Cc2noc(C3CCC3)n2)n1 67894015 BQIPIFFZABBBAB-CQSZACIVSA-N 342.447 2.539 0 50 EFAA O=C(CCN1CCC(Cn2cccn2)CC1)Nc1cccc(F)c1 65372983 RVQQRVDFVUBLFT-UHFFFAOYSA-N 330.407 2.763 0 50 EFAA CC(C)(C)n1ncnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 253395733 GOJIOPXRBBLJIZ-IUODEOHRSA-N 336.386 2.619 0 50 EFAA O=C1CCCCCN1CCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 67894210 SBVULRCYXMVGMV-KRWDZBQOSA-N 348.418 2.518 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N(C)C 67818876 MJWMMLSNZOJHGB-LJQANCHMSA-N 336.439 2.833 0 50 EFAA CCc1nnc2ccc(N3C[C@H](c4ccccc4C)OC[C@@H]3C)nn12 253423039 CFFVXZACHITCOB-GOEBONIOSA-N 337.427 2.962 0 50 EFAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1OCc1ccccc1 219924232 KXAIEVNBJFJCCP-IEBWSBKVSA-N 341.407 2.799 0 50 EFAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3ccccc3Cl)C2)n1C 72476802 DEOCCPJITDPDGU-OAHLLOKOSA-N 347.894 2.910 0 50 EFAA C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 119887323 JXAIGLDVRIMLLH-WMLDXEAASA-N 331.437 2.962 0 50 EFAA CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1 71376070 WNQJFSVZUXXUSE-LLVKDONJSA-N 340.379 2.791 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1c[nH]c2ccccc12 148658152 UTSSWGQTSNERCJ-SFHVURJKSA-N 334.375 2.749 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N(Cc1cccnc1)C[C@H]1CCNC1 328631907 KXUNJTGOGQQSIS-KRWDZBQOSA-N 335.451 2.822 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCc2[nH]nnc2C1 253405306 KHKBJVJSKKGCTQ-NHYWBVRUSA-N 328.416 2.641 0 50 EFAA Cc1cccc2[nH]c(CCN(C)c3ccnc(C(=O)NC4CC4)c3)nc12 71755080 WAAAAAOCKJCKQU-UHFFFAOYSA-N 349.438 2.837 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@H](C)N[C@H](C)C2)c2cnn(C(C)C)c2n1 153481332 WPWCOGHSIKNDNQ-OKILXGFUSA-N 343.475 2.958 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)Cc2ccccc21 361672523 VDVVUNYMUHKBSC-SFHVURJKSA-N 347.374 2.697 0 50 EFAA CCn1cc(CN(CCO)C(=O)c2ccccc2C(C)(C)C)cn1 357426990 PBHQFKYVGLNNKT-UHFFFAOYSA-N 329.444 2.835 0 50 EFAA CC(C)c1ccc(C(=O)NCCCN(C)c2ccccc2)c(=O)n1C 216168668 JOHMWUKUYYGALV-UHFFFAOYSA-N 341.455 2.765 0 50 EFAA Cc1ncc(C(=O)N[C@@H](CO)c2ccccc2)c(-c2ccccc2)n1 216372384 OTDGYENWUKWFIU-SFHVURJKSA-N 333.391 2.915 0 50 EFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc2ccccn2c1 152172452 GOTLEEUELLEOCT-IBGZPJMESA-N 347.418 2.860 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CSC(=O)N2)c(OCC(F)(F)F)c1 155329874 NAULXILVXVIYCP-SECBINFHSA-N 334.319 2.700 0 50 EFAA COc1ccc(-n2ccnc2-c2ccc(-c3cc[nH]n3)o2)c(OC)n1 72161294 PJAYIXQMHSDMEP-UHFFFAOYSA-N 337.339 2.935 0 50 EFAA COCc1nc(C)c(CNC(=O)c2cccc(OC)c2OC)s1 219858002 RVTUZXYQKZACFR-UHFFFAOYSA-N 336.413 2.545 0 50 EFAA CN(CCc1ccccn1)C(=O)c1cn(CCCc2ccccc2)nn1 72167634 FRTPLKUWFFMADC-UHFFFAOYSA-N 349.438 2.621 0 50 EFAA NC[C@@H]1CCCN1C(=O)/C=C/c1cc(Br)ccc1F 237960610 PPHZTFBZQUWVEV-UXONFWTHSA-N 327.197 2.551 0 50 EFAA Cc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1ccc2ncccc2c1 261943993 NDTBMYGQTHZCGR-UHFFFAOYSA-N 347.382 2.512 0 50 EFAA COc1cccc(CN2CCN(Cc3c(F)cccc3F)CC2=O)c1 72154403 LDMACOROTVRPFB-UHFFFAOYSA-N 346.377 2.818 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)cc1 262343349 XMSQFAYJYHWSLE-CXAGYDPISA-N 325.364 2.987 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](C)Cc3ccccc32)c1 332060087 PKJJLRZANGPYRE-AWEZNQCLSA-N 333.457 2.927 0 50 EFAA COc1ccc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)nn1 374953721 MPZRWOLAHPYJQD-INIZCTEOSA-N 335.766 2.850 0 50 EFAA COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCCC1 34925618 DZXFFSGYXRUIDR-MOPGFXCFSA-N 330.472 2.926 0 50 EFAA Cc1nnnn1CCCN1CCC[C@H](CCc2ccc(F)cc2F)C1 72160917 HFRZOBSPGRSCJR-OAHLLOKOSA-N 349.429 2.995 0 50 EFAA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)N3CCOCC3)cc2)n1 130009710 DNXJMLATIKLKCW-HNNXBMFYSA-N 328.416 2.592 0 50 EFAA C[C@@H](O)[C@H]1CCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C1 282918803 YFOLOOUDOCEXDP-ZBFHGGJFSA-N 341.411 2.895 0 50 EFAA C[C@H](c1ccncn1)N(C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 72125344 WYMNEKBGWANMSO-RZIFZGNASA-N 348.410 2.615 0 50 EFAA O=C1[C@H](n2c(S)nc3ccccc3c2=O)CCN1C1CCCCC1 130262122 CXJDCNXSWPINCL-OAHLLOKOSA-N 343.452 2.791 0 50 EFAA Cn1c(Cl)cnc1CN(Cc1ccccn1)[C@@H]1CCCNCC1 283785419 VKIMQRBRCKBUEB-OAHLLOKOSA-N 333.867 2.613 0 50 EFAA Cc1ccc2cc(CN3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)ccc2n1 284563080 HHXVMILOTYDPQZ-SXLOBPIMSA-N 326.440 2.905 0 50 EFAA CC(C)c1csc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)n1 222398248 QGBSUSUQVLGOBU-BPLDGKMQSA-N 345.468 2.774 0 50 EFAA Cn1ccnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1=O 240934388 JBSDXDKIDRMABB-VIFPVBQESA-N 344.362 2.640 0 50 EFAA COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(OC)c1 242106148 WHHTUYHHTKRLRE-SCGCMHLBSA-N 347.411 2.772 0 50 EFAA O=C(NCCc1ccc2c(c1)CCO2)N[C@@H]1CCOC2(CCCC2)C1 177911509 BKDKEBJXHWFMRL-QGZVFWFLSA-N 344.455 2.955 0 50 EFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1cnc2cnccn12 426503473 HXKDYAORJOAFPN-UHFFFAOYSA-N 337.358 2.517 0 50 EFAA Cc1ccc(OCc2nc(CC(=O)N3CCCOC3)cs2)cc1 288446764 OSFHJEYIUMOISM-UHFFFAOYSA-N 332.425 2.779 0 50 EFAA Brc1cnn(CCNC2CCC3(CC2)CSC3)c1 1364702800 DCOLAPMCERZPGK-UHFFFAOYSA-N 330.295 2.911 0 50 EFAA COc1ccc(OCC2CCN(C(=O)NCCSC)CC2)cc1 426646954 BXSUXWSLEGYDLP-UHFFFAOYSA-N 338.473 2.859 0 50 EFAA Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)ccc1Cl 220449505 YPSQGGUVYUPWSO-LDZOIKDWSA-N 333.819 2.624 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)c1 20602518 JJSQUKTZLDFODP-UHFFFAOYSA-N 327.837 2.511 0 50 EFAA Cc1ccc2nc(C(=O)NCCCN3Cc4ccccc4C3)cn2c1 91645656 AFIAYZIVTSJTAE-UHFFFAOYSA-N 334.423 2.778 0 50 EFAA CC[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nc(C)c(C)s1 95363011 ARSSHEFGCLLXNW-OAHLLOKOSA-N 349.500 2.976 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)c3cccnc3)c(=O)[nH]2)cc1 92046238 ISCUJUXKAMDSGZ-AWEZNQCLSA-N 348.406 2.974 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)n(C)n1 91364604 SNLIIBNWVITOAU-HNNXBMFYSA-N 332.492 2.613 0 50 EFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3cccc(C)n3)[nH]c2C1 95376297 WSVISKYCAIFRAF-CYBMUJFWSA-N 348.406 2.858 0 50 EFAA CC(C)N(C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 230589150 GYMRBIOKJGYCMZ-LAGYLCCXSA-N 341.455 2.503 0 50 EFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccncc2)C3)cc1 96152561 HYAOQSOHFGZOJR-UHFFFAOYSA-N 334.379 2.679 0 50 EFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1C 91603033 ASNBEDBZZXYTCN-SJLPKXTDSA-N 328.456 2.950 0 50 EFAA Cc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)c2nc(C)oc2n1 91690638 NYYVSBGAEJTGCP-UHFFFAOYSA-N 342.374 2.862 0 50 EFAA CC(C)c1nnc(CN2CCN(C(=O)c3cccs3)CC2)s1 296574623 QSPKNEYQAPXDEA-UHFFFAOYSA-N 336.486 2.681 0 50 EFAA C[C@@H](CC(=O)N1CC[C@@H](CN)C1)c1ccccc1Br 299739305 NEASLVAJUQKTJK-RYUDHWBXSA-N 325.250 2.750 0 50 EFAA Cc1nc(C)c(CCNS(=O)(=O)c2c(C)cccc2F)s1 184517747 DTZWDMPRLNGERG-UHFFFAOYSA-N 328.434 2.728 0 50 EFAA CC(C)c1nc(CN(C)C(=O)NCc2noc(C3CC3)n2)cs1 534655026 BBRSLCSAFSOIRF-UHFFFAOYSA-N 335.433 2.869 0 50 EFAA O=C(NCC[C@H]1CCCOC1)N1CCC(OCc2ccccn2)CC1 534634745 UYIJWTGPYVZEDL-MRXNPFEDSA-N 347.459 2.589 0 50 EFAA CCn1cnnc1CCNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 299791562 GQJATDNOIKQSMS-UHFFFAOYSA-N 345.300 2.820 0 50 EFAA CC[C@H](c1nc(COc2ccc(F)cc2)nn1CC)N1CCOCC1 822663272 DVKHLHHMJYWXRU-MRXNPFEDSA-N 348.422 2.799 0 50 EFAA Cc1nn(CCNC(=O)N2CC[C@@H](Oc3ccccc3)C2)c(C)c1C 584900571 PZNJYTBGZMCFSP-GOSISDBHSA-N 342.443 2.671 0 50 EFAA COc1ccc(Oc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cc2)cc1 952972990 BCGGWVGKJQUXEU-IAGOWNOFSA-N 331.343 2.642 0 50 EFAA CC(C)C1=NO[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)C1 952870381 YPTIGAUPULUIKT-SFHVURJKSA-N 345.443 2.899 0 50 EFAA CCc1ncc(S(=O)(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 952989384 QJDXAQMWIGUBTJ-GOSISDBHSA-N 347.484 2.961 0 50 EFAA CC(C)c1nnc(CNC(=O)c2csc(Br)c2)n1C 272428934 CRSBLWNXLCLNIO-UHFFFAOYSA-N 343.250 2.693 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)NO[C@H]3CCCCO3)CC2)c1 166945417 VCFRDPQWBTWJHH-KRWDZBQOSA-N 333.432 2.593 0 50 EFAA Nc1ncnc(N2CCCN(Cc3ccc(F)cc3)CC2)c1Cl 273106730 NBGZCDNOHLALLE-UHFFFAOYSA-N 335.814 2.564 0 50 EFAA Cc1cccc(NC(=O)CN(C)C(=O)c2c(F)ccc(F)c2F)n1 170083847 PERFWGHJENPMGK-UHFFFAOYSA-N 337.301 2.518 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@H](Oc3cccnc3)C2)cc1 170604501 GTHDXKWLDCYGEV-INIZCTEOSA-N 332.425 2.533 0 50 EFAA CC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccncc1 170615146 VOZZYQCQYCIIPS-KRWDZBQOSA-N 346.452 2.630 0 50 EFAA COC(=O)[C@H]1CCN(C(=O)NCCc2c(C)cccc2C)C[C@H]1C 191165051 MAJNLBHCRIKKHX-WBVHZDCISA-N 332.444 2.687 0 50 EFAA Cn1nc(CC(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c2ccccc21 653327422 YENVKYVIZQCFFF-HZPDHXFCSA-N 349.390 2.545 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCCC(=O)O)c1F 656525420 XIYGCSHOPPDQJL-CYBMUJFWSA-N 343.420 2.932 0 50 EFAA Cn1cc(-c2nnc(NCc3cccc(OC4CC4)c3F)o2)cn1 656773596 XPHLLQGDUWVTDX-UHFFFAOYSA-N 329.335 2.763 0 50 EFAA CN(C)C(=O)c1cccc(N2CCC([C@H](O)c3cccs3)CC2)n1 1506395507 JBYNQLWZAPCBBR-KRWDZBQOSA-N 345.468 2.795 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(F)c(Cl)c3)C[C@@H]12 1704297927 AUAANWDTRGQABJ-IAGOWNOFSA-N 326.843 2.758 0 50 EFAA COc1c(C)cnc(CN2CCC(c3ccn(C)c(=O)c3)CC2)c1C 1772810453 HBXKYPTXTCTPHU-UHFFFAOYSA-N 341.455 2.785 0 50 EFAA Cc1cc2ncn(C[C@H](O)COc3ccccc3C(=O)O)c2cc1C 5059839 QAJNMBNKWMZQCZ-AWEZNQCLSA-N 340.379 2.791 0 50 EFAA COc1ccc(-c2cnnc(NCC[C@H]3CCCCO3)n2)c(OC)c1 12576868 GOEFLYYGNKNCHD-CYBMUJFWSA-N 344.415 2.927 0 50 EFAA O=c1c2c(nc3n1C[C@H](CO)S3)-c1ccccc1CC21CCCC1 15746521 LIJZPRPOMNPSOR-CYBMUJFWSA-N 340.448 2.745 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(c4ccccc4)C3)n[nH]c21 1857528584 KMDQSFVDOWAZFW-OLZOCXBDSA-N 325.412 2.846 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(c1ccnc(C(=O)O)c1)CC2 1857695483 LKVCXANBPFYODI-UHFFFAOYSA-N 348.406 2.786 0 50 EFAA CCCOc1ccccc1CN1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1875244731 RLIVFIXLEPFNJJ-UYAOXDASSA-N 347.455 2.913 0 50 EFAA COc1cc(CNC[C@H]2CCCN2C)ccc1OCc1ccncc1 237278484 QJUQNFJKEICKOL-GOSISDBHSA-N 341.455 2.853 0 50 EFAA Cc1cc(Br)cc(C(=O)Nc2nnc3n2CCCC3)c1 135527130 NUYDLFDRINEEPW-UHFFFAOYSA-N 335.205 2.938 0 50 EFAA CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)CCO1 353785663 JDHYYRWWWGNYQB-BSGVFPLJSA-N 338.473 2.551 0 50 EFAA Cc1cnc2c(cnn2Cc2nc([C@@H]3CCOC(C)(C)C3)no2)c1 904089954 AOFRYTSOVBBBKC-GFCCVEGCSA-N 327.388 2.844 0 50 EFAA COc1ccnc(CNC(=O)[C@]2(c3ccccc3)CCCO2)c1F 825335535 SIQRPCMYTVZHHA-GOSISDBHSA-N 330.359 2.551 0 50 EFAA CC1(C)CN(C(=O)NCCOCC(F)F)[C@@H]1c1nccn1C1CC1 952891843 JBMDHSIMGCVKAU-CYBMUJFWSA-N 342.390 2.592 0 50 EFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnc(F)cn1 952994869 WJBUTYZKBNWGRK-VIFPVBQESA-N 329.301 2.530 0 50 EFAA Cn1nccc1NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1875280144 WRJHFOZXYLJFOF-UHFFFAOYSA-N 341.820 2.663 0 50 EFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc2c1COC2 1875293141 DMPLYHDRMOCRME-OAHLLOKOSA-N 336.391 2.532 0 50 EFAA COc1ccccc1NCCNC(=O)c1cc(O)nc2ccccc12 1875337363 SOEGYRVWNDVLCW-UHFFFAOYSA-N 337.379 2.791 0 50 EFAA COc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCNC[C@@H]3C)s2)cc1 1875310824 DGAVVKUQDMQIBC-WFASDCNBSA-N 345.468 2.889 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)cnn1-c1ccccc1 888077144 NCTWADRGBOFSAT-QGZVFWFLSA-N 348.410 2.530 0 50 EFAA COc1ccccc1/C=C/CN[C@@H]1C[C@@]2(C[C@H]1O)CN(C)[C@H]2C(C)C 1775956903 OZCFTUNYRAEOND-RYZLVETPSA-N 344.499 2.778 0 50 EFAA COc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2C(F)(F)F)c(C)c1 1775986750 STGFWNKNMUYVGI-UHFFFAOYSA-N 349.334 2.855 0 50 EFAA CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC 76260 LBNIONXZNRDQCF-UHFFFAOYSA-N 337.397 2.745 0 50 EFAA Oc1cc(-c2nc(C3(Cc4ccccn4)CC3)no2)nc(C2CC2)n1 2325774446 BSTBOLXIGUCKBC-UHFFFAOYSA-N 335.367 2.779 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)Cc3ccnc(CN)c3)c2C)c1 2325801160 YWEGDIPNKDHLJU-UHFFFAOYSA-N 349.438 2.832 0 50 EFAA COCCn1nc(-c2ccccc2)nc1[C@@H]1CCN2CCC[C@@H]2C1 2325849674 XKJOUCGGTJTZGX-IAGOWNOFSA-N 326.444 2.933 0 50 EFAA O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 245287297 BVKXZEAIOIMDJE-RRFJBIMHSA-N 328.416 2.823 0 50 EFAA Cc1oc2c(c1C(=O)N[C@H](Cc1ccccc1)C(=O)O)CCCC2 36846 ZFEVXQOLLSVJSI-OAHLLOKOSA-N 327.380 2.893 0 50 EFAA CC(C)OC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 145860 VFOMBCQUWAJMFZ-UHFFFAOYSA-N 327.380 2.947 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1 366873 ONUFRSUNNVCMTN-UHFFFAOYSA-N 335.410 2.891 0 50 EFAA c1coc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 383149 NCXNRMAYYCXZDL-GFCCVEGCSA-N 326.337 2.958 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1C 6702652 AVBFFVUAYAXXGW-QGZVFWFLSA-N 326.352 2.732 0 50 EFAA CC(=O)c1ccc(N2CCN(CC3CCCCC3)[C@@H](CCO)C2)nc1 106987153 JIQDTTUQFMVPAZ-IBGZPJMESA-N 345.487 2.738 0 50 EFAA O=C1C[C@H]([C@H]2CCCCN2C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CN1 225453322 JTOGCYCYCONMDV-ZOFXXKQRSA-N 333.476 2.513 0 50 EFAA CNc1ncccc1CN(CCCn1ccnc1)Cc1cccnc1 55107835 ISFUZJYORURKCV-UHFFFAOYSA-N 336.443 2.807 0 50 EFAA Cc1ccc(-n2cnnc2)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 343999271 FQSDYOFOSOXXPN-LBPRGKRZSA-N 338.333 2.990 0 50 EFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1Cl 101358008 AUAYQCODRLOXOU-NBLIUIFLSA-N 345.782 2.828 0 50 EFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc2ccccc2n1C 55401336 DSLSCJLCQHQONJ-QGZVFWFLSA-N 337.423 2.987 0 50 EFAA O=C1C[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CN1 20599966 MYYCEJJMOQBSKF-WMLDXEAASA-N 328.799 2.682 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc(OC)c1 20540684 FJLOIPXGXVXKIV-SFHVURJKSA-N 348.487 2.515 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](CCO)CC2)c1 421013492 JLOSPOWJDWOVNS-GDBMZVCRSA-N 332.444 2.701 0 50 EFAA C[C@H](COc1ccccc1)NC1CCN(C(=O)c2ccco2)CC1 65370048 CTTIRRJORFJTFO-OAHLLOKOSA-N 328.412 2.941 0 50 EFAA CNC(=O)CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67804675 RKFCLGLBEBILQU-UHFFFAOYSA-N 346.814 2.653 0 50 EFAA CC(C)Cc1nc(CN2CCCC2=O)n(-c2cc(F)ccc2F)n1 65462375 UVGHXZUARHPGGQ-UHFFFAOYSA-N 334.370 2.866 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)C2CCCC2)c1 63844865 JTVVSANAGBUAQS-UHFFFAOYSA-N 331.460 2.982 0 50 EFAA CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-c2nncs2)cc1 252496321 PGPNPTJHNFNTJW-WDEREUQCSA-N 347.444 2.630 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3cc4[nH]ncc4cc32)cc2c1OCO2 65375338 PYIBREZPQLUVTK-LLVKDONJSA-N 337.335 2.774 0 50 EFAA O=C([C@@H]1CCNC1)N1CCC[C@H]1Cc1ccc(Br)cc1 153356675 ADEKDESWGLRTFH-HIFRSBDPSA-N 337.261 2.592 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 281406653 NWOQGFHKCPHGEG-GUDVDZBRSA-N 330.472 2.904 0 50 EFAA COC(=O)C[C@@H]1CN=C(Nc2ccccc2)N(c2ccccc2)C1=O 72406648 OBBBFHLYAZVQDA-CQSZACIVSA-N 337.379 2.681 0 50 EFAA O=C([C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1)N1CCCC1 229898727 SMFLUQUQKGCKPW-KBAYOESNSA-N 344.430 2.790 0 50 EFAA COc1cccc2c1CC[C@H]2NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 229949013 AKOITJFHVGGYHD-JKIFEVAISA-N 329.444 2.561 0 50 EFAA Fc1ccc(CN2CCCC[C@@H]2CN2CCOCC2)c(F)c1F 215349893 IVUMFVIRKPDJDF-CQSZACIVSA-N 328.378 2.791 0 50 EFAA Cn1cc(C(=O)N[C@H](CC(N)=O)c2ccccc2)c2cc(F)ccc21 358462795 ZBUSPQOWORUGHM-MRXNPFEDSA-N 339.370 2.664 0 50 EFAA COc1cc2c(cc1CN(C)CCC1(O)CCCC1)OCCCO2 215877135 KHEOYWFSIGQPBO-UHFFFAOYSA-N 335.444 2.984 0 50 EFAA O=C(c1cccc(-n2ccnc2)c1)N1CC[C@@](CO)(c2ccccc2)C1 366065664 CUPXUBGAGYNBIC-OAQYLSRUSA-N 347.418 2.649 0 50 EFAA Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 376254004 JCDWMDLENFDZDJ-BMIGLBTASA-N 345.226 2.765 0 50 EFAA COc1ccccc1N1CCN(Cc2cccc3nonc23)[C@H](C)C1 72166320 NBKNMEMLRMVNPK-CQSZACIVSA-N 338.411 2.942 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 72147743 MIBJOYKHEBCQMT-QGZVFWFLSA-N 339.443 2.777 0 50 EFAA O=C(c1ccc(CN2CCCCCC2)cc1)N1CCn2cncc2C1 72157664 BPCOXVPYMLQFQL-UHFFFAOYSA-N 338.455 2.915 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 158935219 PJLKBLDZOOFLMR-ZDUSSCGKSA-N 332.835 2.597 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 377300568 WJARYAVBVXGFLW-SFHVURJKSA-N 337.427 2.541 0 50 EFAA C[C@H](NCCc1nnc2n1CCCCC2)c1ccc([S@@](C)=O)cc1 126658323 GYLHGNDJHOPCAQ-BSEYFRJRSA-N 346.500 2.635 0 50 EFAA C[C@H](NCCc1nnc2n1CCCCC2)c1ccc([S@](C)=O)cc1 126657836 GYLHGNDJHOPCAQ-LFPIHBKWSA-N 346.500 2.635 0 50 EFAA C[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCOc3cc(O)ccc3C2)CCC[C@H]1C 332797154 QDRVBBFIRCBEMG-FSZRXZPDSA-N 346.471 2.916 0 50 EFAA CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccnn1C 77538078 TUKPVFGKZMBCKN-CQSZACIVSA-N 339.399 2.670 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O 77488293 TZLFQBXYBNQKQF-CQSZACIVSA-N 331.416 2.697 0 50 EFAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 1363795167 RBNPYUXXGWFAKJ-GOEBONIOSA-N 333.453 2.730 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 77291260 ORCOOZDQOKHWTH-OAHLLOKOSA-N 346.496 2.947 0 50 EFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@@H](N)C2)cs1 237738287 OLBIZVCZAQWBCH-LQYUOIDQSA-N 343.452 2.603 0 50 EFAA CC(C)c1ncc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)s1 263128607 SQXCDNNENWEBGY-AWEZNQCLSA-N 346.408 2.757 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)COc2cccc(C)c2)c1 337512059 MQEMJDYQXBPDKG-APWZRJJASA-N 341.407 2.717 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C2CCOCC2)C1 339083374 QGGOXNLFALRXGG-UXHICEINSA-N 342.483 2.926 0 50 EFAA O=C(c1ccc2ccccc2c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286252941 LDXNHFSRQVRWNC-IPMKNSEASA-N 325.408 2.842 0 50 EFAA CC(C)n1cccc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1 220066099 GDPMAAIRZBCMDV-QGZVFWFLSA-N 333.476 2.786 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cnn4ccccc34)CC2=O)cc1 82121223 JDJRXWSOUHMUMN-HNNXBMFYSA-N 348.406 2.520 0 50 EFAA Cc1ccc2[nH]c(CCNC(=O)[C@H](O)c3ccc(F)cc3)nc2c1C 220663701 NLUJORNZMVKEPD-GOSISDBHSA-N 341.386 2.711 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(F)cc1F 176896736 NWYASYXSFXNVSW-INIZCTEOSA-N 331.318 2.545 0 50 EFAA COC(=O)[C@@H](c1ccccc1)N1CCC(NC(=O)OC(C)(C)C)CC1 20246812 ZBZCXRUKPZPMDU-MRXNPFEDSA-N 348.443 2.890 0 50 EFAA Cc1ncsc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 222417801 DDFZFRHFXKIOQW-XUJLQICISA-N 344.436 2.628 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3csc(C)c3)cc2C1 426410475 JJCLWTMOULBEQM-UHFFFAOYSA-N 332.473 2.799 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2noc(C3CCCC3)n2)n1 426399049 OJSVZTVRMWXZJA-CQSZACIVSA-N 343.431 2.966 0 50 EFAA CC(=O)N1CC2(CCN(Cc3cc(C)cc(C)c3)CC2)C[C@H]1C(=O)O 82121406 TYFHBCWHQRLPGK-SFHVURJKSA-N 344.455 2.591 0 50 EFAA CO[C@@H](CNC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1cccc(Cl)c1 291119925 VODQZFZIPMWLTQ-OEAJRASXSA-N 338.835 2.582 0 50 EFAA COc1c[nH]c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1=O 97570807 ISSKYIVCCYPEIR-SECBINFHSA-N 340.301 2.893 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426360114 HRHPOGLPBXOJAH-KRWDZBQOSA-N 340.427 2.757 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCCC(=O)c1ccccc1)CC2 426550353 DURHRSNUQAXCGC-IMFGXOCKSA-N 345.439 2.571 0 50 EFAA COCCN(Cc1ccccc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O 91593886 AUFDQSHXMNIDKG-UHFFFAOYSA-N 348.830 2.934 0 50 EFAA CCCN(C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91459605 JYHLWHHWPWCQIH-UHFFFAOYSA-N 329.444 2.720 0 50 EFAA Cc1[nH]nc(CN2CCC(C(=O)NCc3ccccc3)CC2)c1Cl 97499688 ITFVBBFZQSLCRF-UHFFFAOYSA-N 346.862 2.900 0 50 EFAA OC[C@H]1CN(c2nc3ccccc3s2)C[C@H]1CN1CCCCC1 91575281 LQFULGBRRUDQFW-HUUCEWRRSA-N 331.485 2.827 0 50 EFAA CNc1cc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)ccn1 96130790 JWMDWEDXVFQUEZ-SFHVURJKSA-N 338.455 2.733 0 50 EFAA Cn1ccnc1C1CCN(C(=O)NCCc2ccccc2F)CC1 91548514 QAELCHYMWABYHX-UHFFFAOYSA-N 330.407 2.691 0 50 EFAA c1ccc2c(c1)C[C@H](CN1CCC(CN3CCOCC3)CC1)CCO2 95528398 UCBCYETYKYOQBX-LJQANCHMSA-N 344.499 2.672 0 50 EFAA CN(CCCn1cccn1)C(=O)C1CCN(C2CCCCC2)CC1 95355616 HODFFNZLYGJDGD-UHFFFAOYSA-N 332.492 2.776 0 50 EFAA Cc1ccc([C@@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)cc1 95370999 IYEYQBVNJVKULB-INIZCTEOSA-N 334.851 2.654 0 50 EFAA CCN1CCC(CC(=O)NC2CCN(c3ccccc3)CC2)CC1 95375410 UCWXJSUGMIWMQA-UHFFFAOYSA-N 329.488 2.894 0 50 EFAA COCCc1noc(CN2CCCC[C@@H]2CCc2ccccn2)n1 244887895 YQECSGLQKFBTQO-MRXNPFEDSA-N 330.432 2.641 0 50 EFAA COC(=O)[C@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)C(C)C 252572632 ZOWDVUBSUBYXQK-MRXNPFEDSA-N 344.411 2.510 0 50 EFAA CN(CCN1CCC[C@H](c2nnc3n2CCC3)C1)Cc1ccccc1 297596254 UNLJCEBZAWGDEK-SFHVURJKSA-N 339.487 2.536 0 50 EFAA CSc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 299774902 JLFMUTMGJIWXQS-MRXNPFEDSA-N 334.485 2.782 0 50 EFAA CN(C)CC1(O)CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 670455672 NSGPUAAGCYCDAW-UHFFFAOYSA-N 347.503 2.582 0 50 EFAA CCc1nccn1CCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 952964447 OCCWEIVJAQPDLZ-UHFFFAOYSA-N 328.416 2.613 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N1CCC(=O)C[C@@H]1c1ccccc1 408517626 OUFVRUABHKQXMH-MRXNPFEDSA-N 346.427 2.834 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)CC1 275901575 IMVBPTIDKVTBHB-RBUKOAKNSA-N 345.487 2.854 0 50 EFAA CS(=O)(=O)N[C@@H]1CCN(CC2CCC(c3ccccc3)CC2)C1 170602736 CHIXDIADMMPQGJ-VMWRSERWSA-N 336.501 2.584 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1cc(F)ccc1N1CCCCC1 673589256 XCOJLSJIRYCXPJ-CQSZACIVSA-N 333.407 2.813 0 50 EFAA Cc1ccc(CNC(=O)c2cscn2)c(-n2cc(Cl)cn2)n1 190332418 DVAULOGIWYQDRY-UHFFFAOYSA-N 333.804 2.616 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 190563698 MEURDANPSJRMEH-AWEZNQCLSA-N 332.473 2.682 0 50 EFAA CCn1cc(OCc2nnc(-c3ccc(Br)o3)o2)cn1 193557122 HGXHDDVWRONYPB-UHFFFAOYSA-N 339.149 2.888 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 194691357 KDDGKHLNAIWWQK-SJORKVTESA-N 329.444 2.921 0 50 EFAA COCc1csc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)n1 653539657 HDJKOJSBFIQILF-DVVUODLYSA-N 341.433 2.546 0 50 EFAA COc1ccc(NC2(C(=O)N3CCC[C@@H]3CO)CCCCC2)cc1 1506416424 GJFDJRAXEWCTQU-MRXNPFEDSA-N 332.444 2.793 0 50 EFAA CCCN1C[C@@H](Nc2cc(Sc3cccs3)nc(N)n2)CC1=O 1529152206 PZUYCTLPUPMZON-JTQLQIEISA-N 349.485 2.694 0 50 EFAA Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cnn1C 1529152936 NSDNFXUJIJTFGR-HNNXBMFYSA-N 340.427 2.844 0 50 EFAA Cc1ccccc1[C@H]1CN(C2CSCCSC2)C[C@@H]1C(=O)O 216856194 WXOAZXWCUCJIFH-CVEARBPZSA-N 337.510 2.944 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1C 230464356 JSPOWVULJIRHAV-DLBZAZTESA-N 331.460 2.629 0 50 EFAA COc1cc(-c2onc(NC[C@@H]3CCOC3)c2C(=O)O)ccc1F 1704314922 YGNXKNVVDPPZIP-VIFPVBQESA-N 336.319 2.636 0 50 EFAA Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)n3C)c(=O)n2c1 12421572 SQOQBGGLRBZVCA-UHFFFAOYSA-N 338.411 2.557 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12528548 VFLLXBZQTKFJOZ-INIZCTEOSA-N 339.439 2.844 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14898227 DSJOVTSTPGCLTK-UHFFFAOYSA-N 337.383 2.796 0 50 EFAA CCC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2)ccc1OC 16576644 XETVCSRAWMYKHK-UHFFFAOYSA-N 348.424 2.522 0 50 EFAA CCOC(C)(C)C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857668590 OQKBLJQANFCIGH-UHFFFAOYSA-N 341.455 2.829 0 50 EFAA Cn1ccnc1-c1nccn1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 1857695725 VNPPZORJEONKFD-CQSZACIVSA-N 341.802 2.915 0 50 EFAA O=C(c1ccc2nn[nH]c2n1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 416244828 RKJXBKFPHQOKGT-LLVKDONJSA-N 339.321 2.548 0 50 EFAA CC(C)Oc1cncc(N2CCC(NC(=O)c3ccccc3)CC2)n1 121046436 YETYZMXWSGOLMQ-UHFFFAOYSA-N 340.427 2.663 0 50 EFAA O=C(COCc1ccccc1Cl)N1CCC(c2ccn[nH]2)CC1 125441392 BUVMIXHNEHVAMF-UHFFFAOYSA-N 333.819 2.986 0 50 EFAA O=C(O)c1cccnc1CN1CCC(Oc2ccc(F)cc2)CC1 652404258 ADNZBVOAPVXDLO-UHFFFAOYSA-N 330.359 2.962 0 50 EFAA CC(C)NC(=O)[C@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)C1 662118596 HUCNEHQBIBXYRW-HNNXBMFYSA-N 344.434 2.748 0 50 EFAA CC(C)Cc1ccccc1C(=O)N[C@H](C)C(=O)NCc1ccco1 252482425 DEYVBUNIXDDBJA-CQSZACIVSA-N 328.412 2.913 0 50 EFAA CC[C@@H](CCO)NC(=O)c1cc2sc(N3CCCC3)nc2s1 684462103 VOBBMKQAOHVAPI-JTQLQIEISA-N 339.486 2.849 0 50 EFAA C[C@@H]1C[C@H]1c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1 366630032 FIQUXIZHYXWAED-BXUZGUMPSA-N 348.424 2.906 0 50 EFAA COC[C@@H](NC(=O)N1CCO[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 366658497 ZUAZRCXHVRLPKE-OAGGEKHMSA-N 338.835 2.990 0 50 EFAA CCn1ncc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)n1 815814542 LSIKOXUOXIKDAR-AWEZNQCLSA-N 325.372 2.807 0 50 EFAA C[C@H](c1ncccn1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 929559658 NNZAGOJYJAKWCX-QGZVFWFLSA-N 348.454 2.541 0 50 EFAA C[C@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(-n2ccnc2)cc1 1295515168 YQKVIQARDIHMEA-UZLBHIALSA-N 349.434 2.696 0 50 EFAA COc1ccccc1-c1noc(C[C@@H](O)COCc2ccccc2)n1 952847932 YGRVQVKYVSPNOV-OAHLLOKOSA-N 340.379 2.865 0 50 EFAA C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1Cc1nc[nH]n1 952993359 RJUJMLUZTKGSOO-RYUDHWBXSA-N 339.365 2.923 0 50 EFAA CN(CC(=O)N1CCC[C@](O)(c2ccccc2)C1)Cc1ccccc1 1875268660 IBXPOQABUHRAQZ-OAQYLSRUSA-N 338.451 2.629 0 50 EFAA O=C(O)c1ccccc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 1875260336 JAALEUCVHFSPGJ-UHFFFAOYSA-N 334.275 2.533 0 50 EFAA Cc1csc2c(N3CC(c4cc[nH]c(=N)n4)C3)nc(C3CC3)nc12 1875288085 NCBWDVFBKRZFHU-UHFFFAOYSA-N 338.440 2.683 0 50 EFAA O=c1onc(Cc2ccc(F)cc2)n1Cc1csc(C2CC2)n1 1875315794 HWXWFDSCCYEBET-UHFFFAOYSA-N 331.372 2.948 0 50 EFAA COC(=O)c1oc2ccccc2c1CSc1cnn(C)c1CN 1875324370 VPQRUGLUSPCQMI-UHFFFAOYSA-N 331.397 2.704 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)cn1 886097331 TZDZNWVXZQOWJE-QGZVFWFLSA-N 348.410 2.530 0 50 EFAA CN1C(=O)CC[C@@H](NCc2cccc(C3CC3)c2)[C@@H]1c1nccn1C 886093968 LGOSTWFWZSZVLJ-IEBWSBKVSA-N 338.455 2.749 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2cccc(C3CC3)c2)C1 888077706 QHCZQDWFKHNXIS-IAGOWNOFSA-N 325.412 2.818 0 50 EFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N(C)CC1CC(F)(F)C1 2325781769 JEASEOIOEKVJRQ-UHFFFAOYSA-N 340.399 2.969 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CNC(=O)C(C)(C)C3)cc2)c1C 2325792537 OKTOYNZISDXEKT-CQSZACIVSA-N 340.427 2.590 0 50 EFAA CN(C[C@@H]1CCCS1)C(=O)c1c(C(F)F)nc2cnccn12 2325802030 CNCSZRLFSZSBAB-VIFPVBQESA-N 326.372 2.635 0 50 EFAA CO[C@H]1CC[C@@H]1Cc1nc(-c2ccncc2)nn1CC(F)(F)F 2325849112 GXAYJZIZKWOKFX-NEPJUHHUSA-N 326.322 2.870 0 50 EFAA COc1cc2nc(-c3cccc(OC(C)=O)c3)oc(=O)c2cc1OC 261838 AKADXAMNCQAQFG-UHFFFAOYSA-N 341.319 2.798 0 50 EFAA COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 583258 QHOWBPFKWJKJQO-UHFFFAOYSA-N 335.381 2.591 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc(Cn4ccnc4)o3)C[C@H]21 2356165824 PSSXOXNNEPADHU-GMBSWORKSA-N 343.427 2.538 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(C)n(C(C)C)n2)C1=O 2356168168 RWPKGHUCKIJMRT-IBGZPJMESA-N 346.475 2.780 0 50 EFAA COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O 3870887 DDNPCXHBFYJXBJ-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1OC 6702293 XNQPYSVRPIZXBW-UHFFFAOYSA-N 339.388 2.809 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2ccc(Cl)cc2)C1 6745960 SGFKWWXGHHIVSD-GFCCVEGCSA-N 345.848 2.697 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1 134402367 CTQMHXJGKMVQCX-CQSZACIVSA-N 346.818 2.982 0 50 EFAA COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 171462426 XMZTXFPKWYSIKZ-VXGBXAGGSA-N 325.792 2.519 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](CCO)CC2)c1 421013502 JLOSPOWJDWOVNS-ZBFHGGJFSA-N 332.444 2.701 0 50 EFAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1 65393456 MXPBPOUZQOYAFV-GOSISDBHSA-N 338.407 2.889 0 50 EFAA Fc1cnc(-c2ccc(-c3ccn[nH]3)cc2)nc1N1CCOCC1 67675445 WQLKVRBULQAWFX-UHFFFAOYSA-N 325.347 2.509 0 50 EFAA CCSc1nnc(NC(=O)CN2CCC[C@@H]2c2ccccn2)s1 65492601 ZQHOLXWBSLASTO-GFCCVEGCSA-N 349.485 2.821 0 50 EFAA C[C@H](c1ccccc1)n1c(SCC(=O)O)nnc1-c1cnccn1 67770703 AYRRZKYXGXBNQQ-LLVKDONJSA-N 341.396 2.521 0 50 EFAA COC(C)(C)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67966082 WLSTXUXPOAYSOX-UHFFFAOYSA-N 335.354 2.665 0 50 EFAA Cc1cc(C)n(CCCNc2ncc(C)c(-c3cnn(C)c3)n2)n1 63847012 XIHULPHWUOKMNP-UHFFFAOYSA-N 325.420 2.501 0 50 EFAA C[C@H](OC[C@H]1CCCO1)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 229621411 LCULWRNWKOYPRF-GDIGMMSISA-N 343.423 2.574 0 50 EFAA Cc1oc(-c2ccsc2)nc1CN1CCN(C[C@H](C)O)[C@H](C)C1 251921360 AVNUBFQOBYDMBY-OLZOCXBDSA-N 335.473 2.598 0 50 EFAA C[C@H](C1CC1)n1cc(NS(=O)(=O)CCCC(F)(F)F)cn1 252496626 PNGNXEFFCZVVJR-SECBINFHSA-N 325.356 2.938 0 50 EFAA CCCc1nnsc1C(=O)N(C)Cc1cnc2ccccc2n1 219427368 CGQIQYAPFMYWMK-UHFFFAOYSA-N 327.413 2.706 0 50 EFAA Cc1cccc(CCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 280985908 SPXXMUUTUDSCMZ-RTBURBONSA-N 338.455 2.677 0 50 EFAA CC1=NN(C(=O)c2ccc(-n3cccc3)cc2)[C@@](O)(C(F)(F)F)C1 4151071 QRWYOLPKBHTXJZ-HNNXBMFYSA-N 337.301 2.950 0 50 EFAA CC(C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]1(C)O 71315240 ZVHSTJKPOCWHBT-FUHWJXTLSA-N 339.501 2.709 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3scnc3C3CC3)CCO2)o1 328614068 VEVCNVSNIXJWAI-NSHDSACASA-N 348.428 2.741 0 50 EFAA CCNC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71764978 OUCQZIDRROQPEP-MRXNPFEDSA-N 335.423 2.614 0 50 EFAA CC(C)(C)c1ccc(N2CCC(NC[C@]3(O)CCOC3)CC2)cc1 253417763 KZMUCZKNIVGYKD-HXUWFJFHSA-N 332.488 2.694 0 50 EFAA C[C@H](NCCN1CCCOCC1)c1ccc(OCC2CC2)c(F)c1 361348273 JBTGVCKKQAOUIK-HNNXBMFYSA-N 336.451 2.987 0 50 EFAA CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 489651721 QJCFPSGQLVMBMD-YESZJQIVSA-N 332.469 2.750 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CCO1 262707526 DQCCELCWWMPHIE-CQSZACIVSA-N 349.452 2.794 0 50 EFAA O=C(CC1CC1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1 72439346 LMRUFZIIVHBXGX-UHFFFAOYSA-N 343.423 2.800 0 50 EFAA O=S(=O)(C[C@H]1CCCC1(F)F)N[C@H]1COCc2ccccc21 333903391 JERSJNOBTXQQKN-OCCSQVGLSA-N 331.384 2.613 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)N1CCC[C@H]([C@@H]2CCNC2)C1 449213012 WORTZPADKVXRAQ-AOIWGVFYSA-N 328.456 2.539 0 50 EFAA O=C1[C@@H]2CCCCCN2C(=O)N1Cc1ccccc1Cn1ccnc1 372937627 WZZQZBVHJFCVIH-KRWDZBQOSA-N 338.411 2.638 0 50 EFAA N[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 157726122 RQRUMXXKZIMRKM-HNNXBMFYSA-N 326.371 2.620 0 50 EFAA Nc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n[nH]1 71761086 RIWULJOCUMTJAZ-LBPRGKRZSA-N 341.198 2.512 0 50 EFAA CN1C(=O)CN(C(=O)[C@@H]2C[C@@]2(C)c2ccccc2)[C@@H]1c1ccccc1 451269459 PIXPCFPRJQZNQM-DSKINZAPSA-N 334.419 2.964 0 50 EFAA COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C(=O)N1CCCCC1)c1ccccc1 242316994 YWKNDNUGXXZTEV-SQNIBIBYSA-N 344.455 2.672 0 50 EFAA COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1oc(C)nc1C 174682331 DJLSGPAWEXENLJ-GFCCVEGCSA-N 330.384 2.743 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)NCc1ccncc1C(F)(F)F 495524691 QALKKYFPSJTXLB-UHFFFAOYSA-N 347.337 2.631 0 50 EFAA Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1C 227156313 FOCMOZJOBQWBIP-UHFFFAOYSA-N 341.864 2.819 0 50 EFAA O=C(c1cc(F)cc2nccnc12)N1CC[C@@H](O)c2ccccc2C1 378628050 CDEOVRGULHQREQ-QGZVFWFLSA-N 337.354 2.848 0 50 EFAA Ic1ccc(OCCCn2ccnc2)cc1 13284758 SGFWNZQTFUHIRU-UHFFFAOYSA-N 328.153 2.957 0 50 EFAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cc(-c2ccccc2)on1 286213346 QOWNKKPNOBQTHK-RCCFBDPRSA-N 328.412 2.703 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286384397 QJADKCURYRXSQS-ATBMWHHMSA-N 343.467 2.959 0 50 EFAA CNCc1nnc(SCc2ccccc2OC(F)(F)F)n1C 426387217 FZSXJTZSWJZYBD-UHFFFAOYSA-N 332.351 2.725 0 50 EFAA CCC[C@H]1C=CCN1C(=O)c1ccc(-c2nc(=NC)c(F)c[nH]2)cc1 426370773 QNKWGMYKFKRORL-HNNXBMFYSA-N 340.402 2.927 0 50 EFAA O=C(c1csc(-c2cccs2)n1)N1CCC(n2cnnc2)CC1 85479086 LGDHRDRRPYBNLQ-UHFFFAOYSA-N 345.453 2.940 0 50 EFAA O=C(O)c1cc(Br)cc(I)c1F 162572840 HJSBIABPRGSFMI-UHFFFAOYSA-N 344.905 2.891 0 50 EFAA COC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(F)ccn23)c1 145388832 HKXLTDYAMNRUMA-UHFFFAOYSA-N 331.278 2.651 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCOc2ccc(CO)cc2C1 426593725 MFMWBTSILGOGBB-UHFFFAOYSA-N 339.391 2.539 0 50 EFAA CC(C)n1ccnc1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 91616431 KDGRMCTVIZXOOD-GOSISDBHSA-N 340.471 2.740 0 50 EFAA Cc1c(C(=O)NCC(C)(C)N2CCOCC2)[nH]c2ccc(Cl)cc12 96151192 VCCSJHVYRIRJRP-UHFFFAOYSA-N 349.862 2.970 0 50 EFAA CC(C)COc1cccc([C@@H](C(=O)O)N(C)Cc2cnccn2)c1 95378358 UPDQCNINKLBKKV-KRWDZBQOSA-N 329.400 2.769 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91934190 LWQNBSXCBKSCPF-INIZCTEOSA-N 335.411 2.674 0 50 EFAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 95521977 KJYUFRNVCIDKIC-INIZCTEOSA-N 329.448 2.916 0 50 EFAA c1cnc(SCc2ccc(-c3nc([C@@H]4CCOC4)no3)o2)nc1 96130509 KMBIODGHGJFEIE-SNVBAGLBSA-N 330.369 2.916 0 50 EFAA CCNc1ncc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1 91965690 QPMMPIFOICHGCS-QGZVFWFLSA-N 339.443 2.931 0 50 EFAA CCCOc1ccccc1CN1C[C@H](CO)[C@H](CN2CCCC2)C1 91643933 AOZUXMAKGLTWPX-RTBURBONSA-N 332.488 2.612 0 50 EFAA O=C1N[C@@H](C(=O)NCc2csc3c2CCCC3)Cc2ccccc21 97360138 WIZWQOCFENVKMD-MRXNPFEDSA-N 340.448 2.598 0 50 EFAA Cc1ncc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)n1 180493042 SSIABZYDSKDBKW-OAHLLOKOSA-N 338.455 2.830 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(Cl)cc2)CN1C(C)C 32577657 UXMXCTJTCJXSEY-SJORKVTESA-N 337.895 2.806 0 50 EFAA Cc1ccc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)n1C(F)F 299758543 MLWLQKLKVLWEAD-UHFFFAOYSA-N 341.402 2.816 0 50 EFAA CC(C)=CCC/C(C)=C/CN1C[C@@H](c2cn(C)nn2)[C@@H](CC(=O)O)C1 299783555 ZJKJLTWZNDZYOC-UFWNIKGBSA-N 346.475 2.998 0 50 EFAA Cc1cc(NCCN2CCC[C@H](CO)C2)c2cc(F)cc(F)c2n1 828711279 XYTNVIZFEMKVAH-ZDUSSCGKSA-N 335.398 2.938 0 50 EFAA CN1CC2(CCC1=O)CCN([C@@H]1CCN(c3ccccc3)C1)CC2 584901367 YYTOVOZQJBJXSK-GOSISDBHSA-N 327.472 2.600 0 50 EFAA Cc1c(NCCN2CCCCC2)nn2c(C(F)(F)F)nnc2c1C 301736026 HHYXQOJWEDHJFU-UHFFFAOYSA-N 342.369 2.658 0 50 EFAA CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@@H]1CCCOC1 408519337 AVHNBYKZDYIUBK-KGLIPLIRSA-N 328.453 2.565 0 50 EFAA CN(CC1(CO)CC1)C(=O)Cc1cc(Cl)ccc1Br 275872314 OSNYRZYARSQTHI-UHFFFAOYSA-N 346.652 2.876 0 50 EFAA CC(C)c1ncc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)s1 276339677 QJQOPSSBMANRTG-DGCLKSJQSA-N 334.445 2.650 0 50 EFAA Cc1noc(C)c1[C@@H](C)CNc1cc(N2CCSCC2)ncn1 277936148 WSRCFVZMZLYSJH-NSHDSACASA-N 333.461 2.850 0 50 EFAA O=C(CCCCc1c[nH]nn1)N1CCc2[nH]c3ccc(F)cc3c2C1 170597415 ROHIZBIJLKIPDR-UHFFFAOYSA-N 341.390 2.723 0 50 EFAA CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(c2ccncc2)=NO1 170611086 ALHIMNUSJRDDNS-GOSISDBHSA-N 339.395 2.678 0 50 EFAA CCc1nc(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)sc1C 666222048 DDDWJACSJDIUTN-ZDUSSCGKSA-N 344.440 2.723 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 187080616 VXNLENQSKDLQPU-LJQANCHMSA-N 345.418 2.680 0 50 EFAA COc1ccc(F)cc1CNC1CCN(Cc2cccnc2)CC1 187590694 OVXMXUDKSVXLKX-UHFFFAOYSA-N 329.419 2.984 0 50 EFAA O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccnn1C(F)F 667674811 QLKOPJSDRAWISR-UHFFFAOYSA-N 340.305 2.506 0 50 EFAA CCN(CC(=O)Nc1ccc(C)cc1)[C@@H]1CCN(CC(F)(F)F)C1 639821605 VEJPHUGAZRKGKD-OAHLLOKOSA-N 343.393 2.892 0 50 EFAA CCO[C@H]1C[C@](NC(=O)c2cccc3cc[nH]c23)(C(=O)O)C1(C)C 193039044 KRNBJDDUMKSYKF-UGSOOPFHSA-N 330.384 2.556 0 50 EFAA CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl 104290608 SESBKUBHSBNBDL-NWDGAFQWSA-N 338.256 2.917 0 50 EFAA CCC[C@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@@H]1C(=O)O 216909770 JWCWFPDWSJFJAN-ZFWWWQNUSA-N 335.375 2.748 0 50 EFAA CCOc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 13669961 VLDQEYAPDSUKDL-UHFFFAOYSA-N 334.397 2.709 0 50 EFAA COC(=O)c1ccc(CN2CCc3[nH]nc(C4CC4)c3CC2)cc1 1857673739 TYJCWAVTOVILDA-UHFFFAOYSA-N 325.412 2.675 0 50 EFAA CCOCCn1nc(-c2ccccc2)nc1[C@H]1CCn2nccc2C1 1857678614 PSEVUWGVXUFXLK-INIZCTEOSA-N 337.427 2.908 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C1CCN(c2ccc(F)c(F)c2)CC1 1857691341 HHHZJTWNQJZZJN-XJKSGUPXSA-N 349.425 2.629 0 50 EFAA O=C(N[C@@H]1CCc2c(O)cccc21)C1CCN(CC(F)(F)F)CC1 111600607 UASJZXNPNFGQSN-CQSZACIVSA-N 342.361 2.770 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1C 337152142 MCUGCCABCROBTL-DJIMGWMZSA-N 337.847 2.959 0 50 EFAA CC(C)(C)n1ncnc1CNC(=O)NCc1ccc(C2CC2)cc1 252478723 ATDNPYWJVYNWSS-UHFFFAOYSA-N 327.432 2.910 0 50 EFAA CNC(=O)CCCC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 156709828 IFPWFLCZAFTKJB-CYBMUJFWSA-N 338.835 2.626 0 50 EFAA C[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 266894920 VWOVMELKCQNSSI-MGPQQGTHSA-N 339.867 2.625 0 50 EFAA CC(C)c1ccccc1Cn1cc(CN2CCC(C(=O)O)CC2)nn1 900607726 MODIXXBXMUOTLA-UHFFFAOYSA-N 342.443 2.746 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@H]1C[C@@H]1CCOC1 903944308 KAMUFXMAMNFIJW-QWHCGFSZSA-N 339.819 2.666 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1CC1 905143489 JWQKQIXLJHUKKN-JOYOIKCWSA-N 339.237 2.884 0 50 EFAA COc1cc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)sn1 933714536 IXSWFIXYHVFYPT-SECBINFHSA-N 344.362 2.950 0 50 EFAA Cc1cnccc1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 941137724 ANQOIUBOIOUUOH-NVXWUHKLSA-N 343.471 2.937 0 50 EFAA CNC(=O)[C@@H](C)CN(C)c1nc(-c2ccccn2)nc2sccc12 858434936 TXFPMXPCIYBPDX-NSHDSACASA-N 341.440 2.572 0 50 EFAA Cc1cc(C(C)C)nc(N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1 865651030 MMWAPUDFDKNPBI-RDJZCZTQSA-N 329.448 2.734 0 50 EFAA C[C@H](NC(=O)C1CC2(CC(C(=O)O)C2)C1)c1nc2ccccc2[nH]1 1875277893 MENYRPZCHRGTFG-CBNZHMCXSA-N 327.384 2.631 0 50 EFAA CC(=O)NCc1cccc(CNC(=O)N2CCCC3(CCC3)C2)c1 1875261645 UOIDBPONEAFTRF-UHFFFAOYSA-N 329.444 2.798 0 50 EFAA Cc1cc(F)cc2c1N(S(=O)(=O)c1n[nH]c3ncccc13)CCC2 1875280109 UVDJQCCCLOMXMS-UHFFFAOYSA-N 346.387 2.547 0 50 EFAA Oc1cccc([C@H]2CCCN(C[C@@H]3CCc4nncn4C3)C2)c1F 1875307790 KKRFFCMVDFJDJO-KBPBESRZSA-N 330.407 2.565 0 50 EFAA CCc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ncn1 1875342668 BVEXBEQBGZECOQ-UHFFFAOYSA-N 325.347 2.545 0 50 EFAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccc(C3CCC3)cc2)C1 886088013 AKWYKZFEYIDVLG-FQEVSTJZSA-N 340.471 2.652 0 50 EFAA CO[C@@]1(c2nnc(-c3cc(C)n(-c4ccc(F)cc4)n3)o2)CCOC1 886086444 VARDHNMOGTXDRB-KRWDZBQOSA-N 344.346 2.632 0 50 EFAA C[C@@H]1C[C@H](O)CN1c1ccnc(-c2ccc(Br)cc2)n1 893427771 PHEMPRAYUZSYHV-MFKMUULPSA-N 334.217 2.866 0 50 EFAA CC1(C)CC[C@@H](CCNC(=O)Nc2cnn(-c3ccncc3)c2)OC1 1775994620 HLNKGKVXRTZFML-INIZCTEOSA-N 343.431 2.984 0 50 EFAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 237051035 SXBLWCDHTFYBSE-WBVHZDCISA-N 332.444 2.610 0 50 EFAA CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc4ccnn34)cccc21 2325779842 JELPJBAPCUFVDE-MRXNPFEDSA-N 336.395 2.972 0 50 EFAA COc1ccc2sc(-c3nccc(N4CC[C@H](N)C4)n3)cc2c1 2325796861 XNUBRHLJNXYITN-LBPRGKRZSA-N 326.425 2.904 0 50 EFAA CCOc1sccc1C(=O)NCC[C@H](C)NC(=O)CCSC 2325840343 YOUDRLALDBCFJH-NSHDSACASA-N 344.502 2.525 0 50 EFAA Cn1cnc2ccc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)nc21 888099287 FNIXTXWXFUEJFY-HNNXBMFYSA-N 338.386 2.955 0 50 EFAA c1ccc(COc2ccc(OCCOCCn3cncn3)cc2)cc1 2845327 RVALGLAFGAAIPF-UHFFFAOYSA-N 339.395 2.953 0 50 EFAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C(F)F)CC2)C1 225401224 OWSKAFCGMPVZFQ-GFCCVEGCSA-N 330.419 2.775 0 50 EFAA C[C@H](NC(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1cccc(O)c1 280224170 RCLSFQBWQVSLSF-JSGCOSHPSA-N 344.415 2.902 0 50 EFAA C[C@H](NC[C@H](O)C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 226565889 JILBACHVPBFHFY-TUAOUCFPSA-N 340.386 2.535 0 50 EFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H](C)n2cncn2)c1 55090129 QFGVMSZIAHHGRI-NSHDSACASA-N 349.822 2.613 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 100708560 HYGYOCNGQGEXPP-QGZVFWFLSA-N 345.395 2.666 0 50 EFAA COC[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC(C)(C)O1 343741005 WDLJTOMTBHLOHU-INIZCTEOSA-N 330.428 2.753 0 50 EFAA COCc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 55107706 FOMZXVQUNMFTJS-NSCUHMNNSA-N 330.407 2.914 0 50 EFAA CC(=O)N1CCC(N(C)[C@H]2CCCN(CCc3ccccc3)C2)CC1 23360923 BMGNUPJFKYMQHY-NRFANRHFSA-N 343.515 2.636 0 50 EFAA COc1ccc(CN2CC[C@H](CNC(=O)c3cccc(O)c3)C2)cc1 67588003 OYZYOXMFGRYMBT-MRXNPFEDSA-N 340.423 2.653 0 50 EFAA O=C(N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)C1(c2ccccc2)CCCC1 253394713 AOCZNTIYZQHSST-IPMKNSEASA-N 343.467 2.887 0 50 EFAA O=C(O)COc1cccc(C(=O)NCc2cccc3cccnc23)c1 432113812 RPKQGIGLFUKQOC-UHFFFAOYSA-N 336.347 2.628 0 50 EFAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 252551338 UCMCSWMBVYHQFS-QKPAOTATSA-N 343.489 2.703 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1cn2ccsc2n1 67909648 ZOJXXZAFXFJIAZ-CYBMUJFWSA-N 344.440 2.631 0 50 EFAA CC(C)(C)c1ccc(SCC(=O)N2CC(N3CCN=C3O)C2)cc1 329157036 DAGHVKPVZYBNSI-UHFFFAOYSA-N 347.484 2.517 0 50 EFAA O=C(C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)N1CCCC1 73276324 IIORRILJUABJOZ-UHFFFAOYSA-N 338.455 2.707 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cc[nH]n2)nc1 71738632 NMVHHJHMGGJEQO-UHFFFAOYSA-N 338.415 2.612 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCO2)o1 328610178 GUNLQXVBRBFLJC-HNNXBMFYSA-N 332.404 2.591 0 50 EFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccnn1-c1ccccc1 253420972 OCINCCHCFLLRTO-KRWDZBQOSA-N 335.363 2.941 0 50 EFAA Cn1nncc1C(=O)N1CCCCc2c(Br)cccc21 253431456 QCKJKLBNEDBXFE-UHFFFAOYSA-N 335.205 2.561 0 50 EFAA CCC(CC)N(C(=O)[C@@H]1COCCO1)[C@H]1CCCc2cccnc21 330282482 VIOJKBVAXXNCLJ-IRXDYDNUSA-N 332.444 2.892 0 50 EFAA CCC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 331061158 UFDGEAJIOZVUFE-XJKSGUPXSA-N 346.402 2.539 0 50 EFAA COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](C)C2)c2ccccc12 332320085 JJBKFALCLWCFNL-QWHCGFSZSA-N 335.425 2.694 0 50 EFAA CCc1nc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccc3n2n1 71385496 YVSNOQBGVDBDET-UHFFFAOYSA-N 334.383 2.509 0 50 EFAA CCCCOCC(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71776792 MTQBBIQVSDTSSP-GOSISDBHSA-N 346.471 2.843 0 50 EFAA Cc1cnc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)s1 172719184 WYQJJBZIBWYEQI-LBPRGKRZSA-N 349.481 2.824 0 50 EFAA COc1cccc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)c1 32095997 FOAYGSSQPGDKTD-UHFFFAOYSA-N 349.434 2.999 0 50 EFAA CC[C@H]1CN(c2nc(C3CCCCC3)ns2)C[C@H](C)S1(=O)=O 333764832 DGNODZROSLPYMW-AAEUAGOBSA-N 343.518 2.988 0 50 EFAA Cc1ncsc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 237527537 YGSHQEZPXOGTDM-NSHDSACASA-N 339.486 2.553 0 50 EFAA Cc1ccc2cc(CN[C@@H]3CCN(C(=O)c4cccnc4)C3)ccc2n1 376971916 OAAUSJWCGJRJHI-LJQANCHMSA-N 346.434 2.943 0 50 EFAA CN(Cc1cccs1)C(=O)Cn1ccnc1[C@@H](O)c1cccs1 239667340 BPPXBWUQSRKNFU-HNNXBMFYSA-N 347.465 2.746 0 50 EFAA CC(C)n1ncnc1CN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 239667143 BPBLKBLBPYFHTA-KBXCAEBGSA-N 334.464 2.803 0 50 EFAA Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3ccnc(N)n3)C2)o1 375073124 CGMROLDDJRFUNC-CYBMUJFWSA-N 338.415 2.730 0 50 EFAA CNc1nc(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)cs1 77318937 RUHHWPHHSJWEJG-CYBMUJFWSA-N 330.457 2.844 0 50 EFAA CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 72143184 ZPWFQQOXYXJMKN-GFCCVEGCSA-N 342.361 2.864 0 50 EFAA CCCc1cnc(C)nc1N1CCC[C@]2(CCC(=O)N(CC)C2)C1 72412126 ICSGPUJWOBRZAK-LJQANCHMSA-N 330.476 2.966 0 50 EFAA O=C(Cc1ccc(O)c(F)c1)N1CCCC[C@@H]1CCn1ccnc1 77437395 GWOVFVDYJQJSRI-OAHLLOKOSA-N 331.391 2.742 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](CC)C1 131361365 LTNOTCDKBKGDQN-WBVHZDCISA-N 344.455 2.948 0 50 EFAA O=C(CCc1ccc(-c2ccccc2)cc1)NC[C@H]1COCCO1 221381294 DXLAJGZQRGKOBK-IBGZPJMESA-N 325.408 2.818 0 50 EFAA C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 173745539 YVJWQKQTGPFPOG-LBPRGKRZSA-N 336.395 2.589 0 50 EFAA CCCc1occc1C(=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 263076281 PKZMWJCEJHRJRV-MRXNPFEDSA-N 329.352 2.723 0 50 EFAA COC[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)CC(C)(C)O1 285490330 MHPNEKOOTYOOLW-LBPRGKRZSA-N 345.798 2.510 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)c1cc([C@H]2CCOC2)ncn1 426701425 NQFSMEVIXRULEF-AWEZNQCLSA-N 337.383 2.667 0 50 EFAA CCN1CCC[C@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1 426489982 GAFDDVYAYSAQDF-FQEVSTJZSA-N 329.488 2.985 0 50 EFAA Cc1cc2[nH]c(CN3CC[C@H](c4cccc(Cl)c4)C3)cc(=O)n2n1 334159656 PIECTMCJWGZLLJ-AWEZNQCLSA-N 342.830 2.974 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)c1cc(=O)[nH]c2ccccc12 91546965 MWFQVLJLMKFGNB-GOSISDBHSA-N 334.375 2.572 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)CCCc2cccs2)C1 91320243 JMRJMJGQFMLLSY-KRWDZBQOSA-N 339.457 2.801 0 50 EFAA O=C1CCc2ccccc2N1CC(=O)N1CCC[C@H]1c1nccs1 95498467 UJHGAJOPZWOSHV-HNNXBMFYSA-N 341.436 2.786 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)CCc1cn2ccccc2n1 97475133 XWZACDAEVHAWON-KRWDZBQOSA-N 338.411 2.508 0 50 EFAA CNC(=O)[C@@H]1CN(CCO[C@@H]2CCCC[C@H]2C)c2ccccc2O1 239722396 CCQBEADGOQQNRH-KYJSFNMBSA-N 332.444 2.595 0 50 EFAA Cc1ccc([C@@H](C(=O)NCCNc2ncccc2C)N(C)C)cc1 91934272 PBYYIWCJBDFOMN-KRWDZBQOSA-N 326.444 2.529 0 50 EFAA CCOC(=O)N1CCC(N2CCc3cc(OC)c(OC)cc3C2)CC1 23282307 PYUYPQNTSBQEFJ-UHFFFAOYSA-N 348.443 2.683 0 50 EFAA CC(C)C(=O)Nc1ccc([C@H](C(=O)O)N(C)Cc2ccon2)cc1 95379013 GDSZXWDCZCANBX-OAHLLOKOSA-N 331.372 2.527 0 50 EFAA CCSc1nnc(NC(=O)CN(C)[C@@H](C)c2ccco2)s1 244633394 GCEMTPRXFWTSAJ-VIFPVBQESA-N 326.447 2.875 0 50 EFAA CCCc1cc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)no1 295151609 DFQPBWMYCWDWBV-CQSZACIVSA-N 326.755 2.883 0 50 EFAA COC[C@]1(C)CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 295335000 DGVKUZMDZRHQER-QGZVFWFLSA-N 335.354 2.854 0 50 EFAA CCCCc1nc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)no1 183535452 GEQPSQDUGMXVCT-MRXNPFEDSA-N 348.834 2.739 0 50 EFAA Cc1ccc(N2C[C@@H](Cc3ccccc3)N(CCCO)CC2=O)cc1 91964848 HGBLLTYEOFHTSA-HXUWFJFHSA-N 338.451 2.637 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)N1CC(Oc2cccc(Cl)c2)C1 299791009 CKWCTIORKDWCHJ-HIFRSBDPSA-N 334.847 2.804 0 50 EFAA COCC1(CN[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CCC1 824346798 FGGGFNMCCCQBCA-GOSISDBHSA-N 330.472 2.974 0 50 EFAA COc1ccc([C@]2(C(=O)NCc3csc(N)n3)CC2(C)C)cc1 584902318 YCQSRFXCBJOSQA-KRWDZBQOSA-N 331.441 2.718 0 50 EFAA C[C@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc(-n2cccn2)c1 1357286515 SKXJOISDZYNEKZ-AWEZNQCLSA-N 338.415 2.508 0 50 EFAA Cc1ccc(Cc2noc([C@@H]3CC(=O)N(CC(F)(F)F)C3)n2)cc1 273780274 VMRFFDPXKDBCFU-GFCCVEGCSA-N 339.317 2.847 0 50 EFAA O=C(NCCCn1cnc2ccccc21)N[C@@H]1CCOC2(CCC2)C1 269045212 FIYPTZJUCHJVJQ-OAHLLOKOSA-N 342.443 2.827 0 50 EFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N)C1 269172893 VXWQWESGRRDCJF-YPMHNXCESA-N 325.250 2.577 0 50 EFAA Cc1nc(C(C)C)oc1CNC(=O)CCNC(=O)OC(C)(C)C 408518086 TUWLSNQXKHXESI-UHFFFAOYSA-N 325.409 2.637 0 50 EFAA C[C@H](NC(=O)NCCc1nn(C)c2ccccc12)c1cccc(O)c1 185421807 WUYKIZOMYISNMG-ZDUSSCGKSA-N 338.411 2.882 0 50 EFAA CC(C)c1ccnc(N2CCN(CCOc3ccccc3)CC2)n1 185831485 HYCCUBZYCOVIAF-UHFFFAOYSA-N 326.444 2.801 0 50 EFAA Cc1cc(NC(=O)CN[C@H]2CCC[C@H]2Cc2ccccc2)n(C)n1 170607295 SZTPVVQREQEVGU-IRXDYDNUSA-N 326.444 2.668 0 50 EFAA O=C(c1nnc(C2CC2)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 631315763 WZIMXSMIQHEKJX-UHFFFAOYSA-N 337.383 2.843 0 50 EFAA CCCN1CCN(C(=O)c2ccc(Br)o2)C(C)(C)C1=O 186444283 BGUGYIZNMITCTK-UHFFFAOYSA-N 343.221 2.515 0 50 EFAA C[C@H](NC(=O)N1CCC(Cn2cncn2)CC1)c1ccc(F)cc1F 189895515 GXLMLQBRWCVABY-LBPRGKRZSA-N 349.385 2.739 0 50 EFAA O=C(O)COc1ccc(NC(=O)c2cnn3c2CCCC3)cc1Cl 191101040 CPTCVYSFCFCGCK-UHFFFAOYSA-N 349.774 2.589 0 50 EFAA CC(C)c1cccc2c1CCN(C(=O)NCCc1ccnn1C)C2 191435825 GYMCNPYLDNYTPV-UHFFFAOYSA-N 326.444 2.854 0 50 EFAA CC[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C)cc1 193180979 ARVLQXKUBABHCB-QGZVFWFLSA-N 339.443 2.768 0 50 EFAA C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc(N(C)C)nc1 648585100 QGVSTGOUFSFUGK-ACJLOTCBSA-N 343.402 2.889 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 868855713 KEODLOLHGVYBRU-ZWKOTPCHSA-N 342.439 2.824 0 50 EFAA CSCCONC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 794181281 RPBXFMMNJQWADQ-UHFFFAOYSA-N 337.441 2.680 0 50 EFAA CSc1cccc(NC(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)c1 1613882100 RNQMUEHLEYNFOT-RDJZCZTQSA-N 347.484 2.735 0 50 EFAA CCOc1ccccc1-c1nnc(NC(=O)CN2CCCCCC2)o1 1506403701 DBJXMUVTEHQCPF-UHFFFAOYSA-N 344.415 2.950 0 50 EFAA COc1ccc2c(c1)cc(C(=O)Nc1c3c(nn1C)CSC3)n2C 1529196939 JVZKIBPYBSZCDK-UHFFFAOYSA-N 342.424 2.920 0 50 EFAA OC[C@@H](O)C1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1 1772809683 CKHBBYYCRLWWJP-OAHLLOKOSA-N 340.345 2.823 0 50 EFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772811274 RXASHONHIFQUJQ-OAHLLOKOSA-N 341.455 2.752 0 50 EFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 5061051 WDUJCJHYIDETPG-UHFFFAOYSA-N 326.327 2.841 0 50 EFAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 11821604 KSZIBNGVVZUJFA-MRXNPFEDSA-N 343.471 2.968 0 50 EFAA COC(=O)c1ccc(CN2CC[C@@H](N3CCCCC3)CCC2=O)cc1 12329678 QCSFURKJIPTRTR-SFHVURJKSA-N 344.455 2.840 0 50 EFAA CCCCc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1 14291567 XZAFLNASJKXOIN-UHFFFAOYSA-N 346.387 2.885 0 50 EFAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1 14882955 KAVSRJBHZURNJR-LJQANCHMSA-N 344.386 2.707 0 50 EFAA CCCn1nc(C)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857667043 KXLWZGVTBHIMHU-CQSZACIVSA-N 340.431 2.992 0 50 EFAA CC(C)n1cnnc1COc1ccc2c(c1)CCOC21CCNCC1 1857681679 IYXXGVICESXCPV-UHFFFAOYSA-N 342.443 2.589 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(CC3CCC(F)(F)CC3)C[C@]23CC[C@H]1O3 1857741452 TWFKHAQFEVOKQX-YLFCFFPRSA-N 328.447 2.853 0 50 EFAA CC(C)[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1Cl 115833957 PLALNDVQCOIBFE-BLLLJJGKSA-N 347.850 2.943 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c(=O)[nH]1 118700595 KJQBMLAOLSYYLM-IRXDYDNUSA-N 342.395 2.618 0 50 EFAA C[C@@](NC(=O)c1ccoc1)(C(=O)O)c1cccc(Br)c1 736661585 XKFUFACMNAAYOA-AWEZNQCLSA-N 338.157 2.772 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2F)nn1 643894055 UQXVUIPXJVBWOJ-INIZCTEOSA-N 328.391 2.588 0 50 EFAA COc1ccc(OC)c(COC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)c1 12420208 WSYOLZVNRJITHS-HLLBOEOZSA-N 337.460 2.844 0 50 EFAA C[C@@](CO)(CNCc1ccc(N2CCCC2)nc1)c1ccccc1 342223561 IEWUGZAYKBNQRO-FQEVSTJZSA-N 325.456 2.722 0 50 EFAA COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C(=O)O)cc1 345991763 ICMKRVZXCVTSTE-MRXNPFEDSA-N 333.771 2.833 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc2c1CCC2 346442838 ZUUUTSZZPACCFN-LJQANCHMSA-N 334.419 2.706 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 252497435 QHPGQVUNPUUWNA-GVDBMIGSSA-N 335.469 2.552 0 50 EFAA C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)[C@H]1CO 252572368 ZDBQVGVJPZRCSS-LZQZEXGQSA-N 339.439 2.778 0 50 EFAA O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CSCN1 153522257 XHOPQXACUCQLMN-GOSISDBHSA-N 342.464 2.682 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)n1 262402949 BESOVZUSKHGRRN-RDTXWAMCSA-N 341.411 2.662 0 50 EFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)c1ccnn1CC1CCC1 902015462 JEIQTSYJZOHVLB-HZPDHXFCSA-N 339.395 2.726 0 50 EFAA Cc1ccc2ncccc2c1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704305386 VIPUSMUVSXZBIS-NHCUHLMSSA-N 339.483 2.822 0 50 EFAA Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)O)cc1-c1ccc(F)cc1 907728847 RDRMJXLJEBBEID-UONOGXRCSA-N 345.374 2.599 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910203792 BABCZJHRMAIORP-INIZCTEOSA-N 326.352 2.685 0 50 EFAA CCn1cc(CC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)nn1 823811084 CLQZGYDPFYYNSX-UHFFFAOYSA-N 337.427 2.507 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)c(N(C)C)n1 930504574 JSWVGDZZQJGFRA-AWEZNQCLSA-N 342.447 2.601 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)Nc1cc2n(n1)CCCC2 931400184 UWFZEPXAMPKVHY-GFCCVEGCSA-N 339.399 2.594 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccn2cn1 935864572 HEQKERGLOABFSD-VHRNVKJDSA-N 335.411 2.619 0 50 EFAA COC1(c2ccccc2)CN(C(=O)c2ccc(OC(F)F)nc2)C1 935965750 AZUJLNNEDBYYSZ-UHFFFAOYSA-N 334.322 2.681 0 50 EFAA Cc1cc(C)c([C@@H](CO)NC(=O)c2ccc(C(=O)O)s2)c(C)c1 1875277242 FUKUDNUGMKHMEF-GFCCVEGCSA-N 333.409 2.835 0 50 EFAA O=C(COc1ccccc1F)N1CCC(O)(CCC(F)(F)F)CC1 1875274647 PKJCNWJCGXLOJF-UHFFFAOYSA-N 349.324 2.901 0 50 EFAA CN(C[C@H](O)CF)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 1875281592 JDWQQXJROLDTED-SJORKVTESA-N 334.366 2.768 0 50 EFAA CO[C@@H](C)c1cn(-c2cccc(CNC(=O)[C@@H]3C=CCC3)c2)nn1 1875323441 IYXQHIOUKWTYJP-DZGCQCFKSA-N 326.400 2.557 0 50 EFAA CN1C(=O)CC[C@H](CNC/C=C/c2ccccc2)[C@H]1c1cnn(C)c1 886079489 CPTPWJJVDZTKJI-ARGQNCHBSA-N 338.455 2.633 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)c2c1CCC2 888380647 VTHBLHALFYYRAF-CYBMUJFWSA-N 335.469 2.569 0 50 EFAA C[C@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)CCN1c1ccccc1 890190410 PMGGRQQIPMSGHK-NSHDSACASA-N 338.333 2.779 0 50 EFAA Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NC[C@@H]2CCC=CCCC2)n1 896053073 AOKKVEDNNYNZOR-QLFBSQMISA-N 334.420 2.644 0 50 EFAA Cc1ccc(CCC(=O)Nc2n[nH]cc2C(=O)NC2CC2)cc1Cl 900094502 FWKADXRBBCFAKU-UHFFFAOYSA-N 346.818 2.835 0 50 EFAA O=C(NC1(CCO)CCCCC1)c1ccncc1Br 330956451 KDUNWFFYIDMALQ-UHFFFAOYSA-N 327.222 2.659 0 50 EFAA CN(C)[C@H]1C[C@H](C(=O)N[C@H](c2ccncc2)c2cc(F)ccc2F)C1 2325784965 WQMHFWVIAHSNPN-DDUZABMNSA-N 345.393 2.906 0 50 EFAA CC(C)(C)c1ccnc(CN2C[C@@H](CC(=O)O)OC3(CCC3)C2)c1 2325791917 INICFKFRBMRJOZ-MRXNPFEDSA-N 332.444 2.977 0 50 EFAA Cc1cc(C)n(-c2ccnc(NC[C@H](N)c3ccc(F)cc3)n2)n1 2325858140 ANGAIJSWVHTJSC-HNNXBMFYSA-N 326.379 2.530 0 50 EFAA O=S(=O)(O)c1nc2ccccc2n1CCOc1ccc(F)cc1 4386079 HDESYLVECBHVLM-UHFFFAOYSA-N 336.344 2.501 0 50 EFAA COc1ccc(-c2noc(CNC(=O)CCc3ccccc3)n2)cc1 4855553 KHCOEVIRLQFCGF-UHFFFAOYSA-N 337.379 2.994 0 50 EFAA C[C@@H]1CN(CCO)CCN1Cc1cccc(Br)c1Cl 411862304 FZFCAOLHIJUIAN-LLVKDONJSA-N 347.684 2.601 0 50 EFAA COc1ccccc1N1CCN(CC(=O)Nc2ccccc2F)CC1 55556935 YOENUBYVNFLPCT-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA O=C(NCCCc1nc[nH]n1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 225484254 ZNDABWKMPNGZOU-KBPBESRZSA-N 340.431 2.548 0 50 EFAA O=C(NCCCc1nc[nH]n1)Nc1cccc(OCC(F)(F)F)c1 225523920 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COC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccn1 65508259 NTLWIAZLNRYVSE-SFHVURJKSA-N 336.395 2.759 0 50 EFAA Cc1ccc2nc(CNC(=O)COc3ccccc3O)[nH]c2c1C 67741899 SXVSZWCUTWPDHP-UHFFFAOYSA-N 325.368 2.581 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCCN(c2cccnn2)CC1 171810082 NZJMJSMAQDQEJM-UHFFFAOYSA-N 347.422 2.824 0 50 EFAA C[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)n1cnc2ccccc21 324637168 WFKBVSHWADGVDY-UONOGXRCSA-N 329.400 2.701 0 50 EFAA COc1cc([C@H](N)CC(=O)O)ccc1OCc1cnc(Cl)s1 4408477 ZHJHJKWOHLTZEQ-SNVBAGLBSA-N 342.804 2.859 0 50 EFAA CN(C)CCCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 252483727 FHKPXKVNOUHRPG-IBGZPJMESA-N 329.488 2.994 0 50 EFAA COCCCn1c(S)nnc1Cc1ccc(Br)cc1 6640796 QWEFWZOHZNDGDD-UHFFFAOYSA-N 342.262 2.957 0 50 EFAA Cn1ccnc1SCCNC(=O)c1cc(-c2ccccc2)on1 77341563 MDKMEIBXPCBDST-UHFFFAOYSA-N 328.397 2.597 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)Cc1cnc(N2CCOCC2)s1 215813579 SNOTTXSGMYIFFM-QGZVFWFLSA-N 347.484 2.535 0 50 EFAA Cc1oncc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 375437120 IRKKWHDEMPPLDH-OAHLLOKOSA-N 332.404 2.987 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1 282233772 VAZCWYDZSDFPQZ-VIBAHUMZSA-N 345.439 2.875 0 50 EFAA CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H]1C(=O)O 237253387 FNEFHPORMXPDLI-CYBMUJFWSA-N 345.226 2.501 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C(=O)O)C1 237652277 CQVMQOQXECKDRJ-GFCCVEGCSA-N 348.399 2.728 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)c1nc(C)sc1C)C2 215116787 ANFKLDFPFXBFRE-LBPRGKRZSA-N 332.425 2.750 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(-c2ccco2)on1 374294582 HFPBAEZJPFCFCK-AWEZNQCLSA-N 328.372 2.848 0 50 EFAA COCCn1cnnc1[C@@H](C)n1ccnc1-c1cc(F)ccc1OC 72143791 MXCSZDPYKSNWSG-GFCCVEGCSA-N 345.378 2.545 0 50 EFAA Cn1nc([C@H]2CCCN2Cc2csc(C3CCCC3)n2)nc1N 284446554 ZTNPGVDVZOHGBT-CYBMUJFWSA-N 332.477 2.849 0 50 EFAA C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1ccon1 496115297 PATJOLYNBABLQW-CYBMUJFWSA-N 349.431 2.926 0 50 EFAA C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@@H](CCC(=O)O)C1 263204340 XWOURJGVYCCWCV-NRKLIOEPSA-N 338.492 2.893 0 50 EFAA CCOC[C@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 176004263 GGHVBDQOCDQMDJ-HNNXBMFYSA-N 346.406 2.579 0 50 EFAA CC[C@H](COC)NC(=O)c1cccc(-c2ccccc2C(N)=O)c1 426395145 HEMORMJPJYUJTC-OAHLLOKOSA-N 326.396 2.607 0 50 EFAA CC[C@H](Cn1ccnc1)NC(=O)Nc1cc2c(cc1C)OCCO2 426518671 DPPHQXOSOFERNF-CYBMUJFWSA-N 330.388 2.563 0 50 EFAA CCN(C(=O)c1ccc(-n2cncn2)c(C)c1)[C@@H]1CCOC(C)(C)C1 291711057 VHEQJJDHKLGUQB-MRXNPFEDSA-N 342.443 2.995 0 50 EFAA Cc1cc(NC(=O)NCCSc2nccn2C)n([C@@H](C)C2CC2)n1 95527810 XLNXJEGGCLMHOG-LBPRGKRZSA-N 348.476 2.810 0 50 EFAA O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(Oc2cccc(F)c2)CC1 426596421 BVDRMOJGRQCIDO-SHTZXODSSA-N 336.407 2.682 0 50 EFAA CCOC(=O)c1csc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1 293026580 VSUUKPFNWGUAJD-YPMHNXCESA-N 326.462 2.549 0 50 EFAA Cc1cnccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 179861079 LLAUOGSGEGOYDL-UHFFFAOYSA-N 344.440 2.878 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(c3ccc(C(=O)O)cn3)C2)c1 95502844 ILIBEQNSZHOFSU-CYBMUJFWSA-N 328.368 2.791 0 50 EFAA COc1ccc(C[C@@H]2COc3c(cccc3OC)C2)cc1C(N)=O 95511889 QZPSHDSWZZYXPU-ZDUSSCGKSA-N 327.380 2.597 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(Cl)cc1)CC2 92037965 YHJYFAYGBKEFJT-UHFFFAOYSA-N 349.862 2.884 0 50 EFAA CN(CCCNC(=O)[C@H](c1ccccc1F)N(C)C)C1CCCC1 95357152 FWOCOWOKBFJUBV-SFHVURJKSA-N 335.467 2.809 0 50 EFAA O=S(=O)(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)C1CC1 534590687 LDXJIQKVGJYPAO-MRXNPFEDSA-N 342.892 2.949 0 50 EFAA CC(C)n1nccc1NC(=O)N[C@H](C)c1nc(-c2cccnc2)no1 299780699 CITXSWOALFFGHL-LLVKDONJSA-N 341.375 2.792 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 299800520 TUQWDQXWNAHYLN-HNNXBMFYSA-N 344.440 2.861 0 50 EFAA CON(C[C@@H]1CCCc2ccccc21)C(=O)CCc1nnc(C)o1 1354280627 GSDFXGBVEJJUCZ-HNNXBMFYSA-N 329.400 2.821 0 50 EFAA CCn1c(=O)c(N[C@@H](CO)c2cc(F)ccc2F)nc2ccccc21 1458713135 INZANHBPUKGLIC-HNNXBMFYSA-N 345.349 2.840 0 50 EFAA OC[C@@H]1CCCCN1CCNCc1cccc(OC2CCCC2)c1 952981043 RLJCEHRXAFARTG-SFHVURJKSA-N 332.488 2.944 0 50 EFAA CS(=O)(=O)C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 270372242 NAAIUFAFMYJIDM-LLVKDONJSA-N 345.346 2.693 0 50 EFAA CN(C)c1ncc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 271232139 UVPRIRFSRAWLIZ-ZWKOTPCHSA-N 326.444 2.631 0 50 EFAA CC1(C)C[C@H](NC(=O)[C@@H](CN2CCCC2)c2ccccc2)CCO1 408518112 UWQGKQFKRYAHHO-MSOLQXFVSA-N 330.472 2.940 0 50 EFAA CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@@H]1CNC(=O)OC(C)(C)C 390832827 QHEIAKHFZKQIOV-UKRRQHHQSA-N 340.464 2.898 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)n1 275680996 WGFBZJVEMWXGRK-WVMJFEGXSA-N 342.418 2.732 0 50 EFAA Cc1cc(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c[nH]1 169998052 LLWSHWAZSNWTIU-UHFFFAOYSA-N 331.460 2.602 0 50 EFAA Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)[nH]c2c1C(=O)CC(C)(C)C2 170026740 YOSPPOJAMLPAAR-YPMHNXCESA-N 343.471 2.833 0 50 EFAA COc1cc(C)c(NC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1F 186795164 NZURQQWENUXGEG-UHFFFAOYSA-N 349.406 2.619 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 188035933 CLAHCFIKTUNFES-HNNXBMFYSA-N 346.406 2.917 0 50 EFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1 188174362 JCDCVUJEVGSDFH-HXUWFJFHSA-N 342.414 2.535 0 50 EFAA Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)co1 188903562 WRJGCZYKDJHITP-RTBURBONSA-N 347.503 2.997 0 50 EFAA O=C(NCC1(CO)CCC1)c1c[nH]nc1-c1cc2ccccc2o1 189080143 SSACRKGIGDAECX-UHFFFAOYSA-N 325.368 2.715 0 50 EFAA COc1ccc(C2(CN[C@H](C)c3nnnn3C)CCCCC2)cc1 189794400 CVSMMIGBYOKMDA-CQSZACIVSA-N 329.448 2.771 0 50 EFAA O=C(O)c1coc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 191665883 SMYDGMVOBCFAPX-GXTWGEPZSA-N 335.743 2.891 0 50 EFAA CN1CCC2(CC1)CCN(C(=O)Cc1ccccc1OC(F)F)C2 647724881 CPXBQPOYLNTWMY-UHFFFAOYSA-N 338.398 2.775 0 50 EFAA Cc1cc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)no1 193791729 NGUYBACIRFHNQZ-UHFFFAOYSA-N 346.774 2.800 0 50 EFAA COc1ccc(C[S@](=O)Cc2nnc(C3CC3)n2C)cc1Cl 194300642 WOYHFGJXMRTFPX-QFIPXVFZSA-N 339.848 2.803 0 50 EFAA O=C1CC[C@@H](N2CCN(C(=O)CCCC3CCCCC3)CC2)CCN1 654284683 LPLDMDVICHIUKQ-GOSISDBHSA-N 349.519 2.550 0 50 EFAA CSc1ccccc1C(=O)NCc1cnc(N2CCOCC2)s1 785525693 HQZLNGSWYUOPTP-UHFFFAOYSA-N 349.481 2.632 0 50 EFAA Cc1nn(CCO)cc1CN1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529141459 DBNPKHFBPRVPJD-UXHICEINSA-N 343.471 2.782 0 50 EFAA COc1cc2c(cc1OC)C1(CCN(C[C@H]3CCOC3)CC1)OCC2 1704297400 QAMWOCNUSGPZQX-OAHLLOKOSA-N 347.455 2.604 0 50 EFAA CCN(CC)[C@H]1CCCC[C@@H]1Nc1nccc(N2CCC(O)CC2)n1 210102600 CSSNXQZVRLGSHE-IRXDYDNUSA-N 347.507 2.503 0 50 EFAA CCOC[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 113828144 PZYSNTNFYVBHNA-NSHDSACASA-N 327.222 2.733 0 50 EFAA O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 5389128 XBEWRZWPPTUION-LJQANCHMSA-N 347.418 2.628 0 50 EFAA CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(C)on2)cn1 12187798 GDGJOQQUAAVHNK-HNNXBMFYSA-N 338.433 2.505 0 50 EFAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cc[nH]n2)C1 12305743 ZJJOJLLLZDXDRO-KRWDZBQOSA-N 342.487 2.805 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 18066238 XXZLTTYSOAJSKO-TXEJJXNPSA-N 347.864 2.845 0 50 EFAA COC(=O)c1cc(OC)ccc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875241742 ZTEJKWGEMSGAQV-CQSZACIVSA-N 325.364 2.752 0 50 EFAA Cc1ncsc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 110698358 TVPFAJRZHANJLX-KBPBESRZSA-N 337.395 2.905 0 50 EFAA Cc1cccc([C@H](C)CNC(=O)Cc2ccccc2S(C)(=O)=O)c1 225810706 NPTYOVHVYDPIJW-OAHLLOKOSA-N 345.464 2.861 0 50 EFAA O=C(O)c1cccc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 416461738 NGDPDKDEDRSMHA-ZDUSSCGKSA-N 325.368 2.635 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348238381 DVBKMKJGKUAIKA-BDJLRTHQSA-N 343.333 2.789 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)CO1 668289400 XGQPSRZLQFQTEL-KEMUVXCRSA-N 346.210 2.834 0 50 EFAA O=C(N[C@H]1CCN(c2ccccn2)C1)c1coc(-c2ccccc2)n1 152391515 MHHWBJRZXNGMAC-HNNXBMFYSA-N 334.379 2.745 0 50 EFAA CC[C@@H](C(=O)O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 911492025 ZBZFTADIUBOQET-LLVKDONJSA-N 343.221 2.560 0 50 EFAA NC(=O)CC1CC(NC(=O)Nc2ncc(C3CCCCC3)s2)C1 930774519 XZRVNZRCTNSNQK-UHFFFAOYSA-N 336.461 2.966 0 50 EFAA Cc1nc2n(n1)C[C@@H](NC(=O)c1ccnc3cc(Cl)ccc13)CC2 931656576 UXGSKBCLFCUOQB-LBPRGKRZSA-N 341.802 2.533 0 50 EFAA C[C@@H](NC(=O)CCc1cccc(OC(F)F)c1)c1nn(C)cc1O 952993493 YLRKTMSYSHVAKW-SNVBAGLBSA-N 339.342 2.537 0 50 EFAA CCN(Cc1ccccc1C(F)(F)F)C(=O)C[C@@H]1COCCO1 1875280440 JPWPVNGSJIRUQB-CYBMUJFWSA-N 331.334 2.859 0 50 EFAA O=S1(=O)CC2(CCC(NCc3ccc(OC(F)F)cc3)CC2)C1 1875285026 AFRVRJMTGPEWKE-UHFFFAOYSA-N 345.411 2.735 0 50 EFAA C[C@@H](CC(=O)N1CC(c2cc(CO)on2)C1)Cc1cccc(F)c1 886086538 WCRUZHMHNOHXPH-GFCCVEGCSA-N 332.375 2.501 0 50 EFAA COCc1nc(O)cc(N(C)Cc2cc(Br)cs2)n1 1774551590 VUJKFTJKNKFQJG-UHFFFAOYSA-N 344.234 2.789 0 50 EFAA CC(C)C[C@@H](CC(=O)O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 899814885 VJHFXPDPTWHTPG-OXJNMPFZSA-N 345.439 2.824 0 50 EFAA CC(C)(C)c1ccc(OCC(=O)NCCCN=c2cc[nH]cc2)cc1 2325743035 WYFBKISWTBJHHG-UHFFFAOYSA-N 341.455 2.798 0 50 EFAA C[C@@H]1OC2(C)CC1(c1nc([C@@]3(C)COc4ccccc4O3)no1)C2 2325777571 MBHBDKOGCKRBPL-VAFHDCDSSA-N 328.368 2.965 0 50 EFAA CCc1ccc([C@H](O)CN(C)C[C@@H]2CCc3nc(C)cn3C2)cc1 2325804094 UZNOKAGNCRQFSE-PKOBYXMFSA-N 327.472 2.982 0 50 EFAA CNCc1cn([C@H](C(=O)N2CCC[C@@H]2CC(C)C)C(C)(C)C)nn1 2325868622 DFKZGFTWBZXVJB-HZPDHXFCSA-N 335.496 2.622 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-c2ccccc2)nc1C 348455825 MSELNYAENPMZFS-DLBZAZTESA-N 340.423 2.933 0 50 EFAA Cc1nnc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)s1 194278 DFXLVRCSCPOEDW-UHFFFAOYSA-N 330.291 2.600 0 50 EFAA CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3 294950 DKFLOGOFKFTUQR-UHFFFAOYSA-N 338.454 2.622 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 418375 MPRITSLIJJNPNV-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA O=C1NC(=O)/C(=C\c2ccccc2I)S1 2891569 LPHYTWZUFKIWES-VMPITWQZSA-N 331.134 2.615 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@@H]3C)c2C)C[C@@H]1C 4839803 PZUFJJVCCIFCJD-ZNIXKSQXSA-N 347.411 2.833 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccccc2OCC(F)(F)F)CCCO1 171316474 DLIBLOZRIJGUON-GFCCVEGCSA-N 346.349 2.948 0 50 EFAA Cc1cccc(CN2CCN(CCc3ccccc3)C[C@H]2CCO)n1 104552557 OLQKGMNMRITFMZ-OAQYLSRUSA-N 339.483 2.501 0 50 EFAA CN[C@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 133752484 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O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1 20427524 BBEDAHVKZWCFAA-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA O=C(NCCc1ccsc1)[C@H]1CCCN1C(=O)Cc1ccccc1 141065167 DKUZBCPVTOOBTF-QGZVFWFLSA-N 342.464 2.641 0 50 EFAA C[C@@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328633328 SLYSYZUUCGXKDD-QEEHTWDDSA-N 345.487 2.881 0 50 EFAA CC(C)N1CC[C@H](N[C@H](C)CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 252486297 HZPMPFBXFMUPIN-PJQXDXOGSA-N 341.858 2.856 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nn1 35597933 PAYWHISHHXMSHW-UHFFFAOYSA-N 334.782 2.540 0 50 EFAA COc1ccc2cc([C@H]3CN(c4ccnc(N)n4)CCO3)ccc2c1 71615263 WAQYNWMITVUSPO-QGZVFWFLSA-N 336.395 2.799 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCC23CCCN2CCC3)c1 72475142 HKJGLIDLJRWRKB-UHFFFAOYSA-N 330.472 2.748 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)CCCc3sccc3C)CCO2)o1 328608480 AOMLGKXDYCKCMT-CYBMUJFWSA-N 335.429 2.671 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2sc3ccccc3c2C)n1 328614898 XEILJUWDDAJMTL-DGCLKSJQSA-N 343.408 2.849 0 50 EFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 253393040 PITFPKGWCOUIEA-GRDNDAEWSA-N 344.455 2.741 0 50 EFAA Cc1cc(CN(C)C(=O)c2coc(COc3ccccc3F)n2)on1 12303975 ZLEDPAPCLQPRPW-UHFFFAOYSA-N 345.330 2.961 0 50 EFAA O=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2cnccn2)CC1 77469761 GPEUDABANNCSSJ-UHFFFAOYSA-N 333.775 2.633 0 50 EFAA CCSc1nc2ncc3c(=O)n(-c4cccc(F)c4)ccc3n2n1 38783708 FKCUTYUVJBVWSS-UHFFFAOYSA-N 341.371 2.680 0 50 EFAA Cc1ccc(C[C@@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)s1 129486221 FEQKSKFQZRFDCH-LLVKDONJSA-N 331.441 2.586 0 50 EFAA CCc1nc(C)cn1Cc1nc(Cc2ccc(OC)c(OC)c2)no1 72142141 PVXIPZLCJYAYFM-UHFFFAOYSA-N 342.399 2.793 0 50 EFAA C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 438764827 GKEMZAAQUCTWEX-JOCHJYFZSA-N 346.433 2.773 0 50 EFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71753700 QSAONIIOXOEHAT-HNNXBMFYSA-N 328.387 2.999 0 50 EFAA COc1cc(Cl)c(CN2CCN(CCSC)CC2)cc1OC 215291808 DQTDOGDNZGHHRP-UHFFFAOYSA-N 344.908 2.838 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(Cc3nc(C)cs3)CC2)cn1 72453839 FRMKWRCXANVQRY-UHFFFAOYSA-N 347.440 2.653 0 50 EFAA CCc1ccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)nc1 72447655 ILJPCLVCZUEOOK-UHFFFAOYSA-N 349.394 2.831 0 50 EFAA COc1ncc(-c2nccn2[C@@H](Cn2cccn2)c2ccccc2)cn1 71749567 XFSGGVDVWIFVMH-KRWDZBQOSA-N 346.394 2.835 0 50 EFAA COc1cccc2c(C(=O)N3CC[C@H](O)c4ccccc4C3)n[nH]c12 377633033 UJGSFVFNUUTONL-HNNXBMFYSA-N 337.379 2.651 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)s1 263207529 NBOYMJDUVCBAIC-KDOFPFPSSA-N 327.405 2.967 0 50 EFAA COc1ncc(-c2nccn2-c2ccc(CN3CCCC3)cc2)cn1 71753323 VXNLZVKBSJRIAI-UHFFFAOYSA-N 335.411 2.934 0 50 EFAA COc1cccc([C@H]2CN(C(=O)[C@H]3CCc4cccnc43)CCO2)c1 333390576 CVHMNIKFYZZHRK-ZWKOTPCHSA-N 338.407 2.720 0 50 EFAA CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2c2ccco2)c1 128042162 DODHJOFPLZHAPE-INIZCTEOSA-N 341.411 2.728 0 50 EFAA O=C(c1ncccc1O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77470986 SYRJGCOFAFESJT-CYBMUJFWSA-N 336.351 2.815 0 50 EFAA O=C(NCCn1ccnc1)c1cc(-c2cccnc2)nc2ccccc12 43947635 XVKBDTCZPHGKFD-UHFFFAOYSA-N 343.390 2.923 0 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Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cn1 179168065 IQXAMNDFZJMOEN-CYBMUJFWSA-N 333.823 2.851 0 50 EFAA CCn1ccnc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 292735563 DSPIMBFLXIQFIP-UHFFFAOYSA-N 333.819 2.680 0 50 EFAA Cc1nn(C)c2nc(N3CCC[C@@H](OCc4ccccn4)C3)sc12 95511248 XBMHMHLHHJDULY-CQSZACIVSA-N 343.456 2.919 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95508875 DLQXVFWTYUSBOQ-KRWDZBQOSA-N 349.438 2.685 0 50 EFAA CCN(CC)CCN1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91943694 WXKDOWYEGSVYAT-HXUWFJFHSA-N 335.536 2.975 0 50 EFAA CSc1ccc2c(c1)CCN(C(=O)c1c(C)cc(C)[nH]c1=O)C2 91736874 ZFFMASTZELLUGX-UHFFFAOYSA-N 328.437 2.912 0 50 EFAA Cn1nc(/C=C/c2ccc(C(F)(F)F)cc2)nc1N1CCOCC1 96130983 PFKQFBLVSKNMLH-QPJJXVBHSA-N 338.333 2.841 0 50 EFAA Cc1nc(N(C)Cc2n[nH]c3c2CCCCC3)cc([C@H]2C[C@@H](O)C2)n1 244842340 UOUMKRSSTWUGMT-OKILXGFUSA-N 341.459 2.652 0 50 EFAA COc1ccc(CNC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1C(=O)O 299747855 FJIRRAKDLGLGLQ-OCCSQVGLSA-N 335.400 2.605 0 50 EFAA COc1cc(NC2CCN(C(=O)Nc3ccon3)CC2)cc(OC)c1 183617297 KVRRNZUDMZFAIG-UHFFFAOYSA-N 346.387 2.800 0 50 EFAA CCn1ncc(C)c1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 618440385 YSFWSWBYONJMEX-UHFFFAOYSA-N 326.400 2.741 0 50 EFAA CCN(C)C(C)(C)CNC(=O)N(C)Cc1cc(-c2cccnc2)no1 534639229 MVNYHWHVZRVQPI-UHFFFAOYSA-N 345.447 2.608 0 50 EFAA COCCn1cncc1CNC(=O)c1[nH]c2c(C)ccc(C)c2c1C 299760421 HCOWWOHHUDDUCH-UHFFFAOYSA-N 340.427 2.866 0 50 EFAA COc1cccc(C(=O)N[C@@H](C)c2ccsc2)c1OCCCN 299792849 FXACJLWHQRFOHQ-LBPRGKRZSA-N 334.441 2.975 0 50 EFAA CCCn1ncnc1[C@H](C)NC(=O)c1cc(-c2cccs2)n(C)n1 299796322 QCWIBVMFSJWPBH-NSHDSACASA-N 344.444 2.641 0 50 EFAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cc2ncccn2n1 828219326 ZYCREFDFXMQUFT-CYBMUJFWSA-N 338.367 2.539 0 50 EFAA O=C(c1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)c(F)c1)C1CC1 584889281 PHQZWZWBGHRNJU-UHFFFAOYSA-N 339.366 2.902 0 50 EFAA CC[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1ncc(C)[nH]1 584893845 ZXIISMLTEFUBBI-JTQLQIEISA-N 328.401 2.513 0 50 EFAA COc1cc2ncn([C@@H](C)c3cccc(C)n3)c(=O)c2cc1OC 584900624 STPHMQXMCICABN-LBPRGKRZSA-N 325.368 2.726 0 50 EFAA Cn1c(CNC(=O)[C@@]2(C)CC=CCC2)cc(=O)n1-c1ccccc1 1334440092 PDWPAJSNYPSEFA-IBGZPJMESA-N 325.412 2.539 0 50 EFAA C=CC(=O)N(CC)CC(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 1347596432 FJPVCKACOIXTDU-ZDUSSCGKSA-N 349.500 2.651 0 50 EFAA Cc1ccc(C)c(OCCCN(C)C(=O)CCCN2CCCC2=O)c1 952988505 OEWXBEDOMGCRNM-UHFFFAOYSA-N 346.471 2.933 0 50 EFAA C[C@H]1CN(Cc2cccc(N3CCOCC3)c2)CC[C@]1(O)C1CCC1 1565529984 CFJWLOWATJRXJO-LAUBAEHRSA-N 344.499 2.896 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cncnc2C(C)C)C1 268432340 YLLNJGNESMWVRB-CQSZACIVSA-N 340.427 2.617 0 50 EFAA OCc1csc(N2CCC(N3CCc4ccccc4C3)CC2)n1 95368714 GLYUSZPGYGRKPS-UHFFFAOYSA-N 329.469 2.663 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1 170021387 SDQJVUYSLURMGK-JJTUDDRGSA-N 336.476 2.525 0 50 EFAA CCN1CCC(n2nccc2NC(=O)C2Cc3ccccc3C2)CC1 277259597 NSKLOJDZVASOAH-UHFFFAOYSA-N 338.455 2.893 0 50 EFAA O=C(CC1(O)CCCCC1)N1CCCN(Cc2ccccc2)CC1 304318880 PBUYWUDIBCDSIZ-UHFFFAOYSA-N 330.472 2.806 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 408473781 WIXWHUWTCSWETA-ZDUSSCGKSA-N 329.404 2.705 0 50 EFAA CCOc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)cc1OC 170048721 MJFGVOGPEBYAPV-IBGZPJMESA-N 340.423 2.597 0 50 EFAA CN(C)c1nnc(SCc2cc3ccccc3n(C)c2=O)s1 408518319 AESMAABFFODMMY-UHFFFAOYSA-N 332.454 2.748 0 50 EFAA C[C@@]12CCCN1C(=O)N(CCc1coc(-c3ccc(F)cc3)n1)C2=O 272386338 JJQVDWASPJBQKJ-SFHVURJKSA-N 343.358 2.840 0 50 EFAA CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnsn1 185100189 OMUWEPPPXHTASB-UHFFFAOYSA-N 336.392 2.557 0 50 EFAA Cc1cc(NC(=O)CN[C@H]2CCC[C@@H]2Cc2ccccc2)n(C)n1 170607293 SZTPVVQREQEVGU-SJORKVTESA-N 326.444 2.668 0 50 EFAA O=C(Nc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)c1)C1CCCCC1 191574740 JFXPVALKEMTRJF-JKSUJKDBSA-N 344.411 2.542 0 50 EFAA CCc1nc2n(n1)C[C@@H](N[C@H]1CCSc3ccc(OC)cc31)CC2 191529832 JZFWAMPTFVYXGO-WFASDCNBSA-N 344.484 2.991 0 50 EFAA CCn1cc([C@@H]2CN(C(=O)c3coc4ccccc34)CCO2)cn1 191801093 BBIWOHKXSRLBPR-KRWDZBQOSA-N 325.368 2.863 0 50 EFAA CC(=O)NCCCNC(=O)Nc1cc(C)c(Br)c(C)c1 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Cc1noc([C@H]2CCCN(C(=O)NO[C@H](C)c3ccccc3)C2)n1 378120902 UBAYNAJVXPSXTD-DOMZBBRYSA-N 330.388 2.960 0 50 EFAA CC(=O)c1ccc(N2CCN(Cc3cnn(C(C)C)c3)CC2)cc1 216077745 SLQFVEPXMWITLL-UHFFFAOYSA-N 326.444 2.989 0 50 EFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC(c2ccccn2)C1 72150425 ICZYELYYNORATO-UHFFFAOYSA-N 331.379 2.855 0 50 EFAA CC(=O)N1CCc2c(nc(C)nc2N(C)C/C=C/c2ccccc2)C1 71730221 XWAAXOWJPYXIRT-JXMROGBWSA-N 336.439 2.839 0 50 EFAA COCC1(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)CCC1 283894205 JSEWKRYMPGBUQI-UHFFFAOYSA-N 333.837 2.504 0 50 EFAA CN1CCN(Cc2ccc(C(=O)N3C[C@@H]4CCC[C@H](C4)C3)cc2)CC1 221364792 CTQTVSGXNJBPNL-RTBURBONSA-N 341.499 2.696 0 50 EFAA CSc1nnc(CC2CCN(Cc3cccc(C)n3)CC2)n1C 82170492 FYNPOLMBSLGVJT-UHFFFAOYSA-N 331.489 2.695 0 50 EFAA CCc1ccc(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 286182673 IMPGXXQJAQUCQL-IPMKNSEASA-N 331.456 2.570 0 50 EFAA O=C(NCc1c(F)cc(F)c(F)c1F)N1CC[C@@H]([C@@H]2CCOC2)C1 240540852 GPSPCCMMTDTDCG-NXEZZACHSA-N 346.324 2.811 0 50 EFAA 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EFAA COc1cncc([C@@H](NC(=O)NC2CCCCC2)[C@H]2C[C@H](O)C2)c1 244866615 VZFCMMRUALNORL-NUTKFTJISA-N 333.432 2.534 0 50 EFAA CN(Cc1noc(-c2ccco2)n1)C[C@@H]1CC(=O)N(C2CCCC2)C1 244690884 IYNVGGUSVTYKPL-ZDUSSCGKSA-N 344.415 2.553 0 50 EFAA CCOc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244899382 ZIUBBHADXRWAOC-FTRWYGJKSA-N 340.423 2.651 0 50 EFAA O=C(Nc1ccc(C2CCC2)cn1)N1CCCN(C(=O)C2CC2)CC1 297131682 RHGGORIPPKKVNL-UHFFFAOYSA-N 342.443 2.825 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 252483493 FCMVCTCMENRRBU-OAHLLOKOSA-N 337.427 2.687 0 50 EFAA Cc1nc(C(=O)N2CCCCC2)nn1-c1ccc(OC(F)F)cc1 261490556 HMXBXRLYGACGIQ-UHFFFAOYSA-N 336.342 2.803 0 50 EFAA COCCN(Cc1cccc(OC)c1)C(=O)N[C@@H](C)c1ncc(C)[nH]1 534591473 WAZFCXVHJDEQPA-AWEZNQCLSA-N 346.431 2.646 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)o2)n1 299774602 ILLJOSFPTHVOBM-UHFFFAOYSA-N 330.432 2.815 0 50 EFAA O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(-c2ccco2)cc1 299784467 OOPXEVDIMZWTBV-KRWDZBQOSA-N 343.427 2.915 0 50 EFAA COc1cccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1C 299778932 PENMQUMLBNMMDA-CQSZACIVSA-N 330.428 2.525 0 50 EFAA O=C1N[C@@H](c2ncnn2-c2cccc3c2CCC3)Cc2ccccc21 828301284 ORSNQISGMCCKRO-QGZVFWFLSA-N 330.391 2.783 0 50 EFAA CC(C)N1CCO[C@H](CC(=O)N(C)Cc2cnc3ccccc3c2)C1 584900468 NFFNDNNLRIORKF-GOSISDBHSA-N 341.455 2.693 0 50 EFAA CC[C@@H](NC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)c1nc(C)no1 584897652 MVWDIUIZLGZMCN-GFCCVEGCSA-N 342.403 2.855 0 50 EFAA Cc1cnn(CCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 952982834 RFQMSQBSJZNTIJ-HNNXBMFYSA-N 329.400 2.778 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)o1 276305975 KZRCYEROBXEMBO-UONOGXRCSA-N 346.431 2.629 0 50 EFAA C[C@](O)(CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccco1 170047438 VLUMOAQYEUCKMP-YOEHRIQHSA-N 336.432 2.668 0 50 EFAA CCC(CC)[C@@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C 170675556 XOYRZVZDAKTTOD-JKSUJKDBSA-N 327.513 2.952 0 50 EFAA NC(=O)C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)C1CCCCC1 170650324 GYXQTTUJIAZBAD-CYBMUJFWSA-N 347.440 2.671 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)n1 893919352 HEMHKMGBOMOKCU-BETUJISGSA-N 346.456 2.540 0 50 EFAA Cc1ncsc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 190057679 PHBSRDTVUPVFJU-UHFFFAOYSA-N 339.424 2.832 0 50 EFAA COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(Cl)cc1 193588047 WDAJOOPZDXBRTR-AWEZNQCLSA-N 349.818 2.856 0 50 EFAA CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCCC23OCCO3)c1 766338827 RDRDZENKKJKQBB-MRXNPFEDSA-N 333.432 2.555 0 50 EFAA O=C([C@@H]1CCCO1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704325473 MOOYTOKHXBOGKQ-KRWDZBQOSA-N 340.423 2.737 0 50 EFAA O=C(c1cnc(C2CC2)nc1)N1CCCN(C[C@@H]2CC=CCC2)CC1 1775977769 JATPATCCMUMEMY-MRXNPFEDSA-N 340.471 2.858 0 50 EFAA Cc1ccccc1-c1nnn(CC(=O)NCCC2=CCCCC2)n1 5326827 RFMCDTDBJBOZMM-UHFFFAOYSA-N 325.416 2.655 0 50 EFAA CC[C@@H](C)CC(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 12328464 UIYFXMALLAFIIV-HIFRSBDPSA-N 325.412 3.000 0 50 EFAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 12380356 IJTPCVHZKCPDCU-OAHLLOKOSA-N 340.423 2.879 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)n2ncnc2N1 13125263 KJQNCQFLDAOLDZ-MRXNPFEDSA-N 332.367 2.601 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNC1CCCCCC1 14949356 IVMHBYFNTJPTRI-HXUWFJFHSA-N 348.462 2.992 0 50 EFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccco4)n3n2)cc1C 169778592 DZYKUKVYWQUCMU-UHFFFAOYSA-N 347.378 2.931 0 50 EFAA O=C(Cc1noc2ccccc12)NCCc1nc(-c2ccccc2)n[nH]1 163747856 DASWATOMPMUFSQ-UHFFFAOYSA-N 347.378 2.514 0 50 EFAA COc1cnc(C)cc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 1857673174 OELJMKSKSZDZFB-KRWDZBQOSA-N 336.395 2.766 0 50 EFAA Oc1n[nH]c(Cn2ccnc2-c2ccccc2OC2CCCC2)n1 1857677234 ZROONVGHOGEWKY-UHFFFAOYSA-N 325.372 2.744 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3ncnc(CC)c3F)C[C@H]12 1857733944 GSOFUNAFSRLNPO-ABHRYQDASA-N 333.407 2.616 0 50 EFAA Clc1ccc(OCCN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1875248010 UDMOWZKSJYXDRD-SJLPKXTDSA-N 336.863 2.514 0 50 EFAA Cc1noc([C@@H]2COCCN2C(=O)c2scc(C)c2Cl)n1 328586791 RBSSRWUGDAPABM-VIFPVBQESA-N 327.793 2.615 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2cc(C)on2)[C@@H]1c1cnn(C)c1 328650992 VSCNVQOVKRQCEW-MAUKXSAKSA-N 331.464 2.622 0 50 EFAA CC(=O)N[C@@H]1CCCN(Cc2c(C(=O)O)sc3ccccc23)C1 652389942 PSQJZUNMEAMTRN-GFCCVEGCSA-N 332.425 2.700 0 50 EFAA COc1ccc2nc(C3CC3)cc(C(=O)NCC3(C)COC3)c2c1 132554582 CWCIWEAGKCXCQA-UHFFFAOYSA-N 326.396 2.887 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 136114893 FIBFODWAIXLBOM-GFCCVEGCSA-N 340.217 2.705 0 50 EFAA COCCn1cc(CNC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cn1 252479194 BAQMBBIOAAVAIA-KSSFIOAISA-N 342.443 2.571 0 50 EFAA Cc1ccc(-c2ncccc2NC(=O)N2CCC[C@H](C(N)=O)C2)s1 252494046 NJMCLHYOJJALCU-LBPRGKRZSA-N 344.440 2.848 0 50 EFAA O=C(CCCc1nccs1)Nc1cncc(Br)c1O 252482691 DMCOUKNRYOBCQD-UHFFFAOYSA-N 342.218 2.968 0 50 EFAA Cn1cnc2c(N(Cc3cccc(F)c3)C[C@H]3CCCO3)ncnc21 677235814 MVTKCMSTVCOGMU-OAHLLOKOSA-N 341.390 2.688 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CC[C@H](OC(=O)N(C)C)C1 496778519 QJQICPVHYJMHEX-ZDUSSCGKSA-N 330.384 2.583 0 50 EFAA C[C@@H]1C[C@H]1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 162141166 CJVUMASYPITDPZ-IUODEOHRSA-N 342.468 2.847 0 50 EFAA C=CC(=O)N(CC)CC(=O)N1CCC(Oc2cc(C)ccc2C)CC1 900350866 QTNFUHPICGFSKH-UHFFFAOYSA-N 344.455 2.708 0 50 EFAA CCc1cnc(NS(=O)(=O)c2cc(F)c(OC)c(F)c2)s1 903605247 DKSQBUXQQFKRBK-UHFFFAOYSA-N 334.369 2.793 0 50 EFAA Cn1cc(CC(=O)N(Cc2cccnc2)Cc2ccco2)c(Cl)n1 815875438 WSHBPHSOLQADGF-UHFFFAOYSA-N 344.802 2.833 0 50 EFAA O=C(NC[C@@H]1CCCN1CC(F)(F)F)Nc1ccc2c(n1)CCC2 931676339 VYFZLFDWULXBGS-LBPRGKRZSA-N 342.365 2.719 0 50 EFAA O=C(NCCc1ccc(F)cc1)N1CCc2nc[nH]c2C12CCC2 1875282477 GNDZZKZEMFTWOX-UHFFFAOYSA-N 328.391 2.738 0 50 EFAA Cc1cc(SCC(=O)N2CCN3CC[C@H]2C3)nc2ccccc12 1875268760 ZLCOVJNREYGOBB-AWEZNQCLSA-N 327.453 2.552 0 50 EFAA Cc1cccc([C@@H](CNC(=O)N2CCCC23CC3)N2CCOCC2)c1 1875288860 HKRYSWLRJBUWGD-GOSISDBHSA-N 343.471 2.706 0 50 EFAA Oc1cc(N2CC[C@@](O)(c3ccccc3F)C2)c2cccnc2n1 1875325171 SFRWWBZXFLJQIR-SFHVURJKSA-N 325.343 2.572 0 50 EFAA CCS[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)[C@]1(C)CCCS1 1875354150 BLCCOSUPDAUSBQ-WWGRRREGSA-N 344.546 2.521 0 50 EFAA CC(C)c1ccccc1[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccn1 1875310910 GWUBLFZILKVAFG-CXAGYDPISA-N 340.427 2.792 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)N1C[C@@H](O)[C@H](Cc2ccccc2)C1 890512121 SCEKGCRWNOBHMV-IAGOWNOFSA-N 342.439 2.631 0 50 EFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 111390 NPPVMCVYEYWVKJ-AWEZNQCLSA-N 337.206 2.820 0 50 EFAA CCOc1ccc(Br)cc1S(=O)(=O)n1ccc(C)n1 4839152 XBDNVZHOEPWNOO-UHFFFAOYSA-N 345.218 2.590 0 50 EFAA Cc1ccccc1[C@@H](CN(C)C)NC(=O)c1n[nH]c2c1CCSC2 2325798994 MUXOYPYACMJQDD-OAHLLOKOSA-N 344.484 2.540 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1 2325811682 RXJBXSHEPHMMNB-NNXHMXCWSA-N 333.476 2.601 0 50 EFAA C[C@H]1CCCN1c1ncnc2c1ncn2CCc1ccc(CO)cc1 2325815164 CPUMIGYRZXIYSG-AWEZNQCLSA-N 337.427 2.550 0 50 EFAA O=C(COc1ccc2ccccc2c1)NN1C(=O)c2ccccc2C1=O 357394 XPCAUNREDMOYRQ-UHFFFAOYSA-N 346.342 2.546 0 50 EFAA COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1 528191 CIRAGKJBEYVUEC-QGZVFWFLSA-N 332.363 2.877 0 50 EFAA COc1cccc(OC)c1C(=O)NC(=S)NCc1ccccc1 559840 DXTZJEWNMPTQKZ-UHFFFAOYSA-N 330.409 2.508 0 50 EFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCC[C@@]12CCCNC2=O 2356165459 AGQSTYZKEXFNHD-GOSISDBHSA-N 343.814 2.773 0 50 EFAA O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1)[C@@H]1CCCO1 2772721 NQTBZIPRGRLTCL-KBPBESRZSA-N 338.791 2.575 0 50 EFAA CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 2996070 URIJOEJOEMQMOJ-UHFFFAOYSA-N 333.409 2.753 0 50 EFAA Cc1cccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 10112401 OCDJHWVHMIWVBB-UHFFFAOYSA-N 332.425 2.605 0 50 EFAA CCOCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 10325467 XTWSALUWGUBDCD-JKSUJKDBSA-N 335.400 2.931 0 50 EFAA CCc1nc(CN(C)[C@@H](C(=O)O)c2ccc(OC(C)C)cc2)no1 55131172 FNUJERJURIOKRZ-MRXNPFEDSA-N 333.388 2.677 0 50 EFAA Cc1nc(CN2CCN(C(=O)c3coc4ccccc34)CC2)oc1C 113170573 IWUJGHHQLLRIOY-UHFFFAOYSA-N 339.395 2.996 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(Oc2cnccn2)cc1 343819402 GYSFTFVYFZVHFQ-DOTOQJQBSA-N 329.400 2.505 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@](O)(c2ccccc2)C1 65527587 AGSXCNDNGKKTII-HXUWFJFHSA-N 333.391 2.606 0 50 EFAA C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H]2CCCN2c2ccccc21 248061935 DFMGOYGYXOPHHK-HUUCEWRRSA-N 335.473 2.595 0 50 EFAA C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)c1cn2ccsc2n1 67819910 JKIMOHHVEQSXTN-SECBINFHSA-N 329.381 2.999 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 248736903 QCYMWRPFTMNYGI-FSZRXZPDSA-N 332.444 2.806 0 50 EFAA OCCOc1ccccc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65374044 DKPONYUWHJXOSH-RBUKOAKNSA-N 345.414 2.547 0 50 EFAA c1ccc2c(c1)CC(N1CCC[C@H](NCc3ccc4nonc4c3)C1)C2 20777798 DXIFJDGLWVZRBJ-SFHVURJKSA-N 348.450 2.944 0 50 EFAA O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccn[nH]1 139698123 PHNGTAJEFGONDT-UHFFFAOYSA-N 335.289 2.544 0 50 EFAA O=C(N[C@@H](CO)c1ccccc1)c1c[nH]nc1-c1ccccc1F 351655762 AMZOJXHPXLZUNV-INIZCTEOSA-N 325.343 2.679 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c(C)s1 119216231 MILZFULAHNVYLH-AWEZNQCLSA-N 347.488 2.881 0 50 EFAA CCN(Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 65398237 FUTRPPUZJIVHBU-QGZVFWFLSA-N 330.453 2.758 0 50 EFAA CN(Cc1ccc(Cl)c(F)c1)c1ccnc(N2CCOCC2)n1 353295239 VCWKKOANUILSAJ-UHFFFAOYSA-N 336.798 2.742 0 50 EFAA Cc1ccc2[nH]c(C(=O)O)c(CN3CC[C@@H]4CC[C@H](C3)N4C)c2c1 67695127 CPRLXENOJQCXNB-UONOGXRCSA-N 327.428 2.843 0 50 EFAA CCn1ncc(CN2CC[C@H](CNC(=O)c3ccsc3)C2)c1C 67641732 PUPLJVYJTWXTOS-CQSZACIVSA-N 332.473 2.525 0 50 EFAA CCOCCOc1ccccc1C(=O)Nc1cnc2n1CCCC2 67982261 OUDVNAMJFCPMPV-UHFFFAOYSA-N 329.400 2.887 0 50 EFAA COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1cnc2ccccc21 1430437 URFFBDGQAMNLDG-OAHLLOKOSA-N 340.379 2.687 0 50 EFAA Cc1ocnc1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328633398 SPTAGBAYEDRZKS-SNVBAGLBSA-N 342.321 2.533 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc4[nH]ccc34)CCO2)o1 328613847 UKDHYXKMCHQFFU-HNNXBMFYSA-N 340.383 2.888 0 50 EFAA Cc1nc2c(c(N[C@H](Cn3ccnc3)c3ccccc3)n1)CCNCC2 72448566 LOGCCIXAGNYZHQ-LJQANCHMSA-N 348.454 2.523 0 50 EFAA O[C@]1(CN2CCCC2)CCCN(Cc2ccc(F)cc2Cl)C1 77387546 AXOJUGOQBNSARO-KRWDZBQOSA-N 326.843 2.902 0 50 EFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2cc(C)ccc2C)CC1 332239283 IGBCJOFHBBUQFN-GOSISDBHSA-N 332.444 2.591 0 50 EFAA CSCCCNC(=O)c1coc(Cn2cnc3ccccc32)n1 15064499 BIQHBBDRQQDLBA-UHFFFAOYSA-N 330.413 2.556 0 50 EFAA COc1coc(CN2CCCN(CC3CC3)[C@@H](C(C)C)C2)cc1=O 71771366 FAUALELWUIKSAO-QGZVFWFLSA-N 334.460 2.591 0 50 EFAA CC(C)[C@]1(CO)CCCN(S(=O)(=O)c2cccc3ccoc23)C1 333023980 AEXGHTDUUAFDLA-QGZVFWFLSA-N 337.441 2.852 0 50 EFAA CCOc1ncccc1C(=O)N1CCC(CCn2cccn2)CC1 219022465 KWSXSVAVQRESME-UHFFFAOYSA-N 328.416 2.619 0 50 EFAA Cc1nccc(C2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)n1 215369335 FVKCTXKKYLIFLE-UHFFFAOYSA-N 348.406 2.646 0 50 EFAA C[C@H]1CN(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C[C@@H](C)O1 72476630 NPIYABCDVWCWAC-GASCZTMLSA-N 341.455 2.882 0 50 EFAA CCc1nccc(-c2nccn2CCc2nc(-c3ccccn3)no2)n1 71751245 QGNBLIWKAMSIHE-UHFFFAOYSA-N 347.382 2.590 0 50 EFAA COc1cccc(CNC(=O)N2CCC(c3c[nH]nc3C)CC2)c1 375083066 ZQMHFGDYGZLKRB-UHFFFAOYSA-N 328.416 2.816 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 263055217 FWASGBLUYRLQNX-HNNXBMFYSA-N 341.411 2.648 0 50 EFAA Cc1ccc(N2CCC(Oc3ccccc3C)(C(=O)O)CC2)nn1 72480059 QUDPFPPFDGEFGX-UHFFFAOYSA-N 327.384 2.596 0 50 EFAA Cc1cc(NCc2nc(Cc3cccs3)no2)n2nccc2n1 72431944 HXBUQKPJZRLSPK-UHFFFAOYSA-N 326.385 2.685 0 50 EFAA CCOc1ccccc1OCC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 174244868 SOJPLPPJHVLDSX-MQVJKMGUSA-N 332.444 2.596 0 50 EFAA CCOC(=O)c1sc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1C 175809312 UHAVZFPMEBRTLX-ZDUSSCGKSA-N 349.456 2.711 0 50 EFAA Cc1cc2c(cc1C(=O)NC[C@@H]1OCCc3ccccc31)OCCO2 221229096 JGRGINVLFPGBLS-IBGZPJMESA-N 339.391 2.810 0 50 EFAA Cc1nc2ccc(NC(=O)NCC3(C)Cc4ccccc4C3)cn2n1 289310185 AMNDWLKGCXHHNB-UHFFFAOYSA-N 335.411 2.964 0 50 EFAA CCOCCCNC(=O)c1ccc(-c2ncc(C)c(N(C)C)n2)cc1 426538381 LIZQELFHJUFPEE-UHFFFAOYSA-N 342.443 2.674 0 50 EFAA CCN1CCC[C@H]1CNC(=O)N(CCOC)Cc1ccccc1C 426548478 IHKDMTBUWAQVNH-SFHVURJKSA-N 333.476 2.637 0 50 EFAA CNC(=O)[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(C)C 178727502 XKAKXYGXWNRFJY-SFHVURJKSA-N 340.423 2.766 0 50 EFAA Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91625082 ICAXLAUOZIAEFM-UHFFFAOYSA-N 342.439 2.708 0 50 EFAA Fc1ccccc1-n1nc(Cn2cncn2)nc1CCC(F)(F)F 95500500 UKAWFWGNCDUUCQ-UHFFFAOYSA-N 340.284 2.541 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)Oc1ccccc1)CC2 91518895 ULPLANORJONIFS-MRXNPFEDSA-N 344.455 2.705 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C(=O)CCCc2cccs2)C1 91320239 JMRJMJGQFMLLSY-QGZVFWFLSA-N 339.457 2.801 0 50 EFAA CN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCOc2ccccc2C1 95531807 WKDIWNMKSXQRCQ-MRXNPFEDSA-N 335.407 2.934 0 50 EFAA O=C(c1ccncc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91624562 DYOSVTHJGWQJCI-QGZVFWFLSA-N 347.422 2.741 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)C(C)(C)N)C1 91505501 VBPAHMXUKSRZMP-OAHLLOKOSA-N 326.444 2.739 0 50 EFAA Cc1cc(CN2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)ccc1F 91931979 MEHTYZMNSUTTBV-MRXNPFEDSA-N 348.462 2.720 0 50 EFAA Cc1nc(N2CCC[C@@H](C(=O)c3cccs3)C2)c2cnn(C)c2n1 95353217 PNMCJGKLKJACGI-GFCCVEGCSA-N 341.440 2.833 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2cnc(C3CC3)nc2)N2CCCC2)o1 294516611 KMRJVGJTWCKIBM-MRXNPFEDSA-N 340.427 2.822 0 50 EFAA O=C(CCCc1ccc(Cl)cc1)N1CC[C@]2(CCCNC2=O)C1 92019891 ZUJGBVNOXQLRIG-GOSISDBHSA-N 334.847 2.791 0 50 EFAA O=S(=O)(NC[C@@H]1Cc2ccccc21)c1ccc(C(F)(F)F)nc1 181931504 YQYMDCYDVALIDI-NSHDSACASA-N 342.342 2.719 0 50 EFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccc(O)nc1 253535354 MNGIKRZDCSLOCT-GMBSWORKSA-N 349.390 2.577 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2nc[nH]c2C1 534660328 BUNXUSCBCQXTNE-HNNXBMFYSA-N 326.400 2.564 0 50 EFAA Cc1cc(C)c2c(NC(=O)c3cc(=O)c4ccccc4o3)n[nH]c2n1 1940197410 OJXMNQBEINOQQO-UHFFFAOYSA-N 334.335 2.933 0 50 EFAA CCc1cc(CNC(=O)c2ccc(OCCCN)c(Cl)c2)on1 299766781 FLLUWQJQWSOPOL-UHFFFAOYSA-N 337.807 2.548 0 50 EFAA C[C@H](c1nnc(N)s1)n1cnc2sc3c(c2c1=O)CCCCC3 584887287 FUVJASNFYRORCI-MRVPVSSYSA-N 347.469 2.770 0 50 EFAA CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 1423767236 GOIFZWGHAHYBEX-ZFWWWQNUSA-N 329.487 2.510 0 50 EFAA O=C(/C=C/c1cncc(O)c1)N1CCC([C@H](O)c2ccccc2)CC1 305857398 LASPIGACTLLQRW-ROUKRRSUSA-N 338.407 2.773 0 50 EFAA Cc1cc(CN[C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)on1 170084942 LAJAOLFICCEKMI-KBPBESRZSA-N 339.395 2.680 0 50 EFAA CC(C)[C@@H](O)CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 170058586 CEMJLGJKJHRHEI-GJZGRUSLSA-N 328.416 2.542 0 50 EFAA O=C(O)c1cccc(CCNC(=O)[C@@H]2CCOc3ccccc32)c1 271951744 JLIPTADWONOBRN-MRXNPFEDSA-N 325.364 2.610 0 50 EFAA CN(Cc1ccc(F)cc1Br)C(=O)C1CCOCC1 170611592 WWJULEZWRUMQQZ-UHFFFAOYSA-N 330.197 2.973 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)o1 185885851 NRYFBZXHZBFWCL-AWEZNQCLSA-N 342.443 2.695 0 50 EFAA Cc1cc([C@H](C)NC(=O)[C@@H]2COCCN2CC(F)F)c(C)s1 187231273 LLNNCULNYNUUBY-GWCFXTLKSA-N 332.416 2.508 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 187340609 KROWMHIHRHGJCZ-QGZVFWFLSA-N 348.406 2.800 0 50 EFAA Cc1cnccc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190509207 WFGDEZILBLCQGX-KRWDZBQOSA-N 339.443 2.771 0 50 EFAA O=C1CCc2cc(C(=O)COc3nnc(-c4ccccc4)o3)ccc2N1 193064690 HDUJBUYGNYBCRB-UHFFFAOYSA-N 349.346 2.883 0 50 EFAA Cn1cc(N2CCC[C@H](NCc3cnc(-c4ccco4)s3)C2)cn1 193126496 KMBZAJRKBQOREP-ZDUSSCGKSA-N 343.456 2.895 0 50 EFAA CCn1ncnc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 193445011 UGCYYWJPFJWVSF-ZIAGYGMSSA-N 340.349 2.625 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H]1CCCOC1 194429217 QFMABTJJHZVOPX-CQSZACIVSA-N 331.391 2.785 0 50 EFAA O=C(N[C@H]1COc2ccccc21)c1cccc(CN2CCCC2=O)c1 194873753 JGLCRQSLXBTWCC-KRWDZBQOSA-N 336.391 2.673 0 50 EFAA Fc1cccc([C@@H]2CCNC[C@@H]2NCc2ccc3c(c2)OCCO3)c1 656790408 QHFQEVJZECJSFI-ROUUACIJSA-N 342.414 2.832 0 50 EFAA O[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1Cc1cnccn1 1615735327 QCHWNYLJGYIGHV-BBRMVZONSA-N 337.345 2.531 0 50 EFAA COc1cccc(F)c1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529196690 DQTCECZAUWLYAN-RTBURBONSA-N 331.387 2.769 0 50 EFAA Cc1ncc(-c2nccn2-c2ccc3c(c2)nc([C@@H](C)O)n3C)n1C 1775981966 KWMVAIZOVGPYQR-LLVKDONJSA-N 336.399 2.521 0 50 EFAA COc1cccc(CC[C@@H]2CCCN(C(=O)CCn3cncn3)C2)c1 11813360 HUGHKQISDQYGDP-KRWDZBQOSA-N 342.443 2.548 0 50 EFAA Cc1ccnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 12536762 QXDFHTFXJKBKAB-UHFFFAOYSA-N 329.425 2.942 0 50 EFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1 13646210 IMDXZELLAHADLO-OAHLLOKOSA-N 328.453 2.759 0 50 EFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1CC1)C2 14746048 DFBWVSZIKLDTAE-MRXNPFEDSA-N 344.503 2.632 0 50 EFAA Cc1ccc(C)c(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1 19741616 YSXHAWYPMCRVPM-MOPGFXCFSA-N 331.504 2.769 0 50 EFAA O=C(NC1CCCCC1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857721456 PVOKAQLZUAERFM-RTBURBONSA-N 343.471 2.786 0 50 EFAA O=C([C@@H]1CCn2nccc2C1)N1CCC2(CCc3ccccc32)CC1 1857724191 PIVMSXAUEHFSDT-QGZVFWFLSA-N 335.451 2.952 0 50 EFAA Cc1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)c2nc(C)oc2n1 1857740503 QFXIFGDNVTVPTI-KFWWJZLASA-N 327.432 2.545 0 50 EFAA COc1c(C(=O)O)cc(-c2ccc(O)c(C(C)=O)c2)c(OC)c1OC 1875250274 KZEXFYNMYXFBDC-UHFFFAOYSA-N 346.335 2.986 0 50 EFAA C[C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC[C@H]1C 408023547 SADXVDLZMJCWBI-ORIJERBGSA-N 335.469 2.889 0 50 EFAA COc1ccccc1C[C@@H](C)CC(=O)N1CC(=O)Nc2cnccc21 408513046 WPUGQYMCAFHXDM-CYBMUJFWSA-N 339.395 2.644 0 50 EFAA O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c(=O)c2ccccc12 225543711 FBKSMOCNLVGXDM-GUYCJALGSA-N 328.412 2.589 0 50 EFAA Cc1cccc(N2CCC(NC(=O)[C@@H](N)CC3CCCCC3)CC2)n1 423431381 QMGSLAAKMWBOSF-SFHVURJKSA-N 344.503 2.773 0 50 EFAA NC(=O)C[C@@]1(O)CCCN(CC(c2ccccc2)c2ccccc2)C1 643747794 OVHJHGXUZVKICY-NRFANRHFSA-N 338.451 2.521 0 50 EFAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)C2CCNCC2)C1 237471853 MNUBERXGXDMIGY-MRXNPFEDSA-N 329.488 2.534 0 50 EFAA Cc1c(C(=O)N2CC[C@H](N)C[C@@H]2C)cnn1-c1ccccc1Cl 237529270 XGKNGJWMQRPORL-AAEUAGOBSA-N 332.835 2.786 0 50 EFAA COc1ccc(OC)c(COC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c1 12420192 FACHZQKKZVGCFY-BFYDXBDKSA-N 337.460 2.559 0 50 EFAA COc1ccc(CNC(=O)CNc2c(OC)ccc3c2CCC3)cc1 242389284 ZVVWZKSMJGVYOI-UHFFFAOYSA-N 340.423 2.921 0 50 EFAA O=C(c1cc(Cl)ccc1F)N1CCC(c2nnc(O)o2)CC1 339186836 XMHLEGBAYZOZJQ-UHFFFAOYSA-N 325.727 2.588 0 50 EFAA CC(C)c1nnc(Sc2cc(C(F)(F)F)nc3ncnn23)n1C 265164288 WUCXWKRYMYYKRC-UHFFFAOYSA-N 343.338 2.546 0 50 EFAA COC(=O)c1ccccc1N(C)C(=O)c1ccnn1-c1ccccc1 390833854 OAAZVVZBGYFQDK-UHFFFAOYSA-N 335.363 2.936 0 50 EFAA O=C(c1ccc(OC(F)F)cc1F)N(C1CCNCC1)C1CC1 911679290 YFGFRFIPIPXPMC-UHFFFAOYSA-N 328.334 2.784 0 50 EFAA Cc1csc2ncnc(N3CCO[C@H](c4noc(C5CC5)n4)C3)c12 840252921 ICQGJEHEVJRISC-NSHDSACASA-N 343.412 2.838 0 50 EFAA Cc1nc2n(n1)C[C@H](C(=O)N1CCc3ccc(Cl)c(C)c3C1)CC2 828688168 CCPAKXWNXMBTAJ-CQSZACIVSA-N 344.846 2.696 0 50 EFAA Cc1csc(=O)n1CCN1CCC[C@H](c2c[nH]c3ncccc23)C1 931365638 MHESXFRMAQBLHH-AWEZNQCLSA-N 342.468 2.974 0 50 EFAA Cc1nc(NC[C@H](O)C2CCOCC2)sc1C(=O)OC(C)(C)C 863949191 RSLXLOSNTZMORA-LBPRGKRZSA-N 342.461 2.606 0 50 EFAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(Cc2cccc3[nH]ccc23)CC1 952890519 VROJTMXLNGZRIN-IEBWSBKVSA-N 341.455 2.660 0 50 EFAA O=C(NC[C@@H]1CN(c2ccccn2)CCCO1)c1cccc(Cl)c1 952852738 PKCSCRKYEHOCNT-MRXNPFEDSA-N 345.830 2.760 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4ccc(F)cc4C3)n[nH]c21 1875293112 CKTSTTPRAOICLA-MNOVXSKESA-N 329.375 2.770 0 50 EFAA Cn1cc(CN2CC[C@@]2(C)C(=O)OC(C)(C)C)c(-c2ccncc2)n1 1875289152 VEDUHZMAYUVILD-IBGZPJMESA-N 342.443 2.788 0 50 EFAA Cn1cnc(-c2ccc(NCc3ccnn3C3CCOCC3)cc2)n1 1875268524 HRUGPYUJBXYPTR-UHFFFAOYSA-N 338.415 2.642 0 50 EFAA CCCOc1ccc2[nH]cc(CCNC(=O)/C=C/CN(C)C)c2c1 1875376796 IWNLDLXSVOJSFO-AATRIKPKSA-N 329.444 2.733 0 50 EFAA CC(C)c1noc(=O)n1Cc1cc(=O)oc2cc3c(cc12)CCC3 1875391731 ZXIOMSYSJYZLCZ-UHFFFAOYSA-N 326.352 2.603 0 50 EFAA COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CCC3)nn1 885745006 LUJASHQLCHBZJG-UHFFFAOYSA-N 349.394 2.720 0 50 EFAA Cc1noc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3cncc(F)c3)C2)n1 894110435 GWWLDYGDZOLNJO-AAEUAGOBSA-N 347.394 2.637 0 50 EFAA COc1cc(F)cc(NC(=O)N2CCN(c3ccncc3)[C@H](C)C2)c1 1774531375 SVIFAYVDBXIJPK-CYBMUJFWSA-N 344.390 2.972 0 50 EFAA Cc1csc2ncnc(N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)c12 896682376 GOOMWJVFXYJLFU-LLVKDONJSA-N 337.470 2.912 0 50 EFAA Cc1ccc(O)cc1C(=O)N1CCN(c2cccc3nc[nH]c23)CC1 1775987457 ZZHHCLQBZFIRSL-UHFFFAOYSA-N 336.395 2.539 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(c2ncccc2F)C1 1775959020 BZKBDIHOUSSOAF-CJNGLKHVSA-N 339.374 2.972 0 50 EFAA CN(Cc1cc(C(N)=O)oc1C(C)(C)C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100545305 NTUXEISDGHHYAQ-CUFDPUGPSA-N 334.460 2.657 0 50 EFAA CN(c1nnc([C@@H]2C[C@H]3CC[C@H]2O3)n1C)C1CCN(C(C)(C)C)CC1 2325768104 IXXNBVOSDWVODX-BZUAXINKSA-N 347.507 2.549 0 50 EFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@@H]2CCOC2)s1 2325781357 IIFSSEDPOXPNAH-AAEUAGOBSA-N 346.456 2.514 0 50 EFAA Cc1nn2c(c1C(=O)NCc1nc3cc(F)ccc3o1)CCCC2 2325798632 KBRVSLCMWLCXEQ-UHFFFAOYSA-N 328.347 2.738 0 50 EFAA CC(C)CN=c1ccnc(N2CCN(c3ccccc3Cl)CC2)[nH]1 2325824960 XGNNOVVYDRJOPF-UHFFFAOYSA-N 345.878 2.946 0 50 EFAA COc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 390753 XPJGQTLYUQKQFA-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 453355 NEJXBAANLOXDNA-ZWKOTPCHSA-N 331.368 2.534 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)NCc2ccccc2)C1=O 2356156983 ZBUPERRCQDLWQI-LJQANCHMSA-N 329.444 2.763 0 50 EFAA O=C(c1cccc2ncsc12)N1CCOc2ccc(CO)cc2C1 2356160521 WFOZSDZTXHPCGJ-UHFFFAOYSA-N 340.404 2.823 0 50 EFAA COc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 3004811 NQXQIDUDCRWCIB-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA OCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 4809686 QGNOLFMCZYEVSI-CYBMUJFWSA-N 332.787 2.622 0 50 EFAA COc1ccccc1CNCCSc1nnnn1-c1ccccc1 4841651 ZCXHIVUMEDPWRX-UHFFFAOYSA-N 341.440 2.553 0 50 EFAA Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1 6430075 XXQJLOOHJOYYRJ-UHFFFAOYSA-N 332.425 2.522 0 50 EFAA NC[C@@H]1OCC[C@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1 414638619 OIJVKGPQYSNAJV-KOLCDFICSA-N 331.269 2.726 0 50 EFAA Cc1cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)cc(=O)[nH]1 55413701 CNCHYJKUCUKOIQ-UHFFFAOYSA-N 341.411 2.772 0 50 EFAA COCCN(Cc1nccs1)[C@@H](C(=O)O)c1ccc(F)c(C)c1 55052735 WWBPVJIRUOTKJG-OAHLLOKOSA-N 338.404 2.865 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3C[C@@H](C)NC[C@@H]3C)c(C)o2)c1 67820590 AYFCVALGCAVTAA-OLZOCXBDSA-N 345.443 2.849 0 50 EFAA Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)nc2O)C(C)C)cc1 348113371 RSULNTUDTIJTCX-INIZCTEOSA-N 341.411 2.797 0 50 EFAA Clc1cccc(-n2ccnc2SCc2nnc3n2CCOC3)c1 280541594 HYYNWMDXXHWLPT-UHFFFAOYSA-N 347.831 2.940 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)N(C)Cc2c(C)noc2C)n1 67804200 GBYVDJMYPLOURJ-ZDUSSCGKSA-N 334.445 2.837 0 50 EFAA CC(=O)NCC[C@@H]1CN(Cc2cccc3c(C)cccc23)CCO1 67774660 ZUPOKARHSPTPMZ-GOSISDBHSA-N 326.440 2.875 0 50 EFAA COC(=O)c1cc2n(n1)CCCN(Cc1c[nH]c3c(C)cccc13)C2 67447329 KBCKXJNMKMNSBA-UHFFFAOYSA-N 338.411 2.865 0 50 EFAA CCOC(=O)[C@@]1(C)C=C(O)C(=O)N1c1ccc(Br)cc1 22185108 WZDWMYLQKLWIFU-CQSZACIVSA-N 340.173 2.559 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCN(c2ccccc2Cl)CC1 425312019 POPABMHXDIKZFQ-UHFFFAOYSA-N 346.862 2.961 0 50 EFAA COc1cccc(-c2ncc(CNc3ncccc3C(N)=O)s2)c1 32593197 NOKCLWHLRUHLJI-UHFFFAOYSA-N 340.408 2.925 0 50 EFAA Cc1cccc2c(CCNC(=O)[C@H]3CC(c4ccncc4)=NO3)c[nH]c12 252484964 GLBWKXUMBYCANQ-GOSISDBHSA-N 348.406 2.723 0 50 EFAA O=C1Nc2ccccc2NC12CCN(c1ccc3cc[nH]c3n1)CC2 72162946 QEGLEZDEHOUZQU-UHFFFAOYSA-N 333.395 2.966 0 50 EFAA CCSCc1cc(C(=O)N2CC[C@H](C3CCN(C)CC3)C2)no1 328588361 CTOLBCVQGAFOMU-AWEZNQCLSA-N 337.489 2.732 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCCc3nccnc32)c1 72432018 JKCLIMSCAJFWEU-KRWDZBQOSA-N 339.439 2.988 0 50 EFAA CCN1CCc2nc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)sc2C1 127114375 WONGZNFLUITWGG-AWEZNQCLSA-N 347.415 2.602 0 50 EFAA Cn1cnnc1[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 328625102 CSWOISWUUCYMMV-AWEZNQCLSA-N 333.461 2.503 0 50 EFAA COc1ccc2cc([C@H]3CN(C(=O)c4cccnn4)CCO3)ccc2c1 71751189 LNSGQSUSIZGQOY-LJQANCHMSA-N 349.390 2.852 0 50 EFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1oc(CC(C)C)nc1C 330576556 QMNOJKRMZDPWGP-AWEZNQCLSA-N 335.448 2.702 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)CC2CC(c3ccccc3)C2)cn1 253396029 XXFUSCVUPZBKDT-GGXSUZLTSA-N 339.439 2.950 0 50 EFAA CC(C)CC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72411583 WOQWLQHWMONTNG-INIZCTEOSA-N 347.507 2.553 0 50 EFAA NC(=O)c1ccc(OC[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 153500149 UAGXHQGUWGVOMG-QFBILLFUSA-N 341.407 2.619 0 50 EFAA CC(C)NC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72131807 SJXXAPMCDTZDEO-RCCFBDPRSA-N 349.425 2.945 0 50 EFAA O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1cc(C2CC2)[nH]n1 363093537 ZORXNNKTFYCDDX-MRXNPFEDSA-N 338.455 2.582 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)cc1OC 71753077 RNMMTHHUZRYHSQ-HNNXBMFYSA-N 341.411 2.902 0 50 EFAA COc1cc2c(cc1OC)C(=O)CCN(C(=O)c1ccccc1)CC2 71769518 OLFRKPXPIGDCGB-UHFFFAOYSA-N 339.391 2.975 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 156398416 UHTOEBKYEGNJPO-ZIAGYGMSSA-N 329.444 2.694 0 50 EFAA CCCn1ccc2ccc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21 282859837 XEJGTDPLGVUBKY-HNNXBMFYSA-N 349.456 2.702 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2coc(-c3c(F)cccc3F)n2)C1 263056058 AIXNMGCWJBOHKB-VIFPVBQESA-N 336.294 2.557 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCn1cnnn1 77392531 NSYBBFXFYBECIJ-UHFFFAOYSA-N 337.383 2.514 0 50 EFAA CSc1nsc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)n1 157010735 GMHOMABGZMSIJX-UWVGGRQHSA-N 338.462 2.572 0 50 EFAA Cc1nc(CC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cs1 237710918 GARBNEBNAOXSFW-UHFFFAOYSA-N 344.436 2.639 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c1 72121835 CRCNAYMBVREXGP-GOSISDBHSA-N 348.468 2.638 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)C1CCN(CC(F)F)CC1 376969208 RGLGOSANOXMXQG-ZDUSSCGKSA-N 338.398 2.773 0 50 EFAA Cn1cc(CNC(=O)NCCc2cccs2)c(C(F)(F)F)n1 158991068 STFFKEUBPRHZJJ-UHFFFAOYSA-N 332.351 2.542 0 50 EFAA O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc2[nH]cnc12 159160969 KNWWQZMJZDDLCX-KRWDZBQOSA-N 348.406 2.656 0 50 EFAA Cc1[nH]nc2ncc(C(=O)N3CC[C@@]4(CCc5ccccc5O4)C3)cc12 377974353 STDMEKQDCQIOIQ-FQEVSTJZSA-N 348.406 2.876 0 50 EFAA O=C(Nc1cccc(CNC(=O)C2(O)CCC2)c1)c1cccc(F)c1 132375332 GJHFLKQRPZWNJZ-UHFFFAOYSA-N 342.370 2.609 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ocnc2C2CC2)C1(C)C 496222610 BVNJCVKFAVAJIT-NEPJUHHUSA-N 349.431 2.974 0 50 EFAA CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC[C@@H](Cc2ccccc2)C1 175345462 LOYMLBZDHQCFJT-AZUAARDMSA-N 344.499 2.871 0 50 EFAA O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CC[C@@H](C(=O)O)C1 263348692 UWXKDPLDONNMLT-CTHBEMJXSA-N 337.803 2.787 0 50 EFAA OCc1cc2n(n1)CCN(Cc1cc(F)ccc1C(F)(F)F)C2 222265266 ZVMLJFRCTIWDHY-UHFFFAOYSA-N 329.297 2.549 0 50 EFAA COc1ccc(-n2c(CCN)nnc2SCc2cncs2)cc1 426544794 MQGHXJQFGTZTCO-UHFFFAOYSA-N 347.469 2.526 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCn2ccnc2C1 178472481 LEXWXYMUYSBKNL-LBPRGKRZSA-N 333.819 2.766 0 50 EFAA Cc1oc2c(c1C(=O)N1CCC(c3ncon3)CC1)C(=O)CCC2 426538478 VQDMEGZMFMLQFP-UHFFFAOYSA-N 329.356 2.510 0 50 EFAA CCn1nc(C)c(CCNC(=O)Cc2csc(C(C)=O)c2)c1C 97515144 GXXUAQQVWLTYCK-UHFFFAOYSA-N 333.457 2.685 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)s1 91288703 RJTXYJSYHKBMRF-LSDHHAIUSA-N 332.469 2.920 0 50 EFAA O=C(c1cn(CC(=O)N2CCc3[nH]cnc3C2)c2ccccc12)C1CC1 95376844 RDRGNKMBKOYXOR-UHFFFAOYSA-N 348.406 2.542 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)c3ccsc3)C[C@H]2N(C)C)cc1 95361088 TZUQRMNXKSPLLV-DLBZAZTESA-N 330.453 2.927 0 50 EFAA CC[C@H](C(=O)NCc1ccc(-c2noc(C)n2)cc1)n1cccn1 92019570 XFIZRYZCBSVULS-OAHLLOKOSA-N 325.372 2.509 0 50 EFAA CCCn1ncc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c1C 91770415 YONODDWHDDTSNM-HNNXBMFYSA-N 340.427 2.732 0 50 EFAA CCCc1nc(C)cc(N2CCC(N[C@H](C)c3ccncn3)CC2)n1 95511816 TVCHSUXSHIYWTK-OAHLLOKOSA-N 340.475 2.847 0 50 EFAA Cc1ccc2nc(C(=O)N3CC[C@@](O)(c4ccccc4C)C3)cn2c1 91625966 RDDAOTAMEGVUAL-FQEVSTJZSA-N 335.407 2.685 0 50 EFAA CC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)[C@H]1C[C@H](O)C1 244794852 QVCKJMSIXJYNED-RBSFLKMASA-N 329.444 2.778 0 50 EFAA O=C(c1ccc(C(F)(F)F)nc1)N1CCCC[C@@H]1c1nc[nH]n1 181190420 KQMVJOTXJHALHG-SNVBAGLBSA-N 325.294 2.586 0 50 EFAA Cc1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1S(=O)(=O)NC1CC1 183648985 GIYRXTFWPSMTCE-CYBMUJFWSA-N 349.456 2.666 0 50 EFAA CC(C)N(C(=O)c1ccccc1-c1cnn(CC(=O)O)c1)C(C)C 534592638 ZURQWQYBGCORNP-UHFFFAOYSA-N 329.400 2.894 0 50 EFAA c1ncc(-c2nc(-c3ccsc3)no2)c(NC[C@@H]2CCCO2)n1 263618286 SBTMHUDHHJDIIM-NSHDSACASA-N 329.385 2.846 0 50 EFAA Nc1n[nH]c2c(I)cc(Br)cc12 216077851 JVPYZLHZBATMEP-UHFFFAOYSA-N 337.946 2.512 0 50 EFAA CC1(C)CN(c2nc(-c3ccccn3)nc3sccc23)CCN1 1337268015 LSLIEHCSXLSEBB-UHFFFAOYSA-N 325.441 2.942 0 50 EFAA C[C@@]1(CNC(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)CCOC1 685940791 VINIYWSCNNUESF-WMZOPIPTSA-N 332.444 2.616 0 50 EFAA CCNC(=O)c1cc(NC(=O)c2cnc(CC)nc2)ccc1Cl 952968108 AUFACYTXVFEBQZ-UHFFFAOYSA-N 332.791 2.694 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1C(=O)O 1565508964 YIEKQJBHEMPISM-WFASDCNBSA-N 327.384 2.650 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NC[C@@H]1CCCOC1 408522088 CTDMTQLMBXCDJM-KBPBESRZSA-N 340.464 2.565 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2oc3c(C)cccc3c2C)o1 275360714 MSQCNUYCLXHDEE-AWEZNQCLSA-N 341.367 2.955 0 50 EFAA CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1cccc(CN2CCCC2)c1 277399770 JUNFRAJVWPUQBW-MOPGFXCFSA-N 330.472 2.960 0 50 EFAA COc1ccc(Cc2noc([C@@H]3CCc4cn[nH]c4C3)n2)c(F)c1 277955482 RBCJBEZMCPJUND-LLVKDONJSA-N 328.347 2.804 0 50 EFAA Cc1cccc(N2C[C@@H](C(=O)Oc3c(C)nn(C)c3C)CC2=O)c1C 170639184 CZZSBEJINIFISP-HNNXBMFYSA-N 341.411 2.612 0 50 EFAA COc1cc(CCNC[C@@H]2CCO[C@H]2c2nccn2C)ccc1Cl 668197134 DRLGBQAHXDCZJG-WMLDXEAASA-N 349.862 2.992 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)o1 679355868 ZHEWGGWHNYUEQA-CHWSQXEVSA-N 347.440 2.917 0 50 EFAA COC(=O)C1=NOC2(CCN(Cc3cc(F)ccc3Cl)CC2)C1 189426365 AJKLNVKUDJOUPA-UHFFFAOYSA-N 340.782 2.763 0 50 EFAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)CCc2ccncn2)C1 191822475 DGOMUKNOFBMFDQ-OAHLLOKOSA-N 341.386 2.670 0 50 EFAA Cc1cc(-c2ncccc2NC(=O)N[C@H]2C(=O)NCC[C@@H]2C)cs1 194158029 YAPGGVJASZTURO-IINYFYTJSA-N 344.440 2.765 0 50 EFAA CC1(C)C[C@@]1(C(=O)O)C(=O)Nc1cc(CCc2ccccc2)[nH]n1 663092094 NGCQLTIOSMBKGG-SFHVURJKSA-N 327.384 2.634 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(=O)N(C)CC1 666967688 OOWXAIQOJCCCTQ-UHFFFAOYSA-N 338.411 2.753 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1ccccc1C(F)(F)F 1772709490 PYOIMIXFNITJFU-WDEREUQCSA-N 326.318 2.541 0 50 EFAA CSc1ccc(CN2CCCN(C(=O)c3cnccn3)CC2)cc1 1775982707 CWEVFKWYCWOZBW-UHFFFAOYSA-N 342.468 2.547 0 50 EFAA C[C@@H]1CN(S(=O)(=O)c2ncsc2-c2ccccc2)C[C@@H](C)O1 1775975121 DXZGPDWMYJOFMK-VXGBXAGGSA-N 338.454 2.608 0 50 EFAA CCc1nc(Cc2cc3c(cc2Cl)OCCO3)n([C@H]2CCOC2)n1 1772804509 QBQJKZUINPVLSN-LBPRGKRZSA-N 349.818 2.817 0 50 EFAA COCCN(C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1)C(C)C 11844316 TWYQHBSDGIBEOQ-KRWDZBQOSA-N 338.492 2.689 0 50 EFAA O=C(CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1)NC1CC1 12304904 GJWHOZBVTLQKQC-CQSZACIVSA-N 326.444 2.834 0 50 EFAA O=C(CCN1CCCCO1)N[C@H]1CCCN(C2CCCCCC2)C1 12572614 PVCBMRGXZKIZGQ-KRWDZBQOSA-N 337.508 2.707 0 50 EFAA OCC[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccccc1 19790870 OPHSZOGWZKRANY-LJQANCHMSA-N 328.431 2.895 0 50 EFAA Cn1cccc1C(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857677893 PYAOSZGVXZQCMI-XAUMDUMWSA-N 338.407 2.716 0 50 EFAA 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CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)C(C)(C)C1CC1 952879856 AGYGJGWOYVKJIQ-LLVKDONJSA-N 344.381 2.797 0 50 EFAA CC[C@@H](CC(=O)O)NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 1875286245 MHRMUUDHBSZXCD-LBPRGKRZSA-N 335.791 2.817 0 50 EFAA CCc1ncc(NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)cn1 1875254442 WAICNDQZDOGODA-UHFFFAOYSA-N 326.356 2.790 0 50 EFAA CN(C)C/C=C/C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1875377300 XEQCLHOYCMZLAE-WTMFUUHESA-N 326.444 2.823 0 50 EFAA Cc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c2ccnc-2[nH]1 1875342082 XAHYZSWDKTYIHL-DYVFJYSZSA-N 349.438 2.611 0 50 EFAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1c1nnc(C2CC2)o1 1875327361 WLEOLSQEDBOMSM-HOTGVXAUSA-N 327.384 2.848 0 50 EFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)cc1F 886055033 IKHMNKSRZMGQRI-LSDHHAIUSA-N 337.782 2.781 0 50 EFAA CCn1cc(C(=O)N[C@H](C)c2cncc(F)c2)c(C2CCOCC2)n1 888075993 MNFCJYSQFGAPGG-GFCCVEGCSA-N 346.406 2.822 0 50 EFAA CCOC(=O)c1[nH]nc(NC(=O)[C@@H](C)c2cccc(OC)c2)c1C 888130986 QCNNMCOFENTKPS-JTQLQIEISA-N 331.372 2.646 0 50 EFAA COc1ccc(C(C)(C)C)cc1-c1noc(CCS(C)(=O)=O)n1 896693668 NCXMPLHPYOKOJR-UHFFFAOYSA-N 338.429 2.630 0 50 EFAA COc1cc([C@H](C)NC(=O)N(C)Cc2nc[nH]n2)cc2ccccc12 898912141 BWGXPKJXFIVWKT-LBPRGKRZSA-N 339.399 2.869 0 50 EFAA C[C@@H]1CCCc2c(-c3nc(CCCO)nn3[C@H]3CCSC3)cnn21 2325848255 CJHPOQOBDNSVKC-OLZOCXBDSA-N 347.488 2.642 0 50 EFAA O=C(NCc1ccccc1)c1ccc(C(=O)NCc2ccccc2)nc1 473943 QWWHIXOPTFDWAU-UHFFFAOYSA-N 345.402 2.942 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccn1 542574 ABRQBNCUHYIZSK-HNNXBMFYSA-N 337.162 2.801 0 50 EFAA OCCCNC[C@@H](O)CN1c2ccccc2Sc2ccccc21 2495418 WTKGATGXKIDLBE-CQSZACIVSA-N 330.453 2.622 0 50 EFAA O=C(NC(=S)NCCOCc1ccc(Cl)cc1)c1cccnc1 2975940 VRQYVIRCOYTWOQ-UHFFFAOYSA-N 349.843 2.556 0 50 EFAA COc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)(C)C 6701612 GOFAHBRVJCNNDE-UHFFFAOYSA-N 345.424 2.974 0 50 EFAA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 8580676 OMFXVFTZEKFJBZ-QWVKJRFASA-N 346.467 2.667 0 50 EFAA CCN(CC)CCC[C@H](C)NC(=O)CC(=O)Nc1ccc(C)cc1 55197984 GWHHURRBKYAKGJ-INIZCTEOSA-N 333.476 2.950 0 50 EFAA COc1ccc(O)cc1CN1CCC[C@H](CNC(=O)C=C(C)C)C1 67773619 YGPAHCOEEORNJI-OAHLLOKOSA-N 332.444 2.695 0 50 EFAA CC[S@@](=O)CCc1nc(CC(C)C)nn1-c1ccccc1OC 65372448 AFQAGARQINTVKM-QHCPKHFHSA-N 335.473 2.786 0 50 EFAA CCN(CC1CCCCC1)C(=O)c1cc(CN2CCC(O)CC2)on1 67966062 JQORSMCTXPXBIJ-UHFFFAOYSA-N 349.475 2.674 0 50 EFAA O=S(=O)(c1ccccc1Br)N1CCc2ccncc21 346549934 RRYWSGLFYHMFOF-UHFFFAOYSA-N 339.214 2.596 0 50 EFAA CS(=O)(=O)c1ccc(-c2noc([C@H]3Cc4ccc(F)cc43)n2)cc1 349972217 QCHVWPWYOUPFGU-HNNXBMFYSA-N 344.367 2.967 0 50 EFAA CCn1c([C@H]2CCCNC2)nn(Cc2ccc(C(C)C)cc2)c1=O 67846952 SYZIXSPQKSFNRP-KRWDZBQOSA-N 328.460 2.703 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 229413926 ITVGJKBOBJDRNP-PVAVHDDUSA-N 325.412 2.928 0 50 EFAA C[C@H]1CN(c2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1 229734258 MRIAUIYRVYGUMY-QKPAOTATSA-N 347.459 2.941 0 50 EFAA c1ccc2c(c1)CC(N1CCCN(c3ncnc4[nH]ccc34)CC1)C2 77489157 UHQONLCBWGEEIT-UHFFFAOYSA-N 333.439 2.637 0 50 EFAA COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc[nH]c2C2CC2)C1 328592596 MMQSMZPHJTUADO-FQEVSTJZSA-N 338.407 2.849 0 50 EFAA C[C@@H](c1ccccc1)c1nccn1-c1ccc(S(N)(=O)=O)cc1 71614483 SHXLPUKZFIHOHC-ZDUSSCGKSA-N 327.409 2.672 0 50 EFAA CC1(C)Cc2cc(-c3nccn3[C@H]3C=CS(=O)(=O)C3)ccc2O1 72146515 RJLNZLKMPRSWRK-AWEZNQCLSA-N 330.409 2.747 0 50 EFAA CC(C)[C@H](NC(=O)COc1ccc(F)cc1)C(=O)OC(C)(C)C 152843012 JKNIBAPLVKYYNW-HNNXBMFYSA-N 325.380 2.687 0 50 EFAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1cc(C2CC2)[nH]n1 363093535 ZORXNNKTFYCDDX-INIZCTEOSA-N 338.455 2.582 0 50 EFAA CN1C[C@@]2(CCN(C(=O)C3c4ccccc4-c4ccccc43)C2)OC1=O 72174158 HAMFAXZBAOATHC-OAQYLSRUSA-N 348.402 2.852 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCOC[C@H]1c1ccco1 370904246 ICXVGUYSBLUAIE-INIZCTEOSA-N 325.368 2.538 0 50 EFAA CCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 72439183 MLGFVRAPLOQIGI-UHFFFAOYSA-N 338.367 2.803 0 50 EFAA CCn1nnc(C)c1C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 333457847 TXEOFVUFTISXKK-UHFFFAOYSA-N 343.818 2.871 0 50 EFAA Cc1noc(C)c1S(=O)(=O)Nc1cc(C2C(C)(C)C2(C)C)[nH]n1 333411545 KFQDUTWTDGDORC-UHFFFAOYSA-N 338.433 2.965 0 50 EFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@@H]1OCCc2ccccc21 237598056 VETCDBMKLOPYOA-IEBWSBKVSA-N 339.391 2.941 0 50 EFAA C[C@@H](CNC(=O)N1CCC(c2nccs2)CC1)Cn1cccn1 239654429 BNKQFOPQUWZHHM-ZDUSSCGKSA-N 333.461 2.565 0 50 EFAA CN1CC[C@@H](Cn2ccnc2-c2cnc(NCc3ccccc3)nc2)C1 71759357 JXDPSUYHKHVEDA-QGZVFWFLSA-N 348.454 2.904 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3cccnc3S)CCO2)c1 130051977 PPDYADYBFNRSKK-OAHLLOKOSA-N 330.409 2.593 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccn(C(F)F)n1 221283397 GWCWTOXZDLRCPF-UHFFFAOYSA-N 333.298 2.600 0 50 EFAA C[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 241170979 KDGBICMJRTVNAC-RDJZCZTQSA-N 344.455 2.853 0 50 EFAA O[C@@H](c1cc2n(n1)CCCN(CCCc1cccnc1)C2)C1CC1 223034219 BPMXHWIELURBDW-LJQANCHMSA-N 326.444 2.560 0 50 EFAA Cc1ccc2ncc(CN[C@@H]3CCN(Cc4ccccc4)C3=O)n2c1 241470680 NWZQNPJQFYPGCY-GOSISDBHSA-N 334.423 2.533 0 50 EFAA Cc1cnn(CCNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 175548091 FALVPVMUXBRPSQ-GUYCJALGSA-N 330.407 2.953 0 50 EFAA CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(C)=O)c2)c1 44691372 FFSQBDARKRTGBD-UHFFFAOYSA-N 339.395 2.955 0 50 EFAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(-c2ccncc2)cc1 426360450 RKRSCBBOPBSPHX-UHFFFAOYSA-N 325.412 2.783 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)c1 239025543 BTEWSGMMIUOGIN-NQLMQOPMSA-N 325.364 2.597 0 50 EFAA Cc1ccc2oc(=O)n(CC(=O)N[C@@H]3COC4(CCCCC4)C3)c2c1 426489675 QHYHOMGNBLYJAU-AWEZNQCLSA-N 344.411 2.511 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1OC 239038952 FETVUYLKJWBUHT-CFXSOUKZSA-N 347.411 2.628 0 50 EFAA Cc1cc(C)n(C2CN(C[C@@H](C)Cc3ccc4c(c3)OCO4)C2)n1 97756361 ZCXVBKAVYVPJOD-ZDUSSCGKSA-N 327.428 2.964 0 50 EFAA O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)c1cnn2c1CCC2 294813211 CCMKDHKPJYQORS-GOEBONIOSA-N 329.444 2.973 0 50 EFAA CC(C)c1cc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc(O)n1 181248872 CEHAEZQUJNHHHO-KRWDZBQOSA-N 340.423 2.994 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cn4ccnc4C)C3)nc2c1 297347209 HNVBGUOQIFJRQC-HNNXBMFYSA-N 337.427 2.782 0 50 EFAA CNC(=O)C1(NC(=O)c2ccccc2C(F)(F)F)CCCCC1 299797064 PJCCVPOLBYWUHU-UHFFFAOYSA-N 328.334 2.884 0 50 EFAA COc1cccc(OCC(=O)NCC2(N3CCCCC3)CCCC2)c1 670468101 MTRUEXCBZZJFPH-UHFFFAOYSA-N 346.471 2.989 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1NC(=O)N(C)C 1565506412 SVHRJMBAJQBYDD-PBHICJAKSA-N 342.443 2.536 0 50 EFAA Cc1ccnc(O)c1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 305872080 OZDIQXOHMSYSAU-HZPDHXFCSA-N 344.386 2.963 0 50 EFAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccco1 275483735 OATGHKWLXVUWDB-HOCLYGCPSA-N 332.425 2.585 0 50 EFAA O=C(NCc1nnc2n1CCCC2)c1ccc(C(F)(F)F)c(F)c1 188103905 CPDCOLOXOYXFHR-UHFFFAOYSA-N 342.296 2.702 0 50 EFAA C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCO[C@H]1C1CC1 680108604 BPRFVLXLJFONAE-KBPBESRZSA-N 333.812 2.715 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 192045859 FXLDHSOVJOZRQN-YOEHRIQHSA-N 348.834 2.738 0 50 EFAA O=C(O)c1coc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1 652386689 DTJHGFIROFSTNW-NSHDSACASA-N 327.340 2.894 0 50 EFAA CCn1cc(CNC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)nn1 661719175 SNXHKYRJWHULCO-BLLLJJGKSA-N 331.395 2.730 0 50 EFAA Cc1nc(C)n(CCCNC2CCN(c3ccc(F)c(F)c3)CC2)n1 1506415513 CXSKIPUUWXITGY-UHFFFAOYSA-N 349.429 2.822 0 50 EFAA Cc1c(NC(=S)NC(=O)/C=C/c2ccco2)cccc1C(=O)O 311703 FEPHUFOFCQFERW-BQYQJAHWSA-N 330.365 2.813 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccsc2)C[C@@H]1O 1704327901 JKXIEIDKTNAYDQ-FUHWJXTLSA-N 331.437 2.628 0 50 EFAA Cc1ccc(O)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c1 222348553 DKVAODKARXWFJN-CVEARBPZSA-N 343.354 2.780 0 50 EFAA CC[C@@H](C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 414649887 COVPQQARXHLPIB-SNVBAGLBSA-N 348.262 2.528 0 50 EFAA COC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 152388562 QKRBOAQBGQSLRC-ZETCQYMHSA-N 330.258 2.758 0 50 EFAA C=Cc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 12430253 JPMTVFVWDHFAGS-IBGZPJMESA-N 334.419 2.903 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c(=O)[nH]c1C 12594051 GMFYPVGOLNTBOJ-MRXNPFEDSA-N 345.487 2.909 0 50 EFAA CSCC(=O)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 14960625 HMLAHTSUQCPXPG-UHFFFAOYSA-N 342.464 2.764 0 50 EFAA COc1cc(OC)c(CN2CCC[C@H](CO)C2)cc1Br 16513139 AIUVUOLDKDDJCD-NSHDSACASA-N 344.249 2.671 0 50 EFAA O=C1C[C@@H](NCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 18276757 XLIRJIHUJIXQCN-OAHLLOKOSA-N 332.762 2.901 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@@H](Cc1ccccc1)C(=O)OCC 1857666469 MXCHQFBWHCWGRT-BBTUJRGHSA-N 347.455 2.969 0 50 EFAA Cc1ccc2ncnc(N3CCC(OCc4cccnc4)CC3)c2n1 1857676971 NQDSMNQSNJDQDZ-UHFFFAOYSA-N 335.411 2.914 0 50 EFAA O=C(c1cccc2[nH]cnc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225677596 VROQOQZIFFUOEY-XJKSGUPXSA-N 325.343 2.650 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 119219084 SBKOAGTWDDATOI-RDJZCZTQSA-N 326.444 2.510 0 50 EFAA Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]3C(=O)O)c2)cs1 237762281 FCCNIRMWRWAMNN-OAHLLOKOSA-N 346.408 2.720 0 50 EFAA O=C(CCc1cccnc1)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12460076 DVTZWYZTKKIQQM-FQEVSTJZSA-N 327.472 2.739 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348240492 ICLKIYATBHRYOZ-DOTOQJQBSA-N 339.370 2.579 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1csc(Cc2ccccc2F)n1 136525424 RVQQRNVRHMTQDR-CQSZACIVSA-N 348.399 2.952 0 50 EFAA Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccnn2C)CC1 252479128 AZQZBIZVBCQVGM-UHFFFAOYSA-N 332.835 2.734 0 50 EFAA Cc1sc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)nc1C(C)C 363861602 MXFYNVVXDPNPDH-UHFFFAOYSA-N 349.500 2.588 0 50 EFAA CC(C)(C)c1nnc2ccc(NCc3ccc(C(=O)O)cc3)nn12 262077297 DKVAHMYMTLUCDM-UHFFFAOYSA-N 325.372 2.732 0 50 EFAA C[C@H](COc1ccc(F)cc1F)NC(=O)N1CCC2(CCO2)CC1 374543192 JOSVECYHQIINJI-GFCCVEGCSA-N 340.370 2.697 0 50 EFAA COc1ccccc1C1(CNC(=O)c2ccc(C(=O)O)cc2)CC1 262272534 HGCPSUSXCPMEJH-UHFFFAOYSA-N 325.364 2.855 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 263144162 YOUQUNBKOKFPID-RRFJBIMHSA-N 340.379 2.975 0 50 EFAA O=C(O)CC[C@H]1C[C@H](C(=O)N2CCC(c3ccccc3F)CC2)CO1 901776870 XWGRPJLSPAVXMT-GJZGRUSLSA-N 349.402 2.802 0 50 EFAA CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC[C@H]1CC1(F)F 907052926 IJLKUFVDJPMYIB-NSHDSACASA-N 347.383 2.832 0 50 EFAA CC1(C)CN(C(=O)c2cc(-c3ccccc3)ccn2)[C@@H]2COC[C@H]2O1 824127116 ZUXHJBLTLBPRJR-QZTJIDSGSA-N 338.407 2.767 0 50 EFAA Cc1ccc(NC(=O)N[C@H](c2cnn(C)c2)C(C)C)c(N(C)C)n1 930505965 XWTYVQCZZUEHBT-HNNXBMFYSA-N 330.436 2.708 0 50 EFAA O=c1cc(CNc2nc(C3CCOCC3)ns2)[nH]c2ccccc12 871073790 UNBCZEIURRBKFZ-UHFFFAOYSA-N 342.424 2.886 0 50 EFAA CC1(C)CCCN1C(=O)CS(=O)(=O)c1ccc(F)cc1Cl 1875281982 ILPUCSDNPSNGQI-UHFFFAOYSA-N 333.812 2.654 0 50 EFAA O=C(OCC[C@@H](C(F)F)N1CCOCC1)C1CCC2(CC1)CC2 1875278218 JNFBCUINTWIPKJ-AWEZNQCLSA-N 331.403 2.856 0 50 EFAA CC(=O)c1cnc2ccccc2c1C(=O)NC[C@@]1(CO)CC12CCC2 1875296823 QQWWAWXEADEVSM-HXUWFJFHSA-N 338.407 2.720 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 1875369470 QAIXQTIIBBQSHU-UHFFFAOYSA-N 328.412 2.839 0 50 EFAA Cc1ccn2cc(CNC(=O)c3cc(Cl)nc(Cl)c3)nc2n1 1875363431 VQQAETNHXOLTNR-UHFFFAOYSA-N 336.182 2.670 0 50 EFAA CC(C)=C(F)CN1C(=O)CC[C@H](n2cc3c(O)cccc3n2)C1=O 1875359129 VNGXJHZPESYJHI-AWEZNQCLSA-N 331.347 2.695 0 50 EFAA Cc1cc(C(=O)N2COCC[C@H]2c2ccccc2)ccc1-n1cnnn1 888186962 XECBRESPBFQNPI-SFHVURJKSA-N 349.394 2.532 0 50 EFAA Cc1csc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)n1 1775990593 NSUDTNUBWLQSRT-CQSZACIVSA-N 340.412 2.749 0 50 EFAA COC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl 2325739591 WGEPAHAPZLWRFL-INIZCTEOSA-N 333.771 2.619 0 50 EFAA OC(CN=c1c(Cl)c[nH]cc1Br)(C1CC1)C1CC1 2325854711 RBMBJLLHEJAWEM-UHFFFAOYSA-N 331.641 2.882 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc(Cl)c2n[nH]cc2c1 2325856819 DPQLVVYCRUDESV-HNNXBMFYSA-N 340.814 2.661 0 50 EFAA CCOC(=O)NC1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 149622018 RBNIAXIEEMKHSW-CYBMUJFWSA-N 344.415 2.539 0 50 EFAA O=C(Nc1cccc(COCCOc2ccccc2)c1)[C@H]1CCNC1 151620164 ZCZYTEQQDGEFKA-KRWDZBQOSA-N 340.423 2.830 0 50 EFAA COCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 304092 XAJFPOLFNKLZNP-UHFFFAOYSA-N 344.367 2.541 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2OC)NC(=O)N1 759208 PDPFGSGWDKMLSI-MRXNPFEDSA-N 348.399 2.675 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@@H](CCc2ccccc2)C(=O)O)CC1 2386689 QFXHCEPJOKHODN-INIZCTEOSA-N 348.443 2.625 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc3ccn(C)c3c2)CC[C@H]1O 2356154433 VQABCHMOKKALDZ-IEBWSBKVSA-N 330.428 2.616 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(C2CCCCC2)C1 4814447 CUQPHLHZDFJXCO-CYBMUJFWSA-N 344.411 2.578 0 50 EFAA Cc1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4839870 HMUINUQKPKPGID-HNNXBMFYSA-N 349.477 2.886 0 50 EFAA CCOc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4842860 NLJRRRTVAJKZSU-UHFFFAOYSA-N 338.363 2.991 0 50 EFAA Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4ccco4)nc3c12 6757394 GNYNBCVIOOTZAY-UHFFFAOYSA-N 338.415 2.908 0 50 EFAA Cn1cnnc1Sc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)o1 55414320 XEBHKFCLHPUOIZ-UHFFFAOYSA-N 341.352 2.801 0 50 EFAA COc1cc(CNCC2CCNCC2)cc(Br)c1OC 10434691 NWUUMFHEDSSPAL-UHFFFAOYSA-N 343.265 2.556 0 50 EFAA COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(C)c2)c1 10543428 NYKKTEDZKMLFAT-UHFFFAOYSA-N 349.452 2.923 0 50 EFAA C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCN1 417192612 BWAKHACJSRIHQO-AAEUAGOBSA-N 345.365 2.567 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCC1=CSC2=NCCCN12 101958890 KRMALUFDOQFNHT-CYBMUJFWSA-N 347.488 2.724 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@H]2CCO)cc1 104538209 PQIHEQCZLCNILZ-LJQANCHMSA-N 328.456 2.965 0 50 EFAA Cc1n[nH]c(C)c1C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 55344289 YEMCNYMKXAMNCV-INIZCTEOSA-N 331.391 2.987 0 50 EFAA CCCCN(C)c1ccc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 247359077 OLGXJXPGBIBWLR-MOPGFXCFSA-N 346.471 2.943 0 50 EFAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN(c2ccccc2)CC1 247981742 HEGZHVSBFIBMSE-AOIWGVFYSA-N 329.488 2.892 0 50 EFAA Cc1cccc(C)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65364777 YPANKWVZNLDZFK-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA COC(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 114901953 NKAJLTAJYAJGOF-ZDUSSCGKSA-N 328.372 2.608 0 50 EFAA Cc1cc(C(=O)NC2CCCCCC2)ccc1N(C)S(C)(=O)=O 67613600 NFVLVDOQAWFQKZ-UHFFFAOYSA-N 338.473 2.843 0 50 EFAA CN1CCC(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 67601757 QJJZHBSENGKHKP-UHFFFAOYSA-N 349.906 2.762 0 50 EFAA CCN1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 28293535 HMOQGXUNPZBNJS-UHFFFAOYSA-N 347.478 2.896 0 50 EFAA C[C@](O)(CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)C(F)(F)F 253397410 YXRRIJLELPBEHV-KCJUWKMLSA-N 345.287 2.921 0 50 EFAA O=C(Nc1nc2c(s1)CCCCC2)c1cnc2sccn2c1=O 61717694 POWJYXOVYVTTGU-UHFFFAOYSA-N 346.437 2.734 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)c(F)c1 39551064 GFNDLQUQTWTREO-MRXNPFEDSA-N 338.467 2.749 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC 462363 LQVNLKJBBRAEHF-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA O=S(=O)(c1ccc(F)cc1)n1nccc1-c1ccc2c(c1)OCO2 1390332 PLKZXOAWZDUTHN-UHFFFAOYSA-N 346.339 2.655 0 50 EFAA CCc1cc(-c2cccc(O[C@@H](C)C(N)=O)c2)nc(N2CCCC2)n1 32581867 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C[C@H]1COC[C@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)CCN12 1875244093 LXPXFYVSQKHREE-XHDPSFHLSA-N 332.341 2.749 0 50 EFAA CC[C@@H](O)CCNC(=O)NCCCc1cccc(Br)c1 305081428 QSXSXNVPQVGEGN-CQSZACIVSA-N 343.265 2.842 0 50 EFAA N[C@H]1CC[C@@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)C1 237866681 QJWLVQNQMKVZQG-KGLIPLIRSA-N 336.863 2.632 0 50 EFAA C[C@H](NC(=O)c1ccc(C(=O)O)o1)c1cccc(-n2cccn2)c1 237601376 APROAKOEVCHTFG-NSHDSACASA-N 325.324 2.655 0 50 EFAA COc1ccccc1[C@H]1CN(Cc2cccc(C)n2)C[C@@H]1C(=O)O 247872110 LQIHKCHUXXBPEN-SJORKVTESA-N 326.396 2.699 0 50 EFAA O=C(CCc1ccccn1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348261370 PNXBDPNROLLBJW-PBHICJAKSA-N 332.350 2.627 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)cc1 352956133 YNNULKWHAPFQPK-HNNXBMFYSA-N 335.429 2.724 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N1Cc2ccccc2OC[C@H]1C 253427614 WOYCDQBKRGYYSB-CYBMUJFWSA-N 327.384 2.509 0 50 EFAA O=C(Cc1ccccc1O)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 253614517 BCGCCVPAURAQEE-WMZOPIPTSA-N 328.456 2.658 0 50 EFAA 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O=S(=O)(NCCCN1CCCC1)c1cc(Cl)ccc1Cl 7728042 VSXPDKXFTZKZIV-UHFFFAOYSA-N 337.272 2.758 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8016812 SKRCGNXNEYZISZ-UHFFFAOYSA-N 329.425 2.688 0 50 EFAA Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3O)n2)c1 55109131 JUCXMNVQGFARGJ-UHFFFAOYSA-N 337.379 2.952 0 50 EFAA CNc1nc(C)cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)n1 225804048 QZZYHSUNEQVIOB-UHFFFAOYSA-N 334.383 2.844 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCCc1ccc3c[nH]nc3c1)O2 342529895 KFKFDOSQDSDUFP-IBGZPJMESA-N 335.407 2.924 0 50 EFAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)Cc1ccn[nH]1 55414371 KHQUVSAMHMCPNA-UHFFFAOYSA-N 335.411 2.997 0 50 EFAA COc1ccc([C@@](O)(CCN2CCOCC2)c2ccccc2)cc1 20444432 HIXITYNFFXCAKX-HXUWFJFHSA-N 327.424 2.653 0 50 EFAA Cn1cnnc1Sc1ccc(CN[C@H]2COc3ccccc3C2)o1 20363250 JPJCJYAZJKRMNN-CYBMUJFWSA-N 342.424 2.653 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(Oc2ccncc2)c1 344785473 FARWEUFBMDPIJK-MAUKXSAKSA-N 342.395 2.750 0 50 EFAA Cc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1 20481353 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COc1ccc(-c2[nH]ncc2CN[C@@H](C)CCn2cccn2)c(F)c1 12300287 FKNFFRKIXCEALE-ZDUSSCGKSA-N 343.406 2.989 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12301466 KHBBDFJCNIWBGT-AWEZNQCLSA-N 334.370 2.655 0 50 EFAA C[C@@H](Cn1cncn1)Nc1cc(-c2ccccc2F)nc2ccnn12 72154151 IRUGOKKESZGVLQ-LBPRGKRZSA-N 337.362 2.628 0 50 EFAA O=C(c1ccc(F)c(Cl)c1)N1CCCN(C(=O)C2CCC2)CC1 75038293 UHFKIAIZNZLBET-UHFFFAOYSA-N 338.810 2.954 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccnc(C2CC2)n1 328644336 ZCVZXJQMNXKTPY-MAUKXSAKSA-N 340.475 2.607 0 50 EFAA CNc1nc(N[C@@H]2CCCN(CCc3ccccc3)C2)ncc1F 72427099 BLARJYTUTWYDDH-OAHLLOKOSA-N 329.423 2.776 0 50 EFAA COc1ncnc(OC)c1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 253429846 VGQFNEXHLHZCMB-NKSUMMKUSA-N 339.395 2.812 0 50 EFAA C[C@@H](NC(=O)c1ccc(C(=O)O)s1)c1cn(-c2ccccc2)nn1 432129498 LOYLBAFPBRHYLO-SNVBAGLBSA-N 342.380 2.518 0 50 EFAA O=C(O)c1cnc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cn1 439987646 BJTWLVZHKVRHAK-UHFFFAOYSA-N 343.770 2.758 0 50 EFAA CCc1cnc(CCNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)s1 154092041 LEGZSRRGJSEVCS-DZGCQCFKSA-N 347.488 2.737 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C 331824664 PZNPXVWARMMQQP-LBPRGKRZSA-N 333.413 2.823 0 50 EFAA CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(O)c(C)c1 155263863 JCMVJKDLGGJYIK-UHFFFAOYSA-N 326.396 2.730 0 50 EFAA CNC(=O)c1cccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 172833879 BOYYDIGVPDBMOZ-GOSISDBHSA-N 349.434 2.671 0 50 EFAA O=C(Nc1ccc(OC2COC2)cc1)c1cccc(Cn2ccnc2)c1 339341808 BCFFNXWLTTUEBC-UHFFFAOYSA-N 349.390 2.961 0 50 EFAA Cc1noc2ncnc(N3CCC([C@@H](O)Cc4ccccc4)CC3)c12 77422427 MXKMPWPBFLAAKE-INIZCTEOSA-N 338.411 2.746 0 50 EFAA Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@](C)(C(=O)O)C3)c2)cs1 261754700 PIGOCLVPHHLLPS-INIZCTEOSA-N 333.413 2.774 0 50 EFAA CCc1ccc([C@@H]2CNCCN2Cc2cnc3[nH]nc(C)c3c2)cc1 261757430 QTGQTEAIGLOMOP-IBGZPJMESA-N 335.455 2.975 0 50 EFAA O[C@H]1[C@H](NCc2cccc(F)c2)c2ccccc2C12CCNCC2 72126573 CGSASRRRURLJQM-MOPGFXCFSA-N 326.415 2.652 0 50 EFAA CC(C)N(Cc1ccccn1)S(=O)(=O)N1CCC[C@H]1c1ccco1 241969557 UXLXIEFBBZAHLG-INIZCTEOSA-N 349.456 2.967 0 50 EFAA Cc1nc([C@@H]2CCCN2Cc2ccccc2N2CCOCC2)no1 370898714 FWJWSANYXYPFIZ-KRWDZBQOSA-N 328.416 2.552 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@H](C(=O)O)c3ccccc32)n1 262693148 CPHJSIRYKCIIHU-ZFWWWQNUSA-N 327.384 2.666 0 50 EFAA Cc1nc(C)c(CNC(=O)c2cc(C)c(OCC(=O)O)c(C)c2)s1 237607895 FIVRHBJKLGZBMF-UHFFFAOYSA-N 348.424 2.770 0 50 EFAA O=C(O)c1ccccc1OCCN1CCOC[C@@H]1c1ccccc1 373233684 IPZAJOAWWURNPA-QGZVFWFLSA-N 327.380 2.837 0 50 EFAA O=C(CSc1ccncc1)NCC[C@H]1COc2ccccc2O1 216461226 CGIKEUKOGYZGFX-ZDUSSCGKSA-N 330.409 2.520 0 50 EFAA Cc1ncc(CN2CCN(C(=O)c3cccc4cc[nH]c34)CC2)s1 173305420 GQPUNOJNHMQTBW-UHFFFAOYSA-N 340.452 2.891 0 50 EFAA CCO[C@H]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C12CCCC2 174565229 CWNGKANIBPEQMV-IRXDYDNUSA-N 340.423 2.996 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286354811 PFQAGZBKNFCIAC-AMFBXLIHSA-N 345.773 2.620 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)c(C)n1C 222788658 SDMREAKVCSSJGV-LLVKDONJSA-N 325.372 2.578 0 50 EFAA Cn1c(CCCNC(=O)Cn2ncc3ccccc32)nc2ccccc21 135141408 PGZWVOBTPAWSDE-UHFFFAOYSA-N 347.422 2.672 0 50 EFAA Cc1n[nH]c(=O)c(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1C 177130232 FWFBOZMONQRSOM-UHFFFAOYSA-N 349.390 2.845 0 50 EFAA Cc1cnc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1 82138261 BXQIKAKGWDMOKN-UHFFFAOYSA-N 335.411 2.990 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 178290208 LITZUGIPYYAKAI-UPJWGTAASA-N 338.201 2.628 0 50 EFAA Cn1ncnc1COc1ccc(OCc2nc(C(C)(C)C)no2)cc1 177675479 YZQSYLKBIMEYCX-UHFFFAOYSA-N 343.387 2.654 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ncnn1C 222598280 KVFHBHZGFAQAOD-QGZVFWFLSA-N 341.459 2.933 0 50 EFAA CN1CCCC2(CC1)CCN(C(=O)NCCc1ccc(O)cc1)CC2 426372295 QLXUNQQGOVISHR-UHFFFAOYSA-N 345.487 2.842 0 50 EFAA Cn1c(CCN)nnc1SCc1ccccc1OC(F)(F)F 426628188 IHBXLBCTORDJBV-UHFFFAOYSA-N 332.351 2.507 0 50 EFAA CN(C)c1ccc(CNC(=O)c2ccn(CCc3ccccc3)n2)cn1 294331935 KTMXVJSTEZLKEO-UHFFFAOYSA-N 349.438 2.517 0 50 EFAA CCOC(=O)N1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 91452712 XFYXQLXGIJLIMR-OAHLLOKOSA-N 330.428 2.844 0 50 EFAA CCCN(CCc1ccccc1)c1cc([C@@H]2CCOC2)nc(N)n1 426401713 JHLBJMDVTWSMLJ-MRXNPFEDSA-N 326.444 3.022 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccsc2)C1 95386454 OXRVGBGDLCYOLO-CQSZACIVSA-N 332.473 2.526 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCOc2ccccc2C1 95359518 MDJAUZOXKCAREX-OAHLLOKOSA-N 327.428 2.717 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCOc2ccccc21 238035517 UDCFGRRYUSBLRH-DLBZAZTESA-N 337.375 2.591 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)n1 95360219 USFKFFWDCPLXEG-HNNXBMFYSA-N 327.384 2.621 0 50 EFAA CC(C)(C)n1cnc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 293384503 QYEUAAOHSROJMX-CQSZACIVSA-N 348.834 2.900 0 50 EFAA Cc1cc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 179840050 RPHCFTSJOZELQG-INIZCTEOSA-N 338.411 2.560 0 50 EFAA COCCC[C@]1(CO)CCCN(CCOc2ccc(F)cc2)C1 91364780 OPCJVZKBNPFUGA-GOSISDBHSA-N 325.424 2.706 0 50 EFAA Cc1nc(C)c(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)s1 97732808 JVXHYRFAPRNQAI-INIZCTEOSA-N 329.469 2.693 0 50 EFAA COC[C@]1(O)CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1(C)C 91381634 JQZGKNUZHYRSOX-QGZVFWFLSA-N 341.835 2.598 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95383600 MBNHUDOWDCUHJG-ZDUSSCGKSA-N 347.802 2.792 0 50 EFAA Cc1nc(NC[C@@H]2CC(=O)N(C)c3ccccc32)c2c(C)noc2n1 95384322 PMYHZGFUFGEIQZ-LBPRGKRZSA-N 337.383 2.797 0 50 EFAA COc1ccc([C@H](NC(=O)CC2CCCCC2)[C@H]2C[C@@H](O)C2)cn1 243893124 ANYGTTHKHXISSM-FCEWJHQRSA-N 332.444 2.989 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cncs2)[C@H]2C[C@@H](O)C2)cc1F 244893997 YXXXGOGLUXHSES-JRPNMDOOSA-N 336.388 2.533 0 50 EFAA Cc1ccc(C)n1CC(=O)Nc1ccc2c(c1)ncn2CCN(C)C 253405482 IHXGIGWYQFVUCA-UHFFFAOYSA-N 339.443 2.655 0 50 EFAA Cc1ccc(-n2cc(C(=O)N[C@@H]3CCCO[C@@H]3CC(C)C)nn2)cc1 184796582 XBPWFBSKRJGCNT-SJLPKXTDSA-N 342.443 2.899 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cccc(F)c2C)[C@H]2C[C@@H](O)C2)cn1 252535868 HBFVELRYLWRZRQ-QWQRMKEZSA-N 344.386 2.780 0 50 EFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)COC2CCCC2)c1 262338178 XPJHULRBOHGGRZ-UHFFFAOYSA-N 343.383 2.777 0 50 EFAA Cc1cccnc1[C@@H](NC(=O)c1cc(C(C)C)nc(N)n1)C1CC1 534644060 KYGRXCLPBIVSLW-INIZCTEOSA-N 325.416 2.767 0 50 EFAA Cc1nc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)N(C)C)c2)n[nH]1 592850520 UEQJHKUSCZDUFR-SFHVURJKSA-N 349.438 2.892 0 50 EFAA CCOCCOc1cccc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)c1 1565526182 BUHBTDLNRXROOI-MOPGFXCFSA-N 348.487 2.760 0 50 EFAA Cc1ncsc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 276113341 XELCVHNEHCFMGC-MRXNPFEDSA-N 344.484 2.973 0 50 EFAA Cc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)sc1C 276334552 RRBVEZPHLCZFFX-UONOGXRCSA-N 349.504 2.852 0 50 EFAA CN1CCC(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 305946330 HPSFTRIRHSGKDO-MRXNPFEDSA-N 339.524 2.953 0 50 EFAA COC(=O)[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)c1c(C)cccc1C 170597948 IMIVTCNQOKOILQ-WBVHZDCISA-N 343.427 2.708 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)c1cccnc1C(F)(F)F 170607691 MTLDWLMAZGQWLS-UHFFFAOYSA-N 336.317 3.000 0 50 EFAA Cn1c(S)nc2cc(C(=O)OCc3ccsc3)ccc2c1=O 170645979 HWJCXBGDPPTLKI-UHFFFAOYSA-N 332.406 2.641 0 50 EFAA CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 170759442 KYKZLTQAYBFFHW-CQSZACIVSA-N 344.440 2.717 0 50 EFAA CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc(-n3cccn3)nc2)CCO1 279694896 BDPPLYYMIRUCSN-AWEZNQCLSA-N 329.404 2.546 0 50 EFAA CCn1c(COC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 670072753 QBMDDARBRYLJFX-HOTGVXAUSA-N 335.496 2.535 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCN1 188368371 SHRMQUHDDUTLEU-KGYLQXTDSA-N 328.334 2.509 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)Nc2ccc(O)c(Cl)c2)c1 190934197 LARLWXCHRBYXGF-UHFFFAOYSA-N 344.762 2.974 0 50 EFAA Cc1cc2ncn(CC(=O)N3CC(=O)Nc4ccccc43)c2cc1C 193075932 HMIUGXLFOOSJMS-UHFFFAOYSA-N 334.379 2.638 0 50 EFAA C[C@@H](NS(=O)(=O)c1c[nH]c2cccc(F)c12)c1nccs1 195228727 WIXBSRNFOQWBPS-MRVPVSSYSA-N 325.390 2.803 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)cc1 198123721 IXNRNFGVXBXCRW-QGZVFWFLSA-N 336.395 2.804 0 50 EFAA C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccc(CO)cc1 1776005666 FKWLCAQKWCJBBO-CQSZACIVSA-N 334.460 2.914 0 50 EFAA COc1ccc(-c2onc(N[C@H]3CCCN(C)C3)c2C(=O)O)cc1 1704306584 PFAUIHHKYACFPQ-LBPRGKRZSA-N 331.372 2.555 0 50 EFAA CCn1ccnc1CN1CCC[C@@](CO)(Cc2cccc(OC)c2)C1 11936578 UAPJFTCDBVJDQF-HXUWFJFHSA-N 343.471 2.729 0 50 EFAA O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCc1ccccc1 12338207 POXXVEPGUTYYSV-OAQYLSRUSA-N 336.435 2.975 0 50 EFAA COc1cccc(CC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 12385565 FNWYECVIQFSCSB-SFHVURJKSA-N 346.471 2.894 0 50 EFAA CC(C)OCCNC(=O)c1cc(COc2ccc(F)cc2F)on1 12385666 MUBUPRDDDYEIQG-UHFFFAOYSA-N 340.326 2.687 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 12406040 DREWFUUBGCFJFE-UHFFFAOYSA-N 330.359 2.844 0 50 EFAA Cc1c(C(=O)N2CCCCC2)sc2ncnc(N[C@H]3CCOC3)c12 14976495 BHXHHHOMMRCABI-LBPRGKRZSA-N 346.456 2.827 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)s1 19772263 SYAOQBQCQHEIQI-GFCCVEGCSA-N 349.481 2.827 0 50 EFAA CCc1ccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)o1 19841692 IUBRZHRSZSDCEK-SFHVURJKSA-N 343.471 2.614 0 50 EFAA CN1c2cc(C(=O)NCc3cccs3)ccc2C(=O)N2CCC[C@@H]21 169765927 UPXWJRISKCVFAJ-MRXNPFEDSA-N 341.436 2.690 0 50 EFAA Cc1ccccc1OCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 163897706 APNOARNEBWIGPC-LPHOPBHVSA-N 332.444 2.710 0 50 EFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857667180 IPKITYUAPDAFRG-XFBWCDHKSA-N 346.814 2.500 0 50 EFAA COCCOc1cccc(-n2ccnc2-c2cnn3cccnc23)c1 1857683678 ZDQSHJYVDBQSHH-UHFFFAOYSA-N 335.367 2.607 0 50 EFAA COc1cc(CNC(=O)[C@H](O)C2CC2)ccc1OCc1ccccc1 408524133 YHFIWTTWNARVCX-LJQANCHMSA-N 341.407 2.661 0 50 EFAA O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCNC1 225470437 QXXJKZBAXZJDQX-GFCCVEGCSA-N 337.261 2.597 0 50 EFAA Cc1noc(CCCC(=O)NCCN2CCC3(CCCCC3)CC2)n1 225671248 VHYVKGCUHSZXKL-UHFFFAOYSA-N 348.491 2.863 0 50 EFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1 225631422 FQPROUPMTKSKQF-YESZJQIVSA-N 346.402 2.843 0 50 EFAA C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cn2)CC1 122670425 QWECIKOPIZAVTD-ZDUSSCGKSA-N 343.406 2.963 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2F)nn1 643889760 KZMPHKFLLFAUCZ-INIZCTEOSA-N 346.381 2.727 0 50 EFAA CN1CCC2(CC1)C[C@@H](NC(=O)Cc1ccoc1)c1ccccc1O2 129470664 MWXZRKZHQVTFIO-QGZVFWFLSA-N 340.423 2.927 0 50 EFAA CC(C)n1nccc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 129747050 KBPCWJGEJSJPLM-UHFFFAOYSA-N 330.432 2.794 0 50 EFAA Cc1nnc(CNC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n1C1CC1 242147468 WSCMTJRVTCFINR-CYBMUJFWSA-N 346.818 2.757 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)CCO1 249055062 GRASBDFWZKUIFY-TXPKVOOTSA-N 337.508 2.850 0 50 EFAA CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Nc3ccon3)ccc21 903615720 JYGIMBHRMPQJHZ-UHFFFAOYSA-N 349.412 2.510 0 50 EFAA CNC[C@@H]1CCCCN1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 923429708 BQPYILCAXRQPCV-JKSUJKDBSA-N 330.394 2.683 0 50 EFAA C[C@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccccc1)C(C)(C)CO 864094073 CXDZFHWEHKKWHC-GOEBONIOSA-N 336.476 2.843 0 50 EFAA O=S(=O)(N1CCCCCC1)N1CCC[C@@H](c2ccncc2)CC1 952880985 FNMCNBBAZRASSG-MRXNPFEDSA-N 337.489 2.772 0 50 EFAA COC1(OC)CC2(CN(C(=O)Nc3cncc(F)c3)[C@@H]2C(C)C)C1 877871394 OIIGNSDKDUOKJQ-CQSZACIVSA-N 337.395 2.862 0 50 EFAA CCO[C@@]1(c2nnc(-c3ccncc3C(F)(F)F)o2)CCOC1 886082215 LVXIWJKBMSPOBW-ZDUSSCGKSA-N 329.278 2.803 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(C(C)C)on2)C1 888103212 PUUUZSHFHFVJKQ-OCCSQVGLSA-N 332.404 2.740 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N3CCOC[C@]3(C)C3CC3)c2c1 890584127 OTEDYBKEPSLGNG-LJQANCHMSA-N 328.412 2.747 0 50 EFAA NC(=O)c1nccnc1N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 895906754 XRXPDDBCYONDCG-LBPRGKRZSA-N 345.834 2.557 0 50 EFAA OCC1(NCc2cc(O)cc(Br)c2)Cc2ccccc2C1 2325806909 NQXOQVUNJIZCGQ-UHFFFAOYSA-N 348.240 2.774 0 50 EFAA O=C(N[C@H]1CNCCOC1)c1ccc(-c2cccc3cccnc23)cc1 2325855686 LAJSKIHOANFQHP-SFHVURJKSA-N 347.418 2.620 0 50 EFAA CC(C)CN1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O 20993978 RTKAPFWIZHYTEH-AWEZNQCLSA-N 341.411 2.820 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1ccc(N2CCOCC2)cc1 4122997 KRLYHCLWTURWLZ-UHFFFAOYSA-N 342.395 2.793 0 50 EFAA CCC1=NN(C(=O)COc2ccccc2C)[C@](O)(c2ccncc2)C1 4959621 BYZWRNRVHZBGMA-LJQANCHMSA-N 339.395 2.612 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)CSc2nccn2C)s1 6700544 KLVPHRCHKWXZRT-UHFFFAOYSA-N 339.442 2.561 0 50 EFAA Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccco1 6725774 IMHGSXFTXSTFFT-UHFFFAOYSA-N 349.803 2.854 0 50 EFAA C[C@H]1CCC[C@H](OCC(=O)OCCOc2cncc(Cl)n2)C1 112759708 OGTYRQYNRUCARX-RYUDHWBXSA-N 328.796 2.647 0 50 EFAA O=C(C1=COCCO1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 113217298 AHDYLQBJOZAZCS-HNNXBMFYSA-N 339.395 2.671 0 50 EFAA CCSc1nc(CC(=O)NCc2ccc(O)c(OC)c2)cs1 55244797 MKVANSCJWUPYEH-UHFFFAOYSA-N 338.454 2.828 0 50 EFAA CCC(=O)c1ccc(OCC(=O)NCc2cncn2CC(C)C)cc1 55255950 BXEYTOJMGMBWSK-UHFFFAOYSA-N 343.427 2.827 0 50 EFAA CCCc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)[nH]n1 55283214 QMRWSQKFMNVDLW-INIZCTEOSA-N 328.416 2.579 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n(C)n1 67654540 YLCMQFBGJUWHCR-AZUAARDMSA-N 349.434 2.872 0 50 EFAA COc1cc(CN(C)[C@@H]2CCCCNC2=O)c(SC)cc1OC 119056876 JOBTUTSWGXTXJR-CYBMUJFWSA-N 338.473 2.526 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)c1cc(Cl)c[nH]c1=O 67893972 KNFRTEXJQHTHOT-UHFFFAOYSA-N 329.787 2.755 0 50 EFAA COC(=O)c1cnc([C@H](C)NC(=O)CCc2ccccc2OC)s1 424991965 GDVVJRTUWMWWFI-NSHDSACASA-N 348.424 2.748 0 50 EFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 229930174 GWPUPDAMTNREIU-ZOCIIQOWSA-N 339.439 2.623 0 50 EFAA CN(c1nc(CN2CC[C@@H](Oc3cccnc3)C2)cs1)C1CC1 229959797 VQCRJSFKWHLYGC-MRXNPFEDSA-N 330.457 2.790 0 50 EFAA CC[S@](=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1 252512143 NEWRMJVSKGPCLM-UVARLRKDSA-N 349.543 2.723 0 50 EFAA O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1nc2ccc(F)cc2[nH]1 252507595 WOXZPQKFGBLFIV-LBPRGKRZSA-N 344.390 2.893 0 50 EFAA CC(C)c1nnsc1CNc1nc(CCN)nc2ccccc12 65492451 KFJTWNSSEWRBLJ-UHFFFAOYSA-N 328.445 2.718 0 50 EFAA CCc1nccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)n1 65374428 CLXAQADYQLZWSK-JTQLQIEISA-N 343.383 2.539 0 50 EFAA CCCOc1ccccc1C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 67688656 GUEPFOHVJYBTNH-IBGZPJMESA-N 330.428 2.560 0 50 EFAA Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCC2)c1C(N)=O 483766 DMCKSVMTMNKDOA-UHFFFAOYSA-N 338.429 2.849 0 50 EFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccccc1OC(F)(F)F 356266277 VUMAZECKVHAGKF-UKRRQHHQSA-N 344.377 2.880 0 50 EFAA CCOC(=O)c1cn(C)nc1NC(=O)c1cc(F)cc2cccnc12 253416601 XVXREAMDWZMZBQ-UHFFFAOYSA-N 342.330 2.536 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 328653956 XCQKWOYMEVIKBT-ZDUSSCGKSA-N 335.477 2.626 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CCO2)o1 328610551 IJYILJUVYGRPGJ-JJXSEGSLSA-N 333.432 2.884 0 50 EFAA COCC(=O)N1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 71278700 GNYGJUOAVAHIQK-UHFFFAOYSA-N 327.380 2.735 0 50 EFAA O[C@H](COc1ccc(F)cc1)CN1CCC[C@H]1c1noc(C2CC2)n1 257366415 XMUDDQBPLLQMID-HOCLYGCPSA-N 347.390 2.663 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)c1 331964829 QVKCYTNLGNXTNW-KRWDZBQOSA-N 331.441 2.673 0 50 EFAA O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1Cc2cc(F)ccc2O1 241809984 SCEBCXILYRNDGW-IIDMSEBBSA-N 331.387 2.880 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[S@@](=O)C(C)(C)CC1 333837838 MSIWIWLKXXPSFO-DAOPMYJZSA-N 338.477 2.619 0 50 EFAA COc1ccccc1C(=O)N(C)[C@@H]1CCCN(c2ccc(C)nn2)C1 371730564 VVJGGWBOYDTQLY-OAHLLOKOSA-N 340.427 2.535 0 50 EFAA CN(Cc1ccno1)c1nc(CCc2ccccc2)nc2c1cnn2C 72146861 YRRDLJNVYDEIFV-UHFFFAOYSA-N 348.410 2.773 0 50 EFAA Cc1cc(C2CCC2)nc(N2CCC3(CCNC(=O)CC3)CC2)n1 71752916 MCPVBWYCBPTGOJ-UHFFFAOYSA-N 328.460 2.939 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)C[C@H]1OCCc2ccccc21 237928174 YMXXHGOHCJHMTL-DOTOQJQBSA-N 331.412 2.936 0 50 EFAA CCc1nc(N)sc1C(=O)N(C)Cc1cnc2ccccc2n1 215556137 VZCAGUKOZZWRGP-UHFFFAOYSA-N 327.413 2.503 0 50 EFAA CC(C)(C)n1ncnc1CNC(=O)N1CCCC[C@@H]1c1nccs1 283286278 WHEIHSYWRIKGJW-GFCCVEGCSA-N 348.476 2.926 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(C/C=C/c3ccc(F)cc3)C2)nn1 285494657 MQTWVZJBFPZTFU-JUGMSXHOSA-N 344.434 2.995 0 50 EFAA CN(CCOc1ccc(Cl)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239275159 BGGPVIKDBWKTGU-HZPDHXFCSA-N 348.830 2.559 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1COc2ccccc2C1 82083371 UZZHYKKXBSCARX-INIZCTEOSA-N 349.390 2.946 0 50 EFAA O=C(CC[C@@H]1CCOC1)Nc1nc2ccccc2nc1N1CCCC1 176608875 OYAZTVIPGDTUPG-CQSZACIVSA-N 340.427 2.985 0 50 EFAA Cc1cc(N2CCC(NC(=O)N3CCC[C@H](C)CC3)CC2)nc(C)n1 176894283 MIVSXDKBGJTBLT-AWEZNQCLSA-N 345.491 2.894 0 50 EFAA O=C(NCCCc1nnc2ccccn12)c1cnoc1-c1ccccc1 426548403 CGMSIBLHILMXRD-UHFFFAOYSA-N 347.378 2.747 0 50 EFAA CCOc1ccccc1CN1CCN(c2cccc(OC)c2)C(=O)C1 82156125 WDIHIEALZDJWTD-UHFFFAOYSA-N 340.423 2.943 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)ccn1 82146901 QHRHOQXFIABILN-MRXNPFEDSA-N 340.427 2.717 0 50 EFAA O=C1NCC[C@@H]1Sc1nccn1-c1ccc(Br)cc1 179006043 PBIWZINOJYQVIJ-NSHDSACASA-N 338.230 2.615 0 50 EFAA O=C(O)c1cccc(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)n1 91411529 BENWRPHUDFAKRT-LJQANCHMSA-N 343.427 2.541 0 50 EFAA CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1Br 230534789 HZIIAZDKCMJNMB-UHFFFAOYSA-N 328.178 2.758 0 50 EFAA Cc1nc2ccc(NC(=O)N(C)CCc3cnn(C)c3)cc2nc1C 95520277 MYOHMHIKHKMDDQ-UHFFFAOYSA-N 338.415 2.687 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)c1ccc2ncsc2c1)C1CC1 426428940 UBVFHVRXOOFPOQ-AWEZNQCLSA-N 327.413 2.789 0 50 EFAA COc1ccc(CCNC(=O)N[C@@H]2CCCOCC2)c(Cl)c1 179658975 DYORSADLKYAQBB-CYBMUJFWSA-N 326.824 2.759 0 50 EFAA Cc1nc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2sccc2n1 91391236 OQBPYEYLSOGTIV-QWHCGFSZSA-N 338.436 2.785 0 50 EFAA COCCN1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1 22932784 OSDKXMBZPQKSJP-UHFFFAOYSA-N 348.878 2.505 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(c2cc(NC(C)C)ncn2)C1 95524682 LFVOTYXHLVCTMT-HNNXBMFYSA-N 344.463 2.524 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 91747043 NFVFFJLINSLVLJ-INIZCTEOSA-N 326.444 2.989 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 237938586 QENCFGOOMFLCJA-NSHDSACASA-N 333.413 2.998 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCc3c(F)cc(F)cc32)cn1 181221504 JGXGFGJZOMDJQS-UHFFFAOYSA-N 340.351 2.510 0 50 EFAA CC(C)n1nc(C(=O)NCC[C@@H]2CCCCO2)c2ccccc2c1=O 181593251 ZTBZKFJMLZHSOJ-AWEZNQCLSA-N 343.427 2.666 0 50 EFAA CSCc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)o1 244678663 IHSOPRGODZSNRJ-UHFFFAOYSA-N 338.473 2.516 0 50 EFAA NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 242302185 YQFDMTSMTKUKEE-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA C[C@@H]1CCC[C@@H](C)C1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 182953584 RKYKXHPPFHZISX-ZIAGYGMSSA-N 343.471 2.932 0 50 EFAA C[C@@H](CN1CCCC1=O)NC(=O)c1c(Cl)c2ccccc2n1C 299246941 ZSTQPAHSKDMKFP-NSHDSACASA-N 333.819 2.572 0 50 EFAA Cc1nccc(C2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)n1 252482002 CWQBNQOTRHKUEI-HNNXBMFYSA-N 338.455 2.669 0 50 EFAA Cc1noc(C)c1CNC(=O)N1CCCC[C@H]1CCn1ccnc1 534640839 RPHUXQNVPOOOCD-HNNXBMFYSA-N 331.420 2.642 0 50 EFAA COCCCNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 263639911 OFHRAQSREFAXHD-UHFFFAOYSA-N 335.713 2.773 0 50 EFAA Cc1nonc1CNC(=O)c1cccc(CN2CCCCCC2)c1 299777088 INQCCDHHDWRAJR-UHFFFAOYSA-N 328.416 2.684 0 50 EFAA O=C(CC1CCCC1)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565525394 VKMSCBBTYHAETG-IRXDYDNUSA-N 347.411 2.618 0 50 EFAA COCc1noc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1 187873418 JPLPIZYNRVRDCJ-CYBMUJFWSA-N 341.770 2.582 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c2cccnc2O1 682796542 DKCHSJSVFFNDSZ-ZGYLKHSLSA-N 342.317 2.551 0 50 EFAA CCc1c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)oc2ccccc12 640865328 CNVASTNQABPHMX-XKQJLSEDSA-N 342.439 2.713 0 50 EFAA COc1cccc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)c1F 643890115 WFMKPJMPUQNDKM-AWEZNQCLSA-N 344.390 2.668 0 50 EFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1nc(Cl)ccc1Cl 195542657 YWUIZUJSSLCSPB-LLVKDONJSA-N 339.178 2.814 0 50 EFAA COCc1nc([C@@H]2CCCCN2C(=O)NCc2ccc(C)s2)n[nH]1 663573595 MOBUDKJQFAKVHM-ZDUSSCGKSA-N 349.460 2.758 0 50 EFAA CC(C)n1cc([C@@]2(O)CCN([C@@H](C)CCc3cccc(F)c3)C2)nn1 794018126 FGWMCZDECDTMGP-HNAYVOBHSA-N 346.450 2.913 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1 138206 NWOXVSRZYCDAOL-UHFFFAOYSA-N 335.157 2.868 0 50 EFAA CCc1nccn1CCC(=O)N1CCC([C@H](O)c2cccs2)CC1 1506416437 WFCSSPXBLVBCJC-SFHVURJKSA-N 347.484 2.869 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529188711 AQUUOZNFLKWDRD-IEBWSBKVSA-N 342.414 2.917 0 50 EFAA O=C(NCc1ccc(Br)s1)C1(NC2CC2)CCC1 662499226 PSQUIJVOQZXRGO-UHFFFAOYSA-N 329.263 2.802 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@H]1COC[C@H]1Cc1ccncc1 1615735249 AQUUOZNFLKWDRD-MJGOQNOKSA-N 342.414 2.917 0 50 EFAA COCCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704344356 LUPFVCJFHYXXGI-UHFFFAOYSA-N 328.412 2.595 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1cccc(Cl)c1 1704355288 PFHIKJZVOHNGPI-UHFFFAOYSA-N 348.878 2.895 0 50 EFAA O=C(C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1)c1ccco1 11753729 BVRMBJIJOYIDSG-UHFFFAOYSA-N 339.326 2.576 0 50 EFAA O=C1CC[C@@H](CCNCc2cccnc2)N1Cc1ccccc1F 12134902 DNBGCZOFTVGQRW-KRWDZBQOSA-N 327.403 2.892 0 50 EFAA COC(=O)c1ccc(-c2noc(CN(C)C[C@@H]3CCCCO3)n2)cc1 12192723 XHKMGWFLXFVFQG-HNNXBMFYSA-N 345.399 2.524 0 50 EFAA C[C@H](Oc1ccccc1Br)C(=O)NCc1ccccn1 12380701 RQEQJQCZCFUTCC-NSHDSACASA-N 335.201 2.928 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(Cl)c1 19681767 VJYGBFZSFOEKNA-UHFFFAOYSA-N 332.231 2.837 0 50 EFAA O=C(COc1ccccc1)N1CCN(Cc2ccccc2F)CC1 19773558 XDEQVLZTNIFZAG-UHFFFAOYSA-N 328.387 2.549 0 50 EFAA O=C1C[C@@H](NC2CCCC2)C(=O)N1c1ccc(Br)cc1 19848341 MZYISCUOSLSQRH-CYBMUJFWSA-N 337.217 2.613 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(c3nccc4ncccc34)CC2)O1 1857707874 NUZZMUMBVINUFQ-CABCVRRESA-N 327.428 2.919 0 50 EFAA Cc1cncc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c1 1857718406 ICSQFVIRLOHIOE-OALUTQOASA-N 339.439 2.534 0 50 EFAA Cc1cccc(N2CCC(N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)CC2)c1C 1857732721 CVCQCGFZGBGAHP-DBVUQKKJSA-N 343.515 2.723 0 50 EFAA COc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)c(Cl)c1 237174397 PCZSWSLJOFMFIH-LBPRGKRZSA-N 339.819 2.995 0 50 EFAA COc1cc(C)c(-c2cc(C(=O)O)c(OC)c(OC)c2OC)cn1 1875244635 XCASZEYNXZSPKA-UHFFFAOYSA-N 333.340 2.790 0 50 EFAA CC(=O)N1CC[C@H](CNC(=O)CSCc2ccc(Cl)cc2)C1 408516603 INFCLFVSFVBPAO-CQSZACIVSA-N 340.876 2.558 0 50 EFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2nn(C)cc2C)C1 412113470 CWIJBFUXUIONNI-OAHLLOKOSA-N 330.407 2.575 0 50 EFAA CC[C@@H](C(=O)N1CCC(NCc2cnn(C)c2)CC1)c1ccccc1 236961861 OYDKTSUWVAYKCI-LJQANCHMSA-N 340.471 2.695 0 50 EFAA O=C(NC[C@@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1)C1CC1 12041548 ONMJFOCTRAWAAI-ZDUSSCGKSA-N 329.787 2.627 0 50 EFAA CN[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C1 133535647 RFNBDTXHAUNDAS-AWEZNQCLSA-N 332.835 2.658 0 50 EFAA Cn1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 252486547 LGMYJLYHTIZIQE-IACUBPJLSA-N 329.366 2.876 0 50 EFAA COc1cccc(C[C@@H](NC(=O)NC[C@@H](C)O)c2ccccc2)c1 252488114 IJZVODBJZHMCQW-RDTXWAMCSA-N 328.412 2.659 0 50 EFAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1noc2c1CCCC2 252499057 RUQFXOBVPCZFLT-CYBMUJFWSA-N 342.395 2.757 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O 262983390 PNWCNOKSBZCMKK-LBPRGKRZSA-N 328.368 2.976 0 50 EFAA C[C@@](NC(=O)[C@@H]1CCCO1)(C(=O)O)c1ccc(Cl)c(Cl)c1 263152896 XMUUTGGZWJDYET-FZMZJTMJSA-N 332.183 2.588 0 50 EFAA O=C(O)c1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 263437751 VYXGSXMUWQHBQF-UHFFFAOYSA-N 331.803 2.755 0 50 EFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)[C@@H]3C(C)C)s2)o1 264090509 DROUQCHPWQKDRI-ZDUSSCGKSA-N 347.440 2.617 0 50 EFAA C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@@H](c2ccco2)C1 162958868 RUFLIPAMQMRCPW-BXUZGUMPSA-N 328.372 2.779 0 50 EFAA COc1cc(OC)nc(C(=O)Nc2nc3cc(C)cc(C)c3o2)n1 903707626 DCNDKMUYHNHYRE-UHFFFAOYSA-N 328.328 2.504 0 50 EFAA FC(F)(F)c1ccc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)cc1 904536863 FBNGRMLBZQTZDT-DOMZBBRYSA-N 339.317 2.633 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccccc32)c(C)c1C(=O)O 1875265302 ABTGTVDSOQMXKV-AWEZNQCLSA-N 331.393 2.577 0 50 EFAA O=C(O)[C@@H]1[C@H]2CCCC[C@H]2CN1Cc1cncc(Br)c1 1875283273 LUXVDEGTFJZWQK-UBHSHLNASA-N 339.233 2.919 0 50 EFAA Cc1nnc([C@@H]2COCCN2Cc2cnc(-c3ccccc3)o2)o1 1875271401 DGYQUFUYCGBUTA-HNNXBMFYSA-N 326.356 2.607 0 50 EFAA C[C@@](NC(=O)[C@H]1CCCc2scnc21)(C(=O)O)c1ccccc1 1875292712 QNBRMVGXOUWZGX-SJCJKPOMSA-N 330.409 2.679 0 50 EFAA O=S(=O)(c1sccc1F)N1CCOC[C@@H]1c1cccc(F)c1 888092826 IMMDCRAXDIRBCH-CYBMUJFWSA-N 345.392 2.789 0 50 EFAA Cc1c(CC(=O)N2CC[C@H](C(F)(F)F)C2)nnn1-c1ccccc1 888008521 ZXWAUAVYOUOLHU-LBPRGKRZSA-N 338.333 2.529 0 50 EFAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc(Br)cc1Cl 263035204 CLTKPYPXWMSSPM-WRXNHJIOSA-N 332.581 2.696 0 50 EFAA CCOC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1 1070842 NOQVHYUTPNTQOK-UHFFFAOYSA-N 327.365 2.972 0 50 EFAA Cc1sc([C@H](C)N)nc1C(=O)NC[C@@H]1CCCC12CCOCC2 2325769213 YRMHFHXOABTUFO-AAEUAGOBSA-N 337.489 2.798 0 50 EFAA CC[C@@H]1CCc2sc(C(=O)N[C@H](C)c3nc([C@@H](C)O)n[nH]3)cc2C1 2325803986 NPVGSUORNPKUON-GMTAPVOTSA-N 348.472 2.925 0 50 EFAA Cc1cnc(CNC(=O)c2cc3sc(Br)cc3[nH]2)[nH]1 2325857647 KADRGEPDUQJQSF-UHFFFAOYSA-N 339.218 2.953 0 50 EFAA Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)no1 110686005 NAZLVLZCJLFUDR-WBMJQRKESA-N 343.431 2.849 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](Sc3ccccn3)C2=O)cc1 85285 XOWOVPCKLMEVNI-CQSZACIVSA-N 328.393 2.905 0 50 EFAA Nc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1 436099 UQIAOINDLAFVMA-SMDDNHRTSA-N 327.306 2.522 0 50 EFAA Cc1cccc(NC(=N)Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1C 448802 ZSIRYYRORBEFAD-UHFFFAOYSA-N 325.294 2.864 0 50 EFAA aggregator CC(=O)N1[C@H](c2ccc3c(c2)OCO3)OC(=O)C[C@@H]1c1ccccc1 489421 GTCXRHKYOKPUID-BEFAXECRSA-N 339.347 2.951 0 50 EFAA biogenic COc1ccc(N2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 615531 PHFVWAOCZNWECS-SLTAFYQDSA-N 330.428 2.743 0 50 EFAA COc1ccc(-c2onc(N3CCC[C@@H](N(C)C)C3)c2C(=O)O)cc1 2356147109 IGCDBIIZORDXLI-CYBMUJFWSA-N 345.399 2.579 0 50 EFAA COC(=O)c1ccccc1NC(=O)CCOc1ccc(OC)cc1 2882099 JGVQLDUXFADFGB-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)C(C)(C)C)CC1 4712230 CVMFNKFDWLZKRI-UHFFFAOYSA-N 347.459 2.600 0 50 EFAA CN(Cc1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Br)cc21 4841905 RTWXVWBOZULKDS-INIZCTEOSA-N 347.212 2.678 0 50 EFAA CCN(CCOc1ccccc1F)C(=O)COc1ccccc1O 55401491 UCWSNJJWSYAGKO-UHFFFAOYSA-N 333.359 2.838 0 50 EFAA CCCc1nc(CN(CC)C(=O)[C@H]2CC(=O)c3ccccc32)no1 55167363 PGTGLXXTLLGABZ-AWEZNQCLSA-N 327.384 2.741 0 50 EFAA O=C(CSc1nnc(-c2ccccc2)[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 101760938 CQRMIQGIRMXUPL-UBHSHLNASA-N 328.441 2.869 0 50 EFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)COc1cccnc1 55371101 MOXZXOUCQMGROY-UHFFFAOYSA-N 340.358 2.648 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cc2ccncc2)cc1 104298803 RWUJKUKQJZJHGW-RNIPGJKVSA-N 330.387 2.984 0 50 EFAA CCCN1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 67675862 GMNYWDIEZMAXRV-SFHVURJKSA-N 340.427 2.784 0 50 EFAA C[C@]1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOC1 280587552 NKILCEWQIYEMNX-NSHDSACASA-N 328.192 2.590 0 50 EFAA Cc1noc(C)c1C(=O)NCC1CCN(Cc2cccc(O)c2)CC1 67850528 XXFQUKPIWPEWBL-UHFFFAOYSA-N 343.427 2.639 0 50 EFAA Cc1nc(C)n(CCCn2cc(-c3ccnc4ccccc34)nn2)n1 67803173 OBALJSUBCUCXFL-UHFFFAOYSA-N 333.399 2.792 0 50 EFAA CCCc1cc(N2CCN(Cc3[nH]c(CC)nc3C)CC2)nc(C)n1 65394252 JLRSDIUTJMJKRU-UHFFFAOYSA-N 342.491 2.654 0 50 EFAA CC[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C 65528427 CWPCKQSPKKFFNH-QGZVFWFLSA-N 326.444 2.766 0 50 EFAA CCNc1ncc(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cn1 67786729 CELUEHGXUBQNPB-UHFFFAOYSA-N 327.363 2.801 0 50 EFAA CCn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 280901280 GVLAUTIMFYOOKM-UKRRQHHQSA-N 337.420 2.657 0 50 EFAA COC(=O)[C@@H]1CCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2803400 RXVMZMULPWVZPQ-AAEUAGOBSA-N 334.416 2.603 0 50 EFAA O=C(NO[C@@H]1CCCCO1)N[C@@H](Cc1ccccc1)C(F)(F)F 121123380 DBIONQWWSJQFMP-QWHCGFSZSA-N 332.322 2.917 0 50 EFAA C[C@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@@H]1CCOC1 253425295 SBJVADJOPHLFEE-ZWNOBZJWSA-N 341.201 2.990 0 50 EFAA Cc1c(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cnn1C 253415668 ZQFRXSDEQIRQDV-QZTJIDSGSA-N 342.443 2.526 0 50 EFAA CCn1ccc(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)cc1=O 77554956 CYUNOWICHPTKDH-MRXNPFEDSA-N 339.439 2.528 0 50 EFAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)C1(Cn2cccn2)CC1 72123816 BNZGWOAFEOXLGJ-SFHVURJKSA-N 344.503 2.824 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCCC[C@H]2CCn2cccn2)o1 77322165 YDMULKFKMLXQHS-HNNXBMFYSA-N 330.432 2.623 0 50 EFAA COc1ccccc1C[C@@H]1CCCN1Cc1nnnn1C(C)(C)C 331512517 XYVSEDXLRPADNC-HNNXBMFYSA-N 329.448 2.644 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3cccs3)CC2)cn1 72408743 ZQFWKSYZHAMZGO-UHFFFAOYSA-N 346.408 2.590 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 77377971 XYQKVLVOUDMZQT-KRWDZBQOSA-N 340.423 2.950 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1ccc(O)c(F)c1 72477866 OTRNMBIXPJCWRT-UHFFFAOYSA-N 339.370 2.918 0 50 EFAA CCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)(O)O)c1 38190873 FWJRVGZWNDOOFH-OAHLLOKOSA-N 342.376 2.643 0 50 EFAA in-vitro CC(=O)NC[C@H]1CCCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 156384678 NRZRDAVNRJBSRL-QGZVFWFLSA-N 346.471 2.990 0 50 EFAA O[C@H](Cc1ccc2ccccc2c1)CN1CCC(c2nc[nH]n2)CC1 369141007 XUUZUEFYAHFDMC-LJQANCHMSA-N 336.439 2.741 0 50 EFAA O=S(=O)(c1cnc[nH]1)N1CCC[C@H]1[C@@H]1CCCc2ccccc21 370109616 FWKNNOMNSKEMBU-CVEARBPZSA-N 331.441 2.683 0 50 EFAA CN1C[C@@]2(CCCN(Cc3nc4c(s3)CCCC4)CC2)OC1=O 72146829 CSIFOBVYWAZILH-KRWDZBQOSA-N 335.473 2.829 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1CCC(=O)NC1 77407868 ZILWEWLHSUQUGJ-INIZCTEOSA-N 338.407 2.964 0 50 EFAA CCN(Cc1c(F)cccc1F)C(=O)[C@H]1CCCN1C(=O)C(C)C 337649778 ZXKVFRIYLVQGNI-MRXNPFEDSA-N 338.398 2.960 0 50 EFAA Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)cc(C(N)=O)c1 456158333 FLBYGHLVVRSEAO-UHFFFAOYSA-N 337.423 2.942 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78144900 CHQRUWWBBIAVAF-SFHVURJKSA-N 338.411 2.978 0 50 EFAA CSCc1cc(C(=O)NCc2nnc3n2CCCC3)ccc1F 174104098 BVFZHYPXASBADF-UHFFFAOYSA-N 334.420 2.547 0 50 EFAA CC(C)N1CC[C@@H](N(C)S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 452100582 DWHBEKYRCGXTRF-ZIAGYGMSSA-N 338.464 2.556 0 50 EFAA Cc1nccc(N2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)n1 286056218 LQNHMZFBMYEKAE-UHFFFAOYSA-N 347.422 2.604 0 50 EFAA c1ccc(-n2nnnc2N2CCC[C@H](c3nccn3CC3CC3)C2)cc1 82106960 JFCNXCQVVYAAEK-INIZCTEOSA-N 349.442 2.653 0 50 EFAA CCO[C@H]1CN(C(=O)c2cccc(-c3cccc(F)c3)c2)C[C@@H]1O 220241241 WCNBONKLPQLZSY-ROUUACIJSA-N 329.371 2.715 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1 426442957 NLXUBLCVVFCBNP-QGZVFWFLSA-N 337.423 2.703 0 50 EFAA CCOCCC(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 223295412 MNAXJMFOIFAWEP-UHFFFAOYSA-N 329.322 2.635 0 50 EFAA Cc1cc(C)n(CC2(CN[C@@H]3CCOC4(CCOCC4)C3)CC2)n1 82137025 VMBQTGKBRJPXQS-QGZVFWFLSA-N 333.476 2.598 0 50 EFAA Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)c(=O)n1 82167026 SWLZWKWICKOZRO-QGZVFWFLSA-N 339.439 2.575 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CC12CCCCC2 426401515 AIZYOGXSAAFWIR-INIZCTEOSA-N 334.464 2.549 0 50 EFAA COC(=O)CN(C(=O)c1cnc(-c2ccncc2)s1)C1CCCC1 177695403 PFSRBVOSVQRWRD-UHFFFAOYSA-N 345.424 2.763 0 50 EFAA O=C(c1cnc2ccccn2c1=O)N1CC=C(c2ccc(F)cc2)CC1 192525135 IPCNMYGQMUBYRE-UHFFFAOYSA-N 349.365 2.763 0 50 EFAA Cc1cncc(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 291063604 PTPFWQVFCSEQQX-AWEZNQCLSA-N 338.411 2.801 0 50 EFAA O=C(NCC1(CO)CCOCC1)Nc1nc(-c2ccccc2)cs1 178632360 ZXZYLACJWAYDAY-UHFFFAOYSA-N 347.440 2.721 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 178817489 RTGIVJMUKFXDKT-FXAWDEMLSA-N 345.406 2.720 0 50 EFAA CCN(CC)CCN1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91943695 WXKDOWYEGSVYAT-FQEVSTJZSA-N 335.536 2.975 0 50 EFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC2(C=Cc3ccccc32)CC1 91364489 DHJMRFSIZVNKND-SFHVURJKSA-N 336.439 2.614 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239308810 GZIYDTRUFINXAO-BIRIHMBJSA-N 325.286 2.842 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCc1nc2c(s1)CCCC2 95355481 HDBAAMROJYMRBB-CQSZACIVSA-N 335.517 2.945 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(C(=O)O)s1 97785665 ULHGXRLIDJYWQJ-UHFFFAOYSA-N 333.394 2.723 0 50 EFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccccc1C(=O)O)C2 95383516 DGAKYCCITUCXIC-DLBZAZTESA-N 342.439 2.774 0 50 EFAA O=C(O)Cn1nc(-c2ccncc2)nc1-c1ccc(Cl)cc1F 97819491 DCDATUPHKHDQSD-UHFFFAOYSA-N 332.722 2.884 0 50 EFAA Cn1cc(CCN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 91690896 AAGGEAOKJIAAQE-HXUWFJFHSA-N 344.503 2.610 0 50 EFAA O=C(NC1CCN(Cc2ccc(OCC(F)F)cc2)CC1)C1CC1 179911287 QVQNQVLZYJUQIF-UHFFFAOYSA-N 338.398 2.821 0 50 EFAA Cc1ccc2nc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)sc2c1 239173799 ORWAIBLRBPYKIS-NMVAGKLASA-N 328.393 2.741 0 50 EFAA Cc1ccc2c(c1)SCC(=O)N2Cc1noc([C@H]2CCCO2)n1 95357585 OWEPKGWDTCHNET-GFCCVEGCSA-N 331.397 2.868 0 50 EFAA CCOc1ccccc1C(=O)NCc1ncc(C(F)(F)F)cn1 296178677 UKKLMVKPTHNIKN-UHFFFAOYSA-N 325.290 2.824 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 299746669 YZJXTOFRBBDYKN-JTDSTZFVSA-N 331.412 2.786 0 50 EFAA CC1(CNC(=O)c2csc(Cc3ccccc3F)n2)CCNCC1 183355326 PDRGNEVMNHTJDG-UHFFFAOYSA-N 347.459 2.993 0 50 EFAA Cc1ccccc1-c1noc(CNC(=O)N2CCC(F)(F)CC2)n1 534658253 VCQCIJBHTFNXJI-UHFFFAOYSA-N 336.342 2.986 0 50 EFAA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(c1ccncc1F)C2 828595620 XUOCELDKYVBELE-IBGZPJMESA-N 338.386 2.909 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)NCc1noc(C(C)C)n1 822285028 IGQZTVCOFDOIOK-UHFFFAOYSA-N 329.809 2.633 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3C)C2)cc(O)n1 670434578 FIKUFFXEIMAQNK-HNNXBMFYSA-N 325.412 2.660 0 50 EFAA C[C@@]1(F)CCCN(C(=O)CCc2ccccc2N2CCOCC2)C1 1450122491 SCQILWVJNZHPHK-LJQANCHMSA-N 334.435 2.806 0 50 EFAA COc1nn(C)cc1C(=O)NCc1cccc(-c2csc(C)n2)c1 1454231535 JEMCUVWWFHCHEE-UHFFFAOYSA-N 342.424 2.791 0 50 EFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C)C1 952872126 KJMIBCRKZAOIIA-OAHLLOKOSA-N 341.473 2.892 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)NCc1noc(C2CCCC2)n1 952970614 BCGFDQRLXVCJJR-AATRIKPKSA-N 333.413 2.611 0 50 EFAA CN(C)c1ccc(CN[C@H]2CCCN(Cc3cccs3)C2)cn1 952979162 VALQTKFZXIOKKP-INIZCTEOSA-N 330.501 2.963 0 50 EFAA COC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1C(=O)OC 268206374 MYGBFZCJIUWPCD-TXEJJXNPSA-N 346.383 2.524 0 50 EFAA CNc1cc(N2CCC[C@H]2CNCc2ccc3[nH]ccc3c2)ncn1 408518927 KTTWKKZFNAYWID-INIZCTEOSA-N 336.443 2.758 0 50 EFAA O=C(c1ccc(N2CCCC2)nn1)N1Cc2ccc(Cl)cc2C1 408519974 BOMSYWDVKCDHCU-UHFFFAOYSA-N 328.803 2.886 0 50 EFAA O=C(CNC(=O)c1cccc([C@H]2CCOC2)c1)Nc1ccc(F)cc1 270465312 BGZZNGWJMJYFPA-HNNXBMFYSA-N 342.370 2.698 0 50 EFAA C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)C(=O)N1CCCCC1 169982674 NYYPMPZMQKUIOY-LBPRGKRZSA-N 347.415 2.716 0 50 EFAA CN(C)CCCNC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 170593196 SIRIUYUTLUBQRL-UHFFFAOYSA-N 346.406 2.764 0 50 EFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 170659982 GJJVXUOEGTXKDS-YEJXKQKISA-N 343.514 2.732 0 50 EFAA O=C(c1cncc(-n2ccnn2)c1)N1CCCCc2sccc21 669979663 ZIVUOYBZAAZDHD-UHFFFAOYSA-N 325.397 2.707 0 50 EFAA O=C(c1cnn(-c2ccc(Cl)cc2)c1)N(C[C@@H]1CCCN1)C1CC1 186510935 ZWXHKNJKFZHEJM-HNNXBMFYSA-N 344.846 2.882 0 50 EFAA C[C@H]1CCC[C@H]1CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 186651907 ITVGPBCKZZLREO-AAEUAGOBSA-N 336.461 2.542 0 50 EFAA CN(C)C(=O)COc1ccccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C 189235607 UJEXLBBPDBAHMQ-APWZRJJASA-N 348.487 2.694 0 50 EFAA COCC1(C2CC2)CN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 639703178 ZRQGHISUHJFYPM-UHFFFAOYSA-N 340.427 2.822 0 50 EFAA CCc1nsc(N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 190446037 OPDDLLXVSOQHST-GFCCVEGCSA-N 337.518 2.824 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c(C)n1 190629862 ZAVKRDHVJACCJJ-GOSISDBHSA-N 338.455 2.688 0 50 EFAA CCC1(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 190723194 RCYXKGZYNOPLJJ-KRWDZBQOSA-N 330.476 2.735 0 50 EFAA COc1ccccc1Cc1noc(Cc2cnn(-c3ccccc3)n2)n1 761329942 GQMWYWWVNFXLRF-UHFFFAOYSA-N 347.378 2.841 0 50 EFAA O=C(c1ccco1)N1CCCN(c2ncnc3sccc23)CC1 1506417482 KGCNBHSGGUGRFB-UHFFFAOYSA-N 328.397 2.637 0 50 EFAA CSc1cccc(CN(C)c2nccc(N3CCC[C@H](O)C3)n2)c1 1506400602 WOXXJHIEGMDOOY-HNNXBMFYSA-N 344.484 2.796 0 50 EFAA CC1=CC2(CCN(CCS(=O)(=O)c3ccccc3)CC2)OCC1 1704342873 FEYPIJDNKNDKKS-UHFFFAOYSA-N 335.469 2.662 0 50 EFAA CCc1ccc(CCCC(=O)N(CC(=O)O)Cc2cnc(C)[nH]2)cc1 1772701909 SLPPUAZILWPUSU-UHFFFAOYSA-N 343.427 2.717 0 50 EFAA CCc1cc(CNC(=O)c2cn(CCC3CCCCC3)nn2)on1 11997640 OGKWQUNOHMKNNQ-UHFFFAOYSA-N 331.420 2.729 0 50 EFAA O=C(N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)C1CCCCC1 12073452 GTKWQNIWCHLXFP-QGZVFWFLSA-N 332.419 2.666 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1 16985229 YZLTYAYGZYLUKO-UHFFFAOYSA-N 339.391 2.780 0 50 EFAA COc1ccc(F)c(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1 19742830 QAWPBASEYNSNAD-KRWDZBQOSA-N 338.467 2.749 0 50 EFAA Cc1noc(C)c1Cc1nc([C@@H]2CC(=O)N(C3CCCCC3)C2)no1 169762098 YVHWEIMAPXREEM-CYBMUJFWSA-N 344.415 2.914 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](c2ncc(Br)cn2)C1 203987239 IOAFGXJQWOPPRP-VIFPVBQESA-N 328.210 2.964 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 219924945 ROMXZOPOWQVTDR-GQIGUUNPSA-N 335.407 2.665 0 50 EFAA CCOC(=O)c1cccnc1N1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857681814 OMVMOASIQSQYAD-ZDUSSCGKSA-N 344.390 2.508 0 50 EFAA CN1CC2(CCN(c3nc4ccccc4s3)CC2)OCCC1=O 1857734197 NNMZCMMWXAJRPL-UHFFFAOYSA-N 331.441 2.514 0 50 EFAA COc1ccc([C@H](Nc2ncnc(N)c2Cl)c2nccn2C)cc1 302784387 LUCIRKLYLMHDOU-ZDUSSCGKSA-N 344.806 2.656 0 50 EFAA COc1ccc(Cl)c(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 225631024 REECWUATWXOGKX-UAGQMJEPSA-N 325.836 2.710 0 50 EFAA CC(C)(C)[C@@H]1CN(C(=O)Nc2cccnc2N2CCCC2)CCO1 332069047 UQGLCGFGSZGFTD-HNNXBMFYSA-N 332.448 2.961 0 50 EFAA CCCc1[nH]ccc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643907012 ZELWUZJBIZWOGM-MRXNPFEDSA-N 327.432 2.801 0 50 EFAA Cc1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)on1 252485380 GSUXMBHKHJSHPS-JTQLQIEISA-N 341.136 2.748 0 50 EFAA COC[C@@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)C 154052486 FGOIXSHPGXCJOI-MRXNPFEDSA-N 335.444 2.724 0 50 EFAA NC[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1 374456711 OZTIQEFXUCBLSR-MJGOQNOKSA-N 346.434 2.891 0 50 EFAA Cc1coc(C)c1C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1 843983999 MISPWXRNGBRKBB-GFCCVEGCSA-N 327.384 2.917 0 50 EFAA CCN1C[C@H](c2nc(-c3cc(NC)nc4ccccc34)no2)CC1=O 952992808 CIAPAJRLSMIBOX-LLVKDONJSA-N 337.383 2.662 0 50 EFAA Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CCCC2(CC1)OCCO2 1875275684 UWVHULMFGCEBDV-MSOLQXFVSA-N 349.471 2.709 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccncc2OC)cc1 1875373486 CJCLKOZEAAMCFX-CYBMUJFWSA-N 339.395 2.730 0 50 EFAA Fc1cc2c(cc1Br)CCN(c1ccnc3ncnn13)C2 1875341259 MUTLCGISHDMOCU-UHFFFAOYSA-N 348.179 2.589 0 50 EFAA CCN1C(=O)C[C@@H](CNc2nc(C)nc(C)c2C)[C@@H]1c1cccnc1 886048174 IFLCCXLCLIQFBA-WMZOPIPTSA-N 339.443 2.818 0 50 EFAA CS(C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1 891013645 BEJRLBZEEGMEFL-DZQJYWQESA-N 346.452 2.785 0 50 EFAA C[C@@H](NC(=O)NCc1cn(C)cn1)c1ccc(Br)cc1 891529004 SFHNONXUVYUMGT-SNVBAGLBSA-N 337.221 2.743 0 50 EFAA Cc1cn2cccc(C(=O)NCc3ccc(F)c(CN(C)C)c3)c2n1 2325820701 KHKMPOIBFGYHMP-UHFFFAOYSA-N 340.402 2.773 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)cc1 864098562 NIHDTBFDRQYLRE-SJORKVTESA-N 325.364 2.779 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cncc3nc[nH]c23)N2CCCC2)cc1 895983761 ZDSJXZCMTCNDDL-SFHVURJKSA-N 349.438 2.833 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 248493054 JSBVGCACNVGVOF-OIFKANJSSA-N 349.374 2.619 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 133298 WHGDDQGSQJYTFA-UHFFFAOYSA-N 328.755 2.883 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 309484 HMCUYRMRADRZNG-UHFFFAOYSA-N 328.393 2.908 0 50 EFAA O=C(Cc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 482217 TUEDHEIOEREPEA-SFHVURJKSA-N 338.407 2.777 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 4839634 TZKASSZWEWQRHP-OAHLLOKOSA-N 342.370 2.987 0 50 EFAA Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCCC4)c3c2c1 4961693 KWBSPCAVIMQHQY-UHFFFAOYSA-N 339.395 2.854 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N1CCC[C@@]2(CCNC2)C1 418054773 AMHBXOSOGRCMKR-KRWDZBQOSA-N 337.851 2.634 0 50 EFAA CCn1cnnc1[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 246148165 SSHZXZABVDIWLU-ZIAGYGMSSA-N 346.431 2.927 0 50 EFAA CC[C@@]1(C(=O)NCc2cccc(COC3CCOCC3)c2)CCCN1 134491299 NZIBVZAZWRLNRS-FQEVSTJZSA-N 346.471 2.531 0 50 EFAA Cc1ccc(NCc2ccc(C(=O)N3CCN(C)C(=O)C3)cc2)cc1 65394659 QMZOXIUCGYYVOM-UHFFFAOYSA-N 337.423 2.521 0 50 EFAA CC(=O)NCCCC(=O)NCc1cccnc1Oc1ccccc1F 67446899 PQKHRTSFDFHCEL-UHFFFAOYSA-N 345.374 2.546 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CCO1 248537380 HGNPGSROEOOWCM-HSALFYBXSA-N 344.499 2.872 0 50 EFAA CN1CC[C@H](NC(=O)c2nn[nH]c2-c2ccccc2)[C@H]1c1ccccc1 248664821 KPBZJZKYKGPRLJ-QFBILLFUSA-N 347.422 2.647 0 50 EFAA C[C@]1(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCO1 176047461 FQXUKZUIKDUBDH-MVHVFESUSA-N 343.471 2.596 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCN2Cc2ncccc2C(=O)O)s1 65490038 XWKPFCADUJDFTN-ZDUSSCGKSA-N 345.424 2.538 0 50 EFAA O=C(NCc1ccccn1)Nc1ccnn1Cc1ccc(F)cc1 119629210 WQMQPXSFVUKJAV-UHFFFAOYSA-N 325.347 2.787 0 50 EFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](N3CCCC3)C2)c1C 229750592 HVJURTDAYUUKPG-UXHICEINSA-N 346.515 2.912 0 50 EFAA CCOc1ccc(OCC(=O)N2CCC(Cc3ncc[nH]3)CC2)cc1 353122690 WCOMCWOQNQWLMI-UHFFFAOYSA-N 343.427 2.669 0 50 EFAA CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@H]1Cn1nc(C)nc1C 253375015 OFKXNOKYJDYELV-OLMNPRSZSA-N 347.507 2.539 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@H](CO)C2)sc1-c1ccccc1 77342519 LNMORGRELHMWLP-AWEZNQCLSA-N 331.437 2.804 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NCCOc3nonc3C)c2c1 77406239 LEWULDLLXANHNG-UHFFFAOYSA-N 340.383 2.606 0 50 EFAA C[C@@H](C(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F)n1cncn1 331556280 OZVUWGYHVSTTPC-WFASDCNBSA-N 338.333 2.919 0 50 EFAA CC[C@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCO1 123515426 VRQLQLJIFAMMOD-RDJZCZTQSA-N 346.406 2.768 0 50 EFAA Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1noc(C2CC2)n1 257366468 ZSJWSEONMNALEJ-HOTGVXAUSA-N 343.427 2.832 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77457256 PUKSWMHVMYJHNL-LJQANCHMSA-N 329.444 2.578 0 50 EFAA O=C(CN1CCN(c2ccccc2F)CC1)NCCC1=CCCCC1 13323524 YSDMLAMKDSFCFL-UHFFFAOYSA-N 345.462 2.954 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 237667471 KNBBPGXKVKSHFK-OAHLLOKOSA-N 335.381 2.716 0 50 EFAA COCc1cc(N(C)Cc2ccc3nsnc3c2)n2nccc2n1 72435829 LPLHCHSHZXRDNP-UHFFFAOYSA-N 340.412 2.517 0 50 EFAA Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)Cn3cncn3)n2n1 72475145 BMHXVUNIVNYWIK-AWEZNQCLSA-N 333.399 2.797 0 50 EFAA CN(C(=O)c1cccc(C(=O)N2CCC[C@@H](N)C2)c1)c1ccccc1 158133800 KXCXUIVNHPFOBS-QGZVFWFLSA-N 337.423 2.527 0 50 EFAA Cc1scc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)c1C 262884935 BYOBBXSUFILOAG-OAHLLOKOSA-N 331.393 2.856 0 50 EFAA COc1ncccc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 172815287 RMTOMFGEACNJQW-QGZVFWFLSA-N 339.395 2.783 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 378107289 FMNPYLYQOPABTR-CYBMUJFWSA-N 328.372 2.723 0 50 EFAA C[C@H]1C[C@H](C(=O)O)CN(c2cc(N3CCc4ccccc43)ncn2)C1 263250714 SUGQWXUWUKWUCV-ZFWWWQNUSA-N 338.411 2.718 0 50 EFAA CC(C)OC(=O)c1cccnc1N1CCN(c2ccccc2)CC1 20389111 RDWNZOBYASNADY-UHFFFAOYSA-N 325.412 2.973 0 50 EFAA CCn1c(SCC(N)=O)nnc1-c1csc2c1CC[C@@H](C)C2 17070777 PAXDWHDRROHDCI-SECBINFHSA-N 336.486 2.729 0 50 EFAA O=C(O)C1(Oc2cccc(F)c2)CCN(Cc2ccncc2)CC1 82136731 UQPNJSJNRKWYRT-UHFFFAOYSA-N 330.359 2.719 0 50 EFAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 263332530 LVANPXOWCCHHFN-VHSXEESVSA-N 349.337 2.538 0 50 EFAA CN(C(=O)C1CCC(F)(F)CC1)[C@@H](Cc1ccccc1)C(=O)O 263448758 NSOVEIRQGOIOSP-AWEZNQCLSA-N 325.355 2.966 0 50 EFAA CC(=O)N1CC(c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 290107039 FCWQIEYCCSITEO-UHFFFAOYSA-N 325.290 2.625 0 50 EFAA O=C(CCc1ccccn1)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 223684705 VGIMVOZXAVUJKR-MSOLQXFVSA-N 344.386 2.506 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 82106893 APPQMFLJGMFMEY-UHFFFAOYSA-N 327.432 2.520 0 50 EFAA CCN1CCC[C@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 82127656 JZBBNJNZLDZCPF-INIZCTEOSA-N 342.487 2.617 0 50 EFAA CN1Cc2ccc(CN(C)C(=O)CC[C@@H]3CCCN(C)C3)cc2C1 95360882 XXHIWFOVMQXBBZ-INIZCTEOSA-N 329.488 2.712 0 50 EFAA CCn1nc(C)c(CC(=O)N2Cc3ccccc3N(C)C[C@H]2C)c1C 292196352 AIXAYTWAGDKKMG-CQSZACIVSA-N 340.471 2.929 0 50 EFAA O=C(NC[C@@H](CO)Cc1cccs1)Nc1ccc2c(c1)CCC2=O 96139620 RFRNDXNFSNREPH-LBPRGKRZSA-N 344.436 2.850 0 50 EFAA O=C(CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1nccs1 179764692 NQOSMYULKDTIOC-MRXNPFEDSA-N 345.424 2.594 0 50 EFAA Cc1ccc([C@@H](C)CCN2CCN(c3ncnc4[nH]cnc34)CC2)o1 97551384 PRRCXNQXEWKMBT-ZDUSSCGKSA-N 340.431 2.570 0 50 EFAA CCCCSc1nc(N)cc(NCc2cn3c(n2)SCC3)n1 95371403 PNWXTFFGTLFECA-UHFFFAOYSA-N 336.490 2.865 0 50 EFAA c1cc2c(cc1-n1nc(C3CCOCC3)nc1CC1CC1)OCO2 97805634 KJTUMAWFJWBIKJ-UHFFFAOYSA-N 327.384 2.843 0 50 EFAA CC[C@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CCN1C(C)C 91325284 FOLHCVCLMVLCAV-LBPRGKRZSA-N 326.387 2.918 0 50 EFAA COCCn1ccnc1C1CCN(c2cnc3ccccc3n2)CC1 92080920 UJIUKIALPVYJNE-UHFFFAOYSA-N 337.427 2.857 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cccnc2)C3)c1 96151010 DBFYBWPMSSWQJH-UHFFFAOYSA-N 334.379 2.679 0 50 EFAA COCCn1cncc1CN1CCC(OCc2ccccc2)CC1 244774195 PPLSFHSKIHTOSD-UHFFFAOYSA-N 329.444 2.711 0 50 EFAA CC(C)Cc1noc(CN(C)Cc2cc(-c3ccncc3)no2)n1 244716192 LKHJAHCEGMFRDI-UHFFFAOYSA-N 327.388 2.950 0 50 EFAA CC1(C)CN(C(=O)c2ccsn2)C[C@H](COc2ccccc2)O1 296946363 GZJZLRGJBAFLJN-CQSZACIVSA-N 332.425 2.842 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@H]3CCCO3)C2)cc1 298327408 VEAQWUNPFIVDHS-BPQIPLTHSA-N 344.455 2.531 0 50 EFAA O=C(NCCCN1CCCCC1)c1cccc(Cn2ccnc2)c1 298522341 URLMGEMPPMAMNK-UHFFFAOYSA-N 326.444 2.537 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(Cc2nc(-c3cccnc3)no2)C1 252483580 FFLZWMIBRPKOOQ-LJQANCHMSA-N 336.395 2.534 0 50 EFAA CCC(=O)NCCc1nnc(SCc2cccc(Cl)c2)n1C 299781029 CXJSDSIDNSZTLR-UHFFFAOYSA-N 338.864 2.830 0 50 EFAA O=C(CCN1CCCC1=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 299782463 JGYNTIYUXSGLLY-RDJZCZTQSA-N 332.419 2.666 0 50 EFAA COCCN1C(=O)CC[C@@H]1CCNCc1ccc2ccccc2c1 299789577 XLHIKANZJIMYJQ-LJQANCHMSA-N 326.440 2.957 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCc2nncn2CCc2ccccc2)n1 821508408 QSFAIDBNPKYIMB-INIZCTEOSA-N 338.459 2.512 0 50 EFAA O=C(c1ccccc1N1CCOCC1)N(CC1CC1)C[C@H]1CCCO1 828182287 KEMDFHJKCKSMHU-QGZVFWFLSA-N 344.455 2.554 0 50 EFAA CCC(=O)N1CCC(C(=O)N[C@@H](C)COc2c(C)cccc2C)CC1 822529329 DRAKYGMRBJOKOM-INIZCTEOSA-N 346.471 2.836 0 50 EFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1ncc(C=O)cn1 1334438602 BUESYZUOSXEIQM-GFCCVEGCSA-N 332.354 2.673 0 50 EFAA C[C@H](NC(=O)N(C)Cc1ccn(C)n1)c1nccn1-c1ccccc1 1340906910 FVCYBPUCXBQZNA-AWEZNQCLSA-N 338.415 2.508 0 50 EFAA COC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C)nc3onc(C)c23)CC1 952964257 WVUVMCZQHKPPCS-JOCQHMNTSA-N 345.399 2.549 0 50 EFAA CCn1ccc(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1=O 952962332 APMIOVAEKKIOMJ-UHFFFAOYSA-N 327.359 2.761 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)NCc1cnc(C2CC2)o1 408520827 ZMICORHMIROSBP-UHFFFAOYSA-N 340.408 2.929 0 50 EFAA O=C(NCC(F)F)[C@@H]1CCCCN1c1ccnc(-c2ccccc2)n1 408519659 NEHFFOGVBCGLIR-AWEZNQCLSA-N 346.381 2.884 0 50 EFAA Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccncc1Br 272696320 RUVOJYVNKIEEFU-MRVPVSSYSA-N 338.209 2.769 0 50 EFAA COc1cc(OC)cc([C@H](O)CNc2nc(CC(C)C)ns2)c1 185443940 DETZBVKJBUIOJM-CQSZACIVSA-N 337.445 2.899 0 50 EFAA CC(=O)N1CCCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 170620637 KYJQPWOBZMJBGH-UHFFFAOYSA-N 344.459 2.763 0 50 EFAA O=C(Nc1ccccc1Cl)N1CC[C@@H](c2cc(O)nc(O)n2)C1 631535592 PRTWULMNVPXANN-SECBINFHSA-N 334.763 2.563 0 50 EFAA CCc1ccc(S(=O)(=O)Nc2c(O)cccc2F)cc1C(=O)O 676722921 QJMGEALTIYCTKK-UHFFFAOYSA-N 339.344 2.593 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N[C@@H]2CCCOc3ccccc32)c1 682612866 WGFNMQQFWJDXCJ-QGZVFWFLSA-N 346.452 2.945 0 50 EFAA Cn1cnc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 191270783 BIGYSPHKGQQHKD-LLVKDONJSA-N 339.226 2.736 0 50 EFAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCCOc1cccc2ccccc12 194307983 BEOLPBGVHSNQSG-AUUYWEPGSA-N 340.423 2.640 0 50 EFAA COc1cccc(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)c1C 659147513 BUWJBQPDILCXOQ-LJQANCHMSA-N 327.380 2.776 0 50 EFAA CC(C)(C)n1nnc(CN2CCC3(C=Cc4ccccc4O3)CC2)n1 662216664 UXBRUTBSIRICOI-UHFFFAOYSA-N 339.443 2.869 0 50 EFAA CC(C)C(CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)C(C)C 793584924 RZWMZHQYJFOZSP-GOSISDBHSA-N 337.552 2.933 0 50 EFAA COC1(OC)CCOC[C@@H]1CCNCc1c[nH]nc1-c1ccccc1 1658016939 FWWDEOBWPPTRFB-KRWDZBQOSA-N 345.443 2.582 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 208456118 TXCXJXPKZNCLJE-RDJZCZTQSA-N 332.444 2.635 0 50 EFAA CCCSCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 222450735 FSGGJKZZWGRZLV-KGLIPLIRSA-N 325.405 2.596 0 50 EFAA Cc1nc(CCCNc2nccc(N3CCC[C@H](O)C3)n2)sc1C 1704297462 SUXXEHLRUYUNOW-AWEZNQCLSA-N 347.488 2.556 0 50 EFAA CCc1cc(NCCCn2nc(C)nc2C)nc(N2CCCCC2)n1 1704311597 NFLOOLZOGZMQFF-UHFFFAOYSA-N 343.479 2.740 0 50 EFAA C[C@H](C[S@](C)=O)Nc1ccnc2cc(Br)cnc12 119181280 WZRSFRKKEVTMOO-NTCNTBNZSA-N 328.235 2.571 0 50 EFAA CC[C@H](C(=O)N1CCCN(C(=O)c2ccsc2)CC1)n1cccc1 1772709399 GXUZEKPWEFDMGC-MRXNPFEDSA-N 345.468 2.875 0 50 EFAA Cc1nnc2sc(-c3ccccc3NC(=O)c3cccnc3)nn12 5008244 NCJYKLNYLYNUNC-UHFFFAOYSA-N 336.380 2.809 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@H](CCc2ccccc2F)C1 11879535 TWCMXPRHZCJSEU-OAHLLOKOSA-N 330.407 2.679 0 50 EFAA C[C@H](C1CCC1)N1CCC(=O)N(CCOc2ccc(F)cc2)CC1 12150508 DEDHXWOKTVHWJA-OAHLLOKOSA-N 334.435 2.927 0 50 EFAA CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1 12379744 CIXLZFWDEIGUDB-UHFFFAOYSA-N 345.443 2.868 0 50 EFAA CO[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 15000838 GDJZRLZEPOAGFU-HOTGVXAUSA-N 336.819 2.665 0 50 EFAA O=C(CCC1CCN(Cc2ccoc2)CC1)NCc1cccnc1 15073318 DVECAAMCMCKWRX-UHFFFAOYSA-N 327.428 2.983 0 50 EFAA O=C(NC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccc1 19791790 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EFAA O=C(NCC1(O)CCC(F)(F)CC1)[C@]1(c2ccccc2)CCCO1 826018921 RYONWLMJEZVLKA-GOSISDBHSA-N 339.382 2.749 0 50 EFAA Cn1cc(NC(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)c(C2CC2)n1 931506910 HCCSCQVVAWETQG-RHDGDCLCSA-N 340.427 2.512 0 50 EFAA Cn1cc(N2CCC[C@H](NC(=O)c3ccccc3C3(C)CC3)C2)cn1 933487426 SHSRDZSPTUZGHH-HNNXBMFYSA-N 338.455 2.870 0 50 EFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnc(F)cn1 952994868 WJBUTYZKBNWGRK-SECBINFHSA-N 329.301 2.530 0 50 EFAA Cc1ccc2nc(CN=c3cc(-c4ccccn4)nc(C)[nH]3)cn2c1 1875255398 UZSWKKXBOYZDHJ-UHFFFAOYSA-N 330.395 2.837 0 50 EFAA Cc1cc([C@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)on1 1875300976 YMWDENAYCKRUOC-HNNXBMFYSA-N 328.416 2.966 0 50 EFAA O=C1CCN(C(=O)[C@H](c2ccncc2)C2CCCC2)CCCCCN1 889434703 XDGIXVOCKRPBST-IBGZPJMESA-N 343.471 2.874 0 50 EFAA NS(=O)(=O)c1ccsc1CNc1ccc([C@H]2CCOC2)cc1 1775989852 BTDZECOISZSCCH-LBPRGKRZSA-N 338.454 2.512 0 50 EFAA Cc1nnc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)s1 404803348 LKKIGIGAOVNQJI-MNOVXSKESA-N 326.466 2.628 0 50 EFAA Cn1nc(C(=O)N2CC3(COc4ccccc4C3)C2)c2ccccc21 2100482544 HDPVLXPXRZLMKO-UHFFFAOYSA-N 333.391 2.651 0 50 EFAA FC(F)(F)C1(Cn2cc(CCn3cncn3)nn2)CCCCC1 2325777272 QSQQSTJOJRQUHV-UHFFFAOYSA-N 328.342 2.625 0 50 EFAA C[C@@H](NCc1oc(-c2ccccc2)nc1C(=O)O)[C@H]1CCCOC1 2325803445 HQTQTAOIQDLWHP-OCCSQVGLSA-N 330.384 2.945 0 50 EFAA Cc1oc(C2CNC2)nc1C(=O)NC[C@@H](C)c1cccc(Cl)c1 2325813200 XEHLLABVHRAAEQ-SNVBAGLBSA-N 333.819 2.857 0 50 EFAA Cc1ccccc1OCC(=O)N[C@@]1(C(=O)O)CCc2ccccc2C1 2325851820 KSBOZCMEVMDBLB-FQEVSTJZSA-N 339.391 2.502 0 50 EFAA CCn1nnnc1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 131845238 SFXADHRRPWCZMI-UHFFFAOYSA-N 329.310 2.891 0 50 EFAA COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)O)cc1 151197 LDWKDLOTHUWDOO-UHFFFAOYSA-N 326.304 2.932 0 50 EFAA O=C(NCc1ccccn1)c1cccc(I)c1 318628 RAOHURGALQOULI-UHFFFAOYSA-N 338.148 2.616 0 50 EFAA COc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 540551 NGFWQKXBUBFPSB-UHFFFAOYSA-N 325.320 2.819 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 613475 ASGXUXZDHAANKV-UHFFFAOYSA-N 344.436 2.785 0 50 EFAA COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc3c(c2)OCO3)cc1OC 2144010 FWQVZPHZWBGRQU-QZTJIDSGSA-N 328.320 2.755 0 50 EFAA Cc1ccc(N([C@@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1C 2880220 LNOAAHYVBFGQSN-HNNXBMFYSA-N 340.489 2.620 0 50 EFAA O=C(CSc1nc(Cc2ccccc2)n[nH]1)NC1CCCCC1 2881876 CBTZTDMAEVXSAM-UHFFFAOYSA-N 330.457 2.937 0 50 EFAA CCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 2959016 ZAAUPHOCRMQYTP-UHFFFAOYSA-N 328.368 2.980 0 50 EFAA CC(=O)Oc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 4841915 RYGWSCXMHYLPDU-UHFFFAOYSA-N 342.370 2.713 0 50 EFAA Fc1ccccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 6896539 HRLRFCNVUHGEJB-UHFFFAOYSA-N 328.387 2.919 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)cc1C(=O)OC(C)C 341895473 GNDQMPPGLOQYCV-JKSUJKDBSA-N 337.441 2.637 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225683000 SEYXEXNEEOARGH-GUYCJALGSA-N 325.343 2.650 0 50 EFAA COc1ccc([C@H]2[C@H](CNC(=O)C3=COCCC3)CCCN2C)cc1 115145224 IKMDKRSFKXQZJF-LPHOPBHVSA-N 344.455 2.889 0 50 EFAA 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Cc1coc2ccc(NC(=O)NCC3(S(C)(=O)=O)CCC3)cc12 281053914 OYSRJVQMCQZZGH-UHFFFAOYSA-N 336.413 2.830 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2cn(CCCc3ccccc3)nn2)CCO1 11767508 VMOIHHWPXULRAU-INIZCTEOSA-N 342.443 2.598 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)c1ccccc1 362427714 FEEIUPOYSFNICJ-BMGDILEWSA-N 342.443 2.779 0 50 EFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C2CC2)nn1 329949831 LQJBCZGMACMLND-LLVKDONJSA-N 328.338 3.549 0 50 EFAA Cc1cnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1 328626632 FHRZFIQXDIBQEQ-LLVKDONJSA-N 328.338 2.893 0 50 EFAA Cc1cncc(NC(=O)C(=O)N(Cc2ccccc2)CC(F)F)c1 122928350 JTVAZPWPNJPQAS-UHFFFAOYSA-N 333.338 2.622 0 50 EFAA CCOC(=O)c1cn2cc(Br)nc(N[C@H](C)CC)c2n1 34247732 MIUKXQLUAYGHTD-MRVPVSSYSA-N 341.209 2.879 0 50 EFAA Cc1nc(C(F)(F)F)c(Cn2cnc3snc(C)c3c2=O)s1 329253490 WEUDRUTZYFTEGM-UHFFFAOYSA-N 346.359 2.993 0 50 EFAA CCCOc1ccc(NC(=O)N[C@H]2CCc3nc(C)nn3C2)cc1 125672487 FPHCDDXBYQKXSJ-AWEZNQCLSA-N 329.404 2.512 0 50 EFAA C[C@H](NCC(=O)N1CCC[C@H]1c1ccsc1)[C@H](C)n1cccn1 252670285 KBSRKFVFIMNVKD-DZKIICNBSA-N 332.473 2.847 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3ccccc3[C@@H]2CO)n1 332107441 DQIBZYOBUPTWQV-YJBOKZPZSA-N 327.428 2.569 0 50 EFAA COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](C)C2)c2ccccc12 332320081 JJBKFALCLWCFNL-CHWSQXEVSA-N 335.425 2.694 0 50 EFAA Cc1cc(N(C)C)nc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)n1 282527965 BRJHMPBABRIGRT-ZDUSSCGKSA-N 343.435 2.560 0 50 EFAA O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCc1cccc(CO)c1 492109493 IXAJFTOPVSCZNS-RMKNXTFCSA-N 333.391 2.694 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ncc(C(C)(C)C)o2)C1 284918308 SYTANTWYSNDSKY-OLZOCXBDSA-N 345.447 2.930 0 50 EFAA CN(C)C/C=C/C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 374747219 DETPUUICOFBBJO-SBJJXXPASA-N 342.361 2.723 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cn1 237977015 QVJBABAAIOJFKI-OAHLLOKOSA-N 328.343 2.766 0 50 EFAA CC[C@H]1CN(C(=O)c2ccc[nH]2)CCC(=O)N1Cc1ccccc1 71753895 NZYSNDNOTJXBNJ-INIZCTEOSA-N 325.412 2.668 0 50 EFAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)N[C@H](C)c2ccc(F)cc2F)C1 263101487 AZPLIXOMVFSKLF-HBNTYKKESA-N 326.343 2.778 0 50 EFAA Cc1ccc2[nH]cc(CCC(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)c2c1 174025753 PCDWINRAZQRLJK-DZGCQCFKSA-N 327.428 2.521 0 50 EFAA CO[C@H](CNC(=O)N1CCOCC(F)(F)C1)c1ccc(Cl)cc1 291024194 MWUWFUSJBDYDJD-CYBMUJFWSA-N 348.777 2.705 0 50 EFAA Cc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 82125829 LXPYJAFBLCZAHI-MRXNPFEDSA-N 345.468 2.987 0 50 EFAA CCn1cnnc1CCNC(=O)Nc1ccc(OC(F)F)cc1C 426723843 HSLDELSQJBAJGQ-UHFFFAOYSA-N 339.346 2.572 0 50 EFAA Cc1ccc(C(=O)N2CCC(NC(=O)CCc3ccoc3)CC2)cc1 177641968 UPXBZMKPMWMAGM-UHFFFAOYSA-N 340.423 2.942 0 50 EFAA Nc1cnc(-c2ccc(C(=O)NC3(CO)CCCCCC3)cc2)cn1 426523704 RKJLLALNTIFGBJ-UHFFFAOYSA-N 340.427 2.541 0 50 EFAA Cc1csc(CNC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)n1 426395952 MKZHTBDDOGFZCT-OAHLLOKOSA-N 346.456 2.737 0 50 EFAA NC[C@@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82127863 JIJNTSWZQNHTDK-KRWDZBQOSA-N 334.423 2.955 0 50 EFAA CC(=O)N1CCCN(C(=O)NCC(C)(C)c2ccc(C)cc2C)CC1 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O=S(=O)(CC1CC1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 269767829 NTCAWPOYZLOWJF-KBPBESRZSA-N 349.374 2.553 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H](CO)c2ccc(Br)cc2)o1 271269822 CYKMGZQRMXJXMS-GFCCVEGCSA-N 339.189 2.517 0 50 EFAA COc1ccc2c(c1)C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)CC2 275521309 LETKUTCKLISVSA-XAUMDUMWSA-N 341.455 2.653 0 50 EFAA Cc1cc(NC(=O)CCN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)no1 276099218 WGZQSAZPOSDQHA-OAHLLOKOSA-N 343.431 2.751 0 50 EFAA O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)Cc1ccoc1 170598928 AEIUFRHMGIQMTA-CQSZACIVSA-N 334.372 2.501 0 50 EFAA Cn1ccnc(NCCc2cc(Cl)ccc2Br)c1=O 170681498 ZBHUHQBGWJVSSR-UHFFFAOYSA-N 342.624 2.851 0 50 EFAA O=C(COc1ccc(F)cc1F)Nc1ccccc1-n1cnnc1 170607576 KBXSEOLIAIOLRF-UHFFFAOYSA-N 330.294 2.563 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCN(c2ccc(O)cc2)CC1 170604407 QXZPLTLDACEWEI-UHFFFAOYSA-N 346.452 2.512 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)C2)cn1 170649308 JCOKIYDGEIPCLV-BMGDILEWSA-N 330.476 2.963 0 50 EFAA 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CNc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)C2CCC2)CC1 1529105547 FZWVAVXKLFJRRH-UHFFFAOYSA-N 349.862 2.856 0 50 EFAA CSCC[C@H](NC(C)=O)C(=O)Nc1c(C)cnn1C1CCCC1 1529119367 FSZDNNKWMNCFQZ-AWEZNQCLSA-N 338.477 2.503 0 50 EFAA CCNC(=O)c1ccc(N[C@@H](CCN(C)C)c2ccccc2)nc1 1704313638 KUTPOFYRIJZWDW-KRWDZBQOSA-N 326.444 2.936 0 50 EFAA Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc3c(cc12)CCC3 1772711152 XAGQCSBNDWZZHL-DYESRHJHSA-N 338.451 2.867 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H]3CCCN3C(=O)[C@H]2C)c1 1772703599 OPAGWVMQAMBKLL-WBVHZDCISA-N 338.455 2.889 0 50 EFAA Cc1ccc(CNC(=S)N2CCN(Cc3ccco3)CC2)cc1 5041669 OYVXWVYADOANJJ-UHFFFAOYSA-N 329.469 2.780 0 50 EFAA CC(C)C(=O)Nc1cc(I)ccc1C(=O)O 5632742 IXDQFEBJCWXSTI-UHFFFAOYSA-N 333.125 2.584 0 50 EFAA CN(Cc1cccnc1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12203640 GNULGOXXRANQAP-GOSISDBHSA-N 343.471 2.859 0 50 EFAA OCC1CCN(c2ncc3c(n2)CCC[C@H]3NC2CCCC2)CC1 12438754 ZOUKAUZMIBWDDG-QGZVFWFLSA-N 330.476 2.595 0 50 EFAA Cc1ccccc1-n1cc(CN[C@H]2CCCN(c3ncccn3)C2)cn1 12594179 BGLQEDPAFGZRAV-SFHVURJKSA-N 348.454 2.729 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(c3cc(C(F)(F)F)ncn3)CC2)O1 1857736598 NUULBOBKJNLESS-NEPJUHHUSA-N 345.365 2.784 0 50 EFAA CCSc1ccc(Br)c(C(=O)NCc2nnc[nH]2)c1 225569292 WQUJGMBMHJEXTO-UHFFFAOYSA-N 341.234 2.609 0 50 EFAA Cc1cscc1CNC(=O)NC1CCN(c2nccs2)CC1 225584812 UQCJWDVUGAYAIB-UHFFFAOYSA-N 336.486 2.981 0 50 EFAA CC(=O)N[C@@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 421638699 JTZYKIXKJNBVIO-QGZVFWFLSA-N 343.814 2.753 0 50 EFAA O=C(CCc1ccccc1Br)NC1(C(=O)O)CCC1 238080719 WCILVSRVUCALHI-UHFFFAOYSA-N 326.190 2.505 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N3CCCO[C@H](C(C)C)C3)cc12 652303807 WUBLQSMSBOLPCK-HNNXBMFYSA-N 331.420 2.556 0 50 EFAA Cc1csc(N2CCC(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)n1 253370174 NGXXIEKAGZTNRK-BZUAXINKSA-N 333.501 2.968 0 50 EFAA O=C(c1ccc2nccn2c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367640242 YKVILZCFOULELP-MSOLQXFVSA-N 335.407 2.573 0 50 EFAA CC(C)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1 159345894 BAGLRMROVNYLJC-INIZCTEOSA-N 345.468 2.762 0 50 EFAA COCC[C@@H]1CCCCN(C(=O)NCc2ccc(C(=O)O)cc2)C1 263483954 OSYWHQJZBFMMET-HNNXBMFYSA-N 334.416 2.733 0 50 EFAA C[C@@]1(CNC(=O)c2nnc(-c3ccns3)o2)CCOC2(CCC2)C1 902967722 NECLIVDFKZDGKB-OAHLLOKOSA-N 348.428 2.662 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1 864098858 WALRDTSEJHFGGL-MSOLQXFVSA-N 339.391 2.791 0 50 EFAA Cc1nc(-c2cccc(N[C@H](C)CS(=O)(=O)N(C)C)c2)cs1 1875285507 PHHIRGWWFRUPBT-LLVKDONJSA-N 339.486 2.810 0 50 EFAA CC(F)(F)c1cccc(CN2CC[C@@H](n3cc(C(=O)O)nn3)C2)c1 1875283170 IHHPJHJHBCVKSM-CYBMUJFWSA-N 336.342 2.535 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2cnc(C)nc2C)cn1 886093393 ILWQMYDGQFZGTE-XLWVJDPXSA-N 329.448 2.738 0 50 EFAA O=C(NCc1cn2ccccc2n1)N[C@H]1CCOC12CCCCC2 891561217 KFPWEASFSCAIDM-HNNXBMFYSA-N 328.416 2.625 0 50 EFAA CCc1nc2ccccc2n1Cc1noc([C@H]2CNC(C)(C)C2)n1 2325805969 JEZBREWVBYJHAU-GFCCVEGCSA-N 325.416 2.886 0 50 EFAA O=C(Cc1cc(C(F)(F)F)co1)Nc1ccc(-c2nn[nH]n2)cc1 2325870161 LMBJVWMASFVQIT-UHFFFAOYSA-N 337.261 2.660 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 176572 WNESZXKWXXPKIR-CYBMUJFWSA-N 338.835 2.944 0 50 EFAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nccs1 428233 MWUKHZXGFLJFGZ-UHFFFAOYSA-N 332.410 2.848 0 50 EFAA Cc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O 566582 VZERBZWNZGFACX-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA O=C(c1ccccc1F)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 1235577 TZKNKNPMHFYONG-AWEZNQCLSA-N 331.368 2.783 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3nc4ccccc4o3)C[C@H]21 2356162270 FNYOURKYAFETHD-KSMMKXTCSA-N 328.412 2.770 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccs1 4855594 XAVIRFWZVYIXKV-GFCCVEGCSA-N 330.409 2.909 0 50 EFAA CC1(C)CC(NS(=O)(=O)c2cccc(Cl)c2)CC(C)(C)N1 4988126 IIGOPJYPJJJEOO-UHFFFAOYSA-N 330.881 2.928 0 50 EFAA COC(=O)CCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 55199328 VNEBSOYDJCTXSY-UHFFFAOYSA-N 329.352 2.780 0 50 EFAA COC(=O)c1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1 65465012 PYOYASLSCMBHJE-ZDUSSCGKSA-N 348.362 2.528 0 50 EFAA O=C(Cn1cnc2ccccc21)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348262987 RTLHBIYFNVNJKA-YJBOKZPZSA-N 339.370 2.510 0 50 EFAA CCCN1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 249759251 XAGIZDLJEXVIHM-ZWKOTPCHSA-N 344.503 2.544 0 50 EFAA CCOC(=O)NC(NCc1ccco1)(C(F)(F)F)C(F)(F)F 20167874 BACKIXGGNOZETE-UHFFFAOYSA-N 334.216 2.936 0 50 EFAA CN1CCC(Cc2noc([C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)n2)CC1 67820779 AQONLEXZRSSZSY-KYNGSXCRSA-N 333.476 2.783 0 50 EFAA COC[C@@H](Nc1cc(C)nc(N2CCCCC2)n1)c1ccccn1 65500184 PTCMGMDGTJUBPH-MRXNPFEDSA-N 327.432 2.970 0 50 EFAA CN1CCC(N2CCC[C@@H](NC(=O)Cc3ccccc3Cl)C2)CC1 11711387 WBCYROSKDTWDAB-MRXNPFEDSA-N 349.906 2.557 0 50 EFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)C(C)(C)C)C3)cc1 67650081 JUSATVVVNPFUHV-UHFFFAOYSA-N 325.412 2.964 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(Cc2cnc(-c3ccccn3)nc2)C1 67847157 YSOFLCHHZVMLQR-OAQYLSRUSA-N 346.434 2.941 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)NCc1cccc(N2CCOCC2)n1 354839422 FFXXARAJVHDBAO-UHFFFAOYSA-N 343.427 2.873 0 50 EFAA O=C(NC[C@H]1CCCS1)N1CCC(OC[C@H]2CCCCO2)CC1 125156307 WRTYYHTXMXEJSN-HZPDHXFCSA-N 342.505 2.642 0 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O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(Cn2ccnc2)c1 365285915 QIYPWLFUYBUIQR-UHFFFAOYSA-N 344.378 2.969 0 50 EFAA O=C(CCc1ccccc1)[C@H]1CCCN(CC(=O)N2CCCCC2)C1 72167010 IIGISOBVHJXBMX-IBGZPJMESA-N 342.483 2.913 0 50 EFAA CC[C@H](C)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 71774957 FKOZLDVJTJCBGT-LBPRGKRZSA-N 325.416 2.654 0 50 EFAA CN(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cn1 262699838 JYVHFTMWGBGSMK-HNNXBMFYSA-N 325.368 2.539 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)NC[C@@H]1CCCNC1 261845716 JAGACBNGSQKRPQ-CYBMUJFWSA-N 332.831 2.988 0 50 EFAA COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2C(=O)O)cc1F 262380007 IDSTVPPVRWREBW-OLZOCXBDSA-N 333.315 2.681 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C12CCCC2 241795532 RZYYVTGHVJQUCB-VVLHAWIVSA-N 331.460 2.720 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 262905564 MRSSQPILOCWBBL-QGZVFWFLSA-N 327.355 2.913 0 50 EFAA COc1ccc(CC(=O)Nc2ccccc2-c2nc[nH]n2)cc1OC 378258352 FFCPYZKFCSIALA-UHFFFAOYSA-N 338.367 2.670 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)[C@H]2OCCc3ccccc32)C(=O)O)c1 263196761 YELSKVRCARQRFM-MSOLQXFVSA-N 339.391 2.859 0 50 EFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 17071013 KSRZPBJWXFQPAM-WDEREUQCSA-N 338.429 2.629 0 50 EFAA Cc1ccccc1CNC(=O)[C@H](C)N1CCO[C@@H](c2nccs2)C1 222212232 DBZGOIARPALQMC-GOEBONIOSA-N 345.468 2.530 0 50 EFAA C[C@H](NC(=O)c1cn(C)nc1C(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C 20617113 UJESYYKHGJLXKB-RYUDHWBXSA-N 336.480 2.749 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccnc(N)n3)c2)C1 426477912 AMDHWDMBWVAGCO-INIZCTEOSA-N 340.427 2.757 0 50 EFAA Cc1cccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)c1 97962238 ZNZPMTABDUKVCI-SFHVURJKSA-N 338.407 2.751 0 50 EFAA CCN1CCC[C@@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1 426489983 GAFDDVYAYSAQDF-HXUWFJFHSA-N 329.488 2.985 0 50 EFAA CCOC(=O)[C@@H]1C[C@H]2CC(=O)CC[C@H]2CN1C(=O)OC(C)(C)C 142847572 PKEFQSLNTJXAEE-SCRDCRAPSA-N 325.405 2.544 0 50 EFAA CC(C)NC(=O)c1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 236700670 INLLAIUKSGKNDK-KRWDZBQOSA-N 325.412 2.853 0 50 EFAA Cc1noc(C)c1CC(=O)N1C[C@H](c2ccccc2)C[C@@H](C(=O)O)C1 180315266 WVMFBUITMJKSBZ-HZPDHXFCSA-N 342.395 2.551 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NC[C@]3(O)CCC[C@@H]3C)c12 294131585 KTGYWFIBLPBJIX-ORAYPTAESA-N 330.428 2.776 0 50 EFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C2CCCCCC2)C1 95355511 SLEIITSWUODQPN-MRXNPFEDSA-N 342.491 2.962 0 50 EFAA Cc1cnn([C@@H](C)C(=O)N2CCC(c3nccn3C(C)C)CC2)c1 95497629 DNTRWLSBOYJLDJ-HNNXBMFYSA-N 329.448 2.936 0 50 EFAA Cc1ccc(OCCCN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(C)c1 91435150 GRPUEELHLAIQJD-MRXNPFEDSA-N 344.455 2.542 0 50 EFAA COCCN1CCC[C@]2(CCN(c3nccc4ccccc34)C2)C1=O 95352038 MGSPMZDMYQYLTH-HXUWFJFHSA-N 339.439 2.700 0 50 EFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCO[C@H](c2ccccc2)C1 95376320 RDOXMBGXWSWUGD-SFHVURJKSA-N 346.390 2.752 0 50 EFAA CC(C)N1CCC(C(=O)N2CCCN(c3ccccc3)CC2)CC1 95365483 RNGURAMFERFQSD-UHFFFAOYSA-N 329.488 2.846 0 50 EFAA Cc1ocnc1C(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 97679757 VSBWEUIUILOLHW-INIZCTEOSA-N 330.384 2.683 0 50 EFAA Cc1c(NC(=O)COc2ccccc2F)cnn1C1CCOCC1 295569394 NLOFEXDOLIONEY-UHFFFAOYSA-N 333.363 2.700 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 244882760 XYMAWTXFIMUATC-KFWWJZLASA-N 333.428 2.571 0 50 EFAA CN(CCC(=O)N(C)Cc1ccccc1)Cc1noc(C2CCC2)n1 244795704 RLZPTQDUWHVPTC-UHFFFAOYSA-N 342.443 2.818 0 50 EFAA COc1ccccc1OC1CN(Cc2nc(-c3ccco3)no2)C1 244734871 NNFJALLDNULDKZ-UHFFFAOYSA-N 327.340 2.601 0 50 EFAA Cc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)no1 252571969 YOTUTHUVQMQKPE-JOQOYGCGSA-N 337.379 2.773 0 50 EFAA CC(C)c1nnc(CN2CCC(c3nnc4n3CCCCC4)CC2)o1 252479585 BICIXQNGYVQVOI-UHFFFAOYSA-N 344.463 2.891 0 50 EFAA Cc1nc(COc2ccccc2C(=O)N2CCc3cnccc32)no1 183648070 MRKBUECGECTNQV-UHFFFAOYSA-N 336.351 2.555 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 252550391 SNDFGCSEUCMUBN-VDISTLRHSA-N 341.390 2.554 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1F 299153788 QUTUNOFNYNAUKO-TYFHEEPYSA-N 332.350 2.983 0 50 EFAA O=C(NCCCc1ccc(O)cc1)N1CC[C@H](N2CCCCC2)C1 265444338 LSFANMOKLUBEGI-KRWDZBQOSA-N 331.460 2.595 0 50 EFAA CC(C)c1nnc([C@H](C)NC(=O)CCc2n[nH]c3c2CCCC3)o1 299779628 SGFFYQPVPADQMY-NSHDSACASA-N 331.420 2.605 0 50 EFAA CCc1nnc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)o1 299774222 AFWGVFKVPHXODP-UHFFFAOYSA-N 328.416 2.581 0 50 EFAA Cc1csc([C@@H](C)NC(=O)c2cc(Cl)ccc2OCCN)n1 299766633 KJLBPPPIDUYTHD-SNVBAGLBSA-N 339.848 2.933 0 50 EFAA CSCCc1nc(Cc2cccc(Cl)c2)nn1CCCO 670457699 JXABZGBIUCQURT-UHFFFAOYSA-N 325.865 2.810 0 50 EFAA Cc1ccc(-c2ccnc(N3CCC(c4nc[nH]n4)CC3)n2)c(C)n1 670468413 IHITYZLFUNMRRL-UHFFFAOYSA-N 335.415 2.658 0 50 EFAA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1nnc2ccccc2n1 1338649232 VTYARDCNNDOWBM-CYBMUJFWSA-N 333.395 2.900 0 50 EFAA COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1F 952871742 CZOHCBBSVGTXFG-INIZCTEOSA-N 343.402 2.510 0 50 EFAA CC(C)c1csc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)n1 1565528937 AIDKPQDZEDTDDS-JSGCOSHPSA-N 347.440 2.628 0 50 EFAA c1ccc(CO[C@H]2COCC[C@@H]2Nc2ncnc3ccccc23)nc1 1565510802 WUTGZLHDYYXGPN-ROUUACIJSA-N 336.395 2.811 0 50 EFAA Cc1cc2cc(NS(=O)(=O)c3ccccc3F)ccc2[nH]c1=O 205814278 QZAXJFOWKARXSX-UHFFFAOYSA-N 332.356 2.776 0 50 EFAA Cc1noc([C@@H]2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)C2)n1 222114063 IVWZHJOEOHRACZ-NVXWUHKLSA-N 340.427 2.577 0 50 EFAA CN(C)[C@@H](c1ccccc1)c1nc(CC(=O)Nc2ccccc2)no1 170615945 NXOHFXHCCCPLFU-SFHVURJKSA-N 336.395 2.902 0 50 EFAA C[C@@H]1Oc2ccc(NC(=O)c3coc(CC4CC4)n3)cc2NC1=O 170597751 VJBURTZVVAGICP-VIFPVBQESA-N 327.340 2.599 0 50 EFAA CCc1nnc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)s1 192619354 ZNUBDRVIQDBHBQ-UHFFFAOYSA-N 339.442 2.615 0 50 EFAA CC[C@H](C)N(CC)S(=O)(=O)c1cccc2c(C(=O)O)nccc12 656715999 CVYVGBSEWJITJS-NSHDSACASA-N 336.413 2.742 0 50 EFAA CC(C)c1ccc2ncnc(N3CCC[C@H](N4CCNC4=O)C3)c2c1 663429345 BAOJLIYITUCEMB-HNNXBMFYSA-N 339.443 2.747 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Br 100320192 NIUISBBQDJDGKY-NGERZBJRSA-N 336.185 2.911 0 50 EFAA Cc1cc(F)ccc1N1CCC(NCc2nnc3ccccn23)CC1 1506395699 DWSFSRHYNHROOE-UHFFFAOYSA-N 339.418 2.935 0 50 EFAA O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Br)o1 353037514 SHTQZJWOKCKQMS-UHFFFAOYSA-N 346.158 2.541 0 50 EFAA CN(C)CC1(CO)CCN(Cc2cccc(C(F)(F)F)c2F)CC1 1772712802 QKMLXGZLNGUMBC-UHFFFAOYSA-N 348.384 2.981 0 50 EFAA CC(C)(C)CN1CCC[C@]2(CCN(CCCn3cccn3)C2)C1=O 11813635 ZKILPIVRMYIZQP-LJQANCHMSA-N 332.492 2.634 0 50 EFAA CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 11937407 LYQKVURACNEFGD-MRXNPFEDSA-N 325.368 2.823 0 50 EFAA Cc1cccc(CN2CCC[C@@](O)(CN3CCC(C)CC3)C2=O)c1 12302573 BHYIZBAYHKFACA-HXUWFJFHSA-N 330.472 2.580 0 50 EFAA COc1cc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1F 15076262 RBODAWDLLRPPDC-INIZCTEOSA-N 346.377 2.864 0 50 EFAA Cc1noc(C)c1CN1CCC(NC(=O)c2cc(F)ccc2F)CC1 169751650 ODYDXOGKYNHBRC-UHFFFAOYSA-N 349.381 2.964 0 50 EFAA Cc1cccc2c1CCN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)C2 1857529312 NXYVHMNHTDOZON-KGLIPLIRSA-N 339.439 2.949 0 50 EFAA O=C1OCCN1c1cccc(-n2ccnc2-c2cnn3cccnc23)c1 1857693905 RMMPJAJAOTYZMK-UHFFFAOYSA-N 346.350 2.539 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cn(C(C)(C)C)nc2C)n[nH]1 407980580 MRHDJWGFKPBXQR-AWEZNQCLSA-N 330.436 2.740 0 50 EFAA CCn1c(SC[C@H]2COC(=O)N2)nnc1-c1cccc(Cl)c1 408522303 HEJCLVNNTDFLIF-LLVKDONJSA-N 338.820 2.819 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C1 332199763 RFWOHPZLNFHOLB-LBPRGKRZSA-N 331.445 2.621 0 50 EFAA C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CCOC1 241587881 OXWPRDUBGZFWNY-DLBZAZTESA-N 346.471 2.706 0 50 EFAA CNC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 266982763 ZPZYGVCQZSOQLG-SJCJKPOMSA-N 341.386 2.804 0 50 EFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCn2nc(C)nc2C1 267351899 PPULPCFPQABENV-UHFFFAOYSA-N 341.198 2.558 0 50 EFAA CN(C)C(=O)NCc1cn(CCc2cc(Cl)cc(Cl)c2)nn1 900568255 CTBQISMBKYYWOG-UHFFFAOYSA-N 342.230 2.599 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(C(=O)O)cc3)C1)CC2 1704330019 SXZOFMOUFCTHGW-HXUWFJFHSA-N 337.423 2.963 0 50 EFAA CN(C)Cc1cc(CN2CC(C)(C)[C@H]2c2nccn2CC2CC2)no1 952891128 ARBORMFWWFOZEQ-QGZVFWFLSA-N 343.475 2.926 0 50 EFAA CC(C)c1onc(C(F)(F)F)c1C(=O)N(C)CCN(C)C1CC1 952994723 JNWORSSGYFNNFJ-UHFFFAOYSA-N 333.354 2.983 0 50 EFAA Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)CCC3)o1 1875262900 NIKFTJYAEVVEAK-HNNXBMFYSA-N 349.408 2.571 0 50 EFAA COc1cc([C@H]2CCCN(C(=O)C(C)(C)C(=O)O)C2)cc(F)c1F 1875292198 ZYXWWVGOPNCDLL-JTQLQIEISA-N 341.354 2.790 0 50 EFAA Cc1cc(C)c([C@H](N)C(=O)N2CCC(Cc3cc[nH]n3)CC2)c(C)c1 1875315093 IHUDGYNRZIWEQM-IBGZPJMESA-N 340.471 2.816 0 50 EFAA O=C([C@@H]1CCc2nncn2CC1)N1CCCCC[C@@H]1c1ccco1 879026574 UZYLQNPJXPAZGO-HUUCEWRRSA-N 328.416 2.968 0 50 EFAA O=C(Cc1c(F)cccc1Cl)Nc1ccc([C@@H]2CCCN2)nn1 886085390 NLIKXIRXFNKZNR-ZDUSSCGKSA-N 334.782 2.875 0 50 EFAA c1nc(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c2c[nH]nc2n1 895674488 PPUUFDDHDUNBRN-SNVBAGLBSA-N 326.429 2.682 0 50 EFAA O=C(N[C@H]1CCCSC1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 1775986863 LWYWACPJDRXKCZ-WMLDXEAASA-N 342.468 2.962 0 50 EFAA COc1ccc(-n2ccnc2CN2CCN(C3CC3)C[C@@H]2C)cc1 2100482179 CPJQIELDDVGWOZ-HNNXBMFYSA-N 326.444 2.549 0 50 EFAA Cc1cn2c(n1)C[C@@H](C(=O)N(C)Cc1ccn(-c3ccccc3)n1)CC2 858645929 CRUUHWYJXASSCL-INIZCTEOSA-N 349.438 2.598 0 50 EFAA CCOc1ccc(OC[C@@H](O)CN(C)c2nc3ccccc3[nH]2)cc1 151911718 ALXRDAVITGIXHK-AWEZNQCLSA-N 341.411 2.838 0 50 EFAA COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1OC 279270 RKANZFVMJQLDRG-UHFFFAOYSA-N 340.423 2.595 0 50 EFAA COc1cccc2c(C)nc(Nc3nc(=O)c4ccccc4n3C)nc12 377102 BSWTWSLMXBWEQY-UHFFFAOYSA-N 347.378 2.937 0 50 EFAA biogenic NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 615493 HBYRJISFHYFFQL-UHFFFAOYSA-N 338.285 2.822 0 50 EFAA S=C(NCc1ccccc1Br)NC[C@H]1CCCO1 1056024 SJUVKYUPXLYXGR-LLVKDONJSA-N 329.263 2.592 0 50 EFAA CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CN(CC)C1CC1 133038705 AFGOJTZXRJOYFA-IBGZPJMESA-N 343.515 2.841 0 50 EFAA O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1ccccn1 4487357 BLELSXQFIXFFKK-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(C)C3=O)c1 6747830 QQGRUKJCOZHGAE-GOSISDBHSA-N 335.363 2.966 0 50 EFAA COc1ccc(NC(=S)NC[C@H](O)c2ccccc2)c(OC)c1 8683598 JBEHIUHIWDLKIU-HNNXBMFYSA-N 332.425 2.724 0 50 EFAA Cc1c(-c2ccnc(N3CCCC3)n2)cnc2nc(C(F)(F)F)nn12 54202068 PFIGNZCBKVQRFY-UHFFFAOYSA-N 349.320 2.509 0 50 EFAA CCN(CCOc1cccc(OC)c1)C(=O)Cc1cccc(O)c1 55358354 FWXGKWFRDGZZPC-UHFFFAOYSA-N 329.396 2.871 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@H](N(O)c2ccccc2)C1=O 100288904 OEYJYVYTFSKKEI-HNNXBMFYSA-N 326.352 2.613 0 50 EFAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 102723870 ZUGGXLWISAQOOV-AHDPXTMNSA-N 347.484 2.596 0 50 EFAA Clc1ccc(Cc2nnc(N3CC[C@]4(CCNC4)C3)s2)cc1 420226269 GMBPJMBDHLJNNJ-INIZCTEOSA-N 334.876 2.972 0 50 EFAA COC(=O)C1CCN(Cc2cc3ccc(SC)cc3[nH]c2=O)CC1 67908486 HHIGUBDIHFUBII-UHFFFAOYSA-N 346.452 2.635 0 50 EFAA CC(C)c1nc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccccc2)n1 65461174 OROYHJCUBYDPEE-UHFFFAOYSA-N 342.424 2.705 0 50 EFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 229580642 MIKNIZOFBBVJLI-PVAVHDDUSA-N 325.412 2.928 0 50 EFAA Cc1ccc(C[C@@H](CO)CNC(=O)COc2ccccc2Cl)cc1 252496305 PGFUGGVUYZBGNX-MRXNPFEDSA-N 347.842 2.995 0 50 EFAA Cc1cc2occ(CC(=O)N(C)[C@@H]3COC[C@H]3O)c2cc1C(C)C 329396190 UIKNNMGRKUALET-IAGOWNOFSA-N 331.412 2.625 0 50 EFAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(F)ccc1F 229866188 OFUIRNXRKSWLNL-UPJWGTAASA-N 346.443 2.610 0 50 EFAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1nc(C2CC2)cs1 252512214 OCVCTDUJKOENSH-SWLSCSKDSA-N 336.505 2.545 0 50 EFAA CCn1cc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)cn1 72408451 LKYNTJZYKCSBFV-UHFFFAOYSA-N 329.444 2.879 0 50 EFAA C[C@@H](C(=O)NCCCSc1ccc(Cl)cc1)N1CCCC1=O 215789766 NCPHOQZKFDFQBF-LBPRGKRZSA-N 340.876 2.949 0 50 EFAA CC(C)=CCN1CCC[C@](O)(CNC(=O)Cc2ccccc2)CC1 72149343 MTYIAIBJKXABNG-HXUWFJFHSA-N 330.472 2.529 0 50 EFAA CC(C)Cc1nc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)no1 328629953 IVPQCAFTXHNPPX-LPHOPBHVSA-N 343.475 2.788 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCNC[C@H]1C 124868513 DDSYBTSTNPISHA-LLVKDONJSA-N 333.432 2.615 0 50 EFAA CNc1nc(C(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)cs1 77303753 JUARYEAYPQHGNI-NSHDSACASA-N 347.440 2.832 0 50 EFAA C[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)c2ccccc2N(C)C1=O 365529950 WSVHQSPSNCJXLE-LBPRGKRZSA-N 338.411 2.548 0 50 EFAA Cc1nc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)no1 331832329 OFJQXWOEJKZXER-JTQLQIEISA-N 329.326 2.510 0 50 EFAA CCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCCc2ccccc2)CC1 72167900 JGVHKQNKMAOQGI-UXHICEINSA-N 343.515 2.730 0 50 EFAA COCCCCN1CCN(C(=O)c2[nH]c3c(F)cccc3c2C)CC1 216450954 NWPYBVCYRGYDDG-UHFFFAOYSA-N 347.434 2.800 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)c(C)c1 375583014 POPDKJLLNXEOCP-HKUYNNGSSA-N 341.455 2.929 0 50 EFAA C[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)c1ccc(-c2cccnc2)cc1 282693980 RSEAXWSPQRAICS-VLIAUNLRSA-N 337.423 2.842 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 128556294 SOAPTLYNWBLDEX-NWALNABHSA-N 344.230 2.847 0 50 EFAA Cc1cc(CNC(=O)N(C)[C@@H]2CCc3ccccc32)nc(N(C)C)n1 239882014 CZUSCWLNYJYPRJ-QGZVFWFLSA-N 339.443 2.680 0 50 EFAA CCc1ncsc1NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 157687834 DQLXYBBHHLTIJL-OAHLLOKOSA-N 345.468 2.935 0 50 EFAA CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)no1 77284690 YNFMRRNYIPGGOT-QGZVFWFLSA-N 329.400 2.779 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 237943004 XNLHNGCVRLMSRK-ZDUSSCGKSA-N 345.374 2.871 0 50 EFAA CC(C)c1cc([C@H]2CCCN2S(=O)(=O)NCc2ccccc2)no1 72157009 PQVIBWPIDGPKKS-MRXNPFEDSA-N 349.456 2.970 0 50 EFAA COc1ccc2[nH]cc(C3CCN(c4nccn(C)c4=O)CC3)c2c1 242284674 YIUAHSNSGQRRBZ-UHFFFAOYSA-N 338.411 2.654 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@](O)(CN(C)C)C2)c1 72427320 OKTAKJXXYRTMFK-HXUWFJFHSA-N 342.487 2.582 0 50 EFAA OCC(CO)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71762288 GNMCWIKGWNQGTC-AWEZNQCLSA-N 331.378 2.703 0 50 EFAA CCc1nccn1[C@H]1CCCN(S(=O)(=O)Cc2ccc(C)cc2)C1 288487622 YFOVJBFXJYMYGV-KRWDZBQOSA-N 347.484 2.921 0 50 EFAA Cc1ccc2nc(CCCNC(=O)CCc3cnccn3)[nH]c2c1C 426379688 KLOOVSSNLXPPTC-UHFFFAOYSA-N 337.427 2.651 0 50 EFAA O=C1CCC[C@H](CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)N1 289752542 MIXBASZHOBOOGV-GFCCVEGCSA-N 341.238 2.937 0 50 EFAA O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc2oc(=O)[nH]c2c1 291831216 BVZZRVPKKDIBAR-GFCCVEGCSA-N 328.290 2.972 0 50 EFAA Cc1cccc(N2C[C@H](NC(=O)CCc3scnc3C)CC2=O)c1 82161536 JNPXYVOHXVQUKF-CQSZACIVSA-N 343.452 2.614 0 50 EFAA COC(=O)C1[C@H]2CC[C@H]1CN(c1nc(Br)cs1)C2 145716928 RVORUMJDEQLUNO-YUMQZZPRSA-N 331.235 2.541 0 50 EFAA C[C@@H]1CN(C(=O)CCc2cccs2)CC[C@@]1(O)C1CCOCC1 91906672 ZPJIQRYXCZJOTR-KDOFPFPSSA-N 337.485 2.707 0 50 EFAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 91586133 FQVRQDPYDZHFRV-UHFFFAOYSA-N 338.415 2.755 0 50 EFAA O=C(NCc1cccc(CN2CCCC2=O)c1)c1ncoc1C1CC1 293343026 DGRUJZCBCFFTPI-UHFFFAOYSA-N 339.395 2.604 0 50 EFAA O=C(c1cccnc1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 92106854 PZKLFTLTAGYBCN-SFHVURJKSA-N 347.422 2.741 0 50 EFAA O=C(NC1CCN(Cc2c(F)cccc2N2CCCC2)CC1)C1CC1 179917180 ZYNLEDLVYPDJDZ-UHFFFAOYSA-N 345.462 2.917 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCC(=O)NC2CCCCC2)N(C)C)c1 91636702 XWZCWZFOHPMVGS-IBGZPJMESA-N 345.487 2.553 0 50 EFAA Cc1nc(CCNC(=O)CC[C@H]2CCCN(C)C2)sc1Cl 91391506 CKJBGMXUWXUXJZ-GFCCVEGCSA-N 329.897 2.886 0 50 EFAA O=C1CC[C@]2(CCOC2)CN1CCc1nccc(-c2ccccc2)n1 91691412 MYOKDOLRUMRVHL-FQEVSTJZSA-N 337.423 2.715 0 50 EFAA O=C(c1ncc(F)cc1F)N1CC[C@@H](Cc2cccc(CO)c2)C1 92028751 XZOYESREWHCLAD-ZDUSSCGKSA-N 332.350 2.557 0 50 EFAA Cc1nnc(SCCCNC(=O)[C@@H]2COc3ccccc3C2)s1 91536870 PTWRYRWQXJWGNV-ZDUSSCGKSA-N 349.481 2.696 0 50 EFAA CC1(C)C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)CCO1 97394049 HWDDWQAHBDLHDS-HNNXBMFYSA-N 336.501 2.988 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)c(C)c1)C2 91547927 NFHFYGPJJGGHLW-JKSUJKDBSA-N 332.419 2.536 0 50 EFAA Cc1sc2nc(-c3nc4c([nH]3)CC(C)(C)CNC4=O)cn2c1C 95371929 LFUWSNNXZAKPTM-UHFFFAOYSA-N 329.429 2.715 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)N(C)CC(C)(C)CN1CCOCC1 295575200 WMZRIMQNXUNSFS-UHFFFAOYSA-N 345.487 2.698 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1)c1n[nH]cc1Cl 244601992 DVTZNIPEHISLBD-BZTNIEFMSA-N 341.745 2.583 0 50 EFAA Cc1occc1C(=O)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 244795158 RAPPUTPDRDILAS-OKILXGFUSA-N 326.400 2.654 0 50 EFAA Cc1nccc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 253378451 FGMZYJLHKQJJOU-SIXWZSSISA-N 348.406 2.575 0 50 EFAA Cc1nc2c3ccccc3nn2c(O)c1CCC(=O)Nc1ccccn1 253537177 QSNBSNIPAMTCLL-UHFFFAOYSA-N 347.378 2.863 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)C1=Cc3ccccc3OC=C1)CC2 299777723 QVHBSRYMFUNLNK-XKGZKEIXSA-N 341.407 2.507 0 50 EFAA Cc1ccn(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299776654 BWGISGQJAICNJP-OTWHNJEPSA-N 338.455 2.533 0 50 EFAA C[C@@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12 299773478 CGLSDNNUDUDVIO-SNVBAGLBSA-N 332.791 2.631 0 50 EFAA Cn1c(Cl)cnc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 268891330 KEENOEFTYZICHD-INIZCTEOSA-N 342.871 2.857 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1 275642807 OLWHAVSYJSJQIX-BPUTZDHNSA-N 328.416 2.793 0 50 EFAA Cc1ccc(F)c(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1 408517011 NBMONUOFDXUCFD-LJQANCHMSA-N 326.371 2.921 0 50 EFAA Cc1ccc(Br)c2c1N(C(=O)[C@@H](C)n1cncn1)CCC2 272204023 JKHVIWLBTSECIL-LLVKDONJSA-N 349.232 2.889 0 50 EFAA O=C(NS(=O)(=O)c1cccc2c1N=S=N2)C1[C@@H]2CCCC[C@@H]12 170023972 WXEYRNBACLAEEX-RKDXNWHRSA-N 337.426 2.654 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@H]([C@@H](C)CC)C1=O 170592697 JWILUHNBLWPAOE-WMLDXEAASA-N 348.443 2.877 0 50 EFAA O=C1C[C@H](C(=O)NCc2cc3c(s2)CCCC3)[C@@H]2CCCC[C@H]2N1 666695208 SIHIEOJVUDTENS-HRCADAONSA-N 346.496 2.938 0 50 EFAA CC(C)Oc1ccc(CC(=O)N[C@@H]2COc3ccccc3C2=O)cc1 187341357 MWHPBQSVLOWLKX-QGZVFWFLSA-N 339.391 2.776 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 187482428 WQRZEGVSUCVGMV-JSGCOSHPSA-N 329.404 2.811 0 50 EFAA COCCn1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)n1 189937456 GULMOQCEBHZPTA-GUYCJALGSA-N 331.391 2.892 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)C[C@H]1CO 191965673 ABZTXRNOAQUAFZ-MNOVXSKESA-N 345.365 2.864 0 50 EFAA O=C(Nc1nc(C(F)(F)F)co1)[C@@H]1CC(=O)N(C2CCCCC2)C1 653840309 NXUBGVFWBJEZSC-SECBINFHSA-N 345.321 2.813 0 50 EFAA O=C(NC1CC1)[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 656130342 UQBSLEHMAKLEML-CEXWTWQISA-N 327.472 2.613 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1ncccc1C 657481846 YDKCCSAPGQPOMQ-QFBILLFUSA-N 328.460 2.906 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)N1CCc2ccccc2C(C)(C)C1 664656616 MIRBHDMJGOIIQW-QZTJIDSGSA-N 346.471 2.726 0 50 EFAA COC1(c2noc(Cc3cnn(-c4ccccc4)n3)n2)CCCC1 763357609 KGCVOLONCLEKRQ-UHFFFAOYSA-N 325.372 2.657 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)NCC(C)(C)C)[C@H]1c1ccccc1 1529167458 JXKGXURZEGGNHJ-SJORKVTESA-N 332.444 2.526 0 50 EFAA C[C@@H](C(=O)N1CC[C@@](C)(C(=O)O)C1)c1ccc(Br)s1 237457917 TZIKOSOVEJLOMU-AMIZOPFISA-N 346.246 2.937 0 50 EFAA CC(=O)c1cnc(N2CCC([C@H](O)c3cccs3)CC2)nc1C 1704307053 RYRNFOPSPGSQNJ-INIZCTEOSA-N 331.441 2.999 0 50 EFAA CC(=O)c1ccc(N2CCCN(C(=O)Cc3ccsc3)CC2)nc1 1772804899 GVACGHPYAGPVNK-UHFFFAOYSA-N 343.452 2.627 0 50 EFAA O=C(CCC1CCN(Cc2cccc3nonc23)CC1)N1CCCC1 11934589 DGDHCXZFAHYIBC-UHFFFAOYSA-N 342.443 2.837 0 50 EFAA COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)c1 12000594 OREMZOSWBCKJJG-LLVKDONJSA-N 331.397 2.691 0 50 EFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1nnc2ccccc21 12381644 BVVXZNXNANJINK-UHFFFAOYSA-N 345.424 2.974 0 50 EFAA CCc1ocnc1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 12475690 QJPPMCFFFZNVKH-INIZCTEOSA-N 327.428 2.674 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 15067455 SDIUTPMCXYVBOY-OAHLLOKOSA-N 343.471 2.664 0 50 EFAA Cc1ccccc1OCCNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1857528253 GXKTXJXZDWCUCW-KGLIPLIRSA-N 343.427 2.560 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CC12CCOCC2 1857681623 BAJFTKNTSPINMP-HNNXBMFYSA-N 344.386 2.687 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(Cc1noc(C3CC3)n1)CC2 1857669164 NYCXVCJHPRXFPG-UHFFFAOYSA-N 349.438 2.948 0 50 EFAA CN1CCOC2(CCN(Cc3ccc(Cl)cc3F)CC2)CC1=O 1857683640 KVPXCWHMWDOHQY-UHFFFAOYSA-N 340.826 2.692 0 50 EFAA COc1cc2c(cc1-c1nccn1CC[C@@H]1CCCN1C)OCCO2 1857685316 REPGRCQVSWGGHH-AWEZNQCLSA-N 343.427 2.814 0 50 EFAA Cc1nc([C@H]2CC[C@H]3OCCN[C@@H]3C2)n(-c2ccc3ccccc3n2)n1 1857711624 AVZUXQNGXCYUEO-CGTJXYLNSA-N 349.438 2.748 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857720598 BALDYQGZDZLPDK-VQIMIIECSA-N 342.414 2.605 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc3sc(=N)[nH]c3c2)on1 1857737898 IKIICMMYMATLBA-LBPRGKRZSA-N 328.397 2.983 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2occc2Br)C1 225524780 FIFZOJAEAMLLTR-SNVBAGLBSA-N 338.205 2.795 0 50 EFAA COC[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 113592100 APORECACPBXEOD-MJGOQNOKSA-N 345.487 2.892 0 50 EFAA Cc1noc([C@@H](NC(=O)c2cc(C)c(C)s2)C2CCOCC2)n1 328610279 HEVQMIPLDBEVCZ-AWEZNQCLSA-N 335.429 2.954 0 50 EFAA Cc1ncc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCCN(C)C1 636270619 GJNPHNKOMWUPKH-LBPRGKRZSA-N 329.366 2.871 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CCOc2ccccc21 237041116 LZOALPPYPIPSDO-MRXNPFEDSA-N 325.364 2.910 0 50 EFAA CC(C)(C)c1cnc(CN2CCCC[C@H]2C(=O)NCC(F)F)o1 451798648 UTKSTXXWMHCDDX-NSHDSACASA-N 329.391 2.708 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 132228001 SHHFFWPDJRRXMT-ORAYPTAESA-N 327.428 2.904 0 50 EFAA O=C(NC[C@H](O)C(F)F)c1cccc(OCc2cccs2)c1 253430335 YUOBTNDOUDRIHB-ZDUSSCGKSA-N 327.352 2.683 0 50 EFAA Cc1cccc([C@H](NC(=O)[C@H]2Cc3ccccc3O2)C(=O)O)c1C 262923587 FKWPQFNWKLEWEI-SJORKVTESA-N 325.364 2.549 0 50 EFAA CC1(C)CCc2onc(C(=O)NCc3ccccc3C(=O)O)c2C1 902378045 KIDSYOIDIWNYSG-UHFFFAOYSA-N 328.368 2.818 0 50 EFAA COCc1ccc([C@@H]2COCCN2Cc2ccc(C(=O)O)s2)o1 903630895 IHQIOZPFOBYEQO-ZDUSSCGKSA-N 337.397 2.759 0 50 EFAA Cc1nc([C@@H]2CCN(C(=O)c3cc4c(C)ccc(F)c4o3)C2)n[nH]1 822748652 HJJOWYUKHSCOAM-LLVKDONJSA-N 328.347 2.937 0 50 EFAA O=C(Nc1ccc(-c2cccc(O)c2)cc1)[C@@H]1CCCS1(=O)=O 1143480402 GZNOLPNNMOEJIN-INIZCTEOSA-N 331.393 2.575 0 50 EFAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c(F)c1Cl 864279092 BCVDXOCUJMMKPV-LBPRGKRZSA-N 343.782 2.645 0 50 EFAA C[C@@H](c1ccc2c(c1)OCO2)N1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O 1875291278 UBLUNURYHRWNSJ-XQCUEUFKSA-N 328.368 2.539 0 50 EFAA CSc1ncc2c(NCC(C)(C)N3CCSCC3)nccc2n1 1875383169 JMDNIKSAIGRHKQ-UHFFFAOYSA-N 349.529 2.986 0 50 EFAA COc1ccccc1[C@@]1(C)C[C@H]1N=c1[nH]c(Cl)nc2c1COCC2 1875394976 DOYITLBFJVHXEE-CRAIPNDOSA-N 345.830 2.775 0 50 EFAA COc1ccccc1C1(NC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875394943 CLOCWZZSUPMZIG-NWDGAFQWSA-N 341.411 2.860 0 50 EFAA Cn1nc(-c2ccco2)cc1CN1C[C@H]2C[C@H]1C[C@]2(O)C(F)(F)F 1875404683 QPYNFBFRXOCDCI-JRPNMDOOSA-N 341.333 2.568 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cnn3c2OCCC3)C2CCC2)cc1 885405688 YPAMIKSJRFSVDK-KRWDZBQOSA-N 341.411 2.945 0 50 EFAA CC(C)(C)OC(=O)N1CCC(CNC(=O)/C=C/Br)CC1 888099498 NHWZKRDYTZRHET-QPJJXVBHSA-N 347.253 2.658 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@H](C)C[C@@H]2CCC(=O)N2)cc1 888099013 STYOKCJQAOSQNK-AEFFLSMTSA-N 347.503 2.554 0 50 EFAA Cc1nccc(N2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)n1 895298242 ZWCLZYPSXGLGSH-WBVHZDCISA-N 343.431 2.656 0 50 EFAA CCOC1CC2(CCN(c3nnnn3Cc3ccccc3Cl)C2)C1 1776000020 DQCNUACOHPUZPA-UHFFFAOYSA-N 347.850 2.770 0 50 EFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 34609 UHYMQAGBRQDUNN-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA CCOc1ncc(C)cc1NS(=O)(=O)c1cnn(C(C)(C)C)c1 2325772258 IKAIINLREVWYLV-UHFFFAOYSA-N 338.433 2.541 0 50 EFAA O=c1nc[nH]c2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 204339907 PQLYVXTWMBTYPP-CQSZACIVSA-N 328.322 2.938 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 142276 DRQQUJRZEFTVBC-UHFFFAOYSA-N 346.452 2.898 0 50 EFAA O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 266713 MDPFHZNFFTWBJT-UHFFFAOYSA-N 330.334 2.563 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@]23CCCNC3=O)c1 2356160077 BZZVBMZLPZNBIW-FQEVSTJZSA-N 338.455 2.938 0 50 EFAA CC1=CC2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)OCC1 2356160514 VWCOUGZQAPSGDI-UHFFFAOYSA-N 331.441 2.666 0 50 EFAA CN(C)C(=O)N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl 4531894 GXBZZAHMKZHKGK-YFKPBYRVSA-N 336.697 2.790 0 50 EFAA Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=O)CCC2 4866662 SJUHVRFNJCRGHM-UHFFFAOYSA-N 327.336 2.766 0 50 EFAA COC(=O)N1C[C@H]2[C@H](CN3CCC(c4ccccc4OC)CC3)[C@H]2C1 101906042 IMTUEDHDIOTRHZ-NNZMDNLPSA-N 344.455 2.819 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 225559658 YZMLSSVCNRPXRF-GHMZBOCLSA-N 341.238 2.834 0 50 EFAA Cc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 67623003 JHRIBXAVKVJUOO-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)[C@@H](C)CN)[nH]c2-c2ccccn2)cc1 67834363 NWTVOLZXLJPPFR-AWEZNQCLSA-N 349.438 2.658 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)c1ccc2c(c1)OCCO2 248165791 ZUTCMOJUGGZWPH-USXIJHARSA-N 344.455 2.647 0 50 EFAA O=S(=O)(c1c(F)cccc1Cl)N1CC[C@@H]2OCCC[C@H]2C1 248618260 BGVPKIIKJBDYFG-GWCFXTLKSA-N 333.812 2.669 0 50 EFAA CCN1CCN(C[C@H](O)COc2ccccc2-c2ccccc2)CC1 22918013 FGUGTIYSGNXZMK-IBGZPJMESA-N 340.467 2.731 0 50 EFAA COc1cccc(-c2cn(CCc3c(C)n[nH]c3C)nn2)c1OC 67955403 RNIMYCASSPCQBV-UHFFFAOYSA-N 327.388 2.545 0 50 EFAA CCNc1ncc(C(=O)N2CCCN(c3ccccc3C)CC2)cn1 67692564 KDADJRHHKCRVGY-UHFFFAOYSA-N 339.443 2.569 0 50 EFAA CC(=O)c1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 22064120 CZBHOKWVRSQPQK-UHFFFAOYSA-N 338.407 2.974 0 50 EFAA CCOC(=O)Cc1cc(O)n2nc(-c3ccc(Cl)cc3)cc2n1 8763139 LBWXGTQFJVDTDK-UHFFFAOYSA-N 331.759 2.861 0 50 EFAA O=C(C[C@H]1C=CCC1)N1CCCN(C(=O)c2cccc(F)c2)CC1 119424683 GNTNYUPTVUSXJL-HNNXBMFYSA-N 330.403 2.857 0 50 EFAA CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[C@H]1CCS(=O)(=O)C1 122900599 SNMCMHWHFNSHLQ-CQSZACIVSA-N 341.448 2.778 0 50 EFAA C[S@](=O)C1(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)CCC1 280787906 ONBTXBCGRHDSMS-FYSMJZIKSA-N 349.500 2.574 0 50 EFAA C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)C[C@@H](C)O1 229734281 KGHZAPYDZWNSGI-CKEIUWERSA-N 333.432 2.601 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cccc(-n3cnnc3)c1)C2 67872889 SADGLGOKQOVOSS-UHFFFAOYSA-N 348.410 2.511 0 50 EFAA O=C(O)C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 249143 PKPITNALFNRYTK-NWDGAFQWSA-N 331.290 2.914 0 50 EFAA O=c1ccc(-c2ccccc2)nn1CN1CCO[C@@H]2CCCC[C@H]21 230259578 KQRAOLUMKOWJNT-QZTJIDSGSA-N 325.412 2.511 0 50 EFAA Cc1nnc(NC(=O)CCCn2sc3ccccc3c2=O)s1 36357858 RNCIJLFVLIYQDU-UHFFFAOYSA-N 334.426 2.642 0 50 EFAA CCOc1ccc2c(C)c(C(=O)N[C@H]3CC[C@H]3N)oc2c1OCC 72130886 OZWRDIPTTHHBMB-OLZOCXBDSA-N 332.400 2.758 0 50 EFAA CC(C)CCN1CC2(CCN(C(=O)c3cccc(O)c3)CC2)OC1=O 77302973 JBZWBZWFNCCKOQ-UHFFFAOYSA-N 346.427 2.865 0 50 EFAA C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(-n3ccnn3)cc2)C1=O 328595132 LSBMUUCLEMQTBL-AWEZNQCLSA-N 347.378 2.797 0 50 EFAA O=C(Nc1ccc(Oc2ncccn2)cc1)N1C[C@@H]2CC[C@H](C1)O2 253429794 GJWSYMWCZUQMIM-GASCZTMLSA-N 326.356 2.664 0 50 EFAA O=C(O)CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 36047744 WNIJWPIOKKTCBZ-UHFFFAOYSA-N 334.347 2.928 0 50 EFAA COCc1nc(CC(=O)Nc2ccc3nc(S)oc3c2)cs1 132260248 PTHJTZXANWPTED-UHFFFAOYSA-N 335.410 2.901 0 50 EFAA CCN1CCC(n2nccc2NC(=O)c2ccc(F)c(OC)c2)CC1 151820115 JVSSANIWYVNFHH-UHFFFAOYSA-N 346.406 2.940 0 50 EFAA Cn1c(=O)oc2ccc(C(=O)N(Cc3ccccn3)C(C)(C)C)cc21 71759294 BBYXWBBGBUCQKK-UHFFFAOYSA-N 339.395 2.967 0 50 EFAA COc1ccc(CCNS(=O)(=O)CCCC(C)(C)C)cc1OC 241439905 NNJLHIUKPHMJPT-UHFFFAOYSA-N 343.489 2.992 0 50 EFAA CCN(C)C(=O)[C@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 241644637 PSJJASFJDVLRDD-AWEZNQCLSA-N 332.448 2.665 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN1C(=O)NCC1C2CC3CC(C2)CC1C3 490231370 UFVDHSXLSUPYQZ-NEPSPCKVSA-N 345.487 2.511 0 50 EFAA C=CC(=O)N1CCC(C(=O)NOC2CCCC2)(c2ccccc2)CC1 490759788 REMHCIKGLNOKCU-UHFFFAOYSA-N 342.439 2.723 0 50 EFAA C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)[C@H]1CN 156861728 NEWBDWYNBXVBQU-KXBFYZLASA-N 339.439 2.860 0 50 EFAA CC(C)c1ncncc1C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 262060005 GZTASSXTJWFVSR-UHFFFAOYSA-N 349.774 2.969 0 50 EFAA CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1c(C)noc1C 157206167 LNTSLUZGHNSFKB-HNNXBMFYSA-N 349.456 2.711 0 50 EFAA O=C(c1cccc(CO)n1)N1CCC[C@@H](COc2ccc(F)cc2)C1 72428936 GEZHXBMIYSEJGL-CQSZACIVSA-N 344.386 2.644 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N3CC[C@H](CO)[C@H](O)C3)cc2)c1 72132025 NEHFQMVNVTYJHP-VQIMIIECSA-N 341.407 2.603 0 50 EFAA COc1ccccc1[C@H](C)NC(=O)CN1CCC2(CCOCC2)CC1 283965676 CBLVTGSXIKVRRQ-INIZCTEOSA-N 346.471 2.765 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1cccc(F)c1 72468119 DMVZZICXEIQXLT-GOSISDBHSA-N 347.478 2.638 0 50 EFAA COc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)c(OC)c1 284811864 UAAMWWDDBRCPNS-SFHVURJKSA-N 345.443 2.695 0 50 EFAA C[C@@H]1C[C@H](O)CN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 340920890 XJLPKXDJTWFRNY-APWZRJJASA-N 338.451 2.690 0 50 EFAA COc1cccc(OCC(=O)NCc2cc3cc(OC)ccc3[nH]2)c1 222529754 QYNPTWFXLPLBAZ-UHFFFAOYSA-N 340.379 2.880 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286313922 NRIDSFBNSHIDFD-GUDVDZBRSA-N 341.407 2.949 0 50 EFAA CC[C@H](NC(=O)N1CCN(c2ncccc2C)CC1)c1ccncc1 426395396 OTVGUTCATUHJBR-KRWDZBQOSA-N 339.443 2.768 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@@H]1CCc3ccccc31)OCCO2 426690327 QLRTUMUZHXCQIH-MRXNPFEDSA-N 339.391 2.813 0 50 EFAA CC[C@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2 20607591 UYHMJRQUHOFACD-SNVBAGLBSA-N 341.337 2.714 0 50 EFAA C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)nn1C)C(C)(C)C 20617477 XRCLOSFCBFNGLE-NEPJUHHUSA-N 336.480 2.749 0 50 EFAA CCCNC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95355014 LITOTHBXJYDKOY-BMGDILEWSA-N 349.425 2.946 0 50 EFAA Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)s1 292308306 BDNNLCCJKONGFY-HAQNSBGRSA-N 331.459 2.534 0 50 EFAA COc1ccccc1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95358551 IPVNGSOWTPGOSY-OXQOHEQNSA-N 339.391 2.758 0 50 EFAA CC1(C)[C@H](NC(=O)NC2CCN(CC3CCCC3)CC2)[C@@H]2CCO[C@H]21 230153325 RLLSBSHYELXTRJ-RCCFBDPRSA-N 349.519 2.754 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2ccn(CCO)n2)C1 426405469 HJEYXMPIWVPXMC-QGZVFWFLSA-N 345.491 2.649 0 50 EFAA CCNc1ncc(C(=O)N2CCC(OC)(c3ccccc3)CC2)cn1 91411715 YWLWVTWHYKSGAI-UHFFFAOYSA-N 340.427 2.686 0 50 EFAA Cc1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)cs1 95508158 IPIDNABUHNLZEN-SWLSCSKDSA-N 348.497 2.531 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cccn1C1CC1)CC2 91818916 GTTSVYNJCAHLSS-UHFFFAOYSA-N 329.444 2.688 0 50 EFAA Cc1nn(C)c2nc(N3CCC[C@H](C(=O)N4CCCCC4)C3)sc12 96140811 DOSFKSVRVRBKCO-ZDUSSCGKSA-N 347.488 2.567 0 50 EFAA CCCSc1ccc(NC(=O)N2CCC[C@@](O)(CO)CC2)cc1 96152943 ZTWHSUMXLVRNOO-KRWDZBQOSA-N 338.473 2.930 0 50 EFAA COCCn1cnnc1CN(C)Cc1[nH]c2c(C)cccc2c1C 97547553 AQRHAQZDBOSWDZ-UHFFFAOYSA-N 327.432 2.655 0 50 EFAA O=C(NCCc1nccc(-c2ccccc2)n1)c1ccc2nccn2c1 91518674 VVWRSXJTTSEGGM-UHFFFAOYSA-N 343.390 2.764 0 50 EFAA Cc1ccccc1N1C[C@H](Cc2ccccc2)N(CCCO)CC1=O 91635390 IPWLMADOORGQON-IBGZPJMESA-N 338.451 2.637 0 50 EFAA Cc1ccc(CN(C)CC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1 244594297 DKJAWCXTINYUCD-QGZVFWFLSA-N 332.444 2.673 0 50 EFAA CN(CC(=O)NCC1(N2CCCC2)CCCC1)Cc1ccc(F)cc1 244673858 HWVNRPKRFHBJMK-UHFFFAOYSA-N 347.478 2.782 0 50 EFAA Cc1cccc([C@@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)N(C)C)c1 248150995 JSTOJGPJQXOMHL-ZOBUZTSGSA-N 332.444 2.605 0 50 EFAA CCCc1noc(CN(C)Cc2cc(C(N)=O)oc2C(C)(C)C)n1 252478144 AEFQTBZGECUPFA-UHFFFAOYSA-N 334.420 2.644 0 50 EFAA Cc1ccc(C)n1CCCC(=O)NCc1nc(-c2ccncc2)no1 253414021 WGGXNJJCYWURRM-UHFFFAOYSA-N 339.399 2.647 0 50 EFAA COCCn1c(-c2ccc3c(c2)OCO3)nc2cc(C(=O)O)ccc21 534647169 FOCBWCGNXKLAQM-UHFFFAOYSA-N 340.335 2.777 0 50 EFAA CC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1 534658873 DOCPQNIPITUDKQ-LJQANCHMSA-N 343.471 2.834 0 50 EFAA CCc1nc(C)c(C(=O)NCCCc2nc3cc(F)ccc3[nH]2)o1 299788147 VOPFQGAZTTTYAA-UHFFFAOYSA-N 330.363 2.923 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)no2)c1 824312902 CLBXFAFZDVKBOY-UHFFFAOYSA-N 331.372 2.944 0 50 EFAA CCN(C[C@H]1CCN(C)C1)C(=O)NCc1ccc(F)cc1Cl 584898472 KVIUZCCXXANEFL-LBPRGKRZSA-N 327.831 2.962 0 50 EFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccncc1 1361562926 CBSNSXUQFKFSSK-QWHCGFSZSA-N 338.333 2.596 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1 952970489 CKUMCXKVNFDQCW-AWEZNQCLSA-N 344.463 2.548 0 50 EFAA COCCCN1C(=O)CC[C@@H]2CN(c3nc4ccccc4o3)CC[C@@H]21 1565515563 UMSBPMYGXMZOPJ-ZBFHGGJFSA-N 343.427 2.682 0 50 EFAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)C1CCCCC1 1565513161 MESCSRHLYLLNFS-IRXDYDNUSA-N 336.432 2.662 0 50 EFAA O[C@H]1CN(C2Cc3ccccc3C2)CC[C@@H]1c1ccc2c(c1)OCO2 1565506235 WGBAPSGDCYQUCJ-MOPGFXCFSA-N 337.419 2.733 0 50 EFAA CS(=O)(=O)c1ccccc1NCc1cnn(Cc2ccccc2)c1 301086864 KLEPHRVKRFIZHV-UHFFFAOYSA-N 341.436 2.947 0 50 EFAA Cc1ccc(C)c(OC[C@H](O)CN(CCO)Cc2ccccc2)c1C 301315301 OJYBZMBEOCSLJW-HXUWFJFHSA-N 343.467 2.846 0 50 EFAA CN(C)C/C=C/C(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 269076013 YLNDWLCSMYLFPY-DVFNVHRYSA-N 341.499 2.617 0 50 EFAA O=C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)[C@@H]2CCC[C@H]12 408523431 RQDDXPJOBLEEOP-DZGCQCFKSA-N 341.436 2.718 0 50 EFAA CNC(=O)c1cccc(CNC(=O)N2CC=C(C(C)(C)C)CC2)c1 270361875 KKEFBIVKKFFWOD-UHFFFAOYSA-N 329.444 2.934 0 50 EFAA COC(=O)c1cc(NC(=O)N2CCCO[C@@H](C)C2)cc(Cl)c1F 276807898 XUPCSBWMXALROK-VIFPVBQESA-N 344.770 2.908 0 50 EFAA NC(=O)c1cnn2c1C[C@@H](CNCc1cc3ccccc3s1)CC2 275730532 ZVGNUYMLVVGHCQ-LBPRGKRZSA-N 340.452 2.549 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)Nc2cc(C)cnc2OC)cn1 667173190 YRSFAZQLACXOBZ-ZBFHGGJFSA-N 344.415 2.721 0 50 EFAA O=C(NCc1ccn2ccnc2c1)N[C@H]1CCOC2(CCCC2)C1 170047393 GAEUJCYQDYNLGN-HNNXBMFYSA-N 328.416 2.625 0 50 EFAA O=C(NCCN1CCCOCC1)Nc1ccc(CC(F)(F)F)cc1 170602943 YDAZUYOWUSBDMY-UHFFFAOYSA-N 345.365 2.635 0 50 EFAA CO[C@]1(C)C[C@@H](N(C)C(=O)Cc2sc(S)nc2C)C1(C)C 170645195 XZNIIALUOAJQMX-IAQYHMDHSA-N 328.503 2.945 0 50 EFAA Cc1cc(C)c(NC(=O)N2CC[C@@H](CO)C2)cc1Br 187538963 IDHPLVVHFSWYAA-LLVKDONJSA-N 327.222 2.912 0 50 EFAA C[C@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCOCC2)ccn1 189906300 HCECOMKDYNNFOU-HNNXBMFYSA-N 337.423 2.505 0 50 EFAA Cc1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1C(=O)NC(C)C 192507332 USUCXUQWLHKVDB-UHFFFAOYSA-N 343.471 2.946 0 50 EFAA C[C@@H](c1ccc(Br)cc1)N1CCN(CCC(=O)O)CC1 86730121 FGZJNOLHDQWUKC-LBPRGKRZSA-N 341.249 2.602 0 50 EFAA Cc1c(-c2ccccc2)noc1NC(=O)c1cnc2ccccn2c1=O 1529167330 JYRQLEFRIDVDSI-UHFFFAOYSA-N 346.346 2.910 0 50 EFAA COc1cccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 199342 OGUUZUVQQOLHJP-MHWRWJLKSA-N 326.327 2.927 0 50 EFAA Cc1ccccc1[C@H]1CN(Cc2cccc(C(=O)O)c2)C[C@@H]1C(=O)O 219313739 UQHVAAAAOFOEGM-MSOLQXFVSA-N 339.391 2.993 0 50 EFAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)o2)cc1 1775979844 ZQIYPJUKNBHYHJ-QDMKHBRRSA-N 327.380 2.798 0 50 EFAA COc1cc(F)ccc1CN1CCC(c2ccn(C)c(=O)c2)CC1 1772807851 CMDADPLRXPYBQU-UHFFFAOYSA-N 330.403 2.913 0 50 EFAA COc1ccc(-c2noc(CNC(=O)C3CCCCC3)n2)cc1OC 5346593 HKHZDRFBEQVXJZ-UHFFFAOYSA-N 345.399 2.950 0 50 EFAA CCOC(=O)c1c(N)n(Cc2ccccn2)c2nc3ccccc3nc12 12524377 OGUVDWJOFXIZDZ-UHFFFAOYSA-N 347.378 2.787 0 50 EFAA COCCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1 12588316 KAWYMCIOWXGHGI-MRXNPFEDSA-N 336.451 2.575 0 50 EFAA CC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 16625028 PTEFTOALEVUCHU-UHFFFAOYSA-N 342.436 2.529 0 50 EFAA O[C@@]1(Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)CCCNC1 1857688439 JRVPQRJSDKRLME-SFHVURJKSA-N 342.830 2.866 0 50 EFAA CC(C)=CCN1CCC(N[C@@H](c2nc(C)no2)C2CCOCC2)CC1 328627941 NEYVVHDIYXHGMH-GOSISDBHSA-N 348.491 2.866 0 50 EFAA CC(=O)N1CCCC[C@H]1C(=O)NCCOc1cccc(C(C)(C)C)c1 330455764 FCLZBUXNJHXSDS-SFHVURJKSA-N 346.471 2.880 0 50 EFAA C[C@@]1(c2ccccc2)CN(C(=O)c2cccc(C(=O)O)c2)CCO1 237367934 PYJPWUMEDHGZPX-IBGZPJMESA-N 325.364 2.773 0 50 EFAA COc1cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)on1 660159273 ZJXZYKUICUSDNV-CQSZACIVSA-N 340.326 2.858 0 50 EFAA O=C(O)C1(C(=O)NCC2CCN(CC3CC3)CC2)CCCCCC1 663144015 PAQOXDJKTRWQKT-UHFFFAOYSA-N 336.476 2.650 0 50 EFAA CCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 249906612 XIFPTYYNPGOLNC-RMEBNNNOSA-N 330.421 2.590 0 50 EFAA biogenic CCCn1cc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cn1 152692157 PHSNXUWEPOSNAI-INIZCTEOSA-N 332.835 2.842 0 50 EFAA O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC([C@@H]2CCOC2)C1 377013149 MWNXRVBYUCQVLI-LLVKDONJSA-N 331.803 2.839 0 50 EFAA CCn1cc(NC(=O)c2cn(C)nc2C2CCCCC2)ccc1=O 263781403 OPWGJTIGLXMDPR-UHFFFAOYSA-N 328.416 2.902 0 50 EFAA CC(C)(C)S(=O)(=O)CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 163260701 BVCMLTUDHPVMRT-MRXNPFEDSA-N 335.469 2.878 0 50 EFAA Cc1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2)oc1C(=O)O 902383080 SGTPVXROVRDOGP-NSHDSACASA-N 336.338 2.933 0 50 EFAA CC(=O)Nc1ccccc1CNC(=O)[C@]1(c2ccccc2)CCCO1 933492924 DVGVRLLDMNRSRI-HXUWFJFHSA-N 338.407 2.967 0 50 EFAA O=C(c1ccc(Cl)c2occc12)N1CCO[C@H](c2ncon2)C1 935329316 MIYSRKSAJXSFDP-LBPRGKRZSA-N 333.731 2.683 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)Cc2c[nH]nc21 952877183 MFLTXBKEPLWDLP-QMMMGPOBSA-N 329.784 2.510 0 50 EFAA O=C(O)[C@]1(C2CCOCC2)CCN(Cc2ccc3ncccc3c2)C1 1875283302 NFTPPUJXMBWLFW-HXUWFJFHSA-N 340.423 2.938 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 1875363430 VPIDUCSSQUUUNW-QGZVFWFLSA-N 330.403 2.744 0 50 EFAA N=c1nc(N2CCc3ccc(Cl)cc32)[nH]c(=Nc2ccccc2)[nH]1 1875321825 XEPIDQXGFIOSQK-UHFFFAOYSA-N 338.802 2.797 0 50 EFAA CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/CN(C)C 1875375355 AWIKSKJJTBWKOH-VMPITWQZSA-N 334.445 2.655 0 50 EFAA O=C(C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1)N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 1875340975 BERZXJQNOHJGMI-MGYGNFHQSA-N 334.504 2.724 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc3n(n2)CCCO3)C2CCC2)cc1 885405477 XJDCYOIOCWBKQJ-GOSISDBHSA-N 341.411 2.945 0 50 EFAA CCOc1cc(CNc2ccc(=O)n(C)n2)ccc1OCC(C)C 888095182 MCUIIGKXIWRYSX-UHFFFAOYSA-N 331.416 2.826 0 50 EFAA Cc1ccccc1[C@@H](C)NC(=O)N1CCC(N(C)C[C@H](C)O)CC1 891391669 VEHWXDAYOVIVOU-JKSUJKDBSA-N 333.476 2.543 0 50 EFAA O=S1(=O)CC[C@@]2(CCCN(c3cc(C4CC4)nc(C4CC4)n3)C2)C1 894082714 GPNFHLAOIGAZJC-GOSISDBHSA-N 347.484 2.637 0 50 EFAA Cn1cncc1CNC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 894915211 KWHDSXHUHYYAMO-IBGZPJMESA-N 338.411 2.570 0 50 EFAA CC[C@@]1(O)CCCN(C(=O)c2ccc(OC3CCN(C)CC3)cc2)C1 1775994721 MDIJHBZCUZCYQW-HXUWFJFHSA-N 346.471 2.537 0 50 EFAA CCc1ccc(S(=O)(=O)N(CCO)Cc2cccs2)s1 952983552 HDDDJEWOVBPQMK-UHFFFAOYSA-N 331.484 2.555 0 50 EFAA Cc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 1056878 LRMRNEPFNCIFFU-ZDUSSCGKSA-N 342.376 2.512 0 50 EFAA C[C@@]1(NS(=O)(=O)c2cnc(-c3ccccc3)o2)CCO[C@H]1C1CC1 2325782607 NJXUEHTUWNDZSP-DOTOQJQBSA-N 348.424 2.578 0 50 EFAA COc1ccc(-c2noc(-c3sc([C@@H]4CCNC4)nc3C)n2)cn1 2325787399 YZROZNGKIRQLFV-LLVKDONJSA-N 343.412 2.649 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@@H](N(O)c2ccccc2)C1=O 146747 OEYJYVYTFSKKEI-OAHLLOKOSA-N 326.352 2.613 0 50 EFAA O=S(=O)(Nc1ccc(Br)cn1)c1ccc(F)cc1 269922 QEYMBOPQRYYMRY-UHFFFAOYSA-N 331.166 2.784 0 50 EFAA Cc1ccc(CN(C)CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cc1 2356155133 YKVVYDJDMGFILX-QUCCMNQESA-N 330.472 2.580 0 50 EFAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4122166 RIDRAXLVGKRJCK-KRWDZBQOSA-N 340.379 2.713 0 50 EFAA CCn1c(C[C@H]2C(=O)N(C)c3ccccc32)nc2ccccc2c1=O 4855019 ZZCPNNOSKBHBIW-OAHLLOKOSA-N 333.391 2.719 0 50 EFAA COc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O 6701266 KEDCYJDGYHCTFC-UHFFFAOYSA-N 334.803 2.503 0 50 EFAA CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 225494919 ZWTDFFYXNUSBAI-KBPBESRZSA-N 342.399 2.768 0 50 EFAA Cc1cccc(F)c1NC(=O)NC1CCN(C[C@H]2CCOC2)CC1 133550263 CAZDXTHNHSJRNH-CQSZACIVSA-N 335.423 2.757 0 50 EFAA C[C@@H](c1ccccn1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 172393185 LQOYSPMRPJTWBR-NSHDSACASA-N 325.343 2.895 0 50 EFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(C)c1 100395451 HSXSHJSGWYFXHH-DFEHZGFQSA-N 340.423 2.663 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)OC[C@H]1CCCCO1 247018047 CNPLPJUQCQRXGU-BBWFWOEESA-N 349.475 2.675 0 50 EFAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nnn[nH]5)(C4)C2)C3)cc1 107165867 JAZYYAXZYOQQFL-CXTCDGGRSA-N 337.427 2.985 0 50 EFAA COc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c(F)c1 67946399 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338.860 2.731 0 50 EFAA CCCn1ncc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)c1C 65399396 PFQOGAGLONCQQT-UHFFFAOYSA-N 345.418 2.864 0 50 EFAA CCCn1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2C)cn1 1404131543 CXPGWDQQEYQEHS-HUUCEWRRSA-N 342.443 2.538 0 50 EFAA Cc1cccnc1CN1CCN(C2CC(C)(C)NC(C)(C)C2)CC1 67559959 TWTRJWYZRJQBMM-UHFFFAOYSA-N 330.520 2.817 0 50 EFAA C1CCN([C@@H]2[C@H]3OCC[C@H]3[C@H]2NC2CCN(C3CCCC3)CC2)CC1 1074593710 NSYLWNLWFZWGDF-WOZUAGRISA-N 347.547 2.625 0 50 EFAA CC(C)n1ccc(C(=O)N2CCN(c3cncc4ccccc34)CC2)n1 281478531 DWLNYKCHUPMJEM-UHFFFAOYSA-N 349.438 2.975 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)[C@H](C)c3ccsc3)CCO2)o1 328613376 RVGLNYFJUWYWFL-DGCLKSJQSA-N 335.429 2.958 0 50 EFAA O=C([C@@H]1CCOc2ccccc21)N1CC[C@@H](OCc2ccncc2)C1 172246043 ARTRWBAWSYCLOW-SJLPKXTDSA-N 338.407 2.765 0 50 EFAA CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 77319984 KYEVUOYBUMESMF-UHFFFAOYSA-N 347.465 2.828 0 50 EFAA Fc1cc(F)cc([C@H]2CN(Cc3c[nH]cn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72169521 RYJJYCCBKZXZAI-GUDVDZBRSA-N 344.409 2.750 0 50 EFAA O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc2[nH]ncc2c1 172321995 OVTZHJYONKBIFO-UHFFFAOYSA-N 328.416 2.537 0 50 EFAA Cc1ccc2[nH]c(=O)cc(C(=O)N(C)Cc3cnn(C(C)C)c3)c2c1 216368720 SPJBOASMCKTSNB-UHFFFAOYSA-N 338.411 2.886 0 50 EFAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 1074606233 XGHQULWXTKWYLB-NBMRYCAZSA-N 342.395 2.519 0 50 EFAA CN1CC[C@]2(CCCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 72436054 WNMKOFNVQAVGGW-OAQYLSRUSA-N 344.499 2.948 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 282439580 JKSBWKQIJCYHKY-MAUKXSAKSA-N 329.371 2.711 0 50 EFAA O=C(O)C1(n2cnc3ccccc32)CCN(c2ncccc2F)CC1 72463538 BRQBDVXUGXHXIC-UHFFFAOYSA-N 340.358 2.651 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3CC34CCNCC4)cc12 366476283 RFMMZJBSZRNIFU-CYBMUJFWSA-N 332.473 2.630 0 50 EFAA Cc1cccc(C2(C(=O)N3CCC([C@H]4C[C@H](N)CCO4)CC3)CC2)c1 333328154 VQQMKSHZVQDUJT-RTBURBONSA-N 342.483 2.772 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)CNc1cccc(-n2ccnn2)c1 132315712 COYMKYDAIMJQOC-AWEZNQCLSA-N 333.395 2.657 0 50 EFAA O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1cnn(C[C@H]2CCCO2)c1 242038602 VMKRQICUSKYFHW-JQHSSLGASA-N 340.427 2.987 0 50 EFAA COc1ccc(C2CCN(C(=O)[C@@H]3CC34CCNCC4)CC2)cc1 261954243 QMOPJRZUDNKAPT-SFHVURJKSA-N 328.456 2.791 0 50 EFAA Cn1cc([C@@H](NC(=O)Cc2ccccc2C(=O)O)C(C)(C)C)cn1 262099115 DHRKUYKMHQADAJ-MRXNPFEDSA-N 329.400 2.564 0 50 EFAA CCC(CC)(CNC(=O)c1ccccc1Cn1cccn1)C(=O)O 262237385 ZIRKCLKWYZQBFS-UHFFFAOYSA-N 329.400 2.552 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1ccc(-n2cccn2)cc1 237986822 LXIYHPHLIPJKMG-MRXNPFEDSA-N 341.411 2.661 0 50 EFAA Cn1cncc1CNC[C@@H]1CCN(c2cccc(Br)c2)C1 237932589 PVXYRIBVWQPPAG-ZDUSSCGKSA-N 349.276 2.799 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c(C)n1C1CC1 376145067 RMOIGSKCHHPMTR-AWEZNQCLSA-N 339.443 2.832 0 50 EFAA Cc1cnc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)[nH]1 215080091 MDLKZVDROKWJPQ-UHFFFAOYSA-N 326.444 2.556 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 238076771 ZFGVOUDBRCDWBP-INIZCTEOSA-N 326.396 2.668 0 50 EFAA COc1ccc(CCCC(=O)N2CC([C@@H]3CCOC3)C2)c(OC)c1 377070131 YSXHHTQMWKDMCJ-OAHLLOKOSA-N 333.428 2.521 0 50 EFAA CO[C@@H]1C[C@@H](NCc2ccncc2OC[C@@H]2CCOC2)C12CCC2 453227916 OGCBMJPXVYVGJC-ZTFGCOKTSA-N 332.444 2.544 0 50 EFAA CSCc1ccc(N2CCC([C@@H](C)N3CCN(C)CC3)CC2)nc1 82098918 LBFZQJJKQLVKFH-MRXNPFEDSA-N 348.560 2.797 0 50 EFAA CCc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1 160173203 UWYCIWIWOGIANB-OAHLLOKOSA-N 332.363 3.828 0 50 EFAA OC[C@@H]1CCCN(c2cc(N3Cc4cccc(Cl)c4C3)ncn2)C1 288597762 SYAKILSVOHBIQA-CYBMUJFWSA-N 344.846 2.859 0 50 EFAA CCN1C[C@H](C(=O)NCCc2cccc(Cl)c2Cl)CC1=O 46205991 JGZPBJBLEHPQCI-LLVKDONJSA-N 329.227 2.521 0 50 EFAA Cc1cc(C(=O)N2CCCN(Cc3c(C)noc3C)CC2)c(C)o1 197528862 PJHLXQMCAGSZIJ-UHFFFAOYSA-N 331.416 2.849 0 50 EFAA Cc1cc(=O)[nH]c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 220234169 YSEJBORUWMDNDB-UHFFFAOYSA-N 347.418 2.647 0 50 EFAA CCCc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)no1 223313516 YJBQPOXIMKMJMR-SJORKVTESA-N 348.374 2.733 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2=O)cc1 82172153 ZGGMGPMSGWIKQD-UHFFFAOYSA-N 337.423 2.550 0 50 EFAA O=C(NCCCC[C@@H]1CCCO1)N1CCC(Oc2ccncc2)CC1 426689062 BRROUCRLOHIWII-MRXNPFEDSA-N 347.459 2.984 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)c3cn4ccsc4n3)c2c1 92028174 IIMJHJADNGYVHC-UHFFFAOYSA-N 340.408 2.858 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 95506018 OSWNVAOHKUQZTH-CQSZACIVSA-N 346.431 2.661 0 50 EFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C2CCCCC2)C1 91519091 GHOBTEKTCSTWRK-OAHLLOKOSA-N 328.464 2.572 0 50 EFAA C[C@@H]1CN(C(=O)NCC2CCCCC2)CC[C@@]1(O)C1CCOCC1 91424808 QDRUDZHLRKGDPL-BEFAXECRSA-N 338.492 2.776 0 50 EFAA COCCN1CCC(CN(C)C[C@H]2CCOc3ccccc3C2)CC1 95526871 JPOADCUGMNVMTR-IBGZPJMESA-N 346.515 2.918 0 50 EFAA COc1ccc2c(c1)OC[C@H](Cc1cc(N3CCCC3)cnn1)C2 91849086 OTUGNHUOMGPWRL-AWEZNQCLSA-N 325.412 2.879 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1O)CC2 91998075 ZLMNAMPJGWGRTL-UHFFFAOYSA-N 330.428 2.565 0 50 EFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1C(=O)O 237687408 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NZMNAKAARNPSTR-ZDUSSCGKSA-N 336.461 2.618 0 50 EFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N(CCO)Cc1ccco1)(C3)C2 952873068 FUBXBDFUPFBHMW-XWPNQZOQSA-N 347.455 2.712 0 50 EFAA COc1cc(NC(=O)c2cn(C)nc2C)ccc1NC(=O)CC(C)C 952980248 DOWDAEKGAUWLOU-UHFFFAOYSA-N 344.415 2.974 0 50 EFAA CCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1 952983653 UNHWYLZAZBMJTQ-UHFFFAOYSA-N 330.881 2.588 0 50 EFAA COc1ccc([C@H](O)CNC(=O)c2c[nH]nc2-c2ccccc2)cc1 303050562 PUDBULXCWVSACP-QGZVFWFLSA-N 337.379 2.549 0 50 EFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 408247954 QTOGMBCATNFKTC-SFHVURJKSA-N 347.484 2.851 0 50 EFAA C[C@@H](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCCNC1 170039406 UKXHAFXBCCVVKY-LSDHHAIUSA-N 329.444 2.778 0 50 EFAA COc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)nn1C 170598711 MJWOTIWLZVBOCL-UHFFFAOYSA-N 334.426 2.795 0 50 EFAA COCc1noc(CSc2nnc3c(Cl)cc(Cl)cn23)n1 170592224 AOEWLRCANMPIIO-UHFFFAOYSA-N 346.199 2.858 0 50 EFAA COC[C@@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 185633531 AMROEGMIGBPFAZ-KBPBESRZSA-N 332.213 2.732 0 50 EFAA COc1cccc(F)c1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 186132408 SVSIZNNZIUYVQG-MRXNPFEDSA-N 343.358 2.539 0 50 EFAA CC1CC(n2nnc3c2CN(Cc2cccc(C(=O)O)c2)CC3)C1 635018966 PSTDOZWVPBOLDT-UHFFFAOYSA-N 326.400 2.506 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CCOc3cc(O)ccc3C2)c1C 672243191 GKAZIHVUFDLQPT-LBPRGKRZSA-N 329.400 2.903 0 50 EFAA Cc1cc(C)c(N2CC[C@H](N(C)Cc3noc(C)n3)C2=O)c(C)c1 191070203 QPCAIVVZFNNZON-HNNXBMFYSA-N 328.416 2.541 0 50 EFAA Cc1cc(C)n(-c2ccc(-c3noc(-c4snnc4C)n3)cn2)n1 193311276 RVTMIXCQIHZPPB-UHFFFAOYSA-N 339.384 2.761 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 193442049 ZALDSVIKZXMODR-UHFFFAOYSA-N 346.456 2.583 0 50 EFAA Fc1ccc(CCN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1F 660592940 ZADJLOMFQFAJBV-AWEZNQCLSA-N 343.381 2.736 0 50 EFAA Cc1cc(C)c2c(c1)CN(CN1C(=O)CC3(CCCC3)C1=O)CC2 776776091 VEQXYPDJHJOWMP-UHFFFAOYSA-N 326.440 2.938 0 50 EFAA CC(C)n1cc([C@]2(O)CCN([C@H](C)CCc3cccc(F)c3)C2)nn1 794018124 FGWMCZDECDTMGP-BEFAXECRSA-N 346.450 2.913 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(C)n3C(F)F)CCN21 1616082621 NSYWQUQTTZSEMY-KGLIPLIRSA-N 341.402 2.517 0 50 EFAA Cn1cc(Cl)c(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)n1 1264781355 AMZSDNYQNWPPEV-UHFFFAOYSA-N 337.170 2.764 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 215621020 XBHXQLLIEBPCMH-SNVBAGLBSA-N 337.272 2.645 0 50 EFAA Cn1cnc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)ccc21 1506420320 CBTYTUCCXRZSIE-HNNXBMFYSA-N 348.406 2.703 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(CCS(=O)(=O)c1ccccc1)C2 1704338433 ACFJJGPFEGTVNK-QZTJIDSGSA-N 337.485 2.741 0 50 EFAA CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 454001 UNCDBIXRIDTHBO-UHFFFAOYSA-N 337.423 2.998 0 50 EFAA CC(C)(C)OC(=O)/C(=C1\CCCN1)S(=O)(=O)c1ccccc1F 1775973459 RJEUGFSCDZUYPO-OWBHPGMISA-N 341.404 2.536 0 50 EFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCCCCC1 12836720 VMRDMBGCXRKBRL-OAQYLSRUSA-N 344.499 2.849 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cn(C2CCCCC2)nn1 14959094 XYOFMZMBYQKSCA-OAHLLOKOSA-N 348.447 2.731 0 50 EFAA CCCCOc1ccc(N2C(=O)C[C@@H](N3CCSCC3)C2=O)cc1 19772006 KGOWVZDALVBALO-MRXNPFEDSA-N 348.468 2.546 0 50 EFAA COc1ccc2c(Cl)c(C(=O)NN3CCOCC3)sc2c1 4750381 YJCBKORTMRHMQP-UHFFFAOYSA-N 326.805 2.540 0 50 EFAA Cc1cccc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 4839574 NIHOEBSJOJZSER-MRXNPFEDSA-N 347.436 2.726 0 50 EFAA Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1 4869985 JMTREWREMVTXTO-UHFFFAOYSA-N 339.420 2.973 0 50 EFAA COc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1 4511528 GERLUKQWGAJOSB-UHFFFAOYSA-N 325.364 2.832 0 50 EFAA Cc1cccc2c1CCN(C(=O)c1n[nH]c3c1C[C@@H](C)O[C@H]3C)C2 1857529333 RVKOSUKDNMJQMF-OLZOCXBDSA-N 325.412 2.939 0 50 EFAA CC[C@@]1(C(=O)NCCc2nc3ccc(C)c(C)c3[nH]2)C[C@@H]2CC[C@H]1N2 1857708175 JEQPFFQNYCUQGK-YYFZDKIDSA-N 340.471 2.759 0 50 EFAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857709989 BTHHYVOMMYKAQI-NQIIRXRSSA-N 348.402 2.527 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccncc2Cl)CC1 408474332 QKIYFNBAXULPKY-BBRMVZONSA-N 337.851 2.589 0 50 EFAA O[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 2526779 LVXYAFNPMXCRJI-SFHVURJKSA-N 329.419 2.857 0 50 EFAA in-vitro CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)C1 126289406 YVLQGKVLXYQXFR-SJORKVTESA-N 329.444 2.784 0 50 EFAA Cc1ccnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 337776522 QJOGFQZAYHBLBP-UHFFFAOYSA-N 331.319 2.913 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1CC[C@H](CO)CC1 245649140 JLLKGWUFFGCHSK-KOMQPUFPSA-N 325.412 2.733 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H]1Cn1cncn1 370988989 AHDYYGWHQNWESY-INIZCTEOSA-N 349.394 2.770 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 375575873 CICSOJHUHNAOEI-YLJYHZDGSA-N 340.471 2.768 0 50 EFAA O=C1CC[C@@H](c2ccc(OCc3nnc4n3CCCCC4)cc2)N1 902786960 NPFVCCJHXINUOZ-HNNXBMFYSA-N 326.400 2.535 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N[C@]12CCC[C@H]1CNC2 904442037 CJIRWEGNJYERKH-LNSITVRQSA-N 345.340 2.870 0 50 EFAA Cc1csc([C@H]2CN(C(=O)c3cccc4c3CCOC4)CCO2)n1 935853490 VGRULFJXZAUMSP-MRXNPFEDSA-N 344.436 2.738 0 50 EFAA Cc1cc(OCCN(C)C)ccc1NC(=O)Cc1ccc(F)cn1 952845713 JGAUQLCEMVKHTQ-UHFFFAOYSA-N 331.391 2.651 0 50 EFAA O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2ncnc(O)c12 952884239 WIAGWLRLELNZGU-DOMZBBRYSA-N 339.395 2.699 0 50 EFAA COCC(C)(C)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891589 GTXFGHQHXHAKEJ-UHFFFAOYSA-N 347.390 2.648 0 50 EFAA Cc1cccc([C@@H](CNCc2cnc(C)nc2C)N2CCOCC2)c1 952992825 SDECUGGQHATSMV-HXUWFJFHSA-N 340.471 2.565 0 50 EFAA CC[C@H]1CCCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875301050 BBUFBPCGXQTRTF-YHUYYLMFSA-N 344.521 2.858 0 50 EFAA CCCCNC(=O)[C@H](CC)NC(=O)[C@H](C)Oc1cccc(Cl)c1 1875344182 GVJYTJSDUYPMBL-WFASDCNBSA-N 340.851 2.918 0 50 EFAA CC(C)(C(=O)O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1 1875305905 MBRQXMLNLQJVAT-MRXNPFEDSA-N 344.455 2.801 0 50 EFAA CC(C)[C@H](C(=O)O)C(=O)NCc1cc(-c2cccc(Cl)c2)on1 1875300535 HCHIYYKGODQCRU-AWEZNQCLSA-N 336.775 2.968 0 50 EFAA Cc1cccc2sc(N3CC[C@@H](c4cc(O)nc(O)n4)C3)nc12 894377372 MXIZCCZUYPVEJP-SNVBAGLBSA-N 328.397 2.800 0 50 EFAA CCc1ccc(-c2n[nH]c(SCC3(C)CS(=O)(=O)C3)n2)cc1 1775992040 WUWJAAKBDMWBPG-UHFFFAOYSA-N 337.470 2.561 0 50 EFAA CC[C@@H](NC[C@@H]1C[C@H](OC)CN1c1cc(C)ncn1)c1ccncc1 1775960323 FWCDHRHPLIPHGY-OKZBNKHCSA-N 341.459 2.515 0 50 EFAA CC(C)Cc1n[nH]c2ccc(C(=O)O[C@H](C)CN3CCOCC3)cc12 2325840150 RAZVSAMKYZWIFL-CQSZACIVSA-N 345.443 2.639 0 50 EFAA NC(=O)Nc1ccc(Cl)c(C(=O)NOCCOc2ccccc2)c1 2325866731 XWGPSBYRKWIBNA-UHFFFAOYSA-N 349.774 2.571 0 50 EFAA CC(C)c1n[nH]cc1C(=O)N1CC[C@@](C)(NC(=O)[C@H]2CCC2(C)C)C1 957356809 BFLZECVZBXHEAO-AUUYWEPGSA-N 346.475 2.690 0 50 EFAA Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1 473590 MNGHAJJMXNIRBF-UHFFFAOYSA-N 326.396 2.849 0 50 EFAA O=C(O)CCCn1cc(NC(=O)c2cc(F)c(F)cc2Cl)cn1 1424802 TYBYTSGQECJOHH-UHFFFAOYSA-N 343.717 2.932 0 50 EFAA CCOC(=O)c1cc(OC(=O)c2cccnc2)n(-c2ccccc2)n1 3957522 PZZQOXHKQFKWET-UHFFFAOYSA-N 337.335 2.663 0 50 EFAA CC[C@@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@H]1CC(=O)O 4565757 AJGVAXFKPKXRHA-CABCVRRESA-N 349.427 2.596 0 50 EFAA CC(C)CN1CCN(Cc2cccc3cnccc23)C[C@H]1CCO 104539680 PZIXHVCAAHSZJY-LJQANCHMSA-N 327.472 2.759 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c(F)c1 225679299 QPAIGYIYVVQVIT-CXAGYDPISA-N 333.334 2.922 0 50 EFAA O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCCCC2)CC1 55487251 RJLNYZBSRMALTO-UHFFFAOYSA-N 340.464 2.855 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)[C@@H](C)n2cnc3ccccc32)c1 171435558 QIADZZWAQJSGEU-GFCCVEGCSA-N 347.382 2.520 0 50 EFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc4ncccc4c3)ccc21 346772118 NQHPRYCYIXUJFI-UHFFFAOYSA-N 332.363 2.678 0 50 EFAA Cn1cc([C@H]2CCCN2C(=O)NCCc2cc3ccccc3[nH]2)cn1 136681003 BKOVWJRZNWUVTM-GOSISDBHSA-N 337.427 2.991 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)no1 67769684 ABSBKZNHNQLOSB-UHFFFAOYSA-N 336.395 2.944 0 50 EFAA O=C(Cc1noc2ccccc12)Nc1ccc(-n2cncn2)c(F)c1 351944260 KCUSBSSHKWXQTO-UHFFFAOYSA-N 337.314 2.729 0 50 EFAA COC(=O)C1(C)CN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 425133551 RRQSJXDZEQJOJS-UHFFFAOYSA-N 334.372 2.584 0 50 EFAA COCCC(=O)N1CCC(c2[nH]ncc2-c2cccc(OC)c2)CC1 67739624 WLGGKLANZXPOBZ-UHFFFAOYSA-N 343.427 2.828 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CCO2)cn1 252476904 DNPDESWSIOTWMU-CUSZFKRNSA-N 331.460 2.927 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(F)cc2cccnc12 328655763 YQTYNYTYBFOHCJ-IFXJQAMLSA-N 340.402 2.975 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)c2cc3ccccc3o2)o1 328616070 ZYUHYUFHRZWEMD-SMDDNHRTSA-N 341.367 2.828 0 50 EFAA CNC(=O)CC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 253429416 SCXWXDWGVQRMNM-YCRPNKLZSA-N 336.435 2.728 0 50 EFAA CCCN1C[C@H](Nc2cc(-c3ccccc3)nc3ccnn23)CC1=O 72134339 HOPQGYMZTDMHOK-OAHLLOKOSA-N 335.411 2.819 0 50 EFAA CN(CCN1CCCC1)c1nc(C2CCCC2)nc2c1cnn2C 72158990 KWUSKQRMLKZDMD-UHFFFAOYSA-N 328.464 2.553 0 50 EFAA CCN(Cc1cc(C2CCCCC2)no1)[C@H]1CCS(=O)(=O)C1 77390590 VNYJIUDDJOVCQR-AWEZNQCLSA-N 326.462 2.731 0 50 EFAA CC(=O)c1cccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1 363129872 NDBSMCZMFGCFOF-CQSZACIVSA-N 326.400 2.719 0 50 EFAA Cc1cc(NC(=O)N2CCC(c3c[nH]nc3C)CC2)ccc1C(N)=O 375532492 JZXHSQJQORGUDG-UHFFFAOYSA-N 341.415 2.537 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376185115 DEZJBAMNSGULJF-MSOLQXFVSA-N 349.434 2.730 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1noc(C2CCC2)n1 217093645 LQDPJXGFVUAFNS-LBPRGKRZSA-N 331.420 2.577 0 50 EFAA CCOCCn1nc(C)cc1C(=O)N1CCC[C@@H]1c1ccccn1 77488379 SORJLTMQYNLDQV-MRXNPFEDSA-N 328.416 2.600 0 50 EFAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCC12CCC(CO)CC2 371473573 QGXMBSMRRIQDLJ-RVSXGSNBSA-N 329.440 2.958 0 50 EFAA Cc1cnc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)cn1 72426095 FRMREHNXLRFVTA-UHFFFAOYSA-N 338.455 2.564 0 50 EFAA OCc1ccc(CN2CCC[C@H](Cc3nnc4ccccn34)C2)cc1 375116185 UGDGOTXUCWGKSW-GOSISDBHSA-N 336.439 2.676 0 50 EFAA CCc1nn2c(=O)cc(CN3CC[C@H]4CCCC[C@H]4C3)nc2s1 242324429 ZBEZTTKOQAXSTE-OLZOCXBDSA-N 332.473 2.726 0 50 EFAA Cc1cccc2c(CC(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c[nH]c12 237756562 XYXBQQIPHXCGLG-HNNXBMFYSA-N 344.411 2.501 0 50 EFAA CCn1cnnc1[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 283357215 YGZYVIPKGDWPBB-NSHDSACASA-N 338.864 2.962 0 50 EFAA COC(=O)[C@H]1CC12CCN(C(=O)c1cc(O)c3ccccc3c1)CC2 241657620 PXUFQABOBIYKDN-MRXNPFEDSA-N 339.391 2.961 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 241720887 QTDHISYLSCABNF-USXIJHARSA-N 346.475 2.686 0 50 EFAA CCc1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc(C)n1 174213242 XWGTYGPOPRAABX-CQSZACIVSA-N 338.411 2.877 0 50 EFAA Cc1nc2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc2nc1C 45848870 IDKTYNGXJXVIGS-INIZCTEOSA-N 333.391 2.980 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)[C@@H](C)c3c(C)n[nH]c3C)c12 132481786 QMXFUTSLMIVOCE-NSHDSACASA-N 340.427 2.979 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C1 286622442 CMXBMZTUGHUHDZ-RVMXOQNASA-N 348.472 2.776 0 50 EFAA CN(C)c1ccc(CC(=O)N2CCCC[C@H]2CCn2cccn2)cc1 82115367 UJPPHTCCJKLCDG-IBGZPJMESA-N 340.471 2.963 0 50 EFAA O=C(N[C@@H]1CCSC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 287967645 LSWNMVLZAQNKQO-NCOADZHNSA-N 332.469 2.706 0 50 EFAA O=C(NCC[C@@H]1CCCC[C@@H]1O)Nc1cc(Br)ccn1 1364370667 LNXHABOAVMBJML-JQWIXIFHSA-N 342.237 2.907 0 50 EFAA Cc1ccc(CN2CCN(C(=O)NCc3ccco3)[C@H](C)C2=O)cc1 426551728 AZYGDQKGUXYOTL-OAHLLOKOSA-N 341.411 2.531 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CNc1ccccc1Cl)[C@@H]1C[C@@H]31 239415443 UMDAVQUXEITNGP-YRWVIOBZSA-N 328.799 2.763 0 50 EFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)Cc3ccon3)CC2=O)cc1 91381079 BTZNQHXGLZCREN-OAHLLOKOSA-N 341.411 2.810 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 178817508 RTGIVJMUKFXDKT-PXNSSMCTSA-N 345.406 2.720 0 50 EFAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 426618118 KRJDNEZAMNCUFB-ZDUSSCGKSA-N 335.354 2.626 0 50 EFAA COCC[C@]1(O)CCN(C(=O)C2=Cc3ccccc3OC=C2)C[C@H]1C 91586476 BLYSYFWYMKDYLT-FOIQADDNSA-N 343.423 2.612 0 50 EFAA CCc1c(C)cc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)c(=O)n1C 97657222 ZAGPFSJTAYQLDA-INIZCTEOSA-N 346.471 2.677 0 50 EFAA CN(C(=O)CCc1nc(-c2ccco2)no1)C1Cc2ccccc2C1 346948440 IPLFMMIBPKVJSU-UHFFFAOYSA-N 337.379 2.888 0 50 EFAA O=C(O)C[C@@H]1C[C@@H]2[C@@H]3C[C@H](CC(=O)O)[C@@H]4[C@@H]5C=C[C@@H]6[C@@H]5[C@@H]([C@H]43)[C@@H]2[C@H]16 247353739 CSFXZVCEJJRBRM-WCFXMFLOSA-N 328.408 2.748 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 181907325 VIYZZVVIEZMPAK-INIZCTEOSA-N 331.391 2.778 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3nccn3C)c12 298135925 ZGWOCQVJYXUHPI-UHFFFAOYSA-N 327.388 2.660 0 50 EFAA COC(=O)c1coc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 184077092 VUVNRSWAUBYZLZ-HNNXBMFYSA-N 340.379 2.691 0 50 EFAA Cc1noc([C@H]2CCCCN2C(=O)NCCOc2ccccc2)n1 287035788 IDVGLKDPGQGZAS-OAHLLOKOSA-N 330.388 2.694 0 50 EFAA C[C@@H](CCC(=O)NCc1nc(C(C)(C)C)cs1)N1CCOCC1 299793688 HKNWLQAHBMHZRS-ZDUSSCGKSA-N 339.505 2.558 0 50 EFAA O=C(C[C@@H]1CCCOC1)NCCc1csc(-c2ccncc2)n1 299768815 ZIJQUVOFOPKBJZ-ZDUSSCGKSA-N 331.441 2.681 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cnc(-c3ccccc3)nc1)CC2 299799095 VECIVBIMTWGWHI-CMKODMSKSA-N 339.439 2.648 0 50 EFAA Cc1cccc(NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)c1C 299779917 AWNJLGNTFLMERK-UHFFFAOYSA-N 343.349 2.932 0 50 EFAA CCCNc1ncc(CN2CCC(Oc3ccncc3)CC2)cn1 822969699 UKXWKDZYCROLFV-UHFFFAOYSA-N 327.432 2.737 0 50 EFAA O=C(c1cccc(-n2cccn2)n1)N1CCO[C@H](c2ccccc2)CC1 1337868299 YSHIDAKMDCGYES-SFHVURJKSA-N 348.406 2.871 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3oc(N(C)C)nc3c2)n[nH]1 163434504 VQMAYXOYZOBPME-JTQLQIEISA-N 342.403 2.678 0 50 EFAA O[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc2c(c1)OCO2 1565527180 LWIHRNGGJGBAHS-MSOLQXFVSA-N 325.408 2.808 0 50 EFAA C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCOC(C)(C)C1 408519500 HNZRCCGKYAQQIW-HZSPNIEDSA-N 340.464 2.563 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)C12CCC2 221869532 WQTITXMXYDULGO-LQKXBSAESA-N 336.432 2.739 0 50 EFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCOC2CCCCCC2)C1 170631186 GLXCTWXWSMWGCF-HUUCEWRRSA-N 332.510 2.538 0 50 EFAA CC[C@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)c1ccncc1 189248047 LMQPBBJKSJKRMN-HOTGVXAUSA-N 345.472 2.766 0 50 EFAA C[C@H](NCc1nc(N(C)C)no1)c1ccc(OCC2CC2)c(F)c1 192786073 YOEOATYGZYBSDR-NSHDSACASA-N 334.395 2.914 0 50 EFAA COc1ccccc1C1(NC(=O)Cc2cccc(C(=O)O)c2)CC1 649259324 ZWJDQKLGVUKXHT-UHFFFAOYSA-N 325.364 2.741 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCN2CC[S@@](=O)c2ccccc2)n1 199514580 LVVOTCCDYJGLDT-GAJHUEQPSA-N 331.485 2.772 0 50 EFAA Cc1cc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Br 613947 PMNZDSMLSXBIDA-VXGBXAGGSA-N 342.233 2.772 0 50 EFAA CN(C)C(=O)C1(NCc2sc(Cl)nc2Cl)CC(F)(F)C1 1875292317 DDXZWUFYSOJJAJ-UHFFFAOYSA-N 344.214 2.796 0 50 EFAA C[C@H](CNC(=O)CCc1ccccc1)NC(=O)CCc1ccccc1 2132216 FUCBFHQOYLVDDA-QGZVFWFLSA-N 338.451 2.873 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccco1 11878502 QHSPWQHVQHGXNT-INIZCTEOSA-N 334.375 2.964 0 50 EFAA CC[C@H](C(=O)Nc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13710998 OUKSXQNCJYERPX-MRXNPFEDSA-N 332.425 2.870 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 16649841 HKUWSZQAKWEQJK-UHFFFAOYSA-N 344.314 2.605 0 50 EFAA COc1cccc(OC[C@H](O)CN[C@@H](C)CC(C)(C)SC)c1 19884549 VCGPUPUUSGONAO-UONOGXRCSA-N 327.490 2.945 0 50 EFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 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FVFZPEKCXMSUCX-YOEHRIQHSA-N 327.432 2.587 0 50 EFAA CC(C)Oc1ccc(CNC(=O)[C@@H]2CCNC2)c(C(F)(F)F)c1 236709841 CIRXILQUGNQSPC-GFCCVEGCSA-N 330.350 2.718 0 50 EFAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 339188259 INBYZDNBTYVIMN-CABCVRRESA-N 327.384 2.593 0 50 EFAA FC(F)(F)Cc1nnc([C@H]2CCCCN2Cc2ncccn2)o1 341877655 PQUDURWEFHKENL-SNVBAGLBSA-N 327.310 2.692 0 50 EFAA CC[C@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)c1nccs1 151471312 SAABNAXOYMHBLL-HNNXBMFYSA-N 338.454 2.682 0 50 EFAA O=C(c1cccc(CO)c1)N1CCN[C@@H](c2ccccc2Cl)C1 368141229 NKKLHBJGWFZTLD-QGZVFWFLSA-N 330.815 2.619 0 50 EFAA Cc1cccc(OCC(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1 391794459 HSAAJDVFHJSBTO-AWEZNQCLSA-N 325.364 2.979 0 50 EFAA Cc1nnccc1C(=O)N1CCC[C@@H]1c1cncc(Br)c1 900662112 LKSMALWYNQUKCO-CQSZACIVSA-N 347.216 2.920 0 50 EFAA CC(C)[C@@H](N)c1noc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1 904499462 KBIWCEWADQRQBD-GFCCVEGCSA-N 343.353 2.868 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 932280319 UZGJQZSDKUCISM-UHFFFAOYSA-N 339.399 2.996 0 50 EFAA C[S@](=O)Cc1ccc(CN[C@@H]2[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]52)cc1 952877412 PTGINZVIZCVSAM-IARCXZKCSA-N 327.493 2.801 0 50 EFAA CN(C)c1cccc(CSc2nc3sccc3c(=O)n2C)n1 952964049 OQFHLZJVIZCDLG-UHFFFAOYSA-N 332.454 2.748 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4CCCC[C@@]4(CN)C3)n[nH]2)o1 1875287566 PEQMDBCGLCRCMK-SCLBCKFNSA-N 328.416 2.569 0 50 EFAA O=C(O)c1coc2cc(C(=O)N3CCCC[C@@H]3[C@H]3CCCO3)[nH]c12 1875405810 OUORWCIGVQVFDA-CHWSQXEVSA-N 332.356 2.633 0 50 EFAA CCn1cc(C(=O)N[C@@H](C)c2cncc(F)c2)c(C2CCOCC2)n1 886078113 MNFCJYSQFGAPGG-LBPRGKRZSA-N 346.406 2.822 0 50 EFAA COc1cc(-c2nnn(Cc3ccccc3C)n2)cc(OC)c1OC 117705 FHOLBKHWEDCGDV-UHFFFAOYSA-N 340.383 2.723 0 50 EFAA Cc1ccn(-c2ccc(-c3noc([C@H]4CNCC(C)(C)O4)n3)cc2)n1 2325780090 GUETWXIADNQVFJ-OAHLLOKOSA-N 339.399 2.670 0 50 EFAA CC(C)c1ccsc1C(=O)Nc1ccnc(N2CCNCC2)c1 2325796472 SMHIFOTVBAUPSB-UHFFFAOYSA-N 330.457 2.928 0 50 EFAA COc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)c1 308330 RCMUVFUYHGBHCV-UHFFFAOYSA-N 344.392 2.829 0 50 EFAA COCCN(Cc1cc(C)c(OC(C)=O)c(C)c1)Cc1cnn(C)c1 55282670 YPDYWWCGYWVHTR-UHFFFAOYSA-N 345.443 2.611 0 50 EFAA CCCc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)co1 225740269 LOOGHISRTMEJMY-CZUORRHYSA-N 330.384 2.584 0 50 EFAA CC(=O)c1cccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1 20542136 IBWQLOBZOAWKNQ-FQEVSTJZSA-N 332.488 2.804 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NCCN2CCCCC2)cc1 55271249 VUQGYKBXJRSMFX-UHFFFAOYSA-N 331.460 2.570 0 50 EFAA CCNc1ncc(C(=O)N(CCN2CCCCCC2)C(C)C)cn1 55254414 PJZPPBKPBDCVLW-UHFFFAOYSA-N 333.480 2.635 0 50 EFAA O=C(Nc1cnc2n1CCCC2)c1ccc(C(F)(F)F)nc1O 67847692 NGSZKMZHQXZJDM-UHFFFAOYSA-N 326.278 2.591 0 50 EFAA O=C(NCc1ccccn1)C1CCN(Cc2ccccc2F)CC1 20100491 PCARZMYCNORGMC-UHFFFAOYSA-N 327.403 2.749 0 50 EFAA COc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@@H](C)C2)c1 229127667 ZZARSPJSDFOYKN-PBHICJAKSA-N 338.473 2.809 0 50 EFAA CNC(=O)C1(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 280625113 HCEAPJJNLCEJLJ-AULYBMBSSA-N 340.345 2.594 0 50 EFAA Cc1cc(=NC(=O)Cc2cccc(OCC(F)(F)F)c2)[nH]nc1C 432659832 RDGKYQPFWYCFGF-UHFFFAOYSA-N 339.317 2.638 0 50 EFAA Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1nnnn1C1CC1 252494071 NKFQXWARKQGVNR-MRVPVSSYSA-N 344.400 2.524 0 50 EFAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc2nc(N(C)C)oc2c1 252511567 HZSMCBUDPVEWAZ-OCCSQVGLSA-N 343.431 2.594 0 50 EFAA O=C(NCc1cccnc1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 2781783 ZAMTZNZHVXQVAC-UHFFFAOYSA-N 343.337 2.869 0 50 EFAA OCc1ccc2c(c1)CN(Cc1cccc(Cn3cccn3)c1)CCO2 215717442 HKIBVOYKBOHOMO-UHFFFAOYSA-N 349.434 2.818 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)no1 219047536 HOLOKFHGINLNPD-KRWDZBQOSA-N 341.411 2.541 0 50 EFAA CC(C)c1noc([C@@H](N[C@@H](C)Cn2cccn2)C2CCOCC2)n1 328633096 SKSKMVOCFSOVFA-ZFWWWQNUSA-N 333.436 2.536 0 50 EFAA CCCc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)o1 77378819 YXEXUKWGFGGCCV-UHFFFAOYSA-N 345.491 2.802 0 50 EFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 253433351 VYWARDINPWPPFM-LSDHHAIUSA-N 344.419 2.754 0 50 EFAA Cc1ccc(C(=O)N2CCN(Cc3ccc4cn[nH]c4c3)CC2)s1 130478661 SETCKJIWAIFRSJ-UHFFFAOYSA-N 340.452 2.891 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(OC)c1 39543576 HQCQIYBMUFPTAS-GOSISDBHSA-N 348.487 2.515 0 50 EFAA CCN(CC(=O)Nc1cccc(Cl)c1N1CCOCC1)C1CC1 126140492 QWAQIQABWMPEHI-UHFFFAOYSA-N 337.851 2.599 0 50 EFAA O=C(CN1CCCC1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 129559878 ICCKQRCXEBVPQX-HNNXBMFYSA-N 328.412 2.562 0 50 EFAA CC(C)n1c(S)nnc1CNC(=O)[C@@H](c1ccccc1)C1CC1 153697442 DFBCSVDBIALUGS-HNNXBMFYSA-N 330.457 2.958 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)c2cnc(O)c(C#N)c2C)c1 77343400 VWSLVTVOQFGHFX-QGZVFWFLSA-N 337.379 2.953 0 50 EFAA CCCNc1ncc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)cn1 72123957 XFLHLFWUHOJICY-GOSISDBHSA-N 349.442 2.564 0 50 EFAA c1cnn(-c2ccc(CN[C@@H]3CCOC4(CCOCC4)C3)cc2)c1 77522135 KMDGYZVWTOOHJS-QGZVFWFLSA-N 327.428 2.690 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cnn3c2CCCC3)[C@H](C)C1 77386412 WFKFQNUAQQLMAD-MRXNPFEDSA-N 338.455 2.879 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 299750021 MKQLOXPWYQTWLK-RWMBFGLXSA-N 338.201 2.628 0 50 EFAA COCCCN1C[C@@]2(CCCN(c3ccnc(C)c3)C2)CCC1=O 72420332 NHPRTHWAIDSTQU-IBGZPJMESA-N 331.460 2.636 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCO[C@@H](c2cnn(C)c2)C1 375143562 WEVXRWZSPOQBEC-GOSISDBHSA-N 339.395 2.617 0 50 EFAA O=C(c1ccc(-n2cnnc2)cc1)N(CC1CCC1)C[C@@H]1CCCO1 216251272 ZVEIIFYBMCDWJW-SFHVURJKSA-N 340.427 2.689 0 50 EFAA Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 173449128 ZNNSEMWIXNGJIZ-KRWDZBQOSA-N 327.428 2.886 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccnc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 240912239 IWSVJONTRHKWBT-WCXIOVBPSA-N 332.469 2.698 0 50 EFAA O=C1CC[C@@]2(CCCN(c3cccnn3)C2)CN1Cc1ccccc1 72470630 UBWQAHZEMZXJRN-HXUWFJFHSA-N 336.439 2.886 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2cc(Cl)cc(F)c2N)c1 241231211 KTBNOSGWANMCLN-UHFFFAOYSA-N 346.753 2.598 0 50 EFAA Cc1nc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sc1C 44893046 PXIMLZGMYKEWIY-UHFFFAOYSA-N 340.408 2.622 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCCc1ccc(Cl)cc1 222337133 ZIYJAMHWIBRANN-IDCNUPLLSA-N 337.847 2.829 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(=O)O)cc1 263458871 VFNIZISXFDBXBE-MQVJKMGUSA-N 339.395 2.669 0 50 EFAA O=C(N[C@@H](CO)CN1CCCCC1)c1c(Cl)cccc1Cl 288394341 FRCDKPKJMBUQND-LLVKDONJSA-N 331.243 2.570 0 50 EFAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4ccccc4O)c(=O)n1c23 199908575 UOIZSJRNEWTNKQ-JTQLQIEISA-N 336.347 2.782 0 50 EFAA Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c(OCC2CC2)c1 291095960 SUVHRHDILHQQHS-SQNIBIBYSA-N 344.455 2.839 0 50 EFAA O=C(CCCOc1ccccc1)N1CCC[C@@H](Cn2ccnc2)C1 91829868 MMJVZNFCDTTXCH-KRWDZBQOSA-N 327.428 2.981 0 50 EFAA CNC(=O)CCCNC(=O)c1cccc(-c2cc(C)c(O)c(C)c2)c1 426371212 UJTMUMWCRFJRBS-UHFFFAOYSA-N 340.423 2.932 0 50 EFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cnn2c1CCCC2 179101680 FVYCFGRBYHZHEJ-UHFFFAOYSA-N 337.427 2.801 0 50 EFAA CC[C@H](C(=O)NCc1cc(-c2ccccc2F)no1)n1cccn1 91914605 FXTLDBZDTSWCPY-MRXNPFEDSA-N 328.347 2.945 0 50 EFAA CCS(=O)(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 92002015 KVSYXLNMZLPHHM-HNNXBMFYSA-N 333.457 2.825 0 50 EFAA Cc1ccc(SCCCN(C)C(=O)c2cnc(C)[nH]c2=O)cc1 91536444 APVKWOOWEZNXPJ-UHFFFAOYSA-N 331.441 2.641 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)c1cnc(C(C)C)nc1)C2 97743093 MECYYPYYLRDTJX-ZDUSSCGKSA-N 341.411 2.590 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](C)c2nncn2C2CCCC2)CC1 95390916 SKKWWJMGOSZKLY-AWEZNQCLSA-N 333.480 2.691 0 50 EFAA CCCc1cnc(C)nc1N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 92065646 NGRHOFOEYFPDFX-HXUWFJFHSA-N 342.487 2.966 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 96139288 UUXRTACQSZFYEV-ZVQXUQNISA-N 345.487 2.653 0 50 EFAA O=C(O)[C@H]1[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]2C=C[C@H]1O2 239339037 LPMJXZCKUWKSPX-DDHJBXDOSA-N 328.151 2.586 0 50 EFAA Cc1c(CNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)oc2ccccc12 95524216 AYOSDHONYAAIBO-AWEZNQCLSA-N 343.427 2.751 0 50 EFAA CN(C)c1ccc(CC(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)cc1 244874547 XDBOORUBVWCZEC-SLYNCCJLSA-N 338.451 2.924 0 50 EFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(C2CCC2)cn1 294513473 YMIFNYNAUUXGNF-UHFFFAOYSA-N 334.383 2.641 0 50 EFAA Cn1c(N)nc(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 252479451 BFLYDAYWIYGCAW-UHFFFAOYSA-N 329.363 2.640 0 50 EFAA C=Cc1ccc(-c2ccc(C(=O)NCCNC(=O)C(C)C)cc2)nc1 534653388 VOAVSSPVPFNJBA-UHFFFAOYSA-N 337.423 2.894 0 50 EFAA CSc1ncc(C(=O)NCC2(c3ccccc3)CCOCC2)cn1 299768199 KJEUUGIWQRJCPE-UHFFFAOYSA-N 343.452 2.677 0 50 EFAA CCCc1ncncc1C(=O)NCC1CCN(C2CCCC2)CC1 299770132 LUNNASXCNICHPQ-UHFFFAOYSA-N 330.476 2.814 0 50 EFAA O=C(CC1CCCCC1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2 299791636 HEBKEOPPCVHFBQ-JTQLQIEISA-N 336.413 2.882 0 50 EFAA COc1cccc2c1CC[C@]2(NC(=O)OCc1ccccc1)C(=O)O 725269480 UPDNNPFVAILJML-LJQANCHMSA-N 341.363 2.848 0 50 EFAA O=C(CCN1CCCCCC1=O)N[C@@H](c1ccccn1)C(F)(F)F 827984519 RRROUNZCQLHRME-HNNXBMFYSA-N 343.349 2.594 0 50 EFAA C[C@H]1Cc2cc(NC(=O)CCN3Cc4ccccc4C3=O)ccc2O1 828060004 USIORRDWVLYEMA-ZDUSSCGKSA-N 336.391 2.995 0 50 EFAA CSCCN1CCN(C(=O)NC2(c3ccc(C)cc3)CC2)CC1 584891477 NKXRBPJINLDOGY-UHFFFAOYSA-N 333.501 2.674 0 50 EFAA CC(C)c1nc(CCc2nc3ccc(F)cc3[nH]2)n(CC(C)(C)O)n1 670439971 AQKIKOBYOSCFFI-UHFFFAOYSA-N 345.422 2.973 0 50 EFAA CC[C@H](C)n1nccc1C(=O)N=c1c(C)c[nH]cc1Br 1339084825 GQYAXKKRKURSDN-JTQLQIEISA-N 337.221 2.994 0 50 EFAA CCC[C@H]1CN(Cc2nn(C)c3cccc(Cl)c23)C[C@@H]1NC(C)=O 1565526421 ABGKGGCCOUBHTI-ZFWWWQNUSA-N 348.878 2.963 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N[C@H]3COCC[C@@H]3O)cc2)c1 1565529266 CUQRFNJNNGCOGJ-ROUUACIJSA-N 327.380 2.667 0 50 EFAA C[C@]1(C2CC2)COCCN1C(=O)c1cccc(Oc2cnccn2)c1 890583123 MVWPLSOOWURLKQ-LJQANCHMSA-N 339.395 2.910 0 50 EFAA C[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3cccc(Cl)c3)C1)C2=O 272056290 BZSCNYARYFEJHY-PBHICJAKSA-N 333.819 2.735 0 50 EFAA CCO[C@H]1C[C@H](N(C)S(=O)(=O)N2CCCCCC2)C12CCCC2 170637351 FLVOYMBYVTURAM-HOTGVXAUSA-N 344.521 2.777 0 50 EFAA C[C@H]1C[C@H](NC(=O)Nn2cnc3ccccc32)CN1c1ccccc1 170644625 GHVIDXQTEJCBPS-GJZGRUSLSA-N 335.411 2.957 0 50 EFAA COc1cccc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1C 667319286 DUWCKMODBLDQSM-HNNXBMFYSA-N 328.416 2.816 0 50 EFAA Cc1cc2c(NC[C@@H](O)c3cccc(OC(C)C)c3)nccn2n1 186057390 MARIHBZLOQSOSF-QGZVFWFLSA-N 326.400 2.970 0 50 EFAA COCCn1ccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)n1 187681652 HXOYPJJOTJMJGR-UHFFFAOYSA-N 337.782 2.915 0 50 EFAA Cc1coc(CC(=O)N2CC(C(C)C)C2)c1C(=O)N1CC(C(C)C)C1 635732035 VXXBEELIQCNNLO-UHFFFAOYSA-N 346.471 2.973 0 50 EFAA O=C(N[C@H]1CCCc2c(O)cccc21)c1ccccc1Cn1cncn1 190256265 SJENTRQPPAWTQE-SFHVURJKSA-N 348.406 2.839 0 50 EFAA Cc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)on1 194310093 XASDORCBZYGATL-GFCCVEGCSA-N 334.807 2.882 0 50 EFAA CNC(=O)NC1CCN(C(=O)C2(c3ccccc3C)CCCC2)CC1 666042267 ZUFNLXMPNAGLRX-UHFFFAOYSA-N 343.471 2.727 0 50 EFAA Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 409039 ALNWIKNURMSHHD-UHFFFAOYSA-N 344.480 2.938 0 50 EFAA O=S(=O)(NCCCN1CCCCCC1)c1ccc(Cl)cc1 13670457 KENPHDNRJVMYOI-UHFFFAOYSA-N 330.881 2.884 0 50 EFAA COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(Cl)cc1)CC2=O 12391125 IHACQXGUDCEYSJ-SNVBAGLBSA-N 331.755 2.728 0 50 EFAA CC[C@H](C(=O)N1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711877 UYXJBCGUDMGQNP-CQSZACIVSA-N 344.864 2.507 0 50 EFAA COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 4916961 IAUAEJHVTHKNGW-INIZCTEOSA-N 348.468 2.792 0 50 EFAA O=C(NC1CCCCC1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857718519 XVTYNAZQOIIFIU-GBESFXJTSA-N 343.471 2.833 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 332775765 KQBWFUIGSFVEGY-UYLCUJDWSA-N 346.475 2.857 0 50 EFAA O=C(NCc1cn2ccsc2n1)[C@H]1C[C@@]12CCOc1ccccc12 332899680 UFTVDLYBVUNOPD-RDTXWAMCSA-N 339.420 2.752 0 50 EFAA Cc1ncsc1CCS(=O)(=O)N1Cc2ccccc2C2(CC2)C1 333429244 NGVGSHYCVICMRU-UHFFFAOYSA-N 348.493 2.871 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 238008950 DVYGWKYPDRYYSF-RHSMWYFYSA-N 331.412 2.794 0 50 EFAA C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cn[nH]c1 239367144 AHSCNBRYGYZNPJ-QMTHXVAHSA-N 349.232 2.628 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCC(=O)NC1(C)C 338697299 LCXHJTDYJCBBRN-CYBMUJFWSA-N 333.819 2.917 0 50 EFAA CC(C)COc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 131803733 IQOGNHNWJPGVLA-WMZOPIPTSA-N 344.455 2.852 0 50 EFAA CCCn1ccnc1CN1C[C@H](c2ccc(C)cc2)[C@@H](NC(C)=O)C1 248031724 XXSQYJKSVXNGTP-MOPGFXCFSA-N 340.471 2.706 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1c1nnc(Cc2ccc(F)cc2)s1 134896779 CSTWMVAUXQKVEL-AWEZNQCLSA-N 346.431 2.515 0 50 EFAA CCn1c(O)nc2cc(C(=O)N[C@@H](C)c3c(C)noc3C)ccc21 668752165 XGIZRUUHJVMKEM-VIFPVBQESA-N 328.372 2.858 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCC[C@H](C[C@H]2CCOC2)C1 369839302 DLYIISRIMXDISN-HZPDHXFCSA-N 327.428 2.702 0 50 EFAA C[C@]1(c2nc(C(F)(F)c3ccc(F)cc3)no2)CCNC(=O)C1 903994870 BEWIZKFWDPOSJB-AWEZNQCLSA-N 325.290 2.517 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CCCN(CCc3ccns3)C2)nc1 929985765 FXPJIWHDEUGUDV-CQSZACIVSA-N 330.457 2.740 0 50 EFAA Cc1cn2c(=O)cc(CN[C@@H](c3cccnc3)C3CC3)nc2s1 1262254589 SLFDOFIORKZSOP-MRXNPFEDSA-N 326.425 2.700 0 50 EFAA C[C@H](c1cccnc1)N1CCN(c2nc(N)c3ccsc3n2)CC1 1875287075 UJXCMHOQEKYSCH-GFCCVEGCSA-N 340.456 2.552 0 50 EFAA Cc1cc(C)cc(-n2nnnc2Sc2ccc3nccnc3n2)c1 1875257745 KGDQUOMHQMRQIY-UHFFFAOYSA-N 335.396 2.769 0 50 EFAA Cc1ccc([C@]2(O)CCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)cc1 1875296803 PVIDBWKNGXOUII-NRFANRHFSA-N 337.419 2.852 0 50 EFAA O=C(Cc1cccc(C(=O)O)c1)Nc1nc(C[C@H]2CCOC2)cs1 1875277245 GABHDYQQNMNXBA-GFCCVEGCSA-N 346.408 2.602 0 50 EFAA C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccccc1C(F)(F)F 1875270308 ADFCQHKEXKDNEK-NTZNESFSSA-N 342.361 2.749 0 50 EFAA C=CC(=O)N(Cc1cc(F)c(F)c(F)c1)C[C@@H]1C[C@H]2OCC[C@@H]2O1 1875388607 IDEQJDFZNGWNNX-TUKIKUTGSA-N 341.329 2.565 0 50 EFAA CCC(=O)N1C[C@H]2[C@@H](N=c3[nH]c4ncc(Cl)cc4o3)CCC[C@H]2C1 1875332304 ONIGZWIZIRLESE-UHTWSYAYSA-N 348.834 2.747 0 50 EFAA C=CC(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 1875389419 NRTVQJCEMCPQLX-NSHDSACASA-N 347.802 2.758 0 50 EFAA Cn1cc(NC(=O)CSCc2cccs2)c(-c2ccnn2C)n1 1775997361 CPCRENQYXURJRF-UHFFFAOYSA-N 347.469 2.754 0 50 EFAA Cc1cccc2c1CCN(Cc1ncnn1-c1ccccc1)[C@@H]2C(=O)O 1777459081 OECZRQIHMHBDFA-IBGZPJMESA-N 348.406 2.760 0 50 EFAA O=C(CCn1ccc2cccnc21)N1CCCN[C@H](c2ccccc2)C1 2325783409 XILXTZSHDFESGR-IBGZPJMESA-N 348.450 2.990 0 50 EFAA CC1(C)CO[C@H](CC(=O)O)CN1Cc1csc(-c2ccccn2)n1 2325788207 SMPLRRQCIMBOFJ-CYBMUJFWSA-N 347.440 2.659 0 50 EFAA CC(C)c1nc(N2CCN[C@H](c3ccc(O)cc3)C2)c2cc[nH]c2n1 2325790617 YRKUIOVQUFKQOZ-INIZCTEOSA-N 337.427 2.938 0 50 EFAA COc1c(F)cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1F 245338901 PFAMNVMELFDSPP-CUOATXAZSA-N 326.343 2.908 0 50 EFAA Nc1cncc(-c2ccc(C(=O)NCc3ncccc3Cl)cc2)n1 2356144369 UMBOELLEVLMWQI-UHFFFAOYSA-N 339.786 2.704 0 50 EFAA C[C@]1(O)CCOC2(CCN(C(=O)CCCc3cccs3)CC2)C1 2356146428 FUTZCRNZHQPCRP-KRWDZBQOSA-N 337.485 2.993 0 50 EFAA Cc1cc(Br)c2c(c1)[C@](O)(N1CCC(C)CC1)C(=O)N2 2470363 PHWDOCXACFSXRZ-OAHLLOKOSA-N 339.233 2.587 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc12 342542505 IVHOIYLPGSDGEF-SECBINFHSA-N 345.834 2.928 0 50 EFAA COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H](C(N)=O)C1 225482791 MSSZCPMVORUJAB-MRVPVSSYSA-N 346.214 2.731 0 50 EFAA CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 9198197 HRUBEIQWJLUCHI-VIFPVBQESA-N 336.804 2.670 0 50 EFAA Cc1ccc(F)cc1C(=O)C(=O)NCc1ccc(C[S@@](C)=O)cc1 344084381 KHCNFUKFOKRGFP-XMMPIXPASA-N 347.411 2.512 0 50 EFAA C[C@H](CCc1n[nH]c2ccccc12)N[C@H]1CCO[C@@H]1c1ccnn1C 344262492 RUIWLVIYVXAYNO-FMEYXAORSA-N 339.443 2.737 0 50 EFAA O=C1C[C@@H](Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2 100640644 KAOIHYOGDUAANK-MRXNPFEDSA-N 337.375 2.576 0 50 EFAA biogenic O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC[C@H]2CCCO2)cc1 247716013 NFHCMNBHOYBOST-RGYORQFESA-N 339.391 2.556 0 50 EFAA CCC[C@@H](C)c1nnc(NC(=O)c2cccc(-n3cnnc3)n2)s1 55270630 BKVONIMRVQIWPO-SNVBAGLBSA-N 343.416 2.670 0 50 EFAA Cc1ccc2nc(CNCc3noc([C@@H]4CCCO4)n3)[nH]c2c1C 67675742 ZUXBRBSSYWENGW-ZDUSSCGKSA-N 327.388 2.704 0 50 EFAA CO[C@@H](C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)C)C2)c1ccccc1 969497391 NGQFNLRJSNWHEB-YESZJQIVSA-N 344.455 2.622 0 50 EFAA Nc1nc2c(s1)[C@H](c1cc(CN3CCCC3)cs1)CC(=O)NC2 65394341 HLKXOPJLDXDPAB-NSHDSACASA-N 348.497 2.534 0 50 EFAA COc1cc(NC(=O)[C@H](C2CC2)N2CCCC2)cc(-n2cccn2)c1 280696400 WMWWYYALTCUKAV-SFHVURJKSA-N 340.427 2.694 0 50 EFAA CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)c1nc(C(F)(F)F)cs1 423277274 PORHJAGPPQMJIH-OPRDCNLKSA-N 347.406 2.901 0 50 EFAA Cc1ccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)cn1 122241515 MOACHXIHWQDJJG-UHFFFAOYSA-N 346.475 2.746 0 50 EFAA COc1c([C@@H]2CCCN2C[C@@H](O)c2ccccc2F)c(C)nn1C 229510639 CKUYVZNSMBMVFV-JKSUJKDBSA-N 333.407 2.747 0 50 EFAA COc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 5029008 ZDLBXKNPRSTYQW-KRWDZBQOSA-N 340.335 2.556 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 281184234 HUSWJCMGCNBQNC-GFCCVEGCSA-N 346.431 2.736 0 50 EFAA Cc1ccc(O)c(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328637748 OTWNUZIUNHQMRC-LPHOPBHVSA-N 326.444 2.615 0 50 EFAA O=C1[C@@H](N2CCN(c3cccs3)CC2)CCN1c1ccccc1F 121333545 UIARAWWJHBEFIO-INIZCTEOSA-N 345.443 2.815 0 50 EFAA CN(Cc1cccnc1N)[C@@H]1CCCN(Cc2ccccc2F)C1 72128254 GFGQRFXOZWHKOX-QGZVFWFLSA-N 328.435 2.899 0 50 EFAA CN1CCc2nc(/C=C/c3cc(Cl)cc4c3OCC4)nc(O)c2C1 328593127 DGUNNXIOMATFCU-NSCUHMNNSA-N 343.814 2.929 0 50 EFAA CN(CCn1ccc2ccccc21)S(=O)(=O)NCc1ccccc1 71754128 CIIASXVKZHTOKE-UHFFFAOYSA-N 343.452 2.608 0 50 EFAA C[C@@]1(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CCOC1 253428559 KFHGWXKYUZQVFM-CYBMUJFWSA-N 336.285 2.726 0 50 EFAA O=C(CCc1cccc2c1OCO2)N1CC[C@H](O)c2ccccc2C1 364265573 AEXGPCSGNGBGKW-KRWDZBQOSA-N 339.391 2.814 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)c1cnc(S)n1-c1ccccc1 154991225 FNCSPTZJIQYLRL-GXTWGEPZSA-N 331.441 2.537 0 50 EFAA CN(C)C(=O)c1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)[nH]1 368169006 UTPQNBJHKCXSRQ-MRXNPFEDSA-N 331.391 2.509 0 50 EFAA CC(=O)N[C@H]1CCN(c2cc(-c3ccccc3)nc3c(C)c(C)nn23)C1 77555747 KVPIPUAHBINCRT-KRWDZBQOSA-N 349.438 2.728 0 50 EFAA CC(C)(C)n1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 282431364 FZUQFPJYFGUJBJ-HZPDHXFCSA-N 331.391 2.725 0 50 EFAA COC(C)(C)C[C@@H](C)NC(=O)c1ccc(-c2nnc(S)o2)cc1 127379060 ZZDUFHQJIPCHQY-SNVBAGLBSA-N 335.429 2.959 0 50 EFAA CN1CCC(N(Cc2cccnc2)C(=O)Cc2ccsc2)CC1 77344258 JSQQBPWCNYZQCH-UHFFFAOYSA-N 329.469 2.809 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C[C@H]1C(N)=O 284684265 VZWMOOXUFVKNQZ-BXUZGUMPSA-N 343.814 2.595 0 50 EFAA COC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)C1 242147504 WSIDTNHXPWLCTM-DTWKUNHWSA-N 333.281 2.916 0 50 EFAA OCC[C@@H]1CN(C2CCSCC2)CCN1Cc1cccs1 19219043 KHXMUJGLLBPLHQ-OAHLLOKOSA-N 326.531 2.512 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCCOc3ccc(F)cc3)C2)n1 426582783 HYLXHTPIABYZNG-MRXNPFEDSA-N 346.406 2.674 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)c1cccc(-c2nc[nH]n2)c1 426647932 NIAAFRJYRFNLEZ-UHFFFAOYSA-N 337.383 2.611 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccc(Cl)cc1 239248041 XXHSVGKJSSDPGW-YZXKGSGOSA-N 328.799 2.763 0 50 EFAA Cc1csc(CCCNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1 95380658 ITAHWHCWPFUYNP-UHFFFAOYSA-N 349.500 2.539 0 50 EFAA Fc1ccc([C@@H]2CN(Cc3ncc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95363595 IGBZLPMLJDDDQW-QXAKKESOSA-N 326.419 2.611 0 50 EFAA Cc1cccc(-c2noc(CN(C)c3ncnc4onc(C)c34)n2)c1 91327000 GSRAXVSARXFNDB-UHFFFAOYSA-N 336.355 2.921 0 50 EFAA CC(=O)c1cnc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1C 95352276 SDRSDBKQQHADNQ-ZDUSSCGKSA-N 344.802 2.858 0 50 EFAA C[C@H](CO)CN1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91604875 DMVCXTNIOHJXFL-SFHVURJKSA-N 344.499 2.562 0 50 EFAA CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1nc(C)no1 91305436 JDTYCHNIKIMSBP-ZDUSSCGKSA-N 328.372 2.759 0 50 EFAA Cc1nc(CCNC(=O)[C@H]2CCCN(C(C)C)C2)sc1Cl 95524489 YDSQIDFXAQHMFX-LBPRGKRZSA-N 329.897 2.884 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 91713123 DVNAVYDEQDRIKI-GOSISDBHSA-N 336.432 2.587 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(F)c1 243900921 AXOBWVWLWXPHLG-VBQJREDUSA-N 348.805 2.986 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(F)cc1 299751808 RWFMJYMHDWHLQM-ZBFHGGJFSA-N 347.317 2.601 0 50 EFAA O=C(Cc1cccnc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 185039023 RGFSHDVYCGVZMO-UHFFFAOYSA-N 335.407 2.952 0 50 EFAA CC1(C)C[C@]1(C(=O)NCc1ccc(C(N)=O)cc1)c1cccs1 534632943 IGXZUCVCKPGHJP-GOSISDBHSA-N 328.437 2.831 0 50 EFAA CC1=CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)CC1 299801663 XVJLPBZQEXXZQD-UHFFFAOYSA-N 333.453 2.690 0 50 EFAA COc1ccccc1OCCCN(C)C(=O)N[C@@H](C)c1nc(C)no1 584889724 LYSKGQLGCMSTGD-LBPRGKRZSA-N 348.403 2.558 0 50 EFAA CN(C[C@H]1OCCc2ccccc21)C(=O)c1nc[nH]c1C(F)(F)F 1362597608 SDTQQSXGFPQNEF-GFCCVEGCSA-N 339.317 2.815 0 50 EFAA Cc1ccc(N(C)Cc2ncnn2CCF)c(Br)c1 408522701 CEQDIASZLLNMQX-UHFFFAOYSA-N 327.201 2.955 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N(C)[C@H](C)C(C)(C)O)c2c1CCC2 408520334 IDBFBHUMQFCECV-CQSZACIVSA-N 341.455 2.901 0 50 EFAA Cc1oc2ccccc2c1CN[C@H]1CCCN(c2nccnc2O)C1 275540082 MPBRONLNAVBERY-AWEZNQCLSA-N 338.411 2.995 0 50 EFAA CCn1cc(C(=O)N[C@@H]2CCCOC2)c(=O)c2cc(Cl)ccc21 170592849 DINJCAIJMUIQGI-GFCCVEGCSA-N 334.803 2.584 0 50 EFAA O=c1n(Cc2csc(-c3ccccn3)n2)nc2c(Cl)cccn12 170676563 PXJPLHWPCTUXDK-UHFFFAOYSA-N 343.799 2.716 0 50 EFAA COC(=O)c1ccc(CNc2nc3c(C(=O)OC)cccc3[nH]2)cc1 170616151 XXUNQQJNBBUSPR-UHFFFAOYSA-N 339.351 2.748 0 50 EFAA O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccccc1Cn1cncn1 190256243 SJENTRQPPAWTQE-GOSISDBHSA-N 348.406 2.839 0 50 EFAA COc1ccc(C)cc1CCNC(=O)[C@H]1CCCN1c1nccs1 192534955 WNSQSARMVBBEEV-OAHLLOKOSA-N 345.468 2.788 0 50 EFAA Cn1cnc(-c2ccc(C(=O)N3CC[C@@H](c4cccnc4)C3)cc2)n1 648490099 LPCHRSORPGDTIR-QGZVFWFLSA-N 333.395 2.507 0 50 EFAA CCO[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1ccccc1 193899064 FGCKMESXHCGPAO-INIZCTEOSA-N 337.383 2.593 0 50 EFAA CC(C)n1cccc1C(=O)Nc1ccc(Cl)c(S(N)(=O)=O)c1 195240650 LNPQWJXSEGMHFB-UHFFFAOYSA-N 341.820 2.622 0 50 EFAA CCn1cc(Br)c(C(=O)N2CCCc3ncccc32)n1 1775994289 RPCCRDJHNOIELV-UHFFFAOYSA-N 335.205 2.654 0 50 EFAA Cc1c(NC(=O)[C@H](C)N2CCCCCC2)c(N2CCCC2)nn1C 1529191214 UWMBXECWQSOMJE-HNNXBMFYSA-N 333.480 2.532 0 50 EFAA Cc1cc(N2CCN[C@H](c3ccccc3)C2)nc(N2CCCCC2)n1 1529172876 RVBZJBRFKMWPKY-SFHVURJKSA-N 337.471 2.926 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCC3(CC2)OCCc2sccc23)o1 1704341510 VKBXTUVGDOAMPI-UHFFFAOYSA-N 345.420 2.714 0 50 EFAA Cc1nc[nH]c1C(=O)N1CCCN(C/C=C/c2ccc(F)cc2)CC1 1775983947 DXGCSHRGRJKGJZ-DUXPYHPUSA-N 342.418 2.719 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 12138234 NXGLMJQNRHZELS-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12864464 ZGFRGDBWIWVEFH-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA CCOc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1 16649353 PXODMXXLIPDIMA-UHFFFAOYSA-N 337.383 2.809 0 50 EFAA CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1ccc(Cl)cc1 4988618 DPULXLYEOSLKLM-UHFFFAOYSA-N 344.864 2.509 0 50 EFAA CNc1cc(N2CCC[C@@H]2CNc2ncc(Cl)cc2F)ncn1 430007892 SZTZIVMSCWTMON-LLVKDONJSA-N 336.802 2.787 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)sn1 634789326 IUNFYSPDAFBOQE-UHFFFAOYSA-N 340.426 2.615 0 50 EFAA CCCCNCc1ccc(OC)c(OC[C@@H](O)CN(CC)CC)c1 12711505 MFSCFIADCQBTFI-KRWDZBQOSA-N 338.492 2.666 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 345626976 SCWOOACQTUNPMI-IUODEOHRSA-N 347.317 2.642 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn(C3CCOCC3)c1C)CO2 164317958 LPNUFPXMHNHHLN-KRWDZBQOSA-N 341.411 2.715 0 50 EFAA CC(=O)N(C)Cc1cn(Cc2cc(Cl)cc(Cl)c2F)nn1 900568544 GRZHWSOOLRAZKR-UHFFFAOYSA-N 331.178 2.751 0 50 EFAA CCC[C@]1(C(=O)O)CN(c2ncnc3sc(C)c(C)c23)CC[C@H]1O 1704299431 PLYZRSJFIVRPOS-PXAZEXFGSA-N 349.456 2.750 0 50 EFAA CC(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)nn2C)c2ccccc21 935098196 CQLIPTMQGOLZIR-HNNXBMFYSA-N 338.411 2.525 0 50 EFAA Cc1nc(CN2CC[C@@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)oc1C 947426871 SYOYWDAWZIXCCH-MLGOLLRUSA-N 331.460 2.951 0 50 EFAA CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(O)c(F)c2)C1 874435259 PVGHRUNUXJVRGW-KRWDZBQOSA-N 349.431 2.534 0 50 EFAA Clc1nc2sccn2c1-c1noc([C@H]2CCCc3nn[nH]c32)n1 952892170 CIZOOKJYTHBMQU-LURJTMIESA-N 347.791 2.686 0 50 EFAA Cc1cccc(OCc2nnc3n2CCN(C(=O)OC(C)(C)C)C3)c1 952992561 OCHRSVMFVJGVSO-UHFFFAOYSA-N 344.415 2.916 0 50 EFAA CC(C)[C@H](C(=O)O)C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 1875266676 BRPPXFKJKHNHPO-MFKMUULPSA-N 333.413 2.739 0 50 EFAA O=C(/C=C/CN1CCCC1)N1CCCN(c2ccc(F)c(F)c2)CC1 1875337890 ILYOOLLTCFWZHC-HWKANZROSA-N 349.425 2.656 0 50 EFAA O=C(NC[C@@H]1C[C@H]2OCC[C@@H]2O1)c1cc(-n2cccc2)ccc1Cl 1875308432 GCSOIJAZQVOKMI-RRQGHBQHSA-N 346.814 2.807 0 50 EFAA CC[C@H]1CN(C)CCCN1C(=O)c1cc(C)n(-c2cccc(F)c2)n1 1775988088 CXKJYHCLQFPCHR-INIZCTEOSA-N 344.434 2.876 0 50 EFAA CCCCCOc1ccc(C(=O)Nc2cc(C(=O)NC)n(C)n2)cc1 1775999148 QMKQVKVDAZAKGC-UHFFFAOYSA-N 344.415 2.601 0 50 EFAA CC(C)COc1cccc(Cn2cc(CN3CCOC[C@H]3C)nn2)c1 899210386 GFEAUAXVPJUYQZ-MRXNPFEDSA-N 344.459 2.582 0 50 EFAA CN(C)S(=O)(=O)c1ccc(Sc2ccccc2)c(C(=O)O)c1 13189915 HUWQSYTUNSGFAI-UHFFFAOYSA-N 337.422 2.786 0 50 EFAA CC(C)n1cnnc1CN(C)C(=O)c1cnc(-c2ccccc2)n1C 2100539616 QJEVJFGEIYJKEV-UHFFFAOYSA-N 338.415 2.532 0 50 EFAA O=C(Nc1cnc2sccn2c1=O)c1c[nH]nc1C1CCCCC1 2100556754 GWQOZJOOQDIQRY-UHFFFAOYSA-N 343.412 2.779 0 50 EFAA CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2C1=O 312774 SZAXMFIHEHZNTE-UHFFFAOYSA-N 330.727 2.524 0 50 EFAA CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 2861045 KIHKHDNNXJYSLK-CQSZACIVSA-N 327.446 2.762 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[C@@H](C)CC 4838309 LRMUJRYIEHYNGR-ZDUSSCGKSA-N 327.446 2.620 0 50 EFAA CSc1cccc(N(C(=O)C2=COCCO2)C2CCN(C)CC2)c1 112247982 BLDYXUAQWNJPHI-UHFFFAOYSA-N 348.468 2.724 0 50 EFAA Cc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 55070030 SIAGBVGMVMVWLN-UHFFFAOYSA-N 344.846 2.804 0 50 EFAA CCCCS(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 20594866 YAVSGJBFCCZFRM-UHFFFAOYSA-N 330.881 2.588 0 50 EFAA Cc1cc(C)n2nc(-c3nc(C(C)C)nn3-c3ccccn3)nc2n1 65396094 KRNUDBTVUHMICW-UHFFFAOYSA-N 334.387 2.507 0 50 EFAA C[C@@H]1CCCN(CCCOc2ccc(CNN3CCOCC3)cc2)C1 67601786 XHADEFFEQIDTHY-GOSISDBHSA-N 347.503 2.524 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)CCc2n[nH]c(C)c2C)C[C@H]1O 67787499 GCPFGTRPAXVSDK-GDBMZVCRSA-N 347.484 2.706 0 50 EFAA CC(C)CN1C[C@@H](c2nc(C(C)C)nn2-c2ccccn2)CC1=O 65431566 NGYPMWVCTUFKTG-AWEZNQCLSA-N 327.432 2.758 0 50 EFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CCn3cccc3)CC[C@H]21 72435395 HTJHTUIFZWOPRG-DLBZAZTESA-N 331.460 2.518 0 50 EFAA Cc1ncc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cn1 67785283 KTMAQABUZAKCHP-UHFFFAOYSA-N 348.406 2.947 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC2CCN(Cc3cccc(O)c3)CC2)n1 67695627 IEURXIJIITZCEL-INIZCTEOSA-N 342.487 2.848 0 50 EFAA O=C(C1CC1)N1CC[C@@]2(CCCN(CCOCc3ccccc3)C2)C1 67723560 SXEKHMVPLRWPOB-OAQYLSRUSA-N 342.483 2.928 0 50 EFAA C[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)[C@@H](c1ccccc1)N(C)C 356291204 YJXOPWPZXGDTCM-BEFAXECRSA-N 349.438 2.689 0 50 EFAA Cc1nc([C@@H]2CCCN(Cc3cccc(Cn4cccn4)c3)C2)n[nH]1 215896636 CTTZYFUCAWOEKE-GOSISDBHSA-N 336.443 2.738 0 50 EFAA C[C@@H]1OC[C@@H]2ON(C)[C@H](c3ccc(Br)cc3)[C@@H]2CO1 230051917 HMRKPBWOSADXRR-GSVCSZOMSA-N 328.206 2.745 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc2c(c1)OCO2 32497769 CPTRSYSOWQMOOA-UHFFFAOYSA-N 337.335 2.738 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCc1snnc1C(C)C)C2 65385702 WVQHJSDSNICTCN-GFCCVEGCSA-N 347.440 2.538 0 50 EFAA O=C1COc2ccccc2N1CCc1nc(CCc2ccccc2)n[nH]1 65499036 RINRKPUIQKDJQV-UHFFFAOYSA-N 348.406 2.558 0 50 EFAA CNC(=O)CC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 253429400 SCXWXDWGVQRMNM-QVKFZJNVSA-N 336.435 2.728 0 50 EFAA C[C@H](Oc1cccnc1)C(=O)NC1(c2ccc(F)cc2)CCOCC1 172120646 FJLFBOVTWZOYEH-AWEZNQCLSA-N 344.386 2.810 0 50 EFAA CC(C)Cc1cc(-c2nccn2Cc2noc([C@@H]3CCCO3)n2)n[nH]1 77392608 YMSXBVOSAQITOO-AWEZNQCLSA-N 342.403 2.755 0 50 EFAA CCc1nc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328655208 YDQCJHYNJNOXNQ-JTQLQIEISA-N 343.353 2.542 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 172234774 FZZFAODVMGNNIO-GOSISDBHSA-N 326.444 2.999 0 50 EFAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCCn3cncn3)[nH]c2c1 77337908 BMSKONXJTFMPPZ-MRXNPFEDSA-N 338.415 2.607 0 50 EFAA C[C@H](C(=O)O)N(C(=O)c1ccc(Oc2cccnc2)cc1)C1CC1 263281970 SDKDSBBQRXWDRK-GFCCVEGCSA-N 326.352 2.952 0 50 EFAA C[C@@H]1CC(=O)NCCN1C(=O)c1ccccc1COc1ccccc1 371042042 OYHJBMBDXVGEML-OAHLLOKOSA-N 338.407 2.616 0 50 EFAA O[C@@H]1Cc2ccccc2C12CCN(C1CSCCSC1)CC2 72159201 PKGUCHNQSKEKPR-QGZVFWFLSA-N 335.538 2.786 0 50 EFAA Cn1c(S)nc2cc(C(=O)OCCCC(F)(F)F)ccc2c1=O 157808925 PXDVYQVTVBNRDG-UHFFFAOYSA-N 346.330 2.722 0 50 EFAA O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(Cn2cccn2)CC1 128210145 BIKPSAHOUYDZHW-AWEZNQCLSA-N 346.456 2.744 0 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Cc1nn(CCn2cc(-c3ccccc3C(=O)O)nn2)c(C)c1Cl 95386182 FXOQWYIQACYPHW-UHFFFAOYSA-N 345.790 2.810 0 50 EFAA CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 22215359 FDQXBEJKROSSAB-CQSZACIVSA-N 347.367 2.728 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)c1ccnc(NC(=O)C(C)C)c1 293013133 OFCKPPQPUUMOBI-UHFFFAOYSA-N 339.395 2.888 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@H](CS(C)(=O)=O)C3)ccc2O1 97660629 DEXBDAMTILNHKD-HNNXBMFYSA-N 337.485 2.657 0 50 EFAA COc1ccc(CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1OC 91486808 KFQDNOAMQZKBBU-UHFFFAOYSA-N 341.367 2.925 0 50 EFAA c1cnc(N2CCC(NCc3nc(C4CCCCC4)no3)CC2)nc1 95504838 JFXYSINXIWNQNT-UHFFFAOYSA-N 342.447 2.666 0 50 EFAA COCCc1noc([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 96164128 GWAQLUKLJZHIGI-CQSZACIVSA-N 329.400 2.902 0 50 EFAA CNC[C@H]1CCCN(C(=O)/C=C/c2ccccc2Br)C1 237308854 QOEQYMAUFWYFIT-MMQHEFTJSA-N 337.261 2.920 0 50 EFAA COc1cc(C)cc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 162307719 UDFPTOHBXUKEHC-MRXNPFEDSA-N 342.370 2.885 0 50 EFAA COCCN(Cc1ccncc1)C(=O)c1ccc(-c2cc[nH]n2)cc1 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0 50 EFAA CN(C[C@H](O)CN1CCCC1=O)C1c2ccccc2-c2ccccc21 305204339 FYSKVOLICICMSA-HNNXBMFYSA-N 336.435 2.672 0 50 EFAA O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccnc(O)c1 408514721 UPHDJNKAQPNTQI-CYBMUJFWSA-N 341.194 2.948 0 50 EFAA COc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCC[C@@H]2C)c(C)c1 408500708 PHCHLIDZTUOSGN-SMDDNHRTSA-N 325.430 2.635 0 50 EFAA O=S1(=O)CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 408518561 NQABAGNKJMPQJG-UHFFFAOYSA-N 349.161 2.642 0 50 EFAA C[C@@H](c1nnnn1-c1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 222199595 FYGUZIHPTSABDV-HOTGVXAUSA-N 349.442 2.552 0 50 EFAA CCC[C@H](Cc1ccccc1)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275428772 FEWPVSTWEVYNDR-GGPKGHCWSA-N 340.471 2.741 0 50 EFAA Cc1cc(Cl)ccc1CN[C@H]1CCCN(c2nccnc2O)C1 275591639 PSOMDCHBGUMRGF-HNNXBMFYSA-N 332.835 2.903 0 50 EFAA CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N2CCc3ccccc32)C1 171148340 XGOHWRYSRVNSDP-HNNXBMFYSA-N 329.444 2.653 0 50 EFAA CCCN1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1=O 188438767 TUHRFFYUORIDEP-UHFFFAOYSA-N 344.242 2.660 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(-c3ccccc3F)no2)C1 643855931 PGIFJXTXZAZNFA-RISCZKNCSA-N 343.362 2.561 0 50 EFAA CCOC(=O)c1cnc(/C(C)=C/c2cccc(OC)c2F)[nH]c1=O 195503144 XPKZHPUXDQCTSJ-CSKARUKUSA-N 332.331 2.655 0 50 EFAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CC(N3CCCCC3)C2)cc1 1529161587 LQHHZBBZFHEKIQ-SFHVURJKSA-N 332.444 2.770 0 50 EFAA Cc1nn(C)cc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529155585 UWTULKVFLZSWNG-ZWKOTPCHSA-N 325.412 2.721 0 50 EFAA CCCc1cnc(C)nc1N1CC[C@@](C(=O)O)(c2ccccc2)C1 1704331084 KHAUGIRPJGEXGB-IBGZPJMESA-N 325.412 2.970 0 50 EFAA COc1cc2c(cc1/C=C1/NC(=O)N(c3ccccc3)C1=O)OCO2 460413 BZWSGQSDXZCOCJ-NTUHNPAUSA-N 338.319 2.521 0 50 EFAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H](C2(O)CC2)C1 1772805531 OBNFOMLXEDXQRK-LBPRGKRZSA-N 333.819 2.673 0 50 EFAA COc1cccc2c(C)cc(S[C@@H](C)C(=O)N3CCOCC3)nc12 11907478 ZRNUOWKQMWNRJH-ZDUSSCGKSA-N 346.452 2.891 0 50 EFAA CCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 15079302 QBIOKCPUEJKOLD-GOSISDBHSA-N 336.382 2.716 0 50 EFAA COCc1cn(C2CCN([C@H]3CCc4ccccc4C3)CC2)nn1 19739532 JUHYHXUMAWWYEL-IBGZPJMESA-N 326.444 2.619 0 50 EFAA CN(CCn1ccc2ccccc21)[C@@H]1CCOC2(CCNCC2)C1 1857679307 SXTGXXCEEULQIH-GOSISDBHSA-N 327.472 2.874 0 50 EFAA O=C(NCCCCc1ccc(Cl)s1)N[C@@H]1C=C[C@H](CO)C1 252508046 XBBUAVOZOIOFJO-NWDGAFQWSA-N 328.865 2.960 0 50 EFAA COc1ccccc1CN1CCN(c2ccnc(C(C)C)n2)CC1 110527301 JWDNLCJGZKVRFN-UHFFFAOYSA-N 326.444 2.931 0 50 EFAA NC(=O)C[C@]1(O)CCCN(CC(c2ccccc2)c2ccccc2)C1 643747795 OVHJHGXUZVKICY-OAQYLSRUSA-N 338.451 2.521 0 50 EFAA Cc1nn(C)c(C)c1CCCNC(=O)c1cccnc1OC(C)C 252492229 MGDUIVHUXHSGRL-UHFFFAOYSA-N 330.432 2.582 0 50 EFAA O=C1NCCN(Cc2ccncc2)[C@@H]1c1ccccc1Br 371329724 MXBNSBOQHLYCFN-OAHLLOKOSA-N 346.228 2.517 0 50 EFAA COc1cc(C)cc(CNC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c1 162027470 GKMLEXQHJDPZBW-IBGZPJMESA-N 338.407 2.598 0 50 EFAA Cn1cnc2cc(-c3nc(CNC(=O)OC(C)(C)C)no3)ccc21 497157708 DGIIBDATHNZYNX-UHFFFAOYSA-N 329.360 2.648 0 50 EFAA C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(F)c1 266084382 VLSKVFIAJIXKEE-KBXCAEBGSA-N 340.398 2.847 0 50 EFAA NC(=O)CN1CCc2ccc(NCc3sccc3Cl)cc2C1 390835267 IHXHCPQJOFHERK-UHFFFAOYSA-N 335.860 2.857 0 50 EFAA Oc1nc2c(cc1-c1noc(C34CCCN(CCC3)C4)n1)CCCC2 904158390 MGHKWKGGDXONRJ-UHFFFAOYSA-N 340.427 2.843 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)o2)C1 928995599 CTAWWEXVPFPPQE-OAHLLOKOSA-N 348.443 2.681 0 50 EFAA O=C(Nc1cccc2c1OCCO2)N1CCC(O)(C2CCC2)CC1 929882144 XGDQMQDSCUWIGF-UHFFFAOYSA-N 332.400 2.617 0 50 EFAA Cc1ccoc1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1121195043 BEOUNPZMVIIUMP-UHFFFAOYSA-N 337.379 2.775 0 50 EFAA COc1cc(C(=O)N(C)Cc2c(C)nn(C)c2Cl)ccc1F 846026070 PQDGJKLHTNWWRU-UHFFFAOYSA-N 325.771 2.802 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)Cc2ccnn2C1 1875294699 UOPCKSBTQYFVTB-GOSISDBHSA-N 348.406 2.662 0 50 EFAA O=C(O)c1cc(C(=O)N2CCC[C@H]2c2cc(F)ccc2Cl)[nH]n1 1875292078 VXLUECICXQHIKZ-ZDUSSCGKSA-N 337.738 2.878 0 50 EFAA O=C(O)C[C@@H]1CC[C@H]2CN(C(=O)c3cccc4c[nH]nc34)CC[C@H]2C1 1875291802 LZSYFYHVNOKOPO-IPYPFGDCSA-N 341.411 2.916 0 50 EFAA CCN(CC)CC1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875290584 RAWKNJHCDPMQCX-UONOGXRCSA-N 348.491 2.626 0 50 EFAA Cn1cc([C@H]2CSCCCN2C(=O)c2ccn3c2CCCC3)cn1 1875271850 VPXHHOSKISOURW-QGZVFWFLSA-N 344.484 2.878 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCCC4(CCOCC4)C3)n[nH]c21 1875300027 HRUHSXSIIDOIAD-KGLIPLIRSA-N 347.459 2.855 0 50 EFAA O=C(N[C@H](CCO)C1CCCC1)c1cncnc1-c1ccccc1 889110718 CZDORYTWGAEHLD-QGZVFWFLSA-N 325.412 2.815 0 50 EFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@]2(CC(C(=O)O)=NO2)C1 1775999474 UHDGBMSDGGDYKB-IFXJQAMLSA-N 344.411 2.711 0 50 EFAA CC[C@H](NC[C@@](C)(O)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1775994775 CAZVFLLVBOLUCP-QIIPPGSGSA-N 326.481 2.773 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@@]2(C(=O)O)C(C)C)c1 899778942 LHTVQMKITSECMC-KBXCAEBGSA-N 347.415 2.538 0 50 EFAA COc1ccc(CN(C)C2=CC(=O)N(c3ccccc3)C2=O)cc1C 2325825763 AKGOHOKPUOGFCK-UHFFFAOYSA-N 336.391 2.893 0 50 EFAA COc1ccc(CC(=O)N2CCc3cc(C(=O)O)ccc3C2)cc1 910500218 LZNNKDVCOWXKBX-UHFFFAOYSA-N 325.364 2.521 0 50 EFAA CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 149011 QRAKNJNCKFFKRI-UHFFFAOYSA-N 335.385 2.689 0 50 EFAA COc1cc(F)ccc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356161404 URBOYNDHSFJQTQ-GOSISDBHSA-N 329.375 2.678 0 50 EFAA COc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1 2729910 HLFBVZFDKIDWRX-SFHVURJKSA-N 338.407 2.550 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(F)c(O)c2)C1=O 2356168517 HHIOUGMTPUKITI-GOSISDBHSA-N 334.391 2.539 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1N1CCCC1)CC2 245493996 MQOARRGTSNWNKF-HOTGVXAUSA-N 328.460 2.987 0 50 EFAA Cc1ccc(CNC(=O)CN2N=C(c3ccc(C)cc3)CCC2=O)cc1 4708345 MAQNUFUHWGPCII-UHFFFAOYSA-N 349.434 2.946 0 50 EFAA CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 6746722 IAIZGCDHWPXLIS-UHFFFAOYSA-N 338.473 2.694 0 50 EFAA Cc1nc(N2CCC[C@@H]2C(=O)N2C[C@H]3CC[C@H]2C3)nc2ccccc12 104437342 WVGOFGWXTQIGCY-RLFYNMQTSA-N 336.439 2.918 0 50 EFAA CSc1ccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 20773998 ZWWWZBQYYFRTGK-MRXNPFEDSA-N 344.484 2.910 0 50 EFAA COCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2C)o1 55198439 NLCJUBGOURREIV-UHFFFAOYSA-N 330.428 2.938 0 50 EFAA CNc1ccccc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 55154278 XNSBQGPOLRZBJJ-INIZCTEOSA-N 325.412 2.945 0 50 EFAA Cc1[nH]c2c(C(=O)NCC3(N(C)C)CCOCC3)cccc2c1C 113990857 MQKKOUQSFAWINM-UHFFFAOYSA-N 329.444 2.625 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H](C)N2Cc3ccccc3C2=O)cc1 20427229 TXDUBNNHXHWDFX-LBPRGKRZSA-N 337.379 2.628 0 50 EFAA Cn1nccc1CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 247306437 ZZHQKWVSTIYONR-GJZGRUSLSA-N 325.334 2.747 0 50 EFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](c2ccn[nH]2)C1 67967373 ISJWSQWVMBCQMZ-CQSZACIVSA-N 348.410 2.963 0 50 EFAA CCc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc1 67854814 ZRAFFOZRSWDHQF-ZWKOTPCHSA-N 340.423 2.723 0 50 EFAA CCc1[nH]c(C(=O)Nc2ccc3[nH]ncc3c2)c(C)c1C(=O)OC 248120089 UUULRHHOTKGTJV-UHFFFAOYSA-N 326.356 2.801 0 50 EFAA Cc1nc2c(C(=O)NC[C@@H]3CCN(Cc4ccco4)C3)cccc2[nH]1 67921817 HOUKIGIJRXAKRA-AWEZNQCLSA-N 338.411 2.716 0 50 EFAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(C(C)C)nn1C 65375860 LTWOVTWPQKNAGJ-UHFFFAOYSA-N 337.427 2.968 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)no1 65501206 UNODLSBPTRVCLV-CYBMUJFWSA-N 339.399 2.861 0 50 EFAA CN1CCC2(CC1)CCN(S(=O)(=O)Cc1ccccc1Cl)C2 65428662 FLSPTSJRTDWFOW-UHFFFAOYSA-N 342.892 2.588 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3cccn3)C2)cc1 229423092 DAJZZFBWUNBIPA-NJAFHUGGSA-N 325.412 2.859 0 50 EFAA C[C@@H]1CCN(C(=O)COC(=O)C2(O)CCCCC2)[C@@H]2CCCC[C@@H]12 229764881 QDBXSENWZKOMAR-OWCLPIDISA-N 337.460 2.652 0 50 EFAA CC(C)(O)[C@@H]1CCCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67787576 IJCJJNIRJXAHKR-CQSZACIVSA-N 343.427 2.612 0 50 EFAA CCc1csc(CNC(=O)c2ccc(N3CCCCO3)nc2)n1 12089961 RQXQDGKWLNKZPJ-UHFFFAOYSA-N 332.429 2.562 0 50 EFAA CC(C)Oc1cccnc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 252522851 BHNBZNRPAYPLSY-OAHLLOKOSA-N 342.399 2.949 0 50 EFAA CCOc1cc(/C=C/C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)ccc1OC 252517450 IVNVTCOFVMXBMR-JEWUSABGSA-N 345.439 2.630 0 50 EFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)c1ccccc1F 328630121 JAVQPWBMFDGGAJ-CYBMUJFWSA-N 333.432 2.843 0 50 EFAA CCc1nn(C)cc1CN(Cc1nccs1)[C@@H]1CC12CCNCC2 328629065 HWKHIJFLHQFERJ-MRXNPFEDSA-N 345.516 2.583 0 50 EFAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1ccc(Cl)c2cccnc12 172212990 XQILLYKRMLMPEJ-NSHDSACASA-N 326.787 2.899 0 50 EFAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(F)cc2O)CC1 124216120 DLCBLNXPJVQNRC-ZDUSSCGKSA-N 343.402 2.882 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@@H](c2ccsc2)O1 253430102 HWWGJSBEULVQKJ-MFKMUULPSA-N 341.383 2.812 0 50 EFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCCC[C@H]1Cn1cncn1 257365285 DITVJDMLONJPLW-HOCLYGCPSA-N 338.415 2.944 0 50 EFAA CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)C1 257365685 GIHSQUFMDQNZDZ-IKGGRYGDSA-N 341.459 2.707 0 50 EFAA CNC(=O)CCOc1ccc(NC(=O)N(C)Cc2ccc(C)o2)cc1 338390659 VFJORKOSUWTEDZ-UHFFFAOYSA-N 345.399 2.767 0 50 EFAA CC(C)C(=O)N1CCC(NC(=O)[C@@H](C)Cc2ccccc2F)CC1 155824284 SVUSLLMRPAYTSW-AWEZNQCLSA-N 334.435 2.768 0 50 EFAA Fc1ccc(CN2CCC[C@@H](Cc3nnc4ccccn34)C2)nc1 375494119 FFTWGDXNFCHGIK-AWEZNQCLSA-N 325.391 2.718 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cccc3[nH]cnc23)c1 282468461 LFCHAVFBHOFGHC-DYVFJYSZSA-N 337.379 2.520 0 50 EFAA C[C@H](C(=O)NCc1nc(-c2ccncc2)cs1)C1CCOCC1 128283776 IHQORCKMHOASTA-LBPRGKRZSA-N 331.441 2.884 0 50 EFAA CC(C)c1cc(N2CCC(N3CCSCC3)CC2)n2nccc2n1 72154099 WUTHNHMMVSLLEK-UHFFFAOYSA-N 345.516 2.870 0 50 EFAA Cc1cc([C@H]2CCCCN2C(=O)CSc2nnc(C)s2)no1 219682559 SRXOVIAIIFHLJI-GFCCVEGCSA-N 338.458 2.989 0 50 EFAA O=C1CCCN1C[C@@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1 372007261 SWJOXAGFCPIDRI-INIZCTEOSA-N 344.459 2.615 0 50 EFAA COc1ccc(CN2CCC(Oc3cccnc3)CC2)cc1C(=O)O 216009432 GXTHDYDPQCZDBO-UHFFFAOYSA-N 342.395 2.832 0 50 EFAA CCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c2ccccc21 337145869 HZUMDNYSVXPZEI-QXAKKESOSA-N 342.439 2.663 0 50 EFAA c1ccc(CCN2CCN([C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 77380178 LDAWTQBYEBVQIC-HXUWFJFHSA-N 344.499 2.575 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 284556427 LVQAXLSUBWMXMG-GUTXKFCHSA-N 330.350 2.857 0 50 EFAA COC[C@H](NC1CCN(c2nnc(C)s2)CC1)c1ccc(C)o1 241707041 QMDQXALEPFIXEE-AWEZNQCLSA-N 336.461 2.694 0 50 EFAA O=C(Cn1nc(-c2cccs2)ccc1=O)NC1CCCCCC1 49544437 DOSCYEYSZFWTMG-UHFFFAOYSA-N 331.441 2.811 0 50 EFAA O=C(NCc1cc2n(n1)CCCNC2)c1cc2c(s1)CCCCC2 82098735 NDECAQHKAKMPCO-UHFFFAOYSA-N 344.484 2.637 0 50 EFAA CN1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccnn1-c1ccccc1)CC2 95518709 JVGXTIFJHDOLPF-GOEBONIOSA-N 325.416 2.573 0 50 EFAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cnoc1-c1ccccc1 426380656 PUJBBRMQZLXTBB-HNNXBMFYSA-N 349.394 2.530 0 50 EFAA Cc1ccc(CCNC(=O)Nc2ccccc2CC(=O)N(C)C)o1 426475276 ABFNUNHJKGSSIZ-UHFFFAOYSA-N 329.400 2.583 0 50 EFAA Cc1nc2c(c(N(C)CCc3cnn(C)c3)n1)Cc1ccccc1OC2 96152690 KBSRETYYJMQQSX-UHFFFAOYSA-N 349.438 2.681 0 50 EFAA O=C1C[C@H](c2nc(-c3cn4ccccc4n3)no2)CN1C1CCCC1 96179504 CVQBGBUHQTVPMX-LBPRGKRZSA-N 337.383 2.643 0 50 EFAA COCCC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 91645761 ZPCCDHJXDHBIDI-LJQANCHMSA-N 349.446 2.885 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)N1CCC(O)(Cc2ccccc2)CC1 95355739 BDZHXGSNICTJKF-LJQANCHMSA-N 344.499 2.847 0 50 EFAA COc1cccc(CN2C[C@@H](c3nc(CSC)no3)CCC2=O)c1 91364791 WTARPJRMJDBRNE-ZDUSSCGKSA-N 347.440 2.847 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)nc(C)n1 95368136 GGJCVZALAYRZTR-MRXNPFEDSA-N 339.395 2.811 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 243900951 AXVNIUXCAYKSQB-GHJWDPDVSA-N 331.391 2.917 0 50 EFAA CO[C@@H]1O[C@@H]2CC[C@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@H]7CC[C@@H]8O[C@@H]([C@H]([C@H]5[C@H]87)[C@@H]43)[C@]621 247886145 RRUNHOPDGXUDJX-GTLDSCEGSA-N 326.436 2.545 0 50 EFAA CC(C)(C)Oc1ccncc1NC(=O)Cc1ccc2c(c1)NC(=O)C2 183192858 DMPBITGYLQEDPZ-UHFFFAOYSA-N 339.395 2.935 0 50 EFAA Cc1nc2c([nH]1)CN(C(=O)NCc1csc3c1CCCC3)CC2 534631738 NYNPHXSOGOWLOA-UHFFFAOYSA-N 330.457 2.926 0 50 EFAA COc1cc(CN(C)Cc2ccccc2F)ccc1OCC(=O)O 534643509 YTFHLUUPLZRLCI-UHFFFAOYSA-N 333.359 2.930 0 50 EFAA Cc1ccc(CNC(=O)N2CCC(Oc3ncccn3)CC2)c(C)c1 534672421 IPXCTRQWLKKLQT-UHFFFAOYSA-N 340.427 2.846 0 50 EFAA CCOc1cccc(NC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c1 299772355 ZKGGTLYKFGXAFW-KRWDZBQOSA-N 333.388 2.534 0 50 EFAA CO[C@H]1COC[C@@H]1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1 824506471 FUDUZGNSKPUTSW-IRXDYDNUSA-N 348.830 2.798 0 50 EFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1ccc(F)c(O)c1 584894906 OQEHQIFMBRLJOF-QGZVFWFLSA-N 343.402 2.883 0 50 EFAA COC[C@@H](C)NC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1 670444664 NIMRCZGKUQTOGU-IQIBNGDESA-N 346.471 2.572 0 50 EFAA O=C1CCc2c1cccc2C(=O)NCCc1cnn(-c2ccccc2)c1 670455075 YPFQIUIVRPXXFP-UHFFFAOYSA-N 345.402 2.974 0 50 EFAA CC(C)n1c(CNCCN2CCCC[C@H]2CO)nc2ccccc21 952965545 QDOFXNOVZRTISX-INIZCTEOSA-N 330.476 2.554 0 50 EFAA CC[C@H](C(=O)N(Cc1ccncc1)Cc1ccncc1)N(C)CC 952868517 ASSFGRNNMJSDEE-GOSISDBHSA-N 326.444 2.736 0 50 EFAA CCOc1cncc(N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 301862024 LGJCZTSZJFRUOK-CYBMUJFWSA-N 330.363 2.622 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 275589517 KDDGTPZVWXQQTI-GFCCVEGCSA-N 341.440 2.694 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N2C[C@@H](C)CC2(C)C)n1 276407008 CZKXSOWGNKJGQS-NSHDSACASA-N 328.420 2.931 0 50 EFAA CCCC(=O)N[C@H](CCNC(=O)c1cnn(C2CCC2)c1)C(C)C 1487604852 TZFMFJYXBNEESV-MRXNPFEDSA-N 334.464 2.669 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)[C@@H]1COc2ccccc2O1 274077975 RMZWKBXHARRKHD-NSHDSACASA-N 341.289 2.526 0 50 EFAA CSc1ccccc1CN(C)S(=O)(=O)C[C@@H]1CCCCO1 280183184 FAHAGRNTTWEWGI-AWEZNQCLSA-N 329.487 2.739 0 50 EFAA C[C@H]1CCN(c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccn2)C1 674493509 LTIZGXUPZNNFHN-ZDUSSCGKSA-N 336.395 2.527 0 50 EFAA O=C(c1cc(C2CC2)[nH]c(=O)c1)N1CCN(C2CC2)c2ccccc21 187537133 KOQSURCONWOHRD-UHFFFAOYSA-N 335.407 2.882 0 50 EFAA O=C([C@H]1CC=CC[C@H]1c1nc(-c2cccs2)no1)N1CCOCC1 190129551 QMLGICGNJDUOBH-OLZOCXBDSA-N 345.424 2.707 0 50 EFAA Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccnn3C)CC2)cc1 192809953 BPBPORJWUOTUDK-HNNXBMFYSA-N 326.444 2.684 0 50 EFAA C[C@H]1CN(CCN(C)Cc2ccccc2OC(F)F)C[C@@H](C)O1 195303618 VHWFDKCLDOZQIC-OKILXGFUSA-N 328.403 2.829 0 50 EFAA CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCn1ccnc1C 1775994313 IXLUJGXVYQLUMP-HOTGVXAUSA-N 336.480 2.817 0 50 EFAA CC[C@@H]1C=CCN1Cc1cc(-c2cnccn2)ccc1OCC(=O)O 1506402149 IXSPCKGGGJCSLE-MRXNPFEDSA-N 339.395 2.757 0 50 EFAA Cc1ccc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1 1078961 GWPBKRIVCFJXCH-OAHLLOKOSA-N 338.473 2.552 0 50 EFAA O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)c1ccccc1 12048218 NDBYEEFECAZNPH-MRXNPFEDSA-N 331.375 2.877 0 50 EFAA CCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 12138549 JLHRJHDECOQVRA-UHFFFAOYSA-N 326.352 2.777 0 50 EFAA CC(=O)NCCNc1ccc(-c2nc(-c3ccccc3C)no2)cn1 14971676 BNOJTNPPGFKIMP-UHFFFAOYSA-N 337.383 2.655 0 50 EFAA C[C@H]1CN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C[C@@H](C)O1 15068008 STEKYGDNJNKAEX-CALCHBBNSA-N 342.483 2.646 0 50 EFAA COc1ccc(C(=O)NC2CCN(Cc3c(C)noc3C)CC2)cc1 169751773 BJEVDYXZYRHETK-UHFFFAOYSA-N 343.427 2.694 0 50 EFAA NC(=O)COc1ccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)cc1 6744635 RTTHJXSOWRGFMM-DCCOXESHSA-N 348.468 2.595 0 50 EFAA O=C1CSC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 974655 BFCZOAOTLIAYFJ-GFCCVEGCSA-N 340.404 2.851 0 50 EFAA C[C@H]([C@H]1COc2ccccc2O1)n1cnc2c(F)cccc2c1=O 43027644 IXZIDUWLYNLZLW-BDJLRTHQSA-N 326.327 2.937 0 50 EFAA CCCOc1c(I)cc(C(N)=O)cc1OCC 6702175 RSYZBHSGRKINCN-UHFFFAOYSA-N 349.168 2.578 0 50 EFAA O[C@@H](CN1CCCC1)Cn1ccnc1-c1ccc2cccc(F)c2n1 1857670172 YHSSBWKJCMHNNY-HNNXBMFYSA-N 340.402 2.694 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)NC(C)(C)C)CC2 1857711524 DYPSJCDRRBTARS-UHFFFAOYSA-N 326.444 2.996 0 50 EFAA O=C(c1cc2ccccc2s1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857730002 MGAGWCQZOAFMMI-HNSFDTNUSA-N 329.421 2.513 0 50 EFAA COc1ccccc1[C@@H](C)CC(=O)N1CCN(c2nccs2)CC1 408512847 AWTISGZSMMWBTO-AWEZNQCLSA-N 345.468 2.994 0 50 EFAA O=c1[nH]ncc(N2CCc3cc(Br)ccc3C2)c1Cl 225633121 UHBIKDABLIJJGR-UHFFFAOYSA-N 340.608 2.749 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 116782722 RIPRUHGTWHKEKL-QGZVFWFLSA-N 344.434 2.905 0 50 EFAA CC(C)COc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 131803503 IQOGNHNWJPGVLA-FUHWJXTLSA-N 344.455 2.852 0 50 EFAA CC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1c(C)nn(C)c1C 252581973 VECLUEIDBOJFEP-CAOSSQGBSA-N 334.464 2.745 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)N1CCC(c2cccc3cnccc23)CC1 369345827 SUVNIOWODVSZAL-GOSISDBHSA-N 337.423 2.562 0 50 EFAA COc1cc(NC(=O)c2cnc([C@@H]3CCCO3)s2)ccc1C(=O)O 262979634 PFJZUXNLYZXZRO-NSHDSACASA-N 348.380 2.954 0 50 EFAA O=C(O)c1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1 263442146 DVUPREJSZUFOSP-UHFFFAOYSA-N 337.379 2.848 0 50 EFAA O=C(O)[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@H]1c1ccccc1 901889360 BIMDKEMQECECCG-ZWKOTPCHSA-N 348.406 2.772 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4nc[nH]c4c3)C1)CC2 1704304969 NYSCEXADIZDZSA-FQEVSTJZSA-N 347.422 2.782 0 50 EFAA CCc1nc2c(C(=O)N3CC(F)(c4ccccc4F)C3)ccnc2[nH]1 820264438 MVHWHRYLNANUIP-UHFFFAOYSA-N 342.349 2.980 0 50 EFAA CC[C@@H](c1ccccc1)N1CCN(C(=O)c2nc[nH]c3nccc2-3)CC1 949108972 VLJIOLKEXOHTDP-KRWDZBQOSA-N 349.438 2.819 0 50 EFAA COC1(c2noc(-c3cc(-c4cccc(O)c4)on3)n2)CCOCC1 874434702 AOGSPRQISCUMKZ-UHFFFAOYSA-N 343.339 2.749 0 50 EFAA COCCn1nnc2c1C[C@@H](c1nc(C(C)(C)C3CCC3)no1)CC2 952893382 IVWHPCJCEFCOFI-LBPRGKRZSA-N 345.447 2.658 0 50 EFAA CC(C)c1ccccc1NC(=O)CN1CC[C@H](O)[C@@]12CCSC2 1875267328 UYHRGEOIRXMNGD-WMZOPIPTSA-N 334.485 2.691 0 50 EFAA COc1nc2ccccc2n1S(=O)(=O)c1ccc2cc[nH]c2c1 1875387076 NBKZRGBCHVSSAF-UHFFFAOYSA-N 327.365 2.763 0 50 EFAA CC[C@H]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875301049 BBUFBPCGXQTRTF-XUWVNRHRSA-N 344.521 2.858 0 50 EFAA O=C(O)c1coc2cc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCO3)[nH]c12 1875405811 OUORWCIGVQVFDA-OLZOCXBDSA-N 332.356 2.633 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc[nH]c2C2CC2)C1 886056857 XLZLORCRAHJCNA-GOEBONIOSA-N 341.411 2.596 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 202675 GOPDTJMAMUZZSL-KDOFPFPSSA-N 333.384 2.525 0 50 EFAA biogenic CN(C(=O)c1c(C2CC2)nc2sccn12)[C@H]1CCN(C2CC2)C1 2325748160 SNTCCVSIBQKGRO-ZDUSSCGKSA-N 330.457 2.582 0 50 EFAA NCCCN(CC1CCCC1)C(=O)C[C@@H]1CC[C@@H]2CNCC[C@H]2C1 2325778821 RFAFFMQAFPCGNF-CEXWTWQISA-N 335.536 2.770 0 50 EFAA CCc1nccn1CCN=c1[nH]cc(Br)c2cccnc12 2325790686 ACFQDAYQMQUFJG-UHFFFAOYSA-N 346.232 2.685 0 50 EFAA CC[C@](C)(NC(=O)Nc1cnn2cccnc12)c1nc(C)cs1 2325810412 JTCUVKSJHDYVRR-HNNXBMFYSA-N 330.417 2.941 0 50 EFAA O=C(Nc1cnc(-c2ccccc2)nc1)c1ncoc1[C@H]1CCCN1 2325856378 MXEYXMNGWSGOTD-CQSZACIVSA-N 335.367 2.808 0 50 EFAA COc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 256954 RKCXQHBLFWWRPA-UHFFFAOYSA-N 339.439 2.846 0 50 EFAA O=C(COC[C@@H]1CCCO1)Nc1n[nH]c2cc(C(F)(F)F)ccc12 2356135268 WSOUNPPZWYKKQX-JTQLQIEISA-N 343.305 2.716 0 50 EFAA COC[C@@H](C)NCc1ccc(OC)c(-c2ccc(CCN)cc2)c1 2356162881 NAWIXWJPUZGAGC-OAHLLOKOSA-N 328.456 2.988 0 50 EFAA Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NS(C)(=O)=O 10314190 SMGPTMIQPCXHBQ-UHFFFAOYSA-N 336.457 2.987 0 50 EFAA O=C(NCc1ccccn1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2777941 NEACJHMQSJBVLK-UHFFFAOYSA-N 343.337 2.869 0 50 EFAA O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCOCC1 20100597 NWVVULBRUQBXDN-UHFFFAOYSA-N 340.826 2.550 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC([C@@H](O)C(C)C)CC2)c1 55099174 XCYOREIAKBERGV-SFHVURJKSA-N 332.444 2.904 0 50 EFAA CC(C)c1noc(CCNC(=O)N2CCc3ccccc3CC2)n1 116549048 ZANMPWGMEKBRBH-UHFFFAOYSA-N 328.416 2.546 0 50 EFAA COc1ccc2c(c1)C[C@@H](NCCn1ncc3ccccc3c1=O)CC2 67641566 CKKANXYYXINBIW-SFHVURJKSA-N 349.434 2.552 0 50 EFAA CC[C@@H](C(=O)N1CCCOc2c(cccc2OC)C1)n1cccn1 67851490 ZFFQQJFMUWPFAT-HNNXBMFYSA-N 329.400 2.654 0 50 EFAA CCc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)o1 20454491 LWIFEZOKWGIGOE-INIZCTEOSA-N 332.444 2.812 0 50 EFAA Cc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)nc(N)n1 67696964 BDMPZBOKIRDNMP-UHFFFAOYSA-N 340.471 2.969 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3c2cnn3C)c(OC)cc1SC 65386402 XSHCLGICWBCRKH-SECBINFHSA-N 333.413 2.633 0 50 EFAA CCN1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 253404265 IHMGFIHYGMMVKP-LRDDRELGSA-N 334.851 2.790 0 50 EFAA CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1nnn(C)c1C 425160259 LIGBQCIPFDGJJO-UHFFFAOYSA-N 340.349 2.847 0 50 EFAA CCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72159000 IMVMUBQALJUYCX-SFHVURJKSA-N 340.423 2.718 0 50 EFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCN(C2CCCC2)CC1 216488773 CUKDNZJKCKZCRT-LJQANCHMSA-N 341.499 2.854 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)cn1 72429675 IUQRJFWUXWBPLE-OAHLLOKOSA-N 344.411 2.571 0 50 EFAA CO[C@@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1(C)C 1364199793 JEAVZNJPDBTGCC-QGZVFWFLSA-N 342.443 2.829 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 215687872 GQAHECMHKFRKNI-ZDUSSCGKSA-N 334.379 2.693 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCN1CCCc2ccccc21 156728914 IJMMCHLPSARDRP-SFHVURJKSA-N 349.434 2.602 0 50 EFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2cc(C)ccc2C)CC1 332239299 IGBCJOFHBBUQFN-SFHVURJKSA-N 332.444 2.591 0 50 EFAA Cc1nc[nH]c1-c1cc(-c2cc(CC(=O)O)cs2)nc(N)c1C#N 71614398 OOKPCELFPAIUHY-UHFFFAOYSA-N 339.380 2.590 0 50 EFAA CC[C@@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1ccc(C)cn1 219779808 KEPUSTLMHDFXPI-OAHLLOKOSA-N 328.416 2.673 0 50 EFAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cncc(F)c1 127484845 KZHNQUYMMSRKLU-UHFFFAOYSA-N 329.306 2.987 0 50 EFAA O=C(OC[C@H]1CCCCN1C(=O)/C=C/c1cccnc1)N1CCCC1 376490332 YHMGUWPGAHFQKB-KBOKABMXSA-N 343.427 2.708 0 50 EFAA O=C(c1cc(F)cc2nccnc12)N1CCC(c2cn[nH]c2)CC1 377754289 QNPINUYYUAMGSD-UHFFFAOYSA-N 325.347 2.512 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CC[C@H](N)C[C@H]3C)c2)cc1 237448075 OWRMVNUZXYHBLH-DYVFJYSZSA-N 325.412 2.709 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 237526964 DRKKZADSKAKLOR-HMVFGEFZSA-N 327.302 2.956 0 50 EFAA Cc1cnc([C@@H](NC(=O)c2ccc(C(=O)O)c(C)n2)C2CC2)s1 448986665 PLTCAXCKSTYDKU-ZDUSSCGKSA-N 331.397 2.734 0 50 EFAA COCc1cc(C(=O)N[C@@H](c2ccccc2)c2nccs2)no1 173068466 UNLIQFIXUZKRBX-AWEZNQCLSA-N 329.381 2.797 0 50 EFAA Cc1cc(N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)n1 77440473 ZNIQPRZUJZFXFG-IBGZPJMESA-N 345.491 2.622 0 50 EFAA Cc1ccc(C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)c(C)c1 48379574 GFPMVXJDWQCWKX-UHFFFAOYSA-N 341.459 2.566 0 50 EFAA Cc1ccc(C)c(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1 222963711 ADJZMHOENYMWRU-OALUTQOASA-N 331.456 2.794 0 50 EFAA CN[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 132833697 DFMFOVTWXXMMPE-INIZCTEOSA-N 340.398 2.881 0 50 EFAA CC(C)n1cc([C@]2(O)CCN(Cc3cc(F)cc(Cl)c3)C2)nn1 285605285 UYMSDUVMEBKVAL-INIZCTEOSA-N 338.814 2.745 0 50 EFAA CCOc1ccc(Cl)cc1CN(C)C(=O)NCc1nnc(C)o1 426434469 NIDAQKSHHGJPTR-UHFFFAOYSA-N 338.795 2.772 0 50 EFAA CN(C)C(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1 47977456 JEPZCZOFYWMEIE-UHFFFAOYSA-N 332.429 2.628 0 50 EFAA CCn1cc(CN(CCOC)C(=O)NCc2sccc2C)cn1 426514820 OXKACGOREJPKBJ-UHFFFAOYSA-N 336.461 2.631 0 50 EFAA Cc1cnc2c(Cl)c(C(=O)N[C@H]3COC4(CCCCC4)C3)nn2c1 426487989 KOKPINDBCFHHHZ-GFCCVEGCSA-N 348.834 2.913 0 50 EFAA Cc1ccn2cc(CNC(=O)N(C)CCc3scnc3C)nc2c1 426612555 GZVRUOWOSQBHBE-UHFFFAOYSA-N 343.456 2.792 0 50 EFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1OCCc2ccccc21 237656867 VETCDBMKLOPYOA-PKOBYXMFSA-N 339.391 2.941 0 50 EFAA Cc1cc(CN(C)Cc2c(-c3cc(C)on3)nn(C)c2Cl)on1 97474862 GXPLLNDBQUBQII-UHFFFAOYSA-N 335.795 2.965 0 50 EFAA CC1(C)C[C@]1(c1ccc(F)cc1)c1nc(CN2CCOCC2)no1 96180796 QIPNHTZFBJROEJ-SFHVURJKSA-N 331.391 2.757 0 50 EFAA CS[C@H](C)CCN1CCC2(CCC(=O)N(CCCCO)C2)CC1 91350533 ZSOUZJRBGFJBQS-MRXNPFEDSA-N 342.549 2.605 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)N(C)Cc1noc(CC(C)C)n1 92077442 CTDYSASXNCZECF-UHFFFAOYSA-N 333.436 2.880 0 50 EFAA Nc1nc(CCC(=O)N2CCC(c3cccc(O)c3)CC2)cs1 97528877 VDZSIZLHEOLUHH-UHFFFAOYSA-N 331.441 2.770 0 50 EFAA CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1 95742857 JAVXOHKAALBEQH-RKDXNWHRSA-N 330.766 2.879 0 50 EFAA Cc1cccc(=O)n1CCCNC(=O)c1ccc([C@H]2CCCO2)s1 92081368 TWBNHRXPYXNUCO-CQSZACIVSA-N 346.452 2.890 0 50 EFAA Cc1nc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)oc1-c1ccccc1 237624771 BSWPHGZIAYUGPE-LJQANCHMSA-N 342.395 2.906 0 50 EFAA Cc1c(CNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cnn1C 179163278 WMMMGXBFXIHNKP-CQSZACIVSA-N 334.807 2.705 0 50 EFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cnc(N(C)C)nc1C 95392422 TXDMLUFPHNANDA-INIZCTEOSA-N 340.427 2.837 0 50 EFAA COc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c(OC)c1 244626546 FNPQMJYYEUMSOP-ZRGWGRIASA-N 341.407 2.946 0 50 EFAA Cc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)c(C)s1 244900065 ZVKAFKCPLCPDBW-UHFFFAOYSA-N 332.473 2.953 0 50 EFAA C[C@H](c1ccccn1)N(C)CCC(=O)Nc1nnc(C2CC2)s1 244763896 OXHRQLVEHDIPJL-LLVKDONJSA-N 331.445 2.832 0 50 EFAA CC(=O)N[C@H]1C[C@H](c2cc(NCCc3c[nH]c4ccccc34)ncn2)C1 252537541 LNPLGEZTJLEYAZ-WKILWMFISA-N 349.438 2.995 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 299744606 PJLKWKLNFCCJAA-HNNXBMFYSA-N 341.411 2.518 0 50 EFAA C[C@H](c1cccc(Cl)c1)N1CCC([C@H](O)C(=O)NC2CC2)CC1 299739790 RJNUQTHTNFSMGJ-PXAZEXFGSA-N 336.863 2.753 0 50 EFAA CCC[C@@](C)(N)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 262664063 IAMOAMCLTAJXLP-GOSISDBHSA-N 326.400 2.790 0 50 EFAA Cc1nonc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 299761608 WUMQPESHPCYSLN-CQSZACIVSA-N 334.807 2.598 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)n1 299780799 BHVMURTUVHVBBA-ZDUSSCGKSA-N 341.415 2.897 0 50 EFAA O=C(NCc1nc(-c2ccccn2)no1)c1ccc(-c2cnco2)cc1 670437105 NMHPJECBVDFZDI-UHFFFAOYSA-N 347.334 2.717 0 50 EFAA Cc1csc(S(=O)(=O)N(C)CCCc2c(C)n[nH]c2C)c1 952868461 PDEOXWAWXFLVDV-UHFFFAOYSA-N 327.475 2.650 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)CCCN2CCCCC2=O)c1 952983126 UXQJJIGVVFXIBV-AWEZNQCLSA-N 348.443 2.674 0 50 EFAA O=C(Cc1cccnc1)N1CCCN(c2nc3ccccc3o2)CC1 1057127378 QSQGWIZXOSYVDG-UHFFFAOYSA-N 336.395 2.504 0 50 EFAA COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1cnc(OC)nc1C 410391444 LNYNOCCOZOOSKU-DOTOQJQBSA-N 347.459 2.737 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cc(C)oc2C)C1 221835166 RRCSHZCOIDUIJN-GTQRCTGISA-N 326.462 2.775 0 50 EFAA CC(=O)NCC1CCN(C(=O)[C@H](C)c2cn(C)c3ccccc23)CC1 274588111 IREZVTNTYMIIDT-CQSZACIVSA-N 341.455 2.657 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cnn(C(C)(C)C)c1 275263761 IEDMQTKTUYCHSM-RDJZCZTQSA-N 331.464 2.608 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1Cn1ccnc1 277238945 OGRHUELEPZRXFF-QZTJIDSGSA-N 327.428 2.753 0 50 EFAA Cc1c([C@H](C)NC(=O)CNC[C@H]2CCCO2)oc2ccc(F)cc12 170048845 UFFNHPCFCNLDJQ-GXTWGEPZSA-N 334.391 2.826 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@@]2(CCO[C@@H]2C)O1 279467325 WKVYJFFMKVRPMY-UEKVPHQBSA-N 344.333 2.509 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)CCc2nc(C3CCCC3)no2)n1 186563856 PYIRTICVLFCNQU-LBPRGKRZSA-N 347.419 2.702 0 50 EFAA C[C@H](O[C@H](C)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1)C(=O)O 634943472 BEEZVHQWTSMVIV-SIFCLUCFSA-N 345.439 2.761 0 50 EFAA O=C(NCCc1ccccc1Cl)[C@@H]1COCCN1C1CCCC1 188787635 VAPCOXNSSZLADJ-KRWDZBQOSA-N 336.863 2.642 0 50 EFAA O=C(C[C@@H]1CCCOC1)N1CCN(c2nc3ccccc3s2)CC1 192663629 KQAZCXBPPIUYML-AWEZNQCLSA-N 345.468 2.762 0 50 EFAA CC(C)(C)c1ccc(OC[C@H](O)CN[C@H]2CC[C@@H](CO)CC2)cc1 647525904 BPJVFXOOUXIWSN-BPQIPLTHSA-N 335.488 2.865 0 50 EFAA O=C(c1ccc(F)cc1F)N1CCC(OC[C@@H]2CCOC2)CC1 195560028 NOIIELHNIACPPW-GFCCVEGCSA-N 325.355 2.623 0 50 EFAA C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)C(F)F 657846922 XKXPYZBFWOQRBE-NSHDSACASA-N 334.432 2.706 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N[C@H](c1ccc(Cl)cc1)C1CC1 746189018 LXLGZJXFROIPOK-BZNIZROVSA-N 339.844 2.856 0 50 EFAA C[S@@](=O)C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775758367 QFSDVQYBDAQLOM-RCDICMHDSA-N 337.828 2.895 0 50 EFAA CC(C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 1506413760 VIBLCTDIDZUORZ-SECBINFHSA-N 342.490 2.624 0 50 EFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1F 614461 KTFJSKIITFTJGW-OAHLLOKOSA-N 347.317 2.928 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 1506398340 BXNGBPGRBFIOPE-AWEZNQCLSA-N 334.420 2.700 0 50 EFAA COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(OC)c2)cc1 608672 OAGFXIVBPWXUMQ-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA Cc1nc(O)cc(CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 1529111504 ZLYMCVOCNPLMMD-UHFFFAOYSA-N 341.390 2.886 0 50 EFAA CCc1cnc(N2CC[C@H]3[C@H](CCC(=O)N3CCCSC)C2)nc1 217096569 WBSVDGMGKPEAQN-CVEARBPZSA-N 348.516 2.609 0 50 EFAA CCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O 477226 SYZDQPNTCSOPKH-UHFFFAOYSA-N 331.441 2.521 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 122319691 RQRGPWLKIVHZMB-JTQLQIEISA-N 329.213 2.660 0 50 EFAA COc1ccc(CN(C)C[C@@H]2CCC(=O)N(C)C2)c2cccnc12 1772815372 JVPRGDRQPZLGMA-AWEZNQCLSA-N 327.428 2.544 0 50 EFAA Cc1nc[nH]c1CN(CCO)Cc1ccc(CN2CCCCC2)s1 1772701351 LPJNONAFAFPRTB-UHFFFAOYSA-N 348.516 2.760 0 50 EFAA CCCCN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 5298557 PENZJJNHHUXMTP-CQSZACIVSA-N 329.849 2.769 0 50 EFAA Cc1ccc(S(=O)(=O)NCC2(CC(=O)O)CCCCC2)cc1 11766647 CNTJKVYUZPNHKF-UHFFFAOYSA-N 325.430 2.699 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)C1 11820364 YKSGPDJQFBLYCA-QGZVFWFLSA-N 338.411 2.762 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 16579731 SAWYBMBLOGTXAO-UHFFFAOYSA-N 348.443 2.786 0 50 EFAA O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CN1CCOCC1 19201931 ZLBKXYLXXQSYAS-DUEVJXGLSA-N 330.409 2.569 0 50 EFAA NC(=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 2829255 FVBBOMFLUOYWJX-UHFFFAOYSA-N 339.376 2.659 0 50 EFAA CCn1c(SCC(N)=O)nnc1-c1cn(CC)c2ccccc12 4757927 HGJICFYCDVODIR-UHFFFAOYSA-N 329.429 2.517 0 50 EFAA Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccnc1 6725709 USCVWJBYRUKDNP-UHFFFAOYSA-N 345.472 2.808 0 50 EFAA COc1ccc(-c2nccn2[C@H]2CC(=O)N(C)C2)c(Cl)c1OC 1857689014 BLYAJHSRTPLCCT-JTQLQIEISA-N 335.791 2.624 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(c1ccnc(C(=O)O)c1)CC2 1857701760 OMFYYYFJAZCVHO-UHFFFAOYSA-N 348.406 2.786 0 50 EFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 408029497 CNBQRXVTNMMYKD-NSHDSACASA-N 341.820 2.518 0 50 EFAA CC(C)CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccn1 323905585 IQWYQXGECICPNR-UHFFFAOYSA-N 334.397 2.631 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 237472332 WSQYWXBIZMXBKY-YPMHNXCESA-N 330.350 2.856 0 50 EFAA N[C@@H]1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)C1 237959056 QJWLVQNQMKVZQG-UONOGXRCSA-N 336.863 2.632 0 50 EFAA O=C1[C@@H](Sc2nnc(-c3ccccc3)o2)CCN1C1CCOCC1 241170977 KDFSRAJQHKHKCV-AWEZNQCLSA-N 345.424 2.609 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 136506662 WOJFKSODAKMDSE-CQSZACIVSA-N 341.367 2.693 0 50 EFAA CCOc1ncccc1CNS(=O)(=O)c1cnc2ccccc2c1 252499635 SDDCRZTUBVEDDP-UHFFFAOYSA-N 343.408 2.507 0 50 EFAA CCn1ccnc1CN(C(=O)c1ccoc1C)[C@H]1CC12CCNCC2 355442227 LKHPKNIAKKDNBL-INIZCTEOSA-N 342.443 2.589 0 50 EFAA COc1coc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1=O 253394937 HGTPHYLMSPNTJV-SUMWQHHRSA-N 343.379 2.559 0 50 EFAA COC(=O)c1sc(NC(=O)c2ccnn2-c2ccccc2)nc1C 390833442 HMDQATUYXXHASW-UHFFFAOYSA-N 342.380 2.676 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCC(F)(F)F)C1)CC2 1704325004 IVYKQQIXTMBYJR-HNNXBMFYSA-N 327.350 2.934 0 50 EFAA Cn1ccnc1CN(CCc1cccs1)[C@@H]1CC12CCNCC2 821858115 PEHXIUZIDPDMQD-MRXNPFEDSA-N 330.501 2.668 0 50 EFAA CN(C)C(=O)O[C@@H]1CCCN(c2cc(Nc3ccccc3)ncn2)C1 853653957 BOLNQVVMPLNZOG-OAHLLOKOSA-N 341.415 2.887 0 50 EFAA O=C(Cc1ccc2ncccc2c1)NC[C@@H]1COc2ccccc2O1 1859450193 CALOIORLZPQHQM-MRXNPFEDSA-N 334.375 2.734 0 50 EFAA O=C1OC[C@H]2CN(C(=O)C3c4ccccc4Oc4ccccc43)C[C@@H]12 863766090 KIBDIWHUGNKSPD-IUODEOHRSA-N 335.359 2.556 0 50 EFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1F 952890701 YJFDCNIXEJPNCU-CQSZACIVSA-N 349.337 2.682 0 50 EFAA CC(C)(C)c1cc(=N)[nH]c(=NCc2c[nH]nc2-c2cccc(F)c2)[nH]1 1875334835 HEQWRHGFFIUDFS-UHFFFAOYSA-N 340.406 2.750 0 50 EFAA CN1C(=O)C[C@@H](CN=c2cc[nH]c3ccccc23)[C@@H]1c1cccnc1 886089098 XLFSWAMIBSKULZ-YWZLYKJASA-N 332.407 2.683 0 50 EFAA CCCOc1cccc(CC(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888077741 RWPFJIUICWPGDR-IAGOWNOFSA-N 343.427 2.730 0 50 EFAA O=C(Nc1ccns1)N1CCN(c2ncnc3ccsc23)CC1 889118478 IOBCUNVKDLTGAS-UHFFFAOYSA-N 346.441 2.502 0 50 EFAA O=C(c1cccc2ncsc12)N1CCO[C@@H](c2cccnc2)C1 2100482786 YZYCIONMUAFFMA-OAHLLOKOSA-N 325.393 2.905 0 50 EFAA CN(Cc1nc(-c2ccccc2)n[nH]1)C(=O)[C@@]12CCC[C@@](C)(C1)OC2 2325782652 QZMNLKKCAKLPKL-OALUTQOASA-N 340.427 2.779 0 50 EFAA O=C(N=c1cc2n([nH]1)CCC2)c1ccc(Nc2nccs2)cc1F 2325786864 OSGZAEKQUQHIQM-UHFFFAOYSA-N 343.387 2.843 0 50 EFAA O=C(CCc1sccc1Br)N1CCNCCC12CC2 2325788343 ZPZLRRBBAWYVQI-UHFFFAOYSA-N 343.290 2.798 0 50 EFAA CC1CCC(C(=O)N[C@H](C(=O)NCc2ccccn2)C(C)C)CC1 248120 AUUMHQSQDCDATO-DQPZFDDXSA-N 331.460 2.665 0 50 EFAA O=C(NC(=S)NC[C@@H]1OCCc2ccccc21)c1ccccc1 612601 METHSMHAQHOJQA-INIZCTEOSA-N 326.421 2.605 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(F)ccc2OC)C1=O 2356168302 XVKPBQQSBHQKAC-LJQANCHMSA-N 348.418 2.842 0 50 EFAA Cc1ccc(C(=O)N[C@H](C(N)=O)C23CC4CC(CC(C4)C2)C3)cc1 4006232 RVXTZIYTPFSFIV-SJFHUFEGSA-N 326.440 2.795 0 50 EFAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c1 2798880 PDUIKVQSYOLOAW-UHFFFAOYSA-N 338.367 2.596 0 50 EFAA O=C(NCCCc1ccccc1O)[C@H]1CCCN(Cc2ccco2)C1 55393280 LWDAJLMLNDTFSS-KRWDZBQOSA-N 342.439 2.946 0 50 EFAA COC(=O)c1c(CC(=O)N2C[C@@H](C)CCC[C@H]2C)[nH]c(C(C)=O)c1C 134013942 KLJLRSJIYGFIAN-NWDGAFQWSA-N 348.443 2.892 0 50 EFAA CCCc1nc(CN(CC)C(=O)[C@H](C)n2cnc3ccccc32)no1 55073322 ZIEFQZSRXXHXNI-ZDUSSCGKSA-N 341.415 2.982 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1scc2c1OCCO2 55575374 PJWQYUCZSCDVFD-LLVKDONJSA-N 337.397 2.526 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCCN3CCCC3)cc2)n1 61637941 UIKXRYMCDWMCKT-UHFFFAOYSA-N 340.471 2.764 0 50 EFAA CCCOc1ccccc1C(=O)N(CCC(N)=O)Cc1ccccc1 20119895 LDRKTXGPSYTDCN-UHFFFAOYSA-N 340.423 2.993 0 50 EFAA Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)CC2)s1 247776730 WXQSGXWQOJIRBX-XSIBGMEISA-N 344.480 2.633 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2cccc(F)c2C)n1 67604906 RIPGHGGTWDSEDR-UHFFFAOYSA-N 346.410 2.898 0 50 EFAA OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1F 20452123 JPHGAGROYYVGLI-SFHVURJKSA-N 344.430 2.600 0 50 EFAA CCn1cc(CN2CCc3nnc(-c4ccccc4)n3CC2)c(C)n1 20210198 ZUAWTYGXRRUMSS-UHFFFAOYSA-N 336.443 2.528 0 50 EFAA CCc1cccc(NC(=O)CCN2CCN(c3ccncc3)CC2)c1 65382696 WFBZEMDVRIFGFB-UHFFFAOYSA-N 338.455 2.795 0 50 EFAA CN1C[C@H](CNCc2cn(C)nc2-c2ccncc2)Cc2ccccc21 253432822 OOWVQNOCSYRVPB-INIZCTEOSA-N 347.466 2.880 0 50 EFAA COc1coc(C(=O)NC2(c3nc(C)cs3)CCCC2)cc1=O 281306515 QCLUMNQWARMUDK-UHFFFAOYSA-N 334.397 2.613 0 50 EFAA COc1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)cc1 4053762 FWASOVMWTCKLBJ-UHFFFAOYSA-N 335.363 2.579 0 50 EFAA Cn1c(=O)oc2c(C(=O)N3CC[C@@H](Cc4ccccc4)C3)cccc21 123665174 PQNFRWBUKXIQTR-HNNXBMFYSA-N 336.391 2.836 0 50 EFAA CCn1ccc(C(=O)Nc2sccc2C(=O)NC2CCCC2)n1 6490344 SWPLQJOSRFFQCD-UHFFFAOYSA-N 332.429 2.889 0 50 EFAA Cn1cc(C[C@H]2CCN(C(=O)N[C@@H]3CCc4cc(F)ccc43)C2)cn1 363352891 OYJCHYZOBCMHDF-FZKQIMNGSA-N 342.418 2.821 0 50 EFAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1OC(F)F 218982810 UVUOFCUZQOITPL-GFCCVEGCSA-N 341.354 2.746 0 50 EFAA CCOCc1nc2c(c(N[C@@H](C)c3nc(C)cs3)n1)CCNCC2 72421076 HWGINWLDPRXPMV-LBPRGKRZSA-N 347.488 2.639 0 50 EFAA COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 151122461 QAVKRRGDYYGJBL-PXNSSMCTSA-N 345.439 2.594 0 50 EFAA O=C(C[C@@H]1COCCN1C[C@H](O)c1cccc(F)c1)c1ccccc1 152731794 VGURDRKSZJUONC-QUCCMNQESA-N 343.398 2.833 0 50 EFAA COc1ccc(OC)c([C@@H](O)CNc2cc(C)nc3cc(C)nn23)c1 72479325 SHUWVJKSJWCJBW-HNNXBMFYSA-N 342.399 2.509 0 50 EFAA COCCNc1cc(-c2cc(C)c3nc(C)nn3c2)c2cc[nH]c2n1 72166887 NQSXTDQXOGZQNE-UHFFFAOYSA-N 336.399 2.948 0 50 EFAA Cc1ccc([C@@H]2CN(C(=O)Cc3sc(S)nc3C)CCO2)o1 127220814 WMOKIZLYGZWTBV-LBPRGKRZSA-N 338.454 2.784 0 50 EFAA Cc1cccc(CN2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c1 72476744 XZPGXQUFDVGSQS-OAHLLOKOSA-N 346.862 2.750 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]2SC)C1 240333595 FECAORBDNRSXMT-MIPVDYNUSA-N 332.535 2.650 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 368245456 QAOMXBZGEAELHU-CYBMUJFWSA-N 336.391 2.533 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282489866 JRGCVKVOYQQBHB-NVXWUHKLSA-N 339.370 2.579 0 50 EFAA COCCCCC(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 496173431 VKHSATVPFRQYFC-OLZOCXBDSA-N 328.453 2.611 0 50 EFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@H](C(=O)O)C1 237687998 XRDWHUXGDVXGFQ-NSHDSACASA-N 334.372 2.804 0 50 EFAA Cc1cc(=O)[nH]cc1C(=O)Nc1cnn(-c2ccccc2F)c1C 129564317 YLQJOZPZEXRVMM-UHFFFAOYSA-N 326.331 2.569 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cn[nH]c1 339828255 STNGNTNBPXMEPQ-SUMWQHHRSA-N 330.407 2.781 0 50 EFAA Cc1cc(N(C)C)nc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)n1 282527961 BRJHMPBABRIGRT-CYBMUJFWSA-N 343.435 2.560 0 50 EFAA CNC[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 159040126 UVXXHWCKTJTCBM-CYBMUJFWSA-N 344.377 2.976 0 50 EFAA CCc1ccc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)cc1 173053623 OHDQYWLNSIFYNF-UHFFFAOYSA-N 326.396 2.860 0 50 EFAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCC[C@H](CCC(=O)O)C2)CCC[C@H]1C 263204337 XWOURJGVYCCWCV-HMDCTGQHSA-N 338.492 2.893 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)C1CCC(Cn2cnnn2)CC1 40267455 AQPUENQKYIFSLE-ZLPCBKJTSA-N 341.459 2.617 0 50 EFAA Cc1nc2ccccn2c1-c1nnc2sc(-c3ccncc3)nn12 227143824 LYVNMWVBQUKRIZ-UHFFFAOYSA-N 333.380 2.871 0 50 EFAA Cc1ccc2c(c1)c(CN[C@H]1CCOC3(CCOCC3)C1)nn2C 82137610 BCBNKGXPHFZZDZ-HNNXBMFYSA-N 329.444 2.700 0 50 EFAA COCc1nc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cs1 291215361 OAOATIJYAKEXDV-AWEZNQCLSA-N 331.441 2.989 0 50 EFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCNc1cccnc1 95360727 KAFBRCSKLGOQPJ-FUHWJXTLSA-N 330.476 2.654 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 97568996 PMODTELNBHMPBY-OAHLLOKOSA-N 335.411 2.626 0 50 EFAA CCc1nccn1CCC(=O)N[C@H]1CN(CC=C(C)C)C[C@@H]1C1CC1 91830950 QFGPSOLDAMMSFE-MSOLQXFVSA-N 344.503 2.628 0 50 EFAA Cc1nc(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)cs1 96163480 HMLUYPGTNYCSNS-KSSFIOAISA-N 349.500 2.603 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 178967645 HIANUMNZRPLTHJ-LBPRGKRZSA-N 333.432 2.555 0 50 EFAA C=CC(=O)NCCC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 291916867 KRDURQPODHYQEO-UHFFFAOYSA-N 343.402 2.705 0 50 EFAA Cc1cnccc1N1CCC[C@H](c2nccn2CCCN(C)C)C1 95517645 LDMGACXRZIAYBR-KRWDZBQOSA-N 327.476 2.922 0 50 EFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@H]1CCNC1 179052360 MMZSAEWAUXAESX-CYZMBNFOSA-N 328.334 2.509 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 91876619 LIOKOMVCFBGJFL-UHFFFAOYSA-N 338.810 2.954 0 50 EFAA COCc1cc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n[nH]1 91691738 VPGVTYBKVDLWAR-UHFFFAOYSA-N 339.399 2.527 0 50 EFAA Cc1cc(Br)c2c(c1)[C@](O)(N1CCCC[C@H]1C)C(=O)N2 239121251 JOHVBSNOQSCAAQ-MEBBXXQBSA-N 339.233 2.729 0 50 EFAA COc1ccc2nc(CNC(=O)[C@H](C)n3ccnc3C(C)C)[nH]c2c1 95391223 NPXSAQHVTJLJRB-LBPRGKRZSA-N 341.415 2.769 0 50 EFAA Cn1cc(CN2CCNC(=O)C[C@H]2c2ccccc2)c(C(C)(C)C)n1 179784413 KFPKEHDKXISZGN-KRWDZBQOSA-N 340.471 2.781 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)N(C)Cc3cnc(N)nc3)c2c1 95502878 KVAMTZOOXMPCMP-UHFFFAOYSA-N 335.411 2.804 0 50 EFAA CNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc(SC)cc2)CC1 243901447 BBNLSXUMFYGLNF-SHTZXODSSA-N 334.485 2.620 0 50 EFAA Cc1cccc(CN[C@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 263617386 NMVVLBHXJOBNKT-QGZVFWFLSA-N 338.436 2.952 0 50 EFAA CN(C)Cc1ccc(-c2cccc(C(=O)N(C)Cc3ncc[nH]3)c2)nc1 299792447 DYVTWYWSEGEXDM-UHFFFAOYSA-N 349.438 2.806 0 50 EFAA CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1 642598614 SUDLBZMJSGVSAA-AWEZNQCLSA-N 345.443 2.787 0 50 EFAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)Cn1cccn1 828072090 WCZFATQEHASLCB-AWEZNQCLSA-N 326.400 2.536 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N=[S@@](C)(=O)c1ccc(F)cc1 685944926 IOERKEIXTGOUKD-QHCPKHFHSA-N 344.408 2.724 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 952970809 WTIWXZLJUTYEOV-CYBMUJFWSA-N 348.399 2.504 0 50 EFAA CSc1cc(F)ccc1NC(=O)Cn1ncc(=O)c2ccccc21 1461129574 WVEGXSTULQDJFD-UHFFFAOYSA-N 343.383 2.896 0 50 EFAA Cc1cccc(OC[C@@H](O)CNc2cc(N3CCCCC3)ncn2)c1 301234594 LFHDTNCEQVQLFA-INIZCTEOSA-N 342.443 2.627 0 50 EFAA CC[C@]1(CO)CCCN1C(=O)Nc1cn(C)nc1-c1ccccc1 275983228 FLNKSCKESSFODS-GOSISDBHSA-N 328.416 2.856 0 50 EFAA O=C(/C=C/c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)F)C1 408515659 QOYJESYWYQUBGD-ZZXKWVIFSA-N 338.745 2.925 0 50 EFAA CC[C@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@H]1O 271382359 RRUSYAHZCBRKKC-IINYFYTJSA-N 341.242 2.777 0 50 EFAA CC(=O)NC[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 170087365 XRZQDDUDTINIOM-JTQLQIEISA-N 346.656 2.850 0 50 EFAA C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cc([C@H]3CCCO3)nn2C)[nH]n1 278925035 HOQOLFQLYQMBHO-GBIKHYSHSA-N 330.392 2.762 0 50 EFAA COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCOC3)CC2)cc1 171026889 NYQGFELRDNSRJF-MRXNPFEDSA-N 331.412 2.543 0 50 EFAA O=C(NCc1ccc(Br)cc1)N[C@H]1CCC[C@@H]1CCO 187044725 DXDIYYNBXANZIZ-OCCSQVGLSA-N 341.249 2.799 0 50 EFAA COc1cccc([C@@H](C(=O)O)N(C)Cc2ccc3c(c2)OCCO3)c1 634690552 NTJHSCZGMKZGGH-SFHVURJKSA-N 343.379 2.724 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)c12 187939279 NIPHURREBCJPFI-FRFSOERESA-N 343.427 2.586 0 50 EFAA CN(CC1(CO)CC1)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 189141606 YYHABQHXLMLZSR-UHFFFAOYSA-N 338.379 2.933 0 50 EFAA CCn1c(C)nnc1CNC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 189951249 AWIRQMCXYIAYBE-HOTGVXAUSA-N 341.503 2.853 0 50 EFAA CC(=O)N1CCc2cc(C(=O)NC[C@](C)(O)C3CCCCC3)ccc21 190458472 CYDLCQQPWFLAAO-FQEVSTJZSA-N 344.455 2.657 0 50 EFAA Cc1noc(C)c1[C@@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 190737176 IOMKJBMSXREYFL-ZBEGNZNMSA-N 342.395 2.823 0 50 EFAA C[C@@H](Cc1ccc(NC(=O)CN2CCCCCCC2=O)cc1)C(=O)O 191401967 TVHKZEUFDFJFLN-AWEZNQCLSA-N 346.427 2.681 0 50 EFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCCc2cccnc21 192839932 YVLDHBUNDQJTOM-FUHWJXTLSA-N 349.434 2.703 0 50 EFAA COc1cccc([C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C(=O)O)c1 659171612 DZTBHXPPVALRGW-IRXDYDNUSA-N 343.354 2.806 0 50 EFAA CO[C@H]1CCNC[C@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1 1616098316 HQVUNIGKBNXGLU-MSOLQXFVSA-N 328.387 2.599 0 50 EFAA CCOc1ccc(-n2c(C)nnc2SCC(=O)N(CC)CC)cc1 620187 BYRFAFDFSOWQNB-UHFFFAOYSA-N 348.472 2.935 0 50 EFAA COc1cccc(C)c1NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC2)C1 222457959 MDBBIOCBXZMALP-CABCVRRESA-N 345.443 2.916 0 50 EFAA CCn1cc(CN2CCC3(CC2)OCCc2cc(OC)ccc23)cn1 1704297681 UZQYAJAFMMACJG-UHFFFAOYSA-N 341.455 2.976 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)CCC(=O)N(C)C 11821887 GNMDSGQHHRBYKD-UHFFFAOYSA-N 341.411 2.667 0 50 EFAA CC(C)NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944716 NFNGPACODJLJMX-ZDUSSCGKSA-N 347.846 2.737 0 50 EFAA Cc1ccccc1CN1CCN(C(=O)[C@@H]2CC=CCC2)CCC1=O 14981842 VIKITGDYBMSBEN-QGZVFWFLSA-N 326.440 2.912 0 50 EFAA COc1cccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1 19564581 LTHOMLDLQXMSTF-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1C 19790835 IACMEBPLMXVSSN-FQEVSTJZSA-N 340.467 2.865 0 50 EFAA COCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1 2853016 LFWPPANLKVZPEZ-UHFFFAOYSA-N 326.396 2.634 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)oc2c1 1857697981 BZERWFYXEZLMHH-UKPHBRMFSA-N 329.396 2.662 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)nc2ccccn12 1857711367 VVCHDLBMAIEZSP-OAHLLOKOSA-N 348.406 2.773 0 50 EFAA OCCOc1cccc(-c2nccn2[C@@H](CO)c2ccc(F)cc2)c1 1857729700 IEVPEGCWNCGBSX-SFHVURJKSA-N 342.370 2.642 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1 1875243649 QKWWJLQRVBQCJX-TVKQPGBESA-N 329.440 2.596 0 50 EFAA Cc1ccccc1-c1nc(CNC(=O)c2cn(C)nc2C(C)C)no1 225422354 ANWPZWURNUOFSO-UHFFFAOYSA-N 339.399 2.832 0 50 EFAA O=C(O)c1cnc(NCc2cccc(N3CCOCC3)c2)c(Cl)c1 647455975 XENZENZRSRJXIF-UHFFFAOYSA-N 347.802 2.882 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1 238057437 QIZSGXZGKNPYQW-HNNXBMFYSA-N 340.379 2.746 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)no1 132344893 MIIRGBXNXKIQBE-MRVPVSSYSA-N 331.763 2.913 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN1c1nnc(Cc2ccc(F)cc2)s1 134896752 CSTWMVAUXQKVEL-CQSZACIVSA-N 346.431 2.515 0 50 EFAA COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 363272369 CITPDEKXRHKZFI-HNNXBMFYSA-N 346.377 2.911 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 378353756 YBYYYWRRNKENOO-OAHLLOKOSA-N 330.432 2.695 0 50 EFAA CC(C)[C@@H](NC(=O)COc1cccnc1)c1ccc2c(c1)OCCO2 263937593 TYISOPQKFKYYNH-LJQANCHMSA-N 342.395 2.745 0 50 EFAA COC(=O)c1cc(-c2ccccc2)nn1Cc1nc(C(C)C)no1 952878438 DSLZMGXMSCALGK-UHFFFAOYSA-N 326.356 2.891 0 50 EFAA CN(C(=O)c1cc2n(n1)CCOC2)c1cccc(OC(F)(F)F)c1 1875266531 MFPLDJGUCFQXNH-UHFFFAOYSA-N 341.289 2.589 0 50 EFAA Cc1nn(C)cc1-c1ccc(=NC(=O)c2cccc3c2CCCC3)[nH]n1 1875274419 LMYIHIIFWHQIKH-UHFFFAOYSA-N 347.422 2.739 0 50 EFAA Cn1cc([C@H](O)CNCc2c(Cl)cccc2Br)cn1 1875284644 DGFYRAKNBZCYIW-CYBMUJFWSA-N 344.640 2.659 0 50 EFAA N[C@H](C(=O)NCc1ccc2c(c1)CNC2)c1cccc(C(F)(F)F)c1 876826450 VBTBPZMGFVWPOM-INIZCTEOSA-N 349.356 2.625 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[nH]n2)[nH]1 1875343992 AWRBTZIDRAHERY-UHFFFAOYSA-N 340.240 2.605 0 50 EFAA COC(=O)/C=C/CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F 1875311486 ASLDZDDNZYCXMY-FNORWQNLSA-N 347.337 2.506 0 50 EFAA O=C(N[C@@H]1CSc2ccccc21)[C@H]1CC(C2CCOCC2)=NO1 1875300797 QWDCOABRLODGPG-HUUCEWRRSA-N 332.425 2.521 0 50 EFAA CC[C@@H](CC(=O)NS(=O)(=O)[C@H](C)C(F)(F)F)c1ccccc1 888099447 KBTLPTIPYXQSIZ-MNOVXSKESA-N 337.363 2.967 0 50 EFAA O=S(=O)(NC1CC(N2CCCCC2)C1)C1=Cc2ccccc2CC1 1775989638 DEZYJPKQIAKMTN-UHFFFAOYSA-N 346.496 2.910 0 50 EFAA CCOC(=O)c1n[nH]cc1CSc1nnc(-c2ccoc2C)o1 1775989740 AJNMSDNBGLSFTP-UHFFFAOYSA-N 334.357 2.830 0 50 EFAA O=C(CC1c2ccccc2Oc2ccccc21)NN1CCCNC1=O 2325732143 HWFRETAPEQTLNB-UHFFFAOYSA-N 337.379 2.761 0 50 EFAA NC1CC2(C1)[C@H]1CCCN1CCN2C(=O)C1CC2(C1)CC1(CCC1)C2 2325766184 SOMJYJHCRYIPKW-BQIYRTECSA-N 343.515 2.513 0 50 EFAA CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 116077 HPGYZSSWFQWLGB-DOTOQJQBSA-N 344.411 2.599 0 50 EFAA COc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1Cl 309577 WJMOWLVOJNOVSG-UHFFFAOYSA-N 335.816 2.548 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@]34CCCNC4=O)c2)n1 2356142307 MZUYLDXLODWALI-FQEVSTJZSA-N 338.455 2.734 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 4535154 SIUFMANCZYJGMU-UHFFFAOYSA-N 332.360 2.945 0 50 EFAA CCC[C@H](CC)S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 225549549 QYBBENMKFFFLOD-LSDHHAIUSA-N 328.478 2.915 0 50 EFAA CCOC(=O)[C@@H](C)[C@@H](C)Nc1ccc2nnc(-c3ccsc3)n2n1 225514565 ATXVKEVFQRVLNU-WDEREUQCSA-N 345.428 2.852 0 50 EFAA Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20745015 IFAMNDGRODSSLP-HNNXBMFYSA-N 347.378 2.776 0 50 EFAA COc1ccc(OC)c(CN(CCO)C(=O)C[C@H]2CC[C@@H](C)C2)c1 133970611 UWYUHYKKKLWFAV-CABCVRRESA-N 335.444 2.851 0 50 EFAA Cc1cccc(-c2noc([C@H](C)NC(=O)COc3cccnc3)n2)c1 67894885 SMZNXRCYAMRDTO-ZDUSSCGKSA-N 338.367 2.696 0 50 EFAA CCc1[nH]c2c(CNC(=O)CCn3cncn3)cc(C)cc2c1C 11954174 KHGMEJSLXDDOPZ-UHFFFAOYSA-N 325.416 2.645 0 50 EFAA O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@@H]1c1ccccn1)OCO3 67770975 IGVBBKGTVKHIEN-QGZVFWFLSA-N 349.390 2.989 0 50 EFAA CC1=NO[C@](C)(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)C1 67850371 XRQVOJOMSAOMNZ-SFHVURJKSA-N 343.358 2.920 0 50 EFAA O=C(c1cccc(=O)[nH]1)N(Cc1ccccc1)Cc1nccs1 63847601 SDPHKGWOONDLKB-UHFFFAOYSA-N 325.393 2.674 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2cc(=O)c3ccccc3o2)on1 67833953 FEHYFXVIMFWSLA-UHFFFAOYSA-N 326.352 2.910 0 50 EFAA CC(=O)Nc1ccc(F)c(C(=O)NC[C@](C)(O)C2CCCCC2)c1 252484685 GEPPAKKXMGWMOE-SFHVURJKSA-N 336.407 2.845 0 50 EFAA CC(C)COC[C@H](NC(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1ccco1 252669553 HWGOPZAZUPSCDX-SMLCLMEVSA-N 348.443 2.812 0 50 EFAA C[C@H](Cn1cncn1)Nc1cc(-c2ccccc2F)nc2ccnn12 72154152 IRUGOKKESZGVLQ-GFCCVEGCSA-N 337.362 2.628 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(C2CCCCC2)CC1 328629021 HTZQDFCACMJCFF-OXJNMPFZSA-N 346.519 2.884 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1CC=CCC1 328629804 PEPLNVHGDXHWTQ-XYJFISCASA-N 330.476 2.618 0 50 EFAA CSc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3C)c(C)o2)cc1 71770928 PTQUBCSRWJKHNR-NSHDSACASA-N 331.441 2.692 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1(Cn2cccn2)CC1 71415815 IJJBTILAFKLECP-UHFFFAOYSA-N 326.375 2.942 0 50 EFAA CCc1nccn1[C@@H]1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)C1 329280005 LWZAUSXBYMDQKY-MRXNPFEDSA-N 337.427 2.728 0 50 EFAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cn1 363630906 BTZVRMYJBJSICW-HNNXBMFYSA-N 331.464 2.866 0 50 EFAA CN(C)c1cccc([C@H]2CCCN2C(=O)c2cnc(N(C)C)cn2)c1 331946584 OTLMLLKNOIVKCK-QGZVFWFLSA-N 339.443 2.586 0 50 EFAA O=C(O)COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1Cl 364051382 JRKZMRNCNKBBSS-HNNXBMFYSA-N 347.754 2.746 0 50 EFAA O=S(=O)(c1ccccc1)N1CCC(c2noc(C3CC3)n2)CC1 364021203 BWZVQAJDLPGNIY-UHFFFAOYSA-N 333.413 2.515 0 50 EFAA Cc1ncc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)s1 39388245 YLOSJSDRNOLJMD-CQSZACIVSA-N 337.514 2.582 0 50 EFAA c1ccc(CN2CCN(CCn3ccnc3-c3ccncc3)CC2)cc1 72417965 VXYVLKGPDDXUGP-UHFFFAOYSA-N 347.466 2.763 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)CCCc2cn[nH]c2)CC1 77516371 UPSYFZTULPZSFL-UHFFFAOYSA-N 326.444 2.780 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCCN(CC2CC2)[C@@H](C(C)C)C1 71751181 PMQAQDWNQFDFIM-GOSISDBHSA-N 332.492 2.945 0 50 EFAA COC[C@@H]1CCCN(S(=O)(=O)c2ccc3nc(C)sc3c2)C1 332599959 QJQJWWPPRROGMD-GFCCVEGCSA-N 340.470 2.652 0 50 EFAA O=C(NCc1ccccc1OCC1CC1)c1cnn2c1CCCC2 127070281 PEVHNHFVIRQTDN-UHFFFAOYSA-N 325.412 2.938 0 50 EFAA Cc1nc(C)c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)s1 77424605 RWOPDKFEMSFVQC-INIZCTEOSA-N 329.469 2.889 0 50 EFAA COc1cc2c(cc1CN[C@H](c1nccn1C)C1CC1)O[C@@H](C)C2 127560981 JMVJGYOMEVMVES-SGTLLEGYSA-N 327.428 2.993 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)COC[C@@H]1CCCO1 72454659 IMZHJHOOZCYWNR-INIZCTEOSA-N 346.452 2.964 0 50 EFAA CCc1ccc(-c2ccc(C(=O)N3CCO[C@H](CC(=O)O)C3)o2)cc1 236986289 JMDZPRJPBXNISJ-OAHLLOKOSA-N 343.379 2.825 0 50 EFAA O=C(CCCn1cncn1)NCCc1nc(-c2ccccc2)cs1 215058397 FHKQAXMCWFFLPD-UHFFFAOYSA-N 341.440 2.541 0 50 EFAA Cn1cc(-c2cc(F)ccc2NC(=O)C(F)(F)C2(O)CCC2)cn1 373653265 IOSRMGOKNWTRKV-UHFFFAOYSA-N 339.317 2.715 0 50 EFAA Cn1nnc2cc(C(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)cnc21 333985222 FUUMYLDJBMVDRQ-MRXNPFEDSA-N 347.422 2.773 0 50 EFAA Cc1cccc2cc(C(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)oc12 334061699 YUKORFZLGIEUMR-GFCCVEGCSA-N 326.356 2.585 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)c2c(C)n[nH]c2C2CC2)CC1 77375998 BPXOOZUMWLHVQZ-UHFFFAOYSA-N 339.443 2.651 0 50 EFAA CCCn1cnnc1CN(C)Cc1nccn1-c1ccc(OC)cc1 215934213 BSRSVVTYMQXEPT-UHFFFAOYSA-N 340.431 2.514 0 50 EFAA COCc1cc(NC(=O)[C@H]2OCCc3ccccc32)cc(C(=O)O)c1 263067038 IRZCWTAKEOTDBM-KRWDZBQOSA-N 341.363 2.784 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 263055220 FWASGBLUYRLQNX-OAHLLOKOSA-N 341.411 2.648 0 50 EFAA CNC(=O)c1ccc(OC)c(NCc2nc(-c3cccs3)n[nH]2)c1 158721747 BOOXAIBCASMLAS-UHFFFAOYSA-N 343.412 2.514 0 50 EFAA C[C@H](NC(=O)NCc1noc2c1CCCC2)[C@H]1COc2ccccc21 376978477 MKVZXFHVHNAFRO-SWLSCSKDSA-N 341.411 2.917 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C(=O)O)c1 263196762 YELSKVRCARQRFM-QZTJIDSGSA-N 339.391 2.859 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1CCN(c2nc3ccccc3o2)CC1 337345148 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2.782 0 50 EFAA CN1CCC[C@H](CCC(=O)NCCc2nc3c(s2)CCCC3)C1 95386657 JEWGNFSSXVDTTJ-CQSZACIVSA-N 335.517 2.803 0 50 EFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1[C@@H](C)n1cncn1 95506459 GYBSGAQQYBKTJK-CQSZACIVSA-N 340.431 2.878 0 50 EFAA C[C@@H]1CN(CCOc2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 92081605 CVUZHLVKCQZNIK-BEFAXECRSA-N 337.435 2.704 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)ccn1 91452208 GUDGWOFIPXEJLZ-MRXNPFEDSA-N 336.395 2.954 0 50 EFAA O=C(O)c1ccnc(N2CCN(c3nc4ccccc4s3)CC2)c1 95504655 MCXOIEIQFHMKGK-UHFFFAOYSA-N 340.408 2.716 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)s1 292869242 BTJOIRXULZDNHV-LBPRGKRZSA-N 345.877 2.851 0 50 EFAA CCC1=NO[C@H](CNC(=O)Nc2cccc(-c3nc(CC)no3)c2)C1 97632018 YHLBJKJNQXNHSI-AWEZNQCLSA-N 343.387 2.975 0 50 EFAA CCOC(=O)c1csc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1 293026572 VSUUKPFNWGUAJD-AAEUAGOBSA-N 326.462 2.549 0 50 EFAA C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F 237402607 GHNVFDJZZOSTQQ-PWSUYJOCSA-N 336.379 2.596 0 50 EFAA 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346.349 2.994 0 50 EFAA CCN([C@H](C)CC(=O)O)S(=O)(=O)c1ccccc1C(F)(F)F 275214534 CPOVAXASKDFZRZ-SECBINFHSA-N 339.335 2.579 0 50 EFAA Nc1ccc2c(c1)CCC[C@H]2NC(=O)CN1CCCCCCC1=O 186636341 KFDJOXBPBKDVQQ-QGZVFWFLSA-N 329.444 2.555 0 50 EFAA Cc1cc(C)c(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)o1 188181880 HZFSQLCAOODZBT-HXUWFJFHSA-N 342.439 2.605 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccc(C)cc1 193182144 ORYTWAOWLGAWFB-IRXDYDNUSA-N 329.444 2.899 0 50 EFAA CCOC(=O)CN(C(=O)c1ncccc1Br)C(C)(C)C 193824857 WLNUBTBGULEJNB-UHFFFAOYSA-N 343.221 2.648 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CCc2ccccc21 650768064 NBCNOJGCSUZBJH-KDOFPFPSSA-N 326.440 2.576 0 50 EFAA COCCN1CCC[C@H](CNc2nnc(-c3ccccc3)s2)C1 1506416484 BSMGZXRTUULHBG-CQSZACIVSA-N 332.473 2.975 0 50 EFAA CN(C)CCc1nnc(NC(=O)C[C@@H]2CCc3ccccc32)s1 1506428419 OWWHSKGZMDSSAS-ZDUSSCGKSA-N 330.457 2.701 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c(C)c1 1529120062 RSKBJSXFOKSAMU-UXHICEINSA-N 338.451 2.693 0 50 EFAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 452561 IHPLVKGVVJSKBS-UHFFFAOYSA-N 331.372 2.911 0 50 EFAA O=C1Nc2ccccc2/C1=C1/SC(=O)N(c2cccc(O)c2)C1=O 1242713 YCRVFPHMVHWHIZ-YPKPFQOOSA-N 338.344 2.955 0 50 EFAA COc1cc(C(=O)N2CCC(C3(O)CC3)CC2)nc2ccccc12 1772813461 BEULZGWHYSAXBX-UHFFFAOYSA-N 326.396 2.621 0 50 EFAA Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)O 11851431 CFIXWXTUYNTTHT-UHFFFAOYSA-N 332.790 2.604 0 50 EFAA Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 12587803 RFICXYYAQJSDBQ-CYBMUJFWSA-N 347.802 2.695 0 50 EFAA CCn1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1 12591622 QYCCCRCUJSOQOL-UHFFFAOYSA-N 349.438 2.864 0 50 EFAA Cc1cc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)no1 12864203 AJRHWYVGAUOLQD-UHFFFAOYSA-N 331.347 2.613 0 50 EFAA Cc1cccc(Nc2nc(N)nc(CSc3nccn3C)n2)c1 18069104 AJMVTEFCEYDLAV-UHFFFAOYSA-N 327.417 2.532 0 50 EFAA CN(Cc1ccccc1)[C@]1(O)C(=O)Nc2c(C(F)(F)F)cccc21 4843104 ILAXXEBMOVOVQF-MRXNPFEDSA-N 336.313 2.935 0 50 EFAA CCCn1c(SCC(N)=O)nnc1-c1csc2c1CCCC2 6726823 QXIHTDZNLWCTKB-UHFFFAOYSA-N 336.486 2.873 0 50 EFAA Cc1ccc(CN(C)C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)o1 154553012 VJPZPRYMXCXGIA-IBGZPJMESA-N 342.439 2.838 0 50 EFAA O=S(=O)(NC[C@H]1CCCCC1(F)F)c1cccc2c1OCC2 331736786 VNFZARWDUSOHKJ-GFCCVEGCSA-N 331.384 2.725 0 50 EFAA OCCN(Cc1ccc(Cl)c(Cl)c1)c1ncnc2[nH]ncc12 301962161 MZBDOXZCLBVMAS-UHFFFAOYSA-N 338.198 2.659 0 50 EFAA C[C@H](CN)CNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 423453599 KUPWGGFDZDSBFD-CQSZACIVSA-N 326.444 2.990 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 430074333 BWWCOUUMNSPNEH-ZWKOTPCHSA-N 349.446 2.927 0 50 EFAA Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCCC13CCOCC3)CCC2 253395078 MDEKYWJOVLYWAN-HZPDHXFCSA-N 346.475 2.717 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN3c3ccccc3)cc12 683729766 BINUHBGTBMKMQR-KRWDZBQOSA-N 335.411 2.884 0 50 EFAA COc1ccc2c(c1)[C@H](C)CN(C(=O)c1cnccc1N(C)C)CC2 368118529 HXXVFZOJDVXLIB-CQSZACIVSA-N 339.439 2.958 0 50 EFAA COc1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)ncn1 935442480 OQQZEZSMBZEQFR-UHFFFAOYSA-N 333.338 2.783 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc(C4CC4)oc3C3CC3)CCO2)o1 935509081 GOJAVMHVEYXULK-HNNXBMFYSA-N 343.383 2.940 0 50 EFAA CN1CCC(c2ncc(C(=O)N3CCC[C@H]3c3cccn3C)[nH]2)CC1 952848397 GKADPEJWDXYGEH-KRWDZBQOSA-N 341.459 2.535 0 50 EFAA Cc1ccc(N(Cc2ccccc2)C(=O)c2c3c(nn2C)CCC3)nn1 1875272530 SJSJSLDVGQQIHP-UHFFFAOYSA-N 347.422 2.854 0 50 EFAA Cc1nnc([C@@H]2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)o1 1875271448 UKQPDMKQCXPUGQ-QLFBSQMISA-N 335.354 2.800 0 50 EFAA C[C@@H]1Cc2cc(F)ccc2CN1C(=O)Nc1cnn2ncccc12 1875345191 VMMAZVPYTSVODF-LLVKDONJSA-N 325.347 2.847 0 50 EFAA CC(C)(O)c1ccc(-c2cccc3c(S(N)(=O)=O)c[nH]c23)c(F)c1 1875334927 KLGMAVGLKXUTIV-UHFFFAOYSA-N 348.399 2.849 0 50 EFAA C[C@H]1CN(Cc2ccc3ccc(Cl)cc3n2)CCS(=O)(=O)C1 878514690 XOVGFLDFPKTSTH-LBPRGKRZSA-N 338.860 2.755 0 50 EFAA COc1ccc([C@H](C)NC(=O)c2c[nH]nc2C2CCOCC2)cc1 888075929 AJLQBMLHIAUQFX-LBPRGKRZSA-N 329.400 2.803 0 50 EFAA Cc1nc2ccccc2n1CCN[C@H]1CC2(CCN(C)CC2)O[C@H]1C 888099209 XASIJIJILLRDRG-YJBOKZPZSA-N 342.487 2.576 0 50 EFAA Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cnc1C 893812339 JVKRNIQVTLSBPT-HNNXBMFYSA-N 330.409 2.598 0 50 EFAA Nc1nnc(CNC(=O)Nc2ccccc2SCC(F)(F)F)o1 1775993582 GGRSUWQSXQGTDO-UHFFFAOYSA-N 347.322 2.628 0 50 EFAA CN(C)c1nc(N2CCC3(CCC[C@H]3N)CC2)nc2ccccc12 2325777357 ZDBHJOZYBXEBQO-MRXNPFEDSA-N 325.460 2.794 0 50 EFAA O=C(O)c1ncoc1[C@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2325803052 MWATYZRHFAHASY-ZDCRXTMVSA-N 340.326 2.718 0 50 EFAA C[C@@H](NC(=O)CCCc1ccc(-c2nc(=O)o[nH]2)cc1)C1(C)CC1 2325822293 OZMWQGDQHWKSQY-GFCCVEGCSA-N 329.400 2.657 0 50 EFAA Cc1cccc(C(=O)N2CC[C@H](NC(=O)c3cc(Cl)c[nH]3)C2)c1F 937676451 ZJWDSUYTWOHMMY-LBPRGKRZSA-N 349.793 2.760 0 50 EFAA COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1574350 LEGVQFQAMCUMQW-UHFFFAOYSA-N 332.352 2.961 0 50 EFAA c1ccc(-c2[nH]nnc2CN2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1 2356159068 KHPDVONVESVOFB-LJQANCHMSA-N 334.427 2.675 0 50 EFAA Cc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1 6715221 WBHDLBQMJQWAHN-UHFFFAOYSA-N 331.426 2.763 0 50 EFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1OC(F)F 8390954 AGVZMWNAYTXHDX-UHFFFAOYSA-N 348.305 2.652 0 50 EFAA CC[C@H]1CN(C(=O)COc2ccc(Br)cc2)CCCO1 225601048 FFNULZUQQFEVQJ-ZDUSSCGKSA-N 342.233 2.855 0 50 EFAA Cc1cccnc1CNC(=O)N(CCN(C)C)Cc1ccccc1 105289108 HRALGGFKJMGUAD-UHFFFAOYSA-N 326.444 2.663 0 50 EFAA CC[C@@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCCN1 134569278 GCXHJSTYLNIGKA-IBGZPJMESA-N 335.411 2.891 0 50 EFAA Cc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)ccc1O 67909155 ZQKBIAGUXZSSIM-FUHWJXTLSA-N 341.407 2.780 0 50 EFAA O=C(c1ccccn1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67966022 VIAROZCOOCOHDL-UHFFFAOYSA-N 347.374 2.884 0 50 EFAA C[C@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1 23398838 CRLGKFHIFYYPOD-ZDUSSCGKSA-N 326.400 2.915 0 50 EFAA Fc1ccc(Cn2ncc3c2CN(c2noc(C4CC4)n2)C3)cc1 67692093 KQHFFELEHHUJEY-UHFFFAOYSA-N 325.347 2.851 0 50 EFAA Cc1ccc(-c2noc([C@H](C)N3CCO[C@@H](CN(C)C)C3)n2)cc1F 229536002 KQMXIWBFPBFGFZ-ZFWWWQNUSA-N 348.422 2.508 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1 35585230 PFCARVIFJNRSDH-UHFFFAOYSA-N 336.482 2.563 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23C=C(CCCC2)[C@@H]13 216421799 ANXICUYLFIGNSO-BOSXTWCSSA-N 333.391 2.583 0 50 EFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(C)o1 328618709 DYNUJVIDKSLSCV-MAUKXSAKSA-N 344.459 2.785 0 50 EFAA Cc1ccc(Cl)c(OC[C@H](O)CN2C(=O)SC(C)(C)C2=O)c1 253427586 GGBUVDSKVCEJHD-SNVBAGLBSA-N 343.832 2.862 0 50 EFAA CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[C@@H]1CCS(=O)(=O)C1 122900358 SNMCMHWHFNSHLQ-AWEZNQCLSA-N 341.448 2.778 0 50 EFAA O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC2(CCCO2)CC1 71759319 JTRLHXICFYQPOL-SFHVURJKSA-N 328.456 2.648 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)o1 257365945 CWHQKXPWLONDGQ-XYVMCAHJSA-N 346.471 2.515 0 50 EFAA CC(=O)NCCCC(=O)N1CCC(Sc2cccc(C)c2)CC1 77518651 YHKOYRYMECGRCO-UHFFFAOYSA-N 334.485 2.994 0 50 EFAA O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCc2n[nH]cc21 363935051 ZVIJWWCTLHHPCO-OAHLLOKOSA-N 342.418 2.740 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cccc3[nH]ncc23)c1 337529615 ZQDOHWYPXPVRIK-ACJLOTCBSA-N 337.379 2.520 0 50 EFAA CCc1nc(NC(=O)CN2CCC[C@@]3(CCCCO3)C2)sc1C 373178797 IPKRUNKPGFMGRF-KRWDZBQOSA-N 337.489 2.988 0 50 EFAA Cc1cccc2oc(CCN[C@@H](C(N)=O)c3ccc(F)cc3)nc12 242339265 ZGJNGYAUIHNWTL-QGZVFWFLSA-N 327.359 2.634 0 50 EFAA CN1C(=O)CC[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 377192978 NGEYGAQJLMGZQD-KRWDZBQOSA-N 343.402 2.634 0 50 EFAA CO[C@H]1CCCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 378637096 ZDWYPIOZASMZNU-INIZCTEOSA-N 331.416 2.612 0 50 EFAA Cc1cccc(OC2(C(=O)O)CCN(c3ccc(C)nn3)CC2)c1 72481234 PSSGKMFWLBONCC-UHFFFAOYSA-N 327.384 2.596 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@H](c2ccccn2)C1 496159181 IDWZNZINVFTHOZ-GDBMZVCRSA-N 345.443 2.797 0 50 EFAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccccc2OC(C)C)C1 284697175 ZPWYOGFMXTXWJL-ROUUACIJSA-N 346.471 2.686 0 50 EFAA O=C(O)c1cccc(CN2CCN(C(=O)NC3CCCCC3)CC2)c1 263466693 KDSGVBARRXIRCB-UHFFFAOYSA-N 345.443 2.545 0 50 EFAA Cc1ccc(CN2CC[C@H](NCc3ccc(C(=O)O)cc3)C2=O)cc1 263427568 RABGXLSLQNFUOU-SFHVURJKSA-N 338.407 2.584 0 50 EFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)n1 289034026 HFOQJFHIPOHZHG-INIZCTEOSA-N 342.443 2.864 0 50 EFAA CN1CCN(C(=O)CSC[C@@H]2CCCCO2)Cc2ccccc21 263920523 TWNWGARUWWTTHG-INIZCTEOSA-N 334.485 2.767 0 50 EFAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)NCCc1csc(N)n1 426656947 MEBYQEBBQOPSKS-SNVBAGLBSA-N 334.420 2.736 0 50 EFAA O=C(c1[nH]nc2c1CCCC2)N1CCO[C@H](c2ccc(F)cc2)C1 192798022 ZSPZNCVNIULPKZ-INIZCTEOSA-N 329.375 2.641 0 50 EFAA Cn1ccnc1-c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 426698194 HJRQSELNPSCUAK-UHFFFAOYSA-N 335.363 2.746 0 50 EFAA Fc1ccc(-n2nc(-c3ccccc3)nc2C[C@H]2CNCCO2)cc1 96139691 HMESMIPUFIAJOK-KRWDZBQOSA-N 338.386 2.604 0 50 EFAA Cc1cccc(O)c1NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 179560188 YIPYHDRLWRQVHF-QGZVFWFLSA-N 340.423 2.930 0 50 EFAA O=C(c1ccccc1-c1nnn[nH]1)N1CCCC[C@H]1c1cccnc1 97076264 HXJKSUFNANSDOO-INIZCTEOSA-N 334.383 2.629 0 50 EFAA COCC[C@]1(O)CCN(C(=O)CCc2ccccc2Cl)C[C@H]1C 91444999 AVZDJMSACPEJFT-RDTXWAMCSA-N 339.863 2.909 0 50 EFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCn1cc(C)cn1 95370523 PDLWKTNBOVPCMB-INIZCTEOSA-N 339.443 2.871 0 50 EFAA O=C(NC[C@@]1(O)CCCNC1)Nc1cccc(Cc2ccccc2)c1 97713645 YMDGTTZZPNAJKV-HXUWFJFHSA-N 339.439 2.513 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)c1ccc2[nH]c(CO)nc2c1 97217663 XYLLCIBENSVOLP-UHFFFAOYSA-N 348.406 2.782 0 50 EFAA O=C(c1ccoc1)N1CCC(c2nccn2Cc2ccncc2)CC1 95513243 TVCFEEYEUMVCLC-UHFFFAOYSA-N 336.395 2.939 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc[nH]c3C)C2)CCC1=O 91974135 MGLXQEDLQKAHAU-IBGZPJMESA-N 331.460 2.968 0 50 EFAA Cc1cc(C)c(C(=O)N2CCC(CCN3CCCC3=O)CC2)cn1 91493241 WHKSRBOBVRVKQJ-UHFFFAOYSA-N 329.444 2.563 0 50 EFAA COCCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)c1 95526299 OBZFCFNLQSTCRR-HNNXBMFYSA-N 345.403 2.507 0 50 EFAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1C(=O)O 92001980 SOVLHWDKLMIDTF-JKSUJKDBSA-N 343.379 2.845 0 50 EFAA CO[C@H](C)c1nc(C2CCOCC2)nn1Cc1ccc2c(c1)OCO2 97772737 MRADQLFCSWXCGS-GFCCVEGCSA-N 345.399 2.657 0 50 EFAA Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H]2CN)cc1 299739855 SHVGMHZUULWZCE-HNNXBMFYSA-N 329.469 2.919 0 50 EFAA COc1ccc(Cl)cc1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F 183835802 ZPQFHLKWIWZLKH-UHFFFAOYSA-N 347.733 2.977 0 50 EFAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2ccc(F)cc2)no1 299788517 QFZXDQOBZWYNNO-DOMZBBRYSA-N 329.375 2.581 0 50 EFAA O=C(CCCn1cncn1)NCC1(c2cccc(F)c2)CCCC1 299791226 DLWOHWJFSWPSHF-UHFFFAOYSA-N 330.407 2.826 0 50 EFAA Cc1ccc(NC(C)(C)C(=O)NCCCN2CCCC[C@@H]2CO)cc1 828710757 BKJDCSIBYDMNPH-GOSISDBHSA-N 347.503 2.539 0 50 EFAA CC1(C)CC(CC(=O)N2CCN(C3CCCC3)C(=O)C2)CC(C)(C)N1 827942793 DTFLVGKEPMRTCT-UHFFFAOYSA-N 349.519 2.547 0 50 EFAA O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cccnn1 980207911 YDSRBDYWQYCXRJ-FGTMMUONSA-N 336.439 2.507 0 50 EFAA O=C(O)[C@H]1CN(Cc2cn3ccccc3n2)C[C@@H]1c1ccc(F)cc1 1565515409 YNZQAACVILIDLO-SJORKVTESA-N 339.370 2.774 0 50 EFAA O=C(Nc1ccc(Br)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 170624111 QKTOOJLUGWYJOZ-WTTBSCSTSA-N 336.185 2.911 0 50 EFAA COc1ccc(-n2nc(C(=O)N3CC[C@H]3C(F)(F)F)cc2C)cc1 408517601 NJXIIHZZFKNOGX-AWEZNQCLSA-N 339.317 2.966 0 50 EFAA Cn1cc(CCNC(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccc(Cl)cc21 170086504 MXQSGLYRWLYPJY-SWLSCSKDSA-N 347.846 2.610 0 50 EFAA CCc1noc2ncc(C(=O)N3CCc4ccccc4[C@H]3CO)cc12 185636483 FDWPCKMYIOAOIB-QGZVFWFLSA-N 337.379 2.517 0 50 EFAA Cc1cc2c(cc1C)[C@H](C(=O)Nc1cncc(-c3nncn3C)c1)CO2 186635060 JDASDUCRZNGDEU-MRXNPFEDSA-N 349.394 2.609 0 50 EFAA CO[C@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccccc1 187420262 HWQPEWJDQRCPAO-ZWKOTPCHSA-N 332.444 2.975 0 50 EFAA Cc1nn(C)c(C)c1CCCNC(=O)N1CC(C)(C)OC(C)(C)C1 188251593 OMKNJGGBIWVAMP-UHFFFAOYSA-N 336.480 2.569 0 50 EFAA COc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c1F 188713010 AOFVDMTUVLGUBY-NSHDSACASA-N 332.379 2.766 0 50 EFAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1O 188978042 JDXQCMFMLKPFRI-NSHDSACASA-N 345.226 2.686 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1cnc(C(C)(C)C)nc1 657721511 CEVXSJIXETUWLW-DOTOQJQBSA-N 343.475 2.765 0 50 EFAA Cc1ncc2n1C[C@H](C(=O)NCCc1ncc(-c3ccccc3)[nH]1)CC2 1651657732 HYULYMKTNPRKPG-MRXNPFEDSA-N 349.438 2.503 0 50 EFAA CN(Cc1cnc2ccccc2n1)[C@@H]1CCC(=O)N(CC2CC2)CC1 1506402380 QTJCIKRKUFIEET-QGZVFWFLSA-N 338.455 2.853 0 50 EFAA C[C@@H](C1CCN(Cc2nc(C(F)(F)F)no2)CC1)N1CCCC1 1506412810 PAWRMUYGYIFHLS-NSHDSACASA-N 332.370 2.785 0 50 EFAA COc1ccc(C(=O)NCc2nnc(SCC(C)C)n2C)cc1 12279074 GMURNNMBZONMKD-UHFFFAOYSA-N 334.445 2.502 0 50 EFAA Cc1c(C)n(CCN2CCOCC2)c2nc3c(c(N)c12)CCCCC3 12322277 MSQHXASPHNXLDI-UHFFFAOYSA-N 342.487 2.836 0 50 EFAA CCC(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 17248206 SSFIPXRFGKIQIN-UHFFFAOYSA-N 339.443 2.896 0 50 EFAA CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc(C)ccc3[nH]2)C1 19145494 PVIIDWADXVFBAT-BEFAXECRSA-N 339.439 2.949 0 50 EFAA Cc1nnc(NC(=O)CSc2nnc(C(C)C)n2C(C)C)s1 6699950 PHEKJYDQVNVIQC-UHFFFAOYSA-N 340.478 2.873 0 50 EFAA CNC(=O)c1cccnc1N1CCC(CCN2CCCC[C@H]2C)CC1 301695550 ZQQLXJKFOFTUCD-MRXNPFEDSA-N 344.503 2.922 0 50 EFAA C[C@@H]1SCCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1C 118287133 MJWIQIDOCDAIPQ-RYUDHWBXSA-N 333.457 2.531 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 238002612 ITVWWSHNJPCYLU-GFCCVEGCSA-N 325.792 2.822 0 50 EFAA CCC(=O)N1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2O)C1 450137955 WXFZZEHNEFHVRJ-MRXNPFEDSA-N 340.423 2.605 0 50 EFAA O=C(c1cncc2ccccc12)N1CCC[C@H](N2CCCCC2=O)C1 370984482 HLLZPPRWPCICGY-INIZCTEOSA-N 337.423 2.852 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCC([C@H]3CCCOC3)CC2)c1F 371599445 XBYVRCLIDJRFFH-HNNXBMFYSA-N 341.448 2.961 0 50 EFAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)C1CCC(F)(F)CC1 911051322 NUXSDTROOWCECU-AWEZNQCLSA-N 339.338 2.859 0 50 EFAA Cc1cccc2c1OC[C@H](NC(=O)c1ccccc1CCC(=O)O)C2 911393404 SPLMJVZGWHNOOP-MRXNPFEDSA-N 339.391 2.746 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2Cc2cccc3nsnc23)nn1 818152649 FGUZMDHRVDIQPN-HNNXBMFYSA-N 340.456 2.884 0 50 EFAA COc1ccccc1O[C@@H]1CCCN(C(=O)CCc2cc(C)on2)C1 935957938 OLQFCHORUUDQFB-MRXNPFEDSA-N 344.411 2.994 0 50 EFAA CC(C)(C)OC(=O)N1CC2(C[C@@H](NC3CCCC3)c3nccn32)C1 864097099 NNDJJEMKJCEJQV-CQSZACIVSA-N 332.448 2.806 0 50 EFAA C[C@@H](C(=O)NCCc1nc[nH]c1Br)c1cccc(F)c1 1875274805 DCZWXGRDNZSYFR-SECBINFHSA-N 340.196 2.774 0 50 EFAA O=C(N[C@H]1COC[C@H]1C1CC1)c1ncccc1-n1ncc2ccccc21 1875271894 IVKGMILNFNUBJZ-HOTGVXAUSA-N 348.406 2.575 0 50 EFAA COCc1ccccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875393247 JXUUNARHTPEICT-NWDGAFQWSA-N 329.400 2.508 0 50 EFAA Cc1cc(C)n(-c2ccc(CC(=O)Nc3cnc4cnccn34)cc2)n1 1875322945 PIOCTQGRNLEANS-UHFFFAOYSA-N 346.394 2.713 0 50 EFAA O=C(NCC1(n2ccnn2)CC1)c1nc2ccccc2cc1C1CC1 1875404237 ASTCOMJIIKEAAX-UHFFFAOYSA-N 333.395 2.623 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NCc1n[nH]c2c1CCCC2 1775988219 CHXGDNUHVJRVLJ-CYBMUJFWSA-N 325.412 2.861 0 50 EFAA Cc1ccc(C)c(OCCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1 1775961088 LOYABQIHSKZPMW-AWEZNQCLSA-N 328.416 2.511 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@](CO)(C(F)(F)F)C1 899610927 FDWAXKBCVOABFU-BBRMVZONSA-N 345.361 2.926 0 50 EFAA Cc1cc2c(c(SCC(=O)N(C)Cc3ccccc3)n1)C(=O)OC2 1428501 ILNCOEKKUDPKRI-UHFFFAOYSA-N 342.420 2.811 0 50 EFAA C[C@H]1CN(c2ccccc2CNC[C@H]2CCCc3nccn32)CCO1 2325779518 LEBBDQVAFCIAAW-FUHWJXTLSA-N 340.471 2.775 0 50 EFAA O=C(NCc1cccc(-c2cc[nH]n2)c1)[C@H]1CCc2nccn2CC1 2325803134 SBGGXXQGJCJYNJ-HNNXBMFYSA-N 335.411 2.542 0 50 EFAA CC(C)(C)N1CCC[C@H](C(=O)N2CCC=C(c3ccco3)C2)C1=O 897726481 RODYBJAXRVSOSV-OAHLLOKOSA-N 330.428 2.932 0 50 EFAA COc1ccccc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 182692 NETXAUJXYLGNPC-SJCJKPOMSA-N 337.441 2.832 0 50 EFAA O=C(NC(=S)N1CCCCC1)c1ccc(Br)cc1 324643 JTIISMHGZLDGAK-UHFFFAOYSA-N 327.247 2.950 0 50 EFAA CC[C@]1(C)C[C@@H]([C@@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 434064 RMOMIOWOQMAUHS-TXPKVOOTSA-N 337.460 2.750 0 50 EFAA biogenic Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1 803017 YZJLCKNNCYVBHX-UHFFFAOYSA-N 344.436 2.878 0 50 EFAA COc1cc(F)cc(-c2cnc3c(N4CCC(O)CC4)nccn23)c1 2356158222 ZJWHMAZDGVLJGC-UHFFFAOYSA-N 342.374 2.505 0 50 EFAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cccc(-c2ccccc2)c1 2356159171 OZQUTWVXPLAMGY-GOSISDBHSA-N 334.375 2.918 0 50 EFAA Cc1nsc(NC(=O)NCc2ccccc2-n2ccnc2C)n1 55255344 FJFGUQNZBXLBOP-UHFFFAOYSA-N 328.401 2.662 0 50 EFAA Nc1ncc(Br)cc1CNC(=O)Nc1cccc(F)c1 225837795 MMEJWWXPFHKPHD-UHFFFAOYSA-N 339.168 2.887 0 50 EFAA C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2nnnn2C)C1 9489155 JKKDHBWTRJVYKD-NSHDSACASA-N 341.440 2.722 0 50 EFAA Nc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 20246962 FJFXKJLCRHRVIH-UHFFFAOYSA-N 329.713 2.689 0 50 EFAA NC(=O)COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 247750702 SHVVPOGTQQRHGE-CWRNSKLLSA-N 330.428 2.639 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C 248021961 JDCBNKMGXPLITK-IBGZPJMESA-N 344.480 2.981 0 50 EFAA Cn1ccnc1SCCNC(=O)c1ccccc1N1CCCC1 65403510 QEBLRKPRVDQRPC-UHFFFAOYSA-N 330.457 2.542 0 50 EFAA COc1ccc2c(c1)c(C(=O)NC[C@@H]1CCCN(C)C1)c(C)n2C 67675882 LKHANOSFEWESRR-AWEZNQCLSA-N 329.444 2.567 0 50 EFAA Cc1ccc(CN2CCN(Cc3cnc(C)s3)C[C@@H]2CCO)cc1 22932941 SWDGKINHJJAOSU-SFHVURJKSA-N 345.512 2.829 0 50 EFAA CN(Cc1ccnn1C)C(=O)C1(Cc2ccc(F)cc2)CCOCC1 352243193 YJCOFWFNZDSMMH-UHFFFAOYSA-N 345.418 2.557 0 50 EFAA CCCCn1ncc(C)c1NC(=O)Cn1nc(C)c(C(C)=O)c1C 63855501 GTZINGWTTGTIJP-UHFFFAOYSA-N 331.420 2.646 0 50 EFAA COc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)c(OC(F)F)c1 252488720 IXMUSAJEYODGDB-GFCCVEGCSA-N 342.386 2.758 0 50 EFAA CCn1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c(C(F)(F)F)n1 280993747 FGNICXWKEYDSTN-UHFFFAOYSA-N 328.298 2.560 0 50 EFAA Cc1nnc(SCCNC2CCC3(CCNCC3)CC2)s1 67774840 WVFVKQZZHWDQQY-UHFFFAOYSA-N 326.535 2.841 0 50 EFAA CC(C)[C@H](NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1)c1ccccn1 252506827 VXFPYBUSPLDIME-NBMJBFSESA-N 342.487 2.904 0 50 EFAA Cc1cccc(CCNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 252507575 WOUJGDBRNWVTTA-FDPIWHGQSA-N 345.487 2.904 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 373723 ZVURKTMBVVVWAU-UHFFFAOYSA-N 329.425 2.669 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)cc1 1390004 UIKSVABIHATPCD-UHFFFAOYSA-N 326.381 2.648 0 50 EFAA CC[C@H]1COCCN1C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 77321737 XXXYNSQJLAWHGY-HNNXBMFYSA-N 327.384 2.865 0 50 EFAA COc1ccccc1[C@H](C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 230229385 SPDBYJBQKFEKPD-SOLBZPMBSA-N 345.487 2.924 0 50 EFAA O=C(NCC1(CO)CCOCC1)Nc1ccc2nc(C3CC3)oc2c1 121275090 WOKOBQMDXHHSDT-UHFFFAOYSA-N 345.399 2.616 0 50 EFAA Cc1nnc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)s1 253418398 HOHFHCQSXKLVPS-QGZVFWFLSA-N 342.424 2.520 0 50 EFAA C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@H]1Cn1cncn1 257365671 FQTKUENQMGHSSJ-RYUDHWBXSA-N 330.417 2.615 0 50 EFAA O=C(NC1CCCC1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 77378597 GRLAKIQIQGKWMD-AWEZNQCLSA-N 327.388 2.921 0 50 EFAA F[C@H]1C[C@@H](CN[C@H]2CCc3ccccc3C2)N(Cc2cncnc2)C1 328622002 AVWIDTDHYCDESF-UFYCRDLUSA-N 340.446 2.536 0 50 EFAA CC(C)c1cnc(CN[C@H]2CCCN(c3nccnc3O)C2)s1 328639806 PPFGDPQWXVSCMM-LBPRGKRZSA-N 333.461 2.521 0 50 EFAA CCOc1ccccc1C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 125294435 MFORESITOIBLMP-GFCCVEGCSA-N 330.350 2.794 0 50 EFAA CC(=O)N1CCCN(C(=O)Nc2ccccc2OCC2CC2)CC1 172587935 CKKMEURJUBQJJL-UHFFFAOYSA-N 331.416 2.562 0 50 EFAA C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H](c2nc(C3CC3)no2)C1 450962046 QBADIJAATXNVAT-XOKHGSTOSA-N 327.428 2.901 0 50 EFAA O=C(CCn1nnc2ccccc21)N1CC[C@H](c2ccccc2F)C1 77506195 TZCOWWZVSMSCGI-AWEZNQCLSA-N 338.386 2.977 0 50 EFAA Cc1nc(NCc2nc(C)c3c(n2)CCCC3)cc(C2CC(O)C2)n1 219787966 MBHGYAVRSCAHTG-UHFFFAOYSA-N 339.443 2.613 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2ccn[nH]2)CC1 154845529 GMCGXQKBGDRTEC-KRWDZBQOSA-N 340.427 2.995 0 50 EFAA CN1CCC(N(Cc2cccnc2)Cc2cccc(CCN)c2)CC1 72478144 AVPAPALSESXISJ-UHFFFAOYSA-N 338.499 2.679 0 50 EFAA O=C(NC[C@H]1CCCO1)c1ccc(-n2ccnc2-c2ccncc2)cc1 77440843 HIXQZAAPTHRMKE-GOSISDBHSA-N 348.406 2.843 0 50 EFAA O=C(c1ccccc1)N1CC[C@@H](CN2CCc3ccc(CO)cc32)C1 368476170 BDCJJVHLUWDQDL-KRWDZBQOSA-N 336.435 2.704 0 50 EFAA CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2)C1 72168325 FOPLMMSPAUIXBY-SFHVURJKSA-N 336.501 2.633 0 50 EFAA O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1C(=O)c1ccccn1 175035272 ALSMWUUHBYVLGP-HNNXBMFYSA-N 331.322 2.603 0 50 EFAA Cn1ccnc1[C@@H]1CNCCN1Cc1cccc(-c2cccnc2)c1 262101949 VRFMDCYNHRBZJY-IBGZPJMESA-N 333.439 2.629 0 50 EFAA O=C(CN1CCOC[C@H]1c1ccccc1)N1CCc2sccc2C1 374144543 WTFLNSBGTQOIMR-KRWDZBQOSA-N 342.464 2.706 0 50 EFAA CC1CCC(O)(CN2C(=O)O[C@]3(CCc4ccccc43)C2=O)CC1 376670625 GLUNGDJYNLPQFI-PSMHFXKOSA-N 329.396 2.748 0 50 EFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C(=O)O)C2)cc1 237652847 UWZOTZDGHHMDEU-HNNXBMFYSA-N 337.375 2.773 0 50 EFAA Cc1ccsc1C(=O)N1CCN(c2ncnc3ccccc23)CC1 72420190 XCYQSAIDXCTEPB-UHFFFAOYSA-N 338.436 2.962 0 50 EFAA Cc1nn(-c2ccccn2)c(Cl)c1CN1CC([C@@H]2CCOC2)C1 377713936 CKFOALUHPHJNHT-CYBMUJFWSA-N 332.835 2.697 0 50 EFAA COc1cc(Cl)ccc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 285001305 YFJSLZCKQLKOJC-XHSDSOJGSA-N 325.836 2.710 0 50 EFAA CC(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccnc1 177023936 BBRIMSJAOAUESS-KRWDZBQOSA-N 346.452 2.735 0 50 EFAA Cc1ccc(-c2nc(NC(=O)COCC(=O)O)sc2C)cc1C 17068806 YJLRYBQDWCGCMA-UHFFFAOYSA-N 334.397 2.775 0 50 EFAA CCOc1ncccc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 82136903 GYQYESDPXWUOLS-MRXNPFEDSA-N 341.411 2.697 0 50 EFAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCc3occc3C2)c1C 289771468 PWZQTTPCRBEEPE-UHFFFAOYSA-N 347.436 2.889 0 50 EFAA Cc1cc(CNC(=O)N(CCCO)[C@H]2CCCc3ccccc32)on1 177875610 KFSGZGAWRBRYCB-SFHVURJKSA-N 343.427 2.955 0 50 EFAA COc1c(C)ccc(NC(=O)N2CCC(Cn3ccnn3)CC2)c1C 179145763 MHMDNOJNCGOAMD-UHFFFAOYSA-N 343.431 2.848 0 50 EFAA CN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)cs2)cn1 179292079 CHLJTVACRXZDFR-UHFFFAOYSA-N 325.397 2.918 0 50 EFAA Cc1nc(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)n[nH]1 82125705 KMPUHPKQFPJBLN-UHFFFAOYSA-N 330.407 2.666 0 50 EFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(O)cc1O 179439231 XICAQJXAEMTOEF-UHFFFAOYSA-N 344.386 2.631 0 50 EFAA CCN(C(=O)c1cccc(-c2ccc(C)nc2C)c1)[C@H](C)C(N)=O 426697323 KTGHOSKWRWHZEH-CQSZACIVSA-N 325.412 2.701 0 50 EFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)COc1ccccc1 238142881 OSIAMNBQLHPYCM-UHFFFAOYSA-N 349.333 2.847 0 50 EFAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)on1 91987114 QOKHWOODDBZALA-CQSZACIVSA-N 333.432 2.805 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cccc(-c3ncccc3N)c2)n1 426521236 MMHTXFFULVWUAG-AWEZNQCLSA-N 349.438 2.963 0 50 EFAA CC(C)c1cc(CN(C)Cc2cnc(N3CCOCC3)s2)on1 97698960 GXRKKPJWPJLVQD-UHFFFAOYSA-N 336.461 2.723 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C1CC1 91551156 PRTBYGZQSJSFQS-UONOGXRCSA-N 341.329 2.817 0 50 EFAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCc3ccccc3C2)c1 95355342 LXTZXYRAXDUULG-SFHVURJKSA-N 327.380 2.888 0 50 EFAA CCCc1nc(C(=O)N2CCC(N3CCSCC3)CC2)cs1 91713569 QXDCMNWKLFZXDA-UHFFFAOYSA-N 339.530 2.749 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)NC3(C(=O)O)CCOCC3)c2c1 95497013 WMQKLPFPGUEXDC-UHFFFAOYSA-N 342.395 2.524 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccn(C(F)F)n1 95375000 JOTXLPNPZJWNQY-ZDUSSCGKSA-N 337.374 2.868 0 50 EFAA O=C(Cc1cccc(F)c1F)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 243893740 ATMMRXDXIJPFCK-FHSNZYRGSA-N 332.350 2.531 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1[nH]c(C)c(C(=O)O)c1C 244899597 ZMPDQQAMSZCZQJ-UHFFFAOYSA-N 348.403 2.574 0 50 EFAA Cc1n[nH]c(C)c1CN(C)Cc1cccc(OC2CCNCC2)c1 299791826 DTKGKTKXDKMGOF-UHFFFAOYSA-N 328.460 2.789 0 50 EFAA Cc1ccc(NCCCNS(=O)(=O)c2cc(C)sc2C)nc1 825195448 ZFERVVNOXFIBKA-UHFFFAOYSA-N 339.486 2.849 0 50 EFAA CCCCn1nc(Cc2cccnc2)nc1C1CCN(C(C)=O)CC1 670454814 GISZRSQLLRRCLR-UHFFFAOYSA-N 341.459 2.790 0 50 EFAA OC[C@@H]1CCCCN1CCNCc1c(Cl)ccc(O)c1Cl 952989907 YXWYSKXSAYIIPA-NSHDSACASA-N 333.259 2.635 0 50 EFAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCO)c(Cl)cc1F 952869914 QEMWDLDBOCLWMJ-LLVKDONJSA-N 335.828 2.713 0 50 EFAA COc1cccc2ccc(C[C@@H]3CC[C@H](CN4CCOCC4)O3)nc12 952854470 CGOULLJDLKWVLG-ZWKOTPCHSA-N 342.439 2.666 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1c(C)noc1C 952981273 VJHJYPGZCLJIAU-UHFFFAOYSA-N 328.328 2.911 0 50 EFAA CC(=O)Nc1ccc(CNC(=O)CN2C[C@H]3CC(C)=CC[C@H]3C2)cc1 1565526074 ZIZXHTWERJWBGZ-ZWKOTPCHSA-N 341.455 2.549 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)c1cccs1 275430627 UVWXVWKLBPRYRS-OUCADQQQSA-N 334.445 2.762 0 50 EFAA CCn1cnc2c(N3[C@H]4CC[C@H]3[C@@H](C(=O)OC(C)(C)C)C4)ncnc21 408524288 ZHHHIWDLTAJELB-AVGNSLFASA-N 343.431 2.545 0 50 EFAA O=C1OCC[C@H]1OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 221995483 FUEVIUMJFAWNTN-JMXNPYCNSA-N 343.217 2.579 0 50 EFAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1(C)C 222149012 MMJJUOCBCCWUEO-APHBMKBZSA-N 347.459 2.878 0 50 EFAA COc1ncnc2c1CN(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)CC2 170656869 WFIRCLVIZGEXRT-XJKSGUPXSA-N 330.432 2.522 0 50 EFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C 170626462 SEBLXQPBQUZVKX-GXTWGEPZSA-N 348.349 2.982 0 50 EFAA C[C@@H](O)CCN(C)C(=O)c1cc2sc(N3CCCC3)nc2s1 280079024 XYNNWMCYHROGEO-SNVBAGLBSA-N 339.486 2.801 0 50 EFAA COCc1nc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)cs1 737836294 QASXMDORUIQKKP-UHFFFAOYSA-N 326.761 2.893 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cc2ccc(Cl)cc2[nH]1 644227148 KXTNQPOAURPUHL-VBQJREDUSA-N 347.846 2.539 0 50 EFAA Cc1ccncc1NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644349961 GLBGADWENVJGAX-HXUWFJFHSA-N 339.439 2.746 0 50 EFAA C[C@H](NC(=O)Nc1ccn2ccnc2c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653545116 TTXRYIVHWINBIY-WCFLWFBJSA-N 330.388 2.591 0 50 EFAA CC(C)(N)C(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 662760412 WLUUUXCKNXPEKF-SFHVURJKSA-N 343.515 2.873 0 50 EFAA CS(=O)(=O)[C@H]1CCCCN(c2cc(Nc3ccccc3)ncn2)C1 663850335 SINHLYBDSHIQNZ-HNNXBMFYSA-N 346.456 2.624 0 50 EFAA COc1cccc([C@H](OC)c2noc(CCn3cc(Cl)cn3)n2)c1 665071258 RYTRIOSWAUARTO-HNNXBMFYSA-N 348.790 2.907 0 50 EFAA COc1ccc(C(=O)Nc2nnc(SC(C)C)s2)c(OC)n1 1506431426 JNWDCAOGRQZLGN-UHFFFAOYSA-N 340.430 2.703 0 50 EFAA O=C(O)c1cc(Br)ccc1I 1732278 IGBNDUKRHPTOBP-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro Cc1nc(N2CCC[C@H](CC(N)=O)CC2)ccc1Br 671439296 BGEATZMQGGNQKC-NSHDSACASA-N 326.238 2.634 0 50 EFAA OCCn1cnc2cc(-n3ccnc3-c3ccc4c(c3)CCO4)ccc21 1800409949 MDYOPHPIHMHFKX-UHFFFAOYSA-N 346.390 2.816 0 50 EFAA Cc1ccccc1CN1CC[C@H](CNc2ncc(F)c(N(C)C)n2)C1 1772707772 YLNDYSPEPBNCOH-OAHLLOKOSA-N 343.450 2.924 0 50 EFAA COc1cccc(OCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c1 1775980611 FGDUOJSHJFIQME-MRXNPFEDSA-N 334.460 2.653 0 50 EFAA CCOc1ccccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 1772704997 VCOSBFMOWNEIFO-UHFFFAOYSA-N 340.423 2.804 0 50 EFAA OC[C@]12CN(Cc3ccoc3)C[C@H]1CN(Cc1ccccc1Cl)C2 1775983186 ZDBDDWLWODXURU-PKOBYXMFSA-N 346.858 2.859 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@H](C3(O)CC3)C1)n2C 1772807887 VEQGMLHKOODISY-AWEZNQCLSA-N 328.412 2.564 0 50 EFAA Cc1cnc(CN2C(=O)CC[C@@H]2CCNCc2ccccc2F)cn1 12156500 QVEVASUMWBWHLS-QGZVFWFLSA-N 342.418 2.595 0 50 EFAA CSCCCNC(=O)c1cc(Cn2c(C)nc3ccccc32)on1 12433822 NHIAAXBWXMELLF-UHFFFAOYSA-N 344.440 2.864 0 50 EFAA CCCCc1nc2cc(C(=O)NCCc3cnn(C)c3)ccc2o1 12707248 OLIGLPMQLJRDSU-UHFFFAOYSA-N 326.400 2.876 0 50 EFAA Cc1c(CC(=O)NC[C@H](C)O)c2c(n1CC(C)C)CC(C)(C)CC2=O 14948352 IBHIRQWXFVBCIT-ZDUSSCGKSA-N 348.487 2.647 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2coc(COc3ccccc3F)n2)C1 14951390 MOWDNIWFCIKLQW-CYBMUJFWSA-N 348.374 2.891 0 50 EFAA C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 150173138 FZECBQFAODDFHV-CJNGLKHVSA-N 343.427 2.823 0 50 EFAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccco2)[nH]n1 169681011 YSVKCYCPZSDEBP-BBRMVZONSA-N 328.416 2.664 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCOC2(CCCC2)C1 151043618 OYUVCAISZZNQLV-SFHVURJKSA-N 328.456 2.823 0 50 EFAA CC(C)OCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2959178 GJQRVJCQPDVLAG-UHFFFAOYSA-N 333.215 2.863 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc3sc(=N)[nH]c3c1)CCC2 1857717393 NOKBUSYXVJSRNO-NSHDSACASA-N 341.440 2.558 0 50 EFAA CC(C)(C)[C@H]1CN(CCS(C)(=O)=O)C[C@@H](c2ccccc2)O1 1857721288 IFJFYCHEBJVKJF-JKSUJKDBSA-N 325.474 2.519 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2cccc3cc(C)oc23)C[C@H]1O 1857724163 ODYRFMYQUDSJOV-VQIMIIECSA-N 331.412 2.727 0 50 EFAA Cc1nc2ccccc2c(=O)n1CC(=O)NCC1(CC(C)C)CC1 225466931 XYQVLGXFGZGLRI-UHFFFAOYSA-N 327.428 2.647 0 50 EFAA O=C(NCC(F)(F)F)N1CCN(c2cncc3ccccc23)CC1 225792461 KCGGIYDCBPATOY-UHFFFAOYSA-N 338.333 2.629 0 50 EFAA O=S(=O)(NCc1cc(F)ccc1F)c1cnc2ccccc2c1 252479684 BJUQRMKQZHTYSO-UHFFFAOYSA-N 334.347 2.992 0 50 EFAA O=C(CNC(=O)c1ccccc1)Nc1n[nH]c2c(Cl)cccc12 154245690 HVCKIXSVKHPDOD-UHFFFAOYSA-N 328.759 2.585 0 50 EFAA Cc1ccc(O)c(CN(Cc2nccs2)[C@@H]2CC23CCNCC3)n1 261814953 RWODGPNBNHJLNS-MRXNPFEDSA-N 344.484 2.696 0 50 EFAA O=C(O)CCCN1CCN(C(=O)c2cc3sccc3s2)CC1 262257634 QPWANQHOSDEJCT-UHFFFAOYSA-N 338.454 2.585 0 50 EFAA COc1ccccc1C[C@H](NC(=O)N1CC[C@@](C)(C(=O)O)C1)C(C)C 263184052 FPENEUCHVJERJR-HNAYVOBHSA-N 348.443 2.769 0 50 EFAA CC(=O)N1CCc2cccc(NC(=O)c3cc(C)n(C(C)C)n3)c21 1852481496 FHMZXSVAGVLLPC-UHFFFAOYSA-N 326.400 2.934 0 50 EFAA CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)NC1CCOCC1 864095461 MILCRDWJWYTDGT-HNNXBMFYSA-N 340.464 2.851 0 50 EFAA CC(C)(C)[C@@]1(C)NC(=O)N(Cc2cnc(Br)s2)C1=O 952884750 MTQWTPPQWURFIX-LBPRGKRZSA-N 346.250 2.762 0 50 EFAA Cc1nn(-c2ccccc2)c(NC(=O)C[C@@H]2CCCC(=O)N2)c1Cl 1875270339 HMEXGDBYJMDXAC-LBPRGKRZSA-N 346.818 2.831 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cn(C)nc1C1CC1 1875289787 OKEPSYKMHGIHTQ-OAHLLOKOSA-N 331.441 2.572 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnn(CC(C)C)c1 1875334459 OTEGVSMIHHQOLA-QGZVFWFLSA-N 333.457 2.813 0 50 EFAA Cc1cc(F)ccc1C(=O)NC1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1875330294 WMQRDGNPXNKJDL-KBPBESRZSA-N 340.402 2.569 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Oc3ccncc3)cc2)cn1 1875380870 CNQCYWMMVNBBNY-QMHKHESXSA-N 336.395 2.871 0 50 EFAA COc1ccc2c(c1)C(CCNC(=O)[C@H]1CC[C@H](C(=O)O)C1)=CC2 1875304373 IOXBWRYZIYONPE-GJZGRUSLSA-N 329.396 2.642 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2cc(CO)on2)cc1 888099253 XQDBMEIXRCYUFH-HNNXBMFYSA-N 347.459 2.738 0 50 EFAA COc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc(Cl)n1 891537281 ZNIMLRNKVVJTEN-UHFFFAOYSA-N 334.685 2.598 0 50 EFAA CCOCc1nc(C)cc(N[C@H]2CCCc3c2ccc(=O)n3C)n1 894413730 OTNFYJFFBOORSD-AWEZNQCLSA-N 328.416 2.510 0 50 EFAA COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cn1 1773953148 FZUVFKVPRPCQRX-GFCCVEGCSA-N 335.429 2.514 0 50 EFAA CCC1(CC)CCN(C(=O)c2cc3c(N(C)C)ncnc3n2C)C1 1775996533 NPRPPPQWOWAAEP-UHFFFAOYSA-N 329.448 2.687 0 50 EFAA O=C(NO[C@H](CO)C1CCCC1)N[C@@H]1CCCOc2ccccc21 1776006408 PHGKFHQSTPQPFE-NVXWUHKLSA-N 334.416 2.682 0 50 EFAA Cc1ccc(OCC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1C 52736 SGLLLDXVUKQGDR-UHFFFAOYSA-N 343.335 2.717 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccccc1 974352 SQNDFISJBNVFTJ-JVPBZIDWSA-N 330.380 2.780 0 50 EFAA O=C(C1CCN(C(=S)Nc2ccc(F)cc2)CC1)N1CCCC1 1069847 RRMATQLVPZLKGX-UHFFFAOYSA-N 335.448 2.857 0 50 EFAA CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)s1 1426117 GWCWRGACWBCTBK-GFCCVEGCSA-N 345.428 2.736 0 50 EFAA COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O 4317734 NKSHGSYDCDKDOX-OAHLLOKOSA-N 339.395 2.505 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 11613991 MPIUZHQIZWPWDH-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA O=S1(=O)C[C@@]23CCCC[C@@]2(CN(c2ccnc4c2CCCC4)C3)C1 2325767416 OEMDNVFDMBRZIQ-KDURUIRLSA-N 346.496 2.756 0 50 EFAA O=C(C[C@H]1OC(=O)c2ccccc21)Nc1nnc(CC2CC2)s1 2325783281 KNGXKXBDANXZGM-GFCCVEGCSA-N 329.381 2.731 0 50 EFAA C[C@H](c1cnccn1)c1nc(C(C)(C)NC(=O)c2ccccc2)no1 2325803428 GLQCJSUHPCXLLH-GFCCVEGCSA-N 337.383 2.677 0 50 EFAA O=C(NC12CNC(C1)C2)c1cnc(-c2ccc(Cl)s2)s1 2325809283 YAAFVZLHWYJAJF-UHFFFAOYSA-N 325.846 2.759 0 50 EFAA Cc1c(C(=O)NCCc2ncc(F)cc2F)nc(O)c2ccccc12 2325867541 ZJKFVKZAYBNGQD-UHFFFAOYSA-N 343.333 2.895 0 50 EFAA CN(C)c1ccc(C(=S)N2CCOCC2)cc1Br 52087 NHGYAWZTGZBJHT-UHFFFAOYSA-N 329.263 2.523 0 50 EFAA Cn1c(C2CCN(Cc3cccc4ncnn34)CC2)nc2ccccc21 2356147840 SNSHWDGCVCSWQB-UHFFFAOYSA-N 346.438 2.996 0 50 EFAA COC[C@@]12COC[C@@H]1CN(CCOc1cc(C)ccc1Cl)C2 2356161638 CQEGKAFPTAJDIJ-YOEHRIQHSA-N 325.836 2.622 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356165608 KZHVWBXPKRLADM-MDBPOYHNSA-N 333.476 2.723 0 50 EFAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](O)C(=O)c1ccccc1 4772830 RXSZYVLSKBOPLV-IFUGULHKSA-N 342.222 2.895 0 50 EFAA Oc1nc2cccnc2n1C1CCN(c2nc(C3CC3)ns2)CC1 1337971008 NPTBWDBSPNJYHZ-UHFFFAOYSA-N 342.428 2.707 0 50 EFAA CC(C)(C)[S@](=O)CCNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 225238581 KFXPMZAGBICJQZ-FBJOKTGGSA-N 326.437 2.528 0 50 EFAA CC(C)C(=O)Nc1ccc(Oc2nn3c(=O)ccnc3s2)cc1 133610148 JEXSYUCEIQHSEZ-UHFFFAOYSA-N 330.369 2.538 0 50 EFAA O=C(Nc1cc(Cl)ccn1)c1ccc(=O)n(-c2ccccc2)n1 114122416 LYKOJVRIRHZPJC-UHFFFAOYSA-N 326.743 2.533 0 50 EFAA CC(=O)N[C@@H](C)CC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 55284702 KBFGYJBZNCZRFL-LBPRGKRZSA-N 332.400 2.639 0 50 EFAA Cc1ccc(-c2cccnc2)cc1N1C(=O)N[C@@]2(CCSC2)C1=O 348664653 DLJAOSRUPFJBJN-GOSISDBHSA-N 339.420 2.989 0 50 EFAA CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 246879925 IIFMLMHFMAWWFQ-ARFHVFGLSA-N 338.517 2.768 0 50 EFAA CC[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C)c1ccccc1 344567207 CIPOFYZFLKKBQE-ULQDDVLXSA-N 327.428 2.950 0 50 EFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(C[C@@H](O)c1ccccc1F)C2=O 247863575 HKRWPTVUCNTVJL-IPTNHLRFSA-N 334.391 2.606 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 248139983 PWRWGHYANKOMFG-ZWKOTPCHSA-N 342.418 2.710 0 50 EFAA CCc1cc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)cc(O)n1 349082384 LSOWLGLQDASDAW-ZDUSSCGKSA-N 342.399 2.516 0 50 EFAA Cc1nc[nH]c1C(=O)NCc1cccnc1Oc1ccccc1F 67982960 DMTHWCQPQUFIPO-UHFFFAOYSA-N 326.331 2.975 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@H](C(=O)O)C1 136134390 CNXLYUZNUCXIFO-NSHDSACASA-N 334.397 2.577 0 50 EFAA CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 67726756 CGMFQJVSEBEPDI-MRXNPFEDSA-N 346.471 2.832 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)C[C@@H]2CCO)cc(OC)c1 20542926 ZSKZHQFIZUCABF-SFHVURJKSA-N 348.487 2.515 0 50 EFAA COc1ncc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c(OC)n1 67982400 IFAHQZMHHVADQX-CYBMUJFWSA-N 329.400 2.554 0 50 EFAA COC(=O)[C@H](C)[C@@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 229429479 LOXYGOIYAWJXBW-SZVBFZGTSA-N 343.423 2.566 0 50 EFAA CCCc1nc(CN2CCC[C@@H]2[C@@](C)(O)c2ccc(OC)cc2)no1 253395558 WNQYKQZQNUBOOT-APWZRJJASA-N 345.443 2.903 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)C1 280879631 YNKSPSDBDLJMKN-SOLBZPMBSA-N 346.471 2.579 0 50 EFAA CCc1ccc(CNS(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 252523289 CGPYVJBFYCXKEP-UHFFFAOYSA-N 348.424 2.906 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccccc2C1 252517540 KZXWNHHGWQUJIN-QZMQVMSPSA-N 334.485 2.834 0 50 EFAA Cc1cc(F)c(CN2CCC3(CC2)CNC(=O)N3C)c(Cl)c1 425370410 JEPQCYZZCQGLDR-UHFFFAOYSA-N 325.815 2.777 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2CC(=O)N(C)C2CCCCC2)c1 282197102 NRSWXOIMDXMHCK-PKOBYXMFSA-N 346.471 2.594 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1ccsc1 328639234 WTRTZCSBZNREDP-XJKSGUPXSA-N 332.473 2.637 0 50 EFAA CC1(C)CCN1C(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328605940 PVPBYDAEFSAGDR-DLBZAZTESA-N 325.412 2.961 0 50 EFAA COc1cccc(Nc2nnc(SCc3cncn3C)s2)c1 360735105 GKUCGRMOEWMSRC-UHFFFAOYSA-N 333.442 3.316 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n1 124209342 IAIJFJRGOCBNGB-HTQZYQBOSA-N 338.335 2.539 0 50 EFAA C[C@@H](NS(=O)(=O)N(C)CC1CC1)c1ccc(-c2cccnc2)cc1 363041640 WDKYJSYGXHHPTB-CQSZACIVSA-N 345.468 2.986 0 50 EFAA CN1C(=O)C[C@H](CNC(=O)c2ccc(O)c(Cl)c2)c2ccccc21 215595718 MSLNTCVDVJIVIY-GFCCVEGCSA-N 344.798 2.926 0 50 EFAA O=C(NCc1cccc(CN2CCCC2)c1)[C@H](O)C1CCCCC1 187080478 GSDYKKBEQLYPLG-LJQANCHMSA-N 330.472 2.840 0 50 EFAA NC(=O)[C@H]1c2ccccc2CCN1Cc1nc2ccc(F)cc2o1 365947229 PFEAERTUYHTEPX-QGZVFWFLSA-N 325.343 2.552 0 50 EFAA CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1occ2c1CCOC2 375897820 LUEWEJBLURXECP-QGZVFWFLSA-N 329.396 2.856 0 50 EFAA O=C(c1ccc(N2CCCCCC2)nc1)N1CCC2(CCNC2)CC1 261700160 FNHCFPPOULJSBX-UHFFFAOYSA-N 342.487 2.678 0 50 EFAA Cc1cc(N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)nc(N)n1 72153158 SKKYKYFXJULBRM-MRXNPFEDSA-N 347.422 2.733 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCNC1 157258327 QQGYZQALZVRKTL-SNVBAGLBSA-N 329.213 2.546 0 50 EFAA CCc1ncsc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 157519408 OUCMVHHTJQSBDL-LLVKDONJSA-N 345.424 2.848 0 50 EFAA CCc1occc1C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1 283517794 LITLUTHUKPDROQ-CQSZACIVSA-N 328.368 2.774 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCO[C@@H](c2ccsc2)C1 262201860 SEVXANHAJJMNHQ-MRXNPFEDSA-N 345.420 2.979 0 50 EFAA O=C(Nc1cc2c(cc1Cl)OCCO2)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333855296 QHLKTCJKWCRADG-RDBQEKCUSA-N 348.786 2.528 0 50 EFAA CC(=O)N1CCC[C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 334064715 NURFWMQDJZYHHE-HIFRSBDPSA-N 335.423 2.787 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccc(C)cc3n1C)C2 215443602 RDAFPIHTFGEFCK-DOTOQJQBSA-N 339.439 2.570 0 50 EFAA O=C(O)CN(C(=O)c1csc(Cc2ccccc2F)n1)C1CC1 238092602 DOOVLEFKPJZSDP-UHFFFAOYSA-N 334.372 2.562 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c(C)c1 239722295 CCAKTSCWNNDVDD-CABCVRRESA-N 341.498 2.507 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(NC2CC2)nc1 239882277 DAWWNRWALMNHMO-WQVCFCJDSA-N 343.427 2.602 0 50 EFAA Cc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccccc1 40396271 QTSQQRQPFYCCDI-LBPRGKRZSA-N 348.362 2.665 0 50 EFAA COc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1Cl 74801557 LYPVHKGPWWDUNA-UHFFFAOYSA-N 346.861 2.934 0 50 EFAA CCN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@H](C)Cc1ccsc1 241135389 JOXSVGPBEJKTOV-LLVKDONJSA-N 345.424 2.567 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(C#N)ccc2Cl)cn1 286845310 TUGLVMMIDGKFCR-JKSUJKDBSA-N 344.802 2.688 0 50 EFAA CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C(=O)c1cccs1 175841778 OSOWCLBLHRJADA-SNVBAGLBSA-N 344.392 2.912 0 50 EFAA Cc1cc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)sc1C 131554333 BLUMZUZCVKHBJI-UHFFFAOYSA-N 325.411 2.888 0 50 EFAA OCc1ccc(-c2nccn2CCc2noc(-c3ccccc3)n2)o1 82121484 CCYYTDSUTYQADT-UHFFFAOYSA-N 336.351 2.928 0 50 EFAA COCCCCCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1C 82106874 IRNCJBGDXREFGC-MRXNPFEDSA-N 332.444 2.766 0 50 EFAA C[C@@H](c1ccc2ccccc2c1)N1CCC[C@@H](NS(C)(=O)=O)C1 229581493 UWNWAFQSGMADIU-KBXCAEBGSA-N 332.469 2.914 0 50 EFAA CCOC(=O)c1c(C)csc1NC(=O)N1CCN2CCC[C@@H]2C1 179204082 ZSSUUMYSNOJLNO-GFCCVEGCSA-N 337.445 2.545 0 50 EFAA c1ccc(Cn2cccn2)c(CNc2cc(N3CCCC3)ncn2)c1 264338400 MTKDBAHTIXJFNS-UHFFFAOYSA-N 334.427 2.934 0 50 EFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCc2ccccc21 82098355 ISDCDGYUQXAJIO-HNNXBMFYSA-N 333.391 2.612 0 50 EFAA O[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 20246945 UZYQLANPMKWQOI-LBPRGKRZSA-N 342.283 2.751 0 50 EFAA C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1C 179490164 WDXFLNYTGYKSAO-HOTGVXAUSA-N 343.471 2.979 0 50 EFAA CC[C@H](NC(=O)c1ccc(OC)c(OCCN)c1)c1ncccc1C 426389213 FDXOVCHAXVEXNW-HNNXBMFYSA-N 343.427 2.617 0 50 EFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)C[C@@H]3COCCO3)c2c1 91858474 IIAPLHDXUHHJJX-OAHLLOKOSA-N 330.428 2.509 0 50 EFAA COc1ccccc1C1=NO[C@@H](C(=O)N[C@H](C)CCc2ccco2)C1 20602627 HREORBDICZKCPF-FZKQIMNGSA-N 342.395 2.919 0 50 EFAA Cc1cc(C)c(CC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)c1 180148681 NOLVFJGYIOGJDV-FQEVSTJZSA-N 345.531 2.543 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(c2cnc3ccccc3n2)C1 91493354 TZHBJDXCLIQQKT-HNNXBMFYSA-N 337.427 2.857 0 50 EFAA CC(C)N1CCC(CC(=O)N(Cc2cocn2)Cc2cocn2)CC1 97532404 JGZQKOGFXIZVCO-UHFFFAOYSA-N 346.431 2.702 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1 91819677 NHVGYEDTKPHNHW-OAHLLOKOSA-N 345.418 2.557 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 91643971 UGATXBINOWWIRX-INIZCTEOSA-N 345.418 2.617 0 50 EFAA Cc1ccc(C)c(OCCCN(C)C(=O)NCCc2cnc[nH]2)c1 426478063 SHBIUCPVSMTJDX-UHFFFAOYSA-N 330.432 2.680 0 50 EFAA Cc1cccc(C)c1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 91391476 JFFBQDCSQVUFBB-MRXNPFEDSA-N 344.455 2.542 0 50 EFAA COCC[C@@]1(CO)CCCN(Cc2cc3c(cc2OC)CCC3)C1 91585629 YIDXYGKWFODPSM-FQEVSTJZSA-N 333.472 2.795 0 50 EFAA O=C(NCCCc1ccncc1)[C@H]1CCCN(Cc2ccco2)C1 95385995 AYEYZUUGIJGTFP-KRWDZBQOSA-N 327.428 2.636 0 50 EFAA Cc1ccccc1N1C[C@@H](Cc2ccccc2)N(CCCO)CC1=O 91635392 IPWLMADOORGQON-LJQANCHMSA-N 338.451 2.637 0 50 EFAA CCCc1nnc(N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)s1 91494311 FZURCAIHLDXQJK-QGZVFWFLSA-N 334.489 2.720 0 50 EFAA COCc1nc(NCCCc2nc(C)cs2)cc([C@H]2C[C@H](N)C2)n1 244601776 DROLNCNTCTZEOQ-JOCQHMNTSA-N 347.488 2.637 0 50 EFAA NS(=O)(=O)c1ccc2c(c1)N(Cc1c(F)cccc1F)CCC2 182621451 CLRPXNGGNUKZTA-UHFFFAOYSA-N 338.379 2.565 0 50 EFAA Cc1cccc(S(=O)(=O)N[C@@H]2CCCOCC2)c1Br 183381088 MCAQFHNTNXEHAJ-LLVKDONJSA-N 348.262 2.605 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)nc1C 298813599 AMBGGBWNNZSIFY-AWEZNQCLSA-N 329.375 2.916 0 50 EFAA O=C(NCCCc1ccco1)N1CCC(OCc2cccnc2)CC1 534638531 SPDNRJWQPKMJRH-UHFFFAOYSA-N 343.427 2.998 0 50 EFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1n[nH]c2c1CCCC2 299800208 XEDDLQGHTGDPCY-CYBMUJFWSA-N 325.412 2.660 0 50 EFAA O=C(N[C@H]1CCCN(C2CCCC2)C1)N(CCO)Cc1ccccc1 584887685 RUHPXFZVORXSRS-SFHVURJKSA-N 345.487 2.598 0 50 EFAA CCn1cnc2c(N3[C@H]4CC[C@H]3[C@H](C(=O)OC(C)(C)C)C4)ncnc21 408524290 ZHHHIWDLTAJELB-XQQFMLRXSA-N 343.431 2.545 0 50 EFAA CC(C)SCCN1CCN(CCSC(C)C)[C@H](CCO)C1 408518857 FXOGCPFMGDJMHR-MRXNPFEDSA-N 334.595 2.638 0 50 EFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1cnn(C)c1 187055583 RJWXVNZOJXNIKG-WBMJQRKESA-N 333.819 2.605 0 50 EFAA CCOc1cc(CN2CCO[C@@]3(CCOC3)C2)cc(Cl)c1OC 187547279 JEOGMYJNIGIAMH-KRWDZBQOSA-N 341.835 2.739 0 50 EFAA CCc1cc(C(=O)NCc2cc(F)ccc2OC(F)F)n(C)n1 636239884 XWUWMXZSPPAHKK-UHFFFAOYSA-N 327.306 2.653 0 50 EFAA CN1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 189132779 RBVPKPDQYABSBO-UHFFFAOYSA-N 348.191 2.943 0 50 EFAA Cc1cccc(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 189869014 FNKOTTXDZOIGED-UHFFFAOYSA-N 344.358 2.973 0 50 EFAA Cc1nc(C)c(CCNC(=O)N2CCC[C@@]2(CO)CC(C)C)s1 190606419 YDNKYOVSDPUKKH-KRWDZBQOSA-N 339.505 2.885 0 50 EFAA COc1ccc(NC(=O)N[C@H]2C[C@@H]2C)c(I)c1 192433021 OGFNSWWIRXVOKF-CPCISQLKSA-N 346.168 2.830 0 50 EFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCc2cccnc21 192839976 YVLDHBUNDQJTOM-AEFFLSMTSA-N 349.434 2.703 0 50 EFAA O=C(O)Cc1cccc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c1 659227223 AGZIYPXFLQURDQ-QGZVFWFLSA-N 325.364 2.607 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccccc2)C1 1506398703 RSFZHGKFQUSFFA-IBGZPJMESA-N 339.439 2.821 0 50 EFAA O=C(c1cnccn1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212392757 CBWKEPKBOPCTFT-MJGOQNOKSA-N 333.391 2.620 0 50 EFAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccc(F)cc1 390760 DKRCAEOXFROMOT-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA O=c1sc2ccccc2n1CO[C@@H](O)C(Cl)(Cl)Cl 3106428 JKQDUJOZTPQJQC-MRVPVSSYSA-N 328.604 2.726 0 50 EFAA Cc1c(C(=O)NC2CCCC2)sc2ncnc(N[C@H]3CCOC3)c12 12338117 DZIJZYTVAXUDMB-LBPRGKRZSA-N 346.456 2.873 0 50 EFAA COCCOc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 12379764 MIBPFNIRKIKTGL-UHFFFAOYSA-N 328.368 2.923 0 50 EFAA O=C(CCN1CCCCO1)N1CCO[C@H](CCCc2ccccc2)C1 12758973 RGWXHROFMIEWEU-LJQANCHMSA-N 346.471 2.654 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1C 16577339 JUOAZZKDQLLNFZ-OKILXGFUSA-N 327.446 2.582 0 50 EFAA Fc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19537458 IFUZUWYBCAHTSW-UHFFFAOYSA-N 328.387 2.872 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCOC2)cc1 2365379 UOGMXZWRJOXTBC-UHFFFAOYSA-N 337.379 2.892 0 50 EFAA O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1Cl 4993420 IQGGTCXHMHYREV-UHFFFAOYSA-N 329.743 2.795 0 50 EFAA Cc1cc(C)c(-c2nc(C3CCOCC3)nn2-c2ccnn2C)cn1 1857677390 ZPTDAOGFOWNZJS-UHFFFAOYSA-N 338.415 2.574 0 50 EFAA COc1ccc(CN2CCC[C@H]2C(=O)O)c(Br)c1OC 237273241 QBJBKICLIXZKQI-JTQLQIEISA-N 344.205 2.515 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 408469810 SKDVGHQAEOEOTP-CQSZACIVSA-N 332.379 2.557 0 50 EFAA CN(C)C(=O)[C@@H]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)C1 413941716 VIOXUGMGEVIRAW-CQSZACIVSA-N 334.847 2.599 0 50 EFAA F[C@H]1C[C@@H](CN[C@@H]2CCC[C@@H](C3CC3)C2)N(Cc2cncnc2)C1 328642128 QVZTYKUHNUUZBL-HCXYKTFWSA-N 332.467 2.947 0 50 EFAA Cc1cc(O)nc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c1 332204948 SNDMUSJFHLJKHP-UHFFFAOYSA-N 325.412 2.837 0 50 EFAA Cc1c(NC(=O)C(=O)N(C)[C@H]2CCSC2)cccc1C(F)(F)F 127375921 QAJCQVBPWSOOKK-JTQLQIEISA-N 346.374 2.916 0 50 EFAA O=C(COc1ccccc1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 345598503 BTFCDIJBVMUCKM-GUYCJALGSA-N 333.334 2.678 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 253416280 PKUKDYJDWNGKPV-LBPRGKRZSA-N 346.818 2.564 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(F)c1Cl 253427564 NFHYTLKYHFQDTK-GFCCVEGCSA-N 348.809 2.976 0 50 EFAA CC(C)NC(=O)c1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1 378357528 RVUUXSFRVSXHFX-UHFFFAOYSA-N 344.455 2.856 0 50 EFAA O=C(CC1CCOCC1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 378335265 FSIDKWYWYZTXGE-GOSISDBHSA-N 337.847 2.663 0 50 EFAA COC1(C[C@@H](C)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CCC1 496970363 BCWJQVGQLHNARM-SOLBZPMBSA-N 334.508 2.740 0 50 EFAA Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1 265301722 VDFZLBHWDUNGJU-RYUDHWBXSA-N 344.333 2.662 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc(C(N)=O)nc1 163702222 SPEJDAIOEXRVJF-AWEZNQCLSA-N 342.399 2.917 0 50 EFAA COc1ccc([C@H](C)NC(=O)Cn2nc(C)c3cccnc32)cc1F 929416864 ULDIMNXSLCUXFU-NSHDSACASA-N 342.374 2.765 0 50 EFAA C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 1875268435 QVEXVPRQTMKWDP-SCZZXKLOSA-N 328.401 2.561 0 50 EFAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)NCc1cccc2c1CCCC2 1875293765 BEYZPPUQVNVTDQ-GOSISDBHSA-N 348.450 2.628 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](N=c2cncc[nH]2)C1)c1cccc(F)c1 1875274102 GWUQQMIXYSKZFL-YSVLISHTSA-N 342.418 2.886 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)N1CCS[C@@H]2CCC[C@@H]21 1875278226 JZZUJXLKSVWJHD-LSDHHAIUSA-N 332.473 2.835 0 50 EFAA CC[C@](C)(CCO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 888097458 KLDLWIZRIXIZBN-OAHLLOKOSA-N 346.349 2.620 0 50 EFAA Cc1cc(C)cc(C2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)c1 891291593 WKSZBYFKSMCMFQ-MRXNPFEDSA-N 349.496 2.834 0 50 EFAA O=C(NCc1ccnc(-n2cncn2)c1)NC[C@@H]1CCC=CCCC1 896101249 UDKLSEVRNDWXMN-OAHLLOKOSA-N 340.431 2.598 0 50 EFAA COCCc1nsc(NCCc2c[nH]c3cnc(Cl)cc23)n1 1775987698 YFMYECGMWXSHPT-UHFFFAOYSA-N 337.836 2.911 0 50 EFAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(C)(=O)=O)CC2 106189 KIDDSQJMLGYDIN-SFHVURJKSA-N 347.436 2.611 0 50 EFAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c(C)c1 5553174 VCOVCZLURGNSHP-UHFFFAOYSA-N 347.392 2.662 0 50 EFAA NCCCN(CC1CCCC1)C(=O)C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1 2325778822 RFAFFMQAFPCGNF-GUDVDZBRSA-N 335.536 2.770 0 50 EFAA Cc1sc([C@H](C)N)nc1C(=O)NCc1ccc2cnccc2c1 2325856509 SGJNUHFQFKUFPN-JTQLQIEISA-N 326.425 2.949 0 50 EFAA CC(=O)N1CCCCC2(C1)CN(C(=O)c1ccc3cccnc3c1)C2 2325871376 JJYHHIVTNSVLGQ-UHFFFAOYSA-N 337.423 2.709 0 50 EFAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(N(C)C)cc2)c2ccccc21 302255 GJVIWWNBXLBCKL-FQEVSTJZSA-N 338.407 2.580 0 50 EFAA COc1cccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)c1 352157 QLOFJRJIVNIGEZ-IUODEOHRSA-N 342.317 2.948 0 50 EFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356142070 CELYBCWYDJFXMI-FQEVSTJZSA-N 347.422 2.716 0 50 EFAA O=C(c1cccc2c1OCCO2)N1CCC(OC(F)(F)F)CC1 2356142340 OGBJFLDGTNEPLW-UHFFFAOYSA-N 331.290 2.599 0 50 EFAA Cc1ccc(OCCSc2nnc(SCC(N)=O)s2)cc1 6107369 JLTRZLLJPRJBHJ-UHFFFAOYSA-N 341.483 2.595 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 7398716 MZEFIQNXORTDQP-ZDUSSCGKSA-N 330.334 2.634 0 50 EFAA O=c1[nH]c(NCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2 8772828 SDQBFQCDLUKPHJ-UHFFFAOYSA-N 325.412 2.599 0 50 EFAA c1cncc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCOC2)c1 55393649 FWPKIZDRKFYXPZ-KRWDZBQOSA-N 326.396 2.849 0 50 EFAA Cc1ccc2ncc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)c(=O)n2c1 114441000 KROYPNSYMJYYGU-FQEVSTJZSA-N 337.423 2.965 0 50 EFAA O=C(c1cnc2sccn2c1=O)N1CCC[C@@]2(CC=CCC2)C1 114436469 FZLFPYYKYJSDDA-KRWDZBQOSA-N 329.425 2.719 0 50 EFAA CS(=O)(=O)Cc1nc(C2CC2)nn1-c1ccccc1C(F)(F)F 65536728 HWPFQPLQUYUICK-UHFFFAOYSA-N 345.346 2.708 0 50 EFAA C[C@H]1CCN(Cc2nnnn2CC(F)(F)F)[C@@H](c2ccco2)C1 248867166 YSLWMJZVAWZXIU-WDEREUQCSA-N 329.326 2.802 0 50 EFAA CC(C)=CCN1CCN(Cc2c(C)nn(C(C)C)c2C)C[C@@H]1CCO 20208166 IBJBGELAYPTWEZ-IBGZPJMESA-N 348.535 2.916 0 50 EFAA C[S@@](=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1 280787918 ONBTXBCGRHDSMS-VOIUYBSRSA-N 349.500 2.574 0 50 EFAA CCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)CC1CCOCC1 252523310 CHTHTSMKZNNJQO-UHFFFAOYSA-N 336.457 2.746 0 50 EFAA Cc1nc(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c(C)s1 120433331 FHHMMAWISMDTMA-UHFFFAOYSA-N 349.437 2.804 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1CCc2ccccc2O1 219743019 HQJHGRQRSBUTTD-GOSISDBHSA-N 327.428 2.811 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cnn3ccccc23)CCCN1CC1CC1 71614035 CNEYLKUYXJXKPO-LJQANCHMSA-N 340.471 2.917 0 50 EFAA CCSc1ccc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)s1 219295135 XEHPLJOCIWCXLB-AWEZNQCLSA-N 326.443 2.527 0 50 EFAA O=C(O)[C@H](CNC(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 324938716 XVVWJJKDZSSCDG-CYBMUJFWSA-N 344.333 2.839 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cc1cccs1 328633960 SXXGBBLMFFXKFP-YJBOKZPZSA-N 329.469 2.837 0 50 EFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cc(F)c(F)c(F)c2)cn1 328630041 IZMPMMOIEPEEEI-CJNGLKHVSA-N 338.333 2.787 0 50 EFAA O=C(NCc1ccc(O)c(Br)c1)[C@H]1COc2ccccc21 151544506 NNOXGANVLNIKQA-LBPRGKRZSA-N 348.196 2.947 0 50 EFAA Cc1nn(C)c(CN2CCC[C@@H](c3cc[nH]n3)C2)c1Br 375689846 FYFUEFZYJABENV-LLVKDONJSA-N 338.253 2.594 0 50 EFAA Cn1cccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 72422045 ZQSLJRCMMKYZKP-UHFFFAOYSA-N 326.425 2.597 0 50 EFAA CC(C)c1cc(N2CCCN(C(=O)C3CCC3)CC2)n2nccc2n1 72129253 DJQFROHXOGMYRD-UHFFFAOYSA-N 341.459 2.692 0 50 EFAA N[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 72171512 VPQRESUXZOXIBE-QGZVFWFLSA-N 349.438 2.844 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CC[C@H](Cc2ccncc2)C1 369126487 LMZNIHAKFXESSL-CQSZACIVSA-N 336.370 2.869 0 50 EFAA O=C(C(=O)N1CCCC[C@H]1CCc1cccc(O)c1)c1cccnc1 71615174 RWGBBDIPKTZFAC-KRWDZBQOSA-N 338.407 2.984 0 50 EFAA COc1ccc2oc([C@@H](C)NC(=O)C3(CN)CCOCC3)c(C)c2c1 261857203 BTYIMSWFYJQJIW-CYBMUJFWSA-N 346.427 2.683 0 50 EFAA CC(C)NC(=O)CCCC(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 370947737 NVYWJCPTNMWTIG-CQSZACIVSA-N 348.447 2.696 0 50 EFAA C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H](C)O1 240551450 GTVHWZNYVFAWQE-ATNYBXOESA-N 347.459 2.989 0 50 EFAA COc1ccccc1OC(C)(C)C(=O)N1CCO[C@H](C(F)(F)F)C1 71755489 AWJVVMSDUMDIFZ-ZDUSSCGKSA-N 347.333 2.642 0 50 EFAA CCc1ccnc(CNC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 241383427 MVGSNPSAWDPWDJ-ROUUACIJSA-N 343.402 2.801 0 50 EFAA CCc1cccc(NC(=O)CN2CCC(OC[C@@H]3CCOC3)CC2)c1 131644376 QQJYEUGJJDKRIZ-QGZVFWFLSA-N 346.471 2.705 0 50 EFAA O=C([C@@H]1CC12CCNCC2)N1CCC(c2c[nH]c3ncccc23)CC1 237933942 CQRGCPAEJOQNMD-KRWDZBQOSA-N 338.455 2.659 0 50 EFAA CC(C)n1cc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)cn1 77456655 RDGDGTLINMVPEU-QGZVFWFLSA-N 338.415 2.617 0 50 EFAA Cc1cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n2nccc2n1 72418842 YYOYTLXQDROROJ-UHFFFAOYSA-N 348.410 2.522 0 50 EFAA Cc1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cnn1-c1ccccn1 73544476 OLMCXIHUBBJMQS-SFHVURJKSA-N 348.406 2.789 0 50 EFAA CC(=O)N1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1 175623043 GCEDDHXDQHGMRB-HNNXBMFYSA-N 348.406 2.832 0 50 EFAA CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C(=O)c1cccs1 175841761 OSOWCLBLHRJADA-JTQLQIEISA-N 344.392 2.912 0 50 EFAA CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCC2 17071106 UYTVNZKDGVRHNK-SECBINFHSA-N 339.413 2.853 0 50 EFAA COc1ccc(C)cc1[C@@H](O)CN1CC[C@@H](CNc2ccccn2)C1 222199906 URJFYLVZTGSTDM-WMZOPIPTSA-N 341.455 2.866 0 50 EFAA Cc1nc2c(n1[C@H]1CCN(Cc3ccnc(N(C)C)c3)C1)CCCC2 299739031 JRROSEKOIMKHEW-KRWDZBQOSA-N 339.487 2.978 0 50 EFAA COc1cccc2c1CC[C@@H]2NS(=O)(=O)CCc1ccccc1 177537414 LRUGXWFVMQAKTD-KRWDZBQOSA-N 331.437 2.845 0 50 EFAA CN1CCC(N(C)C(=O)Nc2ccnn2C[C@H]2CC=CCC2)CC1 426475600 XZBCRRHPXAVTJD-HNNXBMFYSA-N 331.464 2.797 0 50 EFAA O=C(NC[C@@H]1CCCN(CCc2ccccc2)C1)N1CCSCC1 426727383 HWCFMFCEMFVDLQ-SFHVURJKSA-N 347.528 2.700 0 50 EFAA CC(C)N1CCC[C@@]2(CCN(C(=O)CCOc3ccccc3)C2)C1=O 91586404 WHJMXICPHVJDTQ-FQEVSTJZSA-N 344.455 2.705 0 50 EFAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 97346704 CVSXDOMIRCBKRB-CQSZACIVSA-N 331.441 2.915 0 50 EFAA COc1ccc(CN[C@@H](C(C)C)C2(CO)CCC2)c(OC)c1OC 292812782 OXOHHIKTCTTYQJ-SFHVURJKSA-N 337.460 2.989 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)[C@H]2CCO[C@H]21 230096483 YGJSZAIQOLMFOV-DJIMGWMZSA-N 340.427 2.866 0 50 EFAA COCCN1C[C@@H](c2ncnn2-c2ccc(Cl)cc2C)CCC1=O 91997965 GXPQSZNCOKSVNC-ZDUSSCGKSA-N 348.834 2.582 0 50 EFAA CC(C)n1cccc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 91764738 DMXXXETYFUBVKH-HNNXBMFYSA-N 327.432 2.505 0 50 EFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)Cc3cc[nH]n3)CC2=O)cc1 91519047 WHKJVJVWYDUAGP-OAHLLOKOSA-N 340.427 2.545 0 50 EFAA O=C1CCC2(CCN(c3nccs3)CC2)CN1C[C@@H]1CCCO1 91563405 ZDLSTLZLBSJPNJ-AWEZNQCLSA-N 335.473 2.531 0 50 EFAA C[C@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1cccs1 181151599 AZMMLZOKWJAXAX-LBPRGKRZSA-N 337.489 2.940 0 50 EFAA CCN(CC)CCOC(=O)C[C@](C)(O)[C@@H]1CCO[C@](C)(CC)C1 248099609 NJVWNHTWZNLWLA-NXHRZFHOSA-N 329.481 2.608 0 50 EFAA biogenic Cc1nnc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 182194610 FOBJZDJMDWXOIZ-ZCFIWIBFSA-N 347.366 2.964 0 50 EFAA Cc1ncc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c(C(C)C)n1 183725373 KNKJHQDQKAAING-UHFFFAOYSA-N 336.399 2.956 0 50 EFAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)CCN1CCCC1=O 822560017 NGRRMKSDMLWLHN-ZDUSSCGKSA-N 331.416 2.622 0 50 EFAA Cc1noc([C@H](C)n2cnc3ccc(OC(F)(F)F)cc3c2=O)n1 584885526 NZINIDYYKLLRAG-ZETCQYMHSA-N 340.261 2.596 0 50 EFAA Cc1c[nH]nc1C(=O)N1C[C@@H](NCc2sccc2Cl)C[C@@H]1C 988813531 RWLUOQUGBWLJDR-QWRGUYRKSA-N 338.864 2.826 0 50 EFAA Cc1noc(C)c1CCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952966946 GNHRTXFZXOHRKM-SNVBAGLBSA-N 328.372 2.792 0 50 EFAA N[C@H]1CCN(Cc2cccc(OCc3ccc(Cl)cc3)c2)C[C@@H]1O 1565513724 KLIOBEGOPHNQSI-OALUTQOASA-N 346.858 2.813 0 50 EFAA CCc1nc2cc(NC(=O)[C@H]3CCN(CCOC)C3)ccc2n1CC 952975666 GAWPXBAZLWREFN-AWEZNQCLSA-N 344.459 2.525 0 50 EFAA COCCC(=O)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 301706921 SRRWYGUITRNHKR-UHFFFAOYSA-N 331.338 2.540 0 50 EFAA OCCn1nccc1C1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 170088019 CHFFCQSAWHTLDO-QGZVFWFLSA-N 333.476 2.547 0 50 EFAA CC1CCN(c2cccc(NC(=O)N3CC(O)(C4CC4)C3)c2)CC1 170089895 CDZSLNMPCPKYFJ-UHFFFAOYSA-N 329.444 2.912 0 50 EFAA COc1ccc2c(c1)OCCC[C@H]2NCCn1cnnc1C1CC1 170077879 HPTBLYMCPQPQQV-MRXNPFEDSA-N 328.416 2.668 0 50 EFAA CC(C)n1cc(C2=CCCN(C(=O)CCc3ccccn3)CC2)nn1 408522474 JTBVTVFDEOTGKI-UHFFFAOYSA-N 339.443 2.893 0 50 EFAA Cc1cc(NC(=O)C2(O)CCSCC2)cnc1N1CCCC[C@@H]1C 408513939 QNVYXPHWYFCZST-AWEZNQCLSA-N 349.500 2.965 0 50 EFAA CC1(C)C[C@H](NC(=O)c2ccc(N)c(OC(F)(F)F)c2)CCO1 408524071 XIZSPBMMPCZGSV-SNVBAGLBSA-N 332.322 2.855 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)Nc1c(C)nn(C)c1C)CC2 271569254 PMABUSQARAFSQO-UHFFFAOYSA-N 344.415 2.644 0 50 EFAA Fc1ccc(-c2nc(Cn3nnc(-c4ccsc4)n3)no2)c(F)c1 187791993 DSBSOWIMWQWKPY-UHFFFAOYSA-N 346.322 2.778 0 50 EFAA COc1ccccc1Oc1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1 188540320 UZFMJPMZGYYYNA-GOEBONIOSA-N 344.386 2.804 0 50 EFAA CC(C)(O)CN(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 188989352 AIEFRKXHOKRDDN-INIZCTEOSA-N 334.416 2.622 0 50 EFAA Cc1ccnc(-n2nccc2NC(=O)NC[C@@H]2CCC(C)(C)O2)c1 189823351 HVDKMLLTCAMTFW-ZDUSSCGKSA-N 329.404 2.655 0 50 EFAA Cc1ccc(C(C)(C)CN(C)C(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 742012291 BIRVENMGGBBJDC-OAHLLOKOSA-N 335.469 2.679 0 50 EFAA O=C(CN1CC[C@@H](CO)C1)N1c2ccccc2CCc2ccccc21 193379264 YPOLLBFMPPOMGK-MRXNPFEDSA-N 336.435 2.764 0 50 EFAA Cn1nc(CC(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)c2ccccc21 653327421 YENVKYVIZQCFFF-HOTGVXAUSA-N 349.390 2.545 0 50 EFAA CCC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1cc(F)ccc1OC 195529688 XDYHAFNXTDMSAN-WNDFPBNNSA-N 329.437 2.776 0 50 EFAA CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(Br)o2)C1 225394511 BOEZALSVRLMWQS-LLVKDONJSA-N 329.238 2.779 0 50 EFAA Cc1ncc(CN(CCO)C(=O)CCCc2c[nH]c3ccccc23)[nH]1 1704329030 RMVFRENCJKDVMB-UHFFFAOYSA-N 340.427 2.543 0 50 EFAA CCc1cnc(N)nc1NCC1(c2cccc(F)c2)CCOCC1 1772707505 VTMWXMCGUDVREX-UHFFFAOYSA-N 330.407 2.921 0 50 EFAA Cc1[nH]c2c(CNC(=O)CCN3CCCC3=O)cc(F)cc2c1C 12003884 CYBXHHROQNROBU-UHFFFAOYSA-N 331.391 2.553 0 50 EFAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@H]1CCOC1)C2 12026808 QUEYEVMQTGTAKL-HOTGVXAUSA-N 338.407 2.513 0 50 EFAA CCCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 15019407 QFSLBRXLCGUVIL-UHFFFAOYSA-N 337.379 2.824 0 50 EFAA Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@@H]1c1nnc(O)[nH]1 19340503 WKWOMMQEUXVXTN-CQSZACIVSA-N 343.362 2.950 0 50 EFAA O=C(c1ccc2cncn2c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 339936436 CASMBLNIBZSFOD-YOEHRIQHSA-N 343.333 2.561 0 50 EFAA CCN1CC[C@H](CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)C1 252537265 KVALKFFJFORGHB-CYBMUJFWSA-N 348.397 2.531 0 50 EFAA Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1 253416236 GERLIUCSSCUBFU-NVXWUHKLSA-N 349.496 2.599 0 50 EFAA C[C@@H](CNC(=O)c1cc(F)ccc1Br)Cn1ccnc1 153771545 PYXHCPSTHIORBJ-JTQLQIEISA-N 340.196 2.851 0 50 EFAA CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)c1ccccn1 902691153 DUHVVMXKRYLFMM-UHFFFAOYSA-N 348.200 2.617 0 50 EFAA COc1ccc2c(n1)N(C)CCN2C(=O)c1cccnc1C(F)F 906208103 DBASXBZAHSGFHV-UHFFFAOYSA-N 334.326 2.519 0 50 EFAA Cc1noc(C[C@@H]2CCCN(C(=O)Nc3ccn4ccnc4c3)C2)n1 931221391 CNMADUCEUBKTPW-ZDUSSCGKSA-N 340.387 2.512 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2NC(=O)c2cccnc2Cl)cn1 952993398 NATZDIGDQGRTIW-KGLIPLIRSA-N 334.807 2.602 0 50 EFAA O=C(O)C1(C(=O)Nc2cc(OC(F)(F)F)ccc2O)CCCC1 1875292949 XOGPSKCKXCMMDL-UHFFFAOYSA-N 333.262 2.874 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N[C@@H](c3cnn(C)c3)C(C)C)c2c1 885438388 KNSBLRWOBKDFLW-LJQANCHMSA-N 340.427 2.966 0 50 EFAA CCOCc1nc(C)cc(N[C@@H]2CCCc3c2ccc(=O)n3C)n1 894413750 OTNFYJFFBOORSD-CQSZACIVSA-N 328.416 2.510 0 50 EFAA COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(F)c(O)c1F)C2 1776006299 QYXAAUGEMFURJA-LBPRGKRZSA-N 333.334 2.966 0 50 EFAA COc1cccc(/C(C)=C/C(=O)N2CC[C@H](c3cc(O)n[nH]3)C2)c1 898215470 GEADEMWUMPNUQW-BCNIOPEESA-N 327.384 2.543 0 50 EFAA CC(=O)N1CCc2c(NC(=O)[C@@H](CC(=O)O)CC(C)C)cccc21 899779834 DRJMLXGWUWXPCS-CYBMUJFWSA-N 332.400 2.671 0 50 EFAA O=C(c1ccc(Br)cc1)N1CCN(c2ccccn2)CC1 37548 DICRWLUTZHJNTB-UHFFFAOYSA-N 346.228 2.807 0 50 EFAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(C(=O)O)c1)C2=O 68575 KHPPYOQNAYCMOG-UHFFFAOYSA-N 345.694 2.537 0 50 EFAA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1ccc(F)cc1)C2=O 110149 CQOJYURVBYWTDL-KRWDZBQOSA-N 337.354 2.823 0 50 EFAA O=C1C[C@H](NCCc2cccs2)C(=O)N1c1ccc(Cl)cc1 4689941 YUVJPKJLFYOHMG-AWEZNQCLSA-N 334.828 2.866 0 50 EFAA CN(C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[C@H](c2ccccc2)C1 2325771977 IUUZZOCVORLBDT-KBAYOESNSA-N 336.501 2.536 0 50 EFAA CN(Cc1cc2ccccc2n(C)c1=O)[C@H]1CCN(c2ccncc2)C1 2325778570 FGEBOEVMMGYFIZ-IBGZPJMESA-N 348.450 2.644 0 50 EFAA O=C(CCc1cncc2ccccc12)Nc1cnn(C2CCNCC2)c1 2325795109 GBEZUVCNXNXKNM-UHFFFAOYSA-N 349.438 2.927 0 50 EFAA NCC[C@H]1CN(C(=O)c2ncnc3c2ccn3C2CC2)c2ccccc21 2325799354 PQQQOUXSSYDNDS-ZDUSSCGKSA-N 347.422 2.859 0 50 EFAA O=C(Nc1nnc(-c2ccccc2)o1)[C@H]1Cc2ccc(F)cc2O1 2325865929 VCFCOAMQOJSSFL-CQSZACIVSA-N 325.299 2.818 0 50 EFAA NCc1nc2ccc(NC(=O)c3cc(Br)co3)cc2[nH]1 2325869006 VIOZOWZWMUVCML-UHFFFAOYSA-N 335.161 2.629 0 50 EFAA Cn1ncc(C2CCC2)c1C(=O)N1CCOc2c(F)cccc2C1 952993217 FHXMHXHUEZNJFW-UHFFFAOYSA-N 329.375 2.862 0 50 EFAA COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 81256 YBJOUTNLDKWAHP-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 143418 YVYPYKNZONLPNN-UHFFFAOYSA-N 332.425 2.969 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(C)cc1 472022 NZDTVJPOGZTECG-UHFFFAOYSA-N 343.379 2.980 0 50 EFAA COc1ccc(S(=O)(=O)c2cn(C)c3ccc(C)cc3c2=O)cc1 4193274 OFRGBXXHFKAUKN-UHFFFAOYSA-N 343.404 2.688 0 50 EFAA CCCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 6726752 AEWNMFMHWNCJNL-UHFFFAOYSA-N 330.457 2.974 0 50 EFAA Cc1c(C)n(CCCO)c2ncn3nc(-c4cccs4)nc3c12 6764190 XLZYQGPWIHDNRZ-UHFFFAOYSA-N 327.413 2.807 0 50 EFAA O=C(NCCc1nccs1)[C@H]1CCCCN1Cc1ccccc1 174403255 ZGEMLDMBFNAYCW-MRXNPFEDSA-N 329.469 2.857 0 50 EFAA Cc1cccc(C(=O)Nc2cccc(NC(=O)[C@@H]3COCCO3)c2)c1 55413593 VYHIUSHRZWEMJJ-KRWDZBQOSA-N 340.379 2.601 0 50 EFAA Nc1nc2c(s1)[C@@H](c1cc(CN3CCCC3)cs1)CC(=O)NC2 65394342 HLKXOPJLDXDPAB-LLVKDONJSA-N 348.497 2.534 0 50 EFAA CCCN(CCO)Cc1cc(Br)c(OC)cc1OC 23281882 LWKAYKRZGPOJST-UHFFFAOYSA-N 332.238 2.671 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 253369955 KLVWGGCKKNWVMK-RHSMWYFYSA-N 341.459 2.625 0 50 EFAA Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCc1ccccc1 1423902 HKTWUCUIHDKRBB-UHFFFAOYSA-N 344.436 2.600 0 50 EFAA CCc1noc(CCn2ccnc2-c2cnc(-c3ccco3)nc2)n1 72425592 LQTYBNCNKGJSTC-UHFFFAOYSA-N 336.355 2.788 0 50 EFAA CC(=O)N[C@H](C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)C1CCCC1 229874417 LTAXQDGTQWIRTM-KYNGSXCRSA-N 344.455 2.670 0 50 EFAA C[C@@H](c1ccc(NC(=O)N2CCCO[C@H](C)C2)cc1)N1CCOCC1 172250144 OVLRPQRZDDRXNK-CVEARBPZSA-N 347.459 2.723 0 50 EFAA COc1ccc(C2(C(=O)N(C)CCc3c(C)n[nH]c3C)CC2)cc1 215527981 CPDRGBQIYXWPPT-UHFFFAOYSA-N 327.428 2.768 0 50 EFAA CC(C)(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 253432234 XIXOMIMMOHCGAG-AWEZNQCLSA-N 325.430 2.766 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)c2cnc([C@H](C)O)s2)C1(CC)CC 253404790 FBMKCMFEWFOEMJ-WCFLWFBJSA-N 326.462 2.910 0 50 EFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ncn(Cc2ccccc2Cl)n1 6829326 HJZVVYITCMEZKM-BETUJISGSA-N 344.802 2.659 0 50 EFAA O=C1Nc2ccccc2[C@H]1CC(=O)N1CCCN(C2CCCC2)CC1 172418905 FQNCKGDBQKKHDU-QGZVFWFLSA-N 341.455 2.589 0 50 EFAA CCOC(=O)[C@H]1CCCN1C(=O)c1cccc([C@@H]2CCCOC2)c1 362040190 VKYIPAGBBUGNGF-IAGOWNOFSA-N 331.412 2.748 0 50 EFAA Cc1nc([C@H]2CN(C(=O)Cc3csc4ccccc34)CCO2)no1 329539818 MVECSTAWJIANRK-CQSZACIVSA-N 343.408 2.735 0 50 EFAA CCc1cc(N(C)CCCc2nccn2C)n2nc(C)c(C)c2n1 72453541 CCOCCDJMQDCJDF-UHFFFAOYSA-N 326.448 2.711 0 50 EFAA O=C(CN1CCC[C@H]1C(=O)O)N[C@H](c1ccccc1)C1CCCCC1 262688899 YWBWEUUPVUJJAI-PKOBYXMFSA-N 344.455 2.973 0 50 EFAA CSc1nnnn1-c1cccc(NC(=O)COC2CCCCC2)c1 129098267 RJMONZDREKFCME-UHFFFAOYSA-N 347.444 2.672 0 50 EFAA Cc1nc(CC(=O)N2CC[C@H](n3cc4ccccc4n3)C2)cs1 371649345 GFAWEFFZKCTWEW-HNNXBMFYSA-N 326.425 2.817 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282657509 VCRDFPSPYXIDGS-CVEARBPZSA-N 345.370 2.548 0 50 EFAA COc1ccc(C)cc1NC(=O)N1CCN(Cc2ccncc2)CC1 13324770 OTHZSXZVMNWIEY-UHFFFAOYSA-N 340.427 2.748 0 50 EFAA C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H](N2CCCC2=O)CC1 334024070 FXWLHQNGLBBDGS-AEFFLSMTSA-N 349.519 2.548 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)NC2(c3noc(C)n3)CCC2)o1 175627491 NEZROJWWJKLBGB-ZDUSSCGKSA-N 348.403 2.600 0 50 EFAA COC(=O)c1cccc(OCCOc2ccc(C=O)cc2OC)c1 40350476 FCJDHKOPIHQXTE-UHFFFAOYSA-N 330.336 2.752 0 50 EFAA NC1(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 426361338 QIKYCNIEOSCQCK-LJQANCHMSA-N 333.520 2.763 0 50 EFAA Cc1cc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc(C)c1OCC(=O)O 263548788 VLIRCOURMIOQHV-AWEZNQCLSA-N 349.427 2.843 0 50 EFAA Cc1cc(C)n(CCCC(=O)NC[C@H]2OCCc3ccccc32)n1 221181588 VLMJPBIKZFWRKC-GOSISDBHSA-N 327.428 2.710 0 50 EFAA COCCN(Cc1ccc(C)s1)C(=O)NC[C@@]1(C)CCN(C)C1 426589944 HAGPPZJTOZNSGY-QGZVFWFLSA-N 339.505 2.556 0 50 EFAA O=C(Cc1cn2ccsc2n1)N1CCCC[C@H]1CCn1ccnc1 82106568 NNZNFGYLZOGQRK-HNNXBMFYSA-N 343.456 2.606 0 50 EFAA O=C(C[C@@H]1CCCN1)Nc1ccc2nc(N3CCCC3)sc2c1 178675949 ZHSMHWPXEJKZIR-LBPRGKRZSA-N 330.457 2.977 0 50 EFAA Cc1cc(C)n(CCC(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)c(=O)n1 426711505 UQYHUKCCJKOKGE-IRXDYDNUSA-N 343.471 2.749 0 50 EFAA CCc1c(C)nn(C)c1NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 95523872 HYNNQZKNRZLXDS-UHFFFAOYSA-N 332.452 2.975 0 50 EFAA Cc1noc(C)c1[C@H]1CCCN1Cc1cnc(N2CCOCC2)s1 97172864 GDUGGKTXGCABFW-OAHLLOKOSA-N 348.472 2.922 0 50 EFAA O=C(Nc1ccc(CCc2ccccn2)cc1)N1C[C@@H]2CNC[C@@H]2C1 97136906 OLULWIFQXXITHH-CALCHBBNSA-N 336.439 2.550 0 50 EFAA O=C(c1ccc2sccc2c1)N1CCN(C(=O)c2ccc[nH]2)CC1 91908089 LVXSOMHIUONSLR-UHFFFAOYSA-N 339.420 2.828 0 50 EFAA COc1ccccc1-n1nc([C@H]2CCOC2)nc1-c1cnoc1C 96133161 HDQXLMJBJLQTKA-LBPRGKRZSA-N 326.356 2.743 0 50 EFAA CN(C)[C@@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccc(F)cc1 95376711 QZMBXLZIWLHYIJ-GOSISDBHSA-N 346.377 2.857 0 50 EFAA CSCc1noc(CN(C)Cc2cnn(-c3ccccc3)c2)n1 244831485 UEPKYIFTHVHDER-UHFFFAOYSA-N 329.429 2.750 0 50 EFAA C[C@@H](O)[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 182466236 UNAUOACVKMELTM-MNOVXSKESA-N 341.242 2.777 0 50 EFAA CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2c2ccccc2)cc1 298722231 RVQWRHSMKTUIAP-RBUKOAKNSA-N 345.464 2.961 0 50 EFAA Cc1cccc(CN2CCN(C(=O)NC3(C(C)C)CC3)[C@H](C)C2=O)c1 534660291 YBHMNNNIUFAQAZ-MRXNPFEDSA-N 343.471 2.926 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)no1 299788670 WIAMMCOMVSKQLP-GFCCVEGCSA-N 346.383 2.953 0 50 EFAA CC(C)(CC(=O)NCCc1noc([C@H]2CCCO2)n1)c1ccccc1 299761192 WHLLLAKHQAESGN-OAHLLOKOSA-N 343.427 2.948 0 50 EFAA O=C(CN1C=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CCC2 392225354 LHPKHCHHVNOCHG-UHFFFAOYSA-N 340.404 2.595 0 50 EFAA Cc1ncc(C(=O)NC2CCN(Cc3ccccc3F)CC2)c(C)n1 299793261 HUINEIGEOSSQPQ-UHFFFAOYSA-N 342.418 2.627 0 50 EFAA C[C@@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)C1=CCCCC1 299795091 KOUWGYFLMWHMRT-CQSZACIVSA-N 342.443 2.721 0 50 EFAA CCNC(=O)c1ccc(NC(=O)c2scc3c2OCCO3)c(C)c1 653580736 AURBIWMTNIPBBW-UHFFFAOYSA-N 346.408 2.830 0 50 EFAA Cn1ccnc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 584886294 IEUCZOLAWNBLDV-KRWDZBQOSA-N 326.444 2.767 0 50 EFAA Cc1c(CC(=O)Nc2nn(CC(F)F)c3ccccc23)cnn1C 1337791119 KMJVAFPAKLKUDI-UHFFFAOYSA-N 333.342 2.525 0 50 EFAA CC1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC2)CC1 1381587874 OQIPWSMPPNEUAR-UHFFFAOYSA-N 345.491 2.941 0 50 EFAA Cc1ccc(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c1 1565516089 JSZKRDDHMRVKAR-IRXDYDNUSA-N 346.452 2.864 0 50 EFAA CC(C)c1cc(CN2C[C@H]3CN(C4CCCC4)C[C@@]3(C(=O)O)C2)no1 1565512531 BYWRDUJUAJBCGH-LIRRHRJNSA-N 347.459 2.559 0 50 EFAA CCO[C@H](C)c1noc(C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)n1 221825463 AJPWQELETJHPMU-AXUMRRFASA-N 333.432 2.894 0 50 EFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=COCCC1)CC2 275675850 LWSXXJSTNDHSAU-OAHLLOKOSA-N 347.484 2.650 0 50 EFAA C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1ccccc1 170599276 TUKNNWITVKTURZ-ZBFHGGJFSA-N 327.380 2.884 0 50 EFAA NC(=O)c1ccc(NC(=O)c2cccnc2C(F)(F)F)c(F)c1 170608838 UVASPKLECDPHLT-UHFFFAOYSA-N 327.237 2.591 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(C)o2)cc1 165527799 ZGTOTJRKPAQTJZ-CYBMUJFWSA-N 344.367 2.595 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)NCc2ccc3cccnc3c2)C1 635529792 ICNZUQCLLVMETB-CQSZACIVSA-N 327.384 2.631 0 50 EFAA CC(C)(C(=O)N1CCNC[C@@](C)(F)C1)c1cccc(C(F)(F)F)n1 638253363 LYTLNPIGXZSJNO-OAHLLOKOSA-N 347.356 2.538 0 50 EFAA C[C@]1(O)CCCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)C1 188971648 ZWNXGCGALGAJIU-SFHVURJKSA-N 325.368 2.810 0 50 EFAA CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)o1 643887367 NQTBAQBNJZQIKP-CQSZACIVSA-N 343.431 2.769 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(-n4ccnc4)cc3C)[C@H]2C1 192130206 AHJNUOJXALZZPR-HSALFYBXSA-N 341.455 2.949 0 50 EFAA NC1=Nc2nc3ccccc3n2[C@@H](c2cnc(-c3ccco3)s2)N1 195264949 QCKAUASXNOCONV-ZDUSSCGKSA-N 336.380 2.849 0 50 EFAA CCOc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1OCC 662059799 JNUDAYAURRICOR-QGZVFWFLSA-N 346.471 2.928 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 779857405 QKIIFFNNWNMIQE-KBUPBQIOSA-N 333.432 2.905 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N=c1cc(C(C)(C)C)o[nH]1)C2 1851566427 QYESSWIZGGGJRG-LBPRGKRZSA-N 330.384 2.592 0 50 EFAA Cc1noc(NC(=O)c2cnc3ccccn3c2=O)c1-c1ccccc1 1529114971 VRCVOAMXABFTFG-UHFFFAOYSA-N 346.346 2.910 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2ccc(C)cc2C)CC[C@@H]1O 1704303428 XVGMLFGZZQMWDW-HKUYNNGSSA-N 335.444 2.620 0 50 EFAA COc1ccc(CCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)cc1OC 1772809189 ORMLBVQRZJODPW-KRWDZBQOSA-N 348.487 2.825 0 50 EFAA CNCc1nnc(NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)o1 1772702128 QQHIPABCBOQALZ-UHFFFAOYSA-N 342.403 2.749 0 50 EFAA O=C(C1CCOCC1)N1CCCN(c2nccc3ccccc23)CC1 1775983868 DJJZJKQHSXYZKJ-UHFFFAOYSA-N 339.439 2.700 0 50 EFAA Cc1ccoc1C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 11788284 ZFGXHKAEEDZAGW-AWEZNQCLSA-N 335.363 2.779 0 50 EFAA CN(CCO)[C@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 12099789 YSXWDJKBTNZVBD-IBGZPJMESA-N 326.440 2.645 0 50 EFAA O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCOCC1 12710372 MESYPZAHRGEAED-QGZVFWFLSA-N 339.391 2.796 0 50 EFAA Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(C(C)C)cc1 14250057 XXZIIUDRNQMQSQ-UHFFFAOYSA-N 335.473 2.981 0 50 EFAA CN(C)c1nc2nonc2nc1N[C@@H](c1ccccc1)c1ccco1 15078637 CEOMOBSASDXVDF-ZDUSSCGKSA-N 336.355 2.873 0 50 EFAA CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC(N)CC2)n1 236749035 IYVXVAAQXGSQPJ-UHFFFAOYSA-N 328.416 2.597 0 50 EFAA Cc1cnc(N2CCC([C@@H]3CCN(CC(C)(C)C)C3)CC2)nc1N 12307795 PJONMQYPQPMDCK-MRXNPFEDSA-N 331.508 2.952 0 50 EFAA CN(C)c1ccnc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 130272645 VZUNMFZIVBCLCY-MRXNPFEDSA-N 329.400 2.562 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 668269235 GUVLCGLJWNACAA-RISCZKNCSA-N 325.792 2.568 0 50 EFAA CC(C)c1ccoc1C(=O)NCCCNC(=O)c1ccc(O)cc1 252488413 IRKOPAJHFBWPTI-UHFFFAOYSA-N 330.384 2.659 0 50 EFAA Cn1cccc1[C@@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 164030977 SBAAYHKSBGRSEJ-SFHVURJKSA-N 341.386 2.788 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 901329949 IBWOSAOEQKBCNK-AWEZNQCLSA-N 336.819 2.704 0 50 EFAA C[C@H](CS(C)(=O)=O)N(C)C(=O)c1nc2ccccc2cc1C1CC1 903299581 PCIOAXVIBOCISI-GFCCVEGCSA-N 346.452 2.617 0 50 EFAA CCc1cc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc(Cl)n1 928995538 ACXRPIZHPFJKIC-UHFFFAOYSA-N 348.809 2.794 0 50 EFAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]2c2ccnn2C)n1 935793508 FMYKTDGUKWBAHI-KRWDZBQOSA-N 329.448 2.767 0 50 EFAA O=C(NCCc1ccc(C(F)(F)F)cn1)[C@@H]1CSCCS1 952992535 HARFCAGCZNSCOC-NSHDSACASA-N 336.404 2.608 0 50 EFAA CCc1cccc2ccc(C(=O)NC[C@@]34CCC[C@@H](C3)C(=O)N4)nc12 1875296450 XRYPVMNOHMBCKQ-MGPUTAFESA-N 337.423 2.586 0 50 EFAA Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(CC(N)=O)cc3)n[nH]2)c1 1875335321 BMXPKQQLRLVDGM-UHFFFAOYSA-N 348.406 2.974 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(Oc3ccccn3)c2)cn1 1875381204 NLQBWENQAQJVSF-HJPURHCSSA-N 336.395 2.871 0 50 EFAA Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 888076526 RGKGRFFJKWMOIJ-NVXWUHKLSA-N 343.427 2.723 0 50 EFAA O=S(=O)(NC1CCC2(CC1)N=N2)c1ccc(OC(F)(F)F)cc1 1775992113 XKJUEXMDPIXSCM-UHFFFAOYSA-N 349.334 2.968 0 50 EFAA C[C@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775992489 TVDLNSJXKNGTDJ-CVEARBPZSA-N 336.480 2.898 0 50 EFAA O=C(N[C@@H]1CCCSC1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 1775986861 LWYWACPJDRXKCZ-PBHICJAKSA-N 342.468 2.962 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1 380095 MKHUBRLRHZHSQX-UHFFFAOYSA-N 330.409 2.826 0 50 EFAA Cc1nc(CNCc2ccc(-n3cncn3)c(F)c2)c2n1CCCC2 2325722351 YZEQVOIKRICUSR-UHFFFAOYSA-N 340.406 2.537 0 50 EFAA Cc1oc2nc(CN3C[C@H](CCN)c4ccccc43)nc(N)c2c1C 2325763144 CZDCAIFWBPYRRF-ZDUSSCGKSA-N 337.427 2.874 0 50 EFAA CO[C@]1(C(F)(F)F)C[C@H](CN2CC[C@H](C(N)=O)c3ccccc32)C1 2325797356 GYCLIQOIXBKVOZ-DETPVDSQSA-N 342.361 2.823 0 50 EFAA C[C@H](NCc1oc(-c2ccccc2)nc1C(=O)O)[C@H]1CCCOC1 2325803444 HQTQTAOIQDLWHP-JSGCOSHPSA-N 330.384 2.945 0 50 EFAA C[C@H]1C[C@H]1c1nnc2ccc(Oc3ccc4c(=O)cc[nH]c4c3)nn12 2325869192 BUDJNKNWOHYATM-GXFFZTMASA-N 333.351 2.882 0 50 EFAA O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 303766 ZTZJFMDWFGTWTM-UHFFFAOYSA-N 329.347 2.769 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)NC(=O)N1 432520 XXQZJEDAWJLZQX-INIZCTEOSA-N 348.399 2.675 0 50 EFAA Cc1ccnc(S[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)n1 534292 IHQXZNYLVMXUOQ-CQSZACIVSA-N 327.409 2.826 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccccc1OC 1194573 ZBILLTBQSBAYMM-HNNXBMFYSA-N 346.408 2.518 0 50 EFAA COc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC 1886766 BLVKEPVXNOBBEX-UHFFFAOYSA-N 331.324 2.693 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1 2713220 AMVPCSGDWRLKCP-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 2857448 YWIIJOBLJKINIP-KRWDZBQOSA-N 331.460 2.568 0 50 EFAA O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCc2ccccc21 3599243 BDAYADVRAXHNMB-UHFFFAOYSA-N 349.419 2.892 0 50 EFAA CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 4855262 XBQMKPWNPGLDDM-UHFFFAOYSA-N 337.423 2.998 0 50 EFAA Cc1cc(C(=O)N(C)Cc2ccccc2OCC(C)C)cc(=O)[nH]1 55108885 FVWIUCJSHNZTAW-UHFFFAOYSA-N 328.412 2.990 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 8856460 NYICJEZGSRZSKD-KRWDZBQOSA-N 340.379 2.657 0 50 EFAA COc1ccc([C@@H]2N(c3ccccn3)C(=O)[C@H]3CCCN23)c(OC)c1 58046600 QBGZKSGQXDDVIG-QAPCUYQASA-N 339.395 2.609 0 50 EFAA CCc1ncc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cn1 55393172 IZLPLBCXZWETRU-HNNXBMFYSA-N 331.441 2.922 0 50 EFAA CC(C)n1c(S)nnc1CCNC(=O)C[C@H]1CCc2ccccc21 115377260 YCOLDGYCTACPSG-CQSZACIVSA-N 344.484 2.927 0 50 EFAA CCCN(Cc1ccc(OC)cc1)C(=O)CCCN1CCCC1=O 55036597 GDLDDBGGVBEARL-UHFFFAOYSA-N 332.444 2.836 0 50 EFAA CC[C@H](C)S(=O)(=O)N1CCc2[nH]nc(-c3cc(C)oc3C)c2C1 23312077 WHBCLYAZUXYVLF-NSHDSACASA-N 337.445 2.773 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 104445852 YLWPDUYFJPUFOK-NILFDRSVSA-N 346.814 2.840 0 50 EFAA COc1ccc([C@](O)(CCN2CCOCC2)c2ccccc2)cc1 20444438 HIXITYNFFXCAKX-FQEVSTJZSA-N 327.424 2.653 0 50 EFAA CCOc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1CC 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2.677 0 50 EFAA CC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 253425768 OTBZBLSKCKRVBX-JSGCOSHPSA-N 346.374 2.502 0 50 EFAA O=C(c1ccsc1)N1CCCN(C(=O)c2c(O)cccc2F)CC1 120413801 VQFMIMKVYYHWMU-UHFFFAOYSA-N 348.399 2.581 0 50 EFAA Cc1cc(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)no1 172044219 UFXFEYLEJNGVNX-UHFFFAOYSA-N 347.846 2.960 0 50 EFAA CN(C)C[C@@H]1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1O 216341201 NYXJSCVAOIGFOJ-QFBILLFUSA-N 332.488 2.752 0 50 EFAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 281766463 IRELANSYNNWRMV-BONVTDFDSA-N 341.386 2.648 0 50 EFAA CC(=O)Nc1nnc(SCc2noc(-c3ccccc3O)n2)s1 436710621 WPENIFIYFQKPQN-UHFFFAOYSA-N 349.397 2.544 0 50 EFAA O=C(NCCc1ccc(O)cc1)N1CC[C@@H](Oc2cccc(F)c2)C1 363769113 SPBHQUUXKIWWGZ-GOSISDBHSA-N 344.386 2.937 0 50 EFAA Cc1noc(C)c1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1F 240278301 DQGBBCSULWFWNS-UHFFFAOYSA-N 336.348 2.621 0 50 EFAA CS(=O)(=O)CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367662060 ARZZDYWTPWLLEU-XYJFISCASA-N 349.496 2.854 0 50 EFAA O=C(C1CCOCC1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72161518 SKYSHASBJJTAIK-VAMGGRTRSA-N 340.467 2.502 0 50 EFAA CCn1ccc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)cc1=O 77355108 QBKBKQDLWYYBDC-UHFFFAOYSA-N 340.423 2.860 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)C(=O)Nc3ccccc3C)cn2)n1 156547210 LNOWYFWCVCJAAD-UHFFFAOYSA-N 349.394 2.770 0 50 EFAA CCc1nccn1C[C@H]1CCCN1c1ncncc1Br 370654015 PLBXYXJDSRUPKI-LLVKDONJSA-N 336.237 2.667 0 50 EFAA CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](C)n2cc(C)cn2)CC1 72428737 CSNGTIDUCFOBAU-MRXNPFEDSA-N 339.439 2.902 0 50 EFAA Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1 374973032 OGHLJIJUGYEICZ-CVEARBPZSA-N 344.455 2.531 0 50 EFAA Cc1nn(C)c2ncc(CN3CC[C@@H](CNc4ccccn4)C3)cc12 237883910 QSCHGNPCKOCVNO-HNNXBMFYSA-N 336.443 2.606 0 50 EFAA Cc1[nH]c2c(c1C(=O)NCCOc1ccccc1F)C(=O)CCC2 71498812 MHHNUTXXKOSMMJ-UHFFFAOYSA-N 330.359 2.790 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)N2C[C@H]3[C@H](C2)C3(C)C)C1 241231236 KTFWKZZCMJXXGE-PMPSAXMXSA-N 343.471 2.819 0 50 EFAA COCC[C@@H](CO)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 241301105 LQJJNTFQFFYFNN-AWEZNQCLSA-N 335.429 2.637 0 50 EFAA Cc1nnc(-c2ccc(-c3cccc(C(=O)N4CC[C@@H](O)C4)c3)cc2)o1 426513450 ABEDELNAXIQOJE-GOSISDBHSA-N 349.390 2.919 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)Cc2ccc(O)c(F)c2)C1 95365688 HHPVBOMZGHYSKU-UHFFFAOYSA-N 329.371 2.980 0 50 EFAA c1cc(CCN2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)ccn1 142892460 WWYGUGGYVBTGLO-LEWJYISDSA-N 342.531 2.506 0 50 EFAA C[C@@H](Cc1cnccn1)N(C)Cc1cc(F)ccc1-n1cccn1 97813688 UKUQWOZEQRKNQS-AWEZNQCLSA-N 325.391 2.864 0 50 EFAA COCC1(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CCC1 97294851 OTWJFECFSGSKJL-UHFFFAOYSA-N 345.443 2.616 0 50 EFAA CCC[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)C1(Cn2ccnc2)CC1 92097619 BENSGWQQNKCHID-WMZOPIPTSA-N 344.503 2.823 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@H]1COc2cc(OC)ccc2C1 91625364 QEUOQFKXTWRRQV-CYBMUJFWSA-N 346.452 2.890 0 50 EFAA CN(Cc1ccon1)[C@H](C(=O)O)c1ccccc1OC(F)(F)F 95374847 FFBJQKWTPRJNCR-LBPRGKRZSA-N 330.262 2.831 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91820083 DYGKRJFWOXLVFZ-GXTWGEPZSA-N 349.381 2.830 0 50 EFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1(CO)CC1 92021164 LLBSPAPOHLSRCZ-ZDUSSCGKSA-N 346.475 2.504 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2cc(CC(C)C)nn2C)C1 91663887 LJVOXCCVDXQIQL-UHFFFAOYSA-N 343.427 2.531 0 50 EFAA O=C(Nc1ccccc1Cc1ccccc1)N1CCOC[C@H](O)C1 97307064 SVZYSUAFJBGJRL-QGZVFWFLSA-N 326.396 2.502 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)CSCCN2CCCC2)c1C 244646884 GQUNTFYUTGUXMG-ZDUSSCGKSA-N 338.521 2.526 0 50 EFAA CC1(C)Cc2cc(CNc3cc([C@H]4C[C@H](N)C4)nc(N)n3)ccc2O1 244817007 SSSVMZROUUGVRK-MQMHXKEQSA-N 339.443 2.589 0 50 EFAA O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[nH]nc1C1CC1 184183279 BDQVZCGGPLTFRV-OAHLLOKOSA-N 328.416 2.837 0 50 EFAA O=C(CN1CCCC[C@H]1CCn1cccn1)Nc1ccc(F)cc1 244795143 RALZDRVBTPLKIK-KRWDZBQOSA-N 330.407 2.906 0 50 EFAA O=C(CCc1cccc(O)c1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 252523166 BZNXRMMNMAJASF-IHPCNDPISA-N 339.435 2.823 0 50 EFAA CC[C@@](C)(CCNC(=O)Cn1ccccc1=O)c1ccccc1OC 534585960 UFIYVUYYALAXTE-FQEVSTJZSA-N 342.439 2.731 0 50 EFAA CC1=C(c2ccccc2)[C@H]1C(=O)NCCCc1nnc2ccccn12 299789863 AAZYNQRRMUDPBV-IBGZPJMESA-N 332.407 2.882 0 50 EFAA CN1C[C@]2(CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)C2)OC1=O 299780711 LDFJNHNVYGEDJU-HNNXBMFYSA-N 343.305 2.552 0 50 EFAA CCCn1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)n1 823031368 YCOWQVFMFLVAJD-MRXNPFEDSA-N 330.432 2.761 0 50 EFAA CN(Cc1noc(C2CCC2)n1)C(=O)NCCSc1ccccn1 584897284 YEJGGVMTIWLISH-UHFFFAOYSA-N 347.444 2.666 0 50 EFAA Cc1cc(S(=O)(=O)NCc2noc(C(C)C)n2)c2ncccc2c1 670454551 CATORBBUTURIFI-UHFFFAOYSA-N 346.412 2.528 0 50 EFAA CN(C[C@H]1CCCN1C)C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 1362573984 LLUDTNPXCMXDDF-FZKQIMNGSA-N 349.862 2.776 0 50 EFAA CCC(=O)N[C@@H](C)C(=O)Nc1cc(NC(=O)CC(C)C)ccc1C 952987915 OQPUMPQHBYNCDI-ZDUSSCGKSA-N 333.432 2.833 0 50 EFAA COc1cccc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c1 276337439 SPRXWDCPHIMJJM-DLBZAZTESA-N 344.459 2.788 0 50 EFAA CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 275569349 GEIWLGNMVJOCKA-KZNAEPCWSA-N 330.476 2.734 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 186722619 OEGKGSZQBYMFLS-GFCCVEGCSA-N 342.370 2.998 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCN1CC(C)(C)O 186707469 MKYPBFGSSDHRHE-LLVKDONJSA-N 343.830 2.788 0 50 EFAA O=C(NCc1c(F)cc(Br)cc1F)NCC(F)F 187889674 IPHHBXDYDLKIKB-UHFFFAOYSA-N 329.091 2.792 0 50 EFAA O=C(NC[C@H](O)C1CC1)N[C@H](c1c(F)cccc1F)C(F)(F)F 195569570 YANVIZJYDBEXKD-CMPLNLGQSA-N 338.276 2.638 0 50 EFAA C[C@H]1CN(CCOc2cccc(C(=O)O)c2)C[C@@](C)(C(F)F)O1 663316946 JFBXZYNKRZAYOU-ZBEGNZNMSA-N 329.343 2.508 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)C1 1506431475 LPGMCZKAJLHSNN-MRXNPFEDSA-N 335.473 2.583 0 50 EFAA CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)NCC(F)(F)F 225671834 DALHRWZBUCUDFT-SECBINFHSA-N 328.331 2.605 0 50 EFAA CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1 6728757 IKEOJEQDFWGLBD-UHFFFAOYSA-N 332.629 2.882 0 50 EFAA CNCc1nnc(NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)o1 1772708553 CDRPYARHXVXZST-DWLODGJJSA-N 334.464 2.967 0 50 EFAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccoc1 11818555 KGTNDLOZOJUGGZ-HNNXBMFYSA-N 332.787 2.506 0 50 EFAA Cc1cccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C(C)C)c1 16650184 YXKJNRJRWRCMCK-OAHLLOKOSA-N 328.416 2.608 0 50 EFAA Cn1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)nc1Cl 1857693229 NQHUBLPKFARVNT-SNVBAGLBSA-N 345.790 2.630 0 50 EFAA Cc1sc2ccccc2c1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 1857723301 ZENIPLIGRIRDKA-LBPRGKRZSA-N 326.425 2.712 0 50 EFAA Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857723583 MESYCAOKWIMLHF-OFQRWUPVSA-N 334.847 2.630 0 50 EFAA Cc1nnc(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)s1 1875241736 ZPYJHEDURFCEIA-UHFFFAOYSA-N 339.468 2.848 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)nn1C(C)C 412349767 RPMVSRRLNAQAHN-GFCCVEGCSA-N 332.370 2.529 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n1 328950853 LKQSOTQXOQUSKR-ZBFHGGJFSA-N 345.447 2.624 0 50 EFAA O=C(O)Cc1cccc(NS(=O)(=O)c2cnc3ccccc3c2)c1 430978299 NZOKJPQTONKRLI-UHFFFAOYSA-N 342.376 2.663 0 50 EFAA Cc1nc(N2CCC(c3cc(N)[nH]n3)CC2)c2c(C)csc2n1 126481393 LNPFJHUUJNTOGA-UHFFFAOYSA-N 328.445 2.997 0 50 EFAA Cc1nnc(CC(=O)Nc2ccc(Br)c3cccnc23)o1 253393339 WQTWADAOYUWIIT-UHFFFAOYSA-N 347.172 2.870 0 50 EFAA COC(=O)c1scc(C)c1NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 253424409 FTKWMKXMUKGYPK-XYPYZODXSA-N 339.413 2.761 0 50 EFAA C[C@@H]1CN(c2nc(-c3ccccc3)ns2)C[C@]2(CCCOC2)O1 253432024 VJGAXDPTYZEHOO-DYVFJYSZSA-N 331.441 2.979 0 50 EFAA CC(C)Nc1cccc(-c2cn(C[C@@H]3CCC4(COC4)O3)nn2)c1 900603727 IRMXHKPWRVYGJC-INIZCTEOSA-N 328.416 2.713 0 50 EFAA CCOc1c(F)cccc1C(=O)N1CC(=O)NC[C@@H]1c1ccccc1 906462464 IZMIWYDICZBKQN-MRXNPFEDSA-N 342.370 2.538 0 50 EFAA O=C(c1nc(Br)cs1)N1C[C@@H](CO)c2ccccc21 817782314 LHVCIXADUKYUAP-QMMMGPOBSA-N 339.214 2.642 0 50 EFAA C[C@@H](NC(=O)c1ccc2nsnc2c1)C(=O)OCc1ccccc1 1130291505 BOADQOZQQQBZAU-LLVKDONJSA-N 341.392 2.553 0 50 EFAA CC(C)(C)CC(=O)N[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 952845726 LDXYDTVRIZEPSC-LJQANCHMSA-N 332.444 2.658 0 50 EFAA CC(C)CN(c1ccc(F)cn1)S(=O)(=O)c1cnn2ccccc12 1875280092 UBILDOIBTUROPI-UHFFFAOYSA-N 348.403 2.720 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)CC1 1875366124 OTFYSIOEWZCPLL-NRFANRHFSA-N 340.467 2.895 0 50 EFAA CC(C)[C@@H]1N(C(=O)CC2CC(=O)NC(=O)C2)CC12CCCCCC2 1875394906 AOCOKXWPRJVFIR-SFHVURJKSA-N 334.460 2.637 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc2ccccc2c1F 1875334741 CDHGZBJKHAIGMO-GFCCVEGCSA-N 333.384 2.544 0 50 EFAA CO[C@@H](C)c1cn(-c2cccc(CNC(=O)[C@H]3C=CCC3)c2)nn1 1875323444 IYXQHIOUKWTYJP-ZFWWWQNUSA-N 326.400 2.557 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1875319440 CEVNZWRCRYUSKO-LKYGGGAGSA-N 325.412 2.688 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@H](C)c2cc(CO)on2)cc1 888099254 XQDBMEIXRCYUFH-OAHLLOKOSA-N 347.459 2.738 0 50 EFAA CC(C)n1cc(NC(=O)N2CCC[C@]2(CO)c2ccccc2)cn1 1773307049 CDHDWJNCHMOTPU-SFHVURJKSA-N 328.416 2.980 0 50 EFAA COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2 40448931 ICAYJBMICZNBCC-UHFFFAOYSA-N 332.400 2.916 0 50 EFAA in-vitro C[C@@](O)(CNCc1sncc1Br)c1ccccc1 722774775 UIKRQTQMFWYKRM-CYBMUJFWSA-N 327.247 2.903 0 50 EFAA CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1 415893 DQAUAIGHPMXODG-UHFFFAOYSA-N 325.347 2.680 0 50 EFAA Cc1ccc(-n2nnnc2SCC(=O)NC2CCCCC2)cc1C 470349 LZKBCELXOXTXMZ-UHFFFAOYSA-N 345.472 2.820 0 50 EFAA O=S(=O)(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12 618033 VGPXLLFFATXJNH-UHFFFAOYSA-N 333.800 2.899 0 50 EFAA Cc1cccnc1N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O 2244836 XWWMQNAARGEOAT-HNNXBMFYSA-N 334.301 2.637 0 50 EFAA Cc1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)c(-c2ccccc2)n1 2100483884 YFKUSKLXHNPXCK-GASCZTMLSA-N 339.395 2.825 0 50 EFAA Cc1ccccc1C(F)(F)C(=O)NCC(=O)OCc1ccccc1 2325711540 SQLUKXVQBAALDZ-UHFFFAOYSA-N 333.334 2.946 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)[C@@H](O)C1=CCCCC1 2325820672 CMDXKVYXLGHZRC-MSOLQXFVSA-N 325.412 2.602 0 50 EFAA Cn1nc(-c2cnn(Cc3ccccc3)c2)nc1CC[C@H]1CCCO1 2325849618 VNKAFNAEKIPNGK-QGZVFWFLSA-N 337.427 2.839 0 50 EFAA Cc1cc(C(=O)NC2CCC3(CC2)C[C@@H]3C(=O)O)c2c(C)noc2n1 2325864734 YMDDITOWALREQE-NOBQPIJMSA-N 343.383 2.603 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)c2noc3c2C[C@H](C)CC3)C(=O)O)c1 2325865416 BEOXOGMYSYUXLD-QLJPJBMISA-N 342.395 2.972 0 50 EFAA O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCC1 200534 QNEJDIVNWFSNRJ-UHFFFAOYSA-N 336.438 2.785 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(Cc2nnc(C)s2)CC1 2356147170 LFYXYZBGCQXEBV-UHFFFAOYSA-N 345.468 2.919 0 50 EFAA CCCOc1cc(C)c(S(=O)(=O)NCc2ccncc2)cc1C 4414314 IXIACOFLSABPOQ-UHFFFAOYSA-N 334.441 2.966 0 50 EFAA CCCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1 4538659 OUQCAZRPFHJPOC-UHFFFAOYSA-N 335.425 2.650 0 50 EFAA Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 4731709 WPNLVTKMYSEMRY-GFCCVEGCSA-N 344.440 2.962 0 50 EFAA CCOC(=O)c1c(C(=O)N2CCCCC2)n[nH]c1Nc1ccccc1 6380745 MULSKBRCJICXSI-UHFFFAOYSA-N 342.399 2.956 0 50 EFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccccc4)nc3c12 6719664 UVWGIERYEWXPOT-UHFFFAOYSA-N 334.427 2.924 0 50 EFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccnc1O 110977503 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2.903 0 50 EFAA COC(=O)CCc1ccc(NC(=O)[C@H]2Cc3cccc(F)c3O2)cc1 328587333 CKFGGFPFVRFIAI-MRXNPFEDSA-N 343.354 2.874 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=S)NC[C@@H]2CCCO2)s1 6708493 LDJBSBAIHSPNBZ-VIFPVBQESA-N 328.459 2.563 0 50 EFAA Cc1ccc(CN(CCO)Cc2nc(O)c3c(C)c(C)sc3n2)o1 361510191 ZKQRQVAEZQGDSG-UHFFFAOYSA-N 347.440 2.910 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@H](c2nccn2C)C1)c1ccccc1 376120197 YCEWLNIYYVLVPH-DLBZAZTESA-N 342.443 2.697 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n1 124209141 IAIJFJRGOCBNGB-YUMQZZPRSA-N 338.335 2.539 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)c(-c2ccccc2)o1 77440300 ACBSKANDHPLJHG-UHFFFAOYSA-N 338.407 2.997 0 50 EFAA COc1nc2c(cc1CN[C@H]1CCSC1)C(=O)N(C1CCCC1)C2 71415809 XVDOPPZQXBNLMR-ZDUSSCGKSA-N 347.484 2.584 0 50 EFAA CC(C)Oc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccn1 282662347 VJXHZRBIFGLRIT-IAGOWNOFSA-N 344.386 2.956 0 50 EFAA Cn1cnnc1SCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 77540824 MRFMCKGXWCICFM-AWEZNQCLSA-N 334.420 2.800 0 50 EFAA CC(C)OCC(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 72410152 QPJTTXZAGVIEMZ-CYBMUJFWSA-N 333.457 2.806 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1Cc1cnc(-c2ccco2)nc1 216178924 NZKJONVMGZZCQP-MRXNPFEDSA-N 335.363 2.748 0 50 EFAA Cc1oc(CNC(=O)c2csc(C(F)(F)F)n2)cc1C(=O)O 263133274 LVHXAHHQFQGNKU-UHFFFAOYSA-N 334.275 2.692 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 237498214 XVIIJQDZRUZGFZ-FUHWJXTLSA-N 325.456 2.930 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCCn1nc(C)cc1C 222474883 CYUQBECGEJMZLD-MSOLQXFVSA-N 349.475 2.537 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1C(N)=O 285400233 GXEOKCOIJVFUEV-GMSGAONNSA-N 334.725 2.552 0 50 EFAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H]2c2nncn2C)o1 241367989 MJDFWSKFAHCEAY-WFASDCNBSA-N 331.420 2.584 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 241588226 PBAAUVHEQGPXEQ-IBGZPJMESA-N 327.428 2.541 0 50 EFAA CCOc1ccc(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc1 222303552 RDBHSEQZTYWGLU-OALUTQOASA-N 347.455 2.576 0 50 EFAA CC(C)Sc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 224563323 HACGJAIMGKBISE-LLVKDONJSA-N 337.426 2.817 0 50 EFAA CCc1cccc(CC(=O)N2CCC(N3CCCCC3=O)CC2)c1 132401345 MXMUVOFUNMPEIG-UHFFFAOYSA-N 328.456 2.795 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)NCC1(C(=O)O)CC1 263467949 RGMXPGRQTHCMQQ-UHFFFAOYSA-N 333.771 2.853 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)nc2)s1 176359762 XNASLXVRLWRTQR-GFCCVEGCSA-N 347.444 2.566 0 50 EFAA Cn1c(CCN)nnc1SCc1cc(C(F)(F)F)ccc1F 426386929 QFOCEMZRZGMQLA-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA Cc1nn(C)c2nc(N3CCC(O)(c4ccc(F)cc4)CC3)sc12 95499217 APFKMYZSMRVION-UHFFFAOYSA-N 346.431 2.965 0 50 EFAA Cn1c(-c2ccccc2)cn(CC(=O)c2ccc3c(c2)OCO3)c1=N 334157599 QYHMPDNIVOEHIT-UHFFFAOYSA-N 335.363 2.585 0 50 EFAA CCOc1ncccc1CNC(=O)c1cccc([C@@H]2CCCNC2)c1 95366522 FMWBPZDVRIARJB-QGZVFWFLSA-N 339.439 2.877 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 292376162 ZMRGIIZIVYDMND-OUCADQQQSA-N 344.502 2.806 0 50 EFAA Cc1ccccc1[C@@H](C(=O)N1CCC2(CCN(C)C2)CC1)N(C)C 95531693 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347.455 2.552 0 50 EFAA O=C(NCc1ccc2c(=O)cc[nH]c2c1)[C@H]1CCCN1C1CCCC1 408515246 PLDMOVHWVWJFRZ-GOSISDBHSA-N 339.439 2.551 0 50 EFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2cncc(Cl)c2)CC1 408501363 QKSASFITOIEIMX-NSHDSACASA-N 328.821 2.676 0 50 EFAA Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[C@H](O)C1 170089516 CPRAFGKESOBLBM-FZMZJTMJSA-N 341.249 2.718 0 50 EFAA O=C(O)[C@H](Cc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1 170090758 ATJITBLNYBWMIL-KRWDZBQOSA-N 339.370 2.797 0 50 EFAA Cn1c(COc2ccccc2Cl)nnc1S[C@@H]1CCOC1 170605527 MORKSUKIXYZNNP-SNVBAGLBSA-N 325.821 2.929 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2ncn[nH]2)cc1 186034098 XKENLIOOMQRVBZ-HOTGVXAUSA-N 328.416 2.653 0 50 EFAA Cc1nn(C)c2ncc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc12 186897960 WJIGNRGRWVISAV-FQEVSTJZSA-N 348.406 2.548 0 50 EFAA C[C@@]1(c2cccnc2)NC(=O)N(Cc2cc(F)ccc2Cl)C1=O 188220912 XMUIQBRFULVTEL-INIZCTEOSA-N 333.750 2.841 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3nncn3C3CC3)n[nH]2)c(C)c1 189260724 KKVOOVDVAJEKBQ-UHFFFAOYSA-N 336.399 2.550 0 50 EFAA COc1ccc([C@H](NC(=O)N[C@H]2C[C@H](O)C2(C)C)C(F)(F)F)cc1 189404772 ZIFDRNBJXZHLSE-AVGNSLFASA-N 346.349 2.757 0 50 EFAA Cc1ccsc1S(=O)(=O)N1C[C@H](CC(=O)O)c2ccccc21 738798846 ONEJBXOZONYIRS-NSHDSACASA-N 337.422 2.824 0 50 EFAA CN1C(=O)CC[C@H](C(=O)NCC(F)(F)C(F)F)[C@H]1c1ccccc1 192024376 AZIBHLSUPPIMAC-WCQYABFASA-N 346.324 2.613 0 50 EFAA COc1ccccc1-n1ncc(C(=O)N[C@H]2CCOC(C)(C)C2)c1C 194828018 POPXRXRSPIHYIZ-AWEZNQCLSA-N 343.427 2.877 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3scc4c3CCCC4)C[C@H]2O)on1 1529179126 VRZYYNSHARLFED-CZUORRHYSA-N 346.452 2.599 0 50 EFAA COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)c(OC)c1 457320 XLVYLCMDEIQVSF-SOFGYWHQSA-N 332.381 2.823 0 50 EFAA O=C(CCc1cccc(O)c1)NCc1nccn1Cc1ccccc1 1772709060 MRDMOZLBHPOXNU-UHFFFAOYSA-N 335.407 2.886 0 50 EFAA O=C(CCc1ccc(F)cc1)N1CCCN([C@@H]2CCSC2)CC1 1772818603 VFVNGYSEWNMAJX-QGZVFWFLSA-N 336.476 2.798 0 50 EFAA COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 5126423 BXUQULBXEVGUBW-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA 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CCc1cc(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)n(C)n1 635575235 QLIYSYCOTHUYMT-OAHLLOKOSA-N 340.471 2.938 0 50 EFAA Cc1cnc(CCN(C)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 124596294 KGIDLNDZEKZQHZ-BMFZPTHFSA-N 349.500 2.983 0 50 EFAA COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)ccc1O 14645993 CCRPIWFQMLICCY-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro CC1=CC[C@H]2CN(S(=O)(=O)c3ccc(-n4cccn4)cc3)C[C@H]2C1 247845797 SGUDYMDPLBXNMX-JKSUJKDBSA-N 343.452 2.849 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)N[C@H]1CC[C@H](O)CC1 248626520 FVXUIIPXRDZKBT-JYJNAYRXSA-N 332.444 2.718 0 50 EFAA C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)[C@@H]1CO 252572367 ZDBQVGVJPZRCSS-AYOQOUSVSA-N 339.439 2.778 0 50 EFAA Cc1occc1-c1nnc(NS(=O)(=O)c2cc(F)ccc2F)o1 153819890 YDTPVPIUDGCTAS-UHFFFAOYSA-N 341.295 2.717 0 50 EFAA COc1ccc(-c2nc(CN3CCC[C@@H]3c3nncn3C)co2)cc1 156880498 CFXZQRGYKNDYOU-MRXNPFEDSA-N 339.399 2.816 0 50 EFAA COc1cc(OC)cc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)c1 261896443 GBRFMHHVCJVCBC-SFHVURJKSA-N 344.386 2.630 0 50 EFAA CNC(=O)c1sc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc1C 905016546 BXCXORJLBWBIQX-AWEZNQCLSA-N 343.452 2.831 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC[C@@H](n2ccnn2)C1 823241380 XUPZNPKBKLFWSH-QGZVFWFLSA-N 333.395 2.817 0 50 EFAA COc1nn(C)cc1NC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F 931050105 BLVYYBXELDZTKV-DGCLKSJQSA-N 336.342 2.599 0 50 EFAA CC(C)Oc1ccnc(CN2CC(=O)NC[C@H]2c2ccccc2)c1 933321274 BPRAESMOGXDKTG-SFHVURJKSA-N 325.412 2.542 0 50 EFAA CC(C)n1ccc(CC(=O)N2CCC[C@](O)(c3ccccc3)C2)n1 862805006 OHCXZMIYFMTKKA-LJQANCHMSA-N 327.428 2.517 0 50 EFAA CC1=C(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)CCCO1 952848662 QMTXSXXGVUETCS-CVEARBPZSA-N 342.443 2.719 0 50 EFAA COC1(c2nccn2C)CCN(C(=O)[C@H](C)c2ccccc2)CC1 952994106 PNLIUZHSIFYRTC-OAHLLOKOSA-N 327.428 2.688 0 50 EFAA Cc1ncn(Cc2cccc(NC(=O)N3C[C@@]4(C)C[C@H]3CO4)c2)c1C 1875271438 RSIKVQBQHZFKER-PKOBYXMFSA-N 340.427 2.943 0 50 EFAA COC(=O)C(C)(C)c1ncn(Cc2ccccc2C(F)(F)F)n1 1875280892 FKSYATPCUYPPLB-UHFFFAOYSA-N 327.306 2.796 0 50 EFAA COc1cnc2ncnc(N[C@H](C)CN3C[C@H](C)C[C@@H](C)C3)c2c1 1875325957 IESGQLQXDPKETM-MGPQQGTHSA-N 329.448 2.812 0 50 EFAA COc1ccccc1[C@H](NC(=O)Nc1nc(C2CC2)cs1)C(=O)O 1875354180 CDDZGJHBUPBHOV-ZDUSSCGKSA-N 347.396 2.977 0 50 EFAA O=C(NC1([C@@H]2CCCN2C(=O)[C@H]2CC23CC3)CC1)c1sccc1F 1875406557 HJCPYFXFDCIFJA-YPMHNXCESA-N 348.443 2.941 0 50 EFAA Cc1c(C(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)[nH]c2c1C(=O)CCC2 1771829030 PMADZPPPZMSVBV-NHYWBVRUSA-N 336.395 2.534 0 50 EFAA O=C(Nc1nc(C2CC2)ns1)N1CCc2nc[nH]c2C12CCC2 1775985367 CWKGVVINNWWXAE-UHFFFAOYSA-N 330.417 2.608 0 50 EFAA CCC1(CC)CN(C(=O)c2cnn(C)c2Br)CCS1 274520091 WWGCXTDGOBIZMU-UHFFFAOYSA-N 346.294 2.930 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)n2ncnc2N1 93198 DDFVPXLSODINQL-INIZCTEOSA-N 332.367 2.601 0 50 EFAA CC(C)[C@H](C(=O)O)N(Cc1ccccn1)C(=O)[C@H]1CC1(Cl)Cl 2325812848 LWYNGWXPNYAZBR-VXGBXAGGSA-N 345.226 2.713 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C12CCCC2 110632256 PDIVXZMMQMMSLY-DAXOMENPSA-N 333.476 2.994 0 50 EFAA CC1=CC2(CCN(c3ccc(-c4nccn4C)nn3)CC2)OCC1 2356163104 XSTBKUNTFRSJMT-UHFFFAOYSA-N 325.416 2.583 0 50 EFAA O=C(c1ccc(F)cc1F)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356170196 ZPTNNMYVKRGWMG-GOSISDBHSA-N 334.366 2.724 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4511087 UOYXBPVVWWIHAH-LLVKDONJSA-N 342.326 2.546 0 50 EFAA COc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Br 4667042 NRDXGFATBYLVQK-UHFFFAOYSA-N 345.218 2.508 0 50 EFAA COc1ccc(CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC 4722459 KFFUTDYVEDAMFF-UHFFFAOYSA-N 334.460 2.672 0 50 EFAA COC[C@H](C)N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 4998763 WVXRLPRHRVEBLW-VHSXEESVSA-N 345.226 2.815 0 50 EFAA Cc1cc(C)n2c(SCC(=O)Nc3ccccc3C)nnc2n1 6172218 HYJDTOYDBXMGGD-UHFFFAOYSA-N 327.413 2.780 0 50 EFAA COc1cc(NC(=O)CSc2ncccn2)c(OC)cc1Cl 6728726 XKOFMUCKSHDZAK-UHFFFAOYSA-N 339.804 2.878 0 50 EFAA NC(=O)c1c(NC(=O)NCCc2ccccc2)sc2c1CCC2 6755947 NKTOUFZKGPVBCQ-UHFFFAOYSA-N 329.425 2.700 0 50 EFAA O=C(Nc1cnn(Cc2ccncc2)c1)c1cc2c(s1)CCOC2 171296496 ODEVEEUQGGZRKI-UHFFFAOYSA-N 340.408 2.713 0 50 EFAA O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1ccc(-c2nnc(S)o2)cc1 225462393 YZODDNNXQAXDOF-WUHRBBMRSA-N 327.409 2.800 0 50 EFAA Cc1c([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cnn1C 225529758 DHEUJIAZAVORQM-OAHLLOKOSA-N 339.848 2.908 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57291797 BADCTCWZSZYNLQ-QAPCUYQASA-N 333.451 2.643 0 50 EFAA COC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 55142222 IUWSCLHTWIEDKI-UHFFFAOYSA-N 340.423 2.804 0 50 EFAA c1ccc(CNc2ncc(CN3CCCN4CCC[C@H]4C3)cn2)cc1 67446578 YLJVYPDSRRTFDJ-IBGZPJMESA-N 337.471 2.759 0 50 EFAA NC(=O)c1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 65393947 CSECUMDSGGPBPX-RBUKOAKNSA-N 347.418 2.689 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccco3)cnn2c1 67713268 CALHIGCVWDDODA-ZDUSSCGKSA-N 341.415 2.655 0 50 EFAA COc1ccc2c(c1)C[C@H](NCc1nc(-c3cccnc3)no1)CC2 65371000 SBFQHIWFSPPDPV-MRXNPFEDSA-N 336.395 2.787 0 50 EFAA O=C(c1scc2c1CCCC2)N1CCC(N2CCC[C@H](O)C2)CC1 67772613 WEHDSXWWGDVPPJ-INIZCTEOSA-N 348.512 2.688 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCCC[C@H]1CN1CCOCC1 252477723 UPSWDLDXKNWPOF-GBESFXJTSA-N 346.446 2.643 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCN(c2ccnc(C)c2)CC1 216146098 MUGGSUDFGMRIES-UHFFFAOYSA-N 333.867 2.662 0 50 EFAA CC(C)c1ncc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cn1 77407309 ZMXSBTDSVIJDBN-HXUWFJFHSA-N 342.487 2.967 0 50 EFAA O=C(NC1CC1)c1ccc(NCc2cnn(-c3ccccc3)n2)cc1 328589213 LQYBQWJOQKSJLI-UHFFFAOYSA-N 333.395 2.772 0 50 EFAA CCc1nnc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)o1 328649378 VBUIJHYECSLBDN-JTQLQIEISA-N 343.353 2.542 0 50 EFAA CCc1cc(C(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)[nH]n1 253428563 JKNVSZLOQNGYLH-LBPRGKRZSA-N 348.428 2.501 0 50 EFAA Cc1nc2c(C(=O)N[C@H]3CN(C)C[C@H]3c3ccccc3)cccc2o1 253421133 QTYRRXGJVWCGSA-IRXDYDNUSA-N 335.407 2.964 0 50 EFAA O=C(c1ccnc(O)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 253629954 TZHYQKHFKYHMBK-UHFFFAOYSA-N 341.386 2.594 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)c1 331964830 QVKCYTNLGNXTNW-QGZVFWFLSA-N 331.441 2.673 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1 332323576 SCQXTMNYFSUAEE-CYGHRXIMSA-N 344.455 2.892 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2ccnc(N)c2)C1 332320173 NMTMQCKMIZHJNE-GFCCVEGCSA-N 339.365 2.796 0 50 EFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 71415847 UIMQXFIHCINSLJ-UHFFFAOYSA-N 332.363 2.677 0 50 EFAA COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H](c2ccnn2C)C1 369587202 RJJFTGLSHOYQIO-HDMKZQKVSA-N 329.444 2.778 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCC(OC(C)C)CC2)cc1 490563417 YKCVMPNRJVQYDW-UHFFFAOYSA-N 330.428 2.518 0 50 EFAA Cc1sc2nc([C@@H](C)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)nc(O)c2c1C 333026118 AOHOXSIYXXYGJQ-RGCYKPLRSA-N 343.452 2.960 0 50 EFAA C[C@H](CN(C)C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)C(=O)O 237539782 HHZZGSOVSQLDAT-ZXCPCRMDSA-N 335.787 2.851 0 50 EFAA O=C(Cc1ccncc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 239352684 ADAVCNVDIAJFQL-QUCCMNQESA-N 342.414 2.653 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)cc2)n1 262888696 HHMCLCICENNJOP-SFHVURJKSA-N 329.400 2.800 0 50 EFAA Fc1cccc([C@H]2CCCN2Cc2nnnn2CC2CCOCC2)c1 242038573 VMFXDSNSMKZJLV-QGZVFWFLSA-N 345.422 2.576 0 50 EFAA Cc1ncn(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)c1C 223405453 CQDOZHQRFXFTKN-GOSISDBHSA-N 326.444 2.909 0 50 EFAA O=C(c1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1)N1CCCC1 220102821 UOHHLRIVKZGMLD-MRXNPFEDSA-N 349.434 2.913 0 50 EFAA Cn1nccc1C1=CCN(C(=O)c2ccncc2C(F)(F)F)CC1 286414570 RXZABWJSMWZUNZ-UHFFFAOYSA-N 336.317 2.763 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Br 223832525 YDFCHRJNNJDASO-JTQLQIEISA-N 332.581 2.792 0 50 EFAA C[C@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C 20617117 UJESYYKHGJLXKB-NWDGAFQWSA-N 336.480 2.749 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 178971448 KQIAISUHGZZVIE-WDEREUQCSA-N 331.243 2.829 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 91713122 DVNAVYDEQDRIKI-SFHVURJKSA-N 336.432 2.587 0 50 EFAA CC(C)c1nccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 426658271 HCYOCJDWVGINEV-INIZCTEOSA-N 329.375 2.953 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C(=O)O)cc1 239328932 JVRPKCBZICDGAM-AEVLCDIHSA-N 343.379 2.715 0 50 EFAA C[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 95354624 VZJNQPIHZCBLBE-LLVKDONJSA-N 346.456 2.514 0 50 EFAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)c1cnn2c1CCC2 294813218 CCMKDHKPJYQORS-ZBFHGGJFSA-N 329.444 2.973 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]21 91302877 GXIZSOVZVRKXEC-GJZGRUSLSA-N 332.400 2.874 0 50 EFAA NC(=O)c1ccc(NC(=O)CCN2CC[C@@H]2c2ccc(F)cc2)cc1 244873590 WSOPNPRAOFHVLW-QGZVFWFLSA-N 341.386 2.700 0 50 EFAA Cc1oc2c(c1C(=O)N[C@H](c1nccn1C)C(C)C)C(=O)CCC2 299792693 GMNGKLAKDKDXRL-INIZCTEOSA-N 329.400 2.968 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 1076099864 LUEOMUSOPFEYEI-SJORKVTESA-N 344.459 2.525 0 50 EFAA Cc1nc([C@H]2CCCN(c3ccccn3)C2)n(CC(F)(F)F)n1 584888780 IOUJWWXSMIUBTL-LBPRGKRZSA-N 325.338 2.928 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)c1cccc2cnccc12 1565513537 OPUIZUVGDGEPEE-ROUUACIJSA-N 326.396 2.549 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cc(O)nc3cc(F)ccc23)C[C@@H]1N(C)C 1565515859 PVIPABWIJILFBQ-WBVHZDCISA-N 345.418 2.738 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1noc(-c2ccccc2C)n1 277344162 SUIVCXZJVFFKFD-CABCVRRESA-N 329.400 2.866 0 50 EFAA COCCCn1ncc2c(C(=O)OC)c(Br)ccc21 408525253 RUJIHLVWGNCJAW-UHFFFAOYSA-N 327.178 2.622 0 50 EFAA CN(C)C(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 169892272 KVQWQFFNNPTVBZ-UHFFFAOYSA-N 347.503 2.855 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cc(C(C)(C)C)on3)CCO2)o1 275405518 QGMMRQQOJIUCAG-GFCCVEGCSA-N 348.403 2.692 0 50 EFAA O=C(N1CCC[C@@H]1c1csc(NC2CCOCC2)n1)C(F)(F)F 170084271 PIFFNHISXYHAAP-LLVKDONJSA-N 349.378 2.960 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccnnc1 170605672 JEWGXKZSZNNLOJ-UHFFFAOYSA-N 325.290 2.646 0 50 EFAA Cc1ccc(CC(=O)N2CCN(Cc3cc(C)ns3)CC2)cc1 638015781 UCIURQOWVSMOOI-UHFFFAOYSA-N 329.469 2.647 0 50 EFAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NC2(c3cccc(F)c3)CCC2)CC1=O 645348327 QLEUVFAVRKXWHK-UHOFOFEASA-N 345.418 2.513 0 50 EFAA Cn1nccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 193964520 IDIWKAFFUXAWGP-UHFFFAOYSA-N 330.363 2.686 0 50 EFAA CC(C)C[C@@H](NC1CCN(Cc2ccco2)CC1)c1ncnn1C 1506424630 KWKVWIGPIRHRSG-QGZVFWFLSA-N 331.464 2.750 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCC[C@H](OCc2ccccn2)C1 1506403430 BEJSHPPYAYWYDW-KRWDZBQOSA-N 348.406 2.846 0 50 EFAA Cc1cc(C(N)=O)c(NC[C@@H](c2sccc2C)N(C)C)nc1C 1704304388 QXUVUMAWHKNHQX-AWEZNQCLSA-N 332.473 2.882 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C1CCN(c2ccc(F)c(F)c2)CC1 1772701778 HHHZJTWNQJZZJN-CZUORRHYSA-N 349.425 2.629 0 50 EFAA COc1cccc(CCC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c1 1775980453 XYRMOUJBUQGTPP-FQEVSTJZSA-N 339.439 2.858 0 50 EFAA CCCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 11974928 ROKYHRNSKFBNAC-ROUUACIJSA-N 348.418 2.931 0 50 EFAA O=C(c1cnc[nH]1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12445185 GJFWADMYFMWYRK-CYBMUJFWSA-N 339.317 2.512 0 50 EFAA CC[C@H](C(=O)Nc1cccnc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713358 ZUYFLNLBDMBTSA-MRXNPFEDSA-N 347.440 2.573 0 50 EFAA COc1ccc(CC(=O)N2CCN(CCc3ccccc3)CC2)cc1 16603496 SXDRWXKRKOOMIM-UHFFFAOYSA-N 338.451 2.625 0 50 EFAA O=C(O)CN1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857741392 QIZYKKUZTSDTGC-SFHVURJKSA-N 346.471 2.643 0 50 EFAA Oc1nc(N[C@@H]2CCN(c3ncccc3F)C2)nc2ccccc12 301588005 XJYKROLIGMRUHL-LLVKDONJSA-N 325.347 2.560 0 50 EFAA COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)cs3)C2)nn1 408514830 ZQDSOUSDUKIBAP-LLVKDONJSA-N 340.836 2.617 0 50 EFAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(S(C)(=O)=O)o1 332144925 QNZVMCVSGTXGNF-OCCSQVGLSA-N 333.409 2.701 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCC[C@@H](Cn2cncn2)C1 127530424 CLCTWZYICBBBDS-CQSZACIVSA-N 332.835 2.803 0 50 EFAA O=C(NC1(C(=O)O)CCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 237955537 PUTDOOJMJJQRCV-QWRGUYRKSA-N 327.302 2.932 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 263021238 ONGNTJKSWBYFOT-QGZVFWFLSA-N 334.391 2.754 0 50 EFAA CCCc1c(NC(=O)[C@@H]2OCCO[C@@H]2C)cnn1-c1cccc(C)c1 935681457 GGENOJBTGMFGCG-RDTXWAMCSA-N 343.427 2.876 0 50 EFAA O=C(O)c1cncc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1 864128541 KSUQNKKDQUYBJL-QGZVFWFLSA-N 340.379 2.678 0 50 EFAA COC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C2CC2)[nH]1 952895405 UUCDGWFNSLTRLK-AWEZNQCLSA-N 342.399 2.556 0 50 EFAA Cc1ccoc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848557 PGGWMRJWYRRSAA-KGLIPLIRSA-N 326.400 2.849 0 50 EFAA O=C1CC[C@@H](c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)N1 1875289412 PTCOLQWFDPJMLV-HNNXBMFYSA-N 334.372 2.578 0 50 EFAA O=C(CN1CCC[C@H](C(=O)O)C1)Nc1cccc2cc(F)ccc12 1875277397 KILKGUAXZCIJGK-ZDUSSCGKSA-N 330.359 2.714 0 50 EFAA O=C(O)COCC(=O)N[C@@H](CCc1cccc(F)c1)c1ccccc1 1875306159 VVIRMZUUUXNFDI-KRWDZBQOSA-N 345.370 2.717 0 50 EFAA CC1([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 1875310038 AOGQTZINNCLXAK-DLBZAZTESA-N 341.455 2.725 0 50 EFAA COC(=O)/C=C/CCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 1875311924 PCAFJXRGYFLAJI-NEXMIYJRSA-N 329.318 2.958 0 50 EFAA O=C(NC[C@]12OCCC[C@H]1C2(F)F)N1CCCSC[C@@H]1C1CC1 895787531 QGTQSNSEJVISEO-NFAWXSAZSA-N 346.443 2.728 0 50 EFAA Clc1ccc(NC[C@H]2CCCN(c3nccn4nnnc34)C2)cc1 895905856 NRAHSUIBQJRANI-GFCCVEGCSA-N 343.822 2.501 0 50 EFAA C[C@@]1(CO)CCN1C(=O)CCSc1ccccc1Br 1776006707 UCNFVBWJIZVUIX-AWEZNQCLSA-N 344.274 2.915 0 50 EFAA CCOC(=O)c1n[nH]cc1/C=C/c1nc2c(s1)CCC[C@H]2C(=O)O 1776888088 AQZFJUYJAXQMQU-VQCYPWCPSA-N 347.396 2.718 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 193725 ISXRBPWHECMZHZ-CQSZACIVSA-N 334.372 2.649 0 50 EFAA C[C@H](NCc1cccnc1-n1cncn1)c1cnn(-c2ccccc2)c1 2325742081 TVFNGBXHVCYMRO-HNNXBMFYSA-N 345.410 2.699 0 50 EFAA CO[C@H]1CC[C@@H]2[C@H](OC)CC[C@@H]1N2CCSC1CCOCC1 2325784387 YZSUIFYLIIBWEK-WNKDZCFJSA-N 329.506 2.555 0 50 EFAA Cn1nc(C(=O)O)c2c1CN(Cc1cc3cc(Cl)ccc3[nH]1)CC2 2325792013 TZRPOXAMJDLUBS-UHFFFAOYSA-N 344.802 2.811 0 50 EFAA CC(=O)NC[C@H]1CN(Cc2cc(Cl)cc3ccccc23)CCO1 929667574 CIFVQKIAFJQJBL-KRWDZBQOSA-N 332.831 2.830 0 50 EFAA CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(=O)O)cc1 98522 KRTNWLZOTMCHBF-AWEZNQCLSA-N 340.379 2.737 0 50 EFAA biogenic CCCOC(=O)Cn1c(=O)sc2cc(Br)ccc21 2024106 BUXBBUKVKSIRHJ-UHFFFAOYSA-N 330.203 2.779 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)CCCc2cccs2)C[C@@H]1O 2356169974 OTTBAFCJPNCTKP-YOEHRIQHSA-N 339.457 2.535 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1 3909048 HRRDYLFFGXEPIH-UHFFFAOYSA-N 331.391 2.975 0 50 EFAA Cn1c(SCC(=O)Nc2nccs2)nnc1-c1cccs1 4160946 MSGIJNRCYHTLRJ-UHFFFAOYSA-N 337.455 2.731 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 6741612 QOQCXZCNYCVOQX-UHFFFAOYSA-N 343.383 2.668 0 50 EFAA COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(C)C3=O)c1 6747831 QQGRUKJCOZHGAE-SFHVURJKSA-N 335.363 2.966 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)nc2c1 225681738 KOKYOACOCHGWTE-DOTOQJQBSA-N 339.370 2.730 0 50 EFAA O=C1C[C@H](Nc2ccc(CCO)cc2)C(=O)N1c1ccc(Cl)cc1 100615998 FZHOTSGDMSHLKO-INIZCTEOSA-N 344.798 2.619 0 50 EFAA Cn1c([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc2ccccc21 68269626 WILLNHWEWNIPCN-KRWDZBQOSA-N 346.394 2.822 0 50 EFAA O=C1CCCN1CCCn1ccnc1-c1cccc(-n2cccn2)c1 67726923 KOZCHELQQIIJCE-UHFFFAOYSA-N 335.411 2.748 0 50 EFAA C[C@H](c1cccnc1)N1CCN(Cc2cccc3c2OCCO3)CC1 118835871 WMUUDDMVYYLBAQ-MRXNPFEDSA-N 339.439 2.732 0 50 EFAA Cc1nc(C2CCN(c3ncccn3)CC2)n(-c2ccc(F)cc2)n1 65372099 ZPMIDGKUMGPGKB-UHFFFAOYSA-N 338.390 2.889 0 50 EFAA Cc1cccc2cc(CN3CCC[C@@H](Cn4ccnc4)C3)c(=O)[nH]c12 67803176 UWPAYFFLRZUPPG-MRXNPFEDSA-N 336.439 2.945 0 50 EFAA CN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nccn1C 253428375 AFQMYGSURMCXBN-UHFFFAOYSA-N 349.390 2.693 0 50 EFAA COc1ccc(NC(=O)c2cnc[nH]2)cc1NC(=O)c1ccccc1 65534640 NJMHVQVHFTXGRC-UHFFFAOYSA-N 336.351 2.923 0 50 EFAA O=C(N[C@H]1CCN2CCCC[C@@H]12)N[C@@H]1CCOC2(CCCCC2)C1 230166955 MZXBUJIFYZCVIY-IKGGRYGDSA-N 335.492 2.794 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1(C)C 252516933 YBVIUSPPQORURS-ZMSDIMECSA-N 328.460 2.800 0 50 EFAA COC[C@H](C)n1c(CCCC(=O)N2CCCC2)nc2cccnc21 77420983 NRQSXZXDLYYOJJ-AWEZNQCLSA-N 330.432 2.584 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H]1[C@H]1CCCO1 253420884 FFBQUCHQTLXGMO-HUUCEWRRSA-N 333.436 2.959 0 50 EFAA CC(=O)N1CCc2cc(NC(=O)N3C[C@H](C)O[C@H](C4CC4)C3)ccc21 328588782 PSAITFMWOAZNSM-SGTLLEGYSA-N 343.427 2.627 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@H](O)c1ccc(F)cc1 328644016 RNNFJIUUEJEWJG-IHPCNDPISA-N 343.446 2.879 0 50 EFAA Cc1nc(S(=O)(=O)Cc2ccn(C(C)C)n2)n(CC(C)C)c1C 172141456 NOQYGYUILFZSGB-UHFFFAOYSA-N 338.477 2.907 0 50 EFAA FC(F)(F)[C@H]1CN(C2CCN(CCc3ccccc3)CC2)CCO1 71760903 VEZAVIVXGFQXCU-QGZVFWFLSA-N 342.405 2.957 0 50 EFAA CCc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)cc1F 151437314 WRBLMWNYMPQXLE-UHFFFAOYSA-N 337.372 2.816 0 50 EFAA O=C(c1cc2ccccc2nc1O)N1CC[C@H](Oc2ccccn2)C1 363794489 WEHMMMMNQRDJOJ-AWEZNQCLSA-N 335.363 2.629 0 50 EFAA Fc1ccc(CN2CCC[C@H](Cc3nnc4ccccn34)C2)nc1 375494122 FFTWGDXNFCHGIK-CQSZACIVSA-N 325.391 2.718 0 50 EFAA O=C(N[C@H]1CCCN([C@@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1 367560228 UYOVWSMSQSYTBK-LSDHHAIUSA-N 342.361 2.689 0 50 EFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cccc(Oc2cnccn2)c1 237450180 DPFTYRCRUQBOCK-BBRMVZONSA-N 326.400 2.611 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](COc2ccc(F)cc2)C1 72410137 OHZLSKJFKATYLE-CYBMUJFWSA-N 343.402 2.969 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[C@](C)(C(=O)O)C1 237741075 CGXPUCDRJQXXAM-SFHVURJKSA-N 345.374 2.565 0 50 EFAA Cc1c(CN2CCC[C@H]2C(=O)N2CCOCC2)oc2ccccc12 215527421 MYHCYDJPAXZEGW-INIZCTEOSA-N 328.412 2.564 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@H]4OCC[C@H]4C3)c2)n1 369701821 GIQBHTXNZLYBLF-RBUKOAKNSA-N 339.439 2.799 0 50 EFAA O=C(N1CCc2c(nc[nH]c2=O)C1)[C@]1(c2ccccc2)CC12CCCC2 71763066 OTYWBSDEYZLSNT-OAQYLSRUSA-N 349.434 2.557 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H](NC(C)=O)C(C)(C)C)cc1 451397157 QABMVHVOZBZKOE-GVDBMIGSSA-N 332.444 2.608 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CCO[C@H](c3ccccc3F)C2)c1 262124880 KCRZAUXMSGHDPT-KRWDZBQOSA-N 343.354 2.667 0 50 EFAA COCC1(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CCCC1 72462736 BCWUSEVUSZEUDY-MOPGFXCFSA-N 344.499 2.520 0 50 EFAA CCCN1C[C@@H](NC(=O)c2cc(C)nc3c(C)c(C)ccc23)CC1=O 77470099 JWKHHUDSXSDHPM-HNNXBMFYSA-N 339.439 2.901 0 50 EFAA C[C@@H]1C[C@@H](C)N(C(=O)c2ccon2)C[C@H]1CNC(=O)OC(C)(C)C 496472242 NPKCSUWKZLKDGZ-JHJVBQTASA-N 337.420 2.686 0 50 EFAA O=C(N1CCN(c2cccnn2)CC1)C1(c2cccc(Cl)c2)CC1 195047195 NHRUVKHGKRXGIZ-UHFFFAOYSA-N 342.830 2.510 0 50 EFAA Cc1ccc(N2CCC(C(=O)N3CC[C@@H](OCC(C)C)C3)CC2)nc1 177147277 XJUCGYXVJQKMBH-GOSISDBHSA-N 345.487 2.880 0 50 EFAA Cc1ccccc1CN1CCC(NC(=O)N2CCC(C)(O)CC2)CC1 177430737 LNXVRBYIODRMSK-UHFFFAOYSA-N 345.487 2.516 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Cc1cn(C)c2ccccc12 221274718 FLVGCGIBWGWCGJ-UHFFFAOYSA-N 336.439 2.981 0 50 EFAA Cc1nc(N)ccc1-c1cccc(C(=O)N(C)C2CCN(C)CC2)c1 426360417 QPUIIEMDQNBIOG-UHFFFAOYSA-N 338.455 2.805 0 50 EFAA CCC[C@@]1(CO)CCCN(Cc2cnc(-c3ccccn3)nc2)C1 91876849 VVVCUDHGNOAFQB-LJQANCHMSA-N 326.444 2.913 0 50 EFAA CCn1nc(Cn2cncn2)nc1Cc1ccc(C(F)(F)F)cc1 96163608 WFESBTIMAUUDPJ-UHFFFAOYSA-N 336.321 2.547 0 50 EFAA COc1ccc(CCNC(=O)N[C@H]2CCCOCC2)c(Cl)c1 179658986 DYORSADLKYAQBB-ZDUSSCGKSA-N 326.824 2.759 0 50 EFAA CCCCc1noc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 179832021 BDDCHYLWUUOQCY-NSHDSACASA-N 330.388 2.594 0 50 EFAA CC1(C)CN(C(=O)CCCN2CCOCC2)C[C@@H]1c1ccccc1 91678435 IUTISACUFSEVBH-GOSISDBHSA-N 330.472 2.751 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1 237505607 CVNPSOAQVCOLSG-ZBFHGGJFSA-N 330.453 2.854 0 50 EFAA Cc1nn(Cc2ccccc2)c(Cl)c1CNCC1(O)CCOCC1 237654109 FEHUIXFKCBMFBQ-UHFFFAOYSA-N 349.862 2.524 0 50 EFAA O=C([C@H]1COc2ccccc2C1)N1CCC(CCn2cccn2)CC1 91289521 BJCWLVVAEFKUEM-GOSISDBHSA-N 339.439 2.763 0 50 EFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 244691882 JKTTVSAZJTVIHQ-INIZCTEOSA-N 349.862 2.681 0 50 EFAA O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N[C@H](c1ccccc1)C1CC1 247758281 FNXBYJIFINJEEW-YLJYHZDGSA-N 338.455 2.857 0 50 EFAA CCN(C)C[C@H]1CCN(C(=O)Nc2ccnn2-c2ccccc2C)C1 182363597 IQYOJJPXRASCFU-MRXNPFEDSA-N 341.459 2.986 0 50 EFAA CC1(C)C[C@@H](NC(=O)CNC(=O)Nc2cccc(Cl)c2)CCO1 297219670 SSGIPFRVGMONIL-ZDUSSCGKSA-N 339.823 2.535 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cc(O)n1 299745418 YXOFAQZJKXIUSS-GUYCJALGSA-N 330.359 2.742 0 50 EFAA COc1cc(-c2nc(CN(C)Cc3noc(C)n3)cs2)ccc1O 183723091 NRYILJHOHWUTNJ-UHFFFAOYSA-N 346.412 2.848 0 50 EFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1cccc(O)n1 253535974 ZXDAFVORJUNZHG-OHNRDTAOSA-N 349.390 2.577 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 185093635 BPQJYLHMFNLRJG-RBSFLKMASA-N 327.453 2.543 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N2CCC(Cn3ccnc3C)CC2)n1 299784737 OYYYTNKBVQSHJL-KRWDZBQOSA-N 341.459 2.710 0 50 EFAA CCc1nc(C)c(CN2CCC(CNC(=O)c3ccco3)CC2)[nH]1 823550009 LRXSHUXKRIPFBL-UHFFFAOYSA-N 330.432 2.516 0 50 EFAA CN(C[C@@]1(c2ccccc2)CC1(C)C)c1nc(N)c2cnn(C)c2n1 823741555 UCEQDYDLCAKSGD-LJQANCHMSA-N 336.443 2.750 0 50 EFAA COc1ccc2cc([C@@H](C)NS(=O)(=O)N3CCCC3)ccc2c1 670454154 UIBBVIIABQDGOB-CYBMUJFWSA-N 334.441 2.840 0 50 EFAA Cc1ccnc(CC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 670469821 KEFTYEOSNFDEGS-OAHLLOKOSA-N 329.469 2.775 0 50 EFAA Cc1cc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)c(Cl)cc1F 872673959 MSGSAKHEPOISTD-JTQLQIEISA-N 335.828 2.569 0 50 EFAA COCCn1cnnc1[C@H](C)NCc1c(F)ccc(Cl)c1F 952984611 PNJHTOTUOWDMEH-VIFPVBQESA-N 330.766 2.707 0 50 EFAA CC(C)N(Cc1nc(N)c2c3c(sc2n1)CCCC3)C[C@@H](C)O 305442049 NJZSSJGAPRNPJN-LLVKDONJSA-N 334.489 2.744 0 50 EFAA CN(C)CCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccccn1 408524699 XXCORPDRVQSDRB-UHFFFAOYSA-N 344.434 2.613 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 408520809 XVZBDSABRRXPCX-NSHDSACASA-N 349.353 2.899 0 50 EFAA O=C(C1CC1)[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1 170617817 GHVVASIOMKUMQG-ZDUSSCGKSA-N 328.195 2.814 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 170616525 OHQFHNUPAPFXCQ-CQSZACIVSA-N 339.399 2.673 0 50 EFAA C[C@@H](CN1CCCCC1)NC(=O)Nc1ccncc1Br 272689115 PZKQRKDMXBULOK-NSHDSACASA-N 341.253 2.840 0 50 EFAA CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](CO)c2c(F)cccc2F)CCO1 273044023 DEKFKUJCENPUJN-RCBQFDQVSA-N 341.398 2.956 0 50 EFAA COc1ccccc1N1CC[C@@H](CNc2ncnc(N)c2Cl)C1 273148686 WMSLKUMSSLZRSJ-NSHDSACASA-N 333.823 2.659 0 50 EFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(n1)CCCC2 280060439 KHZWLNARNVGCFP-GOSISDBHSA-N 335.407 2.624 0 50 EFAA CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1ccccc1C(F)(F)F 275214541 CPOVAXASKDFZRZ-VIFPVBQESA-N 339.335 2.579 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2csc3ccccc23)o1 275364725 NCIFSVCEFKXTSK-ZDUSSCGKSA-N 329.381 2.806 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl 275355180 NDNCXWQCSBTYMZ-STQMWFEESA-N 340.210 2.987 0 50 EFAA C[C@H]1CN(c2ccc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc2)C[C@@H](C)O1 633682004 SQVMZVSSXNKKGJ-QGWWYQLQSA-N 344.455 2.694 0 50 EFAA Cc1ccccc1[C@H]1CCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 638001474 SJOQUFRWQLOGJV-SJORKVTESA-N 326.444 2.613 0 50 EFAA CCC[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3)CCN1CCOC 649379067 HFSWUNJFTBILKI-GOSISDBHSA-N 345.487 2.618 0 50 EFAA O=C(O)COc1cccc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)c1 659131144 SBJZXUDUZSFNJP-IRXDYDNUSA-N 341.363 2.519 0 50 EFAA CC(=O)NC(C)(C)C[C@@H](C)NCc1nc(C)cc(C(F)(F)F)n1 1506421626 KJZKHOBYEUFDKD-SNVBAGLBSA-N 332.370 2.587 0 50 EFAA COc1ccc(CCNC(=O)CN2CCC[C@H]2c2cccnc2)cc1 1506416826 MOOFAMOECWMMPQ-IBGZPJMESA-N 339.439 2.586 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)CCc2n[nH]c3c2CCCC3)no1 1506406485 LPOFKCJKDRPXHV-KRWDZBQOSA-N 328.416 2.881 0 50 EFAA O=C(CCCc1cccs1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216179215 PDWJGGUEHVUMLK-CVEARBPZSA-N 346.496 2.930 0 50 EFAA CCCOc1cc(Cl)c(CN2C[C@H]3C[C@@H](O)[C@H]3C2)cc1OC 1772708233 AREDTDMEUOJRRD-OSAQELSMSA-N 325.836 2.950 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCC(=O)N(C)C1 1775983362 KWDCJJSJQKDSKW-ZDUSSCGKSA-N 330.407 2.516 0 50 EFAA CCC(CC)CN1CCC[C@H](n2cc(C(=O)N(CC)CC)nn2)C1 12149171 BDKWQFJHQBCLEP-INIZCTEOSA-N 335.496 2.833 0 50 EFAA CC(C)Oc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)cc1 12580545 LEXHKPAASGCDJD-OAHLLOKOSA-N 332.444 2.851 0 50 EFAA O=C(CNc1cccnc1)NCCCc1nc2ccccc2s1 1857688682 WKPGJXONGNHGKM-UHFFFAOYSA-N 326.425 2.852 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)oc2c1 1857697979 BZERWFYXEZLMHH-KMFMINBZSA-N 329.396 2.662 0 50 EFAA Brc1cncc(N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1 302364970 DIZKYFUWLCHVJO-UHFFFAOYSA-N 348.248 2.771 0 50 EFAA CNCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C 225471662 SHFTUDUMIMANOW-OQPBUACISA-N 329.263 2.568 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)Nc2cccnc2N2CCCC2)CCO1 332069048 UQGLCGFGSZGFTD-OAHLLOKOSA-N 332.448 2.961 0 50 EFAA CC1(c2cccc(Br)c2)CCN(C(=O)c2cnn[nH]2)CC1 332403234 AETSBOJCKVCNGU-UHFFFAOYSA-N 349.232 2.761 0 50 EFAA C[C@H](NC(=O)Nc1cc(Cl)ccn1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653545728 KOLWZHMPYDDQHK-INTQDDNPSA-N 325.796 2.992 0 50 EFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C)CC2 14748280 KKFHSNFUGJIXEF-UHFFFAOYSA-N 327.428 2.681 0 50 EFAA COCc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 348260500 NUIRPFRROFNBTK-QZTJIDSGSA-N 329.371 2.920 0 50 EFAA Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)CC3CC3)no2)cn1 371604719 FFAWGJHMPQNVFO-AWEZNQCLSA-N 329.404 2.714 0 50 EFAA Oc1n[nH]c([C@@H]2CCCN(Cc3cc(F)cc4cccnc34)C2)n1 377598715 PIIWOUKAEYIWLL-GFCCVEGCSA-N 327.363 2.577 0 50 EFAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 263134395 LXIWSELRFLLHRP-SOUVJXGZSA-N 329.421 2.972 0 50 EFAA Cc1ccc([C@H]2CCCN2C(=O)NCCNC(=O)c2ccccc2)o1 265214980 FHJLPKXDOPWBQU-MRXNPFEDSA-N 341.411 2.865 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCCC2)CC1 265709543 VOTKMACAFBWXIJ-MRXNPFEDSA-N 345.443 2.940 0 50 EFAA C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 164320628 ANQPQBZTOYLUOX-IUODEOHRSA-N 349.427 2.884 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 901042931 RMTQYYYREHZUHB-ZDUSSCGKSA-N 348.418 2.826 0 50 EFAA CN1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 904218096 ZQSQURZNXMNCKK-INIZCTEOSA-N 342.395 2.726 0 50 EFAA CN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccnn1C1CC1 934526480 KMSRATHTONAUGH-UHFFFAOYSA-N 344.400 2.592 0 50 EFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCO[C@]2(CCCOC2)C1 935917139 VSNMNOLLZDPERM-HXUWFJFHSA-N 340.423 2.627 0 50 EFAA O=C(NCCn1cc(-c2ccccc2)nn1)c1cccc(F)c1F 1159782049 BXILISZHNIWEGB-UHFFFAOYSA-N 328.322 2.653 0 50 EFAA COc1cc([C@@H]2CCCN(C(=O)C(C)(C)C(=O)O)C2)cc(F)c1F 1875292199 ZYXWWVGOPNCDLL-SNVBAGLBSA-N 341.354 2.790 0 50 EFAA Cc1nc2ccc(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)cc2[nH]1 1875252983 QKFBGAJJNRVSEI-NSHDSACASA-N 346.431 2.857 0 50 EFAA O=C(NC[C@]1(F)C[C@@H](CO)C1)c1cc(-n2cccc2)ccc1Cl 1875308547 KQCDYLJUEGOBCU-LAUQKZGBSA-N 336.794 2.971 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2nc3ccccc3n2C2CC2)CC1 1875363340 LPLBOFYXSOCBKC-UHFFFAOYSA-N 338.411 2.734 0 50 EFAA CC(C)C(=O)N1CCCC[C@H](Cn2cc(-c3ccccn3)nn2)C1 1875323910 WJUOJRXFSJHVBZ-HNNXBMFYSA-N 327.432 2.625 0 50 EFAA CCOC(=O)[C@H]1Cc2cccc(F)c2N(Cc2nnc(C3CC3)o2)C1 888100865 GHZLLPCQHKEBJR-ZDUSSCGKSA-N 345.374 2.828 0 50 EFAA CCN1CCN(C2CCN(Cc3nc(C(C)(C)C)co3)CC2)C1=O 891974705 PDODIQSMNZENSC-UHFFFAOYSA-N 334.464 2.694 0 50 EFAA CCc1nsc(N2CCCN(Cc3cnn(C4CCC4)c3)CC2)n1 892200297 DFPDLQNXLUXKLI-UHFFFAOYSA-N 346.504 2.734 0 50 EFAA O=C(NCc1cccc(-c2ccccn2)n1)[C@H]1CSCCS1 1775994025 PPIRTVMEMLGJIU-OAHLLOKOSA-N 331.466 2.608 0 50 EFAA O=S(=O)(Cc1ccccc1C1CC1)Cc1noc2c1COCC2 899483870 KVISWGYMYDODKU-UHFFFAOYSA-N 333.409 2.740 0 50 EFAA CCCCOc1ccc(N2C(=O)C[C@H](N3CCSCC3)C2=O)cc1 95531869 KGOWVZDALVBALO-INIZCTEOSA-N 348.468 2.546 0 50 EFAA O=S(=O)(CCNC(O)=C1N=NC2=C1CCC2)c1ccc(F)cc1 2083588685 RGODFGPACIQREA-UHFFFAOYSA-N 337.376 2.820 0 50 EFAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 139638 CLARHVGWIMGRKZ-GOSISDBHSA-N 344.436 2.547 0 50 EFAA O=C(c1cccs1)[C@H]1CCCN(Cc2ccn3ncnc3c2)C1 2100540829 RLPLNNXPMLMYNE-AWEZNQCLSA-N 326.425 2.886 0 50 EFAA OC1CN(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1 2100557248 YXEPNKGVROIMAS-UHFFFAOYSA-N 334.463 2.899 0 50 EFAA O=C(O)CN(CC1CC1)S(=O)(=O)c1cc2cc(F)ccc2s1 2325790565 VOARYCZTVCVIIJ-UHFFFAOYSA-N 343.401 2.526 0 50 EFAA CN(C)[C@@H]1CCC[C@H](C(=O)NCc2cccc(N3CC=CC3)c2)C1 2325797347 FAVBCLDBHGTKGJ-ZWKOTPCHSA-N 327.472 2.799 0 50 EFAA CN1C(=O)N[C@](C)(c2ccc(NCc3ccc4c[nH]nc4c3)cc2)C1=O 1474193999 DCQOAFGBOZQKKN-LJQANCHMSA-N 349.394 2.572 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)c4ccccc43)cn2)n1 110475331 JFTXSZMJYBUJSU-UHFFFAOYSA-N 347.422 2.981 0 50 EFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc(Br)ccc1F 110054 SCUXHZNCDFYLLT-SNVBAGLBSA-N 342.164 2.639 0 50 EFAA CCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br 384681 QWFYMKHTJZNUAI-UHFFFAOYSA-N 336.251 2.878 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c(OC)c1 452620 UJBASAQSDPAGAE-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA Cc1cc(C)n(-c2ccccc2CN2CCC[C@]23CCCNC3=O)n1 2356155927 OCUFNDCSYYIBNA-FQEVSTJZSA-N 338.455 2.734 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(Cl)c(C)c2)CC[C@@H]1O 2356157099 FALYPAARKANTSP-WMLDXEAASA-N 339.819 2.726 0 50 EFAA CC1=CC2(CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)OCC1 2356161287 OFCCSMILGOKPJK-UHFFFAOYSA-N 331.460 2.697 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc2ncnn12 2356161584 AUXNFCISMQBWME-UHFFFAOYSA-N 333.351 2.623 0 50 EFAA O=C(O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 4959748 FVXWPIOTKXBDHY-UHFFFAOYSA-N 327.365 2.817 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1C[C@@H]2CCC[C@H](C1)C2=O 245703712 LUIKVNUEMGHDDE-UCTWIUBBSA-N 331.456 2.846 0 50 EFAA CC(=O)c1c(F)cccc1N1CCN(Cc2nc(C)c(C)o2)CC1 110535711 AXEDJFIJGOZJNM-UHFFFAOYSA-N 331.391 2.955 0 50 EFAA CC(C)Cc1nnc(NCc2ccccc2N2CCO[C@@H](C)C2)o1 414307905 ZJEXBJVEIWMMAS-AWEZNQCLSA-N 330.432 3.105 0 50 EFAA C[C@H]1CN(C(=O)NCc2ccc(Cl)cc2F)C[C@]2(CCOC2)O1 280438084 XZVRFTYTWKIESQ-ZBEGNZNMSA-N 342.798 2.569 0 50 EFAA CC(=O)N1CCN(C(=O)Nc2ccn(C(C)C)n2)CC12CCCCC2 280684125 GCZRFHUJDZAOGQ-UHFFFAOYSA-N 347.463 2.863 0 50 EFAA Cc1ccc(C)c(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1 10285700 ZXNXZARYNSIIPS-UHFFFAOYSA-N 346.452 2.732 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N(C)CC2(CO)CCCC2)cc1 55042492 PKSQNIFJTZILCT-UHFFFAOYSA-N 333.428 2.669 0 50 EFAA CCOc1ccccc1C(=O)N(CCC(N)=O)Cc1ccccc1 20119865 AEHMQSHSDDYTML-UHFFFAOYSA-N 326.396 2.603 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)NCCC3=CCCCC3)o2)no1 23398639 YKVBOLVPXDQNLI-UHFFFAOYSA-N 330.388 2.972 0 50 EFAA O[C@@H](CN1CCC[C@H]1c1nnc2ccccn12)c1ccccc1F 247803927 XOGPTHCTCISEIP-HOTGVXAUSA-N 326.375 2.739 0 50 EFAA Cn1ccnc1CN1CCc2[nH]nc(CSc3ccccc3)c2C1 20868223 LSVHBFDCPKPRGD-UHFFFAOYSA-N 339.468 2.994 0 50 EFAA CC1=NO[C@@](C)(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)C1 67689158 VNIQZMNBZGWLFM-GOSISDBHSA-N 342.374 2.655 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ccccn2)C1)Nc1ccc(F)cc1 67973777 YGSGJLDOWFPDPO-CQSZACIVSA-N 328.391 2.864 0 50 EFAA C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CCc2c(Cl)cccc21 248745657 SBOIRLHOQCVJNZ-MKBNYLNASA-N 338.835 2.509 0 50 EFAA CCN(CC)Cc1nnc2sc(COc3ccc(F)cc3)nn12 61722165 QNBIHPOFZIBWQG-UHFFFAOYSA-N 335.408 2.746 0 50 EFAA Cc1occc1-c1noc([C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 350468301 VRRIUKAHYZKCLK-GJZGRUSLSA-N 343.383 2.547 0 50 EFAA COC[C@@H](C)C1CCN(c2cc(C3CCNCC3)nc(C)n2)CC1 67909918 BGAOOSHNQFIESD-CQSZACIVSA-N 332.492 2.751 0 50 EFAA CC(C)Cc1ncc(NC(=O)c2ccc(N3CCCC3)nc2)cn1 352502088 QUSZWMJDWUWQJZ-UHFFFAOYSA-N 325.416 2.923 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC2(CC1)OCCO2 120292972 CVVNESZQVAPJNB-UHFFFAOYSA-N 340.383 2.514 0 50 EFAA CC[C@@H]1COCCN1C(=O)Nc1cnc(C(F)(F)F)cc1OC 252483234 DXUNKNNVJQLXNT-SECBINFHSA-N 333.310 2.752 0 50 EFAA O=C([C@@H]1CCCCO1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 215912267 IBEVAAZHCGTJEB-SFHVURJKSA-N 325.412 2.932 0 50 EFAA CCc1nc(C)c(C(=O)NCc2nc(Cc3cccs3)no2)o1 216179180 GIBPVQSIFQRDLE-UHFFFAOYSA-N 332.385 2.511 0 50 EFAA CCN1C[C@H](C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)CC1=O 230167637 PQWKWDUYBKGEFI-MDYRTPRTSA-N 326.440 2.783 0 50 EFAA Cc1nc(CN2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)no1 215672571 HKDQONMMQGJSHL-OAHLLOKOSA-N 348.472 2.609 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)NCc1ccc2c(c1)OCO2 32092323 MLHVQBLKNDGABV-UHFFFAOYSA-N 326.327 2.826 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)Nc1ccc(Br)cn1 121973550 FSGYXWPDRANXED-NSHDSACASA-N 328.210 2.925 0 50 EFAA Cn1nccc1CCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 215378096 BLYZNHNXTBJPBW-UHFFFAOYSA-N 349.438 2.730 0 50 EFAA O=C(c1coc(C2CCOCC2)n1)N1CCOc2cccc(F)c21 330022787 HQISMXBLGVGSTJ-UHFFFAOYSA-N 332.331 2.747 0 50 EFAA CN(Cc1ccccc1OCCn1ccnc1)C[C@H]1CCCCO1 215963563 VLUNLCHZMAABDM-GOSISDBHSA-N 329.444 2.963 0 50 EFAA O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)n1cnnn1 36595035 SREUWYDVBGEBMG-AWEZNQCLSA-N 336.380 2.511 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cnc[nH]c1=O 72409338 QGGBPZMDJQUBPF-UHFFFAOYSA-N 335.363 2.834 0 50 EFAA O=C(NOCCC(F)(F)F)c1ccc(-c2nnc(S)o2)cc1 154983271 OTPVLEBXYXIYMF-UHFFFAOYSA-N 333.291 2.639 0 50 EFAA CC[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)CCN1C(C)C 72149159 FLXWPWHGWRXVAL-OAQYLSRUSA-N 345.531 2.823 0 50 EFAA Cn1ncc2c(N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)ccnc21 367434519 IHYSAJDZZDPWQN-OAHLLOKOSA-N 341.802 2.839 0 50 EFAA Cc1noc2ncnc(N3CCCN(Cc4cccs4)CC3)c12 77385391 OBVRFWALQMPJTQ-UHFFFAOYSA-N 329.429 2.700 0 50 EFAA O=C1C[C@]2(CCN(C(=O)c3ccccc3OC3CCCCC3)C2)CN1 333371536 ZOVVHYBUWJTIHJ-HXUWFJFHSA-N 342.439 2.750 0 50 EFAA CC1(C)CCN(Cc2noc(C3CCCCC3)n2)CC[S@]1=O 333653211 FGTXSMFNDVLHIJ-JOCHJYFZSA-N 325.478 2.850 0 50 EFAA Clc1cnc(N2CC[C@H](n3cncn3)C2)c(Br)c1 373027353 VEEHOVSTWMAZCL-VIFPVBQESA-N 328.601 2.540 0 50 EFAA COc1ccc(-c2noc(Cn3cc(C)nc3C)n2)c(OC)c1OC 72128994 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EFAA O[C@H]1C[C@@H]([C@H](Cc2ccncc2)Nc2ncnc3ccsc23)C1 244673850 HWRRJFWMGNNDGM-GUTXKFCHSA-N 326.425 2.880 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)c3nn(C)c4ccccc34)cc2)no1 252481401 CKNBZOZKVPCFLM-UHFFFAOYSA-N 347.378 2.862 0 50 EFAA CC1(C)CN(C(=O)c2ccsn2)C[C@@H](COc2ccccc2)O1 296946354 GZJZLRGJBAFLJN-AWEZNQCLSA-N 332.425 2.842 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccsc1Cl 297770450 LLUABMLVQMOLIC-PSASIEDQSA-N 336.866 2.879 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 299741874 HLZPDHDBJJHHAW-ABAIWWIYSA-N 337.803 2.747 0 50 EFAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)s1 299749633 LBXVHJIBIRCNNX-WDEREUQCSA-N 341.454 2.573 0 50 EFAA CCc1cccc(CC)c1NC(=O)CCN(C)Cc1nnc(C)o1 252482154 CZSMNWNOLORKQI-UHFFFAOYSA-N 330.432 2.963 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2cc(C(C)C)nc(N)n2)c1 952866510 AIZQPSLLTSQOKL-INIZCTEOSA-N 326.400 2.778 0 50 EFAA C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](F)C[C@H]4CO)cc3c2C1 408053714 PBWYDLDPKCTLHQ-UBHSHLNASA-N 330.403 2.838 0 50 EFAA Cc1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)c(Cl)c1 408522208 FMEQYPFGFBMKRM-UHFFFAOYSA-N 336.863 2.975 0 50 EFAA CCN(CC)Cc1ccc(C(=O)N[C@@](C)(C(=O)OC)C2CC2)cc1 170632985 NRXZQPCQYIIDHR-LJQANCHMSA-N 332.444 2.600 0 50 EFAA Cc1ccc2c(c1)N(C(=O)c1n[nH]c3ccccc3c1=O)C[C@@H](C)O2 170016387 WNARSJJIJZKSOS-GFCCVEGCSA-N 335.363 2.659 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(C(=O)C[C@H]2CSCCS2)C1 170081720 PUAPTCCJTCTSJY-KGLIPLIRSA-N 345.530 2.805 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 186217651 XOZYNSIBPKYOAB-INIZCTEOSA-N 333.819 2.823 0 50 EFAA CN(C(=O)c1cnccn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 186680413 UHDCEUHFLYDQLS-ZIAGYGMSSA-N 338.194 2.514 0 50 EFAA CC(C)OC1CC(NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1 189525553 OAVJPJGPULMVSC-DZIBYMRMSA-N 332.488 2.953 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 189726813 ZNINRINUSHLIDB-GXTWGEPZSA-N 334.445 2.910 0 50 EFAA Cc1ccccc1-c1ccccc1CN1CCC[C@@](O)(CC(N)=O)C1 643747880 RKWAJCFRRUFAML-OAQYLSRUSA-N 338.451 2.864 0 50 EFAA COC[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 654127509 JJRDXEFPXWOFHN-ZFWWWQNUSA-N 338.448 2.601 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccn(-c2ccc(Cl)cc2)n1 654169209 ZYGDQWKDPZCLLR-GFCCVEGCSA-N 332.791 2.523 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccc2c(c1)ncn2C 657410724 KFXGWRJIPASWID-SUMWQHHRSA-N 325.416 2.887 0 50 EFAA CCOc1nc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)co1 773209096 UQOIBYIBESDBCI-CQSZACIVSA-N 338.367 2.714 0 50 EFAA CN(Cc1c(Cl)cncc1Cl)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704338761 FXNJWJVTPIZSBV-OUAUKWLOSA-N 328.243 2.735 0 50 EFAA Cn1ccc(C2CCN(CCOCc3ccccc3)CC2)cc1=O 1772810991 MWMYTOCGABNHGG-UHFFFAOYSA-N 326.440 2.782 0 50 EFAA C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccccn1 12380699 XXLOECKRCAZBPX-NSHDSACASA-N 335.201 2.928 0 50 EFAA O=C1CC[C@@H](CCNCc2cccnc2)N1CCc1ccc(F)cc1 14889071 UCWYNHUUCATDOQ-IBGZPJMESA-N 341.430 2.934 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)N1CCN(CCc2ccccc2)CC1 16579974 OJABWVCUTALUFL-SFHVURJKSA-N 338.451 2.841 0 50 EFAA CC(C)=CCN1CCN(Cc2c(C)nc3sccn23)C[C@@H]1CCO 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328.437 2.984 0 50 EFAA CC[C@@H](CO)NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 253396023 XDEVRVMKQXWECI-JGGQBBKZSA-N 338.245 2.540 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 266429191 RTMKCTQRJGQIFY-ZWKOTPCHSA-N 339.439 2.876 0 50 EFAA Cc1cccc([C@@H]2CCCCN2C(=O)Cn2ccc(C(=O)O)n2)c1C 908832371 BFUKZBSGORFZKA-KRWDZBQOSA-N 341.411 2.952 0 50 EFAA Cn1cncc1[C@H](CO)NC(=O)c1csc(C2CCCCC2)c1 825532318 VFVRFQYBIDGGFX-AWEZNQCLSA-N 333.457 2.993 0 50 EFAA Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c(C)nn(C)c1-n1cccn1 830351565 QVCGBCRDWDXMIM-GFCCVEGCSA-N 341.390 2.853 0 50 EFAA CC(=O)c1ccc(C(=O)NCC[C@](C)(O)c2ccccc2)cc1O 839731389 RTXKHMLQRUJBQJ-IBGZPJMESA-N 327.380 2.622 0 50 EFAA CN=[S@](C)(=O)c1cccc(NC(=O)NCCc2ccncc2C)c1 857761460 INMGETYEWCMCQN-XMMPIXPASA-N 346.456 2.841 0 50 EFAA O=C(NC[C@H]1CN(c2ccccn2)CCCO1)c1cccc(Cl)c1 952852737 PKCSCRKYEHOCNT-INIZCTEOSA-N 345.830 2.760 0 50 EFAA Cc1cnccc1CNS(=O)(=O)C[C@@H]1C[C@@H]1Cc1ccccc1 1875298226 SFSYSIKCCUKBEQ-ROUUACIJSA-N 330.453 2.688 0 50 EFAA O=C(Nc1nc2nccnc2s1)c1cnn(Cc2ccccc2)c1 1875341200 KOBVMRGKUSJTHG-UHFFFAOYSA-N 336.380 2.583 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](C)(NC(=O)[C@H]3COC(C)(C)C3)C2)co1 1875407137 UAAPTQXJKKFEIA-BEFAXECRSA-N 348.443 2.514 0 50 EFAA Cc1cc([C@H](C)NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)c(C)o1 1775959574 HKULCQLINLRATM-JOQOYGCGSA-N 344.459 2.890 0 50 EFAA C[C@H](c1ccncc1)N(C)C(=O)c1csc(C[C@H]2CCNC2)n1 2325778958 XKNXRJGCMLHXMP-CHWSQXEVSA-N 330.457 2.523 0 50 EFAA O=C(C[C@H](C(F)F)n1cccn1)N1CCC[C@@]12CCCSC2 2325781535 DFZFKISAZWXVKA-DOMZBBRYSA-N 329.416 2.968 0 50 EFAA CCN(C1CCC(N)CC1)S(=O)(=O)c1ccc2ncccc2c1 2325783579 JAIJKEMNZSTNOE-UHFFFAOYSA-N 333.457 2.515 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2cnc(C(C)(C)C)s2)CC1 2325788284 WPJCVCLFMCOXEU-CYBMUJFWSA-N 326.462 2.752 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C1CN(Cc2cccc(OCC(F)(F)F)c2)C1 2325792684 DLOUCRXKXLUCIT-UONOGXRCSA-N 329.318 2.780 0 50 EFAA C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(C(=O)O)cc1 2325793300 PCPRTXRCRHIONP-BXUZGUMPSA-N 345.424 2.688 0 50 EFAA Cc1nc(O)c(C)c(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 2325802211 QGKVHHVJPMGNIB-CQSZACIVSA-N 326.400 2.654 0 50 EFAA CN(Cc1cnn(-c2ccccc2)n1)c1ccnc2c1CCC[C@H]2O 2325826710 JZUDOGSDYCHPQI-GOSISDBHSA-N 335.411 2.668 0 50 EFAA CC(C)Oc1ccc([C@H]2CCC[C@H]2NC(=O)c2cnnn2C)cc1 240333433 FDFLZIFGGIGKAX-HZPDHXFCSA-N 328.416 2.668 0 50 EFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 134991 PMAYHEMUIHEPJV-LJQANCHMSA-N 325.364 2.522 0 50 EFAA COCc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 148485 ISKMGYHVEQMJJO-UHFFFAOYSA-N 335.429 3.000 0 50 EFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cn[nH]c3)C2=O)cc1 2356156694 MYHSHEIAJPNABF-IBGZPJMESA-N 338.411 2.520 0 50 EFAA CCCCn1nnc(NC(=O)c2cc3ccccc3cc2OC)n1 2865902 CLPBFEUJDSBMCX-UHFFFAOYSA-N 325.372 2.887 0 50 EFAA COc1cc(NC(=O)COc2ccccc2F)cc(OC)c1OC 2866188 UVYHRCCIYLDGCQ-UHFFFAOYSA-N 335.331 2.869 0 50 EFAA Cc1ccccc1C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4185647 QLQFXTRIAHQDJP-CQSZACIVSA-N 349.477 2.886 0 50 EFAA CSc1nsc(SCC(=O)Nc2cccc(C(=O)O)c2)n1 4502730 CZYDVRZAVPTBFT-UHFFFAOYSA-N 341.439 2.689 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)CSc2ncccn2)s1 6731220 UVWPRPUOAGJECT-UHFFFAOYSA-N 337.426 2.618 0 50 EFAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 7708175 FLMJESDWPBTTQC-UHFFFAOYSA-N 334.372 2.753 0 50 EFAA CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 8234690 ZPMMJBFDWQYRSS-LLVKDONJSA-N 336.461 2.610 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 344107530 PCEUSWXLPZYMKG-GFCCVEGCSA-N 338.333 2.854 0 50 EFAA Cn1cc(CCCNC(=O)Cc2cccc(C(F)(F)F)c2)cn1 102622564 GYAYVDOKZYTKPR-UHFFFAOYSA-N 325.334 2.730 0 50 EFAA O=C(O)CSc1nnc(-c2cnccn2)n1-c1cccc(Cl)c1 65370597 URTPONGIQOENTK-UHFFFAOYSA-N 347.787 2.554 0 50 EFAA CC(=O)Nc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ccccn2)cc1 67956492 YFOKSVOHBDMZLD-HXUWFJFHSA-N 347.422 2.911 0 50 EFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1csc(C)n1)cn2C 65403236 RWTGSFAANLJDOU-UHFFFAOYSA-N 341.436 2.884 0 50 EFAA CC(C)N1CCn2nc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2C1 65528810 KLJJHYYRIQAKPR-GOSISDBHSA-N 342.418 2.833 0 50 EFAA CC(C)CN1CCC[C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 67822082 BJGNTJRLPLECFM-HNNXBMFYSA-N 342.439 2.891 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(C2CC2)n[nH]1 67742850 JHNHNPHYVNQMFX-UHFFFAOYSA-N 335.411 2.804 0 50 EFAA CCCc1cnc(C)nc1N1CCC(O)(c2ccc(C)cn2)CC1 67787408 IFQWUQQQOWHLHG-UHFFFAOYSA-N 326.444 2.929 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H]2CCc3ccccc3C2)C1 328622887 ISWZQICIIUCADP-FHLIZLRMSA-N 327.428 2.945 0 50 EFAA Cc1c([C@H]2[C@H](NCc3ccc([C@H]4C[C@@H]4C)o3)CC(=O)N2C)cnn1C 328615845 BBUUWCBVJAFKPX-DIHAYXGESA-N 342.443 2.507 0 50 EFAA CSc1cccc(NC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c1C 253417946 PEMLDTJELIYURC-CZUORRHYSA-N 349.500 2.901 0 50 EFAA Cc1nc(S)sc1CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 252516759 WNPXAAWJQJOBMA-LERXQTSPSA-N 338.498 2.747 0 50 EFAA CCOc1ccccc1N1CCN(C[C@@H](O)CC(F)(F)F)CC1 253426495 VQBANOMYCWIIND-ZDUSSCGKSA-N 332.366 2.521 0 50 EFAA CN(C(=O)c1cc(C2CC2)on1)[C@H]1CCN(Cc2ccccc2)C1 252572589 ZLOVUCYECKESHS-INIZCTEOSA-N 325.412 2.899 0 50 EFAA O=C1CN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CCN1 355228262 RKKCCDITNDQYFM-UHFFFAOYSA-N 336.800 2.656 0 50 EFAA CC(C)C[C@H]1CCCCCN1CC(=O)N1CCC2(CC1)OCCO2 120735102 WRRYNJZTBBPTQR-QGZVFWFLSA-N 338.492 2.643 0 50 EFAA CCNC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72168649 UBUJMADZOSXSKT-GVDBMIGSSA-N 335.398 2.556 0 50 EFAA CCc1nn(C)c(CC)c1CC(=O)N1CCc2cc(F)c(F)cc21 358490879 IVBUMYCOIZGQBK-UHFFFAOYSA-N 333.382 2.955 0 50 EFAA COc1cccc(S(=O)(=O)N2CCCC[C@H]2CCn2cccn2)c1 77380308 LPHTUWIPFPFRCZ-HNNXBMFYSA-N 349.456 2.525 0 50 EFAA CC[C@@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cccn1 219193584 MUSVAVPLYZWZOX-SFHVURJKSA-N 338.411 2.909 0 50 EFAA CC(C)c1csc(NC(=O)N[C@@H]2CCCN(c3ccnn3C)C2)n1 364974633 RQCPOVAVXKLMPQ-GFCCVEGCSA-N 348.476 2.791 0 50 EFAA CN(C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CCCC1 367161010 SAZCBPCABJMLCY-CQSZACIVSA-N 330.432 2.727 0 50 EFAA Cc1[nH]nc(CCC(=O)N(C)Cc2cc(-c3ccncc3)no2)c1C 77428298 JIMGKKIZTDLEOF-UHFFFAOYSA-N 339.399 2.668 0 50 EFAA O=C(Nc1cncc(Br)c1)N[C@H](CO)c1ccccc1 126406128 FVUNHRBAVHUFHX-CYBMUJFWSA-N 336.189 2.699 0 50 EFAA Cc1nc(S)sc1CC(=O)N1CCC(C2CCOCC2)CC1 156940506 KIXJSKRLZKCYSD-UHFFFAOYSA-N 340.514 2.948 0 50 EFAA CCc1nc2c(N3CCC[C@H](Cn4ccnc4C)C3)ncnc2o1 77470147 NWZZSDBINXGALS-CYBMUJFWSA-N 326.404 2.602 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N1C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C1)C2 71745568 SXQBNSKBYMVTDO-IEHFGQBSSA-N 327.424 2.751 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 237388417 VPMSLRGGEKNZJR-WBMJQRKESA-N 340.427 2.813 0 50 EFAA CSc1cccc(NC(=O)CSc2ccc3nncn3n2)c1 44921283 QUVYNHUUYYPPNQ-UHFFFAOYSA-N 331.426 2.577 0 50 EFAA COc1ncccc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 172815294 RMTOMFGEACNJQW-KRWDZBQOSA-N 339.395 2.783 0 50 EFAA CCc1ccc(-c2ccc(C(=O)N3C[C@H](OC)C[C@H]3CO)o2)cc1 284750211 FUWCWEOTCSUFCT-JKSUJKDBSA-N 329.396 2.731 0 50 EFAA CN(Cc1cccc2ncccc12)C(=O)Cn1nc2ccccc2n1 77420258 YXHQAFXEQGNLRJ-UHFFFAOYSA-N 331.379 2.638 0 50 EFAA O=C(NCc1cccnc1-n1cccn1)[C@@H]1C[C@@]12CCc1ccccc12 175330045 NIXCZNDFRYVYDW-GHTZIAJQSA-N 344.418 2.788 0 50 EFAA CSc1ncc(C(=O)NCc2c[nH]nc2-c2ccccc2)cn1 222799013 RBFTVFRPIZIOBK-UHFFFAOYSA-N 325.397 2.519 0 50 EFAA CCCN1CCC[C@@]2(CCN(c3noc(-c4ccccc4)n3)C2)C1=O 91492962 SEKKUXRMCBPDNE-IBGZPJMESA-N 340.427 2.966 0 50 EFAA Cc1nn(-c2ccccn2)c(C)c1CNC[C@]1(O)CCCC1(C)C 292957870 LEOGAEUKKUNPCU-LJQANCHMSA-N 328.460 2.915 0 50 EFAA CCCc1nc(C)cc(N2CCC(N[C@@H](C)c3ccncn3)CC2)n1 95511815 TVCHSUXSHIYWTK-HNNXBMFYSA-N 340.475 2.847 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)/C=C/c1csc(Br)c1 237406086 MNWCWFCPNQMTMN-ONKIFHLLSA-N 329.263 2.862 0 50 EFAA Cc1cccc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)O4)n(C)c12 95379749 VOSSXUJDZHVWFS-UHFFFAOYSA-N 341.411 2.544 0 50 EFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)CSc2ccccn2)s1 23153389 AWINKAUMNDWDSG-NSHDSACASA-N 347.465 2.698 0 50 EFAA COc1ccccc1NC(=O)CN(C)Cc1ccc2nsnc2c1 244633595 GFPGPSKKNVNPCI-UHFFFAOYSA-N 342.424 2.770 0 50 EFAA c1cnn(CC[C@@H]2CCCCN2Cc2nc(-c3ccncc3)no2)c1 244817033 STGCPZOFXDANTH-INIZCTEOSA-N 338.415 2.773 0 50 EFAA COc1cc(C(c2c(C)n[nH]c2O)c2c(C)n[nH]c2O)ccc1C 252481658 CQARHRPRKUHDCK-UHFFFAOYSA-N 328.372 2.658 0 50 EFAA O=C(Cn1ccc2sccc2c1=O)c1ccc2c(c1)OCCO2 182916581 LDJQJSBJDPCHKB-UHFFFAOYSA-N 327.361 2.717 0 50 EFAA CCN(C)C[C@H](C)CNC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 534670114 AUAHWEJYCNZYFN-CQSZACIVSA-N 345.491 2.643 0 50 EFAA COc1ccc2cc(CN(C)C(=O)CNC[C@@H]3CCCO3)ccc2c1 263261625 SSEIBOBHAGHYLD-IBGZPJMESA-N 342.439 2.575 0 50 EFAA O=C(NC[C@@]1(O)CCCNC1)Nc1ccccc1-c1ccccc1 299795780 MDPJPDFJIHNCET-LJQANCHMSA-N 325.412 2.590 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cc4c(cc3C)OCO4)[C@H]2C1 299773587 DPOFDENFIDEKNH-ZYSHUDEJSA-N 333.428 2.882 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H](C)n2cncn2)c1 822289242 FTTFHVUFVDQMTA-CYBMUJFWSA-N 341.415 2.915 0 50 EFAA CCCCn1nc(Cc2cccnc2)nc1-c1cc2ncccn2n1 822888916 YDMKXCVAAUWFPH-UHFFFAOYSA-N 333.399 2.774 0 50 EFAA Cc1cccc(-c2cccc(C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)c1 907029913 BKWZNLNDFIZEES-GOSISDBHSA-N 336.391 2.939 0 50 EFAA CCn1c([C@H](C)Nc2cncc(-n3cncn3)n2)nc2ccccc21 685914070 VXUMDZNFLKDWEO-LBPRGKRZSA-N 334.387 2.600 0 50 EFAA COCc1nccc(N2CCOC[C@H]2c2nc3ccccc3s2)n1 1335489383 KTFDVGGFQWTIQU-ZDUSSCGKSA-N 342.424 2.811 0 50 EFAA CCCn1c(C)nc2cc(NC(=O)C[C@H](C)N3CCOCC3)ccc21 952869871 OACAVSFAYDKSSH-AWEZNQCLSA-N 344.459 2.804 0 50 EFAA COCCn1cnnc1[C@@H](C)NCc1[nH]c2ccc(F)cc2c1C 952974966 LMLNDJPRRKYOBZ-GFCCVEGCSA-N 331.395 2.704 0 50 EFAA Cc1cc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)co1 890633427 ZYNISYVPHQSKLS-OAHLLOKOSA-N 338.201 2.988 0 50 EFAA c1csc([C@H](CNc2ccc3nccnc3n2)N2CCOCC2)c1 301125773 TUHCHCCSFIWIEY-AWEZNQCLSA-N 341.440 2.572 0 50 EFAA NC(=O)C1CCN(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 408513904 YWGFCPWJNIXIFL-KRWDZBQOSA-N 345.418 2.669 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)sn2)cc1 408514745 JETORGXIYVBURN-AWEZNQCLSA-N 347.465 2.914 0 50 EFAA Cc1cccc(NC(=O)[C@H](C)Cn2ncc3ccccc32)c1C(N)=O 408516279 JBVILPPDMADJSR-CYBMUJFWSA-N 336.395 2.718 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)o1 666765325 HDKBCSNSRUWONS-CHUNWDLHSA-N 330.428 2.714 0 50 EFAA Cc1cccnc1/C=C/C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 170595189 JUDKTKCELZLVEI-BBVFFXRHSA-N 327.403 2.961 0 50 EFAA CCCN1CCN(C(=O)CCc2nc(C)no2)c2cc(F)ccc21 170608957 XRNKDJPGOQWWRI-UHFFFAOYSA-N 332.379 2.713 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)c1ccc(N2CCCCCC2)nc1 186892998 IVFVMRRTBCQUIX-UHFFFAOYSA-N 341.415 2.652 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3ccc([S@@](C)=O)cc3)cc2c1 189411418 LGLWSHDVBMNKAE-XMMPIXPASA-N 342.420 2.844 0 50 EFAA O=C(O)c1cccc(CCNC(=O)c2csc([C@H]3CCCO3)n2)c1 191177317 ADVYWEGWTRAQGN-CQSZACIVSA-N 346.408 2.665 0 50 EFAA CCc1nn(C)c(CC)c1CNC(=O)c1csc(C(F)(F)F)n1 193681351 LHIYZSDHZNUJJO-UHFFFAOYSA-N 346.378 2.950 0 50 EFAA CC(C)(C)c1ccncc1CNc1cnc(N2CCCC2=O)cn1 664012308 DFJJAQLKJHCXSM-UHFFFAOYSA-N 325.416 2.908 0 50 EFAA O=C(Oc1ccc2nccnc2c1)c1ccnc(N2CCCCC2)n1 760756624 PCEKXRCACJCJMN-UHFFFAOYSA-N 335.367 2.629 0 50 EFAA COc1ccc(OCCCN2CCOc3ccc(CO)cc3C2)cc1 1506427012 RACXPWXYUNVWMW-UHFFFAOYSA-N 343.423 2.851 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N1CCCN([C@H]2CCSC2)CC1 1775979307 ZKZICWAWUDEASQ-KRWDZBQOSA-N 345.512 2.614 0 50 EFAA CN(Cc1ccccc1CN1CCCC1)C[C@@H]1CCC(=O)N(C)C1 1775976938 CEFWVLGGUYLCTQ-KRWDZBQOSA-N 329.488 2.583 0 50 EFAA Cc1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCCC1=O 5329271 VMAYPWXYVNPRIB-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA O=C(c1ccoc1)N1CCC[C@](CO)(CCOc2ccccc2)C1 14971406 HOYWXTPPOVFDLI-IBGZPJMESA-N 329.396 2.963 0 50 EFAA Cc1ccccc1CS(=O)(=O)N1CCN(Cc2ccccc2)CC1 16578378 KXWRXZNSUFUICO-UHFFFAOYSA-N 344.480 2.643 0 50 EFAA Cc1cccn2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc12 19939547 NWBLRUIOWZBNLE-UHFFFAOYSA-N 336.395 2.732 0 50 EFAA COc1cccc(/C=C2/N=C(c3ccccc3)OC2=O)c1OC(C)=O 1698467 YRYGCRZQWRIKDF-RVDMUPIBSA-N 337.331 2.965 0 50 EFAA C[C@H]1CN(c2nc(-c3ccccc3)no2)CCN1c1ccc(F)cn1 1857691621 SMIIDEKMLBXEHY-ZDUSSCGKSA-N 339.374 2.986 0 50 EFAA COc1cccc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)c1 328634023 MJNFOYGCEXYAHW-AWEZNQCLSA-N 345.468 2.712 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccc3ncccc3c2)CCO1 328625734 KYLNJRHMHICVLE-MAUKXSAKSA-N 336.395 2.618 0 50 EFAA C[C@H](CN(C)C(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)O 237542083 DLMWAAAENXWPJB-GFCCVEGCSA-N 339.819 2.567 0 50 EFAA O=C(Cc1ccc(F)cn1)OCc1cn(-c2ccc(Cl)cc2)nn1 239762462 CLMHXFGMZPBTRB-UHFFFAOYSA-N 346.749 2.741 0 50 EFAA CCOC(=O)C[C@@H](NC(=O)c1c(C)nn(C)c1C)c1ccccc1C 253392929 HFTQKCJSFIWVSG-MRXNPFEDSA-N 343.427 2.770 0 50 EFAA O=C(O)c1ccc(CN2CCOC[C@@H]2CC2CCOCC2)cc1F 903961097 LBIAQKFJXTWMMH-HNNXBMFYSA-N 337.391 2.541 0 50 EFAA CC1=CC2(CCN(C(=O)c3cccc4c3OCCO4)CC2)OCC1 1704299722 RFIRRICLFCAJGB-UHFFFAOYSA-N 329.396 2.799 0 50 EFAA Cc1nocc1C(=O)N1C[C@@H]2CCC[C@]2(c2nc(C(C)C)no2)C1 869156175 RXDKTHCQRFHDTC-SJCJKPOMSA-N 330.388 2.683 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)CC1 1875365550 XOORWADZQKDZJW-MRXNPFEDSA-N 330.403 2.566 0 50 EFAA Cc1ccc(OC[C@@H]2C[N@@]2CC(C)C)c(C(=O)N=c2cc[nH]cc2)c1 1875385415 SONNUAZFVBLFTJ-GAJHUEQPSA-N 339.439 2.783 0 50 EFAA Cc1cccc([C@@H](CNC(=O)N2CCC3(CC3)C2)N2CCOCC2)c1 1875313773 ULAGTYXCMOSXND-GOSISDBHSA-N 343.471 2.564 0 50 EFAA O=C(c1ccc(Cn2ccnn2)cc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 885218646 UUHHUXJOGHNRQE-RTBURBONSA-N 336.439 2.977 0 50 EFAA c1ccc(CCn2cnc3c2CCN(c2cccc4nncn24)C3)cc1 893097943 BHOYRCPVQHTPPS-UHFFFAOYSA-N 344.422 2.731 0 50 EFAA COCCn1ncc2c1[C@H](NC(=O)c1[nH]ccc1C1CC1)CCC2 1775986470 QBAMZJLXOYHAHN-OAHLLOKOSA-N 328.416 2.542 0 50 EFAA CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(C(C)(C)C)co1 1775989306 JZFHKGZWESJWIG-GFCCVEGCSA-N 329.466 2.696 0 50 EFAA C[C@@H](Oc1ccccc1)c1csc(NC(=O)CCn2cnnc2)n1 2100539805 ZDJNZLMFKUQFBD-GFCCVEGCSA-N 343.412 2.903 0 50 EFAA Cc1cc(-n2cccn2)nc(N[C@H]2CCCc3cc(CN)ccc32)n1 2325772653 KVPJRTSPCOYOLO-KRWDZBQOSA-N 334.427 2.919 0 50 EFAA CN1CCC[C@H](CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)[C@@H]1c1ccccc1 245344086 XIOXWQWCUUAPLK-FQBWVUSXSA-N 343.471 2.689 0 50 EFAA COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)[nH]c(=S)n2C 20604511 CVCOOAQYZMYARM-UHFFFAOYSA-N 345.355 2.584 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 44785 SMJYNFDABLNZDX-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1 185551 FSFQOZPFDYDGRE-UHFFFAOYSA-N 345.351 2.751 0 50 EFAA Cc1ccc(C2(C(=O)N3CCC[C@@]34CCCN(C)C4=O)CC2)cc1 2356151431 IKDYPIGFEWQMBX-HXUWFJFHSA-N 326.440 2.640 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C 4189469 PZSBBAZLJRVUOP-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA COc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1C 6701032 JMGBLSMLRIHMMQ-UHFFFAOYSA-N 334.445 2.753 0 50 EFAA Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC(C)C 6701451 DYHWVIHMFRUNHW-UHFFFAOYSA-N 346.452 2.612 0 50 EFAA C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)Oc1ccc(F)cc1 246018851 JNILSUZQRDYLER-DAXOMENPSA-N 329.437 2.538 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 101828321 VECLMGKGWXLRCE-MGYGNFHQSA-N 327.509 2.934 0 50 EFAA Cc1cc(C)c(C)c(C(=O)NCC2(CN3CCN(C)CC3)CC2)c1C 55200081 DGPBAYXHPZYEED-UHFFFAOYSA-N 343.515 2.678 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)NCc2cc(C)n[nH]2)cc1C 55108019 NNRWQBVWKKUARN-UHFFFAOYSA-N 329.400 2.705 0 50 EFAA CCc1cc(CN(C)Cc2cc3ccc(OC)cc3[nH]c2=O)on1 67954486 CMUQVLVMEUKNAU-UHFFFAOYSA-N 327.384 2.719 0 50 EFAA CC(=O)Nc1ccc(F)c(NC(=O)Cc2cccc(C(=O)O)c2)c1 347393590 WJKAVDDXNXMJNS-UHFFFAOYSA-N 330.315 2.664 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CCN(Cc2ccco2)C1 67603455 HMZYHYXQLWIKQV-HNNXBMFYSA-N 337.423 2.942 0 50 EFAA COCC(=O)NC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 67675915 UTYJYYJHNNYBPW-LLVKDONJSA-N 331.243 2.578 0 50 EFAA O=C(c1cccc(Cl)c1)N(Cc1cccnc1)C[C@H]1CCNC1 328622649 BLFNIOHERNROFT-HNNXBMFYSA-N 329.831 2.987 0 50 EFAA CC(C)[C@H](CNC(=O)NCc1ccc(C(N)=O)o1)Cc1ccccc1 252536334 IELXDJOTGONVJX-HNNXBMFYSA-N 343.427 2.693 0 50 EFAA C[S@@](=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCC1 280868512 ZTEVWEGLABZWOY-XMMPIXPASA-N 348.512 2.952 0 50 EFAA Cn1cc(C(=O)N2CCCc3ccccc3C2)c([C@H]2CCOC2)n1 328629653 PBWCHMYWZUARHH-INIZCTEOSA-N 325.412 2.513 0 50 EFAA COC(=O)Cn1ncc2c(N3CCCC[C@H]4CCCC[C@H]43)ncnc21 230207202 IGLXULSOUULDHQ-UKRRQHHQSA-N 343.431 2.548 0 50 EFAA CN(C(=O)c1ccc2ncccc2c1)c1ccc(S(C)(=O)=O)cc1 123047025 XDUDCGCUBKRVGQ-UHFFFAOYSA-N 340.404 2.915 0 50 EFAA Cc1cc(F)ccc1S(=O)(=O)Nc1cc(-c2cccnc2)on1 253431831 UMNCUXGSDUMOLS-UHFFFAOYSA-N 333.344 2.985 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)nc1)N(Cc1cccnc1)C1CC1 363475063 SDFJDMYFHUDUEN-UHFFFAOYSA-N 348.410 2.537 0 50 EFAA CC[C@H](C)CCC(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 376123279 QLLLZZRSUNZACG-LBPRGKRZSA-N 325.430 2.642 0 50 EFAA O=C(Nc1ccc2c(c1F)CCNC2)c1ccc2c(c1)OCCCO2 261775781 RUZHWSACJLOKNV-UHFFFAOYSA-N 342.370 2.885 0 50 EFAA CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@@H](C)C1 239366971 AHBSJPJNQVYPLN-DZGCQCFKSA-N 348.443 2.902 0 50 EFAA CO[C@@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1(C)C 452849736 PUKHXNFRUMPOFR-GFCCVEGCSA-N 346.349 2.910 0 50 EFAA CCO[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)C12CCC2 333431828 NPSFQRFHXSTYCU-RWMBFGLXSA-N 337.432 2.689 0 50 EFAA O=S(=O)(C[C@H]1CCCC1(F)F)N1CCC[C@@H]1c1cccnc1 333658390 GJRHCBNAQSQDCW-ZIAGYGMSSA-N 330.400 2.984 0 50 EFAA O=S(=O)(C[C@H]1CCCC1(F)F)N1CCC[C@H]1c1cccnc1 333658384 GJRHCBNAQSQDCW-KGLIPLIRSA-N 330.400 2.984 0 50 EFAA Cc1nc(O)cc(C2CCN(Cc3c(C)nc4sccn34)CC2)n1 72143561 AXYGWYSJWTXIDT-UHFFFAOYSA-N 343.456 2.888 0 50 EFAA CCn1cnc2c(N[C@H]3CCO[C@@H]3c3ccnn3C(C)C)ncnc21 284442800 BTDSACPMJYHSEB-WFASDCNBSA-N 341.419 2.566 0 50 EFAA CN1CCN(c2ncc(Cl)cc2F)C[C@H]1c1nc(C2CC2)no1 284636117 UKFNQMFBIOOKHP-LBPRGKRZSA-N 337.786 2.628 0 50 EFAA CC(C)n1cc([C@@]2(O)CCN(Cc3cccc(Cl)c3F)C2)nn1 285496445 MRZJSWXMBIBPSY-MRXNPFEDSA-N 338.814 2.745 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl 41097010 YTIRRCJDRYJJAV-QWRGUYRKSA-N 333.837 2.537 0 50 EFAA Cc1ccc(N2CCN(CN3C(=O)C(=O)c4ccccc43)C[C@H]2C)cc1 20045380 SDLIEXVXYGRLGS-MRXNPFEDSA-N 349.434 2.693 0 50 EFAA c1cc(-c2noc(-c3cn(C4CCOCC4)nn3)n2)c2cc[nH]c2c1 289680437 FMIVRSHONKZQEH-UHFFFAOYSA-N 336.355 2.828 0 50 EFAA CSc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCC=C(C)C 222487091 ZYWAYTGZQIUURU-HUUCEWRRSA-N 336.457 2.674 0 50 EFAA c1cncc(COC2CCN(c3cc([C@H]4CCOC4)ncn3)CC2)c1 426548612 VVKPSOOIHAHCJK-INIZCTEOSA-N 340.427 2.561 0 50 EFAA O=C(c1cnc2ccccc2n1)N1CCCC[C@H]1CCn1cccn1 221420653 NPWLFLPSSYXKJB-HNNXBMFYSA-N 335.411 2.911 0 50 EFAA CCCN1CCC[C@@]2(CCN(C(=O)CCOc3ccccc3)C2)C1=O 91587028 BFIAMAFMHXEQDT-FQEVSTJZSA-N 344.455 2.707 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 178992138 FTRVGBZTWRFSHL-GLQYFDAESA-N 326.362 2.877 0 50 EFAA CN1CCC(N2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 92028949 DCINZKITOYUSHM-HXUWFJFHSA-N 344.455 2.681 0 50 EFAA Cc1c(CNC(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1C 179163288 WMMMGXBFXIHNKP-AWEZNQCLSA-N 334.807 2.705 0 50 EFAA CCCc1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)[nH]n1 91893428 NTQVTCPWTAGOHK-CQSZACIVSA-N 341.333 2.844 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)c1cccc(Cn2cccn2)c1 91966355 WLHJBPYORKUZIT-UHFFFAOYSA-N 349.438 2.853 0 50 EFAA CCn1c(Cn2ccnc2)nnc1C1CCN(CC(C)(C)C)CC1 91460666 JBZPQFKVUVRQBN-UHFFFAOYSA-N 330.480 2.768 0 50 EFAA O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(O)cc1O 179462987 UQFSRVNRCWDERN-UHFFFAOYSA-N 346.452 2.801 0 50 EFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3cnn4cccnc34)c2c1 91551226 CBFTWJVUUOXGNF-UHFFFAOYSA-N 347.422 2.995 0 50 EFAA C[C@H](NC1CCN(c2nc3ccccc3o2)CC1)c1nnc(N)s1 95388194 DFOSLYATMNEVDS-JTQLQIEISA-N 344.444 2.581 0 50 EFAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccccc1C(F)(F)F 247722249 BAYVVEIEEWHMJE-DNDVSRKESA-N 325.286 2.842 0 50 EFAA COCCc1noc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 244718990 LURLLYMJWWONSS-OAHLLOKOSA-N 341.415 2.862 0 50 EFAA O=C(Cc1ccncc1)N1CCC(CN2CCc3ccccc32)CC1 182005560 VLGIIJSPSDZGOI-UHFFFAOYSA-N 335.451 2.925 0 50 EFAA Cc1c(NC(=O)c2cc(C(=O)O)co2)cccc1C(=O)N1CCCC1 183777485 UAODGACGPXPALK-UHFFFAOYSA-N 342.351 2.775 0 50 EFAA Cc1occc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252551400 UEKNHVMKFFWBST-DAYGRLMNSA-N 327.380 2.765 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)n[nH]1 299754478 VPXZLXSEMWRTJR-QAPCUYQASA-N 332.492 2.945 0 50 EFAA biogenic Cc1cncnc1C1CCN(C(=O)CCOc2ccccc2)CC1 299795580 LYQBOUWFHHBPLB-UHFFFAOYSA-N 325.412 2.960 0 50 EFAA CCn1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1=O 823588137 ZSLJAEOWZCAPCV-HNNXBMFYSA-N 342.395 2.678 0 50 EFAA COc1ccc(NC(=O)COCc2ccccc2)cc1C(=O)N(C)C 824699808 FIJBGOJIPALAPJ-UHFFFAOYSA-N 342.395 2.552 0 50 EFAA Cc1ccc(S(=O)(=O)NCc2cncn2CC(C)C)cc1Cl 670461169 FPIYFVVICUAYPS-UHFFFAOYSA-N 341.864 2.979 0 50 EFAA COc1cc(OC)cc(N2CCCN(c3ncccc3F)CC2)c1 268167273 FRRUUHRWAISION-UHFFFAOYSA-N 331.391 2.955 0 50 EFAA O=C(CC1(O)CCCC1)NCC1CCN(Cc2cccs2)CC1 304222594 FISCQNJXBNDWLJ-UHFFFAOYSA-N 336.501 2.772 0 50 EFAA C[C@H]1C[C@H](NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccsc2S1 222131868 KLBREQZRWXEKBV-IMIFBBOLSA-N 340.514 2.899 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCc2ccccc2O1 411133432 ZYYUWBPLODEYIS-QUCCMNQESA-N 336.435 2.771 0 50 EFAA O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@@H](CC(F)(F)F)C1 277459950 PACFPKWHJLNPMD-LBPRGKRZSA-N 338.333 2.746 0 50 EFAA COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1Cl 271538774 CXPKNZKSXZMKLJ-ABAIWWIYSA-N 347.864 2.831 0 50 EFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)nc2)C1 393351875 PFBYQUHHNITTSC-PSASIEDQSA-N 341.255 2.595 0 50 EFAA C[C@H]1C[C@H](CCNC(=O)c2cccc(OCC(F)F)n2)CCO1 273468798 FDDOWLYFBDCSNI-NWDGAFQWSA-N 328.359 2.661 0 50 EFAA COc1ccc(-c2noc(-c3cn(C(C)(C)C)nn3)n2)c(OC)c1 170611001 HJYBKQHNXJIMRS-UHFFFAOYSA-N 329.360 2.767 0 50 EFAA C[C@H]1[C@@H](C)N(C(=O)NCCCSc2ccccc2)CC[S@@]1=O 170633722 QOBHPZWOEWXFOW-QLEMLULZSA-N 340.514 2.720 0 50 EFAA C[C@H]1[C@@H](C)N(C(=O)CSCc2ccc(Cl)cc2)CC[S@@]1=O 170633574 BMBQHPFOXIIQIC-IDFMNXDXSA-N 345.917 2.941 0 50 EFAA Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCOCC2)c1 170602318 WYNVAYHCIGHJNB-GFCCVEGCSA-N 348.262 2.605 0 50 EFAA COCCn1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)n1 189801793 DGNFBUDYTMWWJQ-LJQANCHMSA-N 327.428 2.723 0 50 EFAA CCCNc1ccccc1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 190151932 HOQBGVSFGHJRSM-CYBMUJFWSA-N 336.457 2.662 0 50 EFAA COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)c1F 643890116 WFMKPJMPUQNDKM-CQSZACIVSA-N 344.390 2.668 0 50 EFAA O=C(c1cn(Cc2ccccc2)c2ccccc12)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646658796 VQAVBBZJAFSUHS-RUYXUALKSA-N 346.430 3.000 0 50 EFAA O=C(NC1CC1)[C@H](N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 656130343 UQBSLEHMAKLEML-GBESFXJTSA-N 327.472 2.613 0 50 EFAA CCOc1nc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)co1 773209094 UQOIBYIBESDBCI-AWEZNQCLSA-N 338.367 2.714 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)Cc2n[nH]c3ccccc23)CC1 1506415395 XURNSWWFBGWGLW-UHFFFAOYSA-N 349.438 2.548 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2csc(N)n2)C[C@@H](c2ccccc2)O1 1529120954 VUDAJUUNROWFFQ-CABCVRRESA-N 331.441 2.964 0 50 EFAA CCOc1ccc(C(=O)Nc2c(N3CCCC3)nn(C)c2C)cc1 1529099196 SYKGOIVFOLLLAD-UHFFFAOYSA-N 328.416 2.980 0 50 EFAA CC[C@@]12C[C@H]1CN(C(=O)CCc1nc3ccccc3nc1OC)C2 1772807320 MNSNCTTXMKJNKN-DJJJIMSYSA-N 325.412 2.830 0 50 EFAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 5604013 APJRRHLODDFXAC-UHFFFAOYSA-N 330.409 2.723 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 11838990 VSZLSCQATVYWEU-KRWDZBQOSA-N 328.456 2.789 0 50 EFAA Cc1ccc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cn1 11936828 XECKLCHVOMWJTQ-UHFFFAOYSA-N 338.367 2.624 0 50 EFAA CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13522263 HTAVGLZBGYINMH-UHFFFAOYSA-N 336.347 2.957 0 50 EFAA O=C(Cc1cccnc1)N1CCC(n2cc(C3CCCC3)nn2)CC1 19112842 OZLZEAKNJBBYJC-UHFFFAOYSA-N 339.443 2.737 0 50 EFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1cccc(F)c1 169752409 ZSKXBHBZPLAZPA-UHFFFAOYSA-N 349.365 2.843 0 50 EFAA Cc1ccc2c(C)cc(N3C[C@@H]4CCOC[C@]4(CO)C3)nc2c1C 1857669757 WZITWHIOTNSEDS-OXJNMPFZSA-N 326.440 2.995 0 50 EFAA CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857678002 QEHIOYQTEUIDFS-KSZLIROESA-N 337.485 2.574 0 50 EFAA Cc1nc2ccccc2nc1-c1nccn1[C@@H]1COC2(CCNCC2)C1 1857686571 CGNGGIMPXLIEJZ-HNNXBMFYSA-N 349.438 2.885 0 50 EFAA O=S1(=O)CCC(n2ccnc2-c2cccc3cnccc23)CC1 1857687385 VHMWOBHOUWWHEP-UHFFFAOYSA-N 327.409 2.848 0 50 EFAA CCc1ccccc1NC(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857728378 YYNUJLTXBIWGLO-XYJFISCASA-N 329.444 2.622 0 50 EFAA CCCC[C@@H]1CN(C(=O)CCc2ccc(O)nn2)C[C@H](C(C)C)O1 1875249825 DCDMEOBYSIBIDP-HZPDHXFCSA-N 335.448 2.557 0 50 EFAA CCC[C@H]1COC[C@H]2CN(c3nnc(-c4ccccc4)s3)CCN12 1875251427 JDVRBUAWXAPIQQ-JKSUJKDBSA-N 344.484 2.895 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c[nH]c(C)cc1=O)[C@@H]2C 332500541 CYPXMAREUAFCSN-CHWSQXEVSA-N 326.396 2.840 0 50 EFAA O=C(Cc1c[nH]c2cc(F)ccc12)N1CCc2ccccc2[C@@H]1CO 126996055 NWMVJLCLABSGTB-IBGZPJMESA-N 338.382 2.968 0 50 EFAA CC(C)(C)C[C@@H](O)CC(=O)N1CCN(c2ncccc2Cl)CC1 362662797 JJEPYIOKPVIAMG-ZDUSSCGKSA-N 339.867 2.571 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CC[C@@H](C2CCOCC2)C1 263573984 NDTMZXIMMRWJGQ-MRXNPFEDSA-N 331.412 2.593 0 50 EFAA O=C(O)c1cccc(OCCN2CCCC[C@H]([C@H]3CCOC3)C2)c1 903961601 COFWSYZWFVCXNN-IRXDYDNUSA-N 333.428 2.902 0 50 EFAA Cc1cnc([C@@]2(NC(=O)c3cc(F)c(F)cc3Cl)CCOC2)[nH]1 818675549 CXRDTDWNKNJPON-OAHLLOKOSA-N 341.745 2.695 0 50 EFAA Cc1cc2nccc(NC(=O)NC3([C@@H]4CCCCO4)CCC3)n2n1 932452846 GHNSPAKHRDHUBT-ZDUSSCGKSA-N 329.404 2.651 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)NCCc2ccc[nH]2)n1 935150178 ADKKPJMMCXIPGR-UHFFFAOYSA-N 337.221 2.663 0 50 EFAA Cn1nccc1[C@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)nc1 935793948 HTJFBTKZQWGYHI-QGZVFWFLSA-N 348.410 2.640 0 50 EFAA CN(C(=O)OC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncc[nH]1 857705385 ABZVRSNOXDHLQP-HUUCEWRRSA-N 333.363 2.886 0 50 EFAA CCc1cc(C)cc(CC)c1NC(=O)NC1CCN(CC(=O)O)CC1 864604466 SSUOQJCBEYPSKR-UHFFFAOYSA-N 347.459 2.790 0 50 EFAA O[C@@H]1C[C@@H](c2nc(C3CC3)no2)C[C@@H]1CNc1ccnc(C2CC2)n1 952849107 HOPOPEYKTMEAOH-BFHYXJOUSA-N 341.415 2.581 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccc(C4CC4)c3)C2)n1 952885872 BPNQDIUFNUVEBR-GVDBMIGSSA-N 341.411 2.540 0 50 EFAA O=C(O)[C@H]1CC2(CCOCC2)CN1Cc1cc2ccc(F)cc2[nH]1 1875283300 NBKDLPYBNJQGPK-MRXNPFEDSA-N 332.375 2.763 0 50 EFAA CCOc1ccc(S(=O)(=O)N(C)C(=O)[C@H]2Cc3ccccc32)cc1 1875264867 QMPBNKFARUPUSM-KRWDZBQOSA-N 345.420 2.572 0 50 EFAA Oc1cccc([C@@H]2CCCN(C[C@H]3CCc4nncn4C3)C2)c1F 1875307793 KKRFFCMVDFJDJO-ZIAGYGMSSA-N 330.407 2.565 0 50 EFAA O=C(c1ccccc1-n1cccn1)N1CCC(O)(C2CCC2)CC1 884988545 RWKXBGKSQJMXKW-UHFFFAOYSA-N 325.412 2.640 0 50 EFAA O=C(Cn1nc(C(F)F)cc1C1CC1)N[C@@H]1CCC[C@@H]1n1ccnc1 889008582 AXCMXLWQNUNSRR-OCCSQVGLSA-N 349.385 2.805 0 50 EFAA NCc1ccc(CNC(=O)N2CCC[C@H](OC3CCC3)CC2)c(F)c1 892229433 RCEZZLNNXNULAH-KRWDZBQOSA-N 349.450 2.918 0 50 EFAA CC(C)(O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC1CC1 1775993821 LIWVRHHQTXPNEF-HUUCEWRRSA-N 326.481 2.773 0 50 EFAA COc1cc2nc(-c3ccc(OC(C)=O)cc3)oc(=O)c2cc1OC 51299 ZABFRDJQYDBIMJ-UHFFFAOYSA-N 341.319 2.798 0 50 EFAA C[C@@]1(CCc2ccccc2)OC(=O)N(CCc2cnc[nH]2)[C@]1(C)O 4626198 HEVYMFXTILKURB-ZWKOTPCHSA-N 329.400 2.504 0 50 EFAA COc1cc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(=N)[nH]c1C 2100547349 GZAQUOFIDVXXEO-AWEZNQCLSA-N 327.428 2.871 0 50 EFAA COc1cccc(-c2nc(N3C[C@@H](O)[C@H](F)C3)c3ccccc3n2)c1 2325767441 TZGSOGUFXHSWGG-NVXWUHKLSA-N 339.370 2.824 0 50 EFAA O=C(O)C[C@@H]1CN(Cc2ccc(C3CCC3)cn2)CC2(CCC2)O1 2325791915 IGUAANJNERDBJN-QGZVFWFLSA-N 330.428 2.947 0 50 EFAA Cc1nc2ccc(CN3CCc4c(C(=O)O)nn(C)c4C3)cc2s1 2325792003 RTTJMFAOBWSKGO-UHFFFAOYSA-N 342.424 2.595 0 50 EFAA Nc1ncnc2[nH]c(SCc3ccn(-c4cccc(F)c4)n3)nc12 2325872152 KLEWJUMKZCFYOY-UHFFFAOYSA-N 341.375 2.552 0 50 EFAA O=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1 149215 UZAFETZFNNOCSO-UHFFFAOYSA-N 348.196 2.922 0 50 EFAA Cc1ccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1 302759 AGDUNJLXOOVADF-MRXNPFEDSA-N 349.312 2.891 0 50 EFAA CCC(=O)NC(=S)Nc1ccc(I)cc1C 359683 LNWOCNQSBNZEKY-UHFFFAOYSA-N 348.209 2.823 0 50 EFAA c1ccc2c(c1)OC[C@@H](c1nnc3sc(-c4ccncc4)nn13)O2 1016517 HUSINSMIQGQQLO-ZDUSSCGKSA-N 337.364 2.760 0 50 EFAA Cn1nc(-c2cccs2)cc1C(=O)N[C@H]1CC[C@H](C(=O)O)CC1 2356163597 KIAFNVFGHIZTJJ-XYPYZODXSA-N 333.413 2.522 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 225528244 NCLHGNFIFRJPEW-MEDUHNTESA-N 335.354 2.759 0 50 EFAA Cc1cnc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nc1C 225603630 LCPIHUFNMVUGRY-OAHLLOKOSA-N 331.489 2.817 0 50 EFAA Cc1csc(S(=O)(=O)Cc2csc([C@H]3CCCO3)n2)n1 133632678 RAFPSCGIRBMKHJ-SNVBAGLBSA-N 330.456 2.733 0 50 EFAA O=C(Nc1cc(Cl)ccn1)C1CCN(C(=O)N2CCCC2)CC1 114326577 TUKFMQCWPVNEOE-UHFFFAOYSA-N 336.823 2.601 0 50 EFAA Cn1ncc2c(N3C[C@H](O)C[C@H]3c3ccc(F)c(F)c3)ccnc21 343247221 VQLUMONGDUZJDY-BZNIZROVSA-N 330.338 2.559 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)Cc3cc(C)on3)cc2c1 67818568 SYSDUEUFAYWZEA-UHFFFAOYSA-N 327.384 2.855 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(Cc2nnn[nH]2)cc1 135550117 YNAZNPHNDNJVPU-AWEZNQCLSA-N 349.394 2.685 0 50 EFAA CC(C)Cc1nc(CN(C)C(=O)c2cccc(-n3cccn3)c2)no1 65435675 GMSAPCRIXMAFMV-UHFFFAOYSA-N 339.399 2.726 0 50 EFAA CN(Cc1ccncn1)C1CCN(c2cccc(-n3cccn3)c2)CC1 23192050 ZYVHREFLJNNDKK-UHFFFAOYSA-N 348.454 2.763 0 50 EFAA Cc1cc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c2ccccc2n1 253394803 ASZPSNLZEJVHDV-MISYRCLQSA-N 326.440 2.905 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)nn1)N1CC[C@@H](N2CCCC2)C1 120338285 PNJSLQPSAJHYCH-MRXNPFEDSA-N 337.427 2.846 0 50 EFAA CCOC(=O)N1CCC(NC(=O)c2cnoc2-c2ccccc2)CC1 62633332 RCMIYNVEQNEOCH-UHFFFAOYSA-N 343.383 2.692 0 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O=C(CCc1nccs1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 356553526 CPJSXSIRUJPJHM-SFHVURJKSA-N 348.443 2.669 0 50 EFAA O=C(COC[C@@H]1CCCO1)N1CCc2[nH]c3c(Cl)cccc3c2C1 77287276 MBQOAOVNSWBZRJ-LBPRGKRZSA-N 348.830 2.902 0 50 EFAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263068713 RDNYZEOBIGLYOI-CQSZACIVSA-N 344.264 2.786 0 50 EFAA O=C(OC[C@H]1CCCCN1Cc1nc(C2CC2)no1)N1CCCC1 375802451 UCPJFINVVDMUKM-CQSZACIVSA-N 334.420 2.534 0 50 EFAA Cc1csc(=O)n1CCC(=O)Nc1ccc2nc(S)oc2c1 158404470 IITBJZUNNPRZQY-UHFFFAOYSA-N 335.410 2.677 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)c1ccccc1S(C)(=O)=O 240707703 HPXUBAICQFDJOR-CYBMUJFWSA-N 345.420 2.513 0 50 EFAA COc1cccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)c1 282646543 XMWHPTIVMBHWQZ-QFBILLFUSA-N 341.407 2.581 0 50 EFAA COc1cccc(CN2CCC[C@@H](Nc3nccc(OC)n3)C2)c1 72429613 LCSFYIVXAAWGGH-OAHLLOKOSA-N 328.416 2.570 0 50 EFAA Cc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc(C)c1O 39371585 CKDXQVALOJRKPH-LJQANCHMSA-N 332.488 2.820 0 50 EFAA Cn1ccnc1[C@H]1CNCCN1Cc1cccc(-c2cccnc2)c1 262101954 VRFMDCYNHRBZJY-LJQANCHMSA-N 333.439 2.629 0 50 EFAA O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(-c2cc[nH]n2)s1 242048081 VSNODCCGMFIIFA-XJKSGUPXSA-N 325.393 2.526 0 50 EFAA Cc1cnccc1CN(C)C(=O)COCc1nc2cc(F)ccc2[nH]1 219872511 DLHOZLDFAWCCRD-UHFFFAOYSA-N 342.374 2.581 0 50 EFAA O=C(O)c1cc(C(=O)N2CCc3ccccc32)n(-c2ccccc2)n1 237979731 ICFVARQZNMVQHS-UHFFFAOYSA-N 333.347 2.773 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CCO1 262707525 DQCCELCWWMPHIE-AWEZNQCLSA-N 349.452 2.794 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CCN(CC(F)(F)F)CC1 187711502 QPAGBKXGPRKHCN-LLVKDONJSA-N 345.369 2.566 0 50 EFAA CCc1ccc2occ(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)c2c1 377323377 MJCRDNLGCCSDCD-OGHNNQOOSA-N 326.396 2.721 0 50 EFAA NC(=O)C[C@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 377527387 WXPUAMNUQANCBO-SNVBAGLBSA-N 344.242 2.519 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCCC(C)C)on1 450897071 QBNMADNWUURVDM-GJZGRUSLSA-N 325.428 2.838 0 50 EFAA COc1ccc(CN2CCc3cccc(Br)c3C2)nn1 283104657 LYPCCZWLDAKARF-UHFFFAOYSA-N 334.217 2.806 0 50 EFAA CO[C@@H]1C[C@H](NCc2ccncc2OC[C@H]2CCOC2)C12CCC2 453227914 OGCBMJPXVYVGJC-JCGIZDLHSA-N 332.444 2.544 0 50 EFAA COC(=O)Nc1cccc(OS(=O)(=O)C[C@@H](CC(C)C)OC)c1 496639543 JXIIHHJPFIRPHS-CQSZACIVSA-N 345.417 2.635 0 50 EFAA O=C(c1cccnn1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82139123 JSIGGFDZSRIJFE-QGZVFWFLSA-N 347.422 2.741 0 50 EFAA CC(=O)N1CC(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)C1 190899855 FICQQOFLOHXZQR-UHFFFAOYSA-N 334.379 2.647 0 50 EFAA O=C(O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 49467074 NOMFZOJMJFQLRP-CZUORRHYSA-N 329.396 2.802 0 50 EFAA CO[C@H](C)c1noc(CN2CCC(N(C)c3ccccc3)CC2)n1 177663094 KDVVPDOKXPHDKQ-CQSZACIVSA-N 330.432 2.878 0 50 EFAA Cn1cnnc1CC1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 82166929 JAALQBHAQYCCCL-UHFFFAOYSA-N 348.834 2.652 0 50 EFAA CCCc1cc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)no1 82120063 FUNATSOKKIMANA-MRXNPFEDSA-N 339.399 2.780 0 50 EFAA Cc1cc(C(=O)N2CCc3nc(N)sc3C2)c2ccc(F)cc2n1 82137825 KNNJDFQEFPFRQG-UHFFFAOYSA-N 342.399 2.920 0 50 EFAA O=C1NCC[C@H]1Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 179090063 ONYOVSAEDPKDTR-SECBINFHSA-N 329.212 2.759 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCN(CC(=O)NC4CC4)C3)C2)c1 426477786 VQESLONAVAQRPG-NRFANRHFSA-N 341.499 2.562 0 50 EFAA COc1cccc(-c2cc(C(=O)O)n3ncc(Br)c3n2)c1 20605198 JIMWGBLCHYWEAS-UHFFFAOYSA-N 348.156 2.866 0 50 EFAA COc1ccc([C@@H]2CN(c3cnccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95376414 VNOUSJGQGNVSHS-DFQSSKMNSA-N 336.439 2.552 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 239203336 SDZKOIHKYYQFIP-HBJVGIJOSA-N 343.766 2.740 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)NCc1cccc(F)c1)C2 95354563 KXHDKJNJVMWGGR-AWEZNQCLSA-N 344.386 2.885 0 50 EFAA O=C(N[C@H](c1ccco1)C(F)(F)F)c1cccc(-n2cnnc2)c1 91416572 NYWIHAWLYWLBCM-CYBMUJFWSA-N 336.273 2.894 0 50 EFAA COCCc1nc(CNC(=O)Nc2ccc3oc(C)cc3c2)no1 96138781 WQCXBSFMACNESB-UHFFFAOYSA-N 330.344 2.635 0 50 EFAA Cc1nc(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)sc1C 91288819 OGBDTGLEJZRHJH-CQSZACIVSA-N 349.500 2.600 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccc(F)cc1)N(C)C 95379791 HDEFHDLUMPOKGO-QGZVFWFLSA-N 345.418 2.765 0 50 EFAA Cc1ccc2ncnc(N[C@H]3CCCN(c4cccnc4)C3=O)c2c1 182239344 BNWXYQLCRRIHAV-KRWDZBQOSA-N 333.395 2.941 0 50 EFAA COCc1ccsc1C(=O)N1CCC(N2CCCCC2=O)CC1 182465508 GRGZEJKZIRJBHR-UHFFFAOYSA-N 336.457 2.512 0 50 EFAA CNC(=O)CC1CCN(C(=O)c2scnc2C2CCCC2)CC1 185023485 AALFMEVDMOKIMF-UHFFFAOYSA-N 335.473 2.789 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2c(c1)OCCCO2 298462709 YSZSZWGBTIWCOZ-UHFFFAOYSA-N 341.363 2.818 0 50 EFAA O=C1CC[C@@H](CCNCc2ccccn2)N1Cc1ccc(F)cc1 299764735 KGMQTSRFEHEWNB-SFHVURJKSA-N 327.403 2.892 0 50 EFAA COCCc1nc(CCn2ccc(C)n2)n(-c2ccc(C)cc2C)n1 670440146 MEKVDVTXBFTBMJ-UHFFFAOYSA-N 339.443 2.821 0 50 EFAA O=C(O)c1cc(CN2CC(OCc3cccc4ccccc34)C2)[nH]n1 1332438450 RBNJONUHNQPIAE-UHFFFAOYSA-N 337.379 2.662 0 50 EFAA COc1cc(Cc2ncnn2Cc2ccccc2)cc(OC)c1OC 670455407 QZBSLRMZNKQRMY-UHFFFAOYSA-N 339.395 2.943 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1 685945005 NUTOSJYPYINNOM-NSHDSACASA-N 329.404 2.727 0 50 EFAA Cn1cccc1[C@@H]1COCCN1C(=O)c1ccnc(-c2ccco2)c1 1335273940 UGWYYEAOLGRYDM-KRWDZBQOSA-N 337.379 2.894 0 50 EFAA CC1CCC([C@H](N)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 958527873 IBYMSXZKVQMSJW-GULCKSEBSA-N 326.481 2.902 0 50 EFAA O=C(c1cccc(O)c1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565528965 UPUVNPUJQPRKSY-AEFFLSMTSA-N 337.423 2.524 0 50 EFAA Cn1cccc1[C@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1 163865233 GJWGPIMMVBKXLG-CQSZACIVSA-N 343.408 2.669 0 50 EFAA CCC1(c2ccccc2)CN(C(=O)c2cnc(C3OCCO3)s2)C1 408519994 HCXNVTBKDPSNJW-UHFFFAOYSA-N 344.436 2.992 0 50 EFAA CC[C@@H](NCc1cc(O)ccc1Br)[C@@H](O)C(F)(F)F 270858924 CIBRENJAWCOLMY-GHMZBOCLSA-N 342.155 2.946 0 50 EFAA Cc1nc(C(F)(F)F)c(CN2CCC(n3cncn3)CC2)s1 170078925 VYRFGOVEASMWDO-UHFFFAOYSA-N 331.367 2.899 0 50 EFAA COc1cc(CN2CC[C@H](Nc3nnc(C4CC4)o3)C2)cc(OC)c1 278348629 JNMNEKOBMCXBSI-AWEZNQCLSA-N 344.415 2.651 0 50 EFAA COc1ccc(CN2CCCN(Cc3c(Cl)cnn3C)CC2)cc1 189519566 AXPUKUIEZQWYBE-UHFFFAOYSA-N 348.878 2.790 0 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CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 110622616 GWDYPDZIHLKLNA-BZUAXINKSA-N 330.428 2.658 0 50 EFAA CN1CC[C@@H]2CN(c3nc(-c4ccc(F)cc4)cs3)C[C@@H]2C1=O 1772819438 UJUSRAWVIFVBJO-OCCSQVGLSA-N 331.416 2.864 0 50 EFAA Cc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1 5617965 MNMSXNHYKUJXQL-XNTDXEJSSA-N 337.379 2.813 0 50 EFAA CSCCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 11815752 FIBGDRZNYFKYOF-CQSZACIVSA-N 328.441 2.785 0 50 EFAA Cc1ncoc1C(=O)NCc1cccnc1N1CCc2ccccc2C1 11818811 JRHKMTAEUGZYJE-UHFFFAOYSA-N 348.406 2.871 0 50 EFAA Cc1nc(S[C@@H](C)C(=O)N2CCOCC2)cc(-c2ccccc2)n1 12000986 VXVQUULNSDPIJB-ZDUSSCGKSA-N 343.452 2.791 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 12455562 ZZUFWTHXERZRAX-QGZVFWFLSA-N 327.403 2.924 0 50 EFAA COCCNC(=O)CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 12575975 XERGASWVPAYESP-UHFFFAOYSA-N 343.471 2.923 0 50 EFAA COC(=O)[C@H](CCSC)Nc1nncc(-c2ccccc2C)n1 12744259 KZTWIMSHHGBBIM-ZDUSSCGKSA-N 332.429 2.554 0 50 EFAA CCc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 13744952 VUWYQQDTODIEKC-MRXNPFEDSA-N 339.439 2.760 0 50 EFAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN(C)C 16604011 HNUIWMPETJRSFH-UHFFFAOYSA-N 325.771 2.734 0 50 EFAA Cc1cccc(Nc2nc(N)nc(CSc3nccc(C)n3)n2)c1 18129922 AYJVDGUGUZMEES-UHFFFAOYSA-N 339.428 2.897 0 50 EFAA O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)N[C@@H]1CCCC[C@H]1CO 225257455 IWVOOFYBSRCFEB-WNRNVDISSA-N 332.444 2.615 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)o1 328610724 IYSIZSUJGHMBGR-INIZCTEOSA-N 340.383 2.690 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 332775763 KQBWFUIGSFVEGY-LTAJLKHCSA-N 346.475 2.857 0 50 EFAA O=C(NC[C@@H]1CNCCCO1)N1CCC[C@@H]1c1ccccc1Cl 333895299 YYNZZARCLROMSJ-XJKSGUPXSA-N 337.851 2.565 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)N1CCC(Nc2cccnn2)CC1 241693909 QISFZFLPKMRAMM-UHFFFAOYSA-N 349.797 2.568 0 50 EFAA CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1ccccn1 132698071 JAIAYLRHRUMNDE-UHFFFAOYSA-N 340.832 2.771 0 50 EFAA CCCc1csc(NC(=O)c2cc(N3CCOCC3)ccn2)n1 133549991 NVYRWWLSLYARPF-UHFFFAOYSA-N 332.429 2.580 0 50 EFAA Cn1cc([C@H]2CCCN2c2ccc(C(=O)Nc3ccccc3)nn2)cn1 134147250 AWVZFWJBHXBQCW-QGZVFWFLSA-N 348.410 2.804 0 50 EFAA CN(Cc1ncon1)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 253429546 DYBXJEJSNJOBLE-YGRLFVJLSA-N 339.754 2.598 0 50 EFAA O[C@H](COc1ccc2cc[nH]c2c1)CN1CCC2(CCOCC2)CC1 930374334 SOQIJMKIUXXIGY-KRWDZBQOSA-N 344.455 2.800 0 50 EFAA Cc1ccc(NC(=O)N2CCC(c3ccn(C)n3)CC2)c(N(C)C)n1 930503533 DAUSVYKUXOFXSK-UHFFFAOYSA-N 342.447 2.601 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1NCc1ncc(-c2ccc(OC)cc2)o1 933288604 HHPDOHFMTLROAG-QGZVFWFLSA-N 343.427 2.745 0 50 EFAA C[C@@H](c1ccc(C(=O)O)o1)N1CCn2ncc(Br)c2C1 851708920 AXETXGVJMLHPOC-QMMMGPOBSA-N 340.177 2.514 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccsc1C(=O)O 1875292045 UTRIEMKGCOIPHY-GFCCVEGCSA-N 330.409 2.703 0 50 EFAA CN(CCNc1ccccn1)C(=O)[C@@H]1COc2ccc(Cl)cc21 1875296374 SUWZFEYBFVKSNQ-CQSZACIVSA-N 331.803 2.782 0 50 EFAA O=C(/C=C/C(=O)NC1CC1)NCCCCc1ccc(Cl)s1 1875274925 ZWDCFTWOGJOAEW-CMDGGOBGSA-N 326.849 2.675 0 50 EFAA CCn1ncc2cc(C(=O)N3CC[C@H](C(F)(F)F)C3)c(C)nc21 888019693 XDKNWKIKRYLNBS-NSHDSACASA-N 326.322 2.784 0 50 EFAA CCc1ccc(CCC(=O)Nc2cn(C)nc2-c2ccnn2C)cc1 1775991932 PATHLVNIQZQTBB-UHFFFAOYSA-N 337.427 2.954 0 50 EFAA COC(=O)[C@H]1CCC2(CCN(C(=O)OCc3ccccc3)CC2)C1=O 1565504963 FCLLGTNWVWYOCR-HNNXBMFYSA-N 345.395 2.558 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)NCCOc1cccc2ccc(C)nc12 2100548345 YCLIKSZBFWDHSK-MRXNPFEDSA-N 347.484 2.507 0 50 EFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@H]([C@H](O)c2ccccc2)C1 2325782948 PDLWYHGUDZPNAU-FXAWDEMLSA-N 346.471 2.511 0 50 EFAA Cc1ccc(-n2ccc(CN3CCN(c4ccncc4)CC3)n2)cc1 2325797385 MOSCYEDEYRPBCK-UHFFFAOYSA-N 333.439 2.898 0 50 EFAA CC(C)Cc1oncc1C(=O)N1CCC[C@H](c2ocnc2C(=O)O)C1 2325821361 IULAUWDJWUWXJC-NSHDSACASA-N 347.371 2.579 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)Cc3cccc(C(N)=O)c3)cc2)c1C 2325840664 KOKKCSAVVBXLSR-UHFFFAOYSA-N 348.406 2.769 0 50 EFAA CCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 390230 UZFRHJGIDQQZLB-NSHDSACASA-N 340.383 2.522 0 50 EFAA CCN(CC)C(=O)CSc1nnnn1-c1cccc2ccccc12 615871 WFGMSJLIBHBRRU-UHFFFAOYSA-N 341.440 2.776 0 50 EFAA C[C@@]1(C(=O)Nc2nccs2)CC1(Br)Br 2315874 CGGHLWWJPVHAPW-ZETCQYMHSA-N 340.040 2.978 0 50 EFAA Cc1ccc(C(=O)N2CCCN3CCC[C@H]3C2)cc1NC(=O)C1CC1 55393505 BNIHGYJPLZTFDF-KRWDZBQOSA-N 341.455 2.654 0 50 EFAA O=c1[nH]c2ccccc2cc1CN1CC[C@@H](CNc2ccccn2)C1 111212812 KBVAXLBSQZASQS-HNNXBMFYSA-N 334.423 2.857 0 50 EFAA COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 55060424 VXWGUMSGUAIZRA-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA Cc1ccc([C@H]2COCCN2C[C@@H](O)COc2ccc(F)cc2)o1 247193988 SOXYEWMTDFMJQQ-NVXWUHKLSA-N 335.375 2.540 0 50 EFAA Cc1ccc(CN(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)o1 20996866 XFDNBBDBISEASS-UHFFFAOYSA-N 327.340 2.999 0 50 EFAA C[C@H](C(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCCC1 173337891 VFJSIOKDZJLMMI-OAHLLOKOSA-N 328.460 2.796 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348263484 KRIWKBYTBLQDBB-RBUKOAKNSA-N 343.398 2.719 0 50 EFAA COCc1cc(NCc2cccnc2-n2cnc3ccccc32)ncn1 67921596 MUBRWSPVLLFKBH-UHFFFAOYSA-N 346.394 2.969 0 50 EFAA CCN1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 20233504 XMLAJGLNEGGCFV-FQEVSTJZSA-N 340.467 2.731 0 50 EFAA CCn1nc(C)c(CCNC(=O)[C@H](c2cccc(C)c2)N(C)C)c1C 65420431 FWILBACIGNHMEW-IBGZPJMESA-N 342.487 2.790 0 50 EFAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)Cc1cccnc1 67605841 VLDNPUSKLGVUOH-UHFFFAOYSA-N 326.375 2.731 0 50 EFAA CC(C)c1n[nH]c2c1CN(c1nc(CCN)nc3ccccc13)CC2 67804935 PNWHXXDQVDTMDJ-UHFFFAOYSA-N 336.443 2.540 0 50 EFAA CCc1ccc([C@@H]2CC(=O)Nc3cc(NS(C)(=O)=O)ccc32)o1 65429437 QUKSZRWWQSMEEJ-CYBMUJFWSA-N 334.397 2.688 0 50 EFAA CCN(C)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 230129475 RBMMUZZOJQFZEZ-OTWHNJEPSA-N 345.487 2.895 0 50 EFAA NC(=O)c1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67677070 YZUZEXJAZGOROQ-INIZCTEOSA-N 344.798 2.653 0 50 EFAA COc1cc(C)c(-c2nc(CN3CCN(C)C(=O)C3)c(C)o2)cc1C 67431898 MWHXNGXQJMKZIH-UHFFFAOYSA-N 343.427 2.549 0 50 EFAA C[C@@H]1C[C@H](CCNC(=O)c2ncccc2Br)CCO1 281481538 GAOLSHLJAYGJKD-GHMZBOCLSA-N 327.222 2.779 0 50 EFAA CNC(=O)C1(NC(=O)c2[nH]nc(-c3ccccc3)c2C)CCCCC1 215216818 ODFRGPUMOZDGEN-UHFFFAOYSA-N 340.427 2.564 0 50 EFAA CC(C)(C)c1nc(CN2CCC3(CC2)C(=O)Nc2ccccc23)no1 72158579 XDYWENJFTTVRJP-UHFFFAOYSA-N 340.427 2.853 0 50 EFAA Cc1ccc(C2(C(=O)N3CCC[C@]4(CC3)CN(C)C(=O)O4)CC2)cc1 72157872 HVCUMLFVSDDJPT-IBGZPJMESA-N 342.439 2.860 0 50 EFAA Cc1nc(C)n(C[C@H]2CN([C@H]3CCCc4ccccc43)CCO2)n1 257365695 GZYTYSHDGUADBS-MJGOQNOKSA-N 326.444 2.673 0 50 EFAA CC(C)Cn1ccnc1NC(=O)c1nc(N2CCCC2)ncc1Cl 149954950 ZPTTYOYNXFMALQ-UHFFFAOYSA-N 348.838 2.835 0 50 EFAA CC1(C)C[C@]1(C(=O)NCC1=CSC2=NCCN12)c1ccccc1F 215247843 PZFFZPPYARPZLE-GOSISDBHSA-N 345.443 2.869 0 50 EFAA CSCC[C@H](O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 358903728 VNUSFRRPECVPIY-RDBSUJKOSA-N 347.839 2.539 0 50 EFAA O=C(NOCC(F)(F)F)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 363111962 TUBZEUSBQUQEDU-NSHDSACASA-N 345.321 2.541 0 50 EFAA CO[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)CC1 364087831 HKNLHFDFTNAHQZ-CYBMUJFWSA-N 335.354 2.792 0 50 EFAA Cc1ccc([C@H](NC(=O)C(=O)c2cccn2C)c2ccncc2)cc1 71714803 NOUDLIVEMDWWOY-SFHVURJKSA-N 333.391 2.817 0 50 EFAA COC(=O)CCn1cc(CN2CC[C@H](c3ccccc3F)C2)cn1 72475484 ABBGUXXFAXESME-HNNXBMFYSA-N 331.391 2.575 0 50 EFAA CC(=O)c1cc(C(=O)N2CCN(Cc3ncccc3C)CC2)cs1 72474573 IRDLLYXERWQWLJ-UHFFFAOYSA-N 343.452 2.612 0 50 EFAA Cc1ccc(O)c(CN2CCC[C@H](Cc3nnc4ccccn34)C2)n1 368676252 NECJTIZUIWRNQA-OAHLLOKOSA-N 337.427 2.593 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2ccc(F)cc2)c1 282354427 FJUGIYHCLXUMEE-SJLPKXTDSA-N 329.371 2.711 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cncc(-c2ccc(OC)cc2)c1 237272346 FDDRFRKQFDMNDF-QGZVFWFLSA-N 325.412 2.581 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CC[C@H](N)C[C@@H]3C)c2)cc1 237448045 OWRMVNUZXYHBLH-GUYCJALGSA-N 325.412 2.709 0 50 EFAA Cc1c[nH]c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 72432653 OPSLBHXMVNKMCH-UHFFFAOYSA-N 326.425 2.895 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(OCc2ccccn2)cc1 237522562 CUFUWECKHKQCCP-HOCLYGCPSA-N 325.412 2.612 0 50 EFAA CN1C[C@]2(CCCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O 72123931 SAVCTSKEMOAYGQ-QGZVFWFLSA-N 346.456 2.945 0 50 EFAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@@H](O)[C@@H](CO)C1 334038185 NTBFKEFZWGPNKU-OHDZGACESA-N 337.504 2.821 0 50 EFAA Cc1cc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)O)n[nH]1 237866963 KCHIRHRPXVHEBO-MRXNPFEDSA-N 337.379 2.545 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC23CCNCC3)ccc1OC1CCOCC1 237812451 LLSDKMYFFYIDCL-KRWDZBQOSA-N 344.455 2.881 0 50 EFAA C[C@H]1C[C@H](C(=O)O)CN(Cc2cc3c(cc2OC(F)F)OCO3)C1 263072632 PTMPUYBMIRKHKV-ONGXEEELSA-N 343.326 2.559 0 50 EFAA Cc1ccc(Cl)cc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 284834084 PBDSAKYYTKBQRR-QGZVFWFLSA-N 348.834 2.555 0 50 EFAA c1ccc([C@@H]2CN(c3cncc(-n4cccn4)n3)[C@H]3CCOC[C@H]32)cc1 286436490 SGEXAIFTFFFILR-BZSNNMDCSA-N 347.422 2.671 0 50 EFAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1csc(Cc2ccccc2)n1 82091546 WOUFFFLPUAJPAT-AWEZNQCLSA-N 338.436 2.744 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(c2ncccc2Cl)C1 95507101 ZQHMWPZZTGLGTO-AWEZNQCLSA-N 333.867 2.877 0 50 EFAA CCNc1ncc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 91965691 QPMMPIFOICHGCS-KRWDZBQOSA-N 339.443 2.931 0 50 EFAA COc1cc(C)c(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1C 97784986 IMFLOPADXLCSCJ-HNNXBMFYSA-N 325.474 2.569 0 50 EFAA O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 91461112 MEJSZOCWBIAIEM-INIZCTEOSA-N 346.393 2.970 0 50 EFAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1cc(-c2cccn2C)n[nH]1 91526349 HUWDEZSXAAMXEY-AWEZNQCLSA-N 337.427 2.822 0 50 EFAA CC(C)N1CCC(CC(=O)N[C@@H](C(=O)O)c2ccc(F)cc2)CC1 95504887 PSZSRBDMQFWECB-QGZVFWFLSA-N 336.407 2.578 0 50 EFAA O=C(Cc1ccccc1Cl)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244773930 PIWLLNSGKHBJLB-HBUWYVDXSA-N 330.815 2.906 0 50 EFAA Br[C@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@H]([C@H]1[C@@H]([C@@H]63)[C@H]7%10)[C@H]1[C@H]9[C@H]([C@@H]58)[C@H]4[C@H]12 257355326 AGWSVDQUESSJJJ-RUVOXQSJSA-N 339.276 2.978 0 50 EFAA CCN(C)C[C@H](C)c1nc(Cc2cccc(Cl)c2)nn1CCO 828776648 DJLRSPDBNVABLQ-ZDUSSCGKSA-N 336.867 2.570 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)Nc1ccc3nccn3c1)C2 1333394085 XHQCMXNDTDOPNU-UHFFFAOYSA-N 338.415 2.876 0 50 EFAA O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@H](c2ccccc2)CC1 1348138844 HZEOGOSXCBCBFA-SFHVURJKSA-N 348.406 2.871 0 50 EFAA CN(CC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1)[C@@H]1CCC[C@H]1O 1434168303 GGFFMCZZLJJHHJ-RKVPGOIHSA-N 332.444 2.569 0 50 EFAA CNC(=O)c1ccc(NC(=O)[C@H](CCSC)n2cccc2)cc1 888103737 WLEGGFCKFHEKBB-HNNXBMFYSA-N 331.441 2.781 0 50 EFAA CC(C)c1csc(CNC[C@H](c2ccccn2)N2CCOCC2)n1 952967672 LQEQIRSDOUWENC-QGZVFWFLSA-N 346.500 2.825 0 50 EFAA c1ccc(O[C@H]2CCOC[C@@H]2Nc2ncnc3sccc23)nc1 1565513047 ABNCPAWZTNKBTA-STQMWFEESA-N 328.397 2.735 0 50 EFAA CC1(C)CC(=O)c2sc(NC(=O)C3=C[S@](=O)CCC3)nc2C1 1464366652 DKNISUJESWAPDV-JOCHJYFZSA-N 338.454 2.663 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2ccc3cc[nH]c3c2)o1 275525448 YJJWJQVZFZEOBS-OAHLLOKOSA-N 340.383 2.888 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2ccc(N)c(OC(F)(F)F)c2)CCO1 408524068 XIZSPBMMPCZGSV-JTQLQIEISA-N 332.322 2.855 0 50 EFAA CCOC(=O)c1nc(C(=O)c2ccccc2)sc1C(=O)OCC 408524227 RHFPOJPFRUKVMY-UHFFFAOYSA-N 333.365 2.728 0 50 EFAA C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](c2ncc[nH]2)C1 221671057 PIRARGJXATUNJE-CRAIPNDOSA-N 338.455 2.563 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1 278368771 IBUHFNDSIOJZPA-JTQLQIEISA-N 339.321 2.547 0 50 EFAA O=C(NC[C@H]1CCCS1(=O)=O)N1CCCC2(CCCCC2)CC1 170604943 AGBDSIYQAMFKMA-OAHLLOKOSA-N 342.505 2.710 0 50 EFAA Cc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1N 170677699 GJOYUVXTAFDKPQ-UHFFFAOYSA-N 343.452 2.627 0 50 EFAA COc1cc2nc(C)c(NCc3cccnc3OC)nc2cc1OC 170601984 HSOMXHKGLGMRDA-UHFFFAOYSA-N 340.383 2.971 0 50 EFAA COc1ccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)cn1 170653061 ZUZDULXKJAFBFL-UHFFFAOYSA-N 330.294 2.806 0 50 EFAA Cc1ccc(C)c([C@H]2CN(C(=O)CC3OCCCO3)[C@H](C)CO2)c1 189133835 QXFIBCGLBAKMQJ-NVXWUHKLSA-N 333.428 2.745 0 50 EFAA O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1cccc(F)c1 782060146 ZROUHEBOKNUYIW-UHFFFAOYSA-N 348.280 2.539 0 50 EFAA Oc1cc([C@@H]2CCCN(Cc3cc(-c4cccnc4)no3)C2)ncn1 1506406964 HUZXBEBAECJMLU-CQSZACIVSA-N 337.383 2.612 0 50 EFAA CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@]1(C)CCN(C)C1 1506427611 RGTRAPUYLKNSOI-HXUWFJFHSA-N 345.487 2.768 0 50 EFAA Cc1cccc(C)c1OC1CN(c2cccc(C(=O)N(C)C)n2)C1 1529181201 KSXHMJMURASGIG-UHFFFAOYSA-N 325.412 2.668 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)c1ncccc1C(=O)N1CCCC1 1529145793 MVINHZJPEUGMRX-INIZCTEOSA-N 337.423 2.758 0 50 EFAA CN(C)CCN(Cc1ccc(OC(F)(F)F)cc1)Cc1cnc[nH]1 1704335821 HISSFPNHUAMOIP-UHFFFAOYSA-N 342.365 2.872 0 50 EFAA Cc1ncsc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 11661452 FKUWRFZAXVNHNA-CQSZACIVSA-N 333.432 2.985 0 50 EFAA COCCCNc1ncnc2sc(C(=O)NC(C)(C)C)c(C)c12 12028963 JXJKFJNOQZZNGC-UHFFFAOYSA-N 336.461 2.976 0 50 EFAA Cc1ccccc1-n1nnnc1SCCC(=O)NC1CCCCC1 12274100 PQFARYLYEDTLLA-UHFFFAOYSA-N 345.472 2.902 0 50 EFAA Cc1c([C@H](C)NCc2cnc(N)nc2)cnn1-c1ccc(F)cc1F 12297979 GXFGKSJYSBUYDU-JTQLQIEISA-N 344.369 2.682 0 50 EFAA Cc1cccc(CN[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 12318717 OUYZTHRHZRFNTC-SFHVURJKSA-N 343.858 2.977 0 50 EFAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CCn2cccn2)c1C 12430405 AHHFXUUWAFIJHW-HNNXBMFYSA-N 337.427 2.953 0 50 EFAA COc1cc(NC(=S)NC[C@H]2CCCO2)c(OC)cc1Cl 13497416 BJXITOUVJXFZEW-SECBINFHSA-N 330.837 2.823 0 50 EFAA CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccn2)CC1 13745521 JDIKITFZTLCZSX-SFHVURJKSA-N 339.439 2.896 0 50 EFAA CC1(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 14967913 QYICZFNRLXHSKL-GFCCVEGCSA-N 340.345 2.723 0 50 EFAA C[C@@H]1CCCN(CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 19837665 ZWBSTPVRUBWSGO-QGZVFWFLSA-N 340.471 2.953 0 50 EFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCC2 220350010 GFCSZEWGASSUAZ-HSALFYBXSA-N 336.435 2.682 0 50 EFAA CCn1nc(C)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857668007 YEJYTISHBQLHOB-CYBMUJFWSA-N 326.404 2.602 0 50 EFAA CCc1ccc(-c2nccn2C[C@H]2CC3(CCNCC3)CO2)nc1 1857732097 BPPVTJYXLSYXPQ-MRXNPFEDSA-N 326.444 2.666 0 50 EFAA C[C@@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1C(F)(F)F 237335431 CYNBJYDXFAJUPY-GWCFXTLKSA-N 345.317 2.511 0 50 EFAA CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(C)c(O)cc23)CC1 2118973 RELBBFFEKDIJBQ-UHFFFAOYSA-N 345.395 2.582 0 50 EFAA biogenic Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3c(C)n[nH]c3C)C2=O)c1 126616055 JEBVEOWEINLQNE-OAHLLOKOSA-N 326.400 2.635 0 50 EFAA O=C(O)c1cccnc1CN1CCN(c2ccc(F)cc2Cl)CC1 652437940 LUHAIXLPQGEKBT-UHFFFAOYSA-N 349.793 2.895 0 50 EFAA CS(=O)(=O)c1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 341908102 COMGVPCPJSJERS-IBGZPJMESA-N 343.448 2.722 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 132227771 SHHFFWPDJRRXMT-BFUOFWGJSA-N 327.428 2.904 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 137220043 QSSIVPATMDKBGG-QFBILLFUSA-N 338.407 2.815 0 50 EFAA CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)CCO1 353785664 JDHYYRWWWGNYQB-IBRHDDFTSA-N 338.473 2.551 0 50 EFAA CC[C@@H](C)n1nc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)cc1C 679203535 PHSDTPGUIPUAGS-CYBMUJFWSA-N 346.475 2.636 0 50 EFAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 20230992 KKXWTUYDLQVOOO-HXUWFJFHSA-N 338.451 2.936 0 50 EFAA in-vitro Cc1cc(CC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)n[nH]1 154126592 JZFXTXDXCDVNPC-LRDDRELGSA-N 333.819 2.903 0 50 EFAA CCn1cc(Cl)cc1C(=O)N(C[C@@H]1CCCO1)c1ccnnc1 906082778 ONKWQQOTUGBHNQ-AWEZNQCLSA-N 334.807 2.777 0 50 EFAA Cc1cc(F)cc2c1N(C(=O)c1ccc(Cn3ccnn3)o1)CCC2 933149132 DJCNEBLJCNRQOQ-UHFFFAOYSA-N 340.358 2.960 0 50 EFAA C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1ccc(-n2ccnc2)cc1 1295515166 YQKVIQARDIHMEA-OXJNMPFZSA-N 349.434 2.696 0 50 EFAA COc1ncccc1CN1c2ccccc2N(C2CCC2)S1(=O)=O 871793661 ANLTWOQZVKCZGD-UHFFFAOYSA-N 345.424 2.714 0 50 EFAA N[C@@H](CC(=O)N[C@@H](CCO)C1CCCCCC1)Cc1ccccc1 1875277869 LAEREMPFFUVCMH-MOPGFXCFSA-N 332.488 2.784 0 50 EFAA C[C@@H](N=c1cc[nH]c(-c2nccs2)n1)c1cc2n(n1)CCCC2 1875287139 WFVFEPJKAXNHPE-LLVKDONJSA-N 326.429 2.728 0 50 EFAA c1cc(-n2nccc2CNC[C@@H]2CCCC23CCOCC3)ccn1 1875284351 WIDNUMCWSFGRCX-INIZCTEOSA-N 326.444 2.954 0 50 EFAA C[C@@H](CC(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1)N1CCCC1=O 1875299403 JQFNPEPAZYFPEF-UONOGXRCSA-N 348.418 2.638 0 50 EFAA Cc1cnc2sc(NC(=O)N=c3[nH][nH]c4c3CCCC4)nc2c1 1875301707 QUARLDBFPOAWAH-UHFFFAOYSA-N 328.401 2.668 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@@H]12 1875305864 KTRAWISZSFIAIY-CRAIPNDOSA-N 331.416 2.547 0 50 EFAA Cc1nccc(=NCC2(NC(=O)C34CCC(F)(CC3)C4)CCCC2)[nH]1 1875405293 BXWJBDUKSTYGPE-UHFFFAOYSA-N 346.450 2.720 0 50 EFAA C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccc(C(F)(F)F)nc3)o2)O1 886088007 AGJWYFFSCOTKMP-PSASIEDQSA-N 328.294 2.542 0 50 EFAA CCN1C(=O)C[C@@H](CNc2ncc(Cl)cn2)[C@@H]1c1cccnc1 886048171 GEDAWXNTVJRMNK-WFASDCNBSA-N 331.807 2.547 0 50 EFAA CCCn1cc(NC(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)cn1 1774354169 RWADOZLLDAROOR-SAABIXHNSA-N 328.416 2.507 0 50 EFAA CCn1cnc2c(N[C@H](C(=O)NC3CCCCC3)C(C)C)ncnc21 1775996405 YZZHVCIQCRUVML-AWEZNQCLSA-N 344.463 2.732 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)o1 1775959150 KVKKXYIMDXYWGL-BHPKHCPMSA-N 333.432 2.505 0 50 EFAA CC(C)(C)c1nocc1CN1CCC(n2ccc(C(=O)O)n2)CC1 1776286982 TZBKIHPFQAUNHL-UHFFFAOYSA-N 332.404 2.704 0 50 EFAA CNc1nc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cs1 155495053 RCRNKYPMXUPFNB-CQSZACIVSA-N 344.484 2.921 0 50 EFAA CC(C)[C@H](N)N[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 1857800336 BJBULGJIEYNZNN-ZYHUDNBSSA-N 338.666 2.643 0 50 EFAA Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2CCNC(=O)[C@@H]2C1 2325775663 YNWSGTRQZZLHQS-XJKSGUPXSA-N 340.402 2.554 0 50 EFAA C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCC[C@@H](N)Cc1ccccc1 2325866223 DQPHKHCIJHLVDD-SFHLNBCPSA-N 337.467 2.976 0 50 EFAA Cc1cnnc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)c1C 2356168234 VJWCNSDXGJXUCL-UHFFFAOYSA-N 335.411 2.777 0 50 EFAA CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccc(OC)cc1 4196687 GWYVRVNLSJODST-DFBGVHRSSA-N 348.395 2.645 0 50 EFAA Cc1ccc(C2=N/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)O2)cc1 4803523 GKMVDAIIPDTVPK-MHWRWJLKSA-N 337.331 2.803 0 50 EFAA CC(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C 4825960 OPJAIANJCNBCLF-UHFFFAOYSA-N 329.429 2.580 0 50 EFAA COc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6715833 LNCAJNQAYYGLEP-UHFFFAOYSA-N 343.402 2.866 0 50 EFAA O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1O2 245879167 NACTUEJIHOCAQZ-QCODTGAPSA-N 336.819 2.789 0 50 EFAA Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 20513068 HLACUMSRMWOVTE-IBGZPJMESA-N 344.430 2.696 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)C(C)(C)N)[nH]c2-c2ccccn2)cc1 67840244 MOCNRSCZJJHTGY-UHFFFAOYSA-N 349.438 2.801 0 50 EFAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H]2CCCC(F)(F)C2)cn1 253397524 UYKJNAFXKYYVSA-GXTWGEPZSA-N 339.386 2.809 0 50 EFAA CCn1c([C@@H]2CCCN(c3nc4ccccc4cc3C)C2)n[nH]c1=O 67758346 QUYKZROWLXTPRO-OAHLLOKOSA-N 337.427 2.832 0 50 EFAA C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)cc(-n3cnnn3)c2)C1 23192850 LTXLNZQDWUEVMK-CQSZACIVSA-N 348.410 2.596 0 50 EFAA C[C@@H](Oc1ccc(CN2CCC(Cn3ccnc3)CC2)cc1)C(=O)O 216434058 YYJOCGSLVWIGCB-OAHLLOKOSA-N 343.427 2.647 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H]2CCc3ccccc3C2)C1 328622889 ISWZQICIIUCADP-JCGIZDLHSA-N 327.428 2.945 0 50 EFAA C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)O)C(=O)N2Cc1ccco1 4770481 NGQBUEJDJHEHMY-YEWWUXTCSA-N 327.336 2.605 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)CCc1ccnn1C 328630690 QEKOQXDUWJWBEO-CYBMUJFWSA-N 332.473 2.696 0 50 EFAA Cn1cccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1=O 120368460 QNZLQWMXBLFJRC-WMLDXEAASA-N 341.411 2.675 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@]2(CCCOC2)O1 253432196 WUBSKOKRGZYYPN-BZNIZROVSA-N 326.343 2.767 0 50 EFAA CN(CCc1ccccn1)[C@H]1CCN(c2c(F)cccc2F)C1=O 153054195 YBHLVPAGGGGFFB-INIZCTEOSA-N 331.366 2.640 0 50 EFAA CCc1nnsc1C(=O)N(C)CCc1nc2c(C)cccc2[nH]1 71779994 CUBQCUZQWROZHM-UHFFFAOYSA-N 329.429 2.600 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1OCC1CC1 219000491 KEMKYQDJVWNOMQ-QZTJIDSGSA-N 335.419 2.849 0 50 EFAA C[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)S(C)(=O)=O 363962405 MCUTZMLVWNXHCY-GXFFZTMASA-N 349.374 2.802 0 50 EFAA CS[C@H](C(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 172410529 OCLSBYRNZRVAMU-AWEZNQCLSA-N 325.397 2.705 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2nnc(S)o2)cc1 123604920 QTELMKVCOYMDRR-CYBMUJFWSA-N 333.413 2.666 0 50 EFAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(F)c1 154959991 ZGZWCSJOZXXFND-SFHVURJKSA-N 340.398 2.789 0 50 EFAA Cc1cnc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)s1 124325104 JIOQHPHIIWRPNG-UHFFFAOYSA-N 334.825 2.864 0 50 EFAA CC[C@@H](C(=O)N1CCC(Oc2ccccc2OC)CC1)n1cccn1 77539485 DECXPNKQJXCSMW-INIZCTEOSA-N 343.427 2.913 0 50 EFAA CN1CCN(CC2(C)CCN(Cc3ccc(F)c(F)c3)CC2)CC1 371779260 YFGNHDKOSVVUET-UHFFFAOYSA-N 337.458 2.814 0 50 EFAA C[C@H]1Oc2c(cccc2C(=O)Nc2cc(C3CCC3)nn2C)NC1=O 158670835 ANNOCQPQEODTHC-SNVBAGLBSA-N 340.383 2.659 0 50 EFAA C[C@H]1CN(C(=O)CCc2cncc(F)c2)c2ccccc2NC1=O 157345209 ZGSLVTTTYCQEQC-LBPRGKRZSA-N 327.359 2.775 0 50 EFAA O=S1(=O)C(CCN2CCOCC2)=C(Cl)c2ccc(Cl)cc21 71767278 DSUOATPVNHGYMO-UHFFFAOYSA-N 348.251 2.757 0 50 EFAA COc1cc(CNC(=O)N2CC[C@@H](C3CCOCC3)C2)ccc1C 332250754 CJLWCRSPZLEZPA-QGZVFWFLSA-N 332.444 2.962 0 50 EFAA CCc1[nH]c2ccc(CNC(=O)CCn3ccccc3=O)cc2c1C 71736315 NLKIRIUASFORLJ-UHFFFAOYSA-N 337.423 2.907 0 50 EFAA COc1ccc2oc(CN3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc2c1 284546518 GKVPCTAIQYPZSV-RCCFBDPRSA-N 331.412 2.803 0 50 EFAA CCc1csc(NCc2ccccc2CN2CCC[C@@H]2CO)n1 340013424 GKWJYFWTJBWXOQ-QGZVFWFLSA-N 331.485 3.274 0 50 EFAA O=C(O)CC[C@H](CC1CCCCC1)NC(=O)c1ccc2nncn2c1 263404915 KFWGUKSNZSLPEI-OAHLLOKOSA-N 344.415 2.663 0 50 EFAA CCN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)c1ccncc1 426370871 XYWGMLXEZYVGBK-SFHVURJKSA-N 326.444 2.764 0 50 EFAA C[C@H]1CN(CCC2CCN(CCc3cccnc3)CC2)C[C@@H](C)O1 177495134 RJECFJZGCIKZKD-HDICACEKSA-N 331.504 2.835 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)CCc1cccs1 82115081 WDQNZCNYLAZMKJ-UHFFFAOYSA-N 328.397 2.784 0 50 EFAA Cc1noc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)n1 222659688 FIPBEXXJGYMNRI-KRWDZBQOSA-N 346.406 2.703 0 50 EFAA CC[C@@H](COC)NC(=O)N(CC)CCc1nc2ccc(C)cc2[nH]1 426531070 WRFGNXUYCXHRQL-AWEZNQCLSA-N 332.448 2.870 0 50 EFAA Cc1cc(C)c(NC(=O)Cn2c(=O)oc3cccnc32)c(Cl)c1 178215901 RPJORASMAMHQPR-UHFFFAOYSA-N 331.759 2.898 0 50 EFAA O=C(NC[C@@H]1CCOC1)c1ccc(-c2ccc(O)c(C(=O)O)c2)cc1 426533637 AMFKDZZPPCPNSV-LBPRGKRZSA-N 341.363 2.524 0 50 EFAA c1sc(N2CCCC2)nc1CN[C@@H]1CCOC2(CCOCC2)C1 82091316 JFWVEHQFFYNJDX-CQSZACIVSA-N 337.489 2.561 0 50 EFAA COc1cc(N2CCC(c3nc4c(C)cccc4[nH]3)CC2)nc(N)n1 96165917 LDZKXAWPFYHFJE-UHFFFAOYSA-N 338.415 2.636 0 50 EFAA CC(C)C[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ncnn1C 91725470 UTUUVDSEEMHMGA-OAHLLOKOSA-N 343.406 2.673 0 50 EFAA C[C@H](Oc1ccccc1-c1cccc(C(=O)N2CCCC2)c1)C(N)=O 96132476 AWDIRXRQRVAJMD-AWEZNQCLSA-N 338.407 2.842 0 50 EFAA O=C(c1ccccn1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91380880 ROBACHCCQIGCOX-KRWDZBQOSA-N 347.422 2.741 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95379477 WWQXDWZFBUKYGA-SFHVURJKSA-N 346.450 2.860 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3[nH]ncc3c2)C1 95525170 PGUNQBDMXPXBTR-ZDUSSCGKSA-N 343.431 2.675 0 50 EFAA Cc1ccc2nsnc2c1NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 95519890 APQSKMWCUYPIIB-SNVBAGLBSA-N 343.416 2.529 0 50 EFAA O=C(NC[C@H]1CNCCOC1)Nc1cccc(-c2ccc(F)cc2)c1 97156070 BESNFFVKMIHKKX-CQSZACIVSA-N 343.402 2.850 0 50 EFAA Cc1ccc([C@@H](CCO)NC(=O)c2ccccc2-c2nc[nH]n2)cc1 97743416 LEPRTEUIMQSIFM-QGZVFWFLSA-N 336.395 2.634 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1cccc(F)c1)C2 91746204 ONSVQYOJILAGHM-DOTOQJQBSA-N 332.419 2.618 0 50 EFAA CCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1 92019370 PNUFZPQZZKFGIE-RDJZCZTQSA-N 349.475 2.516 0 50 EFAA CSc1ncc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)cn1 243893582 ASNYXMRMXRGOBT-KRWDZBQOSA-N 328.485 2.905 0 50 EFAA CCOc1c(CN(C)c2cc([C@H]3C[C@@H](O)C3)ncn2)cccc1OC 252536095 HPCPMUGVOGSZMF-GASCZTMLSA-N 343.427 2.759 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 184742231 GKPMRIRYEIPQOT-IBGZPJMESA-N 343.515 2.841 0 50 EFAA CC(C)n1ccnc1CN1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O 534676263 MWNITOPPZDXLIM-KRWDZBQOSA-N 338.411 2.957 0 50 EFAA Cc1cccc([C@H](CNC(=O)c2cc(Cl)cnc2O)N(C)C)c1 534663356 DEFIRQQOLACLFO-HNNXBMFYSA-N 333.819 2.782 0 50 EFAA O=C(NCC[C@H]1CCCOC1)c1cnc(Nc2ccccc2)nc1 534642181 QVGCZCJCLLBHKK-CQSZACIVSA-N 326.400 2.767 0 50 EFAA 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EFAA CN1CCCC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 635159434 YOLRIMUWOXZIPR-ZDUSSCGKSA-N 328.334 2.580 0 50 EFAA CC(C)(CNC(=O)[C@H]1COCCN1C1CCCC1)c1ccccc1 188590768 XNARRAWNORXPJP-GOSISDBHSA-N 330.472 2.724 0 50 EFAA CCOc1cccc(-c2cn(Cc3nnc(OCC)s3)nn2)c1 640993779 GVYILDVGXRGOGL-UHFFFAOYSA-N 331.401 2.642 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)c(F)c1 643893268 QIUZMQWZGWWXIV-INIZCTEOSA-N 344.390 2.668 0 50 EFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ccnn1C 191936416 UEUUJZYFYASHDW-UHFFFAOYSA-N 326.322 2.747 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2cc(C)oc2C)C1 192374411 PWRLQUJPKORSSK-RIEGTJTDSA-N 348.403 2.820 0 50 EFAA O=C(O)c1cccnc1N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 647456352 KRAIYVHZEPXAQT-LBPRGKRZSA-N 344.333 2.965 0 50 EFAA O=C(CN1CCN(C[C@@H]2CCC=CO2)CC1)Nc1ccc(Cl)cc1 194084548 IZAAXWNNPQZMKS-KRWDZBQOSA-N 349.862 2.589 0 50 EFAA Cc1ccc(CC[C@@H](C)NC(=O)CN2C(=O)Cc3ccccc32)o1 669260174 YRUFZNSJDUYJCT-CYBMUJFWSA-N 326.396 2.615 0 50 EFAA 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0 50 EFAA Cc1nc2c(s1)[C@H](NC(=O)Cn1nc(C)c3cccnc31)CCC2 935300030 PVWGHTDIAODKNX-CQSZACIVSA-N 341.440 2.698 0 50 EFAA Cc1sc2ccccc2c1C(=O)N1CCN(c2cnccn2)CC1 1851556388 UHIPEDXXFWNNGL-UHFFFAOYSA-N 338.436 2.962 0 50 EFAA O=S(=O)(Cc1cccc(F)c1)N=[S@]1(=O)CCc2ccccc21 1875289385 NURWNQRMCXAKSZ-NRFANRHFSA-N 339.413 2.739 0 50 EFAA C=CC(=O)N(CCCC(=O)NC)Cc1ccc(-c2ccccc2)o1 1875376476 YCSLBEGQEWJYOT-UHFFFAOYSA-N 326.396 2.987 0 50 EFAA O=C(NCC1=NO[C@@H]2CCC[C@@H]12)N(CC1CCOCC1)C1CCC1 1875315971 PDNPADPJDWOOGW-DOTOQJQBSA-N 335.448 2.532 0 50 EFAA CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1 1875335592 XDVRTJWPDGZLAS-UHFFFAOYSA-N 331.803 2.861 0 50 EFAA COc1cccc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1F 1875404897 ZUEJAGIPKLMSOQ-WDEREUQCSA-N 347.390 2.552 0 50 EFAA Cc1ncc2c(n1)CC[C@H](NC(=O)N(Cc1ccoc1)C1CC1)C2 891770916 VBIYKTSLXHRPBZ-HNNXBMFYSA-N 326.400 2.610 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1c1cccc(-n2cnc3ccccc32)n1 893070325 GPQIHVFVASWNLH-INIZCTEOSA-N 345.410 2.891 0 50 EFAA O=C(NCc1cccnc1O)N1CCC[C@H]1COc1ccc(F)cc1 896040615 ZTQRVRKPTOKNDJ-HNNXBMFYSA-N 345.374 2.679 0 50 EFAA Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC(C)(c3ccccc3F)C1)CC2 1775984595 DCRSRIJXKGRYSM-ZDUSSCGKSA-N 327.403 2.762 0 50 EFAA CN1CCC(NCc2cc(I)cs2)CC1 1775990347 FENCKPLAWNLDTD-UHFFFAOYSA-N 336.242 2.537 0 50 EFAA O=C(O)C(F)(F)[C@@]1(O)CCCN(Cc2cc(Cl)cs2)CC1 1776004220 OZAYORNTQXGBNI-GFCCVEGCSA-N 339.791 2.838 0 50 EFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N1CC[C@@H](COCc2ccccc2)C1 237878869 QGUUKITZXPOQIK-XUBOLADHSA-N 342.483 2.972 0 50 EFAA O=C(O)c1cc(-n2c(S)nnc2-c2ccncc2)ccc1Cl 5551293 YYUHGHWXROXUHV-UHFFFAOYSA-N 332.772 2.970 0 50 EFAA O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccccc2)CC1 19721118 RVAQGDLGGDLLDD-UHFFFAOYSA-N 348.402 2.751 0 50 EFAA O=C([C@@H]1CCn2nncc2C1)N1CCC[C@H](c2c[nH]c3ccccc23)C1 2325790962 AOTSDQSBMXFUHD-CABCVRRESA-N 349.438 2.728 0 50 EFAA CC(C)[C@H](Sc1ccccc1)C(=O)N=[S@](C)(=O)CCCO 2325804176 YUCOXAZUAZWHNV-LHSJRXKWSA-N 329.487 2.810 0 50 EFAA Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)C2=COCCC2)o1 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O=C(O)C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1 238142846 ZAEQECWTDXICHD-ZWNOBZJWSA-N 329.755 2.538 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)c1ccc(Cn2cccn2)o1 78907000 GQLWJWRGGBMIBH-UHFFFAOYSA-N 333.351 2.962 0 50 EFAA OCc1ccc(CN2CCC[C@@H](Cc3nnc4ccccn34)C2)cc1 375116186 UGDGOTXUCWGKSW-SFHVURJKSA-N 336.439 2.676 0 50 EFAA CC[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)c1ccc(C)cn1 219495890 DYQAEFXSXQRFEW-QGZVFWFLSA-N 327.428 2.700 0 50 EFAA Cc1ccc2cc(CN3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)ccc2n1 284563075 HHXVMILOTYDPQZ-RLLQIKCJSA-N 326.440 2.905 0 50 EFAA CCc1ccnc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1 285573294 ZUMPSGPIMGTRLE-ABAIWWIYSA-N 342.399 2.507 0 50 EFAA Cc1sc2c(C)cccc2c1S(=O)(=O)N(C)[C@H](C)C(=O)O 263199659 XBERTPYOAWIELN-SECBINFHSA-N 327.427 2.612 0 50 EFAA COC[C@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccc(C)o1 175691116 ZUEGVLQNGQWSEY-GJZGRUSLSA-N 332.404 2.556 0 50 EFAA Cc1cc(C)nc(NCc2cc3n(n2)CCCN(CC(C)C)C3)n1 82091915 DXAATWQZMRAZBE-UHFFFAOYSA-N 328.464 2.764 0 50 EFAA 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339.439 2.962 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)NCc1ccc2c(c1)CNC2 188680987 PBASFQOICSSIFR-UHFFFAOYSA-N 337.379 2.705 0 50 EFAA C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)c1ncon1 188669540 JFNNVWRDVVGVIC-IUCAKERBSA-N 329.278 2.733 0 50 EFAA CCc1nc2c(s1)[C@@H](N(C)C(=O)CCc1cncn1C)CCC2 189302871 CCRUIPZRXFTEOT-AWEZNQCLSA-N 332.473 2.908 0 50 EFAA CNC(=O)C1(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 191750450 ZYSRRPDNOXTJRO-UHFFFAOYSA-N 342.361 2.625 0 50 EFAA Cc1noc2ncnc(N(CCCc3ccccc3)CCN(C)C)c12 192481105 WAJFZPORJVQJLR-UHFFFAOYSA-N 339.443 2.927 0 50 EFAA O=c1cc(CO)occ1OCCOc1cc(Cl)ccc1Cl 194652052 OITNLUDEUKFGEZ-UHFFFAOYSA-N 331.151 2.897 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1[C@H]3CC[C@H]1[C@H](C(=O)O)C3)CCC2 655544873 USIBMEHAGXYHMC-JFOHDYCDSA-N 329.396 2.579 0 50 EFAA CC1(C)[C@@H](C(=O)Nc2ncnc3[nH]cnc23)[C@@H]1C=C(Cl)Cl 1775977205 SBCUZTJBOWKFLS-POYBYMJQSA-N 326.187 2.883 0 50 EFAA CNCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 5140945 XPMACCNVZKHGPT-UHFFFAOYSA-N 337.814 2.991 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2N)cc1 11690559 YCZJTBCQQWZNEK-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 12138421 CNHGLLXYTJIUPD-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA CN1CCC(CC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)CC1 12431921 SNGZNKJYAHVINF-SFHVURJKSA-N 347.478 2.638 0 50 EFAA O=C(N[C@@H]1CCOC1)c1cc(COc2ccc3c(c2)CCCC3)on1 12588853 HLDPWCKAMVQGHQ-OAHLLOKOSA-N 342.395 2.651 0 50 EFAA CCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 13944532 GGPJWIYFAHXCRS-NSHDSACASA-N 330.413 2.716 0 50 EFAA CCCCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl 16625844 GLNCSZNPFIQHLH-GFCCVEGCSA-N 347.864 2.976 0 50 EFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](c2cc[nH]n2)C1 1857708320 NJTLPCQXYXORDA-CYBMUJFWSA-N 339.374 2.877 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(c3nc(C)c4c(n3)CCC4)CC2)O1 1857723742 UDFKJEGHKHPVTD-CABCVRRESA-N 331.460 2.563 0 50 EFAA COc1cc(C(=O)Oc2ccc3c(c2)OCC3=O)cc(OC)c1OC 145986 JAWBHVDMHTXOQU-UHFFFAOYSA-N 344.319 2.507 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@H]2CCN(c3ccccc3F)C2)nn1C 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NYSCEXADIZDZSA-HXUWFJFHSA-N 347.422 2.782 0 50 EFAA CS(=O)(=O)c1cccc(NC(=O)c2ccc3ccncc3c2)c1 1124508731 YRVQYVZKGNTUAG-UHFFFAOYSA-N 326.377 2.891 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccc(C(F)(F)F)nn1 849345682 HXKWMNFWEPTBEV-GXFFZTMASA-N 341.337 2.809 0 50 EFAA CC1(C)CN(C(=O)C23CCCN2CCC3)[C@H]1c1nccn1C1CC1 952895701 WEUFMKBKDDGRPM-HNNXBMFYSA-N 328.460 2.756 0 50 EFAA CCN1C[C@@H](c2nc(-c3cc(NC)nc4ccccc34)no2)CC1=O 952992809 CIAPAJRLSMIBOX-NSHDSACASA-N 337.383 2.662 0 50 EFAA C[C@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CCN1C 952994925 WTYJMZNTVFKPQP-XDQVBPFNSA-N 349.441 2.685 0 50 EFAA O=C1CC[C@H](c2ccc(-c3cccc4c3OC[C@@H](C(=O)O)C4)cc2)N1 1875281368 NOROIBPRATWINQ-DOTOQJQBSA-N 337.375 2.940 0 50 EFAA Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H]2c2ccccc2)ccc1N 1875313575 PMMJBIFYAFCEBC-NVXWUHKLSA-N 337.423 2.826 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cc(F)cc(-c3cccnc3)c2)cn1 1875381069 JKUYXZKXZDYWKG-HOYKHHGWSA-N 338.386 2.884 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(C)CC(F)(F)C3)n[nH]c21 1875404409 HWWSQBUVVUATNJ-ZJUUUORDSA-N 327.375 2.939 0 50 EFAA COc1ccc(NC(=O)Cn2nc(C)c(Br)c2C)cc1 12420489 WKVHRFVWHJXQLS-UHFFFAOYSA-N 338.205 2.910 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)N3CCCSC[C@H]3C)sc2n1 889921497 AENPPAOZFURFIK-MRVPVSSYSA-N 336.486 2.858 0 50 EFAA C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cc(C(F)F)ncn1 1774545706 WHHKDWRXVHDACC-GFCCVEGCSA-N 346.381 2.985 0 50 EFAA Cc1cnccc1N1CCC(c2nc(-c3cccc(O)n3)no2)CC1 2325761999 QBIINXAWRUDCJG-UHFFFAOYSA-N 337.383 2.925 0 50 EFAA Cc1cccc2c1[C@@H](NC(=O)N1CC(=O)N(CC3CC3)C1)CCC2 2325868847 NBIVOFFPXCDJOG-INIZCTEOSA-N 327.428 2.594 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 855554739 XNHFIUUCGAVFFC-QAPCUYQASA-N 330.428 2.643 0 50 EFAA COc1cccc(N2CCC[C@@H](NC(=O)c3c(C)noc3C)C2)c1 117180384 ORMHYWHXTLZSOQ-CQSZACIVSA-N 329.400 2.699 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br 361802 PGUNZPQJJBRSDB-GFCCVEGCSA-N 339.189 2.640 0 50 EFAA Cc1cc2ncn(C(=O)CN3C(=O)c4ccccc4C3=O)c2cc1C 456629 GAACUSDGULPHTD-UHFFFAOYSA-N 333.347 2.590 0 50 EFAA COc1cc(OC)cc(C(=O)NC(=S)NCCc2ccccc2)c1 1049930 HOFANOOJUWSYHI-UHFFFAOYSA-N 344.436 2.551 0 50 EFAA Cc1cccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)c1 2652630 RHOJVDAICBLOQV-UHFFFAOYSA-N 327.413 2.780 0 50 EFAA CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 2833026 KKHDOZXLYMRZMB-UHFFFAOYSA-N 338.473 2.536 0 50 EFAA CC(C)c1cccc(OCCOCCN2C(=O)NC(C)(C)C2=O)c1 2862555 WLFZDRISAXVCNO-UHFFFAOYSA-N 334.416 2.536 0 50 EFAA CCOc1ccc(Br)cc1C(=O)NC[C@@H]1CCCO1 4869396 VOGCNGZRBAXCGR-NSHDSACASA-N 328.206 2.757 0 50 EFAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCCCCC1 10327443 RXWZYIYHWVWINR-UHFFFAOYSA-N 331.441 2.651 0 50 EFAA O=C(NC1CCN(c2ncccn2)CC1)c1cc2cc(F)ccc2o1 117608889 PPDFUQPJUFWAAY-UHFFFAOYSA-N 340.358 2.761 0 50 EFAA COCCC[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 107118974 GHMKZGIDDFWORZ-KRWDZBQOSA-N 340.489 2.644 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225538955 PSRSPTFCLIHLCE-WMZOPIPTSA-N 339.370 2.510 0 50 EFAA O=C(NCC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 54090955 ZQUOEZSCHYOVFB-QPJJXVBHSA-N 327.350 2.589 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2c[nH]c3cc(Cl)ccc23)N(C)C1 344512167 IBESMNLIDCWJGM-GJZGRUSLSA-N 349.862 2.541 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N(C)C(=O)Cc1ccn[nH]1 247669502 YJQRMXAXDMJCOG-IGOJGBNBSA-N 340.471 2.567 0 50 EFAA CC(C)[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O 20726271 SLVSVKSWOFVASF-KRWDZBQOSA-N 348.406 2.604 0 50 EFAA Cc1ccc(-c2nc(NCC(N)=O)ncc2-c2cccc(C#N)c2)cc1 65461527 JRFPZFGZYDFGOK-UHFFFAOYSA-N 343.390 2.888 0 50 EFAA Cc1cc(CN2CCC(Cn3cc(-c4ccsc4)nn3)CC2)n[nH]1 20543262 NJSZNTCCHPBTHQ-UHFFFAOYSA-N 342.472 2.950 0 50 EFAA COc1ccc2c(c1)C[C@H](c1nc(CC3CCN(C)CC3)no1)CO2 67947664 OUTCDOAHSOSGLO-HNNXBMFYSA-N 343.427 2.681 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCN[C@@H](C)Cn2nc(C)cc2C)n1 67879556 YCZLGFXXLRNFHS-LBPRGKRZSA-N 341.381 2.838 0 50 EFAA CC(C)c1cc(C2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)[nH]n1 67909433 MKDKHVWSASULPZ-CQSZACIVSA-N 329.448 2.772 0 50 EFAA COc1ccc(-n2ccnc2-c2cc3ccccc3[nH]c2=O)c(OC)n1 67974950 RTLSLMLUDVRCJL-UHFFFAOYSA-N 348.362 2.793 0 50 EFAA CO[C@@H](CNc1nc(N)nc2ccc(C(=O)O)cc12)c1cccs1 65491086 NGXBPAVDMKFNRK-LBPRGKRZSA-N 344.396 2.771 0 50 EFAA CCn1c(Sc2ncnc3c2cnn3C)nnc1-c1cccs1 253396801 PZTVXTKGGKYASD-UHFFFAOYSA-N 343.441 2.854 0 50 EFAA C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229314771 DWKTVBGHBSPHHA-GHMZBOCLSA-N 334.370 2.727 0 50 EFAA Brc1cnccc1N1CCC(Oc2cnccn2)CC1 329222255 WCGQOYGZNHGBSK-UHFFFAOYSA-N 335.205 2.682 0 50 EFAA CCCN(CC)c1ccc(C(=O)N2CC3(CCNCC3)C[C@@H]2C)cn1 424232312 HMEIESOBWCULKR-INIZCTEOSA-N 344.503 2.922 0 50 EFAA O=S(=O)(CC[C@H]1CCCO1)N1CC[C@H]1c1ccc(Cl)cc1 252517956 VZICBJSYHIENRE-CABCVRRESA-N 329.849 2.986 0 50 EFAA O=c1c(Br)c(Br)cnn1CCCCCF 252500003 SLRYAKWLMXIVEA-UHFFFAOYSA-N 342.006 2.908 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cn1 72174523 NIPDGUGGXXPFLQ-INIZCTEOSA-N 328.391 2.895 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@H](CCO)C3)c(C)o2)cc1 71707986 FIZOVZVWQDXDOE-OAHLLOKOSA-N 348.468 2.955 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N2CCOC3(CCOCC3)C2)cc1F 121752080 YRNRVNSYYPFINS-AWEZNQCLSA-N 336.407 2.786 0 50 EFAA CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 72433864 CFBWNDKJYRZYAY-DLBZAZTESA-N 346.496 2.893 0 50 EFAA COc1cc(NC(=O)N2CCCSCC2)cc(-n2cccn2)c1 253421569 YGWWLBOHLFBVDZ-UHFFFAOYSA-N 332.429 2.852 0 50 EFAA Cc1ncsc1-c1nc(-c2cccc(NS(C)(=O)=O)c2)no1 253419066 HTWRGOONPNCSJK-UHFFFAOYSA-N 336.398 2.540 0 50 EFAA CN(C[C@@H](O)c1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328587012 VWQBVWPQYJMXLR-ZCNNSNEGSA-N 325.456 2.740 0 50 EFAA COc1ccc(CC(=O)Nc2nc(-c3ccccc3)nn2C)cc1F 253431294 QXZFFZUSWXXICL-UHFFFAOYSA-N 340.358 2.811 0 50 EFAA CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CCC)c2ccccn2)C1 253405993 VAEXQDKCZWQEKB-HOTGVXAUSA-N 331.460 2.730 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCCn1nc(C)c(C)c1C)N(C)C 219943308 DUAIGGHHMAXKLD-GOSISDBHSA-N 328.460 2.536 0 50 EFAA Cc1ccc(O)c(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c1 71764131 JTYWXCDEDXSCOD-KRWDZBQOSA-N 344.455 2.810 0 50 EFAA C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cnc(S)n1-c1ccccc1 154991111 FNCSPTZJIQYLRL-OCCSQVGLSA-N 331.441 2.537 0 50 EFAA COc1cc(OC)c(NCc2nnc(C)n2C)cc1Br 155599047 RFUVFSJUANUBGV-UHFFFAOYSA-N 341.209 2.515 0 50 EFAA Cc1c(NC(=O)Nc2ccn(C)n2)cccc1C(=O)N1CCCC1 158919639 CMNBQLJOQVFXIJ-UHFFFAOYSA-N 327.388 2.609 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 377300567 WJARYAVBVXGFLW-GOSISDBHSA-N 337.427 2.541 0 50 EFAA COc1cc(CN2CCN(C(C)=O)CC2)c(Cl)cc1OC(C)C 215105371 GHZFACRLOXCSDI-UHFFFAOYSA-N 340.851 2.800 0 50 EFAA CC[C@@H]1CN(Cc2cnc(C)[nH]2)CCC(=O)N1Cc1ccccc1 71708056 SJEBPOUDNZKGHH-GOSISDBHSA-N 326.444 2.731 0 50 EFAA CN1C[C@@]2(CCCN(Cc3nnc(-c4ccccc4)o3)CC2)OC1=O 72145794 BSUQPBZYNAHEAE-SFHVURJKSA-N 342.399 2.543 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ncc(C(C)(C)C)o3)C2)nn1 284577286 JCRMKNHZAABVIO-GOSISDBHSA-N 347.463 2.628 0 50 EFAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 175347628 OFFLZZLEVBDASR-WBVHZDCISA-N 329.444 2.863 0 50 EFAA N[C@@H](CC(=O)N1CCCN(C2CCCCC2)CC1)c1ccccc1 82121757 MHVNXPSAJKPUJN-IBGZPJMESA-N 329.488 2.944 0 50 EFAA COc1cc(C(=O)O)ccc1CCNC(=O)CCc1ccc(F)cc1 263321951 JDPAKYHWQDBSJA-UHFFFAOYSA-N 345.370 2.824 0 50 EFAA COc1ccc(F)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1F 82155719 PYZBGRLUVMBNRD-GFCCVEGCSA-N 327.371 2.791 0 50 EFAA Cc1noc2nc3c(c(C(=O)N4Cc5ccccc5[C@H](O)C4)c12)CCC3 82134963 DFQWSIJDAYZVEL-MRXNPFEDSA-N 349.390 2.709 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)[C@@H]2CCCC(C)(C)C2)(C(=O)O)C1(C)C 263532649 NFEYWOBRDOQVNS-SNUQEOBHSA-N 325.449 2.977 0 50 EFAA Cc1ccnc(-c2ccc(NC(=O)N(C)[C@@H](C)C[S@](C)=O)cc2)n1 160386444 QEZZUDNHLZSEKP-RKNYENMMSA-N 346.456 2.683 0 50 EFAA C[C@@H](NC(=O)Nc1nnc(-c2ccccn2)s1)C1CCOCC1 177774572 HGSYMUITXHWYBO-SNVBAGLBSA-N 333.417 2.537 0 50 EFAA COc1cccnc1-c1ccc(C(=O)NCCCN2CCCC2)cc1 426526037 JJGCDYYTAXSEPU-UHFFFAOYSA-N 339.439 2.973 0 50 EFAA CSCc1nc(CCN[C@@H]2CCOC3(CCOCC3)C2)cs1 82108057 BXFTXEDAZUNCOP-CYBMUJFWSA-N 342.530 2.866 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCC(=O)NC(C)C)cc2)c(C)n1 426428391 SDHNUQNHYGVLID-UHFFFAOYSA-N 325.412 2.620 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1OC 239305872 GCYWBXLEDFNDIC-IACUBPJLSA-N 335.400 2.772 0 50 EFAA CC[C@H](C(=O)NC1CCN(c2ccccc2F)CC1)n1cccn1 92065683 MFDINMGZBVBCBD-MRXNPFEDSA-N 330.407 2.759 0 50 EFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cncc(F)c2)C1 426547550 DZQRMBKBHJGUOD-HNNXBMFYSA-N 327.403 2.748 0 50 EFAA FC(F)(F)c1ccnc(N2CCN(C3CCSCC3)CC2)n1 92898945 VOQUMVJBFJYXIF-UHFFFAOYSA-N 332.395 2.513 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(F)c(C)c1)CC2 91848121 QRKDOGMSFSKQNB-UHFFFAOYSA-N 346.446 2.928 0 50 EFAA CN(C)[C@H]1CCN(Cc2cc3ccccc3n2C)C[C@H]1CCC(=O)O 91693848 NAEDYXXARXHTAR-AEFFLSMTSA-N 343.471 2.795 0 50 EFAA CCc1ccccc1-c1cn(Cc2cccc(-c3nnn[nH]3)c2)nn1 91707020 LKXZSLOUWSSCIF-UHFFFAOYSA-N 331.383 2.736 0 50 EFAA CCN1CCC(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)CC1 95367403 PPRORGUTVKVDBB-MRXNPFEDSA-N 331.504 2.922 0 50 EFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2ncoc2C)CC1 97323872 AKHIZOXOGDTZQB-UHFFFAOYSA-N 342.443 2.547 0 50 EFAA COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C=C(C)C)c1 296839524 IBUTYVYAXLIVMR-CQSZACIVSA-N 342.233 2.916 0 50 EFAA O=C(c1cccc2ncsc12)N1CCCC[C@@H]1CN1CCOCC1 1940197817 TYASBENOISCEPU-CQSZACIVSA-N 345.468 2.623 0 50 EFAA Cc1ccccc1-c1ccc(NC(=O)N2CCOC[C@H]2CO)cc1 299773049 ADPZIOZKUIQSFW-QGZVFWFLSA-N 326.396 2.887 0 50 EFAA O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cccc(-c2nn[nH]n2)c1 900037473 AGDXEMBDDXSKNT-AWEZNQCLSA-N 327.388 2.545 0 50 EFAA Cc1cc(NC(=O)c2cc3n(n2)CCC[C@H]3O)cnc1C(F)(F)F 1434223001 LBYOVMKELUHFGS-GFCCVEGCSA-N 340.305 2.685 0 50 EFAA CC1(C)CCc2cc(CC(=O)N3CCc4nc[nH]c4C3)ccc2O1 888103880 HVMCOPBKAVPNOZ-UHFFFAOYSA-N 325.412 2.641 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N(CC)Cc1nc(O)c2ccccc2n1 408474586 GBSNLALMDCXYCL-GDBMZVCRSA-N 343.427 2.889 0 50 EFAA CC[C@H](CO)NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 408519564 WMCXFXYSHWIVOU-GDBMZVCRSA-N 345.361 2.542 0 50 EFAA Fc1cccc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n1 408523042 OFMJCAQVOXOXPR-MRXNPFEDSA-N 342.418 2.869 0 50 EFAA O=C(Nc1cccc(C(=O)OC2CCNCC2)c1)c1ccc(F)cc1 170676749 GFSCZAXWTVPUEV-UHFFFAOYSA-N 342.370 2.987 0 50 EFAA C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1F 165688969 RRBIHASHBVFQJM-FNDUUJAJSA-N 332.350 2.983 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CC(=O)N(C)C2)c1C 170090568 HOWNXKSVNSRTAH-LBPRGKRZSA-N 346.818 2.559 0 50 EFAA Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(Cl)cc3F)C2)cn1 187650058 APJQEKKAVQLRNP-GFCCVEGCSA-N 336.798 2.912 0 50 EFAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCN1 188368348 SHRMQUHDDUTLEU-RTXFEEFZSA-N 328.334 2.509 0 50 EFAA Cc1nsc(N2CCN(Cc3ccc(OCC4CC4)cc3)CC2)n1 191402245 MOBWKPSMYBJGPC-UHFFFAOYSA-N 344.484 2.958 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 191889638 AEGSOODPJZHOGF-IAGOWNOFSA-N 326.444 2.966 0 50 EFAA COC[C@H](NC(=O)NCCc1cccnc1)c1ccc(Cl)cc1 194160230 RSCMZUOLGNNZPN-INIZCTEOSA-N 333.819 2.964 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 194219369 RYUYSJKXERGGQC-BLLLJJGKSA-N 343.358 2.837 0 50 EFAA O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1snc(O)c1Cl 655336050 BVARFQYAZLEXBY-WDSKDSINSA-N 344.742 2.732 0 50 EFAA CNCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C 225471605 SHFTUDUMIMANOW-AMIZOPFISA-N 329.263 2.568 0 50 EFAA C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccccc1 11903497 OFHHSKSQFGJJFM-NSHDSACASA-N 329.425 2.768 0 50 EFAA O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(F)cc1 15913394 GRWLPTCQVGSXPP-UHFFFAOYSA-N 329.360 2.737 0 50 EFAA O=C1C[C@@H](Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)CN1 1857681837 OWJBXNISHQLNDQ-LLVKDONJSA-N 326.787 2.888 0 50 EFAA Cn1c(C2CCN(C(=O)CNc3cccnc3)CC2)nc2ccccc21 1857685892 YYVOPXFCDGKNPA-UHFFFAOYSA-N 349.438 2.786 0 50 EFAA COC(=O)c1ccc(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 2891103 HNVWKUVHPFSVSU-ZWKOTPCHSA-N 332.352 2.501 0 50 EFAA C[C@@H](O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 118728957 FWUVEGSZAKDRKX-GFCCVEGCSA-N 333.819 2.759 0 50 EFAA C[C@]1(C(=O)Nc2cccc(OCC(=O)O)c2)CCc2ccccc21 649245228 ZQSQRCDXZDAECA-IBGZPJMESA-N 325.364 2.993 0 50 EFAA O=C(O)CN(C(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 238107848 HSUGUPGSVPAECB-UHFFFAOYSA-N 332.183 2.699 0 50 EFAA C[C@H](NC(=O)Nc1cnn(C)c1C(F)F)[C@@H]1C[C@H](C(=O)O)C1(C)C 653541105 DLFDSGVFFWQSGI-XHNCKOQMSA-N 344.362 2.615 0 50 EFAA COc1ncc(Cl)c(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 253395606 YBNLJSFSIYCNMA-RNCFNFMXSA-N 341.745 2.729 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 365748180 AQFZBSUZYPDQOB-KRWDZBQOSA-N 338.835 2.566 0 50 EFAA CNc1ccc(C)cc1CN[C@@H]1CCCN(c2ccc(C)nn2)C1 902208181 FFJKROJUIANKOQ-QGZVFWFLSA-N 325.460 2.894 0 50 EFAA CCc1onc(C)c1Cn1cnc2c(sc3ncccc32)c1=O 917942338 CRHCMSMCZHXNEA-UHFFFAOYSA-N 326.381 2.913 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F 822911724 YNLVFLRFLKKTTC-ZDUSSCGKSA-N 348.349 2.921 0 50 EFAA CN1C[C@H](CCNC(=O)Nc2cscc2Br)CC1=O 931626524 FCAVFFUYLMULJW-MRVPVSSYSA-N 346.250 2.501 0 50 EFAA COc1ccc(N(C)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1 1130771047 ZPGBMAHDCIKDKY-UHFFFAOYSA-N 339.399 2.707 0 50 EFAA CCOC(=O)CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CO 864094288 PHHCBZLUDSIPON-SECBINFHSA-N 345.321 2.583 0 50 EFAA CCOc1ccc2[nH]c(=NCc3noc4c3COCC4)sc2c1 1875280158 XHUBVOCVVIRTJU-UHFFFAOYSA-N 331.397 2.790 0 50 EFAA O=C(c1cncc2nc[nH]c12)N1CC=C(c2c[nH]c3ncccc23)CC1 1875331650 RIPQPRKBRQQGKT-UHFFFAOYSA-N 344.378 2.764 0 50 EFAA CCn1nc(C(=O)N2CCOCCC23CCC3)c2c1[C@H](C)O[C@H](C)C2 1875300072 KIKANGSMOXWMPG-KGLIPLIRSA-N 347.459 2.710 0 50 EFAA O=C(N=[S@@]1(=O)CCC[C@@]2(CCCN2)C1)c1cncc2ccccc12 1875393126 GXYXRQZQQPOQQJ-MHECFPHRSA-N 343.452 2.759 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CNC[C@H]1c1cc(F)cc(F)c1)c1cccnc1F 1875326741 ISOOZESGYHFGNR-HPEXNQPKSA-N 349.356 2.679 0 50 EFAA O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)[C@H]1CCCOC1 889648228 QFLNXCIAKAHDKY-ZETCQYMHSA-N 342.168 2.830 0 50 EFAA Oc1ccc(-c2nnc(N3CCC(O)(C(F)F)CC3)s2)cc1 893275601 WNOFZQJGJFEQTK-UHFFFAOYSA-N 327.356 2.507 0 50 EFAA COc1ccccc1O[C@H]1CCCN(c2cccc(F)c2C(N)=O)C1 893842501 SGMSHYKTPKQMMS-ZDUSSCGKSA-N 344.386 2.981 0 50 EFAA Cc1ccc2oc(C(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)cc2c1 2325785984 XAGIVPMWCHZIMX-FVQBIDKESA-N 339.395 2.507 0 50 EFAA CC(=O)NC1CC([C@@H]2CCN(C(=O)c3scnc3C(C)(C)C)C2)C1 2325849096 GPDRSQYBGGYLJJ-IYXRBSQSSA-N 349.500 2.817 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1 182080 HWVZDBZWXVKEPK-UHFFFAOYSA-N 337.360 2.531 0 50 EFAA CCOc1cc(CN2CCC(C(=O)NCC(C)C)CC2)ccc1O 236111 UGFCZANNSOJMMA-UHFFFAOYSA-N 334.460 2.775 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=O)Cc3cccs3)CC2)cc1 1055336 JRJXDYIUFGONRI-UHFFFAOYSA-N 328.437 2.842 0 50 EFAA COc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc(C)cc21 1362074 HBOIPPMHVXYCLO-UHFFFAOYSA-N 340.379 2.676 0 50 EFAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(O)cc3)c2C(N)=O)C1 1788415 TWMFMKAMCVYZAC-SECBINFHSA-N 330.409 2.930 0 50 EFAA COCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 2819077 PMJGZIRWEARIMC-GUMHCPJTSA-N 347.414 2.915 0 50 EFAA Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 3017378 LAPDLARAEKBKTO-UHFFFAOYSA-N 337.423 2.635 0 50 EFAA Cc1ccc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1Cl 4973368 DCOAPPZXDLRCTH-CQSZACIVSA-N 343.814 2.713 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCc1ccccc1OCC1CC1)CC2 245657806 CUJWXZXPCVSEQF-ROUUACIJSA-N 343.471 2.854 0 50 EFAA O=C1[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]23)CCN1c1ccccc1Cl 245779809 QWVOQRATQUDTLY-DPAVQSFQSA-N 334.847 2.993 0 50 EFAA Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@@H]2[C@H]1CC=CCC1 10385391 NDSXEAOGJROIBK-HOCLYGCPSA-N 327.432 2.674 0 50 EFAA CCN(CC)C(=O)Cc1ccc(NC(=O)Nc2cc(C)n[nH]2)cc1 225421333 AHAHEKMPQXJEDO-UHFFFAOYSA-N 329.404 2.773 0 50 EFAA O=C1NC2(CCCC2)C(=O)N1CCCNCc1sccc1Cl 225608898 NQKDDCDBQLZWHL-UHFFFAOYSA-N 341.864 2.746 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 225651443 WNZLQHSSDHIUPF-KGLIPLIRSA-N 329.331 2.777 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCn3cccc3[C@@H]2C)C1 247242724 TVULBSGNSXJSIS-UMPGKWJCSA-N 337.489 2.654 0 50 EFAA CC[C@]1(C(=O)NCc2cccc(COC3CCOCC3)c2)CCCN1 134491281 NZIBVZAZWRLNRS-HXUWFJFHSA-N 346.471 2.531 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)c1 248081119 AISHRNUKSBCSRG-BZSNNMDCSA-N 325.412 2.896 0 50 EFAA CC[C@H](C(=O)N1CCCN(C)C2(CCN(C)CC2)C1)c1ccccc1 67894469 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ACXXETFSEGRONL-QGZVFWFLSA-N 337.423 2.718 0 50 EFAA CSc1ncc(CN2CCN(c3cc(C)cc(C)c3)C(=O)C2)cn1 72153601 LXFXPAPDAXVTKM-UHFFFAOYSA-N 342.468 2.664 0 50 EFAA CS(=O)(=O)[C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 282139729 NCRCDMYSLNIHGA-ZDUSSCGKSA-N 335.450 2.674 0 50 EFAA C[C@H](OCC(=O)N1CCSC2(CCCCC2)C1)c1nccn1C 376858392 LOPUXBTVFNTYTM-AWEZNQCLSA-N 337.489 2.776 0 50 EFAA Nc1cc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)ccn1 77285250 XZORVFFYEOXENU-QGZVFWFLSA-N 337.423 2.718 0 50 EFAA Cc1ccccc1NCCC(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 262147958 FOBJEKVGSLAASF-MOPGFXCFSA-N 337.467 2.998 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N(CC(C)C)C2CC2)C1 375172453 VJPYYBNALJBPKM-KRWDZBQOSA-N 349.475 2.529 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@](C)(C(=O)O)C1 237729760 XTEKYDWKJLKIDJ-QGZVFWFLSA-N 347.802 2.771 0 50 EFAA Cn1cc(-c2ccccc2CNC(=O)Cc2ccc3c(c2)OCO3)cn1 378294290 PYHSVHLZCLCLOX-UHFFFAOYSA-N 349.390 2.675 0 50 EFAA CC1(C)NCC[C@@H]1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 449751437 YKPPPCZIFUHVBT-ZDUSSCGKSA-N 348.834 2.579 0 50 EFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1n[nH]c2c1CCCCC2 215373688 JNPYIWBVQFUORP-UHFFFAOYSA-N 347.484 2.714 0 50 EFAA O=C(O)C1CCN(C(=O)CCc2cc(Br)cs2)CC1 238102064 KIYWSNREJALGOR-UHFFFAOYSA-N 346.246 2.766 0 50 EFAA CCn1cc(CCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cn1 285231780 YDJXPAAQZLRZMF-CQSZACIVSA-N 341.381 2.998 0 50 EFAA CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C2OCCO2)CC1 175008863 JCEWADSVOPCYIF-HUUCEWRRSA-N 342.505 2.845 0 50 EFAA Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)c1 136205588 RFTKYPUCCIFEFW-IPMKNSEASA-N 347.418 2.531 0 50 EFAA O=C(CCC(F)(F)F)N1CCN(CCOc2ccccc2)CC1 82106878 VIHRROOCXVZBDT-UHFFFAOYSA-N 330.350 2.552 0 50 EFAA COC(=O)CSc1nnc([C@H](C)Oc2cccc(Cl)c2)n1C 17071489 OCFFBZPIGIHFQI-VIFPVBQESA-N 341.820 2.874 0 50 EFAA Cc1ccc([C@]2(C(=O)NCCSc3cnn[nH]3)CC2(C)C)cc1 426488493 ZFEHZUCFVOEKDZ-KRWDZBQOSA-N 330.457 2.689 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCc1cccc(Cl)c1)CC2 426429869 WFCPCULVECOKSB-SOLBZPMBSA-N 337.847 2.804 0 50 EFAA Cc1nc(CNC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cs1 426740347 DLORWKYVYVBHNA-INIZCTEOSA-N 346.456 2.502 0 50 EFAA CC1CCN(C(=O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 291682103 GZJDQAKWNFDLEO-OAQYLSRUSA-N 344.499 2.562 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2cc(F)c(F)c(F)c2)on1 180514941 TYSXGYGRMBIOKP-SECBINFHSA-N 327.306 2.859 0 50 EFAA CN(C)[C@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1F 95391176 BFMFUFBTDJVUEN-SFHVURJKSA-N 340.402 2.632 0 50 EFAA CC[C@@H](NC(=O)c1ccc(OC)cc1OCCN)c1ncccc1C 426401989 QMHYTQGVYLFFRI-MRXNPFEDSA-N 343.427 2.617 0 50 EFAA CC[C@]1(CO)CCCN(c2ccc(Cn3nc(C)cc3C)cn2)C1 91746838 MZZYVFXXBGXEFV-IBGZPJMESA-N 328.460 2.932 0 50 EFAA C[C@@H]1CCN(CC(=O)N(C)Cc2cnc(-c3ccccc3)s2)C1=O 95515202 KMKOGAUKWUVJLW-CYBMUJFWSA-N 343.452 2.637 0 50 EFAA CCc1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)cs1 92062256 WTCHLCOAHKDNNL-LSDHHAIUSA-N 337.489 2.678 0 50 EFAA O=C(NCCOCc1ccccc1)[C@@H]1CCCN(C2CCCC2)C1 95359451 YEUSQWUCZHOILK-GOSISDBHSA-N 330.472 2.974 0 50 EFAA c1cn(-c2ccc3c(c2)CCC3)c(-c2cn(C3CCNCC3)nn2)n1 91780363 USKOJQBEVBTLDY-UHFFFAOYSA-N 334.427 2.544 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)ccc1OC1CCCC1 299744364 SCZAZZYJGJGJBQ-CQSZACIVSA-N 347.411 2.953 0 50 EFAA CN(CCN1CCC[C@@H](c2nnc3n2CCC3)C1)Cc1ccccc1 297596251 UNLJCEBZAWGDEK-GOSISDBHSA-N 339.487 2.536 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)CO[C@H]3CCCC[C@H]3CC)c12 184013563 IUJZSAUNZLOANQ-YPMHNXCESA-N 333.436 2.783 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)NCc2noc(-c3ccco3)n2)on1 534583478 DNCYGDDQDVWEBO-NSHDSACASA-N 343.343 2.673 0 50 EFAA Cc1nc(C2(NC(=O)CCc3cccc4c3OCO4)CCCC2)no1 184949479 IUPAFBWVSZSJEP-UHFFFAOYSA-N 343.383 2.625 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc4c3NCCC4)[C@H]2C1 299796668 NYLJOAYMTJBYST-OXFYSEKESA-N 344.455 2.843 0 50 EFAA Cc1cc(C(F)(F)F)c(N2CC[C@@]3(C2)C(=O)Nc2ccccc23)nn1 685939854 GXVDDUCNYZHIRI-INIZCTEOSA-N 348.328 2.904 0 50 EFAA CN(C)CC(=O)Nc1ccccc1NC(=O)c1cccn1C1CC1 952990522 WTIHTEXNZZEOAQ-UHFFFAOYSA-N 326.400 2.575 0 50 EFAA C[C@]1(O)CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@H]1O 1565507669 KYPPCPCJTQXVRC-CTNGQTDRSA-N 339.435 2.630 0 50 EFAA O=C(CCc1ccccn1)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565511817 BHENZQIPZNIFSY-KOUHRCEDSA-N 336.435 2.777 0 50 EFAA C[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@]1(O)C1CCC1 1565511887 BUPIJJRJXFKALK-MGPUTAFESA-N 346.471 2.501 0 50 EFAA CCC1(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CCC1 170016302 XRLWINRLVQEVOO-UHFFFAOYSA-N 341.459 2.887 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O 91302890 BPXAKAVXORPYFV-UHFFFAOYSA-N 330.428 2.876 0 50 EFAA in-vitro CCC[C@@H](Cc1ccccc1)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275428775 FEWPVSTWEVYNDR-NSHGMRRFSA-N 340.471 2.741 0 50 EFAA CCS(=O)(=O)c1ccccc1NCc1ccc([S@](C)=O)cc1 170604496 MJCBRPGTWYOQDB-NRFANRHFSA-N 337.466 2.830 0 50 EFAA C[C@H](O[C@H](C)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1)C(=O)O 634943471 BEEZVHQWTSMVIV-QEEYODRMSA-N 345.439 2.761 0 50 EFAA O=C1NCCCC[C@@H]1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 187963738 LPZZVMFQEFJPMJ-ZDUSSCGKSA-N 340.345 2.522 0 50 EFAA Cc1nc([C@H]2CCCN2CCN2C(=O)c3ccccc3C2=O)cs1 189747596 RSVORGJXWOUZFK-MRXNPFEDSA-N 341.436 2.885 0 50 EFAA Cc1nc(-c2cccc(NC(=O)c3c[nH]c(=O)c4ccccc34)c2)n[nH]1 190087569 ZLNIBDCZYORVAV-UHFFFAOYSA-N 345.362 2.874 0 50 EFAA Cc1ccncc1NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644349959 GLBGADWENVJGAX-FQEVSTJZSA-N 339.439 2.746 0 50 EFAA CNC(=O)CC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 191686431 QLFRAFFOQDDDLO-UHFFFAOYSA-N 348.752 2.643 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1nccc2ccccc12 194553674 BTGSZINVLUGBHP-KRWDZBQOSA-N 332.359 2.887 0 50 EFAA Nc1c(C(=O)OCc2ccc(Cl)nc2)ccnc1Br 763097217 OUGPAIXIMYODGI-UHFFFAOYSA-N 342.580 2.832 0 50 EFAA CC[C@@H]1OCC[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 795459624 BDKZPQCCQVFRDT-SJORKVTESA-N 326.396 2.650 0 50 EFAA CCN1CCC[C@H](N[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)C1 1776006241 QETNNJQQXPXTIN-ZBFHGGJFSA-N 325.497 2.706 0 50 EFAA CC(=O)c1cc(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)cs1 1506401681 FNRRGAIRYLKPIR-AWEZNQCLSA-N 331.393 2.825 0 50 EFAA CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)n[nH]1 1506430143 XTWUZCNNCNVYSS-LLVKDONJSA-N 342.399 2.604 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ncoc3C)CC1)OCC2 1704300391 SQBDFDBLEJWRLV-UHFFFAOYSA-N 342.395 2.696 0 50 EFAA CCC[C@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1NC(C)=O 212620342 VMUYDDHUFBKBEF-HOCLYGCPSA-N 346.406 2.612 0 50 EFAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)n1 11821605 KSZIBNGVVZUJFA-INIZCTEOSA-N 343.471 2.968 0 50 EFAA CC(=O)NC(=S)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 12138766 SKCXYBZGJWHNEW-UHFFFAOYSA-N 327.409 2.796 0 50 EFAA C[C@H](c1ccon1)N(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 12300725 MTFQPAPSNFCDTK-LLVKDONJSA-N 344.346 2.949 0 50 EFAA COc1cccc(C[C@]2(CO)CCCN(Cc3cccnc3)C2)c1 12308104 YITODVMWRVMZRP-HXUWFJFHSA-N 326.440 2.907 0 50 EFAA CC(C)CCC[C@@H]1CN(C(=O)CCN2CCCCCC2=O)CCO1 12713063 VDAJUPFBFXXOCK-QGZVFWFLSA-N 338.492 2.833 0 50 EFAA COC(=O)[C@@H](CCSC)Nc1nncc(-c2ccccc2C)n1 12744255 KZTWIMSHHGBBIM-CYBMUJFWSA-N 332.429 2.554 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NS(C)(=O)=O)c1 13669291 QZCZZWINCRIJML-LBPRGKRZSA-N 330.409 2.650 0 50 EFAA CC(C)N[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 14731741 IOGVZTPJRGESFP-MRXNPFEDSA-N 340.471 2.548 0 50 EFAA C[C@H]1C[C@H](NC(=O)C(C)(C)[C@H]2CCC[C@@H](C(F)(F)F)N2)CCN1C 1857533383 WTYJMZNTVFKPQP-DGAVXFQQSA-N 349.441 2.685 0 50 EFAA Clc1ccccc1-c1cc(CN2CCOC[C@@]23CCOC3)no1 419258013 AOPCCIJLJMTBFZ-KRWDZBQOSA-N 334.803 2.986 0 50 EFAA O=C(CCc1cnccn1)N1CCc2c(Br)cccc21 421659960 ZMESUHNLFBAHNR-UHFFFAOYSA-N 332.201 2.761 0 50 EFAA COc1ccccc1N1CCN(C(=O)Nc2ccnc(C)c2)CC1 119448840 BMELSCUQGOZQIM-UHFFFAOYSA-N 326.400 2.753 0 50 EFAA CCOCc1ccc(-c2noc([C@H]3CCN(C(=O)CC)C3)n2)cc1 328593828 OVPVCBRKOXWINM-HNNXBMFYSA-N 329.400 2.999 0 50 EFAA Fc1ccc(Cn2nnc(Cc3cccc(Br)c3)n2)nc1 328594430 JIDDJHQPBNVAJY-UHFFFAOYSA-N 348.179 2.609 0 50 EFAA NC(=O)NCC(=O)N(Cc1cccc2ccccc12)C1CCCC1 344645252 ZBWQXGUFKCNLTE-UHFFFAOYSA-N 325.412 2.779 0 50 EFAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(Oc2ccccc2)cc1 262229777 NRPANWIXEUOVJB-HNNXBMFYSA-N 341.363 2.795 0 50 EFAA CC(C)(C)c1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cn1 806860695 VOZKHMHFIXZZQF-GOSISDBHSA-N 349.381 2.690 0 50 EFAA C[C@@H]1CCCc2ncc(C(=O)N3CCn4nc(C5CC5)cc4C3)n21 834433868 XHSZJKRWFJQLDW-GFCCVEGCSA-N 325.416 2.510 0 50 EFAA Cc1cc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)no1 874434784 DYBSQNDRYWDMGE-MRXNPFEDSA-N 345.399 2.635 0 50 EFAA Cc1c(NC(=O)[C@@H]2CCCC(=O)N2C)cnn1-c1cccc(Cl)c1 1875270730 HZKYQQSURLJBCH-HNNXBMFYSA-N 346.818 2.784 0 50 EFAA COc1ccc2[nH]cc([C@H](C)CNC(=O)[C@@H](O)c3cccnc3)c2c1 1875302294 JCWLJWVMQAQPHZ-XIKOKIGWSA-N 339.395 2.525 0 50 EFAA CC(C)(C)c1cc(Cn2c(Cc3ccc(F)cc3)noc2=O)no1 1875316041 RQZXHOHHOSSDHC-UHFFFAOYSA-N 331.347 2.900 0 50 EFAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)c1cc[nH]c1C1CC1 1775961047 VDBLOJDZIWVYCG-MRXNPFEDSA-N 326.352 2.553 0 50 EFAA Cc1cc(CN2CCCN(Cc3cccc4c[nH]nc34)CC2)no1 1319815007 MHEXLGIVEIYPNV-UHFFFAOYSA-N 325.416 2.567 0 50 EFAA CCn1nncc1CNC[C@@H]1CCCCN(Cc2ccccc2)C1 418074423 CUOMRFVZETUXGC-SFHVURJKSA-N 327.476 2.690 0 50 EFAA O=C(O)CC1CCN(C[C@H](O)c2ccccc2Br)CC1 846269003 SMZWNDQQUZNNNT-AWEZNQCLSA-N 342.233 2.669 0 50 EFAA O=C(O)c1csc([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 2325769515 NCYSZGSVAHZQIY-LLVKDONJSA-N 336.438 2.852 0 50 EFAA COCc1cc(C2CCN(C(=O)c3cccc(C(=O)O)c3)CC2)no1 2325788388 BXNIUGOQMJUJRG-UHFFFAOYSA-N 344.367 2.539 0 50 EFAA O=C([C@@H]1CCCNC1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 2325789387 MKQCZHRHCLLNQW-CYBMUJFWSA-N 344.846 2.614 0 50 EFAA CO[C@@H](C(=O)Nc1cccnc1OCc1ccccc1)[C@H]1CCCO1 2325797232 AMMOHVYOWBTZSQ-IAGOWNOFSA-N 342.395 2.793 0 50 EFAA O=C(O)[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)O1 2325813067 IGGGUJVVSQVTCM-BARDWOONSA-N 337.803 2.582 0 50 EFAA CCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 210775 SGNUYODZIMTIHE-UHFFFAOYSA-N 342.351 2.751 0 50 EFAA Cn1ccc2ccc(C(=O)N3CC(OCc4ccccc4F)C3)nc21 2356136355 QZQFTZYMCKSQDV-UHFFFAOYSA-N 339.370 2.754 0 50 EFAA COc1cc2c(cc1OC)[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)CC2 2555495 MZMFBUXQGFWLHV-AWEZNQCLSA-N 337.372 2.623 0 50 EFAA CCOC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 2932845 IUSOVMMMVHLAFE-UHFFFAOYSA-N 331.199 2.908 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356163019 PLIODIMKLVMIRZ-HXUWFJFHSA-N 337.423 2.812 0 50 EFAA NC(=O)C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 6729274 NTLVSYUXSGGJGO-UHFFFAOYSA-N 338.407 2.603 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)c2ccnn2C(F)F)s1 55393057 QCZNQSKUMWBYMX-UHFFFAOYSA-N 342.415 2.852 0 50 EFAA C[C@@H](NC(=O)CN1CCN(c2ccccc2F)CC1)c1ccccc1 55562731 GRUJFURGEMGLAU-MRXNPFEDSA-N 341.430 2.825 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)ccc2N1 225620626 DDJBKWGHSHEUDG-NXHRZFHOSA-N 342.439 2.727 0 50 EFAA CSc1cccc(N(C(=O)Cn2cccn2)C2CCN(C)CC2)c1 112247744 UCPRSYBUBHFWRW-UHFFFAOYSA-N 344.484 2.732 0 50 EFAA CC(C)CN1CCN(Cc2cccc3ncccc23)C[C@H]1CCO 106694084 UCOBSXWEMFIBQM-GOSISDBHSA-N 327.472 2.759 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)CCn2c(=O)oc3ccccc32)c1 55271813 FPOCPBVTJRFNOK-HNNXBMFYSA-N 325.412 2.861 0 50 EFAA COc1ccsc1C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 116780739 OSKIQHZOEVLDFK-ZDUSSCGKSA-N 334.445 2.517 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)Cc1cnc2c(C)cccn12 65493071 SNZFQBBRPAQYMQ-HNNXBMFYSA-N 341.411 2.578 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]12 248565454 BPQJYLHMFNLRJG-SOUVJXGZSA-N 327.453 2.543 0 50 EFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)c2onc3ccccc23)s1 20208433 FNUFZYVGZRHAAX-GFCCVEGCSA-N 341.392 2.966 0 50 EFAA C[C@]1(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CCCCO1 67983373 QCRNTZAGKBARMJ-LJQANCHMSA-N 343.402 2.872 0 50 EFAA CCCCCc1nnc(NC(=O)c2ccc3c(c2)OCC(=O)N3)s1 26559559 KQKTVFVHMTUANY-UHFFFAOYSA-N 346.412 2.854 0 50 EFAA Cc1cccnc1C[C@@H](C)NC(=O)CCc1[nH]nc2c1CCCC2 67833631 KCLNYRLHALOGDO-CQSZACIVSA-N 326.444 2.672 0 50 EFAA NC(=O)NCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 71721254 OBITTYXKEGQBQQ-UHFFFAOYSA-N 342.443 2.502 0 50 EFAA C[C@H](Cn1ccnc1)NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 252487300 VHGCJNXOWOJSEI-XYPHTWIQSA-N 346.406 2.630 0 50 EFAA NC(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71767783 BZPSJSRTFKUFPV-CYBMUJFWSA-N 345.226 2.549 0 50 EFAA Cc1cc(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2c(C)nn(C)c2n1 252486063 DEXNPMZBKAWMRO-KCPJHIHWSA-N 329.400 2.555 0 50 EFAA Nc1cc2ccccc2cc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1 375932539 GNIWFKLVYJYGQT-AZUAARDMSA-N 331.419 2.989 0 50 EFAA COc1cccc(-n2cc(CN(C)C(=O)c3c(C)noc3C)cn2)c1 72430989 PQOBCXAVPGBQPM-UHFFFAOYSA-N 340.383 2.758 0 50 EFAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cn(C2CCCCC2)nn1 11760865 BTEWXUJXMVLFNR-MAUKXSAKSA-N 345.491 2.778 0 50 EFAA Cc1csc([C@@H]2CN(C(=O)c3scnc3C3CC3)CCO2)n1 328763016 ZDZAJVORXMPDGA-NSHDSACASA-N 335.454 2.999 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC(c4ncc[nH]4)CC3)c(F)n12 72431713 WJLCDRZZAUHLML-UHFFFAOYSA-N 327.363 2.525 0 50 EFAA C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(-n3ccnc3)nc2)C1 363209370 NXIRUDSPZBTXJG-GJZGRUSLSA-N 327.432 2.893 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)CCc2ccccc2)c1 282377876 GLYCEWIFZQOKCL-IEBWSBKVSA-N 325.408 2.962 0 50 EFAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCNCC2)cc1 261643875 DXUOPBCMGLPHAU-UHFFFAOYSA-N 348.450 2.953 0 50 EFAA COc1ccc(CN(C)C(=O)CCc2ccnn2C)c2cccnc12 216322301 DYUAEPJHRQCOQP-UHFFFAOYSA-N 338.411 2.568 0 50 EFAA Cc1cccc(C)c1NC(=O)N[C@@H]1CCCN(C2CCN(C)CC2)C1 72132052 ZBSOQJRBOUMJQQ-QGZVFWFLSA-N 344.503 2.984 0 50 EFAA CC(C)n1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cn1 77357842 BWXWBWJAQWOLNU-KRWDZBQOSA-N 328.416 2.680 0 50 EFAA C[C@@H](NC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(-c2cccnc2)cc1 282693971 RSEAXWSPQRAICS-JLTOFOAXSA-N 337.423 2.842 0 50 EFAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)[C@H]2CCO[C@H]21 219942575 XGHQULWXTKWYLB-BVPBIZIASA-N 342.395 2.519 0 50 EFAA CCC(CC)n1nc(C)cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 494732228 XTDCBEOCOKHNLN-OAHLLOKOSA-N 348.491 2.882 0 50 EFAA O=S(=O)(NC[C@@H]1CCCCC1(F)F)c1ccc2c(c1)CCO2 332595414 NCKVXOJNMPUQNF-LBPRGKRZSA-N 331.384 2.725 0 50 EFAA O=S1(=O)CCN(C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 215884105 LQSLOWCLZXDYRR-IBGZPJMESA-N 341.476 2.723 0 50 EFAA CCc1c(C(=O)N2CCC[C@H]([C@H](C)N)C2)cnn1Cc1ccccc1 237096123 HPIUPZXDZVSGBB-RDJZCZTQSA-N 340.471 2.693 0 50 EFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2csc(Br)c2)C1 237195542 WLQWWHSHNXRVAQ-ITKZLYELSA-N 343.290 2.982 0 50 EFAA CSCC[C@@H](O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 219990279 WUBLKTHRNBDFHG-MRXNPFEDSA-N 325.449 2.721 0 50 EFAA Cc1cc(NCCc2nc(C)c3c(n2)CCCC3)n2nc(C)cc2n1 72476299 FONBYZKMUZTUDX-UHFFFAOYSA-N 336.443 2.978 0 50 EFAA C/C(=C\C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)c1cccc(F)c1 286228965 KHLIJZZZIASJCO-HCEXIOJSSA-N 333.403 2.617 0 50 EFAA Cc1c(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)oc2ccccc12 286615123 BIPGFHDVCCHNKP-HUUCEWRRSA-N 341.411 2.503 0 50 EFAA Cc1nc[nH]c1CSCCNC(=O)c1ccc2c(c1)CCCO2 426518621 AKKQLYGELGJWAL-UHFFFAOYSA-N 331.441 2.706 0 50 EFAA COC(C)(C)CNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 426361637 CLFKPFCZEXUHBU-GOSISDBHSA-N 348.487 2.827 0 50 EFAA C[C@@H](O)c1cn(C2CCN(c3nc4ccccc4s3)CC2)nn1 19731991 BGQGKLIBMGVMDO-LLVKDONJSA-N 329.429 2.783 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@H]1Cn1ccnc1C 177171070 TWQUMBRBZCSMSN-KRWDZBQOSA-N 327.428 2.824 0 50 EFAA CC[C@@H](NC(=O)Cn1c(C)cc(=O)c2ccccc21)c1ccncc1 220043959 MROQQPRIWDBPMI-QGZVFWFLSA-N 335.407 2.972 0 50 EFAA O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]nc1-c1cccs1 426477448 USQBJHGEPPWSCB-UHFFFAOYSA-N 337.408 2.987 0 50 EFAA Cn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cccc21 225426801 PLBPAHNVTHUNBW-CABCVRRESA-N 347.418 2.600 0 50 EFAA biogenic Cc1cc(F)ccc1NC(=O)N1CCC(O)(CN2CCCC2)CC1 97813612 RACBFDWSKZVFID-UHFFFAOYSA-N 335.423 2.589 0 50 EFAA CCSc1ncc(CN2CCC([C@H](O)c3ccccn3)CC2)cn1 97674287 PZNQTRSGMYROEJ-KRWDZBQOSA-N 344.484 2.929 0 50 EFAA CCOCc1nc(-c2cn3ccsc3n2)n([C@@H]2CCCC[C@H]2O)n1 95391417 XEKSCQOJIVHDHA-CHWSQXEVSA-N 347.444 2.667 0 50 EFAA C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 95499657 BLZXVSNRELFKOP-LBPRGKRZSA-N 345.472 2.597 0 50 EFAA Cc1cc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)ccn1 179830052 SCKWRYVXWDLNPH-UHFFFAOYSA-N 344.440 2.832 0 50 EFAA COC(=O)c1ccc(F)c(-c2ccccc2S(=O)(=O)N(C)C)c1 97757189 RAWCYCINDKGMRM-UHFFFAOYSA-N 337.372 2.530 0 50 EFAA CCn1ccnc1C1CCN(C(=O)COc2ccccc2C)CC1 91964597 PPZUMIULMZYOHD-UHFFFAOYSA-N 327.428 2.996 0 50 EFAA CCC1=NO[C@H](CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)C1 244724166 MOZAQIWFVWWGIF-IBGZPJMESA-N 343.471 2.912 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCO[C@@H](Cc2ccccc2)C1 181415574 ZVIKNCPNYPQNJZ-INIZCTEOSA-N 336.391 2.840 0 50 EFAA Cc1nccn1CCN1CCC([C@@H](O)CCc2ccccc2)CC1 244674028 IABNDGBVMPKKIY-FQEVSTJZSA-N 327.472 2.897 0 50 EFAA Cc1nc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c2ccsc2n1 252527909 DQDFMIMCDZYAMW-MPKXVKKWSA-N 329.429 2.657 0 50 EFAA CCn1ncc(-c2ccc([C@H](C)N3CCOCC3)cc2)c1C(=O)O 534666221 UAVFBCPKDHCAGD-ZDUSSCGKSA-N 329.400 2.661 0 50 EFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)O)C3)c1C 299778282 GHETWOURWLBGGZ-JTQLQIEISA-N 344.392 2.842 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCN1CCCC1=O 824751188 PHXQHOJKFKELBB-KRWDZBQOSA-N 330.428 2.591 0 50 EFAA CC1(C)SC[C@H](C(=O)NCc2ccc3sccc3c2)NC1=O 670457282 UXCADOQBNHBYEE-GFCCVEGCSA-N 334.466 2.528 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)n2)C1 1358074159 KLNYEWFWIJHYCC-HNNXBMFYSA-N 333.395 2.507 0 50 EFAA COc1ccc2oc(CNC(=O)Cc3csc(C(C)=O)c3)nc2c1 952872862 QMOKSOFNOCMWMJ-UHFFFAOYSA-N 344.392 2.959 0 50 EFAA Cc1ccccc1[C@@H]1CCN(CCNCc2nc(C)c(C)n2C)C1 952979648 OAHGUBYEPJUFRN-GOSISDBHSA-N 326.488 2.924 0 50 EFAA CCOc1ccc(CCCNC(=O)CCN2CCCCCC2=O)cc1 952963233 JESIRBHCEIIVFZ-UHFFFAOYSA-N 346.471 2.927 0 50 EFAA CCCCOc1ccc(C(=O)N2CC[C@H](C(=O)O)C2)cc1OCC 269211806 WKURKAHJXGPTIF-AWEZNQCLSA-N 335.400 2.811 0 50 EFAA CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccn2)n1 408512889 GVPWOBIKIFINTK-GOEBONIOSA-N 344.484 2.737 0 50 EFAA COc1ccc(C)cc1NCCC(=O)N1CCCO[C@@H]2CCC[C@@H]21 169988329 IBDXXPJETSMZSK-FUHWJXTLSA-N 332.444 2.976 0 50 EFAA Cc1ccc(-c2noc(N3CCC(O)(C(F)(F)F)CC3)n2)cc1 272165002 BEGPDPNJMAPECG-UHFFFAOYSA-N 327.306 2.939 0 50 EFAA CC(C)C1CCC(N2CCN(Cc3nnc4n3CCCC4)CC2)CC1 170657177 ZUOMZSODTMFVMS-UHFFFAOYSA-N 345.535 2.947 0 50 EFAA Cc1cc(NC(=O)NCC2CCN(CC(F)(F)F)CC2)ccn1 186736283 KHRNWXLSQYGDDE-UHFFFAOYSA-N 330.354 2.786 0 50 EFAA C[S@](=O)c1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 190220398 ADOUKPRAQRRYPA-MWTRTKDXSA-N 336.457 2.847 0 50 EFAA Cn1c(CN2CCC(c3ccncc3)CC2)nc2ccccc2c1=O 191676125 ATVBPJCDSRXOPH-UHFFFAOYSA-N 334.423 2.708 0 50 EFAA CC(C)(CNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1 191758096 KKTYJYPXNGZMPW-LLVKDONJSA-N 342.361 2.625 0 50 EFAA O=C1Cc2ccc(CC(=O)N(c3ccccc3)[C@@H]3CCOC3)cc2N1 192075465 RJEXMPSHWOGJKP-QGZVFWFLSA-N 336.391 2.546 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1ccc(N2CCCCC2)nc1 667938242 CZKYHWLNVGWHOD-MAUKXSAKSA-N 341.459 2.995 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)CSc2nnc(C)o2)c1 1506409382 GXOHFFCENPEDLI-AWEZNQCLSA-N 333.413 2.842 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3cc(Cl)ccc3F)C[C@@H]12 1529134070 ZVBFICWAPOZDJM-WBVHZDCISA-N 340.826 2.850 0 50 EFAA Cc1cc(F)cc(C(=O)N2CCCN(CCCCCCO)CC2)c1 1529146023 UGTTWSCUFXRQLJ-UHFFFAOYSA-N 336.451 2.835 0 50 EFAA Cc1ccc2nc(N3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cc(C)c2c1 1704326473 XRRIAIPEGDWKPB-BEFAXECRSA-N 336.439 2.923 0 50 EFAA CC(C)C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)CC[C@]1(C)O 212970027 FZQJSUNEJAKQEO-CJNGLKHVSA-N 327.856 2.572 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)C[C@H]3CCC(=O)N(C)C3)c2)n1 1800414628 VNGHSUDZBZYPEM-GOSISDBHSA-N 340.471 2.789 0 50 EFAA CC(C)[C@H](NC(=O)CCc1cc(Br)cs1)C(=O)O 236681468 NODLFVYVVJDTMV-NSHDSACASA-N 334.235 2.669 0 50 EFAA COc1cc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc(Cl)c1OC 1772701149 IVSUBTLFZKVRMT-AAEUAGOBSA-N 338.835 2.552 0 50 EFAA O=C(O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 5896573 ODDZGARBAKEAEN-XYOKQWHBSA-N 336.141 2.898 0 50 EFAA COc1ccc(CNCC(C)C)cc1OC[C@H](O)CN(C)C(C)C 12304030 CNINNGCTDRIZAC-QGZVFWFLSA-N 338.492 2.521 0 50 EFAA Cc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1C 16649798 VMOJPFMQZIVMNX-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA CN(CCO)C1CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 162609575 DMAUTOPRUCEMLE-UHFFFAOYSA-N 347.503 2.582 0 50 EFAA CCc1nccc(-c2nccn2-c2ccc(CN3CCOCC3)cc2)n1 1857717260 ZWMFVPCWXZERIJ-UHFFFAOYSA-N 349.438 2.724 0 50 EFAA C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@@H]([C@@H](C)O)C1 408425954 IFGCMTBKGMUZHA-GIPNMCIBSA-N 335.828 2.649 0 50 EFAA CCN1CCC[C@@H](CN(C)C(=O)c2ccoc2)[C@@H]1c1cnn(C)c1 328645500 ZSCIWTWNVACZIG-WMLDXEAASA-N 330.432 2.558 0 50 EFAA CC(C)c1noc([C@@H](N[C@H](C)CCn2cccn2)C2CCOCC2)n1 328617232 CMZUXDXDSDWGEV-ZBFHGGJFSA-N 347.463 2.926 0 50 EFAA COc1ccccc1C[C@H]1CCCN1C(=O)CCc1nc(C)no1 123558267 GKQHQGZOOIWWDJ-OAHLLOKOSA-N 329.400 2.553 0 50 EFAA Cc1cc(Cn2cnc3c(-c4ccccc4)nsc3c2=O)ncn1 644104139 NDHYVFIRSBUCOD-UHFFFAOYSA-N 335.392 2.667 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)N2CCCc3n[nH]cc32)c1 451492769 QPBGWNLGODQNSH-UHFFFAOYSA-N 341.289 2.910 0 50 EFAA O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCn2cncc2C1 252477948 YJEUKGVPSZHVPK-VDZJLULYSA-N 339.439 2.730 0 50 EFAA O=C(c1cscn1)N1CCOc2ccc(Br)cc2C1 252508180 XFRAOVWHKMMIMH-UHFFFAOYSA-N 339.214 2.940 0 50 EFAA Fc1cnc(N2CCO[C@H](c3ccccc3Br)C2)nc1 253429881 HAPRAQWJWBAWJP-ZDUSSCGKSA-N 338.180 2.956 0 50 EFAA C[C@H](CNC(=O)c1cc(Br)ccc1F)Cn1ccnc1 153620815 KAFQIYSPEOIXNC-SNVBAGLBSA-N 340.196 2.851 0 50 EFAA O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC2(CCOC2=O)CC1 372452420 ZZJHNQCRHZDPDO-MRXNPFEDSA-N 346.402 2.942 0 50 EFAA CC1=NN(c2ccc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1 267059688 GRIHOYSCBKMGIC-RTBURBONSA-N 335.407 2.661 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](NCCn2ccnc2)C12CCCC2 831022018 QGJFUOBHWZOHLC-HNNXBMFYSA-N 334.464 2.795 0 50 EFAA COC(=O)Cc1ccc(OC(=O)[C@@H]2CCN(c3ccccc3)C2)cc1 835053746 XRYHAFZDVYYPHK-MRXNPFEDSA-N 339.391 2.834 0 50 EFAA N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2csc(C3CC3)n2)C1 846698368 FMHNLFJFXMZYLE-SNPRPXQTSA-N 335.473 2.522 0 50 EFAA C[C@H](Nc1ccc2nnc(C(F)F)n2n1)c1cc2n(n1)CCCC2 952881967 KVBZEIPNXCBOMX-VIFPVBQESA-N 333.346 2.768 0 50 EFAA COc1ccc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c(F)c1 1875395035 HQNVVSBDFQFPQP-WDEREUQCSA-N 347.390 2.552 0 50 EFAA Cc1cc2c(N[C@@H]3C[C@@H](O)[C@@H]3n3cccn3)nc(C3CC3)nc2s1 1875404225 ACPGLTZTNGJWSA-MGPQQGTHSA-N 341.440 2.860 0 50 EFAA CC(C)(C(=O)NC[C@H](O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 880832445 GXITXNRBQZCINZ-UONOGXRCSA-N 345.361 2.639 0 50 EFAA CCn1cc(C(=O)N[C@@H](C)c2ccccn2)c(C2CCOCC2)n1 886091347 JSXMCEIWNYHZMD-ZDUSSCGKSA-N 328.416 2.683 0 50 EFAA CCO[C@@]1(c2nnc(COc3ccc(F)cc3F)o2)CCOC1 886082091 ABFFSISFSYNGNU-HNNXBMFYSA-N 326.299 2.579 0 50 EFAA C[C@@H](NC(=O)NCc1ncc(Br)cn1)c1ccsc1 894654890 FWNWINNLTPEFOJ-MRVPVSSYSA-N 341.234 2.861 0 50 EFAA CN(C)c1cc(C(=O)N2CCC(C3(C(F)(F)F)N=N3)CC2)ccn1 1775990816 AORJKBHRXBWWOD-UHFFFAOYSA-N 341.337 2.724 0 50 EFAA COc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1 13727035 PAFRKYDLWJKTNI-UHFFFAOYSA-N 336.395 2.984 0 50 EFAA CC1(C)CN(Cc2cccc(C(F)(F)F)n2)C[C@H](CC(=O)O)O1 2325790247 AFJPHJMYKSLQMQ-NSHDSACASA-N 332.322 2.555 0 50 EFAA O=C(N[C@H]1CCC[C@@H]1c1nn[nH]n1)c1ccccc1SC(F)F 2325809026 WJAOBXRAYXQBSR-WPRPVWTQSA-N 339.371 2.581 0 50 EFAA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)N(C)Cc2ccccn2)cn1 2325814958 GKHUJGLBULGVTB-SJORKVTESA-N 328.416 2.595 0 50 EFAA Cc1csc([C@@H](NC(=O)Nc2cnc3ccnn3c2)C2CC2)n1 888917206 ZJYFBWXJMQAEHV-ZDUSSCGKSA-N 328.401 2.767 0 50 EFAA COc1cccc([C@H](CC(=O)O)NC(=O)c2cc(C)n(C)c2C)c1 908853473 GCXBFGZBCNQFHN-INIZCTEOSA-N 330.384 2.596 0 50 EFAA O=C(Nc1ccc2nccnc2c1)N1CCN(c2ccccc2)CC1 303143 LFVDMJRIVMZKDT-UHFFFAOYSA-N 333.395 2.984 0 50 EFAA COc1cccc(COC(=O)Cn2c(=O)sc3ccccc32)c1 404856 PSUOVTGNKTTZJY-UHFFFAOYSA-N 329.377 2.815 0 50 EFAA COCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2429445 HEWOSHBFBBKROJ-UHFFFAOYSA-N 345.424 2.504 0 50 EFAA CCOC(=O)CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3 8670708 GBFAEBIXERVBSM-UHFFFAOYSA-N 338.454 2.909 0 50 EFAA COc1cccc(C(=O)N(C)C)c1OC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 225448717 XXHRJVZTIGJQOX-UOVKNHIHSA-N 329.396 2.595 0 50 EFAA CCN(CCC(=O)O)C(=O)c1ccccc1C(=O)c1cccs1 225483149 YGWXUVFGAXEDHU-UHFFFAOYSA-N 331.393 2.916 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N(Cc1ccco1)C[C@H]1CCCO1 246316102 DYBYQRRMVNQNHY-TVFCKZIOSA-N 348.443 2.928 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNCc2cc(Cl)cc3c2OCC3)cn1 414532370 VABOHJCRVLWGFK-SCLBCKFNSA-N 347.846 2.876 0 50 EFAA CN(C(C1CC1)C1CC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23251673 YEBAJZUGZCEMHT-UXHICEINSA-N 326.484 2.844 0 50 EFAA c1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ccc3c(c2)OCCO3)nc1 67822157 NIPKPMXWPGRYMI-HXUWFJFHSA-N 348.406 2.724 0 50 EFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2N)CC1 67796647 PDSBUXYMSNMESP-UHFFFAOYSA-N 339.823 2.615 0 50 EFAA Cc1cccc(OCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)c1 424040733 GHIYYMOVCUSWMQ-MOPGFXCFSA-N 342.414 2.856 0 50 EFAA CC[C@]1(CO)CCCN1C(=O)CCc1cccc(OC(F)F)c1 424804053 ORBODWZUNGVHPV-QGZVFWFLSA-N 327.371 2.984 0 50 EFAA CCn1cc(C(=O)NC[C@@H]2CCN(Cc3sccc3C)C2)cn1 67956201 OVBUGLWCNSRLSV-AWEZNQCLSA-N 332.473 2.525 0 50 EFAA CCCCO[C@H](C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 252511760 KJMFFHXTJJJRJD-HFTRVMKXSA-N 332.444 2.527 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCN3CCC[C@@H]3C2)C12CCCC2 252512890 WNVOXDLKZASPKB-VVLHAWIVSA-N 335.492 2.650 0 50 EFAA CCN(C(=O)c1cc(C)nc2c1cnn2C)[C@@H]1CCOC(C)(C)C1 354599915 MWOJXMYTEAMPMK-CYBMUJFWSA-N 330.432 2.696 0 50 EFAA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)cc1 2597336 PIQSBWMNNDGWPH-QMMMGPOBSA-N 340.095 2.643 0 50 EFAA CCn1c(CCNC(=O)c2ccn(C(F)F)n2)nc2ccccc21 219072614 ULSAFFCRHHDOCQ-UHFFFAOYSA-N 333.342 2.620 0 50 EFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCN2CCCC[C@H]12 77380445 ZQTROJDAYDWWNW-MAUKXSAKSA-N 340.471 2.619 0 50 EFAA COc1cccc(CCN=c2nc(-c3ccncc3)[nH]c(C)c2C)n1 441812511 JPNJJHBSDZOJGK-UHFFFAOYSA-N 335.411 2.636 0 50 EFAA CC(=O)Nc1ccc(-c2nccn2CC2(N(C)C)CCOCC2)cc1 77456797 BYLXZGLSWSMHIM-UHFFFAOYSA-N 342.443 2.619 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@](O)(CN3CCCC3)C2)ccc1Cl 77301222 MFZIEYLHMVMZLP-GOSISDBHSA-N 336.863 2.711 0 50 EFAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)OC[C@H]3CCCCO3)C2)n1 257365844 UORUNVCYRAVGTQ-RCCFBDPRSA-N 349.475 2.638 0 50 EFAA CSCCc1ccc(NC(=O)N2CC[S@](=O)CC[C@H]2C)cc1 241774162 RNPIZQXINFRVKA-MCMMXHMISA-N 340.514 2.967 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccnnc2)C1 155190041 MMSKLWOSFVDZLU-ZDUSSCGKSA-N 330.819 2.695 0 50 EFAA C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC(C)(C)O1 127568207 KZVWODWVKSDCIU-QMMMGPOBSA-N 337.367 2.871 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 156148389 ZWMSMDMFLDDMHK-WDEREUQCSA-N 331.243 2.958 0 50 EFAA Cn1c(CN2CC[C@H](C(=O)N3CCCC3)C2)nc2cc(Cl)ccc21 376552993 LJTZTWYQQOCJPT-ZDUSSCGKSA-N 346.862 2.671 0 50 EFAA COc1ccnc(N2CCN(Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)n1 129595455 WRUBLDWGELPJNY-DZGCQCFKSA-N 328.416 2.524 0 50 EFAA Cc1ccc2c(=O)cc(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)oc2c1 219316907 FYKWXSDUNHMUMM-JTQLQIEISA-N 325.368 2.932 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)O1 72167869 QIAUBAVKUOPNSK-LJQANCHMSA-N 341.411 2.592 0 50 EFAA Cn1cc(CN2CCCN(Cc3cnn(C)c3)c3ccccc32)cn1 173480022 XFYMEQSVPSTRNY-UHFFFAOYSA-N 336.443 2.571 0 50 EFAA O[C@@H](COc1cccc2ccccc12)CN1CCCN2CCC[C@H]2C1 240668182 HMTSHPOHAHXROI-RBUKOAKNSA-N 340.467 2.750 0 50 EFAA O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc21 174808619 UHBBNJZFLACBPT-CQSZACIVSA-N 349.346 2.920 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 82120602 XNKWYSPFJXXEDF-ZDUSSCGKSA-N 337.379 2.546 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289188308 UCIORURILVPHCP-AWEZNQCLSA-N 331.420 2.829 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)NC[C@@H]2CCCCN2C)C1 426722690 TWJZABQLDGQXAG-INIZCTEOSA-N 331.460 2.560 0 50 EFAA CCc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)[nH]1 426514655 MOCBMMHDJHJDBQ-MRXNPFEDSA-N 327.428 2.677 0 50 EFAA Cc1cc(C)n(CCCC(=O)N2CCC([C@H](O)CC(C)C)CC2)n1 82107334 ZOGABMUGRLDAAD-GOSISDBHSA-N 335.492 2.926 0 50 EFAA O=C(N[C@H]1CC[C@H](O)CC1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 426589778 NBANDASBOXVJAQ-XEZPLFJOSA-N 346.406 2.852 0 50 EFAA CCCN1CCC(CC(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 95383585 JYMDUKBSYDWKKO-UHFFFAOYSA-N 332.444 2.545 0 50 EFAA Cc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)cc1C 95356227 UALLJXJOIPYIEB-SFHVURJKSA-N 344.455 2.764 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Cl)C1 291147163 XBDQFDSYDNKKKA-SOUVJXGZSA-N 336.863 2.928 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCCCN(C)C1CCCC1 426402122 WTKNENOBQNGBFW-UHFFFAOYSA-N 347.507 2.694 0 50 EFAA Cc1cc(C(=O)N[C@H](CCO)c2ccc(C(C)C)cc2)c(=O)[nH]c1C 96164346 USOSGXJXBBLOSK-GOSISDBHSA-N 342.439 2.969 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)c1cnc(-c2cccnc2)nc1 95374981 ZODKXPURFUJAFW-MRXNPFEDSA-N 326.400 2.570 0 50 EFAA COCC[C@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1C 92082006 VRYPQQSHZOYNGQ-SJKOYZFVSA-N 343.826 2.658 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(Cl)s2)on1 95365985 MEDVKCWWCQAWFX-KOLCDFICSA-N 326.805 2.685 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)=O)CC2)C1 91452609 OXOWLQBIMPWRCA-GOSISDBHSA-N 328.456 2.694 0 50 EFAA CS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)ccn2)cc1 97732510 OLACNQBWILJGGZ-UHFFFAOYSA-N 344.436 2.778 0 50 EFAA O=C(NCCCn1nccc1C1CC1)c1c[nH]nc1-c1ccccc1 91625649 CWLSZTNUMZUEAD-UHFFFAOYSA-N 335.411 2.971 0 50 EFAA O[C@H]1CCCOC12CCN(Cc1ccc(C(F)(F)F)nc1)CC2 91587218 VTPPDJKJDJGCMI-AWEZNQCLSA-N 330.350 2.606 0 50 EFAA O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCCC[C@H]1c1ncc[nH]1 180873004 HWHMYXVUQYIOIR-GJZGRUSLSA-N 348.447 2.722 0 50 EFAA CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3c(c2=O)CCC3)cc1 184089443 CSMIEGSPWNVGID-CYBMUJFWSA-N 325.412 2.884 0 50 EFAA Cc1ccc(-n2cc(C(=O)N[C@H]3CCCO[C@@H]3CC(C)C)nn2)cc1 184796606 XBPWFBSKRJGCNT-FUHWJXTLSA-N 342.443 2.899 0 50 EFAA Cc1nccn1CC1(CNC(=O)Nc2ccc3c(c2)ncn3C)CC1 299790355 BQLKIUIEUBULKA-UHFFFAOYSA-N 338.415 2.680 0 50 EFAA COc1ccccc1CN1C[C@H](c2n[nH]c(-c3ccccc3)n2)CC1=O 824819777 WUGPHCGYNJVLPB-MRXNPFEDSA-N 348.406 2.996 0 50 EFAA CC(C)C(=O)N1CCC[C@@H](n2cnc3cccc(Cl)c3c2=O)C1 670437737 NROUAQQDHWTXHB-GFCCVEGCSA-N 333.819 2.869 0 50 EFAA CCc1cc(CN2CCC(c3nnc4n3CCCCC4)CC2)on1 670472996 ZCKYEIYIWSHGTO-UHFFFAOYSA-N 329.448 2.935 0 50 EFAA Cc1cc(O)nc(N2CCC(Nc3ncnc4ccsc34)CC2)n1 1337984134 SCVQMTZQZJJKSM-UHFFFAOYSA-N 342.428 2.576 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](C)Cn1cccn1 952860363 NJMRTZCUYAOTSK-HNNXBMFYSA-N 340.427 2.702 0 50 EFAA O=C(/C=C/c1cncc(O)c1)N1CCC([C@@H](O)c2ccccc2)CC1 305857400 LASPIGACTLLQRW-YJJPMGAVSA-N 338.407 2.773 0 50 EFAA O=S1(=O)CCC(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 170076471 VTBBYZMIPNKYJS-SFHVURJKSA-N 348.443 2.725 0 50 EFAA C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@@H]1C=C[C@H](CO)C1 272580450 QSXNPYVWKWUHCW-SGMGOOAPSA-N 342.361 2.873 0 50 EFAA Cn1c([C@H]2CCCN2Cc2nc(C3CC3)no2)nc2c1CCCC2 276008759 QAOPDENJXJDQLN-OAHLLOKOSA-N 327.432 2.896 0 50 EFAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1cnn(C)c1 187055599 RJWXVNZOJXNIKG-LRDDRELGSA-N 333.819 2.605 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c2cccnc2O1 682796537 DKCHSJSVFFNDSZ-WECGXBHGSA-N 342.317 2.551 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 188270781 BRICZWGMDDSUGV-UKRRQHHQSA-N 333.457 2.745 0 50 EFAA CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2C[C@H](F)CN2)cc1 188534633 HHYKJQQSDVTVPB-DOTOQJQBSA-N 336.451 2.815 0 50 EFAA CC(C)n1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cn1 189579465 GOJSWDRIVQXUIB-UHFFFAOYSA-N 335.791 2.819 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc3c2OCC3(C)C)C1 644121767 ZGYKVHYXPJPDEK-DOMZBBRYSA-N 341.411 2.682 0 50 EFAA C[C@H](CO)C1CCN(C(=O)c2cc(O)ccc2C(F)(F)F)CC1 652855097 BJPUZWWYJDYAIZ-SNVBAGLBSA-N 331.334 2.892 0 50 EFAA CCn1c(COC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 670072755 QBMDDARBRYLJFX-JKSUJKDBSA-N 335.496 2.535 0 50 EFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 192897 WLXKXWZVIUKERG-UHFFFAOYSA-N 346.452 2.647 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2c(C)c(-c3ccccc3)nn2C)CC1 1506405190 CTURTVOUCPJLLJ-UHFFFAOYSA-N 340.427 2.593 0 50 EFAA CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)NC1=S 202537 KXJSKXBOGBSVFH-GDNBJRDFSA-N 342.420 2.935 0 50 EFAA O=C(NCCc1ncc[nH]1)c1cc(Cl)cc(F)c1Br 225810474 ISDDTKQADYDZJQ-UHFFFAOYSA-N 346.587 2.937 0 50 EFAA O=C(Cc1cccnc1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704298687 LFRUUVYNRNUEBH-LMNJBCLMSA-N 336.435 2.770 0 50 EFAA CSC[C@H](C)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 12300265 OIZGBLGBANPPHS-NSHDSACASA-N 331.441 2.915 0 50 EFAA CCN(CC)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14543760 DZKMRAWFLKAASM-INIZCTEOSA-N 346.519 2.974 0 50 EFAA COCCN1CCC[C@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C1=O 15064698 YMKMEKBUWLGMBB-WLMDGNKMSA-N 346.446 2.800 0 50 EFAA Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 169809500 HYYZEQOLPICLDG-UHFFFAOYSA-N 332.303 2.727 0 50 EFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1conc1-c1ccccc1 1875250963 GUGIATVTDMQPOJ-SJLPKXTDSA-N 349.390 2.724 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2cncc(Br)c2)n[nH]1 120275961 UPSJENRECNGCJQ-MRVPVSSYSA-N 338.209 2.628 0 50 EFAA COc1cccc([C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)c1 120329056 LORPRGRESRHGDD-DOMZBBRYSA-N 347.440 2.552 0 50 EFAA C[C@@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@@H]1COc2ccccc21 237578563 CEDHGSFTFWAHNS-DYVFJYSZSA-N 339.391 2.998 0 50 EFAA C[C@@]1(C2CCN(Cc3cc4ccccc4s3)CC2)NC(=O)NC1=O 12124790 HZFVDKAITSSHAA-SFHVURJKSA-N 343.452 2.711 0 50 EFAA C[C@H](Nc1ccc(OCC(N)=O)cc1)c1nc(-c2ccccc2)no1 130195419 FRTAGUMFDJMAFC-LBPRGKRZSA-N 338.367 2.774 0 50 EFAA O[C@H](CN1CCN(Cc2cscn2)CC1)c1cc2ccccc2o1 815032142 CHOGDYZNORINSH-MRXNPFEDSA-N 343.452 2.741 0 50 EFAA O=C(c1nccc2cccnc12)N1CCC[C@@](CO)(c2ccccc2)C1 935851891 ZTAFPYFYWQAAKL-OAQYLSRUSA-N 347.418 2.796 0 50 EFAA CC[C@@]1(C)CCCN(Cc2nc3ncc(Br)cn3n2)C1 952994235 NMGRUQSFFPCMAI-AWEZNQCLSA-N 338.253 2.899 0 50 EFAA CC(C)[C@H](C(=O)O)N(Cc1ccc(Cl)cc1)Cc1cn(C)nn1 1875283197 JHDWEMPOEXRGMV-OAHLLOKOSA-N 336.823 2.580 0 50 EFAA O=C(NCc1cccnc1)c1cc(Cl)nn1-c1ncccc1Cl 1875342592 ZEDJMRIUPUHUKN-UHFFFAOYSA-N 348.193 2.899 0 50 EFAA Cc1cccc(-c2nc(CC3CCC3)n([C@H]3CCS(=O)(=O)C3)n2)c1 1875348005 FKUXUDLNFXKVPX-INIZCTEOSA-N 345.468 2.956 0 50 EFAA O=C(O)C[C@H]1CCN(C(=O)c2ccc(OC(F)F)cn2)C2(CC2)C1 1875305371 BRJRKRQUEVXJPE-SNVBAGLBSA-N 340.326 2.543 0 50 EFAA COc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)ccc1Cl 886085743 MXIRXKNSEMAODG-ABAIWWIYSA-N 335.791 2.579 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cnc1C 893812340 JVKRNIQVTLSBPT-OAHLLOKOSA-N 330.409 2.598 0 50 EFAA Cc1ccc2nnc(CNC(=O)Nc3nc4ccccc4s3)n2c1 1776006809 WFPRFKRSHHHNPW-UHFFFAOYSA-N 338.396 2.969 0 50 EFAA COC(=O)c1ccncc1C(=O)OCCSc1ccc(F)cc1 2325875033 DWGCXMMVNGJONT-UHFFFAOYSA-N 335.356 2.956 0 50 EFAA O=C(Nc1cnn2cccnc12)c1cc2c(nc1Cl)CCCC2 2325893479 NWMHEPVFYSCSDV-UHFFFAOYSA-N 327.775 2.909 0 50 EFAA COc1ccc(C[C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)c(C)c1OC 866444738 CKKKSUPGSWJYCF-QYEZIZHZSA-N 331.456 2.956 0 50 EFAA O=C(c1n[nH]c2ccccc2c1=O)N(Cc1ccco1)Cc1ccco1 110050032 MPAXZOKUCGNHPA-UHFFFAOYSA-N 349.346 2.952 0 50 EFAA Fc1cccnc1N1CC[C@H](N[C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 225353564 ZNCQYVFPSFRPIC-LISAXSMJSA-N 333.451 2.984 0 50 EFAA CC[C@H](C(=O)NCC(F)F)n1nc(C(F)(F)F)c2c1CCC2 20607583 NYJQGCKOQDMTME-MRVPVSSYSA-N 325.281 2.723 0 50 EFAA CCOc1ccccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O 77663 KJDGWDOKFNAOLF-OAHLLOKOSA-N 325.368 2.847 0 50 EFAA aggregator O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl)[C@@H]1CCCO1 2772719 NQTBZIPRGRLTCL-KGLIPLIRSA-N 338.791 2.575 0 50 EFAA CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10287967 VYBZUXZWHPTNRX-GFCCVEGCSA-N 348.424 2.764 0 50 EFAA Cn1cnnc1S[C@@H](C(=O)NCc1ccccc1)c1ccccc1 8569847 CAKNGNQGCRKFOY-MRXNPFEDSA-N 338.436 2.965 0 50 EFAA COc1ccccc1NC(=O)NC1CCN(Cc2ccc[nH]2)CC1 225413532 SHZFPOHZFNBALD-UHFFFAOYSA-N 328.416 2.809 0 50 EFAA CC(=O)Nc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Cl 101318225 UQYJMFICPDIHSF-MISXLKTNSA-N 348.786 2.760 0 50 EFAA C[C@H]1C[C@@H]1C(=O)N(C)[C@H](CNC(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 246955912 KUBGQIFXROKLKF-JAXWNDFKSA-N 332.419 2.753 0 50 EFAA OCC[C@H]1CN(Cc2ccncc2)CCN1CCCc1ccccc1 20271515 LLESEOSJQAJNMM-NRFANRHFSA-N 339.483 2.583 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101289243 IEOQXEJBBMFLPJ-GREKMHCPSA-N 346.814 2.618 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(OC)c1 248249420 LEEYFNVPJXASOJ-NILFDRSVSA-N 333.384 2.548 0 50 EFAA CCOc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 20536270 FCEMOMJUSIMXON-IBGZPJMESA-N 332.488 2.897 0 50 EFAA Cc1cc(C(=O)N2C[C@H](O)CC[C@H]2C)nn1-c1cccc(Cl)c1 422006712 BFLHJYRQGGUJQZ-IAQYHMDHSA-N 333.819 2.820 0 50 EFAA COC[C@@H]1CCCN1Cc1cccc(C(=O)Nc2c(C)cnn2C)c1 65376327 JYLKOFIDRZFXOY-KRWDZBQOSA-N 342.443 2.592 0 50 EFAA CCc1ccc(CN2CCC(Cc3nn(C)c(=O)n3CC)CC2)cc1 67872472 QGLLEVKBMAIGGO-UHFFFAOYSA-N 342.487 2.619 0 50 EFAA O=C1OCCN1CCNc1nncc(-c2cccc3ccccc23)n1 12454000 IEYPKYVKVCERIU-UHFFFAOYSA-N 335.367 2.556 0 50 EFAA CC(=O)Nc1ccccc1NC(=O)CN[C@H](C)Cc1ncccc1C 65425295 WFNMFDHXLYOBMS-CQSZACIVSA-N 340.427 2.508 0 50 EFAA C[C@@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 2805463 DZVIIRYRDMKAMP-MRVPVSSYSA-N 328.294 2.811 0 50 EFAA CCCNC(=O)c1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 121273638 HCNHQPZTASJSFT-BZSNNMDCSA-N 328.456 2.874 0 50 EFAA O=C(CNC(=O)c1cc(F)cc(F)c1)NC12CC3CC(CC(C3)C1)C2 172155661 XWOZKZQCSLJOPU-UHFFFAOYSA-N 348.393 2.780 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCCc3c(C(=O)O)cccc32)cc1 326305456 AMWRJOBRIPQDOR-UHFFFAOYSA-N 345.420 2.741 0 50 EFAA Cc1cnc([C@H](NC(=O)N2CCOCC(F)(F)C2)C2CC2)s1 358939721 GZACJEOFVUTVLG-LLVKDONJSA-N 331.388 2.580 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@]2(CCO[C@@H]2C)O1 364034425 NALPUSNPQVHKIZ-VFVRVIDISA-N 348.447 2.574 0 50 EFAA Cn1nccc1S(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 331724861 MJGSVAPYGVOKAY-NSHDSACASA-N 346.239 2.693 0 50 EFAA CCCc1cc(C(=O)N(CC(=O)O)C2CCOCC2)sc1C 236895585 QQSQWRXVBVOACD-UHFFFAOYSA-N 325.430 2.715 0 50 EFAA O=C(NCC1(CF)CCOCC1)N1CCC(OC2CCCC2)CC1 333193302 OUTWBNBNVXPKAG-UHFFFAOYSA-N 342.455 2.886 0 50 EFAA COc1ccccc1CCNC(=O)CCc1ccccc1C(=O)O 262095640 DAMGGCACTGKTGH-UHFFFAOYSA-N 327.380 2.685 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)C1 262150431 LMBDUFPMEDWVOH-CQSZACIVSA-N 331.290 2.565 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)COCc2ccccc2)c1 282498123 MZDWENRZBFCDLM-MJGOQNOKSA-N 341.407 2.546 0 50 EFAA C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(CN)o2)CC1 237438246 STVNRCZDZHLHLP-CYBMUJFWSA-N 347.846 2.911 0 50 EFAA COc1cc(CN2CC[C@H](N[C@H]3C[C@H](C)O[C@H](C)C3)C2)cc(OC)c1 242346895 ZJZIXYIIHPHYOZ-MVJTYMMSSA-N 348.487 2.824 0 50 EFAA COc1ccc(-c2nc(CN3CCNC(=O)CC3)c(C)o2)c(C)c1C 71765407 RUNAFRVVYTVAFA-UHFFFAOYSA-N 343.427 2.597 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)C1 378094967 PIPDFSSAMQSZGL-PKOBYXMFSA-N 345.487 2.747 0 50 EFAA CCc1nnc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)o1 72424065 CVSFNEAPDGBKOP-UHFFFAOYSA-N 331.416 2.608 0 50 EFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCCOC1 238131851 GWCNJKGEPFJQSG-GFCCVEGCSA-N 345.317 2.545 0 50 EFAA COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 217839865 TWNGQKHZGXWFAG-CQSZACIVSA-N 340.331 2.899 0 50 EFAA biogenic Cc1c(C(=O)N2CCC[C@@](O)(CO)C2)oc2c1ccc1ccccc12 457940760 IBOQUVYYYOOWRN-FQEVSTJZSA-N 339.391 2.854 0 50 EFAA Cc1cc([C@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)c(C)s1 284211867 ZUUANNQQYSXZLQ-JTQLQIEISA-N 329.487 2.898 0 50 EFAA CCCN1CCCn2nc(CNC(=O)Nc3ccccc3F)cc2C1 82137568 NKNXHRFUZAMDCM-UHFFFAOYSA-N 345.422 2.960 0 50 EFAA CCc1ccc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 286182689 IMPGXXQJAQUCQL-QRVBRYPASA-N 331.456 2.570 0 50 EFAA CCN1C(=O)COc2ccc(NC(=O)N3C[C@H]4CC=CC[C@H]4C3)cc21 426730567 WTWRGLIRMONXSG-OKILXGFUSA-N 341.411 2.862 0 50 EFAA O=C(c1c(Cl)nc2ccccn12)N1CCO[C@H](c2ccco2)C1 176728482 AGFYDXUQOHVAAX-LBPRGKRZSA-N 331.759 2.794 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)Cc3nc4ccccc4[nH]3)CC2)n1 426615342 AMOPVHHPSVQGAQ-UHFFFAOYSA-N 337.427 2.515 0 50 EFAA Cc1cc(C)n(CCNC(=O)Nc2nnc(-c3cccs3)s2)n1 48267925 ANQFXKIHDNCUOC-UHFFFAOYSA-N 348.457 2.902 0 50 EFAA O=C(NCc1ccn(C2CCCC2)n1)c1cc2ccccc2[nH]c1=O 178364365 KHTVHKYFSLFPCD-UHFFFAOYSA-N 336.395 2.770 0 50 EFAA c1ccc(-c2ccnc(CCNc3cc([C@@H]4CCOC4)ncn3)n2)cc1 426411295 LLDBPDNOOKWWGI-MRXNPFEDSA-N 347.422 3.092 0 50 EFAA CCn1nc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1C 20607639 QZQNEZCJJJXDHH-UHFFFAOYSA-N 341.337 2.554 0 50 EFAA CC(C)N1CCC(NC(=O)N(C)Cc2ccc3nsnc3c2)CC1 426550679 TZCDVMYDBBGRAK-UHFFFAOYSA-N 347.488 2.706 0 50 EFAA COCCN1CCC[C@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 426740380 GHOTWVRRPRAMNW-ZAOIQFLMSA-N 345.487 2.700 0 50 EFAA Cn1cccc1-c1cc(C(=O)NCCc2c[nH]c3ccccc23)[nH]n1 91915432 PXBITPPTHWDYNF-UHFFFAOYSA-N 333.395 2.869 0 50 EFAA COc1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)ccc1F 93455061 SVNFXQPZWCSYLH-QGZVFWFLSA-N 333.407 2.513 0 50 EFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(F)(F)CC1 95630469 NARCRNHDVCXLIF-CQSZACIVSA-N 325.355 2.712 0 50 EFAA O=C(NCc1cc(-c2ccccc2F)no1)[C@H]1CC[C@@H](C(=O)O)C1 426571528 AENUBCZUUGNQDS-WDEREUQCSA-N 332.331 2.598 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN(Cc3cccc(C(=O)O)n3)C2)cc1 95363600 UBTZEBAZJVCGGE-HNNXBMFYSA-N 340.379 2.858 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@@H](C)[C@H]2OCCc3sccc32)n1 293015820 MNCPZMAOUNXCPJ-TVQRCGJNSA-N 335.429 2.920 0 50 EFAA COCc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3C)C2)o1 96162479 QHZOFCFFMPOBBL-INIZCTEOSA-N 342.439 2.986 0 50 EFAA CCc1nccn1CCNC(=O)CC[C@@H]1CCCN2CCCC[C@H]12 95379500 NXEDMFNJRYVORW-DLBZAZTESA-N 332.492 2.606 0 50 EFAA CCCc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)n[nH]1 91624572 LOTRJQTXGZZHEN-QGZVFWFLSA-N 340.471 2.972 0 50 EFAA COCCc1nc(-c2c[nH]c(=O)c(Cl)c2)n(C2CCCCC2)n1 96153628 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SLNNXRZNYWUXNT-CQSZACIVSA-N 325.416 2.659 0 50 EFAA C[C@H]1CO[C@H](C)CN1C(=O)NCc1sccc1Br 182525853 OORBRYSVRCFCDS-DTWKUNHWSA-N 333.251 2.829 0 50 EFAA COCCn1c(-c2cccc3c2OCC3)nc2cc(C(=O)O)ccc21 534668485 LGPOCGPJPBCHLJ-UHFFFAOYSA-N 338.363 2.983 0 50 EFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 299800775 VNWMMUCXYHCWGF-LJQANCHMSA-N 336.435 2.685 0 50 EFAA O=C(/C=C/c1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2 299777629 OWAQKPTYENFFEV-XUIVZRPNSA-N 342.376 2.625 0 50 EFAA CNc1ccc(Cl)cc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 584889880 HTBKBTQUJVZBDW-CYBMUJFWSA-N 345.834 2.571 0 50 EFAA Cc1cccc(=O)n1CCC(=O)NCc1coc(-c2ccccc2)n1 670442924 NROZCBMTINAHPC-UHFFFAOYSA-N 337.379 2.518 0 50 EFAA Cc1nccn1CC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 670443408 XWPULTNRYZRHSP-LJQANCHMSA-N 340.471 2.925 0 50 EFAA Cn1cc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccco2)cn1 670460415 JNVVNACTDAFUPE-INIZCTEOSA-N 345.424 2.514 0 50 EFAA Cn1c(-c2cnc3[nH]ncc3c2)nnc1N(CCC1CC1)CC1CC1 1355530884 PGELEMMTLUYRFH-UHFFFAOYSA-N 337.431 2.770 0 50 EFAA CC1(C)CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)C[C@@H]1O 279648513 WNKARPPJUVUKJB-KBPBESRZSA-N 344.377 2.962 0 50 EFAA CCCN1C[C@H](NCc2cc3ccc(Cl)cc3nc2O)CC1=O 952963500 KNBMGNKGGGJRFE-CQSZACIVSA-N 333.819 2.694 0 50 EFAA COc1ccc(Cl)cc1Cn1ccc(C2(C)OCCO2)cc1=O 408514924 KUZNIMXFYFQJEG-UHFFFAOYSA-N 335.787 2.778 0 50 EFAA COCC1=CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 185611558 UXRLMPOQYFUYEY-MRXNPFEDSA-N 349.862 2.907 0 50 EFAA CN(Cc1ncccn1)[C@@H]1CCN(c2nc3ccccc3s2)C1 275751046 QFQPFNRWDKVQSY-CYBMUJFWSA-N 325.441 2.797 0 50 EFAA CC1(C)C[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C(C)(C)O1 186049773 HANRBOHFPOXDEE-CQSZACIVSA-N 338.429 2.593 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCc2ccc(OC)cc21 277704215 QUZFYOZPHBQPLH-GOEBONIOSA-N 340.427 2.530 0 50 EFAA CC(C)[C@H](O)CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 170058577 CEMJLGJKJHRHEI-HUUCEWRRSA-N 328.416 2.542 0 50 EFAA Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H](C3OCCO3)C2)c1 170623029 GAJLOXQLSNXEBL-KRWDZBQOSA-N 347.455 2.992 0 50 EFAA C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)nn3)ccc2O1 170609222 KZIMTYJLLRKDMW-NSHDSACASA-N 347.440 2.898 0 50 EFAA Cn1c(COc2ccccc2Cl)nnc1S[C@H]1CCOC1 170605528 MORKSUKIXYZNNP-JTQLQIEISA-N 325.821 2.929 0 50 EFAA CCc1cc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n(C)n1 635728121 QGDJVCQQIAHMSR-CYBMUJFWSA-N 333.819 2.929 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccn2C2CCCC2)C1 190015797 OESAUHNLZCVSIY-GDBMZVCRSA-N 344.415 2.897 0 50 EFAA CCn1ncc2c(=O)n(Cc3nc(-c4cccs4)oc3C)cnc21 192496496 HOSYXHWCUDYFGF-UHFFFAOYSA-N 341.396 2.686 0 50 EFAA CCCCC1CCC(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 651169267 XQWAXZPVKBXYQE-UYSNPLJNSA-N 329.506 2.924 0 50 EFAA CCn1c([C@@H]2CCCN2C(=O)C2=COCCO2)nc2ccccc21 195410110 SOWHOSVLUHFAPO-HNNXBMFYSA-N 327.384 2.608 0 50 EFAA O=C(O)C1(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)CC=CC1 663112593 MCWCJIQVTFQVBG-MRXNPFEDSA-N 334.460 2.522 0 50 EFAA OC[C@H]1C[C@@H](N=c2cc[nH]c(-c3ccc(Br)cc3)n2)C1 894868134 YWUBJSBDKKRKFP-GSJFWJNXSA-N 334.217 2.511 0 50 EFAA c1ccc(CN2C[C@@H]3CC[C@H](Nc4ncnc5nccnc45)[C@H]3C2)cc1 680018195 YUPNQAFZFYBADV-ULQDDVLXSA-N 346.438 2.742 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)Cn3nc(C)cc3C)s2)cc1 1529191010 RQGQHPOENLYQRZ-UHFFFAOYSA-N 327.413 2.966 0 50 EFAA Cc1cc(NCCNS(C)(=O)=O)c2ccc(C(F)(F)F)cc2n1 1704315738 UYIQGWHVEJZWPB-UHFFFAOYSA-N 347.362 2.523 0 50 EFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccccc3)C2)c1 5030535 YLVRONARKAFMLB-SFHVURJKSA-N 340.379 2.513 0 50 EFAA Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)O)CC2=O)cc1 13261326 MLDHDPXPMPQPFZ-CYBMUJFWSA-N 338.363 2.685 0 50 EFAA CN(Cc1cccc2cnccc12)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 15070843 JXXCDZFLDWIZIO-INIZCTEOSA-N 337.423 2.594 0 50 EFAA COc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19537460 GBNXHPZUMNRZAC-UHFFFAOYSA-N 340.423 2.742 0 50 EFAA Cc1[nH]ccc1C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 153028333 PVVKARJRDKVHTM-CYBMUJFWSA-N 338.816 2.577 0 50 EFAA CCO[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 738320746 PYIKKISDBWXVMM-CQSZACIVSA-N 331.865 2.615 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 237479920 AESXIKQKSBKOBZ-RISCZKNCSA-N 333.432 2.830 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(CCCOc1ccc(F)cc1)C2 247880585 PTSFNNYPORWOMH-AEFFLSMTSA-N 336.451 2.637 0 50 EFAA Cc1nccc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)n1 252491633 LOVOQOJTUZGUME-MRXNPFEDSA-N 347.850 2.541 0 50 EFAA CCCC[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 253397215 REOPWPZZACOVEU-KGLIPLIRSA-N 343.431 2.537 0 50 EFAA COc1ccc2c(c1)[C@H](C)CN(C(=O)Cc1c(C)n[nH]c1C)CC2 366596823 IFTZKBZMBZKWMI-GFCCVEGCSA-N 327.428 2.766 0 50 EFAA COC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2cn3ccccc3n2)C1 495802700 IBHFTJPILGFBSP-ILXRZTDVSA-N 330.432 2.852 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1F 264407603 YBUBEPWMPDYETJ-IAGOWNOFSA-N 335.375 2.577 0 50 EFAA C[C@]1(C(=O)NCCc2ccc(C(=O)O)cc2)OCCc2ccccc21 908604222 HHOZWHUBUUGDNY-FQEVSTJZSA-N 339.391 2.532 0 50 EFAA COc1cccc(F)c1C(=O)N[C@H]1CC[C@@H](Cc2nnc(C)o2)C1 952890790 IXRDMGMRBPJMRC-NEPJUHHUSA-N 333.363 2.667 0 50 EFAA COc1cccc(OC)c1OCCCCN(C)Cc1ncccn1 952882476 FVBSQFMHZRQHIB-UHFFFAOYSA-N 331.416 2.785 0 50 EFAA O=C(N[C@H]1C[C@H]2C[C@@H](CO)C[C@@H]12)c1c2c(nc3ccccc13)CCC2 1875274541 HEUXGUGZEQLESX-ICLOAJAWSA-N 336.435 2.860 0 50 EFAA CC(C)c1nnc2n1C[C@@H](Nc1ncnc(-c3ccccc3)n1)CC2 1875270176 GZSFMEZYLOVADW-AWEZNQCLSA-N 335.415 2.680 0 50 EFAA C[C@H]1CN(c2ccc(CN=c3c(F)c[nH]cc3Cl)cn2)CCO1 1875286441 SQVOJXQVCATKBN-NSHDSACASA-N 336.798 2.528 0 50 EFAA Cc1ccc(-c2cnc(CNc3ncnc4c3nnn4C3CC3)[nH]2)cc1 1875279638 DQCRNRPNJVIXAM-UHFFFAOYSA-N 346.398 2.867 0 50 EFAA CC1(C)CCN(C(=O)Cc2cccc(OC(F)F)n2)CC(C)(C)N1 1875323318 FAUOSELEXPMEGF-UHFFFAOYSA-N 341.402 2.605 0 50 EFAA CC(=O)N1CC[C@H](NC2CCC3(CC2)OCCO3)c2ccccc2C1 1875368924 GPOPBWURDVYXAS-IBGZPJMESA-N 344.455 2.755 0 50 EFAA COC(=O)N1CCC[C@@H](NC(=O)c2cc3ccc(SC)cc3[nH]2)C1 1875321903 ANFPBGZIXOXBIM-GFCCVEGCSA-N 347.440 2.850 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccncc2Cl)cn1 886079273 DPQBDFGDKVCLQP-BLLLJJGKSA-N 348.834 2.849 0 50 EFAA Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)o1 890632102 RAWATRSKZXDOEM-HNNXBMFYSA-N 338.201 2.988 0 50 EFAA Cc1cc(N2CCC[C@H](c3nc4c(s3)CCC4)C2)n2ncnc2n1 895673548 DRUVCMZZVQBMEI-LBPRGKRZSA-N 340.456 2.762 0 50 EFAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)Cc1ccc2c(c1)CCO2 263038282 VNCANIDTRFUSEE-AWEZNQCLSA-N 339.391 2.666 0 50 EFAA CCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 2948246 XZMRPWIOERXWCO-UHFFFAOYSA-N 334.220 2.576 0 50 EFAA Cc1cnc(CCC(=O)N(C)Cc2cnc3ccc(Cl)cn23)[nH]1 2325781920 DCDZDSLEMPVMGG-UHFFFAOYSA-N 331.807 2.610 0 50 EFAA C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 2325782057 SVDFUNMUDWLRAW-KBXCAEBGSA-N 342.414 2.745 0 50 EFAA Cc1cnc(C2(NC(=O)[C@@H](N)Cc3cc4ccccc4o3)CCC2)[nH]1 2325796054 PRWQWVYGPCNDCQ-HNNXBMFYSA-N 338.411 2.530 0 50 EFAA Cc1cc(Br)ccc1NC(=O)CSc1nncn1C 40646 AMOGQGCSQNKLCX-UHFFFAOYSA-N 341.234 2.617 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1Cl 193886 LTKMNGNWTHRFSQ-AWEZNQCLSA-N 336.775 2.790 0 50 EFAA Cc1sc(NC(=S)NC(=O)C2CCCCC2)c(C(N)=O)c1C 358914 VZWKCQAZRNUHRA-UHFFFAOYSA-N 339.486 2.857 0 50 EFAA aggregator COc1cc2[nH]c(=S)n(Cc3cccnc3)c(=O)c2cc1OC 425213 QGMWJBNUDFSQIT-UHFFFAOYSA-N 329.381 2.520 0 50 EFAA O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1cnn2ccccc12 348830228 DLKWWSNTJVTLNU-GOSISDBHSA-N 348.450 2.629 0 50 EFAA COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(OC)c1 4748674 YLJJMQTWZWLCDY-UHFFFAOYSA-N 342.395 2.793 0 50 EFAA O=C1N[C@@H](c2cc3c(cc2Br)OCO3)Oc2ccccc21 4808608 YALDVGIGAZYQGH-OAHLLOKOSA-N 348.152 2.999 0 50 EFAA O=C(CN1CCC2(CC1)OCCO2)Nc1cccc2ccccc12 6741603 WGQSLXGFAPXGKC-UHFFFAOYSA-N 326.396 2.617 0 50 EFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)Oc2ccc(C)c(C)c2)C1 6743405 YNRSQQHQUBCHNR-HNNXBMFYSA-N 339.457 2.661 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)NCc1ccccc1 245914410 FDWVLLSMCXZYNW-BMFZPTHFSA-N 342.464 2.981 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1OC 225541560 LBFSWXUVBBRBFE-HOTGVXAUSA-N 345.370 2.791 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c(C)o1 225686040 UPCZCVSAOOVBPD-GJZGRUSLSA-N 339.388 2.532 0 50 EFAA O=C(OCc1conc1C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1 225858428 HCKCOHYRPMSMGV-VIFPVBQESA-N 346.305 2.528 0 50 EFAA CCN(Cc1noc(C2CC2)n1)[C@@H](C(=O)O)c1cc(C)ccc1OC 55404588 IGBUHUGMUCCRRU-MRXNPFEDSA-N 345.399 2.912 0 50 EFAA COCCN(Cc1sccc1C)C(=O)CN(C)Cc1cccnc1 55360050 RKTMTNMSUCDLTP-UHFFFAOYSA-N 347.484 2.559 0 50 EFAA C[C@H](C(=O)NC1CCCCC1)N1CCN(c2ccccc2F)CC1 55565658 VHMAUSBZQDRJNB-OAHLLOKOSA-N 333.451 2.785 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)[C@@H]2COc3ccccc3O2)o1 134024090 WOZMFBFFNXQCLC-KSSFIOAISA-N 343.379 2.582 0 50 EFAA CCCCc1cn(C2CCN(C[C@@H]3CCCN(CC)C3)CC2)nn1 55242126 KURVRMQKIUFASA-QGZVFWFLSA-N 333.524 2.990 0 50 EFAA CCOC(=O)NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F 20167870 LJLRYUWKYUGSBS-UHFFFAOYSA-N 345.243 2.738 0 50 EFAA CCOc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65362828 GFSQEMAPDRTMEK-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67909019 KBRPDJYTFUJLGY-QGZVFWFLSA-N 339.439 2.743 0 50 EFAA Cc1ccc2c(CN3CC[S@](=O)C[C@H](C)C3)cc(=O)oc2c1C 253394353 GJIJWJZLVAPZPM-SPSFWMDKSA-N 333.453 2.610 0 50 EFAA CC[C@H](c1ccccc1)N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 229305986 HJPDZTSXMSOHSP-AHRSYUTCSA-N 329.488 2.622 0 50 EFAA CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1ncn(C)n1 425108840 RMXNYFSSWNAKAU-UHFFFAOYSA-N 326.322 2.539 0 50 EFAA CCc1ncc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)s1 253419866 KNXGCGRPLDOOIG-CYBMUJFWSA-N 343.408 2.613 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N[C@H](CCO)c2ccc(C)cc2)cc1 65405492 PRQJLOLQXHZJLG-GOSISDBHSA-N 340.423 2.872 0 50 EFAA COc1ccc2cc(CN3CCOC[C@@H]3CC(C)C)c(=O)[nH]c2c1 67560293 XKGBJJGWVJSJMD-INIZCTEOSA-N 330.428 2.784 0 50 EFAA CCOC(=O)c1cc(Br)nn1-c1ncccc1Cl 35876001 FQMUOIZSRNYHTL-UHFFFAOYSA-N 330.569 2.860 0 50 EFAA CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCc1nccs1 328596731 VJYXKYXMRLJJKN-OAHLLOKOSA-N 329.469 2.985 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)Cc1ccoc1 328637718 OSOUNUJFCAIFPN-GJZGRUSLSA-N 336.432 2.955 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3c[nH]nc3CC)CC2)OC1=O 72457671 FMYOUQFMXIDTCL-ZDUSSCGKSA-N 348.447 2.588 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CCC1 355447402 SRICZBPSKIORCJ-QXAKKESOSA-N 343.467 2.805 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1cnn(-c2ccccc2)c1 126012752 NKJCGNSHBWBZBF-ZDUSSCGKSA-N 338.415 2.662 0 50 EFAA Cc1cc(N2CCN(C(=O)CN3CCCCCCC3)CC2)cc(C)n1 77338259 AYYATPXJNFUDMR-UHFFFAOYSA-N 344.503 2.613 0 50 EFAA COc1cc(F)c(-c2nccn2[C@H](CO)CCSC)cc1OC 71730353 QJKVCKSBQIKUCZ-NSHDSACASA-N 340.420 2.993 0 50 EFAA O=C(COCC(F)(F)F)NCc1ccccc1OCC(F)(F)F 126307124 CPHSFLFJGAQVLS-UHFFFAOYSA-N 345.239 2.823 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O 12579114 LDEHXDQQHXAJAR-MRXNPFEDSA-N 342.892 2.862 0 50 EFAA C[C@H](NC(=O)c1cccc(C(=O)O)n1)c1cccc(OC(F)F)c1 362491971 HPCMZHMMYNILPR-VIFPVBQESA-N 336.294 2.872 0 50 EFAA Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C2(C(=O)O)CC2)c1C 154821445 LSHADBIHGHJFDZ-UHFFFAOYSA-N 341.411 2.621 0 50 EFAA Cc1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)nn1C 487386631 FLDRFFOXMMFVJQ-UHFFFAOYSA-N 336.443 2.893 0 50 EFAA COCc1c(C(=O)N2CCC[C@H]2C(=O)O)sc2cccc(F)c12 237184402 CQZYDFVFUMPPOI-NSHDSACASA-N 337.372 2.876 0 50 EFAA Cc1noc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 241644461 PQYCZBFLYUKHGU-TZMCWYRMSA-N 328.199 2.775 0 50 EFAA CO[C@@H](C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)C1CC1 334117469 IIPSYSLGGUOQOQ-UKRRQHHQSA-N 332.425 2.621 0 50 EFAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(C(=O)O)c1 369006959 FMZPXYDWVKQWFU-SJCJKPOMSA-N 325.364 2.849 0 50 EFAA C[C@H](c1ccc(F)c(Cl)c1)N1CCC(CNS(C)(=O)=O)CC1 285604841 YMPPCHVKRFDLHZ-LLVKDONJSA-N 348.871 2.801 0 50 EFAA O=c1cc(CN2CCC[C@@]3(CCCc4ccccc43)C2)[nH]c2ccnn12 370283293 MXUWNZRJKGFIHB-NRFANRHFSA-N 348.450 2.893 0 50 EFAA Cc1cc(=O)nc(S[C@@H](C)C(=O)NCc2cc3ccccc3o2)[nH]1 215187364 LYKWPXNOPLMOGI-NSHDSACASA-N 343.408 2.622 0 50 EFAA Cc1nc2ccc(C(=O)N3CCOC[C@@H]3c3cccn3C)cc2o1 376836481 KKJPIHCDWCSWED-MRXNPFEDSA-N 325.368 2.688 0 50 EFAA Cc1ccc([C@@H](CNC(=O)N2CCOCC2)N2CCC(C)CC2)cc1 40615805 DEOUWYOJJWZBOK-LJQANCHMSA-N 345.487 2.810 0 50 EFAA C[C@@H](C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)c1cccnc1 174612858 WOAAFOWGHNEFHE-MJGOQNOKSA-N 337.467 2.866 0 50 EFAA CC(C)[C@](C)(CO)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 378121473 UYOGJMDCLUFTHW-QUCCMNQESA-N 347.503 2.605 0 50 EFAA C[C@H]1C[C@@H](O)CN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 340920901 XJLPKXDJTWFRNY-QFBILLFUSA-N 338.451 2.690 0 50 EFAA O=C(CSCc1ccccc1Cl)NCc1cnc2cnccn12 221199392 OFAQUXXTOYWSNH-UHFFFAOYSA-N 346.843 2.932 0 50 EFAA Cn1cnc2c(C(=O)N3CCC[C@H](Nc4ccccc4)C3)ccnc21 288424770 NUAPEKGJPYHQIR-HNNXBMFYSA-N 335.411 2.685 0 50 EFAA CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1OCC[C@@H]1C(C)C 288465049 WJITYOCOYBBZJH-RDTXWAMCSA-N 330.428 2.985 0 50 EFAA CC(=O)Nc1ccc(C)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 263406989 HYRZOZVYHXUWIV-CQSZACIVSA-N 332.400 2.670 0 50 EFAA O=C(NCc1ccco1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426641564 PJEYBEZVUZQSHC-GOSISDBHSA-N 339.439 2.664 0 50 EFAA CN1CC[C@@H](CNC(=O)N2CCC(Cc3ccccc3F)CC2)C1 426535190 PHGZWUQJWHQDBD-INIZCTEOSA-N 333.451 2.742 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1c(C)nn(C)c1C 229553634 PANWDBPCYQTPFA-MSOLQXFVSA-N 343.471 2.922 0 50 EFAA Cc1cc2c(cc1C(=O)N(C)CCc1scnc1C)OCCO2 220496888 QPNIOLLLLSSPGX-UHFFFAOYSA-N 332.425 2.846 0 50 EFAA CN1CCC[C@H](CCC(=O)NCCc2noc(-c3ccccc3)n2)C1 95353646 ICEKVICYLLKSDZ-OAHLLOKOSA-N 342.443 2.517 0 50 EFAA CS(=O)(=O)c1ccc(Cc2ncnn2-c2ccc(F)c(F)c2)cc1 91518743 NAJSSLDWEZXWGF-UHFFFAOYSA-N 349.362 2.540 0 50 EFAA Cn1c(CCN)nnc1SCc1cccc(C(F)(F)F)c1F 426571563 FRAIPINIIUOZJN-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA O=C(c1ccco1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91526189 JDGGPQROHNNZPT-INIZCTEOSA-N 336.395 2.939 0 50 EFAA CC(C)(C)NC[C@H](O)COc1ccc(Cl)c2c1CCCC2=O 96028009 MQNLHUKWWDPPEJ-NSHDSACASA-N 325.836 2.987 0 50 EFAA O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN(CCO)C1 97730182 YWMFUZSYMQEOJO-HXUWFJFHSA-N 338.451 2.674 0 50 EFAA Cc1cnc(-c2ccccc2S(=O)(=O)NC(C)(C)C)nc1N(C)C 97784994 XDASWTBKBCBIOO-UHFFFAOYSA-N 348.472 2.595 0 50 EFAA COCc1cc(CNC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)n[nH]1 91754799 RWIRUQMEFMYPFH-SFHVURJKSA-N 331.391 2.679 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2ncsc2c1 244858618 VOOLWRXKLBEITF-DCGLDWPTSA-N 339.420 2.933 0 50 EFAA Cc1cc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)ccc1F 244708071 KMZZXMBMESJFRL-SOLBZPMBSA-N 328.387 2.641 0 50 EFAA Cc1nc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n(C)n1 243893386 AQSZBGKBBFEYGR-AWEZNQCLSA-N 330.823 2.990 0 50 EFAA CCn1ccnc1CNC(=O)N1CCC(n2c(C)ccc2C)CC1 298049812 IORYCVFZBUACIU-UHFFFAOYSA-N 329.448 2.868 0 50 EFAA O=C(N[C@H](CO)c1ccccc1)C1(c2ccccc2)CCOCC1 253401654 FTNFOFGNFIMPEG-GOSISDBHSA-N 325.408 2.585 0 50 EFAA biogenic CC1(CO)CCN(C(=O)NCCCn2ccc3ccccc32)CC1 184475321 YNAISQRYNKCDNM-UHFFFAOYSA-N 329.444 2.835 0 50 EFAA CCn1cc(NC(=O)NCCc2nc(C)c3c(n2)CCCC3)c(C)n1 299765010 YOLRYGMLCBQDNQ-UHFFFAOYSA-N 342.447 2.553 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2nc[nH]n2)cc1 828161228 OFFQLVFFBIZOEZ-UHFFFAOYSA-N 338.415 2.612 0 50 EFAA Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1-c1nncn1C 828169464 UWAGQWOQCSKMIB-UHFFFAOYSA-N 334.379 2.978 0 50 EFAA CC(C)n1nccc1S(=O)(=O)NCCCn1ccc2ccccc21 670435507 NJOSXFJTKMVAKD-UHFFFAOYSA-N 346.456 2.787 0 50 EFAA COc1cc(Cl)cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1413719296 YJJOXVBDRQQWOA-LURJTMIESA-N 348.712 2.977 0 50 EFAA Cc1cncn1CC(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 1347691527 XEUXBAKIEJRMDW-GOSISDBHSA-N 334.423 2.729 0 50 EFAA CCC(=O)N[C@H](C)C(=O)Nc1cc(C)ccc1NC(=O)C1CCCC1 952978043 ASJFXHSQTCIXLI-CYBMUJFWSA-N 345.443 2.977 0 50 EFAA COCCN1CCC(CN(C)Cc2cccc(O)c2Cl)CC1 952968133 AVBXFXSSZVHZQA-UHFFFAOYSA-N 326.868 2.836 0 50 EFAA Cc1ccc(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c(C)n1 185250755 VZDQQAUSGSFQCE-HXUWFJFHSA-N 335.407 2.678 0 50 EFAA C[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)CCN1c1ccccc1 890190239 ONZJFJLTVBICNN-CYBMUJFWSA-N 338.367 2.681 0 50 EFAA Cc1cccc2c1N(C(=O)Cc1nnc(-c3ccccc3)n1C)CC2 170825619 HFJTUXAGVVVGPV-UHFFFAOYSA-N 332.407 2.922 0 50 EFAA CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)C1 390832844 YHLWSBLDZXHMEZ-RBSFLKMASA-N 342.505 2.845 0 50 EFAA COC(=O)c1ccccc1CCN1CCC(c2nc(C)no2)CC1 186745250 HSDUXHCYDDNPOZ-UHFFFAOYSA-N 329.400 2.587 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc3c1CCOC3)CC2 639497991 XRBCMMFMDGFEPH-RTBURBONSA-N 331.456 2.511 0 50 EFAA COCCn1ccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)n1 190232185 ACILNJCSPAMBRB-UHFFFAOYSA-N 342.443 2.753 0 50 EFAA CC(C)(C)[S@@](=O)CCNC(=O)N1CCC(c2ccncc2)CC1 190440354 BYAAISMNSCLSKK-QHCPKHFHSA-N 337.489 2.518 0 50 EFAA CC1(C)C[C@H](NC(=O)Cc2ccccc2C(N)=O)c2ccccc2O1 192056865 RADSTJXHPLTYFK-INIZCTEOSA-N 338.407 2.747 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCCN(c2cnn(C)c2)C1 195566252 DAMFBBBDDJADGM-DOTOQJQBSA-N 328.460 2.705 0 50 EFAA CCN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cc(C)c(C)cc1OC 1616158520 GGLKRKYBIFMFNK-GJZGRUSLSA-N 341.473 2.626 0 50 EFAA COc1ccnc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)c1 1506430892 DEEJIURSMJZYDI-MRXNPFEDSA-N 332.425 2.738 0 50 EFAA CN(CCS(=O)(=O)c1ccccc1)[C@H](c1ccccn1)C1CC1 1506410847 GDJFFUINAVEITH-SFHVURJKSA-N 330.453 2.938 0 50 EFAA O=C(c1ccc2nccnc2c1)N(Cc1ccccn1)C[C@H]1CCCO1 1506395695 LGHCEWJMHLIDCD-QGZVFWFLSA-N 348.406 2.846 0 50 EFAA Cc1cccc(N2CCC(N[C@@H]3COC4(CCNCC4)C3)CC2)c1C 1506410411 TZBCDALYBVCQSN-IBGZPJMESA-N 343.515 2.773 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCCc3ccc(F)cc3)C[C@@H]2CC1=O 1529166910 DSCXNTDLKNLAHC-SOLBZPMBSA-N 346.446 2.864 0 50 EFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CCn3cccc3)CC[C@@H]21 215180536 HTJHTUIFZWOPRG-SJORKVTESA-N 331.460 2.518 0 50 EFAA O=C(c1ccc(O)nn1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 15071253 UPXJTLIAAIEPFF-LBPRGKRZSA-N 347.365 2.945 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1cc(=O)c2ccccc2o1 1857674478 KGQBKTZXQXUSHZ-UHFFFAOYSA-N 347.374 2.915 0 50 EFAA O=C(NCc1ccc(Cl)s1)N[C@H]1CCO[C@@]2(CCOC2)C1 253422903 IDHFZHPWSSRVST-HZMBPMFUSA-N 330.837 2.539 0 50 EFAA CC1(C)CCC(=CC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1 408473900 QOHVREYNQOVLEM-FUHWJXTLSA-N 348.487 2.642 0 50 EFAA O=C(COCC(=O)N1CC[C@H]2CCCC[C@H]21)N1CC[C@@H]2CCCC[C@@H]21 229323427 FHCSNSKVFJJCGT-USTZCAOPSA-N 348.487 2.585 0 50 EFAA CCOc1ccc(CN2CCN(c3nc(C)nc(C)c3F)CC2)cc1 356690014 SLCWAMFCOUBDDZ-UHFFFAOYSA-N 344.434 2.953 0 50 EFAA C[C@@]1(O)CCCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 390833581 JQYGVMYNXTYPFS-LJQANCHMSA-N 342.443 2.818 0 50 EFAA Cc1conc1CN(CC(=O)O)Cc1cccc(Br)c1 872160995 QIVWQIBITBNGHZ-UHFFFAOYSA-N 339.189 2.832 0 50 EFAA Cc1cc(C)n2ncc(-c3noc(Cn4ccnc4C(C)C)n3)c2n1 874434991 INAHETJYDQJVRS-UHFFFAOYSA-N 337.387 2.764 0 50 EFAA CC(C)(C)[C@H]1CC[C@@H](CO)N(c2ncncc2Br)C1 1875294530 IFNARNSJAWZYJB-QWRGUYRKSA-N 328.254 2.863 0 50 EFAA CCn1nc(C)c(Cn2cc(-c3cccc(Br)c3)nn2)n1 1875281943 GHRMDVUGYQCZHA-UHFFFAOYSA-N 347.220 2.676 0 50 EFAA NC(=O)c1ccc(C(=O)N[C@@H](Cc2cccc(O)c2)c2ccccc2)[nH]1 1875328398 PTRPXUCSWWYNBB-SFHVURJKSA-N 349.390 2.533 0 50 EFAA CC(C)CC(=O)N1CC[C@@H](C)N(C(=O)c2ccnn2CC(C)C)CC1 1875358053 HRDIZXJCEKTRQV-MRXNPFEDSA-N 348.491 2.648 0 50 EFAA CC(C)Cn1ncc2cc(C(=O)NCC[C@@H]3CCCC[C@@H]3O)cnc21 887547141 UNZGTDOZVNXHAA-YOEHRIQHSA-N 344.459 2.758 0 50 EFAA CC[C@H](O)[C@@H](C)NC(=O)c1c(F)cc(Br)c(F)c1F 1775998629 FKVAFVAFAAMANU-XRGYYRRGSA-N 340.139 2.756 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@@]2(C(=O)O)C(C)C)c1 899778945 LHTVQMKITSECMC-RDTXWAMCSA-N 347.415 2.538 0 50 EFAA Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[C@H](O)CC2)n1 935561046 LONJSPJGOSFNLD-XYPYZODXSA-N 327.222 2.528 0 50 EFAA CC[C@@H](C(=O)N1CCC[C@H]1c1cccc(OC)c1)N1CCCC1=O 2325768079 BOZVOWIKCBMUAX-IRXDYDNUSA-N 330.428 2.760 0 50 EFAA Cc1onc(-c2ccncc2)c1C(=O)NC[C@@H]1CCCc2nccn21 2325784286 QDRHIKLVTWXVKQ-AWEZNQCLSA-N 337.383 2.549 0 50 EFAA CCOC(=O)c1sc2nc(C)cc(C)c2c1N(C(C)=O)C(C)=O 178475 PNIUZDCLLFELHY-UHFFFAOYSA-N 334.397 2.989 0 50 EFAA Cc1cccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c1C 303407 FVFDIAJGTUMJQG-UHFFFAOYSA-N 346.452 2.587 0 50 EFAA CCOC(=O)N1CCN(C(=O)CSCc2ccc(C)cc2)CC1 452361 MVDBRLPRTCFCAL-UHFFFAOYSA-N 336.457 2.529 0 50 EFAA O=C(O)COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 470581 WEBGXDLTJWHSSK-UHFFFAOYSA-N 335.743 2.821 0 50 EFAA COC(=O)CCc1ccc(OC)c(OCc2ccc3c(n2)NCC3)c1 2356157616 OEALWFKBFVBLDB-UHFFFAOYSA-N 342.395 2.743 0 50 EFAA Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)n1C 6730722 WGERXNKVLRYGCU-UHFFFAOYSA-N 334.445 2.925 0 50 EFAA C[C@H]1CCC[C@@H](C)[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1 245861480 IRDGQMQKFKKAGH-IGOJGBNBSA-N 345.487 2.876 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc[nH]c1=O 55211197 VTXYPVYTMMEKJC-UHFFFAOYSA-N 339.395 2.643 0 50 EFAA Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC[C@H]1C(N)=O 51468549 CLVCKKLOSHIUOX-LBPRGKRZSA-N 349.843 2.862 0 50 EFAA COc1ccc(C)cc1NC(=O)N1CCN(c2ccccn2)CC1 101113949 ROVHAJUTFASNHE-UHFFFAOYSA-N 326.400 2.753 0 50 EFAA O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCc1nc(-c2ccccc2)no1 101426963 KOAFBNYULDRENR-GASCZTMLSA-N 337.379 2.620 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 136573930 CCHMGHMCTVTEAV-DLBZAZTESA-N 333.476 2.524 0 50 EFAA CCC(CC)N(CCc1ccccc1)C(=O)CN1CCC(O)CC1 65459340 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C[C@H]1C[C@@H](CNC(=O)N2CCSCC2)CN1Cc1ccccc1 126041117 NHZMJSJEAYPGNH-RDJZCZTQSA-N 333.501 2.655 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCOc2ccccc2C1 328593572 KNLJAOHLKRFERI-UHFFFAOYSA-N 341.415 3.210 0 50 EFAA Clc1cc(N2CCCO[C@@H](Cn3cccn3)C2)nc2[nH]ccc12 72130862 BYEIWZSYHGJVDI-GFCCVEGCSA-N 331.807 2.708 0 50 EFAA Cc1nc(N(C)C)sc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 123940397 CENIPMKWXHHYGT-LLVKDONJSA-N 349.460 2.905 0 50 EFAA Cc1nc(CCNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cs1 253425539 QHHHWYLJNOYBEB-KRWDZBQOSA-N 345.468 2.703 0 50 EFAA CC(C)[C@@H](O)C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1 12429971 MWPPDCKDBFIKOZ-QGZVFWFLSA-N 330.407 2.911 0 50 EFAA CC(C)(C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(F)cc1 172461804 WQBPQOUFMIRTAA-UHFFFAOYSA-N 348.462 2.674 0 50 EFAA CCCCN1CCCC[C@@H]1CNC(=O)NCc1cc(C)nc(C)n1 253416554 LDFJBQJZPQBRQL-QGZVFWFLSA-N 333.480 2.547 0 50 EFAA C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)c(Cl)c1 240626700 HIQCXJMMKADEGO-JRPNMDOOSA-N 348.871 2.800 0 50 EFAA O=C(c1ccc[nH]1)N1CCO[C@H](c2ccccc2Br)C1 126731199 OZTKWYMRJLJFNK-AWEZNQCLSA-N 335.201 2.991 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)Cc1cc(F)cc(F)c1 77489114 XCOZXXOIOSVRIC-OAHLLOKOSA-N 325.355 2.842 0 50 EFAA CCc1ccc(CNS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 240900721 ITLHVJTWIOLYQD-UHFFFAOYSA-N 347.436 2.745 0 50 EFAA C[C@H](O)C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 153917489 RJEGIHFJHYUXQU-KRWDZBQOSA-N 344.499 2.908 0 50 EFAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@H](c2cccc(O)c2)C1 127267367 DKUMIMIRXPATGU-DAYGRLMNSA-N 332.444 2.555 0 50 EFAA CSc1nsc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)n1 157010597 GMHOMABGZMSIJX-ZJUUUORDSA-N 338.462 2.572 0 50 EFAA CCN1CC2(CCN(C(=O)[C@H]3CCc4ccccc43)CC2)CC1=O 72457352 MMORYSFSSTZHAD-KRWDZBQOSA-N 326.440 2.577 0 50 EFAA COc1coc(CN2CCCN(CC3CC3)[C@H](C(C)C)C2)cc1=O 71771365 FAUALELWUIKSAO-KRWDZBQOSA-N 334.460 2.591 0 50 EFAA C[C@H](C1CCN(Cc2ccc(O)cc2Cl)CC1)N1CCOCC1 72479100 JTIJWKNQMFVDBQ-CQSZACIVSA-N 338.879 2.978 0 50 EFAA O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N[C@@H]1CCCc2ccccc21 229219705 SMZKWMIYEZWTNL-VQIMIIECSA-N 338.455 2.783 0 50 EFAA CC(=O)N1CC[C@H](C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)C1 175254854 FDYZOXPRGGQWAN-AWEZNQCLSA-N 326.400 2.500 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 263299686 GKNHFJTXHFQBIV-FOGDFJRCSA-N 326.343 2.778 0 50 EFAA COc1ccc2oc(CNC(=O)CCc3scnc3C)nc2c1 82107199 XDRCRNUBBQEHAD-UHFFFAOYSA-N 331.397 2.850 0 50 EFAA C[C@H]1CCCN(c2cc(NCc3cccnc3-n3ccnc3)ncn2)C1 290471901 GULCJUYTOJOUQA-HNNXBMFYSA-N 349.442 2.906 0 50 EFAA Cc1ncn(CC(=O)N2CCCC[C@H]2CCc2ccccn2)c1C 223405511 CQDOZHQRFXFTKN-SFHVURJKSA-N 326.444 2.909 0 50 EFAA C=CC(=O)Nc1cc(NC(=O)c2cnn3ccc(C)nc23)ccc1F 136608808 CKBSOXJVCCLVKJ-UHFFFAOYSA-N 339.330 2.554 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2cncnc2)cc1 426436567 OHGILXMWVMZQGC-UHFFFAOYSA-N 335.411 2.798 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 95366636 XOZQGBIEGIHQNN-KRWDZBQOSA-N 343.475 2.756 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 92038107 KQHBOGSOTWBHKZ-HNNXBMFYSA-N 346.349 2.804 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NCC1(Cn2ccnc2C)CC1 91906624 JEPXGFYCQDGVEG-UHFFFAOYSA-N 343.475 2.817 0 50 EFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)OCO4)[nH]n2)o1 97425166 HXMREUMPPRGUFT-UHFFFAOYSA-N 339.351 2.979 0 50 EFAA COc1cc2c(cc1CN1CC[C@]3(CCCN(C)C3=O)C1)CCC2 91665561 CUTMYLMRTMYQRI-HXUWFJFHSA-N 328.456 2.628 0 50 EFAA CCCc1cc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cs1 96153653 VAWREMPWZHJMSV-WBMJQRKESA-N 334.441 2.985 0 50 EFAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCOC[C@@H](O)C1 95502302 LANNYVOPBDKKOU-AWEZNQCLSA-N 348.424 2.797 0 50 EFAA CSCC1CCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC1 95506177 HKKYESZUSSXIMM-QGZVFWFLSA-N 346.496 2.604 0 50 EFAA Cn1cc(C2CCN(C(=O)NC[C@H]3CCCC3(F)F)CC2)cn1 333210123 TWQDTLNHXRWGNT-CQSZACIVSA-N 326.391 2.745 0 50 EFAA CN[C@@H](C)c1nc(-c2ccc(C(N)=O)cc2)nn1C1CCCCC1 96163282 AXRGVGCSECLBDM-LBPRGKRZSA-N 327.432 2.830 0 50 EFAA Cc1noc(C)c1Cc1nc(C2CCOCC2)nn1CC(F)(F)F 96132465 WMHSFHXYCHELAO-UHFFFAOYSA-N 344.337 2.930 0 50 EFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1scc2c1OCCO2 95374042 GWSRJEFHTAXQIH-LBPRGKRZSA-N 345.420 2.891 0 50 EFAA CSCCN1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 96132877 KVZIDBKGRGUIKY-UHFFFAOYSA-N 331.844 2.992 0 50 EFAA CN(C)c1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1 91364964 IGQFYQZCQWJSQB-UYAOXDASSA-N 341.499 2.628 0 50 EFAA COc1cnc(CN(C)Cc2nc3cc(Cl)ccc3[nH]2)cc1O 243885788 ACGIJSSJGRQTDW-UHFFFAOYSA-N 332.791 2.958 0 50 EFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](O)CC(C)(C)C1 296830258 GJTFUKGEJGBEJY-INIZCTEOSA-N 327.428 2.804 0 50 EFAA COc1cnc2ccccc2c1C(=O)N1CC[C@@H](O)CC(C)(C)C1 297076250 VRPHJWROXSNHAK-CYBMUJFWSA-N 328.412 2.867 0 50 EFAA CCOc1c(Cl)cccc1CC(=O)N1CCC[C@H]1Cn1ccnn1 299743834 MOPMWVYOYHPPHR-AWEZNQCLSA-N 348.834 2.564 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299745335 YBQAZGWPDOGCAU-VUNQQRPYSA-N 342.439 2.682 0 50 EFAA Cc1n[nH]c([C@H]2CCCN2CCC(=O)Nc2ccc3c(c2)CCC3)n1 252482852 DPCKYAXVLAOQIF-QGZVFWFLSA-N 339.443 2.768 0 50 EFAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccc(Cl)cc2[nH]1 184169771 FWYPYQSNEOASTK-UHFFFAOYSA-N 340.770 2.921 0 50 EFAA Cc1noc(C2CCN(C(=O)Cc3c[nH]c4cc(F)ccc34)CC2)n1 299688057 LAPIDCMOICSNME-UHFFFAOYSA-N 342.374 2.947 0 50 EFAA c1ccc(-c2ccnc(N3CCN(C[C@@H]4CCCOC4)CC3)n2)cc1 252485148 GOBYZRTWMKCPSZ-KRWDZBQOSA-N 338.455 2.692 0 50 EFAA CCC1=NO[C@@H](C(=O)NCc2cc(-c3ccccc3OC)no2)C1 299788606 VMABLGSLJJJYLK-MRXNPFEDSA-N 329.356 2.521 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(F)c(C)c3)[C@H]2C1 299767443 LEIBZQNFYZRCPD-VDZJLULYSA-N 335.419 2.862 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCC(F)(F)F 299761518 TZZGBHXXLZKNFM-UHFFFAOYSA-N 330.266 2.737 0 50 EFAA CCC(=O)Nc1cc(NC(=O)NCC2(O)CCCCC2)ccc1OC 299776499 CHSBIXCNLYMLNT-UHFFFAOYSA-N 349.431 2.860 0 50 EFAA O=C(NCCc1nc2ccccc2o1)c1ccc(CN2CCCC2)o1 299761424 RILWYIIGKFLZQR-UHFFFAOYSA-N 339.395 2.989 0 50 EFAA CN1CCCC[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 299772406 WMOKSPHRNGNGDV-AWEZNQCLSA-N 348.834 2.533 0 50 EFAA CN(C[C@@H]1CCCN1C)C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 1362573985 LLUDTNPXCMXDDF-SCLBCKFNSA-N 349.862 2.776 0 50 EFAA CNC(=O)[C@@]1(C)CCCN(C(=O)C2(N3CCCCC3)CCCCC2)C1 952962968 DPLVLGXXCSXVKO-IBGZPJMESA-N 349.519 2.550 0 50 EFAA c1csc([C@@H](CNc2ccc3nccnc3n2)N2CCOCC2)c1 301125775 TUHCHCCSFIWIEY-CQSZACIVSA-N 341.440 2.572 0 50 EFAA CN(C[C@@H](O)CN1CCCC1=O)C1c2ccccc2-c2ccccc21 305204340 FYSKVOLICICMSA-OAHLLOKOSA-N 336.435 2.672 0 50 EFAA C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(C(N)=O)cn1)c1ccc(Cl)cc1 221790849 DKQAUIPAFAGTOM-OOVXXXAESA-N 343.814 2.961 0 50 EFAA CC[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H](O)C(F)(F)F 276818823 DCZKNIDIVBKFCF-MBNYWOFBSA-N 331.334 2.630 0 50 EFAA CO[C@H]1CC[C@H](C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)C1 667814380 PEAFGMHLJCPWKU-YOEHRIQHSA-N 339.395 2.509 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)C1 668282724 ZUIMFJIKSISFKT-RRFJBIMHSA-N 325.449 2.931 0 50 EFAA CCCn1cc(C(=O)N2CCCN(Cc3ccoc3)CC2)c(C)n1 1529182578 UXKWRUNNSBOJKR-UHFFFAOYSA-N 330.432 2.543 0 50 EFAA CN(C(=O)COc1ccc(F)c(Cl)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529197728 VGMZKNQBTHFZMJ-MPZDIEGVSA-N 341.810 2.866 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3c(Cl)cncc3Cl)C[C@@H]12 1704300966 DCZZCYGUZBABRG-HZPDHXFCSA-N 344.286 2.667 0 50 EFAA Cc1cnc(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)cn1 1775983095 RWRVBJHBXAMIMX-LBPRGKRZSA-N 334.383 2.578 0 50 EFAA CC(C)N1C[C@@H](CN2CC(OCc3ccccc3F)C2)CCC1=O 1775979648 NHWQFMXEABWOLY-OAHLLOKOSA-N 334.435 2.674 0 50 EFAA CCn1nc(C)c(CN2CCC(CCC(=O)NC3CC3)CC2)c1C 11662638 VVTPLZYFGSMGTB-UHFFFAOYSA-N 332.492 2.791 0 50 EFAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)c2ocnc2C)C1 12057417 RGCZKVAVSLOMDF-LBPRGKRZSA-N 346.358 2.866 0 50 EFAA CCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 18094112 KSLYGOVGBNCNFM-OAHLLOKOSA-N 334.441 2.831 0 50 EFAA CC[C@@]1(c2ccccc2)C(=O)N(CN2CCCCC2)C(=O)N=C1O 19799258 ZTYRCJNTGWMELW-SFHVURJKSA-N 329.400 2.697 0 50 EFAA O=C(CN1CCOCC1)Nc1cccc(-c2nc3ccccc3o2)c1 19799498 OEHJCTGHTRTJIY-UHFFFAOYSA-N 337.379 2.766 0 50 EFAA O=C(c1ccnnc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 201336263 KERLCWXSAGTIRM-CMKODMSKSA-N 337.423 2.769 0 50 EFAA Cn1nc(C(=O)N[C@H]2CCCC[C@H]2C(=O)O)cc1-c1ccc(F)cc1 1857532229 RDRMJXLJEBBEID-KGLIPLIRSA-N 345.374 2.599 0 50 EFAA COc1ccc2cc(-c3nccn3C[C@@H]3CCOC3)c(O)nc2c1 1857686990 MBIPOBMGJZMXAK-LBPRGKRZSA-N 325.368 2.849 0 50 EFAA CC(C)(C)NC(=O)COc1ccc(-c2nccn2[C@H]2CCOC2)cc1 1857708260 YNUMLTFUVIBVRR-HNNXBMFYSA-N 343.427 2.805 0 50 EFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)c3ccoc3C)[C@H]3CC[C@]2(C1)O3 1857731504 SUHLKAOCLIEZFU-JRBPQWBISA-N 344.455 2.763 0 50 EFAA C[C@]1(NC(=O)Nc2ncc(C3CCOCC3)s2)CCCOC1 333608225 DNZRIOCTABMKIX-HNNXBMFYSA-N 325.434 2.728 0 50 EFAA CC(C)(C)NC(=O)NCCS(=O)(=O)[C@@H]1CCCc2ccccc21 408514044 NVODDPWUPFCXBQ-OAHLLOKOSA-N 338.473 2.577 0 50 EFAA CC(C)(Cc1ccccc1Cl)NC(=O)N[C@H]1CCc2ncnn2C1 112748641 INIPBRRTZYMRHK-ZDUSSCGKSA-N 347.850 2.567 0 50 EFAA O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCCCO1 330805746 JTQCLAMKLKCJIL-ZIAGYGMSSA-N 342.233 2.558 0 50 EFAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)C2CCNCC2)C1 237671371 MNUBERXGXDMIGY-INIZCTEOSA-N 329.488 2.534 0 50 EFAA Cc1cc(C)cc(CS(=O)(=O)Nc2ccc3nc(C)nn3c2)c1 252509979 YZKQNHDLZWZSAK-UHFFFAOYSA-N 330.413 2.596 0 50 EFAA CSCC(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 19759075 ZIBSALLTUWXFCF-QGZVFWFLSA-N 333.501 2.505 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 156277747 CXPAEYPLGJQASB-QWHCGFSZSA-N 332.835 2.725 0 50 EFAA COc1ccc(F)cc1CC(=O)N(C)Cc1cc(C(=O)O)c(C)o1 263151077 NSHHGCLMADXHRO-UHFFFAOYSA-N 335.331 2.635 0 50 EFAA O=C(Cn1cccn1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 163155721 NMHQADFWTQKSPP-CYBMUJFWSA-N 330.457 2.625 0 50 EFAA O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)C1CCC(C(F)(F)F)CC1 907950406 VWSHLFMMEMBOSO-JFXCXVQXSA-N 333.350 2.971 0 50 EFAA CCc1ncc(CN2CCn3c(Cc4ccccc4F)nnc3C2)o1 930846984 ADKOMCMLSHYYLS-UHFFFAOYSA-N 341.390 2.574 0 50 EFAA CCc1nc(N2CCN(c3nnc(C)s3)CC2)c2ccsc2n1 1120962456 IPLHWUBHOBSQGK-UHFFFAOYSA-N 346.485 2.740 0 50 EFAA O=C(NCc1ccccc1C(=O)O)Nc1cc2c(cn1)CCCC2 864606380 ROKFEIAKDLNJPI-UHFFFAOYSA-N 325.368 2.980 0 50 EFAA O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C1(F)CCCCC1 952881253 GQCVVUBIDGJSGV-SNVBAGLBSA-N 348.344 2.691 0 50 EFAA Cc1ccccc1CC[S@](=O)Cc1nn(C)cc1Br 1875279303 OMBBTGLYSQRCGR-IBGZPJMESA-N 341.274 2.982 0 50 EFAA CCCn1ncc(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1C1CC1 1875265773 NNEVTBMZPNYLQM-CZUORRHYSA-N 333.480 2.974 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cccc3c(OC)ccnc23)CC1 1875363724 VHOZKZJXOAJJMB-UHFFFAOYSA-N 339.395 2.607 0 50 EFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCC1(c2ccccc2)CCC1 1875398251 ISSDUBOKGQSHDQ-QXAKKESOSA-N 325.456 2.734 0 50 EFAA CC[C@@H](O)c1cn([C@@H]2CCCN(c3cc(C)ccc3F)C2=O)nn1 881303966 PJARTZXQESOFLN-GDBMZVCRSA-N 332.379 2.537 0 50 EFAA Cn1cnnc1[C@H]1CCCN1c1cccc(-n2cnc3ccccc32)n1 893070328 GPQIHVFVASWNLH-MRXNPFEDSA-N 345.410 2.891 0 50 EFAA Nc1ncnc(NCCc2nccn2Cc2ccccc2)c1Cl 302777238 GCCXDMVHHIAFIG-UHFFFAOYSA-N 328.807 2.612 0 50 EFAA NC(=O)NC1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 2325733961 RXBJJDSJWFQDDS-NRXISQOPSA-N 333.432 2.950 0 50 EFAA C[C@H]1CC(CNC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)=NO1 2325794838 TVJNATOHNXZQBY-LBPRGKRZSA-N 337.379 2.578 0 50 EFAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc(-c2cccs2)s1 2325797122 NAFFAZDMAOYADW-STLRTNHMSA-N 349.477 2.584 0 50 EFAA C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1N1CCOCC1 2325797408 PTBKRHITTWGIDD-CVEARBPZSA-N 332.444 2.660 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)C[C@@H]3C[C@@H](N)C3(C)C)CC2)c1 2325799730 USBMXTNGRAGMDW-KBXCAEBGSA-N 347.478 2.983 0 50 EFAA Cc1ccccc1CC(=O)N1CCc2cc(C(=O)O)c(F)cc2C1 2325803065 NYHPEXXHDINVMO-UHFFFAOYSA-N 327.355 2.960 0 50 EFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 39137 WUHJYRYFGDVMSR-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cccc3)cc2)n1 80766 MECPRKCBPHMOQU-UHFFFAOYSA-N 328.397 2.685 0 50 EFAA O=C(COCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348260187 NFJMSFZJVLGDSS-ZWKOTPCHSA-N 329.371 2.677 0 50 EFAA COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2181324 HDHNQWGSDXNDSJ-UHFFFAOYSA-N 347.367 2.982 0 50 EFAA COc1cc(OC)c(OC)cc1CNCc1ccc2c(c1)OCO2 2901149 MIOHSDYFTPOXGZ-UHFFFAOYSA-N 331.368 2.731 0 50 EFAA CC(C)CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 4725542 QQCDZBDQAHHQQF-UHFFFAOYSA-N 343.515 2.699 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc1 6725584 NJQCPDAOZOUKIB-TUHYSUIHSA-N 330.384 2.721 0 50 EFAA O=C(CCCn1cccn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 51469330 LLTITHMOBUDIHW-MRXNPFEDSA-N 333.819 2.917 0 50 EFAA CC(C)C[C@H](NC(=O)c1ccccc1NCc1cccs1)C(N)=O 55166703 DPDCJRSSYLTYTF-INIZCTEOSA-N 345.468 2.990 0 50 EFAA C[C@@]12CC3CC(C(=O)NCC4(CO)CCOCC4)(C1)C[C@](C)(C3)C2 55371222 VCQSUQDBDZLIFC-IRWCKZJRSA-N 335.488 2.888 0 50 EFAA COCCN(Cc1cccc(OCCO)c1)Cc1ccccc1F 55270813 ICQSFKRLEYZITP-UHFFFAOYSA-N 333.403 2.845 0 50 EFAA CCCCN(Cc1ccc(C)s1)C(=O)[C@H](C)N1CCN(C)CC1 55052910 PHZRGUFGGKAIFP-INIZCTEOSA-N 337.533 2.821 0 50 EFAA O=C1C[C@H](c2ccccc2)CN1Cc1nc(Cc2ccccc2)n[nH]1 65494024 OTAFXQOSCYEPQA-KRWDZBQOSA-N 332.407 2.912 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1csc(C(C)C)n1)C2 67956027 JVHAKIPTAPUOHK-LLVKDONJSA-N 348.472 2.828 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)C[C@@H]3CCCCO3)cc2c1 67833400 RDKSGNAEBYLEGK-KRWDZBQOSA-N 330.428 2.928 0 50 EFAA C[C@@H](C(=O)N1CCCC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 229494124 AYWVCLDAIASRHC-BLLLJJGKSA-N 340.826 2.863 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(C)C)on2)C1 229858572 XHOXUALUNVWKGT-ZSDNHXBWSA-N 327.450 2.999 0 50 EFAA CC1(C)[C@H](NC(=O)NC[C@H](c2ccco2)N2CCCC2)[C@@H]2CCO[C@H]21 230088215 RGSJGYKRYNIYGH-XOSAIJSUSA-N 347.459 2.529 0 50 EFAA CN(C)CCN(C)[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 39380907 JVRLBFMOZAYPDG-MRXNPFEDSA-N 341.446 2.746 0 50 EFAA Cc1c(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cnn1CC(C)C 252537604 LSMHMZSPSUEQBF-AWEZNQCLSA-N 335.354 2.989 0 50 EFAA O=C(Nc1ccccc1F)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 121290260 VNIMURIICVKDAN-AWEZNQCLSA-N 334.391 2.714 0 50 EFAA CCOC(=O)[C@@](O)(CC(=O)Nc1cccc(Cl)c1)C(F)(F)F 2769656 DWEWCYDXQAJNKR-LBPRGKRZSA-N 339.697 2.525 0 50 EFAA CCn1ccnc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 330190481 MNDKOEXNCCQVRL-QWHCGFSZSA-N 345.403 2.505 0 50 EFAA COc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)c1 328652371 WKKHGOHEAWGJHJ-OAHLLOKOSA-N 340.427 2.779 0 50 EFAA C[C@@H](Oc1ccc2c(c1)OCO2)c1nn2c(C3CC3)nnc2s1 71753432 OUPPFILCPDSQRV-MRVPVSSYSA-N 330.369 2.932 0 50 EFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(N(C)C)c2)on1 331784599 FRXVVMTVOZFFAO-OAHLLOKOSA-N 335.429 2.575 0 50 EFAA COc1ccc(C)cc1NC(=O)Cn1ccnc1-c1[nH]cnc1C 77376486 BQKMWBXZYWDGAB-UHFFFAOYSA-N 325.372 2.537 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 282490035 VYFCYDBIPBHFFX-MLGOLLRUSA-N 335.354 2.690 0 50 EFAA CC(C)OC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72139065 FEKGSGGBJBHBGM-UHFFFAOYSA-N 341.415 2.508 0 50 EFAA COc1ccc(C(=O)N2CCC[C@](C)(O)CC2)c(OCC2CC2)c1 375906560 TYJMYDXCMLTSGD-IBGZPJMESA-N 333.428 2.861 0 50 EFAA CO[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@H]1N 71763696 RNQMTJITLNOKDC-MSOLQXFVSA-N 326.396 2.667 0 50 EFAA O=C1C[C@@H]([C@H]2CCCCN2C(=O)CCn2ccc3ccccc32)CN1 131151987 WTHGQACXRCMNMX-SJLPKXTDSA-N 339.439 2.549 0 50 EFAA CCCC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77406828 YGOHXQRIXZZMPC-UHFFFAOYSA-N 345.491 2.715 0 50 EFAA Cn1cc([C@@H]2CCN(Cc3cc(O)ccc3Br)C2)cn1 128506904 RZTOHSWNKSRUEM-LLVKDONJSA-N 336.233 2.878 0 50 EFAA O=C(N[C@@H]1CCSc2ccccc21)N1CCC[C@H](n2cncn2)C1 173377412 ZOLJLBWHNGZHMW-DZGCQCFKSA-N 343.456 2.862 0 50 EFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@H]1OCCc2ccccc21 237658996 VETCDBMKLOPYOA-HKUYNNGSSA-N 339.391 2.941 0 50 EFAA CS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C)C1 241326132 LZMIDVGULIBKRZ-LEOABGAYSA-N 338.517 2.766 0 50 EFAA O=C(N[C@H](C(=O)O)C1CC1)c1ccc(COc2ccc(F)cc2)o1 262130736 KHCGNUHZVMJLPS-HNNXBMFYSA-N 333.315 2.591 0 50 EFAA CC(C)c1ncc(CN2CCC([C@@H](C)N3CCOCC3)CC2)cn1 215166549 YGXPBKLJRSPMSV-MRXNPFEDSA-N 332.492 2.533 0 50 EFAA Cc1cccc([C@H](NC(=O)c2cn(-c3ccccc3)nn2)C2CC2)n1 215799914 BQOHWODEZJEIPE-GOSISDBHSA-N 333.395 2.852 0 50 EFAA O=C([C@@H]1CC12CCC2)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1 72421855 YUYGFUSWNAXFEG-HNNXBMFYSA-N 347.386 2.841 0 50 EFAA C[C@H](CC(=O)c1ccccc1)NC(=O)c1cnc(C2OCCO2)s1 283492980 QPYOQADCRBVNBO-LLVKDONJSA-N 346.408 2.580 0 50 EFAA CCc1cc(C)c(C(=O)N[C@@H](C(=O)O)c2ccc(OC)cc2OC)o1 455884012 AMMSBFHAFNMWER-OAHLLOKOSA-N 347.367 2.723 0 50 EFAA C[C@@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@H]1N1CCOCC1 173826829 BKAWKEHLZRWHMQ-OXQOHEQNSA-N 338.451 2.561 0 50 EFAA Cc1ccc2[nH]cc(CCC(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2c1 174025785 PCDWINRAZQRLJK-HIFRSBDPSA-N 327.428 2.521 0 50 EFAA CN(C[C@H]1CCCN(Cc2cc3ccccc3o2)C1)S(C)(=O)=O 285532027 HLIQCUGNFZHOIM-CQSZACIVSA-N 336.457 2.536 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)[C@@H]2OCCc3ccccc32)C(=O)O)c1 263196764 YELSKVRCARQRFM-ZWKOTPCHSA-N 339.391 2.859 0 50 EFAA Cc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1=O 82097896 FHPZMWAVVBKFEW-INIZCTEOSA-N 338.407 2.638 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 263273496 RWDIRWWLPMUJNA-KRWDZBQOSA-N 345.424 2.816 0 50 EFAA COCCn1nc(C)c(NC(=O)N2CCc3sccc3C2)c1C 176006904 JEKKDUSNFMYXNA-UHFFFAOYSA-N 334.445 2.798 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccn(-c2ccccc2Cl)n1 288459341 ADAKUWMMVDMENJ-LLVKDONJSA-N 332.791 2.523 0 50 EFAA C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@H](CN)C1 178552326 DZIBLWBYVNLAJG-LSDHHAIUSA-N 339.439 2.652 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CC(Oc2ccccc2Cl)C1 95376674 TXGDALQIBMUJQE-UHFFFAOYSA-N 327.718 2.835 0 50 EFAA Cc1cccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 97463510 GYRHRRDCWCPTHJ-UHFFFAOYSA-N 343.378 2.583 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@@]2(CCCNC2=O)C1 91845778 NZIUYPYFJOFFGV-NRFANRHFSA-N 349.434 2.799 0 50 EFAA Cc1nonc1OCCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 426369201 NDRCBLPPXCLELG-IBGZPJMESA-N 341.411 2.775 0 50 EFAA Cc1nc(CNC(=O)c2ccc(OC(C)(C)C)cn2)ccc1[C@H](C)O 294372475 CDPMGJJJLLRJCQ-ZDUSSCGKSA-N 343.427 2.946 0 50 EFAA Cc1ncsc1CCCNC(=O)N(Cc1cnn(C)c1)CC(C)C 426477989 JOVOUCDFHGARJT-UHFFFAOYSA-N 349.504 2.985 0 50 EFAA CCN1CC2(CCC1=O)CCN(Cc1cc(OC)cc(OC)c1)CC2 91713698 OVGTULOXVOKYJH-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA Cc1nonc1CN1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91350938 OLRMYHRKHZXXRB-GOSISDBHSA-N 332.448 2.525 0 50 EFAA c1cc(CN2CCC(c3nnc4ccccn34)CC2)n2ccnc2c1 179611668 YNOBNKJSMAYEAO-UHFFFAOYSA-N 332.411 2.757 0 50 EFAA CN(CCCNC(=O)[C@H]1Cc2ccccc2CN1C)c1ccccc1 95374732 AWUVMYKMZDSXNL-HXUWFJFHSA-N 337.467 2.686 0 50 EFAA FC(F)(F)c1ccc(N2CCC(NCc3ccon3)CC2)nc1 95353476 QHQBAQLIROSXDY-UHFFFAOYSA-N 326.322 2.847 0 50 EFAA FC(F)(F)CN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95499176 NXZYNPNLGVMDIY-CQSZACIVSA-N 328.378 2.808 0 50 EFAA Cc1nccn1CC1CCN(CCC(=O)NCc2cccs2)CC1 244852583 UVBGILPGYKJELD-UHFFFAOYSA-N 346.500 2.672 0 50 EFAA CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 244216968 VXOAHQOTQIVMGZ-AWEZNQCLSA-N 329.444 2.500 0 50 EFAA COc1ccc(CN(C(=O)c2cnc3c(c2)ncn3C)C2CC2)cc1 183571225 UHSPKVLJXPETTD-UHFFFAOYSA-N 336.395 2.782 0 50 EFAA CCc1ccc(CCOC(=O)c2cccc(C[S@@](C)=O)c2)nc1 184750979 XOCVLFHGKITGNG-HSZRJFAPSA-N 331.437 2.922 0 50 EFAA Cc1cc(N)nc(C)c1-c1ccc(C(=O)NCC2CCNCC2)cc1 534590904 OFYNXAQJNZPLOM-UHFFFAOYSA-N 338.455 2.677 0 50 EFAA O=S(=O)(Cc1cccc(F)c1)N1CC[C@@]2(C1)OCc1ccccc12 185133917 DVULDZZDTREHHK-SFHVURJKSA-N 347.411 2.787 0 50 EFAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1 299788886 VEXDCAQVZOYOOA-WBVHZDCISA-N 341.480 2.834 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)n1C(F)F 299765218 KLKRIRRUFHXJSM-LBPRGKRZSA-N 327.375 2.568 0 50 EFAA CCCc1nc2ccccc2n1[C@@H](CC)c1nc(C)nn1CCO 823018903 RBXACYPLAFNNJD-HNNXBMFYSA-N 327.432 2.880 0 50 EFAA CC(C)[C@@H](CNC(=O)c1cc(O)c2cccc(F)c2n1)N1CCCC1 670441789 XEYVVTZKKZANMJ-MRXNPFEDSA-N 345.418 2.930 0 50 EFAA CC(=O)c1nc(NC(=O)c2cc(C)nc3cc(C)nn23)sc1C 1353435330 LPTAEPBFPXNDBF-UHFFFAOYSA-N 329.385 2.566 0 50 EFAA COc1ccc(C[C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)c(C)c1OC 866444739 CKKKSUPGSWJYCF-STZFUDPLSA-N 331.456 2.956 0 50 EFAA Nc1nc(NCc2cccc(C(F)(F)F)c2)cc(-n2cccn2)n1 301651251 SCSLIMXTORIRBX-UHFFFAOYSA-N 334.305 2.875 0 50 EFAA COCCOCCOc1ccc(C(F)(F)F)nc1Br 408514330 UVBRLXZOBYAUNZ-UHFFFAOYSA-N 344.127 2.905 0 50 EFAA CO[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)C[C@H]1OC 277049291 NGJDJTLGQWNCPT-HDICACEKSA-N 325.408 2.691 0 50 EFAA Cc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccccc1C(N)=O 165463985 CFCGQLSDFTVXKM-GOSISDBHSA-N 337.423 2.870 0 50 EFAA COc1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cc2c1OCO2 275465646 HLJFVALLKOINRO-MAUKXSAKSA-N 342.395 2.829 0 50 EFAA CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccsc2Cl)C1 189334264 UGXPFCYLYSKCBH-NSHDSACASA-N 331.869 2.880 0 50 EFAA COc1ccc(CCNC(=O)N2CCSCC[C@H]2C)cc1OC 190321361 FXKKZTVEOJGQKQ-CYBMUJFWSA-N 338.473 2.783 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 191595539 VRSZKRACABTULO-GOSISDBHSA-N 339.391 2.859 0 50 EFAA COc1ccc(CNC(=O)CNC(=O)c2ccc(C)cc2Cl)cc1 191575392 LFHQHNIWRMWRIN-UHFFFAOYSA-N 346.814 2.703 0 50 EFAA O=C(NC1CCN(CC2CC2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 194233861 NZAIRCZLXKBQNO-HNNXBMFYSA-N 348.874 2.882 0 50 EFAA C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1c[nH]nc1C(F)(F)F 1875319576 IWJUPAPCPSKLJL-GXSJLCMTSA-N 348.369 2.774 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCC([C@H](O)c2cccs2)CC1 1506420455 HWDIYXGTPIAGOY-ZDUSSCGKSA-N 341.383 2.926 0 50 EFAA Cc1cc(C(N)=O)c(NC2CCN(C3CCSCC3)CC2)nc1C 1704304185 PIBBILFECIJHSL-UHFFFAOYSA-N 348.516 2.569 0 50 EFAA O[C@@H]1CCCN(c2ccnc(N3CCc4c(Cl)cccc4C3)n2)C1 1704299829 KRNYRFGIGOXXIE-CQSZACIVSA-N 344.846 2.654 0 50 EFAA Cc1cc(C[C@@H]2CN(c3ncnc4sc(C)c(C)c34)C[C@H]2O)on1 1704358254 HVKBKRWHVZBIII-TZMCWYRMSA-N 344.440 2.644 0 50 EFAA O=C(C1CCOCC1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210329926 ODPAKULWHHNCDF-UXHICEINSA-N 339.435 2.943 0 50 EFAA CCc1nn(C[C@@H]2CCCS(=O)(=O)C2)c(CC)c1Br 1875275600 BJLSIQBFSKSFSP-JTQLQIEISA-N 349.294 2.595 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccccc1C(F)(F)F)C2 1772703767 PYERDQOHGDQZJY-DOMZBBRYSA-N 329.318 2.629 0 50 EFAA Cc1cc(NS(=O)(=O)c2cccs2)ccc1N1CCCC1=O 5329311 RZVNHQVDRRRZQB-UHFFFAOYSA-N 336.438 2.984 0 50 EFAA COc1ccc(CNC(=O)CCCC(=O)OCC(F)(F)F)cc1 5661517 YZPCHVPTWOEUFT-UHFFFAOYSA-N 333.306 2.587 0 50 EFAA CCCOc1ccc(-n2nnc(C(=O)NCc3ccco3)c2C)cc1 11692828 HARHFPQOMAEQEO-UHFFFAOYSA-N 340.383 2.888 0 50 EFAA COCCN(C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1)C(C)C 11844315 TWYQHBSDGIBEOQ-QGZVFWFLSA-N 338.492 2.689 0 50 EFAA COc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1OC 12650141 YCHBBPYKSIETDT-UVTDQMKNSA-N 340.404 2.966 0 50 EFAA CC[C@@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13710975 FTJGEFKARGJRPB-KRWDZBQOSA-N 346.452 2.548 0 50 EFAA O=C(c1cc(=O)c2ccccc2o1)N1CCc2[nH]nc(C3CC3)c2CC1 1857667800 KRPWUTKGBYIYDH-UHFFFAOYSA-N 349.390 2.635 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3cccc(C(=O)OC)c3)CC2)O1 1857706506 WHKLFEHUZLPWAA-MSOLQXFVSA-N 347.455 2.758 0 50 EFAA C[C@H](c1ccccc1F)N(C)S(=O)(=O)c1cccc(C(=O)O)c1 321005157 OGXZQCRRMMIUEJ-LLVKDONJSA-N 337.372 2.906 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 237373001 IDFDVARYYIKJOM-MRVPVSSYSA-N 330.306 2.734 0 50 EFAA CC(=O)NCC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 242047823 VQJQIWATPBWCGO-AWEZNQCLSA-N 339.233 2.557 0 50 EFAA CCOc1ccc(NC(=O)[C@@H](CC)n2c(N)nnc2SC)cc1 16625832 NTUUEPDNCKDGSM-GFCCVEGCSA-N 335.433 2.571 0 50 EFAA Cc1cccc([C@@H]2CCCN2C(=O)COCc2nccn2C)c1C 669118187 UGPQOPUFFUWRJI-KRWDZBQOSA-N 327.428 2.917 0 50 EFAA Cc1nccnc1N1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 685038935 HDBAMOLGPPXXPJ-UHFFFAOYSA-N 340.475 2.717 0 50 EFAA CO[C@]1(C)C[C@H](N(C)C(=O)CCc2ccccc2C(=O)O)C1(C)C 262051788 ALLCVPQEIJVSDL-HNAYVOBHSA-N 333.428 2.979 0 50 EFAA Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)c1 905186705 BDJTXDFMGHJHMO-NSHDSACASA-N 331.821 2.666 0 50 EFAA CC(C)Oc1c[nH]ccc1=NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 934649872 FATLMXAGMFKISK-ZDUSSCGKSA-N 349.822 2.620 0 50 EFAA Cc1cc(COCC(=O)Nc2nc3cccc(Cl)c3n2C)no1 1121103420 RMBRVPCAHKDCIQ-UHFFFAOYSA-N 334.763 2.678 0 50 EFAA Cn1nccc1C1=CCN(C(=O)[C@H](O)C2CCCCCCC2)CC1 935916304 GKZCZXOIHHJXEG-GOSISDBHSA-N 331.460 2.757 0 50 EFAA CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)NCc1cc[nH]n1 864095492 NQPHYBAVGLSNTR-CQSZACIVSA-N 336.436 2.596 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c(Cl)c1C 952888559 LKCMGFUHDZVXOF-FZMZJTMJSA-N 334.807 2.583 0 50 EFAA CO[C@H](CNC(=O)c1cccn1Cc1ccncc1)C1CC(F)(F)C1 1875297628 ZAZNBPZJKQRXPB-MRXNPFEDSA-N 349.381 2.722 0 50 EFAA CC(C)(C)n1cc(Cn2c(Cc3ccc(F)cc3)noc2=O)cn1 1875315720 FLTMWAWHXHSVOW-UHFFFAOYSA-N 330.363 2.566 0 50 EFAA CC(=O)Nc1cccc(Cn2nnc(Cc3c[nH]c4ccccc34)n2)c1 1875341155 IJINTNZHRWWPLA-UHFFFAOYSA-N 346.394 2.752 0 50 EFAA CC[C@@H](C)Oc1ccccc1C(=O)N1CCN(c2ncc[nH]2)CC1 1775986603 DYJMEDSWAQUIQU-CQSZACIVSA-N 328.416 2.549 0 50 EFAA Cc1csc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)n1 1775990589 NSUDTNUBWLQSRT-AWEZNQCLSA-N 340.412 2.749 0 50 EFAA COCc1ccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)cc1 1775956990 NAYOJDYAFWVGRK-AZUAARDMSA-N 342.439 2.896 0 50 EFAA COc1cc(N=c2[nH]nc(-c3sc(C)nc3C)o2)cc(OC)c1 2100483528 BUDJFYTZTULGPO-UHFFFAOYSA-N 332.385 2.993 0 50 EFAA Cc1nsc(N(C)C[C@@H](O)c2ccc(Br)cc2)n1 2325751995 PJPYIICSOIILIB-LLVKDONJSA-N 328.235 2.779 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cc3ccc(F)cc3nc2O)[nH]c1C 2325857269 VRTJRUQUBLHQEB-SNVBAGLBSA-N 328.347 2.910 0 50 EFAA N[C@@H](CNC(=O)c1c[nH]nc1-c1ccco1)c1cc(F)cc(Cl)c1 2325859277 UBTMADQWLVKXGX-ZDUSSCGKSA-N 348.765 2.892 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 63563 VJSUNBMMSTZWAY-UHFFFAOYSA-N 328.393 2.908 0 50 EFAA CCc1ccccc1CNS(=O)(=O)c1c(C)oc(C)c1C(=O)O 133086029 DSOGJBKDCMQSSF-UHFFFAOYSA-N 337.397 2.636 0 50 EFAA Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C 420548 NPIYAOGGMLEGPV-UHFFFAOYSA-N 339.424 2.916 0 50 EFAA CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(Cl)c(Cl)c2)S1 448677 LWQFPVYFAAPMTF-NSHDSACASA-N 332.212 2.994 0 50 EFAA COc1ccc(C(=O)[C@@H]2O[C@@H]2c2ccc3c(c2)OCO3)cc1OC 2144008 FWQVZPHZWBGRQU-MSOLQXFVSA-N 328.320 2.755 0 50 EFAA CCCCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 2879803 VEILCWPTXOKNOB-LBPRGKRZSA-N 346.880 2.801 0 50 EFAA CCOc1ccc(C(=O)CCN[C@@H](Cc2ccccc2)C(=O)O)cc1 4803458 XRLSZTFTNPVHOJ-SFHVURJKSA-N 341.407 2.944 0 50 EFAA Cc1cccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)c1 4839842 VPXAQRKRYJQYJQ-UHFFFAOYSA-N 329.381 2.524 0 50 EFAA C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2)C1 10544124 FAGMJSGZQOPNBM-GASCZTMLSA-N 342.480 2.613 0 50 EFAA O=C(C1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)N1CCCC1 55211793 TXAGZFOGVGOTBE-RBUKOAKNSA-N 333.520 2.585 0 50 EFAA CC[C@H](CO)N1CCN(C(=O)c2ccc(F)c3ccccc23)CC1 280460391 MBNXTVZIBBNFGX-CQSZACIVSA-N 330.403 2.508 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)C1 113136420 ODQCULOJGXVZQM-RBUKOAKNSA-N 328.456 2.787 0 50 EFAA Cc1c(NC(=O)CCc2cc(O)no2)cccc1C(=O)NC(C)(C)C 55154648 PPHDZLVJKYHCBY-UHFFFAOYSA-N 345.399 2.788 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N(CC)Cc2nnc(CC)o2)cc1 55401294 IGLIPHZVAHBBAS-UHFFFAOYSA-N 345.399 2.652 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1C[C@H]1C 246955954 KUBGQIFXROKLKF-LQPBRMSDSA-N 332.419 2.753 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)CSc2nccn2C)c1 53352797 NYEKUWJJHHVHME-HNNXBMFYSA-N 331.441 2.885 0 50 EFAA Cc1c(C(=O)NCCNC(=O)C(F)(F)F)sc2ccccc12 67847312 QYVZKMRBOSCDQD-UHFFFAOYSA-N 330.331 2.618 0 50 EFAA CC(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)n(C)n1 65431323 YBARFSMVTXIRBF-UHFFFAOYSA-N 339.443 2.793 0 50 EFAA CCOc1ccc(-c2noc([C@]3(C)CCN(C(C)=O)C3)n2)cc1F 350496343 QQIOJVWIPAJMBG-QGZVFWFLSA-N 333.363 2.784 0 50 EFAA C[C@@H](Sc1ccccc1C(=O)Nc1cccc2nccn12)C(N)=O 253396851 WJVUAHQZKYWMMW-LLVKDONJSA-N 340.408 2.553 0 50 EFAA Cn1cccc1CNCC1CCN(C[C@@H](O)c2ccccc2)CC1 119120415 BWYVJQVWRQFGGJ-HXUWFJFHSA-N 327.472 2.560 0 50 EFAA C[C@H](NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1)c1ccncn1 20861706 UOUGNWVBWNTMPF-NSHDSACASA-N 335.367 2.895 0 50 EFAA CN(Cc1cc[nH]n1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 20137381 BYBKHOMXMRBFBA-QGZVFWFLSA-N 330.451 2.935 0 50 EFAA COc1cc(C)c(-c2nc(CN3CCNC(=O)CC3)c(C)o2)cc1C 67723317 YOZSRLFOWSEEST-UHFFFAOYSA-N 343.427 2.597 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 252511450 GYESPOYMRVPPEE-SOUVJXGZSA-N 331.464 2.943 0 50 EFAA C[C@@H](c1ccccc1)n1c(SCC(=O)O)nnc1C1CCOCC1 67739897 SZUURKDUNPRKOU-LBPRGKRZSA-N 347.440 2.958 0 50 EFAA CCOc1cccc2c1OC[C@H](C(=O)O[C@@H]1[C@H]3CCO[C@@H]3C1(C)C)C2 252515486 KKAWYKXSEOJKCP-IDCJVQTKSA-N 346.423 2.993 0 50 EFAA O=C1C[C@@H](c2nc(CCc3ccccc3)n[nH]2)CN1Cc1ccccn1 65494117 RBIMWFLNEZCZCO-MRXNPFEDSA-N 347.422 2.501 0 50 EFAA CCCNC(=O)c1nn(CC)cc1NC(=O)c1c(F)cccc1F 2795669 LFSORFLOKMWQOS-UHFFFAOYSA-N 336.342 2.573 0 50 EFAA Cc1nc[nH]c1-c1nccn1Cc1nc(Cc2cccs2)no1 77343743 SBPIHNBQUFQYMD-UHFFFAOYSA-N 326.385 2.665 0 50 EFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ncccc4O)C3)nc12 77487184 CWVPAAPBQQGCFQ-ZDUSSCGKSA-N 336.395 2.992 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCc1ccccn1 328631873 RMBLZBQVUQYSGZ-PXNSSMCTSA-N 338.455 2.561 0 50 EFAA CCc1nc2c(N3CCN(Cc4cccc(F)c4)CC3)ncnc2o1 77301816 WVTLCTNRIIRQRF-UHFFFAOYSA-N 341.390 2.642 0 50 EFAA CNc1nc(CN2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)cs1 72174011 HLRBRMLOSJQUQB-HNNXBMFYSA-N 336.505 2.654 0 50 EFAA CN(C[C@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2)n1 12595742 HWHNOUXNKOICIC-OAHLLOKOSA-N 343.427 2.810 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ncc[nH]1 77535867 VKUXXLFMALZFSD-INIZCTEOSA-N 340.427 2.550 0 50 EFAA Cn1c(CN2CCO[C@H](C3CCCCC3)C2)nc2ccccc2c1=O 368333395 QRRSWJJCSQQGQL-SFHVURJKSA-N 341.455 2.715 0 50 EFAA O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1 241588105 OZRPIRKCJGJNFT-KFWWJZLASA-N 339.395 2.655 0 50 EFAA CC1(C)CCc2sc(NC(=O)N3CCOCC(F)(F)C3)nc21 333130911 AYYJAZSGLUNMOF-UHFFFAOYSA-N 331.388 2.866 0 50 EFAA CCn1cccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c1=O 333393991 MOUZJQRHKMDMNH-INIZCTEOSA-N 345.443 2.681 0 50 EFAA COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1C(=O)O 237324618 RZXKZZPMSRRECC-GJZGRUSLSA-N 343.354 2.952 0 50 EFAA Cc1nc2c(c(N[C@H]3CCO[C@@H](c4ccnn4C)C3)n1)CCCC2 333753579 YDZADYNIBUEWLN-SUMWQHHRSA-N 327.432 2.730 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@](CO)(c3ccccc3)C2)cc1 374560903 ZPPUJGNKOAWGQW-NRFANRHFSA-N 338.451 2.572 0 50 EFAA COc1cccc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2N)c1 214985648 ONIDSQAAPYIWLD-INIZCTEOSA-N 328.416 2.536 0 50 EFAA CN(CCc1ccncc1)c1ccnc(N(C)CCc2ccncc2)n1 243389667 MLMDFSINVBVEJV-UHFFFAOYSA-N 348.454 2.624 0 50 EFAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccccc1Cn1cncn1 377583799 NIHAWQOTQHIJGE-UGSOOPFHSA-N 349.394 2.970 0 50 EFAA Cc1nc2c(c(N[C@@H](Cn3ccnc3)c3ccccc3)n1)CCNCC2 72448564 LOGCCIXAGNYZHQ-IBGZPJMESA-N 348.454 2.523 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)c1 130215880 VUYZFXRIKUJBNQ-SFHVURJKSA-N 326.396 2.921 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 131899018 RJSWJHICCGVAHK-LLVKDONJSA-N 346.412 2.517 0 50 EFAA C[C@H]1C[C@H](C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCO1 263008704 WFLHCQUPESKHBY-VHSXEESVSA-N 327.764 2.557 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCCc1ccco1 72474587 VDGJCMGCTSDLKF-GOSISDBHSA-N 347.503 2.525 0 50 EFAA COc1cccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 174351937 GWQLTLOUGFGURR-UHFFFAOYSA-N 339.370 2.993 0 50 EFAA COCc1nsc(NCc2cccnc2OCC(F)(F)F)n1 174421370 FNKPGNCFKWTBCE-UHFFFAOYSA-N 334.323 2.633 0 50 EFAA CC(C)n1cnnc1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 174638194 QJZSUHWRXLYRAP-KRWDZBQOSA-N 341.459 2.530 0 50 EFAA Cc1nnc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1C1CC1 286791762 OZMKXTQJRNKSMI-CXAGYDPISA-N 339.443 2.628 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)[C@H](O)c1ccc(F)cc1 220443453 OACMYSFHAKVKLS-OAHLLOKOSA-N 333.363 2.606 0 50 EFAA O=C(NCCN1CCC(O)CC1)c1ccccc1Oc1ccccc1 222380127 XOLGXYWLGOENKI-UHFFFAOYSA-N 340.423 2.665 0 50 EFAA CCOC1(C(=O)NC[C@@]2(COC)OCCc3ccccc32)CCCC1 291275047 QMOPMHKLLYKWFD-FQEVSTJZSA-N 347.455 2.567 0 50 EFAA CS(=O)(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)cc1 222663712 OUYXXZNNSYVWOO-HNNXBMFYSA-N 329.421 2.686 0 50 EFAA C[C@@H]1C(=O)N(c2ccccc2)CCN1C(=O)c1cnc2ccccc2n1 220170566 ABVOWNLGJMSVNV-CQSZACIVSA-N 346.390 2.507 0 50 EFAA OCCn1nccc1C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 177698313 SQIXJCCGZCWMJV-LJQANCHMSA-N 329.419 2.881 0 50 EFAA COc1ccccc1OC1(C(=O)O)CCN(c2ncccc2F)CC1 82086537 KLMFKQILDZFYJP-UHFFFAOYSA-N 346.358 2.732 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccccc3C(C)=O)[C@H]2C1 426397610 PZOIOBJPOLDIPO-UCLAIMLFSA-N 331.412 2.688 0 50 EFAA CS[C@@H](C)CCN1CCC2(CCC(=O)N(CCCCO)C2)CC1 91350532 ZSOUZJRBGFJBQS-INIZCTEOSA-N 342.549 2.605 0 50 EFAA COc1nccnc1N1CCC[C@@H](c2nccn2CC2CCC2)C1 95387217 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221769846 LEQIGROMPLAZBH-OIISXLGYSA-N 330.428 2.932 0 50 EFAA CC(C)COCCCNC(=O)[C@H](C)NC(=O)c1ccccc1Cl 170118454 GYYOKYCYCQTSQE-ZDUSSCGKSA-N 340.851 2.637 0 50 EFAA Cn1ccnc1C[C@H]1CCCN(Cc2cnn(C)c2C(F)(F)F)C1 170590943 QJXGBWVMCIDPQX-GFCCVEGCSA-N 341.381 2.627 0 50 EFAA CCOc1ccc2c(c1)[C@H](NC(=O)c1cccnc1OC)CCO2 185588957 FUWOEVQRKNNUIM-OAHLLOKOSA-N 328.368 2.743 0 50 EFAA CN1C(=O)CCc2cc(CN3CCO[C@@H](c4nccs4)C3)ccc21 186928970 NXNITRLOAFTBDZ-MRXNPFEDSA-N 343.452 2.626 0 50 EFAA CC1(NS(=O)(=O)c2ccc(OC3CCOCC3)c(F)c2)CCC1 187560136 HEOMCPICZRVSOV-UHFFFAOYSA-N 343.420 2.604 0 50 EFAA CCN(C(=O)Cc1ccc(NC(=O)C(C)(C)O)cc1)c1ccccc1 191778713 VPGOUQUJVPEGEX-UHFFFAOYSA-N 340.423 2.992 0 50 EFAA Cc1cc(C)n(C2CN(c3cc(C(=O)N4CCCCC4)ccn3)C2)n1 1529158677 IPBITOUXTZTIJP-UHFFFAOYSA-N 339.443 2.582 0 50 EFAA CCCNc1ncc(CN2CCCN(C(=O)C3CCCC3)CC2)cn1 1775978256 PSGVQMXLKHCOCG-UHFFFAOYSA-N 345.491 2.523 0 50 EFAA CSCCNC(=O)c1coc(COc2cccc(F)c2F)n1 12093722 QMZKZOFTERMGDM-UHFFFAOYSA-N 328.340 2.625 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 169616537 MJMBIOUKZPOGBE-WYUUTHIRSA-N 328.151 2.586 0 50 EFAA Cc1cc(C)cc(NC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857741311 NFDRWWGUUQAZES-JRBPQWBISA-N 343.471 2.876 0 50 EFAA Cc1ccc(OCC(=O)N2CCC(c3ccnn3C)CC2)cc1C 124762322 QBERYUXKZBMAEB-UHFFFAOYSA-N 327.428 2.822 0 50 EFAA CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 125121249 KQFMAPTUCIUYLL-KOLCDFICSA-N 335.878 2.829 0 50 EFAA C[C@@H](CN(C)C(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)O 237371812 DLMWAAAENXWPJB-LBPRGKRZSA-N 339.819 2.567 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237636798 MPGFDKHQVURPKN-DLBZAZTESA-N 331.412 2.581 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(c2cc(NCC3CC3)ncn2)C1 340080656 SBNGURXBALKJIT-XJKSGUPXSA-N 346.381 2.889 0 50 EFAA COc1ccc(Cl)c(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 253396901 REECWUATWXOGKX-OIISXLGYSA-N 325.836 2.710 0 50 EFAA COC[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)C1CC1 152140863 YONUWTUUPUPKQD-OAHLLOKOSA-N 333.819 2.895 0 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O=C(c1nc2ncccn2n1)N(Cc1ccccc1)Cc1ccccc1 338932 XSTZOKBILPMXJD-UHFFFAOYSA-N 343.390 2.967 0 50 EFAA CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1C(N)=O 369138 GJAIXTCRPDWCKV-QWRGUYRKSA-N 338.429 2.547 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@H](OC(C)=O)c2ccccc2)c1 406479 DBHPINTZFPKWKO-QGZVFWFLSA-N 329.352 2.947 0 50 EFAA Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 529150 NBPBLEZBCHHIFI-UHFFFAOYSA-N 332.425 2.934 0 50 EFAA O=C(CSc1ncc(-c2ccccc2)nn1)NCc1ccco1 1117060 NBBOHXPXMBGODN-UHFFFAOYSA-N 326.381 2.540 0 50 EFAA COc1ncccc1C(=O)NC[C@@H](CC(=O)O)c1ccc(Cl)cc1 2027209 IQXOYQQCYITLNZ-GFCCVEGCSA-N 348.786 2.732 0 50 EFAA CCCCCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O 2810155 MYEYVMDBGOZEMS-UHFFFAOYSA-N 331.368 2.646 0 50 EFAA CCCC[C@@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 2810618 DEMNMSLJCQJOQV-INIZCTEOSA-N 328.412 2.854 0 50 EFAA O=C(NCCCCCCCNC(=O)c1ccncc1)c1ccncc1 3118609 SLIIDBAWPNQWMN-UHFFFAOYSA-N 340.427 2.587 0 50 EFAA COc1cccc(CNc2nnnn2C)c1OCc1ccc(C)cc1 4999770 TYGBYKGHWWEOHV-UHFFFAOYSA-N 339.399 2.718 0 50 EFAA COCCn1c(=O)[nH]c(=O)c2c(-c3ccc4ccccc4c3)ccnc21 10339036 YVORVWPLOVVAQO-UHFFFAOYSA-N 347.374 2.551 0 50 EFAA O=C(NCc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100662778 ZQKLRAAXEKBSFT-UHFFFAOYSA-N 334.375 2.583 0 50 EFAA CCCn1nc(C)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 23380093 KEVKYUSAWXTNBW-UHFFFAOYSA-N 339.443 2.977 0 50 EFAA CCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1 9096238 JUUCBPNJXCBYOQ-UHFFFAOYSA-N 332.385 2.989 0 50 EFAA COc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2=O)cc1F 112366611 MZULAMYPVCOSIC-OAHLLOKOSA-N 332.350 2.869 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)C1 113136416 ODQCULOJGXVZQM-RTBURBONSA-N 328.456 2.787 0 50 EFAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCC2(Cn3cccn3)CC2)c1 55196472 QSTUTZKEADQCGB-INIZCTEOSA-N 327.428 2.864 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CCCCC3 101045344 BMOYBFFPXBWSOG-USNOLKROSA-N 347.418 2.973 0 50 EFAA O=C(Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 116261728 KOJSFUVXFASZQY-UHFFFAOYSA-N 326.348 2.583 0 50 EFAA CC(C)[C@@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67847336 NHMUDOZZCLATCS-OAHLLOKOSA-N 335.354 2.752 0 50 EFAA CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(=O)O 27639649 GTUGBRJEKVKOKQ-KQTZTOONSA-N 326.433 2.695 0 50 EFAA in-vitro Cc1nc(CNC(=O)c2cc(=O)c3ccccc3o2)nc2c1CCCC2 67850344 DYNQQCJISCAAQN-UHFFFAOYSA-N 349.390 2.700 0 50 EFAA CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)c1 248241094 HBYNBBADVZEYMS-RDJZCZTQSA-N 343.471 2.887 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348235683 BEGRXPCJHHHTBO-YOEHRIQHSA-N 337.354 2.717 0 50 EFAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)Cc1cnc(N)nc1 67713022 LDKQUUILUUCNEG-UHFFFAOYSA-N 345.353 2.932 0 50 EFAA C[C@@H](NCCc1csc(-c2cccnc2)n1)C(=O)NC1CCCC1 65376393 GGEJINLYNMFLRT-CYBMUJFWSA-N 344.484 2.785 0 50 EFAA O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2 4014664 BVOXWAQFSMYEDZ-CQSZACIVSA-N 343.335 2.858 0 50 EFAA Cc1ncc(C(=O)N[C@H](CO)c2ccccc2)c(-c2ccccc2)n1 216372426 OTDGYENWUKWFIU-GOSISDBHSA-N 333.391 2.915 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1OC 4986932 UYJXDSQMFWUTLW-HNNXBMFYSA-N 347.411 2.543 0 50 EFAA C/C(=C\c1cc(Cl)ccc1O)CN1CCOC[C@H](CN(C)C)C1 72164987 ZHEXAWQNAMZTSC-UJMHRVFCSA-N 338.879 2.959 0 50 EFAA CC[C@@H]1Oc2cc([C@@H](C)NCc3ncnn3C(C)C)ccc2NC1=O 253430605 FLELBLJFYXUVBT-DOMZBBRYSA-N 343.431 2.819 0 50 EFAA C[C@H]1OCC[C@@]12CN(C(=O)N[C@H]1C[C@H](c3cccc(F)c3)C1)CCO2 253431126 ZMNOTJNUDMNOBB-LRCYWBKYSA-N 348.418 2.661 0 50 EFAA CC(C)(CO)[C@@H](CNC(=O)c1cccnc1S)c1ccccc1 152339231 UXSYNPHJEZWNLJ-HNNXBMFYSA-N 330.453 2.902 0 50 EFAA COc1cccc([C@@H]2C[C@H]2NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1 333217544 VGFKWIWJIRAFHH-HZMVEIRTSA-N 330.428 2.618 0 50 EFAA OC[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)CC[C@H]1c1ccccc1 375691071 VNQUHYXGZUNRSI-UXHICEINSA-N 348.450 2.865 0 50 EFAA Cc1ccc([C@H]2CN(Cc3nnc(-c4ccccc4)n3C)CCO2)o1 159032388 DZORVKJXHPVDBI-QGZVFWFLSA-N 338.411 2.957 0 50 EFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 237193597 HPTXVTHHTKMEJH-ZWNMCFTASA-N 343.290 2.982 0 50 EFAA COc1cc(CNCc2cccc3[nH]ccc23)ccc1OCCO 237208316 YDIVNMUTVMVHJR-UHFFFAOYSA-N 326.396 2.837 0 50 EFAA COc1ccc(-c2nc(C(=O)N(C)C3CCNCC3)cs2)cc1 237459907 XHIBBDZUMKESTA-UHFFFAOYSA-N 331.441 2.643 0 50 EFAA NC[C@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1 215070974 MKWVHMCDHBRIAW-LJQANCHMSA-N 331.504 2.865 0 50 EFAA FC(F)(F)c1cc(NCc2ccnc(N3CCOCC3)c2)ccn1 283687030 YGLIANVQTHUJDU-UHFFFAOYSA-N 338.333 2.944 0 50 EFAA COCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC(C)C)C2)o1 72468549 QTBOZGKJPDDATO-GOEBONIOSA-N 348.443 2.535 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN([C@@H](C)c2nc(C3CC3)no2)C1 368848298 VQEFHGOIUAYYAZ-FZMZJTMJSA-N 332.404 2.904 0 50 EFAA Oc1nncc(N2CCC(O)(Cc3ccccc3F)CC2)c1Cl 369657756 WHQNCPGCZHBWHH-UHFFFAOYSA-N 337.782 2.549 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 237942694 ZTCCCDLZAJPLTI-AWEZNQCLSA-N 345.374 2.871 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 238074666 XMCFCRMGDKMOSW-AGIUHOORSA-N 327.302 2.885 0 50 EFAA Nc1ccnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 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2.868 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@H]2COc3cc(OC)ccc3C2)o1 95528230 ICOMBBQGMUXKHV-LBPRGKRZSA-N 330.384 2.535 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(C)cc2OC)C1 91364699 QAROBRYBNHNMHF-IBGZPJMESA-N 349.427 2.737 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N3Cc4ccccc4C3)c(=O)[nH]2)cc1 91713395 JXMUHCJIHFHJJB-UHFFFAOYSA-N 331.375 2.901 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CNc1ccc(Cl)cc1)[C@@H]1C[C@@H]31 239248038 XXHSVGKJSSDPGW-OJFNHCPVSA-N 328.799 2.763 0 50 EFAA CN1CCN([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 97601021 PDQNVGSNGUSHDI-INIZCTEOSA-N 327.394 2.527 0 50 EFAA Cc1cc(NC(=O)[C@H]2CCc3cnn(C)c3C2)nc(-c2ccccc2)n1 333686221 BMZCSUZADBWZIU-HNNXBMFYSA-N 347.422 2.929 0 50 EFAA C[C@@H](CC(=O)N1CCCN(c2ccc(F)cc2)CC1)n1ccnc1 92077905 CONWLAHITWXJCY-HNNXBMFYSA-N 330.407 2.712 0 50 EFAA O=C(NCc1coc(-c2ccccc2)n1)c1cccc(-n2cnnc2)c1 91907391 ZNMKJVCMTMGLSV-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA CCc1cccc(OC2CN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1 91713233 VBKGRLIBLJVKIM-UHFFFAOYSA-N 348.406 2.938 0 50 EFAA CC[C@H]1CCCCN1CC(=O)N1CC(Oc2ccccc2OC)C1 92080594 NUAKDFYDBRRXHF-HNNXBMFYSA-N 332.444 2.549 0 50 EFAA COc1cncc([C@H](NC(=O)NC2CCCCC2)[C@H]2C[C@H](O)C2)c1 244866616 VZFCMMRUALNORL-SRCQZFHVSA-N 333.432 2.534 0 50 EFAA O=C(N[C@H]1CCCc2occc21)N[C@@H]1CCN(c2ccccn2)C1 245519686 SJMQZZJLLVTKPM-HIFRSBDPSA-N 326.400 2.630 0 50 EFAA C[C@@H](NCc1noc(C2CCOCC2)n1)c1ccc2c(c1)OCO2 182304669 WMCNOGXOJRVRKA-LLVKDONJSA-N 331.372 2.543 0 50 EFAA Cc1ccc(NC(=O)CN2CCC[C@@H](c3nccn3C)C2)cc1F 252501536 UHCNQKLUDKKKFF-CQSZACIVSA-N 330.407 2.686 0 50 EFAA Cc1ccc(Nc2nc(N)nc(-c3ccc(C(=O)N(C)C)cc3)n2)cc1 32540567 NYAJAPRSMJNIMJ-UHFFFAOYSA-N 348.410 2.875 0 50 EFAA CCn1nccc1S(=O)(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 372222174 MSZXZJUKOUKVOD-HNNXBMFYSA-N 333.457 2.717 0 50 EFAA Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@H]1c1ccco1 185145818 QJUVVEWSEUBXCA-ZDUSSCGKSA-N 335.381 2.812 0 50 EFAA COc1ccc([C@H](NC(=O)c2c(C)ncn2C)c2ccncc2)cc1 670472651 IREILQRAATUPPA-KRWDZBQOSA-N 336.395 2.652 0 50 EFAA C[C@H]1[C@H](C)CCCN1C(=O)Cc1csc(SCCN(C)C)n1 1362341420 VYMFGGHBTXFTMZ-OLZOCXBDSA-N 341.546 2.986 0 50 EFAA Cc1ccc(N2CCC(N3CCN(c4ncccn4)CC3)CC2)cc1 952982920 HQOQLXIZTHCXSA-UHFFFAOYSA-N 337.471 2.576 0 50 EFAA O=C1CC[C@@H]2CN(C/C=C/c3ccccc3)CC[C@@H]2N1CCCCO 1565515649 IEOXLQSDAODYNK-XXGTVTCJSA-N 342.483 2.785 0 50 EFAA O=C(O)[C@@]12CN(Cc3ccc(Cl)o3)C[C@@H]1CN(CC1CCC1)C2 1565511818 CCWQWUQPHOIVHH-GUYCJALGSA-N 338.835 2.552 0 50 EFAA C[C@H](C(=O)Nc1ccc2c(c1)OC(C)(C)O2)n1nnnc1C(C)(C)C 273422222 QXKXORFAYZPUHP-SNVBAGLBSA-N 345.403 2.678 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc(F)c(F)cc2Cl)o1 275297119 HHYYGVWBQLCIQU-LBPRGKRZSA-N 343.717 2.523 0 50 EFAA COCCc1nnc(SCSCc2ccc(Cl)cc2)n1N 170605613 RFLGIBPONQCPJJ-UHFFFAOYSA-N 344.893 2.817 0 50 EFAA CCc1ccccc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccsc1 276760097 AFTDCRLPOJLDCY-ZDUSSCGKSA-N 339.438 2.805 0 50 EFAA Cc1ncc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)c(C(C)C)n1 192876587 QRYBNMRALKVDQB-UHFFFAOYSA-N 327.384 2.879 0 50 EFAA CCc1nc([C@H]2CCCCN2C(=O)c2cccc(C(=O)O)c2)no1 649456270 WSSGKFPHXYOGSW-CYBMUJFWSA-N 329.356 2.698 0 50 EFAA O=C(NCCc1ccccc1OC(F)F)N1[C@H]2CC[C@H]1CC(O)C2 195577829 ABFYAZZRMXYANT-STQMWFEESA-N 340.370 2.528 0 50 EFAA COc1ccc(-c2ccc(CNC(=O)[C@](C)(OC)C(=O)O)s2)cc1 663038501 IUKRTCZQVHXXOY-KRWDZBQOSA-N 349.408 2.530 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)oc1C(=O)O 663423440 BWGDMMREWXGFFD-BXUZGUMPSA-N 335.381 2.668 0 50 EFAA O=C1C[C@@H](NC2CSCCSC2)CN1c1cccc(Cl)c1 1506402951 LEDYSDNOACHMHF-GFCCVEGCSA-N 342.917 2.884 0 50 EFAA CN(CCCS(=O)(=O)N(C)C)C[C@]1(c2ccccc2)CC1(C)C 1506417356 IWHXMFDZLWLWEB-SFHVURJKSA-N 338.517 2.568 0 50 EFAA CCCOc1ccc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1 1704327792 GQVBERKSCVKTKF-UHFFFAOYSA-N 344.459 2.711 0 50 EFAA Cc1nccc(N2CCCN(C(=O)c3cc4ccccc4cn3)CC2)n1 1772804633 CDJLZTMDIUTAFE-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA Cn1c(C2CCN(CC[C@@H]3COCCO3)CC2)nc2ccccc21 1775983240 JAPJVWAPTSTRLX-MRXNPFEDSA-N 329.444 2.558 0 50 EFAA COc1cc(OC)cc([C@@H]2NCCc3cc(OC)c(OC)cc32)c1 16309977 HTGRKZPYDVJOGG-IBGZPJMESA-N 329.396 2.956 0 50 EFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccccc1 169762640 BCIDLLRIDPFPAR-UHFFFAOYSA-N 331.375 2.704 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1ccc2c(c1)OCO2 1857674309 CQYXEUCEXXWXEJ-URKNILKWSA-N 345.395 2.592 0 50 EFAA COc1cnc(C)cc1C(=O)NCc1nccn1Cc1ccccc1 1857678066 ROQHGFDYUYRBEQ-UHFFFAOYSA-N 336.395 2.573 0 50 EFAA CN1CCN(c2ccc(-n3ccnc3-c3cnsc3)cc2)CC1 1857683262 TTZWDMJTQNITNM-UHFFFAOYSA-N 325.441 2.748 0 50 EFAA CCc1nccc(-c2nccn2Cc2ccccc2-n2cncn2)n1 1857727085 KHHJMDBIXYAIHT-UHFFFAOYSA-N 331.383 2.532 0 50 EFAA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N2CCC(N3CCCC3=O)CC2)C1 110597849 NIYZHWDHCOQNNB-BFYDXBDKSA-N 336.476 2.584 0 50 EFAA Cc1cc(C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328618564 DWHFDOZXNHYJCG-SNVBAGLBSA-N 342.321 2.533 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)N[C@H]1CCN(c2ccccn2)C1 124032198 RDXSOTRUZVHKKN-KRWDZBQOSA-N 349.438 2.684 0 50 EFAA COc1ccc(-c2noc(-c3cc4ccccc4c(=O)n3C)n2)cn1 349752521 VPFXWOKNQGRKOK-UHFFFAOYSA-N 334.335 2.659 0 50 EFAA COC[C@H](O)CNC(=O)NC(c1cccc(C)c1)c1cccc(C)c1 252480095 BUVVZUDSHUHBJH-GOSISDBHSA-N 342.439 2.699 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCC([C@H]2CCCO2)CC1 252584689 CEUYEDAGTFSOHA-IEBWSBKVSA-N 343.471 2.866 0 50 EFAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccn1Cc1cccs1 252676057 VWHVKAXXZVVGQM-CZUORRHYSA-N 329.469 2.810 0 50 EFAA CC(C)n1cc([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]2CO)cn1 375410288 GPCHTTMBOMACPB-IRXDYDNUSA-N 345.491 2.693 0 50 EFAA O=C(O)c1coc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 262361829 JDBKJBTXOKJJIQ-ZDUSSCGKSA-N 343.335 2.726 0 50 EFAA COCC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 496955144 HGXCZGQIZRSLQH-GJZGRUSLSA-N 340.464 2.661 0 50 EFAA Cc1nc2n(n1)C[C@@H](C(=O)N1CCCc3c(Cl)ccc(F)c31)CC2 903245214 KKLHZHMZVQHUET-NSHDSACASA-N 348.809 2.921 0 50 EFAA CCn1c(NC(=O)[C@H]2CCCC(=O)N2C)nc2cc(Cl)ccc21 907208665 WMMLOJZPPYRAHC-CYBMUJFWSA-N 334.807 2.659 0 50 EFAA O=S(=O)(c1ccco1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 907523032 DHBUGWIGNUAUNJ-QGZVFWFLSA-N 331.393 2.909 0 50 EFAA Brc1cnc([C@@H]2CCCCN2Cc2cnsn2)nc1 932518596 MGCGBQQDOATHCM-NSHDSACASA-N 340.250 2.818 0 50 EFAA CCc1nc(OC)ccc1NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 933939802 LKFBOPRMHBMEDB-LBPRGKRZSA-N 349.822 2.981 0 50 EFAA CCNc1ccc(NC(=O)c2ccccc2CN2CCOCC2)cn1 952995551 PTDAOFZYLCZLCR-UHFFFAOYSA-N 340.427 2.598 0 50 EFAA COc1cc2nc(Cc3cccc4c3OCO4)nc(O)c2cc1OC 1875339926 CSKZNIQMOBMXJX-UHFFFAOYSA-N 340.335 2.672 0 50 EFAA CCn1cc(CN2CCO[C@H](c3cnn(C)c3)C2)c(C(C)(C)C)n1 1875304433 KFVUUNSJPKULJQ-INIZCTEOSA-N 331.464 2.508 0 50 EFAA O=S(=O)(N[C@H]1CC[C@H]2CC[C@H]1OC2)c1cnc(-c2ccccc2)o1 1875396384 FDCLVOYRXCSDNW-AEGPPILISA-N 348.424 2.578 0 50 EFAA COCCCN1[C@@H](c2ccc(Br)cc2)CCS1(=O)=O 1775993530 FAUODBSGPSYILR-CYBMUJFWSA-N 348.262 2.562 0 50 EFAA CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2c1CCCC2 963118077 BPNNNIAUKNMPAD-MOPGFXCFSA-N 326.440 2.791 0 50 EFAA CC1(C)C[C@H](C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CN1 2325849266 JUFMZLFHXMQZMU-OTWHNJEPSA-N 338.451 2.966 0 50 EFAA CN(C)CCCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 920835633 HJOTVEHFWOPVIA-UHFFFAOYSA-N 342.408 2.529 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)NC(=O)N1 124311 NAOJNYMMDVGEOY-MRXNPFEDSA-N 348.399 2.675 0 50 EFAA CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1 366590 CSPTYDPXMKZRFS-UHFFFAOYSA-N 326.371 2.725 0 50 EFAA CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 483792 MDBDGNTXYRVBOI-CMPLNLGQSA-N 336.457 2.870 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CCCOC2)CC1 2356143019 QZARHPRZOLBYNB-INIZCTEOSA-N 345.439 2.512 0 50 EFAA CCCOc1ccccc1CCCNC(=O)[C@@H](N)C(C)(C)SC 2356148193 LLRAOCVCEFFDNE-MRXNPFEDSA-N 338.517 2.993 0 50 EFAA Cc1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)c(F)c1 2356153365 CYDOYFOOQZMVJP-UHFFFAOYSA-N 326.375 2.805 0 50 EFAA CSc1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1 4993486 PSRUJEISQCVFPJ-UHFFFAOYSA-N 328.393 2.773 0 50 EFAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(N2CCCCC2)c1 225467593 TVQQRKVVKPFKEW-SJORKVTESA-N 344.459 2.843 0 50 EFAA CNc1cc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)ccn1 20406526 FPUOJSMJPQMSIN-OAHLLOKOSA-N 345.830 2.860 0 50 EFAA O=C(c1cc2ccccc2[nH]1)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 102766725 GCRZYSRCIRVAIZ-SIIHOXLZSA-N 337.423 2.641 0 50 EFAA CCc1c(C)[nH]c2c(-c3ccc(OC)cc3)c(COC)nn2c1=O 9261091 LUEVTKBEOFAWPK-UHFFFAOYSA-N 327.384 2.715 0 50 EFAA COc1cccc(Nc2nc(N)nc(CSc3ccccn3)n2)c1 9483767 BBTNGMKFTBNVQI-UHFFFAOYSA-N 340.412 2.893 0 50 EFAA CC(C)NC(=O)CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246650570 KCXLFKHAGBYADA-GJZGRUSLSA-N 344.377 2.728 0 50 EFAA CN1CCN(C(=O)c2cccnc2-c2nc3ccccc3s2)CC1 20533548 JKAIYZBKGYBXKQ-UHFFFAOYSA-N 338.436 2.746 0 50 EFAA Cc1c(NC(=O)CCSc2ccc3c(c2)OCCO3)cnn1C 177240885 DLWMDBPMTKGJQO-UHFFFAOYSA-N 333.413 2.621 0 50 EFAA COC1(C[C@H](C)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CCC1 344961024 BCWJQVGQLHNARM-XYJFISCASA-N 334.508 2.740 0 50 EFAA CCN1CCCC[C@H]1CN1C(=O)[C@@H](C)N(Cc2ccccc2)C1=O 348416255 KZOCQXUMVAHRLQ-WBVHZDCISA-N 329.444 2.714 0 50 EFAA COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(OC)c1 10312382 YABDZSWZBWOCNK-UHFFFAOYSA-N 339.380 2.932 0 50 EFAA Cc1ccc(C)c(N([C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 10363634 JSKCMOFBMWAYEG-CQSZACIVSA-N 338.473 2.517 0 50 EFAA CN(C(=O)CN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21)C1CC1 249422569 HSSQXIIXRFWGFA-BMFZPTHFSA-N 336.476 2.582 0 50 EFAA CC1(C)CNC(=O)c2nc(C3(COc4ccccc4)CC3)[nH]c2C1 65393442 BUQHYQWZXDDGFT-UHFFFAOYSA-N 325.412 2.832 0 50 EFAA C[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 229174866 JNGYKQRPAGYDBZ-SGMGOOAPSA-N 338.448 2.732 0 50 EFAA CC1=CCC[C@@H](C)[C@@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 328623400 JBLOAQCQGRXADX-XNWPKKHHSA-N 344.503 2.830 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc2cccnc2c1O 67834030 VSRPOLXTVVLMBG-MRXNPFEDSA-N 337.379 2.795 0 50 EFAA CCN1CCN(Cc2cc(-c3ccccc3)on2)C[C@H]1c1ncc[nH]1 328586754 ALUQZZMTJBBPGJ-KRWDZBQOSA-N 337.427 2.944 0 50 EFAA O=C(c1ccc(Cl)cc1)N(Cc1cccnc1)C[C@H]1CCNC1 328655218 YEHIRHPZLHNRDJ-HNNXBMFYSA-N 329.831 2.987 0 50 EFAA CC(C)c1nnc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328622056 AYAYORNPDLIGDU-RDJZCZTQSA-N 329.448 2.713 0 50 EFAA Cc1nc(NC(=O)N2CCOC3(CCC3)C2)ccc1Br 128666303 FGZXDTPNERCHBD-UHFFFAOYSA-N 340.221 2.939 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 72418317 QHBRAJKNJRNLFB-HXUWFJFHSA-N 330.472 2.558 0 50 EFAA CC[C@H](c1nc(C)c(C)s1)n1ccnc1-c1cc2n(n1)CCNC2 72473486 CCYXPPZTTAQRKU-OAHLLOKOSA-N 342.472 2.923 0 50 EFAA Cc1ncoc1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 329992026 AJBFNEIIPDUELV-VIFPVBQESA-N 328.294 2.745 0 50 EFAA CCc1ncsc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 282511185 NXCMHMFWSIWOIC-SWLSCSKDSA-N 332.425 2.662 0 50 EFAA CCCn1ccc2ccc(NC(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc21 282859842 XEJGTDPLGVUBKY-OAHLLOKOSA-N 349.456 2.702 0 50 EFAA Cc1cc(N2CCC(CCN3CCCC3=O)CC2)n2nc(C)cc2n1 72474504 DGQURITWUPENFS-UHFFFAOYSA-N 341.459 2.575 0 50 EFAA O=C(O)C1(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 366752261 SJXWIEUVCLJXEF-NSHDSACASA-N 327.302 2.886 0 50 EFAA COc1ccc2c(c1)OCC(C(=O)N(C)c1ccc(OC)nc1)=C2 127847516 YXZNVQGTDSEPDD-UHFFFAOYSA-N 326.352 2.538 0 50 EFAA CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCCN1 237124338 GYFZXSYUCASJIB-KRWDZBQOSA-N 326.444 2.610 0 50 EFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc[nH]c1=O 72411570 CAVODDJZWSLWKP-UHFFFAOYSA-N 331.422 2.832 0 50 EFAA COc1nn(C)cc1NC1CCN([C@H](C)Cc2ccccc2)CC1 449277305 FHLPAMVEPYJFKQ-OAHLLOKOSA-N 328.460 2.936 0 50 EFAA NC1CCC(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 237794017 LNSVRFDMBXKAMP-UHFFFAOYSA-N 333.819 2.653 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NCc1ccc(-n2cncn2)cc1 241277580 LHGANODTVBVHOX-JKIFEVAISA-N 327.432 2.891 0 50 EFAA Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c2ccc(F)cc2n1 82121934 NHFZYWMYVXZGQX-UHFFFAOYSA-N 339.374 2.820 0 50 EFAA CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)s1 17071005 RBGJUEMAKRIFQD-ZJUUUORDSA-N 338.429 2.800 0 50 EFAA O=C(NCCNC(=O)N1CCC2(CCCC2)C1)c1ccc(F)cc1 176579199 GFOXUEPLBUNQJL-UHFFFAOYSA-N 333.407 2.531 0 50 EFAA CN(C)c1nccnc1N1CCC[C@@H](c2nccn2CC2CC2)C1 82109596 CBEISZNNGRDDFZ-OAHLLOKOSA-N 326.448 2.533 0 50 EFAA Cc1cc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)ccc1Cl 220449572 YPSQGGUVYUPWSO-PXCJXSSVSA-N 333.819 2.624 0 50 EFAA CCOC1CC(C(=O)Nc2n[nH]c3c2c(-c2ccccc2)nn3C)C1 288141966 UZPHBXSWBMLWRQ-UHFFFAOYSA-N 339.399 2.717 0 50 EFAA O=C(NCCn1ccnc1)N1CCC[C@@H](COc2ccc(F)cc2)C1 426621534 BTBNBHHJTMHWEH-OAHLLOKOSA-N 346.406 2.523 0 50 EFAA O=C(Cn1ccnc1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 19338180 AIEQEPQUNKLMHV-QGZVFWFLSA-N 326.787 2.837 0 50 EFAA CN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 20614798 BSPXASJWDXUAEH-UHFFFAOYSA-N 329.791 2.736 0 50 EFAA Cc1cc(C)c(C(=O)NCCCN2CCCc3ccccc32)c(=O)[nH]1 91445218 NLOVUOVYIHXOEI-UHFFFAOYSA-N 339.439 2.564 0 50 EFAA CC(=O)c1cc(CC(=O)N(C)Cc2ccc3nonc3c2)cs1 97785113 SDBGRDYDCJXZSO-UHFFFAOYSA-N 329.381 2.688 0 50 EFAA CN(C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1 426383997 VRXLDIAVORUCFA-GOSISDBHSA-N 345.487 2.719 0 50 EFAA CNC1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 179141481 OYFYGEZXOKWGSV-VOTSOKGWSA-N 328.334 2.809 0 50 EFAA CCn1nc(C)c(CC(=O)N2Cc3ccccc3OC[C@H]2C)c1C 292968905 ZRBJZIDTQUFBKN-CYBMUJFWSA-N 327.428 2.872 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ncsc2C(C)C)C1 293001043 SVCKBGYKAUFBKJ-WDEREUQCSA-N 336.417 2.560 0 50 EFAA CN(Cc1ccc2nonc2c1)C(=O)Cn1ccnc1-c1ccccc1 91562931 IDZRTVRUIMLOKC-UHFFFAOYSA-N 347.378 2.745 0 50 EFAA C[C@H](c1noc(-c2c[nH]nc2-c2ccccc2)n1)N1CCOCC1 95370267 IFIKXPVQWRYMTL-GFCCVEGCSA-N 325.372 2.520 0 50 EFAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CC12CCCCC2 181313569 ISXCQVSFUBQPQD-AWEZNQCLSA-N 340.420 2.650 0 50 EFAA O=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2s1 244900189 ZXTYGLZLGGITDF-AWEZNQCLSA-N 348.468 2.931 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H](CCC(=O)O)C1 299746663 YYEBMOLKBODAKB-INIZCTEOSA-N 349.475 2.802 0 50 EFAA O=C(O)c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c23)c1 185162822 QCBPPVIRCSQWJN-UHFFFAOYSA-N 334.328 2.806 0 50 EFAA O=C(NCC[C@@H]1CCCOC1)c1cnc(Nc2ccccc2)nc1 534642180 QVGCZCJCLLBHKK-AWEZNQCLSA-N 326.400 2.767 0 50 EFAA COc1ccccc1-c1nn2c(C3CCN(C)CC3)nnc2s1 824834794 IXDNQFQAIPVAHH-UHFFFAOYSA-N 329.429 2.671 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)on1 584894404 BCMUTYQBLDINNZ-HNNXBMFYSA-N 349.394 2.830 0 50 EFAA C[C@@H]1CCCN(CCNC(=O)Cc2nc(C(F)(F)F)cs2)C1 1361918427 MNSWHLZFDXEWDZ-SNVBAGLBSA-N 335.395 2.553 0 50 EFAA CC(=O)c1cc(CC(=O)NCC(=O)Nc2cc(F)ccc2C)cs1 952873523 LAVBJJWRYVENFX-UHFFFAOYSA-N 348.399 2.696 0 50 EFAA Cc1csc(CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)n1 268672810 MGYDVZZCWQZLAT-AWEZNQCLSA-N 343.374 2.961 0 50 EFAA CNC[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 269101936 DPOBMZKRERTQQU-VIIAAUOXSA-N 337.261 2.920 0 50 EFAA C[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(=O)C2)COCc1ccccc1 408524611 WJBNHFBWEMQSGN-XIRDDKMYSA-N 330.428 2.745 0 50 EFAA Cn1cnnc1CCCNC(=O)CSc1ccc(C(C)(C)C)cc1 408517677 MGEUQVBUXHAEGD-UHFFFAOYSA-N 346.500 2.954 0 50 EFAA CC(C)N1CCN(CCCN2CCOC[C@@]2(C)c2ccccc2)CC1 408518858 FYBMSUAFRKMFAZ-NRFANRHFSA-N 345.531 2.650 0 50 EFAA O=C(c1cnccn1)N1CCC(NCc2ccc(Cl)cc2F)CC1 170086901 XNFKXRAXQUVQRM-UHFFFAOYSA-N 348.809 2.664 0 50 EFAA Cc1noc(C)c1CCOc1ccc(O[C@H]2CCCCNC2=O)cc1 170599479 ZFPBNWVBJABTJW-SFHVURJKSA-N 344.411 2.960 0 50 EFAA Cc1n[nH]cc1CN1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 275616932 JBAXXMYAYPAJQM-OAHLLOKOSA-N 331.489 2.661 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccon2)CC1 276000690 PNZXBWFJMNQLIR-OAHLLOKOSA-N 329.404 2.588 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCc3c(cccc3OC)C2)c1 634691684 MIKHHZFMYSCLPE-GOSISDBHSA-N 327.380 2.888 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCc2ccoc2)C1 190701410 YQIYSKPSKKBZIY-OAHLLOKOSA-N 348.472 2.708 0 50 EFAA O=C(NC[C@H](O)C1CC1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 195569552 YANVIZJYDBEXKD-JQWIXIFHSA-N 338.276 2.638 0 50 EFAA COc1cccc(C2(F)CCN(C(=O)c3[nH]c(O)nc3C)CC2)c1 655051941 CNJRNEKJSXTGLJ-UHFFFAOYSA-N 333.363 2.533 0 50 EFAA CCOc1ccc(CN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)cc1F 668649674 IZBSWDJLXJLFPH-BDJLRTHQSA-N 335.379 2.878 0 50 EFAA C[C@@H](CN(C)Cc1cc(F)cc(C(F)(F)F)c1)N1CCOCC1 1529197948 ZRVMUDTYAUYMOB-LBPRGKRZSA-N 334.357 2.997 0 50 EFAA O=S(=O)(NCCc1ccccc1)c1ccccc1Br 6314719 AESWHHJFQKKGMN-UHFFFAOYSA-N 340.242 2.970 0 50 EFAA in-vitro C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Br)cc1 6746183 NFBBVBKPDWVFQQ-VIFPVBQESA-N 337.173 2.799 0 50 EFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cccs3)C2)c1 5030554 MJPNZFHRDJIRJO-INIZCTEOSA-N 346.408 2.575 0 50 EFAA COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 5510673 GTCWZRDSJBFIDT-UHFFFAOYSA-N 347.230 2.709 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)nc(C)n1 12581235 RVBWEMUJROXZMD-QGZVFWFLSA-N 330.476 2.868 0 50 EFAA CN1CCC[C@@H](CN(C)C(=O)c2coc(COc3ccccc3)n2)C1 14953187 PGFPCLZHLAGHRA-OAHLLOKOSA-N 343.427 2.667 0 50 EFAA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc3ccc(Cl)cc3n2)C1 1857530318 DMWVRFHYWDIVPV-SFHVURJKSA-N 347.846 2.698 0 50 EFAA COC(=O)[C@]12CCCC[C@@H]1CN(C(=O)Nc1cn(C)nc1C(C)C)C2 1857533344 GSWSPXGWGADAQE-ACJLOTCBSA-N 348.447 2.741 0 50 EFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cccc(O)c1 1857695285 COHZTSGMBVGVMB-FBBABVLZSA-N 336.435 2.843 0 50 EFAA CNCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 225471689 SHFTUDUMIMANOW-SDBXPKJASA-N 329.263 2.568 0 50 EFAA CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1nnc2ccccn12)C(C)C 230147823 VSBVKYFBEGGRNR-LZWOXQAQSA-N 345.447 2.683 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 237414299 QLOCCCUICTWGMR-RYUDHWBXSA-N 330.350 2.670 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@H]2CCN(c3ccccc3)[C@@H]2C)n1 252506082 VXXNWJUTFLKMAE-DOMZBBRYSA-N 328.416 2.823 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H]1Cn1cncn1 370988990 AHDYYGWHQNWESY-MRXNPFEDSA-N 349.394 2.770 0 50 EFAA COc1ccccc1C[C@@H](NC(=O)N1CC[C@](C)(C(=O)O)C1)C(C)C 263184046 FPENEUCHVJERJR-BEFAXECRSA-N 348.443 2.769 0 50 EFAA CCOC(=O)CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35287650 ORNBWJOTADGZDA-UHFFFAOYSA-N 345.239 2.974 0 50 EFAA in-vitro CC1CC(n2nnc3c2CN(Cc2nc(C(C)C)ns2)CC3)C1 931473732 HGIVWBHICTVSCI-UHFFFAOYSA-N 332.477 2.782 0 50 EFAA C[C@@]1(O)CCCN(C(=O)Nc2ccc(-c3ccccc3F)nn2)C1 934956313 FZYDLWPUPGNPCK-QGZVFWFLSA-N 330.363 2.661 0 50 EFAA O=C(c1cccc2c1OCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 935164867 KBVBUJDXPCRXIY-CQSZACIVSA-N 338.411 2.637 0 50 EFAA C=CC(=O)N1CCC(C(=O)O)(c2ccc(Br)cc2)CC1 1857777655 RZMPWLADHATGCG-UHFFFAOYSA-N 338.201 2.580 0 50 EFAA CCOc1ccc(Cl)c(C(=O)N[C@@H]2CNc3ccccc3C2)n1 1875267181 LSDFYUCIMQOAGC-LBPRGKRZSA-N 331.803 2.900 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)NC(C)C)cc(Cl)nc1Cl 1875374694 XUPKCBOIZYWGCU-LLVKDONJSA-N 344.242 2.826 0 50 EFAA Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 1875324765 MCZIPOQRIPJIRA-CYBMUJFWSA-N 337.379 2.758 0 50 EFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC=CC2)CC1 1875313179 IZCAIPKRGKSNRW-KRWDZBQOSA-N 342.439 2.913 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cn3cccc(C)c3n2)cc1 1875373520 DGWKUHZYFTXJGN-UHFFFAOYSA-N 348.406 2.722 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3cccc(F)c3F)nn(C)c21 1875403787 CKJFISAJWNVJBC-MNOVXSKESA-N 349.381 2.993 0 50 EFAA C[C@H]1CN(C(=O)c2c[nH]c3nccc-3c2)C[C@@H](C)N1CC(F)(F)F 891289307 ZXBHNVVKFZUUBA-PHIMTYICSA-N 340.349 2.612 0 50 EFAA COCc1nc(O)cc(N(C)Cc2ccc(Br)s2)n1 891535580 VSHZFWRHXZSFNG-UHFFFAOYSA-N 344.234 2.789 0 50 EFAA Cc1ncc(C)c(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)n1 1775994425 LSFUJCDFJLIGPD-MRXNPFEDSA-N 338.411 2.713 0 50 EFAA Cc1cnc(/C=C/C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)[nH]1 1775999466 RPSKOOLKSHCKGX-UZYOAWRESA-N 328.391 2.608 0 50 EFAA C[C@H](NC(=O)CNC(=O)C[C@@H](C)c1ccc(F)cc1)c1ccccn1 1775998408 CULIFJAUFTUHKC-KGLIPLIRSA-N 343.402 2.708 0 50 EFAA O=C(N[C@H](Cc1ccccn1)c1ccccc1)N[C@H]1C[C@@H](C(=O)O)C1 874398342 HKEXLSWEICASLL-HYVNUMGLSA-N 339.395 2.528 0 50 EFAA CC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 79929 GQNGIQUHBDDNMN-UHFFFAOYSA-N 329.381 2.647 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)CC[C@@H]3CCC(=O)NC3)cc2)c1C 2325773450 BYMBPNBDZKDSQR-HNNXBMFYSA-N 340.427 2.734 0 50 EFAA CC(C)[C@H]1COCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 2325784072 ZFOWLOQBWMAAKR-MRXNPFEDSA-N 330.428 2.558 0 50 EFAA C[C@H]1CN(CC(=O)NCc2cccs2)CCc2ccc(O)cc21 2325784373 YDQBFUSPUNAQSB-ZDUSSCGKSA-N 330.453 2.732 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC2(CC2)C1 2325868578 BOPHPMVMENFLFZ-BPQIPLTHSA-N 326.440 2.616 0 50 EFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccnc3)N2C1=S 187559 KLPHMPVHSQYCSI-WBVHZDCISA-N 348.431 2.636 0 50 EFAA CN(C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1 196402 HSKHUWQBIRBHPO-CQSZACIVSA-N 343.290 2.975 0 50 EFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2O)c2ccccc21 565194 RXFWJZKSYLVLEY-LJQANCHMSA-N 325.364 2.609 0 50 EFAA Cc1cccc(N(C(=O)c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 1193218 CBHZGAXADGUGCL-QGZVFWFLSA-N 327.405 2.953 0 50 EFAA COC1(CN(C)C)CCN(C(=O)CCCc2ccc(F)cc2)CC1 2356153281 AEBLZLAGGZDMGQ-UHFFFAOYSA-N 336.451 2.718 0 50 EFAA Cc1cc(C)n(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1 4184990 XRYKVSNGPMTOOK-UHFFFAOYSA-N 349.195 2.742 0 50 EFAA CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12 4350892 NTPXQERXVNATPJ-UHFFFAOYSA-N 326.425 2.875 0 50 EFAA CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(Cl)cc1 4809360 OWJBPAVRMUQURE-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 7987250 RROHRIHMSGBZJD-ZETCQYMHSA-N 333.413 2.829 0 50 EFAA 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PIGDSMAQNPJZTM-TZMCWYRMSA-N 345.468 2.840 0 50 EFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(=O)O)c(C)n1 262127970 CROPUKKICASCDP-LBPRGKRZSA-N 342.395 2.800 0 50 EFAA COc1ccccc1CC(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1 262781822 BDVPMAKQZFUAQT-IRXDYDNUSA-N 339.391 2.565 0 50 EFAA O=C(Cc1ccsc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 215414770 KUPIIFKNYZMDDJ-LJQANCHMSA-N 340.492 2.992 0 50 EFAA CCCc1nc(NCc2ncc(C)c(OC)c2C)c2cnn(C)c2n1 72148622 TUYHXZDHPZPBOW-UHFFFAOYSA-N 340.431 2.948 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2)C1 379254181 DKZOWRQAMGTLOC-PWSUYJOCSA-N 336.741 2.599 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ncoc3CC)CC2)OC1=O 77287246 XOJZRAQOQPTEDV-CYBMUJFWSA-N 349.431 2.853 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)N2CCC(F)(c3ccccn3)CC2)on1 240551584 GUUBOUMSGYFZJZ-CYBMUJFWSA-N 332.379 2.666 0 50 EFAA CCN(CC(=O)N1CCCCCC1)C(=O)c1ccnc(SC)c1 241316822 LVDSCRDPPPMGED-UHFFFAOYSA-N 335.473 2.668 0 50 EFAA CO[C@H](CN(C)C1CCN(c2cnccn2)CC1)c1ccccc1 242191377 XFAIOHOSZOHJIL-GOSISDBHSA-N 326.444 2.765 0 50 EFAA C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccnc1 174826614 GBZFCWMFLYGHII-OAHLLOKOSA-N 327.428 2.901 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)N1CCCC1=O 175022605 GVVMSVFUDMSNEX-HNNXBMFYSA-N 344.390 2.659 0 50 EFAA O=C(NCCN1CCc2ccccc2C1)[C@H](O)c1ccc(Cl)cc1 220168184 DOEPNKFCIMPCFW-GOSISDBHSA-N 344.842 2.548 0 50 EFAA CCn1cc(CNC(=S)Nc2sc(C)cc2C(=O)OC)cn1 17071038 UWSAWRZJESOWKP-UHFFFAOYSA-N 338.458 2.546 0 50 EFAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)NCCc1cnc[nH]1 426531573 JJYLZMBTHYDNLG-LJQANCHMSA-N 326.444 2.962 0 50 EFAA CCOc1cccc(N2CCN(C(=O)c3oc(C)cc3C)CC2)n1 176537117 KGMGAAHVRJENQY-UHFFFAOYSA-N 329.400 2.653 0 50 EFAA Cc1nc2ccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc2nc1C 81707080 RNSDFADEHWTKQE-RBUKOAKNSA-N 333.391 2.635 0 50 EFAA COc1ccc(F)c(CN[C@H]2CCOC3(CCOCC3)C2)c1F 82155721 PYZBGRLUVMBNRD-LBPRGKRZSA-N 327.371 2.791 0 50 EFAA O=C(O)c1ccnc(-c2cccc(C(=O)NCC[C@@H]3CCOC3)c2)c1 426552419 YPWYZBLKTGHEGW-CYBMUJFWSA-N 340.379 2.603 0 50 EFAA Cc1nc2sccn2c1C(=O)N[C@H](Cn1ccnc1)C(C)(C)C 97370480 VXIRAXUOLRGVIE-GFCCVEGCSA-N 331.445 2.745 0 50 EFAA O=C(N1CCCC1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91943790 OMMDDFKOXJUHMW-INIZCTEOSA-N 339.443 2.722 0 50 EFAA COCCN(CCOC)C(=O)Nc1ccc(-c2cscn2)cc1 96148865 CZXCVRPGHOJSSY-UHFFFAOYSA-N 335.429 2.937 0 50 EFAA CSCc1nc(CNC(=O)C2CCN(C(C)C)CC2)cs1 95375230 HRQRRNUKEAKKTP-UHFFFAOYSA-N 327.519 2.743 0 50 EFAA CCC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1C(=O)O 91519430 ZLTVRNFBJJMJDD-HUUCEWRRSA-N 327.384 2.650 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 178971459 KQIAISUHGZZVIE-GHMZBOCLSA-N 331.243 2.829 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CC=C[C@@H]2C(C)C)n1 426473341 CDODPEOPWSPFLX-LLVKDONJSA-N 328.338 2.910 0 50 EFAA O=C(NCCN1CCOCC1)Nc1cccc(-c2ccc(F)cc2)c1 95521228 KVOXOBLVQCBIRJ-UHFFFAOYSA-N 343.402 2.946 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCCC(=O)N(C)C 91519335 KZFBUORWRHVWAH-UHFFFAOYSA-N 329.444 2.620 0 50 EFAA COCC[C@]1(CO)CCCN(CC2=Cc3cccc(OC)c3OC2)C1 91663685 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Cc1nc([C@@H]2CCCN(c3ccccn3)C2)n(CC(F)(F)F)n1 584888779 IOUJWWXSMIUBTL-GFCCVEGCSA-N 325.338 2.928 0 50 EFAA CC[C@@H](c1nc(C(C)C)nn1CCO)N1Cc2ccccc2C1=O 828776935 MRHUGJDXFXSRDH-HNNXBMFYSA-N 328.416 2.501 0 50 EFAA COc1ccccc1Cc1nc(C2CCOCC2)n(CC(C)(C)O)n1 670462550 XVGOXPZZTHQMMY-UHFFFAOYSA-N 345.443 2.542 0 50 EFAA C[C@H]1CC2(CCOCC2)CN1C(=O)NCC(C)(C)C1=CCOCC1 1355904670 SXTZKUCRZLXIRJ-HNNXBMFYSA-N 336.476 2.960 0 50 EFAA c1cnc(N2CCCC2)c(O[C@H]2CCN(CCc3cncs3)C2)c1 408521537 XYLQOSGBQHCJST-HNNXBMFYSA-N 344.484 2.834 0 50 EFAA CC(C)c1noc(CCNC(=O)N[C@@H]2CCc3cc(F)ccc32)n1 109358184 NGSVDHPIZGPIIN-CQSZACIVSA-N 332.379 2.861 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 269937499 QXBLCUZVVPOWMN-GJZGRUSLSA-N 344.377 2.680 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CCOc3ccc(F)cc32)C1 271527030 REVCRQFNLSGGQW-GUTXKFCHSA-N 327.421 2.595 0 50 EFAA C[C@@](O)(CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccco1 170047435 VLUMOAQYEUCKMP-WMLDXEAASA-N 336.432 2.668 0 50 EFAA O=C(NCc1ccc(N2CCCCC2)nc1)c1cccc2nccnc12 170077106 MZGOGVBIHAHYDA-UHFFFAOYSA-N 347.422 2.945 0 50 EFAA CN1C(=O)N([C@H]2CCOC3(CCC3)C2)C(=O)[C@H]1Cc1ccccc1 278209066 VYTBWBCLODCMCL-JKSUJKDBSA-N 328.412 2.593 0 50 EFAA C[C@H](NC(=O)c1cnc(-c2ccco2)s1)C(=O)N1CCCCC1 170893413 QBZGHTKKMNYGJO-NSHDSACASA-N 333.413 2.534 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCOc3cc(F)ccc3C2)c1 634692771 JEBYZRLRKYLAPP-KRWDZBQOSA-N 331.343 2.855 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)c3ccn(CC(F)F)n3)cn12 194558322 FWKGVHBJZWFOHE-UHFFFAOYSA-N 334.330 2.567 0 50 EFAA O=C(c1ccc2nccnc2c1)N(Cc1ccccn1)C[C@@H]1CCCO1 1506395693 LGHCEWJMHLIDCD-KRWDZBQOSA-N 348.406 2.846 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc4cccnc34)C[C@@H]2CC1=O 1529119757 LGURLRAXAINJEA-OWCLPIDISA-N 337.423 2.564 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)CCCOc2cc(C)ccc2C)CC[C@@H]1O 1704314646 VRMYSINXNNEIHM-ZIFCJYIRSA-N 349.471 2.707 0 50 EFAA C[C@@H](C[S@@](C)=O)Nc1ccnc2cc(Br)cnc12 119181407 WZRSFRKKEVTMOO-ASCAZGACSA-N 328.235 2.571 0 50 EFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccccc1 12430569 QPDVQEYKIMJYGZ-IBGZPJMESA-N 348.446 2.617 0 50 EFAA CCOc1cc(S(=O)(=O)Nc2ccccn2)c(OCC)cc1C 12560566 CHWLWSKUOZIVIT-UHFFFAOYSA-N 336.413 2.988 0 50 EFAA Cc1cccc(CNC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)c1 169765916 RMABOLSDAGAKMI-LJQANCHMSA-N 349.434 2.937 0 50 EFAA Cc1nc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)n(C)c1C 1857683544 IXLBOHWFLJDDEW-UHFFFAOYSA-N 339.447 2.532 0 50 EFAA CCOc1ncc(C(=O)N2c3ccccc3C[C@@H]2CN)cc1Cl 422627377 ODECBXAMUKMSJO-CYBMUJFWSA-N 331.803 2.664 0 50 EFAA CCn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C2(C)C)nc1C 332689041 LFYNEKVQXHDSLZ-JTQLQIEISA-N 339.383 2.563 0 50 EFAA O=C1CC[C@@H](CC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CN1 455313764 PZEKIBYQNBWURH-JTQLQIEISA-N 341.238 2.794 0 50 EFAA COC[C@H](Cc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C 660787282 QONMYKKECMHLRR-WBVHZDCISA-N 332.444 2.597 0 50 EFAA CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(N3CCCC3=O)cn2)CCO1 253425808 FSPICKNHRRFSNH-ZBFHGGJFSA-N 345.443 2.988 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](n4cc(C)cn4)C3)cc12 358345594 SCIVJMOJORBBOT-GFCCVEGCSA-N 342.374 2.908 0 50 EFAA CC1(C)CN(C(=O)NCc2ccc(Cl)s2)C[C@]2(CCOC2)O1 369631016 NTSWECPLDYIFAS-HNNXBMFYSA-N 344.864 2.881 0 50 EFAA COc1ccc([C@H](NC(=O)C2CCC(F)(F)CC2)C(=O)O)cc1 262988683 SFHFNTVUBMCPQQ-ZDUSSCGKSA-N 327.327 2.763 0 50 EFAA Cc1cnc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cn1 497041664 WJJSHYCDLNZYDY-MGPQQGTHSA-N 348.447 2.643 0 50 EFAA Cc1[nH]nc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1C 265266758 VFZPYBBFQMXBBI-UHFFFAOYSA-N 331.391 2.644 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CCc2nccn2C1 830547233 DYKIZJOQZPKXOQ-MRXNPFEDSA-N 349.434 2.966 0 50 EFAA COc1cc(N)c(C(=O)OCC2CCOCC2)c(Br)c1 952884935 TVLGDJJLCBJPKB-UHFFFAOYSA-N 344.205 2.623 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)C1CCC(F)(F)CC1 952961735 SRFARQFYKAFOCG-YUTCNCBUSA-N 343.418 2.653 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)N1CCOC[C@H]1C1CC1 1875254073 JNTDLZJDGIOGHK-SQNIBIBYSA-N 330.428 2.807 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2Cc2ccnn2C2CCCC2)nc1 1875282574 JZSDQXVILQXKMG-MRXNPFEDSA-N 341.415 2.824 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(CO)n2C)C1 1875276525 WXSGRHVBXZAYKO-JSGCOSHPSA-N 334.851 2.901 0 50 EFAA CC(C)c1nccc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)n1 886048109 SSEJYTWUMIPJHP-KRWDZBQOSA-N 341.459 2.714 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)C=C(C2CC2)C2CC2)C1 886048351 YUQNEVHCSOIVOP-FUHWJXTLSA-N 342.439 2.823 0 50 EFAA CNC1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 237092771 GBVFXWPSWYSHHU-UHFFFAOYSA-N 331.641 2.927 0 50 EFAA CC1(C)CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(Cl)c(N)c1 1775993971 YIOBBUHEQDNHIX-JTQLQIEISA-N 330.837 2.553 0 50 EFAA C[C@@H]1COCCCN1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 1776002136 UUBDOVCRMMBPOF-GFCCVEGCSA-N 329.404 2.640 0 50 EFAA CC(C)(C)c1nocc1CN1CCC[C@H](n2ccc(C(=O)O)n2)C1 1776287101 YLATUTZBEKKIOS-ZDUSSCGKSA-N 332.404 2.704 0 50 EFAA O=C(N[C@@H]1CSC[C@H]1OC(=O)c1ccccc1)c1ccccc1 356622 PGAMNPSQOQDEBO-HZPDHXFCSA-N 327.405 2.757 0 50 EFAA biogenic O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccnc1 534431 WQSCNQPHEUGDBK-OAHLLOKOSA-N 337.162 2.801 0 50 EFAA COc1cc(-c2nnc(S)n2-c2cccnc2)cc(OC)c1OC 6659391 GNUMNUMASXUDKD-UHFFFAOYSA-N 344.396 2.644 0 50 EFAA Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)CC12CC(C)(CO1)C2 2325819021 NFOHLHRSYAPDLK-VIQWUECVSA-N 349.496 2.901 0 50 EFAA O=c1c(F)cn(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(F)cc1 186956 BEVGENADFOBLDN-UHFFFAOYSA-N 346.308 2.524 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H]1c1cnn(C)c1 245448423 MWDBFIXOKCFPFF-FZMZJTMJSA-N 333.823 2.633 0 50 EFAA COC(=O)c1ccccc1N(C)C(=O)c1cc2ccccc2oc1=O 2883324 ZJMBNVMHGILEPY-UHFFFAOYSA-N 337.331 2.856 0 50 EFAA CCOC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 6743182 HCNLKHNLBTYFHK-RBUKOAKNSA-N 345.395 2.924 0 50 EFAA O=C(O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1 8732488 VHGRUQDIDUZEAI-CYBMUJFWSA-N 329.327 2.842 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc2oc(C)nc12 280373856 SRMWWHZHXPIPIW-BBRMVZONSA-N 340.383 2.613 0 50 EFAA O=S(=O)(Nc1nncn1-c1ccccc1)c1ccccc1Cl 225532023 MTAUTGGYPZDQOO-UHFFFAOYSA-N 334.788 2.722 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 54991689 ROTAWGONYQHKIO-KRWDZBQOSA-N 334.485 2.658 0 50 EFAA COC(=O)c1c(CC(=O)N2C[C@H](C)CCC[C@@H]2C)[nH]c(C(C)=O)c1C 134013356 KLJLRSJIYGFIAN-NEPJUHHUSA-N 348.443 2.892 0 50 EFAA c1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 20201877 PBTVRTHJQSXHNP-UHFFFAOYSA-N 344.484 2.750 0 50 EFAA COc1ccc(-c2cccc(-c3ccn(CCCN(C)C)n3)c2)nn1 20777322 RZWNLXMUNUKQOG-UHFFFAOYSA-N 337.427 2.967 0 50 EFAA CCCC[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H]1C(N)=O 253397367 WTLMDSPZLGGBMP-PBHICJAKSA-N 331.460 2.901 0 50 EFAA O=C(N[C@@H](C1=CCCN(Cc2ccccn2)C1)C(F)(F)F)C1CC1 65370827 YRVDNIQGIUQXON-HNNXBMFYSA-N 339.361 2.671 0 50 EFAA CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-c2nnc(S)o2)cc1 124182640 MYNDZWAPOCVVPW-CQSZACIVSA-N 347.440 2.912 0 50 EFAA CCCO[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CNC3)C1 72132940 KPMNJNWZLGAXTM-OAHLLOKOSA-N 339.443 2.537 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CCC1 355447408 SRICZBPSKIORCJ-UHOSZYNNSA-N 343.467 2.805 0 50 EFAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccnc2ccncc12 328592379 LEKUDZDXDXRZPY-CQSZACIVSA-N 349.390 2.834 0 50 EFAA CC(C)(C(=O)Cn1c(=O)sc2ccccc2c1=O)c1ccccc1 355927709 BUQXKZXJJCJZMR-UHFFFAOYSA-N 339.416 2.970 0 50 EFAA C[C@H](C(=O)N1Cc2ccccc2OC[C@H]1C)N(C)CC(F)(F)F 281634498 QIJSIQNFERFYIG-VXGBXAGGSA-N 330.350 2.679 0 50 EFAA CCc1ccc(O[C@@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 6489935 YZLPVYOOVWGIKX-NHYWBVRUSA-N 344.333 2.875 0 50 EFAA O[C@@H]1c2ccccc2C[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 253428861 NHBSXBXMSVEJDM-FUHWJXTLSA-N 340.814 2.669 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2O1 77553428 NFUOEDVAOYFLAO-GOSISDBHSA-N 335.363 2.699 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)/C=C/C2CCCCC2)CC1 154807885 LHYVMYUAKFUDCM-LKGOPFMKSA-N 331.460 2.829 0 50 EFAA O=C1O[C@H](CN2CCC(O)(c3ccccc3Cl)CC2)CC12CC2 365454058 ASRJTUPWOBSZFC-ZDUSSCGKSA-N 335.831 2.719 0 50 EFAA Cc1ccc(F)c(OCC(=O)N2CC[C@@H](Oc3ccccn3)C2)c1 366238158 NMUMYCSAUTXWRN-CQSZACIVSA-N 330.359 2.588 0 50 EFAA COCC[C@H]1COCCN1Cc1cc(Cl)c(OC)c(OC)c1 368269737 NFCRVTGJZROTJD-ZDUSSCGKSA-N 329.824 2.595 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 239653716 BKWSJRLMSQENMN-JKIFEVAISA-N 349.450 2.637 0 50 EFAA C[C@H]1CC[C@@](C)(C(=O)NC[C@H]2CCn3ncc(C(=N)O)c3C2)C1(C)C 333953087 DBAICYPKFMANCT-JMERFSKESA-N 346.475 2.907 0 50 EFAA Cc1cc(CS(=O)(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)no1 373646231 HAIPFZQAONQORC-MRXNPFEDSA-N 338.404 2.616 0 50 EFAA COCCc1ccc(Oc2ccc(NC(=O)[C@@H](N)COC)cc2)cc1 262344533 TUTGOPFFMHQVAX-SFHVURJKSA-N 344.411 2.580 0 50 EFAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 242273619 YEMFPVJCUUZINO-SCUASFONSA-N 332.473 2.654 0 50 EFAA CN(CCC(C)(C)O)C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 71749769 WTIKLCVMLDNQSD-UHFFFAOYSA-N 349.378 2.887 0 50 EFAA Cc1nc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)no1 72172825 YPTOPWMQAXUGIH-KBRIMQKVSA-N 346.381 2.723 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 377520329 SOPRLBWIGAKNLA-CYBMUJFWSA-N 336.399 2.516 0 50 EFAA O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)c1cncc(F)c1 132455011 DCRTTZOSHBRQNS-UHFFFAOYSA-N 326.287 2.592 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 238005019 IKGQCMKLZIIZDX-SNVBAGLBSA-N 330.306 2.817 0 50 EFAA CC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1nccs1 131639854 RKDHIVAVCQNHAF-AWEZNQCLSA-N 337.489 2.746 0 50 EFAA Cc1nc2c(C(=O)N3C[C@H](O)C[C@@H]3c3cccc(F)c3)cccc2[nH]1 282892323 WFLWXNGSVGXMTI-RHSMWYFYSA-N 339.370 2.959 0 50 EFAA Cc1cccc2c(CC(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)O)c[nH]c12 262946236 KZGYOLCEMNNHRR-PNPHSEOMSA-N 326.396 2.731 0 50 EFAA CN(C)C[C@H]1COCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 72149945 VHUDVPQOHNFJIM-OAHLLOKOSA-N 348.878 2.536 0 50 EFAA CCn1cnnc1CCNc1cc(-c2ccccc2)nc2cc(C)nn12 72433474 ZETJQZIYDCVVIT-UHFFFAOYSA-N 347.426 2.971 0 50 EFAA CCC(CC)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 173294925 QNUDBYOKYQGLFT-IBGZPJMESA-N 347.503 2.920 0 50 EFAA COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-n1cnnn1 40283350 AJUDXVNEMCPDLT-UHFFFAOYSA-N 329.747 2.577 0 50 EFAA CC(C)n1cccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 222951670 XIMDKCXVGNIIJM-SJLPKXTDSA-N 343.427 2.568 0 50 EFAA CC1CCC(=CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 286134765 MUUNOKAYNAPRLR-XCWJXAQQSA-N 346.475 2.806 0 50 EFAA c1ccc(CN2CCc3n[nH]c(-c4ccc5c(c4)OCO5)c3C2)nc1 42442413 VPJUYPDCGOIJQF-UHFFFAOYSA-N 334.379 2.759 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1cnc(-n3cnnc3)cc1C)C2 91713317 YLGRLEYGNSJZRH-CQSZACIVSA-N 336.395 2.773 0 50 EFAA COCC1(CNC(=O)[C@H]2COc3c(cccc3OC)C2)CCCC1 95356791 FITNUCDVYVKLJL-OAHLLOKOSA-N 333.428 2.569 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 91462177 SDUJTSUQBIKOFK-LBPRGKRZSA-N 333.354 2.578 0 50 EFAA Cc1cccc2[nH]c([C@H]3CCCN(c4nc(N)nc5[nH]cnc45)C3)nc12 96149407 YJKCRHMXZBMJBM-NSHDSACASA-N 348.414 2.504 0 50 EFAA COc1ccccc1-n1cc(CN(C)[C@@H](C)Cc2cnccn2)cn1 97815321 XUXMLVCICPENEC-HNNXBMFYSA-N 337.427 2.734 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCCC(=O)O)C1 91974340 FYJHYZPGHCXODG-IBGZPJMESA-N 347.411 2.841 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)on1 95371815 VJVMYLAFSMFSOR-HNNXBMFYSA-N 328.368 2.630 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 180703889 PERNCYGOTUUFFR-FHWLQOOXSA-N 346.471 2.652 0 50 EFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1coc2ccccc12 244852750 UXXNYKPAOTWMOZ-QIIPPGSGSA-N 336.391 2.940 0 50 EFAA Cc1ccc2nc(C(=O)N[C@H](c3ccccc3)[C@H]3C[C@@H](O)C3)cn2c1 244811719 SJWXAQVUQAGZCF-JTDSTZFVSA-N 335.407 2.885 0 50 EFAA CCc1ccnc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1 182626010 GGZKNUXUJUCNHG-UHFFFAOYSA-N 340.427 2.500 0 50 EFAA O=C(O)c1coc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 183797166 NEGFFLKKIWLSPO-LBPRGKRZSA-N 348.330 2.960 0 50 EFAA O=C(c1ccco1)N1CCCN(CCCOc2ccccc2)CC1 363185211 RVWMTHSYLXSDPN-UHFFFAOYSA-N 328.412 2.897 0 50 EFAA OC1(c2ccc3c(c2)CNCCO3)CCN(c2ccccc2F)CC1 299799395 RIWNUKRJSUIJGM-UHFFFAOYSA-N 342.414 2.796 0 50 EFAA O=C(CCc1ccncc1)NCc1ccc(C(=O)N2CCCC2)cc1 299788376 QXEAJZXVJVAYPD-UHFFFAOYSA-N 337.423 2.567 0 50 EFAA CC(C)(O)Cn1nc(COc2cccc(F)c2)nc1[C@@]1(C)CCCO1 826620399 LDSBURHQNRIVAE-GOSISDBHSA-N 349.406 2.793 0 50 EFAA COc1cc(C(=O)N[C@@H](C)c2nncn2C(C)C)nc2ccccc12 824615062 OINYIRQXAZKAAU-LBPRGKRZSA-N 339.399 2.907 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc1C 185004363 JMRVKJDKTIFWDY-CJNGLKHVSA-N 347.365 2.628 0 50 EFAA COC[C@H]1CN(c2nc(C(F)F)nc3ccc(F)cc23)CCO1 408518690 UWLPNFNBTOOFTI-SNVBAGLBSA-N 327.306 2.558 0 50 EFAA O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc(OCc2cccnc2)c1 269099659 HNSRPTTULIHNPS-IEBWSBKVSA-N 340.423 2.942 0 50 EFAA COc1cccc2c1CCCCN2C(=O)c1ccc2nnn(C)c2c1 185144982 UVAJNKTXAFSAMI-UHFFFAOYSA-N 336.395 2.960 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCO1 271449692 HOXSYGANMGZQMI-HFTRVMKXSA-N 334.435 2.721 0 50 EFAA CN(C(=O)c1cccc(-n2cccn2)n1)[C@@H]1CCCc2cccnc21 170604780 HPCQWWPMLSFZDB-MRXNPFEDSA-N 333.395 2.812 0 50 EFAA Cc1ccc(C)n1-c1nc(CC(=O)NC2CCC(C)(O)CC2)cs1 170021057 VCKJOTZLRLACDO-UHFFFAOYSA-N 347.484 2.903 0 50 EFAA COc1cc(C)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F 186757150 WKWPSFXRHYVRQA-LBPRGKRZSA-N 332.379 2.898 0 50 EFAA CCCOc1ccccc1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 186855880 PDLQBWMSYKFDPJ-CYBMUJFWSA-N 337.441 2.629 0 50 EFAA O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(N2CCOCC2)ccn1 189001249 FWEWXXHDMBWTAD-UHFFFAOYSA-N 349.394 2.561 0 50 EFAA CC[C@@H]1CN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CCO1 193011370 MADGHXOASIYYCK-MRXNPFEDSA-N 331.416 2.846 0 50 EFAA Cc1nn(C)c(C)c1CCCNC(=O)c1ccncc1C(F)(F)F 193127431 QHHVTRIWDDKVQX-UHFFFAOYSA-N 340.349 2.813 0 50 EFAA O=C(c1ccc(F)cc1Cl)N1CCCN(C[C@H]2CCOC2)CC1 989598961 CWLMGPGIEYKHIB-CYBMUJFWSA-N 340.826 2.664 0 50 EFAA Cc1cccc([C@@H](NC2CCN(Cc3ccco3)CC2)C(=O)O)c1 1506398197 XCEZFQLNNQFKQE-GOSISDBHSA-N 328.412 2.968 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCn2cccn2)c1C 1506412900 PKQWYLBTZLRFKZ-UHFFFAOYSA-N 335.473 2.776 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775982092 HJKIKNLMQSAINP-HXUWFJFHSA-N 336.439 2.804 0 50 EFAA CCCN(CCC)C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 11098994 SXCBIXQDWRUJEO-HNNXBMFYSA-N 345.443 2.647 0 50 EFAA Cc1ccoc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 11788285 ZFGXHKAEEDZAGW-CQSZACIVSA-N 335.363 2.779 0 50 EFAA CCN[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 12056765 BTOXUWPKGIPDPO-CQSZACIVSA-N 339.464 2.973 0 50 EFAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(C2CCCCC2)CC1 12380415 PGSDMBNJOAQBGD-INIZCTEOSA-N 346.471 2.939 0 50 EFAA O=C(NCC(F)(F)F)c1cc(COc2ccc(F)c(F)c2)on1 12574159 AWHOYDSOTDDYNA-UHFFFAOYSA-N 336.216 2.824 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 1857669793 OXVHNTRXVMDUPK-OXJNMPFZSA-N 345.439 2.931 0 50 EFAA Clc1cnc(N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)nc1 1857723450 GJRUPKUEJQUAJR-HRCADAONSA-N 330.819 2.756 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)c1ccc2sc(=N)[nH]c2c1 1857738902 DAHCIVGZJJLYOA-UHFFFAOYSA-N 342.424 2.659 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)CCO1 225503292 VXICUNLTWBQDFW-CRAIPNDOSA-N 345.447 2.637 0 50 EFAA CCCn1ncnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 225727146 ISMPDXZFMULWMF-LLVKDONJSA-N 342.369 2.810 0 50 EFAA CC(C)c1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)ccn2)cc1 634790220 XCYFVXCLUXERGK-UHFFFAOYSA-N 334.397 2.728 0 50 EFAA Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@H]3CC(=O)O)c2n1 646035724 RYOBGJVVELPLJZ-AWEZNQCLSA-N 348.424 2.561 0 50 EFAA Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]2C(=O)O)c1 237641133 XWKBWVUBEZLGNZ-INIZCTEOSA-N 344.367 2.560 0 50 EFAA Cn1ccnc(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1=O 240244244 DLFPTCUZLGTCFM-LLVKDONJSA-N 340.210 2.745 0 50 EFAA C[C@@H](O)C[C@@H]1CCCCCN1C(=O)COc1ccc(F)cc1F 241846597 SMDDNHTYCHBWFO-OCCSQVGLSA-N 327.371 2.886 0 50 EFAA CCc1nn(C)c(CC)c1[C@H]1NC2(CCCC2)C(=O)N1CC1CC1 159220274 KJMXMYZIKZZTIA-KRWDZBQOSA-N 330.476 2.698 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2C)C[C@@H]1O 1704304767 NPHKEFZSEASORK-YOEHRIQHSA-N 339.819 2.726 0 50 EFAA COCc1cncc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)c1 906232854 OOZJYFWNOYZSBR-JTQLQIEISA-N 334.322 2.934 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(Cc1ncn(-c3ccccc3)n1)C2 932614865 PLMZUHLICFTVKP-UHFFFAOYSA-N 336.443 2.777 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)c1cc(O)nc2c1CCCC2 935235830 LLQQYONUNQHHFY-UHFFFAOYSA-N 348.406 2.782 0 50 EFAA Cc1cncc([C@H]2CCCN2C(=O)c2ccc(OCC(=O)O)cc2)c1 868465566 AWTRXROXVDTDKZ-QGZVFWFLSA-N 340.379 2.831 0 50 EFAA O=C(NS(=O)(=O)Cc1noc2ccccc12)[C@H]1CCC=CCCC1 1875284316 QMENQYGAGHZXMD-ZDUSSCGKSA-N 348.424 2.910 0 50 EFAA CN(C)C/C=C/C(=O)N[C@H](CCN1CCCCC1)c1ccccc1 1875378483 DURPSVIECFREIJ-VSRDTVRMSA-N 329.488 2.838 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1875304778 UYGDMDKOYCLGOB-NVZZZQCFSA-N 325.408 2.866 0 50 EFAA Cn1ncc(CNc2cccc(N3C(=O)CCCC3=O)c2)c1C1CC1 894147710 CHUHLQXOUKSEME-UHFFFAOYSA-N 338.411 2.953 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2ccc3c(c2)OCO3)C1=O 2100545607 YOSDSBOZBFWDEU-IBGZPJMESA-N 330.428 2.782 0 50 EFAA O=C(NCCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1 1895726 TUGJKQQEOFJOMY-UHFFFAOYSA-N 341.436 2.967 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)c1ccn2c1CNCC2 2325775958 PTWKFZRWOYHKNZ-UHFFFAOYSA-N 349.434 2.726 0 50 EFAA CN(C(=O)CN1CCNC[C@@H]1c1cccc(Cl)c1)C1CCCC1 2325850184 OKIPSHJGMCUXFP-QGZVFWFLSA-N 335.879 2.687 0 50 EFAA Cc1c(CN)c(=NC(=O)c2ccc(-c3ccc(F)cc3)s2)[nH]n1C 2325855954 WNHKCWWPWSYMRB-UHFFFAOYSA-N 344.415 2.729 0 50 EFAA CCOc1ncccc1CN[C@@H]1CCN(Cc2ccccn2)C[C@H]1C 246847675 CLFIDMRHBRIWGB-VQIMIIECSA-N 340.471 2.876 0 50 EFAA COC(=O)Cc1c(C)c2ccc(O[C@H]3CCCCC3=O)cc2oc1=O 488854 JCVYJCPYWIJUIX-INIZCTEOSA-N 344.363 2.707 0 50 EFAA biogenic CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2O)c2ccccc21 1064193 UIIHNNCGCDUWMK-NRFANRHFSA-N 347.370 2.982 0 50 EFAA COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC)c1OC 2003353 CSHJCFPMERZZTN-UHFFFAOYSA-N 331.324 2.663 0 50 EFAA Cc1ccc(OCCNC(=O)C(=O)Nc2ccccc2Cl)cc1 2995723 UQIRJCIMTVZVOE-UHFFFAOYSA-N 332.787 2.782 0 50 EFAA O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCC1 3538202 WVLCBHTVEGAITQ-UHFFFAOYSA-N 341.194 2.648 0 50 EFAA CCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 4858276 QUTYMHILIFYWQB-ZDUSSCGKSA-N 340.379 2.679 0 50 EFAA CCOC(=O)Cn1nc(C)c(NC(=O)c2ccccc2Cl)c1C 4867619 QXVKENFHRFVNRK-UHFFFAOYSA-N 335.791 2.969 0 50 EFAA CC(=O)c1ccc(OC(C)C)c(Cc2c(O)nc(S)nc2O)c1 6493459 DCIDOXBJPJVTFZ-UHFFFAOYSA-N 334.397 2.757 0 50 EFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1ccc2c(c1)OCO2 55074745 ZVRUEQUIQNCCPD-MRXNPFEDSA-N 342.395 2.931 0 50 EFAA Cc1cc(NC(=O)[C@H]2COc3ccccc3C2)n(-c2ccccn2)n1 171308784 QVXIMMSIWAEZCK-OAHLLOKOSA-N 334.379 2.766 0 50 EFAA O=C1[C@@H]2[C@@H](C(=O)N1CNc1cccc(C(F)(F)F)c1)[C@H]1C=C[C@H]2C1 100159525 XDHUTSQZCOZBEW-NUZBWSBOSA-N 336.313 2.882 0 50 EFAA Cc1cc(C)nc(S[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)n1 101029294 SULFRUIKMSSLQJ-CYBMUJFWSA-N 331.372 2.657 0 50 EFAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1 55271235 WBAJNXGTDNIBPW-MRXNPFEDSA-N 327.424 2.982 0 50 EFAA COCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 345596746 JPONTTNFQILUFS-NHYWBVRUSA-N 337.322 2.652 0 50 EFAA CCOC(=O)CC1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 134871947 XMRRFZGEVTUWAJ-UHFFFAOYSA-N 343.345 2.838 0 50 EFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccco1 67641888 SFZOGCWQOYGGCS-IBGZPJMESA-N 334.460 2.693 0 50 EFAA CC(C)(C)SCCN1CCN(CC(=O)N2CCCCCC2)CC1 253393017 NIQVXLLCSPUHEC-UHFFFAOYSA-N 341.565 2.538 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2csc(-c3ccccc3)n2)[C@H]2CCO[C@H]21 1074567840 UPAYYMDEAJCDSS-BFJAYTPKSA-N 344.436 2.590 0 50 EFAA COc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cn1 27931633 UNZCFEWHPPQYSS-UHFFFAOYSA-N 339.439 2.527 0 50 EFAA COC[C@H](NC1CCN(c2cccc(C)c2C)CC1)c1ccnn1C 67605895 YNQKFTRSTXCZEJ-SFHVURJKSA-N 342.487 2.983 0 50 EFAA CCn1cc(NC(=O)c2cccc(C)c2)c(C(=O)NCC(C)C)n1 2800010 WBCNGLOAMGQVKA-UHFFFAOYSA-N 328.416 2.850 0 50 EFAA CC(C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)o1)Cc1ccccc1 252536335 IELXDJOTGONVJX-OAHLLOKOSA-N 343.427 2.693 0 50 EFAA O=C(c1ccc(F)cc1Cl)N1CCCO[C@@H](CN2CCCC2)C1 217665238 NNBLBDKIWKJPBU-AWEZNQCLSA-N 340.826 2.806 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H](O)C2CCCC2)cc1 229708500 VWUHTZHUIRNKNX-CSMYWGQOSA-N 330.428 2.562 0 50 EFAA COCc1ncc(CN2CCC(Oc3ccc(OC)cc3)CC2)cn1 72144547 JKFGUEZPAITTCV-UHFFFAOYSA-N 343.427 2.675 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 77319222 FVOMIALBOOOGMQ-CQSZACIVSA-N 337.383 2.569 0 50 EFAA CO[C@H](C)c1nsc(N2CCN(Cc3ccccc3)C[C@H]2C)n1 253396768 MRIACDVDVYLJEK-ZIAGYGMSSA-N 332.473 2.956 0 50 EFAA CO[C@H]1CCN(Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)C1 216325471 BBDCRXFUZSAHST-IBGZPJMESA-N 346.471 2.545 0 50 EFAA COc1cc2c(cc1CN(C)[C@H](C)c1ccncn1)OCCCO2 215372874 OQGCGYVDNICUJB-CYBMUJFWSA-N 329.400 2.840 0 50 EFAA CCN1CCC[C@H]1CNc1nc(C2CCCC2)nc2c1cnn2C 72173893 ZFZRWSVVOXKEAO-AWEZNQCLSA-N 328.464 2.917 0 50 EFAA C[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 253404078 DEKMJYFXEKZCGB-CXAGYDPISA-N 328.387 2.737 0 50 EFAA COc1ccc([C@H](OC)[C@@H](C)Nc2ncnc3nc(N)ccc23)cc1 357275528 SCGGGNIYXUTTMK-BDJLRTHQSA-N 339.399 2.804 0 50 EFAA Cc1csc(SCC(=O)N2CCC[C@@H](c3noc(C)n3)C2)n1 216146375 FRDMOCANSLEJEN-LLVKDONJSA-N 338.458 2.641 0 50 EFAA CC(C)c1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)no1 71759890 POAFCEXUKLFKLY-INIZCTEOSA-N 347.459 2.907 0 50 EFAA NC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 155819850 HXHCAFHERXUEHO-CYBMUJFWSA-N 334.844 2.665 0 50 EFAA CC(=O)N1CSC[C@@H]1C(=O)NC1CCC(C)(c2ccccc2)CC1 489185845 HMTQZEKRYPHZNN-TVRKMHQQSA-N 346.496 2.925 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)[C@H]1CCCNC1 156739807 UISGGMAJFYNEAP-KRWDZBQOSA-N 349.434 2.828 0 50 EFAA Cc1nc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)oc1C 261891129 QPZLVCTWKGNRAK-AWEZNQCLSA-N 332.473 2.892 0 50 EFAA CC(C)c1ccc(-n2cc(CN3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)cn2)cc1 217361262 WWDSIRWEWAAZTK-PIIMJCKOSA-N 325.412 2.758 0 50 EFAA CCc1ccc2occ(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)c2c1 377323375 MJCRDNLGCCSDCD-GDZNZVCISA-N 326.396 2.721 0 50 EFAA FC(F)(F)Cc1noc(CN2CCC[C@@H](c3ccncc3)C2)n1 333660650 GUCCZCINFZPOEN-GFCCVEGCSA-N 326.322 2.949 0 50 EFAA CC[C@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cccn1 219193661 MUSVAVPLYZWZOX-GOSISDBHSA-N 338.411 2.909 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 237778709 DRKKZADSKAKLOR-LMRWQKIVSA-N 327.302 2.956 0 50 EFAA CN(Cc1ccc(-n2ccnc2)cc1)Cc1nc(-c2ccncc2)no1 77522952 BYTYRRCMSJKCSB-UHFFFAOYSA-N 346.394 2.949 0 50 EFAA Cc1coc(C)c1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 284646920 XMGUXCMFCHSEMA-UHFFFAOYSA-N 333.432 2.697 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)cc1Cl 286422094 SBMXNALPAZEQFE-IAOVAPTHSA-N 337.847 2.959 0 50 EFAA Cc1ccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)o1 82099696 JXIPMGNQCXVPAK-UHFFFAOYSA-N 343.475 2.956 0 50 EFAA O=C(NC1CCN(CCc2ccccc2)CC1)C1(O)CCCCC1 175960754 HRKYQJQHCPPWJU-UHFFFAOYSA-N 330.472 2.505 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 178290200 LITZUGIPYYAKAI-XQQFMLRXSA-N 338.201 2.628 0 50 EFAA CN(C)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c(F)c1 263380398 BMMSOXDGUAJILI-XZJROXQQSA-N 334.391 2.750 0 50 EFAA Cc1cccnc1N1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 223598586 HHSYXTVMBJBQQO-IBGZPJMESA-N 335.451 2.844 0 50 EFAA CC[C@@H](Cn1ccnc1)NC(=O)N1CCOc2ccc(Cl)cc2C1 426409167 BMGLDEUVTMPZOZ-HNNXBMFYSA-N 348.834 2.919 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 237993663 QENCFGOOMFLCJA-LLVKDONJSA-N 333.413 2.998 0 50 EFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C3CCCCC3)C[C@H]21 95371771 UWXGEXSGTGTOMA-VQIMIIECSA-N 331.412 2.891 0 50 EFAA CC(C)(C)O[C@@H](C(=O)NCCN1CCOC(C)(C)C1)c1ccccc1 179211647 QOZWWIKTRNBKJH-QGZVFWFLSA-N 348.487 2.770 0 50 EFAA CN(C)CC(C)(C)CNC(=O)c1ccc(-c2cc(N)ccn2)cc1 426521196 HYASAHLRNWTYRI-UHFFFAOYSA-N 326.444 2.648 0 50 EFAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[C@H]1CCOC1 97638073 RNQLTEAKLHLQTE-AWEZNQCLSA-N 333.432 2.635 0 50 EFAA COCCC[C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 91494332 HEKRHKNUWHBFRR-FQEVSTJZSA-N 331.456 2.817 0 50 EFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c(C)n1C 91829182 HBHNONRBXXYADG-HXUWFJFHSA-N 343.471 2.507 0 50 EFAA COc1cccc([C@H]2CN(c3nc(C)nc4sccc34)C[C@@H]2N)c1 95362201 RZZLMXGZTHPZFC-CVEARBPZSA-N 340.452 2.939 0 50 EFAA Cc1cnn(CCCN2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c1 91594945 QXNSVFKHXPGCAK-DLBZAZTESA-N 331.391 2.521 0 50 EFAA O=C(c1cnn2c1CCC2)N1CCC[C@@H]1c1cccc2c1OCCO2 294571889 LQNRWOZOVHDWDR-OAHLLOKOSA-N 339.395 2.578 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1COc2cc(OC)ccc2C1 91908157 IPJBSTFWMRZGGC-INIZCTEOSA-N 343.427 2.511 0 50 EFAA CCCCOc1cc(F)ccc1-c1cnc2c(C(N)=O)cnn2c1 96152539 VYZLBVGGJQETPZ-UHFFFAOYSA-N 328.347 2.813 0 50 EFAA COc1ccc2[nH]c(CCN(C)Cc3nccn3C3CC3)nc2c1 243893181 AOZAHVPARVFXCM-UHFFFAOYSA-N 325.416 2.777 0 50 EFAA CC(C)n1nc(C(=O)NCC[C@H]2CCCCO2)c2ccccc2c1=O 181593262 ZTBZKFJMLZHSOJ-CQSZACIVSA-N 343.427 2.666 0 50 EFAA CO[C@@H]1O[C@@H]2CC[C@H]3[C@H]2[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@H]7CC[C@@H]8O[C@@H]([C@H]([C@H]5[C@H]87)[C@H]34)[C@]621 247886157 RRUNHOPDGXUDJX-ZAUNBXDOSA-N 326.436 2.545 0 50 EFAA O=C([C@H]1CCCc2[nH]ncc21)N1CCO[C@@H](CCc2ccccc2)C1 183335299 ROUVQINBHPWWDL-IRXDYDNUSA-N 339.439 2.690 0 50 EFAA CC[C@@H](CNC(=O)N(C)Cc1ccc2nonc2c1)N1CCCCC1 534671548 AZXAKFPPBNKNKC-HNNXBMFYSA-N 345.447 2.629 0 50 EFAA O=C(CC1(n2cccc2)CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 263585321 HHZJYAZCPZYPAO-PXNSSMCTSA-N 346.471 2.538 0 50 EFAA biogenic Cc1cccc(N2CCC(NC(=O)CN3C[C@@H]4CC[C@H]3C4)CC2)c1 299773376 GFFXMEPQGQWFFF-APWZRJJASA-N 327.472 2.564 0 50 EFAA Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 275695452 IZCAGGJZAWPMLU-PBHICJAKSA-N 340.423 2.657 0 50 EFAA Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)c3cnn(C)c3)cc2F)c1 408513009 AQFNPAHBOACCAW-LBPRGKRZSA-N 342.378 2.936 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(c2ccccc2OC)CC1 277295249 VBAFNSNFXPSQNY-WMZOPIPTSA-N 346.471 2.985 0 50 EFAA CN(Cc1nnc(C(=O)Nc2ccccc2)s1)[C@@H]1CCSC1 170593418 MAAJKFCYUUJNNB-GFCCVEGCSA-N 334.470 2.728 0 50 EFAA C[C@@H](NC(=O)NCc1ccccc1CN1CCCC1)C1CCOCC1 170666800 YHUHDWWKQOMXAA-MRXNPFEDSA-N 345.487 2.897 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 170879730 ISOPUBLSLLMSGJ-INIZCTEOSA-N 333.819 2.823 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@H](c2ccccc2)CO1 185960161 JWYFJXMNFKPICY-ACJLOTCBSA-N 338.407 2.855 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)nn1C 187244562 GPSUYQFNFSGXRO-KBXCAEBGSA-N 328.460 2.965 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2noc(C3CCCCC3)n2)C1 643856929 MQGAPRGHWGGHPS-KGLIPLIRSA-N 331.420 2.802 0 50 EFAA CC(C)c1nnc(CN2CCCN(c3cccc(F)c3F)CC2)n1C 660664635 IETGKNXCXGSFKP-UHFFFAOYSA-N 349.429 2.929 0 50 EFAA CNC[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(Cl)c1N(C)C 666835026 GXERNRWIAHNCKH-QWRGUYRKSA-N 328.819 2.570 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N3CCC(OC4CCC4)CC3)cc12 668434184 HFWJGSNDJQYORD-UHFFFAOYSA-N 343.431 2.842 0 50 EFAA CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCCCn2ccnc2)C1(C)C 1775993651 UISRDPMULJYBIE-LSDHHAIUSA-N 336.480 2.802 0 50 EFAA COc1cccc(C)c1C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 1506412253 VRJGRXCZRDWRBU-HNNXBMFYSA-N 338.407 2.787 0 50 EFAA COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(N)=O)cc1 169180 IEUMDKBPWMQASY-XNTDXEJSSA-N 330.771 2.605 0 50 EFAA biogenic CNc1ncc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529158515 FPWWHJXJUJOREZ-DLBZAZTESA-N 338.411 2.511 0 50 EFAA O[C@H]1CCCN(c2ccnc(NCc3cc4cc(F)ccc4[nH]3)n2)C1 1704299903 UWNDVYORVFVJQI-HNNXBMFYSA-N 341.390 2.670 0 50 EFAA CO[C@H]1CN(Cc2cncn2CC(C)C)C[C@H]1Cc1cc(C)no1 1704338650 XATGCFXVSRWUSC-QAPCUYQASA-N 332.448 2.525 0 50 EFAA Cc1nc(-c2ccc(-c3noc(C4CC4)n3)cc2)n(-c2ccnn2C)n1 1772816216 IUBCWDLTURZMOO-UHFFFAOYSA-N 347.382 2.904 0 50 EFAA CCCN1CCC(N2CCO[C@@H](Cc3cccc(OC)c3)C2)CC1 11844020 CFFZZMLKZKREGV-FQEVSTJZSA-N 332.488 2.813 0 50 EFAA O=C(NC[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc(F)cc1 12313732 PEHIINMZAKQJAV-CYBMUJFWSA-N 330.359 2.701 0 50 EFAA CSCCC(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12440768 OAINDCFSBWJJDX-UHFFFAOYSA-N 346.408 2.708 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 12459577 AUQXYIJTBHWRPR-ZDUSSCGKSA-N 348.472 2.879 0 50 EFAA CCN(c1ccc(C(=O)Nc2cccc(OC)c2)cc1)S(C)(=O)=O 13678407 BQIMQKMRZMBDEO-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA Cc1ccc(C)c(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 16625107 CQMIQMYGTFODAL-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA COC(=O)CCCC(=O)NCc1cccnc1N1CCCCCCC1 19146967 ZWGXVVQJQVQTBA-UHFFFAOYSA-N 347.459 2.812 0 50 EFAA CN(CCN1CCCCC1)Cc1nc(Cc2ccccc2F)no1 19792599 JJYSTMWIMCMRIW-UHFFFAOYSA-N 332.423 2.717 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)[C@H](O)c1ccc(Cl)cc1 1857679922 APFJYGCNWOULKJ-QGZVFWFLSA-N 343.814 2.882 0 50 EFAA CC(C)[C@@](C)(O)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 332231160 DNPFBTWGGJKCSF-UYAOXDASSA-N 332.488 2.812 0 50 EFAA COc1nc2ccccc2cc1-c1cncc(C(=O)N2CCCC2)n1 1875243530 KRJCNTBBZOERCN-UHFFFAOYSA-N 334.379 2.936 0 50 EFAA CN(c1ncc(Cl)cn1)C1CCN(CCc2ccccn2)CC1 301488006 IWIRZSVNLVAMBD-UHFFFAOYSA-N 331.851 2.668 0 50 EFAA CCC1(CC)CN(C(=O)NC[C@@H]2CCN(C3CC3)C2)CCS1 464372572 HFLRIPLIHYUNRA-AWEZNQCLSA-N 325.522 2.788 0 50 EFAA COCOc1ccc(N2CC[C@H](CNc3cccc(C)n3)C2)nc1 252503896 VHAMWDDYKBLNQQ-OAHLLOKOSA-N 328.416 2.706 0 50 EFAA O=C(c1nnc2ccccc2n1)N(Cc1ccc(O)cc1)CC1CC1 253418530 SNLCVGBHVCMQND-UHFFFAOYSA-N 334.379 2.783 0 50 EFAA C[C@H]1CCOCCN1C(=O)c1cc(Br)cc2nc[nH]c12 367101254 SCIMZMVRMBLZMI-VIFPVBQESA-N 338.205 2.576 0 50 EFAA COCc1csc(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)n1 368114885 KDTHEKCHNONOEY-NSHDSACASA-N 341.824 2.618 0 50 EFAA CCn1nc(C2CC2)cc1C(=O)Nc1nc2ccc(Cl)cn2n1 904025324 NRQUSVWIEXARFJ-UHFFFAOYSA-N 330.779 2.729 0 50 EFAA C[C@@]1(O)CCOC2(CCN(C3CCN(Cc4ccco4)CC3)CC2)C1 1704311807 SJGUGQNVQFQODG-LJQANCHMSA-N 348.487 2.640 0 50 EFAA Cc1cc(F)cc(C)c1C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910610481 HYXFFXHFXKBGBX-FHBSJOOWSA-N 335.375 2.585 0 50 EFAA CCn1ncc2c1CCC[C@H]2NC(=O)c1c(F)ccc2c1OCO2 934077306 NWMTUFGTARYFAP-GFCCVEGCSA-N 331.347 2.578 0 50 EFAA Cc1csc([C@H]2CCCN2C(=O)Nc2nnn(C)c2C(F)F)n1 934806086 YKSXRAUZSGRUPG-MRVPVSSYSA-N 342.375 2.887 0 50 EFAA Cc1nc(-c2cn([C@H](C(=O)NC3CC3)c3ccccc3)nn2)cs1 1875282705 PEBAFUKYLWCBPL-INIZCTEOSA-N 339.424 2.578 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@]34CC=C[C@@H](C3)OC4)c12 1875298680 JQNOGNQLDHKCKR-SGTLLEGYSA-N 325.368 2.626 0 50 EFAA NC[C@@]1(C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)CC12CCC2 1875293032 ZZQOMLIZGDWTOL-ORAYPTAESA-N 332.419 2.756 0 50 EFAA O=S1(=O)CCC(CNCc2ccnc(-c3ccccc3)c2)CC1 877658790 XOLYAEKHTZAOCP-UHFFFAOYSA-N 330.453 2.663 0 50 EFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1nc(C(C)(C)C)co1 893065040 ITUVUEBDHITCJD-CQSZACIVSA-N 343.431 2.947 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC2(CCC[C@H]2CN)CC1 1772315176 JXRWTIPDPRSJLY-YOEHRIQHSA-N 346.519 2.583 0 50 EFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCC13CCCC3)CC2 2325745370 LUXJGLYYSYZMLZ-KBPBESRZSA-N 331.464 2.738 0 50 EFAA CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](OCCN)C1 2325787378 XOTKSZHVMITZAE-MRXNPFEDSA-N 347.503 2.922 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC[C@@]4(CCOC4)O3)cc2)c1C 2325791568 QIZOAQPRPNVUMR-MJGOQNOKSA-N 341.411 2.766 0 50 EFAA C[C@H](NCc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccccc12 2325796542 XGVOUXPBANOXAM-AWEZNQCLSA-N 337.427 2.645 0 50 EFAA COc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(OC)c1 456084 OTVQXBLDWXLWOE-UHFFFAOYSA-N 330.409 2.760 0 50 EFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 617124 OESPMKGTVFAXHG-UHFFFAOYSA-N 330.453 2.814 0 50 EFAA Cc1nc(=NC[C@@H](c2cccnc2)N2CCCCC2)[nH]c(C)c1C 2356143865 AZABIJLDCMGZFN-SFHVURJKSA-N 325.460 2.858 0 50 EFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(F)c(F)c2)C1=O 2356149050 HHMKWGWITYJNHJ-GOSISDBHSA-N 338.398 2.568 0 50 EFAA COCCSc1ccccc1C(=O)Nc1nnc(COC)s1 4355909 INZWACKWUAOMMV-UHFFFAOYSA-N 339.442 2.675 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C 4809460 VPOXGHSEVIGQTR-UHFFFAOYSA-N 349.408 2.966 0 50 EFAA COc1ccccc1CN(C(=O)CNC(=O)c1ccccc1)C1CC1 55284201 VWGGCLBHYXUKGR-UHFFFAOYSA-N 338.407 2.616 0 50 EFAA Cc1cccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 10112403 UMGOAIVWSACBKQ-UHFFFAOYSA-N 332.425 2.605 0 50 EFAA COc1cccc(OCC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 225677715 WUJRICGZYNOKLU-QAPCUYQASA-N 345.370 2.548 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COc2ccc(F)cc2)c1 225740710 VMQYPOBFUAGRBB-MAUKXSAKSA-N 345.370 2.548 0 50 EFAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)cc1 101360450 GCXZUGUVRMHIBL-LAQRGFTBSA-N 337.375 2.870 0 50 EFAA COc1ccc(CN[C@H]2COc3ccccc3C2)c(OC)c1OC 23128627 QMHDPZULXRRLOS-OAHLLOKOSA-N 329.396 2.806 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 20028768 UFYMKQCZKSNPRU-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA C[Si](C)(C)CCOCn1nnc2ncc(Br)cc21 170021496 IFUKSOSLGPJPHG-UHFFFAOYSA-N 329.274 2.901 0 50 EFAA CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 247209510 YUUTYVTZQQFBMD-XOKHGSTOSA-N 334.847 2.770 0 50 EFAA O=C(c1csnn1)N1CCc2onc(-c3cccc(F)c3)c2C1 20867783 FAVGRLRITQHFCH-UHFFFAOYSA-N 330.344 2.531 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(C(N)=O)cs1 136998491 HZMHJZBPAKXOQW-GFCCVEGCSA-N 344.436 2.706 0 50 EFAA c1ccc(-c2ccccc2OCCOCCN2CCNCC2)cc1 20272666 GOGRYXZITYMYQP-UHFFFAOYSA-N 326.440 2.654 0 50 EFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@H]1CCc1ccccc1 67695616 LHOZOAOPSGGEJQ-QGZVFWFLSA-N 336.443 2.753 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)CCc2[nH]nc3c2CCCC3)c1C 67739544 GYXSAHISHPNKKJ-LBPRGKRZSA-N 343.475 2.932 0 50 EFAA O=C(c1cccn1C1CC1)N1CCN(CCOc2ccccc2)CC1 179963791 DCVDYCGXSNSYSY-UHFFFAOYSA-N 339.439 2.660 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)NCc1c(Cl)cccc1OC 252483116 DVLNLOVRHBVLSK-AWEZNQCLSA-N 338.835 2.756 0 50 EFAA COc1ccc(C(=O)NCCN2CCC[C@H](C)C2)c(OC(F)F)c1 252488721 IXMUSAJEYODGDB-LBPRGKRZSA-N 342.386 2.758 0 50 EFAA C[C@H](CCc1ccco1)NC(=O)c1ccccc1N1CCOCC1 61133051 AGAHSXVWMFVVNZ-OAHLLOKOSA-N 328.412 2.867 0 50 EFAA CCOC(=O)CCN(Cc1ccccc1)CC(F)(F)C(=O)OCC 72194228 QMSSIOMZIPGJDB-UHFFFAOYSA-N 343.370 2.640 0 50 EFAA CC1(C)[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)[C@@H]2CCO[C@H]21 230193838 SDQJVUYSLURMGK-ZHCJQAHYSA-N 336.476 2.525 0 50 EFAA Cc1ncsc1CCCn1ccnc1-c1cc2n(n1)CCCNC2 72480999 DIJSWFFGTUQSGV-UHFFFAOYSA-N 342.472 2.638 0 50 EFAA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNCc1cccc2[nH]ccc12 328649867 VHLCPIIKIRKSDX-RDJZCZTQSA-N 341.434 2.604 0 50 EFAA COc1cccc([C@H]2CCN2Cc2cccc(OCC(N)=O)c2)c1 215009586 UDUDOMFSHGXRFT-GOSISDBHSA-N 326.396 2.506 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337132055 BRAJJTZHZHMVSZ-FLLWYEDFSA-N 343.467 2.959 0 50 EFAA CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 257365656 DTWXWXJHLGDULW-KBPBESRZSA-N 338.883 2.920 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H](C)N1 153986320 RFXQCIFXEXYKGL-TXEJJXNPSA-N 325.250 2.591 0 50 EFAA Cc1cnccc1OC1CCN(Cc2ncc([C@H](C)O)s2)CC1 366093270 PCYTZHUZDSVAJQ-ZDUSSCGKSA-N 333.457 2.943 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2cncc(Br)c2)CC1 375657044 KTGFLQWTNRTTBK-CYBMUJFWSA-N 337.221 2.517 0 50 EFAA COc1ccc(CN(C)Cc2ccc3nonc3c2)cc1C(=O)O 215340708 ZPDYYBDELMOMDX-UHFFFAOYSA-N 327.340 2.562 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 332002576 MZZANIVGYUMJKK-STQMWFEESA-N 340.210 2.987 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1C(F)(F)F 262152470 HWPLKBXAKUHPPO-VXGBXAGGSA-N 338.285 2.570 0 50 EFAA Cn1ncc2c(N3CCCC[C@H]3c3nnc(C4CCC4)o3)ncnc21 377162699 UUJKMQPNBGYCFZ-ZDUSSCGKSA-N 339.403 2.745 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 237455104 JBAITMZLJRGNIL-YJBOKZPZSA-N 339.439 2.860 0 50 EFAA CCc1cnc(CCNC(=O)N2CCC(c3ccnn3C)CC2)s1 173387682 LIXZYSVUBFHQNB-UHFFFAOYSA-N 347.488 2.571 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(Br)cn1 284675750 XQDBXCDGORXVBP-YDHLFZDLSA-N 341.249 2.600 0 50 EFAA O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@@H](C2CCOCC2)C1 242317040 YWUJENOEOBHGOF-OAHLLOKOSA-N 341.415 2.548 0 50 EFAA C[C@H]1OCCN(Cc2ncc(C3CC3)o2)[C@@H]1c1nc(C2CC2)no1 286070203 GNLGRIFNSOQQNY-BMIGLBTASA-N 330.388 2.774 0 50 EFAA CCC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCC1 176331978 APCBCKHCLVUXJF-OAHLLOKOSA-N 330.428 2.693 0 50 EFAA O=C(CC1=CCCC1)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 223681944 IMRVXANSNRYQKI-WKILWMFISA-N 326.444 2.939 0 50 EFAA COc1ccc(C(=O)NCc2cc3ccccc3o2)c(OCCN)c1 426689115 GVCGAFAIVIANLN-UHFFFAOYSA-N 340.379 2.709 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)CCn2c(C)cccc2=O)c1 426545522 ZTPDLGKLESPBSJ-GOSISDBHSA-N 340.423 2.919 0 50 EFAA O=C(c1cccc(-c2ccc(Cl)cc2F)c1)N1CC[C@](O)(CO)C1 426479773 RRUBFOZHDQDKGG-GOSISDBHSA-N 349.789 2.715 0 50 EFAA NC[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 178542882 RBXCPCJXHKNHDW-UGSOOPFHSA-N 346.377 2.892 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc1 91585645 HWBFEPLUJXMEBD-KUHUBIRLSA-N 332.444 2.778 0 50 EFAA Cc1nn(C)c2nc(N3CCC(OCc4cccnc4)CC3)sc12 95500449 XIRBKVCUBNSPIR-UHFFFAOYSA-N 343.456 2.919 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)NCCSC1CCCCC1 92062328 GYQTZIQGXUCZSC-UHFFFAOYSA-N 345.468 2.579 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@H]2O 91986337 AYFHNPGMPJSTFQ-QGZVFWFLSA-N 335.419 2.681 0 50 EFAA O=C(Cc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 95387999 SZWVNTXWFPPFLE-FUHWJXTLSA-N 344.430 2.618 0 50 EFAA C[C@H](Cc1cnccn1)N(C)CCC(=O)Nc1ccc2c(c1)CCC2 244601803 DRZUUJFMMZVXKT-OAHLLOKOSA-N 338.455 2.857 0 50 EFAA Cc1nc(-c2cccc(NC(=O)Cc3c(C)nn(C)c3Cl)c2)n[nH]1 180516458 DJNOHMPDXAFMIO-UHFFFAOYSA-N 344.806 2.657 0 50 EFAA Cc1nnc(CCCN2CC[C@@H](n3c(C)nc4c3CCCC4)C2)o1 299740120 WACZEMIHFXBQAW-OAHLLOKOSA-N 329.448 2.641 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ccc(C)cc32)cn1 181351758 UATVDTCXIJNETK-CYBMUJFWSA-N 348.424 2.765 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1C1CCCC1 181377877 ZZZCXSLYQZJZOH-HNNXBMFYSA-N 328.420 2.792 0 50 EFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(N(C)C)ccn1 184372898 GYNOOXNMBZZDCA-INIZCTEOSA-N 338.455 2.889 0 50 EFAA CC(=O)[C@@H]1CC[C@@H]2[C@]34CC[C@@]5(O)C[C@@H](O)CC[C@@]5(CO3)[C@@H]4CC[C@]21C 253595927 LBXLCHLTYHVXJM-CYSKRYSLSA-N 348.483 2.843 0 50 EFAA CC(C)C(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 374227272 AHJJKSGJAGYIOT-GOSISDBHSA-N 344.455 2.561 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cnc2cnn(C)c2c1 1940197658 GHKXZRNUFUYNBC-UHFFFAOYSA-N 337.358 2.861 0 50 EFAA O=C(CCOc1ccccc1)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565509427 JJMUBSHVBIKGQT-ROUUACIJSA-N 333.428 2.546 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC[C@@H](Cc2nccn2C)C1 170604505 YEBFDJLKOUCDNJ-HNNXBMFYSA-N 347.484 2.673 0 50 EFAA Cc1noc(-c2ccccc2C(=O)N2C[C@H](C)Oc3ncccc32)n1 170608848 CGWXUGUHKUQQED-NSHDSACASA-N 336.351 2.868 0 50 EFAA Cc1cnc(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cn1 170616690 LHRNKFQHIIKARA-UHFFFAOYSA-N 330.331 2.919 0 50 EFAA COc1ccc(Cc2noc(CN3CCC(C)CC3)n2)cc1OC 170604049 VLEWOHOBXHZZCC-UHFFFAOYSA-N 331.416 2.910 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H](C)c2cccs2)o1 275492714 WGARMPUJJHXLOB-RYUDHWBXSA-N 335.429 2.958 0 50 EFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC2Cc3ccccc3C2)cc1 185708467 SNRLLPBOMDXRHY-HXUWFJFHSA-N 348.446 2.770 0 50 EFAA COc1ccccc1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186576157 ZMUJIEXPCBSKFJ-KRWDZBQOSA-N 339.439 2.875 0 50 EFAA CCC[C@]1(C)C(=O)NCCN1Cc1coc(-c2ccc(F)cc2)n1 187294342 LLBRXQNNKIBCFU-GOSISDBHSA-N 331.391 2.971 0 50 EFAA Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)c(=O)n1C 683848889 NROISDPWPJKKGK-QGZVFWFLSA-N 339.439 2.986 0 50 EFAA CC[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)Oc1cccc(C)c1 188971766 YPIWQXHEBYMNAO-AWEZNQCLSA-N 330.432 2.929 0 50 EFAA C[C@]1(c2ccccc2)CC(=O)N(CC2CCC3(CC2)OCCO3)C1=O 192190101 DIEVBJDKZQQQDM-LJQANCHMSA-N 343.423 2.637 0 50 EFAA COCCN(C(C)=O)c1nc(Cn2cnc3ccccc32)cs1 194556471 BQVFXJFPSWRUMM-UHFFFAOYSA-N 330.413 2.540 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1C[C@H]3CC[C@H]1[C@H](C(=O)O)C3)CCC2 659218904 FIZDCRWXWMYSJN-HZCDGDGTSA-N 343.423 2.827 0 50 EFAA O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@@H](O)c1ccccc1 755495354 KVVDFALQFGGTIH-MRXNPFEDSA-N 331.799 2.667 0 50 EFAA Cc1nc(C)c(C(=O)N2CCCN(Cc3cc(C(C)C)on3)CC2)o1 1529111295 VHWBECGHMKGANP-UHFFFAOYSA-N 346.431 2.751 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(CCO)Cc3[nH]cnc3C)c2)n1 1704337743 YUWQRKRCHWSYNC-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA Cc1cc2cccc(C(=O)N(CCN(C)C)Cc3[nH]cnc3C)c2o1 1704313009 KKNBZRRPCNGBET-UHFFFAOYSA-N 340.427 2.977 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(CCCn3ccnc3C)C1)CC2 1704313688 NEXOGOQCUCAABK-IBGZPJMESA-N 325.460 2.660 0 50 EFAA CCOC(=O)[C@]1(CCOC)CCCN(C2Cc3ccccc3C2)C1 11841730 OTCLXHMQQYILQS-FQEVSTJZSA-N 331.456 2.836 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ncc[nH]2)C1 11936599 VXIMPBFCGCKIAM-LJQANCHMSA-N 327.428 2.798 0 50 EFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc3c(c2)CCO3)C1 12206744 ZBEOIYWEIPIGHG-FQEVSTJZSA-N 347.455 2.803 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNC1CCCCC1 12704836 NVCFRYYNKNVPOC-LJQANCHMSA-N 334.435 2.602 0 50 EFAA CCc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 16689052 HZNISQRIDXIUTR-UHFFFAOYSA-N 340.379 2.622 0 50 EFAA Cc1nnc(Cn2nnc(C(=O)NCCCCCCC(C)C)c2C)o1 408524832 ZSJHIXKVLIZVEL-UHFFFAOYSA-N 348.451 2.663 0 50 EFAA COc1ccccc1[C@H]1CN(C(=O)c2cc(C)oc2C)C[C@@H]1C(=O)O 222136628 SOVLHWDKLMIDTF-CVEARBPZSA-N 343.379 2.845 0 50 EFAA CC(C)n1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)n1 328588376 OMGMIYRQHHQPKW-JSGCOSHPSA-N 334.445 3.519 0 50 EFAA COC(C)(C)CC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 331700359 WAGOLXOGBWLXOB-UHFFFAOYSA-N 342.443 2.993 0 50 EFAA C[C@H]1CCc2c(sc3ncn(Cc4cc(C(=O)O)co4)c(=O)c23)C1 736802743 QHSWMDYJSWRANB-VIFPVBQESA-N 344.392 2.922 0 50 EFAA O=C(O)CCN(C(=O)c1cccc(F)c1Cl)C1CCOCC1 238075437 ALNMGWJSMNYSNU-UHFFFAOYSA-N 329.755 2.575 0 50 EFAA CC(=O)NS(=O)(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 133537672 YDGATVLMSYSOAU-UHFFFAOYSA-N 344.314 2.564 0 50 EFAA O=C(CN1CCC[C@@H](O)C1)N[C@@H](c1ccc(F)cc1)c1cccs1 247848466 FTKGHJJUQFAWHN-QAPCUYQASA-N 348.443 2.550 0 50 EFAA Cc1ncc(Br)cc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2 667659765 MSBANKDUMAIGBQ-FOSCPWQOSA-N 339.237 2.557 0 50 EFAA OC[C@]1(CNCc2ccc(N3CCCC3)nc2)C[C@H]1c1ccccc1 353226248 NGLBJNFFGGTXRQ-PZJWPPBQSA-N 337.467 2.938 0 50 EFAA Cc1ccc(C)c([C@H]2CN(C(=O)[C@H]3CCN[C@@H](C)C3)[C@H](C)CO2)c1 262419415 USGNNPNANOPAKB-MJQMVNBJSA-N 330.472 2.980 0 50 EFAA Cc1ccc(N2C(=O)N[C@](C)(Cn3cccn3)C2=O)c(Cl)c1C 900242241 QOFSWSBYQXUUSP-MRXNPFEDSA-N 332.791 2.668 0 50 EFAA Cc1ccc2cc(Cl)cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)c2n1 910801425 MOOAUCTVLUESCY-WDNDVIMCSA-N 330.771 2.599 0 50 EFAA C[C@@](O)(CNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1ccc(F)cc1 911432636 HMNCVRPYLMGEAK-LMDPOFIKSA-N 349.402 2.575 0 50 EFAA Cn1nncc1NC(=O)N(Cc1nc2ccccc2s1)C1CC1 931275874 DXNHQRJNZOAPES-UHFFFAOYSA-N 328.401 2.621 0 50 EFAA CC(C)Oc1cccc(C(=O)NC[C@H]2CC(=O)N[C@H](C)C2)c1Cl 952876144 CACMLXWKGZZEAD-VXGBXAGGSA-N 338.835 2.772 0 50 EFAA Cc1nonc1CNC(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 876437181 DBEDNRKYIMBRRC-HOTGVXAUSA-N 344.415 2.766 0 50 EFAA Cc1ccc(F)cc1CN1CCC[C@@H](c2nn(C)cc2C(=O)O)C1 1875266334 QPUMCRVBRNHJOR-CYBMUJFWSA-N 331.391 2.945 0 50 EFAA O=S(=O)([C@@H]1C[C@H]2CCC[C@H]21)N1CC(c2cnc3ccccc3n2)C1 1875298148 PNMHMSYZGCXMBC-RVZJWNSFSA-N 343.452 2.547 0 50 EFAA O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cccc2c1CNC2 1875348797 CVXATNOKJRLDCD-HXUWFJFHSA-N 332.403 2.906 0 50 EFAA C[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1cc(C(F)(F)F)n[nH]1 1875321030 RMPJYRCOEMGVBG-SCSAIBSYSA-N 341.215 2.661 0 50 EFAA FC(F)(F)c1ncnc(NCCc2cc[nH]n2)c1Br 1775986993 NKLNCDHJDZPMOR-UHFFFAOYSA-N 336.115 2.636 0 50 EFAA COc1ccc(CN(C)c2ncc3ncn(C)c3n2)c2cccnc12 2100483557 DLAXCBMZFNUCCT-UHFFFAOYSA-N 334.383 2.557 0 50 EFAA CN[C@H](Cc1ccc(F)cc1)c1cn(-c2ccc(Cl)nc2)nn1 2325857176 RUROFHJCOUVPDF-CQSZACIVSA-N 331.782 2.958 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)c2noc3c2C[C@@H](C)CC3)C(=O)O)c1 2325865414 BEOXOGMYSYUXLD-MGPLVRAMSA-N 342.395 2.972 0 50 EFAA CC(C)c1cc([C@H]2CCCN(Cc3noc4c3COCC4)C2)n[nH]1 931608182 OINYHOLPPYWELL-ZDUSSCGKSA-N 330.432 2.973 0 50 EFAA CCn1cc(C(=O)N[C@@]2(C)CCOC2)c(=O)c2cc(Cl)ccc21 225583757 VVZSFIRANKMNMQ-KRWDZBQOSA-N 334.803 2.584 0 50 EFAA C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 219248 JOSRXIMQTVPDKL-OAHLLOKOSA-N 333.391 2.788 0 50 EFAA COCCOC(=O)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 1857798354 XSQMSPOPDCUBMQ-UHFFFAOYSA-N 337.788 2.914 0 50 EFAA CC(=O)n1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCCC3 309615 GUTLKNZBPYNZFE-UHFFFAOYSA-N 340.404 2.753 0 50 EFAA C[C@H](C(=O)Nc1cccc(F)c1)N(c1ccccc1)S(C)(=O)=O 314698 ZUAQQGRIWUMUOH-GFCCVEGCSA-N 336.388 2.619 0 50 EFAA COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC 370724 LIHHSRQLJBNWMY-UHFFFAOYSA-N 334.397 2.733 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccc(OC)c(C(=O)O)c3)C[C@H]21 2356136648 CSZVVHFGOQKOGP-GMBSWORKSA-N 333.428 2.766 0 50 EFAA C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1C 3588023 ORUKADIZZKBWRV-GXTWGEPZSA-N 345.472 2.664 0 50 EFAA COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)c(OC)c1 4725482 GTXYJBKIWHCQMF-UHFFFAOYSA-N 334.460 2.688 0 50 EFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2)n1 4867939 UJVNKVFPOHDHIV-UHFFFAOYSA-N 339.804 2.566 0 50 EFAA CC(C)(C)[C@@H]1CC[C@@H]2OCCOCCOCCOCCO[C@@H]2C1 6357368 KEDVODGFVKTPLB-IXDOHACOSA-N 330.465 2.666 0 50 EFAA O=C(COCc1cc(-c2cccs2)on1)NCc1ccccn1 6876534 XQABZFYIMCWKEC-UHFFFAOYSA-N 329.381 2.631 0 50 EFAA Cc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7708153 FMTPHBLXTDTSDI-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA COc1ccccc1/C=C/CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245724183 INISLZDNBGCKQO-HDCIMXRVSA-N 337.485 2.996 0 50 EFAA COCCN(Cc1cccs1)C(=O)Cc1cc(OC)ccc1OC 55269503 YACRIPOFOCTZAI-UHFFFAOYSA-N 349.452 2.983 0 50 EFAA Cc1csc2ncnc(N3CCCC[C@H]3C(=O)NCC(F)F)c12 413313429 HQWOCPHMCNIBDS-JTQLQIEISA-N 340.399 2.740 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N2CCOCC2)ncn1 225486336 ZTSJNPLPFAFHBZ-CYBMUJFWSA-N 344.463 2.746 0 50 EFAA C[C@H](COc1ccc(F)cc1)NC(=O)c1c[nH]c(=O)c2ccccc12 225537183 AGGZUJSEELJZFQ-GFCCVEGCSA-N 340.354 2.865 0 50 EFAA CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 9426529 ABSJUWDPHVYVPP-LBPRGKRZSA-N 344.440 2.728 0 50 EFAA CSc1ccccc1C(=O)N1CCC[C@@H](N(C)CCCN(C)C)C1 20599097 YAGDVOBYUIEDHJ-MRXNPFEDSA-N 349.544 2.897 0 50 EFAA Clc1cc(Br)ccc1OCCCN1CCNCC1 22942791 LHYVKDWKNAAGBR-UHFFFAOYSA-N 333.657 2.777 0 50 EFAA CN(Cc1noc(C2CC2)n1)C(=O)c1ccccc1N1CCCC1 20910021 IZSWLVFUWZBPSN-UHFFFAOYSA-N 326.400 2.819 0 50 EFAA CC(=O)c1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100628937 MVNKCAOFHKGGTN-GJZGRUSLSA-N 332.787 2.776 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 248244715 IYBMYHSMNZCTQD-DUPGQFARSA-N 336.457 2.672 0 50 EFAA C[C@H](NC[C@@H](O)c1ccc(Br)cc1)[C@H](C)n1cccn1 248241170 HEQLYLFFLHUWCD-SLEUVZQESA-N 338.249 2.918 0 50 EFAA O=C(NC1CCCCC1)c1ccc(Oc2ccc3nncn3n2)cc1 61719086 TYNYDTKYPWJNFK-UHFFFAOYSA-N 337.383 2.979 0 50 EFAA COCCOc1ccc(NC(=O)[C@@H](C)c2ccnn2C)cc1Cl 421457585 ZYQQSNCNTQLTIS-NSHDSACASA-N 337.807 2.841 0 50 EFAA COc1ccc(CN2CCC[C@@H](N(C)CCCN(C)C)C2)c(F)c1 20869180 CHFFWSZTXRMNRO-QGZVFWFLSA-N 337.483 2.682 0 50 EFAA COCc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1 20534799 RBNCPSBYEDLJEJ-UHFFFAOYSA-N 342.424 2.961 0 50 EFAA O=C(NCCc1ccsc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 141065349 DKUZBCPVTOOBTF-KRWDZBQOSA-N 342.464 2.641 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(-n2cnnc2)c1 67756397 ZGGUGFAJVZADPH-UHFFFAOYSA-N 338.415 2.560 0 50 EFAA COc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)o2)c1 67847760 PUSQESMQBPQFIT-NSHDSACASA-N 326.356 2.575 0 50 EFAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2nnn[nH]2)nc1 65431627 OUUKMLNAYQMIFL-UHFFFAOYSA-N 345.410 2.930 0 50 EFAA CC[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1OCC(=O)N1CCCC1 252477234 KKYHLOYCDSPMCL-SZMVWBNQSA-N 346.471 2.906 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1 153955243 HRLTUHQHYLUQJF-TXEJJXNPSA-N 330.350 2.727 0 50 EFAA Cc1noc([C@H](C)NC(=O)CCSc2ccc3c(c2)OCCO3)n1 65536182 DPLTURPENKIDHI-JTQLQIEISA-N 349.412 2.509 0 50 EFAA COc1ccc2c(N3CCC[C@H]3c3cnn(C)c3)ncnc2c1F 281206492 CUXRRPXZKGIUAT-ZDUSSCGKSA-N 327.363 2.853 0 50 EFAA COCCCN(Cc1ccc2nsnc2c1)C1CCN(C)CC1 72463634 QPFUVSYXPMRWCM-UHFFFAOYSA-N 334.489 2.624 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cc(NCC3CC3)ncn2)C1 281678276 MCPQTWXHRXEYPU-CVEARBPZSA-N 328.391 2.750 0 50 EFAA O=C(CC1CCCC1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219688792 OFMOJCDYCWCCQO-FQEVSTJZSA-N 339.439 2.887 0 50 EFAA Cc1nc2n(c(=O)c1C)CN(Cc1ccccn1)CN2c1ccccc1 36125624 RLPGJGRLWABFQX-UHFFFAOYSA-N 347.422 2.824 0 50 EFAA Cc1ccc2snc(C(=O)N3CCOC[C@@H]3[C@H]3CCCC3=O)c2c1 329035265 MSDMIBQEPRBMQE-TZMCWYRMSA-N 344.436 2.815 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC13CCS(=O)(=O)CC3)CCC2 253416560 SBLPPRBDJAJMGF-DLBZAZTESA-N 347.480 2.704 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 152918731 VOJONXXSQHWWIH-RYUDHWBXSA-N 346.818 2.947 0 50 EFAA COc1ccc([C@H](NS(=O)(=O)C[C@H]2CCCCO2)C2CC2)cc1 253423947 SIGXRBFQKOTBAG-IAGOWNOFSA-N 339.457 2.635 0 50 EFAA CN(C)C/C=C/C(=O)N(C)Cc1cnn(-c2cccc(Cl)c2)c1 364303586 APMSNZRWADKEAL-VMPITWQZSA-N 332.835 2.602 0 50 EFAA COC1(c2noc(C[C@H]3c4ccccc4CCN3C(C)=O)n2)CCC1 364473492 DHXKGCFZMAPIRG-INIZCTEOSA-N 341.411 2.784 0 50 EFAA Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2ccco2)CC1 77287874 OHFGWAOAKVODAA-UHFFFAOYSA-N 343.475 2.774 0 50 EFAA CN(C(=O)Nc1cccc(N2CCOCC2)c1)C1CCC(CO)CC1 155326733 UDOJHZWJMPXQPV-UHFFFAOYSA-N 347.459 2.538 0 50 EFAA COc1c(C)cc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)cc1C 367413774 WDNSSQRVYMSVSQ-OKZBNKHCSA-N 346.471 2.636 0 50 EFAA CN(C)Cc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)c(F)c1 496396606 DKUVUWFWEFSDRN-UHFFFAOYSA-N 339.411 2.741 0 50 EFAA O=C(c1ccnc(O)c1)N1CCC[C@H](Cn2cnc3ccccc32)C1 369055154 OCHZCMRIGUDEDA-AWEZNQCLSA-N 336.395 2.689 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CC[C@@H](Cc2ccncc2)C1 369126486 LMZNIHAKFXESSL-AWEZNQCLSA-N 336.370 2.869 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)CCN1CCCCCC1=O 215090860 LRICIAHHBHZAGR-UHFFFAOYSA-N 341.455 2.928 0 50 EFAA O=S1(=O)CCN(C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 215884060 LQSLOWCLZXDYRR-LJQANCHMSA-N 341.476 2.723 0 50 EFAA Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1c(C)cnn1C 331694595 YTHAPLMVDGECRY-HNNXBMFYSA-N 337.420 2.702 0 50 EFAA CCCc1nc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c2cnn(C)c2n1 72411766 JBWBUUXSKWGIBB-UHFFFAOYSA-N 341.463 2.973 0 50 EFAA COc1cc(CN2CCCCCCC2)cc(Cl)c1OCC(N)=O 158959186 FPEPPLYVHKUMBK-UHFFFAOYSA-N 340.851 2.979 0 50 EFAA COc1cc(C)ccc1OCCN1CC[C@]2(CCCO2)CCC1=O 72127481 MNWQNSYWLXHTSN-IBGZPJMESA-N 333.428 2.944 0 50 EFAA O=C(c1cnccn1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72473879 ZGVGDNSAQCXXRS-UHFFFAOYSA-N 325.347 2.512 0 50 EFAA CC[C@@](NC(=O)[C@H](C)c1c(C)nn(C)c1C)(C(=O)O)c1ccccc1 262501256 ZEFREEOHVDCWGA-BLVKFPJESA-N 343.427 2.647 0 50 EFAA CNCc1cccc(NC(=O)c2cc(OC)c(OC)cc2OC)c1 237239005 MKUQEHXVIUFWPF-UHFFFAOYSA-N 330.384 2.684 0 50 EFAA CCCc1cc(N2CCN(c3ncccc3C)CC2)n2nccc2n1 72157473 CZSMXQXJYCGWIH-UHFFFAOYSA-N 336.443 2.712 0 50 EFAA O=C(Cc1ccc(O)cc1)N[C@H]1CCN(c2ccccc2Cl)C1=O 133732523 NUGOEHQGYHLGDK-HNNXBMFYSA-N 344.798 2.510 0 50 EFAA NC1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 237867905 SGAYYQNSMOSLAB-DAFODLJHSA-N 327.197 2.551 0 50 EFAA Nc1[nH]nc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)c1Cl 220709870 AQKBQROEQCCYJS-LBPRGKRZSA-N 348.834 2.978 0 50 EFAA CCCN(CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C)CC(F)(F)F 241701790 QLCQNWUVXIBOHA-VXGBXAGGSA-N 349.397 2.965 0 50 EFAA CCCCCC[C@H](O)CN1CCC[C@H](C(=O)NCC(F)(F)F)C1 242183909 XCXXOGLAXRVSMW-KBPBESRZSA-N 338.414 2.708 0 50 EFAA O=C(COCC(=O)N1CC[C@@H]2CCCC[C@H]21)N1CC[C@@H]2CCCC[C@@H]21 229323413 FHCSNSKVFJJCGT-XLAORIBOSA-N 348.487 2.585 0 50 EFAA Cn1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 287851030 ZEOXZGLKPXIKMH-QRVBRYPASA-N 339.439 2.739 0 50 EFAA Cc1cccc(-c2nc(CNC(=O)Cc3nonc3C)cs2)c1 222226633 FHBDDXMJQZFSMZ-UHFFFAOYSA-N 328.397 2.669 0 50 EFAA CC(C)c1noc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)n1 82092431 IGPCIPJXPXZYDV-GFCCVEGCSA-N 345.428 2.808 0 50 EFAA CSc1cccc(CN(C)C(=O)NCCc2nncn2C(C)C)c1 426515499 HPLKCDDYUDICMZ-UHFFFAOYSA-N 347.488 2.965 0 50 EFAA CSCCc1nc(C[C@@H]2CCc3ccccc32)n(CC(=O)O)n1 97370337 PQMVVCOVICLDMJ-ZDUSSCGKSA-N 331.441 2.541 0 50 EFAA Cc1cnc(CNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)cn1 96165193 HDAUMCHIAGODJS-ZDUSSCGKSA-N 339.399 2.622 0 50 EFAA Cc1cccc(-n2nc(C)nc2[C@@H]2CCCN(C3CCOCC3)C2)n1 97654057 XONXNUOYFNVGPE-MRXNPFEDSA-N 341.459 2.638 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)Nc2nnc3n2CCCC3)c1C1CC1 162473386 FWRSLTOOKDMJTL-LLVKDONJSA-N 328.420 2.912 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCCCO)C1 91893431 ZAFDIKWHVPZZAT-LJQANCHMSA-N 333.428 2.749 0 50 EFAA Cc1csc(CCCNC(=O)[C@H](c2ccc(F)cc2)N(C)C)n1 95353542 PZXUVDOWQYXJTD-INIZCTEOSA-N 335.448 2.942 0 50 EFAA CCOC(=O)[C@@H]1C[C@@H]2CC(=O)CC[C@H]2CN1C(=O)OC(C)(C)C 242614847 PKEFQSLNTJXAEE-OBJOEFQTSA-N 325.405 2.544 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)Cc1nc(-c2ccncc2)no1 244795294 RDKWQDRZOWDEIG-UHFFFAOYSA-N 340.387 2.804 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 299745428 ZAPVLLVYQUKQEK-NSHDSACASA-N 329.331 2.511 0 50 EFAA C[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)N(C)C1CCCCC1 299763358 ZQKHCOIDDAXULZ-LBPRGKRZSA-N 332.423 2.971 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 299758569 JPDSNFRAMLCIKQ-JTDSTZFVSA-N 349.858 2.903 0 50 EFAA CC(=O)N1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 584904393 BFRAASKCBXSFQW-WOJBJXKFSA-N 333.520 2.726 0 50 EFAA O=C(CN1CCCCC1=O)Nc1ccccc1CN1CCCCC1 828075059 DSIPWMXWMDXVPH-UHFFFAOYSA-N 329.444 2.624 0 50 EFAA CCCc1nc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cs1 952983488 GBDKXVOVZQFRNM-UHFFFAOYSA-N 330.373 2.653 0 50 EFAA CC[C@H]1C=CCN1Cc1ccc(OCCCN2CCOCC2)cc1 952988847 LLYFLEVEGFVXFR-IBGZPJMESA-N 330.472 2.938 0 50 EFAA COc1cccc(-c2ncc(CN[C@H](C)c3nncn3C)s2)c1 952971244 IFPQBKJXXPRWNJ-LLVKDONJSA-N 329.429 2.798 0 50 EFAA C[C@H]1CN(CCC(=O)N(C)Cc2ccccc2)CC[C@]1(O)C1CCC1 1565529997 BDJRIDSWMIONBX-LAUBAEHRSA-N 344.499 2.908 0 50 EFAA O=S(=O)(c1ccccc1)n1c(Cl)cc2c(Cl)ncnc21 77011173 BJPGOHDUNIUCSD-UHFFFAOYSA-N 328.180 2.975 0 50 EFAA in-vitro CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1Cn1ccnc1 408473765 UIFBLPXBVDFAPE-OALUTQOASA-N 341.455 2.999 0 50 EFAA O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CCCOC1 408519945 VMPBHLDONBRGHM-JSGCOSHPSA-N 331.334 2.672 0 50 EFAA CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1(C)C 222149071 MMJJUOCBCCWUEO-DAXOMENPSA-N 347.459 2.878 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 279517711 LNCSNNZIKIIQAL-LBTNJELSSA-N 348.443 2.671 0 50 EFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 279757317 DNDBCDFNQPPQDC-RTBURBONSA-N 343.471 2.784 0 50 EFAA CC(C)[C@H](NC(=O)c1cccc(C(=O)O)n1)c1nc2ccccc2[nH]1 170044104 IOUJPEXYFRSUDS-HNNXBMFYSA-N 338.367 2.783 0 50 EFAA O=C(Cc1c[nH]c2cc(F)ccc12)NCCc1cccc(C(=O)O)c1 170592304 JXMZQQIIBRCPDZ-UHFFFAOYSA-N 340.354 2.907 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H](CN2C[C@@H]3CCC[C@H](C2)C3O)C1 170629205 PJEFKHOMVRUXOE-PMRDEQMMSA-N 338.492 2.726 0 50 EFAA C[C@@H](C(=O)O)N(C)C(=O)/C=C/c1cc(Cl)ccc1OC(F)F 170675987 UCVJOIDKYLKOQD-HFSLJOEWSA-N 333.718 2.886 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)N3CCCCCC3)CC23CCOCC3)cn1 641763975 KYRVKNCWPSSFPF-KRWDZBQOSA-N 346.475 2.612 0 50 EFAA CCO[C@H]1C[C@@]2(NC(=O)N(C3CCC(C(F)F)CC3)C2=O)C1(C)C 642967170 MOVSVQAVVSPTPH-JMGNUAOXSA-N 344.402 2.936 0 50 EFAA Cc1oc(CNC(=O)c2cnc([C@@H]3CCCO3)s2)cc1C(=O)O 190926423 HWHOKQYAIKHXNT-NSHDSACASA-N 336.369 2.524 0 50 EFAA COc1cccc2c1CCN(Cc1ccc(-n3ccnc3)nc1)CC2 193710451 XJGXTXXAVXBBMK-UHFFFAOYSA-N 334.423 2.877 0 50 EFAA CC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2Cl)C1 652389859 KFGDGAVEULGGBN-YGRLFVJLSA-N 345.226 2.720 0 50 EFAA Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 195004448 NSLLKGGAWBZSNI-AWEZNQCLSA-N 349.456 2.882 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2c2nc(C)no2)c1 868319729 QQXPVFAGJVSQGP-OAHLLOKOSA-N 340.383 2.870 0 50 EFAA Cc1cccc([C@H](NC2CCN(Cc3ccco3)CC2)C(=O)O)c1 1506398198 XCEZFQLNNQFKQE-SFHVURJKSA-N 328.412 2.968 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2c2nnnn2-c2ccccc2)n1 1529167099 GHYRFZDRZRZTLM-ZDUSSCGKSA-N 325.376 2.510 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1csc(Br)c1 1857530762 ATUPWBSVDKCLGX-KXUCPTDWSA-N 344.230 2.690 0 50 EFAA COCCCN1C(=O)CC[C@@H]2CN(Cc3coc(C(C)C)n3)CC[C@@H]21 215288561 CLYHVVXELWGVRO-WBVHZDCISA-N 349.475 2.647 0 50 EFAA CCN1CCC[C@H]1CN1CCCN(C(=O)Cc2cccc(C)c2)CC1 1772809381 ABPIIWGPTDSZBN-FQEVSTJZSA-N 343.515 2.556 0 50 EFAA O=C1CO[C@@]2(CCN(Cc3sc4ccccc4c3Cl)C2)CN1 1772806084 SWYPBSJSOCCVBL-INIZCTEOSA-N 336.844 2.646 0 50 EFAA OCCN(Cc1ncc[nH]1)Cc1ccccc1OCc1ccccc1 1772707268 XIOFLJQKKBJHKF-UHFFFAOYSA-N 337.423 2.983 0 50 EFAA Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 5014319 RUNIQAKDZXKRAN-UHFFFAOYSA-N 343.330 2.828 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2CNCc2cc(OC)ccc2F)cn1 1857532885 NHRWWDCIZINHCI-ACJLOTCBSA-N 333.407 2.918 0 50 EFAA Cc1cc(C)c2c(CC(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)coc2c1 1857668029 GFTFSXSDISDIPQ-HYVNUMGLSA-N 343.423 2.590 0 50 EFAA COC(=O)CCCN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857740042 FKMHENKPUDQJCP-QZTJIDSGSA-N 347.455 2.687 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 242273443 YCSIPZFYSGKBII-MRVWCRGKSA-N 346.393 2.872 0 50 EFAA COC(=O)CC1(CC(=O)Nc2cccc3c2CN(C)C3=O)CCCC1 412538032 GRFDOMFCFLORGU-UHFFFAOYSA-N 344.411 2.724 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)NCCOc3ccc(Cl)cc3)C2)cn1 116412580 VSGVSFKBHGXYAW-ZDUSSCGKSA-N 348.834 2.651 0 50 EFAA CCC(CC)[C@H](C)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 330539316 QSQYFUBHOQBFFQ-NSHDSACASA-N 338.477 2.788 0 50 EFAA CC(C)c1ccccc1S(=O)(=O)N1CC[C@H](c2nccn2C)C1 332077211 GPULLGPSEOOEDZ-AWEZNQCLSA-N 333.457 2.722 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)nc1 237980076 XORIUVSCQNMUOO-DLOVCJGASA-N 342.317 2.958 0 50 EFAA Cc1cc2occ(CC(=O)N(CC(=O)O)C3CCOCC3)c2cc1C 237913409 XDOLACXHQWVVFT-UHFFFAOYSA-N 345.395 2.684 0 50 EFAA Cc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)nnn1C1CCNCC1 150717163 AHCUZBFOBLULRD-LLVKDONJSA-N 347.850 2.655 0 50 EFAA COCc1ccc(C(=O)N2CC[C@](O)(Cc3cccc(Cl)c3)C2)o1 371351716 GYTNLXNTYOMYFA-SFHVURJKSA-N 349.814 2.899 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC(n3cccn3)CC1)CO2 372110161 ZSINYYYGTCEJDX-KRWDZBQOSA-N 325.412 2.840 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)CC[S@](C)=O 266773580 SQGARLLEKIONFX-STFLBKPXSA-N 340.470 2.527 0 50 EFAA Cc1c(C[C@@H](CN)CO)cccc1-c1ccc([C@H]2CCC(=O)N2)cc1 906203732 DRHFFBVALHRIET-MGPUTAFESA-N 338.451 2.723 0 50 EFAA COc1nccc(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)n1 822911379 LHEMJBFLHPWUQT-ZDUSSCGKSA-N 333.338 2.611 0 50 EFAA CCOc1cc2c(cc1NC(=O)c1cnc3[nH]ncc3c1)O[C@H](C)C2 1123484296 QFBVREBBGIVZFF-SNVBAGLBSA-N 338.367 2.932 0 50 EFAA O=C(O)[C@H](c1ccsc1)N1CCC(OC[C@H]2CCCO2)CC1 846243222 DTHXDYGYBHNKOU-CABCVRRESA-N 325.430 2.534 0 50 EFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C(=O)O)C2 1875292013 TYSDOCQECNKEJA-CDHAZOANSA-N 333.432 2.926 0 50 EFAA C[C@@H]1CC[C@H](CO)N1C(=O)c1c[nH]c2ccc(Br)cc12 1875271108 UPBLOCVCYIXVGG-MWLCHTKSSA-N 337.217 2.916 0 50 EFAA Nc1cc(N2CC[C@H](Oc3ccccc3)C2)nc(C2CCOCC2)n1 1875294179 CMNNAZYXYJIKQI-INIZCTEOSA-N 340.427 2.611 0 50 EFAA O=C(c1cc(O)c2ccsc2c1)N1CCC2(CC1)C[C@@H](O)CCO2 886105518 BQYPUILYWYXXLM-ZDUSSCGKSA-N 347.436 2.753 0 50 EFAA O=C([C@H]1CC1(Cl)Cl)N1CC(c2nc(-c3ccccc3)no2)C1 886550877 URNKZVUTASAOJL-LLVKDONJSA-N 338.194 2.856 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(F)c1F 893938976 URUKBGBLLFBKSM-IGGJQXEISA-N 332.350 2.983 0 50 EFAA CCc1ncc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cn1 1775987187 KZKXKGOOHURUFN-GOSISDBHSA-N 348.410 2.942 0 50 EFAA CC[C@@H](NC(=O)N(C)C1CCN(C)CC1)c1ccc2c(c1)OCCO2 1775989432 ASZUYZCPFTYMBZ-MRXNPFEDSA-N 347.459 2.645 0 50 EFAA C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CCC=CN1C(=O)OC(C)(C)C 1775994237 ZCNPHMPNVHAHFQ-SOUVJXGZSA-N 338.448 2.662 0 50 EFAA Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1 111509 KIYHBSWBCQZPFD-UHFFFAOYSA-N 331.376 2.611 0 50 EFAA aggregator CN1CC[C@@H](O)[C@H](C(=O)N2CCC(CCCc3ccccc3)CC2)C1 2100537954 YONWVJOIQFYFSV-WOJBJXKFSA-N 344.499 2.561 0 50 EFAA Cc1ccn(-c2ccc(CNCc3cnc4n3CCOC4)c(C)c2)n1 2325774158 IFBHCCHEIZZLEX-UHFFFAOYSA-N 337.427 2.506 0 50 EFAA O=C(c1ccc(CO)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782282 KSALCLXUEAIODR-UHFFFAOYSA-N 346.814 2.911 0 50 EFAA COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1Br 319169 RUWSQORWAIYGOH-GFCCVEGCSA-N 328.206 2.767 0 50 EFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 466291 ILGGOCMYVBKUCP-ZIAGYGMSSA-N 333.771 2.885 0 50 EFAA COc1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 2166298 SIFBHIPNISTHHU-UHFFFAOYSA-N 347.367 2.982 0 50 EFAA biogenic,in-vitro Cc1cc(S(=O)(=O)N2CCN(C3CC3)C[C@@H]2C)c(C)cc1Cl 2356169683 VMHSIERJIYGYLI-ZDUSSCGKSA-N 342.892 2.814 0 50 EFAA CC[C@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 4870220 FSOZNPFCONLNMJ-NSHDSACASA-N 337.221 2.897 0 50 EFAA C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 6516706 WNCZPIMABVNLJT-RYUDHWBXSA-N 331.441 2.520 0 50 EFAA COc1ccc(NC(=O)CN2CCc3ccccc3C2)c(OC)c1 6561001 AIDQJTGMUOXNPX-UHFFFAOYSA-N 326.396 2.701 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc12 342542507 IVHOIYLPGSDGEF-VIFPVBQESA-N 345.834 2.928 0 50 EFAA COCCN(Cc1ccc(-c2nnn[nH]2)cc1)Cc1sccc1C 55168069 KZBFBHIYYMIPTO-UHFFFAOYSA-N 343.456 2.885 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2n1C 136575531 XZTQHOJWWXZPJQ-GFCCVEGCSA-N 348.406 2.949 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cc1 55374399 GWKOSVNUWISQIM-IAGOWNOFSA-N 336.501 2.880 0 50 EFAA CCOCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 111798430 VWCISIGXCVJXDG-CQSZACIVSA-N 339.867 2.765 0 50 EFAA O=C(CN1CCC[C@H]1Cn1cccn1)N1CCC[C@H]1c1ccsc1 247768603 MPFVGRUMYKZQCN-IRXDYDNUSA-N 344.484 2.773 0 50 EFAA COc1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1OC 247871453 DJAGKMAPZKQRAV-SJORKVTESA-N 346.471 2.832 0 50 EFAA c1ccc(Cc2cn(C3CCN(C4CCOCC4)CC3)nn2)cc1 20599805 YWLKPDHBNNZZAM-UHFFFAOYSA-N 326.444 2.685 0 50 EFAA O=C(c1cncc(O)c1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 348002850 KOXBZOWQEBRROD-SECBINFHSA-N 340.305 2.549 0 50 EFAA COc1cccc(-n2ccnc2-c2cnc(N3CCOCC3)s2)c1 67886102 VTVGWSINRKNPFR-UHFFFAOYSA-N 342.424 2.841 0 50 EFAA O=C(O)c1cn(C[C@H]2CCCN(c3nc4ccccc4s3)C2)nn1 67695318 OCDIHYSRHFPMAZ-NSHDSACASA-N 343.412 2.503 0 50 EFAA COc1cccc(CN2CCC(O)(c3ccc(C)cn3)CC2)c1OC 67784041 HXFPGEQNRMKSCV-UHFFFAOYSA-N 342.439 2.891 0 50 EFAA Cn1cc(CC(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cn1 253431194 ZNCYHISPWUNSQT-UHFFFAOYSA-N 329.425 2.744 0 50 EFAA O=C(c1cnccn1)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 67605952 WLORUXJAWSIQMZ-INIZCTEOSA-N 331.379 2.563 0 50 EFAA NCC1(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CCCC1 423793225 CMCDNIYIUCZPKM-LLVKDONJSA-N 344.381 2.654 0 50 EFAA O=C1C[C@@H](c2ccc3nonc3c2)c2cnn(Cc3ccccc3)c2N1 65507052 YYZCCIAIUUFGLD-AWEZNQCLSA-N 345.362 2.942 0 50 EFAA Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)cc1N1CCNC1=O 67982370 DUEIZTQPMAIHNI-AWEZNQCLSA-N 338.411 2.753 0 50 EFAA CCc1noc(CN(C)C2CCC3(CC2)CCN(C(C)=O)CC3)n1 67741150 NLOHFUQZRAZKKU-UHFFFAOYSA-N 334.464 2.635 0 50 EFAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CC(N(C)C)C1 281283916 DSCFVLNLBKWQOU-UHFFFAOYSA-N 333.823 2.612 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(=S)N(C(C)=O)[C@H]1c1ccccc1 2145135 OLVLGAXDYIKAHM-HNNXBMFYSA-N 332.425 2.644 0 50 EFAA O=C(c1cn(CC(=O)N2CCSCC2)c2ccccc12)C1CC1 216428951 XENJBQCECKJPSX-UHFFFAOYSA-N 328.437 2.809 0 50 EFAA CCn1ncc(Cl)c1CN(C)C(=O)c1noc2c1C[C@@H](C)CC2 2808053 HIFPBIOHMJOGKZ-JTQLQIEISA-N 336.823 2.941 0 50 EFAA Cc1cc(C)n([C@@H](C)C(=O)N2CCN(Cc3ccccc3C)CC2)n1 77286035 KIQPMLNJRVSLMS-SFHVURJKSA-N 340.471 2.714 0 50 EFAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc(Cl)cc1O 218968427 YGKCQTUVMGPOGM-GJZGRUSLSA-N 339.819 2.607 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)n1 77358695 ODZJETFXQWVWTQ-QGZVFWFLSA-N 339.439 2.957 0 50 EFAA C[C@H]1CC[C@@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328633326 SLYSYZUUCGXKDD-CAIZAGQASA-N 345.487 2.881 0 50 EFAA CCc1noc([C@@H](C)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328646957 SYMWSCHXXDHBGL-KMFMINBZSA-N 329.448 2.713 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 14210759 ZMYQDRJVDJPRQW-VIFPVBQESA-N 341.335 2.733 0 50 EFAA O=C1CCc2cc(C(=O)N3CC[C@@H](Cc4ccncc4)C3)ccc2N1 363710104 LGNFUXBHNCVZNG-HNNXBMFYSA-N 335.407 2.671 0 50 EFAA C[C@H](NC(=O)c1cccc(C(=O)O)n1)c1ncc(-c2ccccc2)o1 362536392 APWYSKAMIXGKQW-NSHDSACASA-N 337.335 2.926 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCO[C@H]21 365619387 LPSHEUJSOJEIIK-KBRIMQKVSA-N 343.427 2.896 0 50 EFAA CCc1ncc(S(=O)(=O)N2C[C@H](C)Oc3cc(C)ccc32)s1 332055796 NZBTVWZIQKKRLQ-NSHDSACASA-N 338.454 2.990 0 50 EFAA CC(C)c1ncc(CN2CCCN(Cc3ccccn3)CC2)cn1 215851366 VERQMGCSEOKOON-UHFFFAOYSA-N 325.460 2.703 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 282481299 VLDFRZJQQJKUGK-HDICACEKSA-N 338.455 2.668 0 50 EFAA CC(C)(N)C(=O)N1CCc2n[nH]c(-c3cccc4ccccc34)c2C1 71764813 PQJQYYPJONPXPS-UHFFFAOYSA-N 334.423 2.852 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282694238 XOCXYSUAFLPEDQ-DOTOQJQBSA-N 332.375 2.698 0 50 EFAA O=C1OCC2=C1[C@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCO3 13598769 BOVAFWYGUCKIPR-MRXNPFEDSA-N 325.295 2.923 0 50 EFAA O=C1NC[C@@]2(CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)O1 215043402 ZLTWHRORULWUPD-HNNXBMFYSA-N 342.317 2.810 0 50 EFAA Cn1cc(CCC(=O)N2c3ccccc3C[C@H]2C(N)=O)c2ccccc21 129393030 ZLZKZNKEBHKNSB-IBGZPJMESA-N 347.418 2.554 0 50 EFAA CCn1ccnc1CN1CCC(Oc2ccccc2F)(C(=O)O)CC1 72475742 MNHINQHFKMWXBW-UHFFFAOYSA-N 347.390 2.540 0 50 EFAA COCCN1CCC(CN(C)C(=O)c2ccc3[nH]ccc3c2)CC1 220756151 SZKXZBXAMIRWTG-UHFFFAOYSA-N 329.444 2.598 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(-c2ccccc2)nc1C 284991550 MSELNYAENPMZFS-IRXDYDNUSA-N 340.423 2.933 0 50 EFAA Cc1cc(=O)cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)o1 222671067 GXYCQQVWNMFOAI-GFCCVEGCSA-N 329.352 2.601 0 50 EFAA NCCc1nnc(SC[C@H]2CCCCO2)n1-c1ccc(F)cc1 426530790 JLXUPGJIQXWWBO-CQSZACIVSA-N 336.436 2.569 0 50 EFAA COCc1cc(CNC(=O)c2[nH]c3c(C)cc(C)cc3c2C)n[nH]1 92078526 WUJBNFPVXVZKAG-UHFFFAOYSA-N 326.400 2.893 0 50 EFAA Cc1ccccc1CC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 92080746 RFCBZGWNRLMFFV-NRFANRHFSA-N 340.467 2.789 0 50 EFAA Cc1cccnc1N1CCN([C@@H](C(=O)O)c2cccc(C)c2F)CC1 95512281 LNTLYINUPIIHDH-QGZVFWFLSA-N 343.402 2.785 0 50 EFAA CCCc1cc(N2CCC(NCCCn3ccnc3)CC2)nc(C)n1 95508616 BLKALOJKSGAEPL-UHFFFAOYSA-N 342.491 2.583 0 50 EFAA COc1ccccc1[C@@H]1CN(Cc2csc(C)n2)C[C@H]1C(=O)O 91486954 KILPXRDXCWAKKW-LSDHHAIUSA-N 332.425 2.760 0 50 EFAA COc1ccc(-c2cc(-c3nc(-c4ccc(C)nn4)no3)[nH]n2)cc1 91663525 JJQUULMNUBVYIY-UHFFFAOYSA-N 334.339 2.901 0 50 EFAA Nc1ccc(N2CCC(N3CCOCC3)CC2)c(C(F)(F)F)c1 140339568 OADUERAJSSMZRO-UHFFFAOYSA-N 329.366 2.589 0 50 EFAA COc1ccccc1-n1cc(C(=O)NCCCc2ccccn2)cn1 91665698 FXJVITRZJGRDHH-UHFFFAOYSA-N 336.395 2.639 0 50 EFAA O=c1[nH]cccc1-c1nc(C2CCOCC2)nn1Cc1ccccc1 96152075 NYCFNNSZXBFEIF-UHFFFAOYSA-N 336.395 2.576 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 237997390 WKXOZRWJWACSQW-MRXNPFEDSA-N 329.327 2.738 0 50 EFAA O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@@H]1C[C@H]2C=C[C@H]1C2 162905028 WRINPBFTOLIMOX-KCQAQPDRSA-N 339.395 2.815 0 50 EFAA CCCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)no1 91819620 DPUYLTLCKYCNKN-HZPDHXFCSA-N 331.460 2.964 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 181570141 IMXWGZSOGYRSHX-MSOLQXFVSA-N 344.455 2.614 0 50 EFAA CN(C)[C@@H]1CCCN(CCC(=O)NCc2cccc(Cl)c2)CC1 244659882 HKKLJAHJVKUSHS-QGZVFWFLSA-N 337.895 2.762 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@H]1c1nc2c(C)cccc2[nH]1 244659622 HGANFSGFCPUJHB-HNNXBMFYSA-N 337.427 2.994 0 50 EFAA O=C(CCc1ccc(F)c(F)c1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244723596 MEGNDYDEPDVVFG-BIENJYKASA-N 346.377 2.921 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1 253408908 LEXFSZZAGBNIPR-RTBURBONSA-N 325.456 2.872 0 50 EFAA COc1cccc(-c2cnc(N)cn2)c1C(=O)N(C(C)C)C(C)C 32590214 OJGRUDXYLAOWTP-UHFFFAOYSA-N 328.416 2.993 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cc(C(C)(C)C)n[nH]1 299794440 KJQDTOQNBCJKKN-NSHDSACASA-N 345.399 2.520 0 50 EFAA COc1cccc(N2CCN(Cc3ccc(CO)o3)CC2(C)C)c1 670438218 ZOZIJONASHRVMW-UHFFFAOYSA-N 330.428 2.881 0 50 EFAA O=C(CO[C@H]1CCOC1)Nc1nc2ccc3scnc3c2s1 1334043271 PAVXUHOPNBMAPQ-QMMMGPOBSA-N 335.410 2.650 0 50 EFAA CCN(Cc1ccc(SC)cc1)C(=O)CCC1=NNC(=O)CC1 952867547 OQUOJPYPVBUUEQ-UHFFFAOYSA-N 333.457 2.803 0 50 EFAA Cc1cc(N)n(CC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)n1 952962531 GAIRPMQATSPJED-JTQLQIEISA-N 326.322 2.670 0 50 EFAA Cn1nnc(-c2ccc(C(=O)Nc3cccc(-c4cnc[nH]4)c3)cc2)n1 952969613 GIDXVJMZUBPRLU-UHFFFAOYSA-N 345.366 2.520 0 50 EFAA C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)O1 170058561 RQPJCVCLGYKMNL-BPLDGKMQSA-N 326.400 2.703 0 50 EFAA CCO[C@@H](C)c1noc(C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)n1 221825398 AJPWQELETJHPMU-BZTBVMLOSA-N 333.432 2.894 0 50 EFAA O=C(NC1(CO)CCOCC1)c1[nH]c2ccc(Cl)cc2c1Cl 272374547 CPDAEFMVGQXXKN-UHFFFAOYSA-N 343.210 2.746 0 50 EFAA CCCOc1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)c(C)c1 170609864 DGMGIUMRIXCEAD-HNNXBMFYSA-N 327.428 2.859 0 50 EFAA C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H](C)N(C)CC(F)(F)F 170614676 GEERRDUNOJAMJI-VXGBXAGGSA-N 332.366 2.712 0 50 EFAA COCCC1(CN2CCN(C(=O)c3ccncc3)CC2)CCCCC1 170602974 HGKXODZQJHWWNE-UHFFFAOYSA-N 345.487 2.826 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc3nccn23)C1 190489942 FOWVAFWUUHENBN-GOSISDBHSA-N 335.455 2.683 0 50 EFAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCCS1 193219819 CZVYNMKDRIUAHC-INIZCTEOSA-N 336.526 2.616 0 50 EFAA C[C@H](NS(=O)(=O)c1c[nH]c2cccc(F)c12)c1nccs1 195228719 WIXBSRNFOQWBPS-QMMMGPOBSA-N 325.390 2.803 0 50 EFAA COc1cc(NC2CCN([C@@H]3CCOC3)CC2)cc2cccnc12 656259853 DHYDSSFMOSRKGI-QGZVFWFLSA-N 327.428 2.909 0 50 EFAA CC1=C(C(=O)N2CCC(c3nc4ccccc4n3C)CC2)OCCO1 1506416822 MNARSNWMKOWOSM-UHFFFAOYSA-N 341.411 2.558 0 50 EFAA CN1CCCC2(CC1)CCN(C(=O)/C=C/c1cc(CO)cs1)CC2 1506402668 ZUTLMUVGXNADPG-ONEGZZNKSA-N 348.512 2.978 0 50 EFAA CC(C)S(=O)(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704336080 GAXJGYKZWDRMQS-UHFFFAOYSA-N 348.468 2.770 0 50 EFAA Cc1cc(NCc2ccc(C(=O)N(C)C)o2)nc(N2CCCCC2)n1 1704338424 UPPBKDZTRGFEDA-UHFFFAOYSA-N 343.431 2.682 0 50 EFAA COc1ccccc1OCCN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775981156 ANWLPWZTNKDNSD-MRXNPFEDSA-N 334.460 2.653 0 50 EFAA C[C@H](NC(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C)c1ccc(Cl)cc1 1772701544 NGGVJUZMJWCBKQ-YWPYICTPSA-N 335.835 2.806 0 50 EFAA CN1CCOC2(CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 1772807502 OGJFAXSOMHGXJB-UHFFFAOYSA-N 342.361 2.642 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C1CCN(c2ccc(F)c(F)c2)CC1 1772711312 HHHZJTWNQJZZJN-CJNGLKHVSA-N 349.425 2.629 0 50 EFAA c1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)ccn1 11753378 JSIALFIYUILRSW-QGZVFWFLSA-N 325.412 2.929 0 50 EFAA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(C)CC1 13331684 LOLHELKIDNJWSN-ZDUSSCGKSA-N 331.243 2.925 0 50 EFAA COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@@H]3C4(C[C@@]2(C)[C@@]31C)OCCO4 17729355 FWIFBGVWIAMUTB-MDVLYUJXSA-N 343.423 2.861 0 50 EFAA CCOc1ccc([C@H](C)N(C)C(=O)c2nnc3n2CCCC3)cc1 19790717 FJHSQHNOSPWGGB-ZDUSSCGKSA-N 328.416 2.846 0 50 EFAA CN(C)C(=O)c1cc(-n2ccnc2-c2cc[nH]c(=N)c2)ccc1Cl 1857679701 QZJKHNGPGHHUBU-UHFFFAOYSA-N 341.802 2.702 0 50 EFAA Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c(F)cccc32)cc1C 225579839 LFKMCFZDRZMABD-UHFFFAOYSA-N 334.372 2.590 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 238121095 FDDMHNPVORKETL-GOSISDBHSA-N 338.407 2.666 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)c3ccncc3F)C2=O)c(C)c1 239761690 CKEQYVSDILSUTD-MRXNPFEDSA-N 341.386 2.681 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 136129727 FIQFHCPMGACAIN-LBPRGKRZSA-N 329.318 2.961 0 50 EFAA C[C@H](CCc1ccc(O)cc1)NC(=O)c1cnc(C2OCCO2)s1 252485592 GZOQUGCCBNELLZ-LLVKDONJSA-N 348.424 2.645 0 50 EFAA O=C(c1nccc2ccccc12)N1CC[C@](C(=O)O)(C(F)(F)F)C1 261634539 HQVILWGVXGEEDX-HNNXBMFYSA-N 338.285 2.714 0 50 EFAA CS(=O)(=O)c1ccc(NCCNC2CCCCCC2)c(F)c1 262488286 KRXFGZILYMVQMC-UHFFFAOYSA-N 328.453 2.954 0 50 EFAA CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccnn1C 390835284 JEFWPGONOAFZLU-UHFFFAOYSA-N 326.169 2.594 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1C 391842173 YGTANIDMCSBLMR-UHFFFAOYSA-N 349.408 2.822 0 50 EFAA CCn1cnc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 902572002 RARUFQYEWCVJFC-CQSZACIVSA-N 327.432 2.674 0 50 EFAA CCn1nc(C2CC2)cc1C(=O)N1CC(=O)Nc2c(F)cccc21 904326426 JLKYFPUDWNNHGE-UHFFFAOYSA-N 328.347 2.518 0 50 EFAA Cc1ccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c(Cl)c1 908985380 WTICCDWJOXACEQ-LBPRGKRZSA-N 325.792 2.744 0 50 EFAA Cc1ccc(F)c(CN(C)C(=O)c2ccc3c(c2)C(=O)NCCO3)c1 935669284 IAIPFXVGJBWUAQ-UHFFFAOYSA-N 342.370 2.529 0 50 EFAA O=C(O)[C@@H](CN[C@H]1CCc2cc(F)c(F)c(F)c21)C1CCOCC1 863744863 JVXZRLCWWHNCMS-AAEUAGOBSA-N 343.345 2.808 0 50 EFAA O=S(=O)(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn[nH]c1 1875258142 BHKIKEVWWVUDDK-NSHDSACASA-N 332.212 2.682 0 50 EFAA Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CC(=O)O 1875266785 PGDKTBBVELHRLS-IUODEOHRSA-N 343.420 2.587 0 50 EFAA Nc1cnc(C(=O)N2CCCC[C@@H]2Cc2cc(F)ccc2F)cn1 1875278037 UTGBCWCWFOASIK-CYBMUJFWSA-N 332.354 2.574 0 50 EFAA COc1ccc(C[C@@H](C)NC(=O)c2ccn3cccnc23)cc1OC 1875323704 PSOPINBBIHHGMQ-CYBMUJFWSA-N 339.395 2.713 0 50 EFAA N=c1[nH]c2c(NC[C@@H](c3cccs3)N3CCCC3)ncnc2s1 1875305520 VJEUDPPPYXGAOF-JTQLQIEISA-N 346.485 2.809 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(C4CCCC4)CC3)n[nH]c21 1875393692 LIJGTJMTJDYMSV-KGLIPLIRSA-N 346.475 2.522 0 50 EFAA Cc1nsc(N2CCCN(Cc3cnn(CC4CCC4)c3)CC2)n1 892127730 RURGNNMYYTUBSP-UHFFFAOYSA-N 346.504 2.555 0 50 EFAA Cc1n[nH]cc1CCCN=c1[nH]ccc2c(Br)cncc12 2325780498 MHRDTBVJQJLMDD-UHFFFAOYSA-N 346.232 2.890 0 50 EFAA CN(C(=O)Cc1ccc2[nH]ccc2c1)[C@H]1CCN(c2ccncc2)C1 2325798014 HCFYIEZKSDQIAM-SFHVURJKSA-N 334.423 2.843 0 50 EFAA O=C(O)[C@@H]1CCC2(CCC2)N(Cc2nccn2CC(F)(F)F)C1 2325798337 OOLTZLPWUFSEKG-LLVKDONJSA-N 331.338 2.665 0 50 EFAA O=S1(=O)Cc2ccccc2[C@H](Nc2ncc3ccccc3n2)C1 2325865526 GMOCNYQXZRYRLX-MRXNPFEDSA-N 325.393 2.711 0 50 EFAA C[C@](O)(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccsc1 110614908 IUUBTUYJZUYMMY-LXZKKBNFSA-N 334.416 2.950 0 50 EFAA CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 144618 KJJCFGQWSZWPHI-GHMZBOCLSA-N 334.441 2.925 0 50 EFAA CCOc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1OCC 1428099 LUXWMMXGLNLYGL-UHFFFAOYSA-N 340.379 2.718 0 50 EFAA CCc1ccc(O[C@@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 1460488 STGJQSNAOHACSI-MEDUHNTESA-N 326.343 2.578 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 110665325 YCUIMVLIRQESNB-WMLDXEAASA-N 327.403 2.861 0 50 EFAA CCCN(C/C=C/c1ccccc1)C(=O)C(=O)Nc1cc(C)on1 55405286 JNLCUQLTLJSAGF-JXMROGBWSA-N 327.384 2.874 0 50 EFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1 55376796 TUWUVRPEFQZLAD-UHFFFAOYSA-N 328.865 2.589 0 50 EFAA Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2-c2nnn[nH]2)c1 55107951 XHFUQDJBXFQQPC-CYBMUJFWSA-N 337.383 2.890 0 50 EFAA O=C(Nc1nc(CN2CCCCC2)cs1)[C@@H]1CCCc2[nH]ncc21 134709529 JIIRKYUNHKVRFG-CYBMUJFWSA-N 345.472 2.911 0 50 EFAA Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248003415 GISAJTDCURBFTB-ZRXSREQCSA-N 334.416 2.778 0 50 EFAA CC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCCc1ccncc1 63845442 BNVGUZGXRJXJPY-GOSISDBHSA-N 349.438 2.820 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCCN(c2cccnc2)C1=O 136909146 KZKDJFFFLUEKPQ-HNAYVOBHSA-N 339.439 2.894 0 50 EFAA Cc1c(Cl)cccc1NC(=O)Cn1ncc2ccccc2c1=O 61111380 CQAOHRYONYZRNJ-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CCC(CC)c1noc([C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)n1 351443517 QIDDTACNYSKFBN-IUODEOHRSA-N 331.420 2.784 0 50 EFAA Cn1ccc2c(NC(=O)Cn3cnc4ccccc4c3=O)cccc21 62001521 SDNXSGWCVQDRNT-UHFFFAOYSA-N 332.363 2.527 0 50 EFAA biogenic Nc1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)n1 67695370 GLRNOSUZXAMEFE-UHFFFAOYSA-N 326.444 2.661 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)c1cnc(-c2cccnc2)nc1 65384014 NCXOPGNROAOVAX-NSHDSACASA-N 325.397 2.828 0 50 EFAA CC(C)c1cc(C(=O)NCC[C@@H]2COc3ccccc3O2)n(C)n1 65454318 QHHRNWAMZKHIOO-CYBMUJFWSA-N 329.400 2.503 0 50 EFAA CN(CCc1ccc(Cl)cc1)C(=O)CS(=O)(=O)C1CCCC1 172008138 CMZGJQZOBGDAAB-UHFFFAOYSA-N 343.876 2.698 0 50 EFAA O=C(CCNC(=O)c1cccc(-c2ncc[nH]2)c1)NC1CCCCC1 216405527 SGVGXPBEGXVHOA-UHFFFAOYSA-N 340.427 2.646 0 50 EFAA CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)CCn1c(=O)oc2ccccc21 230139369 ZLMLEKFZAAPSPM-JCURWCKSSA-N 345.395 2.731 0 50 EFAA Cc1ccc(O)c(C(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)c1 72163017 IQRPSXQWELFVJQ-HXUWFJFHSA-N 336.391 2.827 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)OC1=O 72120823 WOTLNMLHNAJQOG-SFHVURJKSA-N 345.374 2.754 0 50 EFAA CCc1nnc(SC[C@H]2CN(Cc3ccccc3)CCCO2)[nH]1 253416113 PGFVKXXJQZKHEJ-OAHLLOKOSA-N 332.473 2.750 0 50 EFAA Cc1c(N)ncn(Cc2nc(-c3c(F)cccc3F)cs2)c1=O 328593842 RBQBOYNYIWYPHP-UHFFFAOYSA-N 334.351 2.584 0 50 EFAA CN(C)c1noc(CNC2(c3ccccc3Br)CC2)n1 328589267 GJCOMJOQZOZRBT-UHFFFAOYSA-N 337.221 2.677 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)N2CCCc3n[nH]cc32)c2ccccc21 363853882 DPPLOFSIERDRLP-CQSZACIVSA-N 338.411 2.619 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC[C@H]2Cn2ccnc2C)n1 368319957 VWALDRKIBYRWOJ-LBPRGKRZSA-N 325.338 2.978 0 50 EFAA CC[C@@H]1CN(C(=O)c2cc(C)on2)CCC(=O)N1Cc1ccccc1 71755213 SLMNVVOSLHOPGM-MRXNPFEDSA-N 341.411 2.636 0 50 EFAA Cc1nc(-c2cccc(NC(=O)Cc3c[nH]c4ncccc34)c2)n[nH]1 156487528 BYDQMEBKCWOCRE-UHFFFAOYSA-N 332.367 2.838 0 50 EFAA Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)o1 172757516 AACZCIWBBZJWOM-CYBMUJFWSA-N 349.387 2.584 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)cc2)n1 262218180 MGSSZQYUMPOHQB-HNNXBMFYSA-N 341.411 2.898 0 50 EFAA NC(=O)c1cccc2c1CCCN2Cc1cncn1Cc1ccccc1 445820178 RRUCMPACDRQXGT-UHFFFAOYSA-N 346.434 2.983 0 50 EFAA CN(C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-n2cccn2)c1 77377582 KMUHBHZDGGEVJR-WOJBJXKFSA-N 346.434 2.830 0 50 EFAA CC(C)CN1CCN(Cc2ccccc2OC(F)F)[C@H](C)C1=O 77406386 OSWOUEMKVPXTRR-CYBMUJFWSA-N 326.387 2.977 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N1CCc2ncccc2C1 77407973 FUCVRGZXXCPKSZ-UHFFFAOYSA-N 334.379 2.649 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)CCc1ccc(Br)cc1F 238063700 UAPFPIGBHBADAM-LBPRGKRZSA-N 344.180 2.596 0 50 EFAA O=C(O)CN(C(=O)c1cc2cc(Cl)ccc2o1)C1CCOCC1 238112511 IZBLDMSXTVCBGX-UHFFFAOYSA-N 337.759 2.792 0 50 EFAA O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CCN(c2ncccn2)CC1 241969514 UWXPWQCZFFLDLX-BRWVUGGUSA-N 328.460 2.732 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cccc(CCO)c2)c1 456909413 FEMJRUWCIAHWAB-CQSZACIVSA-N 327.380 2.830 0 50 EFAA C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1noc2c1CCCC2 287979119 JFOIGBARHBPOAV-SUMWQHHRSA-N 343.427 2.865 0 50 EFAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 178678419 HCGOSHKFEFNGOF-CYBMUJFWSA-N 340.427 2.902 0 50 EFAA CC(C)[C@@H]1NCC[C@@H]1C(=O)NCC(=O)Nc1cccc2ccccc12 290016280 QSUXFKHGXSPLJA-LPHOPBHVSA-N 339.439 2.529 0 50 EFAA Cn1c(SCc2noc(C3CCCC3)n2)nnc1C1CCNCC1 426640576 WAIIXDRAWYALAI-UHFFFAOYSA-N 348.476 2.615 0 50 EFAA CCN1CC[C@H](CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)C1 426535908 PSCYTNXMAKHQCQ-OAHLLOKOSA-N 342.443 2.825 0 50 EFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1cccc3cc[nH]c13)CC2 426474117 FVHHUUWAZYSTFC-WSTZPKSXSA-N 344.455 2.689 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCCc1ccc(F)cc1)CC2 426427960 KRQIUOPCFPTLGD-JENIJYKNSA-N 335.419 2.679 0 50 EFAA O=C(NC[C@H]1COc2ccccc2C1)c1cc(-c2ccc(O)cc2)n[nH]1 97698719 BBURLLLERRAQJR-ZDUSSCGKSA-N 349.390 2.763 0 50 EFAA CCc1nnc(CNC(=O)CN2CCC[C@@H](c3ccccc3)C2)s1 95520130 VFXGJJQWUCPVBH-OAHLLOKOSA-N 344.484 2.596 0 50 EFAA COCCCN1CC2(CCC1=O)CCN(Cc1ccsc1)CC2 91602667 DASOMBLOGVJMQC-UHFFFAOYSA-N 336.501 2.989 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)[nH]n2)cc1 95501079 OGGACTPAJPWRTA-GOSISDBHSA-N 349.390 2.811 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1 237373693 JNHCIZLFIQIBDY-MRXNPFEDSA-N 326.352 2.766 0 50 EFAA O=C(CCn1cc(Cl)cn1)N1CCC(OCc2cccnc2)CC1 91987771 CJGOCHZLIIRXOS-UHFFFAOYSA-N 348.834 2.529 0 50 EFAA Cc1nc(N2CCC(Oc3cccnc3)CC2)c2nc(C)oc2n1 91818178 NGDBWRXQBOASTC-UHFFFAOYSA-N 325.372 2.677 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 180101505 IIPHULHUFPXLEF-QAPCUYQASA-N 347.361 2.816 0 50 EFAA COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)[nH]1 293837056 AWKQLEHNGAJRFW-NSHDSACASA-N 346.383 2.618 0 50 EFAA CN(C)[C@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccc(F)cc1 95376710 QZMBXLZIWLHYIJ-SFHVURJKSA-N 346.377 2.857 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2nc3ccccn3c2F)n1 91690717 JZKLKTLMKWKAAN-NSHDSACASA-N 343.362 2.957 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc(C(C)C)on1)C2 91382264 TZZBNFRWJZJZOT-GFCCVEGCSA-N 330.384 2.788 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c(C)o1 181317027 QUNGGEWXKCEHTI-YJBOKZPZSA-N 345.420 2.605 0 50 EFAA COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 97681798 JYKXUDNSHXUIEY-QWHCGFSZSA-N 339.819 2.816 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)NCCCc1nnc2ccccn12 91519147 ZNDXQYBKWXXYAE-UHFFFAOYSA-N 343.456 2.980 0 50 EFAA COc1ccc([C@H](C(=O)O)N2CCC(Cn3cccn3)CC2)cc1F 95374007 BRPBYVKLBNMMJT-QGZVFWFLSA-N 347.390 2.569 0 50 EFAA CCN1C[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CCC1=O 91254217 SVDARCSWAUGOSM-GOSISDBHSA-N 342.483 2.945 0 50 EFAA COCc1noc([C@H](C)N(C)CCOc2cccc(Cl)c2)n1 181500359 MROWGFMVWJCOOK-NSHDSACASA-N 325.796 2.941 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299745332 YBQAZGWPDOGCAU-IIVZCXTMSA-N 342.439 2.682 0 50 EFAA O=C(O)CCN(C(=O)[C@@H]1CCCc2ccccc21)C1CCOCC1 299746882 BNKWXIJDZXNLDP-QGZVFWFLSA-N 331.412 2.589 0 50 EFAA O=C(Nc1ccccc1O)c1ncn(-c2ccc(OC(F)F)cc2)n1 261490641 ROJYDSWZRMIQJS-UHFFFAOYSA-N 346.293 2.827 0 50 EFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2ccnn2C)cc1 824668755 PBQZOIBJMYCJQG-UHFFFAOYSA-N 336.395 2.666 0 50 EFAA CC1(C)CC[C@H](CO)N(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 685944857 DPNPCCZOSSURIC-OAGGEKHMSA-N 345.439 2.571 0 50 EFAA C[C@@H]1CC2(CCOCC2)CN1C(=O)NCC(C)(C)C1=CCOCC1 1355904671 SXTZKUCRZLXIRJ-OAHLLOKOSA-N 336.476 2.960 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2cc(CC(C)C)nn2C)c(C)c1 952983384 LKNRPRVXIGPIQZ-UHFFFAOYSA-N 328.416 2.539 0 50 EFAA O=C(CCSc1nnc(-c2ccncc2)o1)N[C@H]1C=CCCC1 952990119 GEBHUKVURYDESG-ZDUSSCGKSA-N 330.413 2.839 0 50 EFAA Cn1c([C@@H]2CCCN2Cc2cccc(C(N)=O)c2)nc2c1CCCC2 275515283 KRYAPYTXONGSAP-SFHVURJKSA-N 338.455 2.735 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 165491882 UETYWZJQYXEFBS-HNNXBMFYSA-N 340.379 2.597 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 189206629 XAIWPJQGMDHJQJ-UHFFFAOYSA-N 327.363 2.841 0 50 EFAA Cn1ccc2cccc(NC(=O)N3CCNC(=O)[C@H]3c3ccccc3)c21 190024885 IMZSJAOPAKZMGW-GOSISDBHSA-N 348.406 2.883 0 50 EFAA C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1 190861741 ASVLYPJAVALKFP-CQSZACIVSA-N 326.400 2.801 0 50 EFAA Cc1noc(CN2CCCC[C@@H](NC/C=C/c3ccccc3)C2=O)n1 643736577 HOVCKNFUUYYFLI-PYUISTEWSA-N 340.427 2.562 0 50 EFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1coc2cc(C)c(C)cc12 643853905 NMNRZKAHLSXBHR-GOSISDBHSA-N 331.368 2.755 0 50 EFAA C[C@H](NC(=O)C1(C(=O)O)CCC1)c1nc2ccccc2n1C(F)F 663113021 RIAYVCLWMYIZER-VIFPVBQESA-N 337.326 2.864 0 50 EFAA CC(C)Oc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1615963358 KPFUCJASTONHFJ-HKUYNNGSSA-N 340.423 2.856 0 50 EFAA Cc1nc2ncccn2c1C(=O)N(C)Cc1cc(-c2ccccc2)no1 1506400704 OMIIMMYPLZDJFK-UHFFFAOYSA-N 347.378 2.965 0 50 EFAA Cc1cccc(N2CCC(NCc3cccc(C(=O)O)n3)CC2)c1 1506430552 XKHUUCVIASHTCX-UHFFFAOYSA-N 325.412 2.847 0 50 EFAA Cc1noc(-c2ccnc(N(C)CCCc3c(C)n[nH]c3C)c2)n1 1529180692 IQVYEWFHXIKQTE-UHFFFAOYSA-N 326.404 2.849 0 50 EFAA Cc1ccc2c(c1)cc(CN1C[C@@H](O)[C@H](Cc3cc(C)no3)C1)n2C 1529113371 XPZXAQAEIDMUQI-OXQOHEQNSA-N 339.439 2.819 0 50 EFAA O=C(CNC(=O)c1ccc(Br)cc1)NC1CCCCC1 4837757 UAXCQGFIKPTLTR-UHFFFAOYSA-N 339.233 2.628 0 50 EFAA O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1nccs1 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346.880 2.610 0 50 EFAA CCCn1ncnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 225727118 ISMPDXZFMULWMF-NSHDSACASA-N 342.369 2.810 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)c1cccnc1 112854610 NSGHOSAXSRWABL-MAUKXSAKSA-N 337.423 2.954 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)[C@H]2CCC(F)(F)C2)c1 328589411 RCBJDIQIHUCXCK-YDHLFZDLSA-N 325.355 2.765 0 50 EFAA Cc1cscc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328614258 ADQFNXGJXSNGGV-WMLDXEAASA-N 346.500 2.945 0 50 EFAA CCc1cc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)n2ncnc2n1 645058432 YKOZROHRIQTYPL-OAHLLOKOSA-N 343.818 2.998 0 50 EFAA CCC[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)O 236967104 FLIUHGGJJQNHQF-AWEZNQCLSA-N 339.819 2.758 0 50 EFAA Cc1c(Cl)cncc1NC(=O)NC[C@@H]1CCCN1CC(F)F 931580438 NTWREGCCXSFEJE-JTQLQIEISA-N 332.782 2.894 0 50 EFAA O=C(O)c1cc(S(=O)(=O)N[C@H](CC2CC2)c2ccccc2)c[nH]1 833302415 AZXMJVKALOLGID-CQSZACIVSA-N 334.397 2.533 0 50 EFAA CCc1nc2c(C(=O)N3CCOC[C@@H]3c3ccc(C)o3)ccnc2[nH]1 933039257 AYNZIANUHYHUAD-CYBMUJFWSA-N 340.383 2.635 0 50 EFAA c1ccc(-n2nncc2CNc2ccc(N3CCOCC3)cc2)cc1 845914372 XFGKXEGXFGKWLD-UHFFFAOYSA-N 335.411 2.716 0 50 EFAA COc1cc(C)ccc1C(=O)N[C@H]1CC[C@@H](Cc2nnc(C)o2)C1 952890864 KWQPAAVNKQDYNJ-KGLIPLIRSA-N 329.400 2.836 0 50 EFAA CCc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)oc1CC 952852527 DYNZNKMSHBGSCQ-CHWSQXEVSA-N 333.388 2.698 0 50 EFAA CCOc1ccccc1CCNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875289231 ZPONGLCUJAHWPA-QWHCGFSZSA-N 343.427 2.803 0 50 EFAA C=CC(=O)N(Cc1cccn1C(F)F)c1ccc2c(c1)CCNC2=O 1875388535 FSSDBSZOHCHDNN-UHFFFAOYSA-N 345.349 2.888 0 50 EFAA Cn1c(=NCc2cccc(P(C)(C)=O)c2)[nH]c2c(F)cccc21 1875317147 PGUNCSCMOBHIFK-UHFFFAOYSA-N 331.331 2.994 0 50 EFAA CN(C)C(=O)c1ccc(CNC(=O)c2n[nH]cc2-c2ccccc2)cc1 1875358643 DBOSQDCZAZTPGR-UHFFFAOYSA-N 348.406 2.709 0 50 EFAA CC(C)[C@H](C(=O)N1CCC(CO)(C(F)(F)F)CC1)c1cccnc1 885006440 VOPAGUYEBDBOLB-AWEZNQCLSA-N 344.377 2.985 0 50 EFAA Cc1ccccc1[C@H](CO)N(C)Cc1nc(O)c2sccc2n1 886435727 HLKDFXIDUJZYLB-AWEZNQCLSA-N 329.425 2.871 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1NC(=O)CC(C)(C)c1ccc(F)cc1 886732198 XYFDXUFBBWAQAX-MRXNPFEDSA-N 334.435 2.914 0 50 EFAA Cc1cc(C)cc(C2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)c1 891291404 PEKAAQQZWVJTNV-KRWDZBQOSA-N 329.444 2.553 0 50 EFAA O=C1C[C@]2(NC(=O)Cc3csc(C4CCCC4)n3)CCCC[C@@H]2N1 891280615 PURZHEWBSZIFAO-KBXCAEBGSA-N 347.484 2.661 0 50 EFAA O=C(O)c1cccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)n1 262646608 RBMJCYGDNUNLQF-HNNXBMFYSA-N 340.379 2.601 0 50 EFAA COc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1OC 39179 BTPFLWWRYZOWPQ-LLVKDONJSA-N 327.336 2.907 0 50 EFAA CCOC(=O)c1c(NC(C)=O)sc(C(=O)NC2CCCC2)c1C 203947 NCJJXUPPJBYMDQ-UHFFFAOYSA-N 338.429 2.864 0 50 EFAA Cn1nnc2c1CC[C@@H](NCc1cccc(Oc3ccccn3)c1)C2 922226970 RYNKESJIDPXCIW-OAHLLOKOSA-N 335.411 2.650 0 50 EFAA Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 312154 IJDCUXXGYVMBNW-UHFFFAOYSA-N 344.484 2.947 0 50 EFAA O=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 313268 MGPAZXISZRGLIT-UHFFFAOYSA-N 335.201 2.839 0 50 EFAA COc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)o1 428209 YFMMDKHCCOIICO-UHFFFAOYSA-N 348.409 2.933 0 50 EFAA CCc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 469001 GUTNVHYSENHAFW-UHFFFAOYSA-N 346.452 2.962 0 50 EFAA O=C(CCC(=O)N[C@@H]1CCC[C@@H](CO)C1)Nc1ccc2c(c1)CCC2 2356145670 HITGBISGTXFLTJ-RHSMWYFYSA-N 344.455 2.561 0 50 EFAA Cc1nc(C)c(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2)C3)o1 2356146411 DYDMMRCECKOKNV-LBPRGKRZSA-N 337.383 2.653 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnc(C(C)C)nc2)C1=O 2356148261 ODHCCLWGLXZADL-IBGZPJMESA-N 344.459 2.607 0 50 EFAA CCCCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C 8714670 UXXOPIPVEIEISS-CQSZACIVSA-N 327.446 2.631 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225489286 SPIUGZIVUCMKLC-RDTXWAMCSA-N 337.354 2.717 0 50 EFAA CC(C)(C)c1ncc(NC(=O)N2CCO[C@H](c3nccs3)C2)cn1 111740027 HRPLWGBFUBCDIA-LBPRGKRZSA-N 347.444 2.836 0 50 EFAA CCOc1c(Cl)cc(CNCCN2CCOCC2)cc1Cl 20175463 FKNNTBTXZIWTKB-UHFFFAOYSA-N 333.259 2.814 0 50 EFAA OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCCC1 22932555 GSLCEGXHATUZHB-GOSISDBHSA-N 346.471 2.617 0 50 EFAA CC[C@@]1(O)CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67489828 VBJYOUKIUSYDCU-GOSISDBHSA-N 347.390 2.505 0 50 EFAA Cc1cccc(C)c1OCCCN(C)C(=O)C(=O)c1cccn1C 55327283 UNVDGLAKIULJIM-UHFFFAOYSA-N 328.412 2.752 0 50 EFAA CCn1cnc(NC(=O)N(C)Cc2ccc(OC)c3ncccc23)n1 20541817 DODZKJWHZXEVHS-UHFFFAOYSA-N 340.387 2.519 0 50 EFAA CCC[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 67601854 BQHOPRPHQYQGLQ-JTQLQIEISA-N 332.853 2.654 0 50 EFAA CCOc1ccccc1NC(=O)CC(=O)N(CC)CC1CCOCC1 65372675 JMBYREZIJRIKHK-UHFFFAOYSA-N 348.443 2.689 0 50 EFAA C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1nc2ccccc2[nH]1 249291672 AJLFADIUNDYPEX-JECHBYEQSA-N 336.395 2.581 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 229432165 ZERMVIPKOWBOSY-YESZJQIVSA-N 329.371 2.788 0 50 EFAA COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)cc1 20638291 GGPQEKRDKDBPOC-SFHVURJKSA-N 326.396 2.707 0 50 EFAA O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1C=CS(=O)(=O)C1 67851184 PXSWQVMWVNRGDU-KRWDZBQOSA-N 341.432 2.636 0 50 EFAA CC(C)(CNC(=O)[C@H]1CNC(=O)C1)c1c(Cl)cccc1Cl 171560497 PWSZZJPYBIJCEO-SECBINFHSA-N 329.227 2.523 0 50 EFAA O=C(Nc1ccc(Cl)c(F)c1)N1CCCN(C(=O)C2CC2)CC1 121854264 HCNTYCLXIACBHL-UHFFFAOYSA-N 339.798 2.955 0 50 EFAA CN(C)c1ccc([C@@H](O)[C@@](C)(O)c2nc3ccccc3n2C)cc1 450716 UKURFEZPMWJIHX-IEBWSBKVSA-N 325.412 2.580 0 50 EFAA CN1CC[C@H](NC(=O)c2cnc(N)c(Cl)c2)[C@H]1c1ccc(F)cc1 252476877 CZUPFHSVUWHLMB-LSDHHAIUSA-N 348.809 2.632 0 50 EFAA O=C(NCCc1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1cn[nH]c1 253425347 GNOAMTUPIKIZGT-MRXNPFEDSA-N 340.431 2.556 0 50 EFAA CC[C@@]1(C(=O)O)CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 215462289 XFUCHGGGNXLQPZ-GOSISDBHSA-N 335.375 2.892 0 50 EFAA Cc1ccc(-n2cccn2)c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)c1 12027675 JSKSREXPGOAYSY-QSFXBCCZSA-N 336.439 2.548 0 50 EFAA COc1ccccc1[C@H]1CN(c2ncccn2)[C@@H]2C3CCN(CC3)[C@H]12 72157734 BBBMYLIXKVQHNL-BHIYHBOVSA-N 336.439 2.552 0 50 EFAA COC(=O)[C@@H]1CC12CCN(Cc1ccnn1-c1ccc(F)cc1)CC2 253427536 CFULJGYARQWJNM-KRWDZBQOSA-N 343.402 2.787 0 50 EFAA CC(C)c1noc(-c2ccc(NCC(C)(C)N3CCOCC3)nc2)n1 39485831 YZTVYHSMDZSNDE-UHFFFAOYSA-N 345.447 2.778 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@@]12CCOc1ccccc12 253431985 ILFAUEPTEDWCER-FOIQADDNSA-N 337.423 2.851 0 50 EFAA CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cnn2ccccc12 358323522 VTAYSSLGTBGGFY-UHFFFAOYSA-N 331.379 2.997 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Cc2noc3ccccc23)Cc2ccccc21 361670787 DICYPMIVQLTKGC-OAHLLOKOSA-N 336.347 2.581 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccco2)nc2ncnn12 216513860 AJUGDWZUINVNMY-CYBMUJFWSA-N 325.372 2.818 0 50 EFAA COc1cccc(CN2CCCN(Cc3ccncc3)CC2)c1OC 215604295 NZAOGQITXWQYTG-UHFFFAOYSA-N 341.455 2.807 0 50 EFAA O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1noc2c1CCCC2 333088667 NTUOKPFHGZAFIS-LLVKDONJSA-N 348.415 2.798 0 50 EFAA Cc1cc2c(cc1CN(Cc1cocn1)Cc1cocn1)OCCO2 215537996 CXABFMOAWOWZIY-UHFFFAOYSA-N 341.367 2.945 0 50 EFAA COc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1C(=O)O 237316844 UIRXEIUQTHYODS-JKSUJKDBSA-N 343.354 2.952 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]34CCOC4=O)n[nH]2)c(C)c1 368726127 DMPVWVCTNUDCJY-IBGZPJMESA-N 339.395 2.615 0 50 EFAA CN(C)S(=O)(=O)CCn1ccnc1-c1ccc(-c2ccco2)cc1 72422163 YZEKFBOMGGJHJB-UHFFFAOYSA-N 345.424 2.702 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1cccc(OC(F)F)c1)CCNC2 72436732 QNHVNCYLEGZJEH-UHFFFAOYSA-N 347.365 2.567 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3cnccn3)cc2)n1 72434964 NTEBKUFEERSALV-OAHLLOKOSA-N 335.411 2.829 0 50 EFAA Cc1cnn(C[C@H]2CN(c3ccncc3-c3cccnc3)CCO2)c1 374009282 JPOOVRAQXJTFPY-QGZVFWFLSA-N 335.411 2.554 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](N)c1ccccc1 131826116 NYBKGBHOIUIIMC-WOJBJXKFSA-N 349.434 2.767 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@H](N4CCCC4=O)C3)ccc2O1 71763841 FQMATKPSSGXESO-KRWDZBQOSA-N 328.456 2.987 0 50 EFAA Cc1ncsc1CN(C)C(=O)c1cc2c(cc1F)NC(=O)CC2 177898505 DKOKQDJOUDCMGM-UHFFFAOYSA-N 333.388 2.748 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1COc2ccccc2C1 45836397 DWQGCJDXVOPRPD-INIZCTEOSA-N 349.390 2.789 0 50 EFAA CCc1nccn1CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 223763512 CTMZQRXGOFCYDD-ZDUSSCGKSA-N 335.835 2.991 0 50 EFAA O=S(=O)(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccoc1 289424137 CFXMHSGDOVOTAY-MRXNPFEDSA-N 333.409 2.652 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)C2)n1 426488321 SWBNJBJCAOUPNT-CYBMUJFWSA-N 338.415 2.704 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)C[C@@H](C)O1 229518698 LNVLGHSBGISHRV-PBFPGSCMSA-N 338.398 2.679 0 50 EFAA CCc1noc([C@H](C)NC(=O)N(C)Cc2ccc3nsnc3c2)n1 426401696 HXTWHBLZQFLJLZ-VIFPVBQESA-N 346.416 2.539 0 50 EFAA Cc1ccc2nc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2c1 91364875 VKVAUVNZCKJOSD-CQSZACIVSA-N 337.379 2.603 0 50 EFAA O=C1NCCC[C@]12CCN(Cc1cccc(C(F)(F)F)c1F)C2 91526806 YHXNHKMNULLZQT-OAHLLOKOSA-N 330.325 2.947 0 50 EFAA CCOC(=O)c1nc(CC)oc1NC(=O)[C@@H]1COc2ccccc2C1 179224783 VHBQRVOSYPRODM-LBPRGKRZSA-N 344.367 2.604 0 50 EFAA Cn1cnnc1C1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95497912 DLEUBTDOWVBLDE-OAHLLOKOSA-N 326.444 2.636 0 50 EFAA COCCc1noc([C@H]2CCCN(Cc3coc(C(C)C)n3)C2)n1 97757806 HPSCEKXRZKHPRG-ZDUSSCGKSA-N 334.420 2.750 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 91365188 NTRMEDNYACUBLZ-SFHVURJKSA-N 343.515 2.842 0 50 EFAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N(C1CCC1)C1CCC1 293951618 SFHIXNXIQKMGLP-LJQANCHMSA-N 328.456 2.821 0 50 EFAA C[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)CC[C@@]1(O)C1CCOCC1 91621273 JXFCAAOMCXMBCS-QRWLVFNGSA-N 348.487 2.883 0 50 EFAA Cc1ccc(C)c(-n2nc(CC(N)=O)nc2-c2cc(C(C)C)no2)c1 96179784 JRIVYDYDRTYNEC-UHFFFAOYSA-N 339.399 2.690 0 50 EFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91745691 CKLHBXNVRWRMPH-ZWKOTPCHSA-N 339.439 2.914 0 50 EFAA CCn1ccnc1C1CCN(C(=O)c2[nH]c(C)c(C(=O)O)c2C)CC1 97601155 DULLBNVFNTWEPA-UHFFFAOYSA-N 344.415 2.566 0 50 EFAA CCC(=O)Nc1cc(NC(=O)NCCCc2ncc[nH]2)ccc1OC 96153616 BHLBTSOYGKWVDS-UHFFFAOYSA-N 345.403 2.521 0 50 EFAA COCc1nc(NCCc2nc(C)c(C)s2)cc([C@H]2C[C@@H](N)C2)n1 243900928 AXPXSEFTRKLSDA-BETUJISGSA-N 347.488 2.556 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1nc2c(s1)CCC2 244626651 FPYGBRJSKQEGSX-UHFFFAOYSA-N 344.484 2.525 0 50 EFAA Cc1cc(-n2cnnc2)ncc1C[C@@H]1CC(=O)N(c2ccccc2)C1 252483593 FFSJOMZHQPQMDB-OAHLLOKOSA-N 333.395 2.566 0 50 EFAA CN(C)c1nc(N)nc(CNC2(c3cccc(Cl)c3)CCCC2)n1 299026744 RGJIVSXZFUVNJK-UHFFFAOYSA-N 346.866 2.732 0 50 EFAA Cc1cc(NC(=O)N(C)Cc2cnccn2)ccc1N1CCCC1=O 299781639 RTPVIUGJIHXYPD-UHFFFAOYSA-N 339.399 2.576 0 50 EFAA Cc1cc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)c(C)s1 670436803 IFNAZGBIJYMCGM-UHFFFAOYSA-N 339.486 2.835 0 50 EFAA Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(Cl)cc1F 682256955 STWUYIGWGGTEJB-CHWSQXEVSA-N 334.844 2.549 0 50 EFAA CCOc1cc(S(=O)(=O)N(C)Cc2c[nH]nc2C)ccc1Cl 952860106 DZEBQWVAHFOFAY-UHFFFAOYSA-N 343.836 2.591 0 50 EFAA Cc1nc(-c2ccc(NC(=O)[C@H](C)CN3CCCCC3)cc2)n[nH]1 952869069 VVTYZIPNYGOPQE-CYBMUJFWSA-N 327.432 2.841 0 50 EFAA CCc1ccc2occ(C(=O)NCc3cc4n(n3)CCCO4)c2c1 408517568 KZSBEASMRGRNNK-UHFFFAOYSA-N 325.368 2.904 0 50 EFAA Cc1cc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)n(C)n1 170641902 WJSDVJRDPCPWBF-UHFFFAOYSA-N 337.427 2.504 0 50 EFAA O=C(C1CCC1)N1CCCN(Cc2cc3ccccc3nc2O)CC1 1137185995 GLJSAMHNIOWVHU-UHFFFAOYSA-N 339.439 2.775 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2csc3c2CC[C@H](C)C3)n1 275391668 PMLYPOBGKFYTEV-DRCTWCGVSA-N 347.440 2.512 0 50 EFAA CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)OCc1ccccc1 168827923 VFBUSCJNDZDRIB-HNNXBMFYSA-N 336.432 2.752 0 50 EFAA in-vitro C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(C2CC2)c2ccccc21 187537211 ZVXHZLHUHHCYIX-CQSZACIVSA-N 343.471 2.943 0 50 EFAA O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 188435462 UXOOJIHZEKXGIU-KGLIPLIRSA-N 342.892 2.899 0 50 EFAA Brc1ccc(CNC2CCN(C[C@H]3CCOC3)CC2)o1 191124047 NYVCFNLKOCGQAB-GFCCVEGCSA-N 343.265 2.633 0 50 EFAA COc1ncccc1C(=O)Nc1cccc(Cl)c1-n1cncn1 193220857 JNHWCGNQCZBLHU-UHFFFAOYSA-N 329.747 2.577 0 50 EFAA O=S(=O)(Cc1noc2ccccc12)N[C@@H]1C[C@H]1c1ccc(F)cc1 194063121 QPIGBNMLPYQYAJ-LSDHHAIUSA-N 346.383 2.942 0 50 EFAA O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccccc1F 194848084 MKMBJIPLFSLFCO-UHFFFAOYSA-N 347.371 2.795 0 50 EFAA CC[C@@H](NC(=O)NCc1cnn(CC(F)(F)F)c1)[C@H]1CCCCO1 654493022 FZZGLMFVIDHCNM-CHWSQXEVSA-N 348.369 2.592 0 50 EFAA COc1cccc([C@H](OC)C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c1 659147371 YWWDANOPUJCTFT-ZBFHGGJFSA-N 349.427 2.732 0 50 EFAA Cc1cc([C@H]2CN(C(=O)c3cc(C(C)(C)N)no3)CCO2)ccc1F 662792857 HZHRFILPHHHVOR-OAHLLOKOSA-N 347.390 2.530 0 50 EFAA O=C(CCN1CC[C@@H](c2ccccn2)C1)N1CCc2ccccc2C1 799195074 LFLZWOOPROYCOA-LJQANCHMSA-N 335.451 2.846 0 50 EFAA CN(C)CCN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCCO1 1423193765 GICPZTIULOYRBX-CQSZACIVSA-N 342.386 2.551 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@@H]([C@H](C)O)C2)c1Br 120880623 JYFMGGJBGTXFNI-WDEREUQCSA-N 327.222 2.992 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)c1 1772807292 LXTIEUJALPROSQ-QAPCUYQASA-N 338.455 2.604 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1cccc(F)c1C(F)(F)F)C2 1772708223 AKDZGZNTLWMLPJ-IUODEOHRSA-N 333.325 2.675 0 50 EFAA COc1ccccc1CCC(=O)N1CCCN([C@@H]2CCSC2)CC1 1772809874 GOFAYMCAWHPPIA-QGZVFWFLSA-N 348.512 2.668 0 50 EFAA CCOc1cc(CNCCN(C)C)cc(Br)c1OCC 19872023 IKFUJGQANBWGPM-UHFFFAOYSA-N 345.281 2.898 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1857713256 NLPVGDFAIBYRAT-PBHICJAKSA-N 348.874 2.551 0 50 EFAA CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@@H]1CCc2ncnn2C1 1857728353 YBYPYSSCADCFKR-GFCCVEGCSA-N 348.834 2.598 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(F)c2F)C[C@H]1C 225587798 MMDLAVKCWVAHHF-IJLUTSLNSA-N 340.370 2.866 0 50 EFAA C[C@@H](CN(C(=O)Cc1ccccc1C(F)(F)F)C1CC1)C(=O)O 237444240 BMDITVVSNBQPPL-JTQLQIEISA-N 329.318 2.960 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 237641873 DLVSRZMWJITOQY-SFHVURJKSA-N 328.368 2.597 0 50 EFAA CCc1oncc1C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 253408199 YOKSSHFUCMDPQI-CYBMUJFWSA-N 348.472 2.596 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccnc3ccccc23)C[C@H]1O 1704278292 QVQGRQMAYJNRMA-MJGOQNOKSA-N 328.412 2.673 0 50 EFAA Nc1ncc2c(n1)[C@]1(CCCN(c3noc(-c4ccccc4)n3)C1)CC2 1704306184 SGKWNNJKNCITRE-LJQANCHMSA-N 348.410 2.593 0 50 EFAA CCCc1noc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)n1 818024931 VQJBEIKABYCNHS-APWZRJJASA-N 345.443 2.903 0 50 EFAA CC(C)c1ncsc1NC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 931666944 IDCGLZIURHPAKU-CYBMUJFWSA-N 344.440 2.972 0 50 EFAA COc1ccc([C@H]2CCCN2Cc2nccc(OC)c2OC)nc1 934343200 HYNKRAUPOFJKGP-MRXNPFEDSA-N 329.400 2.840 0 50 EFAA Cc1nc(CN(C)C(=O)c2cc(F)cc(Br)c2F)no1 935263568 ZQSFCSMGBNCLNB-UHFFFAOYSA-N 346.131 2.691 0 50 EFAA O=C(O)[C@@H](c1ccsc1)N1CCC(OC[C@H]2CCCO2)CC1 846243224 DTHXDYGYBHNKOU-HUUCEWRRSA-N 325.430 2.534 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc4cnccc4[nH]3)C2)cc1 941386348 IWWUKEDGDCBLDL-MRXNPFEDSA-N 348.406 2.516 0 50 EFAA O=C(O)c1csc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1 872161583 CKTWSHFFGIOWEQ-QGZVFWFLSA-N 335.400 2.765 0 50 EFAA Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@H](CCC(=O)O)O2)sc1C 872709446 NXNALWJFWXBSCX-NEPJUHHUSA-N 340.445 2.524 0 50 EFAA CC(C)(CNC(=O)Nc1cnn(-c2ccncc2)c1)C1CCOCC1 1875271392 BJQQXEXXOQSTPQ-UHFFFAOYSA-N 343.431 2.842 0 50 EFAA CCn1ncc(C(=O)N2CC[C@H](CC(=O)O)c3ccccc32)c1C 1875291815 MKHCCAXZHBXNBE-CYBMUJFWSA-N 327.384 2.820 0 50 EFAA CC(=O)c1[nH]c2ccccc2c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O 1875278422 YOYDYONQLBZYTO-BBRMVZONSA-N 328.412 2.994 0 50 EFAA C[C@@H](Nc1ccc2c(c1)nnn2C)c1cc(C2CCOCC2)nn1C 1875284701 HSILOQIXJGXMBN-GFCCVEGCSA-N 340.431 2.769 0 50 EFAA Cc1n[nH]c2cc(C(=O)N3CCC=C(c4cccc(O)c4)C3)ncc12 1875338528 ALYYMHVLRTYFDM-UHFFFAOYSA-N 334.379 2.901 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C[C@@H]2CCc3ccccc3C2)C1 1875391842 KBZUZCHVLURMCW-FHLIZLRMSA-N 327.428 2.945 0 50 EFAA CS(=O)(=O)CCOc1ccc(Nc2cc(C3CC3)ncn2)cc1 882579235 UOHGPQUDPPXHMK-UHFFFAOYSA-N 333.413 2.521 0 50 EFAA O=C(Nc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1nc(O)n[nH]1 887749680 MDXPCWICTXXLKV-NSHDSACASA-N 341.293 2.687 0 50 EFAA Cc1ncc(CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)n1-c1ccccc1 888078006 AJMRTMQYRTUEKX-BEFAXECRSA-N 337.427 2.771 0 50 EFAA C[C@@H]1c2sccc2CCN1C(=O)NCc1nc(C(F)(F)F)no1 896381907 SNJQXUWWORZFJW-SSDOTTSWSA-N 346.334 2.979 0 50 EFAA O=C([C@H]1CCc2nn[nH]c2C1)N1Cc2ccccc2C2(CCCC2)C1 1775986297 PSGXCQRTIILIBM-AWEZNQCLSA-N 336.439 2.764 0 50 EFAA Brc1ccccc1CN1CCN(c2ncccn2)CC1 22591409 IVFBPWJXLDUCQE-UHFFFAOYSA-N 333.233 2.561 0 50 EFAA CC(=O)c1ccc(N2C(=O)C[C@H](N(C)Cc3ccccc3)C2=O)cc1 19809238 HPRGQJCWCGCTIM-SFHVURJKSA-N 336.391 2.653 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3nc4ccncc4n3C)n[nH]2)cc1 2325731979 KDJJIMJVMWGIRG-UHFFFAOYSA-N 346.394 2.597 0 50 EFAA CS(=O)(=O)c1cnc(N2C[C@@H]3CCC[C@@H]3C23CC3)c(Cl)c1 2325784312 SMOCHBYVXKSODL-JQWIXIFHSA-N 326.849 2.907 0 50 EFAA NCc1ocnc1C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 2325796200 ZYDBYHOINYCTAN-GFCCVEGCSA-N 337.832 2.794 0 50 EFAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@@H]1CCCCO1 2325842066 NGRSGCWRASQTPZ-STQMWFEESA-N 333.363 2.552 0 50 EFAA Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)cc1O 909750912 RFHDNSXRAFCPLZ-CQSZACIVSA-N 327.380 2.745 0 50 EFAA Cc1cc(Cl)ccc1N(CC(=O)O)S(=O)(=O)c1ccccc1 320343 ZSZHFBYAPZFWGZ-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](C(=O)O)S3 379354 VDAPNVZXLUHNHH-KPZWWZAWSA-N 342.420 2.693 0 50 EFAA COc1c(C)cccc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 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HBKFLSDDRKOCNL-XJKSGUPXSA-N 325.343 2.650 0 50 EFAA COCC1(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)CCC1 67981964 RSODOQFRVFZTBY-UHFFFAOYSA-N 331.391 2.991 0 50 EFAA Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798761 NGVHUIUMJBQQPX-UHFFFAOYSA-N 326.375 2.989 0 50 EFAA CC(C)(C)c1csc([C@@H]2CN(c3ncnc4nc[nH]c34)CCO2)n1 171363391 OGCMZLQYSFICMC-JTQLQIEISA-N 344.444 2.685 0 50 EFAA Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)cc2sc(N)nc12 65404544 AJWSPUOFJXTABN-UHFFFAOYSA-N 344.484 2.745 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 347436912 ROWSIZLERHZNEC-CYBMUJFWSA-N 344.415 2.846 0 50 EFAA CC(C)(CNc1ccc(-c2nc(C3CC3)no2)cn1)N1CCOCC1 39360060 CMWDESQVOXPHKP-UHFFFAOYSA-N 343.431 2.532 0 50 EFAA CC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)ncn1 63870533 AKDIHWLKGFNKDF-UHFFFAOYSA-N 327.436 2.607 0 50 EFAA C[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1cn2ccsc2n1 65497460 UDTYDHFVOSNKDI-GFCCVEGCSA-N 346.431 2.544 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)COc2cccnc2)cc1 67947658 DRYMERJZWVITKF-LJQANCHMSA-N 339.439 2.886 0 50 EFAA CSCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 11709420 MLELSSITFJODKH-GFCCVEGCSA-N 340.876 2.671 0 50 EFAA C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 119429679 URJKCNCFLJERQK-WFASDCNBSA-N 329.375 2.633 0 50 EFAA O=C(Cc1ccccc1)c1c[nH]c(C(=O)NCCc2ccccn2)c1 1403979 AVQLPXLOISNVBA-UHFFFAOYSA-N 333.391 2.808 0 50 EFAA Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(N2CCNC2=O)cc1 252499420 SAIWWGKFVFRAQB-UHFFFAOYSA-N 342.399 2.963 0 50 EFAA COc1cccc(C(=O)N2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)c1 72151126 KQPPUWKWPZBIMO-MRXNPFEDSA-N 346.471 2.658 0 50 EFAA CCOc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cc(C)no2)cc1 252497921 IKZPFXRAQZBRPF-QAPCUYQASA-N 346.427 2.959 0 50 EFAA COC(=O)c1cc(F)cc(NC(=O)Cc2cccc(OC)c2)c1F 358003334 VRENQOLMCCGOMU-UHFFFAOYSA-N 335.306 2.941 0 50 EFAA CC(=O)Nc1cc(C(=O)N(C)c2nc3ccccc3n2C)ccc1F 120547737 XVNGRYSEBOIGDI-UHFFFAOYSA-N 340.358 2.947 0 50 EFAA Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@H]2CCN(C)[C@@H](C)C2)c1 230185101 RBJIOGUTIAUOBP-HRCADAONSA-N 340.895 2.803 0 50 EFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ncccc2O)C1 72145446 DCAZEMDSMOZSDT-KRWDZBQOSA-N 339.439 2.566 0 50 EFAA Cn1nc(C(=O)NCCc2nc3ccccc3[nH]2)cc1-c1ccccc1 215708133 DTFIUDKHTUSMCN-UHFFFAOYSA-N 345.406 2.936 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC1CCOCC1 172192678 MQYKMCSBACTCAC-KRWDZBQOSA-N 332.444 2.833 0 50 EFAA NC(=O)c1cccc(C[C@H]2CCN(c3noc(-c4ccccc4)n3)C2)c1 72157701 NAYDXHMIMGFUDS-OAHLLOKOSA-N 348.406 2.905 0 50 EFAA Cc1ccc(CN[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@H]2C)cc1F 252673672 RIQIASBFYZKVED-RHSMWYFYSA-N 342.480 2.672 0 50 EFAA COCCN(Cc1nn(C)c2cccc(Cl)c12)C[C@@H]1CCCO1 215401166 GIMWANWKWNNVEG-ZDUSSCGKSA-N 337.851 2.854 0 50 EFAA Cc1sc(=O)n(CC(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1C 155399904 QRADERJMKVHLSU-NUJGCVRESA-N 342.464 2.619 0 50 EFAA OC[C@@H]1COCCN1Cc1ccccc1OCCc1ccccc1 215599197 KKFCHEXMLDQPJV-LJQANCHMSA-N 327.424 2.501 0 50 EFAA CC(C)[C@@H](C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1)N(C)C 332209165 JGNYZDSLDVOQJF-IBGZPJMESA-N 342.487 2.930 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(C(C)C)on2)c1 282603679 URMOZXKYOZJVGA-BBRMVZONSA-N 330.384 2.755 0 50 EFAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H]1CCN(CC2CCCC2)C1 239352397 ABZYNZIYMPVTGY-HYVNUMGLSA-N 349.475 2.655 0 50 EFAA Cc1ccc(CN(C)C(=O)C[C@@H]2COCCN2Cc2ccoc2)s1 72479716 HUOUIHBTEWNOEL-MRXNPFEDSA-N 348.468 2.899 0 50 EFAA Cc1nn(C)cc1CC(=O)N(C)c1cccc(OC(F)(F)F)c1 448895848 FDDBWDSFOWADHQ-UHFFFAOYSA-N 327.306 2.833 0 50 EFAA Cc1cccc(OC2CCN(C(=O)CN3CCCCCC3=O)CC2)c1 77300078 DREXBAWFUXHWFI-UHFFFAOYSA-N 344.455 2.767 0 50 EFAA CSc1cccc(F)c1C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 240886229 INYBSXZAVHXPHK-ZBEGNZNMSA-N 325.405 2.568 0 50 EFAA CCn1c(COc2cccc(C)c2)nnc1N1CCC(OC)CC1 283621881 ASTPUSKUEQFXGA-UHFFFAOYSA-N 330.432 2.801 0 50 EFAA NCc1nc(C(=O)N2CCC(COc3ccccc3)CC2)cs1 238021962 KBDSTJHBPJZAAX-UHFFFAOYSA-N 331.441 2.533 0 50 EFAA Cc1cc(N(C)Cc2nc(-c3ccncc3)no2)n2nc(C)c(C)c2n1 72477014 YJVAGUSDDGYTPW-UHFFFAOYSA-N 349.398 2.736 0 50 EFAA C[C@@H]1C[C@@H](C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCO1 263008706 WFLHCQUPESKHBY-ZJUUUORDSA-N 327.764 2.557 0 50 EFAA CCc1ccc([C@H](O)CNC2CCN(c3nccs3)CC2)cc1 287381486 IGJBHUNXZLXIGQ-QGZVFWFLSA-N 331.485 2.998 0 50 EFAA O[C@H](CN1CCC2(CCN(Cc3ccccc3)CC2)C1)C(F)(F)F 291454802 MMHUARLDRUZLQK-MRXNPFEDSA-N 342.405 2.898 0 50 EFAA COc1ccc(C2(CNC(=O)c3cccn(C)c3=O)CCCC2)cc1 49521455 YBLOWEZTQZGJQK-UHFFFAOYSA-N 340.423 2.636 0 50 EFAA CCc1cc(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n(C)n1 177038237 HJLSNVFKWZQOPX-GFCCVEGCSA-N 332.408 2.858 0 50 EFAA CCOc1ccc(C(=O)N2CCC(OCc3ccccn3)CC2)o1 223127418 MBJOXVMYMXSGCJ-UHFFFAOYSA-N 330.384 2.895 0 50 EFAA O[C@H](COc1cccc2[nH]ccc12)CN1CCOC2(CCCCC2)C1 177547630 AZBGKNAJZIIUJG-INIZCTEOSA-N 344.455 2.943 0 50 EFAA Cc1nc(C)c(-c2cccc(C(=O)N3CCO[C@H](CCN)C3)c2)s1 426622868 BFDLUTQYIRSBMV-MRXNPFEDSA-N 345.468 2.617 0 50 EFAA C[C@@H](NC(=O)CSc1ccccn1)c1ccc(-n2cncn2)cc1 222280960 LKQPPYQEQCBZSH-CYBMUJFWSA-N 339.424 2.632 0 50 EFAA CC(C)CC(=O)N1CCCC[C@@H](NC(=O)CCc2cccnc2)C1 82125369 WICOVLAQWTYLGT-QGZVFWFLSA-N 331.460 2.558 0 50 EFAA CCN(C[C@H]1CCCCO1)C(=O)Nc1cc(-n2cnnc2)ccc1F 426727420 JTVOVXIPWPVICF-CQSZACIVSA-N 347.394 2.829 0 50 EFAA COc1ccccc1N1CCC(NC(=O)N(C)[C@H]2CCSC2)CC1 178913107 ZUJMGADCJWVQMD-HNNXBMFYSA-N 349.500 2.811 0 50 EFAA CN(C)[C@@H](CNc1ncnc2c1ncn2C1CC1)c1ccsc1 292475028 QHEDMYYWLCIUSS-ZDUSSCGKSA-N 328.445 2.938 0 50 EFAA Cc1c(C(=O)N2CCN[C@H](c3ccccc3)C2)c2cc(O)ccc2n1C 97259199 NPZQCXNEUGCKPQ-SFHVURJKSA-N 349.434 2.979 0 50 EFAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCOC[C@@H](CO)C1 96166936 GLGUSALIMXRNQW-CQSZACIVSA-N 344.386 2.965 0 50 EFAA COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C(=O)O)s1 97759255 CHCRWRYDMAHENX-SNVBAGLBSA-N 335.381 2.652 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91657160 DRKQGLQJGCPPJD-GOSISDBHSA-N 342.439 2.808 0 50 EFAA CC(C)[C@@H]1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@H]1N(C)C 95375346 YQRKLIDLLQCBJK-WMLDXEAASA-N 346.450 2.679 0 50 EFAA CCOC1(C)CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1 293532591 ACEZMFTUSGUXKR-UHFFFAOYSA-N 333.354 2.867 0 50 EFAA CC[C@H]1c2cccn2CCN1C(=O)c1cc(C(C)C)n2ncnc2n1 91707480 BAYUTCKSZHMOBQ-AWEZNQCLSA-N 338.415 2.656 0 50 EFAA COc1ccncc1CNC(=O)N1Cc2ccccc2OC[C@H]1C 294128844 GFFBGOXJDHSQMO-CYBMUJFWSA-N 327.384 2.583 0 50 EFAA O=C(c1ccccc1OC(F)(F)F)N1CCOC2(CCOCC2)C1 180409234 KFOZQUAXYLPDGX-UHFFFAOYSA-N 345.317 2.607 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 91563257 HKOMUHIZIRYFPF-CQSZACIVSA-N 348.472 2.623 0 50 EFAA O=C(c1ccccn1)N1CCC(c2nccn2Cc2cccnc2)CC1 91602371 QEBRNEDBMJPVNW-UHFFFAOYSA-N 347.422 2.741 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)NCc1cn2c(n1)SCC2 96179765 KRYPORDLVDYTJW-UHFFFAOYSA-N 340.408 2.882 0 50 EFAA CSCc1nc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)cs1 97088624 NNWMLEHEEKFCDS-UHFFFAOYSA-N 345.453 2.721 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 91643719 GNJDPNMXYKDHRG-QGZVFWFLSA-N 336.501 2.538 0 50 EFAA COc1cc(OC)c(CN(C)Cc2ncccc2C)c(C(=O)O)c1 97681754 VIKPUTCFDDASAZ-UHFFFAOYSA-N 330.384 2.737 0 50 EFAA COc1ccc(Cn2cc([C@H](C(=O)O)N3CCCCCC3)cn2)cc1 95361204 SAMSMFBQPNUOAF-GOSISDBHSA-N 343.427 2.942 0 50 EFAA O=C1[C@H]2CC[C@H](CN(CCCOc3ccc(F)cc3)C2)N1CC1CC1 95370106 VKXXUZOCBWTUCF-FUHWJXTLSA-N 346.446 2.927 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN(CCCc3cnn(C)c3)C1)CCCC2 299743336 NHELRTVDZNJWMB-QGZVFWFLSA-N 327.476 2.683 0 50 EFAA O=C1N[C@H]2c3cc(Br)ccc3C(=O)N2c2ccccc21 252494457 NWHVHZFCEUVEMP-CYBMUJFWSA-N 329.153 2.852 0 50 EFAA Cc1nn(C)cc1-c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 534591823 SSRXRPQJPXEZTG-OAHLLOKOSA-N 327.428 2.942 0 50 EFAA CN1CCc2ccc(C(=O)N3CCCC[C@H]3c3nccs3)nc21 1940195508 UQRBFEKTEHCTIL-AWEZNQCLSA-N 328.441 2.898 0 50 EFAA C[C@@H](NC(=O)CCc1csc(N)n1)c1ccccc1-n1cccn1 828000447 GZHXYGBTWGXTGM-GFCCVEGCSA-N 341.440 2.721 0 50 EFAA CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc(Br)cc1 1414091717 QGNIDNZXJBHQBA-MRXNPFEDSA-N 347.256 2.896 0 50 EFAA CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ncccc1F 1362621476 PUXFJLLIMRIKLI-UHFFFAOYSA-N 337.301 2.587 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)c(C)o1 1565529469 HFJNTTGTBQBLPY-IRXDYDNUSA-N 348.399 2.605 0 50 EFAA C[C@H](NC(=O)NCc1ccc(F)nc1Br)C(F)(F)F 1466917166 QZWZNULJKDCHGX-YFKPBYRVSA-N 344.106 2.733 0 50 EFAA O=C(c1ccnc(O)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 305096259 SVWWCIZEZAZRKM-KRWDZBQOSA-N 330.359 2.512 0 50 EFAA CN(CCN(C)C1CC1)C(=O)c1cnc(Cl)c(Br)c1 408517443 HXMBYCVYNQMEOV-UHFFFAOYSA-N 346.656 2.664 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)C1 271527057 REVCRQFNLSGGQW-UMVBOHGHSA-N 327.421 2.595 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(C/C(C)=C/c3ccccc3)C2)n1 275648321 UDTLMUMBIBOVRV-QCUIPMNBSA-N 338.455 2.983 0 50 EFAA CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 189723700 PBXJJBLBDWBLKB-QMMMGPOBSA-N 330.215 2.584 0 50 EFAA Cc1c(C(=O)N[C@H]2CCc3c(nnn3C)C2)sc2cccc(F)c12 654113155 CFNBDEJBQMRHAO-JTQLQIEISA-N 344.415 2.765 0 50 EFAA COc1cccc([C@@H](NC(=O)[C@H]2CCOc3ccccc32)C(=O)O)c1 659175403 NATGYLIQLUXVHF-DOTOQJQBSA-N 341.363 2.503 0 50 EFAA O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cccc2nccn12 776900039 FNYYQUSMOMURFG-UHFFFAOYSA-N 339.370 2.909 0 50 EFAA COc1ccc(F)c(F)c1CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704298609 AJJKQWFUVKKVMG-FRRDWIJNSA-N 338.398 2.662 0 50 EFAA CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1O 4119359 RJBFEMFSBDDMSA-UITAMQMPSA-N 343.202 2.692 0 50 EFAA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N=C1O 4185042 FHWURJVRDUYYKO-NTMALXAHSA-N 346.437 2.846 0 50 EFAA CCc1cc(CN2CCCN(C(=O)c3sc(C)nc3C)CC2)on1 1772805998 SSDPRTQHOPCLAE-UHFFFAOYSA-N 348.472 2.658 0 50 EFAA CC(C)(C(=O)N[C@H](CCO)C(C)(C)C)C1=N[C@@H](C(C)(C)C)CO1 5377224 VGOHJZOCOGLPBZ-CHWSQXEVSA-N 326.481 2.769 0 50 EFAA CSCCN1C(=O)CC[C@H]1CCNCCOc1ccc(F)cc1 12100211 DQQQYIHPSNZQKN-HNNXBMFYSA-N 340.464 2.538 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1 12448774 KUJCSMNDMFWZFZ-INIZCTEOSA-N 327.403 2.863 0 50 EFAA O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1cc(C2CC2)on1 12836251 QDVFAUQXUGXUCE-KRWDZBQOSA-N 339.439 2.989 0 50 EFAA Cc1cc(C)c2c(c1)[C@@](O)(C[C@@H](C)O)C(=O)N2Cc1ccccc1 12895963 YKBRLYLQUIYZSC-QRWLVFNGSA-N 325.408 2.809 0 50 EFAA Cc1ccc(-c2csc3ncc(C(=O)NC4CC4)c(=O)n23)cc1 16651205 KBPWABCKFFNNJI-UHFFFAOYSA-N 325.393 2.624 0 50 EFAA Cn1c(=O)n(C)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 16651662 YMXDVLPHKJMQSD-UHFFFAOYSA-N 329.787 2.712 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N[C@H]3CCCC[C@@H]3C)C2=O)cc1 19533477 LEFMFIUYTZNGGI-JQFCIGGWSA-N 330.428 2.886 0 50 EFAA C[C@@H]1CCCN(CCC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 19633231 YFXNVTJOXWYDSS-QGZVFWFLSA-N 340.471 2.953 0 50 EFAA O=C(NC1CC1)c1cn([C@H]2CC[C@@H](NCc3cccs3)CC2)nn1 1857668616 RCSACCGIJVJBEB-XBXGTLAGSA-N 345.472 2.505 0 50 EFAA Cc1cc(CCC(=O)N2CCC[C@@H]2CN)ccc1Br 237599774 XLKFBRBPKJPSKX-CYBMUJFWSA-N 325.250 2.640 0 50 EFAA O=C(CCc1nnc[nH]1)N1CCc2c(Cl)cc(Cl)cc2C1 135610524 ZWGSRZNINDZLCQ-UHFFFAOYSA-N 325.199 2.629 0 50 EFAA CCCc1cc(C(=O)N2CCC(c3nncn3C(C)C)CC2)[nH]n1 109994058 LYFJOURQUSLERU-UHFFFAOYSA-N 330.436 2.554 0 50 EFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1 330546556 ABGFNXOQMQQPDI-WCBMZHEXSA-N 338.713 2.605 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cccn2CCc2ccccc2)C1 237655090 WTMRDYMPRVZRFM-LJQANCHMSA-N 326.396 2.668 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)CCCOc2ccccc2Cl)C1 237776042 OGPNYHLAYPZZCZ-INIZCTEOSA-N 325.792 2.822 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)C1 345280953 FWZOKRMDDBTDOJ-UONOGXRCSA-N 345.361 2.748 0 50 EFAA COC(=O)c1cc(CNC(=O)[C@H](c2ccncc2)C(C)C)oc1C 253419400 RYQUUORFKPPXHD-INIZCTEOSA-N 330.384 2.826 0 50 EFAA Cc1nc(N2CC[C@@H](O)C2)ncc1-c1ccc2c(c1)C(C)(C)CO2 904820844 XEEURUWLMGLXAA-CQSZACIVSA-N 325.412 2.693 0 50 EFAA CC(=O)CCCCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 818026575 AUYOXPFYIGKHSW-UHFFFAOYSA-N 346.471 2.980 0 50 EFAA C[C@@H]1Cc2cc(CNC(=O)c3ccccc3Cn3ccnn3)ccc2O1 830820258 DQVBPBGDGKIGAI-CQSZACIVSA-N 348.406 2.580 0 50 EFAA Cc1cc(NC(=O)CN2CCC(c3ncco3)CC2)n(C(C)(C)C)n1 931448741 JQMNVNURSSSRRX-UHFFFAOYSA-N 345.447 2.753 0 50 EFAA CC(C)n1nnnc1-c1ccc(NCc2cccnc2O)cc1F 1875284711 IPNXSEQNNPZFLR-UHFFFAOYSA-N 328.351 2.773 0 50 EFAA O=C(O)C12CC(C(=O)Nc3cnn(CC(F)(F)F)c3C3CC3)(C1)C2 1875319294 WJRDUELIFVTJQY-UHFFFAOYSA-N 343.305 2.516 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Oc3nccs3)cc2)cn1 1875381472 WHQDEYCWIOBSRB-QKKBWIMNSA-N 342.424 2.932 0 50 EFAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc2c(Cl)cncc2s1 887862974 SHWBDSWOYCPTCE-LLVKDONJSA-N 337.832 2.643 0 50 EFAA COc1ccccc1CN(C)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888078728 QQYXDKDKTWPUON-WBVHZDCISA-N 329.400 2.545 0 50 EFAA Cc1nnnn1-c1ccc(C(=O)N2COCC[C@H]2c2ccccc2)cc1 888197042 MCPLJZNNMLFWBK-SFHVURJKSA-N 349.394 2.532 0 50 EFAA C[C@H]1CN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC[C@@H](C)O1 888101323 JHJOJDHVXCQHOY-CVEARBPZSA-N 342.443 2.624 0 50 EFAA O=C(NCC1CCN(CC2CC2)CC1)C1(c2ccc(O)cc2)CC1 1775997524 FZRAUVVMXVWNFL-UHFFFAOYSA-N 328.456 2.662 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(C)c1 4163131 RRVUHPLLPACMLK-HNNXBMFYSA-N 334.441 2.919 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2C(=O)N=c1[nH][nH]c2cc(O)ccc12 2325757379 BDVDDJNBCSIBLD-LLVKDONJSA-N 328.397 2.514 0 50 EFAA COc1ncc(C(=O)Nc2cccc(N3CCC3)c2)c(C(F)F)n1 2325783958 NYIQTXMERVMSQQ-UHFFFAOYSA-N 334.326 2.885 0 50 EFAA O=C1CC[C@H]2CN(C(=O)c3ccc4c(c3)-c3ccccc3C4)CC[C@H]2N1 855678650 ZFRKALHEISUOSD-FXAWDEMLSA-N 346.430 2.999 0 50 EFAA COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 84007 ZSSJNHTXEQPIQP-AWEZNQCLSA-N 342.370 2.504 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 176513 QFGWNMBGXWSTTM-UHFFFAOYSA-N 338.835 2.944 0 50 EFAA COC(=O)c1cc(NC(=O)CCc2ccccc2)cc(C(=O)OC)c1 184148 CBDKSXPNRNTBIZ-UHFFFAOYSA-N 341.363 2.831 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356154346 ROWSQBNZICHTBS-HXUWFJFHSA-N 339.439 2.858 0 50 EFAA C[C@H](NC[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 4023019 HEBNAYZDCNQROW-IQUTYRLHSA-N 327.380 2.645 0 50 EFAA biogenic CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(F)c2)CC1 4841204 VSYOLTORXSADAB-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA Cn1cc([C@H](NCCc2cn3ccccc3n2)c2ccccc2)cn1 225667381 MRKHJOZLRVDXAG-HXUWFJFHSA-N 331.423 2.990 0 50 EFAA CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 9197400 OWXDICNVFWPUSU-CQSZACIVSA-N 337.379 2.637 0 50 EFAA Cc1ccc(-n2nc(NC(=O)c3cn4ccccc4n3)cc2C)cc1 343306468 VHLRHNASHGZAGO-UHFFFAOYSA-N 331.379 3.389 0 50 EFAA O=C(O)CCCC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 310925459 DCIBOKSMVVCITO-UHFFFAOYSA-N 344.455 2.756 0 50 EFAA CC(C)Cc1nnc(NC(=O)CN2CCc3ccc(F)cc3C2)s1 134035236 ITFWMRBKIREDEM-UHFFFAOYSA-N 348.447 2.873 0 50 EFAA Cc1nsc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)n1 55133139 KEYIDHIUFGXQCJ-SNVBAGLBSA-N 336.421 2.764 0 50 EFAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(Br)o2)C1 101088721 IHHCYTMNWCDTKX-RYUDHWBXSA-N 349.228 2.823 0 50 EFAA Cc1cc(C)c(CN2CCC(Oc3ncccn3)CC2)c(C)c1CO 55182940 NZHYFYUVFQKAFL-UHFFFAOYSA-N 341.455 2.938 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)CN(Cc2cnn(C)c2)C2CC2)cc1 65454352 UUGUTOINELINDM-OAHLLOKOSA-N 326.444 2.570 0 50 EFAA Fc1ccc(OCCN2CCCC[C@H]2CCN2CCOCC2)cc1 72119582 MBRTVUJZRJNAMA-SFHVURJKSA-N 336.451 2.781 0 50 EFAA CC(C)c1nc(CNC2CCC(N3C(=O)CCC3=O)CC2)cs1 119552682 BPTYAMJLGUPIGH-UHFFFAOYSA-N 335.473 2.816 0 50 EFAA CCOc1cc(Cl)ccc1C(=O)NC[C@H]1CCNCC1(F)F 423702142 XNXBHQZOFJHMRG-SNVBAGLBSA-N 332.778 2.713 0 50 EFAA CSc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 125036877 YTFOUTCJPGLDFW-INIZCTEOSA-N 345.468 2.728 0 50 EFAA COCC[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1ccc(C)o1 355691204 SNEZGZKKGBFARP-AWEZNQCLSA-N 340.383 2.881 0 50 EFAA O=C(C[C@H]1CCCCNC1=O)Nc1ccccc1[C@@H](O)C(F)(F)F 253431082 NWLGWMMTFORRGS-QMTHXVAHSA-N 344.333 2.527 0 50 EFAA CC(=O)N1CCN(CCCOCC(F)(F)F)CC12CCCCC2 253418327 JABICXBEXLLGHF-UHFFFAOYSA-N 336.398 2.822 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)o1 72153986 QNKRAJVQKYDOQH-OAHLLOKOSA-N 331.391 2.855 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NCCn3nc(C)nc3C)c2c1 77426268 GDRGNIUTJYDGDN-UHFFFAOYSA-N 337.427 2.744 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)c2ccccc21 327044463 NYTXQNISSLUFKZ-CYBMUJFWSA-N 339.347 2.677 0 50 EFAA C[C@@H](SCc1ccccc1)C(=O)Nc1n[nH]cc1Br 328591835 RVCZTYBQNBTQID-SECBINFHSA-N 340.246 3.433 0 50 EFAA CC(=O)N1CCc2cc(NC(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)ccc21 328588780 PSAITFMWOAZNSM-KPZWWZAWSA-N 343.427 2.627 0 50 EFAA COc1cc2c(cc1CN(C)Cc1nc(C3CC3)no1)OCCCO2 214957027 FAJVKXNQXPDJQW-UHFFFAOYSA-N 345.399 2.749 0 50 EFAA Cc1nc(CN(C)C(=O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)no1 328604597 KGNNUKIDJLURGF-KUHUBIRLSA-N 341.411 2.855 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc(C)c(F)cc3Cl)CCO2)o1 328610306 HGVMSXNOJUQFSD-CYBMUJFWSA-N 339.754 2.693 0 50 EFAA CC(=O)NCC[C@@H]1CCCCN1Cc1nnc(-c2cccc(F)c2)o1 72156044 GLPINMPAQYXPIA-INIZCTEOSA-N 346.406 2.756 0 50 EFAA CSc1nc2ncc3c(=O)n(-c4ccc(Cl)cc4)ccc3n2n1 30875175 INBWSOBWJUVOAY-UHFFFAOYSA-N 343.799 2.804 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 156398676 UHTOEBKYEGNJPO-KGLIPLIRSA-N 329.444 2.694 0 50 EFAA COc1ccc([C@H](NC(=O)c2cccc(C(=O)O)n2)C2CC2)cc1 262615069 LSJLJVGMRHMVOJ-MRXNPFEDSA-N 326.352 2.670 0 50 EFAA Cn1ccnc1[C@H](NC1CC(O)(Cc2cccc(F)c2)C1)C1CC1 372421319 KIALJQXMOBKIQH-TVRKMHQQSA-N 329.419 2.736 0 50 EFAA O=C(N[C@@H](C(=O)O)C1CC1)c1ccc(COc2ccc(F)cc2)o1 262130738 KHCGNUHZVMJLPS-OAHLLOKOSA-N 333.315 2.591 0 50 EFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1noc2c1CCCC2 215072260 VIFDJXGHZHQSFM-UHFFFAOYSA-N 334.441 2.589 0 50 EFAA O=C(CC(F)(F)F)N1CCOC[C@H]1c1nc(-c2cccs2)no1 283053132 REWFWUQVNOOZGA-QMMMGPOBSA-N 347.318 2.650 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)[C@H]1CCOC2(CCOCC2)C1 77300748 ZHTDHSUBYOUZCY-INIZCTEOSA-N 343.427 2.897 0 50 EFAA CCCc1oncc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 72134417 XDHGDOLMSOTKKP-AWEZNQCLSA-N 333.432 2.538 0 50 EFAA O=C1CCSc2ccc(C(=O)Nc3cnn(CC4CC4)c3)cc2N1 173334887 QXQZCSIJQCASQF-UHFFFAOYSA-N 342.424 2.980 0 50 EFAA Cc1cccc([C@H](NC(=O)NCCCc2nc[nH]n2)C(F)(F)F)c1 241644630 PSHKTNXCFYPPRE-ZDUSSCGKSA-N 341.337 2.649 0 50 EFAA CCSc1ccc([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1 135574153 NIKWDCLLBKWGHT-YWPYICTPSA-N 329.487 2.956 0 50 EFAA O=C(COc1ccc(Oc2nccs2)cc1)NC1CCOCC1 178199544 OUSYSTWKOMGHAJ-UHFFFAOYSA-N 334.397 2.609 0 50 EFAA CCn1ncc(NC(=O)Cn2ccc(-c3cc4ccccc4o3)n2)n1 48187902 UWWVPNVQOLYNKZ-UHFFFAOYSA-N 336.355 2.546 0 50 EFAA CCNC(=O)c1ccnc(-c2cnn(Cc3ccc(OC)cc3)c2)c1 426389972 VYBFXSJCQUDCHW-UHFFFAOYSA-N 336.395 2.752 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCCOc3ccc(F)cc3)C2)n1 426582782 HYLXHTPIABYZNG-INIZCTEOSA-N 346.406 2.674 0 50 EFAA O=C(c1cccc(-c2ccc(Cl)cc2F)c1)N1CC[C@@](O)(CO)C1 426479774 RRUBFOZHDQDKGG-SFHVURJKSA-N 349.789 2.715 0 50 EFAA CCc1ncc(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)cn1 95390726 LYUNVTNGKPAEEB-QGZVFWFLSA-N 342.418 2.745 0 50 EFAA Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95355623 KPJSLZAHLIOPBK-KRWDZBQOSA-N 341.411 2.604 0 50 EFAA Cn1cnnc1C1CCN(Cc2cnn(-c3ccccc3F)c2)CC1 97425578 PPBJIZPGAYKTKY-UHFFFAOYSA-N 340.406 2.520 0 50 EFAA COC[C@@H](NC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1)C1CC1 292338832 JRZKSBHAVKCBGP-QGZVFWFLSA-N 330.428 2.677 0 50 EFAA Cc1ccccc1Cn1nc(C2CCOCC2)nc1C1(CO)CC1 97547774 BKMRFRGVMNFUSY-UHFFFAOYSA-N 327.428 2.553 0 50 EFAA CCCCSc1ncc(CN2CCC3(CC2)COC(=O)O3)cn1 97797368 RILONVWSNKNNDK-UHFFFAOYSA-N 337.445 2.870 0 50 EFAA COC[C@@]1(CNC(=O)c2cc(C)cs2)OCCc2ccccc21 295281539 BIMMYICZITUAAT-GOSISDBHSA-N 331.437 2.901 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2nnc(N)s2)c1 244899394 ZJAPHYNMCGZSPE-LLVKDONJSA-N 336.486 2.848 0 50 EFAA CC(C)N1C(=O)N[C@@H](C)[C@H]2[C@H]1NC(=O)N(C(C)C)[C@@H]2c1ccccc1 248041770 PFWXSCUXNSMURW-SVGFKBNWSA-N 344.459 2.926 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)c2ccccc2N2CCOCC2)cn1 244691746 JIMGYDLBBIOQIO-OAHLLOKOSA-N 325.412 2.718 0 50 EFAA CCc1nnc(CN2CC[C@H](n3c(C)nc4c3CCCC4)C2)s1 299740518 BHCATYQTDUAGMS-ZDUSSCGKSA-N 331.489 2.931 0 50 EFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@@]2(CCOC2)C1 183684049 WGJPBRBAMWHALD-GOSISDBHSA-N 326.400 2.825 0 50 EFAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1 183904125 XSURSTDKAPMQPX-CJNGLKHVSA-N 347.390 2.924 0 50 EFAA CC[C@H](CN(C)C)NC(=O)N1CCC(c2ccccc2OC)CC1 534588895 OABCBHVDKVGWRB-MRXNPFEDSA-N 333.476 2.924 0 50 EFAA COc1ccc(CN(CC(C)C)C(=O)NCc2cc(O)ncn2)cc1 534636744 LIXMUSUHMVNCML-UHFFFAOYSA-N 344.415 2.559 0 50 EFAA Cc1ccn(CCN2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 299758503 LUSHEABSGWSYAW-UHFFFAOYSA-N 325.391 2.591 0 50 EFAA CCn1nc(CNC(=O)[C@@H]2CC(=O)OC23CCCC3)c2ccccc21 299791836 DGZACPYAJUHCRO-AWEZNQCLSA-N 341.411 2.548 0 50 EFAA CC(C)n1ncnc1CN1CCN(Cc2cccc(Cl)c2)CC1 280127840 VSBIKABCZPYOFN-UHFFFAOYSA-N 333.867 2.830 0 50 EFAA COc1ccc(Br)cc1-c1noc([C@H]2COCCO2)n1 273971241 QHYOCNGEBRDJJM-LLVKDONJSA-N 341.161 2.596 0 50 EFAA O=C(O)CCC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccsc1 170620233 MOOPDGRGLNXQGU-CQSZACIVSA-N 344.392 2.996 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCO1 170604086 VTIVXTSNROAGPB-SFHVURJKSA-N 337.439 2.598 0 50 EFAA C[C@H](C(=O)NCc1ccccc1F)N1CC[C@@H](Cc2ccncc2)C1 222291099 IBIAMBZAILYAAC-WBVHZDCISA-N 341.430 2.790 0 50 EFAA CC[C@H](NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)[C@H](O)C(F)(F)F 277254311 QFHXOVSIJFXSIA-DUPGQFARSA-N 343.345 2.545 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1noc(-c2ccccc2C)n1 277344171 SUIVCXZJVFFKFD-LSDHHAIUSA-N 329.400 2.866 0 50 EFAA C[C@](O)(CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccco1 170047433 VLUMOAQYEUCKMP-PBHICJAKSA-N 336.432 2.668 0 50 EFAA CCN1C(=O)CCc2cc(N[C@@H](COC)C3CCOCC3)ccc21 188461524 XQUVRHIZADKWLM-KRWDZBQOSA-N 332.444 2.839 0 50 EFAA Cc1ccc([C@H](C)NC(=O)Nc2cc(S(C)(=O)=O)ccn2)cc1C 640552270 DOXBIGOONUZUBA-ZDUSSCGKSA-N 347.440 2.985 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2coc(-c3ccccc3)n2)C1 644119184 KSEUKLFEMPVERH-HIFRSBDPSA-N 338.367 2.667 0 50 EFAA O=C(Nc1ccn(CC(F)(F)F)n1)Nc1nnc(C(F)F)s1 192208843 VWJWRYNJGPQWPK-UHFFFAOYSA-N 342.253 2.879 0 50 EFAA O=C(CN1CCCN(Cc2cc(Cl)cs2)CC1)N1CCCC1 194326982 KCIRSLKBSYTGQO-UHFFFAOYSA-N 341.908 2.532 0 50 EFAA O=C(NCCNc1ncc(Cl)cc1Cl)NC1CCSCC1 195476990 NJJRCHFJWIMCKH-UHFFFAOYSA-N 349.287 2.995 0 50 EFAA Cc1ccc(CN(CCO)C[C@@H]2CCCO[C@H]2c2cnn(C)c2)cc1 667967963 BGAJABLJKIABSR-AZUAARDMSA-N 343.471 2.691 0 50 EFAA Cc1noc(C)c1CCC(=O)N(C)Cc1cc(-c2ccccn2)no1 1506420855 BZHSDCRYPXMSSK-UHFFFAOYSA-N 340.383 2.933 0 50 EFAA Cc1nn(C)cc1NC(=O)CC1CCN(Cc2ccccc2)CC1 1529168109 XPAVTDIMFVVSTK-UHFFFAOYSA-N 326.444 2.969 0 50 EFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(F)c(Br)c1 226193492 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343.431 2.646 0 50 EFAA C[C@H](CNC(=O)c1cc(Cl)n(C)n1)c1nc(-c2ccccc2)no1 827483849 MQOSTGLPKRPCIY-SNVBAGLBSA-N 345.790 2.657 0 50 EFAA O=S1(=O)CC[C@@]2(CCCN(Cc3cnc(-c4ccccc4)o3)C2)C1 828395663 VVXPMCBSWLQVDB-GOSISDBHSA-N 346.452 2.742 0 50 EFAA O=C(NCC(=O)N1CCCCc2ccccc21)c1ocnc1C(F)F 832779089 OQHYUKIPKGUVDK-UHFFFAOYSA-N 349.337 2.712 0 50 EFAA Cc1ccc(-c2nc(CN3CCO[C@@H](c4ccnn4C)C3)co2)cc1 933526970 YYQQWVPDOPHVEB-GOSISDBHSA-N 338.411 2.957 0 50 EFAA CC(C)Oc1cccnc1C(=O)N(C)C[C@@]1(O)CCc2ccccc21 843956099 NDIZVGLPLJEVFF-FQEVSTJZSA-N 340.423 2.775 0 50 EFAA N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2csc(C3CC3)n2)C1 846698366 FMHNLFJFXMZYLE-BPLDGKMQSA-N 335.473 2.522 0 50 EFAA O=C1Nc2ccccc2S(=O)(=O)N1Cc1conc1C1CCC1 1875281170 SPZFUFWOYBQOOH-UHFFFAOYSA-N 333.369 2.679 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3cccc(F)c3F)n[nH]c21 1875290100 TXORVNVJRODSQN-ZJUUUORDSA-N 335.354 2.683 0 50 EFAA C[C@@H](NC(=O)Cn1ccc(C(=O)O)n1)c1ccc(C(F)(F)F)s1 1875272654 DBQYUXBMARRVCJ-SSDOTTSWSA-N 347.318 2.539 0 50 EFAA O=C(O)C1CC2(C1)CC(C(=O)N1CCC[C@@H](Nc3ccccc3)C1)C2 1875277690 YRNBYGYUUCHIEO-NCMZTFRISA-N 342.439 2.981 0 50 EFAA O=C(O)C1CCC(C(=O)NCc2cc(C(F)(F)F)ccn2)CC1 1875292042 USAWIYCOVFFTQD-UHFFFAOYSA-N 330.306 2.608 0 50 EFAA COc1ccccc1C(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 1875284328 ROGSSKMKFNFFQC-CDHAZOANSA-N 349.452 2.676 0 50 EFAA COCCN(C)c1ccc(NCc2ccnn2-c2ccccc2)nc1 1875265491 YUOCGMCQGHIKGC-UHFFFAOYSA-N 337.427 2.962 0 50 EFAA N=c1[nH]c2c(NC[C@H](c3cccs3)N3CCCC3)ncnc2s1 1875305521 VJEUDPPPYXGAOF-SNVBAGLBSA-N 346.485 2.809 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1c2ccccc2nn1C 1875334502 QFDWHYMXPXCTAU-QGZVFWFLSA-N 341.436 2.848 0 50 EFAA CCc1cnc([C@@H](C)NC(=O)N2CCCc3c(cnn3C)C2)s1 886071999 VWXRXSINPATYTL-LLVKDONJSA-N 333.461 2.658 0 50 EFAA CC(C)(O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC1CC1 1775993822 LIWVRHHQTXPNEF-LSDHHAIUSA-N 326.481 2.773 0 50 EFAA Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCc1ccccc1 4520620 DMTZOPQLAKWNAM-UHFFFAOYSA-N 344.436 2.600 0 50 EFAA COc1ccc(-c2noc(-c3sc([C@H]4CCNC4)nc3C)n2)cn1 2325787400 YZROZNGKIRQLFV-NSHDSACASA-N 343.412 2.649 0 50 EFAA N[C@@H](CC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)C(=O)O 2325795645 RFAPVRFNLVJYGN-LBPRGKRZSA-N 345.226 2.501 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)C3(c4ccn(C)n4)CC3)cc2)c1C 2325805674 COFCTYNAKHJCHV-UHFFFAOYSA-N 335.411 2.893 0 50 EFAA COc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2 47256 WIIBYWQYFLGQBT-UHFFFAOYSA-N 326.352 2.823 0 50 EFAA COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 318564 AJFPYLYAZVXEFD-UHFFFAOYSA-N 337.372 2.502 0 50 EFAA CC(C)c1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 379104 HVDOLBGNJGWHEL-UHFFFAOYSA-N 338.473 2.589 0 50 EFAA O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 2364948 NOSXLSGHCSZMPX-UHFFFAOYSA-N 333.775 2.923 0 50 EFAA O=C(O)Cc1csc(NC(=O)c2ccc(Br)cc2)n1 4641440 WJEXALBTCBPQKE-UHFFFAOYSA-N 341.186 2.785 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3OC)CC2=O)c1 8247543 BGRSARGOWPJROT-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA O=C(CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCc2ccccc21 225396193 WGQKQEYBTOJRMC-CWRNSKLLSA-N 343.496 2.619 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@H]1CN1CCCCC1)c1ccccc1 246227450 SJRVJJUMLZKPSO-MJGOQNOKSA-N 329.488 2.814 0 50 EFAA COc1ccc(CN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 100491887 XAYVDXYJOCYBLG-MRXNPFEDSA-N 344.798 2.770 0 50 EFAA Cc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2nc(C)oc2n1 55271173 LPMCPBLXVXHROL-CYBMUJFWSA-N 332.791 2.904 0 50 EFAA Cc1ccc(NCc2ccc(C(=O)N3CCC[C@@H]3C(N)=O)cc2)cc1 65398196 UPVMODQGANUPFD-GOSISDBHSA-N 337.423 2.697 0 50 EFAA Cc1nn(C)c2c1[C@@H](c1cc(F)ccc1-n1cccn1)CC(=O)N2 65434665 HZWJVLXSBVCICY-CYBMUJFWSA-N 325.347 2.527 0 50 EFAA O=C(NC[C@@H]1CCCN(C/C=C/c2ccco2)C1)c1cncs1 67934470 GBBQRAQLFLOWIY-IWZWCOEHSA-N 331.441 2.891 0 50 EFAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CN1CCCCC1=O 252480621 CBLCCKYGIWDBHL-HNNXBMFYSA-N 340.427 2.752 0 50 EFAA O=C1[C@@H]2CCCN2C(=O)N1C1CCN(Cc2ccc(Cl)cc2)CC1 253419946 APFQYFLJFGNVPF-INIZCTEOSA-N 347.846 2.731 0 50 EFAA O=C(CCc1ccccn1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72164302 JIADBMZGUYDEOL-OAQYLSRUSA-N 349.478 2.716 0 50 EFAA COc1ccc(CN2CCCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1 253419905 DYGDUMWMNDGAAH-AEFFLSMTSA-N 346.471 2.545 0 50 EFAA Cc1noc([C@H](N=c2nc(C(C)(C)C)[nH]s2)C2CCOCC2)n1 328610649 IRIPJMOGLAWPSN-LLVKDONJSA-N 337.449 2.529 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253623536 YPQLJJCQLWPVKQ-XHSDSOJGSA-N 340.427 2.627 0 50 EFAA CC(=O)c1oc2ccccc2c1NC(=O)CCNC(=O)c1ccco1 154018590 ZNHIGVWZDQLAFM-UHFFFAOYSA-N 340.335 2.987 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)Nc1cncnc1-n1cccn1 125689616 SKFTUBQXUKRYRC-CYBMUJFWSA-N 335.367 2.557 0 50 EFAA C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1F 363451484 ZDPZLQYULUNGEC-LWNYNHHKSA-N 332.350 2.983 0 50 EFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N1CCO[C@H](c2ccc(F)cc2)C1 261598868 AQALZEQUERJPTJ-ZKVVCRCRSA-N 332.419 2.646 0 50 EFAA OC[C@@]1(Cc2ccccc2)CCCN(Cc2cn3cccnc3n2)C1 368280840 MIEMTDPFKWGJQD-HXUWFJFHSA-N 336.439 2.547 0 50 EFAA O=C([C@H]1Cc2ccccc2O1)N1CCNC[C@@H]1c1ccccc1Cl 262005603 QGFOTQOYSFOQCI-SJLPKXTDSA-N 342.826 2.817 0 50 EFAA Cc1cc(C)c2c(NC(=S)NC(=O)c3ccccc3)n[nH]c2n1 13555610 ZASYAMGRYVNWAJ-UHFFFAOYSA-N 325.397 2.702 0 50 EFAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCC(=O)NC[C@@H]1C 71763170 OOSXJMNSRSADRJ-JTQLQIEISA-N 335.354 2.639 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CC[C@@H](N)C[C@H]3C)s2)cc1 237486441 KVOSWRMRLZMLNY-DGCLKSJQSA-N 331.441 2.771 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1ccnnc1)C2 333884691 VMXBOUBZLOSTJC-UHFFFAOYSA-N 328.372 2.690 0 50 EFAA CSCCc1ccc(NC(=O)N2CC[S@](=O)CC[C@@H]2C)cc1 241774163 RNPIZQXINFRVKA-WHEQGISXSA-N 340.514 2.967 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 285917024 UGEZXIAONSZGDA-RISCZKNCSA-N 345.790 2.542 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 286173931 WWIWOMCXMVWSSV-LLVKDONJSA-N 332.322 2.604 0 50 EFAA O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@H]1C[C@@H]1C(F)F 337871499 RLACRFBJKPPMCX-GJZGRUSLSA-N 336.382 2.556 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)oc2c1OC 223301568 RCMVOQMTZYNCPH-DYEKYZERSA-N 331.368 2.666 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1c(F)cccc1F 176895523 YHKQQPAKNZMMFB-MRXNPFEDSA-N 331.318 2.545 0 50 EFAA CCn1ccc2c(cnc3c(-c4ccccc4)c(COC)nn32)c1=O 40396362 YFCSINADWCKJGO-UHFFFAOYSA-N 334.379 2.878 0 50 EFAA C[C@@H]1COc2ccccc2N1C(=O)c1ccnc(NC(=O)C2CC2)c1 289127135 FZEGLWLNLRWGMZ-GFCCVEGCSA-N 337.379 2.858 0 50 EFAA O=C(N[C@H]1CCCn2ncnc21)N1CC[C@H](Cc2ccc(F)cc2)C1 177308965 VNVXKNCRXZQKAP-ZBFHGGJFSA-N 343.406 2.526 0 50 EFAA O=C1CC[C@H](C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c2ccccc21 263375934 AVYUNUSSFPANKO-STECZYCISA-N 341.407 2.991 0 50 EFAA Cc1cc(N2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)cc(C)n1 426544269 CPSXNECKMJOFKD-OXQOHEQNSA-N 343.471 2.854 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)c1cc(-n2cccn2)ccc1Cl 19143445 MZGWEEAOHAVQEU-GFCCVEGCSA-N 341.802 2.677 0 50 EFAA Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c1Cl 221174656 LEGQGTQYEFXMET-GFCCVEGCSA-N 348.809 2.976 0 50 EFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1nc(-c2ccccn2)no1 220064227 UCESHGODWZGHME-GOSISDBHSA-N 346.390 2.894 0 50 EFAA CC1(C)CC(CC(=O)NC[C@H](O)Cc2ccccc2)CC(C)(C)N1 426443163 HMBMJAJKISIZBP-QGZVFWFLSA-N 332.488 2.653 0 50 EFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)CC12CC3CC(CC(C3)C1)C2 141728020 YHZHXZJBMGQQKX-QQABJKMWSA-N 340.467 2.806 0 50 EFAA CN(Cc1cccc2cccnc12)c1cc([C@H]2CCOC2)nc(N)n1 426401725 KNEDHFPZGNIPJH-HNNXBMFYSA-N 335.411 2.747 0 50 EFAA CN1Cc2ccc(CN(C)C(=O)c3cc(-c4cccn4C)[nH]n3)cc2C1 91551323 QGMSBIGXPZEQQX-UHFFFAOYSA-N 349.438 2.633 0 50 EFAA O=C1CCCN1c1cccc(C(=O)N2C[C@H](CO)c3ccccc32)c1 293920416 NELXAVGKIJDKSB-OAHLLOKOSA-N 336.391 2.550 0 50 EFAA CCn1nc(C)c(CCNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1C 91616815 NXLLBEYUHSDBGY-UHFFFAOYSA-N 341.415 2.784 0 50 EFAA CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1 426544922 DMTOBTYPBYEUNN-UHFFFAOYSA-N 344.386 2.843 0 50 EFAA Cc1[nH]c2c(C(=O)N(CCN(C)C)C[C@H]3CCCO3)cccc2c1C 96164979 PMWOEQBZELHRPX-MRXNPFEDSA-N 343.471 2.968 0 50 EFAA Cc1ccc(N2CCC(c3nccn3Cc3cscn3)CC2)nn1 91586048 QEUICKZMVCCDKC-UHFFFAOYSA-N 340.456 2.870 0 50 EFAA Cc1noc(C)c1CCC(=O)N(C)Cc1ccc2nsnc2c1 97307738 LTYWDDKCNQZGTN-UHFFFAOYSA-N 330.413 2.887 0 50 EFAA CCCn1ccnc1CN1C[C@@H](NC(C)=O)[C@H](c2ccc(C)cc2)C1 95523087 XXSQYJKSVXNGTP-RBUKOAKNSA-N 340.471 2.706 0 50 EFAA COc1ccc([C@H](NC(=O)c2cscn2)[C@H]2C[C@@H](O)C2)cc1F 243902141 BGTKNOSBYWXUHV-RWSFTLGLSA-N 336.388 2.533 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 299739590 QLOCCCUICTWGMR-NEPJUHHUSA-N 330.350 2.670 0 50 EFAA COCc1n[nH]c(-c2cccc(NC(=O)Cn3c(C)ccc3C)c2)n1 253409100 LKIVZOILMWFCJM-UHFFFAOYSA-N 339.399 2.675 0 50 EFAA CCN(C(=O)c1csc(S(C)(=O)=O)c1)[C@H](C)c1cccnc1 162969553 WRCPJSUXDDMKPD-LLVKDONJSA-N 338.454 2.770 0 50 EFAA Cn1nc2c(c1NC(=O)CC1(n3cccc3)CCOCC1)CSC2 263587937 NFEPKIVSSMLLNZ-UHFFFAOYSA-N 346.456 2.503 0 50 EFAA Cn1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1=O 261494965 YJMNPCRWJLILIC-UHFFFAOYSA-N 332.665 2.818 0 50 EFAA CCC1(CNC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)CCC1 534636945 PLROKVGIFVDNNY-UHFFFAOYSA-N 345.443 2.634 0 50 EFAA Cc1cc2c(C)nc(NC(=O)c3ccc(Cn4cccn4)o3)nc2o1 1940193389 LHXWXHNHVADWKT-UHFFFAOYSA-N 337.339 2.930 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc3cc(F)ccc3n1)CC2 299798166 QYUOPHKIURNNEV-NZSAHSFTSA-N 330.403 2.878 0 50 EFAA Cc1c(NC(=O)N(C)Cc2ncc[nH]2)cccc1C(=O)NC(C)(C)C 299767984 DJLQGPXNMXYQAA-UHFFFAOYSA-N 343.431 2.910 0 50 EFAA Cc1nc(NCC2(O)CCC(F)(F)CC2)cc([C@@H]2CCOC2)n1 299774377 GUFQFMZWDJJOQK-GFCCVEGCSA-N 327.375 2.641 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cccc3cc(C)oc13)CC2 299800881 WAGKIUVNLRPHHT-SIXWZSSISA-N 329.396 2.886 0 50 EFAA COC(=O)c1c(C)c2ccccc2n1S(=O)(=O)c1ccccc1 575628832 BPTNIHOWFSLUJJ-UHFFFAOYSA-N 329.377 2.973 0 50 EFAA CCc1nocc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685942677 LSBUABSYRGGPAA-SGTLLEGYSA-N 342.399 2.691 0 50 EFAA COc1ccc2nccc(N3CCC([C@H](O)c4ncc[nH]4)CC3)c2c1 1336751388 PSFONJCSYXJPAJ-SFHVURJKSA-N 338.411 2.917 0 50 EFAA COc1cc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)ccn1 1341258095 OIYQOYARFDXQBC-GFCCVEGCSA-N 338.367 2.674 0 50 EFAA COc1ncc(CNC[C@@H]2CCCN(CCc3ccccc3)C2)cn1 952969632 BWPCHNRZNLYGEF-SFHVURJKSA-N 340.471 2.530 0 50 EFAA COc1cccc(-n2cc(CNCc3ccc(CCN)cc3)cn2)c1 952873919 QRXSKNRAMXDBHE-UHFFFAOYSA-N 336.439 2.672 0 50 EFAA CCOc1cc(N[C@H]2CCCN(c3ccccc3F)C2=O)ncn1 302398715 KNLNOFDSQWSTNX-ZDUSSCGKSA-N 330.363 2.622 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 277104636 XELATYGWQKGMBV-RYUDHWBXSA-N 333.354 2.603 0 50 EFAA Cc1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c(O[C@@H]2CCOC2)c1 279794886 GMIRNSNTWHRIER-YQQAZPJKSA-N 345.439 2.784 0 50 EFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)nc2)C1 393351877 PFBYQUHHNITTSC-WCBMZHEXSA-N 341.255 2.595 0 50 EFAA Cc1nc(N2CCCN(c3cccnn3)CC2)ccc1Br 273326760 LIKUCQHNHHGZHD-UHFFFAOYSA-N 348.248 2.659 0 50 EFAA Cn1cnc2cc(C(=O)O[C@H](c3ncccn3)C3CCCC3)cnc21 170605060 XMDSGWCAIXCHEK-HNNXBMFYSA-N 337.383 2.847 0 50 EFAA CCOc1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)cc(Cl)c1O 187911759 TXMOWCNUTORZBW-HZMBPMFUSA-N 327.808 2.941 0 50 EFAA O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc(CC2CC2)[nH]n1 636362385 ROAPGQGLXWGFQS-UHFFFAOYSA-N 339.374 2.868 0 50 EFAA Cc1cc(C)c(N2CC[C@H](NC(=O)c3scnc3C)C2=O)c(C)c1 190566809 FQXBYRQHKTWLHO-AWEZNQCLSA-N 343.452 2.912 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC[S@@](=O)c1ccccc1 198985781 UEDRCWIIVORCQU-QZTZHPFYSA-N 348.512 2.660 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ncc[nH]1 658277860 YHLOJQRQSGWWLU-YESZJQIVSA-N 337.427 2.600 0 50 EFAA Cc1cc(N2CN(CCCCCC(=O)O)CSC2=S)no1 1857526209 ZCAXVMISJHAZCM-UHFFFAOYSA-N 329.447 2.683 0 50 EFAA CCCOc1ccccc1-c1nnc(N2CCC[C@H](NC(C)=O)C2)o1 1772709021 HIHPEZMFCCJFKR-AWEZNQCLSA-N 344.415 2.630 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2nnc(-c3ccccc3)o2)CCC1=O 1772809017 JHYFBUWWDPFBRS-HNNXBMFYSA-N 342.443 2.815 0 50 EFAA CC(C)CC(=O)C(=O)N1CCC[C@@](CO)(Cc2ccccc2F)C1 12112064 SILQSVJUSSQWTM-LJQANCHMSA-N 335.419 2.585 0 50 EFAA O[C@H](COc1ccc(F)cc1)CN1CCN(c2ccccc2F)CC1 19809648 MMOCKXXDRATQLQ-INIZCTEOSA-N 348.393 2.527 0 50 EFAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)[C@H]1C[C@@H]1C1CCOCC1 1857527716 KZMBZQRIYKXFRF-KGLIPLIRSA-N 330.359 2.904 0 50 EFAA CC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857703174 MDCGOOBYDYDOLG-SFHVURJKSA-N 344.455 2.631 0 50 EFAA O=S(=O)(c1ccccc1Cl)N(CCO)c1cccc(F)c1 122459812 FZDWSXNJNNFFEI-UHFFFAOYSA-N 329.780 2.667 0 50 EFAA CC[C@H](C(=O)O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 253428305 JAGDNTQWAHSHLI-ZWKOTPCHSA-N 340.423 2.897 0 50 EFAA Cn1cnc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccccc3F)[nH]2)c1 371156114 SLRFVRADTILSKP-MRXNPFEDSA-N 339.374 2.927 0 50 EFAA CC(C)c1ccoc1C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1 262907213 JFWRXEPIAITBMK-NSHDSACASA-N 344.367 2.858 0 50 EFAA Cc1nc(NC(=O)N[C@@H](C)c2cnn(C)c2)ccc1Br 162550013 PORCCYVIQCDLGM-QMMMGPOBSA-N 338.209 2.769 0 50 EFAA C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1c(F)cccc1F 390308597 VBFSTBOFAWALSO-SECBINFHSA-N 341.335 2.703 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)sc1C(=O)O 909502935 HLYYFBNJAUFHEB-GFCCVEGCSA-N 346.408 2.592 0 50 EFAA C[C@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1nnc2ccccn12 929549587 GGHZDDKFAHTSHI-JTQLQIEISA-N 349.316 2.563 0 50 EFAA C[C@H](C(=O)NN1CCc2ccccc2C1)n1ccc(C(F)(F)F)n1 869263873 ZJGVYASRBHGFLE-LLVKDONJSA-N 338.333 2.552 0 50 EFAA CCOC(=O)c1nc(=NCc2nc3cc(C)ccc3s2)cc[nH]1 874434779 DPHMLDUMWWUPLT-UHFFFAOYSA-N 328.397 2.605 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ocnc2C2CC2)C3)o1 952887152 YIOQZDZJCCFWSA-SGTLLEGYSA-N 342.399 2.691 0 50 EFAA CCn1cnc(Cl)c1CNc1ccc(NS(=O)(=O)CC)cc1 952849686 QABAUKPGYCUGFE-UHFFFAOYSA-N 342.852 2.930 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cn1 952889838 ICTGMTRVXVTWDQ-LBPRGKRZSA-N 334.763 2.524 0 50 EFAA Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)no1 1875279923 LMOVYKBBVNOPFW-UHFFFAOYSA-N 343.792 2.621 0 50 EFAA Cc1noc(C)c1C(C)(C)NC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875395211 RIWQWHXJWKOOBG-KCJUWKMLSA-N 332.404 2.702 0 50 EFAA Cc1ccc(CNC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)o1 886084561 JDYCOYICHCKAAY-KDOFPFPSSA-N 342.443 2.553 0 50 EFAA COc1ccccc1C[C@H](C)N[C@@H]1C[C@]2(C[C@H]1O)CN(C)[C@@H]2C(C)C 888098754 MLGXMXUVFJIPKP-MAWREPJSSA-N 346.515 2.696 0 50 EFAA FC(F)(F)c1cc([C@@H]2CCCN(C[C@@H]3C[C@H]4CC[C@H]3N4)C2)[nH]n1 1775985679 PZYYEINUUHEOGK-YVECIDJPSA-N 328.382 2.748 0 50 EFAA O=C(Cc1ccccc1Br)NC1CCC(C(=O)O)CC1 268928908 IBRZAAFXKWTYSQ-UHFFFAOYSA-N 340.217 2.751 0 50 EFAA O=S(=O)(Nc1ccn(CCF)n1)c1cccc(Cl)c1Cl 2325791672 IQTDMIFWXREOQK-UHFFFAOYSA-N 338.191 2.960 0 50 EFAA CCn1c(O)nc2ccc(C(=O)Nc3cc(-c4cccnc4)[nH]n3)cc21 1457247433 CCHHLJNVEOGIDE-UHFFFAOYSA-N 348.366 2.799 0 50 EFAA COC(=O)C(C)(C)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 341683026 KZAWDNBOMXJTFP-UHFFFAOYSA-N 336.388 2.973 0 50 EFAA CCOC(=O)C1CCN(C(=O)COc2ccccc2Cl)CC1 455227 RKZOCMJHAQTDET-UHFFFAOYSA-N 325.792 2.521 0 50 EFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)cc1F 620131 WBZGGANFYJBOCL-UHFFFAOYSA-N 347.346 2.932 0 50 EFAA COc1cnccc1-c1cccc(C(=O)NCC[C@@H]2CCCN2C)c1 2356151421 HWZZVBNVWVINJX-KRWDZBQOSA-N 339.439 2.971 0 50 EFAA C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc2c(s1)CCCC2 4488021 MGQKQAFYWDNJFE-LURJTMIESA-N 341.487 2.575 0 50 EFAA O[C@H](CN1CCC(c2nnc3ccccn23)CC1)c1ccccc1F 112337361 ZYCCCMSKQWTMCJ-QGZVFWFLSA-N 340.402 2.781 0 50 EFAA C[C@H](C(=O)NCc1ccccc1Cl)N1CCN2CCCC[C@H]2C1 246239004 UJTKJTOPQMQCJZ-ZBFHGGJFSA-N 335.879 2.515 0 50 EFAA CC(C)CCN1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1CCO 20598724 UOHVQVSJEFPZRB-SFHVURJKSA-N 326.431 2.880 0 50 EFAA CC[C@@H](O)C1CCN(C(=O)CCC(=O)Nc2cccc(F)c2)CC1 20857832 JTBSVNNPQBNFKT-MRXNPFEDSA-N 336.407 2.554 0 50 EFAA Cc1cc(C)c2[nH]c(=O)c(CN3CC[C@]4(CCCNC4)C3)cc2c1 67490903 PKLUVFXBAIEZPC-FQEVSTJZSA-N 325.456 2.720 0 50 EFAA O=C(O)/C=C/c1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 20109970 ANBPDQVBHMMILL-QFVHEQCKSA-N 331.755 2.807 0 50 EFAA CCC(CC)N(C(=O)[C@H]1COCCO1)[C@@H]1CCCc2cccnc21 330282481 VIOJKBVAXXNCLJ-IAGOWNOFSA-N 332.444 2.892 0 50 EFAA COc1ccc(OC)c(-c2noc(C3CN(CC(F)(F)F)C3)n2)c1 351189209 MCYVNXWSOCOPBC-UHFFFAOYSA-N 343.305 2.715 0 50 EFAA O=C1c2ccccc2C(=O)N1CCCC1(c2ccccc2)OCCO1 118304670 KKIJKUYDQHEHRO-UHFFFAOYSA-N 337.375 2.963 0 50 EFAA CC(C)(COCc1ccccc1)C(=O)N1CCC[C@@]2(CCNC2)C1 423638809 IWXIUFBUCMJZRD-FQEVSTJZSA-N 330.472 2.832 0 50 EFAA CO[C@@]1(C)CCCN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 281167842 XGCUVBHFLFQYSZ-JSGCOSHPSA-N 348.369 2.624 0 50 EFAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc[nH]c2C2CC2)C1 328592597 MMQSMZPHJTUADO-HXUWFJFHSA-N 338.407 2.849 0 50 EFAA O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(F)cn1 122897310 VOXCOCDAFXFIOE-UHFFFAOYSA-N 329.379 2.928 0 50 EFAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 72478854 OOENWGGGLDYSIS-HXUWFJFHSA-N 349.478 2.839 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253416848 BYSWRLIODVSMNJ-BVIHXZOGSA-N 343.345 2.765 0 50 EFAA COCc1noc(-c2ccc(N(C)CCN3CCCC[C@@H]3C)nc2)n1 72476602 WKDOCJSPZBYDDY-AWEZNQCLSA-N 345.447 2.589 0 50 EFAA CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 282446259 KODKQNCHBVHBRC-DOMZBBRYSA-N 347.484 2.922 0 50 EFAA Cc1ccnc(C2CCN(C(=O)CCc3ccc(O)cc3)CC2)n1 363930224 QHUOJAGAOOSNOZ-UHFFFAOYSA-N 325.412 2.829 0 50 EFAA C[C@H](OCC(=O)N1CCC=C(c2ccccc2)C1)c1nccn1C 376363862 CKLSIDKLDGHCAR-HNNXBMFYSA-N 325.412 2.814 0 50 EFAA NC(=O)Cc1occc1C(=O)N1CCC[C@H]1c1ccccc1Cl 367504271 BFTOPRCALCUOIQ-AWEZNQCLSA-N 332.787 2.938 0 50 EFAA NC(=O)c1csc(CNCc2c(F)cccc2N2CCCC2)c1 285566636 NMEJACMGSZKVJX-UHFFFAOYSA-N 333.432 2.876 0 50 EFAA CCCN1CC2(CCN(c3ncncc3C(C)C)CC2)C[C@@H]1C(=O)O 72164519 SBBDFRRYTWYIRM-MRXNPFEDSA-N 346.475 2.756 0 50 EFAA CCc1n[nH]c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c1C 77424489 NNZCVPMGRZPSIC-SFHVURJKSA-N 341.455 2.736 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@@H]1CCC(=O)O 237479542 UTYSCNDRCHNARX-VXGBXAGGSA-N 341.354 2.978 0 50 EFAA Cc1cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)sc1C 72448022 ZJRGGWJKTWYLNF-CQSZACIVSA-N 336.501 2.938 0 50 EFAA Cc1c(C(=O)N2CCC3(CCCO3)CC2)c2cc(O)ccc2n1C 71661480 USWMIRFRCMKQIT-UHFFFAOYSA-N 328.412 2.978 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)Cc2ccccc21 262204978 SQCYUQDBTLHNAR-MRXNPFEDSA-N 339.395 2.822 0 50 EFAA C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cn[nH]c1 339828248 STNGNTNBPXMEPQ-CXAGYDPISA-N 330.407 2.781 0 50 EFAA CC1(C)NCC[C@H]1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 449751436 YKPPPCZIFUHVBT-CYBMUJFWSA-N 348.834 2.579 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2c2nc(O)c3ccccc3n2)c1 283521228 NCWOEHPHEKPHJG-GUYCJALGSA-N 337.379 2.656 0 50 EFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C(C)(C)O)c1 14963739 AOOPLNHLDNCFLY-INIZCTEOSA-N 327.428 2.754 0 50 EFAA CC(C)CS(=O)(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 219291730 DTGJQYDTEIEFFI-JFUPDXTOSA-N 348.468 2.622 0 50 EFAA COCCCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387656 ZTQPTLZEICIRGH-UHFFFAOYSA-N 334.379 2.748 0 50 EFAA c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ncnc3ccccc23)nc1 220399539 GBADSLWTEOICCT-QZTJIDSGSA-N 336.395 2.811 0 50 EFAA c1nc([C@@H]2CCOC2)cc(N(Cc2ccc3c(c2)OCO3)C2CC2)n1 426508102 PBVGCFZMSMFJBH-CQSZACIVSA-N 339.395 2.878 0 50 EFAA CC[C@@H]1c2ccsc2CCN1C(=O)COc1coc(C)cc1=O 194691193 UOGOELTYQIKDNL-CYBMUJFWSA-N 333.409 2.925 0 50 EFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC[C@H](N(C)C)C1 82087289 VKOROYRUDQRVLL-INIZCTEOSA-N 326.444 2.941 0 50 EFAA Cc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)o1 197575903 KLSIJTJXQPIEJQ-UHFFFAOYSA-N 340.427 2.882 0 50 EFAA O=C(Cc1cccnc1)NCCCc1nc2cc(Cl)ccc2[nH]1 222736892 RASWFHBEVLNASV-UHFFFAOYSA-N 328.803 2.903 0 50 EFAA COCCN(Cc1ccncc1)C(=O)N[C@@H](C)c1nc(C)cs1 426518461 ZGQRKYDJERHTJT-ZDUSSCGKSA-N 334.445 2.766 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1C 82086960 GQEMBDJUPMWDAI-UHFFFAOYSA-N 338.407 2.801 0 50 EFAA COC(=O)c1cc(C)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1 20605312 XKSNSEMIIQXNJL-UHFFFAOYSA-N 341.392 2.847 0 50 EFAA O=C(NC1CCN(CC2CCCC2)CC1)c1cnc(C2CC2)nc1 294806776 UUIDYUXBRCNNGZ-UHFFFAOYSA-N 328.460 2.738 0 50 EFAA O=C(NC[C@H](O)COc1ccccc1)c1c[nH]nc1C1CCCCC1 92077126 OYVIADNPMLCJJA-HNNXBMFYSA-N 343.427 2.627 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@@H](CS(C)(=O)=O)C3)ccc2O1 97660630 DEXBDAMTILNHKD-OAHLLOKOSA-N 337.485 2.657 0 50 EFAA Cn1cccc1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 91645687 WYLGFMBIDUMZLB-UHFFFAOYSA-N 349.438 2.685 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)N2CCSCC2)cc1 95513031 GZNPPLKWPJNRPA-UHFFFAOYSA-N 346.456 2.985 0 50 EFAA CSc1ncc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cn1 91808198 TUBYPCHJQVRUBC-UHFFFAOYSA-N 346.431 2.690 0 50 EFAA Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95389068 SGGGKGFIJVBJQG-QGZVFWFLSA-N 341.411 2.604 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)NC1CCN(c2ccccc2F)CC1 96131035 GAMHGIPNMIIXSM-UHFFFAOYSA-N 345.422 2.967 0 50 EFAA CN(C)[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)c1cccc(F)c1 95374336 QGHQVHXERJPRES-GOSISDBHSA-N 344.434 2.737 0 50 EFAA COc1ccc(CN(CCn2ccc(C)n2)C[C@@H]2CCCO2)cc1 244873476 WRCFUOFBFQZWFD-IBGZPJMESA-N 329.444 2.881 0 50 EFAA CN(Cc1nccn1C1CC1)CC1(N2CCOCC2)CCCCC1 244899345 ZIDAACOTNBIYGB-UHFFFAOYSA-N 332.492 2.685 0 50 EFAA COCCc1noc([C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)n1 244716157 LJOYAZGBQBYOTI-AWEZNQCLSA-N 349.456 2.902 0 50 EFAA CN(Cc1nnc(-c2cccnc2)o1)Cc1n[nH]c2c1CCCCC2 244678722 IIWDAWFJEXTJHD-UHFFFAOYSA-N 338.415 2.756 0 50 EFAA C[C@H](CC(=O)N1CC[C@@H](CN)C1)c1ccccc1Br 299739303 NEASLVAJUQKTJK-NEPJUHHUSA-N 325.250 2.750 0 50 EFAA CO[C@@H]1C[C@H](O)[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 257346344 YOFGKSLUPIZZOA-CFKFPQRESA-N 336.472 2.555 0 50 EFAA CC1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263616806 KQVOGKACFKHUEY-INIZCTEOSA-N 344.390 2.561 0 50 EFAA Cc1nccn1CCCNC(=O)Nc1ccnn1Cc1cccs1 299756397 DLKOXPCVRXXPSK-UHFFFAOYSA-N 344.444 2.710 0 50 EFAA Cc1noc(C)c1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 823765048 QWOGZFGGMWNNSJ-UHFFFAOYSA-N 343.427 2.946 0 50 EFAA O=C(NCCN1CCc2ccccc21)c1ccc(CN2CCCC2)o1 828166336 BTYFHHMAHVBZJT-UHFFFAOYSA-N 339.439 2.668 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@H]3COc4ccccc4O3)cc2c1 670468357 UYQONIYLQAMMGG-GOSISDBHSA-N 338.363 2.633 0 50 EFAA CC(C)Oc1cccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c1 170633733 FKPXUJHARBIBLR-CSTKLKAISA-N 338.473 2.525 0 50 EFAA C[C@H](C(=O)OCC(=O)c1ccccc1F)N1CCc2ccccc2C1 735955821 CJEFGPPDWLWCAL-CQSZACIVSA-N 341.382 2.998 0 50 EFAA CCCC[C@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@@H](C2CC2)O1 1615937317 KPFORYVVJHJSEJ-OALUTQOASA-N 331.456 2.918 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CCc2csc(N)n2)n1 1506421313 OIJQLYVTSIVZGI-NSHDSACASA-N 335.433 2.528 0 50 EFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1ccon1 1506431703 WCRNREPKALJDBU-UHFFFAOYSA-N 339.398 2.520 0 50 EFAA CN(CC1(N2CCCCC2)CCCCC1)c1ncccc1C(N)=O 1529159356 OZLWCYRHNZCSFB-UHFFFAOYSA-N 330.476 2.806 0 50 EFAA COc1ccc(OCC2CCN(CC[C@@H]3COCCO3)CC2)cc1 1775980345 YYJQVSZMZYRDPF-LJQANCHMSA-N 335.444 2.592 0 50 EFAA CCN1CCN(CCOc2ccccc2CN2C[C@@H]3C[C@@]3(C)C2)CC1 1772813613 JYAJOIJLHIEOEQ-FPOVZHCZSA-N 343.515 2.545 0 50 EFAA Cc1cccc(CNC(=O)c2cn(CCC3CCCCC3)nn2)n1 12435925 WLSAGRKKGCZDLA-UHFFFAOYSA-N 327.432 2.882 0 50 EFAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 14399122 NOSUJIMSKZNQCF-ZDUSSCGKSA-N 339.395 2.591 0 50 EFAA Cc1ccccc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 15879996 KZCZSUVPBRJTOV-UHFFFAOYSA-N 325.397 2.906 0 50 EFAA Cn1cc(CCn2ccnc2-c2cc3c(cc2Cl)OCO3)cn1 1857675780 IZSJDAAXGRHEJA-UHFFFAOYSA-N 330.775 2.908 0 50 EFAA c1cnn2c(-c3cc4c(s3)C3(CCNCC3)OCC4)cnc2c1 1857718104 OCEVVZWTIOJAIM-UHFFFAOYSA-N 326.425 2.609 0 50 EFAA O=C1CC[C@H](C(=O)NCCCCc2ccc(Cl)cc2Cl)N1 225552035 AGNBIZXNOAWXKV-CYBMUJFWSA-N 329.227 2.711 0 50 EFAA COc1ccc(-c2noc(N3CCC[C@H]([C@@H]4CCNC4)C3)n2)cc1 643048321 PSQOZHXVFSXZRF-CABCVRRESA-N 328.416 2.571 0 50 EFAA C[C@@H](O)[C@@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CCO1 332620265 DUXKAJWSYGPZFQ-YPMHNXCESA-N 339.461 2.804 0 50 EFAA CCc1ccccc1Cc1noc(C[C@@H]2CCCS(=O)(=O)C2)n1 349697912 ZEAKVASDKVHTQQ-ZDUSSCGKSA-N 334.441 2.590 0 50 EFAA O=C(NCCc1cscn1)[C@@H]1CCN(c2ccccc2Cl)C1 354278177 JKWZMCODKDTQAL-GFCCVEGCSA-N 335.860 2.982 0 50 EFAA Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCC13CCOCC3)CCC2 253395085 MDEKYWJOVLYWAN-JKSUJKDBSA-N 346.475 2.717 0 50 EFAA Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)nnn1C1CCNCC1 150717161 AHCUZBFOBLULRD-NSHDSACASA-N 347.850 2.655 0 50 EFAA Cn1cc(CNC(=O)N[C@H]2CCCc3occc32)c(C(F)(F)F)n1 151716822 GBYMEPQTPWLKAZ-NSHDSACASA-N 342.321 2.909 0 50 EFAA O=C(c1cc2c(Br)cccc2[nH]1)N1C[C@@H](O)C2(CC2)C1 375288999 PKOYYVUIABHFNO-CYBMUJFWSA-N 335.201 2.527 0 50 EFAA Cc1ccnc([C@H]2CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)c1 496809212 GYHOMBOOLMPTFF-GOEBONIOSA-N 345.443 2.715 0 50 EFAA CCCC[C@H](COC)NC(=O)N(C)Cc1ccc(C(=O)OC)cc1 265500775 ZKDLCASMEHXPSZ-MRXNPFEDSA-N 336.432 2.820 0 50 EFAA Cc1nocc1CN[C@@](C)(C(=O)O)c1cccc(Br)c1 901621348 IAMAZVYZDBBIDI-CQSZACIVSA-N 339.189 2.835 0 50 EFAA CCC[C@]1(CO)CCN(c2cc(C)c3ccc(OC)cc3n2)C[C@H]1O 1704350991 KXAMWBYYAKJPGE-UYAOXDASSA-N 344.455 2.902 0 50 EFAA Cc1cc(F)ccc1[C@H](C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 830371563 HAGYFLYIJVUMAM-LBPRGKRZSA-N 341.390 2.759 0 50 EFAA Cc1nc([C@H]2CCN(C(=O)Nc3ccccc3OCCF)C2)no1 931588380 LTERWSMANANOKZ-LBPRGKRZSA-N 334.351 2.748 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@@H](c3n[nH]cc3N)C2)cc1Cl 864381808 JKGGVCRGHZNDPV-CYBMUJFWSA-N 332.835 2.902 0 50 EFAA Cc1cc(C(=O)NC2(c3nc(O)cc(C4CC4)n3)CCCCC2)n[nH]1 1875253783 NFONZXMFOMNOHG-UHFFFAOYSA-N 341.415 2.681 0 50 EFAA NC(=O)c1ccc(C2(C(=O)OCCCC3CCOCC3)CC2)cc1 1875322981 QINIBBKOGLQOLG-UHFFFAOYSA-N 331.412 2.567 0 50 EFAA N[C@@H]1CCC[C@@H](CN2CCC(n3c(O)nc4ccccc43)CC2)C1 1875318711 SZVQIERLRRTRIH-HUUCEWRRSA-N 328.460 2.896 0 50 EFAA Cc1cc(C)n(-c2cccc(NC(=O)c3cnc4ncccn34)c2)n1 1875323156 ZPBYXSZVJOFPEQ-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2ccccc2CC1 1875314628 JLIAUSRYMXYBLJ-KGLIPLIRSA-N 339.439 2.683 0 50 EFAA Nc1nnc([C@@H]2CCCN(C[C@@H](O)c3ccc4ccccc4c3)C2)o1 878947530 YCTXSEARLPLJGF-IAGOWNOFSA-N 338.411 2.718 0 50 EFAA COc1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)c(Cl)c1 887108919 AQEKDGQSDDDPMC-MRXNPFEDSA-N 347.798 2.917 0 50 EFAA C[C@@H](C(=O)O)C(=O)N[C@H]1CSCc2ccc(Br)cc21 888096700 JCTFESHLDGVYRH-HQJQHLMTSA-N 344.230 2.574 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)COCc2ccccc2)C1 888103428 ZZJVWVRGUCIRQW-SJORKVTESA-N 343.427 2.532 0 50 EFAA O=C(Cc1ccc(F)c(Cl)c1)N[C@H]1c2ccccc2OC[C@H]1CO 889572676 XPDVTVJQSMFIOR-KZULUSFZSA-N 349.789 2.880 0 50 EFAA CCn1cc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)nn1 899869211 WSDDZENELBXEMB-CQSZACIVSA-N 327.432 2.666 0 50 EFAA COc1cccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)c1 12321838 WFUZYNUZYKCZJW-UHFFFAOYSA-N 336.395 2.984 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2[nH]c3c(F)cccc3c2C)CC[C@@H]1O 2100547710 NHTLKEKJWMJRAX-KXBFYZLASA-N 348.418 2.601 0 50 EFAA O=C(O)C[C@@H]1CC[C@@H]2CN(c3cc(NC4CC4)ncn3)CC[C@@H]2C1 2325777267 QHLOKVMEFSRLKJ-MGPQQGTHSA-N 330.432 2.768 0 50 EFAA CC1(C)[C@H](CC(=O)N2CCCN(Cc3ccccc3F)CC2)C[C@H]1N 2325799634 MHIXOQBAXNNXAW-FUHWJXTLSA-N 347.478 2.624 0 50 EFAA N[C@H]1CN(c2ccc3ncc(Br)n3n2)Cc2ccccc21 2325859138 PJNXSXVRHCUCCV-LBPRGKRZSA-N 344.216 2.512 0 50 EFAA Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3 32650 NSLXIAJZVXJDRY-UHFFFAOYSA-N 331.441 2.620 0 50 EFAA COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 187767 JRZJFINUEMXOPS-WMLDXEAASA-N 338.363 2.570 0 50 EFAA biogenic COc1ccc(C[C@@H](NC=O)c2ccc(OC)c(OC)c2)cc1OC 332731 LNFPBETXSXYHCE-OAHLLOKOSA-N 345.395 2.751 0 50 EFAA CC(C)Oc1cccc(CNC(=O)CN2CC[C@]3(CCCOC3)C2)c1 341983822 CTNXPRJDKIVYRV-HXUWFJFHSA-N 346.471 2.593 0 50 EFAA OC[C@H]1[C@@H]2CC[C@@]3(CN(c4nc(-c5ccc(F)cc5)cs4)C[C@@H]13)O2 2356145467 NWGSNVLWBPESNJ-OAOQPFQOSA-N 346.427 2.925 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 4843270 DNDPPKOITIJUMK-UHFFFAOYSA-N 336.388 2.766 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccccc1Cl 6698194 VYWKNXBTVQQYQT-VIFPVBQESA-N 340.836 2.669 0 50 EFAA COC1([C@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 421730125 VETHIZBENCTRHK-NSHDSACASA-N 347.333 2.899 0 50 EFAA O[C@@H](Cc1ccccc1)C1CCN(Cc2cnn3cccnc23)CC1 67688371 FXGDSFCYQZBPKS-IBGZPJMESA-N 336.439 2.545 0 50 EFAA C[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1ccccc1-n1cccn1 67981688 FFAILPIMFWFGAY-ZDUSSCGKSA-N 346.394 2.645 0 50 EFAA CC(C)Cc1nc([C@@H]2CC(=O)N(CC(C)C)C2)n(-c2ccccn2)n1 65533054 IDXJNTNMFWHKAL-OAHLLOKOSA-N 341.459 2.833 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)c1cccc(-n2cccn2)c1 347372731 QOVKQVHOBQTMSI-CQSZACIVSA-N 349.390 2.990 0 50 EFAA Cc1nc(C)c(CC(=O)N(C)CCCSc2ccccc2)c(=O)[nH]1 67490189 IGNGVACVVAOCAJ-UHFFFAOYSA-N 345.468 2.570 0 50 EFAA Nc1ncc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cn1 67981911 UHDXGZDZCPNIHC-UHFFFAOYSA-N 348.454 2.752 0 50 EFAA COc1ccccc1N1CCN(C[C@H]2COc3ccccc3O2)CC1 20775759 IQDINXFLUAYBCC-INIZCTEOSA-N 340.423 2.657 0 50 EFAA O=C(NC[C@]1(CCO)CCOC1)Nc1ccccc1-c1ccncc1 118989287 ZWJGTFMXXKZMFW-IBGZPJMESA-N 341.411 2.659 0 50 EFAA CCc1ccc(CN2CC[C@H](CNC(=O)c3ccc(C)nc3)C2)nc1 67872969 GOIWLSZBYUFQCY-QGZVFWFLSA-N 338.455 2.599 0 50 EFAA Cc1cc(-c2ncccc2NC(=O)N2CCC[C@H](C(N)=O)C2)cs1 252478554 APHFQNVXRWKAMD-LBPRGKRZSA-N 344.440 2.848 0 50 EFAA Cc1ncsc1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72475819 PCNXESQDVWARSQ-UHFFFAOYSA-N 346.408 2.590 0 50 EFAA COCc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)no1 328636820 VQXBKZPQPTTXQZ-NSHDSACASA-N 335.429 2.778 0 50 EFAA Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2ccc(N)nc2)CC1 328628286 HDFSYSSRCVZUKC-QGZVFWFLSA-N 338.455 3.008 0 50 EFAA CCc1cc([C@@H](C)Nc2nc(-c3cccnc3)nc3c2CNC3)on1 72153489 COQIPTYJEIPCFM-LLVKDONJSA-N 336.399 2.865 0 50 EFAA Cc1ccnc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)n1 328656247 ZEEHCIQYSPECQN-CQSZACIVSA-N 329.473 2.732 0 50 EFAA CN1CCCN(c2ncccc2CNC[C@H]2CCOC(C)(C)C2)CC1 39552541 IXRNBBSEKXLTPY-KRWDZBQOSA-N 346.519 2.518 0 50 EFAA Cc1c(O)cccc1C(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 77486267 OGUBPPKLCYZGSO-HXUWFJFHSA-N 342.439 2.708 0 50 EFAA Cc1nc(C2CCN(c3nccc(C4CCCC4)n3)CC2)cc(=O)[nH]1 77320698 HDZTWJXXPUSFSP-UHFFFAOYSA-N 339.443 2.910 0 50 EFAA FC(F)(F)c1cccc(C[C@@H]2CN(CC3CCNCC3)CCO2)c1 71759145 POHBJJKMJVODQA-QGZVFWFLSA-N 342.405 2.948 0 50 EFAA Cc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccccc3O)C2)cc1C 283658150 ULLJAMGQUMHFSK-QGZVFWFLSA-N 338.407 2.861 0 50 EFAA O=C(c1cc(-n2cccc2)ccc1O)N1CCO[C@@H](C(F)(F)F)C1 71750942 RNQKMRBAZGOWKR-CQSZACIVSA-N 340.301 2.586 0 50 EFAA CNC(=O)[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 71736088 KWCAWBQWCUPWMA-CYBMUJFWSA-N 333.819 2.871 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1nc(C(=O)O)cs1 263139474 UBUJDSKICNKVJV-ZJUUUORDSA-N 336.438 2.674 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](N)CC3)cc2)n1 72171600 OWCAOOJJLPMKRV-SFHVURJKSA-N 326.444 2.502 0 50 EFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 72433817 JARIOCYJXABNHQ-OAHLLOKOSA-N 345.443 2.765 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 174969249 IYBFOWKCRBDOQT-AWEZNQCLSA-N 341.415 2.804 0 50 EFAA COc1cccc(CNC(=O)N2CCCC[C@@H]2c2cccn2C)n1 175413579 DLZCAEBNMHCTKK-MRXNPFEDSA-N 328.416 2.866 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H](OCc2cccnc2)C1 221346417 GMZBTSMOPPCWAF-GOSISDBHSA-N 338.407 2.838 0 50 EFAA C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1nnc(N)s1 426613653 QWUNUSCCCOEGJL-QMMMGPOBSA-N 331.426 2.735 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)NCc2cccc(-n3cccn3)c2)C1 426690489 AMWQTEJSUMFBSV-GOSISDBHSA-N 342.443 2.973 0 50 EFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCCc1cn2ccccc2n1 288754600 YKFPHDJSVYUNRN-SCLBCKFNSA-N 336.395 2.698 0 50 EFAA CNC(=O)c1ccc(CNC(=O)Cc2ccccc2C(F)(F)F)o1 222718396 SQKLSCZFOIYUCB-UHFFFAOYSA-N 340.301 2.517 0 50 EFAA COC(C)(C)C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220666676 QDXAKLJJXQPRSR-PUJMQQBBSA-N 328.412 2.588 0 50 EFAA CC(C)n1ccc(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)n1 291727049 KRCRIGNLJRLWDI-GOSISDBHSA-N 328.416 2.632 0 50 EFAA CC[C@@H](NC(=O)CSc1nnc(S)s1)c1c(C)noc1C 161803406 DGARXWWNUDHSME-MRVPVSSYSA-N 344.487 2.791 0 50 EFAA COc1cccc(OCCN2CCN(C3CCSCC3)CC2)c1 93761906 JWIMAOOECDGYDN-UHFFFAOYSA-N 336.501 2.587 0 50 EFAA CNc1ncc(CN(C)C(=O)c2ccc([C@@H]3CCCO3)s2)cn1 91350754 KAWJKMXXEKFVID-LBPRGKRZSA-N 332.429 2.704 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 179024931 MTEJZNAOKSEATK-WDEREUQCSA-N 331.243 2.829 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCc1cn2ccccc2n1 97743196 MNAJMFSXEWRWNZ-MRXNPFEDSA-N 339.443 2.695 0 50 EFAA CCCN1CCC[C@@]2(CCN(Cc3noc(C4CCCC4)n3)C2)C1=O 91935088 YQNRPLJKWDYMCL-IBGZPJMESA-N 346.475 2.952 0 50 EFAA O=C1C[C@@H](Cc2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 95497821 OWHOGDQKAIXDES-OAHLLOKOSA-N 334.379 2.723 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCN(Cc2cccs2)CC1 426690264 ITSPJICNQBMZLP-GFCCVEGCSA-N 347.488 2.676 0 50 EFAA COC[C@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)CC1(C)C 91689907 COASEPAWFAQGHM-MRXNPFEDSA-N 345.361 2.955 0 50 EFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)CCc2c(C)nn(C)c2C)C1 91830104 LFXFRSDQPKBWTL-HXUWFJFHSA-N 347.503 2.927 0 50 EFAA Cc1cc(C(=O)NC2CCN(C3CCSCC3)CC2)cnc1C 97609962 YOUGTTVKPDHNIK-UHFFFAOYSA-N 333.501 2.788 0 50 EFAA C[C@H](NC(=O)NCc1ccnc(OCC(F)F)c1)c1nccs1 180510201 KMFIVZLWNNXFHL-VIFPVBQESA-N 342.371 2.742 0 50 EFAA O=C(c1cccc(N[C@@H]2CCOC3(CCC3)C2)c1)N1CCC[C@H](O)C1 294813562 QOHBIIUACALZDW-MSOLQXFVSA-N 344.455 2.797 0 50 EFAA Cc1nnc(COCC(=O)NCc2cc(C3CC3)ccc2F)s1 295485660 RWYYBUQIOODDCK-UHFFFAOYSA-N 335.404 2.696 0 50 EFAA C[C@H](NC(=O)N1CCOc2ccc(CO)cc2C1)c1ccsc1 534671714 CWBHBLFRZZUBEM-LBPRGKRZSA-N 332.425 2.906 0 50 EFAA CCCn1cc(NC(=O)N[C@H]2CCCN(Cc3cccs3)C2)nn1 299791647 DWMCXFSGWOUFEC-ZDUSSCGKSA-N 348.476 2.536 0 50 EFAA Cc1csc([C@H](C)CNC(=O)c2ccccc2-n2cncn2)n1 584903260 XSEJSACZGSTBPH-LLVKDONJSA-N 327.413 2.566 0 50 EFAA Cc1nonc1CN[C@H](C)CCc1c(C)[nH]c2ccccc2c1=O 584901258 VQNFEFCMSHVILY-LLVKDONJSA-N 326.400 2.639 0 50 EFAA Cc1nc2c(c(N[C@H]3CCOC[C@@H]3OCc3cscn3)n1)CCC2 1565507618 JSMDEQRNWCDOSW-HOTGVXAUSA-N 346.456 2.516 0 50 EFAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)ccc1F 1565513031 TZHRQXXJHQTQKD-RDJZCZTQSA-N 337.391 2.704 0 50 EFAA CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc21 1462735530 WRUJEVLPEVWSOU-LBPRGKRZSA-N 348.424 2.618 0 50 EFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1 952873705 NFHODQZJXZQDLH-LJVAIEIZSA-N 341.455 2.726 0 50 EFAA CCOC(=O)c1cnc(NC(=O)CCc2ccc(C)cc2C)n1C 170610454 TWJIRCDKGCCLRE-UHFFFAOYSA-N 329.400 2.785 0 50 EFAA CCc1ccc(CC(=O)N[C@](C)(Cc2ccccc2)C(=O)O)cc1 170671908 KQIRIGCEKSVTET-HXUWFJFHSA-N 325.408 2.994 0 50 EFAA COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 169583786 CZLWGXKWXLVFJU-RTBUJCADSA-N 338.451 2.786 0 50 EFAA Cc1ccccc1-c1cnc(CN2CCN(CCO)C(C)(C)C2)o1 682033959 BBFPFIWYFUISPI-UHFFFAOYSA-N 329.444 2.539 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)CCO1 188154619 OBAQFSVKDMHQET-KBXCAEBGSA-N 336.432 2.673 0 50 EFAA COc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)c(I)c1 192433025 OGFNSWWIRXVOKF-WRWORJQWSA-N 346.168 2.830 0 50 EFAA C[C@@H](C(=O)Nc1ccc(NC[C@@H]2CCC=CO2)cc1)n1cncn1 194130904 DCZQDAGZVBKPTA-BBRMVZONSA-N 327.388 2.582 0 50 EFAA CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 195326674 WRQNNUDXAFKXOW-KBPBESRZSA-N 334.441 2.764 0 50 EFAA O=C(NC[C@@H](O)C1CC1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 195569549 YANVIZJYDBEXKD-PWSUYJOCSA-N 338.276 2.638 0 50 EFAA Nc1ccnc(CN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)n1 246465682 FSIHJWQOILTBAM-ZWKOTPCHSA-N 337.471 2.545 0 50 EFAA Cc1ccccc1OC1CN(C2CCN(C(=O)C3CCC3)CC2)C1 1506396343 GVVFPODHDLXZCV-UHFFFAOYSA-N 328.456 2.849 0 50 EFAA C[C@H]1Oc2ccc(NC(=O)c3ccc4nccnc4c3)cc2N(C)C1=O 1506405753 CCKSKSVKJUPZRV-LLVKDONJSA-N 348.362 2.626 0 50 EFAA Cc1noc([C@H](C)NS(=O)(=O)c2cc(Cl)sc2Cl)n1 330438450 SERNZJCJUMYWQK-BYPYZUCNSA-N 342.229 2.786 0 50 EFAA COc1cccc(CCC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 1775980456 XYRMOUJBUQGTPP-HXUWFJFHSA-N 339.439 2.858 0 50 EFAA Cc1ccc(F)cc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 1772710348 UOEGAMJZPRDNSH-UHFFFAOYSA-N 328.387 2.853 0 50 EFAA CN1CC[C@@H]2CN(C(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]2C1=O 1772812390 HNONOORCYHWNJI-MFKMUULPSA-N 341.333 2.647 0 50 EFAA COC[C@@H](NC(=O)c1c(Cl)ccc2ncccc12)c1ccnn1C 1775980402 AICVNNLSZHUEED-CQSZACIVSA-N 344.802 2.739 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2cc(-c3ccccn3)no2)CCC1=O 1775979727 OMTPTYPKCMBJEB-HNNXBMFYSA-N 342.443 2.815 0 50 EFAA O=C(NC1CCOCC1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772809226 PPFFMBBIHCWRCC-CYBMUJFWSA-N 343.452 2.605 0 50 EFAA COc1ccc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1O 11661885 APIJGNNOCOSFBA-CQSZACIVSA-N 332.444 2.672 0 50 EFAA O=C(Nc1ccccc1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12315734 UFLYFVQXDZDGNQ-MRXNPFEDSA-N 327.359 2.748 0 50 EFAA C[C@@H](Cc1cccnc1)NC(=O)c1cn(C2CCCCCC2)nn1 12318260 JYOLTIQCAHSZHZ-AWEZNQCLSA-N 327.432 2.929 0 50 EFAA O=C(Cn1cccn1)NCc1cccnc1Oc1ccc(F)cc1F 12438457 SVISEKSECVSUPG-UHFFFAOYSA-N 344.321 2.665 0 50 EFAA CN(Cc1ccon1)C(=O)c1coc(COc2cccc(F)c2)n1 12712657 UASDUZFDSVFJJY-UHFFFAOYSA-N 331.303 2.653 0 50 EFAA CC(C)OCCCNC(=O)c1cn(Cc2cccc(Cl)c2)nn1 14970493 AFNPDGKGZAGPIU-UHFFFAOYSA-N 336.823 2.525 0 50 EFAA COCCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 19800195 KQJSTAUXKLEDPF-UHFFFAOYSA-N 328.347 2.920 0 50 EFAA COc1ccc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)c(Cl)c1 1857530084 TUFCQCWOFJKUHQ-DYVFJYSZSA-N 335.835 2.950 0 50 EFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668764 OXRQNSQIIHQIHD-MAUKXSAKSA-N 337.847 2.520 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc3[nH]c(C)c(C)c3c1)C2 1857678243 JXALNSUWGFNRGB-IBGZPJMESA-N 341.411 2.842 0 50 EFAA CNC(=O)CCCn1cc(-n2ccnc2-c2cc(C)cc(C)c2)cn1 1857688702 XFWYSVYIJHILNZ-UHFFFAOYSA-N 337.427 2.879 0 50 EFAA O=C(NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 100398444 SUSZGVYSZDCKOU-NXEZZACHSA-N 341.194 2.813 0 50 EFAA O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)OC1CCCCC1 2556680 FRMQHBWAORFCPR-HNNXBMFYSA-N 349.383 2.632 0 50 EFAA in-vitro CC[C@H](NC(=O)C(=O)Nc1cc(C)nn1C)C(C)(C)c1ccccc1 119256521 ANDPLTZGCQMPTN-HNNXBMFYSA-N 342.443 2.540 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=O)C[C@H](C)NC(=O)C1CCCC1 120263355 SAMGZVZJBFKSQO-LBPRGKRZSA-N 332.400 2.717 0 50 EFAA COc1cc(C)c(CN2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)n1 643707795 GGWBTHNFUNYISJ-KRWDZBQOSA-N 341.459 2.900 0 50 EFAA O=C(O)C[C@@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Cl 656714132 WQWHBFRAEIAAIP-LBPRGKRZSA-N 349.811 2.638 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2C2CCCC2)C1 252585138 GKKRMTIVFVESCV-XHSDSOJGSA-N 342.505 2.706 0 50 EFAA C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@H](C)[C@@H](C)Oc1ccccc1 252512333 PJHNABBCBJTEQL-KONPQCLYSA-N 333.476 2.824 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@@H]1COc2ccc(Cl)cc21 365179750 XQERFEYOCYQVJB-GFCCVEGCSA-N 331.759 2.808 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](c2ncc[nH]2)C1 263903669 GKLBAEVRBCNAMD-QZTJIDSGSA-N 338.455 2.780 0 50 EFAA CCc1cccnc1C(=O)NCC(=O)Nc1ccc(C)cc1Cl 390834742 VTZWARXKSGOWTQ-UHFFFAOYSA-N 331.803 2.974 0 50 EFAA C[C@@H](O)c1ncc(CN2CCC(CN)(c3ccccc3)CC2)s1 904458955 LFBSQUOZEKZBDE-CQSZACIVSA-N 331.485 2.689 0 50 EFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1conc1C(F)(F)F 834740770 XCVVHPVTOZHIQB-QMMMGPOBSA-N 344.293 2.573 0 50 EFAA C[C@@]1(CNc2nc(-c3ccccn3)nc3sccc23)CCC(=O)N1 858566106 KZMIOICGWTWWBX-KRWDZBQOSA-N 339.424 2.834 0 50 EFAA C=CC(=O)N(C)CC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 859483855 MSJDGDCHYXQDKV-UHFFFAOYSA-N 330.306 2.519 0 50 EFAA Cc1nc(C)c([C@H](C)N(C)C(=O)Cn2ncc3cccnc32)s1 874441178 ZYCWPJWMAYFIAL-NSHDSACASA-N 329.429 2.724 0 50 EFAA CCc1nnc([C@H]2CCCN(Cc3ccc4c(c3)nnn4C)[C@H]2C)o1 952852935 PTUCIVJJJUETEQ-JSGCOSHPSA-N 340.431 2.682 0 50 EFAA Cc1ccoc1CNC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1 952852967 RTAWOKFTBDGDBJ-KUHUBIRLSA-N 342.443 2.553 0 50 EFAA O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320289 OFNQITSJNSGRDX-MNOVXSKESA-N 342.317 2.961 0 50 EFAA Cc1cc(C)n(-c2ccc(Cn3c(C(C)(C)C)noc3=O)cc2)n1 1875391508 JYTFLPAPAMREMX-UHFFFAOYSA-N 326.400 2.985 0 50 EFAA O=C(O)Cc1cccc(CNC(=O)C[C@H]2CCc3ccccc3N2)c1 1875307574 RDJGNKGBDRACEC-QGZVFWFLSA-N 338.407 2.747 0 50 EFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCn2nncc2C1 1875306320 ACQALTFOXATTFC-NSHDSACASA-N 338.333 2.518 0 50 EFAA Cc1nn(CC(F)(F)F)cc1NC(=O)C1(c2ncccc2F)CC1 1875404370 GSCJXBNYSKCCHO-UHFFFAOYSA-N 342.296 2.958 0 50 EFAA FC(F)c1nnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)o1 293070414 NLMBWHWAAIYPQT-ZDUSSCGKSA-N 338.358 2.710 0 50 EFAA CCc1[nH]nc(NC(=O)C[C@H](C)NC(C)=O)c1-c1ccc(F)cc1 2100545225 KIFOGDUMPLYRGG-JTQLQIEISA-N 332.379 2.631 0 50 EFAA O=C1C[C@H](c2ccccc2)N(C(=O)[C@@H]2C[C@]23CCc2ccccc23)N1 2325781759 HKRWDPWYJHVLLO-UEXGIBASSA-N 332.403 2.895 0 50 EFAA C[C@@H]1CC[C@@H](CN)CN1C(=O)CCc1c(Cl)cncc1Cl 2325797588 HFPYDDGHZKDVPY-MNOVXSKESA-N 330.259 2.907 0 50 EFAA Cc1nn(CC(=O)N2Cc3ccccc3[C@H](N)C2)cc1-c1ccccc1 2325860068 WMEBYWIDIQNJMZ-HXUWFJFHSA-N 346.434 2.901 0 50 EFAA CC(C)(C)c1cccc(CCNC(=O)c2cncc(-n3ccnc3)n2)c1 2325870638 IIYLRTVKEMLYFV-UHFFFAOYSA-N 349.438 2.932 0 50 EFAA CCc1ccc([C@@H]2CCCCCN2C(=O)c2cn(C)c(=O)n2C)o1 900793774 XTAWEFKHLIORTG-AWEZNQCLSA-N 331.416 2.637 0 50 EFAA O=C(O)c1ccc(-n2nnnc2SCc2ccccc2F)cc1 80619 ZTKZQYVWQKJBKX-UHFFFAOYSA-N 330.344 2.792 0 50 EFAA O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 302714 IDFOFXFCPZECRD-OAHLLOKOSA-N 335.285 2.583 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(C)cc1 431464 FWXBUTRTLUWXJO-KRWDZBQOSA-N 329.396 2.966 0 50 EFAA O=C(c1ccco1)N1CCN(C(=S)Nc2cccc(F)c2)CC1 468730 VMNBOPFIRBYDIU-UHFFFAOYSA-N 333.388 2.574 0 50 EFAA CCOc1cc(C=O)cc(Br)c1O[C@H](C)C(=O)OC 612910 KESJREQXWPBFRJ-MRVPVSSYSA-N 331.162 2.601 0 50 EFAA CCOC(=O)N(CC)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 2900746 BRDLCWHSHREIJW-CQSZACIVSA-N 349.305 2.592 0 50 EFAA c1ccc2c(c1)CC1(CO2)CN([C@@H]2CCOC3(CCOCC3)C2)C1 2356165807 PGIKEQWDBOVBSH-QGZVFWFLSA-N 329.440 2.652 0 50 EFAA COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 4122251 YCRCKIMAJAEZSN-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA C[C@@H]1CN(CCC2CCN(CC[C@H]3CCCN3C)CC2)C[C@@H](C)O1 245728395 VQHJOKNVJBIIKU-QWFCFKBJSA-N 337.552 2.682 0 50 EFAA CCCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl 4988132 SNNKGKDZWVSKPM-RYUDHWBXSA-N 347.864 2.927 0 50 EFAA COc1ccc(C(NC(=O)[C@@H]2CCCN2)c2ccc(OC)cc2)cc1 6457654 OYJOLJUIMPKTKZ-SFHVURJKSA-N 340.423 2.661 0 50 EFAA O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 6704124 RBMMHNKNINQKBN-INIZCTEOSA-N 338.407 2.777 0 50 EFAA C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[C@H]1O 225467020 PAXOZKRRVZBWSD-QMTHXVAHSA-N 332.213 2.670 0 50 EFAA O=C(N[C@@H]1COc2ccccc21)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 110587298 AZDFRKAPSGTBFY-ZMSDIMECSA-N 342.439 2.665 0 50 EFAA OCCNCc1cc2cc3c(cc2nc1OCc1cccnc1)CCC3 20534841 CEYRQKRPJUPSIX-UHFFFAOYSA-N 349.434 2.779 0 50 EFAA CN(C)c1nc2c(c(N[C@@H](c3nccn3C)C3CC3)n1)CCCC2 65410582 WYYFXTGXUPMFOD-OAHLLOKOSA-N 326.448 2.718 0 50 EFAA COc1ccc(CN(Cc2cccc(C)c2)C(=O)CNC(C)=O)cc1 55342635 WNOURZLNJJVSCN-UHFFFAOYSA-N 340.423 2.669 0 50 EFAA 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326.425 2.782 0 50 EFAA Cc1ccc2nc(CNC(=O)CN3CCc4ccccc4C3)[nH]c2c1 670456499 IKBAAHIXRTUOIA-UHFFFAOYSA-N 334.423 2.546 0 50 EFAA Nc1ccc(O)cc1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 670468754 SQQJIJLDFVRLMV-AWEZNQCLSA-N 343.402 2.508 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)C1 952872080 HSEAWRHPUKKXBZ-CQSZACIVSA-N 332.429 2.898 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)NC1CCC(C(=O)O)CC1 268921429 BJPDKVWNXSXVRJ-UHFFFAOYSA-N 325.792 2.787 0 50 EFAA COc1ccc(CNc2ncnc(N)c2Cl)cc1OC(F)F 302776448 FNSFCVIXABAQSU-UHFFFAOYSA-N 330.722 2.934 0 50 EFAA Cc1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)c(C)cc1Cl 408481678 JAXMDLXIDNJTHJ-LBPRGKRZSA-N 345.848 2.586 0 50 EFAA COC(=O)[C@H](NC(=O)c1cn(C)nc1C)c1ccc2ccccc2c1 170594040 BACLCXFNRNESCC-QGZVFWFLSA-N 337.379 2.526 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCCc3ccc(F)cc32)cnn1C 275363565 LYTVDJISBVZQIB-YJBOKZPZSA-N 343.402 2.925 0 50 EFAA CC1(C)CN(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)C[C@@H]1O 279117982 LGIONNANOCGERH-INIZCTEOSA-N 342.443 2.997 0 50 EFAA 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2.726 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)CCn3ccnc3)C2)c1 77319120 TURAEDVHNDFFAL-INIZCTEOSA-N 343.427 2.599 0 50 EFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 363334065 TVUKTIBVXARNJS-QGZVFWFLSA-N 334.435 2.912 0 50 EFAA CC(=O)NCCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 363386843 VPVDZAQDVHAUBP-CQSZACIVSA-N 343.349 2.688 0 50 EFAA O=C1C[C@@]2(CCN(C(=O)c3ccccc3OC3CCCCC3)C2)CN1 333371535 ZOVVHYBUWJTIHJ-FQEVSTJZSA-N 342.439 2.750 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@H](COc2cccc(F)c2)C1 77299083 KJQCRRUFYZCPDN-LBPRGKRZSA-N 335.404 2.917 0 50 EFAA CSC[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 173632678 NJYBASNISPPMAX-GOEBONIOSA-N 334.485 2.797 0 50 EFAA Cc1cc([C@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c(C)s1 156675843 CPFMKSCGIOCJPO-GWCFXTLKSA-N 346.518 2.506 0 50 EFAA CN1C[C@]2(CCCN(Cc3ccc(CCC(C)(C)O)cc3)C2)OC1=O 72480023 DQCBHRBMLGGGSN-FQEVSTJZSA-N 346.471 2.807 0 50 EFAA CCOC(=O)c1c(NC(=O)[C@@H](C)n2cncn2)sc2ccccc12 241383359 MUQYOCLXCZRMTI-SNVBAGLBSA-N 344.396 2.869 0 50 EFAA 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EFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2c(C)noc2C)C1 243956753 CDLKMSXHCQDLMJ-INIZCTEOSA-N 327.428 2.819 0 50 EFAA Cc1cc(C)nc(CN(C)CC(=O)NCCc2ccc(F)cc2)c1 252493396 NBIDZFXUBGFPBW-UHFFFAOYSA-N 329.419 2.628 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 299739706 ADBIDMURGOSRAO-LBPRGKRZSA-N 334.372 2.562 0 50 EFAA C[C@H]1CCCCN1C1CN(CCCOc2ccc(C(=O)O)cc2)C1 252507816 WUHIMYDMEWUENY-HNNXBMFYSA-N 332.444 2.712 0 50 EFAA COCCN1C[C@@H](Cc2cc(C)nc3c(F)cc(F)cc23)CC1=O 252484311 FUFGALLOYNTEEL-LBPRGKRZSA-N 334.366 2.859 0 50 EFAA CC1(C)CN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CCO1 299788372 UUFSNPKBVKYHDH-KSZLIROESA-N 328.456 2.849 0 50 EFAA CC[C@H](NC(=O)CSc1nnc(N)s1)c1nc(C)c(C)s1 299766767 RUZLLVRFZGGZCZ-QMMMGPOBSA-N 343.503 2.553 0 50 EFAA CCCOc1cccc(CCNC(=O)N2CCO[C@H](C3CC3)C2)c1 486287339 WYZLSZGDYLUSPB-SFHVURJKSA-N 332.444 2.838 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)NCc1cc(C3CC3)on1)C2 584886284 DDVJGEGXOOMGGH-UHFFFAOYSA-N 327.384 2.829 0 50 EFAA 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COc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 19773691 VFGMWLZEKCNTLP-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA O[C@H]1C[C@@H]2CN(Cc3cccc(OCCCn4ccnc4)c3)C[C@@H]2C1 1857680078 GHTNCDJZUUEZSP-BWTSREIZSA-N 341.455 2.555 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3nc(C4CC4)no3)CC2)O1 1857700725 KPHZIJSSKDRPBT-HUUCEWRRSA-N 349.475 2.868 0 50 EFAA O=C1C[C@@H](Cn2ccnc2-c2cccc(O)c2Cl)CN1C1CC1 1857702032 WWXXMQYRXCGGAL-NSHDSACASA-N 331.803 2.920 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)[C@H](C)Oc2cccnc2)c(Cl)c1 117634547 XIADETUGKKCNOJ-LBPRGKRZSA-N 347.802 2.566 0 50 EFAA O=C(CC1CC1)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 408520023 MDKCOTWLMJJEKI-LBPRGKRZSA-N 344.224 2.656 0 50 EFAA CCc1nc(CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)n[nH]1 458519523 RSGJOJNMMBYPJL-NXEZZACHSA-N 333.358 2.535 0 50 EFAA CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CCCOC1 132902097 BYWRPZVCSAIZHZ-BLLLJJGKSA-N 326.824 2.825 0 50 EFAA O=C(COc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 345598506 BTFCDIJBVMUCKM-SUMWQHHRSA-N 333.334 2.678 0 50 EFAA 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O=C([C@H]1CCC[C@@H](C(=O)N2CCCCCO2)C1)N1CCCCCO1 329952928 NLSXTTISPIQLAC-IYBDPMFKSA-N 338.448 2.681 0 50 EFAA O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1Cn1cncn1 363572454 FKDWCRHTOUKVII-NSHDSACASA-N 339.321 2.993 0 50 EFAA Cc1ccnc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc12 375649712 GBYVDEUJVIWMGL-IBGZPJMESA-N 345.402 2.596 0 50 EFAA CCOC(=O)N1CCN(CC(=O)Nc2cccc3ccccc23)CC1 36075362 KEMKOMWKQUXQAA-UHFFFAOYSA-N 341.411 2.552 0 50 EFAA Cn1cc(N2CC[C@@H](NCc3ccc(Cl)c4cccnc34)C2)cn1 367697470 JVSFBDVXCISYJA-CQSZACIVSA-N 341.846 2.990 0 50 EFAA Cc1nc2sccn2c1CN(C)Cc1nc(-c2ccccn2)no1 77471373 MKCHLOXHJRIHKV-UHFFFAOYSA-N 340.412 2.781 0 50 EFAA C[C@@H]1C[C@@H](C)N(C(=O)c2ccon2)C[C@@H]1CNC(=O)OC(C)(C)C 496472243 NPKCSUWKZLKDGZ-UPJWGTAASA-N 337.420 2.686 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c2c(C(C)C)noc2n1 371308744 RLTCXOVQPBZAOI-NSHDSACASA-N 339.399 2.665 0 50 EFAA Cn1cc(CNC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)cn1 242339279 ZGNHCGTYDFNYQG-KRWDZBQOSA-N 329.444 2.848 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cc2)c(C)c1Cl 237659808 MHNRWFQDAZRXRQ-AWEZNQCLSA-N 347.802 2.832 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCc2c[nH]nc2C)c1 449420375 FGWRKRBCCDVWRY-UHFFFAOYSA-N 329.278 2.555 0 50 EFAA CC[C@H](C)c1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)on1 241776771 RSJSOQVPDNWKQY-IAOVAPTHSA-N 349.475 2.686 0 50 EFAA Cc1cc(NC(=O)NC2CCC(C(=O)O)CC2)nn1[C@H](C)C1CC1 263085252 RSLCPKACVXUCGS-LMWSTFAQSA-N 334.420 2.927 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)n(C)n1 82137632 TXMZMPWHPUZLSF-CYBMUJFWSA-N 326.322 2.972 0 50 EFAA COC(=O)CN(C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1 20206000 DPYSQGFMWMYUSL-UHFFFAOYSA-N 342.330 2.547 0 50 EFAA COC(=O)c1ccc2c(c1)CCN2C(=O)CSC[C@@H]1CCCCO1 263911409 WBFVOMWZAQHXMO-HNNXBMFYSA-N 349.452 2.665 0 50 EFAA CN(C)Cc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1 48501642 FKNLLIUUHRHKRP-UHFFFAOYSA-N 347.507 2.549 0 50 EFAA Cc1cc(N2CCN(C(=O)C[C@@H](C)n3ccnc3C)CC2)cc(C)n1 82161278 DGIOMEZVSNFYMF-MRXNPFEDSA-N 341.459 2.503 0 50 EFAA COCCC[C@@]1(CO)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 91645762 ZPCCDHJXDHBIDI-IBGZPJMESA-N 349.446 2.885 0 50 EFAA O=C(NCCSCc1ccccc1F)N[C@@H]1CCc2[nH]ncc2C1 178483265 QXLLYNZYYXRCFI-CQSZACIVSA-N 348.447 2.639 0 50 EFAA FC(F)(F)c1ccnc(N2CCC(CCn3cccn3)CC2)n1 92065878 JTIVTQUOCNOYEC-UHFFFAOYSA-N 325.338 2.999 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(=O)N3)no1 96149372 GXRMJIDGLADFOP-OAHLLOKOSA-N 326.356 2.847 0 50 EFAA O[C@H]1CCN(c2ccnc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 97475668 GTKGEATUHWMYEH-JTQLQIEISA-N 327.281 2.873 0 50 EFAA Cc1ncc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(=O)[nH]1 92061972 UJDHOUSAJPBSEZ-UHFFFAOYSA-N 347.418 2.963 0 50 EFAA CC[C@H](NC(=O)c1cn2cc(Cl)cnc2n1)c1ncccc1C 426487742 YYEBCUDDBYXUHE-LBPRGKRZSA-N 329.791 2.967 0 50 EFAA O=C1C[C@@H](c2nc(-c3cn4ccccc4n3)no2)CN1C1CCCC1 96179503 CVQBGBUHQTVPMX-GFCCVEGCSA-N 337.383 2.643 0 50 EFAA Cc1nc(CCNc2nccc(-c3ccncc3)n2)nc2c1CCC2 96153170 DRRRAGBVXLKERO-UHFFFAOYSA-N 332.411 2.780 0 50 EFAA Cc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3O)c2cccnc2n1 95363184 MPCMXADOVSXLTI-GOSISDBHSA-N 346.434 2.788 0 50 EFAA COCCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C)C2 92107328 XLNOGTMFGKDSEW-GOSISDBHSA-N 346.471 2.971 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(Cc2ccon2)C1 91966024 COMVMTAPIJPPQH-GOSISDBHSA-N 328.368 2.775 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)Cc2cccnc2)c1 92077524 ANTILAPSHMEGJR-ZDUSSCGKSA-N 336.395 2.841 0 50 EFAA CC(C)c1nncn1CCNC(=O)c1scnc1C1CCCC1 183686527 DLAZXVYOUBMOAQ-UHFFFAOYSA-N 333.461 2.946 0 50 EFAA C[C@@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 184652279 XHIQQBFXFYCDKB-SJLPKXTDSA-N 330.472 2.972 0 50 EFAA COC[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccn1 534582610 KNMDGTYLPBWTHA-INIZCTEOSA-N 330.359 2.688 0 50 EFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cc2c(nc1O)CCC2 299799119 QOMLLFAAOPENBR-ZDUSSCGKSA-N 338.407 2.647 0 50 EFAA COc1ccc2[nH]c(CCN(C)C(=O)C(C)(C)n3cccc3)nc2c1 299760157 SDTSUOIESDOQLF-UHFFFAOYSA-N 340.427 2.809 0 50 EFAA NCCCOc1ccc(C(=O)N2CC(c3ccncc3)C2)cc1Cl 299786538 MYHGGKUDKIGMBR-UHFFFAOYSA-N 345.830 2.702 0 50 EFAA COCc1c(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)noc1C 299800142 VJVMGGDMMFCYCO-OAHLLOKOSA-N 346.431 2.719 0 50 EFAA O=C(O)c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@@H](CO)C1 299790918 CXTIZCXXUJFRGE-GFCCVEGCSA-N 330.359 2.795 0 50 EFAA CCOc1ncccc1CNc1cc([C@@H]2CCOC2)nc(COC)n1 299785191 JMRJWGAXBKSYKN-CQSZACIVSA-N 344.415 2.533 0 50 EFAA OCCn1nc(Cc2cccnc2)nc1-c1scc2c1CCCC2 670471711 WJLVMBRTRUWZEL-UHFFFAOYSA-N 340.452 2.864 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 163262138 QVVNOUGRKISPBY-QGZVFWFLSA-N 341.415 2.562 0 50 EFAA O=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21 59182570 ZGWRYMWYEXGDNI-UHFFFAOYSA-N 328.180 2.975 0 50 EFAA in-vitro CC(C)[C@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 170046789 OTXDTAZXINVQHK-KGLIPLIRSA-N 330.350 2.589 0 50 EFAA C[C@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cn2)C[C@@H](C)O1 279604589 DXBNMQXPSNLNTO-OUAUKWLOSA-N 342.237 2.724 0 50 EFAA CCOc1nc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)co1 681296366 WOMOXVZSBPBZIA-ABAIWWIYSA-N 334.347 2.815 0 50 EFAA CCc1ncc(NC(=O)N2CCC(Nc3nccs3)CC2)cn1 189211666 HQDQXRMQNXLOFW-UHFFFAOYSA-N 332.433 2.604 0 50 EFAA CCOc1ccc2c(c1)[C@@H](NC(=O)Nc1cn(C)nc1C)CCO2 189683950 WDBCBYMZWQGUBS-AWEZNQCLSA-N 330.388 2.773 0 50 EFAA CCc1cc2c(NCc3nc(C(N)=O)cs3)nc(C)nc2s1 641660406 AFNQHCVTVIVHEN-UHFFFAOYSA-N 333.442 2.730 0 50 EFAA Cc1nc(CN2CCCN(C(=O)C3CCCCC3)CC2)n(C)c1C 1529167864 PUHBYTQZYITYSJ-UHFFFAOYSA-N 332.492 2.652 0 50 EFAA CCN(CC)S(=O)(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529185676 OSYFCEQITMTIOD-SJORKVTESA-N 340.489 2.671 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCc2csc(-c3ccccc3)n2)CC[C@@H]1O 1704312751 YMJNMLMPZZCGNE-VNQPRFMTSA-N 346.452 2.602 0 50 EFAA CC(=O)N1CCC(N2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)CC1 216806012 XKMDXTDMTZAOOL-FPOVZHCZSA-N 341.499 2.594 0 50 EFAA O[C@@H]1C[C@@H]2CN(Cc3cccc(OCCN4CCCCC4)c3)C[C@@H]2C1 1800413204 DEKXQXZJEXZLTA-ACDBMABISA-N 344.499 2.754 0 50 EFAA CCC[C@@](C)(N)C(=O)NCc1cc(Br)ccc1OC 262707237 NFEHPHNHSRYPRB-CQSZACIVSA-N 329.238 2.591 0 50 EFAA CCCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)CC1CC1 11935554 GQCUFADSDXDZHZ-UHFFFAOYSA-N 327.494 2.565 0 50 EFAA COC[C@H]1CCN(C(=O)c2cc(COc3c(C)cccc3C)on2)C1 12072818 AERZFVCWYBMRCD-HNNXBMFYSA-N 344.411 2.979 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12242344 PGSAUEXQMHKXKJ-LBPRGKRZSA-N 339.848 2.940 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNCC1CCCCC1 12438254 IYDIWMVAUHJTJO-HXUWFJFHSA-N 348.462 2.849 0 50 EFAA O=C(CSc1nc(O)cc(O)n1)Nc1ccc(Cl)cc1Cl 13324104 IFCFPPDUQYJZCD-UHFFFAOYSA-N 346.195 2.925 0 50 EFAA COCCSc1nnc(C2CCN(Cc3ccoc3)CC2)n1C 14969407 VLINRIVIQGSLIL-UHFFFAOYSA-N 336.461 2.526 0 50 EFAA CCc1ccc(CN(C)c2ccc(-c3nc(COC)no3)cn2)nc1 19114095 HTYGGKUJJGRTNB-UHFFFAOYSA-N 339.399 2.872 0 50 EFAA Fc1ccc(COc2ccccc2CNCCN2CCOCC2)cc1 19872025 BYLYOENKGMNAIY-UHFFFAOYSA-N 344.430 2.827 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1F)CCCC2 169755653 PCMRQCZJOUJDCV-UHFFFAOYSA-N 334.322 2.724 0 50 EFAA COCc1cccc(C=Cc2nc(C)c(CCC(=O)O)c(O)n2)c1 1857533240 RYJMEEOKQXWRDJ-UHFFFAOYSA-N 328.368 2.825 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 237490667 WSQYWXBIZMXBKY-AAEUAGOBSA-N 330.350 2.856 0 50 EFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]1C(=O)O 237488881 NWXSEPAMXYCWIH-ZWNOBZJWSA-N 329.318 2.960 0 50 EFAA CNC(=O)[C@H](C)CN(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 129732602 MCCCJPRJWLDKDB-MRVPVSSYSA-N 336.741 2.813 0 50 EFAA CCn1cc([C@H](C)NCc2cc(Br)cnc2OC)cn1 660741286 PBCPSSOVOHRIJO-JTQLQIEISA-N 339.237 2.920 0 50 EFAA CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCOC2 664052717 LTNZLPDPHFMBEB-UHFFFAOYSA-N 327.428 2.783 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 345626977 SCWOOACQTUNPMI-SWLSCSKDSA-N 347.317 2.642 0 50 EFAA COC(=O)C[C@H]1CSCCN1C(=O)c1ccc2nc(C)ccc2c1 134174227 RNKDBZZYQVSLNW-HNNXBMFYSA-N 344.436 2.664 0 50 EFAA Cc1ccc(CC2(O)CCN(C(=O)C[C@H]3CCCCO3)CC2)cc1 364792498 ZRJOAIXOUJMMTN-GOSISDBHSA-N 331.456 2.850 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc2nc[nH]c2c1 900207930 YRKMYLAAJGRUSI-UHFFFAOYSA-N 337.305 2.517 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ncc(C)cc2C)cn1 926718256 KYVSCLCDTHIJOB-JKSUJKDBSA-N 328.416 2.645 0 50 EFAA C=CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1120459103 FCSUMDNFLQIFJP-ZDUSSCGKSA-N 326.318 2.671 0 50 EFAA Brc1ccc(-c2noc([C@H]3CCCc4nn[nH]c43)n2)o1 952894524 NPHNZNRUDAQVDP-LURJTMIESA-N 336.149 2.678 0 50 EFAA CO[C@H]1C[C@H](n2nnnc2N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)C1 952878987 LDIYHLIUTJHEMS-HJWJTTGWSA-N 327.432 2.714 0 50 EFAA COC(=O)[C@@]1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 1875288552 LUXLFKSONBHJLU-CQSZACIVSA-N 346.305 2.501 0 50 EFAA Cc1ccc(NCc2cccnc2O)cc1S(=O)(=O)NC(C)(C)C 1875284858 QVTWYUCYFPMBHQ-UHFFFAOYSA-N 349.456 2.785 0 50 EFAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2nc(C)n(C)n2)cs1 1875292963 XYNXSIRCMZZLAV-UHFFFAOYSA-N 339.424 2.758 0 50 EFAA N=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)CCOc2ccccc2)C1 1875395315 AMWDBPQWHHOBGD-SBUREZEXSA-N 336.457 2.657 0 50 EFAA CO[C@H](C)c1cn(-c2cccc(CNC(=O)C3=CCCC3)c2)nn1 1875323678 PEFXPJPCCRTGSE-CYBMUJFWSA-N 326.400 2.701 0 50 EFAA CCOc1nccnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 896931676 LXWNIUSVZJNGJV-UGSOOPFHSA-N 341.415 2.694 0 50 EFAA O=C(CN1CCN(Cc2ccccc2)CC1)NCCC1=CCCCC1 20466995 GWEFJXFMFDQRCW-UHFFFAOYSA-N 341.499 2.811 0 50 EFAA Cn1nnc(-c2ccccc2)c1CN1CC[C@H](Cc2ccccn2)C1 2325794546 GVISSJZNJNJGJX-MRXNPFEDSA-N 333.439 2.942 0 50 EFAA COc1ccc(Cl)cc1NC(=O)Cn1cnc2ccccc2c1=O 104788 HSJZUAQHUTZXBA-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccccc2)C(=O)OC(C)(C)C(C)(C)C1=O 315309 PLCXHBPPQGVIKL-IBGZPJMESA-N 332.396 2.709 0 50 EFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1 2356159707 NJLRCIWXIAVFAR-SMDDNHRTSA-N 344.798 2.726 0 50 EFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 4694840 GYQQCYUTGJCZKK-YTDSJMIDSA-N 331.802 2.999 0 50 EFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 225741900 RGZAGULTKCBAEZ-HUUCEWRRSA-N 332.444 2.575 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCN2Cc2ncccc2C(=O)O)s1 65490040 XWKPFCADUJDFTN-CYBMUJFWSA-N 345.424 2.538 0 50 EFAA CCc1ccccc1C(=O)NC[C@H]1CCCN(Cc2nc[nH]c2C)C1 67909900 ILCZJJDJLGFXPI-MRXNPFEDSA-N 340.471 2.923 0 50 EFAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@@H](O)c1ccco1 252477665 SGKOCOBFGGLIKD-XMTFNYHQSA-N 341.407 2.909 0 50 EFAA Cn1ccnc1CN(Cc1cc(=O)n2c3c(cccc13)CCC2)C1CC1 67712750 ICRHGZOFBILWQE-UHFFFAOYSA-N 348.450 2.846 0 50 EFAA CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(-n2ccnc2)nc1 363545567 LKQRYCCWQQQWIX-INIZCTEOSA-N 327.432 2.987 0 50 EFAA CSCC[C@@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)n1cccc1 409413581 IXWSSDCKUKTLGN-NSHDSACASA-N 331.401 2.799 0 50 EFAA CN(CCO)CCOCCOc1c(Cl)cc(Cl)cc1Cl 2975020 QBSQQYBLDDUJFZ-UHFFFAOYSA-N 342.650 2.966 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1CSCN1C 72424394 GFFQJJHVJYQQMB-AWEZNQCLSA-N 333.482 2.773 0 50 EFAA CC(C)c1noc([C@H](C)N2CC[C@@H](OCCN3CCCCC3)C2)n1 229946943 UTSNVVGNZUREQP-JKSUJKDBSA-N 336.480 2.831 0 50 EFAA Cc1cc(CS(=O)(=O)N2CCCC[C@@H]2Cc2ccccc2)on1 330132942 LSCPWFHEPWQBDU-MRXNPFEDSA-N 334.441 2.910 0 50 EFAA Cc1c(C(=O)N(Cc2ccccc2)C(C)C)nnn1C1CCNCC1 150690888 OHTUGWQOAFBYKS-UHFFFAOYSA-N 341.459 2.562 0 50 EFAA CO[C@@H](C)c1nc(=NCc2cc(C)nc(N3CCCC3)c2)s[nH]1 357621331 KJMJRGZQJULEEO-LBPRGKRZSA-N 333.461 2.583 0 50 EFAA CCc1cccnc1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 328588915 SSQNXVWJXADWAV-KDURUIRLSA-N 335.451 2.848 0 50 EFAA CN1CCC(N(Cc2ccncc2)Cc2cnn(C)c2C2CC2)CC1 72157849 LOLSCYQDWOJRLT-UHFFFAOYSA-N 339.487 2.789 0 50 EFAA Cc1nn(C)c2cc(NC(=O)Cn3ccc4ccccc4c3=O)ccc12 360532588 ZEYYTAWCERPHMI-UHFFFAOYSA-N 346.390 2.835 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc4c(C)cc(F)cc4[nH]3)CCO2)o1 328608760 BELWIHDVIMEXCB-OAHLLOKOSA-N 344.346 2.521 0 50 EFAA O=C(NCC(=O)N1CCc2ccccc21)N1CCC2(CCC2)CC1 367818910 QOSFKMIYINODIK-UHFFFAOYSA-N 327.428 2.551 0 50 EFAA CCN(CC)CCc1ccc(NC(=O)NCc2ccnc(C)n2)cc1 240786093 IAEQXKIEELESJH-UHFFFAOYSA-N 341.459 2.991 0 50 EFAA OCC(CO)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71415738 XEESFPXKPMSJRC-CYBMUJFWSA-N 331.378 2.703 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2cccc(F)c2)n1 72446911 OVJPTNCWDQJPDU-UHFFFAOYSA-N 332.383 2.590 0 50 EFAA C[C@@H](CN(C)C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)C(=O)O 237369194 HHZZGSOVSQLDAT-GQOHGMTASA-N 335.787 2.851 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c2c(C(C)C)noc2n1 333791771 DLIDOLJIBMAFDG-BYNSBNAKSA-N 339.395 2.680 0 50 EFAA C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)[C@H]1CN 237405495 JCLBCMASETVZRV-CJNGLKHVSA-N 345.418 2.999 0 50 EFAA O=C(O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 216627000 QEBWPPCVQYXGCJ-KRWDZBQOSA-N 336.347 2.666 0 50 EFAA biogenic Cc1ccc(N2CCN(C(=O)CCn3ccnc3C)[C@H](C)C2)cc1 77357723 UQLFWJAHNMEPTK-MRXNPFEDSA-N 326.444 2.627 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 237657288 STUKKOXTYLHVOV-SFHVURJKSA-N 335.375 2.689 0 50 EFAA COc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 263079881 UOLBLZCLINQCNF-DZGCQCFKSA-N 334.416 2.523 0 50 EFAA Cc1ccc([C@H](CN2CCOCC2)Nc2ncnc3[nH]ccc23)cc1 339238067 PFMDFGYZSQKYOW-KRWDZBQOSA-N 337.427 2.752 0 50 EFAA CC(C)Cc1noc(CN(C)C(=O)c2ccccc2[C@H]2CCNC2)n1 72171295 LATKNTOBZCWSQA-AWEZNQCLSA-N 342.443 2.617 0 50 EFAA O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc2ccccc2[nH]1 44901309 BUHZSIGCFJMXOU-UHFFFAOYSA-N 339.403 2.529 0 50 EFAA Cn1ncnc1[C@H]1COCCN1Cc1csc(-c2ccsc2)n1 285024936 ZVZJSOUKPOBQTI-CYBMUJFWSA-N 347.469 2.574 0 50 EFAA C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 17071368 DMOPVAZAUODJFO-VIFPVBQESA-N 341.335 2.733 0 50 EFAA CCCn1nc(C)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 20602701 JVEZWNXXNAPFGE-UHFFFAOYSA-N 327.388 2.645 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(C)cc3)[nH]n1)C2 426503433 RKFMKKQEGNCDOZ-HWWDLCQESA-N 325.412 2.882 0 50 EFAA Cc1ccccc1-c1noc(CCc2nc([C@@H]3CCOC3)no2)n1 96164684 JNISOTLRGJCWTM-GFCCVEGCSA-N 326.356 2.717 0 50 EFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)NCc1cnc2ccccn12 426618446 XLSPIBZNYPKITR-HNNXBMFYSA-N 339.399 2.986 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@]2(C)CCCO2)C3)c1 96149738 JTNSQCXANPAFOA-LJQANCHMSA-N 341.411 2.539 0 50 EFAA Cc1nn(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)cc1Cl 95364435 HXJOSRIPWAJLDL-OAHLLOKOSA-N 349.866 2.821 0 50 EFAA C[C@@H]1CN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CCCO1 179228211 DXEKECRPPSVTPR-ZIAGYGMSSA-N 344.415 2.661 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)CC3CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95390826 IQFFNTMCIYWPBX-CEWLAPEOSA-N 340.467 2.884 0 50 EFAA O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc(Cn2cccn2)on1 293117840 KFJYTJOXYSKMMK-AWEZNQCLSA-N 344.415 2.531 0 50 EFAA CSCc1nc(CNC(=O)c2cccc(CN(C)C)c2)cs1 97436778 JMGFLXIUUWBPOP-UHFFFAOYSA-N 335.498 2.998 0 50 EFAA CCCn1cc(C(=O)NC[C@H]2COc3cc(OC)ccc3C2)c(C)n1 95515268 ITXWXBZZNHTEAH-AWEZNQCLSA-N 343.427 2.591 0 50 EFAA C/C=C/CC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91445197 IUWXLJZNYDGFIB-NSCUHMNNSA-N 341.455 2.779 0 50 EFAA Cc1cncc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1 296771791 AJOYLHAHUPCLCO-OAHLLOKOSA-N 349.228 2.958 0 50 EFAA CCCn1nccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 183077209 FEHDNFLQLMMAKW-CYBMUJFWSA-N 344.390 2.732 0 50 EFAA Cc1cc(S(=O)(=O)N[C@@H]2CCOc3ccc(F)cc32)c(C)o1 183173687 JSPPEWMNJLUJKR-CYBMUJFWSA-N 325.361 2.838 0 50 EFAA Cc1cnc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c(C)c1O 253537385 TZHABTPLZBFWFP-OAHLLOKOSA-N 337.427 2.826 0 50 EFAA Cc1cc(-n2cnnc2)ncc1C[C@H]1CC(=O)N(c2ccccc2)C1 252483592 FFSJOMZHQPQMDB-HNNXBMFYSA-N 333.395 2.566 0 50 EFAA Cc1ccccc1[C@@H](CNC(=O)N1CCOCC1)N1CCC(C)CC1 534652177 PWEKBLKIUQOUOL-LJQANCHMSA-N 345.487 2.810 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)NCCc2ncc[nH]2)cc1 534578959 ABJBCEXFXNBZHA-QGZVFWFLSA-N 341.459 2.561 0 50 EFAA CCCN1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1=O 299790429 BHNKWJNBMIPCNT-JTQLQIEISA-N 347.312 2.977 0 50 EFAA CCn1c(CCNC(=O)CCc2n[nH]c(C)c2C)nc2ccccc21 299762205 LZJNQPIRDABXNR-UHFFFAOYSA-N 339.443 2.688 0 50 EFAA COc1cc2c(cc1CN1CC[C@]3(OC)CC[C@H](O)C[C@H]13)CCC2 299795304 LXTNHVQGOMSFRN-YSIASYRMSA-N 331.456 2.688 0 50 EFAA O=C(Cc1cccnc1)NCC1(c2cccc(F)c2)CCOCC1 299788120 RROJVAIHRXDDJZ-UHFFFAOYSA-N 328.387 2.628 0 50 EFAA Cc1ccnc(CC(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 670469820 KEFTYEOSNFDEGS-HNNXBMFYSA-N 329.469 2.775 0 50 EFAA CC(C)(C)OC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 55392749 AKFVZALISNAFRA-HNNXBMFYSA-N 336.432 2.752 0 50 EFAA in-vitro O=C1[C@@H]2CC[C@@H](CN(CCc3ccccc3)C2)N1Cc1cscn1 1565516226 TYNGFRZEHUCOFH-AEFFLSMTSA-N 341.480 2.809 0 50 EFAA Cc1cccnc1-c1noc(C2CCN(C(=O)N3CCCC3)CC2)n1 273777352 VEGMKBSCMJVKCG-UHFFFAOYSA-N 341.415 2.835 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc2cn[nH]c2c1 275243447 FTIXLMFTVMIHLF-YJBOKZPZSA-N 325.416 2.533 0 50 EFAA CCc1cc(N2CC[C@@H](Oc3ccccc3Cl)C2)n2ncnc2n1 301791153 ZIWDVZVJXWKENX-CYBMUJFWSA-N 343.818 2.998 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccccn1)C1CC1 187507871 MPJYBJKNCMPFJA-CYBMUJFWSA-N 326.400 2.920 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CC3)c2C)C1 189116416 REVQTHOLUHHGSD-GOEBONIOSA-N 344.415 2.733 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 189687880 BATHIYWYWNBIGE-NVXWUHKLSA-N 346.406 2.988 0 50 EFAA Cc1ccccc1CCN(C)C(=O)c1cnnn1Cc1ccccc1 650567479 WHKIYDPKTYQDNT-UHFFFAOYSA-N 334.423 2.950 0 50 EFAA CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc3cc[nH]c3c2)c1 194706917 PXEBSLAZZZIULT-UHFFFAOYSA-N 342.420 2.643 0 50 EFAA Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 661496058 LHJNIHCVOFDCKT-KKBFJZEXSA-N 334.435 2.868 0 50 EFAA Cc1cc(CC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)no1 666004445 VBSIZTOAPYAGAY-SFHVURJKSA-N 326.396 2.906 0 50 EFAA CC1(C)CCc2ncn(Cc3cc4ccccc4oc3=O)c(=O)c2C1 1651996879 STKKUIUHHQGSKH-UHFFFAOYSA-N 336.391 2.913 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC2(C)COC2)c1C 1506430316 YQQFYCIAUCUPLX-UHFFFAOYSA-N 325.474 2.916 0 50 EFAA O=C(COCc1ccccc1)N1CCCN(Cc2ccoc2)CC1 1529104286 NGWCLMZPAQLDQJ-UHFFFAOYSA-N 328.412 2.531 0 50 EFAA Cc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)O)cc1 184683 OTUROZGYSAUHMY-RIYZIHGNSA-N 325.320 2.579 0 50 EFAA O=C1C[C@@H](c2nnc3n2-c2ccccc2CC3)CN1Cc1ccccc1 1772805063 XOKPIVBSGPUDRE-QGZVFWFLSA-N 344.418 2.882 0 50 EFAA COc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2N)c1 11692980 CGNPALNTKJZRRX-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA c1ccc(CNc2nc3nonc3nc2NCc2ccccn2)cc1 12434608 PHCJITRUWWCYPG-UHFFFAOYSA-N 333.355 2.632 0 50 EFAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cn(C)nc2C)C1 12455023 GBBWOFXNIPLQPJ-CQSZACIVSA-N 345.418 2.971 0 50 EFAA CCCN1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 16605283 XATDJJXIOZJQKW-UHFFFAOYSA-N 331.243 2.926 0 50 EFAA CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC 22178 VMHBFJBWHUTTRT-PKNBQFBNSA-N 340.379 2.845 0 50 EFAA Cc1ncsc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709964099 BIIIESNHDQTNBY-GJZGRUSLSA-N 332.425 2.556 0 50 EFAA Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)on1 328630338 JGWRWPLIWSKRIJ-STQMWFEESA-N 337.420 2.729 0 50 EFAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCN2CCCC[C@H]2C1 241371256 MLSNFWOLSWEPIG-KBPBESRZSA-N 333.398 2.987 0 50 EFAA CCCS(=O)(=O)Nc1cccc(N[C@@H]2CCN(CC)C[C@H]2C)c1 241774201 RNWLWPAXTDBHDJ-RHSMWYFYSA-N 339.505 2.981 0 50 EFAA OC[C@@H](N[C@H]1COC2(CCC2)C1)c1ccccc1OC(F)(F)F 657999798 LZAVTBGYNOHVFF-DGCLKSJQSA-N 331.334 2.920 0 50 EFAA COc1ccccc1CNS(=O)(=O)c1cnc2ccccc2c1 252503232 UZTUYMRGBIALDF-UHFFFAOYSA-N 328.393 2.722 0 50 EFAA O=C(NCCc1ccc(OC(F)(F)F)cc1)C12CCC(CC1)N2 912395291 SJWZCRUTHFSZBH-UHFFFAOYSA-N 328.334 2.529 0 50 EFAA CC(=O)N(C)c1ccc(NC(=O)NCC[C@@H]2CCC(C)(C)CO2)cn1 931766037 UREODHWCZIYIIF-HNNXBMFYSA-N 348.447 2.781 0 50 EFAA COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(-c2cnco2)cc1 863947739 DOILYQXSRYCJGI-HNNXBMFYSA-N 345.399 2.729 0 50 EFAA C[C@]1(CNCc2cc(Br)cc3cccnc23)CCC(=O)N1 1875284191 PYSIGTHYKZJHJH-MRXNPFEDSA-N 348.244 2.756 0 50 EFAA CCOc1ccc(-c2cn(CCNC(=O)[C@@H](C)C3CC3)nn2)cc1 1875323619 NDBQNRFEAHOUCW-ZDUSSCGKSA-N 328.416 2.506 0 50 EFAA CN(C)CCc1ccc(CNC(=O)c2cncc3cnccc23)cc1 1875326141 BTSYULATZYNKRH-UHFFFAOYSA-N 334.423 2.664 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2C[C@@H](N)C[C@H](C(=O)O)C2)cc1 1875305880 LHNAWVYDWMAZLS-KBPBESRZSA-N 344.436 2.598 0 50 EFAA O=C1CCC2(CC1)C[C@@H]2C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 1875309218 YMEAQPVUJPNAAT-SQGPQFPESA-N 345.414 2.557 0 50 EFAA O=C1Nc2ccccc2[C@]1(O)CCNc1ccc(C(F)(F)F)cn1 877870834 GROVLCANCDSCOE-OAHLLOKOSA-N 337.301 2.742 0 50 EFAA COC[C@H]1CN(C(=O)/C=C(\C)c2ccc(OC)cc2)CC(C)(C)O1 886066069 VTONJIQNDSAJSU-IDKBZEPQSA-N 333.428 2.751 0 50 EFAA Brc1cnn(C2CCN(c3nccc4nc[nH]c34)CC2)c1 892444218 PGZMBBSSIHFAOU-UHFFFAOYSA-N 347.220 2.758 0 50 EFAA COc1ccccc1/C=C/CN[C@@H]1C[C@@]2(C[C@H]1O)CN(C)[C@@H]2C(C)C 1775956902 OZCFTUNYRAEOND-RHXBJOBGSA-N 344.499 2.778 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccccc1 100117514 SQNDFISJBNVFTJ-ZMYBRWDISA-N 330.380 2.780 0 50 EFAA Cn1cc(Nc2cccc(-c3nc(C4(C)CCNCC4)no3)c2)cn1 2325787496 CNENZZOHAGMWLL-UHFFFAOYSA-N 338.415 2.855 0 50 EFAA O=C(O)[C@]1(C(F)(F)F)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 901784999 AXDHOASTJYQAJN-HNNXBMFYSA-N 339.317 2.916 0 50 EFAA CCCn1c(O)nnc1S[C@@H](C)c1nc(-c2cccnc2)no1 2332237281 CBDCHQDYDHJHCH-VIFPVBQESA-N 332.389 2.692 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 121213 GFBWTSXBUQECMI-UHFFFAOYSA-N 332.381 2.648 0 50 EFAA COCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 2846798 SPYVUJSKUUMUCG-UHFFFAOYSA-N 342.420 2.696 0 50 EFAA COc1ccccc1OCCSc1nnnn1-c1ccccc1 2915064 HIRAWTRTDOPAKJ-UHFFFAOYSA-N 328.397 2.842 0 50 EFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 4502953 UNQDCXIOWJAGSM-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA O=C(O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 4839907 ADFFJWTXYKDKCL-UHFFFAOYSA-N 343.763 2.759 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 6702928 IXMRORIVXXSEKD-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA COc1ccc([C@@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)cc1Cn1cccn1 225429526 BRFRZIJBYFRKPT-UEILYKACSA-N 327.428 2.911 0 50 EFAA CCC(C)(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 9668490 LATOLFXGWSQEGP-UHFFFAOYSA-N 349.412 2.972 0 50 EFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C(N)=O)CC2)ccc1F 102622742 UNYUSELMLBBMIY-QDMKHBRRSA-N 330.403 2.637 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](C)c1cccc(OC)c1)CC2 246957949 FXWASTORUKIUOF-FHLIZLRMSA-N 347.455 2.577 0 50 EFAA COc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccncc1 67805476 GUIVYUBPEDCFEW-UHFFFAOYSA-N 342.380 2.515 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(N[C@H](C)Cc3cnccn3)c12 67983376 TWOZQYCAUNLWCW-MRVPVSSYSA-N 329.385 2.531 0 50 EFAA O=C(CN1CCCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65435644 JKEUFZCHFOONDJ-VQTJNVASSA-N 338.451 2.612 0 50 EFAA Cc1ccccc1NC(=O)CC(=O)N1CCO[C@H](c2ccccc2)C1 65455554 RVDLPSPTNQFPFD-SFHVURJKSA-N 338.407 2.924 0 50 EFAA CC(C)Cc1nc(-c2nc3ccccc3[nH]c2=O)n(-c2ccccn2)n1 67934369 XYYMQDMFYARWQA-UHFFFAOYSA-N 346.394 2.764 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)C2(N3CCCC3)CCCC2)c(F)c1 65530237 JFAPTGHROLSLOC-UHFFFAOYSA-N 347.434 2.597 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCc1ccncc1 124477260 YSXIBZSXABZKEJ-ZBFHGGJFSA-N 347.459 2.918 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)CC2 252477321 LYFUPGDGFFKAMI-XWTMOSNGSA-N 347.430 2.708 0 50 EFAA CN(C)C(C)(C)CNCc1c(F)ccc(C2OCCO2)c1Cl 252507579 WOVBAVXPSKTQJV-UHFFFAOYSA-N 330.831 2.954 0 50 EFAA CCc1ccc(CNCc2cccnc2N2CCC[C@H](O)C2)cc1 11947848 JMINZLNRSMNIJI-IBGZPJMESA-N 325.456 2.895 0 50 EFAA O=C(Nc1cccc(CC(F)(F)F)c1)N[C@H]1CCc2ncnn2C1 120221193 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332.444 2.605 0 50 EFAA CC1CC(C(=O)NCc2nccc(N)n2)(c2cccc(Cl)c2)C1 294830219 DLBGKYCJSOVDGZ-UHFFFAOYSA-N 330.819 2.696 0 50 EFAA CCCCN(C)C(=S)NC1CCN(C(=O)OC(C)(C)C)CC1 243022119 HXYGXTKUBGVIED-UHFFFAOYSA-N 329.510 2.992 0 50 EFAA C[C@H]1CCCCN1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 240500003 NQLDGIFEYZNKGD-HNNXBMFYSA-N 349.906 2.905 0 50 EFAA CN1CCCCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 244873465 WQWIGBJYPYYLBY-FQEVSTJZSA-N 343.515 2.684 0 50 EFAA CC(C)Cn1ncnc1CN1CCC[C@@H](CN2CCC(C)CC2)C1 182719433 NFGLFJXCWKJARF-SFHVURJKSA-N 333.524 2.878 0 50 EFAA CC(=O)O[C@H]1[C@@H]2[C@@H]3[C@@H]4[C@H]([C@H]5CCC[C@H]5[C@H]41)[C@@H]1[C@H](O)[C@@H]4CC[C@@H]2[C@@H]4[C@H]31 253489440 FGFFAYLZTPAYER-HEUWXNLGSA-N 328.452 2.719 0 50 EFAA COc1ccc([C@@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)c(OC)c1 250388061 QBGZKSGQXDDVIG-YJBOKZPZSA-N 339.395 2.609 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)N1CCCC[C@@H]1CO 534579690 SPJFXPDNSYXGFY-MRXNPFEDSA-N 342.439 2.947 0 50 EFAA Cc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)cc1 263617632 OUMRENJCLHAOIP-SFHVURJKSA-N 348.406 2.788 0 50 EFAA Cc1cc(=O)c(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cn1C 534584495 DECRUKQUIBBKDE-INIZCTEOSA-N 327.428 2.996 0 50 EFAA O=C(NCC[C@@H]1CCCOC1)Nc1ccc(-n2cncn2)c(Cl)c1 299771244 UTCGZSGZRALRPZ-LBPRGKRZSA-N 349.822 2.859 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3c(C)ncn3C)C2)cc1 299790615 BBZZNQLZSRWOEK-MRXNPFEDSA-N 327.428 2.968 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccnc1N(C)C 299788546 UVQNTZSAPRAJDW-KRWDZBQOSA-N 325.412 2.964 0 50 EFAA CC(=O)N(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccn1 299791924 HDRZGMOBTHXFNF-IBGZPJMESA-N 326.396 2.798 0 50 EFAA COc1cccc(SCC(=O)NC[C@H](C)Oc2cccnc2)c1 824787803 LPYLEJOAVUYNRL-ZDUSSCGKSA-N 332.425 2.766 0 50 EFAA CC(C)(C)C(=O)N1CCC[C@@H](Cn2ccc3ccncc3c2=O)C1 902372911 LWLMCMDADCQYHF-AWEZNQCLSA-N 327.428 2.681 0 50 EFAA Cn1ccnc1CCN1CCC([C@H](O)CCc2ccccc2)CC1 670465758 ZJDWAHJJNQKTEQ-LJQANCHMSA-N 327.472 2.668 0 50 EFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 277374755 HXUYPOWIJHJTEC-BZSNNMDCSA-N 332.444 2.650 0 50 EFAA CN1CCO[C@H]([C@@H](NCc2cccnc2)c2ccc(Cl)cc2)C1 222049205 HEDVEBFKMBYUII-ROUUACIJSA-N 331.847 2.897 0 50 EFAA CSc1nnc(CNC(=O)C[C@H]2OCCc3ccccc32)s1 170602939 IRQHRSULMDSGEN-GFCCVEGCSA-N 335.454 2.580 0 50 EFAA Cc1nc2c(C(=O)N3CCCN(c4nccs4)CC3)cccc2o1 279438505 FFDAKHFMBWTLOA-UHFFFAOYSA-N 342.424 2.945 0 50 EFAA Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 631411493 RZOVLSSJIXJIIX-PSASIEDQSA-N 344.337 2.815 0 50 EFAA c1ccc(CN2CCCN(Cc3nc(CC4CC4)no3)CC2)cc1 639442222 MBYVNUSWPTXOJQ-UHFFFAOYSA-N 326.444 2.730 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCC2CCN(c3ccncc3)CC2)CCO1 190799983 XIRMEAJBNBLRKH-IBGZPJMESA-N 346.475 2.509 0 50 EFAA O=C(CCc1ccncn1)Nc1ccc(OCC2CCOCC2)cc1 192361013 PSWMWIXNEBHJCN-UHFFFAOYSA-N 341.411 2.853 0 50 EFAA Cn1cnc(-c2ccc(C(=O)N3CC[C@H](c4cccnc4)C3)cc2)n1 648490098 LPCHRSORPGDTIR-KRWDZBQOSA-N 333.395 2.507 0 50 EFAA O=C(CN1CC[C@H](CO)C1)N1c2ccccc2CCc2ccccc21 193379249 YPOLLBFMPPOMGK-INIZCTEOSA-N 336.435 2.764 0 50 EFAA CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1cccc(C)c1 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337.485 2.810 0 50 EFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)o2)n2ncnc2N1 13126961 KUOKMTSXPOGKRP-QGZVFWFLSA-N 349.394 2.785 0 50 EFAA COCCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O 15068245 CEAAFNZEHTXRJH-UHFFFAOYSA-N 348.487 2.913 0 50 EFAA CC(C)Oc1cccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)c1 16489215 LFFLXJAPNPNCPX-CALCHBBNSA-N 337.460 2.978 0 50 EFAA CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 16527312 DNIHRCNHWYRZIY-UHFFFAOYSA-N 344.864 2.607 0 50 EFAA Cc1ccc(-c2csc3ncc(C(=O)NC(C)C)c(=O)n23)cc1 16647696 IIOVSMLXNGJUJV-UHFFFAOYSA-N 327.409 2.870 0 50 EFAA COc1cn(C)c(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1=O 1857529872 CNPLIUWXLGTWDO-HAQNSBGRSA-N 346.814 2.723 0 50 EFAA CNC(=O)c1cccc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1 1857693227 NPOBNVSLONVVJL-UHFFFAOYSA-N 346.394 2.558 0 50 EFAA Cc1ccc2oc(CN3CC[C@@]45OCCN4C(=O)C[C@@H]35)c(C)c2c1 1857721182 CWPQDUMLQZKMNP-MJGOQNOKSA-N 326.396 2.583 0 50 EFAA O=C1C[C@H](n2ccnc2-c2ncc[nH]2)CN1c1ccccc1Cl 1857730476 SVKOFZAILHHWGG-NSHDSACASA-N 327.775 2.905 0 50 EFAA O=C(NCCNC(=O)c1ccoc1C1CC1)c1ccc(Cl)cc1 225571645 XGTSWRXFVPPNNP-UHFFFAOYSA-N 332.787 2.970 0 50 EFAA CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCCC1)C(=O)O 2555005 FDNMLANBNJDIRG-GFCCVEGCSA-N 329.393 2.620 0 50 EFAA in-vitro Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1noc2c1CCCC2 328631270 QSTSDKABECOCJO-KSSFIOAISA-N 330.432 2.524 0 50 EFAA Cc1ccc2cccnc2c1S(=O)(=O)N1CCCC[C@H]1CC(=O)O 646035710 RRJUPEURKDZYJM-AWEZNQCLSA-N 348.424 2.561 0 50 EFAA COc1c(Br)cccc1CN[C@H]1CCN(C(C)C)C1=O 237296207 LGEIIMFMWXLKTG-ZDUSSCGKSA-N 341.249 2.557 0 50 EFAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2coc3ccccc23)C1 344037147 STZPTDMHVAHNHA-RDJZCZTQSA-N 328.412 2.645 0 50 EFAA CC(C)C[C@@H](C)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 252492601 MQGQRPVYEAQBHZ-NEPJUHHUSA-N 332.491 2.821 0 50 EFAA C[C@@H]1CN(c2nc(-c3ccccc3)ns2)C[C@@]2(CCCOC2)O1 253432017 VJGAXDPTYZEHOO-CXAGYDPISA-N 331.441 2.979 0 50 EFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H](c2ccccn2)C1 798719211 VGDXPHMEUQBJTJ-INIZCTEOSA-N 335.407 2.838 0 50 EFAA c1nnc(-c2ccc(-c3noc([C@@]45C[C@@H]4COC54CCC4)n3)cc2)o1 904050055 KMXTUCNIWTZHLA-FZKQIMNGSA-N 336.351 2.997 0 50 EFAA CS(C)(=O)=NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 913644307 KAXCGEPOKWLUSE-UHFFFAOYSA-N 333.291 2.623 0 50 EFAA O=C(NCCc1cccc(F)c1F)c1cc(O)nc2c1CCCC2 932622835 NHDZMYRIHLEOOT-UHFFFAOYSA-N 332.350 2.917 0 50 EFAA CCn1cnc2c1CCN([C@@H](C)C(=O)Nc1cc(C)ccc1OC)C2 933263776 UWZPXXXVVQVYKR-AWEZNQCLSA-N 342.443 2.605 0 50 EFAA COc1cc(O)ncc1C(=O)N(C)C(C)(C)CN1CCCCCC1 935488558 PHUKBMUBVFDQAL-UHFFFAOYSA-N 335.448 2.522 0 50 EFAA Cc1cc(CNC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)on1 864095240 AFOWRRNGMJXISY-MRXNPFEDSA-N 329.400 2.686 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1 871973327 SNYQMFAOQYHNFZ-QRTLGDNMSA-N 329.805 2.505 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4ccc(F)c(F)c4C3)n[nH]c21 1875293343 MVNHVWNCIHABBI-ZJUUUORDSA-N 347.365 2.909 0 50 EFAA Cc1nnc([C@H]2C[C@@H](NC(=O)[C@H]3[C@H]4CC[C@@]3(c3ccncc3)C4)C2)o1 1875297182 FSNMDQNWMOWYRC-BRDQJBEXSA-N 338.411 2.503 0 50 EFAA COc1cccc2[nH]cc(S(=O)(=O)N[C@@H](C)Cc3ccco3)c12 1875288633 QZQVNZOZRVMWID-NSHDSACASA-N 334.397 2.679 0 50 EFAA CC(C)N(C)CC1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875394857 ZAONCTYBHLDODJ-UONOGXRCSA-N 348.491 2.624 0 50 EFAA COc1cc([C@@H]2C[C@H]2NC(=O)c2n[nH]c3c2C[C@H]2C[C@@H]32)ccc1F 1875308496 IWJLGCLIJOPYOQ-FBKDDSFISA-N 327.359 2.503 0 50 EFAA Cc1ncccc1CCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1 893030253 KUVYKKJXJFRZCG-GOSISDBHSA-N 338.455 2.901 0 50 EFAA Cc1ccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1F 1775958244 MTBXIUCTVQMIKB-JKSUJKDBSA-N 335.375 2.619 0 50 EFAA Cn1ncc(C2CCC2)c1C(=O)Nc1cccc(C2OCCO2)c1 897588228 VNBRBKHSKZVACU-UHFFFAOYSA-N 327.384 2.985 0 50 EFAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)N1CC[C@]3(C(=O)O)CCCC[C@H]13)C2 2325787300 QOXHKJUBUXOYAB-CTYUOQFJSA-N 345.443 2.561 0 50 EFAA CC[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](c2cn(CC(F)(F)F)nn2)C1 2325826846 OHNIHSCFHHYMNW-JHJVBQTASA-N 344.381 2.983 0 50 EFAA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(O)c(OC)c1)NCC2 188161 BTSIXDFLURPMCN-SFHVURJKSA-N 345.395 2.662 0 50 EFAA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1 2474400 VIZUXHWYDJXQLK-BXUZGUMPSA-N 330.409 2.898 0 50 EFAA CCn1c(=O)n(CC)c2cc3nc4c(nc3cc21)C(=O)c1ccccc1-4 2494673 DBSDORNOPOBLPE-UHFFFAOYSA-N 344.374 2.997 0 50 EFAA CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 4488769 HHHGZFQEJASBHA-AWEZNQCLSA-N 339.347 2.857 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1 6316570 NLLHBLNBFNWKCM-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 6699686 VFNJJPATNBDDGJ-ZWKOTPCHSA-N 342.439 2.782 0 50 EFAA COc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314847 JEXCEOOHEMLXSR-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc1OC 8914835 DHEXUTJZUVXJGM-OAHLLOKOSA-N 348.399 2.673 0 50 EFAA C[C@@H](CNC(=O)C(F)(F)C1(O)CCCCC1)CN1CCCCC1 225472557 PAFIFRWNYAQLDI-AWEZNQCLSA-N 332.435 2.555 0 50 EFAA Cn1cc(-c2ccc(CN3CCC[C@H]([C@@H]4CCNC4)C3)s2)cn1 414787655 VSFMXXZASLQKRE-CABCVRRESA-N 330.501 2.970 0 50 EFAA COCCOCOC[C@@]12CC[C@@]3(O)O[C@@]4(CC[C@]31C)[C@@H]2CC4(C)C 101053245 JCNJEHGDMKYXKB-LZBKUMLDSA-N 340.460 2.708 0 50 EFAA COC[C@H]1CN(C(=O)Cc2c(C)oc3ccccc23)CC(C)(C)O1 343738112 OMLOCBGEKCYCPF-CQSZACIVSA-N 331.412 2.936 0 50 EFAA O=C(NCCNC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1Cl 55042497 PUNOTNQZMGOGDZ-MAUKXSAKSA-N 349.906 2.924 0 50 EFAA Cc1c(NCc2cccnc2)cccc1C(=O)N[C@@H](C)c1ncn[nH]1 55073178 TVLMOPBXQDCAIT-ZDUSSCGKSA-N 336.399 2.611 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 63835541 PQLSKZCTCMQOOC-RBUKOAKNSA-N 329.488 2.629 0 50 EFAA COc1cc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)ncn1 67982085 YNDGOARHSONWQG-SFHVURJKSA-N 349.381 2.585 0 50 EFAA Cc1ccc2[nH]c(CN3CCC[C@@H](CNS(C)(=O)=O)C3)c(C)c2c1 67431822 YJTXQBCMLMIBOY-HNNXBMFYSA-N 349.500 2.546 0 50 EFAA Cc1ccc(NC(=O)c2cccc(CN(C)Cc3ccno3)c2)nn1 67587077 BWPGAXVCOUBYAG-UHFFFAOYSA-N 337.383 2.657 0 50 EFAA O=C(NCCN1CCOCC1)c1cccc(Oc2ccccc2)c1 20530037 MVMFUZDFMZVYRI-UHFFFAOYSA-N 326.396 2.541 0 50 EFAA CCC1=NO[C@H](CNC(=O)CSc2cn(C)c3ccccc23)C1 215446673 FHCNYNFFNMXAPG-ZDUSSCGKSA-N 331.441 2.942 0 50 EFAA CC(C)n1cc(C(=O)N2CCCC[C@H]2CCc2nccn2C)cn1 77438266 XZDDGWIYGFVKGJ-INIZCTEOSA-N 329.448 2.825 0 50 EFAA COc1ccc2cc(C(=O)[C@H]3CCCN(CC(=O)O)C3)ccc2c1 71777051 PWULIQJDZWZGRP-INIZCTEOSA-N 327.380 2.828 0 50 EFAA Cc1ccc2nc(SCC(=O)N[C@@H](C)c3cnn(C)c3)[nH]c2c1 216008232 IGSPTECSVWRIRZ-NSHDSACASA-N 329.429 2.574 0 50 EFAA Cn1c([C@H]2CCCN2CC(=O)N2CCCCCC2)nc2c1CCCC2 328636913 OIRVXLQHUCMRLK-GOSISDBHSA-N 344.503 2.838 0 50 EFAA CCn1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)c1C 331650996 VMQDRGVQGGPDFM-QGZVFWFLSA-N 343.427 2.742 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)s1 331960845 SDCGTYALNAFJJM-UHFFFAOYSA-N 349.481 2.986 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)cc12 126529539 AYPZOGUXCVYEPD-UHFFFAOYSA-N 349.394 2.891 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)c2cnn(C)c2)cs1 242316991 YWKMLSRGQGBSHK-AWEZNQCLSA-N 332.429 2.512 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)n1 371415071 ASTXNWIEEWHKQA-SFHVURJKSA-N 336.443 2.950 0 50 EFAA CCc1[nH]c2ccc(CNC(=O)[C@@H]3CCN(CCOC)C3)cc2c1C 71763735 GBJWMXQCXKYGNW-MRXNPFEDSA-N 343.471 2.623 0 50 EFAA CC(C)C[C@H]1COCCN1S(=O)(=O)c1cnc2ccccc2c1 333171092 KHSOQMUKOYEGCX-HNNXBMFYSA-N 334.441 2.670 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(-c3cccnc3)[nH]n1)O2 373552993 YLHFKUZBWZWOOL-KRWDZBQOSA-N 334.379 3.112 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)NC3CCC(N)CC3)c2)n1 237667084 PWFBGTXKWDKFCK-UHFFFAOYSA-N 326.444 2.548 0 50 EFAA CCOc1cc(CN2C[C@@H](OC)C[C@H]2COC)cc(Cl)c1OC 284563561 MMFFWZHTWLDARU-KBPBESRZSA-N 343.851 2.983 0 50 EFAA CN(C)C(=O)c1ccnc(NC(=O)NC(C)(C)c2ccccc2)c1 285239834 QLLXMUQCTFAXGH-UHFFFAOYSA-N 326.400 2.840 0 50 EFAA O=C(Cc1ccn[nH]1)NCC1(c2ccc3c(c2)OCO3)CCCCC1 175678352 JTZYOJAUCACRTF-UHFFFAOYSA-N 341.411 2.699 0 50 EFAA Cc1ncsc1CCC(=O)NCCc1nc(C)c2c(n1)CCCC2 82098552 HKCVFVUMTAJJFY-UHFFFAOYSA-N 344.484 2.720 0 50 EFAA C[C@@H](C(=O)Nc1ncc(C(C)(C)O)s1)n1cnc2ccccc21 290651540 WVNCVAKDDIARGZ-JTQLQIEISA-N 330.413 2.920 0 50 EFAA CCCc1cnc(N2CCN(Cc3nccn3C(C)C)CC2)nc1 199412304 RCHAPYNSIGNQQS-UHFFFAOYSA-N 328.464 2.529 0 50 EFAA O=C(CCn1cccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1 290824659 CBFSDESOWRTPNO-LJQANCHMSA-N 340.471 2.692 0 50 EFAA Cc1ncc2c(c1-c1noc(CN3CCCCCCC3)n1)CCNC2 19148308 XZTIBUONCLPANP-UHFFFAOYSA-N 341.459 2.852 0 50 EFAA CCOC(=O)c1nn(CC)c2c1CN(C1Cc3ccccc3C1)CC2 20919583 XMZZCYQCEACYTD-UHFFFAOYSA-N 339.439 2.605 0 50 EFAA COc1cccc([C@@H](C)N(C)C(=O)NCCN=c2cc[nH]cc2C)c1 426544244 AQWPLIKHWZKOKU-OAHLLOKOSA-N 342.443 2.635 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCCc1ccccn1)CO2 91474818 ORAQVGPKTHAPKH-INIZCTEOSA-N 340.423 2.780 0 50 EFAA CC(C)CCn1c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3)nc2ccccc21 97743051 FOFJDXVWUQFUDH-CVEARBPZSA-N 340.471 2.793 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 91563060 GHTMKZGOYMPGHO-SFHVURJKSA-N 349.402 2.587 0 50 EFAA O=C(c1cn[nH]n1)N(Cc1ccncc1)[C@H]1CCCc2ccccc21 97212984 WFTQYMCICQLNAR-SFHVURJKSA-N 333.395 2.920 0 50 EFAA COc1cccc([C@@H]2CN(Cc3ccccc3C#N)C[C@H]2C(=O)O)c1 91444552 JZVQOHFHDXGQPR-RBUKOAKNSA-N 336.391 2.867 0 50 EFAA CC[C@@H](O)Cn1nc(C)nc1-c1ccc(CSc2ncccn2)o1 96166409 OAQLVYMPOZMCMH-GFCCVEGCSA-N 345.428 2.700 0 50 EFAA CC(C)N1CCC[C@@]2(CCN(Cc3nc(-c4ccco4)no3)C2)C1=O 91486980 ZENRRGMRVGMSAJ-SFHVURJKSA-N 344.415 2.553 0 50 EFAA CCc1cc(N2CCC(NCCCc3cccnc3)CC2)nc(C)n1 95530351 ZYXZNSINULYFNY-UHFFFAOYSA-N 339.487 2.934 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)c1cnc(C(C)C)nc1)C2 97743094 MECYYPYYLRDTJX-CYBMUJFWSA-N 341.411 2.590 0 50 EFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@H]2c2ccc(F)cc2)CC1 91965947 MSMBAYUZKDDQEW-KRWDZBQOSA-N 330.403 2.748 0 50 EFAA CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 91350499 ANFYXXNVXKRZCM-GFCCVEGCSA-N 342.361 2.864 0 50 EFAA C[C@@H](Cc1ccccn1)N(C)CCC(=O)Nc1ccsc1C(=O)O 244724450 MUIRCGYICGWWAM-LBPRGKRZSA-N 347.440 2.733 0 50 EFAA CN(CC(=O)NCc1cccs1)Cc1cc(-c2ccccc2)n[nH]1 244574928 CTRIQVKQIHTWMJ-UHFFFAOYSA-N 340.452 2.886 0 50 EFAA O=C(c1cncc(O)c1)N1CCC2(CC1)OCCc1ccsc12 340005918 YIRJFDVXVJKROU-UHFFFAOYSA-N 330.409 2.553 0 50 EFAA COc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ncn1 182190051 PRYJZPYQDKKSPQ-SMDDNHRTSA-N 346.362 2.618 0 50 EFAA COc1ccccc1OCCCN1CCC(C(=O)N2CCCC2)CC1 252495623 OUQCZMAIBKQGEA-UHFFFAOYSA-N 346.471 2.799 0 50 EFAA COC[C@@H](c1ccccn1)N(C)Cc1cc(C(N)=O)oc1C(C)(C)C 252482305 DCSRXHWMMJVOMY-HNNXBMFYSA-N 345.443 2.891 0 50 EFAA O=C(CSc1cnn[nH]1)NCc1conc1-c1ccc(Cl)cc1 252492132 MDOIMCBAJPNWPY-UHFFFAOYSA-N 349.803 2.522 0 50 EFAA C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nncn1C1CCCC1 299770977 SUQPXJZWRUJHNY-NSHDSACASA-N 328.372 2.613 0 50 EFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1c(C)cccc1OC 824400671 HWFBXGNPZXSEBG-UHFFFAOYSA-N 345.443 2.643 0 50 EFAA COc1ccc(NC(=O)[C@H](OC)c2ccccc2)cc1C(=O)N(C)C 824504165 QUQRONOFGZYVIY-QGZVFWFLSA-N 342.395 2.723 0 50 EFAA CC(C)Cc1nc(CCN2CCCCCC2=O)n(-c2cccnc2)n1 821471688 ZSXNYZDVNYQKLY-UHFFFAOYSA-N 341.459 2.806 0 50 EFAA CCc1ccc(S(=O)(=O)N(C)[C@@H](COC)c2ccccn2)s1 952979508 HEYWZCGSTIMUGF-AWEZNQCLSA-N 340.470 2.714 0 50 EFAA CCN(CC)C(=O)c1ccccc1NC(=O)C(F)(F)C1(O)CCC1 305711435 FLDBDKFTEFGXJO-UHFFFAOYSA-N 340.370 2.657 0 50 EFAA Cc1nc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c(C)o1 408520642 PSDVKCFUXSLPGT-CQSZACIVSA-N 327.428 2.886 0 50 EFAA CC(C)(C)c1coc(CNC(=O)NCc2noc3c2CCCC3)n1 894882523 XOJOFUFJXGRLCE-UHFFFAOYSA-N 332.404 2.838 0 50 EFAA CC(C)(C)C1=CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 270434266 JSCALFOLBILIMW-UHFFFAOYSA-N 329.444 2.796 0 50 EFAA C[C@H]1C[C@H](CCNC(=O)c2ccc(Br)cn2)CCO1 273440619 BTTSPYJEGTWAPT-WDEREUQCSA-N 327.222 2.779 0 50 EFAA CC1CCN([C@@H](C)CNC(=O)c2c[nH]nc2-c2ccsc2)CC1 188943035 DNJACFQNHAWDTO-ZDUSSCGKSA-N 332.473 2.988 0 50 EFAA COc1cccc(CN(CCN(C)C)c2ncnc3onc(C)c23)c1 192550274 UFXCLSXSXNPAST-UHFFFAOYSA-N 341.415 2.503 0 50 EFAA CC(C)(C)OC(=O)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](N)C(=O)O 199479399 FBQNQJPQGYHJJS-WDEREUQCSA-N 334.199 2.831 0 50 EFAA CC(C)c1noc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 1506406962 HRRLSQZPZNDKMQ-UHFFFAOYSA-N 343.431 2.815 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)c2c(C)cc(C)nc2O)cc1 1506425176 OBGOMXLTSIKYTD-UHFFFAOYSA-N 328.412 2.737 0 50 EFAA Cc1nc(C)c(C)c(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704338243 OXRQFEBPADGPGF-YLJYHZDGSA-N 348.450 2.990 0 50 EFAA COc1cc(N2CCC3(CC2)OCCc2ccsc23)nc(OC)n1 1704311147 ZXNMVCCHCVXMSV-UHFFFAOYSA-N 347.440 2.624 0 50 EFAA Cc1sc2ncnc(N3C[C@@H](O)[C@H](Cc4ccncc4)C3)c2c1C 1704338609 VSYDRNWIUWFNND-HUUCEWRRSA-N 340.452 2.743 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1C 1800414110 KYBLQVCKXFZOFB-FQEVSTJZSA-N 339.439 2.912 0 50 EFAA CC(C)n1cc(C(=O)N2CCCN(c3ncccc3Cl)CC2)cn1 1772811621 VPAWNXSGEYAMGO-UHFFFAOYSA-N 347.850 2.865 0 50 EFAA CCOC(=O)c1cnc2ccc(Br)cc2c1NCCO 5958576 MQWGPBZTJHMTHP-UHFFFAOYSA-N 339.189 2.578 0 50 EFAA Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Cl 12274072 JRTHEYXLPYHXGM-UHFFFAOYSA-N 327.775 2.941 0 50 EFAA COc1cc(CN2CCO[C@H](Cc3ccccc3)C2)cc2c1OCO2 14955603 CPRZASAQWWNAGT-QGZVFWFLSA-N 341.407 2.867 0 50 EFAA Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12 16604784 QXHDUMBKJSYYCK-UHFFFAOYSA-N 338.363 2.932 0 50 EFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2C)s1 16622474 BWAZBRUNEVLFMV-UHFFFAOYSA-N 345.833 2.864 0 50 EFAA COc1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1 18251228 BDZRGNXDZGNKAI-UHFFFAOYSA-N 328.441 2.609 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(C/C=C/c4ccccc4)[C@@H]2CC(=O)N13 1857733405 JJZGBVDBJKPGKZ-MRCFORSHSA-N 326.440 2.758 0 50 EFAA CN(C)C(=O)[C@@H]1CCN(c2ccnc3c(Br)cccc23)C1 413522616 WONNNIONKQSQIS-LLVKDONJSA-N 348.244 2.912 0 50 EFAA CSc1ccc(NC(=O)c2coc(S(N)(=O)=O)c2)cc1Cl 120596964 OUXKLDNLRSJZDB-UHFFFAOYSA-N 346.817 2.555 0 50 EFAA CC(C)(O)CN1CCC[C@H](c2nn(-c3ccccc3)cc2C(=N)O)C1 328602925 DEKBHYDMPLMMPI-AWEZNQCLSA-N 342.443 2.706 0 50 EFAA C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(C)(=O)=O)o1 331855825 HOTYPLVRSCXYPI-SECBINFHSA-N 325.411 2.504 0 50 EFAA O=C(NCCn1ccnc1)N1CCC[C@@H](Oc2ccccc2Cl)C1 132644806 VEFOLTKKGOZWDB-CQSZACIVSA-N 348.834 2.790 0 50 EFAA COc1ccc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(Cl)c1OC 247893584 NUDSLYWWPXYWEB-OLZOCXBDSA-N 339.819 2.900 0 50 EFAA Cc1ncccc1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 347462584 QYIZBNFFZRMFCT-OALUTQOASA-N 339.439 2.534 0 50 EFAA CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1 155121176 QUAWOEPAVBATAD-HNNXBMFYSA-N 327.384 2.927 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3cnc(C4CCC4)s3)C2)nn1 901524336 GBHHOCQWPMYTRD-LBPRGKRZSA-N 347.444 2.537 0 50 EFAA O=S(=O)(NCc1cc(C(F)F)on1)[C@H]1C[C@@H]1c1cccc(F)c1 921335324 GPSHLGCJTRTYBZ-YPMHNXCESA-N 346.330 2.727 0 50 EFAA Cc1nc2n(n1)CCN(C(=O)Nc1cccc(COC(C)(C)C)c1)C2 933218903 NZKUNXJJKLPBRP-UHFFFAOYSA-N 343.431 2.949 0 50 EFAA CC(C)(C)OC(=O)N1C2CCC1(C(=O)NOCC(F)(F)F)CC2 934902466 XCMGHOFLHGGZKN-UHFFFAOYSA-N 338.326 2.529 0 50 EFAA Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1nn(CC(F)F)c2ccccc12 1120761962 WIWHGJVINUDCGZ-VXGBXAGGSA-N 345.353 2.777 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCC3(CC(OCC)C3)C2)cc1 1297584164 TWHVUPPHNWQHIC-UHFFFAOYSA-N 328.412 2.842 0 50 EFAA CCc1cc(NCc2sncc2Br)n2ncnc2n1 952994064 ULDKXZOVZGSVIN-UHFFFAOYSA-N 339.222 2.518 0 50 EFAA C[C@@]1(C(N)=O)CCCN1C(=O)CCC(=O)c1ccc2ccccc2c1 1875296013 FZYQLAVROXVTDT-FQEVSTJZSA-N 338.407 2.669 0 50 EFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc(COCC(F)(F)F)cc1 1875270749 LGNMXWLKKMXJDS-CYBMUJFWSA-N 344.333 2.715 0 50 EFAA CC(F)(F)c1cccc(CN2CC[C@H](n3cc(C(=O)O)nn3)C2)c1 1875283171 IHHPJHJHBCVKSM-ZDUSSCGKSA-N 336.342 2.535 0 50 EFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC=CC2)CC1 1875313180 IZCAIPKRGKSNRW-QGZVFWFLSA-N 342.439 2.913 0 50 EFAA OC[C@@]1(CNc2nccc3c(O)ncnc23)CC[C@H]1c1ccccc1 1875405843 PSNRJSIXURVCIW-KXBFYZLASA-N 336.395 2.699 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCc2c1cnn2C 886080452 SPACLLNHQWBODF-URLQWDBASA-N 343.475 2.771 0 50 EFAA COc1ccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1 886038145 NVLNNOSVGXRZJD-HIFRSBDPSA-N 330.350 2.727 0 50 EFAA O=C(NN1CCC(O)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 1775993928 OMYPKQVEDAEVCR-ZWOKBUDYSA-N 328.456 2.523 0 50 EFAA OC1CCN(Cc2cn([C@H]3CCCc4ccc(Cl)cc43)nn2)CC1 899729927 CZWSZCIPJRRFII-SFHVURJKSA-N 346.862 2.814 0 50 EFAA COc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)c(OC)c1 13728990 CJYNIMPUJGUKPO-UHFFFAOYSA-N 339.380 2.932 0 50 EFAA CN1CCC[C@@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 110633350 NJAUXFJJLLIZJE-JQWIXIFHSA-N 337.474 2.804 0 50 EFAA O=C1C[C@@H](CC(=O)Nc2ccc(OCC3CC3)cc2F)CCCN1 2325776342 AQBFNUSXNZHYJG-ZDUSSCGKSA-N 334.391 2.859 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2c[nH]nc2-c2cccc(C)c2)CC1 2325788318 YFCGUIINQIDUGU-GOSISDBHSA-N 343.427 2.697 0 50 EFAA CC(C)c1nc(N2CCN[C@@H](c3ccc(O)cc3)C2)c2cc[nH]c2n1 2325790618 YRKUIOVQUFKQOZ-MRXNPFEDSA-N 337.427 2.938 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccccc4F)on3)C[C@H]2C1 2325791118 VOQSSDFGTRNTGB-YNEHKIRRSA-N 329.375 2.680 0 50 EFAA Cc1cc2c[nH]nc2cc1C(=O)N1CCN(c2ccncc2)C[C@@H]1C 2325797950 BERVTQFPTHBMJJ-AWEZNQCLSA-N 335.411 2.617 0 50 EFAA O=C(N[C@H]1CCc2ncsc2C1)c1nc(Br)cs1 910840467 HBFCQYVCXWWWBC-LURJTMIESA-N 344.259 2.649 0 50 EFAA COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2Cc2ccccc2)cc1 142562 REHJMAGOXBJGDO-WMZOPIPTSA-N 325.364 2.870 0 50 EFAA COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC 461960 XKEXGUCFPFXBFE-ZDUSSCGKSA-N 347.386 2.969 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4cc[nH]c4n3)C1)CC2 2356139698 HWAVLFJGIIWKPZ-HXUWFJFHSA-N 347.422 2.782 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 2846597 YTFDWGHUAFEEHJ-UHFFFAOYSA-N 346.814 2.954 0 50 EFAA CO[C@H](C)c1n[nH]c(=Nc2cc(C(=O)O)c3ccccc3n2)s1 2356157679 QRVVWGYWXKPXMA-MRVPVSSYSA-N 330.369 2.657 0 50 EFAA O=C(COc1ccc(Cl)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356157702 RJVITEJBHYXBOA-SFHVURJKSA-N 345.830 2.949 0 50 EFAA O=P(OCC(F)(F)F)(OCC(F)(F)F)N1CCOCC1 2900677 ZKRRXUIMZUVGSN-UHFFFAOYSA-N 331.149 2.585 0 50 EFAA Cc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)CCO2)o1 133581567 WYSZMDGRJWCIMO-KRWDZBQOSA-N 338.363 2.643 0 50 EFAA CC(=O)c1cccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1 104526240 IBWQLOBZOAWKNQ-HXUWFJFHSA-N 332.488 2.804 0 50 EFAA CCC(CC)n1ncc(C)c1NC(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 55392868 HRELNBNVDPXUIO-NEPJUHHUSA-N 337.493 2.506 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CC2=CSC3=NCCN23)n1 101955140 UYGDIZZAOGQPIP-LBPRGKRZSA-N 347.444 2.506 0 50 EFAA CC[C@@H]1CN([C@H](C)c2nc(-c3ccccc3)no2)CCN1C[C@@H](C)O 247138157 KWSZNPLPVURNQD-BFYDXBDKSA-N 344.459 2.575 0 50 EFAA COc1ccccc1-n1nccc1CN1CC[C@H](c2nc(C)no2)C1 344848140 BTJLQCSQMQTRTJ-AWEZNQCLSA-N 339.399 2.562 0 50 EFAA CCCn1cnnc1CNC(=O)CCn1c(C)cc2ccccc21 55386988 YRYPLBWVYAXVPP-UHFFFAOYSA-N 325.416 2.658 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccco2)CC1 20395640 HQJSSHUWXPMLFV-UHFFFAOYSA-N 347.846 2.998 0 50 EFAA Fc1ccc(Cc2noc(-c3ccc(N4CCOCC4)nc3)n2)cc1 20231927 GFTOHQMBKAKIKP-UHFFFAOYSA-N 340.358 2.698 0 50 EFAA COCC(=O)Nc1ccc(-c2nc(C)nn2-c2ccc(F)cc2)cc1 65526056 IKNXRSVPKPAYHB-UHFFFAOYSA-N 340.358 2.967 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3cnn4ncccc34)cc2)c1C 428593314 CKAPRIJDHQOCFB-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CN(Cc1nccn1C)[C@@H]1CCCN(CCCc2ccccc2)C1 23373004 OJSKGFIZXMYPTQ-LJQANCHMSA-N 326.488 2.949 0 50 EFAA Cc1ccccc1NC(=O)CCNc1cc([C@@H]2CCCNC2)ncn1 67921777 XYQFFHPYLHSDGS-OAHLLOKOSA-N 339.443 2.693 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2)s1 23581976 OZNCPKSJLUIXAT-AWEZNQCLSA-N 344.436 2.850 0 50 EFAA Cc1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 65362982 ZFVYCOCZVPMDHD-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA Cc1ncsc1CCS(=O)(=O)N(C)Cc1cccc(F)c1 253431061 SWSKDIBICYFHTA-UHFFFAOYSA-N 328.434 2.595 0 50 EFAA Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 252500284 SRFMDFCOISZOIM-SNVBAGLBSA-N 339.395 2.921 0 50 EFAA Cc1cccc(C(=O)NCC[C@H]2CCCN(Cc3ccncc3)C2)n1 67966920 MLJIRMXWNLJUBS-QGZVFWFLSA-N 338.455 2.817 0 50 EFAA Oc1cccc([C@@H]2CN(Cc3cccnc3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72154643 WLBFDDDPJFGWAG-PWRODBHTSA-N 335.451 2.849 0 50 EFAA CCC[C@@H]1COCCN1C(=O)c1cccc(CC2CCNCC2)c1 72146166 HWIGKXMXPVAGPG-LJQANCHMSA-N 330.472 2.870 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 229577721 PLIRVMWIVRJZLO-DLBZAZTESA-N 349.519 2.548 0 50 EFAA CC(C)CN1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@H](C)C1=O 77320683 UZOBIRBLXHGSRW-GFCCVEGCSA-N 340.826 2.737 0 50 EFAA COC(=O)CC1(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCC1 253393315 QTXOPFGMLPQQCW-YWZLYKJASA-N 343.423 2.719 0 50 EFAA CCn1nccc1CCN1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 253392770 GFUKPEWUTIMGGK-ZWKOTPCHSA-N 341.455 2.724 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)no1 77521424 XYSAUZNBAVHTOW-AWEZNQCLSA-N 327.384 2.928 0 50 EFAA CC(C)n1c(S)nnc1CNC(=O)[C@H](c1ccccc1)C1CC1 153697545 DFBCSVDBIALUGS-OAHLLOKOSA-N 330.457 2.958 0 50 EFAA Cc1cccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)n1 1565510281 YSTGQGDLGLIKTJ-LPHOPBHVSA-N 336.439 2.522 0 50 EFAA CCn1ccc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cc1=O 215569392 HOGDWNPXGJGDTQ-UHFFFAOYSA-N 342.424 2.592 0 50 EFAA O=C1C[C@H](Nc2cc(C3CC3)ncn2)CN1CCc1ccc(F)cc1 72150327 UBKWMIJPBFLVLQ-INIZCTEOSA-N 340.402 2.749 0 50 EFAA Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)o1 371806500 GBWZSLXHAOEKLC-ZFWWWQNUSA-N 330.432 2.842 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)c2ccc(C)cc2C)n1 77137426 RLFZZCCOBAAENZ-UHFFFAOYSA-N 327.432 2.676 0 50 EFAA Cc1noc(CNC(=O)Nc2ccc(C)c(OCC(F)F)c2)n1 159197808 USLYIYGHCUQEJI-UHFFFAOYSA-N 326.303 2.652 0 50 EFAA OC1CCN(Cc2ccccc2CN[C@@H]2CCC23CCOCC3)CC1 374382473 AMSSFCDJRBACPU-HXUWFJFHSA-N 344.499 2.692 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 237502275 OJHXXLZRCDHRBO-ABAIWWIYSA-N 326.400 2.566 0 50 EFAA CCOC(=O)N1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 220229152 PJOOMRXAULJVTJ-UHFFFAOYSA-N 332.448 2.798 0 50 EFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@H]1CSCCS1 242191336 XESVLSDXBCTGDD-QWHCGFSZSA-N 325.503 2.805 0 50 EFAA CCOC(=O)c1cnn(-c2nc(C(F)(F)F)ns2)c1C(F)F 340028957 JBXPYKATNUQFSD-UHFFFAOYSA-N 342.249 2.857 0 50 EFAA C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1cnn(C)c1 341164149 VXMDUEPYYDWAPS-SECBINFHSA-N 343.309 2.639 0 50 EFAA COCC[C@@H](NC(=O)Nc1cccc2c1OCC(=O)N2)c1ccco1 290265525 VRVOHYSZVRTUGQ-LLVKDONJSA-N 345.355 2.510 0 50 EFAA O=C(O)C1CCC(NC(=O)N2CCCc3ccccc3CC2)CC1 263473107 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Cc1nc(N2CCC([C@H](O)c3nccn3C)CC2)c2sccc2n1 95384423 JJKDCFHMVUZKPC-AWEZNQCLSA-N 343.456 2.683 0 50 EFAA Cc1ccnc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 294010983 IQLIKHURIKSRBP-LJQANCHMSA-N 337.423 2.760 0 50 EFAA COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c(OC)c1 244626545 FNPQMJYYEUMSOP-KHYOSLBOSA-N 341.407 2.946 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCCN1Cc1ccccc1 243893340 AQADOUZAOCNQMY-LJQANCHMSA-N 338.455 2.569 0 50 EFAA CN1CCCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1 244817135 SUUOLOGGJJNUHQ-GOSISDBHSA-N 333.451 2.517 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 299745465 ZJCAYTDRFNZCAN-GFCCVEGCSA-N 348.786 2.861 0 50 EFAA Oc1cc([C@H]2C[C@H](NC3CSCCSC3)C2)nc(C2CC2)n1 253534780 CFNYXHHVWSRTFA-HAQNSBGRSA-N 337.514 2.744 0 50 EFAA Cc1ccc(N[C@@](C)(C(=O)NCCn2cncn2)c2ccccc2)cc1 534589489 BNFIGXXMPXJEAO-HXUWFJFHSA-N 349.438 2.730 0 50 EFAA CN1CCN(C[C@@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 371422284 FCDXUENXACUUOZ-AWEZNQCLSA-N 327.925 2.861 0 50 EFAA FC(F)(F)c1nnc(N2CCN(C3CCSCC3)CC2)s1 299766107 AEELUENJDZYNDV-UHFFFAOYSA-N 338.424 2.575 0 50 EFAA CS(=O)(=O)c1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1 299763926 HMJJHJRTORBPGW-UHFFFAOYSA-N 335.469 2.914 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)C1CC1 299797074 TZNUTZQDNLFBMN-AWEZNQCLSA-N 342.428 2.631 0 50 EFAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC(C)(C)C)c1cccnc1 825109505 WDQGAJGMNQKANZ-AWEZNQCLSA-N 336.461 2.877 0 50 EFAA Cn1ccc2cc(CN3CCNC(=O)[C@@H]3c3cccc(F)c3)ccc21 828314892 CNKOFAUKVKVGEE-IBGZPJMESA-N 337.398 2.991 0 50 EFAA Cc1occc1CNC(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1365316471 LYBGKFJPDNBGMS-MSOLQXFVSA-N 327.428 2.733 0 50 EFAA COCc1nc(Cc2c(C)noc2C)n(Cc2ccc(OC)cc2)n1 670439933 WSURYRORBAGAJZ-UHFFFAOYSA-N 342.399 2.677 0 50 EFAA CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(C(F)F)c3)C2)C1 1365709396 QPQLGFQHFBLOSS-MRXNPFEDSA-N 344.427 2.731 0 50 EFAA Cc1ccc2nc(CN3CCC(CN=S(C)(C)=O)CC3)cn2c1 1413250648 UZQWYLMJXXAFFA-UHFFFAOYSA-N 334.489 2.582 0 50 EFAA Cc1cccc(CC2(NC(=O)Cn3c(=O)oc4ccccc43)CC2)c1 952863921 XHWKPELFAFRIEB-UHFFFAOYSA-N 336.391 2.794 0 50 EFAA COc1cc(OC)cc(N2CCCN(c3ccnc(C)n3)CC2)c1 268175784 HNCYNOALSCJEKN-UHFFFAOYSA-N 328.416 2.519 0 50 EFAA CCOC(=O)N1CCC[C@H](C(=O)Nc2sc(CC)nc2C)C1 170601194 MFBSWVFGEVTFPO-NSHDSACASA-N 325.434 2.821 0 50 EFAA O=S(=O)(CCCC(F)(F)F)Nc1cccc(-n2ccnc2)c1 272159163 NMGDHINCTZYUGA-UHFFFAOYSA-N 333.335 2.957 0 50 EFAA CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[nH]3)cc2)CCO1 272703238 GTEGTKTZBGTVDI-SWLSCSKDSA-N 329.404 2.647 0 50 EFAA Cc1ccc(Cc2noc([C@H]3CC(=O)N(CC(F)(F)F)C3)n2)cc1 273780277 VMRFFDPXKDBCFU-LBPRGKRZSA-N 339.317 2.847 0 50 EFAA CC[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)[C@@H](O)C(F)(F)F 276818827 DCZKNIDIVBKFCF-SGMGOOAPSA-N 331.334 2.630 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CCO1 190822369 GRASBDFWZKUIFY-FRQCXROJSA-N 337.508 2.850 0 50 EFAA CC(C)N(C)c1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cn1 191475291 NPKUJSKJHWNSPX-QGZVFWFLSA-N 325.460 2.690 0 50 EFAA C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C 193343531 CZWVLVKDIBMRHU-BLLLJJGKSA-N 348.397 2.540 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@H](c1ccc(Cl)cc1)C1CC1 746189234 LXLGZJXFROIPOK-ZBEGNZNMSA-N 339.844 2.856 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cnn(C)c2)C1 195566254 DAMFBBBDDJADGM-RDJZCZTQSA-N 328.460 2.705 0 50 EFAA CC1(C)NC(=O)CC[C@H]1NC(=O)c1cnccc1Oc1ccccc1 670001494 NNIXOIQEHDKWSK-MRXNPFEDSA-N 339.395 2.661 0 50 EFAA Cn1ccnc1-c1ccccc1C(=O)Nc1c2c(nn1C)CSC2 1506431470 LKVOLJRAWQXLPF-UHFFFAOYSA-N 339.424 2.820 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)Cc2csc(C(C)=O)c2)s1 1529186895 MJOBPXBPMJEVLR-MRVPVSSYSA-N 325.415 2.691 0 50 EFAA CCCN(C(=O)Cn1ccc(=O)c2ccccc21)[C@H]1CCCC[C@@H]1O 216409198 RTUYPWNZEUPVIH-HKUYNNGSSA-N 342.439 2.544 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)CCc1ccccc1Br 237590651 XYEQOPMMLSQMKX-WCQYABFASA-N 325.250 2.720 0 50 EFAA NC[C@H]1CCCN1C(=O)CCc1cc(Cl)ccc1Br 238033714 FNGHZUKWHLJIDW-GFCCVEGCSA-N 345.668 2.985 0 50 EFAA Fc1ccc2nc(C3CCN(CC[C@H]4COCCO4)CC3)[nH]c2c1 1775978316 MNEXNVBBYIOYAB-HNNXBMFYSA-N 333.407 2.687 0 50 EFAA CCSc1nnc(NC(=O)c2ccc(-n3nncc3C)cc2)s1 11690398 UQRZBKAPQUATNF-UHFFFAOYSA-N 346.441 2.792 0 50 EFAA O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1C[C@@H]2C=C[C@H]1C2 11910350 WQPHWFOAFSZYFB-OAOQPFQOSA-N 347.418 2.776 0 50 EFAA O=C(CCc1ccsc1)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 12072549 QQKNLMUTYUYERT-INIZCTEOSA-N 346.427 2.737 0 50 EFAA CCc1ccc(S(=O)(=O)NC(=S)NC2CCCCC2)cc1 13545197 SQGQCQSJFMXUCB-UHFFFAOYSA-N 326.487 2.735 0 50 EFAA COC[C@H]1CCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 14968370 OATANQXEOREMOU-KRWDZBQOSA-N 342.483 2.505 0 50 EFAA CCCCN(C)S(=O)(=O)c1cc(Br)ccc1OC 16579317 IQGBGIZGIKGRLG-UHFFFAOYSA-N 336.251 2.878 0 50 EFAA O=C(c1ccoc1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1 19939534 VJDILGXGKWUYIA-UHFFFAOYSA-N 336.395 2.939 0 50 EFAA Cc1cc(CN2CCC(C3CCN(c4nncs4)CC3)CC2)on1 1857727682 XELWCGFNUOSMDD-UHFFFAOYSA-N 347.488 2.963 0 50 EFAA CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1CCc2ncnn2C1 1857728354 YBYPYSSCADCFKR-LBPRGKRZSA-N 348.834 2.598 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](CC(=O)O)c3ccccc32)cc1F 327129855 GKVKBVOBAWZZEO-ZDUSSCGKSA-N 343.354 2.982 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc4cc(C)c(C)cc4o3)CCO2)o1 328613189 RBRDNXZIYGZFQE-INIZCTEOSA-N 341.367 2.955 0 50 EFAA Cn1nncc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 252497359 QEUHJGGPIARGOJ-UHFFFAOYSA-N 325.397 2.680 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 154346342 KFCNLVMTXZPJPW-SWLSCSKDSA-N 335.835 2.794 0 50 EFAA O=C(c1cnc2ccccc2c1C(F)(F)F)N1CC[C@H]2CNC[C@H]21 368182308 DWOSWDFTWOGYOH-IINYFYTJSA-N 335.329 2.688 0 50 EFAA Clc1ccc(CN2CCC(Nc3nccn4cnnc34)CC2)cc1 265448532 SRLKUUVWDBROBE-UHFFFAOYSA-N 342.834 2.854 0 50 EFAA CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C(=O)O)C1 905268501 IXVBOVPYTRPLGA-OCCSQVGLSA-N 346.427 2.916 0 50 EFAA CC[C@H](C(=O)O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 911671656 YNTAULIBZQDNTG-NSHDSACASA-N 339.189 2.657 0 50 EFAA COc1cccc(/C(C)=C/C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 818581951 RACUMRSDVQQKGY-FIRJTHROSA-N 341.411 2.810 0 50 EFAA Cc1nc(C)c(CN2CCN(c3nc4ccccc4o3)[C@@H](C)C2)[nH]1 929538989 FCSCDWKLAMQVAI-LBPRGKRZSA-N 325.416 2.878 0 50 EFAA O=C(c1ccc(OC(F)F)cc1F)N1CCOc2ncccc2C1 935384198 SDTIFDZKEWTPHI-UHFFFAOYSA-N 338.285 2.857 0 50 EFAA Nc1cc(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)c(Br)cn1 874435077 KYMOZGBMXMZRFS-GTNGPMTGSA-N 337.177 2.511 0 50 EFAA COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)ccc1F 952851528 MKLHAOCWVOMPFC-UGSOOPFHSA-N 345.374 2.720 0 50 EFAA N[C@@H](CC(=O)N[C@H](CCO)C1CCCCCC1)Cc1ccccc1 1875277872 LAEREMPFFUVCMH-RTBURBONSA-N 332.488 2.784 0 50 EFAA c1cn(-c2ccnc(N[C@H]3CCOC4(CCSCC4)C3)n2)cn1 1875273550 JPLYTRAPAOMVGY-ZDUSSCGKSA-N 331.445 2.519 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Oc3ccccn3)cc2)C1 1875278101 YVUBCUVLKIJHID-GOSISDBHSA-N 326.352 2.811 0 50 EFAA CC1(C)[C@@H](CNC(=O)[C@@H](C2CC2)N2CCOCC2)[C@@H]1c1ccccc1 1875391868 NUNFWRKECLTWGW-GBESFXJTSA-N 342.483 2.653 0 50 EFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3CCCO)ccc21 1875371842 NCIQYQAWNNYZIT-QGZVFWFLSA-N 342.439 2.529 0 50 EFAA Cc1cc(Oc2ccc(NC(=O)c3cnc4[nH]cncc3-4)cc2)n[nH]1 1875338635 FJBLKOQFIRTKGP-UHFFFAOYSA-N 334.339 2.986 0 50 EFAA C[C@H]1c2cnccc2CCN1C(=O)c1ncn2c1COc1ccccc1-2 1875318182 JOUHOEYTNORTNL-ZDUSSCGKSA-N 346.390 2.919 0 50 EFAA CO[C@H]1C[C@H](c2nnc(Cc3ccccc3Cl)o2)N(C(C)=O)C1 886055081 RKXMEZKFNVXJBA-GXTWGEPZSA-N 335.791 2.622 0 50 EFAA CC(C)(CNC(=O)[C@H]1CCCN1Cc1ccccn1)C1CCOCC1 887392241 GJTPSIXXIHYJOS-GOSISDBHSA-N 345.487 2.615 0 50 EFAA CC(C)Cc1ccc(CN2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)cn1 895938732 KSLGAWDRNQYFSK-HDICACEKSA-N 336.501 2.537 0 50 EFAA CCCC(=O)N1CCN(C(=O)c2cc3c(C)c(F)ccc3[nH]2)CC1 2325769740 GSTMPEGCBYVSDJ-UHFFFAOYSA-N 331.391 2.700 0 50 EFAA CO[C@]1(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CCCOC1 2325791532 METPEDKBZGXKLS-GOSISDBHSA-N 329.400 2.623 0 50 EFAA Cc1cc(C)c([C@@H](N)C(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1 2325851524 BGFPPXUHLFRNIL-MRXNPFEDSA-N 328.368 2.654 0 50 EFAA COc1cccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC 432753 XGTVXJXYSLSUEW-HNNXBMFYSA-N 348.399 2.626 0 50 EFAA Cc1cc(Cl)ccc1NC(=S)N1CCN(c2ncccn2)CC1 477241 GOJASLSTQKFGDR-UHFFFAOYSA-N 347.875 2.957 0 50 EFAA CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)cc1 1865210 NFXNADJZAKUYNM-UHFFFAOYSA-N 339.391 2.713 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)cc2o1 2356147223 NCSDASKIYOUTMQ-LJQANCHMSA-N 336.395 2.980 0 50 EFAA CCOP(=O)(OCC)[C@H](c1ccccc1)N(C)S(C)(=O)=O 2811342 DNXDNNMQTPJSTA-CYBMUJFWSA-N 335.362 2.843 0 50 EFAA COc1cc(OC)c(OC)cc1CNCCc1ccc2c(c1)OCO2 2902823 CXCJPGYVDGUWQK-UHFFFAOYSA-N 345.395 2.773 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 3565773 REMIGQGTEHVZSF-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA O[C@@H](COc1ccc(Br)cc1)Cn1nnc2ccccc21 3893717 QULOBNFAVQKCQU-GFCCVEGCSA-N 348.200 2.634 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 4814426 UCHNOGJQWBWLHE-AWEZNQCLSA-N 343.427 2.765 0 50 EFAA COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC)c1 4840667 YMYGWBKXSBVAOL-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA CNC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1C 6697890 IFKAPRKFSZPXIM-UHFFFAOYSA-N 336.457 2.523 0 50 EFAA C[C@@H](NC(=O)COc1ccc(Br)cc1)[C@@H]1CCCO1 6700221 OTPNPJIEBQCWGN-MFKMUULPSA-N 328.206 2.512 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1C 102136593 VHXMBQAUAYFKJU-FVQHAEBGSA-N 345.439 2.871 0 50 EFAA C[C@@H](CN(C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 110700676 FKWLKNVXGATOIZ-FZMZJTMJSA-N 346.290 2.672 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cc2ccncc2)cc1 100967220 RWUJKUKQJZJHGW-PBWTXFEYSA-N 330.387 2.984 0 50 EFAA COc1ccc2c(c1)C[C@H](NCc1noc(-c3ccco3)n1)CC2 67790330 SKRSPZLSTFUKIB-CQSZACIVSA-N 325.368 2.985 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H](CCO)CC2)c1 421013495 JLOSPOWJDWOVNS-GOEBONIOSA-N 332.444 2.701 0 50 EFAA COc1ccccc1CN(Cc1cccnc1)C(=O)c1csnn1 55243025 SKBGWQVCAFHRHY-UHFFFAOYSA-N 340.408 2.784 0 50 EFAA CC(C)N1CCCn2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2C1 65530514 QYIXGHBEFJYLOD-ZWKOTPCHSA-N 338.455 2.783 0 50 EFAA CCCc1cc(N2CCC([C@@H](C)N3CCN(C)CC3)CC2)nc(C)n1 65404803 GUWSMJNAYFSAJW-MRXNPFEDSA-N 345.535 2.590 0 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349.431 2.883 0 50 EFAA COc1ccc(NC(=O)NC[C@H]2OCCc3ccccc32)c(C)n1 363900258 MNMHAFCOIDUSCJ-MRXNPFEDSA-N 327.384 2.834 0 50 EFAA C/C=C/Cc1nnc(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)o1 71681653 BEUKQKQCORWGJD-ONEGZZNKSA-N 337.383 2.851 0 50 EFAA FC(F)(F)Oc1ccc(-c2nccn2CCCc2nnn[nH]2)cc1 72135452 CXMLPBDZGDJCLI-UHFFFAOYSA-N 338.293 2.595 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3cnccn3)cc2)n1 72434962 NTEBKUFEERSALV-HNNXBMFYSA-N 335.411 2.829 0 50 EFAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1scc2c1CCCC2 215934606 QWTGAHRNJHQNJO-CYBMUJFWSA-N 347.440 2.834 0 50 EFAA O=C(CC1(C(=O)N[C@@H]2C=CCCC2)CCOCC1)N[C@H]1C=CCCC1 332964472 KQICHNMOWKYCMX-DLBZAZTESA-N 346.471 2.623 0 50 EFAA O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cccc(Cl)c1 261753979 LIXMQSDLTINLNL-INIZCTEOSA-N 336.844 2.675 0 50 EFAA CCn1ncnc1CN1CCCN(c2cccc(Cl)c2C)CC1 283950360 ANIHECZSIGNHPY-UHFFFAOYSA-N 333.867 2.972 0 50 EFAA COc1c(F)cc(CN2CCC[C@]3(CC2)CNC(=O)O3)cc1Cl 72157402 NWTRMUPKSNJISR-INIZCTEOSA-N 342.798 2.952 0 50 EFAA Cc1cc(N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)nc(C2CC2)n1 284643860 USSXBSXBKHLXRM-IRXDYDNUSA-N 341.459 2.652 0 50 EFAA C[C@@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1ccnc(O)c1 458822883 BVJQOICINYWKGI-OAHLLOKOSA-N 340.427 2.770 0 50 EFAA CC(C)OCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 222615381 IONVGCAFIUKTGP-GSQSYGFSSA-N 328.412 2.588 0 50 EFAA CN(C)[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 82139212 SGVZCBGJKWRRLG-KRWDZBQOSA-N 334.423 2.777 0 50 EFAA O=C(c1onc2c1CCCC2)N1CCC[C@H](OCc2ccccn2)C1 426531599 MKJSWKISWDZXJZ-HNNXBMFYSA-N 341.411 2.770 0 50 EFAA Cc1nc(N)ccc1-c1ccc(C(=O)N[C@H](C)CCn2cccn2)cc1 426597444 UXUMHFJBIFGZDM-CQSZACIVSA-N 349.438 3.044 0 50 EFAA Cc1cnccc1CNC(=O)N1CCCN(C2CCCCC2)CC1 426583906 CSVKBTRDVJSGJM-UHFFFAOYSA-N 330.476 2.940 0 50 EFAA CCOc1ccccc1N1CN(Cc2cccnc2)CNC1=S 20171293 NREGYCMJCZOBKV-UHFFFAOYSA-N 328.441 2.592 0 50 EFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc2c(c1)CCC2 91906844 INRWWHRNQHZZOM-UHFFFAOYSA-N 334.379 2.893 0 50 EFAA Cc1nn(C)cc1C(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 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343.452 2.751 0 50 EFAA COc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1Cn1cccn1 95360403 QOAWSSPRUJDHIQ-FQEVSTJZSA-N 341.455 2.943 0 50 EFAA CC1(C)CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 293865043 CHGDVITUWMRDGN-DOMZBBRYSA-N 341.498 2.873 0 50 EFAA CC(C)c1cc(CN(C)Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)on1 244734887 NNMAGSWUEKAUMC-BETUJISGSA-N 344.463 2.561 0 50 EFAA O=C(c1ccc(O)c(Cl)c1)N1CCN(C2CCSCC2)CC1 244787969 QHDZIGQHYNFVIQ-UHFFFAOYSA-N 340.876 2.699 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 252550390 SNBTXQACYOYJTB-ULQDDVLXSA-N 339.439 2.708 0 50 EFAA Cc1nc(O)cc([C@H]2C[C@@H](NC(=O)Cc3ccc(C)c(C)c3)C2)n1 253535394 OCMHGUDFVIQCSV-IYBDPMFKSA-N 325.412 2.712 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1ccccc1OC[C@H]1CCCO1 299744974 QJUSZCZMEJUVPK-YMAMQOFZSA-N 347.411 2.618 0 50 EFAA Cc1c(-c2ccc(C(=O)NC[C@H](C)O)cc2)c(C(F)(F)F)nn1C 534577200 GNPKMKMPLZDNSD-VIFPVBQESA-N 341.333 2.525 0 50 EFAA CNC(=O)C1(NC(=O)[C@H](Oc2ccccc2C)C(C)C)CCCCC1 299789898 ACWCOMMWJQTDJE-QGZVFWFLSA-N 346.471 2.964 0 50 EFAA C(=C/c1ccccc1)\CN1CCn2nc(CNc3cnccn3)cc2C1 299797194 QBZWYUGPLRBVLB-QPJJXVBHSA-N 346.438 2.814 0 50 EFAA COc1cnc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1O 299769248 LCSDBVWSCFQULK-IBGZPJMESA-N 326.396 2.990 0 50 EFAA O=C(CCc1cc(O)no1)NC[C@@H](c1ccccc1)N1CCCCC1 299797612 OVAREOUGVIUXLJ-KRWDZBQOSA-N 343.427 2.656 0 50 EFAA Cc1ccc(C)c(CC(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 827848301 HCYIOWKEONPBSP-MRXNPFEDSA-N 328.456 2.753 0 50 EFAA O=C(CCN1CCCCC1=O)Nc1ccccc1OC[C@@H]1CCCO1 828075406 SAIKNOIHPBPXCW-HNNXBMFYSA-N 346.427 2.586 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1424876362 VTSSXJMSCKNAEM-OLZOCXBDSA-N 330.388 2.515 0 50 EFAA Cc1ccccc1[C@H]1CCN(CCNCc2nc(C)c(C)n2C)C1 952979650 OAHGUBYEPJUFRN-SFHVURJKSA-N 326.488 2.924 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc(CN2CCCCCC2)cc1 1565527206 FAGVXSPRDISMGB-OALUTQOASA-N 346.471 2.596 0 50 EFAA CN1C(=O)C2(CCN(C(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2ccccc21 1565514728 QPDAFDKZWNEVLS-XHSDSOJGSA-N 336.435 2.735 0 50 EFAA O=C(c1ccc(-c2c[nH]c3nccc-3c2)cc1)N1CC[C@@H]2CNC[C@@H]21 1565530480 RLBBRWAOFAGNAZ-AEFFLSMTSA-N 332.407 2.615 0 50 EFAA Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](F)[C@H](F)C3)c2)n1 1468271540 MMVANZAHCCMJHJ-OKILXGFUSA-N 348.353 2.675 0 50 EFAA Cc1nnc2ccc(N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nn12 269461614 YAYYQLXFTXBYPU-HOTGVXAUSA-N 341.390 2.664 0 50 EFAA O[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc23)CC(F)(F)C1 631239147 PJDAKEVKBMJAPN-NSHDSACASA-N 348.378 2.960 0 50 EFAA CCO[C@@H]1C[C@H](NC2CCN(Cc3ccccc3)CC2)[C@@]12CCCO2 272632493 BCFYUXNLVWBTEX-HBMCJLEFSA-N 344.499 2.967 0 50 EFAA CC1CCN(C2CCC(NC(=O)NCCOC(C)C)CC2)CC1 186579272 PDUKXJOWTWMRAX-UHFFFAOYSA-N 325.497 2.754 0 50 EFAA c1ccc(CN2C[C@H]3CN(c4ncnc5c4CCCC5)C[C@H]3C2)cc1 684594230 CUZOODQPRVCCCY-HDICACEKSA-N 334.467 2.924 0 50 EFAA Cc1n[nH]nc1C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 188761840 SXQWCLSKNSVMEY-KRWDZBQOSA-N 346.394 2.519 0 50 EFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@@H]3C)cs2)cc1 189091507 QCDLOCDHLBRBSD-LBPRGKRZSA-N 331.441 2.529 0 50 EFAA CCc1c(C(=O)N[C@@H]2CC23CCNCC3)cnn1-c1ccccc1C 644145767 QLPOSNYTJOGYDZ-GOSISDBHSA-N 338.455 2.615 0 50 EFAA CC(C)N1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1=O 661804291 ZJNILUNGYKBHIH-UHFFFAOYSA-N 344.242 2.756 0 50 EFAA Clc1cc2c(N3CC[C@@H](CNc4ccccn4)C3)[nH]cnc-2n1 754677384 YQPBYPDLPQYSGA-NSHDSACASA-N 328.807 2.896 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3cc(-c4csc(C)n4)c[nH]3)C2)n1 671590384 MEANBGWQGMAYFN-NSHDSACASA-N 343.412 2.768 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 779857408 QKIIFFNNWNMIQE-TUVASFSCSA-N 333.432 2.905 0 50 EFAA O=C(c1ccncn1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209994087 MOWMAGHWKSDZFH-MJGOQNOKSA-N 333.391 2.620 0 50 EFAA CCN1CCC(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704358453 NBBWZTYHAGVXLP-UTKZUKDTSA-N 339.483 2.866 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1CCC(=O)N1Cc1ccc(F)cc1 1775973123 LMRMKUZHCQNESU-QGZVFWFLSA-N 344.361 2.772 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC(C3(O)CC3)CC2)c(C)cc1Cl 1772807110 PXUKAJNXGSXPTI-UHFFFAOYSA-N 343.876 2.882 0 50 EFAA CC(C)NC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 14971709 JPCQSYKKXZXOEZ-IBGZPJMESA-N 343.515 2.888 0 50 EFAA Cc1ccccc1CN1CCN(C(=O)[C@H]2CC=CCC2)CCC1=O 14981841 VIKITGDYBMSBEN-KRWDZBQOSA-N 326.440 2.912 0 50 EFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCCC3)C2=O)cc1 15065997 MWZNUQLFWPLCCO-HXUWFJFHSA-N 330.472 2.759 0 50 EFAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N1C12CC3CC(CC(C3)C1)C2 16577139 AVHUMDCECKJPHW-SOZFHFLDSA-N 340.423 2.824 0 50 EFAA COc1cc(CN2C[C@@H]3CCOC[C@]3(CO)C2)ccc1OCC(C)C 1857669551 PYIIRNMFKBQVJI-FXAWDEMLSA-N 349.471 2.561 0 50 EFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)c1ccsc1 1857678218 IVPPULUDVMUMIW-FRQCXROJSA-N 340.448 2.839 0 50 EFAA O=C(NC[C@H]1[C@H]2CN(C3CCCCC3)C[C@]23CC[C@H]1O3)C1CCC1 1857723579 MBVZXXWWNXKMIC-JRBPQWBISA-N 332.488 2.715 0 50 EFAA COc1ccc(F)cc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643893374 UYKVASICGZACTE-OAHLLOKOSA-N 344.390 2.668 0 50 EFAA NC(=O)NC1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 128191247 AVUAVDZVLRBLNR-UHFFFAOYSA-N 349.740 2.632 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)c1ccco1 136470470 CBVBGLKSEIYCRD-CQSZACIVSA-N 342.351 2.611 0 50 EFAA O[C@@]1(Cn2ccnn2)CCN(Cc2ccc(-c3ccccc3)cc2)C1 671491511 WMUSVCGLLQJTGJ-FQEVSTJZSA-N 334.423 2.582 0 50 EFAA Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCC13CCOCC3)CCC2 253395062 MDEKYWJOVLYWAN-CVEARBPZSA-N 346.475 2.717 0 50 EFAA CC[C@H](C(=O)O)C(=O)N(C)Cc1cc(OC)ccc1Br 909920180 CVYFKGFGVSFNMK-NSHDSACASA-N 344.205 2.527 0 50 EFAA Cc1cc(C(=O)NC[C@@](C)(O)c2cccc(Cl)c2)oc1C(=O)O 911501545 VEDGTOLLYFEIOR-MRXNPFEDSA-N 337.759 2.577 0 50 EFAA CC(C)(O)[C@H](Oc1ccccc1)c1nc(-c2cnn(CCF)c2)no1 924398185 BIXYHARJVFOHHL-CQSZACIVSA-N 346.362 2.794 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 931840260 UZUSXQOZGIVOIX-ZDUSSCGKSA-N 342.351 2.502 0 50 EFAA Cc1cc(C)n(Cc2nnc(N[C@@H]3CCOc4ccccc43)o2)n1 849159605 MORASCGQJWNSJG-CQSZACIVSA-N 325.372 2.867 0 50 EFAA O=C(CN1CCN(Cc2ccccc2)CC1)NC1CCCCCC1 20522571 DSOORQIYBLVBIK-UHFFFAOYSA-N 329.488 2.643 0 50 EFAA C[C@H]1CN(CCOc2cccc(C(=O)O)c2)CC[C@H](C(F)(F)F)O1 872167983 PNSAMZNGPQRJCN-SMDDNHRTSA-N 347.333 2.805 0 50 EFAA C[C@]1(NC(=O)c2cc(-c3ccccc3O)[nH]n2)CCCC[C@H]1C(=O)O 874962379 CSLLUZOJSBIRHG-SGTLLEGYSA-N 343.383 2.546 0 50 EFAA CCN(c1cc(C)ccc1C)S(=O)(=O)c1n[nH]c2ncccc12 952963851 MEZUUKVAPJDQBC-UHFFFAOYSA-N 330.413 2.790 0 50 EFAA O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12 1875299356 ILPBSERCMUIUEP-CUGJGTHOSA-N 328.412 2.560 0 50 EFAA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cncc(F)c1 1875253943 RLIVUDPCXADSCQ-LLVKDONJSA-N 326.331 2.632 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)CC1CC(F)(F)C1 886080310 VQQKQZPOUMPBOF-CJNGLKHVSA-N 341.402 2.666 0 50 EFAA O=C1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)[C@@H]2CCCN12 888172115 FOFWPOYOQDLPGK-QGZVFWFLSA-N 337.379 2.668 0 50 EFAA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1n[nH]cc1Cl 1775985362 BRNUQFDJQTWTOL-FPVGNUTFSA-N 325.821 2.634 0 50 EFAA CN(C)Cc1ccc(NC(=O)c2cncc(-c3cc[nH]n3)c2)cc1F 2325857100 PGPUXULDYRXXDQ-UHFFFAOYSA-N 339.374 2.925 0 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Cc1ccc(Cl)cc1CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 241776740 RSARXTCSTCOICR-GFCCVEGCSA-N 348.752 2.818 0 50 EFAA COC[C@H]1CCCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 372040821 FWRJKVQMAOOQQI-LBPRGKRZSA-N 334.391 2.599 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N1CCc3sccc3C1)C2 76127554 SMBLVYUQYMDLFZ-AWEZNQCLSA-N 329.421 2.893 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@@H](c1ccc(F)cc1)C1CCCC1 238093977 YCNCXINTQFXGTN-SJLPKXTDSA-N 348.418 2.722 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1 77341623 ZLLFNFUNKIBEMO-MRXNPFEDSA-N 347.846 2.529 0 50 EFAA Cc1ccnc([C@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1 71749155 XEMHWSIRAJDZHG-GOSISDBHSA-N 335.407 2.547 0 50 EFAA COc1ccc(C(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c(O)c1 283694163 WBXMRCIFPKDMGE-ZIAGYGMSSA-N 339.395 2.595 0 50 EFAA C[C@H]1CN(C(=O)c2nc(-c3ccccc3)cs2)CC[S@@](=O)C1 283744451 HMKWNMXQRAZDHS-AMXDTQDGSA-N 334.466 2.651 0 50 EFAA Cc1ccccc1CNC(=O)CN1CCCC[C@@H]1CCn1cccn1 77391665 PRBOYQODQVQCLC-LJQANCHMSA-N 340.471 2.753 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)CCc2c[nH]c3c(C)cccc23)N(C)C1 284793412 ZKAUOXQRACKQCE-IRXDYDNUSA-N 343.471 2.586 0 50 EFAA COCCN(C(=O)c1cc(C)cc2c(C)ccnc12)[C@H]1CCOC1 341640024 GYUTXSSNONBDFF-HNNXBMFYSA-N 328.412 2.729 0 50 EFAA CC(C)(C)CC(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 177511237 LTWXUDAJWWXYRI-AWEZNQCLSA-N 341.448 2.778 0 50 EFAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225789305 WCVNMKXBALFYLT-FPCVCCKLSA-N 345.395 2.585 0 50 EFAA O=C(CCn1cccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1 290824655 CBFSDESOWRTPNO-IBGZPJMESA-N 340.471 2.692 0 50 EFAA COc1ccccc1COc1cccc(N[C@H]2CCNC2=O)c1C 179373462 BQUJWKPMEBIOQM-INIZCTEOSA-N 326.396 2.883 0 50 EFAA O=C1N(CC2CC2)CCC[C@]12CCN(CCOc1ccc(F)cc1)C2 91690292 OLOQOBVWJCBDGO-HXUWFJFHSA-N 346.446 2.929 0 50 EFAA C[C@H](NCc1noc(C(C)(C)C)n1)c1ccc2c(c1)NC(=O)CO2 179861218 GNNFWKTXUQNNFT-JTQLQIEISA-N 330.388 2.549 0 50 EFAA CC[C@@H](NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccncc1 96434282 ZWCMIOZKAQFNAF-MRXNPFEDSA-N 340.427 2.985 0 50 EFAA 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N[C@H]1C[C@H](c2cc(NCc3ccc4c(c3)OCO4)nc(C3CC3)n2)C1 243893868 AUWGTLNDUBWFTI-HDJSIYSDSA-N 338.411 2.900 0 50 EFAA O[C@H]1C[C@@H]([C@H](NC2CCN(C3CCCC3)CC2)c2ccccn2)C1 244758120 OSSOFUOOSBUHSI-CVAIRZPRSA-N 329.488 2.890 0 50 EFAA CC(=O)Oc1cccc(N(C(C)=O)c2nc(OC(C)=O)c(C)s2)c1 256055369 DQLPKVAZGICWKN-UHFFFAOYSA-N 348.380 2.987 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CCO1 299752202 SVTVPNXFKJPRCW-OAHLLOKOSA-N 347.411 2.714 0 50 EFAA Cc1cnc(CN2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1O 253537384 TZHABTPLZBFWFP-HNNXBMFYSA-N 337.427 2.826 0 50 EFAA Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)no1 252571970 YOTUTHUVQMQKPE-QIIPPGSGSA-N 337.379 2.773 0 50 EFAA S=C(NC1CC1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 253529743 PGSDIRMFGYBOJM-CWLKWCNXSA-N 331.529 2.918 0 50 EFAA CC(C)C[C@H](C(=O)NCc1nc(-c2ccncc2)no1)n1cccc1 263587234 DSGFFBPLCKZGQL-OAHLLOKOSA-N 339.399 2.837 0 50 EFAA Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1OCCCN 299758383 PDDCYUYSPROXQO-UHFFFAOYSA-N 331.416 2.600 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCCCN1CCCCC1 584896681 WWEWVCPDZBCWTN-UHFFFAOYSA-N 347.507 2.696 0 50 EFAA COc1ccc2[nH]c(CNC(=O)Cc3n[nH]c4ccccc34)cc2c1 824758645 YISZSXQDMKRYLQ-UHFFFAOYSA-N 334.379 2.912 0 50 EFAA Cc1cnc(CNS(=O)(=O)c2ccc(Br)cc2C)o1 133403270 BDANINVZXKMIOD-UHFFFAOYSA-N 345.218 2.532 0 50 EFAA CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)NC 1470352724 KMYNWRRPFXKWDG-BZUAXINKSA-N 338.496 2.696 0 50 EFAA CCn1c(C)cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)c1C 276236417 KICJLPCPFJQWSO-PBHICJAKSA-N 330.432 2.508 0 50 EFAA COc1cccc(CN(CCN(C)C)C(=O)[C@H](C)c2cccnc2)c1 170611653 RQXHFFMNUOGXFA-MRXNPFEDSA-N 341.455 2.784 0 50 EFAA O=C(NCc1cccc2ccccc12)N1CCC[C@H](OCCO)C1 188040913 WAKLUAVBLRBAMT-KRWDZBQOSA-N 328.412 2.523 0 50 EFAA C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)c1ncon1 188669562 JFNNVWRDVVGVIC-BDAKNGLRSA-N 329.278 2.733 0 50 EFAA CCCCCC[C@H](CC)C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1 188796758 PHNVLQQMVXPUOX-ZDUSSCGKSA-N 331.420 2.891 0 50 EFAA CCS(=O)(=O)CCN1CCc2c(Br)cc(C)cc2C1 189230228 BWGLAMSBJLLQHN-UHFFFAOYSA-N 346.290 2.550 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)nn1 643707354 UXBSNSRPVFHGQQ-QGZVFWFLSA-N 349.442 2.665 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N(CC(F)(F)F)C1CC1)CO2 194287521 DIYJCDYQNOIHCD-LLVKDONJSA-N 329.318 2.800 0 50 EFAA CC1(c2ccccc2)CC(NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 668375601 MERGEBFBSRDGGX-FTSJTYPLSA-N 339.439 2.525 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccccc1F 219088150 VSQWQGUCYHDCHO-QZTJIDSGSA-N 329.371 2.930 0 50 EFAA COc1ccc(CN(CCN2CCCC2=O)Cc2ccncc2)cc1 1506404992 KGHPLGOHEPGBKE-UHFFFAOYSA-N 339.439 2.715 0 50 EFAA CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 11663925 HRTJENDRJDLCIU-UHFFFAOYSA-N 339.505 2.709 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3cc4ccccc4o3)C2)C1=O 12297944 JAVCPXSBBOXIRK-HXUWFJFHSA-N 342.439 2.894 0 50 EFAA COCCCNc1nc2nonc2nc1NC1(c2ccccc2)CC1 12585801 GPLMGEKEKAFYTR-UHFFFAOYSA-N 340.387 2.562 0 50 EFAA Cc1nc(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)sc1C 13945047 JBNMKGFBCOBUSN-AWEZNQCLSA-N 344.484 2.909 0 50 EFAA CSc1nnc(CN(C)Cc2ccc(C)o2)n1C[C@@H]1CCCO1 15072683 ZXCKJRVZFXQWRF-ZDUSSCGKSA-N 336.461 2.712 0 50 EFAA COc1cc(CN2CCCCC2)cc(I)c1O 16663114 HQHARWYVAIKCQV-UHFFFAOYSA-N 347.196 2.991 0 50 EFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(c2ccccc2)=NO3)s1 169760459 HRCOMPDPMAKTGQ-UHFFFAOYSA-N 341.436 2.970 0 50 EFAA Cc1ccc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)c(C)n1 1857532547 NSVPIYWFGHZZAM-UHFFFAOYSA-N 339.439 2.907 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)C1 1857532613 CQYHCGJEGLMALQ-IPYPFGDCSA-N 345.395 2.622 0 50 EFAA Cc1nn(C)c(C)c1CN1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857672157 NKZKIELBQQBIGT-SJLPKXTDSA-N 349.519 2.958 0 50 EFAA FC(F)(F)Cn1nc(C2CCCC2)nc1[C@@H]1CCc2ncnn2C1 1857672408 CBBCPDNTFPIYHZ-LLVKDONJSA-N 340.353 2.820 0 50 EFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCC(F)(F)F)C1)CC2 1857708266 YQLQSLXHJGGSSX-OAHLLOKOSA-N 343.349 2.640 0 50 EFAA CNC(=O)[C@@H]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 420627310 ZIRPVTKDNDFOCT-MRVPVSSYSA-N 329.347 2.887 0 50 EFAA CCNc1nc(C(=O)N2Cc3ccccc3OC(C)(C)C2)cs1 356602553 ICJMLIPQPLVXLV-UHFFFAOYSA-N 331.441 3.388 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CN)c2cnn(C(C)C)c2n1 156600694 AXUQRLNYLJKRMR-MLGOLLRUSA-N 329.448 2.520 0 50 EFAA O=C(c1ccnc(C2CC2)n1)N1CCNC[C@H]1c1cccc(Cl)c1 261969606 LNBGNPAMBIPLNH-INIZCTEOSA-N 342.830 2.794 0 50 EFAA CC(C)Oc1cc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)ccn1 904742103 NINPBNGTYYBCNV-CYBMUJFWSA-N 339.395 2.852 0 50 EFAA Cc1ccnc(-c2noc(C3CCN(C(=O)C(C)C)CC3)n2)c1F 1875298558 FMORFBBAOAQHIX-UHFFFAOYSA-N 332.379 2.941 0 50 EFAA COC(=O)c1cnc(CNc2cnc(OC(F)F)c(C)c2)s1 1875288007 JOOCHOZZKVHKJI-UHFFFAOYSA-N 329.328 2.847 0 50 EFAA CCOCc1cccc(S(=O)(=O)Nc2cccc3c2CCO3)c1 1875281213 VZMCYDHYYWERMX-UHFFFAOYSA-N 333.409 2.959 0 50 EFAA CCOc1c(Cl)cccc1CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875399724 HZWVYMFKXBFOLD-KBRIMQKVSA-N 349.862 2.865 0 50 EFAA CCNC(=O)CCC(=O)NCCSc1c(C)[nH]c2ccccc12 1305933809 IPSWXWSDRLHUSG-UHFFFAOYSA-N 333.457 2.601 0 50 EFAA Cc1c([C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@@H]2C(=O)O)cnn1C 888079273 QTLHLUYZHSAYBS-MOPGFXCFSA-N 339.439 2.906 0 50 EFAA CN(C(=O)c1c[nH]nc1[C@@H]1CCCNC1)C1CC(c2ccccc2)C1 888102576 DOPKZVVNSHTUBG-KLAILNCOSA-N 338.455 2.895 0 50 EFAA C[C@H]([C@@H]1CCCCN1Cc1ccsc1)N1CCCS1(=O)=O 1775991121 HLPMOIOAEGYYKA-HIFRSBDPSA-N 328.503 2.527 0 50 EFAA COc1cc(F)cc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c1 1775996387 LITNTTYBIMYIAY-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA NC(=O)c1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)s1 2325720876 SEQOIMIZVSENRH-HNNXBMFYSA-N 330.453 2.681 0 50 EFAA FC(F)(F)c1coc(CCN[C@H]2C[C@@H]3C[C@H]2CC32OCCO2)c1 2325777963 SRNGEODPZWPGMI-MJVIPROJSA-N 331.334 2.972 0 50 EFAA O=C(c1cc([C@H]2CCNC2)[nH]n1)N1CC[C@H](c2cccc(Cl)c2)C1 2325788925 TXBFDRBDAYGCQX-KBPBESRZSA-N 344.846 2.770 0 50 EFAA CC(C)(O)[C@@H]1CCN1C(=O)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2325808552 AQGLDIMHIVPKFH-SJORKVTESA-N 330.472 2.659 0 50 EFAA C[C@@H](CF)C(=O)N1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 2325871397 KHAITERVOKGRRV-BBRMVZONSA-N 343.402 2.561 0 50 EFAA COc1ccc2nccc(N3CCN(c4nc(C)ns4)CC3)c2c1 892679476 NIAUJGNCQYBABN-UHFFFAOYSA-N 341.440 2.730 0 50 EFAA CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 96981 SRRLZSOWRRYSNE-INIZCTEOSA-N 333.409 2.743 0 50 EFAA Cc1cccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)c1O 352142 BKXSQRZARAOITK-IAQYHMDHSA-N 342.317 2.954 0 50 EFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)cc1 470487 NGIUIBASNBJFSW-UHFFFAOYSA-N 338.816 2.565 0 50 EFAA S=C(NC[C@H]1CCCO1)N1CCN(c2ccccc2Cl)CC1 4750337 XJHDIJUSOVMJMA-CYBMUJFWSA-N 339.892 2.516 0 50 EFAA Cc1ccc(N2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)nc1 4840564 NWMSTRLVGDIQQR-HNNXBMFYSA-N 335.285 2.904 0 50 EFAA COc1ccc(-c2noc(CNC(=O)c3ccccc3OC)n2)cc1 4850716 SKQFOVMWMVGJHO-UHFFFAOYSA-N 339.351 2.684 0 50 EFAA CC[C@@H](CO)NCc1ccccc1OCC(=O)Nc1ccc(C)cc1 4868113 YACANVFQRQJQLZ-KRWDZBQOSA-N 342.439 2.873 0 50 EFAA CCOc1cc(CNc2nnnn2C)ccc1OCc1cccs1 7602648 NUSCXANTLRFWBW-UHFFFAOYSA-N 345.428 2.861 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCCCC1 8690186 LVDVVBGFVFGWHY-UHFFFAOYSA-N 338.429 2.673 0 50 EFAA COc1cccc([C@H](O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 225325904 AYPWJOHCIQKVNJ-PIPLOTLNSA-N 333.453 2.817 0 50 EFAA CCn1c(C)nnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 225536439 HRJDVSAZDGIPFS-LLVKDONJSA-N 342.369 2.728 0 50 EFAA CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)[C@@H](C)CN(C)C 225600080 NYDDCWKGOXZOAD-HNNXBMFYSA-N 336.524 2.887 0 50 EFAA O=C(COc1ccccc1F)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225680188 MYVKCCIMVKYIST-ZBFHGGJFSA-N 333.334 2.678 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)Nc1cccnc1-n1cccn1 115023947 JCFNPJDMUICRHF-QGZVFWFLSA-N 334.379 2.910 0 50 EFAA CC(C)[C@H]1CN(C)CCN1C(=O)c1coc(COc2ccccc2)n1 55109056 UFABKFYHNCWFIU-QGZVFWFLSA-N 343.427 2.666 0 50 EFAA CCCN(Cc1nccn1C)[C@H](C(=O)O)c1cc(C)ccc1OC 55036573 FINBCPQFGNMKBA-KRWDZBQOSA-N 331.416 2.775 0 50 EFAA CC(C)CCn1c(=O)n(Cc2cccnc2)c2cc(C(=O)O)ccc21 55269802 IHARPXFPSOUEKM-UHFFFAOYSA-N 339.395 2.991 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NC(C(C)C)C(C)C 10314861 OIRMZZKGGPWENO-UHFFFAOYSA-N 326.462 2.777 0 50 EFAA c1ccc(-c2nc3ncccn3c2CN2CCC[C@@]3(CCNC3)C2)cc1 67790190 HALVOMWADJUDOR-NRFANRHFSA-N 347.466 2.972 0 50 EFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc(=O)[nH]c(C)n2)c1 23311228 LUMCLVAYHMMLOT-CYBMUJFWSA-N 343.427 2.594 0 50 EFAA COc1cccc(Cn2c(Cc3c[nH]c4ccccc34)n[nH]c2=O)c1 67934932 QVIIVFHAOCKSSF-UHFFFAOYSA-N 334.379 2.700 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(S(C)(=O)=O)s1 421425764 OUQAIMXETOROFD-SECBINFHSA-N 339.442 2.571 0 50 EFAA CCn1c(C2CCN(Cc3cc(C)ccc3C)CC2)nn(C)c1=O 67773522 VBJFQNDZMWXHKY-UHFFFAOYSA-N 328.460 2.598 0 50 EFAA CCCc1cc(CNC(=O)c2ccc(N3CCC[C@@H]3C)nc2)on1 67921981 JNEFGYLWTAJDQM-ZDUSSCGKSA-N 328.416 2.941 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cccs1 23373262 UHIOHLDLNBSLEG-QGZVFWFLSA-N 334.460 2.956 0 50 EFAA CCn1cc(C(=O)N(C[C@H]2COc3ccccc3O2)C(C)C)c(C)n1 65393370 SAGMASSKIBUEOQ-HNNXBMFYSA-N 343.427 2.902 0 50 EFAA CCCn1ccnc1CN1CC[C@@H](c2cccc(OC)c2)[C@H](O)C1 65490379 VLGUZSKXEMTYKQ-ZWKOTPCHSA-N 329.444 2.652 0 50 EFAA COc1ccc2c(C)nc(N3CCC[C@]4(CCN(C)C4)C3)nc2c1 67881367 CTINJVOPJXJELZ-LJQANCHMSA-N 326.444 2.869 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2ccncc2)[C@@H]1c1cnn(C)c1 328655768 YQXPSPVNZPBUJE-PKOBYXMFSA-N 327.476 2.720 0 50 EFAA COc1cc(F)c(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1OC 281124345 SMOCMLOHGZIXFC-HNNXBMFYSA-N 347.390 2.944 0 50 EFAA C[C@@H]1Oc2c(C(=O)N3CCC[C@@H](n4cncn4)C3)cccc2[C@@H]1C 229436098 LXUNZVLWTUANIV-HZSPNIEDSA-N 326.400 2.640 0 50 EFAA CSc1ccc(C)c(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 253418389 QEJUYKWQNZETNN-ZIAGYGMSSA-N 337.489 2.636 0 50 EFAA CCOC(=O)Cc1nnc(NC(=O)N2C[C@H](C)CCC[C@H]2C)s1 155956677 CRYUYSLIJYCDLD-GHMZBOCLSA-N 340.449 2.686 0 50 EFAA NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 2508379 FFAMLBDWMQBTGZ-UHFFFAOYSA-N 333.269 2.503 0 50 EFAA COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)ccc1O 4387105 IEUVYFKZTNCHJG-GFCCVEGCSA-N 337.331 2.683 0 50 EFAA COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](c1ccccc1)C1CC1 123004771 DZYPJBCCMWCKIC-WBVHZDCISA-N 340.427 2.569 0 50 EFAA CC[S@](=O)c1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 124318665 XCDXFIYQTWAJCX-HSZRJFAPSA-N 330.365 2.501 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 77321496 PIKUKRIKUXOGAM-KRWDZBQOSA-N 349.438 2.701 0 50 EFAA c1csc(CNc2nc3nonc3nc2NCC2CCOCC2)c1 12711645 LQCGXWAVBLCVCB-UHFFFAOYSA-N 346.416 2.525 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(c2cccc(C(F)(F)F)n2)C1 71440396 PDDIKXWBPKHGSM-CQSZACIVSA-N 332.322 2.808 0 50 EFAA CO[C@@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1 438887496 QPMIWMFPUAHXDV-HKUYNNGSSA-N 337.423 2.542 0 50 EFAA CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Cc1cccc(C(=O)O)c1 262091655 COEPTPIWKKDAJG-WBVHZDCISA-N 333.428 2.885 0 50 EFAA Cc1ccc2nc(C3CC3)cc(C(=O)N3CCNC(=O)C[C@H]3C)c2c1 371830013 FXMOBSQMODRFLF-CYBMUJFWSA-N 337.423 2.771 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CCCN(c2ncnc3c2CCC3)C1 71661555 ALFQVXPSIPXGOU-HXUWFJFHSA-N 337.423 2.879 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1 216150539 AYZAQYNGYJEEIX-OAHLLOKOSA-N 348.406 2.735 0 50 EFAA Cc1cccc2c1CCN2C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 172907786 WVGOAJLPVIZYIB-KRWDZBQOSA-N 349.434 2.832 0 50 EFAA Cc1cc(C2CCN(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n[nH]1 332787605 GYTSTSRAUHMYIG-LAQRGFTBSA-N 344.503 2.838 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 77489861 VVKYXKHTTKCCTO-KRWDZBQOSA-N 340.423 2.950 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286148956 GTVXPBZDPPUMGP-ZACQAIPSSA-N 337.847 2.661 0 50 EFAA Cn1cc(CN(C(=O)NCCOc2ccccc2Cl)C2CC2)cn1 426602320 BDYIWDOXMTZTNE-UHFFFAOYSA-N 348.834 2.827 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 291147153 XBDQFDSYDNKKKA-RRFJBIMHSA-N 336.863 2.928 0 50 EFAA CCCn1nc(C)c(NC(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c1C 426510111 KHHBLBZQEJWSAG-OAHLLOKOSA-N 349.479 2.631 0 50 EFAA OCC[C@H]1CN(C2CCSCC2)CCN1Cc1cccs1 19219048 KHXMUJGLLBPLHQ-HNNXBMFYSA-N 326.531 2.512 0 50 EFAA O=C(NCCc1nc2ccccc2o1)[C@@H]1CCCN2CCCC[C@H]12 426538024 BQIKQWPZRJHMRA-GDBMZVCRSA-N 327.428 2.751 0 50 EFAA Cc1c(NC(=O)NC2CCOCC2)cccc1C(=O)N1CCCC1 95511725 YFLHDXHLAAEFOU-UHFFFAOYSA-N 331.416 2.532 0 50 EFAA O=C1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C2(CCCC2)O1 97743223 HXFPYMOHYWENKK-HNNXBMFYSA-N 326.396 2.703 0 50 EFAA Cc1cccc(=O)n1CCC(=O)NCc1csc2c1CCCC2 97784870 JRKXUOWUKJRTQI-UHFFFAOYSA-N 330.453 2.804 0 50 EFAA c1ccc2c(c1)C[C@H](Cc1ccc(N3CCSCC3)nn1)CO2 91305276 XFLKTKHYWZGCMA-CQSZACIVSA-N 327.453 2.824 0 50 EFAA COCCC[C@]1(CO)CCCN(C(=O)c2c(F)ccc(F)c2F)C1 91617054 SMMAKSGHPIUIEB-QGZVFWFLSA-N 345.361 2.745 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)on1 91656191 BVCIPXJDIHPIAL-UHFFFAOYSA-N 341.371 2.590 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1Cl 239438982 ZGULSVCHJUAVDG-MUAIWGBPSA-N 343.766 2.596 0 50 EFAA CCOC(=O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 97679946 FLQXNRZSWFQTRC-UHFFFAOYSA-N 339.461 2.772 0 50 EFAA CCCCCn1nc(C(=O)N[C@](C)(C(N)=O)C(C)C)c2ccccc21 97758812 WLFSZTSBEOZUTQ-IBGZPJMESA-N 344.459 2.856 0 50 EFAA in-vitro COCCn1ccnc1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 91831159 PPBVCIDBCOTFDT-UHFFFAOYSA-N 349.381 2.828 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)c1cccs1 299742496 JQEJYNBRVYECKS-FQUUOJAGSA-N 336.457 2.643 0 50 EFAA COc1ccc([C@H](Nc2nccnc2N(C)C)[C@H]2C[C@@H](O)C2)cc1F 252538461 NBPHPROYDXSQCA-ZENOOKHLSA-N 346.406 2.614 0 50 EFAA CCn1cc(C2CCN(C[C@@H]3CCO[C@H]3c3ccnn3C)CC2)cn1 299740669 AZXSAHREHRRNAE-QFBILLFUSA-N 343.475 2.594 0 50 EFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CCC[C@H]1CCCO1)cn2C 252510103 ZBLCVBXUTRSPBS-HNNXBMFYSA-N 342.439 2.878 0 50 EFAA Cn1nc(C(=O)NC(C)(C)CN2CCCCCC2)c2ccccc21 299765225 KNDFWLBJLUPUTE-UHFFFAOYSA-N 328.460 2.958 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCCSc3nc(C)n[nH]3)CC2(C)C)cc1 299778200 MFRGVZWCEGOHNH-GOSISDBHSA-N 344.484 2.998 0 50 EFAA CCn1nc(C)c(NC(=O)NCCSc2nnc(C)s2)c1C 299777000 JASZQXBYYWQSLS-UHFFFAOYSA-N 340.478 2.594 0 50 EFAA Cc1cc(C(=O)NCc2cncn2CC(C)C)cc2sc(N)nc12 821502128 KFFSOWREGSRXBI-UHFFFAOYSA-N 343.456 2.969 0 50 EFAA CCC(=O)N1CCC[C@H]2CN(C(=O)c3cc(C(C)C)on3)CC[C@@H]21 973698013 VEVQXVYJWWBPJG-ZFWWWQNUSA-N 333.432 2.661 0 50 EFAA C[C@H]1CC[C@H](C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)CC1 1565529451 IHDXBADWZYDZAY-XASIKMQRSA-N 343.423 2.902 0 50 EFAA CCn1nccc1CN(CCO)C(=O)c1ccc(F)c2ccccc12 408515507 AQBHHDSOJOEDKU-UHFFFAOYSA-N 341.386 2.830 0 50 EFAA O=C(Nc1[nH]c(=O)ncc1F)c1ccc(Cl)cc1Br 170605951 UOPMJNCZUJEWBZ-UHFFFAOYSA-N 346.543 2.577 0 50 EFAA CC(=O)NC1(c2noc(C[C@H]3CCCC(C)(C)C3)n2)CCN(C)CC1 170692282 HEQOEKWQABUPOQ-OAHLLOKOSA-N 348.491 2.886 0 50 EFAA COc1ccc2[nH]cc(C3CCN([C@H](C)c4nnnn4C)CC3)c2c1 188882636 KIFVBLAZHXHCEN-GFCCVEGCSA-N 340.431 2.641 0 50 EFAA COc1cccc(Cl)c1CNC(=O)Nc1c(C)ccn(C)c1=O 192318840 QSOXBVASVURZLQ-UHFFFAOYSA-N 335.791 2.677 0 50 EFAA CC(C)(N)C(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 662760409 WLUUUXCKNXPEKF-GOSISDBHSA-N 343.515 2.873 0 50 EFAA CCc1ccc([C@@H](CNC(=O)N[C@H]2COC(C)(C)C2)N(C)C)cc1 663449224 OJQDIDAHMNNOLT-IAGOWNOFSA-N 333.476 2.718 0 50 EFAA COCC1(C)CCN(c2nnc3ccc(Br)cn23)CC1 663769709 MHSNRGAXHFUJJI-UHFFFAOYSA-N 339.237 2.745 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(c2cc(Nc3ccccc3)ncn2)CC1 663877616 HPAUTXJNGZTFHY-OAHLLOKOSA-N 346.456 2.624 0 50 EFAA COc1ccc(COCC(=O)N2CC[C@@H](c3ccccn3)C2)cc1 798711827 XHXGKWQLFXDSPA-MRXNPFEDSA-N 326.396 2.623 0 50 EFAA O=S1(=O)C[C@H]2Sc3nc(-c4ccc(Cl)cc4)cn3[C@H]2C1 5009549 FDLFVVXHBPTOQI-NWDGAFQWSA-N 326.830 2.647 0 50 EFAA CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 5247210 AMPYTXNFJQTCHU-SNVBAGLBSA-N 337.272 2.756 0 50 EFAA CSCC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12467014 CIQMFISTVWAWOB-ZDUSSCGKSA-N 333.375 2.838 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-n2cnnn2)cc1 12789962 CORFRQWNTXUFES-UHFFFAOYSA-N 332.367 2.715 0 50 EFAA CCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 14974759 NAYXOCIKGJJKEJ-SFHVURJKSA-N 336.382 2.716 0 50 EFAA CCc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1 16648386 AUANLJXJAIQYET-UHFFFAOYSA-N 325.347 2.803 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(CC(F)(F)F)cc1)C2 1857669242 OGMKQTRZDVGFMT-JKSUJKDBSA-N 329.362 2.622 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCc1nc2ncccc2o1 1857723284 YLXDLJCSBOSHOY-UHFFFAOYSA-N 333.351 2.851 0 50 EFAA Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)s1 328634275 TYBGVVNJPMAQAS-WMLDXEAASA-N 346.500 2.945 0 50 EFAA COc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n1 252481686 CQJHMIZXLVMVQO-XLNGHYISSA-N 347.459 2.561 0 50 EFAA CN(CCO)C1CCN(C(=O)c2cscc2-c2ccccc2)CC1 355791240 IKCDRXKFAASPJU-UHFFFAOYSA-N 344.480 2.944 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)on1 253600784 ZGABEJMWZIPMPJ-IRXDYDNUSA-N 325.412 2.720 0 50 EFAA O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@H]1CO 155921907 YODURBJCKNQUTJ-UFBFGSQYSA-N 338.276 2.735 0 50 EFAA Cc1cccc2[nH]c(CCC(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)nc12 261691696 JAUXUFOVJICETI-DLBZAZTESA-N 348.450 2.757 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C/C=C/c2ccc(OC)cc2)C[C@@H]1O 1704313302 IKZZJMSVGRCHQE-GFXSFYIYSA-N 333.428 2.646 0 50 EFAA O=C(O)c1ccc2c(c1)CCN(C(=O)c1cnn(C3CCC3)c1)C2 907760451 HEJVJCCYVOJBDI-UHFFFAOYSA-N 325.368 2.505 0 50 EFAA CCC(=O)N1CCCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 812312400 UFKBVJGJCSPDIQ-HNNXBMFYSA-N 344.377 2.683 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCn2c(cnc2C(F)(F)F)C1 930574603 XTCWNOCIAGUQNR-UHFFFAOYSA-N 343.309 2.808 0 50 EFAA Cc1ccc(Nc2nc(Cl)c(CNC3(C(N)=O)CC3)s2)cc1 952964077 OVINYFKYQIOTBI-UHFFFAOYSA-N 336.848 2.956 0 50 EFAA C[C@H](NC(=O)CCc1cccc(OC(F)F)c1)c1nn(C)cc1O 952993491 YLRKTMSYSHVAKW-JTQLQIEISA-N 339.342 2.537 0 50 EFAA CON1CCC(CC(=O)NCCOc2c(F)cccc2Cl)CC1 1875298265 USQYOWVSZMBVGN-UHFFFAOYSA-N 344.814 2.638 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cnc3c(Cl)cccc3c2)cn1 1875378716 JHKAPHGUTKPKFZ-RCDICMHDSA-N 328.803 2.885 0 50 EFAA COC[C@]1(C)CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875311194 PNLFIZZFJXQYPX-CQSZACIVSA-N 331.338 2.735 0 50 EFAA COc1ccn2c(C(=O)N3CC[C@H](c4cnccc4C)C3)cnc2c1 885748283 OOESCOCQXVDCJO-AWEZNQCLSA-N 336.395 2.676 0 50 EFAA Cc1nc([C@H]2CCCN2c2cc(C(F)F)nc3ncnn23)[nH]c1C 895194001 ALCZFWFTFREMRY-LLVKDONJSA-N 333.346 2.743 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2ncnc3cc(Cl)ccc23)C1 1775957300 MQSOUUUAIBGEQL-SMDDNHRTSA-N 345.790 2.941 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2CCc3c[nH]nc3C2)C(C)(C)C1 1775984813 IPUPJEYHOZNNNF-DZGCQCFKSA-N 334.464 2.502 0 50 EFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@H]2CCOC2)s1 2325781360 IIFSSEDPOXPNAH-YPMHNXCESA-N 346.456 2.514 0 50 EFAA Cc1cnc([C@H](C)N2CC[C@H](NC(=O)c3ncccc3C)[C@H](C)C2)o1 2325838988 FNRHYBOXYCRVHT-KBMXLJTQSA-N 342.443 2.888 0 50 EFAA C[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)N1CCC(Cc2ccccc2)CC1 245565353 WQNADXJXJMDERL-VDGAXYAQSA-N 344.499 2.749 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3cnc4c(C)cccn34)C[C@H]21 2356164193 IXFLACCRHJSIFB-VPWXQRGCSA-N 341.455 2.585 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(F)(F)F 3958719 FVDBLUXDJHEMKX-UHFFFAOYSA-N 348.280 2.940 0 50 EFAA CCOc1cc(CN2CCN3CCC[C@H]3C2)ccc1OC(F)F 245731702 JWIJVHWOOYZWMF-AWEZNQCLSA-N 326.387 2.967 0 50 EFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 100748954 AUNDLLMWDDFCML-STEAMIEHSA-N 349.386 2.776 0 50 EFAA Cc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)c1C 246678206 CBBFGNJPYFEVEL-UBHSHLNASA-N 342.361 2.938 0 50 EFAA CCCN1C[C@H](C(=O)N(Cc2ccccc2OC)C2CC2)CCC1=O 55341053 BZDCSQPAKOKDEJ-MRXNPFEDSA-N 344.455 2.835 0 50 EFAA CC(C)CCN1CCN(Cc2cc(F)ccc2F)C[C@@H]1CCO 20785077 ZGVIOAWMWYBSHF-KRWDZBQOSA-N 326.431 2.880 0 50 EFAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1n[nH]c2c1CCCCC2 170622139 QMNFNYXKEAWXNL-YOEHRIQHSA-N 330.476 2.673 0 50 EFAA COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(OC)c1 8106186 AVTVNCOHSDEZRU-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 331857345 FKZQPBKMFOYLDB-YVEFUNNKSA-N 347.365 2.574 0 50 EFAA CCOc1c(OC)cccc1-c1nc2c([nH]1)CC(C)(C)CNC2=O 65528568 VUICYHNQGWBQQL-UHFFFAOYSA-N 329.400 2.796 0 50 EFAA O=C(c1cnn2ccncc12)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 253425545 FSGLFRMMMWWZLU-ZDUSSCGKSA-N 342.349 2.712 0 50 EFAA COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)[C@H]2CCO[C@H]2C)c1 331610878 NQZZVGAOEALNTO-PYTWLRIVSA-N 339.457 2.585 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2ccccc2nc1O 253585478 AFZRHTYCYXDYDA-RCBQFDQVSA-N 340.379 2.798 0 50 EFAA CS(=O)(=O)[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 282139724 NCRCDMYSLNIHGA-CYBMUJFWSA-N 335.450 2.674 0 50 EFAA Cc1cnc2c(C(=O)N(C)Cc3cc(-c4ccccc4)no3)cnn2c1 72469328 IBYOPFAPSYTVSD-UHFFFAOYSA-N 347.378 2.965 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@H](C)C(=O)NC1CCCC1 257365368 RNDWLSNDHCEMSE-OCCSQVGLSA-N 338.883 2.966 0 50 EFAA CCN(Cc1ccc(-c2ccn[nH]2)o1)C[C@@H](O)c1cccc(O)c1 215280221 ORTAYVHEMLOZBM-QGZVFWFLSA-N 327.384 2.931 0 50 EFAA CCOc1ccc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)o1 72119495 GWHFQWIWLAEAPF-OAHLLOKOSA-N 348.443 2.787 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N(Cc1ccncc1)C1CC1 156167411 WVVOUCMAHVICDC-KRWDZBQOSA-N 341.415 2.654 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1 237526580 WIBXZSIQADQUNC-YOEHRIQHSA-N 325.412 2.612 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(-c3ccncc3)nc2)C1 71749258 LTEDEROZWYLYLC-MRXNPFEDSA-N 338.455 2.851 0 50 EFAA C[C@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)C[C@@H](C)O1 241630890 PMFTXGXJFGGJMU-SCAQPMJSSA-N 334.435 2.674 0 50 EFAA O[C@@H](C[C@@H]1CCCN1Cc1ncnn1-c1ccccc1)c1ccco1 241776885 RTINWWJNGQJVIS-IRXDYDNUSA-N 338.411 2.948 0 50 EFAA c1ccc(-c2noc([C@@]34CCC[C@@H]3CN(CCn3ccnc3)C4)n2)cc1 242191282 XEIFKDWUUKKSNK-YLJYHZDGSA-N 349.438 2.987 0 50 EFAA OCc1ccccc1CN1CCN(Cc2cccc3[nH]ccc23)CC1 216390998 NEVXMYMHYIPEGO-UHFFFAOYSA-N 335.451 2.978 0 50 EFAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 262964178 QPGCJHIWGKWOCE-GOSISDBHSA-N 344.455 2.504 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1 285646631 XLRQLTOTEACRJZ-HXUWFJFHSA-N 340.471 2.831 0 50 EFAA O=C(CSc1ccncc1)N1CCC(OCc2cccnc2)CC1 222323664 WYEXUDGNJUOAJP-UHFFFAOYSA-N 343.452 2.777 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H](C)c2ccc(F)cc2F)C1 263101489 AZPLIXOMVFSKLF-MXWKQRLJSA-N 326.343 2.778 0 50 EFAA CN1CCOC[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 223112985 GNXAEKSBPGHVLU-KRWDZBQOSA-N 338.451 2.513 0 50 EFAA CCC1(CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CCC1 176331729 ITWNLRXEQIMQBZ-GOSISDBHSA-N 330.472 2.881 0 50 EFAA CCCC[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1F)C(N)=O 426641498 XHELKFAIRFXYRU-LBPRGKRZSA-N 349.328 2.688 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)CCc1c(C)nn(C)c1C 82127806 NPPQGSVCYNGYKW-UHFFFAOYSA-N 345.447 2.669 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 177329881 FTCJAKHXPIHBMY-NVXWUHKLSA-N 341.411 2.736 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](c1cccc(F)c1)N(C)C 223421984 FWMJADBVGCOBNZ-GOSISDBHSA-N 346.450 2.860 0 50 EFAA NCCOc1ccc(CC(=O)NCc2ccc3c(c2)CCCC3)cc1 426530539 SBZBYUWLTALTKS-UHFFFAOYSA-N 338.451 2.762 0 50 EFAA COc1cccc2c(N3CCN(C4CCOCC4)C[C@H]3C)ccnc12 225644597 BVCXKMRVYNXTSL-OAHLLOKOSA-N 341.455 2.933 0 50 EFAA COc1cccc(CCNC(=O)c2ccnc(C(C)C)n2)c1OC 426548483 IXDFBSGGDPDAIB-UHFFFAOYSA-N 329.400 2.590 0 50 EFAA O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@@H]1c1nccs1 95369806 HZMSURRLXMGHKU-OAHLLOKOSA-N 347.440 2.546 0 50 EFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)[C@@H]1CCNC1 179047059 DKFDVXWLJCUGBT-CYBMUJFWSA-N 349.431 2.604 0 50 EFAA CN1CCCCC[C@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 97528039 ALIYJRUXUQUVSA-IBGZPJMESA-N 338.455 2.880 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)[C@@H]1CCNC1 179049812 HPYFGCWVAWXDKC-CQSZACIVSA-N 333.432 2.615 0 50 EFAA O=C1N[C@@H](C(=O)NCc2ccccc2CN2CCCCCC2)CS1 266149665 SRYNCZQZPWDIDL-MRXNPFEDSA-N 347.484 2.504 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ccc(N)c3cccnc23)CC1 95494824 QHYNCBGTMCIGAP-UHFFFAOYSA-N 328.416 2.874 0 50 EFAA O=C(O)[C@H](c1cccc(O)c1)N1CCCN(C2CCCCC2)CC1 95377908 GVXIMSKXNGCIGE-SFHVURJKSA-N 332.444 2.858 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc2nccn2c1 91871788 LHVGRYMVSXUMRH-QGZVFWFLSA-N 331.379 2.702 0 50 EFAA CN(CCN(C)C1CCCC1)C(=O)[C@H](c1ccccc1F)N(C)C 95371924 WTZWQSIARAMLFO-SFHVURJKSA-N 335.467 2.761 0 50 EFAA CN(CCCN1CCCCCC1)C(=O)c1cnc2ccccc2n1 244773799 PGWOBZBURHLAOG-UHFFFAOYSA-N 326.444 2.968 0 50 EFAA CC[C@@](C)(NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1nc(C)cs1 182864491 OASHQNPXPVTNFI-GOSISDBHSA-N 343.452 2.930 0 50 EFAA C[C@@H]1CCCCN1C1CN(CCCOc2ccc(C(=O)O)cc2)C1 252507817 WUHIMYDMEWUENY-OAHLLOKOSA-N 332.444 2.712 0 50 EFAA Cc1ccc(C2(Nc3ncc(F)c(N4CCOCC4)n3)CC2)cc1 534673613 PRSFMPKANVTHFD-UHFFFAOYSA-N 328.391 2.862 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)NCC1(N(C)C)CCCC1 534592128 SIQUAQOGEINUMO-UHFFFAOYSA-N 349.479 2.743 0 50 EFAA CCn1nc(-c2c[nH]c3ccccc23)nc1[C@H](C)N1CCN(C)CC1 823600762 UYMOPUUSRYMDGM-AWEZNQCLSA-N 338.459 2.755 0 50 EFAA Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCCN3C(C)C)CC2)c1 670446582 HDAZEURRSDRPOQ-IBGZPJMESA-N 344.503 2.699 0 50 EFAA CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)c1cccc(C)c1C 1363402662 XEOJOUMRBGJHQH-AWEZNQCLSA-N 342.399 2.576 0 50 EFAA Cc1cccc2cc(CN[C@@H]3CCCN(C(=O)C(C)C)C3)c(O)nc12 952965362 DWVJNHRWLFGGBV-QGZVFWFLSA-N 341.455 2.985 0 50 EFAA OC[C@@H]1CCCN(CCNCc2ccc3cc(Cl)ccc3n2)C1 952988084 NDXZWXDURDMYBA-CQSZACIVSA-N 333.863 2.682 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)S(=O)(=O)c1cc(F)ccc1F 952983729 QLCQSSKIJUKZJO-UHFFFAOYSA-N 343.399 2.558 0 50 EFAA Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)c1Cl 408490278 AAPDPJUQNDGLHR-LURJTMIESA-N 344.166 2.762 0 50 EFAA OC[C@H](C[C@H](O)c1ccccc1)NCC1=Cc2ccccc2OC1 269944205 PTCUKJQUTIIAIY-OALUTQOASA-N 325.408 2.537 0 50 EFAA Cn1ccnc1-c1cc(NC(=O)CCc2ccc(O)c(Cl)c2)[nH]n1 165159508 JAOZFNDRNJQNRD-UHFFFAOYSA-N 345.790 2.741 0 50 EFAA Cc1cc(-n2cncn2)ccc1C(=O)O[C@@H](c1ncccn1)C1CC1 170595873 DCVMFYRTAUZZCD-MRXNPFEDSA-N 335.367 2.674 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)Cc2ccccc2Cl)c(C)o1 170592045 XNAQGCQDVGSVFQ-UHFFFAOYSA-N 327.789 2.597 0 50 EFAA Cc1cc(NC(=O)[C@@H]2COc3ccccc3C2)n(-c2ccccn2)n1 171308789 QVXIMMSIWAEZCK-HNNXBMFYSA-N 334.379 2.766 0 50 EFAA CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCO[C@H](C)C2)c1 171312705 CZGJNHJKWVPHLY-HUUCEWRRSA-N 347.459 2.992 0 50 EFAA CC1=C(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)CCCO1 275685937 PJBBWKJIHIBRST-HNNXBMFYSA-N 349.431 2.861 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)[C@H]1CCCCN1Cc1ccccc1 188687654 RGEHVGWBAAYISF-MRXNPFEDSA-N 340.427 2.618 0 50 EFAA CC(=O)N1CCc2cc(NC(=O)N3CCSC[C@@H](C)C3)ccc21 192185247 JMXLAPFPORJRSQ-LBPRGKRZSA-N 333.457 2.812 0 50 EFAA O[C@H](COCc1ccco1)CN1CC2(CCOCC2)c2ccccc21 192283723 IIGWETDCHVDXNT-INIZCTEOSA-N 343.423 2.726 0 50 EFAA COc1ccc(CN(C)C(=O)Cn2ccc3ccccc3c2=O)cc1 192981561 HZBXKBGGRVHUPB-UHFFFAOYSA-N 336.391 2.669 0 50 EFAA C[C@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 193639269 RMYZGERZDZIEEC-NSHDSACASA-N 343.349 2.682 0 50 EFAA CC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)C1 652389921 OJICQKRSYNYXLL-FZMZJTMJSA-N 345.226 2.720 0 50 EFAA CCS(=O)(=O)C1(CNCc2csc(-c3ccsc3)n2)CC1 657757319 FLRVHOBBHFMAIR-UHFFFAOYSA-N 342.511 2.929 0 50 EFAA COc1cc2nc(N3[C@H]4CC[C@H]3CC(C)C4)nc(N)c2cc1OC 664593992 VHZDFAXWPQKCQI-RYUDHWBXSA-N 328.416 2.997 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)c1 675939954 PCLCVCHPSGTWPK-QGZVFWFLSA-N 339.395 2.576 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1cnc2ccccc2n1)C1CC1 1506416712 YEJXOCBMXZKHPF-UHFFFAOYSA-N 335.411 2.785 0 50 EFAA COCc1noc(CN2CCCC[C@@H]2CCc2cccc(O)c2)n1 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O=C(COc1ccccc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 222791898 YWMJHSHDPUDUFG-RTBURBONSA-N 341.407 2.556 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 135734238 UJSPOGZSUSQIOC-WMHQRMGPSA-N 345.395 2.939 0 50 EFAA CCC[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NS(C)(=O)=O 82139129 SEWPTAAFSDSPIE-GDBMZVCRSA-N 336.457 2.583 0 50 EFAA COC(=O)c1cnc(O)c(C(=O)OC)c1/C=C/Nc1ccc(C)cc1 226075967 MRLWBHZPQHRCSA-CMDGGOBGSA-N 342.351 2.752 0 50 EFAA CC(C)Cn1cncc1CNC(=O)CN1CC[C@@H](c2ccccc2)C1 222934037 OCPIHAIIPAUXOZ-GOSISDBHSA-N 340.471 2.645 0 50 EFAA Cc1ccnc(-c2ccc(NC(=O)N(C)[C@H](C)C[S@@](C)=O)cc2)n1 160386837 QEZZUDNHLZSEKP-OZAJXLCCSA-N 346.456 2.683 0 50 EFAA Cc1ccc2ncccc2c1CNC(=O)c1cccc(OCCN)c1 426422696 AVLQCQSUSVSXIZ-UHFFFAOYSA-N 335.407 2.811 0 50 EFAA COc1ccc([C@H](NC(=O)Nc2cncnc2OC)C2CC2)cc1 178204286 ONLSLLAGRQICTE-OAHLLOKOSA-N 328.372 2.767 0 50 EFAA Cc1nsc(C)c1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 292186849 HLZGNFDKNOFTTF-CYBMUJFWSA-N 341.440 2.822 0 50 EFAA Clc1ccc(-c2ncc(CN3[C@H]4CC[C@@H]3[C@@H]3CNC[C@@H]34)cn2)cc1 426429104 UKXCBUIQHHXXHC-USTZCAOPSA-N 340.858 2.979 0 50 EFAA Cn1nccc1-c1cccc(-c2nccc(N3CCC[C@H](O)C3)n2)c1 97578377 GIDJGWAYLCHIMN-INIZCTEOSA-N 335.411 2.505 0 50 EFAA CC(=O)c1cc(C(=O)NC(C)(C)CC2Cc3ccccc3C2)[nH]n1 97713531 XYEFFAARRAJDEB-UHFFFAOYSA-N 325.412 2.926 0 50 EFAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2-c2ccccc2)[C@H]2C=C[C@H]1O2 239235890 WYABQGRVQPUFTQ-BRSBDYLESA-N 335.359 2.946 0 50 EFAA COc1ccccc1CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237146293 BKZCDWPGUIVTAV-QGZVFWFLSA-N 339.391 2.666 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 96140468 YEFOLAUGWNUQIJ-CQSZACIVSA-N 340.445 2.513 0 50 EFAA Cc1nc2c(c(N3CCC[C@@H](O)CC3)n1)Cc1ccccc1OC2 95523831 OVNPGBHDJQTPDI-OAHLLOKOSA-N 325.412 2.619 0 50 EFAA C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc2ccccc2[nH]1 97729506 IDCHJFHBAAEXDP-MRVPVSSYSA-N 337.305 2.806 0 50 EFAA CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 95385340 MQGYPCZPPXVWSJ-NVXWUHKLSA-N 330.476 2.516 0 50 EFAA CN(C)[C@H]1CCN(Cc2cc3ccccc3n2C)C[C@H]1CCCO 91665509 KTDAMDFDLZNFHO-MJGOQNOKSA-N 329.488 2.703 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CCOc2ccccc2C1 97619061 JHCQHNJCDZBTME-INIZCTEOSA-N 327.428 2.717 0 50 EFAA CC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)C1 244741990 OACVUOXODWYJKO-VAMGGRTRSA-N 344.499 2.954 0 50 EFAA Cc1c(N[C@@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@@H](C)C1=O 296162194 WOGONSKPFOUIAV-UONOGXRCSA-N 343.427 2.953 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1-n1cnnn1 390828692 SXVIMENBIVJQQV-KRWDZBQOSA-N 348.410 2.733 0 50 EFAA biogenic CCOC(C)(C)c1nc(COc2ccccc2)nn1CC(C)(C)O 823293746 PPWXLVGURQTKDN-UHFFFAOYSA-N 333.432 2.900 0 50 EFAA COCCN(Cc1ccc(C)cc1)C(=O)NCC[C@H]1CCCN(C)C1 584884369 KAKLQVHQWDRWGJ-GOSISDBHSA-N 347.503 2.885 0 50 EFAA CCOc1cccc([C@@H]2CC(=O)Nc3nc(SC)nc(O)c32)c1 670416156 SNZXPLRLPHKPNP-NSHDSACASA-N 331.397 2.777 0 50 EFAA CCc1nccn1CCC(=O)Nc1cc(C)c2nc(N)sc2c1 952971837 YJORCFOVPPAPSU-UHFFFAOYSA-N 329.429 2.975 0 50 EFAA CCc1noc(C)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565509998 YVLQVTUHTNFGHL-IRXDYDNUSA-N 344.411 2.650 0 50 EFAA O=C(OC[C@@H]1CCCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1 170655486 SCLQDTCEZBVMTQ-INIZCTEOSA-N 331.343 2.703 0 50 EFAA Cc1cc(C)cc(C2(C(=O)OC[C@H]3CCCN3C(N)=O)CCC2)c1 170632449 FJIXWTFIUMUKIH-MRXNPFEDSA-N 330.428 2.811 0 50 EFAA Cc1noc(C(C)C)c1C(=O)Nc1cccc(CN2CCOCC2)n1 271092852 VMYXOXVBYIIBII-UHFFFAOYSA-N 344.415 2.586 0 50 EFAA CC(C)(C)OC1CC(Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)C1 272261076 AQWIJFDFXRVKCH-DAWZGUTISA-N 345.487 2.894 0 50 EFAA Cc1cc(NC(=O)NCCn2ccnc2)cnc1N1CCCC[C@H]1C 272645712 FKZSMPQEODOHRW-OAHLLOKOSA-N 342.447 2.787 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4ccccn4c3)CCO2)o1 275521261 YBHGYEOXRMAAIE-HNNXBMFYSA-N 340.383 2.659 0 50 EFAA CO[C@H]1C[C@H](c2nc(CCCc3ccccc3)no2)N(C(C)=O)C1 275636152 NIJOMKJMUYLIRN-JKSUJKDBSA-N 329.400 2.553 0 50 EFAA COc1nc(C(=O)N(C)CC2(N(C)C)CCC2)cc2ccccc12 187022204 YVRXRTABZXIWLN-UHFFFAOYSA-N 327.428 2.800 0 50 EFAA C[C@H](Cc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 188272909 VHCKZHFTXJUJDU-RISCZKNCSA-N 335.249 2.576 0 50 EFAA CC(C)(C)[C@H]1OCC[C@@H]1CNCc1cnc(N2CCOCC2)s1 189236008 KCWNWDRUEZJXKL-HIFRSBDPSA-N 339.505 2.521 0 50 EFAA CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(Br)o1)CC2 192983852 NWOROZPGALYDFD-NXEZZACHSA-N 339.237 2.862 0 50 EFAA Cc1cccc2c1O[C@H](C(=O)N1C[C@@H](C)C(=O)Nc3ccccc31)C2 659364305 KAORSKXHTWHANE-DYVFJYSZSA-N 336.391 2.920 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N(C)Cc1ccccc1-c1ccccc1 663103184 SARCSOOEZOKEHJ-IBGZPJMESA-N 327.380 2.802 0 50 EFAA Cc1cnc([C@H](C)NC(=O)N2CCN(c3ccccc3)C(=O)C2)s1 680914664 SZWCCLURTRMALD-ZDUSSCGKSA-N 344.440 2.571 0 50 EFAA C1CC(N2CCC(NC3CSCCSC3)CC2)CCS1 1506417963 MRABVAYVTDESGB-UHFFFAOYSA-N 332.604 2.785 0 50 EFAA C[C@H]1Oc2ccc(NC(=O)c3cc(C4CC4)no3)cc2N(C)C1=O 1506410193 DWMYXDWFYUSVEE-SECBINFHSA-N 327.340 2.548 0 50 EFAA O=C(CN1CCC([C@H](O)c2cccs2)CC1)N1CCCCCC1 1529110784 OUHKGLZGLGGYSF-SFHVURJKSA-N 336.501 2.896 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2n[nH]c3c2COCC3)C[C@H](C(C)C)O1 1529196373 YRHHSGKKMDTRCY-CZUORRHYSA-N 335.448 2.538 0 50 EFAA Cc1ccc(C(=O)N2CCCN(C(=O)Nc3ccccc3)CC2)cn1 1772811096 OZGSAJDEJZZFRO-UHFFFAOYSA-N 338.411 2.770 0 50 EFAA CCCCN1C(=O)CC[C@H]1CCNCc1ccc(C(=O)OC)cc1 11880700 ZZNMYQCUQZMZFF-KRWDZBQOSA-N 332.444 2.744 0 50 EFAA CO[C@@H](C[C@@H](OC)n1nnc2ccccc21)n1nnc2ccccc21 15772689 RXQRKOYGDKYFNW-CALCHBBNSA-N 338.371 2.556 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@H]2CN(C)CCO2)cn1 1857677835 OCZWOTJFCBWFGF-QGZVFWFLSA-N 349.438 2.646 0 50 EFAA O[C@H]1CN(Cc2ccc3cccc(F)c3n2)C[C@H]1Cc1ccncc1 1857714720 IVYFONLDBFGELZ-APWZRJJASA-N 337.398 2.804 0 50 EFAA COc1ccc(C2=NO[C@H](CNC(=O)c3ccsc3)C2)cc1F 225768557 KRDOFSSBLALVKT-LBPRGKRZSA-N 334.372 2.819 0 50 EFAA CN1CCN(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nc2)CC1 1875245315 UZJHLZWYTLQLBD-UHFFFAOYSA-N 333.439 2.886 0 50 EFAA Cn1nncc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 225566990 GNWKKKAWAGOGLI-UHFFFAOYSA-N 325.806 2.906 0 50 EFAA CCc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 632771086 YAFLJZKMFCGBOP-INIZCTEOSA-N 344.434 2.829 0 50 EFAA CCOC(=O)N1CCC(N[C@@H](c2ccccc2)c2ncc[nH]2)CC1 125714427 XFZYDLWMUUJGJL-INIZCTEOSA-N 328.416 2.710 0 50 EFAA Cc1ccc(-c2cnc(CCC(=O)N3CC[C@H](C(=O)O)C3)o2)cc1 237731036 JCQYFBDUXIPYTC-AWEZNQCLSA-N 328.368 2.516 0 50 EFAA Cn1cc(CNC(=O)c2cc(Cl)cc(F)c2Br)cn1 252498661 RHLQEUHJRRSQCB-UHFFFAOYSA-N 346.587 2.905 0 50 EFAA O=C(NCc1ccsc1Br)N[C@H]1C[C@H]2CC[C@H]1O2 252483843 FJTQMHJVXICNES-KXUCPTDWSA-N 331.235 2.630 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)c1nnc(O)c2ccccc12 363664867 KXAHMGURWFUAIZ-LBPRGKRZSA-N 335.363 2.759 0 50 EFAA O=C(Cc1noc2ccccc12)Nc1nc2ccc(Cl)cn2n1 157147784 ZDRPKTXHMRILLG-UHFFFAOYSA-N 327.731 2.705 0 50 EFAA CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)C2CC2)CC1 158227579 OYXYPEUSKIZRSE-LJQANCHMSA-N 342.483 2.972 0 50 EFAA O=C(Nc1ccccc1-c1nn[nH]n1)[C@H]1C[C@@]12CCc1ccccc12 913357501 MCZFADDMJADMRS-DNVCBOLYSA-N 331.379 2.709 0 50 EFAA Cc1ncc(CC(=O)NCCc2cccc(Br)c2C)o1 830552223 NAEBADJDCIHVQG-UHFFFAOYSA-N 337.217 2.955 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)C[C@@H]2CC(=O)Nc3ccccc32)cc1 934760315 CWFLYSWASNJQOM-QAPCUYQASA-N 338.407 2.661 0 50 EFAA Cn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nc2cnccc21 865584751 CHLKJIPQIWKSMW-HNNXBMFYSA-N 349.438 2.615 0 50 EFAA CS[C@H](C)CCNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1F 952875948 KCPLTDWMOKICTO-GPCCPHFNSA-N 332.416 2.828 0 50 EFAA Cc1ccccc1[C@H](c1noc([C@H](O)c2cnn(C)c2)n1)C(C)C 952876901 ZSYKNOIBVDIFRL-HZPDHXFCSA-N 326.400 2.981 0 50 EFAA CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc(C2CCOCC2)n[nH]1 952993078 VSBKFUQFWWXTRY-HIFRSBDPSA-N 334.464 2.716 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(O)CCc3ccccc32)[nH]1 1875255413 YARDICUYZOYOIA-HXUWFJFHSA-N 332.407 2.515 0 50 EFAA COc1cccc(Nc2ccccc2C(=O)NN2CCC(O)CC2)c1 1875275504 DTGDILJCMNHABA-UHFFFAOYSA-N 341.411 2.540 0 50 EFAA Cc1ccnc(N2CCC[C@H](CCNC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)C2)n1 1875345618 DHDYFZMPZFYOPY-BRSBDYLESA-N 342.487 2.944 0 50 EFAA Cc1cc2c(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)cccc2o1 1875402350 DCXUFYTYRWXVTJ-KBRIMQKVSA-N 339.395 2.507 0 50 EFAA Cc1nc(C)c(F)c(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)n1 888078959 NEZIVAYEUPCROI-GOEBONIOSA-N 331.395 2.781 0 50 EFAA Cc1cccc(C)c1CN(C)C(=O)NCc1ccnc(N(C)C)n1 894022321 PWCGKAHLZRMLCH-UHFFFAOYSA-N 327.432 2.501 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)ncn1 1775985388 KAGVQGISMCJRMR-MRXNPFEDSA-N 349.394 2.853 0 50 EFAA CC(C)C[C@H](CC(=O)O)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 899824909 DREKCNNKKVEMEK-GDBMZVCRSA-N 337.391 2.863 0 50 EFAA Cc1cc(NCc2ccc(N=c3cc[nH]cc3)cc2)n2nc(C)nc2n1 1187182956 PQGDGNVZEGBECO-UHFFFAOYSA-N 345.410 2.914 0 50 EFAA CCc1[nH]nc(NC(=O)CCc2nc(-c3ccco3)no2)c1CC 2100477948 MYQJYYVHKJXNBU-UHFFFAOYSA-N 329.360 2.749 0 50 EFAA CCc1nc2ccccn2c1C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 2325784981 XNHDNTPVLONBAS-HNNXBMFYSA-N 349.438 2.643 0 50 EFAA Cc1ccc(-c2nc(CN3CCNC[C@@H]3c3cn[nH]c3)cs2)cc1 2325801088 VMXFZMHWZAJUKH-QGZVFWFLSA-N 339.468 2.988 0 50 EFAA CN(C)CCc1ccc(CN2Cc3cnnn3Cc3ccccc32)cc1 2325801538 MNOJRXKSLKXVNP-UHFFFAOYSA-N 347.466 2.951 0 50 EFAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccncc4)nn3C)cc2[nH]1 2325822535 ATJMISUXVAGQGX-UHFFFAOYSA-N 346.394 2.943 0 50 EFAA CC(=O)c1ccc(-c2ccc(C(=O)NC3CC(C(=O)O)C3)o2)cc1 864203361 SZIKWHYPYJAYBH-UHFFFAOYSA-N 327.336 2.742 0 50 EFAA O=c1c(NCc2cccc3c2OCO3)cccn1CC(F)(F)F 902232952 CERVKDMOOJLTQO-UHFFFAOYSA-N 326.274 2.751 0 50 EFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 192823 VDPOPTVFYKNQOF-UHFFFAOYSA-N 348.424 2.675 0 50 EFAA COc1cccc(OC)c1OC[C@H](O)CN1CCc2ccccc2C1 608964 VIUMZUDSHKYSCY-QGZVFWFLSA-N 343.423 2.502 0 50 EFAA COc1ccc(C=O)cc1OC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 2886531 PISQLNYSNWNRAI-IBGZPJMESA-N 340.331 2.585 0 50 EFAA CCn1ncc(C2=NO[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)c1C 4035409 WZMCSBFEYYHNKX-MRXNPFEDSA-N 346.818 2.674 0 50 EFAA CCOc1cccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)c1 4749922 PTDPENUQBVMKIE-UHFFFAOYSA-N 333.413 2.804 0 50 EFAA COc1ccc(-c2noc(CN(C)C(=O)c3ccoc3C)n2)cc1 4943552 DQGQWSLZCFZTOV-UHFFFAOYSA-N 327.340 2.919 0 50 EFAA C[C@](O)(CNC(=O)NC[C@H]1C[C@]12CCc1ccccc12)c1ccco1 225298785 QEFVMZKHVBTALR-UIAACRFSSA-N 340.423 2.690 0 50 EFAA COc1ccc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)c(Cl)c1 414531443 TUFCQCWOFJKUHQ-SUMWQHHRSA-N 335.835 2.950 0 50 EFAA O=C(Nc1ccccn1)N1CCN(c2cncc3ccccc23)CC1 225792429 IGRGKKURDUXMDG-UHFFFAOYSA-N 333.395 2.984 0 50 EFAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 246486063 VZPQVDHMSADGPV-NRSFXHEJSA-N 342.487 2.589 0 50 EFAA CC[C@@H](CO)N(Cc1ccccc1C)C(=O)c1ccc(CO)cc1 55253975 MPZUDZJUHJNPFX-IBGZPJMESA-N 327.424 2.901 0 50 EFAA CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)nc2)CC1 116220948 YUSOZSVPDQOXRL-HNNXBMFYSA-N 327.432 2.951 0 50 EFAA CN1CC[C@H](Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1=O 116388479 DASSFKDFWCNXEW-INIZCTEOSA-N 340.379 2.637 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)CN1[C@H]1CCN(CC(F)(F)F)C1=O 247414265 CUTSMZQXFWLURO-VHDGCEQUSA-N 342.361 2.612 0 50 EFAA CCOC(=O)C[C@H](NC(=O)CC(=O)Nc1cc(C)ccc1C)C(C)C 55089048 NDWZSSHUVDWDCE-HNNXBMFYSA-N 348.443 2.726 0 50 EFAA CCOc1ccccc1N1CCN(Cc2n[nH]c(=S)n2CC)CC1 23634691 VHCWXCYUKRKBDK-UHFFFAOYSA-N 347.488 2.681 0 50 EFAA O=C(Cc1ccc2c(c1)OCC2)NC[C@H]1CCCN2CCCC[C@@H]12 170613662 YTQCPXRATSNDFS-MSOLQXFVSA-N 328.456 2.545 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)c(C)o1 65495746 PFJWEFMYSFGWKJ-UHFFFAOYSA-N 347.503 2.988 0 50 EFAA COc1ccc2oc(CNC(=O)c3cc(CC(C)C)nn3C)nc2c1 65492354 ZDEMDGHSQJRWSN-UHFFFAOYSA-N 342.399 2.698 0 50 EFAA CC[C@@H](C(=O)Nc1cccnc1)N(c1cccc(C)c1)S(C)(=O)=O 67338740 DGFMLOUXPNDBIG-INIZCTEOSA-N 347.440 2.573 0 50 EFAA CC1(C)C[S@@](=O)CCN1Cc1csc(Nc2ccccc2)n1 348211358 PBVUTAOWFJQTHI-JOCHJYFZSA-N 335.498 3.230 0 50 EFAA CC(C)CN1CCC(N[C@H](C)c2nc(-c3ccccn3)no2)CC1 67690734 TZUCCLHYKCSKNN-CQSZACIVSA-N 329.448 2.903 0 50 EFAA C[C@H]1CCN(Cc2cnn([C@H]3CCS(=O)(=O)C3)c2)c2ccccc21 252487368 VXGUJSJDBPWARX-HOCLYGCPSA-N 345.468 2.757 0 50 EFAA CN(C)c1ncn(-c2cccc(NCc3nc4ccccc4n3C)c2)n1 252480257 BZBPURGPHXACIY-UHFFFAOYSA-N 347.426 2.832 0 50 EFAA O=C(Cc1ccc(O)cc1Cl)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 252477060 HJXFJHBVMJSILE-LXZKKBNFSA-N 334.847 2.531 0 50 EFAA CNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1 253425600 DFLAMQSAVSXYCJ-MRXNPFEDSA-N 341.415 2.539 0 50 EFAA COCCCN1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 72135271 YEFGPAXHHWFSIJ-MISYRCLQSA-N 330.472 2.594 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H](Cn1cccn1)c1ccccc1 219857402 LOFPHMHTIBWUJO-KRWDZBQOSA-N 349.390 2.712 0 50 EFAA Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@H]3O)cc2c1 253623529 YLBIQGYMGWNKDN-ARFHVFGLSA-N 329.396 2.743 0 50 EFAA O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 151788230 FYEGTZIVWJIYJC-SFHVURJKSA-N 341.455 2.941 0 50 EFAA CCOc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1OC 154615521 YYZGTXIMRNQEBX-OAHLLOKOSA-N 343.427 2.977 0 50 EFAA CC(C)(CC(=O)O)CC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 236809425 LMOSDFYGDYLBHJ-GFCCVEGCSA-N 340.370 2.551 0 50 EFAA Cc1cc2occ(CC(=O)N(C)CCNC(=O)C(C)C)c2cc1C 127978699 KCNPAYKZXFVNMW-UHFFFAOYSA-N 330.428 2.823 0 50 EFAA CO[C@@](C)(C(=O)N1CCC12CCC(CO)CC2)c1ccccc1F 365291253 LYXXAHSWJRDVGO-PJOPYLDSSA-N 335.419 2.841 0 50 EFAA C[C@H](NC(=O)N1CCCN(CC2CCCCC2)CC1)c1ccn(C)n1 333567148 HYAPOXQNBBFQCS-INIZCTEOSA-N 347.507 2.779 0 50 EFAA O=C(Nc1ccc2c(c1)CCCC2)N1CCC(n2cnnc2O)CC1 333627979 HDOMOMQMRBHBLW-UHFFFAOYSA-N 341.415 2.732 0 50 EFAA Cc1noc(C)c1C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237469537 SWPYCDKHSADEFY-DIFFPNOSSA-N 342.395 2.508 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 237528478 WGWNMLDVCGSVAT-CQSZACIVSA-N 333.718 2.878 0 50 EFAA Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)C2 237899812 BDYKSGARUDIBHG-QGZVFWFLSA-N 325.364 2.622 0 50 EFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cn(C)nc2C)C1 77438009 HLKMTIZSLHKXRZ-MRXNPFEDSA-N 327.428 2.968 0 50 EFAA CCCc1oncc1C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 72134416 XDHGDOLMSOTKKP-CQSZACIVSA-N 333.432 2.538 0 50 EFAA CC[C@@H]1[C@H](CO)CCN1CC(=O)Nc1ccccc1C(F)(F)F 451259596 SXLAUQGGOAMLDN-SMDDNHRTSA-N 330.350 2.737 0 50 EFAA CC(C)n1ccc(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)n1 262128585 MERPAZIAXNZHBW-CYBMUJFWSA-N 339.754 2.812 0 50 EFAA CCCc1cc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)no1 72151275 PYBWZTORRUWDTF-UHFFFAOYSA-N 339.395 2.753 0 50 EFAA Cc1noc(C)c1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 218955346 ATKVONUAMZGEEX-UHFFFAOYSA-N 339.439 2.607 0 50 EFAA Cc1nc(C)c(CNC(=O)N2CCC(c3c[nH]nc3C)CC2)s1 375203936 FGWAKQDVQUNIOB-UHFFFAOYSA-N 333.461 2.881 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)CCc1cccs1 239654029 BMIJVKAUDFYCOH-LBPRGKRZSA-N 335.454 2.767 0 50 EFAA CCC(=O)Nc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1 241139498 JRLWYGSMMOJZFO-UHFFFAOYSA-N 346.408 2.691 0 50 EFAA COc1cc(CCNC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)ccn1 1364351905 MKYBXPGXJFRCHL-SJORKVTESA-N 347.459 2.623 0 50 EFAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1nccnc1N 286707511 CJJLUDKBNKEJTR-GXTWGEPZSA-N 326.400 2.681 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)Cc2nc3cc(Cl)ccc3[nH]2)C1 82125386 SMSXGROPHPZWRX-ZDUSSCGKSA-N 334.851 2.702 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2OC)C1 176381630 RURWHMHDFJLFRP-NPGVVQFXSA-N 338.473 2.574 0 50 EFAA CC(=O)c1cc(CC(=O)N2CCN(c3ncccc3C)CC2)cs1 82106749 NKCCETZPWAPUMH-UHFFFAOYSA-N 343.452 2.545 0 50 EFAA O=C(N1CCN(c2cccnc2)CC1)C1(c2ccccc2F)CC1 222592632 ACDYLQIFUVVASK-UHFFFAOYSA-N 325.387 2.601 0 50 EFAA COc1ccc(N2CCN(C(=O)c3ccsc3)[C@H](C)C2=O)cc1 82138368 YLDWOVFYXUHENA-GFCCVEGCSA-N 330.409 2.634 0 50 EFAA O=C(CCC(=O)N1CCc2[nH]nc(C3CC3)c2C1)c1ccc(F)cc1 223897988 QJJBGXCCAGQOJH-UHFFFAOYSA-N 341.386 2.974 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCC[C@@H]2O 95370526 BVALDJQIFVNMSF-HNNXBMFYSA-N 341.810 2.554 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 97213245 NLQUEGUDYHHHDU-GOSISDBHSA-N 336.395 2.727 0 50 EFAA COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1OC 179355179 HAMHJLBMUFIOOO-AWEZNQCLSA-N 344.415 2.508 0 50 EFAA Cc1cc(C)c2c(NC3CCN(C[C@@H]4CCCO4)CC3)ncnc2n1 95368172 ZRIUIBVKJLCZCX-INIZCTEOSA-N 341.459 2.697 0 50 EFAA CCCNc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cn1 91644735 FEJUBWPVUQBZHR-DLBZAZTESA-N 340.427 2.599 0 50 EFAA CN(CCc1nc2ccccc2[nH]1)C(=O)[C@H]1COc2ccccc2C1 91656187 PETIYDLCMDXDLW-OAHLLOKOSA-N 335.407 2.815 0 50 EFAA CN1CCc2ccc(NC(=O)N3CCO[C@H](c4ccco4)C3)cc21 180261992 SLLPMSPIYIEBDJ-KRWDZBQOSA-N 327.384 2.877 0 50 EFAA C[C@H](Cc1ccsc1)NC(=O)c1cc2ccccc2n(C)c1=O 97495557 GNSWTAKUUJCSDM-GFCCVEGCSA-N 326.421 2.961 0 50 EFAA CCn1ccnc1C1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 91848826 VFBKEVPTGSGRMG-MRXNPFEDSA-N 347.846 2.996 0 50 EFAA CCCc1nc(C(=O)N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cs1 91643919 YEJJAWVGCWAWHU-LBPRGKRZSA-N 346.456 2.507 0 50 EFAA Cc1ccc(C(=O)N2CCC(c3nc([C@H]4CCOC4)no3)CC2)cc1 96163381 BGJWBLLUPUIFOB-INIZCTEOSA-N 341.411 2.902 0 50 EFAA COc1ccccc1CNC(=O)CCN1CCC[C@H]1c1cc(C)on1 252502430 UQGOKURVUYJYBB-KRWDZBQOSA-N 343.427 2.835 0 50 EFAA Cc1cccc(C[C@H](CNC(=O)CC[C@@H]2CC[C@H](C)O2)C(=O)O)c1 299753320 XUDLIMLIANKAOK-UAGQMJEPSA-N 333.428 2.702 0 50 EFAA C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](CN)C1 299739173 LMPWBORQTBWHHC-SJLPKXTDSA-N 338.451 2.852 0 50 EFAA Cc1cn2nc(N3CC[C@H](n4cnc5c4CCCC5)C3)sc2n1 299751224 PZHUTPVYLNAVDE-LBPRGKRZSA-N 328.445 2.626 0 50 EFAA Cc1nccn1C[C@@H](C)CNC(=O)c1ccccc1N=S(C)(C)=O 1361665643 CZBBHTMUVMVGCA-ZDUSSCGKSA-N 348.472 2.617 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2conc2-c2ccccc2)c1 952986783 FPIVYJBURLYRMM-UHFFFAOYSA-N 346.350 2.878 0 50 EFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2nn(C)cc2Cl)c1 952962654 HMDADIGISGHKCJ-SNVBAGLBSA-N 332.791 2.841 0 50 EFAA CO[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@H]1C 170603477 QLKOMZYQYMRPKH-ZBFHGGJFSA-N 343.427 2.943 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3oc(Br)cc3C)C2)n1 408054799 UOQRSNSVHYKECY-SECBINFHSA-N 340.177 2.672 0 50 EFAA CCC[C@@]1(COC)CCCN1C(=O)c1ccc(CNC(C)=O)s1 170615512 AOCWUWYHRUNZEC-KRWDZBQOSA-N 338.473 2.806 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2ccccn2)C1(C)C 408520611 NYPRVLFXRQRUKW-HNNXBMFYSA-N 347.459 2.918 0 50 EFAA CN1CC[C@@H]2[C@@H](CCCN2c2ncnc3c2cnn3-c2ccccc2)C1 221923747 LFBLCCHVRYTXIG-MAUKXSAKSA-N 348.454 2.736 0 50 EFAA COc1ccccc1C[S@](=O)Cc1nc(O)cc(C(F)(F)F)n1 270102203 CRMMCPXOUBLELE-QHCPKHFHSA-N 346.330 2.659 0 50 EFAA CCc1nc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n[nH]1 280216977 AKKGIBRNACUWAI-GWCFXTLKSA-N 340.349 2.694 0 50 EFAA CC1(C)CCN(C(=O)C[C@H]2CCc3ccccc32)CCS1(=O)=O 683643253 HLMPPHDRGQWFRI-OAHLLOKOSA-N 335.469 2.532 0 50 EFAA Cc1ccc(-n2cc(NC(=O)N3CCC(C)(O)CC3)cn2)c(C)c1 189671152 FRMFLDWYMABCDU-UHFFFAOYSA-N 328.416 2.868 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)NC[C@@H]1CCO[C@H]1c1ccccc1 190207893 BOUDRSIZGRLKDV-YWZLYKJASA-N 339.439 2.725 0 50 EFAA COc1ccc2c(c1NC(=O)NCCc1c(C)nn(C)c1C)CCC2 191295352 GLVCPRWUMHYNHS-UHFFFAOYSA-N 342.443 2.898 0 50 EFAA Cc1nc(C[C@@H]2CCCN([C@@H]3CCc4ccccc4NC3=O)C2)no1 191991408 JIDZICIIEPNZTO-WMLDXEAASA-N 340.427 2.586 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2CCCC(=O)O)cc1 656525330 VKKGPVYJKQJLKM-MRXNPFEDSA-N 339.457 2.934 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1C[C@H]3CC[C@H]1[C@@H](C(=O)O)C3)CCC2 659218903 FIZDCRWXWMYSJN-FXBSTXGRSA-N 343.423 2.827 0 50 EFAA COC[C@H](C)N1CCCN(C(=O)Cc2ccc3ccccc3c2)CC1 989634198 VWUDXWKLFFPSKA-KRWDZBQOSA-N 340.467 2.952 0 50 EFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1 1704342149 IVBMWSHHISKQBK-MRXNPFEDSA-N 325.355 2.501 0 50 EFAA CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CCCC3=O)c3cc(F)cc1c32 1740816466 HJONAAYVZVBSEP-DJJJIMSYSA-N 329.371 2.925 0 50 EFAA Oc1cc(C2CCN(C[C@H]3COc4ccccc4O3)CC2)ccn1 1772817420 OPPSQVSFQAWYRX-INIZCTEOSA-N 326.396 2.807 0 50 EFAA CCCc1cc(N2CCCN(C(=O)C3CCCC3)CC2)nc(C)n1 1772806584 BMBNPGQMEJFWRP-UHFFFAOYSA-N 330.476 2.966 0 50 EFAA O=C(NCCc1nccs1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 11879874 PKBHKXZVSLFSEC-CQSZACIVSA-N 349.500 2.763 0 50 EFAA CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C(N)=O)cc1 16552349 SXSQRMSVKSXCQM-CQSZACIVSA-N 328.368 2.590 0 50 EFAA CCCC(=O)N[C@H](N1C[C@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 19315851 IJELYAPRVVJGHR-WCABBAIRSA-N 331.671 2.708 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 19681794 NZFZWYWUXYAQDR-UHFFFAOYSA-N 331.338 2.549 0 50 EFAA CC(C)c1nnc([C@]23CC[C@H]2CCN3C(=O)c2cnn(CCF)c2)o1 1857528882 PRQIPKSEQNRODO-GUYCJALGSA-N 347.394 2.510 0 50 EFAA Cc1ccccc1OCCNC(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1857529772 MRAAVZZIHFGTIR-KGLIPLIRSA-N 343.427 2.560 0 50 EFAA Cc1nc2cc(Cn3ccnc3-c3cnn4cccnc34)ccc2n1C 1857692747 SABOHBRJWOCBKW-UHFFFAOYSA-N 343.394 2.836 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225537184 ILCFCARPKXRUHJ-SJLPKXTDSA-N 329.371 2.929 0 50 EFAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2)CC[C@H]1N 1875248065 YBHCYVDIUKZJMH-USXIJHARSA-N 338.879 2.921 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225683942 LRMLIQSRQAATHH-FUHWJXTLSA-N 329.371 2.929 0 50 EFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc(C3CC3)s2)cn1 328634005 MIPHFKMBMNFNAD-HIFRSBDPSA-N 331.445 2.704 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 126898693 ZFMWDYLAABRXQJ-DLBZAZTESA-N 338.407 2.676 0 50 EFAA O=C(CCn1cccn1)N[C@H]1CCCN(c2ccccc2Cl)C1 128396454 QMAZMQUUGSXXNB-AWEZNQCLSA-N 332.835 2.712 0 50 EFAA COc1cc(F)cc(CNS(=O)(=O)c2cnc3ccccc3c2)c1 241739139 RAIRXLQYVBZERI-UHFFFAOYSA-N 346.383 2.861 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 136129772 FIQFHCPMGACAIN-GFCCVEGCSA-N 329.318 2.961 0 50 EFAA Cc1nc(CNC(=O)C[C@H]2CCc3ccccc32)sc1C(=O)O 679398385 DEXNQZXOSOEKJS-GFCCVEGCSA-N 330.409 2.886 0 50 EFAA CC(C)(CNC(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1)c1cccnc1 905115229 DCQZERWIUUVAJX-OXJNMPFZSA-N 338.407 2.518 0 50 EFAA C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc21 916151196 BSIBZNFXWLWXKP-ZIAGYGMSSA-N 337.423 2.732 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CCn2ccnc2C1 830543425 SGXWSTNXJWFQOT-MRXNPFEDSA-N 349.434 2.966 0 50 EFAA Oc1n[nH]c([C@@H]2CCCN(C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)n1 930499070 UJPAKSCOANQPFA-RDBSUJKOSA-N 334.370 2.739 0 50 EFAA COc1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)ncn1 930475834 LUPQRBLTJPHKFO-UHFFFAOYSA-N 347.444 2.570 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)[C@@H]1CC1(Cl)Cl 862812217 JUMVPACLNJBFEN-WDEREUQCSA-N 328.174 2.948 0 50 EFAA 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EFAA Cc1c(Cl)cccc1C(=O)Nc1ccc(-n2cc(CO)nn2)cc1 194854844 XQHYGGNBUQOXNT-UHFFFAOYSA-N 342.786 2.974 0 50 EFAA CC(C)N(C)c1ccc(CN2CCn3c(nnc3C(C)(C)C)C2)cn1 668769657 FYTXKILPJVGGIS-UHFFFAOYSA-N 342.491 2.831 0 50 EFAA Cc1cc(C)c2c(=NC(=O)[C@@H]3COc4ccccc4O3)[nH]sc2n1 1850062761 KHOOGPFNGKWARP-ZDUSSCGKSA-N 341.392 2.509 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(Cl)ccc3C)C[C@H]2O)on1 1529103470 CIMKGCIJKXFXEF-MLGOLLRUSA-N 334.803 2.620 0 50 EFAA COc1cccc(OC)c1CN1CCC(c2ccn(C)c(=O)c2)CC1 1775980867 DNQWBAWISGEVIK-UHFFFAOYSA-N 342.439 2.782 0 50 EFAA COCCc1nc2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)cc2o1 11661854 WCKXZGXFDPGPEQ-ZDUSSCGKSA-N 332.400 2.704 0 50 EFAA CC(C)C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11838729 GNWDAMQJXIFKKB-LJQANCHMSA-N 332.419 2.823 0 50 EFAA CC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 12138809 OTCQQFKWLIMVRV-UHFFFAOYSA-N 331.372 2.911 0 50 EFAA O=C1CN(S(=O)(=O)c2cccc3ccccc23)c2ccccc2N1 14113758 USEKOBPHBCHCCD-UHFFFAOYSA-N 338.388 2.987 0 50 EFAA O=C(Cc1noc(COc2ccc(F)cc2)n1)Nc1ccccc1 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RUHAGMMAKSFMFD-AWEZNQCLSA-N 338.367 2.971 0 50 EFAA COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 103449 QBKFJJSNKWKRRJ-UHFFFAOYSA-N 326.377 2.651 0 50 EFAA Cc1nonc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 135790 SUOQRLZLLBMLCU-UHFFFAOYSA-N 347.371 2.913 0 50 EFAA CCOC(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC)c1C 1054756 IFDYRQFAIAXSAH-UHFFFAOYSA-N 348.380 2.667 0 50 EFAA COc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1 2028651 YIEALOVBGQGGKK-UHFFFAOYSA-N 326.757 2.929 0 50 EFAA CCC[C@@]1(CO)CN(Cc2coc(-c3ccccc3)n2)CC[C@H]1O 2356148534 DUBXOCWMDSOFTD-MJGOQNOKSA-N 330.428 2.687 0 50 EFAA COCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 2677554 OGEYMOQHWSYSBB-UHFFFAOYSA-N 348.424 2.848 0 50 EFAA Cc1cc(C)c(NC(=O)[C@H]2CCCO2)c(C)c1NC(=O)[C@H]1CCCO1 4512090 NMYOYKSPQACELR-HUUCEWRRSA-N 346.427 2.847 0 50 EFAA COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@H]3C)c2C)C[C@@H]1C 4839805 PZUFJJVCCIFCJD-QOBDMFJFSA-N 347.411 2.833 0 50 EFAA O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(-n2cnnc2)c1 6703784 GKUGTZRKTKMUEN-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA CO[C@@H](CNC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccccc1 171464678 ZHOTXSUMJIQGIL-SJORKVTESA-N 328.416 2.654 0 50 EFAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)COc3c(Cl)cccc32)C1 9189676 XDPOLFVSKSCMHP-VXGBXAGGSA-N 336.819 2.570 0 50 EFAA CSC[C@H](CCO)NC(=O)c1cc(C)cc(Br)c1 134959234 JWCWOSLQGVYTAG-LBPRGKRZSA-N 332.263 2.601 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cccnn2)C1 136398775 OANMECLMRWZDDK-RDJZCZTQSA-N 326.444 2.762 0 50 EFAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 67603980 NUDIMZZRDQBLAK-INIZCTEOSA-N 338.455 2.973 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C2=CCCN(C)C2)nn1C 67641000 LFDBLBKNXIJYDM-CQSZACIVSA-N 340.427 2.545 0 50 EFAA COc1ccc(OC)c(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c1 67784130 NPDGDBRVFBKPPL-UHFFFAOYSA-N 342.355 2.510 0 50 EFAA CN1CCC[C@@H](CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 67649481 SWGHOKSEAMNTDT-ZDUSSCGKSA-N 340.427 2.686 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)C2 230113622 DDTCFJYEBXWJSJ-AQXBJYLJSA-N 344.455 2.959 0 50 EFAA CC[C@@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CCO1 171819064 SEORMULFYXHBDG-QGZVFWFLSA-N 325.412 2.627 0 50 EFAA C[C@H]1CN(CCNC(=O)Cc2cccs2)Cc2ccccc2O1 11839868 NNDMMOCRTUMFPU-AWEZNQCLSA-N 330.453 2.690 0 50 EFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cnc(C)s1)C2 147125879 FXCZNNULDVRFOZ-ZDUSSCGKSA-N 332.425 2.670 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)Nc3ccn(C(C)C)n3)C2)no1 253433411 WNNDOUWANRGTQU-ZDUSSCGKSA-N 332.408 2.642 0 50 EFAA CCCCN1CCCC[C@H]1CNC(=O)NCc1cc(C)nc(C)n1 253416552 LDFJBQJZPQBRQL-KRWDZBQOSA-N 333.480 2.547 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCO[C@H](c3ccco3)C2)c1 123953095 GKXPZIFCDAZXRD-KRWDZBQOSA-N 343.383 2.868 0 50 EFAA C[C@H](c1nnc(-c2ccccc2)o1)N1CCCC[C@H]1Cn1cncn1 257365627 AWONVWHBFSYKSV-ZBFHGGJFSA-N 338.415 2.944 0 50 EFAA Cc1cccc(-c2nnc(S)n2CC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 153693061 QEWMAIGEZRRBCP-GJZGRUSLSA-N 342.468 2.801 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H](SC)C2)cc1 154253209 XPUBLRPTYBRLLN-MRXNPFEDSA-N 332.469 2.847 0 50 EFAA CCc1nc(N[C@@H](Cn2ccnc2)c2ccccc2)c2cnn(C)c2n1 72173807 AANKJGJIMCETJU-INIZCTEOSA-N 347.426 2.976 0 50 EFAA O=C1C[C@H](Nc2ncnc3[nH]ccc23)CN1[C@@H]1C[C@@H]1c1ccccc1 363554824 BORUZYFEQSVJRU-NUEKZKHPSA-N 333.395 2.527 0 50 EFAA CCn1ncc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc21 158564685 UCOINPQNDLZRKE-IMJJTQAJSA-N 328.416 2.991 0 50 EFAA C[C@](O)(CNC(=O)Cc1cc(F)c(F)cc1F)c1cccs1 127253909 WBJMPHNZZZRSSR-HNNXBMFYSA-N 329.343 2.732 0 50 EFAA Cc1cc(F)ccc1C1CCN(C(=O)NC[C@@]2(C)CCC(=O)N2)CC1 333610429 DUWPUXIKQLZLEZ-LJQANCHMSA-N 347.434 2.692 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cccc(C(C)C)n1 371346248 VZELTJORSYFTQV-MRXNPFEDSA-N 328.416 2.759 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1 237626050 WIBXZSIQADQUNC-WMLDXEAASA-N 325.412 2.612 0 50 EFAA O=C(c1csc(-c2cccnc2)n1)N1CCO[C@H](C(F)(F)F)C1 71416347 KECVFPZEJJUXCB-NSHDSACASA-N 343.330 2.608 0 50 EFAA COCc1cccc(CC(=O)N2CC[C@@H](C3CCN(C)CC3)C2)c1 242292570 YNIQBESKVKEZRZ-LJQANCHMSA-N 330.472 2.566 0 50 EFAA CCc1cccc2c(CC(=O)N3C[C@H](COC)OC(C)(C)C3)c[nH]c12 285639143 XAADSERGONHHBX-MRXNPFEDSA-N 344.455 2.925 0 50 EFAA Cc1nnc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)s1 175038061 SLJXNGVRPIXEJF-AWEZNQCLSA-N 334.420 2.979 0 50 EFAA CCc1nnc(CNC(=O)c2csc(Cc3ccccc3)n2)o1 82109285 GGXFTNLGRZUHNS-UHFFFAOYSA-N 328.397 2.609 0 50 EFAA Cc1nc(C)c(C(=O)O)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1 224150992 LFJVNDKJOANBAS-UHFFFAOYSA-N 335.404 2.906 0 50 EFAA Cc1cncnc1C1CCN(C(=O)CCC2CCN(C)CC2)CC1 426641555 OMLASMFHMSIYOR-UHFFFAOYSA-N 330.476 2.613 0 50 EFAA O=C(C[C@H](O)c1cccc(F)c1)N1CC[C@H](n2cc(Cl)cn2)C1 292133781 GZVQRXSIEPOOOK-GJZGRUSLSA-N 337.782 2.573 0 50 EFAA O=C(CCn1cnccc1=O)N[C@H]1CCCc2sc(Cl)cc21 292147964 RQWCKLATEDQVGI-NSHDSACASA-N 337.832 2.542 0 50 EFAA C[C@H](CCc1ncnn1-c1ccc2ccccc2c1)N1CCN(C)CC1 95374471 ZNDJUYFAXKVZRL-QGZVFWFLSA-N 349.482 2.989 0 50 EFAA C[C@H](CO)CSc1nnc(C2CCNCC2)n1Cc1ccccc1 426395464 XTWIJOGNYLRINV-CQSZACIVSA-N 346.500 2.514 0 50 EFAA COC[C@H](O)CN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 179617222 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343.515 2.666 0 50 EFAA CC(C)Cn1cncc1CNC(=O)c1cccc(Cn2cccn2)c1 91621154 SCJJPZXKYGWEAX-UHFFFAOYSA-N 337.427 2.714 0 50 EFAA Cc1cn2c(=O)cc(CN(C)Cc3cc(C4CC4)on3)nc2s1 243885790 ACGWTXOMBQIBAR-UHFFFAOYSA-N 330.413 2.562 0 50 EFAA O=C(CN1CCC[C@@H](C(=O)c2cccs2)C1)NCc1ccccc1 244899454 ZKDWAVMBFRJAMK-MRXNPFEDSA-N 342.464 2.959 0 50 EFAA O=C(c1ccc(-c2cnc3ccc(F)cn23)cc1)N1CCC[C@H]1CO 584902888 JPTZSGOMRUBILB-INIZCTEOSA-N 339.370 2.737 0 50 EFAA O=c1c2c(C(F)(F)F)cccc2ncn1[C@@H]1CCc2c[nH]nc2C1 584899427 WJHQSOKKFMJDGC-SNVBAGLBSA-N 334.301 2.868 0 50 EFAA Cc1cc(C(F)F)n2ncc(C(=O)NCCc3ncccc3C)c2n1 1337593153 LFILPKRUJOBPBV-UHFFFAOYSA-N 345.353 2.651 0 50 EFAA CCc1ccc(S(=O)(=O)N(C)[C@H](COC)c2ccccn2)s1 952979510 HEYWZCGSTIMUGF-CQSZACIVSA-N 340.470 2.714 0 50 EFAA CC(=O)N1CCC(NC(=O)COc2cc(C(C)C)ccc2C)CC1 170086113 FOLHCIWLUWSTOV-UHFFFAOYSA-N 332.444 2.624 0 50 EFAA CO[C@@]1(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCOC1 170089747 JMVRJGATRCLPLK-IBGZPJMESA-N 337.379 2.770 0 50 EFAA Cn1cc(N2CC[C@H](N[C@H]3CCC[C@@H]3Cc3ccccc3)C2=O)cn1 170607274 BAGVVZVDPVBCFU-NEWSRXKRSA-N 338.455 2.526 0 50 EFAA Cn1cc(-c2ccnc(/C=C/c3ccc4c(c3)sc(=O)n4C)n2)cn1 170615524 HCBHPMQBNRKVPP-GQCTYLIASA-N 349.419 2.961 0 50 EFAA C[C@@H](C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1)c1cccs1 275680105 QBADKJNNLZYLEE-KGLIPLIRSA-N 345.468 2.993 0 50 EFAA Cc1cccc(CNC(=O)N2CCC(C)(O)CC2)c1Br 190481802 UEVQBPFJONONAX-UHFFFAOYSA-N 341.249 2.814 0 50 EFAA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(Oc3ccccc3)o2)C1 643757901 YVNJVDGXYORFJB-LJQANCHMSA-N 344.411 2.535 0 50 EFAA O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccco1 192024485 DILZWZQQUDITCT-WBVHZDCISA-N 334.803 2.669 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)[C@H](C)c1cccnc1)CCO2 192362944 LUCXAQGRIYMVQM-CYBMUJFWSA-N 340.379 2.787 0 50 EFAA CC(C)c1nnc2n1C[C@@H](N[C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 194145052 WMYGVPXICAFVFD-XOSAIJSUSA-N 330.476 2.654 0 50 EFAA CC1=C(C(=O)N2CCN(c3cncc4ccccc34)CC2)CCCO1 194292426 BWQDYMXUUHIZLE-UHFFFAOYSA-N 337.423 2.968 0 50 EFAA CN([C@H](C(=O)O)c1ccsc1)[C@@H]1CCN(c2ccccc2F)C1=O 652413900 XOKADHJYJULQSZ-CABCVRRESA-N 348.399 2.750 0 50 EFAA CN(C)c1cccc(CNC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)n1 195545615 WYGOMUVKEWYTML-YQVWRLOYSA-N 336.439 2.533 0 50 EFAA Cc1noc(CN(C)[C@@H](C(=O)O)c2cccc(Cl)c2Cl)n1 656191972 HOEFAFFBGLIQRA-GFCCVEGCSA-N 330.171 2.943 0 50 EFAA O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1occ2c1CCC2 671647895 WPCURIDISIYEBW-HNNXBMFYSA-N 346.452 2.633 0 50 EFAA CCOc1ccc(-c2nnn(Cc3ccc(OCC)cn3)n2)cc1 674388708 LNVRHMFWMGVIQC-UHFFFAOYSA-N 325.372 2.581 0 50 EFAA CCn1ncnc1[C@H](C)NC1CCN(c2ccc(F)c(F)c2)CC1 1506423721 ZFDDTAGLEFGSMC-LBPRGKRZSA-N 335.402 2.896 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(F)c(C)c1)C2 212505946 NFHFYGPJJGGHLW-CVEARBPZSA-N 332.419 2.536 0 50 EFAA COc1cc(C(=O)N2CCC3(CC2)OCCc2sccc23)ccn1 1704299634 PSWLNMWZIREKQL-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA Cc1ncc(CN(CCO)CC2=Cc3cc(Cl)ccc3OC2)[nH]1 1704310273 QSDWKEFUNNSWJU-UHFFFAOYSA-N 333.819 2.642 0 50 EFAA c1cnc(N2CCC(n3ccnc3-c3ccc4c(c3)OCO4)CC2)cn1 1772810908 QKRTTWAAVFHEOM-UHFFFAOYSA-N 349.394 2.910 0 50 EFAA CC[C@H]1CN(CCNC(=O)CC(C)C)Cc2cc(OC)ccc2O1 11782460 DYHVHTVUDMBMKJ-INIZCTEOSA-N 334.460 2.831 0 50 EFAA Cc1ncoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 12745540 CRFHMYRXTPZNBX-UHFFFAOYSA-N 336.395 2.944 0 50 EFAA CC(=O)c1ccn(CC(=O)Nc2ccnn2CC2CCCCC2)n1 19228516 QJHVUADXHVZQRP-UHFFFAOYSA-N 329.404 2.501 0 50 EFAA Cc1nc(C)c(CN2CCC(n3cc(C4CC4)nn3)CC2)nc1C 19792739 UTHKTFNNUAHJNG-UHFFFAOYSA-N 326.448 2.708 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(C)c1 340688569 VWCKZOLVAYGDJE-GOSISDBHSA-N 336.435 2.927 0 50 EFAA Cn1c(C(=O)NCc2ccc(F)c(F)c2)cc2ccccc2c1=O 349183604 NPDIKNZYIWPVHZ-UHFFFAOYSA-N 328.318 2.747 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H](Cn2ccnn2)C1 676943014 AVUBYQGMLWLOLO-GFCCVEGCSA-N 343.818 2.965 0 50 EFAA CC(C)c1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)ncn1 678151455 ZKUANHSZSURANR-UHFFFAOYSA-N 336.443 2.799 0 50 EFAA CC(C)Cn1[nH]c(CC(=O)N2Cc3ccccc3[C@@H](C)C2)cc1=O 929374284 LJXLZUAXFHCKFS-AWEZNQCLSA-N 327.428 2.521 0 50 EFAA CCOc1ncc(C)cc1NC(=O)N1CC[C@@H](c2noc(C)n2)C1 931583672 PHRANDMZOGOYOM-GFCCVEGCSA-N 331.376 2.502 0 50 EFAA Cc1c[nH]cc1C(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848626 KHDUYJCUCMCGHO-CABCVRRESA-N 327.432 2.830 0 50 EFAA CCN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)[C@H](C)C1 952995621 RTIQPIMPQVNNBU-OAHLLOKOSA-N 346.475 2.630 0 50 EFAA CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875289005 PBOVGIBPYUOKQU-KBXIAJHMSA-N 330.494 2.610 0 50 EFAA Cc1nsc(Br)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 1875293374 NTTGFQNZDBJNKL-QNSHHTMESA-N 345.262 2.757 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC=C(c4ccncc4)C3)n[nH]c21 1875395076 JPILNAYGNYEXJU-OLZOCXBDSA-N 338.411 2.756 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccccc2OC2CC2)cnn1C 886047296 FGBUHQJLSLJWCF-FUHWJXTLSA-N 341.411 2.530 0 50 EFAA CN1C(=O)C[C@@H](CNc2ncc(Cl)cc2F)[C@@H]1c1cccnc1 886036550 PFSPIZYOOBFLPS-NHYWBVRUSA-N 334.782 2.901 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCNC(=O)[C@@H]1c1cccs1 892101745 NQTWRCGQJQZGJE-INIZCTEOSA-N 332.473 2.815 0 50 EFAA Cc1nc(CNc2ccc(N3CCC(CO)CC3)cn2)sc1C 893140764 BNYMFNBKSOJKCK-UHFFFAOYSA-N 332.473 2.976 0 50 EFAA C/C=C(\C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1coc(CC2CC2)n1 1775996908 MMBHPLXOOPFOBO-BFHNITGGSA-N 333.432 2.606 0 50 EFAA COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2NC1=O 1775998597 ZUISGHXKWIYLPB-CJNGLKHVSA-N 338.407 2.992 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1C[C@]1(C(=O)O)C(C)C 899780881 JYWKSLVNKJIWCQ-MIUNTBIASA-N 335.448 2.871 0 50 EFAA Nc1ccc2c(c1)N(C(=O)C[C@H](n1ccnc1)C(F)(F)F)CCC2 2325769217 YTLXBBLMFKHJIS-AWEZNQCLSA-N 338.333 2.938 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@H](NC(=O)[C@H]4[C@@H](C)[C@H]4C)C3)[nH]c12 2325842666 DWQXHLPZAGKTEG-YXPYIKCWSA-N 339.439 2.709 0 50 EFAA CC(C)(N)c1cc(C(=O)Nc2cnc(-c3ccccc3)s2)[nH]n1 2325858420 MFKGCOGOKJZWLY-UHFFFAOYSA-N 327.413 2.979 0 50 EFAA COc1c(C)[nH]cc(CN(C)c2nc(C3CCCC3)ns2)c1=O 894807752 WWDQOXIZGLYVFT-UHFFFAOYSA-N 334.445 2.837 0 50 EFAA C[C@H]1Cc2cc(CNC(=O)Nc3cc(CN(C)C)ccn3)ccc2O1 932167831 OXTVWPQQANLPQH-ZDUSSCGKSA-N 340.427 2.788 0 50 EFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 84005 WDZPHHFEMQTEIL-CQSZACIVSA-N 342.370 2.504 0 50 EFAA COC[C@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)on1 423625 WXRGWERPTDFCRY-VIFPVBQESA-N 339.189 2.869 0 50 EFAA COc1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1 1016534 ACNCTYMZXJIROI-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA COc1cc(CN(C)C(=O)C(=O)c2c[nH]c3ccccc23)ccc1O 1695618 MEFXWEOVYWCFJG-UHFFFAOYSA-N 338.363 2.723 0 50 EFAA Cc1ccc(-c2cc(CN3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)on2)cc1 2356145971 ZCKWDDIAKPGZDV-UMGGQSCQSA-N 340.423 2.622 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C(C)(C)C 6701282 NXAOYXIIJDWHAA-STQMWFEESA-N 341.473 2.791 0 50 EFAA O=C(NC1CC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 58980017 NPRBDEYOXGUCAQ-UHFFFAOYSA-N 335.451 2.901 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2C(C)C)sc2ncn(C)c(=O)c12 225395485 GQWBYGCRMCOLEV-LBPRGKRZSA-N 333.457 2.954 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225542183 LXJKNBOYOAKLRK-YOEHRIQHSA-N 346.402 2.816 0 50 EFAA C[C@H](O)CN1CCN(CCOc2cccc3ccccc23)C[C@H]1C 247109601 IYEHDWAQNACFFP-SJORKVTESA-N 328.456 2.606 0 50 EFAA Cc1ccc([C@H](NC(=O)NC[C@@H](CO)c2cccnc2)C2CC2)cc1 350132677 ZMXSGUYKEBPKNV-OALUTQOASA-N 339.439 2.916 0 50 EFAA CCn1ccnc1CNC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 55393599 JFSVXNQNGDVKEZ-ZDUSSCGKSA-N 348.406 2.721 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)c1 171658114 FJAPXYBFFIRPOS-UHFFFAOYSA-N 330.365 2.975 0 50 EFAA CCc1cc(CN2CC[C@@H](CNC(=O)c3cccc(O)c3C)C2)on1 67856224 VZCMMKHQUFJBPF-AWEZNQCLSA-N 343.427 2.503 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(-n2ccnc2)nc1 252478004 ZPAOGOWSVWVJKV-YLJYHZDGSA-N 347.466 2.877 0 50 EFAA C[C@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccnc(O)c1 355257385 UHYCGPFTPMTMFK-JTQLQIEISA-N 325.324 2.639 0 50 EFAA CCn1ncc(Br)c1C(=O)NCc1ccc(F)cc1 1430381 QCOHGPKVKYKZCL-UHFFFAOYSA-N 326.169 2.735 0 50 EFAA O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H]1c1ccc(Cl)cc1 229883851 VZICBJSYHIENRE-HUUCEWRRSA-N 329.849 2.986 0 50 EFAA Brc1cncc(CNc2nnc([C@@H]3CCCO3)o2)c1 184284647 GJEHJPZFIIWGSA-JTQLQIEISA-N 325.166 2.691 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 151912145 LFWADDZEJPIHPV-UONOGXRCSA-N 329.318 2.725 0 50 EFAA CCOc1ncc(C(=O)N2CCC(c3ccnn3C)CC2)cc1Cl 124181233 MBMABLYOCIUGSJ-UHFFFAOYSA-N 348.834 2.887 0 50 EFAA C[C@H]1CCOCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 362047817 SXVAWMAPUACYDX-KRWDZBQOSA-N 330.472 2.579 0 50 EFAA Cc1ccc(O)c(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623680 CBTSWSKEWCUYFX-LLVKDONJSA-N 340.349 2.663 0 50 EFAA CN(C)Cc1cccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1 363307445 SGTSJMVZVINVAQ-MRXNPFEDSA-N 341.459 2.578 0 50 EFAA CCc1ccccc1NC(=O)CN1CCCC[C@H]1CN1CCCC1=O 363525034 KHDAJWKULDYTQN-KRWDZBQOSA-N 343.471 2.664 0 50 EFAA COC(=O)[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1CC1 494470234 DSAWZHQRYHVKAZ-KFWWJZLASA-N 327.783 2.850 0 50 EFAA CCc1cnc(CN(C)S(=O)(=O)c2ccc3c(c2)COC3)s1 332097651 DKFOHYPNURZGGX-UHFFFAOYSA-N 338.454 2.556 0 50 EFAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cc4c(nc1O)CCCCC4)C[C@@H]3C2 377159114 VOZNPXZEGHDXGD-TZUPDSNESA-N 342.439 2.552 0 50 EFAA CC(C)c1cc(NCCc2nc(-c3cccnc3)n[nH]2)n2nccc2n1 72167170 WOYJEPUQDXEMPF-UHFFFAOYSA-N 348.414 2.687 0 50 EFAA c1ccc(-c2noc(CN[C@H](c3ccccc3)c3nnc[nH]3)n2)cc1 239667653 BRARJSPAIOYKLO-MRXNPFEDSA-N 332.367 2.734 0 50 EFAA CSCC[C@@H](O)C(=O)N1CCC(Oc2ccccc2Cl)CC1 72447217 IHGIFAAUMQHZJA-CQSZACIVSA-N 343.876 2.824 0 50 EFAA Cc1cccc2nc(C(=O)N3CC[C@@H](c4ccccc4C(=O)O)C3)cn12 72167362 XNUIKONTYMXMMJ-CQSZACIVSA-N 349.390 2.971 0 50 EFAA CC(C)c1cc(NCc2noc([C@@H]3CCCO3)n2)n2nccc2n1 72154358 BGPJZXSPFKQMPH-LBPRGKRZSA-N 328.376 2.699 0 50 EFAA Cn1ccc2cc(CN(Cc3cccnc3)C[C@@H]3CCC(=O)N3)ccc21 215920239 YQUQKBKTEQFZHV-IBGZPJMESA-N 348.450 2.854 0 50 EFAA C[C@@H]1CN(c2cncc(Br)c2)C[C@@]2(CCCOC2)O1 241653375 PUOSZRVKEFHKQB-BXUZGUMPSA-N 327.222 2.618 0 50 EFAA CC[C@@H](C)[C@H](NC(=O)N1CCC(N2CCCC2=O)CC1)C(F)(F)F 241653349 PUKKGUSMCGNHQM-RISCZKNCSA-N 349.397 2.760 0 50 EFAA COC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2OC)CC(C)(C)O1 285669362 ZAQWCBFZWHENFU-AWEZNQCLSA-N 335.444 2.625 0 50 EFAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cc2ccccc2nc1O 284752080 VSZAPDKYZVXUKU-QXAKKESOSA-N 342.439 2.956 0 50 EFAA Cc1ccc(C(=O)N2CCN(CCCO[C@@H]3CCCCO3)CC2)cc1 338280593 LCMVQZNXLAXLFX-LJQANCHMSA-N 346.471 2.686 0 50 EFAA CCSc1cccnc1C(=O)N(C)CCNC(=O)OC(C)(C)C 496207805 PTVXXCSBJVYSOC-UHFFFAOYSA-N 339.461 2.790 0 50 EFAA C[C@H](O)CN1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)[C@@H](C)C1 286364414 YIEAYHMJOMFJIU-STQMWFEESA-N 341.402 2.717 0 50 EFAA c1ccc2c(c1)CC[C@@H](n1ccnc1)[C@H]2NCc1cnc2cnccn12 290331599 DUGXWABZVBSQSI-QUCCMNQESA-N 344.422 2.944 0 50 EFAA CCC[C@@H]1CCCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 176655681 UIGSOJYBBYXBSI-WLYUNCDWSA-N 330.494 2.564 0 50 EFAA CC[C@@H](NC(=O)c1nn(C)cc1C(=O)O)C12CC3CC(CC(C3)C1)C2 20614560 DMBRQJNAJBCXKV-UQBQRMDASA-N 345.443 2.843 0 50 EFAA CCc1cccc(OCCCN(C)C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 426388150 KJWZJLVSABGZGG-JKSUJKDBSA-N 333.428 2.977 0 50 EFAA CC(C)(C)c1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 41625430 CHXLPYXHHRXTSE-INIZCTEOSA-N 338.517 2.745 0 50 EFAA O=C(NCCc1ccc2c(c1)CCO2)N[C@H]1CCOC2(CCCC2)C1 177911520 BKDKEBJXHWFMRL-KRWDZBQOSA-N 344.455 2.955 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2ccc(-n3ccnc3)cc2)C1 82097342 FOUQVAMCFBNQJU-UHFFFAOYSA-N 349.390 2.784 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cn2ccsc2n1 91425474 BUMPJCJKIICMRV-CQSZACIVSA-N 337.408 2.764 0 50 EFAA Fc1ccccc1-c1noc(CCc2nc([C@@H]3CCOC3)no2)n1 96159852 ULMGCTBAFHLSBC-SNVBAGLBSA-N 330.319 2.548 0 50 EFAA Cn1cnnc1CCNC(=O)c1sc2cccc(F)c2c1Cl 91426254 JPABKASEWRGPKN-UHFFFAOYSA-N 338.795 2.795 0 50 EFAA CCN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)CC1=O 95518957 KQVUGWPZWLNFSR-GOSISDBHSA-N 340.467 2.653 0 50 EFAA COc1ccc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)cc1Cl 244678839 ILDJYENHAREMDR-GFCCVEGCSA-N 348.834 2.640 0 50 EFAA Cc1cccc(S(=O)(=O)NC[C@@]2(C)CCCC[C@@H]2O)c1Cl 180382578 AASRDXRPXMDBDD-DZGCQCFKSA-N 331.865 2.868 0 50 EFAA O=c1ccc(Br)cn1-c1ccc(Br)cn1 242750308 ZLBGWHYNLQASCZ-UHFFFAOYSA-N 329.979 2.758 0 50 EFAA CNc1nc(CN2CCC(Cc3noc(C4CC4)n3)CC2)cs1 244816889 SQKWQOGKXDKFQC-UHFFFAOYSA-N 333.461 2.900 0 50 EFAA CNC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 252493455 NCJJAOSKORPKRX-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA COCc1cc(CN2CCC[C@H](Oc3ccccc3OC)C2)no1 298217965 ZWAIXLCZHHEYAD-HNNXBMFYSA-N 332.400 2.873 0 50 EFAA Cc1cn2c(CN3CCN(Cc4cccnc4)CC3)c(C)nc2s1 183664617 QNRVUGWQTWIJOA-UHFFFAOYSA-N 341.484 2.725 0 50 EFAA Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cn1C 299760371 QQPPTCFFGMCVFX-YJBOKZPZSA-N 342.414 2.974 0 50 EFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)CC1=CSC3=NCCN13)CC2 299801947 ZFTICRCHMZCJGJ-GFCCVEGCSA-N 343.452 2.791 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(C)CCCc2c(C)n[nH]c2C)n1 299781297 UUVGKPNGTWWVGB-HNNXBMFYSA-N 329.448 2.698 0 50 EFAA O=C1CCC(CCC(=O)N[C@H](c2ccccc2)c2ccco2)=NN1 828000431 CWPNSVBBJVZHSZ-GOSISDBHSA-N 325.368 2.531 0 50 EFAA Cn1cc(CCC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cn1 828057219 SHNADYKXBYSLML-SFHVURJKSA-N 343.427 2.939 0 50 EFAA CCC(=O)N[C@H](C)C(=O)Nc1ccc(Oc2cccc(OC)c2)nc1 952974013 HMMZBGLBSGKASJ-GFCCVEGCSA-N 343.383 2.736 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)NCc1[nH]cc(C)c(=O)c1C 1456425763 UWGGQNMDZHUTCR-HNNXBMFYSA-N 332.375 2.605 0 50 EFAA CCNC(=O)c1cc(NC(=O)[C@@H]2CCCCCN2C)ccc1Cl 952980157 YGEYOHVIPDWMRL-HNNXBMFYSA-N 337.851 2.903 0 50 EFAA COc1ccccc1S(=O)(=O)Nc1ccnn1-c1cccc(F)c1 185140943 BAXDUCKVOFHTNX-UHFFFAOYSA-N 347.371 2.821 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N1CCN(CCN2CCCC2)CC1 268715286 IQGYZAUNHYAZFZ-UHFFFAOYSA-N 335.879 2.502 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(CCN(C)Cc3ccc(F)cc3)[C@@H]2C1 221890138 SUMKLIMHADQEQF-QRVBRYPASA-N 336.451 2.526 0 50 EFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H](C)C2CC2)cc1 170592884 WSQLFHIFJGTPMT-GFCCVEGCSA-N 330.457 2.705 0 50 EFAA C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)nn3)ccc2O1 170609221 KZIMTYJLLRKDMW-LLVKDONJSA-N 347.440 2.898 0 50 EFAA CO[C@@H](C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1 279808235 AEJZPCBYYBKYPZ-JTQLQIEISA-N 332.335 2.896 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC(Oc2ccccc2F)CC1 633932725 LYJMXUOQARIYNZ-UHFFFAOYSA-N 331.391 2.778 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)Nc1nc2ccccc2n1-c1ccccc1 187292975 OUYXHHYBIOOKSY-MRXNPFEDSA-N 334.379 2.585 0 50 EFAA Fc1ccc([C@@H]2CN(Cc3c[nH]cn3)CCO2)cc1Br 187520546 GRKJHPCKZZPJJF-AWEZNQCLSA-N 340.196 2.885 0 50 EFAA O=C(O)Cc1csc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1 685019671 WSXJZUBSSMFNBW-CXAGYDPISA-N 328.393 2.613 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc3c2OCO3)C1 190486122 WECVQCSAZOBZOB-QGZVFWFLSA-N 339.439 2.764 0 50 EFAA Cc1c(NC(=O)C[C@@H]2CCCCO2)nnn1Cc1ccccc1F 192379917 OEAXUWPIPYUMPR-AWEZNQCLSA-N 332.379 2.672 0 50 EFAA O=C(N[C@H](CO)Cc1ccccc1)c1cc(O)ccc1C(F)(F)F 194086431 FGKAHIAYDKSCSV-LBPRGKRZSA-N 339.313 2.744 0 50 EFAA C[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)[C@@H](c2ccccc2)CO1 675814123 ZCXKRSIWLFWZPE-RDTXWAMCSA-N 339.439 2.901 0 50 EFAA Cc1cc(C)n(C[C@@H](C)N2CCN(CCc3ccccc3)CC2)n1 1506406715 NAPRLDCRSQPHKL-LJQANCHMSA-N 326.488 2.749 0 50 EFAA CCOc1ncccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529102153 YMZTVVHUANZUPI-GEEKYZPCSA-N 331.460 2.671 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)CC2CCCC2)OCC(=O)N1C 1529182058 TXZBXBJRTBRRGE-MOPGFXCFSA-N 344.455 2.542 0 50 EFAA O=C1CCN(C[C@@H]2CC=CCC2)CCN1CCOc1ccccc1 12283283 MIEQWOQBFKOGGH-GOSISDBHSA-N 328.456 2.956 0 50 EFAA Cc1ccc(S(=O)(=O)N2N=N[C@@H]3[C@H]4C[C@H]([C@@H]32)[C@@H]2CC=C[C@H]42)cc1 169685054 XAGFDLUKDSVZOM-DBWAAGBOSA-N 329.425 2.946 0 50 EFAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)C1CCCCC1 169778377 MHVDOXBYRUSXLP-UHFFFAOYSA-N 335.411 2.988 0 50 EFAA Clc1ccccc1CN1CCc2nnc([C@H]3CCCO3)n2CC1 200542497 RYPIOXXCDGDQCR-OAHLLOKOSA-N 332.835 2.841 0 50 EFAA COC(=O)[C@H]1COCCN(c2nc3cc(C(C)(C)C)ccc3o2)C1 1857673231 LSJRKROMPCLUSI-GFCCVEGCSA-N 332.400 2.751 0 50 EFAA O[C@@H]1CN(Cc2cnsc2)C[C@H]1Cc1ccc2ccccc2n1 1857719014 CNRLQUSUFFXSJI-CRAIPNDOSA-N 325.437 2.727 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccc(C(F)(F)F)cn1 326062106 UNMKVUKPNSCUGW-GFCCVEGCSA-N 338.285 2.699 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 337157786 QOLUBJVQNREDRD-QRVBRYPASA-N 331.456 2.624 0 50 EFAA O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N[C@H]1CCCc2ccccc21 242287975 YJYQETDBXUOGQB-GBESFXJTSA-N 328.456 2.824 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCCc2c(C)noc2C)cn1 657354795 ZXIPHSWFFGTGHY-MAUKXSAKSA-N 332.448 2.808 0 50 EFAA C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)[C@H]1CO 252572369 ZDBQVGVJPZRCSS-MNEFBYGVSA-N 339.439 2.778 0 50 EFAA CC(=O)c1cc(CN2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)cs1 253383552 LXTWTIBYBRFPDB-CABCVRRESA-N 330.409 2.646 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ncccn3)no2)o1 253418545 SWSYGMVJZYBSTA-LBPRGKRZSA-N 339.355 2.795 0 50 EFAA Cn1cc(S(=O)(=O)Nc2cc3ccccn3n2)c(C2CCCC2)n1 903630065 ILUNKGMCNZCCGA-UHFFFAOYSA-N 345.428 2.526 0 50 EFAA Cc1noc(C)c1-c1noc([C@H]2CCN(Cc3ccccc3)C2=O)n1 904086365 GTRBGXIRWDYVND-CQSZACIVSA-N 338.367 2.858 0 50 EFAA CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(C(=O)O)cc2)CC1 819954974 FWGKLTUQHTYVKZ-CQSZACIVSA-N 332.444 2.758 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)C[C@H]1C(=O)Nc2c(F)cccc21 931141053 OAOPRDXEGPPOBL-CQSZACIVSA-N 340.354 2.849 0 50 EFAA Cc1cc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)no1 874434783 DYBSQNDRYWDMGE-INIZCTEOSA-N 345.399 2.635 0 50 EFAA COc1cc(-c2noc([C@H]3CCCCN3C)n2)cc(OC)c1OC 952876087 QGZQWDOPOQPDIU-GFCCVEGCSA-N 333.388 2.919 0 50 EFAA NC(=O)C[C@@H]1CCN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)C1 952992003 HPYDYJBQCBMNEI-JTQLQIEISA-N 349.797 2.714 0 50 EFAA CN1CC(=O)Nc2cc(C(=O)N3CC=C(c4ccccc4)C3)ccc21 1875258235 JNPLJJOGARSELT-UHFFFAOYSA-N 333.391 2.614 0 50 EFAA Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)CCC3)o1 1875262901 NIKFTJYAEVVEAK-OAHLLOKOSA-N 349.408 2.571 0 50 EFAA C=CC(=O)N1CC(C(=O)N[C@@H](C)c2csc(-c3ccccc3)n2)C1 1875387378 FJQVFRSZGSTRDX-LBPRGKRZSA-N 341.436 2.632 0 50 EFAA COCc1csc(C(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)c1 1875319138 QKBKJNMBUNYOHU-UHFFFAOYSA-N 348.815 2.803 0 50 EFAA Cc1ncc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)s1 886563115 NBWWRYSRYLAXKY-NSHDSACASA-N 330.331 2.934 0 50 EFAA O=C(NCc1ccc2ccc(Br)cc2c1)N1CC[C@H]1CO 896424070 XJFJGTYZJLTADO-HNNXBMFYSA-N 349.228 2.879 0 50 EFAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCOc1ccc(F)nc1 1775990268 DWEMNMSIEVAWPS-ZDUSSCGKSA-N 342.367 2.650 0 50 EFAA C[C@@]1(CC(=O)Nc2ccccc2)NC(=S)N(c2ccccc2)N1 13521630 ADSICTPXYZSSMM-QGZVFWFLSA-N 326.425 2.631 0 50 EFAA CC1(C)OC2(CCN(C[C@H]3CC[C@@]4(C3)CC4(F)F)CC2)NC1=O 2325778702 KMHSOYACEBRFFD-SWLSCSKDSA-N 328.403 2.529 0 50 EFAA O=C(C[C@@H]1CC=CCC1)N[C@H](c1ccc(Cl)cc1)c1nn[nH]n1 2325807884 BUJIXEAUDPPEQV-IAQYHMDHSA-N 331.807 2.805 0 50 EFAA COc1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1OC 249635 KTAOOOGRNWFPNM-UHFFFAOYSA-N 345.395 2.694 0 50 EFAA C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 475777 IVBXGWQNGCEREI-CYBMUJFWSA-N 332.425 2.679 0 50 EFAA O=C(O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 488396 LBMVWKKTMWODMQ-UHFFFAOYSA-N 334.331 2.705 0 50 EFAA biogenic Cc1cc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)cc2sc(=N)[nH]c12 2356137299 JHSUOAWRWAVTSO-ITGUQSILSA-N 331.441 2.535 0 50 EFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3ccccn3)n21 2356141622 JHILYLSDWLZLAH-LBPRGKRZSA-N 337.358 2.583 0 50 EFAA COC(=O)CN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 4694766 UKIZREZRDQLVLW-UXBLZVDNSA-N 345.298 2.915 0 50 EFAA O=C1[C@@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1C1CC1 411996046 GASBTSQTHQUGEG-ROUUACIJSA-N 326.440 2.603 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1 10302217 CFJXRLHHWAMOSW-OAHLLOKOSA-N 346.452 2.840 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225489349 SPIUGZIVUCMKLC-KDOFPFPSSA-N 337.354 2.717 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CCO1 225406008 LYOIHLLQITZYAV-KVSKMBFKSA-N 334.460 2.752 0 50 EFAA COCc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 225539976 BHWIQOXMKKILOT-ZWKOTPCHSA-N 329.371 2.920 0 50 EFAA Cc1cccc(Cn2nc(C)cc2NC(=O)c2cc(C)[nH]c(=O)c2)c1 55227942 VYNXVWHSZKRFAX-UHFFFAOYSA-N 336.395 2.797 0 50 EFAA COc1ccccc1N1CCN(Cc2ccc(NC(C)=O)cc2)CC1 55542863 OAMGLMPZLRBHBP-UHFFFAOYSA-N 339.439 2.976 0 50 EFAA COc1cccc(CN2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)c1 20773968 APRXUFDYZRDPNV-SFHVURJKSA-N 344.455 2.665 0 50 EFAA CCCCC(=O)Nc1cc(NC(=O)c2cnccn2)ccc1OC 55226200 DPCVLIUSAGOBQB-UHFFFAOYSA-N 328.372 2.866 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1F 247997144 JZSNVENDYWFXJX-NVXWUHKLSA-N 334.435 2.710 0 50 EFAA CCn1ncc(C(=O)NCCOc2cccc3ccc(C)nc23)c1C 65454825 YJYHMGIIJILUHE-UHFFFAOYSA-N 338.411 2.877 0 50 EFAA CN1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@H]1CCO 104447751 RGPGXMFZEAIJGX-HXUWFJFHSA-N 340.467 2.764 0 50 EFAA CC(C)c1nc(CCNC(=O)[C@@H]2CCCN(C3CCCCC3)C2)no1 65385020 FPLQCBKHGMMFQP-OAHLLOKOSA-N 348.491 2.896 0 50 EFAA O=C(O)c1cn(C[C@@H]2CCCN(c3nc4ccccc4s3)C2)nn1 67695321 OCDIHYSRHFPMAZ-LLVKDONJSA-N 343.412 2.503 0 50 EFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 67434982 UZRDOCWUPLNJCJ-HNNXBMFYSA-N 326.396 2.615 0 50 EFAA CCc1ccccc1NC(=O)CN1CCN(Cc2ccco2)CC1 20213551 KTHSZADGHSJVNJ-UHFFFAOYSA-N 327.428 2.598 0 50 EFAA Fc1ccc(CNc2ncc(F)c(N3CCOCC3)n2)c(Cl)c1 65451477 XFBLGZLXSZSSKA-UHFFFAOYSA-N 340.761 2.857 0 50 EFAA C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C(=O)O)c2ccccc21 281284159 DUCRRYROWPKHSN-BBRMVZONSA-N 325.364 2.807 0 50 EFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 205081 FMZQRXKMUFIYCN-HZPDHXFCSA-N 327.384 2.761 0 50 EFAA CN(C)c1ccc([C@H](O)[C@](C)(O)c2nc3ccccc3n2C)cc1 450717 UKURFEZPMWJIHX-HKUYNNGSSA-N 325.412 2.580 0 50 EFAA COc1cc(F)ccc1N1CCN(C(=O)Nc2ccnc(C)c2)CC1 120130916 CWVYJNJCCQFRCX-UHFFFAOYSA-N 344.390 2.892 0 50 EFAA CC[C@H]1COCCN1C(=O)NCCc1csc(C(C)(C)C)n1 153778857 RACLHDAPELZJLH-ZDUSSCGKSA-N 325.478 2.804 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@@H]1C(F)(F)F 328593614 OFQHGAOZAYKMGG-LLVKDONJSA-N 327.331 2.911 0 50 EFAA Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@H]3O)cc2c1 253623530 YLBIQGYMGWNKDN-BZUAXINKSA-N 329.396 2.743 0 50 EFAA OCCOc1cccc(CN2CCCN(c3ccc(F)cc3)CC2)c1 72143658 FHFOVXBGYZHCDZ-UHFFFAOYSA-N 344.430 2.909 0 50 EFAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cnn2cccnc12 359329173 KQYLKMSYQHXBSQ-UHFFFAOYSA-N 332.323 2.564 0 50 EFAA C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1C(C)(C)C 328642705 YKWPSWSPXRLLMP-UXLLHSPISA-N 339.501 2.890 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)N1CC[C@@H](Oc3ccccn3)C1)O2 330008304 GNXJFOXRNHNGMW-SJLPKXTDSA-N 338.407 2.764 0 50 EFAA CCCOc1ccc(OCCN2CCC[C@@]3(C2)CN(C)C(=O)O3)cc1 72168757 VZXHOYLSQOXDEN-IBGZPJMESA-N 348.443 2.771 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)c1ccc(N2CCCCCC2)nc1 153158531 BSDUDKYEFLPPNB-UHFFFAOYSA-N 336.399 2.986 0 50 EFAA COc1ccc(CC2CCN(C(=O)[C@H](O)c3cccnc3)CC2)cc1 363514885 ZBKAHLPLLLUGDS-LJQANCHMSA-N 340.423 2.605 0 50 EFAA C=Cc1cccc(C[C@@H]2CC[C@H](CN3CCN(C(C)=O)CC3)O2)c1 72411417 JFCFILQDZONURJ-VQTJNVASSA-N 328.456 2.584 0 50 EFAA CCn1cc([C@H](C)NC(=O)NCc2ccc(OCC3CC3)nc2)cn1 454428886 RFPWMBLDOGGDSK-ZDUSSCGKSA-N 343.431 2.647 0 50 EFAA CC(C)C(=O)N1CCC(NC(=O)[C@H](C)Cc2ccccc2F)CC1 155824400 SVUSLLMRPAYTSW-CQSZACIVSA-N 334.435 2.768 0 50 EFAA Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 239667684 BRHVFCCPUDGYDL-NWANDNLSSA-N 342.399 2.980 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCCOCC3)c(C)o2)c1 71746388 JUJMQWRRQQGFOU-UHFFFAOYSA-N 332.400 2.890 0 50 EFAA O=C(NCCCN1CCCCC1)C1CCN(Cc2ccccc2)CC1 39754496 SRUUQOZKSZTOKY-UHFFFAOYSA-N 343.515 2.891 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCc2ccccc2)c1 282377872 GLYCEWIFZQOKCL-HKUYNNGSSA-N 325.408 2.962 0 50 EFAA Cn1cc(C(=O)NCCN2CCc3ccccc3C2)c2ccccc21 30318861 BGLNSAAEKAKORO-UHFFFAOYSA-N 333.435 2.966 0 50 EFAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Cc1cccc(C(=O)O)c1 262091650 COEPTPIWKKDAJG-DOTOQJQBSA-N 333.428 2.885 0 50 EFAA O=C(N[C@@H]1C=CCCC1)N1CCN(c2ncnc3ccsc23)CC1 158838952 WAQMCOZTPJYJBF-CYBMUJFWSA-N 343.456 2.632 0 50 EFAA CCOc1ccc(-c2ccnc(NC[C@@H]3CCCO3)n2)cc1C(=O)O 72469296 BSUVHISTOYRLLZ-ZDUSSCGKSA-N 343.383 2.831 0 50 EFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccncc1 71283942 SZQFKJQWIYLJDI-UHFFFAOYSA-N 340.770 2.597 0 50 EFAA O=C(NC[C@@H]1OCCc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 378523564 RURCVLOQTTZCSJ-ROUUACIJSA-N 340.427 2.960 0 50 EFAA COc1ccc2sc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c(C)c2c1 173494508 BJQOWGUULLUZDA-HNNXBMFYSA-N 346.452 2.815 0 50 EFAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(Cn2cccn2)CC1 223918968 BBWAMSPECKUETR-ZDUSSCGKSA-N 333.819 2.900 0 50 EFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(C)c(F)c1 457284769 QSLSYBAVGFXMQE-UHFFFAOYSA-N 333.407 2.773 0 50 EFAA COC[C@H]1CN(c2nc(-c3ccccn3)nc(C)c2C)CC(C)(C)O1 285151087 TXMUAAHHNDQKAD-OAHLLOKOSA-N 342.443 2.786 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@@H](O)c2ccccc2Cl)n(C)n1 82119952 FOMFWPYPKVDAJS-MRXNPFEDSA-N 335.835 2.735 0 50 EFAA O=C(NC[C@@H]1CC[C@H](O)C1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 287789716 BEAOBOFDWFGTMW-QCSYZSNVSA-N 328.456 2.640 0 50 EFAA O=C(NC[C@H](O)c1ccncc1)c1csc(-c2cccs2)n1 82108489 KEDWQIFYORCXPQ-LBPRGKRZSA-N 331.422 2.730 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1F 177770166 IEXQMLIWZWKXBA-BBRMVZONSA-N 346.406 2.824 0 50 EFAA Cc1cccc(OC2CN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)c1 82138824 OWTYORMAKXCQSW-UHFFFAOYSA-N 336.395 2.558 0 50 EFAA Cc1ccccc1-n1c(CN)nnc1SCc1nc(C2CC2)no1 426563529 TYUJNVRYQNVTOQ-UHFFFAOYSA-N 342.428 2.587 0 50 EFAA C[C@]1(O)CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@@H]1O 96149784 KYPPCPCJTQXVRC-FPOVZHCZSA-N 339.435 2.630 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)C12CCCCC2 178606862 BSNHKIHPBVGWFH-UONOGXRCSA-N 337.489 2.802 0 50 EFAA CCCn1cc(C(=O)N2CCC(Nc3ccccn3)CC2)c(C)n1 91690582 UOAVPMUGENANHM-UHFFFAOYSA-N 327.432 2.713 0 50 EFAA Cc1cnn(CC2CCN(C(=O)CCCN3CCCCC3)CC2)c1 95372332 WSGYUJUZCGCZGC-UHFFFAOYSA-N 332.492 2.696 0 50 EFAA CC(C)c1nc(CN2CCCC[C@H]2CCN2CCN(C)CC2)co1 97468616 YXZFMLBOFKGSCI-SFHVURJKSA-N 334.508 2.790 0 50 EFAA O=C1C[C@@H](CNc2nccc(-c3ccccn3)n2)CN1C1CCCC1 96153671 BRESGWLCLPKKTD-AWEZNQCLSA-N 337.427 2.742 0 50 EFAA COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2 95371674 VMWCKDUCWSQUOF-SFHVURJKSA-N 330.472 2.751 0 50 EFAA COc1ccc(OC[C@@H](O)CNC2CCCCC2)c2c1C(=O)CCC2 96028109 GAZFPSNAMOMZDZ-HNNXBMFYSA-N 347.455 2.876 0 50 EFAA CC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1ccnn1C 91644491 ATMUFXHHRPTAAF-AWEZNQCLSA-N 339.399 2.700 0 50 EFAA CC(C)O[C@@H](C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 97619688 NWJKNELNHXJABX-ZDUSSCGKSA-N 325.836 2.964 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(CCCOc1cccc(OC)c1)C2 91781857 JDCKEMXYGMQWBR-DLBZAZTESA-N 346.471 2.797 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 237410155 XAFLFMJAODVGQS-VXGBXAGGSA-N 328.815 2.834 0 50 EFAA Cc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)cc1C 95356228 UALLJXJOIPYIEB-GOSISDBHSA-N 344.455 2.764 0 50 EFAA O=C(N1CCCC1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95381064 CGCLPTWTGVAQAP-AWEZNQCLSA-N 345.472 2.783 0 50 EFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cccc2c1OCCO2 240824827 QLDQAFLUUXAZDY-OZVIIMIRSA-N 345.420 2.761 0 50 EFAA C[C@H](C(=O)N(C)Cc1ccccn1)N(C(=O)OC(C)(C)C)C1CC1 294444443 LVIFSBGDRRPHGJ-CYBMUJFWSA-N 333.432 2.828 0 50 EFAA O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)Cc1ccccc1-3)[C@H]1CC[C@H]2O1 245226098 HYWAXBUFGRBDKI-NCXUSEDFSA-N 331.371 2.925 0 50 EFAA CC[C@@H](NC(=O)Nc1nc(C)n(C)n1)c1ccccc1OC(F)F 297084271 OGVDKGMNKIKOME-LLVKDONJSA-N 339.346 2.998 0 50 EFAA O=C(O)c1coc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 183777132 LPQCHIQHVTWNAH-OAHLLOKOSA-N 347.342 2.938 0 50 EFAA Cc1noc(C2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)n1 299435154 POFFNJPDQGEEDJ-UHFFFAOYSA-N 336.342 2.745 0 50 EFAA CCCCN1CCC(CNC(=O)N2Cc3ccccc3[C@@H](O)C2)CC1 534583460 FUSUOYZWCKAJTF-IBGZPJMESA-N 345.487 2.757 0 50 EFAA Cc1nnc(CN2CCCN(C(=O)CCc3ccccc3)CC2)s1 271385746 FCTXXMBGIVRYPV-UHFFFAOYSA-N 344.484 2.514 0 50 EFAA COc1ccc(F)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 39429871 NMNBKMAXVMUBQI-QGZVFWFLSA-N 336.451 2.646 0 50 EFAA CC[C@@H](C)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)n(C(C)C)n1 822619952 BBQYCCPAXJHMEU-GFCCVEGCSA-N 336.461 2.762 0 50 EFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 584896102 MGYLFNMZRXCCAI-YMTOWFKASA-N 345.369 2.934 0 50 EFAA CNC(=O)Cc1nc(-c2ccc(F)cc2)cc(-c2c(C)noc2C)n1 823825691 KYUKSKUWMVLLRX-UHFFFAOYSA-N 340.358 2.843 0 50 EFAA CC[C@H]1CC[C@H](C(=O)N2CCCN(C(=O)c3cc(C)on3)CC2)CC1 940175915 MJPQUDZHTORWGV-WKILWMFISA-N 347.459 2.874 0 50 EFAA CC(C)(C)NS(=O)(=O)c1ccc(-c2ncccc2C(=O)O)cc1 65349320 TYQOMMMJTCRLOB-UHFFFAOYSA-N 334.397 2.524 0 50 EFAA in-vitro COC[C@H]1[C@@H](NC(=O)c2sc3ccccc3c2C)[C@H]2CCO[C@H]21 1565509641 IPHOSZGUGSLTBZ-BFJAYTPKSA-N 331.437 2.989 0 50 EFAA CCC[C@H](C)CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 408521631 AIRBDLVHDSIIGY-AWEZNQCLSA-N 342.480 2.691 0 50 EFAA CC[C@@H](NC(=O)c1nc(C(C)C)ncc1Cl)[C@H](O)C(F)(F)F 270944502 YEHXUMRETHRSLU-SCZZXKLOSA-N 339.745 2.685 0 50 EFAA CCc1nc(CNC(=O)N2CCSC3(CCOCC3)C2)cs1 185692247 OEWKQCVQHFHIQY-UHFFFAOYSA-N 341.502 2.513 0 50 EFAA Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccnc(-n2ccnc2)c1 188092181 RFOUXKMZIAAQAZ-INIZCTEOSA-N 334.379 2.829 0 50 EFAA Cn1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1=O 188144363 DKNKQDRCCKFKDE-UHFFFAOYSA-N 343.127 2.678 0 50 EFAA C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)[C@@H](O)c1cccc(F)c1 760464070 RCBHSVVKTVHAIE-ISVAXAHUSA-N 341.791 2.962 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(OC)CC1 1506421592 RHIBDUQODBYVMQ-UHFFFAOYSA-N 347.864 2.847 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cnc(C(=O)O)cn1 1506397221 ACKPLKNJOGUOCW-UHFFFAOYSA-N 341.346 2.729 0 50 EFAA CCOc1ccc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1OC 1529126014 LPRIFXDIPSNQIK-MSOLQXFVSA-N 342.439 2.524 0 50 EFAA CC(C)Oc1cccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 1529145289 GHDXQJXYQVHFJR-IXDOHACOSA-N 344.455 2.803 0 50 EFAA COc1cccc2c1C1(CCN(c3nc(CO)cs3)CC1)OCC2 1704327831 HHKFVIPABALJIQ-UHFFFAOYSA-N 346.452 2.712 0 50 EFAA O=C1OCC2=C1[C@@H](c1ccc(O)cc1)CC(=O)N2c1ccc(F)cc1 5240768 LKDVLWSIZOKVOX-OAHLLOKOSA-N 339.322 2.863 0 50 EFAA OCCC[C@H]1CCCCN1Cc1nc(Cc2ccccc2F)no1 11842459 UCDBGWQGNHFLHO-OAHLLOKOSA-N 333.407 2.927 0 50 EFAA O=C(c1cn(C2CCCCC2)nn1)N1CCN(C2CCCCC2)CC1 12759875 BNVFHMFPHBWERJ-UHFFFAOYSA-N 345.491 2.874 0 50 EFAA CCCCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 13482405 QTNWTSGOIKOVAQ-AWEZNQCLSA-N 326.487 2.673 0 50 EFAA O=C(C1CC1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2)C1 14969670 PVUWODXKGYDMFX-WBVHZDCISA-N 330.403 2.689 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNC1CCCCCC1 14981000 GDACGSKOGXGKMS-FQEVSTJZSA-N 348.462 2.992 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1 16577752 QGTICSZJLIEWKV-UHFFFAOYSA-N 344.436 2.675 0 50 EFAA COc1ccc(OCC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1 150750720 OIEXONGETDZSPM-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1c(Cl)cccc1Cl)C2 1857669618 SJOAJPZFMHFWQR-ZUZCIYMTSA-N 330.211 2.917 0 50 EFAA CN1C(=O)NCC12CN(c1nc(-c3ccccc3)nc3ccccc13)C2 1857690769 SDXVJFGQNSBFCI-UHFFFAOYSA-N 345.406 2.511 0 50 EFAA O=C1CC2(CCN(Cc3ccccc3-c3ccco3)CC2)OCCN1 1857692329 ZLMQFOOEOSCNFR-UHFFFAOYSA-N 340.423 2.818 0 50 EFAA COc1cc(C(=O)N2CC[C@H](N)C2)cc(Cl)c1OCC(C)C 132351574 UXQVSDNUZXSDNO-LBPRGKRZSA-N 326.824 2.557 0 50 EFAA COc1ccccc1-c1nc(C(=O)NC2(CO)CCCC2)cs1 305862022 YHFOOUGSDXCPQP-UHFFFAOYSA-N 332.425 2.854 0 50 EFAA C[C@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)NCc1ccccc1 118215241 LTJLHNIAKNSGHV-BBRMVZONSA-N 340.448 2.697 0 50 EFAA CCc1nnc(C)cc1C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 423600649 BHBYHHCYFFOOPG-KRWDZBQOSA-N 344.846 2.788 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@H](C)CC2CCOCC2)cn1 328649841 VFXNOPCJPDXZRK-QBIMZIAESA-N 334.464 2.858 0 50 EFAA CC[C@H](C)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)on1 236910357 UBXAWDVLZYVGOX-XHDPSFHLSA-N 328.368 2.840 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 238091342 BHLBYKBSDQYOBU-SJORKVTESA-N 327.355 2.986 0 50 EFAA Cc1cc(N2CCC[C@@H](NC(=O)c3cnc4ccccc4c3)C2)n(C)n1 655064480 BNWRZGQFHNFFLT-QGZVFWFLSA-N 349.438 2.676 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 241588325 PBYZFJCHRZCGTC-SNVBAGLBSA-N 333.775 2.667 0 50 EFAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1cccc(F)c1)C[C@H]1CCCO1 252511739 KGUAYWABIHVLHD-ZJPYXAASSA-N 333.403 2.901 0 50 EFAA CSc1ccccc1S(=O)(=O)N1CCC[C@@H]2CNCCC[C@H]21 375990316 XLXKWOBZDJPAJW-ZIAGYGMSSA-N 340.514 2.561 0 50 EFAA Cc1cccc([C@@H](NC(=O)[C@H]2Cc3ccccc3O2)C(=O)O)c1C 262923581 FKWPQFNWKLEWEI-IAGOWNOFSA-N 325.364 2.549 0 50 EFAA C[C@@](NC(=O)c1cc2c(s1)CCOC2)(C(=O)O)c1ccc(F)cc1 263060932 BGBLITNCPUGYMV-KRWDZBQOSA-N 349.383 2.690 0 50 EFAA CC(C)(C)c1nsc(NC(=O)NCc2ccc(C(=O)O)cc2)n1 263497091 RJJYODFCWUSTBV-UHFFFAOYSA-N 334.401 2.856 0 50 EFAA CN(C)C(=O)O[C@H]1CCN(c2nc(C(F)F)nc3ccccc23)C1 497164107 IMKSLUSYVZIXHW-JTQLQIEISA-N 336.342 2.844 0 50 EFAA COC[C@@H]1CCN1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 873215499 FICZUAKRVNPQAY-LBPRGKRZSA-N 337.326 2.550 0 50 EFAA C[C@H]1C[C@H](CN2CCC(n3c(O)nc4cccnc43)CC2)CCO1 952884058 SPMJNIKTGVNCAS-UONOGXRCSA-N 330.432 2.589 0 50 EFAA CCn1cc(CNc2cc(C)nc3c(Br)c(C)nn23)cn1 1875271975 KYOVLRWIXDBNOO-UHFFFAOYSA-N 349.236 2.937 0 50 EFAA CCOc1cccnc1S(=O)(=O)NC[C@H]1CCCc2ccccc21 1875327685 GFMOSRZGIDQYPP-OAHLLOKOSA-N 346.452 2.879 0 50 EFAA Cc1ccc(C(=O)N[C@H](CC(=O)O)c2nccs2)c2c1CCC2 1875396849 FMUOLRVNZAZHKQ-CQSZACIVSA-N 330.409 2.886 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc(Oc3ccncc3)c2)cn1 1875381167 MFJIZFHEFFXTGK-WAIKUNEKSA-N 336.395 2.871 0 50 EFAA O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CC(C2CCOCC2)=NO1 1875301011 ZXEITFJICYXQBB-WMZOPIPTSA-N 346.402 2.891 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1NC(=O)c1coc(C2CCCCC2)n1 886726452 NEJPJNPKTIVJLK-CQSZACIVSA-N 333.432 2.757 0 50 EFAA Cn1ccc(-c2cc(C(=O)N3CC[C@H](Cc4nccs4)C3)n[nH]2)c1 890212466 KOAOPAHBDZDGPK-GFCCVEGCSA-N 341.440 2.577 0 50 EFAA O=C(NCc1cnn(CC2CCC2)c1)N[C@H]1COCc2ccccc21 895403456 GCVDGICXOAGTNP-SFHVURJKSA-N 340.427 2.754 0 50 EFAA O=[S@](c1ccccc1N1C[C@H]2CC[C@@H](O)C[C@H]2C1)C(F)(F)F 1775998469 DPSHFEWMQSLPHI-HUZXXZKOSA-N 333.375 2.911 0 50 EFAA O=C(OCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(CC2CC2)C1 1775996382 ZGRYZTJLOUTGPR-OAHLLOKOSA-N 326.396 2.512 0 50 EFAA CCC(CC)(CNC(=O)CCc1nc2cccc(F)c2[nH]1)C(=O)O 2325753750 SCMCMCVLMCYCMR-UHFFFAOYSA-N 335.379 2.642 0 50 EFAA C[C@H]1c2ccccc2C[C@@H]1C(=O)NCc1ccccc1Cn1cncn1 2325792428 AKYSSKSQTRSFIS-YWZLYKJASA-N 346.434 2.919 0 50 EFAA Cc1cc([C@H](NC(=O)c2cnn3c2CCC[C@@H]3C)C(=O)O)ccc1F 2325793528 YULQBWDDYHVBHA-ZBEGNZNMSA-N 345.374 2.784 0 50 EFAA Cc1nc(-c2ccccc2NC(=O)[C@H](CC(C)C)NC(N)=O)[nH]c1C 2325861727 ZANAARGUIZKQEO-HNNXBMFYSA-N 343.431 2.715 0 50 EFAA COc1cc2c(cc1CN[C@@H](c1nccn1C)C1CC1)O[C@@H](C)C2 127560541 JMVJGYOMEVMVES-KPZWWZAWSA-N 327.428 2.993 0 50 EFAA O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(F)c1 254470 PSSKSEHVOYWYOW-UHFFFAOYSA-N 327.403 2.977 0 50 EFAA CCc1c(C)sc(NC(=O)c2cc(OC)cc(OC)c2)c1C(N)=O 433673 VLXKMMMDDQCHEJ-UHFFFAOYSA-N 348.424 2.987 0 50 EFAA O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O 619667 UYDRRFQVCMZBQH-UHFFFAOYSA-N 346.795 2.954 0 50 EFAA O[C@H]1CCN(c2nccn3c(-c4cc(F)cc5cccnc45)cnc23)C1 2356137239 UNFOSCZVUKTQKM-AWEZNQCLSA-N 349.369 2.655 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(c3ccc(-c4nc(C)no4)cn3)C[C@H]21 2356144520 BOUJYPRFUUUDJC-DAYGRLMNSA-N 328.416 2.817 0 50 EFAA COc1ccc(-c2cnc3cncc(N4CCC(O)CC4)n23)cc1F 2356145619 FWPJJIWCITWNBM-UHFFFAOYSA-N 342.374 2.505 0 50 EFAA CCOC(=O)c1c(COC(C)=O)[nH]c(C(=O)OC(C)(C)C)c1C 2518814 ZNKUTMCRLHJDJW-UHFFFAOYSA-N 325.361 2.518 0 50 EFAA Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(C)o3)CC2)o1 2755624 UJFFNJAUSLZKDD-UHFFFAOYSA-N 330.384 2.772 0 50 EFAA CC(C)Oc1cccc(OCCN2CCC[C@]23CCCNC3=O)c1 2356165317 CFSDWXOWVATCBB-IBGZPJMESA-N 332.444 2.597 0 50 EFAA O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1O 3105437 XUMODRMKFVKYTF-UHFFFAOYSA-N 341.388 2.958 0 50 EFAA O=C(CSc1ncn(-c2ccccc2)n1)NCCc1ccccc1 4740069 JHMWZTFPCRTANP-UHFFFAOYSA-N 338.436 2.718 0 50 EFAA c1cc(N2CCCN(c3ccnc(C4CC4)n3)CC2)nc(C2CC2)n1 110126590 OACYUSBYMDQURL-UHFFFAOYSA-N 336.443 2.738 0 50 EFAA O=C(Nc1ccc(-n2cccn2)cc1)c1cnc(C2OCCO2)s1 225796557 DXEKLVVLCGRXPY-UHFFFAOYSA-N 342.380 2.627 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N[C@H]3CC(=O)N(C(C)C)C3)cc2c1 55052891 NUWZQDNZMRNZDD-HNNXBMFYSA-N 325.412 2.591 0 50 EFAA Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)c(=O)n(-c2ccccc2)n1C 55307004 TVRCJUNQPJVWPP-UHFFFAOYSA-N 348.362 2.726 0 50 EFAA Cc1cc(C(=O)NC2CC2)ccc1NS(=O)(=O)c1ccccc1 10314206 JXPFDLSESZKXIQ-UHFFFAOYSA-N 330.409 2.688 0 50 EFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(F)c1)C(=O)CO2 10682610 AGATXLRGWFNGBD-UHFFFAOYSA-N 328.343 2.807 0 50 EFAA O=C1CC[C@H](c2nc(-c3ccc4c(O)ncnc4c3)no2)n2cccc21 350199390 AFANUJNCEKFAIU-CQSZACIVSA-N 347.334 2.753 0 50 EFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccnc(N)c4)CC3)nc12 67851242 XDHKLJLGDVQFOT-UHFFFAOYSA-N 335.411 2.868 0 50 EFAA CON(C)C(=O)[C@H](CCSC)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 252585462 IRHAVIRJKYKHCE-FGZZBPHYSA-N 326.506 2.542 0 50 EFAA Cc1ccc(Oc2ncccc2CNC(=O)[C@@H](C)N2CCCC2)cn1 67457879 DKVRFAHTSFGTKN-OAHLLOKOSA-N 340.427 2.678 0 50 EFAA O=C([C@@H]1CCCN(C2CCCCC2)C1)N(CCO)Cc1ccco1 65370513 QTSDGSYFSLGQBO-MRXNPFEDSA-N 334.460 2.645 0 50 EFAA COC(=O)c1ccc([C@H](C)N2CCC[C@@H](Cc3nccn3C)C2)o1 230212661 FZTPRAWANMHAEE-KBPBESRZSA-N 331.416 2.815 0 50 EFAA CCCN1C(=O)COc2ccc(C(=O)c3ccccc3C(=O)O)cc21 1393521 UDBCXBJIXMMGSX-UHFFFAOYSA-N 339.347 2.751 0 50 EFAA CN1CCCC(C)(C)[C@H]1CNC(=O)c1cnnc(-c2ccccc2)c1 355327118 VKSDORGXJQLBCP-GOSISDBHSA-N 338.455 2.994 0 50 EFAA CCn1ncc(Cl)c1CN(C)C(=O)c1noc2c1C[C@H](C)CC2 2808052 HIFPBIOHMJOGKZ-SNVBAGLBSA-N 336.823 2.941 0 50 EFAA Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1ccccn1)CC2 121867742 ZWFFKSKKPPMRBZ-JTQLQIEISA-N 336.317 2.942 0 50 EFAA COc1cc(C(=O)N2CCN(c3ccc(C)cc3)C[C@@H]2C)ccn1 77287205 DISYWYYUGOUFEL-HNNXBMFYSA-N 325.412 2.750 0 50 EFAA Cc1ccc(CNC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 6400628 WCSDNSJYTUFWII-UHFFFAOYSA-N 341.480 2.897 0 50 EFAA O[C@H](COc1ccc(Cl)cc1Cl)CN1CCOC2(CCC2)C1 154147801 SOSMMPFLMWJIAM-ZDUSSCGKSA-N 346.254 2.988 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc2nc[nH]c2c1 328653954 XCNXVAXHIXRANE-LPHOPBHVSA-N 349.438 2.723 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)COc1cccnc1 328641875 YEEVTZLGKQEMGV-CYBMUJFWSA-N 331.441 2.804 0 50 EFAA CC1(C)SC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 253432501 KUEBXLFMLJEYRA-LBPRGKRZSA-N 343.832 2.692 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)CC2)n1 363017506 ROUSVEOXHRKECC-MRXNPFEDSA-N 334.464 2.595 0 50 EFAA NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 232716312 ALPSBOSGBUHHES-UHFFFAOYSA-N 337.301 2.855 0 50 EFAA Fc1cccc(F)c1CC[C@H]1CCCN(CCCn2cnnn2)C1 72141827 YFRJSYOTPXPKNG-CQSZACIVSA-N 335.402 2.686 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc(O)n1 542773847 SGXIINAMKKCSPC-UHFFFAOYSA-N 344.436 2.861 0 50 EFAA CC(C)[C@H]1CN(C(=O)C(C)(C)N)CCCN1Cc1ccc(F)cc1 71749396 YESOJBFCJLVLQL-QGZVFWFLSA-N 335.467 2.622 0 50 EFAA CN(Cc1nc(C2CC2)no1)c1nccc(CCC(F)(F)F)n1 71614950 GVBCFVNKOBOBDG-UHFFFAOYSA-N 327.310 2.868 0 50 EFAA CCNC(=O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1 72412066 KSZXRQDNVRCRGS-MRXNPFEDSA-N 349.438 2.667 0 50 EFAA C[C@H]1C[C@@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CCN1C 331618469 SXUVCMSKTKTWHH-IUCAKERBSA-N 329.326 2.687 0 50 EFAA COc1cc(F)c(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1OC 364464237 GXPZXCZYSDUPRF-CYBMUJFWSA-N 337.391 2.874 0 50 EFAA O=C(c1ccccc1COC1CCOCC1)N1CC[C@H]2OCC[C@H]2C1 365952618 GGYJPDJJABRLBT-HNAYVOBHSA-N 345.439 2.633 0 50 EFAA CCc1cc(NC[C@@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1 72422831 FNCPQOCAKFBAKU-MRXNPFEDSA-N 326.400 2.760 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 240551552 GUPFHHDLNHFNQC-OTWHNJEPSA-N 344.455 2.635 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)Nc1ncc(C2CCNCC2)s1 262071397 PDZWVTYTHYCGIZ-UHFFFAOYSA-N 341.440 2.668 0 50 EFAA O=C(NCc1nc2ccccc2[nH]1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 372276130 WNPMQKIDLHXMJN-OXHZDVMGSA-N 339.317 2.535 0 50 EFAA Cc1cc(CS(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)on1 333717575 QWKCIOHQCMTTGU-UHFFFAOYSA-N 344.795 2.664 0 50 EFAA O=C(Nc1ncc(C2CCOCC2)s1)N1CCC[C@@]12CCOC2 455790925 OAPPSDGXEOKHOK-INIZCTEOSA-N 337.445 2.824 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc2c1CCC2 263207677 ZGZNLCFUMXGCRC-SFHVURJKSA-N 337.375 2.666 0 50 EFAA COc1ccc(OC)c(CCNC[C@@H](O)COc2cccc(C)c2)c1 71767441 WZOXYBYAZGNOQZ-QGZVFWFLSA-N 345.439 2.584 0 50 EFAA CO[C@@H](C(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccccc1 174094663 PPTBBWUQAHADRH-QGZVFWFLSA-N 339.395 2.933 0 50 EFAA CNC(=O)c1ccc(CNc2cc(C(C)C)nc3cc(C)nn23)o1 72440535 VIXJHNSIHBCLDJ-UHFFFAOYSA-N 327.388 2.726 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCCCc1nc(C)cs1)C2 76142294 ONWOOKITMICGGW-AWEZNQCLSA-N 346.452 2.760 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(C/C=C/c3ccccc3)C2)nn1 285569270 RWTUKSGTSMYDDV-ZAOIQFLMSA-N 326.444 2.856 0 50 EFAA Cn1ccc(NC(=S)N2CCN(Cc3ccccc3Cl)CC2)n1 17072645 IFDSBZIMTCEBMD-UHFFFAOYSA-N 349.891 2.588 0 50 EFAA CCn1cc(C(=O)Nc2ncc(COC)s2)c(C(F)(F)F)n1 287106586 VPDNNWIAWBXHAX-UHFFFAOYSA-N 334.323 2.777 0 50 EFAA O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCS[C@H]2CCCC[C@@H]21 176236341 WCTKWUASOMXACW-QWRGUYRKSA-N 346.374 2.894 0 50 EFAA CN(C)CCOc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)cc1 190378694 YLJQPKQOPGZDGA-UHFFFAOYSA-N 342.443 2.871 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCCc2nc3c(C)cccc3[nH]2)n1 221437523 GMCYHOZCEWIAAI-UHFFFAOYSA-N 339.443 2.824 0 50 EFAA CN(Cc1nn(C)c(Cl)c1Cl)S(=O)(=O)c1cccs1 20608094 YXXYEFLDKRAPBM-UHFFFAOYSA-N 340.257 2.609 0 50 EFAA Cc1nc(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)n[nH]1 80410457 PDKXRVIHYXNIJS-UHFFFAOYSA-N 326.331 2.937 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)NC(C)(C)CN1CCCCC1 426411169 CEYYRUVQVXHFAD-UHFFFAOYSA-N 348.491 2.959 0 50 EFAA Cc1ccc(S(=O)(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cc1 91644664 GXGYAMGTZGEYNJ-GOSISDBHSA-N 345.464 2.741 0 50 EFAA CCc1cc(C(=O)NCCOc2cccc3ccc(C)nc23)no1 97370493 SSPSRZOSNIUPNX-UHFFFAOYSA-N 325.368 2.902 0 50 EFAA Cc1ccc2nc([C@@H](NC(=O)NCC3CCNCC3)C(C)C)[nH]c2c1 426701509 XWTSMIWDWAYPJL-KRWDZBQOSA-N 343.475 2.867 0 50 EFAA Fc1cccc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)c1 96166916 KSYQGGSCRYLJQI-UHFFFAOYSA-N 349.413 3.000 0 50 EFAA CSCc1nc(CNC(=O)c2cn3cc(C)ccc3n2)cs1 91725182 AXOSDRNTPJCHFV-UHFFFAOYSA-N 332.454 2.892 0 50 EFAA CCn1nc(C)c(CC(=O)N2Cc3ccccc3OC[C@@H]2C)c1C 292968909 ZRBJZIDTQUFBKN-ZDUSSCGKSA-N 327.428 2.872 0 50 EFAA CN(Cc1ccsc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23380303 PNOLLSQUMOHEDA-MSOLQXFVSA-N 328.481 2.917 0 50 EFAA CN(C)[C@H](C(=O)NCCSc1ccccn1)c1ccccc1F 91425266 IVMFUHKJSFXIDK-INIZCTEOSA-N 333.432 2.732 0 50 EFAA O=C1N[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 97732899 KJZKHTOROLQARY-ZBFHGGJFSA-N 342.830 2.507 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)COc2c(C)ccc(C)c2C)C1 91645172 XCCOYPCMSQSBCP-FQEVSTJZSA-N 349.471 2.628 0 50 EFAA COCCn1cncc1CN1C[C@@](C)(c2ccccc2)CCC1=O 91391145 NPSVQLGECPSOFG-IBGZPJMESA-N 327.428 2.610 0 50 EFAA COc1cccc(-n2cc(CN(C)CCn3cc(Cl)cn3)cn2)c1 244898954 ZEOKAJJNUVMVSU-UHFFFAOYSA-N 345.834 2.863 0 50 EFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc2ccccc2[nH]1 240662370 PKLZEEAJMSDLPF-QGPMSJSTSA-N 335.407 2.675 0 50 EFAA CC(C)(C)c1ccc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 181533569 BHPHNSBRNIKDEZ-HNNXBMFYSA-N 343.471 2.794 0 50 EFAA CCN(CCS(C)(=O)=O)C(=O)Nc1c(F)cc(Cl)cc1F 182928134 CIPRIZMUZZLTCP-UHFFFAOYSA-N 340.779 2.517 0 50 EFAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299746260 WECOFTLWPRCBGP-AWEZNQCLSA-N 325.416 2.666 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccn(C2CCCC2)n1 299746533 YAIPKCSBBKDAEF-KCXAZCMYSA-N 331.416 2.856 0 50 EFAA Cc1ccc(CN2CCC(CNC(=O)CCc3cccnc3)CC2)o1 299799141 QSTRLNNEEYEZDT-UHFFFAOYSA-N 341.455 2.944 0 50 EFAA Cc1ccc(CC2(NC(=O)CCc3c(C)nc(O)nc3C)CC2)cc1 299772956 CCNPLCKWHRGFLI-UHFFFAOYSA-N 339.439 2.932 0 50 EFAA O=C(CCN1CCCCC1=O)Nc1ccc(OC[C@H]2CCCO2)cc1 828057159 FGKSLIJOPLYDBG-QGZVFWFLSA-N 346.427 2.586 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(Cn2cccn2)o1 584884123 HEKJCDPNJGJJEN-MRXNPFEDSA-N 337.379 2.600 0 50 EFAA CC1(C)[C@H]2CC=C(CCNC(=O)[C@@H]3CCCN3C3CCNCC3)[C@@H]1C2 584894968 KSYFHEWYPUYAAN-WDSOQIARSA-N 345.531 2.702 0 50 EFAA Cc1nn2c(CN[C@H]3CCO[C@]4(CCSC4)C3)c(C)nc2s1 271243465 VDYPDFLRBYNRHK-SWLSCSKDSA-N 338.502 2.552 0 50 EFAA CC(C)O[C@@H]1C[C@H](NC(=O)NCc2cn3ccccc3n2)C1(C)C 274253939 YDCHMWDMHNCTIM-LSDHHAIUSA-N 330.432 2.726 0 50 EFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1cccn1C 275541988 SOUKSZZOHLWPEB-HOCLYGCPSA-N 336.480 2.834 0 50 EFAA CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 275569347 GEIWLGNMVJOCKA-KSZLIROESA-N 330.476 2.734 0 50 EFAA O[C@H](CNc1cncc(-n2cccn2)n1)c1cccc(C(F)(F)F)c1 169981754 AOPLHFZICQQPCE-CYBMUJFWSA-N 349.316 2.827 0 50 EFAA C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)c1nnnn1C1CC1 170611978 JTGJPDNSLYOFIE-SECBINFHSA-N 349.826 2.610 0 50 EFAA Cc1ccc(Cc2nnn(Cc3nnc(Cc4ccccc4)o3)n2)cc1 170606284 KCEOFJIRAQOSOQ-UHFFFAOYSA-N 346.394 2.594 0 50 EFAA Cc1coc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 188368196 DJHZAZHPEWVQIU-CQSZACIVSA-N 336.388 2.814 0 50 EFAA CNC(=O)CCCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 189076238 PJJNHJYXQZAJCA-UHFFFAOYSA-N 328.815 2.741 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)cn12 189265341 WADXAYKYOXBWGO-UHFFFAOYSA-N 349.394 2.529 0 50 EFAA CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C(=O)O)cn1 190649667 WLIOJMHJZJRTMT-BMIGLBTASA-N 348.786 2.939 0 50 EFAA CC[C@]1(C)CN(C(=O)NCc2ncc(-c3ccccc3)cn2)CCO1 190838572 ONDHYDRODOQIRQ-LJQANCHMSA-N 340.427 2.854 0 50 EFAA CC(C)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1nnnn1C1CC1 190841000 FBTXQXPZWLCOKN-OLZOCXBDSA-N 342.447 2.809 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]1CCCOC1 194429199 QFMABTJJHZVOPX-AWEZNQCLSA-N 331.391 2.785 0 50 EFAA CC(C)c1nc(N(C)C)nc(N2C[C@H](C)OC3(CCCCC3)C2)n1 656229882 GVIAZXBVAWLKPO-AWEZNQCLSA-N 333.480 2.989 0 50 EFAA O=C(NCC(F)(F)c1cccc(F)c1)[C@H]1NCCc2ccccc21 662853923 KDCNHSDHQAOUBK-INIZCTEOSA-N 334.341 2.921 0 50 EFAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C1(c2ccccc2F)CC1 1615740349 VZPCDSQUWAECRU-YJBOKZPZSA-N 340.398 2.626 0 50 EFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC[C@H]2C)ccc1F 1704313114 FUHLPCIJWUDRHW-SNVBAGLBSA-N 333.363 2.790 0 50 EFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 110632620 ZJEPVFQELLKNLA-KZNAEPCWSA-N 343.471 2.714 0 50 EFAA Cc1cc(N2CCC[C@@H](CC(N)=O)CC2)ncc1Br 671440640 NZFYTXGVRXIXAS-LLVKDONJSA-N 326.238 2.634 0 50 EFAA CCC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO 355337236 QFFAGZSWOTUFRN-JTQLQIEISA-N 330.222 2.798 0 50 EFAA CC(C)(C)CN1CCC[C@](O)(CNCc2cccc3[nH]ccc23)C1=O 12597276 UMQAWTREGYKHEX-FQEVSTJZSA-N 343.471 2.657 0 50 EFAA CN(C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1)C1CCOCC1 15071014 LZMZIHXWZNPRKM-HNNXBMFYSA-N 336.476 2.585 0 50 EFAA Cc1sc2ncc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2c1C 16626660 WYDGFBJITQHSFY-UHFFFAOYSA-N 347.827 2.956 0 50 EFAA CN(Cc1ccc2ccccc2n1)[C@@H]1CCOC2(CCNCC2)C1 1857680618 QKDDMNXVBVPUIJ-GOSISDBHSA-N 325.456 2.968 0 50 EFAA CCCn1nc(CC(N)=O)nc1[C@]1(c2ccccc2F)CC1(C)C 1857681029 ZSKYCGSYTHHOTD-GOSISDBHSA-N 330.407 2.571 0 50 EFAA CCCc1cnc(C)nc1N1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857683149 WQWQSJHVQSFSFB-ZDUSSCGKSA-N 329.423 2.987 0 50 EFAA COCC1(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CCC1 1857711252 PUKYLANMKDFSCZ-UHFFFAOYSA-N 339.439 2.821 0 50 EFAA COC(=O)c1[nH]c(C)cc1NC(=O)Cc1c[nH]c2ccc(OC)cc12 110745004 CNCKREXQEINVCG-UHFFFAOYSA-N 341.367 2.781 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CC[C@@H](Oc2ccccc2Cl)C1 120403133 AEDJPFGWSFPKEF-GFCCVEGCSA-N 342.786 2.905 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)o1 328615444 YKWNKTBHQDLYOB-PMPSAXMXSA-N 341.411 2.897 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(c2ccn[nH]2)CC1 125652963 AZPYDINBASMRCP-JKSUJKDBSA-N 325.412 2.928 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 332533632 SYGWXFCRNHMMPV-KRWDZBQOSA-N 335.469 2.605 0 50 EFAA COCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)s1 357149678 PXWSDXYGRRFTBX-ZDUSSCGKSA-N 348.472 2.576 0 50 EFAA CCn1c(C(=O)N2CCO[C@@]3(CCCOC3)C2)cc2ccccc21 358832093 AGEVDSSVYCLENX-IBGZPJMESA-N 328.412 2.683 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCN[C@H](c2cccnc2)C1 374379350 VZMORGADXNMKFA-HNNXBMFYSA-N 337.757 2.800 0 50 EFAA O=C(Nc1cccc(C2CC2)n1)N[C@H]1c2ccccc2OC[C@H]1CO 931550669 CSTOGPOFRBAELH-FZKQIMNGSA-N 339.395 2.823 0 50 EFAA O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(-c2cn[nH]c2)cn1 1296849390 JHBLWNPFXQZVIS-UHFFFAOYSA-N 331.379 2.926 0 50 EFAA CC[C@@H](SC)c1nc(-c2ccnc(N3CCC[C@@H](O)C3)c2)no1 952876739 VXZGJSVMPHSMBQ-CHWSQXEVSA-N 334.445 2.907 0 50 EFAA Cc1cc(CNC(=O)c2nn(C)c3c2C[C@@H](C)O[C@H]3C)ccc1F 1875301245 HABWGGMMGGRECN-NEPJUHHUSA-N 331.391 2.820 0 50 EFAA CN(CC1CC1)c1cc(C(=O)N2CC(C)(C)[C@@H](O)C2(C)C)ccn1 1875302168 CJFUMPWZVIVTHM-QGZVFWFLSA-N 331.460 2.549 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(C(=O)OCCC)cc2)CC1 1875365634 INCSDZMJRJTZGZ-UHFFFAOYSA-N 344.411 2.617 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccnn2[C@@H]2CC2(F)F)c2ccccc21 1875404623 OZOINQWHRKVGGG-QMTHXVAHSA-N 347.321 2.682 0 50 EFAA Nc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3F)no2)nn1 886080350 MYWMJRRJCSQFEB-CQSZACIVSA-N 340.362 2.585 0 50 EFAA CC(C)[C@@H]1N(C(=O)NCc2nnc3ccccn23)CC12CC=CC2 888094394 TYKGNWIXKVETCV-INIZCTEOSA-N 325.416 2.616 0 50 EFAA O=C(CCOC1CCOCC1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888825487 OWYNJDMTALRKNK-KXBFYZLASA-N 330.428 2.505 0 50 EFAA Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 1309136292 VIGJLEAQNOPPKJ-UHFFFAOYSA-N 348.449 2.734 0 50 EFAA CO[C@H](CS(=O)(=O)Nc1c[nH]c2nccc-2c1C)C1CCCC1 1775986776 XEJGFKPUTBWVPL-OAHLLOKOSA-N 337.445 2.770 0 50 EFAA Cc1cccc(OCCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1C 1775961100 PSOAQTLFDADZNO-CQSZACIVSA-N 328.416 2.511 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(C)c1 4163130 RRVUHPLLPACMLK-OAHLLOKOSA-N 334.441 2.919 0 50 EFAA C[C@H]1CC[C@H](CN)CN1C(=O)CCc1ncc(-c2ccccc2F)o1 2325786383 HKEGLFUYDUXPAA-UONOGXRCSA-N 345.418 2.999 0 50 EFAA O=C(O)[C@@H](CNC(=O)N1Cc2ccccc2C1)Cc1ccc(F)cc1 2325790548 SWPYUGYBSFKURS-MRXNPFEDSA-N 342.370 2.794 0 50 EFAA CC1(C)C[C@@H](CC(=O)O)CN1C(=O)c1cccc(Cn2ccnc2)c1 2325799325 NBMJHGYWABSQRE-OAHLLOKOSA-N 341.411 2.647 0 50 EFAA CC(C)c1nccn1CCNC(=O)c1ccc2n[nH]cc2c1Cl 2325805637 YVOOWVURPBELMG-UHFFFAOYSA-N 331.807 2.966 0 50 EFAA Cn1ncc(C(=O)N[C@H]2C[C@H](O)c3ccccc32)c1Cc1ccccc1 2325840564 GKVGGZODKLOINP-ICSRJNTNSA-N 347.418 2.919 0 50 EFAA CN(Cc1ccc([S@@](C)=O)cc1)C1=NC[C@@H](c2ccccc2)N1 2325863562 NYEFPFHSPRZENU-GAJHUEQPSA-N 327.453 2.556 0 50 EFAA Cc1oc2c(c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)CCCC2 36845 ZFEVXQOLLSVJSI-HNNXBMFYSA-N 327.380 2.893 0 50 EFAA Cn1ccc(N2CCC[C@H](Sc3nc4ccccc4o3)C2=O)n1 133183217 UVAVEVFTVHRCPI-ZDUSSCGKSA-N 328.397 2.849 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc3oc(C)cc3c2)C[C@@H]1O 2356136096 GPEWUWJSDPSNNG-LPHOPBHVSA-N 345.395 2.819 0 50 EFAA Cc1nc(C(=O)N=c2nc(SCc3ccccc3)s[nH]2)co1 2356152547 OWUFWBLQPSNIQZ-UHFFFAOYSA-N 332.410 2.801 0 50 EFAA COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc(OC)ccn1 225725736 YAPKLPZCEMOYJG-IRXDYDNUSA-N 340.379 2.609 0 50 EFAA CCN(CC1CC1)C(=O)c1nnn(-c2cccc3cccnc23)c1C 112181630 MIBJCZMJAWZPJO-UHFFFAOYSA-N 335.411 2.996 0 50 EFAA O=c1[nH]c(=O)n(Cc2ccccc2)c2nccc(-c3ccc(F)cc3)c12 9576226 KKGHMSSHUHAXRW-UHFFFAOYSA-N 347.349 2.939 0 50 EFAA COc1cccc(C[C@H]2CN(Cc3nc(C)c(C)nc3C)CCO2)c1 20323756 YWDQQXPCQSXZKX-IBGZPJMESA-N 341.455 2.854 0 50 EFAA C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 20486343 IUYLKGSQCPUSIP-JTQLQIEISA-N 330.837 2.584 0 50 EFAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 22237531 MVGSELCNZGESIL-UHFFFAOYSA-N 338.392 2.865 0 50 EFAA CS[C@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 247508514 VMRMMKYAVQNYRD-WBVHZDCISA-N 344.484 2.609 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@H](C)n1cnc2ccccc21 65433247 YVOQUGYOYZTOIV-NSHDSACASA-N 329.429 2.889 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nn1 65361981 USWAATFDXPHMIY-UHFFFAOYSA-N 329.379 2.587 0 50 EFAA COCC(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67833500 GUGSSLBNVPUUOG-UHFFFAOYSA-N 340.358 2.540 0 50 EFAA CN(Cc1cccnc1Cl)C(=O)c1ccc(-c2nc[nH]n2)cc1 67846679 SOZPBQJQQCXXQZ-UHFFFAOYSA-N 327.775 2.792 0 50 EFAA O=C(Cc1nc(-c2ccccc2)n[nH]1)N1CCC[C@@H]1c1ccccn1 20206174 FRVYVUCVBZSBDC-MRXNPFEDSA-N 333.395 2.773 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O 65371257 WYAIKHBZEJCVCE-LBPRGKRZSA-N 336.413 2.713 0 50 EFAA CCn1ccnc1CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@H]1C 252474804 MPSWEJRJVAMXSP-OAHLLOKOSA-N 345.491 2.895 0 50 EFAA COc1ccc(CNC2(CN3CCOCC3)CCCCC2)cc1OC 32516106 UBBXWFJJOFKSBE-UHFFFAOYSA-N 348.487 2.829 0 50 EFAA CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252584392 ADYXYZINHWOFKN-NILFDRSVSA-N 335.448 2.572 0 50 EFAA C[C@H]1C[C@H](CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H](C)O1 281296130 SYTKENPVYBMOFO-KYZVSKTDSA-N 334.435 2.939 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1C 230900007 PSOLLKSAGKHELL-RKDXNWHRSA-N 345.180 2.725 0 50 EFAA Cc1ccccc1Cn1cc(NC(=O)c2nn(C)cc2Cl)cn1 2755736 XTNQMRODFQPLFA-UHFFFAOYSA-N 329.791 2.879 0 50 EFAA Cc1nn(C)cc1S(=O)(=O)N[C@H](C)c1cccc(-n2cccc2)c1 2804716 BHMSRZBYAGCTOE-CYBMUJFWSA-N 344.440 2.559 0 50 EFAA C[C@@H](c1ccc(-c2nccn2CCN2CCOCC2)cc1)N(C)C 71721511 NJRNMRMJOZMHFW-INIZCTEOSA-N 328.460 2.505 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1 328610001 GJZFUHHCDGBFKZ-DXWDOBMASA-N 327.384 2.772 0 50 EFAA Cn1ncc(C(=O)N[C@@H](CO)c2ccsc2)c1Cc1ccccc1 356291708 OURSNHBMPMKEKT-INIZCTEOSA-N 341.436 2.536 0 50 EFAA COc1ccnc(CN2CCC3(CC2)C(=O)N(C)c2ccccc23)c1 72164763 XIOYSINXHNCWRN-UHFFFAOYSA-N 337.423 2.600 0 50 EFAA COC(=O)c1cc(C)sc1NC(=S)N1C[C@@H](C)O[C@H](C)C1 8300954 ZAUMVTSXLQZEDZ-RKDXNWHRSA-N 328.459 2.649 0 50 EFAA Cn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncnc2cc(F)c(F)cc12 357974156 MWGATJOFTMMDBW-ZFWWWQNUSA-N 345.353 2.974 0 50 EFAA COc1ccc(/C=C/CN2CCCC[C@@H]2CN2CCOCC2)cc1 77322884 RKSYIBDCFITASG-VZSQWMKGSA-N 330.472 2.895 0 50 EFAA C[C@H]1COc2ccccc2N1C(=O)Cn1cnc(-c2ccccc2)n1 153426144 FJTTWULMWMDOBI-AWEZNQCLSA-N 334.379 2.759 0 50 EFAA CCCS(=O)(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 15076105 PRFRSTATTMZQMO-INIZCTEOSA-N 345.892 2.697 0 50 EFAA CC(C)n1ccnc1CN1CCC2(CC1)c1ccccc1C[C@H]2O 72122492 KYBSUDCJJGIUOZ-GOSISDBHSA-N 325.456 2.915 0 50 EFAA COC[C@@H]1CCCN(CCNC(=O)Cc2cccc3ccccc23)C1 239672618 BUEWWBNQLCWKCY-QGZVFWFLSA-N 340.467 2.857 0 50 EFAA COc1ccccc1N1CCC(N2CCO[C@@H](C(F)(F)F)C2)CC1 71762157 JJOZIRJOHDUTQP-MRXNPFEDSA-N 344.377 2.927 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)N1CCCC[C@@H]1c1ccccn1 72410748 LFKWMHLXCUYZFV-OAHLLOKOSA-N 337.379 2.743 0 50 EFAA O=C(CCn1nnc2ccccc21)N1CCCC[C@@H]1c1ccccn1 72434823 GDLCHUPEDUDRCV-QGZVFWFLSA-N 335.411 2.970 0 50 EFAA CNC1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 237096966 YKGCCQODSKUQOK-UHFFFAOYSA-N 347.278 2.652 0 50 EFAA CN1Cc2ccccc2[C@@H](NC(=O)c2cc3nccnc3cc2F)C1 370490315 GWEXJXIIBBPCSQ-SFHVURJKSA-N 336.370 2.685 0 50 EFAA CCn1ncc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c1C 39394465 RUPPHAWLJWGPBA-HXUWFJFHSA-N 348.535 2.660 0 50 EFAA O=C(CCn1nnc2ccccc21)N1CC[C@@H](c2ccccc2F)C1 77506194 TZCOWWZVSMSCGI-CQSZACIVSA-N 338.386 2.977 0 50 EFAA CCc1c(C(=O)N2CCc3c(ncnc3N(C)C)C2)[nH]c2ccccc12 71763519 NRUUGRBJXPKOFK-UHFFFAOYSA-N 349.438 2.785 0 50 EFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1 237537972 CVNPSOAQVCOLSG-HOCLYGCPSA-N 330.453 2.854 0 50 EFAA Cc1noc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c12 77299109 HIWPOEHTBGGKRF-UHFFFAOYSA-N 343.818 2.902 0 50 EFAA COc1ccc(OC)c(CCC(=O)N2CCC[C@]3(CCOC3)C2)c1 456708074 GNALELUZINMOEL-IBGZPJMESA-N 333.428 2.666 0 50 EFAA CC(C)(C)c1ccccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 262965594 OFXVYBNRGOSFBT-HNNXBMFYSA-N 333.428 2.841 0 50 EFAA OCc1ccc(-c2nccn2Cc2nc(-c3ccccc3F)no2)o1 77375472 QYILJQSHMATWRW-UHFFFAOYSA-N 340.314 2.873 0 50 EFAA CCCn1ncc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1C 223497778 YUCIAQSBCFMXRV-RANZSIQMSA-N 331.460 2.925 0 50 EFAA O=C1C[C@]2(CCN(Cc3ccc(-c4ccccc4)s3)C2)C(=O)N1 82135009 BQHIRDATTHDMNX-SFHVURJKSA-N 326.421 2.654 0 50 EFAA Cc1cccc2c1OC[C@@H](NCc1cn(C)nc1-c1ccncc1)C2 289612793 OGTRKIIXDYWNNQ-SFHVURJKSA-N 334.423 2.884 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1 82156350 QDZROZUBYFBQFA-MRXNPFEDSA-N 340.427 2.732 0 50 EFAA COc1ccc(F)c(F)c1CN1CCC(Cc2nncn2C)CC1 82097174 XAPJPIHYLLTJOB-UHFFFAOYSA-N 336.386 2.557 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)NCCOc1ccccc1 426716818 FGPLSRZVLWTFOR-UHFFFAOYSA-N 329.400 2.774 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2ccccc2C(C)=O)C1 82148562 YLHBBVPUSZOVAW-UHFFFAOYSA-N 325.364 2.801 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)ccc1F 96148584 ARRICIMQRJBCRC-OAHLLOKOSA-N 335.423 2.710 0 50 EFAA Cc1nc([C@H](C)NC(=O)N(CCCO)Cc2cccnc2)c(C)s1 426738971 CIRAZYMKTBNPQI-LBPRGKRZSA-N 348.472 2.810 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)n1 91664329 RQWYUQJUWVWAGN-NSHDSACASA-N 340.383 2.601 0 50 EFAA Cc1c[nH]c(CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 92045886 NGDZNMCONDLXHR-UHFFFAOYSA-N 330.476 2.865 0 50 EFAA CCc1ocnc1C(=O)N[C@@H](c1cc(F)ccc1OC)[C@H]1C[C@@H](O)C1 244899473 ZKLUNESAHCRKCQ-RSAASHCRSA-N 348.374 2.627 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1CC[C@H](c2ccccc2)C1 244608543 FEJXUMZRCQKAJD-SFHVURJKSA-N 340.471 2.517 0 50 EFAA 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2.727 0 50 EFAA O[C@@H]1CCCC[C@H]1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 222006852 QMSDFOYTDUYNFP-BZUAXINKSA-N 327.371 2.965 0 50 EFAA CN(C)c1nc2cc(NC(=O)c3[nH]nc4c3CCCC4)ccc2o1 164227550 JNGMJNSXXUWANZ-UHFFFAOYSA-N 325.372 2.748 0 50 EFAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 277596154 AKMIUWBIEHJSPU-DOTOQJQBSA-N 341.411 2.651 0 50 EFAA C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1)c1cccnc1 186603394 URRPVHQBVOWWBC-LPHOPBHVSA-N 338.455 2.751 0 50 EFAA O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cn2ccnc2s1 188540099 UERRNCPRMGYNIN-ZDUSSCGKSA-N 329.381 2.816 0 50 EFAA COc1ccc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1OC 643821660 ZYRCWEHQKQDGIE-KBXCAEBGSA-N 331.416 2.684 0 50 EFAA CCn1cc(CN2CCCN(Cc3cccc(OC)c3F)CC2)cn1 192951188 BKMIYJDXSFUXHO-UHFFFAOYSA-N 346.450 2.759 0 50 EFAA C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)C1 653284878 XKYSLRXGJKTHPD-YYAJDYIMSA-N 334.460 2.661 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC(c2ccnn2C)CC1 667575836 WCXGNTDYFNNLLQ-FUHWJXTLSA-N 343.475 2.501 0 50 EFAA COc1ccc2cc(CNCCCc3csc(N)n3)c(O)nc2c1 1506404993 SXYKFEWHLUDUPP-UHFFFAOYSA-N 344.440 2.710 0 50 EFAA CCc1nn(C)c(NC(=O)Cn2c(C)cc(=O)c3ccccc32)c1C 1529184745 GQOHIKDLEFPEDJ-UHFFFAOYSA-N 338.411 2.553 0 50 EFAA Cc1ncc(CN(CCO)C(=O)CCCc2ccc(Cl)cc2)[nH]1 1704332134 PODHICSSGDWLEY-UHFFFAOYSA-N 335.835 2.715 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cccc4nonc34)C1)CC2 1704313214 HDUPAJGCVJAKJL-IBGZPJMESA-N 335.411 2.801 0 50 EFAA Cc1nc(N2CCCC2)nc(NC[C@@H](CO)Cc2ccco2)c1C 1704299170 NDDVRUMCSZGGCX-HNNXBMFYSA-N 330.432 2.550 0 50 EFAA COc1nc(NCC2(c3cccc(F)c3)CCOCC2)ncc1F 1772700859 IEVDBFYXEUJJCP-UHFFFAOYSA-N 335.354 2.924 0 50 EFAA CCCN(Cc1cccc(OCC)c1)Cc1cnc(C(=O)O)cn1 1772701643 NKHYAXNEUOPWAI-UHFFFAOYSA-N 329.400 2.986 0 50 EFAA Cn1ncc2c(Nc3ccc(NC(=O)c4ccco4)cc3)ncnc21 5346773 JWLBDNDGWIGWRY-UHFFFAOYSA-N 334.339 2.952 0 50 EFAA O[C@H](CNC[C@@H]1COc2ccccc2O1)COc1ccccc1Cl 5685434 UZEMNULQSDGRJD-ZIAGYGMSSA-N 349.814 2.509 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nnsc2c1 11692751 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349.434 2.840 0 50 EFAA CCn1nc(C2CC2)cc1C(=O)N1CCC(=O)N(C)c2ccccc21 906754253 XZUUPTJLLBIHST-UHFFFAOYSA-N 338.411 2.794 0 50 EFAA O=C(O)CCCCCCNC(=O)CCc1nc2cccc(F)c2[nH]1 827823007 DFIKHORTHHDEKU-UHFFFAOYSA-N 335.379 2.786 0 50 EFAA COc1ccc(CC2CCN(Cc3n[nH]c4c3COCC4)CC2)cc1 929430585 AWOMKUFKIJDMOJ-UHFFFAOYSA-N 341.455 2.946 0 50 EFAA Cc1cn2ccc(NC(=O)N3CCC(c4ccn(C)n4)CC3)cc2n1 931973330 WYOZZLNBOVSJKN-UHFFFAOYSA-N 338.415 2.788 0 50 EFAA O=C1NCC2(CCOCC2)[C@H]1NCc1cc(Cl)cc2ccccc12 933036817 UMUUFQHSBQCQDZ-KRWDZBQOSA-N 344.842 2.878 0 50 EFAA CC(C)Cn1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1=O 935795241 OAKDSLVOOJUPIP-KRWDZBQOSA-N 342.443 2.605 0 50 EFAA CCc1nc2c(C(=O)N3CCCC[C@@H]3c3cncn3C)ccnc2[nH]1 936024061 WGRJKHRILGAHPP-CYBMUJFWSA-N 338.415 2.621 0 50 EFAA CN1C[C@H](NC(=O)c2coc(C3CCC3)n2)CC[C@@H]1C(F)(F)F 952752427 LEMUVMJEKKEVSL-ZYHUDNBSSA-N 331.338 2.697 0 50 EFAA CCOC(=O)c1c(C(F)(F)F)csc1NC(=O)c1ccnn1C 952884945 UJUDRAYIMDHIPR-UHFFFAOYSA-N 347.318 2.929 0 50 EFAA 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329.444 2.567 0 50 EFAA Cc1nnc(SCc2nc(C3CC3)nn2-c2ncccc2C)o1 65395802 ODDFYRVKAAONDX-UHFFFAOYSA-N 328.401 2.832 0 50 EFAA O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843364 KRHLIRQSKQGLJH-CQSZACIVSA-N 330.359 2.587 0 50 EFAA CC(C)Cc1cn(C2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)nn1 65396947 XLOJSETZAZBVID-HNNXBMFYSA-N 348.491 2.845 0 50 EFAA CC(C)c1noc(-c2ccc(NCCN3CCCCC3=O)nc2)n1 39485459 TUCNXNIGTHJVNM-UHFFFAOYSA-N 329.404 2.679 0 50 EFAA CC1(C)[C@H](NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)[C@@H]2CCO[C@H]21 230137544 NAYFEOXWSMRFOM-USXIJHARSA-N 340.427 2.689 0 50 EFAA COc1ccc([C@H](C)CN2CCO[C@](C)(c3cnn(C)c3)C2)cc1 230129710 WSMPWEQGGDYYFB-BEFAXECRSA-N 329.444 2.780 0 50 EFAA C[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C[C@H](c2ccsc2)O1 363899927 OOUKFWZBMIJJGU-DJSGYFEHSA-N 346.456 2.500 0 50 EFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncc(C(=N)O)cc2Cl)cn1 328629651 PBNYXYVLQXVNNP-YPMHNXCESA-N 348.794 2.624 0 50 EFAA O=C(O)c1ccccc1CN1CCC[C@H](OCc2ccccn2)C1 215223589 QMWUHJBONUHHBB-KRWDZBQOSA-N 326.396 2.961 0 50 EFAA COC(=O)c1cc(C(C)(C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)no1 253432074 WERNMEQWMZTRSU-GFCCVEGCSA-N 346.383 2.588 0 50 EFAA CC(C)Cc1noc(CN(C)C(=O)c2ccccc2[C@@H]2CCNC2)n1 72171294 LATKNTOBZCWSQA-CQSZACIVSA-N 342.443 2.617 0 50 EFAA CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 332277804 XTGRNADIKSAKHS-DGCLKSJQSA-N 337.489 2.563 0 50 EFAA CCC(=O)C(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 71774537 HIHGIRUTMZJQMQ-GOSISDBHSA-N 327.380 2.727 0 50 EFAA CCc1nc(C)c(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)[nH]1 39406680 OXQVEPRNOJEWPL-GOSISDBHSA-N 348.535 2.729 0 50 EFAA COc1ccc(-n2cccn2)c(CN(C)Cc2nc(C3CC3)no2)c1 215106355 VYCDLGHMDXIIQN-UHFFFAOYSA-N 339.399 2.773 0 50 EFAA COc1ccc(CNC[C@H]2CCCN2C)cc1OCc1cccnc1 237202624 RZWZKIKTFNOYIH-GOSISDBHSA-N 341.455 2.853 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NC[C@H](O)c3cccnc3)c2c1 77555172 OCFVNGNBXVLJAR-IBGZPJMESA-N 335.407 2.964 0 50 EFAA Cc1sc(NC(=O)CN[C@@](C)(C(N)=O)c2ccccc2)c(C)c1C 173272761 LOFOWGRGARDCFC-GOSISDBHSA-N 345.468 2.602 0 50 EFAA O=C(Cc1ccc(Cl)s1)N1CCC(Nc2cccnn2)CC1 283329262 OGIWAHFDKSWHRK-UHFFFAOYSA-N 336.848 2.837 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3cccnc3)C2)c1 77506156 RBGKJCQRZMADEA-HNNXBMFYSA-N 326.396 2.657 0 50 EFAA Cc1noc([C@@H]2CN(C(=O)c3cc(C)c(Cl)cc3C)CCN2C)n1 285031365 VOXBTZLTAJCUJA-HNNXBMFYSA-N 348.834 2.777 0 50 EFAA NC(=O)COc1ccc(Cl)cc1-c1nccn1C[C@@H]1CCCCO1 71765342 UBPYGCSCXRGALS-ZDUSSCGKSA-N 349.818 2.637 0 50 EFAA Cc1cc(NC(=O)NC2CCC(C(=O)O)CC2)nn1[C@@H](C)C1CC1 263085256 RSLCPKACVXUCGS-XGNXJENSSA-N 334.420 2.927 0 50 EFAA Cn1cnnc1C1CCN(C(=O)Cc2cccc(Cl)c2F)CC1 290163954 OXXZBJQTUDBSMF-UHFFFAOYSA-N 336.798 2.556 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1nnc2n1CCCC2 41139842 CXXTVYQZOYKQJP-UHFFFAOYSA-N 328.460 2.837 0 50 EFAA CCN(C(=O)NCc1ccoc1)[C@H]1CCN(c2ccccc2)C1=O 176451635 BSQOIMMNCBHVKV-INIZCTEOSA-N 327.384 2.617 0 50 EFAA C[C@H](c1ccc(-c2nnc(C(=O)N(C)C)[nH]2)cc1)N1CCCCC1 426504087 UIMDDZJAXISJNV-CYBMUJFWSA-N 327.432 2.720 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CCCCCN1C 91625538 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Cc1cnc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cn1 95386969 JOTBPIAZPPEHPC-HNNXBMFYSA-N 325.368 2.503 0 50 EFAA COCCC[C@@]1(CO)CCCN(C(=O)NCC2CCCCC2)C1 91807441 KWPHXLMHJYEJAN-SFHVURJKSA-N 326.481 2.777 0 50 EFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)N1CCCC1)CC2 97654072 KLZOYQRIIYABFJ-QGZVFWFLSA-N 341.455 2.683 0 50 EFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 92001846 DTGAFMDUWCWUTN-DLBZAZTESA-N 330.476 2.516 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)N[C@H]1C=CS(=O)(=O)C1 96152974 LWEUYKLHLWPZIT-JTQLQIEISA-N 344.820 2.561 0 50 EFAA COc1ccc([C@@H](C)CN2CCN(C(=O)c3ccco3)CC2)cc1 183466761 NPRXZVFPAYHORM-HNNXBMFYSA-N 328.412 2.850 0 50 EFAA CNC[C@H]1CCN(C(=O)c2ccccc2-c2nc(C(C)C)no2)C1 299738924 IPFSEMRLCCAJEN-CYBMUJFWSA-N 328.416 2.542 0 50 EFAA Cc1cnn(CCC(=O)NC[C@@H]2CCN(Cc3ccccc3C)C2)c1 299774266 FQJYDKOGHZPIDO-SFHVURJKSA-N 340.471 2.528 0 50 EFAA CC(=O)c1cc(CC(=O)NC[C@H]2Cc3ccccc3CN2C)cs1 299784751 HZIKHPPVUDGFGB-QGZVFWFLSA-N 342.464 2.666 0 50 EFAA O=C(NCc1nncn1C1CCCCC1)c1ccc2nccnc2c1 828168634 FHYJJBAUTPAVPG-UHFFFAOYSA-N 336.399 2.657 0 50 EFAA Nc1n[nH]c(C(=O)NCCOc2ccccc2F)c1-c1ccccc1 826626523 FZRJQLJWYWCHKE-UHFFFAOYSA-N 340.358 2.607 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1C 826584920 GDBKZDPKPNWYNZ-MRXNPFEDSA-N 329.375 2.815 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1cncc(O)c1 241338510 MBJRLEZKEFYUFV-QWHZDKJVSA-N 339.439 2.674 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)Cc1c(C)noc1C 952991274 MUCLEGQQJVIATC-UHFFFAOYSA-N 342.355 2.840 0 50 EFAA CCOc1ccccc1/C=C/C(=O)N(CCC(=O)O)C1CCOCC1 408513334 SGFZKLAAYFAUQG-BQYQJAHWSA-N 347.411 2.581 0 50 EFAA CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCF 408515540 LJFWGBWWGQLTDW-CABZTGNLSA-N 333.201 2.794 0 50 EFAA CCOCN(C(=O)CN1C[C@@H](C)O[C@H](C)C1)c1c(C)cccc1CC 170598205 HRIXVGKHJRYXAG-IAGOWNOFSA-N 348.487 2.994 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)sc1C 271385337 SRJUQYQJJUGARZ-UHFFFAOYSA-N 325.459 2.656 0 50 EFAA C[C@@H]1C[C@H](C(=O)NCC2CCN(Cc3ccccc3)CC2)CCO1 271808298 AITHWGHZKNUQLQ-VQIMIIECSA-N 330.472 2.830 0 50 EFAA CN(C)C[C@H]1CCN(C(=O)Nc2cn(C)nc2-c2ccccc2)C1 275063609 KAYVUXXDTRZXAM-CQSZACIVSA-N 327.432 2.503 0 50 EFAA C[C@H](NC[C@@H](O)C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 300356271 JILBACHVPBFHFY-SDDRHHMPSA-N 340.386 2.535 0 50 EFAA COC[C@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccccc1 187702774 AWSIZIZZJOATEE-ROUUACIJSA-N 332.444 2.975 0 50 EFAA Cc1ccc(CNC(=O)NCc2ccco2)c(-n2cc(Cl)cn2)n1 188391510 NQGXJVDCQWOPSU-UHFFFAOYSA-N 345.790 2.822 0 50 EFAA CCc1nc2n(n1)C[C@H](N[C@H]1CCSc3ccc(OC)cc31)CC2 191529813 JZFWAMPTFVYXGO-DOMZBBRYSA-N 344.484 2.991 0 50 EFAA Cc1cc(CNc2ncnc3[nH]c(C)c(C)c23)nc(N2CCCC2)n1 645247256 FTJUDWHERRMRLB-UHFFFAOYSA-N 337.431 2.885 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1csc(Cl)c1)CC2 191756430 FJMCORKNWNDNLY-NEPJUHHUSA-N 329.849 2.794 0 50 EFAA C[C@@H](O)CNC(=O)NCc1ccc(OCc2ccccc2F)cc1 192553778 NDDJQRUAEZEEEB-CYBMUJFWSA-N 332.375 2.585 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)c1 675939953 PCLCVCHPSGTWPK-KRWDZBQOSA-N 339.395 2.576 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)NC(C)(C)CC(F)(F)F)cc1 781806197 IZQHIUIBIULOGI-UHFFFAOYSA-N 328.334 2.950 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1615735248 AQUUOZNFLKWDRD-HKUYNNGSSA-N 342.414 2.917 0 50 EFAA COc1nc(NCC2(c3ccccc3)CCN(C)CC2)ncc1F 1704312618 GRHRMPTURCQRKO-UHFFFAOYSA-N 330.407 2.700 0 50 EFAA COc1cc(CN2C[C@@H]3C[C@@]3(C)C2)cc(Cl)c1OCC(=O)O 1772817051 GJHCBHUPZTUFBS-ZBEGNZNMSA-N 325.792 2.654 0 50 EFAA CCCNC(=O)c1c(I)cnc(Cl)c1F 1775989055 BHGGXXPMAJGHBR-UHFFFAOYSA-N 342.539 2.619 0 50 EFAA CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 5059557 BUIKFTLVHSBYAQ-INIZCTEOSA-N 331.416 2.597 0 50 EFAA COc1ccc2c(O)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1 5729829 DJXHMHZLUGAFSE-UHFFFAOYSA-N 326.304 2.945 0 50 EFAA COC(=O)c1ccc(CN2CC[C@H](N3CCCCC3)CCC2=O)cc1 12329682 QCSFURKJIPTRTR-GOSISDBHSA-N 344.455 2.840 0 50 EFAA Nc1c(I)cc(Br)nc1Cl 35270449 HWLNYUGZLGKVKO-UHFFFAOYSA-N 333.354 2.684 0 50 EFAA in-vitro O=S(=O)(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 16513507 ANRLXOUBRLJDCD-OAHLLOKOSA-N 340.828 2.695 0 50 EFAA CCn1ccnc1CN1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857700773 HIQBNVAYBOWQRN-NSHGMRRFSA-N 325.456 2.861 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2ccn(CC)c(=O)c2)C[C@H](C(C)C)O1 1857716839 GYUHJVXQLUUBIV-IAGOWNOFSA-N 334.460 2.924 0 50 EFAA COc1c(C(=O)O)cc(-c2cc(C3CC3)ncn2)c(OC)c1OC 1875248556 XPUWGYBYLOUDQG-UHFFFAOYSA-N 330.340 2.745 0 50 EFAA Cc1ncc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 212858671 VVCXXWFRXBXQNI-UXHICEINSA-N 347.418 2.929 0 50 EFAA Cc1c(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1CC(C)C 331459657 AMLFRMABKNIKAA-AEFFLSMTSA-N 345.418 2.935 0 50 EFAA CNCC1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 237068790 XFKLTQNZRSQAEM-UHFFFAOYSA-N 332.835 2.802 0 50 EFAA O=C(NCc1ccsc1Br)NCC1CCOCC1 242087939 WALQXBQZTXLZLN-UHFFFAOYSA-N 333.251 2.736 0 50 EFAA CC[C@@H](C(N)=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 245381203 AUYIABLPGAOKSD-OCCSQVGLSA-N 348.834 2.833 0 50 EFAA COc1ncc(C)cc1NC(=O)N1CCC(c2nc(C)no2)CC1 266885608 BBWIQLPXOSJEBK-UHFFFAOYSA-N 331.376 2.502 0 50 EFAA C=CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1262555548 XHJFHTPYDUTQAE-SMDDNHRTSA-N 326.799 2.543 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)c2cccc3c2OCC3)C1 934541136 JCMVWUIWCNCVEU-HNNXBMFYSA-N 338.407 2.639 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)s1 843989032 USHAEVLPBVPOFR-SNVBAGLBSA-N 344.440 2.781 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2OC)C1 127210435 NZRIGMSLEPFYOL-NSHDSACASA-N 341.249 2.529 0 50 EFAA CC(C)(C(=O)N1CC(C)(C)[C@@H]1c1nccn1C1CC1)c1cnc[nH]1 952895322 UEAFOROTNQMZSF-AWEZNQCLSA-N 327.432 2.828 0 50 EFAA O=C(NCc1cccnc1)c1cccn1-c1ccc2c(c1)OCCO2 1875260507 KNZJMLUPDDIYME-UHFFFAOYSA-N 335.363 2.574 0 50 EFAA CC(C)[C@@H](C(=O)O)C(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 1875266675 BRPPXFKJKHNHPO-GXFFZTMASA-N 333.413 2.739 0 50 EFAA O=C(NCc1ccccc1Cn1cccn1)c1cc[nH]c2nccc1-2 1875307592 FNACOMCMGCYZID-UHFFFAOYSA-N 331.379 2.689 0 50 EFAA Cc1cc(C)[nH]c(=NC[C@H]2CCCN2C(=O)OCc2ccccc2)n1 1875345836 KCRWTQQCSRHHCO-QGZVFWFLSA-N 340.427 2.728 0 50 EFAA 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NC(=O)c1ccc(F)c(C(=O)NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1 2325784737 GRSUXOTZPZVRLE-YXJHDRRASA-N 338.382 2.630 0 50 EFAA CC(C)(C)c1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)CO3)cn1 2325788214 SWXNHDONZDNVPW-HNNXBMFYSA-N 332.444 2.835 0 50 EFAA Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)CCCn1cccn1 2325803426 GHLHDWOXFVLXEO-GOSISDBHSA-N 347.484 2.619 0 50 EFAA O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1ccc2c[nH]nc2c1 2325872484 ZUWPZFLITYXETF-QAQDUYKDSA-N 349.390 2.815 0 50 EFAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCC2)c1ccco1 127241 XUNFBSHXCYJLNE-UHFFFAOYSA-N 346.408 2.555 0 50 EFAA CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(OC)cc1 527485 GWYVRVNLSJODST-GLQYFDAESA-N 348.395 2.645 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2752196 VWKKPXAANGEFFM-UHFFFAOYSA-N 327.387 2.512 0 50 EFAA CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(O)c3)CC2=O)cc1 4603076 GTOAIUMMTGKMSD-CYBMUJFWSA-N 340.379 2.783 0 50 EFAA CCCCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 4850569 NFOPKJYHKMFYKU-UHFFFAOYSA-N 330.457 2.839 0 50 EFAA CCN(C/C=C/c1ccccc1)C(=O)Cc1nc(-c2cccnc2)n[nH]1 55393088 DZRFOAWEPNFWTA-JXMROGBWSA-N 347.422 2.971 0 50 EFAA Cc1ccnc(S[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)n1 100120769 IHQXZNYLVMXUOQ-AWEZNQCLSA-N 327.409 2.826 0 50 EFAA C[C@@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 59311858 XBOUTAHPIKQKHJ-LBPRGKRZSA-N 337.383 2.788 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC)c1 225445360 IEOKWWHXPFSAMQ-OIISXLGYSA-N 333.428 2.860 0 50 EFAA COCCN(C(=O)/C=C/c1cn(C)c2ccccc12)[C@H]1CCO[C@@H]1C 225617900 KDLNFZKTKCIRTM-LZMCZGSNSA-N 342.439 2.844 0 50 EFAA CCN(C/C=C/c1ccccc1)C(=O)c1cnc2ccccn2c1=O 55325396 YBVQSJCYVLXBPO-DHZHZOJOSA-N 333.391 2.870 0 50 EFAA Cc1cc(NCCN2CCC(O)CC2)nc2cc3c(cc12)CCC3 55152829 GXGFSPDKQFUTIF-UHFFFAOYSA-N 325.456 2.901 0 50 EFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)CCCn1nc(C)cc1C 55099165 LKYGASRPIYIGBE-SFHVURJKSA-N 345.443 2.965 0 50 EFAA COC[C@@H]1CN(C(=O)c2cnn(C3CCCCC3)c2C)CC(C)(C)O1 343756316 NCBDUCHDDLZOPJ-INIZCTEOSA-N 349.475 2.963 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@H]1C 246704157 XLRILPPSDCKFGB-SOLBZPMBSA-N 330.472 2.980 0 50 EFAA CCn1cnnc1CCNc1nc(-c2ccccc2)nc2c1CCC2 67947549 JOIKCUKKZQZVEL-UHFFFAOYSA-N 334.427 2.898 0 50 EFAA CC1=NO[C@](C)(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)O)c2)C1 65385804 JBMYJBOBPVLAHF-SFHVURJKSA-N 342.351 2.894 0 50 EFAA O=C(N1CCCC1)N1CCC[C@H](c2nc(-c3cscn3)no2)C1 350538240 AVLBOMYROGHMIS-NSHDSACASA-N 333.417 2.588 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)N[C@H]1CCO[C@H]1C1CC1 253428789 LQSIVMWSIVRTDT-RDJZCZTQSA-N 326.400 2.870 0 50 EFAA Cc1ccc2oc(SCC3(CS(C)(=O)=O)CCC3)nc2n1 329654354 LTWFPOIOTSOKBC-UHFFFAOYSA-N 326.443 2.838 0 50 EFAA Cc1ccc(Oc2ccc(CN3CCOCC3)c3cccnc23)nn1 67934436 PHAQDZTZNPATDI-UHFFFAOYSA-N 336.395 2.958 0 50 EFAA CCOC(=O)C1CCN([C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 23282277 OAPKAYKPBFVVIO-AWEZNQCLSA-N 335.444 2.910 0 50 EFAA COc1cccc(-c2cc(CN[C@H](C)C(=O)NC3CCCC3)on2)c1 65396029 QZZOJJCQJSYAJP-CYBMUJFWSA-N 343.427 2.887 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)NC[C@H](c1ccco1)N1CCCC1 65382517 QLHJFYLMJVCROT-MRXNPFEDSA-N 340.427 2.822 0 50 EFAA C[C@@H]1C[C@H]1c1ccc(CN(C(=O)N[C@H]2CCCCNC2=O)C2CC2)o1 252467572 SPMBJPCEFIBCJA-WQVCFCJDSA-N 345.443 2.746 0 50 EFAA Cc1cnccc1C(=O)NCC[C@@H]1CCCN(Cc2cccnc2)C1 67974088 MEBRJXYGNOAFFC-KRWDZBQOSA-N 338.455 2.817 0 50 EFAA CCn1cc(CN2CCCN(Cc3ccccc3OC)CC2)cn1 121642932 OTAWPUORHUPTSF-UHFFFAOYSA-N 328.460 2.620 0 50 EFAA CCN(CCc1nccs1)C(=O)C(=O)Nc1ccc2[nH]ccc2c1 124893937 PMRBSWSPXJMXJJ-UHFFFAOYSA-N 342.424 2.654 0 50 EFAA CC[C@H](CO)N(Cc1cccs1)C(=O)c1cnc2ccccn12 65425167 LADCPIIIMLQECX-CYBMUJFWSA-N 329.425 2.809 0 50 EFAA CC(C)(C)c1ncc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)cn1 328595140 LUZPSNAKHKRCDL-UBHSHLNASA-N 328.416 2.874 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccnc(C3CC3)n2)on1 328624816 CPJFKRIOYQUPPK-GJZGRUSLSA-N 345.422 2.699 0 50 EFAA CCc1noc([C@H](C)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328646958 SYMWSCHXXDHBGL-QRTARXTBSA-N 329.448 2.713 0 50 EFAA CC(C)c1nc(C2CCN(C(=O)c3cn4ccnc4s3)CC2)no1 329101578 MZUSVFFOHYUVHW-UHFFFAOYSA-N 345.428 2.922 0 50 EFAA C[C@]1(C[C@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)N=C(O)N=C1O 329342252 BAYYOJLHZAKUJW-UEKVPHQBSA-N 343.374 2.836 0 50 EFAA O=C(c1cccnc1S)N1CCO[C@@]2(CCc3ccccc32)C1 155394822 YXYXLJYOBFLZKM-SFHVURJKSA-N 326.421 2.684 0 50 EFAA Cn1ncc2c(N[C@H]3CCN(c4ncccc4Cl)C3)ccnc21 367339282 KQGCZNWEDGQJLU-NSHDSACASA-N 328.807 2.708 0 50 EFAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2nc(C(F)(F)F)cs2)on1 174987819 ZCMAVKLSTINJPR-QMMMGPOBSA-N 348.350 2.917 0 50 EFAA O=C([C@@H]1Cc2ccccc2O1)N1CCC(OCc2cccnc2)CC1 77471050 UNXOYVYIMLHJIL-IBGZPJMESA-N 338.407 2.593 0 50 EFAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nccn2CC(F)(F)F)C1 336879280 LXOMRMAWTFHCAG-KGLIPLIRSA-N 343.324 2.892 0 50 EFAA Cc1nn2c(NCC(=O)NC3CC3)cc(-c3ccccc3)nc2c1C 72474929 WQNGBYLUSYUPTB-UHFFFAOYSA-N 335.411 2.704 0 50 EFAA COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 218078744 RWKXEVZUYTWRJM-NSHDSACASA-N 344.319 2.545 0 50 EFAA biogenic Cc1ccc(-c2ccnc(N3CCO[C@@H](C(F)(F)F)C3)n2)c(C)n1 71748292 IJBCOPDVHXBXTN-CQSZACIVSA-N 338.333 2.923 0 50 EFAA CC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)CCNCC3)cc1 240707790 HQOSUENYAQBREN-UHFFFAOYSA-N 337.423 2.610 0 50 EFAA N[C@@H](C(=O)N1CCC[C@H](CN2CCCCCC2)C1)c1ccccc1 237799026 WSFZIUMGMIQCTB-IEBWSBKVSA-N 329.488 2.801 0 50 EFAA C[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)c1nccn1C 375305269 ZLHITDDNMWGTAH-OAHLLOKOSA-N 328.460 2.744 0 50 EFAA N[C@@H](C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1ccccc1 237867541 GJOCMSIKHNKHQB-MRXNPFEDSA-N 333.395 2.988 0 50 EFAA Cc1cncc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 72126667 SVZXTKVBDZUIPM-HXUWFJFHSA-N 335.451 2.705 0 50 EFAA CN(C(=O)C1(c2ccccc2)CC1)c1ccc(OCC(=O)O)cc1 263159690 VJMVWATZFKEDLA-UHFFFAOYSA-N 325.364 2.845 0 50 EFAA C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)c1nc[nH]n1 174528668 XZMPXZQEIVLJEY-SNVBAGLBSA-N 349.232 2.866 0 50 EFAA C[C@@H]1CCCN(c2cc(C(=O)N3CC[C@H](n4cccn4)C3)ccn2)C1 291315072 UESNDWXIWUJYFS-WBVHZDCISA-N 339.443 2.602 0 50 EFAA C[C@@H]([C@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O 43135893 NEYMFDJFZULCQI-APPDUMDISA-N 326.327 2.937 0 50 EFAA Cc1cn2cc(C(=O)NC[C@@H]3CCCN(c4ccccn4)C3)ccc2n1 82086545 MZXISFODMGSXBV-INIZCTEOSA-N 349.438 2.684 0 50 EFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCn2cncc2C1 290925542 LKOLROHAXQMKOQ-UHFFFAOYSA-N 326.183 2.855 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(C)[C@@H]1CCNC1 178946278 SDIDGYOLLFGUGT-LLVKDONJSA-N 344.889 2.846 0 50 EFAA CC(C)C[C@H](CC(=O)O)NC(=O)N1CCC(O)(c2ccccc2)CC1 426700131 ZRQOKKHUAJGMCB-MRXNPFEDSA-N 348.443 2.569 0 50 EFAA COc1ccc(OC[C@H]2CCCN(c3nc(N)ncc3C)C2)cc1 91693951 BJGVSFHOLFWLJA-AWEZNQCLSA-N 328.416 2.671 0 50 EFAA O=C(C1CCCCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95529743 LGNGCJOWSDGKHB-GOEBONIOSA-N 347.484 2.673 0 50 EFAA COc1ccc(N2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239296994 DODZACSBQUZIMD-JCHJZTRSSA-N 347.370 2.655 0 50 EFAA CO[C@@H]1CCCOC12CCN(C(=O)CCc1scnc1C)CC2 95369149 WHDFEABWTJIXSH-OAHLLOKOSA-N 338.473 2.571 0 50 EFAA Nc1cc(N2CCC(c3nccn3Cc3ccncc3)CC2)ccn1 92019539 BRBXWUKQXGHOPZ-UHFFFAOYSA-N 334.427 2.688 0 50 EFAA O=C(CCCc1cn[nH]c1)NCc1ccccc1OC(F)(F)F 97334222 JZSYPFARBKXTQB-UHFFFAOYSA-N 327.306 2.947 0 50 EFAA Nc1nccnc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 181517884 ZSBUEIRHDDNDPF-UHFFFAOYSA-N 332.363 2.913 0 50 EFAA O=C(c1ccnnc1)N1CCN(c2c(Cl)cccc2Cl)CC1 183955814 NUCLZVXYRGZNFQ-UHFFFAOYSA-N 337.210 2.746 0 50 EFAA CCCNC(=O)[C@@H]1CCCN(C(=O)c2cncc3ccccc23)C1 299503865 TZWNYWLVQLFFCC-OAHLLOKOSA-N 325.412 2.613 0 50 EFAA Oc1nc(-c2ncc(C(F)(F)F)cc2Cl)nc2c1CCNC2 261494780 GDIQDXFMBWLHCX-UHFFFAOYSA-N 330.697 2.562 0 50 EFAA Cc1oc2c(c1C(=O)N[C@@H](c1nccn1C)C(C)C)C(=O)CCC2 299792702 GMNGKLAKDKDXRL-MRXNPFEDSA-N 329.400 2.968 0 50 EFAA O=C(COC[C@@H]1CCCCO1)NCc1cccc(C(F)(F)F)c1 299762094 KUUWNGWKFNZTFF-AWEZNQCLSA-N 331.334 2.907 0 50 EFAA CCOC(=O)CCC(=O)C(=O)OCc1cccc(C(F)(F)F)c1 299805438 OKDCLZOKKGLMIX-UHFFFAOYSA-N 332.274 2.661 0 50 EFAA CCc1ocnc1C(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 670454406 WOWLHVVVBMLZBA-UHFFFAOYSA-N 346.412 2.537 0 50 EFAA CC(C)n1cnc2ccc(CNc3nc(O)c4cnn(C)c4n3)cc21 1336714963 UEXNCILVGURWHY-UHFFFAOYSA-N 337.387 2.612 0 50 EFAA Cc1c(Br)ccc(NC(=O)NC2CC(C(=O)O)C2)c1F 871656108 UUBBFDHBEXMIAR-UHFFFAOYSA-N 345.168 2.881 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 71261709 GYGHZSLCYCNPEM-KGLIPLIRSA-N 335.835 2.607 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)s1 1565510023 QPHJRSZFGZUWAS-KBPBESRZSA-N 337.441 2.821 0 50 EFAA Cc1cccc(NC(=O)[C@@H](C)Cn2ncc3ccccc32)c1C(N)=O 408516280 JBVILPPDMADJSR-ZDUSSCGKSA-N 336.395 2.718 0 50 EFAA O=S(=O)(CCCc1cn[nH]c1)Cc1cccc(Br)c1 170610936 GIIUBAWLRMWGKQ-UHFFFAOYSA-N 343.246 2.720 0 50 EFAA O=C1[C@@H]2CCC[C@H]2N1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 170650408 LCTSHROMAGXMNJ-RKDXNWHRSA-N 330.272 2.772 0 50 EFAA CC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 188948539 JFWCJSLDPMFHTE-UHFFFAOYSA-N 332.297 2.539 0 50 EFAA Cc1cnc(C)c(N2CCC(C(=O)N3CCc4ccccc43)CC2)n1 195563749 FTLDUCTUVVSGDD-UHFFFAOYSA-N 336.439 2.899 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)NCc1cccnc1 231416 AAWUADOIZPQAEJ-UHFFFAOYSA-N 341.230 2.631 0 50 EFAA CC(C)=CCN1CCC[C@H](CNC(=O)CCN2CCCCCC2=O)C1 1506404821 JCKFTEYBNZCOPS-GOSISDBHSA-N 349.519 2.574 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(Cl)ccc1F 1704308728 ILFHQUSFJLZGFQ-UHFFFAOYSA-N 338.814 2.715 0 50 EFAA O=C1C[C@@H](NCc2ccccn2)CN1CCc1cccc(Cl)c1 12308694 LWBSUYJSMMWFFH-QGZVFWFLSA-N 329.831 2.668 0 50 EFAA Cc1csc(CNC(=O)c2cc(COc3ccccc3)[nH]n2)n1 12446655 MNLIFUQWVNBSGQ-UHFFFAOYSA-N 328.397 2.684 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1 13323785 PDQYPIKBEBBHDT-DETCHVMESA-N 333.384 2.779 0 50 EFAA CN(C(=O)Cc1cccnc1)[C@H]1CCCN(Cc2ccccc2F)C1 15064897 DJXHBHNYGFDCOL-SFHVURJKSA-N 341.430 2.886 0 50 EFAA CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccccc2)CC1 16123844 KRXIEAOYUVMROX-HNNXBMFYSA-N 334.416 2.755 0 50 EFAA O[C@@H](COC1CCCCC1)CN1CCN(c2ccc(F)cc2)CC1 16578905 FRIXBUCBGTXTIE-GOSISDBHSA-N 336.451 2.658 0 50 EFAA CC(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 16643458 HATKGIHLKDAXAY-UHFFFAOYSA-N 340.448 2.818 0 50 EFAA Cc1ccc2cc(-c3nccn3C[C@@H]3COCCO3)c(O)nc2c1 1857686961 KZKOOCOUQCPLEU-CQSZACIVSA-N 325.368 2.528 0 50 EFAA N[C@H]1CCC[C@@H]1C(=O)NCC1(c2ccccc2Cl)CCOCC1 237846591 IALRNKYUHUWEAX-BBRMVZONSA-N 336.863 2.632 0 50 EFAA C[C@@H](O)C[C@H]1CCCCCN1C(=O)COc1ccc(F)cc1F 241846598 SMDDNHTYCHBWFO-TZMCWYRMSA-N 327.371 2.886 0 50 EFAA COc1ccc(Cl)c(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 345795565 HQLVQPNUZXICMH-USXIJHARSA-N 325.836 2.710 0 50 EFAA C[C@H](CO)N(C)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 252481809 CSUQTZRPCKFYON-SNVBAGLBSA-N 337.326 2.997 0 50 EFAA CC(C)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 159345783 BAGLRMROVNYLJC-MRXNPFEDSA-N 345.468 2.762 0 50 EFAA C[C@H](Sc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(N)=O)C1 263704406 NOJFHDNLXPWYJW-QWRGUYRKSA-N 326.849 2.545 0 50 EFAA Cn1cc(CN[C@@H]2CC[C@H](CC(=O)O)C2)c(-c2ccc(F)cc2)n1 905817828 WZDPDFGCDGXSSH-BLLLJJGKSA-N 331.391 2.959 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(N)=O)ccn1C(C)C 864915277 NDNVXNGSZIDYCP-HNNXBMFYSA-N 343.431 2.567 0 50 EFAA CO[C@@H]1COCC[C@H]1Nc1nc(-c2cccnc2)nc2ccccc12 1157409678 HMGRKRMLLRHSAW-IAGOWNOFSA-N 336.395 2.908 0 50 EFAA Cc1nc(C)c([C@@H](C)N(C)C(=O)Cn2ncc3cccnc32)s1 874441177 ZYCWPJWMAYFIAL-LLVKDONJSA-N 329.429 2.724 0 50 EFAA O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C1CCCCC1 952883057 UDMLETAPGDBPCC-NSHDSACASA-N 330.354 2.599 0 50 EFAA CC(C)c1nc([C@H]2CN(c3cccc(C(=O)O)n3)C[C@@H]2C2CC2)n[nH]1 952851057 DAXUXPIPFXUMCR-OLZOCXBDSA-N 341.415 2.651 0 50 EFAA Cn1nccc1C1(O)CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 952994406 TVQZKTWRHWKWQX-UHFFFAOYSA-N 339.182 2.576 0 50 EFAA CCOc1ccc(-c2cn([C@@H](C)CNC(=O)CC3CC3)nn2)cc1F 1875353221 YCMOEMFMWBDYAY-LBPRGKRZSA-N 346.406 2.960 0 50 EFAA O=S(=O)(Nc1cnc(C2CCC2)nc1)c1cccc2c1COC2 1875303815 OKBDCYHXSRFQDY-UHFFFAOYSA-N 331.397 2.575 0 50 EFAA Cc1cc(-c2nn[nH]n2)cc(C)c1CN[C@@H]1CCC[C@@]12CCCO2 1875330105 ONIZKDHIFUSCSO-SJLPKXTDSA-N 327.432 2.675 0 50 EFAA C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1nnc(C(C)(C)C)s1 879143197 DMWVZOJXETVYFS-TVQRCGJNSA-N 333.461 2.541 0 50 EFAA Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 887028545 BYJOERVZMGVEEB-QZTJIDSGSA-N 347.455 2.543 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(Cl)c3c(c2)OCCO3)C1 888077536 HOFNKEHDCBDASW-TZMCWYRMSA-N 349.818 2.796 0 50 EFAA COc1c(Cl)ccnc1COC(=O)CCNC(=O)OC(C)(C)C 888099461 LBAPACNOEIELCU-UHFFFAOYSA-N 344.795 2.702 0 50 EFAA O=C(NCCn1cccn1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 893013890 NNZWUVONYHMOBA-LJQANCHMSA-N 338.411 2.533 0 50 EFAA COc1ccc(CNc2cc(N(C)C)c(Br)cn2)nc1 894753478 MUPCHVUZJGJCQI-UHFFFAOYSA-N 337.221 2.926 0 50 EFAA O=C(N[C@@H]1CC[S@](=O)C1)N1CCC(c2cc3ccccc3[nH]2)CC1 2325740700 RCZQTMHKLKCFGM-MYYSRTQBSA-N 345.468 2.578 0 50 EFAA NC[C@H](C(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CCN3)C1)C1CCCCCC1 2325769067 DOERIMDPMKKUDI-XODKDNOYSA-N 347.547 2.912 0 50 EFAA CC(C)(C)c1ccnc(CN2CCC[C@H](n3cc(C(=O)O)nn3)C2)c1 2325792060 ZGDRHHQIBVQRCC-HNNXBMFYSA-N 343.431 2.506 0 50 EFAA Cc1c(C(=O)N[C@H]2CCCC[C@H]2P(C)(C)=O)cnc2ccnn12 2325796937 GISROTBSZLUZAF-UONOGXRCSA-N 334.360 2.701 0 50 EFAA Cn1cc([C@H](NC(=O)c2ccc3c(c2)CCNC3)c2ccccc2)cn1 2325856184 FAAIXXLHDFXWTE-HXUWFJFHSA-N 346.434 2.585 0 50 EFAA CN(C)c1cccnc1CNC(=O)c1ccc2n[nH]cc2c1Cl 2325861327 MVYLWAIAPNDMAK-UHFFFAOYSA-N 329.791 2.607 0 50 EFAA COc1cc2c(cc1OC)[C@@H](c1cccc(OC)c1OC)NCC2 188138 BMPGEMONJGBRMN-GOSISDBHSA-N 329.396 2.956 0 50 EFAA Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 194862 CFZRSYLLORHFFS-UHFFFAOYSA-N 348.815 2.936 0 50 EFAA COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C 476448 UVJAIZRIKRBEIP-UHFFFAOYSA-N 336.369 2.508 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1C 2356168360 ACJWAPHHVMVZCP-HXUWFJFHSA-N 342.439 2.763 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O 6702346 IXPZEOHMWJATCZ-UHFFFAOYSA-N 340.445 2.608 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1F 6706968 UWMYLFZLCYVOJQ-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA O=C(Nc1ccnn1Cc1cccs1)[C@@H]1COc2ccccc2O1 7793989 AMJMGVKDTRKVBE-HNNXBMFYSA-N 341.392 2.771 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)c1cc(=O)[nH]c2ccccc12 55695829 IHGFUECCMYNKBM-UHFFFAOYSA-N 344.374 2.644 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccccc1 10328170 CAYBZOUDKLDUMU-CYBMUJFWSA-N 332.425 2.858 0 50 EFAA C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H]1c1cccc(N(C)C)c1 247550642 PWYWPUQRSCOYSE-LZQZEXGQSA-N 345.487 2.573 0 50 EFAA COc1cccc([C@H](C)C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 134658070 XPMPCFXYNXAWOU-NSHDSACASA-N 341.436 2.899 0 50 EFAA COc1cccc([C@@H]2CCN(Cc3cnn(C)c3C3CC3)C[C@H]2O)c1 65396823 GEZHGXGXNNKIDS-RBUKOAKNSA-N 341.455 2.657 0 50 EFAA CCCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1 248180440 YHXSICCRUGSVAE-MJGOQNOKSA-N 329.488 2.894 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 248178216 BORYJDXBBXVWKL-BHYGNILZSA-N 325.412 2.686 0 50 EFAA Cc1nnsc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 67489625 FSLUIXNIEJKNMM-ZDUSSCGKSA-N 348.447 2.628 0 50 EFAA COC(=O)[C@@H](CCSC)n1ccnc1-c1cccc2nonc12 65406376 ISWSTKALWYPPFN-GFCCVEGCSA-N 332.385 2.554 0 50 EFAA CCSc1nnc(NC(=O)CN(C)[C@H](C)c2nccs2)s1 65370927 IMPULZZYMDHWEA-MRVPVSSYSA-N 343.503 2.738 0 50 EFAA CCOc1ccccc1NC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 67850445 RLFJIEKTEBACTE-GOSISDBHSA-N 331.416 2.562 0 50 EFAA O=C(Nc1ccccc1OCCn1ccnc1)[C@H]1Cc2ccccc2O1 253416972 APFWWOXPVIRKHY-LJQANCHMSA-N 349.390 2.904 0 50 EFAA O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1c1nc(CCc2ccccc2)n[nH]1 67562794 FUFXDXICZDEQOE-WTLGNFPFSA-N 348.450 2.774 0 50 EFAA CN(C)c1nc2c(c(N[C@H](c3nccn3C)C3CC3)n1)CCCC2 65410585 WYYFXTGXUPMFOD-HNNXBMFYSA-N 326.448 2.718 0 50 EFAA CC1(C)CCc2ccccc2[C@@H](NCC(=O)NC2CCOCC2)C1 252478674 ARYCCEPTIORFEI-SFHVURJKSA-N 330.472 2.975 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)c3ccccc31)C2 67712976 YEUNYGLIMFUZBO-HNNXBMFYSA-N 335.407 2.987 0 50 EFAA CCn1cc(CN2CCC(Oc3ccccc3F)(C(=O)O)CC2)cn1 72411482 VBOPTNCAWXCHEQ-UHFFFAOYSA-N 347.390 2.540 0 50 EFAA COc1cccc(-c2cc(C(=O)N3CCC[C@H](N(C)C)CC3)[nH]n2)c1 72148679 RNOSAOYJBGGJIF-HNNXBMFYSA-N 342.443 2.642 0 50 EFAA Cc1cc(C(=O)CCC(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)s1 331100030 CPKDDXZGCODLPW-VXGBXAGGSA-N 341.498 2.696 0 50 EFAA Cc1cccc(NC(=O)C2=C(O)c3ccccc3N(C)S2(=O)=O)c1 6055455 CTJXNFQPSPJRIL-UHFFFAOYSA-N 344.392 2.640 0 50 EFAA Cn1ncc(CN2CCC[C@H](OCc3cccnc3)C2)c1C1CC1 72167405 SDPHGLQTTBLBBE-SFHVURJKSA-N 326.444 2.874 0 50 EFAA CCn1nccc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328633482 MBRJANSCTSLBCV-LBPRGKRZSA-N 341.381 2.813 0 50 EFAA O=C([C@@H]1CCOc2ccccc21)N1CC[C@H](OCc2ccncc2)C1 172246028 ARTRWBAWSYCLOW-FUHWJXTLSA-N 338.407 2.765 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 215241665 STZHIAZQZCJCFF-CQSZACIVSA-N 334.441 2.598 0 50 EFAA COc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c(C)c1 358302565 RUTDUQIPFVLFQI-UHFFFAOYSA-N 336.395 3.090 0 50 EFAA CC(C)[C@@H]1OCC[C@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 487699656 WPNQPLSMXDDLEU-CABZTGNLSA-N 329.326 2.616 0 50 EFAA CN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2ccccn2)no1 77470108 IQNYFTISJDOBAW-UHFFFAOYSA-N 338.367 2.535 0 50 EFAA COc1c(C)cnc(CN2CCC[C@@]3(CC2)CN(C)C(=O)O3)c1C 72167958 CSRGRHUDCMULDV-GOSISDBHSA-N 333.432 2.514 0 50 EFAA COc1ccncc1NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O 361461386 KDOGQURHNRWRJR-QGZVFWFLSA-N 339.395 2.565 0 50 EFAA CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(-n2ccnc2)nc1 363794929 FDSKXHJQQCATEO-IRXDYDNUSA-N 342.443 2.869 0 50 EFAA O=C(NCCN1CCC[C@H](CO)C1)c1cccc2c(Cl)cccc12 215960990 WIIRVZLGDHHUEK-AWEZNQCLSA-N 346.858 2.927 0 50 EFAA CN(C)Cc1csc(CN2CCC[C@@H](CCC(=O)N(C)C)C2)c1 72158311 ZPYHNTORYJAIRU-HNNXBMFYSA-N 337.533 2.890 0 50 EFAA Cc1c(NS(=O)(=O)c2c[nH]c3ncccc23)cnn1C1CCCC1 333182452 SPYZEEPBXLVLRL-UHFFFAOYSA-N 345.428 2.984 0 50 EFAA CC(=O)n1nc(Br)c(Br)c1Br 71770305 AHWTVNJMMONBSB-UHFFFAOYSA-N 346.804 2.831 0 50 EFAA CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCc3ccccc32)C1 128873641 RXONZSXELVJBKV-WMZOPIPTSA-N 343.471 2.664 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(CN)CC1 237728791 IZZNTBFEDXVCTO-UHFFFAOYSA-N 332.835 2.645 0 50 EFAA COc1cc(F)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)cc1OC 77538590 YTDNNMCVRMOSDE-CYBMUJFWSA-N 338.423 2.532 0 50 EFAA C[C@H]1CN(c2ccccc2NC(=O)N2CCOCC[C@H]2C)C[C@@H](C)O1 378528359 SUACCNJIVJYGBP-OAGGEKHMSA-N 347.459 2.943 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1C 285180562 RITXCUWIOBSSFP-UHFFFAOYSA-N 333.335 2.857 0 50 EFAA Cc1[nH]ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 176079049 JFJNOFXKMLMQLH-KRWDZBQOSA-N 347.846 2.780 0 50 EFAA Cc1cc(C)c(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)o1 176170886 BVKDWRYIHGZMDW-UHFFFAOYSA-N 332.425 2.993 0 50 EFAA Cc1nc(NCCN2CC=C(C(C)(C)C)CC2)c2cnn(C)c2n1 239722507 CDBFRVKTXFVKGC-UHFFFAOYSA-N 328.464 2.762 0 50 EFAA COC1(c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)CCOCC1 289083490 UFQNIIQHZPKART-UHFFFAOYSA-N 345.399 2.983 0 50 EFAA O=C([C@@H]1CC=CC[C@@H]1c1nc([C@H]2CCCS2)no1)N1CCOCC1 289139398 SHGJUWSBJXWDLH-BFHYXJOUSA-N 349.456 2.546 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2ccnn2C)C1 229219336 CKGGRCNZBQYYBP-QWHCGFSZSA-N 347.850 2.675 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc2[nH]nnc2c1 83012225 MWIHUUMJTPMEOR-UHFFFAOYSA-N 327.413 2.565 0 50 EFAA Cc1nc(NCCc2cnn(-c3ccccc3)c2)cc([C@@H]2CCOC2)n1 426442500 HGYMIPCLTVWBKM-QGZVFWFLSA-N 349.438 3.129 0 50 EFAA Cc1cc(C)cc(OC[C@@H](O)CN2CCC[C@@H](c3ccn[nH]3)C2)c1 229219591 RVHOPFXMQIKDGG-SJORKVTESA-N 329.444 2.646 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)N2C[C@H](CO)c3ccccc32)n1 293814346 DTJMVZJDLMNGBV-LLVKDONJSA-N 331.803 2.990 0 50 EFAA Cc1c(C(=O)NC2(c3cc(F)ccc3F)CC2)cnc2ccnn12 97425709 CLUIGPNSGGFADH-UHFFFAOYSA-N 328.322 2.735 0 50 EFAA O=C(C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)c1ccccc1 96150155 WHAXDYJBOXFRFC-UHFFFAOYSA-N 349.365 2.983 0 50 EFAA O=C(CCOc1ccccc1Cl)N1CCCC[C@H]1c1nc[nH]n1 181180713 XUAVVNQMIAPIPK-ZDUSSCGKSA-N 334.807 2.981 0 50 EFAA Cc1nc(CC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cs1 95355260 QXQXGCYVRYPASH-MRXNPFEDSA-N 330.453 2.578 0 50 EFAA CCCc1cnc(C)nc1N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91518742 IWXBOJODXFWOKJ-RTBURBONSA-N 346.519 2.658 0 50 EFAA Cc1nc2sccn2c1C(=O)N(Cc1cocn1)Cc1cocn1 97532698 IEWNWJPGNHXVFF-UHFFFAOYSA-N 343.368 2.523 0 50 EFAA C1CN(CCN2C[C@H]3CC[C@@H]2C3)CCC1Cc1noc(C2CC2)n1 244894078 YZNGXHNBVCVYGJ-DOTOQJQBSA-N 330.476 2.686 0 50 EFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@H](N)C3)C2)c1 299753193 XEZYHHDKHZCATJ-LZWOXQAQSA-N 332.444 2.537 0 50 EFAA Cc1cc(O)c(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cn1 299742159 IBCVNAPHKFCMAH-GUYCJALGSA-N 330.359 2.742 0 50 EFAA COC[C@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)C1 252501285 UDLWWOGGUZKUBV-LBPRGKRZSA-N 326.824 2.646 0 50 EFAA Cc1ccc(CN(CCO)C(=O)c2cc(C)n(C(F)F)n2)s1 1940198076 LQOXNKHWPMKQOW-UHFFFAOYSA-N 329.372 2.591 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)/C=C/c2cnc(N(C)C)nc2)c(C)s1 827868204 DEQAYIQFHYAJGD-WSKFYRRCSA-N 345.472 2.849 0 50 EFAA CN1CCC[C@@H](CCNC(=O)N(Cc2cccc(O)c2)C2CC2)C1 584892319 JEFBWXMTYRTWIM-HNNXBMFYSA-N 331.460 2.798 0 50 EFAA CCOc1ccc(CN2CC[C@@H](CC(=O)NC)C2)c(OCC)c1C 670452704 NGPNTWPWIHJNPK-HNNXBMFYSA-N 334.460 2.750 0 50 EFAA CSc1ncc(CN2CCCN(Cc3cccs3)CC2)cn1 952988681 OJGFUFYEQASSNY-UHFFFAOYSA-N 334.514 2.968 0 50 EFAA Cc1cccc([C@@H](C(=O)N(CCO)Cc2ccccc2C)N(C)C)c1 952988695 RMPRCIWFSUABHW-FQEVSTJZSA-N 340.467 2.927 0 50 EFAA CC[C@H](NCc1ccc(OCC(N)=O)cc1)c1nc(C)c(C)s1 952982932 NLPREWIZKUKFIT-HNNXBMFYSA-N 333.457 2.865 0 50 EFAA CC(C)n1cccc1CNC(=O)CC1(Cn2cnnn2)CCCCC1 952963939 NCDPJQVTXVPLLV-UHFFFAOYSA-N 344.463 2.713 0 50 EFAA C[C@H](NC(=O)[C@H](O)c1ccccc1Cl)[C@@H](O)c1ccc(F)cc1 305718773 NYYXRTCBOITVCY-AMKSKSKJSA-N 337.778 2.751 0 50 EFAA CCC(CC)n1ncc(C(=O)NC[C@@H](CO)Cc2ccncc2)c1C 408517775 SXNUNCJPQFPLBM-INIZCTEOSA-N 344.459 2.529 0 50 EFAA Cc1c(NC[C@H]2CCCCO2)nn2c(C(F)(F)F)nnc2c1C 269381725 PKBGLAHQRSHYTR-SNVBAGLBSA-N 329.326 2.741 0 50 EFAA Cn1cc(CCCCNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cn1 170674685 ONHQZNOBUSAXGX-QGZVFWFLSA-N 348.491 2.924 0 50 EFAA CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@H]2CCO[C@@H](C)C2)c1 271192195 ACYRIVBQKUKLAO-ZQIUZPCESA-N 347.459 2.582 0 50 EFAA C[C@@H](N)CC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 638472279 CZTWXIWTCZMLIW-ZWNOBZJWSA-N 343.290 2.879 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 190474368 PNIJYAVTVYGJMZ-SFHVURJKSA-N 347.374 2.901 0 50 EFAA CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(Br)o1)CC2 192983835 NWOROZPGALYDFD-UWVGGRQHSA-N 339.237 2.862 0 50 EFAA NC(=O)c1cccc(CNc2ncnc3c2ncn3-c2ccccc2)c1 647854798 HOAIPDWDCIPZJJ-UHFFFAOYSA-N 344.378 2.527 0 50 EFAA CS(=O)(=O)c1ccccc1NC(=O)c1ccoc1Br 193308004 ZZGPNANTXGTMEK-UHFFFAOYSA-N 344.186 2.698 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 746189015 LXLGZJXFROIPOK-BDJLRTHQSA-N 339.844 2.856 0 50 EFAA CCNC(=O)c1cc(N2C[C@H](c3ccccc3)O[C@H](C)C2)ccn1 195530095 UWXCCJYKUKACOR-RDTXWAMCSA-N 325.412 2.798 0 50 EFAA CN(C)c1nc2cc(NC[C@@H]3CCO[C@H]3c3nccn3C)ccc2o1 667936107 DFRVWYOAVHPLAK-BLLLJJGKSA-N 341.415 2.817 0 50 EFAA COc1cc(C)c(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1C 1529160045 ZUVOOQRGVRLSFJ-MOPGFXCFSA-N 326.440 2.742 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)c2coc(CN)n2)C[C@@H](c2ccccc2)O1 1529191745 FIFMIBUXGOBTQT-JKSUJKDBSA-N 343.427 2.762 0 50 EFAA CCCOC(=O)C(C(=O)OCCC)n1c(=O)sc2ccccc21 5591241 JYRINMXISYXZIF-UHFFFAOYSA-N 337.397 2.511 0 50 EFAA C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccco2)CC1 12380428 WSYJLHONITZYFL-CQSZACIVSA-N 332.375 2.530 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cn[nH]c1 12435292 YUEOOAGYSCCBCK-UHFFFAOYSA-N 330.294 2.805 0 50 EFAA COCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12715821 CMSLLNPJULFVEX-LJQANCHMSA-N 334.435 2.677 0 50 EFAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(C)CC1 169681392 DQAPLRLZIYTUGS-HNNXBMFYSA-N 345.487 2.561 0 50 EFAA Cc1nc(CN2CCN(c3nsc4ccccc34)CC2)cn1C 1857681478 KVZAGTRCVQSQHU-UHFFFAOYSA-N 327.457 2.660 0 50 EFAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1cccc2cnccc12 1857701306 RYPRAXVKBRZZIF-UHFFFAOYSA-N 333.395 2.893 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc(Cl)s4)[C@@H]2CC(=O)N13 1857732941 OFXHZYKCKBCPHS-ZENOOKHLSA-N 340.876 2.959 0 50 EFAA O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2ccccc2)c1 226322968 BOJDXDXDXUGOJW-MDZDMXLPSA-N 326.377 2.911 0 50 EFAA CN1CCC(NC(=O)NCCc2ccccc2OC(F)(F)F)CC1 123052340 NSMZRNZBZIJULV-UHFFFAOYSA-N 345.365 2.521 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N[C@H](CCO)C3CCOCC3)cc2C1 332321655 OMBUXNUTMLUJOI-IUODEOHRSA-N 337.485 2.780 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 237971438 MSLLNQBCZHEHDZ-AWEZNQCLSA-N 327.384 2.589 0 50 EFAA COc1cc(CC(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1C 655118345 CBHWUUGXLWYCRA-QGZVFWFLSA-N 341.455 2.932 0 50 EFAA COCCC1(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 133057669 JKUYJAKKYGMCTH-UHFFFAOYSA-N 331.372 2.712 0 50 EFAA Cc1cccc([C@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1C 158640522 RVISLIHDWFMEGZ-YOEHRIQHSA-N 329.444 2.817 0 50 EFAA COc1cc(NC(=O)c2ccnn2C2CCCC2)ccc1C(=O)O 262852834 DILWLKUZCBREKK-UHFFFAOYSA-N 329.356 2.957 0 50 EFAA C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 164320513 ANQPQBZTOYLUOX-SWLSCSKDSA-N 349.427 2.884 0 50 EFAA O=C(O)c1cccnc1N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 900990421 NEJCBHVQNVQKMZ-SNVBAGLBSA-N 338.289 2.930 0 50 EFAA C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)COCC(=O)O 902516596 IJOJHPUZFHKVQB-MRXNPFEDSA-N 343.782 2.504 0 50 EFAA CCn1nccc1NS(=O)(=O)c1cc(F)ccc1OC(C)C 903574536 SUNGSENMNAVMGD-UHFFFAOYSA-N 327.381 2.630 0 50 EFAA O=C(O)[C@H](c1ccsc1)N1CCn2c(cnc2C(F)(F)F)C1 903915573 BCNXCUFSORRXNL-JTQLQIEISA-N 331.319 2.605 0 50 EFAA Cc1[nH]nc2ccc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)cc12 906203849 DJPXUKUIGRTXMU-UHFFFAOYSA-N 335.411 2.635 0 50 EFAA Cc1ccc(Br)c(C(=O)Nc2c3c(nn2C)CCC3)n1 930591378 FTJVOAYULNXSPV-UHFFFAOYSA-N 335.205 2.627 0 50 EFAA O=C(N=c1cc[nH]cc1-c1ccccc1)[C@@H]1CCCN(C(=O)C2CC2)C1 952994059 OVKACGHHMVUICB-QGZVFWFLSA-N 349.434 2.758 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](c4cnccn4)C3)cc2)n1 952992255 CECQPTGAYWVDPE-KRWDZBQOSA-N 347.422 2.909 0 50 EFAA Cc1ccc(-n2ccnc2)c(C(=O)NCc2cnc3n2CCCC3)c1 952961930 SHFUCXNKFMGTGC-UHFFFAOYSA-N 335.411 2.644 0 50 EFAA COCc1cccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1 1875289109 SVVIDQAMHDDCII-NWDGAFQWSA-N 329.400 2.508 0 50 EFAA CC(C)(C(=O)O)C(=O)N1CC[C@H](c2ccccc2Br)C1 1875300852 SPFSDAGACNUGTR-JTQLQIEISA-N 340.217 2.876 0 50 EFAA Cn1cc2cc(-c3ccc(N4C[C@H](CO)CC4=O)cc3)cc(F)c2n1 1875302118 AOPSPRUDXBVODJ-GFCCVEGCSA-N 339.370 2.725 0 50 EFAA CC(C)(C)OC(=O)Nc1cccc(C(=O)NC(C)(C)c2nc[nH]n2)c1 1775987129 BWFPFOZLAJSQEE-UHFFFAOYSA-N 345.403 2.817 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC(C)(C)CC(=O)O)C1 323619992 NGZYVTVQRLKMOM-MRXNPFEDSA-N 346.471 2.858 0 50 EFAA CCOc1cc(F)ccc1NCc1nc(Br)nn1C 864090047 YMWYAWTYCMJLOR-UHFFFAOYSA-N 329.173 2.728 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C2 2100477142 JLNMCVFSYFTTDV-LRDDRELGSA-N 344.238 2.657 0 50 EFAA CC(C)Cn1cc(/C=C/c2nc3cc(C(=O)O)cnc3s2)nn1 2325799041 PAQCBRHGKDLNTQ-ONEGZZNKSA-N 329.385 2.807 0 50 EFAA Cc1cc(C(=O)NCCc2c[nH]c3cc(F)c(F)cc23)nc(C)n1 2325840275 WENVQDKNZZVXOS-UHFFFAOYSA-N 330.338 2.825 0 50 EFAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1 11754159 HHTKDURNUCZKRL-KRWDZBQOSA-N 345.443 2.665 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cc1O)N1C(=O)c2ccccc2C1=O 303022 FRONEVJJXADVKS-VIFPVBQESA-N 344.754 2.669 0 50 EFAA CN(c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O 470903 QVFNRDJZLSHKLA-UHFFFAOYSA-N 338.816 2.988 0 50 EFAA O=C(Cc1noc2ccccc12)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356158589 QCRUYPOIXZEFAU-CRAIPNDOSA-N 336.391 2.747 0 50 EFAA Cc1nn(CC(=O)N2CCCc3ccccc3C2)c(=O)c2ccccc12 2356168684 AYQPYPFXZPDSLM-UHFFFAOYSA-N 347.418 2.680 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2ccccc2Cl)C1 6743279 RYSQCFSWOMCEET-GFCCVEGCSA-N 345.848 2.697 0 50 EFAA CNC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccccc2Cl)cc1 133678493 IFPCQLFPEPZBKC-HNNXBMFYSA-N 347.802 2.555 0 50 EFAA CCCCN(Cc1sccc1C)C(=O)CSc1n[nH]c(N)n1 55244952 BZYRBJZBDCBXBM-UHFFFAOYSA-N 339.490 2.678 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H](C)N1C(=O)OC(C)(C)C 114277479 RHCQYPLQJVSIMR-VXGBXAGGSA-N 337.395 2.691 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 246809122 FFTAFBRKQYYPGG-IHPCNDPISA-N 342.483 2.812 0 50 EFAA CNc1ncccc1C(=O)N(CCN(C)C)Cc1ccccc1C 55168112 IITXRSLFWDBJFV-UHFFFAOYSA-N 326.444 2.636 0 50 EFAA Cc1cc2c(c(NC(=O)c3ccc([C@@H]4CCCN4)s3)n1)C(=O)OC2 23428983 WZWRGBYIDHGRBH-NSHDSACASA-N 343.408 2.799 0 50 EFAA Cc1nc(C(C)C)cc(N2CCC([C@H](O)c3nccn3C)CC2)n1 65423462 BVVVCGUTGQESEM-KRWDZBQOSA-N 329.448 2.592 0 50 EFAA COc1ccc2c(c1)c1nc(C)sc1n2CCN1CCOCC1 20533193 HFHUTFNPGKBCPA-UHFFFAOYSA-N 331.441 2.900 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3ncoc3-c3ccc(F)cc3)C2)n1 347378501 MEDPVMPDBKZVBE-LBPRGKRZSA-N 342.330 2.802 0 50 EFAA Cn1nc(C(=O)Nc2cc(F)c(F)c(F)c2)c2ccccc2c1=O 170622242 BZKHWROSZNZHFE-UHFFFAOYSA-N 333.269 2.603 0 50 EFAA O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc2oc(O)nc2c1 350923749 XFNVKANPQXPLNM-UHFFFAOYSA-N 348.362 2.708 0 50 EFAA O=c1cc(CN2CCC3(CCNCC3)C2)c2cccc3c2n1CCC3 67431704 ZISMFLLCJHVLNQ-UHFFFAOYSA-N 337.467 2.523 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H](C)O)s2)C1(CC)CC 253404783 FBMKCMFEWFOEMJ-RAIGVLPGSA-N 326.462 2.910 0 50 EFAA Cn1cc(CN2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 20166473 YMMMZWYEPQOUOK-FQEVSTJZSA-N 339.487 2.549 0 50 EFAA CC[C@@H](C(=O)NCCOC1CCCCCC1)N1CCO[C@H](CC)C1 252507768 WTPYTJMIHCGRQE-AEFFLSMTSA-N 340.508 2.731 0 50 EFAA Cc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2 111511 LNYVUOUSOYNVLE-UHFFFAOYSA-N 328.393 2.816 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](CC2CCCCC2)C1 12596051 XEPCLYYMLZPHNU-HNNXBMFYSA-N 342.461 2.651 0 50 EFAA COC(=O)[C@]1(CCNCc2ccccc2)CCN1C(=O)OC(C)(C)C 214469306 ZTKMFIMFGUOZOP-IBGZPJMESA-N 348.443 2.719 0 50 EFAA CCc1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]1 185153659 BBZOGLCSHWWMNP-UHFFFAOYSA-N 339.365 2.708 0 50 EFAA CCc1cc(O)nc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1 121644656 IEVJROMFOYKRTC-SFDCACGMSA-N 333.457 2.675 0 50 EFAA CCc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)ccc1C 367970481 OETCPBMQEFGLJT-DLBZAZTESA-N 330.428 2.666 0 50 EFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccnc1 38479462 QGKYNMPVCDKJQP-UHFFFAOYSA-N 340.770 2.597 0 50 EFAA CCCc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)n(C)n1 77469770 GUSVLSRTESSOET-AWEZNQCLSA-N 344.434 2.768 0 50 EFAA CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cs1 218969043 JCYYYFRJQJKODN-IAGOWNOFSA-N 346.452 2.810 0 50 EFAA O=C(O)COc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1 442826257 ISMGFPCQKCNYQL-UHFFFAOYSA-N 347.348 2.697 0 50 EFAA CCn1cc(CN2CCCN(C3Cc4ccccc4C3)CC2)c(C)n1 77556136 GBOCWHXRLBASKM-UHFFFAOYSA-N 338.499 2.887 0 50 EFAA CCC(CC)CN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O 77555125 DNHNWCVKCUJPMF-UHFFFAOYSA-N 333.432 2.878 0 50 EFAA COCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71589517 YEGQWXWAGSZBJT-SFHVURJKSA-N 336.451 2.921 0 50 EFAA COCc1cc(NC(=O)Cc2ccc3c(c2)CCO3)cc(C(=O)O)c1 263048133 FQUROISMXKCNDQ-UHFFFAOYSA-N 341.363 2.647 0 50 EFAA Cc1nc(-c2cccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)c2)no1 237810484 ZKXIUMMCCQONBR-CYBMUJFWSA-N 343.383 2.762 0 50 EFAA O=C(Cc1cnccn1)NCc1cc(-c2ccc(Cl)cc2)on1 222616396 SFYJFSOLDJCNIA-UHFFFAOYSA-N 328.759 2.644 0 50 EFAA CN(C)C[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 241588075 OZJLUGKNQXZWCU-QKPAOTATSA-N 337.851 2.562 0 50 EFAA C[C@H](NC(=O)C(=O)NCc1cccnc1)c1cccc2ccccc12 241926450 UGHHRCOZDHFOJY-AWEZNQCLSA-N 333.391 2.728 0 50 EFAA CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cccc(CCO)c2)c1 456909410 FEMJRUWCIAHWAB-AWEZNQCLSA-N 327.380 2.830 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)N1CC(C)(CC(F)(F)F)C1 458149399 UYVFONPLUUDMEV-LLVKDONJSA-N 332.370 2.812 0 50 EFAA Cc1cc(C)n(CCCN(C)c2cc([C@H]3CCOC3)nc(C)n2)n1 426487403 OBMBRCOJCOELKX-INIZCTEOSA-N 329.448 2.629 0 50 EFAA O=C(Nc1n[nH]c(Cc2ccccc2)n1)N[C@@H]1COC2(CCCC2)C1 19228171 HVBPRVWFIGCJRT-AWEZNQCLSA-N 341.415 2.619 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1N1CCCC1 82109633 WIMQTBOCJKOURL-GOSISDBHSA-N 343.471 2.760 0 50 EFAA COCc1cc(CNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)n[nH]1 222699053 FQNOAXZVMGLFSQ-MRXNPFEDSA-N 338.411 2.774 0 50 EFAA Cc1nccn1CC1CCN(C(=O)c2cc(CC(C)C)nn2C)CC1 82147005 HYHKUNDCZNKEDL-UHFFFAOYSA-N 343.475 2.676 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)N1Cc2ccccc2[C@H](O)C1 426647065 KFWOYNDEFRGWED-OAHLLOKOSA-N 343.452 2.781 0 50 EFAA CC(C)(C)N1C[C@H](C(=O)NCCc2c(F)cccc2Cl)CC1=O 91326939 SHTOYGAEWNHXNT-LLVKDONJSA-N 340.826 2.785 0 50 EFAA CCOc1ccc(Cl)cc1[C@@H](C(=O)O)N1CCC(CO)CC1 95382627 WIULXHJEYZDVEP-HNNXBMFYSA-N 327.808 2.569 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2)no1 91859929 SJGSXJREOPTTNP-KRWDZBQOSA-N 349.390 2.913 0 50 EFAA CCn1nccc1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95376633 OCIYTPPKYJIPCS-HNNXBMFYSA-N 327.384 2.621 0 50 EFAA O=C1CC2(CCN(CCCO)CC2)CN1Cc1ccc(Cl)cc1 95523787 CFPOIWPJDRTQSM-UHFFFAOYSA-N 336.863 2.537 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCc1cccc(Cl)c1 239121169 JLDWZGLMMQQRNA-WMHQRMGPSA-N 333.815 2.912 0 50 EFAA O=C1CCCCCN1CC(=O)N1CCC[C@H](OCc2ccccc2)C1 95498291 LJYNXPSCRUXMSV-SFHVURJKSA-N 344.455 2.597 0 50 EFAA Cc1ccc2snc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1 294765281 ZVZVKFWZWCKPJL-CYBMUJFWSA-N 347.484 2.522 0 50 EFAA Cc1nc(N)sc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 244787858 QEXYLYFREMFZAV-AWEZNQCLSA-N 348.447 2.740 0 50 EFAA O=C1CCCN1CC[C@H]1CN(C[C@H](O)C(F)(F)F)c2ccccc21 181769509 BORKJJAJIMGFPS-WFASDCNBSA-N 342.361 2.526 0 50 EFAA CCN1CCc2ncnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)c2C1 252467485 ODZIACOMQMCTPF-HNAYVOBHSA-N 338.455 2.821 0 50 EFAA O=C(NCc1nc2ccccc2n1C1CC1)N1CC[C@]2(CCOC2)C1 185223418 IRLHLVDOVQJMOS-IBGZPJMESA-N 340.427 2.693 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cnc2cnn(C)c2c1 1940196361 FVVUGTKLAVMQAV-UHFFFAOYSA-N 346.394 2.631 0 50 EFAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1nc2cc(F)ccc2[nH]1 299798269 XKFZIAHYQHYZBX-LLVKDONJSA-N 344.394 2.514 0 50 EFAA CC[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccnn1C 299781306 DNRDUIANNYQLGY-CYBMUJFWSA-N 330.388 2.788 0 50 EFAA CCCc1nc(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)cs1 299783186 KEFIVNGTZQWIFW-QGZVFWFLSA-N 344.484 2.944 0 50 EFAA C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)c1cnn(-c2ccc(F)cc2)c1 299768153 GOSTWSNNVKVFJN-PBFPGSCMSA-N 331.391 2.740 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)CCn1c(C)nc2ccccc21 827823016 FUHCZRAVGXUQRA-UHFFFAOYSA-N 339.443 2.824 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCc2nncn2CCc2ccccc2)n1 821508411 QSFAIDBNPKYIMB-MRXNPFEDSA-N 338.459 2.512 0 50 EFAA O=C(NCc1cn(-c2ccccc2)nn1)c1cc(F)c2ncccc2c1 1336373475 NIPVAHPIPYKUPU-UHFFFAOYSA-N 347.353 2.885 0 50 EFAA CCn1c(NCc2cc3c(cn2)OCCO3)nc2cc(F)ccc21 1461828930 JUGSEHWIEPEMKN-UHFFFAOYSA-N 328.347 2.974 0 50 EFAA Cc1cccc(OC[C@H](O)CNc2cc(N3CCCCC3)ncn2)c1 301234595 LFHDTNCEQVQLFA-MRXNPFEDSA-N 342.443 2.627 0 50 EFAA CCc1nc(N)cc(NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)n1 170598865 WTFPKMCDJMQAHW-OLZOCXBDSA-N 347.488 2.557 0 50 EFAA CCNC(=O)CC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 170610047 WJUYAFPHZZCOOW-UHFFFAOYSA-N 341.289 2.825 0 50 EFAA CCN(C(=O)CN1CCC(=O)[C@@H](C)C1)c1nc2ccccc2s1 170601532 BFYUBGQPODYOBE-LBPRGKRZSA-N 331.441 2.560 0 50 EFAA CCOC(=O)c1csc([C@H]2CN(Cc3ccccc3)CCO2)n1 171088038 JSRLRUNCXSEDAJ-OAHLLOKOSA-N 332.425 2.893 0 50 EFAA CCOc1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cc(Cl)c1O 187911728 TXMOWCNUTORZBW-QMTHXVAHSA-N 327.808 2.941 0 50 EFAA Fc1cccnc1OC1CCN(Cc2nc(CC3CC3)no2)CC1 639613911 ASZRKPJQJVIOJH-UHFFFAOYSA-N 332.379 2.600 0 50 EFAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC=Cc2ccccc21 190104236 CSKAFEGUYWSBKO-UHFFFAOYSA-N 331.379 2.655 0 50 EFAA CN1CCC(Oc2ccc(CNc3ncccc3C(=O)O)cc2)CC1 647448065 RILBQRIMAQYRPF-UHFFFAOYSA-N 341.411 2.865 0 50 EFAA CN([C@@H]1CCN(c2ccccc2F)C1=O)[C@@H](C(=O)O)c1ccsc1 652413902 XOKADHJYJULQSZ-HUUCEWRRSA-N 348.399 2.750 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)N(C)CC2=CCCOC2)c1 666968220 FAXIOTOWGNLNCN-UHFFFAOYSA-N 346.431 2.663 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 778135978 IEWOVVQOFUICJR-CXAGYDPISA-N 349.427 2.826 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 1506420199 YDMPZNLIGFNZCY-INIZCTEOSA-N 326.444 2.554 0 50 EFAA c1ccn2c(N3CCC4(CC3)OCCc3ccsc34)nnc2c1 1704327845 IBHFXRYIQHXISD-UHFFFAOYSA-N 326.425 2.859 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCC2(CC1)OCCc1sccc12 1704297684 CRHVHITYUNCGKE-UHFFFAOYSA-N 345.468 2.885 0 50 EFAA COc1cc(Br)c(CN[C@@H]2CCO[C@@H]2C)cc1OC 134237224 CBHZMUUXPLSMRD-BXKDBHETSA-N 330.222 2.733 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccc3ccccc3n2)CC12CCOCC2 1775983853 UFORBZKYNIZMNZ-INIZCTEOSA-N 326.396 2.548 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Br)o1 248127382 MBGVEGNTQNVRFY-WDEREUQCSA-N 327.222 2.741 0 50 EFAA C[C@H](NC[C@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 5073473 FCYDSJVNZCQEOT-RYQLBKOJSA-N 343.423 2.555 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)o1 12058225 CPTBSDCLNDHKEX-CQSZACIVSA-N 334.416 2.543 0 50 EFAA COc1ccc(CCN2CCC(CN(C)Cc3c[nH]cn3)CC2)cc1 12446591 DAFDPTYQKDUPHV-UHFFFAOYSA-N 342.487 2.805 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 14181624 ZAWGQJPUTDYZQA-UHFFFAOYSA-N 336.351 2.760 0 50 EFAA CCCn1c(C)c(CC(=O)NC(C)(C)CO)c2c1CC(C)(C)CC2=O 14956703 IPMOUPXUQCXXDB-UHFFFAOYSA-N 348.487 2.791 0 50 EFAA Cc1cccc(CN2CCC[C@](O)(CNCc3ccccc3)C2=O)c1 15076887 RMUZGRUWPVLVFZ-NRFANRHFSA-N 338.451 2.638 0 50 EFAA CN1CCN(c2ccc([C@H](O)c3ccc(Cl)cc3)cc2N)CC1 16651791 WDKQMONFNDCHNZ-GOSISDBHSA-N 331.847 2.756 0 50 EFAA OCC[C@@H]1CN(Cc2cccnc2)CCN1CCCc1ccccc1 19781614 CHASQNIBHGTFIE-OAQYLSRUSA-N 339.483 2.583 0 50 EFAA Cc1cccc2cc(CN3C[C@@H](O)[C@H](Cc4ccncc4)C3)c(O)nc12 1857738392 GELBWZSZYFIESB-IEBWSBKVSA-N 349.434 2.679 0 50 EFAA OCCCN1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857738496 KMQLSBNVMFVILO-VQTJNVASSA-N 341.407 2.912 0 50 EFAA CC(C)C(=O)N[C@H]1CCCN(Cc2ccc(Br)o2)C1 225394555 BOEZALSVRLMWQS-NSHDSACASA-N 329.238 2.779 0 50 EFAA CCc1ccnc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)c1 432760904 XVCBDUAAVZHEOZ-DOTOQJQBSA-N 328.416 2.511 0 50 EFAA CCOc1ccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)cc1OCC 347423881 ZQXBXRMTYKNFMQ-AWEZNQCLSA-N 345.399 2.805 0 50 EFAA O=C(c1ccc2nccn2c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348268759 TYLBZXWFWWLVOE-BBRMVZONSA-N 343.333 2.561 0 50 EFAA Cc1ccccc1[C@H]1CN(S(=O)(=O)CCC(F)(F)F)CCO1 375186512 CJUBDVVNLZQGQF-CYBMUJFWSA-N 337.363 2.651 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCCC[C@@H]([C@H]3CCOC3)C2)c1 903962256 MWCQFSBXGCRGBW-SOLBZPMBSA-N 333.428 2.960 0 50 EFAA CCN1CC[C@@H](NC(=O)c2ccc(NCc3ccsc3)cc2)C1=O 908065288 VPWMPZCDFNOTOO-MRXNPFEDSA-N 343.452 2.711 0 50 EFAA Cc1nc(NCc2ncnn2C(C)C)c2cnn(-c3ccccc3)c2n1 811841240 XWPRNFREPWYZOS-UHFFFAOYSA-N 348.414 2.908 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCCc2cc(C3CC3)on2)cc1 1875380556 SAYNCGMXVMVYRK-UHFFFAOYSA-N 339.395 2.673 0 50 EFAA O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(C2(O)COC2)cc1 1875392670 NFJZSEFITGAGEH-UHFFFAOYSA-N 343.810 2.977 0 50 EFAA CS(=O)(=O)c1cccc(NC(=O)Cc2ccc3ncccc3c2)c1 1875316925 IXVLILQWOCRGIG-UHFFFAOYSA-N 340.404 2.820 0 50 EFAA CC(C)n1ccc(=NC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)[nH]1 1875395565 DZVNFFQIBJNCEY-YJLNNSPDSA-N 341.459 2.970 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)c1ccc2nc[nH]c2c1F 896094566 LRVFLSOCPLPIOX-UHFFFAOYSA-N 330.388 2.967 0 50 EFAA Cc1ccc(OCCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)cc1C 1775961110 WFZPBANWTIEYRP-CQSZACIVSA-N 328.416 2.511 0 50 EFAA Cc1ccc([C@@](C)(CO)NC(=O)c2cccc(CC(=O)O)c2)cc1C 2325788435 GIVWWRYJUIDDGE-HXUWFJFHSA-N 341.407 2.568 0 50 EFAA NCc1nc[nH]c1C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 2325795895 CYHUOZBXJWZVBC-JSGCOSHPSA-N 332.835 2.978 0 50 EFAA C[C@@]1(NCc2nc3ccc(Br)cc3o2)CCC[C@H]1O 2325798766 YOOVAGFBUQRBJA-TZMCWYRMSA-N 325.206 2.983 0 50 EFAA CN(CCc1nn[nH]n1)C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 2325806976 RKLYDOSSSKJKNQ-LSDHHAIUSA-N 347.850 2.828 0 50 EFAA CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N2CCCCC2)[C@H]1O 293718 HZFAZVKVQKOGJZ-FUHWJXTLSA-N 329.396 2.852 0 50 EFAA biogenic Cc1cc2nnc(SCC(=O)N3CCCC3)n2c2ccccc12 2696199 FSTGKCJXSMBWAA-UHFFFAOYSA-N 326.425 2.905 0 50 EFAA O=C(NCCCCCCNC(=O)N1CCCCC1)N1CCCCC1 3997970 DXLJBAHAUYUXSC-UHFFFAOYSA-N 338.496 2.938 0 50 EFAA COc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1OC 4673548 NJRNPOHSQCOVIK-UHFFFAOYSA-N 332.444 2.538 0 50 EFAA Cc1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4855581 BLXZNDADYQNTKB-SFHVURJKSA-N 343.448 2.825 0 50 EFAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 100262127 RHNYHYPOWDOLBY-XJNFMUPTSA-N 337.375 2.731 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2ccn(C)n2)cc1 414079991 UDDDFBSOVQUXQN-INIZCTEOSA-N 330.476 2.992 0 50 EFAA CC[C@H](C)N(Cc1cccnc1)C(=O)CCc1c(C)nc(=O)[nH]c1C 55383657 VZJDTTRXQNYDAF-ZDUSSCGKSA-N 342.443 2.542 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 343341775 PNEZOVXJZIHDBE-HNAYVOBHSA-N 331.435 2.992 0 50 EFAA O=C(CSC[C@@H]1CCCCO1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 246405710 HXMWRXCEQOOAKF-XOSAIJSUSA-N 339.501 2.753 0 50 EFAA CCC(CC)n1ncc(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1C 343758923 VMRNGNIVZBUGJH-OAHLLOKOSA-N 337.464 2.819 0 50 EFAA O=C(Nc1cccnc1)c1ccc(Oc2ccc3nncn3n2)cc1 61719534 HQXBCZCINARAPF-UHFFFAOYSA-N 332.323 2.564 0 50 EFAA Cc1cccn2cc(CNC(=O)[C@@H](C)n3cnc4ccccc43)nc12 171821775 VMPIUFNLMXEWCL-CQSZACIVSA-N 333.395 2.870 0 50 EFAA COCc1nnc(NC(=O)CN2CCC[C@@H]2c2ccccc2C)s1 65417807 MAVFIEACOVAPJO-CQSZACIVSA-N 346.456 2.769 0 50 EFAA CCCn1cnc(NC(=O)c2ccc(CN3CCC[C@H]3C)cc2)n1 65495088 JZIDRWJDKNSIIG-CQSZACIVSA-N 327.432 2.925 0 50 EFAA C[C@H](CC(N)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 253404324 JQHHACHNIMPNSS-LLVKDONJSA-N 342.361 2.755 0 50 EFAA COc1ccc(Nc2nc(C(=O)N(C)c3ccn(C)n3)cs2)cc1 358466698 ZVHXSQQGOPVVMC-UHFFFAOYSA-N 343.412 2.905 0 50 EFAA CC(C)c1nc(NC[C@H](C)Oc2cccnc2)c2cnn(C)c2n1 72170071 FSEGZYNDBWKXGY-LBPRGKRZSA-N 326.404 2.761 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1ccn(C(F)F)n1 219543031 XWULUMBPDUROFI-UHFFFAOYSA-N 325.319 2.639 0 50 EFAA COC(=O)c1cc(Cl)cc(NC(=O)N[C@H]2CCc3cn[nH]c3C2)c1 253432300 YJUZQGFPKWUNJI-LBPRGKRZSA-N 348.790 2.529 0 50 EFAA Oc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CCCNC3)CCCC2 72481549 HCDNEDSOAGLBGA-UHFFFAOYSA-N 349.438 2.814 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cccc3c2OCO3)cn1 328631186 KFPDALRINVSZEZ-DOTOQJQBSA-N 329.400 2.642 0 50 EFAA Cc1cn(C2CCCCC2)nc1NC(=O)c1cn(C(C)(C)C)nn1 330043409 HFAOWJCSNVPPSI-UHFFFAOYSA-N 330.436 3.296 0 50 EFAA CNC(=O)CN(C)Cc1cc(CN2CCC(C)CC2)c(C)cc1C 215416820 NMURRNGLKZZDJR-UHFFFAOYSA-N 331.504 2.713 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)c1cc(S(C)(=O)=O)cs1 152873045 AFKIEQMMFKVTRX-UHFFFAOYSA-N 326.399 2.578 0 50 EFAA COc1ccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)nn1 153404812 LLPUOODKKFXWPT-UHFFFAOYSA-N 339.273 2.543 0 50 EFAA CN(C)c1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)cs1 72473157 LPLCIOBNQQCIET-UHFFFAOYSA-N 347.484 2.843 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)Nc1cnccc1-c1cccc(F)c1 364131098 GQASAARYPNEXCK-KRWDZBQOSA-N 327.359 2.837 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1cccn1 77524337 ANRRBXXYZXTRGV-HNNXBMFYSA-N 327.384 2.697 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)NOCCC(F)(F)F)sc2n1 155098661 WTBOASHTYPWZIW-UHFFFAOYSA-N 334.323 2.504 0 50 EFAA Cc1ccc(-n2nccc2NC(=O)CCCc2cccs2)nn1 155670724 NMTILBKNEBNGCJ-UHFFFAOYSA-N 327.413 2.994 0 50 EFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCC2 32101506 GGPYXVHSMVXOOR-KRWDZBQOSA-N 344.455 2.710 0 50 EFAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(F)c2)c1 71776482 BRSXXPCPUNYUNY-UHFFFAOYSA-N 337.372 2.878 0 50 EFAA CCCCCCN1CC2(CCN(C(=O)[C@H]3CCCO3)CC2)OC1=O 77342099 MKIYAEBAWVGOBH-OAHLLOKOSA-N 338.448 2.559 0 50 EFAA Cc1nc[nH]c1-c1nccn1CCc1csc(-c2ncccn2)n1 77470097 GMGDVLJNVJDNRD-UHFFFAOYSA-N 337.412 2.738 0 50 EFAA Cc1ccc2c(c1C)N(C(=O)[C@@H]1CC13CCS(=O)(=O)CC3)CCC2 333814659 HOTFSECRICVCIH-INIZCTEOSA-N 347.480 2.798 0 50 EFAA COC(=O)[C@](C)(NC(=O)c1ccc(F)c(Br)c1)C1CC1 173604919 TUDLVHDPFMIKJD-CQSZACIVSA-N 344.180 2.660 0 50 EFAA COC(=O)C(C)(C)CNC(=O)NCc1sccc1Br 176519923 NLKPMSQLHYNXBA-UHFFFAOYSA-N 349.250 2.509 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)n[nH]2)o1 77521509 LRSAOSZNNASHSM-LBPRGKRZSA-N 325.372 2.721 0 50 EFAA CCc1nc(C)cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 284594314 HWSBIQUEAVTKEJ-KBXCAEBGSA-N 328.464 2.576 0 50 EFAA CCCc1ccc(S(=O)(=O)N(C)Cc2noc(C3CC3)n2)cc1 416638542 BKBAELHPBXUGOM-UHFFFAOYSA-N 335.429 2.720 0 50 EFAA O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 129521209 JLQBTGBQNUUYCP-KRWDZBQOSA-N 346.814 2.885 0 50 EFAA O=C(CC/C=C/c1ccccc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286022013 AICVXCLZZDAHRG-INILTFMSSA-N 329.440 2.868 0 50 EFAA O=C(CSc1ccncc1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 14981533 KZVCPMRELPABDX-CQSZACIVSA-N 347.484 2.614 0 50 EFAA COCCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 458275564 CEAKIUBHJXNHIX-UHFFFAOYSA-N 326.412 2.767 0 50 EFAA CCC[C@@H](CNC(=O)N1CCC[C@](CO)(c2ccccc2)C1)OC 458912892 JFTFPMFXFVGDQG-HKUYNNGSSA-N 334.460 2.537 0 50 EFAA O=C(c1ccc(-c2ccc3cc[nH]c3c2)cc1)N1CCN(CCO)CC1 426473748 YJRPYZONMKUVMM-UHFFFAOYSA-N 349.434 2.585 0 50 EFAA CC(C)(C)OC(=O)[C@H]1OC2(CCCC2)O[C@@H]1C(=O)OC(C)(C)C 43199044 UDXZSVTXFJBQFH-RYUDHWBXSA-N 328.405 2.724 0 50 EFAA COc1ccccc1C(C)(C)NC(=O)Cc1ccc(C(=O)O)cc1 263325164 KCQGCWBSTYYNKV-UHFFFAOYSA-N 327.380 2.987 0 50 EFAA O=C(COc1ccc(F)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223909062 SKEAPYDMVMDRGE-AITUJVMLSA-N 333.403 2.914 0 50 EFAA COc1ccc(S(=O)(=O)CCN/C(O)=C2\N=NC3=C2CCC3)cc1 334159283 SVHGYPFXISCNNI-FOCLMDBBSA-N 349.412 2.689 0 50 EFAA CN1CCC(c2ccccc2)(c2n[nH]c(C3CCOCC3)n2)CC1 97823240 YEFLKNCVYRSKIZ-UHFFFAOYSA-N 326.444 2.710 0 50 EFAA O=C(Nc1cccc2nsnc12)N1CCC[C@H](c2ccncn2)C1 96161978 YTXPMYKVXLVSNF-NSHDSACASA-N 340.412 2.893 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCN2CCCC2)C1 95361853 WMWJEZUHJIAQHA-KRWDZBQOSA-N 332.492 2.875 0 50 EFAA CC[C@H](C)Oc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccn1 180581842 AONZOICKQQPTKT-GXTWGEPZSA-N 329.404 2.744 0 50 EFAA COc1ccccc1CNC[C@H](C)N1CCN(c2ccccc2)CC1 237175937 JGFUSLCLTPOIMC-SFHVURJKSA-N 339.483 2.996 0 50 EFAA O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)NC1CC1 91678086 ZDLOUFVJGBLCMH-MRXNPFEDSA-N 342.487 2.656 0 50 EFAA O=[n+]1c(-c2c(F)c(F)c(F)c(F)c2F)cn(O)c2c1CCCC2 334157224 VONMOWKQMOAQDU-UHFFFAOYSA-N 333.236 2.881 0 50 EFAA N[C@H]1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)C1 237892844 QJWLVQNQMKVZQG-KBPBESRZSA-N 336.863 2.632 0 50 EFAA O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N1CCc2[nH]cnc2C1 96132482 CCMVAFRWQJKCRS-SFHVURJKSA-N 342.418 2.661 0 50 EFAA Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc([C@H]3C[C@H]3C)o1)C2 253599061 ZKHDDQHQOAJQKG-INWMFGNUSA-N 327.428 2.972 0 50 EFAA O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)Nc1cccnc1 252510246 ZFJUMMAQLUNUML-UHFFFAOYSA-N 343.402 2.533 0 50 EFAA COc1ccc(C)cc1NC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1940196146 NRKXLABUJDIQLL-WBVHZDCISA-N 341.411 2.778 0 50 EFAA CCc1nccn1C[C@H](C)NCc1nc(C)cc(C(F)(F)F)n1 584891144 KMPOEFWRFUAKSU-NSHDSACASA-N 327.354 2.741 0 50 EFAA Oc1cc([C@@H]2CCCN(Cc3cc(-c4ccccn4)no3)C2)ncn1 670457229 YFYVZQUQAMRIPW-CYBMUJFWSA-N 337.383 2.612 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N(CCO)Cc1ccc(F)cc1 952985381 BKWOHWLGARDWOP-UHFFFAOYSA-N 329.371 2.785 0 50 EFAA Nc1nc(Cl)c(Br)cc1I 66054164 PJYDRNBLKAWYNN-UHFFFAOYSA-N 333.354 2.684 0 50 EFAA in-vitro CC1CCC2(CC1)OC[C@H](CNC(=O)Cc1ccc3c[nH]nc3c1)O2 408514421 USMHUYDZZQZVTP-LWGFOQHQSA-N 343.427 2.543 0 50 EFAA COc1cccc2c1CC[C@H]2NC(=O)NCc1cccnc1N(C)C 164455880 PQWXBLYTTBWZKN-MRXNPFEDSA-N 340.427 2.643 0 50 EFAA NC(=O)[C@@H]1CCCCN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 171041891 UACSQRZYRBLQEU-LBPRGKRZSA-N 346.456 2.517 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)on3)CCO2)o1 275405521 QGMMRQQOJIUCAG-LBPRGKRZSA-N 348.403 2.692 0 50 EFAA C[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1)c1cccnc1 186603414 URRPVHQBVOWWBC-APWZRJJASA-N 338.455 2.751 0 50 EFAA Cc1cc(CCNC(=O)N2CC[C@@H](CN3CCCC3)C2)cc(C)c1O 190922901 IPIUCMAZLHOJTE-SFHVURJKSA-N 345.487 2.679 0 50 EFAA CO[C@@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)nc2C)C1 191553668 XDHMLQXGARVERP-NVXWUHKLSA-N 328.416 2.547 0 50 EFAA O=C1CCCCCCN1CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 194257273 DKWBFLWYLHEGSR-KRWDZBQOSA-N 348.443 2.580 0 50 EFAA O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 674004170 KNYUSRQOUYEJCX-KOLCDFICSA-N 330.306 2.878 0 50 EFAA Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1cc(C(N)=O)sc1C 676186183 GXZBPZWAWCFWJE-UHFFFAOYSA-N 348.428 2.509 0 50 EFAA COc1cc(C)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1 679770320 NMEGMVZNDKPXNP-HNNXBMFYSA-N 341.459 2.624 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCN21 1615734355 DLKLSAJWBIJUDG-SJORKVTESA-N 336.863 2.594 0 50 EFAA C[C@@H]1CN(CC(=O)NCCCO[C@H](C)c2ccccc2)[C@H](C)CCO1 1655120595 RBZPKKMAAFLMHE-KZNAEPCWSA-N 348.487 2.770 0 50 EFAA O=C(Cc1cccnc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 12300329 OLUKQWXZBRPMMQ-UHFFFAOYSA-N 336.370 2.738 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@H](CCc2c(F)cccc2F)C1 12431460 CFDSKRSSKMBNMT-CQSZACIVSA-N 348.397 2.818 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1 19774100 CCHDVADNBVJEJN-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CN(Cc1cccc2cnccc12)[C@@H]1CCOC2(CCNCC2)C1 1857669884 AROMNVQNXPRHNY-GOSISDBHSA-N 325.456 2.968 0 50 EFAA CCOCc1cc(-c2nccn2C[C@H]2CC(=O)N(C)C2)ccc1OC 1857673275 MVNPZLFQGZTPNU-AWEZNQCLSA-N 343.427 2.574 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1c[nH]nc1C1CCCCC1)C2 1857679168 GYQBZKGYYZWVGK-GOSISDBHSA-N 346.431 2.514 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225683997 LRMLIQSRQAATHH-WMZOPIPTSA-N 329.371 2.929 0 50 EFAA CC(C)(CNC(=O)c1ccc(-n2cncn2)nc1)c1cccc(F)c1 118353204 JOIDABIZCLXODX-UHFFFAOYSA-N 339.374 2.509 0 50 EFAA Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cnn1-c1cccc(Cl)c1 237752494 TZLOKJVWNPNNSR-LBPRGKRZSA-N 347.802 2.771 0 50 EFAA CCC(CC)n1nccc1C(=O)N[C@@H](C(=O)OC)c1cccc(O)c1 343139320 GBOHCRIQOZEVFG-MRXNPFEDSA-N 345.399 2.594 0 50 EFAA C[C@H](c1nnnn1C1CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 248914443 ZCYMOEYASYCITL-IAQYHMDHSA-N 333.823 2.796 0 50 EFAA Cc1ccc(C(F)(F)F)cc1NC(=O)c1cn([C@H]2CCOC2)nn1 252494537 NXYRDKHWYZGKPQ-NSHDSACASA-N 340.305 2.819 0 50 EFAA COc1ccc([C@H](NC(=O)Cc2ccc3c(c2)CCC3)C(=O)O)cc1 262253788 ZSGQBLFARRKRQA-IBGZPJMESA-N 339.391 2.669 0 50 EFAA COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)[C@H](C)CSC 161709817 XCFSSYKVURGUQG-OQPBUACISA-N 349.374 2.776 0 50 EFAA COc1cccc([C@H](O)CNC(=O)N[C@@H](C)c2cccc(OC)c2)c1 264682019 AXGBGAQLJDPZFH-SCLBCKFNSA-N 344.411 2.798 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)NC(C)(C)c2ccccc2)ccn1 265410910 DUKSXRKDUVDSMM-UHFFFAOYSA-N 326.400 2.840 0 50 EFAA CN(C[C@H](O)C1CC1)C(=O)c1ccccc1-c1ccccc1C(=O)O 911500979 PWRAEEOGDRFCFK-SFHVURJKSA-N 339.391 2.895 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 818027504 XHQSPDIJBGICST-VIFPVBQESA-N 342.378 2.546 0 50 EFAA CCc1nc2c(C(=O)N3CCOC[C@H]3c3ccc(C)o3)ccnc2[nH]1 933039260 AYNZIANUHYHUAD-ZDUSSCGKSA-N 340.383 2.635 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CSC[C@@H]1CCCCO1 857938725 YVFBINSTXJGNHY-ZFWWWQNUSA-N 348.468 2.658 0 50 EFAA COCCOCn1cc(-c2csc(CCC(F)(F)F)n2)nn1 1875272270 MBTPZTMPWUDLBC-UHFFFAOYSA-N 336.339 2.517 0 50 EFAA C=CC(=O)N1CCC[C@H](C(=O)NC2(Cc3ccc(F)cc3C)CC2)C1 1875301466 LIWWYGVRIKCKGF-INIZCTEOSA-N 344.430 2.750 0 50 EFAA COc1cc(C(F)(F)F)ncc1NC(=O)N1CCCc2n[nH]cc21 879365546 NVKFUWJIVVMOKA-UHFFFAOYSA-N 341.293 2.817 0 50 EFAA COc1cccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)c1F 886052284 WGMHOQYJAPNPHI-GXTWGEPZSA-N 348.340 2.866 0 50 EFAA Cc1cc(NC(=O)NCCc2nc(-c3ccco3)n[nH]2)nn1C(C)C 1775986531 MRDMSUZRZCXXOL-UHFFFAOYSA-N 343.391 2.515 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C 2904162 TVQTWEZLNOFBGS-SGTLLEGYSA-N 333.384 2.939 0 50 EFAA CC[C@H](NC(=O)N1CCN(C)C(=O)[C@H]1c1ccccc1)C(F)(F)F 2325789864 SNIYUCAZMYEXIO-QWHCGFSZSA-N 343.349 2.552 0 50 EFAA CCOc1ncccc1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1 2325818951 INGSCVSNVWOJOU-MRXNPFEDSA-N 346.452 2.876 0 50 EFAA Cn1ncc(-c2ccccc2)c1NC(=O)CCN1CCCCCC1=O 2356138055 GFDGOICOBPLHKN-UHFFFAOYSA-N 340.427 2.818 0 50 EFAA CSc1cccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c1 2356141810 QNQJXXPYTBKTSS-ZDUSSCGKSA-N 326.425 2.689 0 50 EFAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2ccccc2C)c(=O)n1 55401225 DEPUJADXCJORKO-GOSISDBHSA-N 339.439 2.922 0 50 EFAA COc1ccccc1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225683037 LWETUNFBWJDGET-IAGOWNOFSA-N 329.371 2.711 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1 55182449 DWETXPADSBNUJL-ZDUSSCGKSA-N 342.443 2.747 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2C(C(C)(C)C)=C[C@@]12C(C)(C)C 104293662 OBANCIHWQWFCQW-WFTHSTBKSA-N 329.444 2.649 0 50 EFAA c1ccc(Cc2nnc(N3CCC[C@H]([C@H]4CCNC4)C3)s2)cc1 420264026 CMJGDJNEFKXBNN-HOTGVXAUSA-N 328.485 2.955 0 50 EFAA CCSc1nc(CC(=O)N[C@@H](COC)c2ccccn2)cs1 55152973 AMZGUTAFWINFPD-ZDUSSCGKSA-N 337.470 2.697 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)CCn1nnc(-c2ccccc2)n1 55254581 ZMBXJLYCDJUOTK-ZDUSSCGKSA-N 339.403 2.536 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)C[C@H]2CCO)cc(OC)c1 104526931 ZSKZHQFIZUCABF-GOSISDBHSA-N 348.487 2.515 0 50 EFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCCN)CCO3)s1 67908687 MXGUPRKXQZPGKG-UHFFFAOYSA-N 346.452 2.889 0 50 EFAA CC[C@@H](NCCc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1 67673829 QSXMONUNMBUVIG-MRXNPFEDSA-N 326.444 2.838 0 50 EFAA CC(C)c1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)on1 67920488 YWOVKWNSABMJDR-HNNXBMFYSA-N 335.448 2.515 0 50 EFAA CCC[C@@H](C)c1n[nH]c2c1CN(C(=O)c1[nH]nc3c1CCC3)CC2 23506203 ZZBYAHAQETVAKK-LLVKDONJSA-N 327.432 2.724 0 50 EFAA CN(Cc1cc(Br)cn1C)[C@H]1CCN(C(C)(C)C)C1=O 425423079 NYHFJNCUIRIYNC-ZDUSSCGKSA-N 342.281 2.619 0 50 EFAA C[S@@](=O)C1(CNC(=O)N2CCCC[C@@H]2c2nccs2)CCC1 280787732 OKPZMSJSMROFTA-VERVWZFWSA-N 341.502 2.681 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2F)c1 65364462 OVZFUYUJPNJOJC-LLVKDONJSA-N 328.343 2.785 0 50 EFAA O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CC(CO)C1 122691355 DPVPCKVIFQTOGE-UHFFFAOYSA-N 342.342 2.893 0 50 EFAA CCn1ccnc(N2CCC(N[C@H](C)CCC=C(C)C)CC2)c1=O 328630370 JIOKTKMRQHJBIC-MRXNPFEDSA-N 332.492 2.957 0 50 EFAA O=C(Cc1ncccc1F)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 282026762 ARHOIVGFCMPGPZ-SFHVURJKSA-N 348.805 2.935 0 50 EFAA CCn1c(NC(=O)[C@@]2(C)CCN(C(C)=O)C2)nc2cc(C)ccc21 361987445 SKFNKNPFHNQXFO-SFHVURJKSA-N 328.416 2.562 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CN(C)c1ccccc1 77390082 JQSVOOJXSOAPAY-UHFFFAOYSA-N 334.423 2.967 0 50 EFAA Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1O 77375888 IWWFZTKKEVFIEU-FQEVSTJZSA-N 342.439 2.708 0 50 EFAA O=C(NCCN1CCc2ccccc21)c1ccc([C@@H]2CCCNC2)cc1 215285885 XLMHVONVAHGHJB-HXUWFJFHSA-N 349.478 2.946 0 50 EFAA CCn1nc(C)c(CCNC(=O)c2cccc(-n3cccn3)c2)c1C 77538530 JYVCCOPWOORLFN-UHFFFAOYSA-N 337.427 2.678 0 50 EFAA CCc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)o1 127882036 YKGJUUHGFCEQNU-QPGDCOPXSA-N 342.439 2.857 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CSC(=O)N2)c(OCC(F)(F)F)c1 155329766 NAULXILVXVIYCP-VIFPVBQESA-N 334.319 2.700 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)[C@@H]3CC=CCC3)CC2)cn1 72420953 AVCLEHIODRQYHY-OAHLLOKOSA-N 344.411 2.571 0 50 EFAA CCOC(=O)c1cnc2c(cnn2C)c1N1CCCC[C@H](SC)C1 128839529 VUVQBSQRSYOKOH-LBPRGKRZSA-N 348.472 2.867 0 50 EFAA O=c1cc(CNCc2[nH]nc3c2CCC3)[nH]c2ccc(Cl)cc12 77518778 DVQAAYUFMGTOPF-UHFFFAOYSA-N 328.803 2.683 0 50 EFAA Cc1c(CCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cnn1C 128986638 YTCVRORQZJJGJC-FQEVSTJZSA-N 334.423 2.962 0 50 EFAA NC[C@H]1CCC[C@H]1NC(=O)C1(c2ccccc2Cl)CCOCC1 237809194 HLCWRYANRWRHST-CZUORRHYSA-N 336.863 2.632 0 50 EFAA Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1Br 37385859 KPQQZKKQCPQCFN-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA COc1ccc(Cl)cc1CN1CCN(C(=O)NC(C)(C)C)CC1 13324438 QICJAOPBEVMRMA-UHFFFAOYSA-N 339.867 2.974 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 262210936 UEERZWBVFRTBFJ-QGZVFWFLSA-N 343.354 2.667 0 50 EFAA CCc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)n2nccc2n1 72475515 RQGLABCGHLUXSW-UHFFFAOYSA-N 340.402 2.919 0 50 EFAA O=C(CCc1cnc[nH]1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 373740165 BZMHFTXAQOJBNT-OAHLLOKOSA-N 337.427 2.631 0 50 EFAA O=C(CC/C=C/c1ccccc1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286022040 AICVXCLZZDAHRG-TVAWBJKKSA-N 329.440 2.868 0 50 EFAA C[C@H](N[C@@H]1CCc2ccc(Br)cc21)C(=O)NCCF 338020613 MKAFFXKOTRTGGB-TVQRCGJNSA-N 329.213 2.500 0 50 EFAA O=C([C@H]1CCC[C@@H](O)C1)N(CCCO)Cc1ccc(Cl)cc1 223703627 FRGYRCYGWGPKOH-GOEBONIOSA-N 325.836 2.602 0 50 EFAA O=C(Cc1ccncc1)N1CCC([C@H](O)CCc2ccccc2)CC1 222714623 BAYFKCPDMXWOKC-HXUWFJFHSA-N 338.451 2.856 0 50 EFAA CCn1cc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c(C)n1 17068413 IXOAAVGTFJLCTH-JTQLQIEISA-N 332.429 2.988 0 50 EFAA COc1cccc(OC)c1C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C 222649761 BJUHDOOUHBZRED-CABCVRRESA-N 349.427 2.574 0 50 EFAA CCc1nnc(CN(CC)C(=O)c2cc(OC)nc3ccccc23)o1 426420643 MFPIFGLLXYIFDR-UHFFFAOYSA-N 340.383 2.851 0 50 EFAA CCN(Cc1nc(COC)no1)C(=O)NC12CC3CC(CC(C3)C1)C2 426442495 GBBSVOMKBUKQOZ-UHFFFAOYSA-N 348.447 2.716 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OCCN)cn1 426712290 YZRHBADDJAWBPD-GFCCVEGCSA-N 333.819 2.872 0 50 EFAA CC(C)N1C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426511617 HZTHKMXHHMIEGF-SFHVURJKSA-N 343.471 2.510 0 50 EFAA Cc1nccc(-c2cccc(NC(=O)[C@@H](C)N3CCSCC3)c2)n1 179156034 MHYYGTAUQHANHK-CYBMUJFWSA-N 342.468 2.828 0 50 EFAA Cn1c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc(Cl)c1Cl 179339150 ZYAWFPYNGVMLDH-VIFPVBQESA-N 328.203 2.817 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)C1CCN(C(C)C)CC1)nn2C 95355149 DJZXAIUVOPGUBU-UHFFFAOYSA-N 328.460 2.618 0 50 EFAA CCOCc1nc([C@@H](C)n2nc(C)cc2C)n(C2CCN(C)CC2)n1 95499930 HXOGGEROKWGWSP-OAHLLOKOSA-N 346.479 2.504 0 50 EFAA CC[C@H](COC)NC(=O)N(CC)CCc1nc2ccc(C)cc2[nH]1 426531071 WRFGNXUYCXHRQL-CQSZACIVSA-N 332.448 2.870 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 91586928 PTXPGZLVWJRNHZ-LJQANCHMSA-N 331.456 2.664 0 50 EFAA CCC(=O)N1CCC[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)C1 96164241 DYCZATWRYQBQLZ-GFCCVEGCSA-N 325.372 2.729 0 50 EFAA CCn1nc(C)c(CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c1C 91410666 ITBTYCRDFBFDIB-ZWKOTPCHSA-N 345.418 2.959 0 50 EFAA O[C@H](CN1CCc2ccc(-c3ccccc3)cc2C1)Cn1cccn1 295777957 TXTNHSFBZXFLBS-OAQYLSRUSA-N 333.435 2.969 0 50 EFAA COCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1ccccn1 244884473 YNHZFSAFLCQBTF-UHFFFAOYSA-N 331.391 2.616 0 50 EFAA CC[C@H](NCc1cc(F)ccc1F)c1cccc(S(N)(=O)=O)c1 181724172 WNVBVOVGOVRTPE-INIZCTEOSA-N 340.395 2.853 0 50 EFAA CCc1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CCCC4)ncn3)C2)[nH]1 244893046 YUJPIPPUKFJTNI-OTVXOJSOSA-N 339.443 2.643 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(O)nc2ccccc12 253535510 XXNKFWZJOROIIV-QHRIQVFBSA-N 349.390 2.577 0 50 EFAA CN1C[C@@H](C(=O)Nc2ccnn2-c2ccccc2)[C@H](C(F)(F)F)C1 299741534 FPVJWJGSGUBGFZ-CHWSQXEVSA-N 338.333 2.551 0 50 EFAA CN(CCC(=O)Nc1ccc(F)c(Cl)c1)CC1(CO)CCC1 252502416 UQDALAPIACBPIQ-UHFFFAOYSA-N 328.815 2.902 0 50 EFAA CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1 534660276 DGTUACGVEASUPK-UHFFFAOYSA-N 349.438 2.966 0 50 EFAA COc1ccc(C)c(NC(=O)N2CCN(CC(F)(F)F)CC2)c1 299800326 WUDOJUTZBFYEAD-UHFFFAOYSA-N 331.338 2.715 0 50 EFAA COc1ccccc1CN1C[C@@H](C(=O)NCC2=CCCCC2)CC1=O 299762635 XYUIBBPTAVWNPH-KRWDZBQOSA-N 342.439 2.660 0 50 EFAA Cc1noc([C@@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCO3)n1 584889691 FCSHCLXXZOHSOX-HNNXBMFYSA-N 342.399 2.750 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)c2ccccc2F)c1C 824424441 ZGWKQXCGMOTGCZ-UHFFFAOYSA-N 330.359 2.763 0 50 EFAA O=C(NCCCN1CCCC1=O)[C@H]1CCCc2c1[nH]c1ccccc21 828264970 ZWUHOUOOOAZDKY-INIZCTEOSA-N 339.439 2.717 0 50 EFAA O=c1c2ccccc2nc(NC[C@H]2CCc3ccccc32)n1CCO 1335432055 GKTGDHXJAWONKC-OAHLLOKOSA-N 335.407 2.531 0 50 EFAA CCCn1c(C)nc2cc(NC(=O)[C@@H]3CC(=O)N(CC)C3)ccc21 952971625 HTKOGYARTZDXMB-CYBMUJFWSA-N 328.416 2.562 0 50 EFAA CC1(C)C[C@H](CNc2ccc3nnc(-c4ccncc4)n3n2)CCO1 631306407 XRGHDDLSFSQYKR-CYBMUJFWSA-N 338.415 2.803 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3c(Cl)nc4ccccn34)O2)n1 275260250 HUTAPAXEGYTQOI-YPMHNXCESA-N 347.806 2.689 0 50 EFAA CCc1nc2cc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)ccc2o1 186975120 JMTPPRSRQYNHKT-LBPRGKRZSA-N 348.424 2.544 0 50 EFAA CC(C)Cc1cc(C(=O)NC2CCC(O)(c3cccnc3)CC2)[nH]n1 186498727 SOVFFGFQBYUOOB-UHFFFAOYSA-N 342.443 2.563 0 50 EFAA 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Cc1sc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1Br 424832771 ZAZHQRNXNQXGME-SNVBAGLBSA-N 345.262 2.606 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2ccccc2CC)CC[C@@H]1O 1704342159 JMDQXWNHZACPNP-HKUYNNGSSA-N 335.444 2.566 0 50 EFAA COC(C)(C)CCC[C@@H](C)CCN(CCO)Cc1cncn1C 1704353737 QZQZYZABKSQINI-MRXNPFEDSA-N 325.497 2.836 0 50 EFAA CC[C@H](C(=O)O)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1 1772811956 CLGBPBFKTKDPSI-GOSISDBHSA-N 340.423 2.851 0 50 EFAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 12002101 BKFAMDNNRPUVHR-UHFFFAOYSA-N 334.372 2.753 0 50 EFAA CN(Cc1ccno1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12076110 FMGMNZSEKICTGG-CQSZACIVSA-N 333.432 2.594 0 50 EFAA CC(C)(C)CN1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 14976886 HIONOLBCLJUIIY-HNNXBMFYSA-N 333.480 2.634 0 50 EFAA CCN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(C)(=O)=O 16648491 KIDPJTNVNGJNMJ-UHFFFAOYSA-N 344.436 2.675 0 50 EFAA Cc1nn(C)cc1-n1ccnc1-c1ccc(OCCCN(C)C)cc1 1857691457 MBWVCYKUUJAEIV-UHFFFAOYSA-N 339.443 2.912 0 50 EFAA O=C1CCOC2(CCN(Cc3c(Cl)cccc3Cl)CC2)CN1 1857733768 XTRCYWOUIDHXRS-UHFFFAOYSA-N 343.254 2.865 0 50 EFAA CC(=O)NCC1CCN(c2cc(C)nc(-c3cccs3)n2)CC1 413079087 UKAQZHHAQKGROE-UHFFFAOYSA-N 330.457 2.866 0 50 EFAA CCS(=O)(=O)CCn1ccc(NCc2ccc(C)c(Cl)c2)n1 225522224 AGRXRZIYIUEGMX-UHFFFAOYSA-N 341.864 2.892 0 50 EFAA Cc1noc(C)c1CNC(=O)Nc1ccnn1Cc1ccc(F)cc1 119581638 ODYYXGMOSIPUBE-UHFFFAOYSA-N 343.362 2.997 0 50 EFAA COC1(CNC(=O)NC[C@@H]2CCCc3ccccc32)CCOCC1 119820267 ZYMWVCNAJFBJNK-INIZCTEOSA-N 332.444 2.601 0 50 EFAA Cc1n[nH]c(C)c1CN(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328629458 IGEZHQHWVMBZCT-GFCCVEGCSA-N 341.381 2.936 0 50 EFAA CO[C@](C)(CNC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 459006433 FGSJAYPAXVJVAD-GOSISDBHSA-N 332.444 2.760 0 50 EFAA Brc1cncnc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 367268644 AUWZZVZUEYLQJE-SNVBAGLBSA-N 349.236 2.619 0 50 EFAA Cc1ccccc1[C@H](C)CC(=O)N1CCCN(C(=O)C2CC2)CC1 158410927 PYPJURBKNPWENR-MRXNPFEDSA-N 328.456 2.960 0 50 EFAA C[C@H]1[C@@H](O)C[C@H]2CC[C@H]1N2Cc1ccc(C(=O)O)c2cccnc12 903911893 RTCZOHWGKUKPBM-ZPUIDXCVSA-N 326.396 2.667 0 50 EFAA Cc1cc(N(C)C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)ccn1 904287670 XGXVKBBLKGELBH-UHFFFAOYSA-N 349.316 2.967 0 50 EFAA Cc1cc2c(cc1CN1CCC3(CC1)C[C@@](C)(O)CCO3)OCO2 1704325488 NCROAPUCENHXPV-SFHVURJKSA-N 333.428 2.620 0 50 EFAA Cn1c(CCc2ccccc2)nnc1COC(=O)[C@H]1Cc2ccccc21 835603584 IDFNTPBNCCEATI-SFHVURJKSA-N 347.418 2.983 0 50 EFAA CCc1cccc(OC[C@@H](O)CNCC[C@H](O)c2ccccc2)c1 843090349 XOKPTUSTLLSQMX-ICSRJNTNSA-N 329.440 2.702 0 50 EFAA C/C(=C\C(=O)N1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1)c1ccccc1 855974796 BLCLYNHKHHOALQ-UMBJVVCDSA-N 327.384 2.770 0 50 EFAA Cc1nn(C)c(Cl)c1-c1noc([C@H](C)NC(=O)c2ccoc2)n1 952881900 DSBHYWLBVITVTE-QMMMGPOBSA-N 335.751 2.516 0 50 EFAA CC(C)c1ncc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cn1 1875293855 FRZYZPRGDKILPX-NWDGAFQWSA-N 343.431 2.618 0 50 EFAA CC(=O)N1Cc2ccc(NCc3ccnn3[C@@H]3CC3(F)F)cc2C1 1875284778 MBLSMQSQASNMEK-MRXNPFEDSA-N 332.354 2.937 0 50 EFAA COc1cc([C@H]2CCN(C(=O)CC3(C(=O)O)CC3)C2)cc(F)c1F 1875319154 QSNORPUNIRADHG-JTQLQIEISA-N 339.338 2.544 0 50 EFAA C=CC(=O)N[C@@H]1CCCN(C(=O)/C(C)=C/c2ccc(F)c(F)c2)C1 1875389456 PFRSZEPTZLRUTO-BRADTZPFSA-N 334.366 2.661 0 50 EFAA CC(C)c1nc(-c2noc([C@H]3CCc4nnn(C)c4C3)n2)cs1 888101786 OCZWTDKMPRFPPW-VIFPVBQESA-N 330.417 2.718 0 50 EFAA C[C@@H]1C[C@@H](NCc2sc(Br)c3c2OCCO3)CCO1 1775997796 MPGFQGUHMLSUOL-BDAKNGLRSA-N 348.262 2.939 0 50 EFAA Cc1cc(=O)oc2cc(OCc3nnnn3-c3ccccc3)ccc12 4743727 MTKUFWWGPRARDW-UHFFFAOYSA-N 334.335 2.656 0 50 EFAA biogenic CN1CCN(C(=O)c2c[nH]c3nccc-3c2)C[C@@H]1c1cccs1 2325810544 QPMQWGZFOGOLRM-CQSZACIVSA-N 326.425 2.705 0 50 EFAA Cc1ccoc1-c1nnc(NC(=O)[C@@H]2CNCc3ccccc32)s1 2325858272 GFVJJQOINYSCAH-CYBMUJFWSA-N 340.408 2.932 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC(F)F 123219 KOUYCXKLICMXNB-GFCCVEGCSA-N 342.367 2.644 0 50 EFAA COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 387175 OGVLVIMYKUCEGD-KRWDZBQOSA-N 347.436 2.820 0 50 EFAA O[C@H]1CCN(c2nccn3c(-c4ccc(C(F)F)cc4)cnc23)C1 2356140893 RARTZUHBDZEICO-ZDUSSCGKSA-N 330.338 2.905 0 50 EFAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356161471 WWBSCJQSTSYGCP-VIBAHUMZSA-N 346.446 2.871 0 50 EFAA Cc1cc(C)c2ccc(C(=O)N3CCC[C@@]34CCCNC4=O)cc2n1 2356164739 FEGBBSUBBAFOSH-HXUWFJFHSA-N 337.423 2.736 0 50 EFAA C[C@@H](NC(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccccc1 4502399 ODBIQJCKQATFRY-GFCCVEGCSA-N 344.798 2.943 0 50 EFAA O=c1[nH]c(NCCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2 4816231 BJMLULKDWFPTLM-UHFFFAOYSA-N 339.439 2.989 0 50 EFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccs2)c1 6697591 WWNCLSWQCFSJNJ-UHFFFAOYSA-N 346.408 2.624 0 50 EFAA CCCc1nnc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)s1 6701811 HHKKLGSUKWMCEO-UHFFFAOYSA-N 348.819 2.977 0 50 EFAA COc1cc(NC(=O)C2CCN(C(C)=O)CC2)c(OC)cc1Cl 6725441 FQQITRTXXJYXJZ-UHFFFAOYSA-N 340.807 2.554 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)NC[C@@H]3CSCCS3)cc12 225421676 DOPRCUCWMUNYOS-SECBINFHSA-N 340.445 2.894 0 50 EFAA C[C@@H](CN1CCN(C)CC1)Nc1ncc(Cl)cc1Br 225594108 QEBABRUJZPJKHR-JTQLQIEISA-N 347.688 2.545 0 50 EFAA CN1C(=O)c2ccc(C(=O)OC[C@H]3CCCC(F)(F)C3)cc2C1=O 225731793 PJWJMLQADNCHBB-JTQLQIEISA-N 337.322 2.895 0 50 EFAA CC[C@H](C(=O)N1CCCN(C)CC1)n1cc(C(C)=O)c2ccccc21 55243380 UOXOUGFTVZIVBB-GOSISDBHSA-N 341.455 2.959 0 50 EFAA COC(=O)C[C@@H]1Oc2ccccc2N(CCc2ccc(F)cc2)C1=O 55183169 LRMANFGFMLTDSY-KRWDZBQOSA-N 343.354 2.726 0 50 EFAA CCn1c([C@H]2CCCN(C(=O)c3cc(C(C)C)oc3C)C2)n[nH]c1=O 67881186 WICFGZLUCWSQPH-ZDUSSCGKSA-N 346.431 2.636 0 50 EFAA CSCC[C@@H](CO)NC(=O)c1cc(C)cc(Br)c1 134973155 RPTPPTWEDXHMEL-LBPRGKRZSA-N 332.263 2.601 0 50 EFAA Nc1ccnc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 135165497 VUDWNGYDZXFLGH-GFCCVEGCSA-N 329.473 2.774 0 50 EFAA Cc1c(Br)cc(C(=O)N(C(C)C)C(C)C)c(=O)n1C 253431807 IDLXYEQRAAWGTG-UHFFFAOYSA-N 329.238 2.715 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 248420591 XFSVFNMUKQPNDS-GDLHICMESA-N 339.382 2.804 0 50 EFAA CC(C)(C)c1csc(CNc2nccc(N3CCC[C@@H](O)C3)n2)n1 65454539 IJOBIHVQCFANLF-GFCCVEGCSA-N 347.488 2.804 0 50 EFAA COC(=O)c1c(NC(=O)CSC2=NCCS2)sc(C)c1C 5958934 CDJZVFWVEUUKJH-UHFFFAOYSA-N 344.483 2.926 0 50 EFAA O=C(C[C@H]1CCCCNC1=O)Nc1ccccc1[C@H](O)C(F)(F)F 253431084 NWLGWMMTFORRGS-YGRLFVJLSA-N 344.333 2.527 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)c2cc(=O)c3ccccc3o2)no1 67803824 WCVMXCPPUHQWMF-UHFFFAOYSA-N 341.367 2.614 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2cccnc2c1O 67834029 VSRPOLXTVVLMBG-INIZCTEOSA-N 337.379 2.795 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3cncc(C)c3)cnn2c1 67787562 KCWCVPICJUMSJS-UHFFFAOYSA-N 338.415 2.527 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C[C@H]1O 65504601 HZFFVIYRPRECHJ-HZPDHXFCSA-N 349.427 2.951 0 50 EFAA Cc1ccc(CN(C)C(=O)Nc2cccc(N3CCOCC3)c2)nc1 252494335 NSGZIJGUDFJVND-UHFFFAOYSA-N 340.427 2.891 0 50 EFAA COC[C@H]1CCN(Cc2cc3ccccc3nc2N2CCOCC2)C1 215086592 GAVCKRDWPPAFSE-INIZCTEOSA-N 341.455 2.540 0 50 EFAA COC(=O)c1cc(C)sc1NS(=O)(=O)c1ccc(OC)cc1 2761985 RONHAXIBDJZHGD-UHFFFAOYSA-N 341.410 2.653 0 50 EFAA COC(=O)[C@@H]1CCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2803401 RXVMZMULPWVZPQ-YPMHNXCESA-N 334.416 2.603 0 50 EFAA 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Cc1nnc(SCCCNC(=O)c2cnc(C3CC3)nc2C)s1 97729686 VYGMLONTPYRKBH-UHFFFAOYSA-N 349.485 2.735 0 50 EFAA CC[C@@H](C(=O)NCc1ccc(-c2noc(C)n2)cc1)n1cccn1 92019569 XFIZRYZCBSVULS-HNNXBMFYSA-N 325.372 2.509 0 50 EFAA O=C(NCCc1nc(-c2ccccc2)cs1)c1[nH]nc2c1CCC2 95472383 YFJZAMLDOGZTEV-UHFFFAOYSA-N 338.436 2.994 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91626210 PBVQQAVXNPGCCZ-QGZVFWFLSA-N 349.438 2.983 0 50 EFAA Cc1nc2ccccc2n(Cc2cncn2Cc2ccccc2)c1=O 95380632 LEFQYKUVDMQMET-UHFFFAOYSA-N 330.391 2.998 0 50 EFAA Cc1cc(F)ccc1NC(=O)N1CCN(CC(C)C)[C@@H](CCO)C1 97743012 ISNIARFAFYYHRZ-INIZCTEOSA-N 337.439 2.691 0 50 EFAA CN(Cc1noc(C2CCC2)n1)C(=O)c1c[nH]nc1-c1ccccc1 95382246 XBZSQEJKIVHOIS-UHFFFAOYSA-N 337.383 2.999 0 50 EFAA CC(=O)N1CCC(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)CC1 91859041 XKMDXTDMTZAOOL-TZIWHRDSSA-N 341.499 2.594 0 50 EFAA c1cc(-c2cc(CN3CCN(C4CCSCC4)CC3)on2)ccn1 244719186 LYMGRNXFTIVZCB-UHFFFAOYSA-N 344.484 2.750 0 50 EFAA CC1=C(C)[C@]2(C)[C@@H]1[C@H]1C=C[C@@]2(C)n2c(=O)n(-c3ccccc3)c(=O)n21 253595452 DPADCLWKGALTIV-WOUAJJJCSA-N 335.407 2.613 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299785486 SAFMXTGQLWIDEK-IRXDYDNUSA-N 340.427 2.562 0 50 EFAA CCCn1nc(-c2ccccc2)nc1CC[C@H](C)N1CCN(C)CC1 823033052 FVTLEEGPUXUCIH-KRWDZBQOSA-N 341.503 2.924 0 50 EFAA Cc1nc(-c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc2)n(C)n1 584893453 MOWHOQDXIGPDTG-UHFFFAOYSA-N 347.422 2.990 0 50 EFAA COc1ccc(C(=O)N2CCCN(C(=O)C3CC=CC3)CC2)c(C)c1 940572063 SIWHGPGRBOZVER-UHFFFAOYSA-N 342.439 2.644 0 50 EFAA O=C1CCC(CCC(=O)N2CCC3(CCc4ccccc43)CC2)=NN1 952970828 CCXNBDOCYNOZJS-UHFFFAOYSA-N 339.439 2.539 0 50 EFAA CCc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)ccc1OC 952991251 VYLIOMKBOMVEQM-HNNXBMFYSA-N 341.473 2.837 0 50 EFAA CC(C)(C)c1ccc(OCc2n[nH]c(CN3CCCC3=O)n2)cc1 885938887 FRPMVRNKSAWGIS-UHFFFAOYSA-N 328.416 2.804 0 50 EFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc(N(C)C)nc2)c1 952979693 OGYAISHGQRKGEZ-ZDUSSCGKSA-N 338.411 2.915 0 50 EFAA Cc1c(-c2nc(CC(C)C)nn2CCO)n[nH]c1-c1ccccc1 952978474 ZXXKHOZTBFXVND-UHFFFAOYSA-N 325.416 2.834 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H]2CC[C@H](N)C2)C1 269236607 HACPUQFPJXTLIG-FMKPAKJESA-N 335.879 2.718 0 50 EFAA CN(C[C@H]1CCC[C@H]1O)C(=O)Cc1cc(Br)ccc1F 270096896 NLFBACLJEDYBQQ-QMTHXVAHSA-N 344.224 2.750 0 50 EFAA Cc1cc(C(C)C)nc(NCc2cccnc2N2CCOCC2)n1 631053047 IOAREQUQTGTAHX-UHFFFAOYSA-N 327.432 2.752 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)c2ncsc2-c2ccccc2)C1 276215270 LNIJBUVKMIDZJK-GFCCVEGCSA-N 329.425 2.538 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N2C[C@H](C)CC2(C)C)n1 276406996 CZKXSOWGNKJGQS-LLVKDONJSA-N 328.420 2.931 0 50 EFAA CO[C@@]1(C)C[C@@H](N(C)C(=O)Cc2sc(S)nc2C)C1(C)C 170645198 XZNIIALUOAJQMX-ABAIWWIYSA-N 328.503 2.945 0 50 EFAA CCOc1ccc(NC(=O)c2coc(C(F)(F)F)n2)cc1CO 635709880 RZGQIFXYBBLRBS-UHFFFAOYSA-N 330.262 2.837 0 50 EFAA CCc1nc(C2CCN(C(=O)Nc3ccc(F)c(OC)c3)CC2)n[nH]1 190852917 UFRLUTOHPPIAOF-UHFFFAOYSA-N 347.394 2.926 0 50 EFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 668807034 CJOFPCAYMYHZOD-OQIJWPOYSA-N 339.439 2.693 0 50 EFAA CC(C)c1nc(CN(C)c2cncc(C(=O)N3CCCC3)n2)cs1 1149784853 HAVLNRVCQOLVEZ-UHFFFAOYSA-N 345.472 2.929 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)c2cnc(O)c(Cl)c2)cc1 1506398662 WCGMBXGBABGREA-UHFFFAOYSA-N 334.803 2.774 0 50 EFAA O=C(c1cnc(O)c(Cl)c1)N(Cc1ccncc1)C[C@H]1CCCO1 1506417805 OWPPPBYOVYYBEV-CQSZACIVSA-N 347.802 2.657 0 50 EFAA CN(CCF)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 907209334 AHQIULIMITWMKR-UHFFFAOYSA-N 335.198 2.520 0 50 EFAA COc1cc(F)ccc1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529184703 DGQMYDGAIHFHPE-RTBURBONSA-N 331.387 2.769 0 50 EFAA CCc1ccccc1C(=O)N1CCCN(C[C@H]2CCCN2CC)CC1 1529181071 JVVADHQLFPHHOO-LJQANCHMSA-N 343.515 2.881 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529095669 SEYRCVQMIQRJJH-RHSMWYFYSA-N 349.862 2.975 0 50 EFAA COC(=O)CCCN(C)C(=O)Cc1ccc(Br)c(F)c1 157874822 MWFFYRCKKIVKNQ-UHFFFAOYSA-N 346.196 2.542 0 50 EFAA O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](C2(O)CC2)C1 1772819993 ZQYIZUWDMOCPKK-GFCCVEGCSA-N 329.318 2.962 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 16579377 LCHFULARBUTRJJ-UHFFFAOYSA-N 348.443 2.786 0 50 EFAA CCn1cc(C(=O)Nc2cccc(C)n2)c(=O)c2cc(OC)ccc21 16624699 WQVMWRAKCXCGFI-UHFFFAOYSA-N 337.379 2.986 0 50 EFAA C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)O1 19841354 LDZNUSPFEHIING-VXGBXAGGSA-N 341.249 2.887 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cccc(F)c4C3)n[nH]c21 1857528270 NFSBKNSQFZDEHO-MNOVXSKESA-N 329.375 2.770 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3nc4ncccc4o3)CC2)O1 1857668141 DBLIIIWPVZAGHM-KGLIPLIRSA-N 331.416 2.507 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)NCCCCc1ccc(Cl)s1 239654054 BMNXUWUZGIUSFJ-ZDUSSCGKSA-N 328.865 2.851 0 50 EFAA COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)C1 241261994 LAJIHAQJEFTYON-CQSZACIVSA-N 344.386 2.856 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1 248128676 MOGAAWZTKYMMQR-RBUKOAKNSA-N 338.455 2.630 0 50 EFAA Cc1cccc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1 157234459 RMNIIJZMZXDYDI-UHFFFAOYSA-N 333.457 2.830 0 50 EFAA CCc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)n(C)n1 903606310 INLUPZQAENAUDO-UHFFFAOYSA-N 341.408 2.710 0 50 EFAA C[C@](O)(CNc1ccc2nc(N3CCOCC3)sc2c1)C(F)F 905302363 YYBCLGCCXSWETP-HNNXBMFYSA-N 343.399 2.561 0 50 EFAA O=C(O)CCN(C(=O)c1ccc(F)c2occc12)C1CCOCC1 907579651 RXFUVTYVFZJCBM-UHFFFAOYSA-N 335.331 2.668 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCc2nccn2C1 830547232 DYKIZJOQZPKXOQ-INIZCTEOSA-N 349.434 2.966 0 50 EFAA Cc1ncc2c(n1)CC[C@H](NC(=O)c1c[nH]cc1Cc1ccccc1)C2 929912489 HKLLHQCNUZJZND-SFHVURJKSA-N 346.434 2.991 0 50 EFAA O=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1 932112234 ZHSHEZUUSQCGJX-SECBINFHSA-N 336.745 2.741 0 50 EFAA C[C@H](CC(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1)N1CCCC1=O 1875299402 JQFNPEPAZYFPEF-KGLIPLIRSA-N 348.418 2.638 0 50 EFAA Cn1nncc1CNCC(C)(C)Cc1ccccc1Br 1775994211 YLWKRTJZEIPULL-UHFFFAOYSA-N 337.265 2.936 0 50 EFAA O=C(CCOc1cccc(Cl)c1)Nc1c[nH]nc1[C@H]1CCNC1 1775961114 WNVAVGHBEWYLOA-NSHDSACASA-N 334.807 2.548 0 50 EFAA COc1ccnc(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)c1 897023876 KNBXVVXIUUTSGY-MRVPVSSYSA-N 339.277 2.965 0 50 EFAA Cn1c(NCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2190079 WKJJXCAFETYXJF-UHFFFAOYSA-N 339.439 2.610 0 50 EFAA C[C@@H]1c2nccn2CCN1C(=O)NCc1cnc2c(F)cccc2c1 2325784581 WMRFHMLEEMSQFB-GFCCVEGCSA-N 339.374 2.857 0 50 EFAA Cc1cc(C2CN(C(=O)c3ccnc(N4CCC[C@H](C)C4)c3)C2)no1 2325791231 DDYLHEIAFRXJMB-ZDUSSCGKSA-N 340.427 2.854 0 50 EFAA CO[C@H](C(=O)Nc1cccnc1OCc1ccccc1)[C@H]1CCCO1 2325797234 AMMOHVYOWBTZSQ-SJORKVTESA-N 342.395 2.793 0 50 EFAA C[C@@H](COC1CCCC1)CS(=O)(=O)Nc1ccc2c[nH]nc2c1 2325801497 LGKTXGYNFNPZQA-LBPRGKRZSA-N 337.445 2.900 0 50 EFAA C[C@@]1(CNC(=O)CCF)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871629 SMEFOTWDQPZIJS-IBGZPJMESA-N 343.402 2.563 0 50 EFAA CCSc1ccc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1 135574188 NIKWDCLLBKWGHT-ZOWXZIJZSA-N 329.487 2.956 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1 176321 NIGJPTCHWRQBHJ-MRXNPFEDSA-N 332.444 2.907 0 50 EFAA Cc1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 302715 ACCCAEOJKLNETJ-INIZCTEOSA-N 349.312 2.891 0 50 EFAA CN1C(=O)[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 565343 MFHVDJWVQFUXAH-OAQYLSRUSA-N 346.386 2.914 0 50 EFAA aggregator O=C(c1cc2ccccc2cn1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356136306 OREHMXQTOINSDU-NRFANRHFSA-N 349.434 2.994 0 50 EFAA COc1ncc(CN2CCC3(CC2)OCCc2ccsc23)cn1 2356144044 HJOGDCCXZDWLIN-UHFFFAOYSA-N 331.441 2.611 0 50 EFAA CN1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 2872683 UQMBRZFUWYTMQL-UHFFFAOYSA-N 331.641 2.927 0 50 EFAA CCOc1ccccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 2959019 FTRQYRYRPFUFKH-UHFFFAOYSA-N 332.787 2.994 0 50 EFAA CC(C)CN1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO 104496049 XKPUAWCCNGPEGB-LJQANCHMSA-N 327.472 2.759 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C12CCC2 246450701 UPDJKBVAKLYKKP-VEDBGLOESA-N 335.492 2.649 0 50 EFAA COC[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC(C)(C)O1 343741006 WDLJTOMTBHLOHU-MRXNPFEDSA-N 330.428 2.753 0 50 EFAA NC(=O)c1ccc([C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)s1 23428748 HESKJIZSINHDSL-ZDUSSCGKSA-N 344.436 2.955 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2cc(C)ccc2C)n1 67622500 YFQZNWBYEGVOQN-UHFFFAOYSA-N 327.432 2.676 0 50 EFAA Cn1nccc1NC(=O)Cn1ccc(-c2ccccc2C(F)(F)F)n1 55271023 FZBXXRYFWYSLTM-UHFFFAOYSA-N 349.316 2.941 0 50 EFAA CCC1=NO[C@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 65467747 JFYMXUBZMKGMQU-SFHVURJKSA-N 340.427 2.833 0 50 EFAA Cc1c(Cl)cccc1-n1cc(C2=CCN(CCC(N)=O)CC2)cn1 67946670 MNMSAPJMHQOZDG-UHFFFAOYSA-N 344.846 2.799 0 50 EFAA O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CCc2cn[nH]c2C1 253427809 DIZOWPGOPRYZEQ-GFCCVEGCSA-N 335.367 2.736 0 50 EFAA C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]1c1cnn(C)c1 251983848 GOUQPUUFFZPNMU-QAPCUYQASA-N 326.444 2.777 0 50 EFAA C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 67919716 SSWDQNMSTRAYSB-FCONWMNKSA-N 340.427 2.533 0 50 EFAA Cc1cccc(CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 280985897 SPXXMUUTUDSCMZ-RBUKOAKNSA-N 338.455 2.677 0 50 EFAA 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CCc1cc(N[C@H]2Cc3ccccc3NC2=O)n2nc(C)c(C)c2n1 72429205 DDHFDDIJPVMHEB-INIZCTEOSA-N 335.411 2.884 0 50 EFAA O=C(C1CCOCC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 123507511 HYOVTNGZAXKDMF-LSDHHAIUSA-N 343.345 2.766 0 50 EFAA CN1C[C@H](C(=O)NC2(c3ccccc3F)CC2)c2ccccc2C1=O 376036407 XXUPINCVYNTLAH-HNNXBMFYSA-N 338.382 2.800 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1C 331855587 FHXINJHVMFKYAA-CJNGLKHVSA-N 347.365 2.628 0 50 EFAA O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(-c2cc[nH]n2)s1 242048080 VSNODCCGMFIIFA-CZUORRHYSA-N 325.393 2.526 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cccc3[nH]cnc23)c1 282468467 LFCHAVFBHOFGHC-SUMWQHHRSA-N 337.379 2.520 0 50 EFAA COc1cnc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2)s1 455388251 QCYPATJWVLULGD-JTQLQIEISA-N 336.392 2.691 0 50 EFAA O=C1OC2(CCN(C[C@@H]3CCCO3)CC2)CN1CCc1ccccc1 77288132 JEUPSOFJDKDZJH-SFHVURJKSA-N 344.455 2.695 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 156562770 IEUQETWGDDUBRL-OAHLLOKOSA-N 341.411 2.696 0 50 EFAA 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Cc1cc(C)nc(CCNC(=O)c2ccc(CCC(C)(C)O)cc2)n1 72432096 LWTSQBLLHVKGMK-UHFFFAOYSA-N 341.455 2.769 0 50 EFAA O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc[nH]1 239653718 BKWZWYQDTFGTEF-LLVKDONJSA-N 325.137 2.780 0 50 EFAA COCCOc1cc(C)ccc1CNC(=O)N1CCSC[C@H]1C 176117780 VPMZBZORGYHONX-CQSZACIVSA-N 338.473 2.667 0 50 EFAA CC(C)CN1CCC[C@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 82039460 ATTAZWWAEQJZQH-LBPRGKRZSA-N 333.461 2.922 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cccc2cnccc12 220232673 OPUIZUVGDGEPEE-QZTJIDSGSA-N 326.396 2.549 0 50 EFAA CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2n[nH]cc2C)CC1 289669840 ZLUYBXTYQUGOLR-OAHLLOKOSA-N 345.466 2.850 0 50 EFAA COc1ccc(OC)c(CC(=O)N2CC(Oc3ccccc3C)C2)c1 82136952 IRQCERPRNRGZQR-UHFFFAOYSA-N 341.407 2.845 0 50 EFAA Cc1cccc(OCCCN(C)C(=O)NC[C@H]2CCCCN2C)c1 426420762 PITLIZPXMDDGTA-QGZVFWFLSA-N 333.476 2.890 0 50 EFAA CC(C)c1nc(N2CCCn3nc([C@H](O)C4CCC4)cc3C2)no1 230501312 NLTFNHHQQYMCPT-OAHLLOKOSA-N 331.420 2.633 0 50 EFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1[nH]c3ccc(C)cc3c1C)CC2 91665770 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Cc1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)nn1-c1ccccc1 170595172 SXFXGKVRJGXUCQ-GOSISDBHSA-N 339.370 2.783 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ncnc3c(C)cccc23)C1 190084162 IYFJFNWYDYFBPS-TZMCWYRMSA-N 325.372 2.596 0 50 EFAA CCCn1cc(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)cn1 191126387 KXVXLRXYVYGSIN-CYBMUJFWSA-N 339.754 2.641 0 50 EFAA Nc1ncncc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 192357745 BEBJZWXJLQGENO-UHFFFAOYSA-N 336.317 2.887 0 50 EFAA Cc1cc(NC(=O)N[C@H](C)C[S@](C)=O)cc(C)c1Br 192419030 GSFHZFYPPKSGBO-DGIBIBHMSA-N 347.278 2.954 0 50 EFAA COc1cccc(C2CCN(C(=O)NCc3cnn(C)c3)CC2)c1 194922916 SLPXAVBARYOPBB-UHFFFAOYSA-N 328.416 2.518 0 50 EFAA CO[C@@H](C(=O)N1CCCc2nc(Br)ccc21)C1CC1 1327240394 LEHRDTMAVWOBGZ-CYBMUJFWSA-N 325.206 2.548 0 50 EFAA O=c1cc(-c2ccccc2)ncn1Cc1nncn1-c1ccccc1 1652939653 GZPWUQCBEQRAMU-UHFFFAOYSA-N 329.363 2.539 0 50 EFAA COCC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704354427 DXOGQFFDJNHIKP-QAPCUYQASA-N 342.439 2.581 0 50 EFAA CC(=O)N[C@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H]1C(C)C 222521496 RVFNLQLIRFRVTA-MOPGFXCFSA-N 340.471 2.524 0 50 EFAA Cc1ccc(-c2nc(CN3C[C@@H]4COCC[C@]4(CO)C3)c(C)o2)cc1 1772705786 NGGSGUMVLHAUFD-YLJYHZDGSA-N 342.439 2.789 0 50 EFAA CCCc1noc(CN2CCC([C@H](O)Cc3ccccc3)CC2)n1 12021411 YRAODXPHRZEZDO-QGZVFWFLSA-N 329.444 2.838 0 50 EFAA CSCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12467016 CIQMFISTVWAWOB-CYBMUJFWSA-N 333.375 2.838 0 50 EFAA CC(=O)C(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 12468975 XFBLNLMHOFBZEN-INIZCTEOSA-N 336.863 2.642 0 50 EFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 13668916 FCSGEVMRZODUPK-UHFFFAOYSA-N 335.381 2.591 0 50 EFAA COc1ccc(CN[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 14966560 OYYGODPEOPUCHV-GOSISDBHSA-N 342.414 2.768 0 50 EFAA Cc1ccc(-c2nc(CN3C[C@@H]4CCOC[C@]4(CO)C3)c(C)o2)cc1 1857669282 JMBGIJXISUCATK-FXAWDEMLSA-N 342.439 2.789 0 50 EFAA CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@H]1S(C)(=O)=O 125121892 KQFMAPTUCIUYLL-GXSJLCMTSA-N 335.878 2.829 0 50 EFAA 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O=S(=O)(C[C@@H]1CCCCC1(F)F)NC[C@@]12CCC[C@@H](CO1)C2 2325782707 XXDIOHXIEKLHBK-RDBSUJKOSA-N 337.432 2.691 0 50 EFAA C[C@@H]1CCn2nccc2N1C(=O)c1ccc(Cl)c2c1OCCO2 2325805740 ORKOGVSTSKPNHI-SNVBAGLBSA-N 333.775 2.747 0 50 EFAA CCOc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 84316 FUIHHMORQOEWCP-INIZCTEOSA-N 325.368 2.847 0 50 EFAA O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCCC1 148047 ATOUHIXTMPMIBY-UHFFFAOYSA-N 339.420 2.747 0 50 EFAA CN(c1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 269512 QRWCFZJCHCYEJP-UHFFFAOYSA-N 344.436 2.748 0 50 EFAA CCOC(=O)CCc1c(C(=O)OCC)[nH]c(C)c1C1OC(C)(C)O1 391559 XIRIFDVSMPSWTN-UHFFFAOYSA-N 339.388 2.777 0 50 EFAA CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 2697830 FMEWSGGOMZJFHY-UHFFFAOYSA-N 333.438 2.858 0 50 EFAA Cc1[nH]ncc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225407565 KLIYHFXGROXSRA-QMTHXVAHSA-N 339.317 2.685 0 50 EFAA CCS(=O)(=O)c1cc(Cl)cc(CNCc2conc2C)c1 414491761 DGBPUMIDYHUAKE-UHFFFAOYSA-N 328.821 2.720 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@@H](CO)C1 55359778 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2.532 0 50 EFAA CCCc1nc(N(C)Cc2nc(CC(C)C)no2)c2cnn(C)c2n1 72169302 BTSPONZHXJSJIG-UHFFFAOYSA-N 343.435 2.534 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(C)c1F)CC2 121214278 CPSMLYOYYLEIBW-CABCVRRESA-N 336.407 2.918 0 50 EFAA Cc1cc(C(F)(F)F)n(-c2nc(-c3nnc(S)n3C)cs2)n1 5736708 QJQQMUBVZNQXLM-UHFFFAOYSA-N 346.363 2.740 0 50 EFAA O[C@@H]1CN(c2ccc3cc[nH]c3n2)CC[C@H]1c1ccc2c(c1)OCO2 72166829 KQXLMWSIVYFILM-LSDHHAIUSA-N 337.379 2.646 0 50 EFAA CN1CC[C@@H](CN(C)[C@@H]2Cc3ccccc3[C@H]2O)[C@@H]1c1cccnc1 328649853 VGMOPAGKYOBLST-FYZZASKESA-N 337.467 2.665 0 50 EFAA Cc1ccc2oc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2n1 363483026 UAIDEBKVICBAAO-ZDUSSCGKSA-N 326.356 2.764 0 50 EFAA CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1 38190874 FWJRVGZWNDOOFH-HNNXBMFYSA-N 342.376 2.643 0 50 EFAA in-vitro Cc1ccc(CN(C)C(=O)c2ccoc2C2(O)CCOCC2)s1 366816885 FRULHYAQRTVKBU-UHFFFAOYSA-N 335.425 2.920 0 50 EFAA O=C1[C@@H](Sc2cnn[nH]2)CCCN1c1ccc(OC(F)F)cc1 155960092 XEWHLUPZQHWCPP-NSHDSACASA-N 340.355 2.694 0 50 EFAA CCOc1ccc(CC(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cc1 219026619 CCRQQTBBHYIUAW-QGZVFWFLSA-N 327.428 2.915 0 50 EFAA Cc1cccnc1NC(=O)N1CCN(c2nc3ccccc3o2)CC1 172640520 PDOYVJVCFPLPMB-UHFFFAOYSA-N 337.383 2.885 0 50 EFAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccnc(C)c3)CC2)nc1 332505508 BJNITPQYNWBBAW-UHFFFAOYSA-N 338.411 2.584 0 50 EFAA O=C(Nc1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)C1CC1 157836849 CYGNNZBWJPMHFT-UHFFFAOYSA-N 329.400 2.822 0 50 EFAA CC1=C(c2ccco2)CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 374550816 JUCYGSBGXCFPBH-ZDUSSCGKSA-N 327.384 2.826 0 50 EFAA O=C(Nc1ccccn1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 127239811 OYBLUZVGDATYRQ-UHFFFAOYSA-N 344.802 2.725 0 50 EFAA CCOc1ccccc1-c1nccn1CCNC(=O)c1cccnc1 72479885 GFGZYTSGMRCWBX-UHFFFAOYSA-N 336.395 2.774 0 50 EFAA Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(C)c1 158318489 URXTUBXKDATPQP-MAUKXSAKSA-N 343.471 2.687 0 50 EFAA CN(CCC1CCOCC1)C(=O)c1ccc(-c2nnc(S)o2)cc1 127863410 XWBBCCWDWJLKQK-UHFFFAOYSA-N 347.440 2.914 0 50 EFAA CNC(=O)c1noc(CN2CCC[C@@H](CCc3ccccc3C)C2)n1 72166008 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MYAPRLAPRHDJTE-ZMSDIMECSA-N 348.406 2.660 0 50 EFAA Cc1cccc([C@H](NC(=O)Cc2ccc(OCCN)cc2)C2CC2)n1 426737336 DTBFBYAGJQYBMB-HXUWFJFHSA-N 339.439 2.538 0 50 EFAA CC(C)=CCC[C@]1(C)CCC(=O)N(CCNc2nc(C)cc(=O)[nH]2)C1 91304059 MOSIPHQOMKYRST-LJQANCHMSA-N 346.475 2.865 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1cc(CC(C)C)no1)C2 91595935 QQMXZFCCKBUCBX-CQSZACIVSA-N 344.411 2.749 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)N1CC(Oc2ccccc2OC)C1 92080592 NUAKDFYDBRRXHF-OAHLLOKOSA-N 332.444 2.549 0 50 EFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c4c3CCC4)[nH]n2)s1 92028304 HLWCREUQPCXFJY-UHFFFAOYSA-N 341.440 2.931 0 50 EFAA CCCn1cc(C(=O)NCCc2nc(C)c(Cl)s2)c(C)n1 91907963 BQFKFPHOTQMAEX-UHFFFAOYSA-N 326.853 2.992 0 50 EFAA CC1(C)C[C@@](CCNC(=O)Nc2nc[nH]n2)(c2ccccc2)CCO1 23380439 MNUYDSZQCNUSBH-SFHVURJKSA-N 343.431 2.843 0 50 EFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C2CCCC2)CC1 91526120 SRVVPVSKZWTZBT-UHFFFAOYSA-N 342.491 2.973 0 50 EFAA CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 91770189 NEXVKBVWLHLNIP-KRWDZBQOSA-N 340.467 2.697 0 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LCFFLAPXLIQEAV-UHFFFAOYSA-N 347.378 2.729 0 50 EFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@H]1CC(C(C)C)=NO1 952990895 JHUSMYOFZBTFAL-MRXNPFEDSA-N 340.383 2.897 0 50 EFAA NC(=O)c1cc(N2CCC(Cc3ccc(F)c(F)c3)CC2)ccn1 302304096 ZBTHSHQSCOOXBK-UHFFFAOYSA-N 331.366 2.918 0 50 EFAA Cc1ccc([C@@](C)(O)CNC(=O)c2c(-c3ccccn3)noc2C)o1 165889166 IUAAEBIGDANDLE-SFHVURJKSA-N 341.367 2.584 0 50 EFAA COc1cc(C)c(Br)cc1NC(=O)N1CCC(O)CC1 274136428 ALEMMPZHCHWHKM-UHFFFAOYSA-N 343.221 2.755 0 50 EFAA CC(C)O[C@H]1C[C@H](NC(=O)NCc2cccc(N(C)C)n2)C1(C)C 274208406 KFBPFNFKFCYXTG-GJZGRUSLSA-N 334.464 2.539 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(Br)cn2)C1 643772708 PMNPKHHXXRIFNG-OLZOCXBDSA-N 337.221 2.529 0 50 EFAA NC(=O)[C@H](c1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 192282548 JKJYONNVBINRAR-SFHVURJKSA-N 340.398 2.921 0 50 EFAA O=C(NCCOC1CCCCC1)NCc1ccc2c(=O)cc[nH]c2c1 663768477 IIIUMYWFLNDAAP-UHFFFAOYSA-N 343.427 2.677 0 50 EFAA Cc1cc(NC[C@@H](O)c2cccc(O)c2)nc(N2CCCCC2)n1 1529197254 MMWWPSLYOKDJOO-MRXNPFEDSA-N 328.416 2.626 0 50 EFAA O=C(O)C[C@H](NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 5063148 ZNUPUOVZUKLWDV-HNNXBMFYSA-N 332.787 2.912 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1 11693012 RCFIADUHBLHDGC-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA O=C(O)c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 12138572 XFSGVJVEFLOEMU-UHFFFAOYSA-N 338.363 2.873 0 50 EFAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc[nH]5)n4)c3CO2)cc1 169769356 UUJGAEARUSLELN-HNNXBMFYSA-N 348.366 2.903 0 50 EFAA CC[C@H](C)Cc1nc(-c2cc(C(F)(F)F)nn2C)n(CCCO)n1 1857678927 MMDLMFPZUFUUMF-JTQLQIEISA-N 345.369 2.668 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H](C(C)C)O1 1857736303 OHSDIBWWJNCDGB-GDBMZVCRSA-N 330.432 2.785 0 50 EFAA C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H](c1cccs1)C(C)(C)CO 408523846 NYLWUKJCTJQGOY-OCCSQVGLSA-N 342.505 2.904 0 50 EFAA CC(C)(C[C@@H]1CCCN(C(=O)c2cc(O)ccc2Cl)C1)C(N)=O 408519827 DNXDMSGFGJVWHU-NSHDSACASA-N 338.835 2.799 0 50 EFAA CCN(Cc1ccc(OC)cc1)C(=O)c1cnc(C2OCCO2)s1 225801235 NSSOWPXBCSZGAR-UHFFFAOYSA-N 348.424 2.859 0 50 EFAA CC(=O)N[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118914035 ZBHPCFVWCHWDCE-OIFNNXFWSA-N 347.499 2.786 0 50 EFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 230172751 HJPYOFUQFYZPHG-IIAWOOMASA-N 346.452 2.660 0 50 EFAA O=C(NCc1cccc(-n2cncn2)c1)c1c(Cl)cncc1Cl 340487666 LWCZUNSTHHXRNC-UHFFFAOYSA-N 348.193 2.899 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc(CC(N)=O)cs2)o1 370887145 TUGDKCZJUHHBER-KLHWPWHYSA-N 345.424 2.630 0 50 EFAA O=C(N[C@@H]1CCCC12CCOCC2)c1ccnn1-c1ccccc1 374300208 CGTJNWNQXJQDMS-QGZVFWFLSA-N 325.412 2.951 0 50 EFAA O=C(O)c1ccc(CN2CCN(CCc3cccs3)CC2)cc1 263577641 RRJSXVWOPHORFE-UHFFFAOYSA-N 330.453 2.807 0 50 EFAA CCOc1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1F 264317375 POVRPNOQWVTSOG-UHFFFAOYSA-N 344.390 2.545 0 50 EFAA COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CC=CCC3)CCC(=O)N2C)cc1 265474800 ZFUJKYMFVYGWTD-KVSKMBFKSA-N 342.439 2.830 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)[C@@H]2C1 903537979 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KJFDURVYISWNMH-UHFFFAOYSA-N 345.218 2.712 0 50 EFAA CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 721841329 YSIXVYWQWPHPST-VIFPVBQESA-N 338.256 2.775 0 50 EFAA O=C(Nc1n[nH]c2c1COCC2)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1471832219 JCZHBYYPRHLFIC-NWDGAFQWSA-N 349.337 2.826 0 50 EFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 1857798502 KDCHDYGAQFATGL-IQJOONFLSA-N 326.582 2.734 0 50 EFAA O=C(O)[C@]1(C2CCOCC2)CCN(Cc2cc3ncccc3s2)C1 2325788166 QNAIOYKLSBBXGO-GOSISDBHSA-N 346.452 3.000 0 50 EFAA COc1ccc(C(N)=O)cc1C(=O)NCC[C@@H]1CCc2ccccc21 2325791697 RDKLUOUMMLLERZ-AWEZNQCLSA-N 338.407 2.644 0 50 EFAA O=C(c1cnc2ccccc2n1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110660846 RBZJWUYTACLKKT-DOXZYTNZSA-N 336.439 2.576 0 50 EFAA COc1cc(OC)c2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c1 4540640 BHZRHAWZHOCNLN-UHFFFAOYSA-N 345.395 2.674 0 50 EFAA biogenic COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 6706430 JHHWWTPZIKPSKG-UHFFFAOYSA-N 341.335 2.861 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCOCC(F)(F)C3)n[nH]2)cc1C 342401981 WMVJHFHXRQXRAB-UHFFFAOYSA-N 335.354 2.801 0 50 EFAA CCOCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 10325444 XTWSALUWGUBDCD-CVEARBPZSA-N 335.400 2.931 0 50 EFAA COc1cc(I)c(Cl)cc1CNC(C)=O 280574045 WGKCSBMVTMQYKJ-UHFFFAOYSA-N 339.560 2.589 0 50 EFAA COc1cccc2c1CC[C@H](NCc1ccccc1S(C)(=O)=O)C2 414229780 AAGGNWQCDUOWHH-INIZCTEOSA-N 345.464 2.746 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-n2ccnc2)nc1 115018637 LMXLLLQVZGBGMA-KRWDZBQOSA-N 334.379 2.910 0 50 EFAA Cc1cccc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 101430160 SLOGRGBJKDQVOV-IYBDPMFKSA-N 326.396 2.665 0 50 EFAA Nc1ccccc1NC(=O)Cn1c(S)nnc1-c1cccs1 119089677 SWPCFHFAUJZBHN-UHFFFAOYSA-N 331.426 2.516 0 50 EFAA COc1ccc(-c2nc(CN3CCC(N)CC3)c(C)o2)c(OC)c1C 67770949 VLIHXMUAUFLVRA-UHFFFAOYSA-N 345.443 2.899 0 50 EFAA CCOC(=O)N1CCC(NCc2nn(C)c3ccc(C)cc23)CC1 65374668 JQACWFLRDIFBAL-UHFFFAOYSA-N 330.432 2.592 0 50 EFAA Cc1ccc(-n2nc(C(=O)N[C@@H]3C[C@H]3C3CCNCC3)cc2C)cc1 423651500 OXMIUEZZUPPPPR-ZWKOTPCHSA-N 338.455 2.607 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCN4CCCC[C@@H]34)c12 229386219 JTXPLRFMHJISNN-ZBFHGGJFSA-N 340.427 2.765 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)NCc2cccs2)C[C@@H](C)O1 229465588 UAWINGWUFSELPQ-QLFBSQMISA-N 337.489 2.531 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COCc1cccs1 229555087 LBCJVWAHMQMPQF-WBVHZDCISA-N 349.500 2.813 0 50 EFAA CCN(Cc1ccncc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67879866 LSXHXBGCBIYOMB-UHFFFAOYSA-N 337.379 2.674 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)c1cnc(-c2cccnc2)nc1 65384015 NCXOPGNROAOVAX-LLVKDONJSA-N 325.397 2.828 0 50 EFAA Cc1nnc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)s1 35686433 GFKQUKNXTWOVRD-UHFFFAOYSA-N 342.428 2.913 0 50 EFAA O=C(NC(=O)c1ccc(F)cc1)OC[C@@H]1CCCN2CCCC[C@@H]12 4653871 HQTAXOPUMYCJIK-HOCLYGCPSA-N 334.391 2.957 0 50 EFAA Cc1oncc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 219691465 RTQFAAPSRGOWGO-RWKZGTHUSA-N 337.379 2.773 0 50 EFAA Cc1cc(NCc2csc(-c3cnccn3)n2)n2nc(C)cc2n1 72408984 GURNAFQSQURRKY-UHFFFAOYSA-N 337.412 2.872 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCCC[C@@H]2CCn2cccn2)o1 77322164 YDMULKFKMLXQHS-OAHLLOKOSA-N 330.432 2.623 0 50 EFAA O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1nc(C2CC2)cs1 125251857 ZZWDWGVWXYKPFP-GFCCVEGCSA-N 327.409 2.763 0 50 EFAA O=C(O)[C@H]1CC2(CCNCC2)CN1Cc1c(F)cccc1Cl 72120744 KKNXDLWSEFYJAV-CQSZACIVSA-N 326.799 2.508 0 50 EFAA CCOc1ccc([C@H](C)NC(=O)N2CC(C(C)(C)O)C2)cc1OC 332498591 VBZOYSSQVSHJQH-LBPRGKRZSA-N 336.432 2.567 0 50 EFAA CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2nc3ccccc3s2)C1 126867299 OIUUFNYXPGIQPN-NEPJUHHUSA-N 347.440 2.827 0 50 EFAA CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(C(=O)O)n1 362527878 GTLAJIGPIMELIZ-ZUZCIYMTSA-N 348.786 2.939 0 50 EFAA COC1(c2noc(C[C@@H]3c4ccccc4CCN3C(C)=O)n2)CCC1 364473493 DHXKGCFZMAPIRG-MRXNPFEDSA-N 341.411 2.784 0 50 EFAA CC1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)c2cnc3n2CCC3)C1 333504129 SLIYEFXZZUYBKR-HNNXBMFYSA-N 345.468 2.991 0 50 EFAA C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1Cc1ccccc1 237583081 AHZCIDWNXUHTGL-CGTJXYLNSA-N 331.504 2.871 0 50 EFAA C1=C(CNc2ncnc3c2CCN(Cc2cnc[nH]2)CC3)CCCC1 72421442 ALNVYMIEVDWIJO-UHFFFAOYSA-N 338.459 2.713 0 50 EFAA Cc1cccc(NC2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)n1 368156851 BYPIKDFHVILKBH-ZDUSSCGKSA-N 341.459 2.937 0 50 EFAA O=C(CN1CCC[C@H]1C(=O)O)N[C@@H](c1ccc(F)cc1)C1CCCC1 262686763 YCNCXINTQFXGTN-FUHWJXTLSA-N 348.418 2.722 0 50 EFAA c1ccc(COCCN2CCCC[C@H]2CCN2CCOCC2)cc1 72147147 RVYRXBPRRKUPTN-FQEVSTJZSA-N 332.488 2.780 0 50 EFAA CC1(C)CCN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CCS1 369633447 ZYOUXNYHRHBVJZ-XJKSGUPXSA-N 344.546 2.968 0 50 EFAA Cc1cc(NC2CCN(C[C@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72407462 QTSPFTHMGGJJQP-QGZVFWFLSA-N 343.475 2.710 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccncc2)CCC(=O)N1Cc1ccccc1 71752914 OGMCILHGARONPJ-GOSISDBHSA-N 337.423 2.735 0 50 EFAA COc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1 39436694 KSJYXUPLYFDGEN-LJQANCHMSA-N 332.488 2.897 0 50 EFAA COc1ccccc1[C@@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 370763294 IJHHAPUHXSRTET-QGZVFWFLSA-N 336.435 2.507 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccc(C)c(F)c2)n1 72116115 GFLXWLUAPBVGBR-UHFFFAOYSA-N 346.410 2.898 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cccnc3)CC2)OC1=O 77538601 HWIVALXZGFBGCZ-AWEZNQCLSA-N 331.416 2.697 0 50 EFAA CCN1CCCn2nc(CN(C)Cc3noc4c3CCCC4)cc2C1 72169756 RRLYGXFDBKUBGJ-UHFFFAOYSA-N 343.475 2.608 0 50 EFAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCCC(C)C)C1 71661359 GDTMNFFGIXPWET-UHFFFAOYSA-N 339.443 2.901 0 50 EFAA CCN(C)C(=O)c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nc1 71776680 HAYUWVNJGUNCNL-KRWDZBQOSA-N 343.402 2.891 0 50 EFAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CC[C@@H](N2CCCC2)C1 240551583 GUTZPEUZUSDSPJ-OTWHNJEPSA-N 343.471 2.644 0 50 EFAA O=C(Nc1cc(F)ccc1O)[C@H](c1ccccc1)N1CCC(O)CC1 174877346 JSJHDOJJWFQQOU-SFHVURJKSA-N 344.386 2.668 0 50 EFAA CCc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222282561 SEJHLHGMPZTBIA-SJORKVTESA-N 344.411 2.650 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H](c2ccccc2)CO1 263364259 VMIOEHSNIHDLBR-KBXCAEBGSA-N 339.391 2.916 0 50 EFAA CCN1CCC[C@H](CNC(=O)N(C)Cc2noc(C3CCCC3)n2)C1 426405119 JLVYYJFAOLTIIK-CQSZACIVSA-N 349.479 2.601 0 50 EFAA Cc1cccc2[nH]c(CCN(C)c3cc(C4CC(N)C4)ncn3)nc12 223180750 SFLSXURSVGQKSW-UHFFFAOYSA-N 336.443 2.545 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1nnc2n1CCCCC2 221358180 GZRQEQMXYKPFCJ-INIZCTEOSA-N 340.427 2.821 0 50 EFAA COc1cccc(CN2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 426683797 KISWJUGOXOCGDF-HXUWFJFHSA-N 338.455 2.978 0 50 EFAA CCCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)o1 82097443 JBNHFDFUKUTGAD-FQEVSTJZSA-N 348.487 2.819 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCOC2)cc1NC(=O)c1ccccc1F 179180599 QXBSFWHLPLDDBY-CQSZACIVSA-N 342.370 2.905 0 50 EFAA CC(C)n1ccnc1[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 95372003 MEYXIZDUQFYKDY-QGZVFWFLSA-N 326.444 2.943 0 50 EFAA CO[C@H]1CCCOC12CCN(C(=O)c1csc(C(C)=O)c1)CC2 96148455 QILZVNTUNFBQNR-HNNXBMFYSA-N 337.441 2.751 0 50 EFAA Cc1nn2cc(CCNC(=O)C[C@@H]3CCc4ccccc43)nc2s1 91596091 LJVSAAYPMKXHJD-AWEZNQCLSA-N 340.452 2.878 0 50 EFAA CN(C)[C@@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1 95385361 GHFOUWFZPLJAEN-GOSISDBHSA-N 333.451 2.515 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCOc2ccccc21 237975959 WCDXBYCFJWMLDG-UKMLZYKCSA-N 329.396 2.797 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)CCCc1ccc(Cl)cc1)C(=O)O 95500800 VKNZHFBTCWQRPM-MRXNPFEDSA-N 349.818 2.945 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN(CCC(=O)N3CCCC3)C2)cc1 95370016 OMOFSNVCIDOKBI-KRWDZBQOSA-N 330.428 2.577 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CCCN3CCCC3)C2)cc1 95387915 OMSVTDMHVUFHMV-SFHVURJKSA-N 344.455 2.967 0 50 EFAA CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 299345290 RLMYLCFZTHDDOS-CQSZACIVSA-N 347.411 2.859 0 50 EFAA O=C1C[C@H](C(=O)NCc2c[nH]nc2-c2ccccc2)C2(CCCC2)O1 299759258 DWIFFIVZYPPSHU-OAHLLOKOSA-N 339.395 2.569 0 50 EFAA Cc1ncn(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1C 299802163 XRWXKUQZANQDRB-IBGZPJMESA-N 340.471 2.528 0 50 EFAA CSc1ccccc1N1C(=O)CN(Cc2cnn(C)c2C)C[C@H]1C 299776510 LSFAWCYCBRUXSX-CYBMUJFWSA-N 344.484 2.688 0 50 EFAA Cc1cnc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cn1 823765115 WCKTUAWQXDHWIH-UHFFFAOYSA-N 326.400 2.510 0 50 EFAA CC(=O)N[C@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C)C(C)C 820573987 OHVYQEJGJKUDRG-INIZCTEOSA-N 347.459 2.623 0 50 EFAA Cc1nnsc1CNC(=O)N(C)Cc1c(C)nn(C(C)C)c1C 584884264 BNJPMMRPCPSNGR-UHFFFAOYSA-N 336.465 2.582 0 50 EFAA C[C@H](NC(=O)N1CCC(CCCc2ccccc2)CC1)C(=O)N(C)C 584898793 JUVPQZYGPYMANE-INIZCTEOSA-N 345.487 2.908 0 50 EFAA Fc1cnc(N2CCC[C@@H](c3ncc(Br)cn3)C2)nc1 1413905766 AGACLMQQNBAGIC-SECBINFHSA-N 338.184 2.552 0 50 EFAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952962403 BIOFWZJJQKWKDV-VYDRJQSISA-N 335.451 2.797 0 50 EFAA CC(C)CC[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)CN(C)C1=O 952970348 CNSYUDCRFZOGSH-MRXNPFEDSA-N 345.443 2.516 0 50 EFAA Cc1csc(NC(=O)c2ccccc2NC(=O)N2CCOCC2)n1 886024646 WKPOCNADUXNGAQ-UHFFFAOYSA-N 346.412 2.568 0 50 EFAA FC(F)(F)c1cccc(CN2CCN(Cc3ncccn3)CC2)c1 170611908 GROVSFPNFWRZHG-UHFFFAOYSA-N 336.361 2.813 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cnccn1 170605319 XOCXEFGUTIQSHE-UHFFFAOYSA-N 325.290 2.646 0 50 EFAA CN(C[C@H]1CCCC[C@H]1O)c1ccc2nnc(-c3ccccc3)n2n1 272167517 GGSNNLWPJFIOQU-HZPDHXFCSA-N 337.427 2.779 0 50 EFAA CCc1ccccc1S(=O)(=O)N1CC[C@H](C2CCN(C)CC2)C1 275359062 IMBSZHBPOGTRFN-KRWDZBQOSA-N 336.501 2.601 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)CCc2ccc(F)cc2)CCO1 275782443 CKZKMWHIWJNSOV-WBVHZDCISA-N 331.391 2.528 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 186789578 NYFIGYDYMHAOOB-NZVBXONLSA-N 331.441 2.513 0 50 EFAA CO[C@H](CNC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccccc1 187420297 HWQPEWJDQRCPAO-QZTJIDSGSA-N 332.444 2.975 0 50 EFAA CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(C)n(C(C)C)c2C)C1(C)C 188765537 UJAZYNBNIPQMGY-VQIMIIECSA-N 336.476 2.982 0 50 EFAA O=C(c1cccnc1C(F)(F)F)N1CCC(O)(C(F)(F)F)CC1 195578089 FWTAHPMNQUTDNU-UHFFFAOYSA-N 342.239 2.630 0 50 EFAA C[C@@H](NC(=O)[C@]1(C(=O)O)CC1(C)C)c1ccc(OC(F)F)cc1 663101238 FDNTUVZCIYVYOB-ABKXIKBNSA-N 327.327 2.966 0 50 EFAA COc1cccc2c(N3CCC([C@@H](O)c4ncc[nH]4)CC3)ccnc12 795167502 XJPAEPLHYFUPBN-GOSISDBHSA-N 338.411 2.917 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)nc(N)n1 1506398293 BCFBDYGKKBNMPU-INIZCTEOSA-N 325.416 2.630 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)o1 1506418288 WCPADRMZZYFSKJ-INIZCTEOSA-N 333.409 2.596 0 50 EFAA CN(Cc1cnc2ccccc2c1)c1nccc(N2CCC[C@@H](O)C2)n1 1529144236 UQGOWXNTABBUBL-QGZVFWFLSA-N 349.438 2.622 0 50 EFAA Cn1cncc1CN(CCO)Cc1ccccc1OC1CCCC1 1704312167 MHPATOXXABEYLK-UHFFFAOYSA-N 329.444 2.736 0 50 EFAA CCCOc1ccc(OCCN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1 1704329499 VQSFDTDTKVMENV-IXDOHACOSA-N 346.471 2.701 0 50 EFAA O=C(CN1CCC2(CC1)OCCO2)Nc1c(Cl)cccc1Cl 6741969 OXEQYWINUNFSQE-UHFFFAOYSA-N 345.226 2.771 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1c1ncc(C(F)(F)F)cc1Cl 1772703603 OPVZTKSFMNUIIX-WCBMZHEXSA-N 333.741 2.953 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1F 5549945 DDTWRCSYRWXUMB-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA COC(=O)CNC(=O)C[C@H](c1ccccc1)c1ccc(OC)cc1 11816578 PDAOROKAXUSNDP-QGZVFWFLSA-N 327.380 2.506 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2ncnc2N1 13125296 HWBCZYZSSUTNHZ-INIZCTEOSA-N 332.367 2.601 0 50 EFAA COCCC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C 14973967 OBMCEGMLNWGPLE-AWEZNQCLSA-N 334.464 2.769 0 50 EFAA Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1 19790660 MMCWTYMIIVLCRU-FQEVSTJZSA-N 340.467 2.865 0 50 EFAA COc1ccccc1[C@@H]1NC(=O)N(CCC(C)C)C2=C1C(=O)OC2 169760806 XPWMSTARUQBIRH-INIZCTEOSA-N 330.384 2.619 0 50 EFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NC(C)C)CC2 200598313 JIJSOSRNFZMSDB-INIZCTEOSA-N 340.471 2.536 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4cccnc4)CC3)n[nH]c21 1857529170 WDKFJMOKHPUWCH-OLZOCXBDSA-N 340.427 2.847 0 50 EFAA C[C@@]1(F)CNCCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 1857530157 IEPRYOZEEIGKEL-ZMSDIMECSA-N 340.826 2.578 0 50 EFAA CCc1ncnc(N2C[C@@H]3CCC[C@@]3(c3nnc(C4CC4)o3)C2)c1F 1857532865 BXNXIDRVIWTQIK-KPZWWZAWSA-N 343.406 2.997 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCc1ccc(F)c(Cl)c1)CC2 246307538 NLWLIYQKYFHHAN-STQMWFEESA-N 325.815 2.857 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(F)c2F)C[C@@H]1C 225587743 MMDLAVKCWVAHHF-QJPTWQEYSA-N 340.370 2.866 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2560864 ULNOXUAEIPUJMK-NSHDSACASA-N 344.205 2.970 0 50 EFAA in-vitro C[C@@H]1CN(C(=O)c2cccc(OCC(=O)O)c2)CC2(CCCCC2)O1 656249168 ROPOCJRVXYPCJS-CQSZACIVSA-N 347.411 2.714 0 50 EFAA CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)CC1 666355187 DFCDEATVCXVMQR-GOSISDBHSA-N 346.446 2.961 0 50 EFAA O=C(O)[C@@H]1c2ccccc2OCCN1CCOc1ccccc1F 903928743 PZWHBECWAZQDOJ-KRWDZBQOSA-N 331.343 2.725 0 50 EFAA CC(C)(C(=O)N1CCC2(CC1)C[C@](C)(O)CCO2)c1ccccc1 1704298060 DNCYOVKPVNSDKO-LJQANCHMSA-N 331.456 2.887 0 50 EFAA CC(C)(C)c1ncc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)cn1 909735052 REYQXETVOXUGMP-UHFFFAOYSA-N 345.374 2.640 0 50 EFAA O=c1c2sc(-c3ccccc3)cc2ncn1CCO[C@@H]1CCOC1 916527563 UFGFUBQWXWCDFA-CQSZACIVSA-N 342.420 2.931 0 50 EFAA CN1CC[C@](C)(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)C1=O 923806889 GEXZTTZFCGQDPX-CQSZACIVSA-N 341.289 2.755 0 50 EFAA Cc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)c(N(C)C)n1 930505322 QWEPCJACPUCFSZ-UHFFFAOYSA-N 345.472 2.765 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(c2ncnc4[nH]c(C)c(C)c24)C3)o1 952889535 GTUBPWAOWRBEIO-UGSOOPFHSA-N 338.415 2.824 0 50 EFAA Cc1cccc([C@H](CNCc2cnc(C)nc2C)N2CCOCC2)c1 952992818 SDECUGGQHATSMV-FQEVSTJZSA-N 340.471 2.565 0 50 EFAA CC(C)c1nnc(NC(=O)c2cc(-c3cccnc3)n(C)n2)s1 1875265526 GCFWXJTZCNJASH-UHFFFAOYSA-N 328.401 2.709 0 50 EFAA COc1cc(C(F)(F)F)ccc1NC(=O)[C@@H]1CCCC(=O)N1C 1875270957 WRLVSNMAPIBVEC-NSHDSACASA-N 330.306 2.663 0 50 EFAA CC(C)c1nc2cc(CCNC(=O)c3ccc4cnnn4c3)ccc2o1 1875307658 IOPADFAAAPJVJW-UHFFFAOYSA-N 349.394 2.966 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)c1c[nH]nc1C1CCOCC1 886074775 WTGWRMRWOVIEJX-NSHDSACASA-N 347.390 2.942 0 50 EFAA COCCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 887989335 BCVANZGEVVVNDF-LIRRHRJNSA-N 347.459 2.890 0 50 EFAA O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCc2nocc2C1 888100997 NDPPGWJWJSHFNT-GFCCVEGCSA-N 343.210 2.779 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H](C(C)C)n3cnnc3)cc2)c1C 2325780026 BDTPFQDTJAXODK-QGZVFWFLSA-N 338.415 2.916 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC[C@]4(CCOC4)O3)cc2)c1C 2325791567 QIZOAQPRPNVUMR-IEBWSBKVSA-N 341.411 2.766 0 50 EFAA Cc1c(C(=O)N[C@H](Cc2ccccc2)c2nn[nH]n2)ccc2c1CCC2 2325808047 YRNZZBANOHWHTI-GOSISDBHSA-N 347.422 2.711 0 50 EFAA CC1CCC(CCn2nnnc2N2C[C@H]3CC(F)(F)[C@H]3C2)CC1 2325860949 ZVZYIJXFCFCBPU-PQAZSJQKSA-N 325.407 2.981 0 50 EFAA Cc1cc(C)cc(NC(=O)NC[C@@H]2CCN(Cc3cnn(C)c3)C2)c1 67713844 HFZKSKOZABKJCG-INIZCTEOSA-N 341.459 2.681 0 50 EFAA Cn1ncc(-c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1CN 899323259 DWDDAVXTGHSWII-UHFFFAOYSA-N 335.333 2.809 0 50 EFAA O=C(Cc1ccccc1F)N[C@@H]1CC12CCN(C(=O)C1CCC1)CC2 965363313 WDECZWRDYMUPGT-QGZVFWFLSA-N 344.430 2.666 0 50 EFAA COc1ccc(NC(=O)NCc2ccc(C(=O)O)cc2)cc1OC 2858270 QDNFFBPSNUZTMZ-UHFFFAOYSA-N 330.340 2.724 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 2860271 CBMJEWSEFIDMJX-UHFFFAOYSA-N 346.814 2.954 0 50 EFAA COc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 3910997 RLJZCFZGIVVNEA-QGZVFWFLSA-N 326.377 2.580 0 50 EFAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNCCc1ccccc1 4108277 CQWMYAPQINKJRK-OAHLLOKOSA-N 337.423 2.583 0 50 EFAA CC(=O)Oc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 4841038 IRAVSQXCXLGJJC-UHFFFAOYSA-N 337.335 2.592 0 50 EFAA COCCc1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)O)cc1 342279735 MFENTTKVLAQHSY-UHFFFAOYSA-N 349.408 2.683 0 50 EFAA CCS(=O)(=O)CCCNCc1ccc(Cl)c2cccnc12 414540275 GNNSPXBPLMMQSR-UHFFFAOYSA-N 326.849 2.803 0 50 EFAA CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 9198177 WPXUKNQGLOHDAM-GFCCVEGCSA-N 330.413 2.634 0 50 EFAA C/C(=C\c1ccco1)CN1CCN(Cc2ccccc2CO)CC1 55270008 RBYCTUSGFLHBKE-GHRIWEEISA-N 326.440 2.993 0 50 EFAA CCNc1ncc(C(=O)N(Cc2ccccc2C)[C@@H](CC)CO)cn1 55133648 YWZWYQXLFFMSDJ-KRWDZBQOSA-N 342.443 2.630 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2s1 55414298 DMUAEMYJXZRDGJ-UHFFFAOYSA-N 329.425 2.924 0 50 EFAA COc1cc(C(=O)Nc2cc(C)nc(C)c2O)cc(OC)c1OC 22016834 FAEYGTIFKSGTIU-UHFFFAOYSA-N 332.356 2.682 0 50 EFAA CCNc1ncc(C(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)cn1 65507513 IZRHIAXAFLFUKA-GFCCVEGCSA-N 342.399 2.513 0 50 EFAA COc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c(OC)c1 21806784 KDJVLKMIHGYDLE-UHFFFAOYSA-N 329.278 2.708 0 50 EFAA Cc1nccc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 67851109 OAWUEEKHAJYTJB-UHFFFAOYSA-N 334.379 2.952 0 50 EFAA CSCC[C@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)n1cccc1 409413580 IXWSSDCKUKTLGN-LLVKDONJSA-N 331.401 2.799 0 50 EFAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 67642155 FHKBRDWIFLSCEW-HNNXBMFYSA-N 326.444 2.828 0 50 EFAA CCCNc1ncc(CN2CCc3nc[nH]c3[C@H]2c2ccccn2)cn1 67742705 LBXNTCGAOLTCET-GOSISDBHSA-N 349.442 2.564 0 50 EFAA O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CC12CCNCC2 136880129 LRBNFTWLNBZDLZ-ZDUSSCGKSA-N 330.325 2.850 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@](C)(N)c1ccccc1)O[C@@H](C)C2 423709410 IRMKDFIVQWJRFR-RNODOKPDSA-N 340.423 2.509 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCOC[C@@H]1c1ccccc1 253430872 GCVGYZIKHUFCHC-CYBMUJFWSA-N 337.301 2.709 0 50 EFAA COc1ccccc1C(=O)N1[C@H](C(=O)NC2CC2)C[C@@H]2CCCC[C@@H]21 229853831 RUMOJFUKLXUBCD-JQFCIGGWSA-N 342.439 2.747 0 50 EFAA O=S(=O)(Nc1cccc2c1CN(c1ccccn1)C2)c1ccco1 253427058 KVJCSMZPVVUTAV-UHFFFAOYSA-N 341.392 2.996 0 50 EFAA O=C(NCCC1=CCCN(Cc2cnc[nH]2)C1)Nc1ccccc1 65488020 STAKOZHYLQGXQU-UHFFFAOYSA-N 325.416 2.754 0 50 EFAA CCOc1cc(C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)ccc1OC 252505317 KQNTUNKGJRRCFN-BBWFWOEESA-N 344.455 2.650 0 50 EFAA COc1cc(C)c(NC(=O)N(CCO)C2CCSCC2)cc1F 252501319 UDZBFPFENRZNMH-UHFFFAOYSA-N 342.436 2.865 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)c1cc(=O)c3ccc(C)cc3o1)C2 67856143 JKQHJBGCBXVKLH-UHFFFAOYSA-N 335.363 2.610 0 50 EFAA CN(Cc1cc2n(n1)CCNC2)Cc1cnc(-c2ccccc2)s1 72145468 BQKJVRMLYOKICW-UHFFFAOYSA-N 339.468 2.742 0 50 EFAA CCOC(=O)c1coc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 77440989 HMYLKVYAVYRHLG-UHFFFAOYSA-N 347.390 2.703 0 50 EFAA CCOc1cccc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1 6351587 KAWVZWJWZJFICX-CQSZACIVSA-N 334.269 2.506 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3sccc3C)CC2)no1 328630983 JZVYMNVBHOEFLM-CQSZACIVSA-N 348.472 2.875 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCc2cc3ccccc3nc2O)CCO1 329231307 FCIHDVZDNSQAIJ-QGZVFWFLSA-N 328.412 2.756 0 50 EFAA Cc1ccc2[nH]cc(C(=O)NCc3ccc4cc[nH]c4n3)c(=O)c2c1 359428022 RNHRRQFFSJFHSK-UHFFFAOYSA-N 332.363 2.643 0 50 EFAA C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@@H](C)N1 153857843 JRTMVKQLMCGNOG-OKILXGFUSA-N 336.863 2.597 0 50 EFAA Cc1nnc(-c2cccc(NC(=O)c3ccnc(-n4ccnc4)c3)c2)o1 363126059 AMERDZZUBMDTFL-UHFFFAOYSA-N 346.350 2.878 0 50 EFAA O=C1OCc2ccc(S(=O)(=O)N3CC[C@@H]3c3ccccc3F)cc21 364380248 WGZPKESYSOQEKY-MRXNPFEDSA-N 347.367 2.632 0 50 EFAA O=C([C@H]1CSCCS1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 239637030 BIIPFOIOSFHSEY-VXGBXAGGSA-N 339.486 2.502 0 50 EFAA NC(=O)c1csc(CN2CCC([C@H](O)c3ccccc3)CC2)c1 239619550 BFMUDGNQROMUSB-QGZVFWFLSA-N 330.453 2.793 0 50 EFAA CN(C(=O)CSc1ccccc1)c1cccc(S(C)(=O)=O)c1 155291236 KSOFEQJAOOOJBS-UHFFFAOYSA-N 335.450 2.845 0 50 EFAA Cc1cccc(NC[C@H]2CCN(C[C@H]3CC4(CCC4)C(=O)O3)C2)n1 240321534 FADOAUQSLGHKMP-HZPDHXFCSA-N 329.444 2.610 0 50 EFAA O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCCN1C(=O)c1ccco1 127566680 LUDAVEMQHMAPIN-HNNXBMFYSA-N 338.367 2.789 0 50 EFAA Cc1cnn([C@H](C)[C@@H](C)NCCC(=O)N[C@H](C)c2ccccc2)c1 240555625 GWQUEXIKDJTTST-BRWVUGGUSA-N 328.460 2.998 0 50 EFAA CCc1ccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)o1 39387632 LWIFEZOKWGIGOE-MRXNPFEDSA-N 332.444 2.812 0 50 EFAA CN1CCC(N(C)C(=O)c2sc(N)nc2-c2ccccc2)CC1 31972513 REUBVDHQRHVXME-UHFFFAOYSA-N 330.457 2.559 0 50 EFAA CN(CCCO)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 241124227 JGMZKDQLCQRSOQ-UHFFFAOYSA-N 347.459 2.729 0 50 EFAA CCn1nc(C)c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c1C 172818891 QJPUMUKJOZOLRB-GFCCVEGCSA-N 332.370 2.733 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)/C=C/c1cc(Br)ccc1F 237404548 VKCIAMZNZJRHOW-SNWMVGBSSA-N 341.224 2.940 0 50 EFAA O=C1CC[C@H]2CN(c3ccncc3)CC[C@H]2N1CCc1ccccn1 72438387 VFYYXXFEQPGWLK-QFBILLFUSA-N 336.439 2.537 0 50 EFAA CCCN(CN1C(=O)N[C@]2(C1=O)[C@@H](C)CCC[C@H]2C)CC(F)(F)F 241701789 QLCQNWUVXIBOHA-ATCWAGBWSA-N 349.397 2.965 0 50 EFAA O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(-c2nnc(S)o2)cc1 156951055 UMRQDBHFVCKAJT-KBPBESRZSA-N 345.424 2.713 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282694247 XOCXYSUAFLPEDQ-WBVHZDCISA-N 332.375 2.698 0 50 EFAA CCc1c[nH]c(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 129212344 SWFCWLRFCFGFEQ-OAHLLOKOSA-N 349.431 2.803 0 50 EFAA COC[C@]1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 262112435 BAHCHSXHLJDFGX-FQEVSTJZSA-N 339.391 2.917 0 50 EFAA COCCCN(C(=O)Nc1ccc(F)c(F)c1)C1CCN(C)CC1 72164726 HBMRTXUOVRANIE-UHFFFAOYSA-N 341.402 2.929 0 50 EFAA O=C(C1CC1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72146949 UKVVWKHUORGNKS-ZTFGCOKTSA-N 332.394 2.763 0 50 EFAA O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CC(Cc2ccccc2)C1 378499599 URSFTVMDMWVGRV-FQEVSTJZSA-N 348.446 2.992 0 50 EFAA O=C(c1ccc2ccccc2c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286252939 LDXNHFSRQVRWNC-GUDVDZBRSA-N 325.408 2.842 0 50 EFAA O=C(NCc1cccc(C(F)(F)F)n1)NC[C@H]1CCC[C@@H](CO)C1 458922642 IJORPYLEQJWVLX-NWDGAFQWSA-N 345.365 2.698 0 50 EFAA CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 245224825 FXHXZIYOUHPMFA-OUCADQQQSA-N 340.345 2.546 0 50 EFAA Cc1nc(C)c(C(=O)N2CCN(c3ccccc3C)C(=O)C2)s1 82087767 BWRBXORDOHVQJV-UHFFFAOYSA-N 329.425 2.557 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCc1ccncc1 496935283 AMMOIRXHJZSDCH-CVEARBPZSA-N 345.443 2.625 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)NCc1nc2ccc(C)cc2[nH]1 426360405 QCZYIDSOCJZCDX-UHFFFAOYSA-N 340.431 2.819 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 193902441 DLZDGYTVRMBHON-UHFFFAOYSA-N 346.862 2.567 0 50 EFAA CN(C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1CCCO 92080389 BBHZCBHXBLKJAK-CJNGLKHVSA-N 342.842 2.644 0 50 EFAA Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@](O)(CO)C2)c1 96179911 SMUBBPVBYFDVCC-IBGZPJMESA-N 342.395 2.748 0 50 EFAA Cc1nc(-c2cc3c(s2)CCN(C(=O)C2=COCCO2)C3)cs1 180258516 JPDLAKVQSMISBP-UHFFFAOYSA-N 348.449 2.953 0 50 EFAA CCc1csc(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)n1 95380008 DPVHUJUWMDNGCG-MRXNPFEDSA-N 330.457 2.554 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCCc2csc(CSC)n2)C1 95385306 QOMGPTXYIDMNIY-MRXNPFEDSA-N 341.546 2.787 0 50 EFAA O=C(Nc1ccc2c(c1)CN(C(=O)c1ccoc1)CC2)[C@@H]1CCCO1 95505749 BDABRHVEJKOWQY-KRWDZBQOSA-N 340.379 2.596 0 50 EFAA CO[C@@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 244796120 RTHGLKTUOIALHR-GOSISDBHSA-N 326.396 2.839 0 50 EFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1Cn1ccnn1 299744226 NZSFNGWFNYCFHP-AWEZNQCLSA-N 338.333 2.531 0 50 EFAA CCCN1CC[C@H](CNC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1 534663301 FXMYIZPDLHXAEI-CYBMUJFWSA-N 347.438 2.575 0 50 EFAA CCc1c[nH]c(SCC(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 163346247 WZKXJCYPJFEBPT-UHFFFAOYSA-N 349.481 2.913 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3c(F)cccc3F)cc2C1 299785912 OQDPEXWMWKETLK-UHFFFAOYSA-N 348.397 2.707 0 50 EFAA CC(C)n1nccc1NC(=O)NCC[C@@H]1COc2ccccc2O1 299783329 YAEMWBWGCJNMPI-CYBMUJFWSA-N 330.388 2.816 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1c[nH]nc1-c1ccccc1)CC2 299793581 INCPFBVDLVDDEQ-JENIJYKNSA-N 327.428 2.581 0 50 EFAA CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1nc2ccc(C)cc2[nH]1 822650322 DCRBFUAAVCCDDC-GFCCVEGCSA-N 348.428 2.906 0 50 EFAA COc1cc(C)c(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)cn1 584885197 VTVNGSIJJPANCR-KRWDZBQOSA-N 339.439 2.842 0 50 EFAA COc1ccc(CC(=O)NCc2ccc3nsnc3c2)cc1OC 670437817 ZLOMZTAONVPQBZ-UHFFFAOYSA-N 343.408 2.567 0 50 EFAA O=S(=O)(NCC[C@H](c1ccccc1)c1ccco1)N1CCCC1 670466601 IBDNXTRTZPYPCL-MRXNPFEDSA-N 334.441 2.732 0 50 EFAA CCc1ncnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c1F 685940275 BXNXIDRVIWTQIK-SGTLLEGYSA-N 343.406 2.997 0 50 EFAA O=C(CC1(O)CCCCC1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 408044266 TYVHUEKAGPPJEI-BBRMVZONSA-N 339.382 2.684 0 50 EFAA CCN(CC)CCSCC(=O)Nc1ccc2oc(CO)cc2c1 408518410 GEPUQVPINYVNBZ-UHFFFAOYSA-N 336.457 2.939 0 50 EFAA CC(C)(C)OC1CC(Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)C1 272261073 AQWIJFDFXRVKCH-ABHNRTSZSA-N 345.487 2.894 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)no1 275693445 MXLOIXVNGJNOQW-CQSZACIVSA-N 346.456 2.566 0 50 EFAA COC(=O)c1nsc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 170189061 NQTPQDIVQLRDLO-UHFFFAOYSA-N 335.429 2.870 0 50 EFAA COC(=O)c1cc(NC(=O)NCC(F)(F)C(F)F)c(F)cc1F 170616988 ZBJZMENTGYLTKR-UHFFFAOYSA-N 344.211 2.773 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 187491836 MPFUIRPLIRAZBB-LSDHHAIUSA-N 343.431 2.703 0 50 EFAA O=C(Nc1cnns1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 192362086 IXXPPJUEBRMIAU-MRVPVSSYSA-N 346.338 2.622 0 50 EFAA CNc1cc(N2CCC[C@H]2CN[C@@H]2CCCc3occc32)ncn1 192983026 AUGJNCIHQCDGFW-DZGCQCFKSA-N 327.432 2.747 0 50 EFAA CS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1 649443842 OMSHOWDRCJKPJG-UHFFFAOYSA-N 331.437 2.589 0 50 EFAA O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 194033063 JFDORANZHIHJJO-UHFFFAOYSA-N 348.399 2.504 0 50 EFAA Cc1ccn(CC(=O)N2CCCc3cccc(OC(F)F)c32)c(=O)c1 194705718 BZDYAUZHAPCNIP-UHFFFAOYSA-N 348.349 2.738 0 50 EFAA CC1(C)C[C@]1(C(=O)O)C(=O)Nc1cccc(Oc2cccnn2)c1 663062678 NBZVURZFLDXFND-QGZVFWFLSA-N 327.340 2.708 0 50 EFAA CCn1nc(C)cc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C 675976695 PLPVXYXONFVKKE-UHFFFAOYSA-N 331.372 2.949 0 50 EFAA Cc1noc(C)c1CN1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704343033 HZJBDYHHGOGZCG-LJQANCHMSA-N 341.459 2.627 0 50 EFAA CCC[C@H]1CN(Cc2cc3ccccc3o2)C[C@@H]1NS(C)(=O)=O 216936341 SEWPTAAFSDSPIE-HOCLYGCPSA-N 336.457 2.583 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)NCc1[nH]nc2ncccc12 1772810815 MJEGKYITDRVXFV-UHFFFAOYSA-N 349.419 2.940 0 50 EFAA COc1cccc(CNCC[C@H]2CCC(=O)N2CCCSC)c1 12036917 DNQHOUMATCMGKU-MRXNPFEDSA-N 336.501 2.919 0 50 EFAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(CCO)CC1 12299550 XDQXABOMLZXXDY-UHFFFAOYSA-N 325.836 2.520 0 50 EFAA OCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 13861677 OFLMIXVKBNAUIB-UHFFFAOYSA-N 339.464 2.839 0 50 EFAA biogenic,in-vitro NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 15836093 WZNQMERBKPHKKM-UHFFFAOYSA-N 334.184 2.533 0 50 EFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1 19772729 AUXMGDFJIRXPGJ-FQEVSTJZSA-N 340.467 2.865 0 50 EFAA CCn1nc(-c2nc(-c3ccc(F)cc3)nn2CCOC)cc1C 1857671744 ZTMAGZWERMDSGE-UHFFFAOYSA-N 329.379 2.922 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCC(C2CCNCC2)CC1 1857678877 BXHYDDNJLYFJEI-UHFFFAOYSA-N 327.428 2.609 0 50 EFAA CCc1nc(-c2ncccn2)sc1-c1nc(C)nn1[C@@H]1CCOC1 1857702048 XQQOGIXSMNJKJZ-LLVKDONJSA-N 342.428 2.691 0 50 EFAA Cc1cc(CN2CCN(C(=O)c3sccc3Cl)CC2)on1 225493336 BZCQYJJYAHBSBS-UHFFFAOYSA-N 325.821 2.656 0 50 EFAA Cc1cccc(C(=O)NC[C@H](CO)Cc2ccncc2Cl)c1C 408515444 XRYQOJXFDABOKM-CQSZACIVSA-N 332.831 2.933 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1CNC(=O)Cn1cnc(-c2ccccc2)n1 118962120 ZSJDWLPVHKQKAG-FUHWJXTLSA-N 342.443 2.513 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCC3)CCO2)o1 328609101 CGTYJPVFVMIKDS-INIZCTEOSA-N 341.411 2.691 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(C(=O)O)cc2)n1 236865197 AYRSYAGBWHUIBR-UHFFFAOYSA-N 333.775 2.882 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(CO)c1 242197010 XGYIUWYMPRDAKO-AWEZNQCLSA-N 348.805 2.980 0 50 EFAA O=C(c1ccncc1Cl)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348254776 GAMXSNOGYIBSQG-BMIGLBTASA-N 338.741 2.961 0 50 EFAA CS[C@@H]1CCCC[C@H]1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 252510767 BGBSNVSPRNOEIE-WFDRTZIDSA-N 325.522 2.975 0 50 EFAA O=C(Nc1cn[nH]c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 253416148 ASEHUDKCZAZRAG-LBPRGKRZSA-N 332.791 2.554 0 50 EFAA N[C@H]1CCCCCC[C@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 152163135 JCUFYJDRJPPACG-MSOLQXFVSA-N 349.519 2.535 0 50 EFAA O=C(c1occc1COc1ccccc1)N1CC[C@]2(CCNC2)C1 159008978 XHZNJZGKJRMAOJ-IBGZPJMESA-N 326.396 2.684 0 50 EFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)c1ccnn1CC1CCC1 902015463 JEIQTSYJZOHVLB-JKSUJKDBSA-N 339.395 2.726 0 50 EFAA COc1cccc(S(=O)(=O)Nc2cncc3c2CCCC3)c1OC 903642839 UAEPSHWRJULRSD-UHFFFAOYSA-N 348.424 2.778 0 50 EFAA Cn1cc(NC(=O)NCC[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)n1 930814164 OTKUNBMAXSRGCY-ONGXEEELSA-N 334.342 2.502 0 50 EFAA O=C(Nc1cccnc1)N[C@H](c1ccccc1)C1(CO)CCOCC1 874435439 SKJOLVKHLUGVEB-QGZVFWFLSA-N 341.411 2.734 0 50 EFAA CC[C@H](SC)c1nc(-c2ccnc(N3CCC[C@H](O)C3)c2)no1 952876746 VXZGJSVMPHSMBQ-STQMWFEESA-N 334.445 2.907 0 50 EFAA CC(C)[C@@H]1C[C@H](CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)c2ccccc21 1875296381 TYSAXIQDXDHREV-DAYGRLMNSA-N 347.480 2.978 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@H](C)N2CCCC[C@H]2C)[nH]1 1875255418 ZHBZWHJUMOMLDY-CABCVRRESA-N 325.460 2.944 0 50 EFAA CC[C@H](CC(=O)N1C[C@@H](C(=O)OC)Cc2n[nH]cc21)c1ccccc1 1875275579 YJBBOYVPNDULRH-HIFRSBDPSA-N 341.411 2.672 0 50 EFAA Cc1nc(C2CN(C(=O)c3cc(Cl)nc(Cl)c3C)C2)no1 1875369590 XHBSAKQVGSASCN-UHFFFAOYSA-N 327.171 2.628 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(OCC(F)(F)F)c2)cn1 1875381475 WJVFVDZJTHFBEQ-DMZKTXOQSA-N 341.333 2.624 0 50 EFAA CCN1CCN(C2CCN(c3cc(C)nc(C4CCC4)n3)CC2)C1=O 892375756 SJGQMYUVFQXFRN-UHFFFAOYSA-N 343.475 2.779 0 50 EFAA NCC[C@H]1CN(Cc2cccc(OCc3ccccc3)c2)CCO1 97578997 YZSBGNQSQULRJR-FQEVSTJZSA-N 326.440 2.815 0 50 EFAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(O)n1 374532508 XJBFOMPPPBPKBH-HNNXBMFYSA-N 325.412 2.524 0 50 EFAA CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc2c(c1)CNC2 2325739109 KLRHGVHRXQXAAO-UHFFFAOYSA-N 332.407 2.748 0 50 EFAA O=S(=O)(C[C@@H]1C[C@@H]2CCCC[C@@H]21)N1CC(COC(F)(F)F)C1 2325782766 DPJWKXXQIJSTQF-AVGNSLFASA-N 341.395 2.611 0 50 EFAA Cc1csc(-c2coc3cc(OCC(=O)O)cc(C)c3c2=O)n1 95653 ZEIRIYJTRSQIFR-UHFFFAOYSA-N 331.349 2.997 0 50 EFAA O=CN[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 442717 UIIFYOGJLZRDHE-MRVPVSSYSA-N 344.626 2.554 0 50 EFAA COc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 514367 DKYQCTCFASKTIN-GFCCVEGCSA-N 329.352 2.508 0 50 EFAA O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCNCC1 2848292 LQFHSRORASPQJN-MRXNPFEDSA-N 344.842 2.999 0 50 EFAA CCc1ccc(OC[C@H](O)CNC2CC(C)(C)NC(C)(C)C2)cc1 3683899 UDDXYEJJMSOPNQ-QGZVFWFLSA-N 334.504 2.888 0 50 EFAA CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)c2ccccc12 4574693 KZRMYWLJAGSQKM-INIZCTEOSA-N 341.436 2.517 0 50 EFAA Cn1cc(N2CC[C@@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cn1 110138745 KIJIJRJUYUTAET-LLVKDONJSA-N 342.346 2.732 0 50 EFAA COc1ccc(Cl)cc1NC(=N)Nc1nc2c(c(=O)[nH]1)CCCC2 9486088 UKCSPXHLOAEOGF-UHFFFAOYSA-N 347.806 2.769 0 50 EFAA O=C(c1ccc[nH]1)N1CCC(Cn2cc(Cc3ccccc3)nn2)CC1 23232084 BJGNVOQDFNQDHR-UHFFFAOYSA-N 349.438 2.749 0 50 EFAA COc1ccc(C)cc1NS(=O)(=O)c1cc(F)ccc1OC 10302015 KUQOCXARGZCEBH-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA C[C@H](NCCC(=O)Nc1cccnc1)c1cnn(-c2ccccc2)c1 65432271 IBLRMOHNLRETPH-HNNXBMFYSA-N 335.411 2.947 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1OC 347430043 DXKWCQNCPLECRE-RYUDHWBXSA-N 345.798 2.682 0 50 EFAA O=S(=O)(c1cccnc1)N1CCC(c2c(F)cccc2F)CC1 253429271 HASSCLCZKVSAEN-UHFFFAOYSA-N 338.379 2.928 0 50 EFAA CCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67851644 PXHATHUUPDYTOI-UHFFFAOYSA-N 333.399 2.794 0 50 EFAA COCCN1CC[C@H](C(=O)N(C)Cc2ccccc2OCC(C)C)C1 63835568 FWKNPDLAEPZWFR-SFHVURJKSA-N 348.487 2.648 0 50 EFAA Cc1cccc([C@H](C(=O)NCc2noc(-c3ccco3)n2)N(C)C)c1 65398586 MAILCZLJBVSGFQ-MRXNPFEDSA-N 340.383 2.557 0 50 EFAA Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F 280932387 BYEPSJDKFNZCSY-AWEZNQCLSA-N 341.383 2.614 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)CCO1 252497859 DYJXKUJKSPNJJV-CCKFTAQKSA-N 346.446 2.641 0 50 EFAA CO[C@@H](C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1)C(C)C 354013626 HKBHKHORUUQCGS-GOSISDBHSA-N 346.471 2.521 0 50 EFAA Cc1cccc([C@H](C(=O)N(Cc2nccn2C)C2CC2)N(C)C)c1 65374804 ZMFGRLWMJUEDQT-GOSISDBHSA-N 326.444 2.522 0 50 EFAA CCCc1nc([C@H](NC(=O)N[C@@H]2CCO[C@H]2C)c2ccccc2)no1 252512324 PHZYDOKVKAFACX-JGGQBBKZSA-N 344.415 2.588 0 50 EFAA CCN(CC)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1 4108784 XPUCXAUCNNBYIN-UHFFFAOYSA-N 348.424 2.685 0 50 EFAA CSc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1 72117795 AZHRAERKVAAWEB-AWEZNQCLSA-N 342.530 2.809 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)c1 71746659 GDCRCEJGTVEXEZ-CYBMUJFWSA-N 332.400 2.624 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 72147799 JHUOEMVPMNYBOZ-CQSZACIVSA-N 341.455 2.782 0 50 EFAA c1ccc(N2CCOCC2)c(CN2CCC[C@H](c3ccn[nH]3)C2)c1 121268205 FSDOVCZUWOHAIQ-INIZCTEOSA-N 326.444 2.626 0 50 EFAA Nc1nccnc1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 124041005 GAPWQHZNHKACJW-CVEARBPZSA-N 340.427 2.567 0 50 EFAA O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc2oc(O)nc2n1 328598374 MATXEIICUIJMTR-UHFFFAOYSA-N 340.339 2.897 0 50 EFAA C[C@]1(NCC(=O)O)CCN(Cc2csc(C3CCCCC3)n2)C1 328605077 MGPAUVIJWBOAFW-KRWDZBQOSA-N 337.489 2.829 0 50 EFAA COc1ccc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328655573 YMCQHFIYTGFNIO-HKUYNNGSSA-N 326.444 2.610 0 50 EFAA Cc1noc([C@H](NCc2ccc3c[nH]nc3c2)C2CCOCC2)n1 328627927 NDYASAHCISSISN-MRXNPFEDSA-N 327.388 2.512 0 50 EFAA CC(C)Cc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1 219853868 LREZRGNZYFLIEZ-HXUWFJFHSA-N 343.471 2.513 0 50 EFAA O=C(CCc1cscn1)NCc1ccc(-n2ccnc2)c(F)c1 363440104 SDRKDSWQPNSSLW-UHFFFAOYSA-N 330.388 2.717 0 50 EFAA COCCS(=O)(=O)Cc1nc(-c2c(F)cccc2F)cs1 125190088 JUZURLKXLJKNIL-UHFFFAOYSA-N 333.381 2.650 0 50 EFAA COc1ccccc1[C@H](C)CC(=O)N1CCN(Cc2ccon2)CC1 172798164 GHDOEGHAFVVGQY-OAHLLOKOSA-N 343.427 2.521 0 50 EFAA CCn1nccc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 331377334 FGIGFSXRXSZCMC-CYBMUJFWSA-N 331.395 2.833 0 50 EFAA COC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71754512 PAKKSYUKGRECKY-RCCFBDPRSA-N 328.456 2.500 0 50 EFAA Cc1nccc(-c2cccc(NC(=O)c3cnc(C4CC4)nc3N)c2)n1 376571580 BTNKSWQLJLJFCD-UHFFFAOYSA-N 346.394 2.954 0 50 EFAA COc1cncnc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 239807474 CSGQDKHWAZKGRX-MRXNPFEDSA-N 335.367 2.791 0 50 EFAA CC[C@@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nc(C)no1 72158703 NMMGDFWPKPDKMI-LLVKDONJSA-N 329.408 2.915 0 50 EFAA CCN(CC(=O)O)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 262964183 QPGCJHIWGKWOCE-SFHVURJKSA-N 344.455 2.504 0 50 EFAA O=C(Nc1cccc2c1CCNC2=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 333674443 YTJAFDYEUVRIJY-YEWWMAIHSA-N 339.439 2.919 0 50 EFAA COc1cccc(C[C@]2(C(=O)O)CCCN(Cc3cccnc3)C2)c1 71721522 PULZWFMYCIIPPF-HXUWFJFHSA-N 340.423 3.000 0 50 EFAA Cc1cc(C)c(CN2CCC[C@@H](c3ncn[nH]3)C2)c(-n2cccn2)c1 215710281 HNMFPFNBTREGTC-MRXNPFEDSA-N 336.443 2.987 0 50 EFAA Cc1nnnn1CCCN1CCC[C@@H](CCc2ccc(F)cc2)C1 72149089 ALTGUDYPOJIREQ-KRWDZBQOSA-N 331.439 2.856 0 50 EFAA O=C([C@H]1CC=CCC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72425371 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50 EFAA Cc1ccc([C@@H](C)NC(=O)CN2CCC3(CC2)OCCCO3)cc1C 292886123 CMSPWYTXPUYREJ-QGZVFWFLSA-N 346.471 2.710 0 50 EFAA Cc1cccc2ncnc(N3CCC(N(C)c4cccnn4)CC3)c12 267154129 DDAMGKZJXYFMOW-UHFFFAOYSA-N 334.427 2.833 0 50 EFAA CCN1CC2(CCN(C(=O)N(C)C)CC2)C[C@@H](c2ccccc2)C1=O 91460550 AQXCYXAOOPIWRZ-KRWDZBQOSA-N 343.471 2.786 0 50 EFAA O=C(NCc1ccc2cc[nH]c2c1)[C@H]1CC(=O)N(C2CCCC2)C1 91915038 LCSGYRHMKQTKLQ-HNNXBMFYSA-N 325.412 2.575 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)cn1 95377094 MSGCPVCLOARGKJ-QGZVFWFLSA-N 325.412 2.860 0 50 EFAA Cc1cc2cccc(C(=O)N3C[C@H](CO)[C@H](CN4CCCC4)C3)c2o1 91586542 DCVBOWHHRDNSLU-IAGOWNOFSA-N 342.439 2.518 0 50 EFAA CC1(C)CNC(=O)c2nc(-c3nc(-c4ccccc4F)no3)[nH]c2C1 95528700 VLDKGUDDARCELY-UHFFFAOYSA-N 341.346 2.578 0 50 EFAA CC[C@@H](C(=O)Nc1nccs1)N1CCC(Cn2ccnc2C)CC1 240228062 KFOJRQKSZGYMCU-HNNXBMFYSA-N 347.488 2.777 0 50 EFAA Cc1nc([C@@H]2CCCN(CC(=O)N[C@H](C)CCCC(C)C)C2)no1 248075330 ZQRNLKWLUJRGQY-GDBMZVCRSA-N 336.480 2.888 0 50 EFAA Cc1cnc(CCN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 246503473 KGIDLNDZEKZQHZ-FVQBIDKESA-N 349.500 2.983 0 50 EFAA Cc1nccn1CC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 297413708 LXMCNUIIGXYHGT-LLVKDONJSA-N 325.334 2.958 0 50 EFAA O=C(CN1CCC([C@H](O)c2ccccc2)CC1)Nc1nccs1 298100534 MPOWABSMAVHSHZ-MRXNPFEDSA-N 331.441 2.527 0 50 EFAA C[C@@H](CC(=O)N1CC[C@H](CN)C1)c1ccccc1Br 299739304 NEASLVAJUQKTJK-NWDGAFQWSA-N 325.250 2.750 0 50 EFAA CCc1oc2c(Cl)cc(NC(=O)N(CCO)CCO)cc2c1C 299800883 WFZCHEPWTMALNJ-UHFFFAOYSA-N 340.807 2.776 0 50 EFAA COc1cnc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)cc1O 299775506 JUKQTMQVHRGLRJ-UHFFFAOYSA-N 342.395 2.788 0 50 EFAA CN(C)[C@H]1CN(C(=O)Nc2cccc(-c3cccc(F)c3)c2)C[C@@H]1O 299783614 WCPOYDZYMGFDOD-ROUUACIJSA-N 343.402 2.631 0 50 EFAA C[C@@H](c1nc(Cc2cccs2)nn1CCO)N1CCCCCC1 828777009 RDTQUWRSFJGJBA-AWEZNQCLSA-N 334.489 2.860 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)/C=C/c1cc(CO)cs1 952988805 KVPGDGUGKWSMKU-LFAOLKIESA-N 329.421 2.716 0 50 EFAA CN1[C@H]2CC[C@@H]1CCN(c1nc(C3CCCC3)nc3c1cnn3C)C2 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2.725 0 50 EFAA O=C(c1cccnc1)c1nccn1C[C@@H](O)c1cc(F)ccc1F 186766510 LSZIMRLQNIAZMV-OAHLLOKOSA-N 329.306 2.521 0 50 EFAA O=C(CCc1ccncc1)N1CCO[C@H](c2ccc(F)cc2F)C1 186893545 VYIDWKKUCBUJNW-KRWDZBQOSA-N 332.350 2.893 0 50 EFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1cnn(-c2ccc(Cl)cc2)n1 741254493 AWFGIAGWEWYPPM-OAGGEKHMSA-N 332.835 2.824 0 50 EFAA COc1cccc(C2CCN(CC(=O)NCC(F)(F)F)CC2)c1 194882751 KQMOOCHWWMVLQO-UHFFFAOYSA-N 330.350 2.553 0 50 EFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(CC(F)(F)F)C1 654557496 GRZMOFDPEBZTFB-AWEZNQCLSA-N 340.345 2.765 0 50 EFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)cc1C 212830960 ASNBEDBZZXYTCN-WMZOPIPTSA-N 328.456 2.950 0 50 EFAA CCCCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 5309130 BZEMNWGOERTXSJ-UHFFFAOYSA-N 335.415 2.893 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 12403788 LXHLXOMDHLBJJA-CABCVRRESA-N 332.400 2.656 0 50 EFAA O=C(CSc1ccccn1)N1CCO[C@@H](Cc2ccccc2)C1 12448884 VZZBEZOOADBNJN-INIZCTEOSA-N 328.437 2.644 0 50 EFAA COc1ccc(CC[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 12583974 XYIDXTOZZJGDDQ-MRXNPFEDSA-N 327.428 2.914 0 50 EFAA CO[C@@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 15065348 VRGCWRQZTXGGRD-MRXNPFEDSA-N 338.411 2.664 0 50 EFAA COc1ccc(-c2nc(CN(C)[C@H]3CCOC3)c(C)o2)c(OC)c1 19595217 ANIHLRDMSALESP-ZDUSSCGKSA-N 332.400 2.888 0 50 EFAA COC(CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)OC 225450826 DPUKINGLQLEEPX-GOSISDBHSA-N 342.439 2.653 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CCC(=O)O)C1CCOCC1 237630865 MPGFDKHQVURPKN-IRXDYDNUSA-N 331.412 2.581 0 50 EFAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc(-c3ccco3)o2)C1 246632094 JBKVJLRKIWGSIP-RISCZKNCSA-N 347.321 2.916 0 50 EFAA O=C(CCCOc1cccc2ccccc12)N1C[C@@H](F)C[C@H]1CO 347401433 UQUUIUDXUOLGDC-HOTGVXAUSA-N 331.387 2.930 0 50 EFAA CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)CCO1 353785661 JDHYYRWWWGNYQB-AXBCGAQBSA-N 338.473 2.551 0 50 EFAA CC(C)[C@@H](CNC(=O)NCc1cc(C(N)=O)co1)Cc1ccccc1 252540101 OSYXLTXUKNTYDJ-OAHLLOKOSA-N 343.427 2.693 0 50 EFAA O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1c[nH]nc1C1CC1 253427852 FGJHGAILIUQTNY-INIZCTEOSA-N 344.459 2.588 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@H]1CC12CCOCC2 364201041 MMZKPBOEINQVOT-ZWNOBZJWSA-N 341.766 2.538 0 50 EFAA CC(C)(C)c1nsc(N2CCN(C(=O)c3ccccc3O)CC2)n1 158084698 LHILMMNVRJZESN-UHFFFAOYSA-N 346.456 2.504 0 50 EFAA COc1ccc(OCC(=O)N2CCCN(C3CCCC3)CC2)cc1 265712768 HQCXKTOENACJKQ-UHFFFAOYSA-N 332.444 2.551 0 50 EFAA CCN(Cc1cccs1)S(=O)(=O)Cc1cccc(C(=O)O)c1 387008520 ARBGZSAIHNTDNM-UHFFFAOYSA-N 339.438 2.798 0 50 EFAA Cc1nc(CC2CCN(C(=O)Nc3cccc4c3CCO4)CC2)no1 931220550 RGMWWKMAKIFZSU-UHFFFAOYSA-N 342.399 2.800 0 50 EFAA CCOc1cccc(CNC(=O)CN2CCC(c3ncco3)CC2)c1 931449056 RTGBYFHMFCRFHI-UHFFFAOYSA-N 343.427 2.569 0 50 EFAA Cc1nc(CC(=O)Nc2ccc(O[C@@H](C)C(=O)O)c(F)c2)cs1 864170916 OINRKGKAXHBFNQ-QMMMGPOBSA-N 338.360 2.624 0 50 EFAA CN1C(=O)CCc2cc(CN[C@H]3CCO[C@@H]3c3cccnc3)ccc21 952845115 KIMBLHFTAWEAAF-FXAWDEMLSA-N 337.423 2.610 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CCC[C@@H]2[C@H]1C2(F)F 1875304683 QXHXIAAHQREBPX-TULHTLCESA-N 327.371 2.962 0 50 EFAA CC(C)(C)OC(=O)Cn1[nH]c(=N)c2ccc(Br)cc21 1875391538 XWAPROLPMRVGAH-UHFFFAOYSA-N 326.194 2.553 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cnc3c(Cl)cccc3c2)cn1 1875378710 JHKAPHGUTKPKFZ-FPTDNZKUSA-N 328.803 2.885 0 50 EFAA COC(=O)/C=C/CCNC(=O)[C@@H](C(C)C)n1c(C)nc2ccccc21 1875311823 NLBYFHYCACDFFP-JGZYNSJSSA-N 343.427 2.777 0 50 EFAA O=C(Cc1cccnc1)Nc1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1 1875385215 OLVWHLXCYYJLQN-WZONZLPQSA-N 337.423 2.736 0 50 EFAA Cc1nonc1C(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1 887613567 IZEHTPGLRYCVMU-UHFFFAOYSA-N 340.427 2.605 0 50 EFAA FC(F)(F)COc1ccc(CCNc2n[nH]c(C3CC3)n2)cn1 1776006671 SSVAGXIBKLWBNK-UHFFFAOYSA-N 327.310 2.673 0 50 EFAA O=C(NCc1cccnc1O)[C@@H](CCCO)Cc1cccc(Cl)c1 2325805177 WLAUJRZFELJCED-AWEZNQCLSA-N 348.830 2.688 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)[C@H]2Cc3ccccc3CO2)C(=O)O)c1 851607190 VNVBNTGPSJLLNI-QZTJIDSGSA-N 339.391 2.687 0 50 EFAA O=C(Nc1n[nH]c2c1COCC2)c1nc2ccccc2nc1C1CC1 899250728 MPYXRXXKCOYOBQ-UHFFFAOYSA-N 335.367 2.555 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](N)c1ccccc1 131825731 NYBKGBHOIUIIMC-VQTJNVASSA-N 349.434 2.767 0 50 EFAA CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ncncn2)CC1 185634 ZMPITISDNGXQRE-UHFFFAOYSA-N 334.420 2.738 0 50 EFAA Cc1nc(NC(=O)CSc2nnc(-c3ccco3)n2C)sc1C 416263 MHNYUKXHWHGBFE-UHFFFAOYSA-N 349.441 2.879 0 50 EFAA COC(=O)c1cc(NC(=O)c2ccccc2OC)cc(C(=O)OC)c1 442235 KKIIXOXYEBCWDN-UHFFFAOYSA-N 343.335 2.521 0 50 EFAA Cc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2n1 1164156 XYALGWLHVWIFAT-UHFFFAOYSA-N 346.342 2.954 0 50 EFAA O=C(O)c1nc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)ccc1Cl 2356139340 PMZQGHIYYNELFQ-MRXNPFEDSA-N 332.791 2.641 0 50 EFAA CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 2874532 SMGPTHZCZVFMPQ-UHFFFAOYSA-N 336.388 2.511 0 50 EFAA CCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 4142642 YNAFRFGPQZDTDS-UHFFFAOYSA-N 329.396 2.919 0 50 EFAA CCOc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 4993419 VQKGTTLTFPHRPE-UHFFFAOYSA-N 339.351 2.541 0 50 EFAA COC1([C@@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 421730124 VETHIZBENCTRHK-LLVKDONJSA-N 347.333 2.899 0 50 EFAA Cc1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n(C)n1 417751365 PHJSJXQDJCNZRP-UHFFFAOYSA-N 336.443 2.893 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2c(=O)o1 280665347 FUCWUMLQIKITEY-SCLBCKFNSA-N 345.420 2.578 0 50 EFAA CCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cn1 55393570 RQBNSZRIBCANJB-UHFFFAOYSA-N 332.473 2.613 0 50 EFAA CCOc1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1OC 116478979 PPNPLUMUXNPCRH-ZDUSSCGKSA-N 344.415 2.849 0 50 EFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC([C@@H](O)c2cccs2)CC1 67771529 IVJQCKQFIIBOLD-MRXNPFEDSA-N 331.441 2.934 0 50 EFAA O=C(NCCN1CCCC1=O)c1cccc(-c2ccccc2F)c1 65395599 YCFDXFJHGIBKFR-UHFFFAOYSA-N 326.371 2.845 0 50 EFAA COCc1ccc(CN2CCC[C@H](N(C)CCc3ccccn3)C2)o1 20908821 UCIBBXYOWYQOIB-SFHVURJKSA-N 343.471 2.960 0 50 EFAA CN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 67982576 VKFKLJPIJINWJH-SNVBAGLBSA-N 337.272 2.614 0 50 EFAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 1363795169 RBNPYUXXGWFAKJ-HOCLYGCPSA-N 333.453 2.730 0 50 EFAA CC(C)CCOc1ccc(C(=O)N[C@H](C)c2nnnn2C2CC2)cc1 252482625 DLIDFTNKUMEIIO-CYBMUJFWSA-N 343.431 2.924 0 50 EFAA COc1ccc(-c2cnnc(N(C)CCC3CCOCC3)n2)cc1 11818663 PMHFOEUGWZHLKF-UHFFFAOYSA-N 328.416 2.800 0 50 EFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNC1CCCC1 67787500 ZGWPUEHCYLMLJJ-FQEVSTJZSA-N 330.472 2.505 0 50 EFAA Cc1nnc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1C1CC1 328648472 UPWRMAJSPUBGPZ-QGZVFWFLSA-N 340.475 2.871 0 50 EFAA CN1CC[C@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)[C@@H]2C1 253425981 DRQWYKAXILVREL-MAUKXSAKSA-N 343.471 2.854 0 50 EFAA O=C(NCC1CCN(Cc2cccs2)CC1)c1cc(C2CC2)[nH]n1 145731968 GEIMNQZCPAZKBE-UHFFFAOYSA-N 344.484 2.991 0 50 EFAA O=C1OCCN1c1cccc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 252670728 LNRWSJYFIDAVQC-YXAMBPQSSA-N 327.384 2.905 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)Nc2cnn(C[C@H]3CCCO3)c2)cc1 363999691 JHNZOIDPKJOBPC-CXAGYDPISA-N 344.415 2.510 0 50 EFAA CC[C@@H](C(=O)N1Cc2cnc(-c3ccccc3)nc2C1)n1cccn1 67822101 LVLNBUDFJHBIPY-KRWDZBQOSA-N 333.395 2.834 0 50 EFAA C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1cccc(Cl)c1 229308391 ISYLFSCKVQCFDE-SLEUVZQESA-N 330.881 2.661 0 50 EFAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 253395223 QECASJJDPQWXAX-BXUZGUMPSA-N 347.321 2.916 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(N(C)C(N)=O)c1 253395060 DZPDNQSEATYHRQ-JKSUJKDBSA-N 339.395 2.952 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC1CCOCC1 172192686 MQYKMCSBACTCAC-QGZVFWFLSA-N 332.444 2.833 0 50 EFAA CC(=O)c1ccc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 253427937 BJFGELKQTSKKFC-MRXNPFEDSA-N 327.359 2.636 0 50 EFAA CC1=NN(C(=O)c2ccc(-n3cccc3)cc2)[C@](O)(C(F)(F)F)C1 4151070 QRWYOLPKBHTXJZ-OAHLLOKOSA-N 337.301 2.950 0 50 EFAA CN(C(=O)NC[C@H]1CCSC1)[C@@H]1CCCN(c2ccccc2)C1=O 253428695 QXLNPKWWRKSMDX-GDBMZVCRSA-N 347.484 2.577 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N(C)C[C@@H](O)c1cccnc1 1363896812 ZMBYWJHKOBMGMB-CVEARBPZSA-N 332.375 2.570 0 50 EFAA CC(C)NS(=O)(=O)CCNCC(c1ccccc1)c1ccccc1 180233625 NBGPXVXGPXJVKP-UHFFFAOYSA-N 346.496 2.736 0 50 EFAA C[C@@H](O)C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 153917601 RJEGIHFJHYUXQU-QGZVFWFLSA-N 344.499 2.908 0 50 EFAA Fc1ccccc1OCCN(Cc1cncnc1)[C@H]1CCCNCC1 435727432 XPYYHCPFXFIYCK-KRWDZBQOSA-N 344.434 2.639 0 50 EFAA Cc1oc2c(c1C(=O)N1CCC(c3ncc[nH]3)CC1)C(=O)CCC2 72425723 LIGHXNSOUQDDPF-UHFFFAOYSA-N 327.384 2.850 0 50 EFAA CCc1oc(C(=O)NC[C@H]2CCCN(C)C2)cc1CN1CCCC1 71278657 NVDRMPXSRKDHER-OAHLLOKOSA-N 333.476 2.509 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 72420115 AEBDCLXUXYWWGJ-UHFFFAOYSA-N 337.427 2.852 0 50 EFAA Fc1cc(F)cc([C@@H]2CN(Cc3c[nH]cn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72148709 RYJJYCCBKZXZAI-IPMKNSEASA-N 344.409 2.750 0 50 EFAA COc1cccc(SCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c1 262368116 KYEZSSOXNWRVGY-CQSZACIVSA-N 335.425 2.501 0 50 EFAA COCCCN1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71735595 XGNWXTOPZGZXIZ-SFHVURJKSA-N 336.451 2.921 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219029362 BUSRREJGYZKNSA-XVVDYKMHSA-N 339.439 2.815 0 50 EFAA COC(=O)C1(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1 241401154 NBOBOOMGOSVGKZ-UHFFFAOYSA-N 326.352 2.552 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc2nc(S)[nH]c12 241774175 RNROYIGMVFGYBY-CUOATXAZSA-N 347.415 2.678 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)Nc1nc(-c2ccncc2)nc2c1cnn2C 72161157 QJBLAZOIKCELSG-JTQLQIEISA-N 348.414 2.938 0 50 EFAA CCc1ncnc(N[C@H](c2nccn2CC)C2CCOCC2)c1F 284615635 RGBGHVAKQCGEIE-HNNXBMFYSA-N 333.411 2.974 0 50 EFAA CC1(C)CN(C(=O)c2cnc(C3CC3)nc2)C[C@@](C)(C(F)(F)F)O1 452151910 OHTKJMQYVUIIAQ-HNNXBMFYSA-N 343.349 2.926 0 50 EFAA O[C@H](CN1CC[C@H](OCc2ccncc2)C1)c1c(F)cccc1F 287846846 QYDLWEHEDWGKIW-WMLDXEAASA-N 334.366 2.684 0 50 EFAA O=C(Cc1ccc(C(=O)O)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1 263359927 TUDDXWGETQNHCL-ROUUACIJSA-N 339.391 2.964 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)n1 263484742 VHICHXHSXHYBJF-WBVHZDCISA-N 343.427 2.605 0 50 EFAA C1CCN([C@@H]2[C@@H](NC3CCN(C4CCCC4)CC3)[C@H]3CCO[C@H]32)CC1 223273604 NSYLWNLWFZWGDF-PLACYPQZSA-N 347.547 2.625 0 50 EFAA CNC(=O)[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1 222341640 KTEZZPNGKOGFMK-GOSISDBHSA-N 337.423 2.504 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 178266123 FVQHPYAYQKSALU-BTDICHCPSA-N 330.771 2.835 0 50 EFAA Cc1ccnc(NCCNC(=O)[C@H](c2ccccc2C)N(C)C)c1 95357322 YBAKETMGZJYIEO-SFHVURJKSA-N 326.444 2.529 0 50 EFAA CCCC[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1F)C(N)=O 426641496 XHELKFAIRFXYRU-GFCCVEGCSA-N 349.328 2.688 0 50 EFAA COc1cc([C@H](C(=O)O)N2CCSCC2)cc(C(F)(F)F)c1 95361796 OIWMYWCILUNONI-GFCCVEGCSA-N 335.347 2.889 0 50 EFAA CCCN1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(F)cc2)CC1 95510162 LKBDKOGDTUPWJK-KRWDZBQOSA-N 336.407 2.580 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c(C)c1 162017988 FCEUIUKQPRBZJD-NVXWUHKLSA-N 345.443 2.824 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 91426913 QGBGWJURGDFFTH-OAHLLOKOSA-N 342.443 2.642 0 50 EFAA CN(C)S(=O)(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91604935 QYGSRSCYPABZDM-UHFFFAOYSA-N 344.480 2.875 0 50 EFAA COc1ccc(NC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl 243885637 ABDFHENJUAQYPM-GFCCVEGCSA-N 348.834 2.890 0 50 EFAA CN1CCCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 180658781 QSRXYACKCWRFKI-INIZCTEOSA-N 347.459 2.804 0 50 EFAA COCCN1C[C@H](Cc2cc(C)c3cccc(OC)c3n2)CC1=O 244724513 MVLHERYCKLZMSW-CQSZACIVSA-N 328.412 2.589 0 50 EFAA Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 181107273 GZVOEPKSAJDUFX-UHFFFAOYSA-N 347.440 2.813 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)c3cc(O)nc4ccccc34)c2)n1 183715589 HRXJKZVINPOFIB-UHFFFAOYSA-N 345.362 2.988 0 50 EFAA O=C(NC1CCCC1)C1(CCO)CCN(Cc2ccccc2)CC1 299804085 XXCXELKBACUUMO-UHFFFAOYSA-N 330.472 2.710 0 50 EFAA O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCCCC1 263618066 RCOFYDVQCMSMFR-HNNXBMFYSA-N 346.818 2.829 0 50 EFAA C[C@@H](C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)n1cnc2ccccc21 288445697 YWSKETOJTUQDJG-BVZIGLSBSA-N 339.439 2.797 0 50 EFAA Cc1nccn1CC[C@@H](NC(=O)C1CCOCC1)c1ccccc1 299798682 VIMAQKCZYOCPHF-GOSISDBHSA-N 327.428 2.866 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 825584091 GVCATNROHUATMC-INIZCTEOSA-N 335.835 2.790 0 50 EFAA Cc1noc(CN(C)C(=O)NCCCSC2CCCCC2)n1 584901039 SZCQEWNOHYVVLU-UHFFFAOYSA-N 326.466 2.975 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc2C1 952963673 LNGIBYXKFUGCCS-UHFFFAOYSA-N 342.804 2.528 0 50 EFAA Cc1cccc(CN(Cc2ccccc2)C(=O)Cn2nc(C)cc2N)n1 952970740 AUYOXKCXWUFTRU-UHFFFAOYSA-N 349.438 2.706 0 50 EFAA CN(C)Cc1nc(C(=O)Nc2cccc(-c3cnc[nH]3)c2)cs1 952971029 GULMVQDVXLAFBC-UHFFFAOYSA-N 327.413 2.847 0 50 EFAA COCCOc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 268953206 UZVNXBHFVDQNTB-XYPHTWIQSA-N 347.411 2.570 0 50 EFAA CC[C@H](c1ccccc1)N1CCN(c2nccn3cnnc23)[C@H](C)C1 269621478 DYOWHKBQBCKRLU-NVXWUHKLSA-N 336.443 2.786 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](NC(=O)NCCc2nc3ccccc3[nH]2)CCO1 270621453 KBDZVLFDPGBQQO-XJKSGUPXSA-N 344.459 2.998 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2Nc2nccc(C(F)(F)F)n2)cn1 275548584 NERGRUOLISFDAT-CMPLNLGQSA-N 327.310 2.561 0 50 EFAA CCOc1cc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)ncn1 275736675 VBABGEHJDGMLFM-HNNXBMFYSA-N 327.432 2.829 0 50 EFAA Cc1n[nH]c(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C 191778389 ZOLZDKKZVOPXMV-UHFFFAOYSA-N 333.335 2.932 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(C(F)(F)F)cs1 647946056 JZKBZMWTELNZJJ-NSHDSACASA-N 341.358 2.839 0 50 EFAA O=C(Cc1ccc(Br)cc1F)N[C@@H](CC1CC1)C(=O)O 659142782 QMRAPVZOAHLJHY-LBPRGKRZSA-N 344.180 2.500 0 50 EFAA Cc1cccc2c1CN(c1ccccc1S(=O)(=O)N(C)C)CC2 663844027 REOXKBWDGSSNAT-UHFFFAOYSA-N 330.453 2.808 0 50 EFAA CC1(C)C(=O)N[C@H]1c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 665178730 IJMFORUOQUTSOJ-INIZCTEOSA-N 329.421 2.954 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@@H](CO)[C@@H](O)C1 216960845 WSBYFBWKTBMLLS-WMZOPIPTSA-N 326.396 2.561 0 50 EFAA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CC(=O)O 217024490 MOXGCULBLSUQQV-HNNXBMFYSA-N 334.416 2.583 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3csc(C)n3)C1)CC2 1704345458 YTFGBJREGLBUHL-SFHVURJKSA-N 342.468 2.599 0 50 EFAA Cc1[nH]nc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)c1Cl 1772809166 NYFXVYONZBWQHA-UHFFFAOYSA-N 327.775 2.510 0 50 EFAA C[C@H](OC(=O)[C@@H]1CC=CC[C@H]1C(N)=O)C(Cl)=C(Cl)Cl 12380269 QHERVRWMFPILRD-XLPZGREQSA-N 326.607 2.871 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C 16577336 JUOAZZKDQLLNFZ-ZIAGYGMSSA-N 327.446 2.582 0 50 EFAA Cc1ccc(-c2cccc(C(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)c2)o1 1857669751 UPVAHBODYZGYRM-FXAWDEMLSA-N 341.407 2.726 0 50 EFAA COc1ccc(CCC(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc1F 408469638 PONVUKFADBJUFN-HNNXBMFYSA-N 346.406 2.947 0 50 EFAA C[C@H](NC[C@@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1 225583172 STQGWJWPAJFOHU-CVEARBPZSA-N 349.438 2.988 0 50 EFAA Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cnn1C(C)C 331656345 SKQQHCJSISWEAE-DOTOQJQBSA-N 331.391 2.860 0 50 EFAA O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CC(=O)N(C2CCCCC2)C1 642138960 UZJZITUECQSYBS-ZDUSSCGKSA-N 326.400 2.683 0 50 EFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)O 237489027 NWXSEPAMXYCWIH-MFKMUULPSA-N 329.318 2.960 0 50 EFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)ccc1F 238092704 YZMXIKVSZZDDBQ-NSHDSACASA-N 329.755 2.575 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccsc3)C1)CC2 1704326463 FHVHGKMWVRRQFC-SFHVURJKSA-N 342.468 2.724 0 50 EFAA Cc1ncc(C(=O)O)cc1C(=O)N(Cc1ccccc1)CC(C)(C)O 911455462 XVQGFOQFIGHZTE-UHFFFAOYSA-N 342.395 2.502 0 50 EFAA COc1cc(Cl)c(C)cc1NC(=O)CN1Cc2c[nH]nc2[C@H](C)C1 931457216 ICSJYNBXPAANHY-LLVKDONJSA-N 348.834 2.938 0 50 EFAA CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3ccccc3C3(C)CC3)CC[C@@H]21 935901116 NQBLHEPMOPIJOB-SJORKVTESA-N 341.455 2.755 0 50 EFAA Cn1ncc(C2CCC2)c1C(=O)NCc1cccc2nsnc12 952992399 MACYRFNXLXNUFY-UHFFFAOYSA-N 327.413 2.622 0 50 EFAA CC(C)[C@@H](c1nc(-c2ccc3nccnc3c2)no1)N1CCCC1=O 952993415 HBKPLSWGFWCRKN-INIZCTEOSA-N 337.383 2.999 0 50 EFAA COC(=O)c1ccccc1CC(=O)N1CCC(n2cccc2)CC1 1875256853 QTVGOAVMBXHITL-UHFFFAOYSA-N 326.396 2.681 0 50 EFAA Cc1cnc(O)c(CNC(=O)N2CCSc3ccccc3C2)c1 1875276734 VYYKXZCPNTYUHK-UHFFFAOYSA-N 329.425 2.913 0 50 EFAA O=C1OCCN1c1ccc(CC(=O)N2CCCc3cccnc32)cc1 1875266865 RCXZGWYUXUIIRY-UHFFFAOYSA-N 337.379 2.560 0 50 EFAA Cc1nc2c([nH]1)C[C@@H](NC(=O)CCOc1ccc(C)c(C)c1)CC2 1875276386 VSXRLFLQUVZCRJ-HNNXBMFYSA-N 327.428 2.778 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CCN(CC)C[C@H]2C)cc1 1875373434 ARBUEDRRQFBQSJ-CRAIPNDOSA-N 343.471 2.638 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1CCC(CCC(=O)O)CC1 1875306135 USZJQTWUJYEJTE-UHFFFAOYSA-N 333.432 2.795 0 50 EFAA CC(=O)N1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C(F)(F)F 886034100 OKRISHITAYTVNU-ZIAGYGMSSA-N 332.366 2.935 0 50 EFAA CCc1nsc(N2CCC[C@H]2c2ncc(Br)cn2)n1 895710608 MXMSZQGYSSQQNB-VIFPVBQESA-N 340.250 2.995 0 50 EFAA Cc1nccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N(C)C)n1 1775991967 NWVUJTUAAHEMGD-LLVKDONJSA-N 331.395 2.551 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@@H]1c1ncccn1 898963420 LTUNMWWKHOFESG-YRNRMSPPSA-N 335.407 2.881 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2coc(Br)c2)C1 381006109 JJOJXDXGNUJIQE-SFYZADRCSA-N 341.127 2.536 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)NCc1csc(Cc2ccccc2)n1 2100555598 YKMMQBYOBIETNK-OAHLLOKOSA-N 349.525 2.819 0 50 EFAA O=C(c1cc(F)cc2cnccc12)N1CCC[C@H]([C@H]2CCCN2)C1 2325786328 CMVZXQPJNGJRIX-SCLBCKFNSA-N 327.403 2.978 0 50 EFAA CO[C@H](C(=O)Nc1cccnc1OCc1ccccc1)[C@@H]1CCCO1 2325797233 AMMOHVYOWBTZSQ-IRXDYDNUSA-N 342.395 2.793 0 50 EFAA C[C@@H](C(=O)NC[C@@H](N)C1CC1)c1ccc(C(=O)c2cccs2)cc1 2325815722 IZJHWHVBMOWTQY-MLGOLLRUSA-N 342.464 2.936 0 50 EFAA CSc1cc(C)c(-c2nc(-c3ccn4c(O)nnc4c3)no2)o1 2325870491 ZPXXXRZBYIFYHS-UHFFFAOYSA-N 329.341 2.775 0 50 EFAA O=C(N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1(O)CCOCC1 122597360 JIVXOICHMHMYSY-LJQANCHMSA-N 337.419 2.702 0 50 EFAA CCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2ccccc21 299940 IYTUNTGTNWWZLV-IBGZPJMESA-N 325.364 2.522 0 50 EFAA COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C 310863 PJVNLYMGSBPZMJ-UHFFFAOYSA-N 349.408 2.519 0 50 EFAA aggregator COc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 352101 RIFQOTPGDNQCTB-WFASDCNBSA-N 342.317 2.948 0 50 EFAA CCCCOc1ccc(C(=O)N2CCN(C(=O)OCC)CC2)cc1 2881691 HGVLOMZNMZOKGA-UHFFFAOYSA-N 334.416 2.780 0 50 EFAA CCc1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1 2991687 UAGYCHIUFIDACX-UHFFFAOYSA-N 326.396 2.555 0 50 EFAA CCCCOc1ccc(N2C(=O)C[C@@H](NCc3ccco3)C2=O)cc1 4866290 GQEQQLHHZANKNH-QGZVFWFLSA-N 342.395 2.880 0 50 EFAA Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 4938643 NZYQPGQBUNWAOA-UHFFFAOYSA-N 325.393 2.962 0 50 EFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1 6698259 GIEHGPMXMIPVGO-CYBMUJFWSA-N 326.418 2.818 0 50 EFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 6707017 FIFXTVHJTDLNLL-UHFFFAOYSA-N 337.422 2.996 0 50 EFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cc(C)cc2C)C1 10302609 MESAAPWBTKPXFI-HNNXBMFYSA-N 338.473 2.612 0 50 EFAA CN(CC1CCC1)C(=O)c1cc(Br)cnc1N(C)C 225385710 CPUBYXPQTLEPHS-UHFFFAOYSA-N 326.238 2.782 0 50 EFAA Cc1cnc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)nc1C 225603599 LCPIHUFNMVUGRY-HNNXBMFYSA-N 331.489 2.817 0 50 EFAA CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1N 9287603 KWTFBRXMYOIMFU-UHFFFAOYSA-N 340.383 2.726 0 50 EFAA O=C(O)CNc1cccc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1 102239018 RDXPKKCIBZVYIN-IIAWOOMASA-N 326.396 2.515 0 50 EFAA OCC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccsc1 23373848 KZSRMSRSQOXREH-LJQANCHMSA-N 330.497 2.859 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)C3(N)CC3)[nH]c2-c2ccccn2)cc1 67773390 KDPSIZLJDJZHML-UHFFFAOYSA-N 347.422 2.555 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@H](C)n3nc(C)cc3C)cc2c1 67851713 DXYNVSSFIQEGMO-ZDUSSCGKSA-N 326.400 2.867 0 50 EFAA CCCSc1ncc(CNCc2noc([C@@H]3CCCO3)n2)cn1 63834133 RNEXRXLXVSVMGH-LBPRGKRZSA-N 335.433 2.503 0 50 EFAA Cc1nc([C@@H](NC(=O)Nc2ccc3c(c2)CCO3)c2ccccc2)n[nH]1 171751840 XRJWICXZILNQKI-KRWDZBQOSA-N 349.394 2.959 0 50 EFAA C[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 253404085 DEKMJYFXEKZCGB-GUYCJALGSA-N 328.387 2.737 0 50 EFAA Cc1noc(C)c1C[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 252477062 HLLGLVKLEFXOET-CEFQPYBMSA-N 334.416 2.714 0 50 EFAA Cc1noc([C@@H](C)N(C)C[C@H](c2cccs2)N2CCOCC2)n1 252505360 LPANVOZVVNHTBV-TZMCWYRMSA-N 336.461 2.506 0 50 EFAA O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(C2CC2)on1 172145808 YOCIMFDUCRROJD-INIZCTEOSA-N 325.412 2.946 0 50 EFAA CCc1noc(C)c1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 122291592 NQPNBUVAMKXMMN-LJQANCHMSA-N 339.395 2.525 0 50 EFAA O=C(O)Cn1ccc(NC(=O)c2cc3c(s2)CCCCCC3)n1 122688173 XHJLBXOCKRNVGR-UHFFFAOYSA-N 333.413 2.941 0 50 EFAA C[C@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1F 122687377 HNIVLZGTNOQDRO-ZDUSSCGKSA-N 328.391 2.571 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 253395229 QECASJJDPQWXAX-SMDDNHRTSA-N 347.321 2.916 0 50 EFAA CCCc1ccc2oc(C(=O)NCC3(O)CCN(C)CC3)c(C)c2c1 77356944 FLBPXCHVFNIFRG-UHFFFAOYSA-N 344.455 2.880 0 50 EFAA O=C(O)c1ccn(-c2cccc(CNC(=O)[C@@H]3Cc4ccccc43)c2)n1 358687750 JQDJVCUVMAZCNV-QGZVFWFLSA-N 347.374 2.527 0 50 EFAA Nc1ncc(C(=O)N2CCC3(CCCO3)CC2)c(-c2ccccc2)n1 71748882 ZDKHYTCBKQPKBA-UHFFFAOYSA-N 338.411 2.511 0 50 EFAA Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@@]2(CCOC2)C1=O 126286954 CKPCFMZKTFZCQX-LJQANCHMSA-N 330.428 2.812 0 50 EFAA O=C(NOCC(F)(F)F)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 363111961 TUBZEUSBQUQEDU-LLVKDONJSA-N 345.321 2.541 0 50 EFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc5c(nc4O)CCCCC5)[C@@H]1[C@H]3C2 377159110 VOZNPXZEGHDXGD-IZOOLLGQSA-N 342.439 2.552 0 50 EFAA O=C(c1cc(-n2cccc2)ccn1)N1CC[C@@H](Oc2cccnc2)C1 367788184 WOHVRPRUMBNKQR-QGZVFWFLSA-N 334.379 2.561 0 50 EFAA O=c1c2ccncc2ncn1CC[C@@H]1CCCCN1C1CCCC1 32587188 QERBALHOTYXIPI-INIZCTEOSA-N 326.444 2.979 0 50 EFAA COc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 72166974 NAGYKFUVFIDKRG-NSISKUIASA-N 336.439 2.552 0 50 EFAA Cc1c(CN2CCc3nc[nH]c3[C@@H]2C(=O)O)[nH]c2ccc(F)cc12 72429213 JROALCITXKRUTO-MRXNPFEDSA-N 328.347 2.523 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)cc2)c1 282354423 FJUGIYHCLXUMEE-FUHWJXTLSA-N 329.371 2.711 0 50 EFAA COc1cccc([C@@H]2CCCCN2C(=O)c2cc(CO)ccn2)c1 215768291 ZADHNTIGSCVFNY-SFHVURJKSA-N 326.396 2.950 0 50 EFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2ncco2)cc1 156972131 RBFXOEJKOBHAIE-OAHLLOKOSA-N 327.384 2.927 0 50 EFAA CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)[C@H](C)C1=O 215595911 WJRWRGRDHGVTBO-CYBMUJFWSA-N 344.846 2.850 0 50 EFAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 493764482 XEQCLHOYCMZLAE-XBJHSPDSSA-N 326.444 2.823 0 50 EFAA Cn1cc(N2CC[C@H](Nc3cccc(Oc4ccccn4)c3)C2=O)cn1 174351503 APUMZECXRRVXIR-KRWDZBQOSA-N 349.394 2.825 0 50 EFAA O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2O1 174815509 MPMSCHYBNNOJAV-KRWDZBQOSA-N 349.346 2.748 0 50 EFAA C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 225502365 SWYVKXCUCIQOIN-ABAIWWIYSA-N 343.395 2.561 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1Cc1ccccc1 177449341 MWQIKRLTKRQZCH-CZUORRHYSA-N 325.412 2.945 0 50 EFAA Cc1c(Cl)c(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc2ccccc12 285814715 ORASHSRFMYWKLX-ZBFHGGJFSA-N 344.846 2.795 0 50 EFAA O=C(CSc1ccccn1)NCc1ccc2c(c1)OCCCO2 223082965 PNYUQLGXPHWOFU-UHFFFAOYSA-N 330.409 2.651 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)Nc1ccc2c(c1)COC2=O 426502861 HHRGGXIPMOOMQZ-AWEZNQCLSA-N 344.367 2.755 0 50 EFAA NC(=O)c1cccc(CCNC(=O)N[C@@H]2CCCc3ccccc32)c1 263813591 RLLZDBPEEAUMCP-GOSISDBHSA-N 337.423 2.705 0 50 EFAA Cc1ncc2c(c1-c1noc([C@@H]3Cc4ccccc4O3)n1)CCNC2 19788496 UBGXPPBHSRNQIB-INIZCTEOSA-N 334.379 2.762 0 50 EFAA Cc1ccc(S(=O)(=O)N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5CC=C[C@@H]45)[C@H]32)cc1 229992123 XAGFDLUKDSVZOM-KOWPAETKSA-N 329.425 2.946 0 50 EFAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cnn2ccccc12 82134830 YABFBEMFJAWJQL-HNNXBMFYSA-N 337.427 2.695 0 50 EFAA Cc1ccc(CN(C)CC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 222893504 SQQVNTCTWJENPX-IBGZPJMESA-N 340.471 2.562 0 50 EFAA Cc1nc(CC(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)cs1 91255204 QBKBZXYCKIKXOM-SJORKVTESA-N 333.501 2.621 0 50 EFAA CCc1c(C)nn(CCn2cc(-c3nc(C)n4ccccc34)nn2)c1C 91550795 IVUZZKMJIAFPSB-UHFFFAOYSA-N 349.442 2.977 0 50 EFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C)c(OC)c1 96130904 UDWZIKJUPJCRJV-CYBMUJFWSA-N 347.419 2.514 0 50 EFAA Cc1ccccc1[C@@H]1CN(C2CSCCSC2)C[C@H]1C(=O)O 91876415 WXOAZXWCUCJIFH-JKSUJKDBSA-N 337.510 2.944 0 50 EFAA CCCc1cc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)n[nH]1 91624571 LOTRJQTXGZZHEN-KRWDZBQOSA-N 340.471 2.972 0 50 EFAA CCCSc1ccc(NC(=O)N2CCC[C@](O)(CO)CC2)cc1 96152942 ZTWHSUMXLVRNOO-QGZVFWFLSA-N 338.473 2.930 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)C1 179007219 REHMBFRGLXYBFY-GJBLVYBDSA-N 338.883 2.582 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 91643720 GNJDPNMXYKDHRG-KRWDZBQOSA-N 336.501 2.538 0 50 EFAA CC(C)(C(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1)c1ccccc1 91526364 RNFITXORQKZSKQ-QZTJIDSGSA-N 344.499 2.517 0 50 EFAA Cc1ccc2nc(C(=O)N3CCC(CCn4cccn4)CC3)cn2c1 91586926 LWZGUSFWETUPFE-UHFFFAOYSA-N 337.427 2.782 0 50 EFAA Cn1ncc2c(N3CCC[C@@H]3CC(=O)c3cccs3)ncnc21 180340462 GBVQVJMCULFNHV-LLVKDONJSA-N 327.413 2.667 0 50 EFAA O=C(O)CCN1CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CC1 252488450 IRZOESZVDCCKGN-IBGZPJMESA-N 344.455 2.579 0 50 EFAA O=C(Nc1ccc2c(n1)CCC2)N1CC2(CCOCC2)[C@@H]1C1CC1 296784432 JTQUVCVWUKNLQQ-KRWDZBQOSA-N 327.428 2.993 0 50 EFAA C[C@H](NC(=O)Nc1ncn(C2CCCCC2)n1)C(C)(C)CN(C)C 184502744 FKSWLNRDIJNANI-ZDUSSCGKSA-N 336.484 2.881 0 50 EFAA COc1ccc([C@@H](C)CN2CCN(c3ccnc(C)n3)CC2)cc1 184768171 CEZZWNOQSCVLOB-HNNXBMFYSA-N 326.444 2.719 0 50 EFAA COc1ccccc1CNC(=O)CCN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 252491605 LOLGQDQNUQQFLL-LVYXFOGZSA-N 328.456 2.679 0 50 EFAA O=C1c2ccccc2CN1CC(=O)N1CCCC[C@@H]1c1cccnc1 263584785 ARBAHSARBFCMPU-GOSISDBHSA-N 335.407 2.791 0 50 EFAA biogenic COc1ccc(OCc2nc(CNC3CC3)n(C(C)(C)C)n2)cc1 824684127 ZAUVAXKVJQAMHP-UHFFFAOYSA-N 330.432 2.873 0 50 EFAA CC[C@@H](c1nc(Cc2cccc(Cl)c2)nn1CCO)n1cccn1 828777018 RLFKVZRFCANSOB-HNNXBMFYSA-N 345.834 2.711 0 50 EFAA CC(=O)c1cc(CC(=O)NCc2cn3ccc(C)cc3n2)cs1 670455115 KLTVOXSEHBOIQW-UHFFFAOYSA-N 327.409 2.766 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc21 131996069 QYUYTOVUCMIOMD-SECBINFHSA-N 336.141 2.871 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H](C(=O)O)c2cccc(C)c2)c1C 952972999 RADBRBNBUVOKDY-INIZCTEOSA-N 328.368 2.698 0 50 EFAA c1ccc(-n2nccc2CN2CCCN(Cc3cccnc3)CC2)cc1 952967881 MCMMZJKSRMECNL-UHFFFAOYSA-N 347.466 2.975 0 50 EFAA C[C@H](C1CC1)N(C(=O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)C1CC1 221814197 DQRYEPKRFOENEZ-XPKDYRNWSA-N 333.476 2.796 0 50 EFAA NC(=O)CCN(C(=O)c1ccsc1)[C@@H]1CCOc2ccccc21 411058277 LINWSLQYUUKFJJ-CQSZACIVSA-N 330.409 2.590 0 50 EFAA CN1CCN(C(=O)c2ccc([S@](C)=O)cc2)[C@H](c2ccccc2)C1 170609979 NDWVQNXMRFORBI-UUOWRZLLSA-N 342.464 2.553 0 50 EFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@H]3O)cccc2c1C 408220531 XIVLTYDCBHEJHU-KZNAEPCWSA-N 342.439 2.787 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)s1 408521525 XOIRFKHCOUDDLB-ZDUSSCGKSA-N 333.413 2.610 0 50 EFAA C[C@H]1COCCN1CCSc1nncn1-c1cccc(Cl)c1 188252487 HFEMKYNNNFDBFH-LBPRGKRZSA-N 338.864 2.734 0 50 EFAA COCCn1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)n1 189937402 GULMOQCEBHZPTA-CXAGYDPISA-N 331.391 2.892 0 50 EFAA COc1ccc(F)c(C(=O)N2CCN(C)c3ccccc32)c1OC 191119244 BUOQAIKXPYZZFH-UHFFFAOYSA-N 330.359 2.940 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(CCOc2ccccc2Cl)CC1 191999924 YCTNKRPVINJSEF-AWEZNQCLSA-N 340.851 2.590 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 194937285 ILKFNOCCFVRTLD-OAUYIBNBSA-N 330.407 2.822 0 50 EFAA O=C(O)[C@@H]1C[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 653327947 BNXPWFWOJMLESD-KZNAEPCWSA-N 337.375 2.730 0 50 EFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc[nH]c2)CC1 1506400332 CSJYKTLKNYGMCL-UHFFFAOYSA-N 326.444 2.579 0 50 EFAA COc1cc(C(=O)Nc2c3c(nn2C)CSC3)c2ccccc2n1 1529095753 WKIHKNOMVHXXGC-UHFFFAOYSA-N 340.408 2.976 0 50 EFAA CC(C)(C)CN1CCC[C@H](n2cc(C(=O)N3CCCCC3)nn2)C1 11976936 YZNZFBBGJVEHEJ-HNNXBMFYSA-N 333.480 2.587 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)c1cc(COc2ccccc2F)[nH]n1 12434416 PULHDYKKEJMOTH-AWEZNQCLSA-N 347.390 2.817 0 50 EFAA Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1O 15879992 CKLNNLQSVRYZTC-UHFFFAOYSA-N 346.456 2.729 0 50 EFAA Cc1ccc(-c2nc([C@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)o1 1857681640 HSTUNVOMOICAAJ-ZDUSSCGKSA-N 347.382 2.552 0 50 EFAA CC(C)[C@H]1CN2C[C@H](NC(=O)Nc3ccc(F)c(F)c3)C[C@H]2CO1 1857682175 RGQJXLFPKFAVSW-DVOMOZLQSA-N 339.386 2.584 0 50 EFAA CC(C)(O)CCn1ccnc1-c1cnc(=NCc2ccccc2)[nH]c1 1857700257 POGJSTXPGCUXAE-UHFFFAOYSA-N 337.427 2.535 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccon2)c2cc(Br)ccc2O1 225513938 MGPYCDQKQYCKNP-VIFPVBQESA-N 337.173 2.794 0 50 EFAA CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 420897496 MZZOBKPSFQWFKF-KOMQPUFPSA-N 347.459 2.518 0 50 EFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CCNCC1 237088361 ZGQBVQTYXBINPF-ZIAGYGMSSA-N 342.361 2.899 0 50 EFAA CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)cc2C)CC1 130480585 JNXLHMVISXIRSK-CQSZACIVSA-N 337.895 2.652 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2)n1 136506928 KFIKGTUNEHEAQP-QGZVFWFLSA-N 341.411 2.628 0 50 EFAA COc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 252481683 CQJHMIZXLVMVQO-LLLHUVSDSA-N 347.459 2.561 0 50 EFAA CC(C)c1cc(C(=O)N2CCN[C@@H](C)C2)c2cnn(C(C)C)c2n1 155068818 MBTJFXTUZHCAIE-ZDUSSCGKSA-N 329.448 2.570 0 50 EFAA Brc1ccc(-c2noc(CN3CCO[C@H]4C[C@@H]43)n2)s1 367847224 DXBPGFQYVBQPDZ-YUMQZZPRSA-N 342.218 2.534 0 50 EFAA CN(c1nc(Cn2c(-c3ccccc3)noc2=O)cs1)C1CC1 155943696 BQDISNKJGFFEIT-UHFFFAOYSA-N 328.397 2.607 0 50 EFAA O=C(O)[C@@H]1CC12CCN(C(=O)c1c[nH]nc1-c1ccc(F)cc1)CC2 262158159 PHFUHSVLCMAUAS-AWEZNQCLSA-N 343.358 2.543 0 50 EFAA CCc1ccc2occ(C(=O)N3CCOC[C@@H]3c3noc(C)n3)c2c1 376102282 KHWWHNZJUCCRGK-OAHLLOKOSA-N 341.367 2.900 0 50 EFAA COCC1(c2noc([C@@H]3NCCOc4ccccc43)n2)CCCC1 904731329 DYZRTDCPVAVYLK-OAHLLOKOSA-N 329.400 2.599 0 50 EFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)C2(C(=O)O)CCCC2)CC1 911351325 AWCYYBAWRNFUHS-HNNXBMFYSA-N 344.455 2.973 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCC(c2ccc(C)nc2)CC1 935334699 LCJFVVKDGWSJFZ-UHFFFAOYSA-N 327.384 2.519 0 50 EFAA C=CC(=O)N(C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 858221087 AXBFPDTXHKIZFW-UHFFFAOYSA-N 328.456 2.811 0 50 EFAA C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc(-c2ccccc2)cc1 864096840 JQNOAOSVIUVUJI-MJGOQNOKSA-N 326.396 2.703 0 50 EFAA COc1ccc(C2=NO[C@H](CN[C@H](C)c3cc(C)on3)C2)cc1F 952878010 XMGVPJGCPDHJGF-YPMHNXCESA-N 333.363 2.975 0 50 EFAA O=S(=O)(Nc1ccc(C2CC2)nn1)c1cccc(OC(F)F)c1 1875279839 HSKXYSKPSJIFCR-UHFFFAOYSA-N 341.339 2.756 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)Nc1cnc2c(c1)CCC2)C(F)(F)F 1875277582 RZBHHYRKGACLOS-GFCCVEGCSA-N 339.321 2.729 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 1875305565 FJWYJNTYMUIVHV-ZDUSSCGKSA-N 333.432 2.795 0 50 EFAA NC(=O)c1sc2nccnc2c1NC(=O)c1ccc(Cl)cc1 1875387872 BOCIUBCYRIEUQE-UHFFFAOYSA-N 332.772 2.696 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)n1)C(F)(F)c1ccccc1 1875316214 BDRLUJYKWVIYGL-UHFFFAOYSA-N 342.349 2.718 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(-c3ccccc3)on2)C1 888077790 VEAAXOOSIKNWCD-UKRRQHHQSA-N 338.367 2.667 0 50 EFAA NC(=O)[C@@H]1CCCN(c2ccc(C(=O)Nc3ccsc3)cc2)C1 1771609726 XVDKPANRLDOUBI-CYBMUJFWSA-N 329.425 2.702 0 50 EFAA Cc1cnc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)s1 1775986722 QUFLKRSGDQGPMU-AWEZNQCLSA-N 340.412 2.749 0 50 EFAA CC1(C)CCC[C@H](CNc2ccc3nnc(-c4ccncc4)n3n2)O1 897253752 GXDYPKOHNIDXKR-CQSZACIVSA-N 338.415 2.946 0 50 EFAA c1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2cccc3nonc23)nc1 1073261700 PHOXWYKLNNDCHY-QAPCUYQASA-N 349.438 2.714 0 50 EFAA Cn1nc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)cc1C1CC1 2325797571 GRSXCXBACDATEB-LJQANCHMSA-N 325.412 2.526 0 50 EFAA Cc1ccc(C[C@H](CC(=O)O)NC(=O)c2cc(C3CC3)[nH]n2)c(C)c1 2325799722 SYMMVVVUSKKVJN-OAHLLOKOSA-N 341.411 2.720 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)c1ncoc1[C@@H]1CCCCN1 2325800709 CNGPXNHATXHPPV-INIZCTEOSA-N 338.411 2.943 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C(=O)O)c1 851607191 VNVBNTGPSJLLNI-ROUUACIJSA-N 339.391 2.687 0 50 EFAA COc1cc(N2CCc3ccccc3CC2)nc(C2CCOCC2)n1 2325865277 VKUVQGLTGLEHJH-UHFFFAOYSA-N 339.439 2.984 0 50 EFAA Cc1ccc2oc(CNC(=O)c3cnc4ncnc(O)c4c3)cc2c1 2325878060 CZGGKTWNGNVHCM-UHFFFAOYSA-N 334.335 2.715 0 50 EFAA CN1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@]2(C)C1 907566058 WKTPUYYQLAATTQ-YGRLFVJLSA-N 349.283 2.566 0 50 EFAA O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 315144 GKLJDSPBTCNUHG-HNNXBMFYSA-N 326.371 2.538 0 50 EFAA CCC[C@@]1(C(=O)O)CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1O 2356147832 RJKGEYWMUXCLAZ-SUMWQHHRSA-N 347.440 2.647 0 50 EFAA O=C1N(CCOc2ccccc2)c2ccccc2C12OCCCO2 4511530 XRQKKWPXXXNENJ-UHFFFAOYSA-N 325.364 2.702 0 50 EFAA CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 4941401 ZZEYPQKCLLXMPE-UHFFFAOYSA-N 334.422 2.556 0 50 EFAA CCCn1c2ccccc2c2cnn(CC(=O)N(CC)CC)c(=O)c21 6900003 PYILZXKTZPJETQ-UHFFFAOYSA-N 340.427 2.630 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccccc1 7608590 FMVWDNDZKQEZQW-CQSZACIVSA-N 346.452 2.736 0 50 EFAA CCOCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 10325452 XTWSALUWGUBDCD-HOTGVXAUSA-N 335.400 2.931 0 50 EFAA O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 8752356 QHLGVTNBRTVHBV-LBPRGKRZSA-N 333.388 2.773 0 50 EFAA COc1ccc(CCC(=O)N(CC2CCOCC2)OC)cc1F 225775654 ZOTRLGPBZPWAAU-UHFFFAOYSA-N 325.380 2.584 0 50 EFAA Cc1cc(CC(=O)Nc2c(C)cnn2Cc2cccc(F)c2)on1 55255087 HDXMOYOWVUGPSC-UHFFFAOYSA-N 328.347 2.857 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 23399761 PALYJAJRXNLSOV-INIZCTEOSA-N 337.423 2.596 0 50 EFAA CC(C)Oc1cccc([C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)c1 117032525 LREZYYSOHHRBNE-MAUKXSAKSA-N 349.475 2.507 0 50 EFAA O=C(Cn1nc2c(cc1=O)CCCCC2)NCCC1=CCCCC1 61721988 YCSSAYSSBGMGGL-UHFFFAOYSA-N 329.444 2.519 0 50 EFAA Clc1ccc(-n2nc(C3CC3)nc2-c2nc3ncccn3n2)cc1 65463105 YWCDTVNDUWJQML-UHFFFAOYSA-N 337.774 2.903 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(F)c(OC)c1F 67446943 GKIZSWKVDWJXQR-CQSZACIVSA-N 336.338 2.828 0 50 EFAA Cc1nc(CCN)cc(N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)n1 67741576 CXHQSYSVILNAQB-MRXNPFEDSA-N 336.443 2.812 0 50 EFAA FC(F)(F)c1cccc(OCCCCNCCN2CCOCC2)c1 20500123 KJTVGEGYZVNZCB-UHFFFAOYSA-N 346.393 2.786 0 50 EFAA C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229372311 LDXMMBASMATEBL-RYUDHWBXSA-N 348.871 2.801 0 50 EFAA Cc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccc(O)cc3)C2)c1 67774073 FUHSAIXRRWRRND-IBGZPJMESA-N 338.451 2.881 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)c1ccnn1C1CCCC1 330167433 VTVYYALHOBWJGP-UHFFFAOYSA-N 328.416 2.949 0 50 EFAA COCC1(C(=O)N2CCN(c3cncc4ccccc34)CC2)CCC1 253421793 WNKPRBBWUGHIBU-UHFFFAOYSA-N 339.439 2.700 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1(CC)CC 253404767 FBMKCMFEWFOEMJ-CYZMBNFOSA-N 326.462 2.910 0 50 EFAA CC(C)c1ccc(NCc2cccnc2N2CCC[C@H](O)C2)nn1 67433977 BGBVXHFQIIPAPF-HNNXBMFYSA-N 327.432 2.568 0 50 EFAA C[C@H]1[C@H](OC(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]2C[C@H]1C2(C)C 252486353 JEVUPCXDYWWINE-PRULPYPASA-N 326.414 2.911 0 50 EFAA CCc1nnc(NC(=O)[C@@H](CC)Nc2ccc3c(c2)OCCO3)s1 38773130 AGJPDNJMSLLLAT-LLVKDONJSA-N 348.428 2.701 0 50 EFAA Fc1ccccc1-n1cc(CN2CCC[C@@H](c3ncn[nH]3)C2)cn1 216334351 CIIKNFOMHDESSS-CQSZACIVSA-N 326.379 2.509 0 50 EFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(=O)n(C)c1 72479386 OWQAXBFBJVBWFC-UHFFFAOYSA-N 345.449 2.843 0 50 EFAA CC(C)c1nc(N2CCN(CC3CCCCC3)[C@H](CCO)C2)no1 72430198 SPFXZYJYFBEXKT-MRXNPFEDSA-N 336.480 2.646 0 50 EFAA CC(=O)NCC1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72420140 ZQMKCZLGZYYCDW-UHFFFAOYSA-N 332.488 2.738 0 50 EFAA O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 31813482 UNJSPCHYXGSYGY-SNVBAGLBSA-N 346.387 2.546 0 50 EFAA CC(C)c1nnc2n1CCN(c1ncncc1Br)[C@@H]2C 241316844 LVKBHVJPZVBGDM-SECBINFHSA-N 337.225 2.535 0 50 EFAA CC[C@@H](C)n1nc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C 332424889 SYRSRRNBGNMNJX-CYBMUJFWSA-N 345.422 2.659 0 50 EFAA CCCC1(CNC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 242389669 ZZKRKBDRPXQVHM-IXDOHACOSA-N 337.508 2.755 0 50 EFAA COc1ccc([C@H](NC(=O)OCC(F)(F)F)c2nccn2C)cc1 365110374 LSHMCOZAVZYJJF-LBPRGKRZSA-N 343.305 2.807 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)N(C)C3CCS(=O)(=O)CC3)c2c1 77440212 WGXSEGJOQYHDEX-UHFFFAOYSA-N 346.452 2.501 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1C(=O)O 237540629 PBZPLYUUDXXZLP-MFKMUULPSA-N 329.318 2.960 0 50 EFAA O=C([C@H]1CCCO1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72470333 MJAYIBGOTKKIER-CQSZACIVSA-N 343.345 2.694 0 50 EFAA COc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)nn1 128936845 VCBQMWKOHWGGPH-QGZVFWFLSA-N 339.351 2.606 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 156398546 UHTOEBKYEGNJPO-KBPBESRZSA-N 329.444 2.694 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc(C2CC(N)C2)ncn1 218895615 RZZCHZQQMLTHDE-UHFFFAOYSA-N 334.427 2.708 0 50 EFAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 339203143 JTQJJDMHKDSJLD-BZUAXINKSA-N 336.476 2.584 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)CCO1 238122804 CBVHMLQGEHWLCC-BDVYOWHSSA-N 331.412 2.663 0 50 EFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ncccc2O)C1 77407149 JMVDNRIMFRZCPW-INIZCTEOSA-N 338.407 2.841 0 50 EFAA Cc1ncc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c(C2CC2)n1 495338662 WSEIMHVSTLMOBR-CYBMUJFWSA-N 332.404 2.610 0 50 EFAA C[C@@H]1CCCCN1CCNC(=O)c1cccc(CCC(C)(C)O)c1 72478551 QCVMSQQRVVKMEJ-MRXNPFEDSA-N 332.488 2.994 0 50 EFAA Cc1ccc(Cl)cc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 284834082 PBDSAKYYTKBQRR-KRWDZBQOSA-N 348.834 2.555 0 50 EFAA CCc1nc(C)c(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)o1 72463573 KOBJJSTVUMWAGL-CYBMUJFWSA-N 343.427 2.905 0 50 EFAA COc1ccc(C(=O)N[C@@H]2CCCc3sc(C)nc32)c(OC)n1 222717149 HJOLXGWZOORHOX-LLVKDONJSA-N 333.413 2.671 0 50 EFAA CNc1cc(C)nc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 82121449 YETRWVUARBTYFR-OAHLLOKOSA-N 326.448 2.817 0 50 EFAA CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 42629810 ICXFAUHCQBCFLP-UHFFFAOYSA-N 338.473 2.733 0 50 EFAA Cc1cc2nc(NC(=O)c3nn(C)cc3C(=O)O)sc2cc1C 20614841 DOJZIGWZPVAADS-UHFFFAOYSA-N 330.369 2.597 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(CN(C)C)ccn1 176907500 QWFRBOHDXFADIB-UHFFFAOYSA-N 340.383 2.881 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCn2cccn2)C1 95360702 VRIYCKZBWATACQ-INIZCTEOSA-N 329.448 2.676 0 50 EFAA Cc1ccc(C(=O)N(C)[C@@H]2CCNC2)cc1NC(=O)c1ccccc1 179100842 BNMDOZPRMXBBID-QGZVFWFLSA-N 337.423 2.681 0 50 EFAA COc1ccc(CC[C@H](C)N2CCN(c3ncccn3)CC2)cc1 23282791 BNZLMNRHOYEFEK-INIZCTEOSA-N 326.444 2.629 0 50 EFAA CC(C)c1nnc(N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)s1 91473947 CNMSNMYEEJZGNR-QGZVFWFLSA-N 334.489 2.890 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCCSC(F)(F)F)C2 95374817 BTIYKHIHGDCSLM-JTQLQIEISA-N 335.347 2.616 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244884225 YHWHQFJYXMVOKF-FTLABTOESA-N 341.436 2.795 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cn2ccsc2n1 244882556 XTZDKYASHYBRST-KKUMJFAQSA-N 341.436 2.508 0 50 EFAA CC(C)c1cc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc(O)n1 181248855 CEHAEZQUJNHHHO-QGZVFWFLSA-N 340.423 2.994 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1cnn(-c2ccc(F)cc2)c1 252485175 GOSTWSNNVKVFJN-GDZNZVCISA-N 331.391 2.740 0 50 EFAA Cc1cc(S(=O)(=O)NCCC[C@H]2CCOC2)c(Cl)cc1F 452010327 AVAINFDHBSPKIC-NSHDSACASA-N 335.828 2.883 0 50 EFAA O=C(NC[C@@H]1CCOC1)Nc1ccc(OCCc2ccccn2)cc1 299755690 CWFBPJSJPGSIQU-HNNXBMFYSA-N 341.411 2.861 0 50 EFAA C=CC(=O)N(CC)CC(=O)Nc1ccc(C(F)(F)F)c(OC)c1 1332098149 ZSMRLCBPQKJEFA-UHFFFAOYSA-N 330.306 2.687 0 50 EFAA CC[C@@H](CNC(=O)N1CCC2(CC1)COC(=O)O2)Cc1ccccc1 584898522 HNMXEKCLSMSFLZ-OAHLLOKOSA-N 346.427 2.966 0 50 EFAA Brc1c[nH]nc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 1363691969 IRPQQBJZTULABI-STQMWFEESA-N 333.233 2.635 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)N[C@@H]2COc3c2ccc(C)c3C)n[nH]1 268967850 LNLFJVVNEJIPMG-MEDUHNTESA-N 328.416 2.699 0 50 EFAA O=C(O)CCC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccsc1 170620232 MOOPDGRGLNXQGU-AWEZNQCLSA-N 344.392 2.996 0 50 EFAA CN(Cc1cccnc1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189753982 IXDGTBIZCPLPHA-GOSISDBHSA-N 345.393 2.983 0 50 EFAA NC(=O)[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 192130421 PBHFSUVJTPWVJB-BRWVUGGUSA-N 332.350 2.611 0 50 EFAA CC(C)Cc1ccc([C@H](C)NC(=O)C2(C(=O)O)CCOCC2)cc1 649240362 METVFISVOXUKFS-AWEZNQCLSA-N 333.428 2.944 0 50 EFAA CC(C)(C)c1nc(C(=O)Nc2nc(CC(=O)O)cs2)cs1 675945306 HVSPEEIPPSKFCO-UHFFFAOYSA-N 325.415 2.777 0 50 EFAA Cc1ccc([C@@H]2COCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 682830550 SMHSAHMGUZQZCI-INIZCTEOSA-N 325.368 2.607 0 50 EFAA CCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C)nc3O)no2)C1 771135927 SSORLLSNLGZGOC-GFCCVEGCSA-N 330.388 2.652 0 50 EFAA CCOC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 29570 GADWXIXAQMKRMI-UHFFFAOYSA-N 340.217 2.864 0 50 EFAA Cc1nnc(CN2CCC[C@H]2c2nc(-c3ccncc3)no2)s1 1529090829 JMQQFJXJBUYKCU-LBPRGKRZSA-N 328.401 2.629 0 50 EFAA Cc1ccc(C(=O)N2CCCN(Cc3ccc(Cl)o3)CC2)cn1 1529138510 DSAJWFKKZUMAKN-UHFFFAOYSA-N 333.819 2.985 0 50 EFAA CCOCCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210350773 MDBNVMWJOIYKDT-MOPGFXCFSA-N 327.424 2.943 0 50 EFAA COc1cc(-c2onc(N[C@H]3CCCN(C)C3)c2C(=O)O)ccc1F 1704311323 FKMNZXPXVRREPS-NSHDSACASA-N 349.362 2.694 0 50 EFAA CC(C)N1C[C@H](CN2CCC(CCn3cccn3)CC2)CCC1=O 1775980068 SELMBCDVCAQNSQ-SFHVURJKSA-N 332.492 2.632 0 50 EFAA Nc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc(Cl)c1 11692967 YDFQOQISWNMZFB-UHFFFAOYSA-N 331.738 2.894 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C3CCCCC3)CC2)C1 11951776 OQZOEXRWOKWOSR-INIZCTEOSA-N 333.520 2.774 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)c1 13323792 PDQYPIKBEBBHDT-JWAGFEDZSA-N 333.384 2.779 0 50 EFAA CCc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 13688721 FWEIHCQBUIRECI-HOTGVXAUSA-N 326.396 2.529 0 50 EFAA CCc1n(C)c2ccccc2[n+]1C[C@H](O)COCc1ccccc1 15746007 UKWATYGJMGOLCK-KRWDZBQOSA-N 325.432 2.606 0 50 EFAA Cc1ccn2cc(C(=O)N(C)Cc3cccc(CN(C)C)c3)nc2c1 19113303 SVQRZGSJVHFKBA-UHFFFAOYSA-N 336.439 2.977 0 50 EFAA Cc1nc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)c(C)o1 408519968 BBDLMKMLRAUTEY-UHFFFAOYSA-N 328.368 2.687 0 50 EFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC(C)(C)c2ccccc21 126034470 JXDVISSTOSNTMN-HNNXBMFYSA-N 333.457 2.738 0 50 EFAA N[C@@H]1CCCO[C@@H]1C1CCN(c2cncc(-c3cccs3)n2)CC1 333470525 ASEHOGWEJNXWPA-RDTXWAMCSA-N 344.484 2.928 0 50 EFAA C[C@@H](NC(=O)N1CCOC2(CCOCC2)C1)c1cccc(F)c1F 133738820 MLLUUYBQIDBPSL-GFCCVEGCSA-N 340.370 2.617 0 50 EFAA O[C@]1(Cn2ccnn2)CCN(Cc2ccc(-c3ccccc3)cc2)C1 671491512 WMUSVCGLLQJTGJ-HXUWFJFHSA-N 334.423 2.582 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC 252490338 KPYJNTFBBJAAGH-ARFHVFGLSA-N 331.522 2.727 0 50 EFAA CC(C)n1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)n1 356656906 SYBLVMLICJBJRF-VIFPVBQESA-N 338.209 2.508 0 50 EFAA Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C 830371888 LOXJGXOYNXHHMN-XGWLTEMNSA-N 331.391 2.823 0 50 EFAA CN1CCC[C@H]1c1cc(C(=O)N(Cc2cccc(O)c2)C2CC2)n[nH]1 1875270375 YLKIJDZWDDCMFJ-SFHVURJKSA-N 340.427 2.687 0 50 EFAA Cc1cc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)cc(C)n1 1875284010 JACYDLBWJNHFQX-UHFFFAOYSA-N 339.439 2.907 0 50 EFAA CCC(F)(F)C(C)(C)NC(=O)c1cn(-c2ccc(OC)cc2)nn1 1875276206 GNVLYVVSGFHORH-UHFFFAOYSA-N 338.358 2.830 0 50 EFAA Cc1nc(C(C)C)[nH]c(=N[C@H]2CCn3ccnc32)c1Br 1875287112 VOYZPQZEUDITJB-JTQLQIEISA-N 336.237 2.846 0 50 EFAA C[C@H](NC(=O)c1cc(O)nn1C)c1ccc(Oc2cccnc2)cc1 1875318267 MFPDWKAPLVUVBK-LBPRGKRZSA-N 338.367 2.804 0 50 EFAA COC(=O)/C=C/CNC(=O)[C@H](Oc1ccccc1)c1ccccc1 1875333521 ZPBQNJNDQYBNPX-INMULRNOSA-N 325.364 2.652 0 50 EFAA C[C@@H]1CN(c2ccccc2CNC[C@H]2CCCc3nccn32)CCO1 2325779519 LEBBDQVAFCIAAW-SJLPKXTDSA-N 340.471 2.775 0 50 EFAA COc1nccc(=Nc2cnn(Cc3cc(F)ccc3Cl)c2)[nH]1 2325841199 IBCWOTUFAMVIGM-UHFFFAOYSA-N 333.754 2.688 0 50 EFAA CC(C)C1(C(=O)NC[C@H]2CCCN2C(=O)[C@@H](C)n2cccc2)CCC1 2325843028 QYGAZVSQZAFTHG-IAGOWNOFSA-N 345.487 2.983 0 50 EFAA C[C@H]1CC[C@@H](NC(=O)c2ccc3c(n2)CCNC3)Cc2ccccc21 2325868637 DSRISZXXJFEPRA-WMLDXEAASA-N 335.451 2.966 0 50 EFAA CN(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 42620 RYGHJNPJMINUCI-UHFFFAOYSA-N 327.403 2.854 0 50 EFAA CC1=CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccc(C)cc21 107639 GLUVCYQKFLPRBJ-UHFFFAOYSA-N 326.396 2.673 0 50 EFAA COc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 352109 RIFQOTPGDNQCTB-IUODEOHRSA-N 342.317 2.948 0 50 EFAA O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 380753 AYHUHAMCGVGNLR-UHFFFAOYSA-N 327.403 2.977 0 50 EFAA O=C(O)c1nc(N2CCC[C@]3(CCc4c[nH]nc43)C2)ccc1Cl 2356139337 PMZQGHIYYNELFQ-INIZCTEOSA-N 332.791 2.641 0 50 EFAA COC1(CN(C)C)CCN(C(=O)c2c(F)ccc(C)c2Cl)CC1 2356163404 BKJSABXZXSXTOA-UHFFFAOYSA-N 342.842 2.970 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC 4492014 KCMLGQXGCSFIHE-INIZCTEOSA-N 348.399 2.675 0 50 EFAA Cc1cccc(-c2noc(CN(C(=O)N3CCOCC3)C(C)C)n2)c1 4512685 RAUKKWSXVJICPW-UHFFFAOYSA-N 344.415 2.708 0 50 EFAA CCCCOc1ccc(C(=O)Oc2cc(C(=O)OC)nn2C)cc1 4856902 NKVZZNZEORIGJD-UHFFFAOYSA-N 332.356 2.605 0 50 EFAA O=C(NCCCN1CCCCC1)c1ccc(CN2CCCC2)cc1 10279589 DXMWKIWEEQHIDD-UHFFFAOYSA-N 329.488 2.888 0 50 EFAA COc1cccc(OC)c1OCCCSc1nc(C)cc(=O)[nH]1 8667253 JYMXYNCNTYQZBI-UHFFFAOYSA-N 336.413 2.657 0 50 EFAA aggregator Cc1[nH]ncc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225407490 KLIYHFXGROXSRA-YGRLFVJLSA-N 339.317 2.685 0 50 EFAA Cc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1NC(=O)C1CC1 55226011 YEWPLFLLSPROII-UHFFFAOYSA-N 340.427 2.656 0 50 EFAA CCn1nc(NC(=O)CCC(=O)O)c2cc3ccc(C)cc3nc21 9358654 ULYSUTZIIATRDT-UHFFFAOYSA-N 326.356 2.716 0 50 EFAA CCn1cccc(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c1=O 417261264 PAMYVTOEVRHDBL-ABAIWWIYSA-N 347.440 2.754 0 50 EFAA c1ccc(Cc2nnc(N3CCC[C@@H]([C@H]4CCNC4)C3)s2)cc1 420264030 CMJGDJNEFKXBNN-JKSUJKDBSA-N 328.485 2.955 0 50 EFAA CNc1ccccc1C(=O)NC[C@H]1CCN(Cc2cccc(O)c2)C1 67561582 FOLBDIARMWVFSE-MRXNPFEDSA-N 339.439 2.686 0 50 EFAA Cc1cc(C)c(OCCCNCCN(C)C)c(Br)c1 20418846 QLMHLGIEZFDJDS-UHFFFAOYSA-N 329.282 2.986 0 50 EFAA CCOc1ncccc1CNC(=O)N1CCOC[C@H]1c1ccc(C)o1 116939487 UEWNIHWFGTWADN-HNNXBMFYSA-N 345.399 2.665 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1 65385640 HIDUWDXFMXDXQO-SFHVURJKSA-N 348.406 2.998 0 50 EFAA Cc1nc[nH]c1[C@@H]1c2nc[nH]c2CCN1Cc1ccnc(C(C)C)n1 67803549 MMEKBSUBBGVEPI-QGZVFWFLSA-N 337.431 2.502 0 50 EFAA O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)C1CCCCC1 26380222 VEXPGLFCDLVJOU-IBGZPJMESA-N 330.472 2.799 0 50 EFAA CC(C)c1nccc([C@H]2CC(=O)Nc3cc4c(cc32)oc(=O)n4C)n1 65397765 WYHDKVAHEBULJD-NSHDSACASA-N 338.367 2.519 0 50 EFAA NC(=O)COc1ccc(-c2nccn2Cc2ccccn2)cc1Cl 67649399 ISURTKADUHWAAZ-UHFFFAOYSA-N 342.786 2.511 0 50 EFAA CCOCC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 253432835 OPNSHXAXWASUSZ-QGZVFWFLSA-N 342.443 2.614 0 50 EFAA COc1cc(C)c(-c2nc(CN3CCNC(=O)[C@H]3C)c(C)o2)cc1C 67804770 WQJWOMNYBPZCDP-CYBMUJFWSA-N 343.427 2.596 0 50 EFAA CN(C(=O)c1cc(C2CC2)on1)[C@@H]1CCN(Cc2ccccc2)C1 252572590 ZLOVUCYECKESHS-MRXNPFEDSA-N 325.412 2.899 0 50 EFAA CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 469716 RQHIUQKMAKDNOW-UHFFFAOYSA-N 344.415 2.689 0 50 EFAA Cc1ccc(F)c(OCC(=O)Nc2ccc3c(c2F)CCNC3)c1 423657865 WVDHJRKNECPWCZ-UHFFFAOYSA-N 332.350 2.936 0 50 EFAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1 2804118 HOHZOXGQSWSXHL-SECBINFHSA-N 329.372 2.935 0 50 EFAA CCn1cc(C2=NO[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)c(C)n1 4119272 ZSPSZLNZRNRKAI-KRWDZBQOSA-N 340.383 2.546 0 50 EFAA c1ccc(-n2nnc3c2CCN(CCc2ccc4c(c2)CCO4)C3)cc1 433201900 OLLKSWQPCSWOKP-UHFFFAOYSA-N 346.434 2.803 0 50 EFAA CC1(C)[C@H](NC[C@H](c2ccccc2)N2CCOCC2)[C@@H]2CCCO[C@H]21 230188900 ZJAJRAKSKVIKRN-MTQWCTHYSA-N 344.499 2.853 0 50 EFAA COc1ccc2c(CN3CCS[C@H]4COCC[C@H]43)cc(=O)oc2c1 230127355 WEHWJYHIVNLUIK-WBVHZDCISA-N 347.436 2.508 0 50 EFAA CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 253388794 KAWOHEHPAJHLPW-JSRQGNBESA-N 334.460 2.796 0 50 EFAA COc1ccc(CNc2cnc3cc(F)c(F)cc3n2)c(OC)n1 357775223 OPBUMUAFZNMDSV-UHFFFAOYSA-N 332.310 2.932 0 50 EFAA CN1CC[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1cccnc1 328624445 JWXHFXCJCFIQOG-HKUYNNGSSA-N 334.423 2.986 0 50 EFAA Nc1ccc(N[C@@H]2CCCN(C(=O)COC3CCCCC3)CC2)cn1 328633793 MHMOOYPWZMZTIG-OAHLLOKOSA-N 346.475 2.806 0 50 EFAA O=C([C@H]1CCN(C2CCCCC2)C1)N1CCC(n2cccn2)CC1 363347633 KHWZCAUIKNQMQD-INIZCTEOSA-N 330.476 2.701 0 50 EFAA O=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](Nc2cccc(F)c2)C1 12307139 CRYJOEWWFVUEPT-HNNXBMFYSA-N 339.374 2.814 0 50 EFAA C[C@H](NC(=O)Cc1cccc(C(=O)O)c1)[C@@H]1COc2ccccc21 364936782 RTKCCBCUTAQRDO-LRDDRELGSA-N 325.364 2.608 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)C[C@](C)(O)c2ccccc2)CC1 375962007 DYNCVNLHNLFQQR-IBGZPJMESA-N 327.428 2.722 0 50 EFAA OC[C@@]1(NCc2cccc3c2OCCCO3)CCOc2ccccc21 282426668 RCGRFKUDXDEGCD-FQEVSTJZSA-N 341.407 2.608 0 50 EFAA C[C@@H]1[C@@H](NC(=O)Cn2cc(Br)ccc2=O)CCC[C@H]1C 239328962 JXFJKPHOWQWLAV-MDZLAQPJSA-N 341.249 2.552 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)Cc1ccc2c(c1)CCO2 262511987 KINSVWZYXKSDKG-UHFFFAOYSA-N 341.363 2.575 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCCc1cc3ccccc3o1)CC2 241316997 LWSVWDKQNHNYNF-HOTGVXAUSA-N 327.428 2.853 0 50 EFAA Cn1cc(NC(=O)Nc2cccc(CCC(=O)O)c2)c(C2CC2)n1 263061378 OOPYYKAOKCBDFZ-UHFFFAOYSA-N 328.372 2.959 0 50 EFAA Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 72156570 GMOJBWLRNUWHOS-QGZVFWFLSA-N 340.398 2.973 0 50 EFAA COc1cccc([C@H]2C[C@H](N(C)S(=O)(=O)CCOC(C)C)C2)c1 452063557 WYYDNBVAAHQFSZ-WKILWMFISA-N 341.473 2.628 0 50 EFAA CN1CCC(N(Cc2ccccc2)C(=O)NCc2cscn2)CC1 176046080 SMWIXAQJRDHZGJ-UHFFFAOYSA-N 344.484 2.949 0 50 EFAA O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CCCOC1 263431853 NRKRFNROGIJYEP-ZDUSSCGKSA-N 325.364 2.961 0 50 EFAA COc1ncc(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C 290446275 XDNXOFMYQGEBTG-UHFFFAOYSA-N 328.294 2.561 0 50 EFAA Cc1cc(N2CCC(NC(=O)N3CCC[C@@H](C)CC3)CC2)nc(C)n1 176894296 MIVSXDKBGJTBLT-CQSZACIVSA-N 345.491 2.894 0 50 EFAA Cc1cc(N2CCN(C(=O)C[C@H](C)n3ccnc3C)CC2)cc(C)n1 82161280 DGIOMEZVSNFYMF-INIZCTEOSA-N 341.459 2.503 0 50 EFAA CCc1nccn1CCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 222311572 BDTOREJAFTZYGR-KRWDZBQOSA-N 337.427 2.590 0 50 EFAA CCCCc1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)c(Cl)[nH]1 191062164 NCSXEBDGFVSXHP-HNNXBMFYSA-N 346.862 2.818 0 50 EFAA O=C(NC[C@@H]1CC12CCCCC2)N1CCN(c2ccncc2)CC1 426388012 STVFAHVYSSSAHW-INIZCTEOSA-N 328.460 2.884 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1 426651270 IFCACKAVFAVQKR-INIZCTEOSA-N 348.406 2.567 0 50 EFAA Cn1ccnc1[C@H](C1CC1)n1cc(-c2cccc(-n3cccn3)c2)nn1 91547426 HOSOTQMDMRYYLW-SFHVURJKSA-N 345.410 2.864 0 50 EFAA O=C(NCCCNc1cccnc1)[C@@H]1CCOc2ccccc2C1 95526852 XGHPOXOSYBGYCN-MRXNPFEDSA-N 325.412 2.641 0 50 EFAA Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H]2CCNC2)cc1C 179120447 WJRBRRXQHUVNLW-KRWDZBQOSA-N 336.435 2.968 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1ncccc1C(=O)N(C)C)C2 95382831 PXSTZWHKEDXJKF-CYBMUJFWSA-N 326.396 2.586 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)N1CCN2CCC[C@H]2C1 179213533 HWDJUEMOPOUQIO-LBPRGKRZSA-N 337.445 2.545 0 50 EFAA O=C(C[C@@H]1CNCCO1)NCCC(c1ccccc1)c1ccccc1 97009889 HSIHWNYIZBFJJG-LJQANCHMSA-N 338.451 2.703 0 50 EFAA Cc1cccc(=O)n1CCC(=O)NCc1ccc(C(F)(F)F)cc1 97655301 LDVVIGRLXIYCQS-UHFFFAOYSA-N 338.329 2.882 0 50 EFAA COCCC(=O)N[C@H]1CN(C2CCCC2)C[C@@H]1c1ccc(OC)cc1 91435112 OAPLNVIVLPMURV-MOPGFXCFSA-N 346.471 2.558 0 50 EFAA COc1ccc(C2(C(=O)N3C[C@@H](C(=O)O)[C@H](C(C)C)C3)CC2)cc1 91518766 LEPZOKWMMGCSAY-JKSUJKDBSA-N 331.412 2.542 0 50 EFAA CCCn1ncc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)c1C 91988509 FWSMHYROENIJSU-LBPRGKRZSA-N 330.436 2.799 0 50 EFAA Cc1cc(-c2nc(Cc3cccc(Cl)c3)nn2CCO)nc(C)n1 96165684 RBHCIURSODAPRX-UHFFFAOYSA-N 343.818 2.588 0 50 EFAA COc1ccc2c(C)c(C(=O)NC[C@@H](O)c3ccccn3)oc2c1 91644916 IKLZDFIOMKCUGO-OAHLLOKOSA-N 326.352 2.608 0 50 EFAA CCc1cccc(C)c1N1C[C@@H](c2nc(-c3cccnn3)no2)CC1=O 95529550 ALEBEKLXGVCNBV-AWEZNQCLSA-N 349.394 2.918 0 50 EFAA CO[C@@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2 95391838 LTBVUOPCSABDSY-GFCCVEGCSA-N 331.338 2.660 0 50 EFAA Cc1nc(N(C)Cc2nc3c(s2)CCCC3)c2cnn(C)c2n1 95364065 PYLFXYZLIFEVME-UHFFFAOYSA-N 328.445 2.643 0 50 EFAA N[C@H]1C[C@H](c2cc(NCc3cnn(Cc4ccccc4)c3)ncn2)C1 244595077 DOFSAKYGAJYURZ-QAQDUYKDSA-N 334.427 2.538 0 50 EFAA CN(Cc1noc(-c2ccco2)n1)C[C@@H]1COc2ccccc2O1 244734775 NLQYVRHPHPXGJH-GFCCVEGCSA-N 327.340 2.601 0 50 EFAA Cc1cccnc1C[C@H](C)N(C)CC(=O)Nc1cccc(C(=O)O)c1 252491957 MAGJZBXYVTYJOE-AWEZNQCLSA-N 341.411 2.590 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1c[nH]c2ccccc12 254410750 KHLAISZHHLNBQU-PXQICXGYSA-N 331.375 2.555 0 50 EFAA Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N2CCC[C@H]2CO)c1 534654261 OFWGWEWEPSHXLS-INIZCTEOSA-N 325.412 2.859 0 50 EFAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)c1cn(C)cn1 1940195590 ZUHHGXYDLYZUFW-UHFFFAOYSA-N 329.791 2.879 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N2CCCC[C@@H]2c2nc(C)no2)c1=O 299791742 GLQIVHAHZGVGOR-CQSZACIVSA-N 344.415 2.544 0 50 EFAA CN(C)C[C@@H]1COCCN(Cc2nc(-c3ccccc3)cs2)C1 823690018 JWPLZDUGHXIXGN-HNNXBMFYSA-N 331.485 2.820 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(CN2CCCC2)o1 670440504 HNPXZZMEGUKKIC-UHFFFAOYSA-N 342.443 2.797 0 50 EFAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc(=O)n(C)c1 1440147343 NJZBXTOXWUBQIA-GFCCVEGCSA-N 345.468 2.629 0 50 EFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)c2snnc2C)c1 952988445 PTJYVYYWPJVSLP-UHFFFAOYSA-N 334.401 2.702 0 50 EFAA CNc1cc(N2CCO[C@H](c3cccc(Br)c3)C2)ncn1 892165968 BEUQEQBVDFYOSY-ZDUSSCGKSA-N 349.232 2.859 0 50 EFAA Cc1csc(CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)n1 268672812 MGYDVZZCWQZLAT-CQSZACIVSA-N 343.374 2.961 0 50 EFAA C[C@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)C(F)(F)F 408523796 NHXTXHMWUVSFDP-ZDUSSCGKSA-N 338.757 2.892 0 50 EFAA C[C@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)[S@](C)=O 170593655 HOTZCQMOYIVVQZ-ZLOXQWCVSA-N 336.501 2.819 0 50 EFAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1c1ccsc1 170598148 CCBBNQSLCPADSC-HNNXBMFYSA-N 344.436 2.850 0 50 EFAA CCOC(=O)[C@@]1(C)CCCN1C(=O)c1csc(-c2ccccn2)n1 170678647 CUSSYLFDMUFLJL-QGZVFWFLSA-N 345.424 2.763 0 50 EFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCCC[C@@H]1C1OCCO1 170625338 SRLBIQSSHYWHAW-JKSUJKDBSA-N 346.427 2.674 0 50 EFAA O=C(CN1CCC(c2ccncc2)CC1)NCc1ccccc1F 170613604 TWMLPSWAYVYGSN-UHFFFAOYSA-N 327.403 2.717 0 50 EFAA C[C@@H](CNC(=O)c1cccc(Br)c1Cl)[S@@](C)=O 166863534 DYKHLFPSDMMCHZ-SKLCBMLGSA-N 338.654 2.599 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)N[C@@H]1CCCOCC1 273671159 HRJHCNJUHSKFLN-LRYGQEGESA-N 332.444 2.685 0 50 EFAA Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3nnc[nH]3)cn2)cc1 186224550 VRCDVIMSLCQQDM-UHFFFAOYSA-N 338.371 2.964 0 50 EFAA Cc1csc([C@H]2COCCN2Cc2ccc(-n3ccnc3)nc2)n1 189311486 IXUBESRXUDQXJK-OAHLLOKOSA-N 341.440 2.606 0 50 EFAA CCOc1ccc(-c2cn([C@H]3CCN(C(C)(C)C)C3=O)nn2)cc1 641108330 MVGQAUCOHBMGCT-INIZCTEOSA-N 328.416 2.916 0 50 EFAA NC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C1CCCC1 192028502 IBNTVAQNHYIBOG-LBPRGKRZSA-N 336.379 2.501 0 50 EFAA CCOC(=O)C1CCN(C(=O)CNc2c(F)cccc2Cl)CC1 193107442 ADRXZBITYJISAP-UHFFFAOYSA-N 342.798 2.693 0 50 EFAA Cc1ccc(NC(=O)C[C@@H]2CNCCO2)c(SC(F)(F)F)c1 195543367 YAMQGMSEWSYAHP-SNVBAGLBSA-N 334.363 2.924 0 50 EFAA O=C(O)CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1 663122622 LOCCFUQBAHYDIZ-UHFFFAOYSA-N 346.408 2.564 0 50 EFAA Nc1cccc(Cl)c1C(=O)OCc1nc(N)c2ccccc2n1 732405948 HDOUZZGBBGZGSJ-UHFFFAOYSA-N 328.759 2.805 0 50 EFAA O=S(=O)(NCc1nc2c([nH]1)CCCC2)c1ccc2ccccc2c1 1666429258 DLXWTYFOHIICKB-UHFFFAOYSA-N 341.436 2.920 0 50 EFAA Cc1cc(F)ccc1N1CCC(N2CCOC[C@@H](CN(C)C)C2)CC1 1506424320 KNQJXLYTIUHEJH-KRWDZBQOSA-N 349.494 2.613 0 50 EFAA COc1ccc(OCCCN2CCC(Oc3ncccn3)CC2)cc1 1506430439 ZOIZUOICBNGNMK-UHFFFAOYSA-N 343.427 2.798 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCCc2csc(-c3ncccn3)n2)n1 1506425830 DPOXUUZUQFHOGR-CYBMUJFWSA-N 342.472 2.634 0 50 EFAA Cc1cccc(NC(=O)CC(=O)NCCCc2c(C)n[nH]c2C)c1C 1506410778 XIKNZHBGEPPEKU-UHFFFAOYSA-N 342.443 2.721 0 50 EFAA CCc1noc(C)c1C(=O)N1C[C@H](c2ccccc2C)[C@@H](C(=O)O)C1 213350397 WPHVSRGQGRLPLX-CABCVRRESA-N 342.395 2.794 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2ccc(Cl)cc2)CC[C@H]1O 1704336256 IERCMXCLBCAVGZ-WBVHZDCISA-N 341.835 2.657 0 50 EFAA COc1cc(-c2onc(N[C@H]3CCN[C@H](C)C3)c2C(=O)O)ccc1F 1704315492 HASIVVINASIWIX-KOLCDFICSA-N 349.362 2.740 0 50 EFAA O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1 140063098 SHMFBKYBBMGQSQ-MOPGFXCFSA-N 340.423 2.572 0 50 EFAA in-vitro Cc1ccc(F)c(NC(=O)CSc2nnnn2-c2ccccc2)c1 5013838 LPXJTBVGYPIWFG-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA O=C(NCCn1ccc2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O 12436314 OGUVYVJLENZJKN-SFHVURJKSA-N 347.418 2.811 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)CCCCc3ccccc3)C2)C1=O 12573506 TWNOWODTGMKACN-HXUWFJFHSA-N 328.456 2.870 0 50 EFAA O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 13944148 FFCSLPWSINAZII-ZDUSSCGKSA-N 330.384 2.505 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCCc1csc(=N)[nH]1 1875251125 NGSZDRGHGTWURU-UHFFFAOYSA-N 341.440 2.617 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2cc3nccnc3cc2F)n[nH]1 408469822 TYXZNJMTUCITHX-OAHLLOKOSA-N 340.362 2.563 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225537120 ILCFCARPKXRUHJ-AEFFLSMTSA-N 329.371 2.929 0 50 EFAA CNC(=O)c1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 368203862 VWRGEPJKSDACRD-GOSISDBHSA-N 328.387 2.839 0 50 EFAA Cc1c(C(=O)N2CCC(c3nn[nH]n3)CC2)oc2c(C)cccc12 913743451 WLDMFSZOTJDTIS-UHFFFAOYSA-N 325.372 2.583 0 50 EFAA COc1ccc(S(=O)(=O)Nc2noc3c2CCCC3)c(C)c1F 903672839 WKJVWZBTJAGDTO-UHFFFAOYSA-N 340.376 2.810 0 50 EFAA C[C@@H]1CN(CCNC(=O)Nc2cccnc2-c2ccccc2)CCO1 930550041 HCKZQXLFHAHAHO-OAHLLOKOSA-N 340.427 2.591 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCC(C[C@H]2OCC[C@H]2C(N)=O)CC1 952886269 KXXAAOVGYKUGCR-HZPDHXFCSA-N 348.443 2.536 0 50 EFAA C[C@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(OCC(=O)O)c1 952852408 LUIHGXJMACDFIU-FZKQIMNGSA-N 339.391 2.950 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875304046 XVGZDEUKWHXVBG-SECBINFHSA-N 345.321 2.564 0 50 EFAA O=C(NCC1=NO[C@@H]2CCC[C@H]12)N(CC1CCOCC1)C1CCC1 1875315972 PDNPADPJDWOOGW-NVXWUHKLSA-N 335.448 2.532 0 50 EFAA O=C(N=[S@@]1(=O)CCC[C@]2(CCCN2)C1)c1cncc2ccccc12 1875393124 GXYXRQZQQPOQQJ-HOYKHHGWSA-N 343.452 2.759 0 50 EFAA O=C([C@H]1COc2ccc(O)cc2O1)N1Cc2ccccc2C2CC1C2 1875302491 SIAGTTZSXFXAQH-SVGDTCPJSA-N 337.375 2.820 0 50 EFAA Cc1nnc(N2CCC[C@@H]2c2cncc(Br)c2)nc1C 895709476 PMOYPSFLNJBYLW-CYBMUJFWSA-N 334.221 2.987 0 50 EFAA Ic1ccc(N2CCc3ncsc3C2)nc1 450474915 UBEQYKPOMAFBPE-UHFFFAOYSA-N 343.193 2.705 0 50 EFAA CCOC(=O)N1CCN(C(=S)Nc2ccc(OCC)cc2)CC1 109756 MYKDEZLVYJGKBL-UHFFFAOYSA-N 337.445 2.556 0 50 EFAA Cn1cnc2cnc(N3CCC[C@H](c4nc5ccccc5o4)C3)nc21 2100483296 KDORWNLWZVHOAI-LBPRGKRZSA-N 334.383 2.889 0 50 EFAA CC1CCC(OCC(=O)O[C@H](C)c2cccc(-n3cnnn3)c2)CC1 2325742823 HYXZJAWXRHINQX-XOYHFGRZSA-N 344.415 2.862 0 50 EFAA CCc1nn(C)c(CC)c1C(=O)N1CCC(n2cc(C)cn2)CC1 2325766220 CHGBLGGBLQXXJD-UHFFFAOYSA-N 329.448 2.527 0 50 EFAA Cc1cc(C2CCC2)ncc1C(=O)N=c1ccn(Cc2ccncc2)[nH]1 2325767649 LLNUSSCAYRSVMF-UHFFFAOYSA-N 347.422 2.972 0 50 EFAA C[C@]1(C(F)(F)F)CCN(S(=O)(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCO1 2325782873 LIHULRFNDHLBEY-MROQNXINSA-N 341.395 2.548 0 50 EFAA Fc1ccc(C[C@H]2CN(c3ccnc(-c4ccccn4)n3)CCN2)cc1 2325812756 FALVTDRZBJMBQI-KRWDZBQOSA-N 349.413 2.699 0 50 EFAA Cc1cc(NC(=O)c2cc(C)n(CCN)n2)ccc1-c1ccncc1 2325857012 MBTUXLWURFVAPD-UHFFFAOYSA-N 335.411 2.773 0 50 EFAA CN(C)C(=O)C1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 2325879815 IWKGXPCOQNCQOR-UHFFFAOYSA-N 343.254 2.863 0 50 EFAA CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 303875 OOMIFRHKGCSXED-UHFFFAOYSA-N 342.370 2.713 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O 582724 YYLZXQPQTAJBDM-GFCCVEGCSA-N 344.436 2.796 0 50 EFAA O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1050152 SNYKRLJKQASJLK-ZIAGYGMSSA-N 348.830 2.720 0 50 EFAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2C)c1 2879373 IVZGTVPXBMXCFM-UHFFFAOYSA-N 344.436 2.996 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 4141174 TXYCFHIMFXUGLV-CQSZACIVSA-N 338.791 2.548 0 50 EFAA S=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2ccco2)CC1 4999183 SJXKOSOSNRUTAX-UHFFFAOYSA-N 345.424 2.523 0 50 EFAA Cc1ccn(-c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)n1 8782727 KTAFSCILAPJFID-CVEARBPZSA-N 325.368 2.786 0 50 EFAA CCc1noc(C)c1CNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 413573329 SJRHZVPGCWQFET-AWEZNQCLSA-N 346.406 2.763 0 50 EFAA Cc1nnc(SCC(=O)NC[C@H](C)N(C)c2ccccc2)s1 55108540 FVBMCVQYWFEANI-NSHDSACASA-N 336.486 2.580 0 50 EFAA COc1ccc(OC)c(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1 21806847 VYITUABDCUTUOQ-UHFFFAOYSA-N 329.278 2.708 0 50 EFAA CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCN(C2CC2)C1 246757687 XUPBWOPIUKPRTJ-VNQPRFMTSA-N 325.522 2.834 0 50 EFAA COc1ccc(C)cc1NC(=O)CN1CCN(c2ccccc2)CC1 55565692 WQZBMNOCALWHQB-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA CCC1=NO[C@H](CNC(=O)c2cc(CN(CC)CC)c(CC)o2)C1 55371019 QSEGGMMMRUCWNQ-HNNXBMFYSA-N 335.448 2.969 0 50 EFAA C[C@@H](C(=O)NCc1cccnc1N(C)Cc1ccccc1)n1ccnc1 67789928 UJCCPGDIGSWQKJ-INIZCTEOSA-N 349.438 2.792 0 50 EFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1COc2ccccc2C1=O 248725217 MZZOKFHZFNYRTJ-VNQPRFMTSA-N 331.412 2.732 0 50 EFAA O=C(CCOc1ccccc1)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65527830 IPVMVCGUHJQVRN-RBUKOAKNSA-N 343.398 2.972 0 50 EFAA Cc1cc(F)c2nc(O)cc(C(=O)NCCCN3CCCCC3)c2c1 351892743 KASWUPLXXSPWQB-UHFFFAOYSA-N 345.418 2.994 0 50 EFAA CC(C)n1ccc(NC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)n1 280864983 YGNSVXSTAQYQQO-NSHDSACASA-N 333.358 2.564 0 50 EFAA CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1 280967221 SRXCUHWQHJOMII-QAPCUYQASA-N 346.471 2.906 0 50 EFAA CC(=O)N1CCC(CNC(=O)N2CCC(c3ccccc3)CC2)CC1 171722348 LJXSCOVOXJILKQ-UHFFFAOYSA-N 343.471 2.834 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccncc1OCC(F)(F)F 281037438 DZRXEXYVYPBNJL-STQMWFEESA-N 346.349 2.844 0 50 EFAA CN(Cc1[nH]nc2c1CCCCC2)Cc1cccn1-c1ncccn1 67514947 RSDZZWPNWLKAIR-UHFFFAOYSA-N 336.443 2.891 0 50 EFAA O=C(O)C(=Cc1ccn(-c2ccc(Br)cc2)c1)C(=O)O 4050267 UVAABFVSYZUVOU-UHFFFAOYSA-N 336.141 2.792 0 50 EFAA O=C(C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1 12314798 WUKSMACXHLPEPM-NRFANRHFSA-N 337.419 2.713 0 50 EFAA O=C(O)[C@]1(Cc2ccccc2)CCCN(c2ncnc3c2CCC3)C1 71661558 ALFQVXPSIPXGOU-FQEVSTJZSA-N 337.423 2.879 0 50 EFAA Cc1ccc2nccc(N3CCC[C@H](c4cc(C(N)=O)n[nH]4)C3)c2c1 329495623 FQIDHPRDGXVUPD-ZDUSSCGKSA-N 335.411 2.749 0 50 EFAA C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@]2(CCOC2)C1 253392548 NVTAGBXGVHLGOU-YVEFUNNKSA-N 349.431 2.897 0 50 EFAA C[C@H](C(=O)NCCc1cn2ccccc2n1)n1cnc2ccccc21 30558705 VUEQFMPLHPRVCD-CQSZACIVSA-N 333.395 2.604 0 50 EFAA FC(F)(F)[C@H]1CN(C2CCN(Cc3ccccc3)CC2)CCO1 71730654 RBKBWAZSDSYROT-MRXNPFEDSA-N 328.378 2.914 0 50 EFAA CCOC(CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)OCC 328593612 OCACHUAFWYZFLP-MRXNPFEDSA-N 349.475 2.534 0 50 EFAA COC[C@H]1[C@H](NC(=O)c2cc3c(s2)CCCCC3)[C@H]2CCO[C@H]21 1074599211 HTJKVPVISPIADY-DLTLXFJOSA-N 335.469 2.797 0 50 EFAA CCn1cnnc1[C@H]1CN([C@H](C)c2nc3ccccc3o2)CCO1 328634114 MMYSKCLHFFPQAS-IUODEOHRSA-N 327.388 2.574 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccsc3)CC2)cn1 72427038 DYUWSNFJQJIYCZ-UHFFFAOYSA-N 346.408 2.590 0 50 EFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1C[C@H]2CC[C@H]1C2 126846865 NVUQXCGMHFMXMI-YJBOKZPZSA-N 331.435 2.984 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1noc(-c2ccccc2)n1 72154737 SIQCEKLCQZEDPB-GOSISDBHSA-N 327.384 2.798 0 50 EFAA C[C@@H](NCCc1nnc2n1CCCCC2)c1ccc([S@](C)=O)cc1 126658094 GYLHGNDJHOPCAQ-JBEBIEQOSA-N 346.500 2.635 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 237371551 JBAITMZLJRGNIL-QAPCUYQASA-N 339.439 2.860 0 50 EFAA Cc1cc(CN2CCNC(=O)CC2)c(C)c(CN2CCCC[C@@H]2C)c1 215729897 PFATYNAPYKJEBS-KRWDZBQOSA-N 343.515 3.000 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@H](C)N)C3)c2C)no1 237447103 HRYQCEAVQBBMBF-ZFWWWQNUSA-N 330.432 2.590 0 50 EFAA C[C@H]1CCCN(CCCOc2ccc(CN3CCN(C)CC3)cc2)C1 216471564 QRHDGXPUOKGNPX-IBGZPJMESA-N 345.531 2.935 0 50 EFAA Cn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)cn1 77520119 YNSXMBSRWDCWSK-INIZCTEOSA-N 349.438 2.754 0 50 EFAA Cc1ccccc1C(C)(C)C(=O)NC[C@H](C(=O)O)C1CCOCC1 262838750 BXZLKFURUZIUCV-HNNXBMFYSA-N 333.428 2.516 0 50 EFAA CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc(N(C)C)ccn1 131478323 HJSDQAWSRGRCDK-SFHVURJKSA-N 327.428 2.652 0 50 EFAA CC(C)[C@H]1CN(C(=O)C2CC2)CCC(=O)N1Cc1ccc(F)cc1 71735571 JHJBHCNHFQLKCX-QGZVFWFLSA-N 332.419 2.821 0 50 EFAA COc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CN1CCOCC1 175489534 GWTKQZKSIWTTNL-MRXNPFEDSA-N 347.459 2.722 0 50 EFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 238128059 GFIYJGCHAJTQIN-GXFFZTMASA-N 329.755 2.680 0 50 EFAA COC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC(C)(C)O1 285573334 SELGZFHJEKJIBA-LLVKDONJSA-N 346.349 2.675 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1ncnn1C 176453754 SVUHWYSAQKYUQG-CYBMUJFWSA-N 327.432 2.608 0 50 EFAA Cc1c(NC(=O)c2ccccc2S(C)(=O)=O)cnn1C1CCCC1 192712044 ZWXBQNOVHOEEOT-UHFFFAOYSA-N 347.440 2.962 0 50 EFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 222897636 AQKPHEJEAUGIIJ-SJORKVTESA-N 340.423 2.616 0 50 EFAA COCC[C@@H]1CN(C(=O)CCCc2ccc(Cl)cc2)CCO1 222463762 CCEVAVZKBQQQPR-MRXNPFEDSA-N 325.836 2.927 0 50 EFAA NC[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 178548880 VFUXYAKIMIQZAL-NSHDSACASA-N 335.860 2.813 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ncoc1C1CC1 222457024 YJVZIJUHFAQDDV-HZPDHXFCSA-N 342.395 2.656 0 50 EFAA Cc1ccc(C(=O)O)c(N2CCC(OCc3cccnc3)CC2)n1 96165830 RHHBMXWZMKXFMM-UHFFFAOYSA-N 327.384 2.669 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c(=O)[nH]2)cc1 92021305 OTNJAYMAXORLAM-LBPRGKRZSA-N 338.367 2.567 0 50 EFAA COc1cc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)nc(N)n1 95526554 MGXUOIJBFRDMFK-UHFFFAOYSA-N 329.791 2.765 0 50 EFAA CCCn1ncc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)c1C 91504279 FWMULPOPBLZCQA-CQSZACIVSA-N 343.427 2.591 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@@H]1COc2c(cccc2OC)C1 91551393 LLPMLMCLDHLQGU-ZDUSSCGKSA-N 346.452 2.890 0 50 EFAA Cc1cccc([C@@H](C(=O)O)N2CCN(C3CCCCC3)C(=O)C2)c1F 95508540 MCUWUIFVIZTOIU-SFHVURJKSA-N 348.418 2.737 0 50 EFAA CC(C)c1nnsc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795064 QYVRQJPOKWSSME-CWSCBRNRSA-N 337.470 2.965 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C=C[C@H]3[C@H]3CC[C@H]31)C2 248339531 SZQFFWZDORMEKT-KOQJIHFMSA-N 341.455 2.891 0 50 EFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1scnc1C1CCCC1 184385690 XPSXRMXXVYHWFK-NSHDSACASA-N 333.457 2.541 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 298674927 DPYIOGLARKGKSP-ZIAGYGMSSA-N 326.400 2.651 0 50 EFAA COc1cccc2c1ccn2CCC(=O)N[C@H](CO)c1ccccc1 252487046 HRBUWEYBDJSEOR-QGZVFWFLSA-N 338.407 2.890 0 50 EFAA COc1cc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc(OC)c1OC 263615128 ASACHPBFMMWNNQ-UHFFFAOYSA-N 342.355 2.683 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)n[nH]1 299754479 VPXZLXSEMWRTJR-YJBOKZPZSA-N 332.492 2.945 0 50 EFAA biogenic O=C(CSCC1CC1)N[C@H]1CCCN(Cc2cccc(O)c2)C1 299789522 YXVKTPLIFBLZSL-INIZCTEOSA-N 334.485 2.616 0 50 EFAA O=C(NCCN1CCCCC1=O)Nc1cccc(C(F)(F)F)c1F 299801497 ZLCAMOINYNCHRQ-UHFFFAOYSA-N 347.312 2.979 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3c(C)ncn3C)C2)cc1 299790597 BBZZNQLZSRWOEK-INIZCTEOSA-N 327.428 2.968 0 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Cc1nn(C)c2ncc(CN3CCn4c(C(C)C)nnc4[C@H]3C)cc12 189527984 XZLDOBRSFHLBQQ-CYBMUJFWSA-N 339.447 2.568 0 50 EFAA CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1n[nH]c2ccccc12 644907164 MOGQGYIZXLOQLB-LJQANCHMSA-N 334.423 2.626 0 50 EFAA CC1(C)CCN(C(=O)Nc2ccc(Cl)cc2F)CCS1(=O)=O 194546096 IUPJEKWKOKLMSV-UHFFFAOYSA-N 348.827 2.910 0 50 EFAA Cc1nnc([C@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@@H](C)O2)o1 661932077 MAKOFFICPQAMNX-CXAGYDPISA-N 339.399 2.526 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2noc3c2CCCC3)c2ccccc21 669436213 DNCUNTLJETWHLP-LBPRGKRZSA-N 326.352 2.772 0 50 EFAA CCOc1nc(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)co1 681331803 LSRXKKZFXKNZPN-HNNXBMFYSA-N 334.347 2.735 0 50 EFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775981235 IAXFKVPASNEWTQ-GOSISDBHSA-N 345.830 2.818 0 50 EFAA COc1cccc(-n2nnc(C(=O)Nc3ccccc3OC)c2C)c1 11690172 VQLZRMWUHYVENE-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA O=C(Cc1cccnc1)N1CCO[C@H](Cc2ccccc2Cl)C1 19867076 YCYOPMLODRWQSR-MRXNPFEDSA-N 330.815 2.748 0 50 EFAA O=C(NCc1nc2ncccc2o1)c1c[nH]nc1-c1cccc(F)c1 1857687908 LETLPOHXIABXMR-UHFFFAOYSA-N 337.314 2.682 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@]1(C)CC13CCNCC3)CCC2 1857690572 NTLCKKCMLMWRNB-IBGZPJMESA-N 328.456 2.580 0 50 EFAA Cn1nc(-c2ccccn2)cc1NC(=O)c1cc(=O)c2ccccc2o1 1875246079 HSIPXPAFGIHGDR-UHFFFAOYSA-N 346.346 2.841 0 50 EFAA O=C(CCn1ccnc1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 213240581 MAUHYKDPFGFJDP-UXHICEINSA-N 349.434 2.803 0 50 EFAA C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(C)(=O)=O)o1 331855826 HOTYPLVRSCXYPI-VIFPVBQESA-N 325.411 2.504 0 50 EFAA O=C(NC[C@@H]1CCOC2(CCC2)C1)N1CC[C@@H](Oc2ccccn2)C1 333200002 QUDBQTOLEBROSC-HZPDHXFCSA-N 345.443 2.594 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 237399254 AESXIKQKSBKOBZ-BXUZGUMPSA-N 333.432 2.830 0 50 EFAA O=C(NCc1ncccc1O)[C@H]1CCN(c2ccccc2Cl)C1 356113530 XEGHCXZEONCORZ-LBPRGKRZSA-N 331.803 2.583 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)c1cc(F)c(F)cc1Cl 150702978 KWLZTSCRYGCVEH-UHFFFAOYSA-N 342.733 2.735 0 50 EFAA Cc1ccc(-c2c[nH]cc2C(=O)N2CCN(C(C)(C)CO)CC2)s1 681740097 QMKZOQVGUBSUNK-UHFFFAOYSA-N 347.484 2.580 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H]1c1nncn1C 152244174 OJNSDQDOBGOALW-YPMHNXCESA-N 347.394 2.571 0 50 EFAA Cc1c(C(=O)N[C@H](C)c2ccccn2)cnn1CC1CCOCC1 374152538 YWIDPKHJRAIIQG-CYBMUJFWSA-N 328.416 2.504 0 50 EFAA CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)N)C1CC1 158748113 WLHOFXMLLCYFMC-SNVBAGLBSA-N 341.249 2.686 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c1 263572198 KPNCHLNFAQXQJF-KRWDZBQOSA-N 347.411 2.575 0 50 EFAA O=C(c1cccnc1N1CCCC1)N1CC[C@H](CN2CCCCC2)C1 266228263 NCYGZZVLZOZARN-QGZVFWFLSA-N 342.487 2.630 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1 390614291 MSFUZHXRNNPSDV-INIZCTEOSA-N 331.393 2.911 0 50 EFAA Cc1nc(CC(C)C)oc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910204039 FSUBUFBIAUPCKA-AWEZNQCLSA-N 332.356 2.599 0 50 EFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1nc2c(s1)CCC2 931137547 CVQSPHMJSDOZNV-GFCCVEGCSA-N 347.444 2.539 0 50 EFAA Cc1nccn1[C@H]1CCCN(C(=O)c2cc(O)nc3c2CCCC3)C1 932120528 NCEQQLKJNNFTQY-AWEZNQCLSA-N 340.427 2.648 0 50 EFAA Cc1cc(CN2CC(C)(c3nnc(-c4ccccc4F)o3)C2)ncn1 952892648 PHJUAJSUMRSFMS-UHFFFAOYSA-N 339.374 2.748 0 50 EFAA COCc1cccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)c1 952890398 SMPJUQXZYNKILA-HNNXBMFYSA-N 343.383 2.622 0 50 EFAA COCCc1nsc(N2CC(C)(C)[C@H]2c2nccn2CC2CC2)n1 952891896 AFVWEPZRHSGIAC-CQSZACIVSA-N 347.488 2.921 0 50 EFAA O=C(Nc1ccc2c(c1)CNCCC2)c1cc(O)nc2c1CCCC2 1875292498 KCRAPWVFAAVNQZ-UHFFFAOYSA-N 337.423 2.954 0 50 EFAA Cn1c(NC(=O)c2ccc(Nc3ncccn3)cc2)nc2cccnc21 1875258353 BHPSACPRXXAPKJ-UHFFFAOYSA-N 345.366 2.754 0 50 EFAA Cc1nc2c([nH]1)C[C@H](NC(=O)CCOc1ccc(C)c(C)c1)CC2 1875276387 VSXRLFLQUVZCRJ-OAHLLOKOSA-N 327.428 2.778 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(c4ccccc4F)CC3)n[nH]c21 1875394199 YHFFZJTWARKEGS-MNOVXSKESA-N 329.375 2.990 0 50 EFAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(C)Cc1cccc(O)n1 887163868 MTGAXXYCZKIRQF-GFCCVEGCSA-N 347.440 2.718 0 50 EFAA CNC(=O)c1cccc(COc2cc(Br)cnc2C=O)c1 1459289224 KISZFUDFYBGWQT-UHFFFAOYSA-N 349.184 2.595 0 50 EFAA c1ccc(OCCn2c(CN3CCOCC3)nc3ccccc32)cc1 19939674 BVZKDJCUSQCLCU-UHFFFAOYSA-N 337.423 2.948 0 50 EFAA Cc1nc2ncc3c(=O)n(-c4cccc(C(F)(F)F)c4)ccc3n2n1 30875068 OVRDDZOBYRLIAC-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA COC(=O)[C@@H]1CC2(CCC1=O)CCN(C(=O)OC(C)(C)C)CC2 118288920 JUBTYFPNWAWUOL-GFCCVEGCSA-N 325.405 2.546 0 50 EFAA CC(C)(C)c1csc(CN2CCC3(CC2)C[C@@H](C(=O)O)CO3)n1 2325780250 STRSQLXBBGYOQY-GFCCVEGCSA-N 338.473 2.896 0 50 EFAA O=C(O)[C@@H]1CN(Cc2conc2C(F)(F)F)C[C@H]1c1ccccc1 2325798355 SXGLUFROFWCTSK-QWHCGFSZSA-N 340.301 2.994 0 50 EFAA Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cccc2ccn(C)c12 2325851756 IEPFQTBDYVKNQF-UHFFFAOYSA-N 344.392 2.986 0 50 EFAA Cc1c(C)n(CCN(C)C)c2ccc(C(=O)OCCN(C)C)cc12 919 LOCIGFDPZFJXFT-UHFFFAOYSA-N 331.460 2.538 0 50 EFAA in-man COc1ccc(N2C(=O)C(Cl)=C(N3CCC[C@H](C)C3)C2=O)cc1 90627 PXGIAWSSFXNWBW-NSHDSACASA-N 334.803 2.751 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 123916 CCKPEIMYOPVTAS-LLVKDONJSA-N 336.347 2.512 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 309357 HKUYSQZNBPQKAZ-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA O=C(NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl 315054 NFZZGKCXDMFYKZ-VIFPVBQESA-N 333.240 2.777 0 50 EFAA Cc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 389219 DOHTVKJCYRFRGA-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CC(=O)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1461171 VZFJMXZNILLZSU-CYBMUJFWSA-N 325.320 2.815 0 50 EFAA Cc1ccc(F)cc1-c1cnc2c(N3CCC(O)CC3)nccn12 2356146520 JRKMVXFZFMRQSM-UHFFFAOYSA-N 326.375 2.805 0 50 EFAA COc1cccc(OC)c1OCCCn1cnc2ccccc2c1=O 2862949 UPOWZLANVLKDOU-UHFFFAOYSA-N 340.379 2.883 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C 4536219 UDLKUJPACGFLMX-MRXNPFEDSA-N 332.400 2.593 0 50 EFAA CCc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 6703761 NQGCSRDIZRINOD-UHFFFAOYSA-N 338.407 2.940 0 50 EFAA CC1(C)CN=C(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)S1 225408899 IFLRNNAHTYNHIC-HZPDHXFCSA-N 343.496 2.816 0 50 EFAA Cn1cc(-c2ccc(CN3CCC[C@@H]([C@@H]4CCNC4)C3)s2)cn1 414787657 VSFMXXZASLQKRE-HUUCEWRRSA-N 330.501 2.970 0 50 EFAA OCCCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 20541064 JXDWDCHCBBZEBI-UHFFFAOYSA-N 328.347 2.656 0 50 EFAA CCc1nc([C@@H](C)NC(=O)NC2(c3noc(C)n3)CCC2)cs1 116550125 IRNIYURNBMMJIN-SECBINFHSA-N 335.433 2.837 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1cccc(Cl)c1)C2 67724430 IZPDMWMTCUUQOI-ZDUSSCGKSA-N 333.819 2.902 0 50 EFAA CCc1ccccc1C(=O)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 102690986 KOADNEXZGSJVAM-KYJSFNMBSA-N 326.440 2.722 0 50 EFAA CN(CCC(=O)NCc1cccs1)Cc1nc2ccccc2n1C 65382767 CNHPALXDJWJAON-UHFFFAOYSA-N 342.468 2.773 0 50 EFAA CC(C)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 67878557 DPJZTFCZRBJMKM-OAHLLOKOSA-N 339.439 2.502 0 50 EFAA O=S(=O)(Cc1csc(-c2ccnc(O)c2)n1)c1ccccc1 352273259 HUHNYXVOORPEKA-UHFFFAOYSA-N 332.406 2.885 0 50 EFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@H]1c1ccccn1 65404603 NGLXUKJWAZFJBJ-KRWDZBQOSA-N 331.379 2.911 0 50 EFAA COC(C)(C)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 252491773 LSSGQXHVQXHDMR-CYBMUJFWSA-N 328.453 2.565 0 50 EFAA FC(F)(F)Cn1nnnc1SCCc1ccc2c(c1)CCO2 150955852 HQQRJDOPJBOROK-UHFFFAOYSA-N 330.335 2.505 0 50 EFAA CCn1c([C@@H]2CCCN(c3nc4ccccc4s3)C2)nn(C)c1=O 67840790 FZJFXZLZDIIGNW-GFCCVEGCSA-N 343.456 2.595 0 50 EFAA CC1=Nn2c(nnc2C(F)(F)Cl)S/C1=C/c1cnn(C)c1C 2766545 KHTYZTSDAMBTRW-RUDMXATFSA-N 344.778 2.979 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2CCC[C@@H](N(C)C)CC2)c(C)o1 219453605 WTPNRZKFOYJDOG-MRXNPFEDSA-N 335.492 2.986 0 50 EFAA c1cc(-c2nnc(N3CC[C@@H](n4cnc5c4CCCC5)C3)s2)no1 329223244 XSLFIXPYRAYCID-LLVKDONJSA-N 342.428 2.720 0 50 EFAA Cc1ncc2c(c1CNC(=O)C[C@H]1CCc3ccccc31)CCNC2 72473006 LMIXLTVOJXVESZ-MRXNPFEDSA-N 335.451 2.772 0 50 EFAA CCNc1nc(C)c(C(=O)NCCc2cn3ccsc3n2)s1 215278350 SFMNIMPDGYEQCX-UHFFFAOYSA-N 335.458 2.565 0 50 EFAA CC(C)(C)n1cc(NC(=O)NC2CCN(c3nccs3)CC2)cn1 333069731 OOSGFYWGAVSMEJ-UHFFFAOYSA-N 348.476 2.885 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N(CCO)Cc1ccccc1 127229623 YLYNICVOQASSCG-UHFFFAOYSA-N 337.423 2.756 0 50 EFAA O=C([C@@H](O)c1ccccc1)N1CCC(c2ccccc2CO)CC1 372615709 AIKKBFPMPYROOV-IBGZPJMESA-N 325.408 2.619 0 50 EFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)CC2=CCCCC2)n1 372774404 BWZINHIRBFDAOA-AWEZNQCLSA-N 344.415 2.516 0 50 EFAA C[C@@H](C(=O)NCCc1cn2ccccc2n1)n1cnc2ccccc21 30558703 VUEQFMPLHPRVCD-AWEZNQCLSA-N 333.395 2.604 0 50 EFAA O=C(NCc1ccc(C(=O)O)o1)c1ccc(N2CCCCCC2)nc1 238132874 CDKQTTCQEQCRQB-UHFFFAOYSA-N 343.383 2.683 0 50 EFAA Cc1ncc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)n1 378472340 IKLIVMVEIGXFLK-UHFFFAOYSA-N 343.774 2.727 0 50 EFAA C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F 173511575 QDFHACAAAOJOFI-OCCSQVGLSA-N 349.385 2.707 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 240551529 GUKLVDMCCKJIQT-VBHSOAQHSA-N 347.434 2.759 0 50 EFAA COc1ccc(OC)c2c1CN(c1ncc(Cl)cc1F)C[C@@H]2O 241139408 JQPKSCXFEJNXRG-LBPRGKRZSA-N 338.766 2.945 0 50 EFAA CCn1cnc2c(N3CCC[C@H]3c3c(C)nn(C)c3C)ncnc21 241466126 NUZROSDGWKPLLN-ZDUSSCGKSA-N 325.420 2.538 0 50 EFAA O=C(NCCc1ccc2ccccc2n1)c1ccc(NCC2CC2)nc1 337671362 XLCGPEUELROBLV-UHFFFAOYSA-N 346.434 3.424 0 50 EFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCCCc2ccncc2)n1 222403848 LIWDOQHIQRXXSN-CQSZACIVSA-N 330.457 2.718 0 50 EFAA O=C(Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3)c1ccccc1 17071687 FDKVSROHEOPONZ-UHFFFAOYSA-N 343.433 2.993 0 50 EFAA O=C(CSc1ccncc1)NCCCc1nc2cc(F)ccc2[nH]1 222657203 WANOZCJSUCUZDW-UHFFFAOYSA-N 344.415 2.938 0 50 EFAA CCC[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@H]1NC(C)=O 82106695 VDCDKKRHYYDJTD-UKRRQHHQSA-N 340.370 2.665 0 50 EFAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1[C@H]2CC[C@@H]1CNC2 82127250 SCHYHBMGVIRPNI-CALCHBBNSA-N 332.407 2.578 0 50 EFAA FC(F)(F)c1cc(N2CCCC[C@H]2c2cc[nH]n2)n2ncnc2n1 288828356 BIHVLIAFXVBNDL-JTQLQIEISA-N 337.309 2.598 0 50 EFAA Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)cc1 426596470 IZUPHIBIDSJQRD-HNNXBMFYSA-N 328.416 2.943 0 50 EFAA COC(=O)c1cccc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1 426612567 PNLHWQCAZGISIW-QGZVFWFLSA-N 325.364 2.659 0 50 EFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccc(C)s1)CC2 426383806 JXZQPDBDXJKHAU-BHYGNILZSA-N 325.474 2.577 0 50 EFAA CN(Cc1noc(C2CCCC2)n1)C(=O)c1nc2ccccc2[nH]1 426506853 SCILKSRMQHRHOR-UHFFFAOYSA-N 325.372 2.876 0 50 EFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccc(CO)cc2)C1 92001871 REJGKPJOLFPPEM-FQEVSTJZSA-N 345.439 2.771 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 238052323 RFTHIWLZNJFFIB-UHFFFAOYSA-N 338.363 2.873 0 50 EFAA O=C(NCCc1nc(-c2ccccc2)cs1)N1CCC[C@H](O)C1 426712159 OLWCYVPLSJIFOM-AWEZNQCLSA-N 331.441 2.519 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)c(F)c1F 95374985 RVWPUJZANZUYIE-QWHCGFSZSA-N 326.387 2.632 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)NCCCc1ccccn1 426510316 OYTMPJQARANBSB-UHFFFAOYSA-N 343.431 2.896 0 50 EFAA CC(C)c1cc(CN(C)C(=O)Nc2ccc3[nH]c(=O)oc3c2)no1 97785366 MIGDQDVATQJRFN-UHFFFAOYSA-N 330.344 2.896 0 50 EFAA CC1CCN(C(=O)C2CCN(Cc3cnn4ccccc34)CC2)CC1 179390390 BGCJZVCJVSKVPR-UHFFFAOYSA-N 340.471 2.805 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@H](C)[C@@H]2OCCc3sccc32)n1 293015809 MNCPZMAOUNXCPJ-RNCFNFMXSA-N 335.429 2.920 0 50 EFAA CCc1cc(CC)c(NC(=O)N2CCOC[C@@H](CO)C2)c(CC)c1 96153914 FWTMTRXWRHRNGB-OAHLLOKOSA-N 334.460 2.846 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)N2C[C@@H](CO)c3ccccc32)n1 293814350 DTJMVZJDLMNGBV-NSHDSACASA-N 331.803 2.990 0 50 EFAA Cc1nc(CCNC(=O)CC[C@@H]2CCCN(C)C2)sc1Cl 91391505 CKJBGMXUWXUXJZ-LBPRGKRZSA-N 329.897 2.886 0 50 EFAA O=C1CCCCCCCN1CC(=O)N(Cc1nccs1)C1CC1 95515391 AAZGSOGCUNBZJT-UHFFFAOYSA-N 335.473 2.817 0 50 EFAA CCCCSc1nc(N)cc(NCc2cccc(C(=O)NC)c2)n1 95386091 BZTPYSHNMYJYRY-UHFFFAOYSA-N 345.472 2.923 0 50 EFAA COc1ccc2c(c1)OC[C@H](Cc1nccnc1N1CCCC1)C2 91445023 URQKMHSODPOPSC-AWEZNQCLSA-N 325.412 2.879 0 50 EFAA COc1cccc(C(=O)N2CCC(Oc3ccncc3)CC2)c1OC 244873451 WQPJQVAHYRHMSC-UHFFFAOYSA-N 342.395 2.782 0 50 EFAA CC1(C)C[C@@H](NC(=O)Nc2ccc(-n3cccn3)nc2)C(C)(C)O1 181578021 VNPJOEDLHQSOGD-CYBMUJFWSA-N 329.404 2.735 0 50 EFAA CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2O)C1 182067839 FJYNXSCDDSDFJD-BXUZGUMPSA-N 342.361 2.967 0 50 EFAA CN(C)CC(C)(C)CNC(=O)c1cc(N(C)C)nc2ccccc12 182673971 WMKGALXJXPYFSZ-UHFFFAOYSA-N 328.460 2.618 0 50 EFAA COc1cc(F)ccc1OCc1nnc([C@H]2C[C@@H](N)C2)n1C1CC1 252571540 YCTPYEXUGRZLET-KLPPZKSPSA-N 332.379 2.544 0 50 EFAA O=C(O)c1coc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 183787109 RLIBAKGSPQDRKD-MRXNPFEDSA-N 347.342 2.703 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCc2nc[nH]c2C1 534660329 BUNXUSCBCQXTNE-OAHLLOKOSA-N 326.400 2.564 0 50 EFAA Cc1ccc(SC2CCN(C(=O)N[C@H]3CCCNC3=O)CC2)cc1 534656662 CHYBWHZHCLYMSR-INIZCTEOSA-N 347.484 2.540 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3cccs3)n(C)n2)n1 299783396 XSZAGEOSOZTAAA-LBPRGKRZSA-N 343.456 2.780 0 50 EFAA Cc1nc(-c2ccc(NC(=O)c3csc(CN(C)C)n3)cc2)n[nH]1 823719799 CFCWFGSRHBETSP-UHFFFAOYSA-N 342.428 2.551 0 50 EFAA Cc1cc(C(=O)N(Cc2cccnc2)Cc2cccnc2)nc(C)n1 825261460 IFYLGBUCDHRMMK-UHFFFAOYSA-N 333.395 2.726 0 50 EFAA C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1ncnc2n[nH]cc12 1337981346 ANSSDLHKILHIER-NSHDSACASA-N 344.369 2.736 0 50 EFAA CC(C)C1(CNC(=O)Nc2cc(=O)n(C)cc2Br)CC1 1426370138 AJZBWHLMDUKQKO-UHFFFAOYSA-N 342.237 2.706 0 50 EFAA COc1cc2c(cc1CNCCCc1csc(N)n1)OCCCO2 952975557 JJAUPKDUNQQATC-UHFFFAOYSA-N 349.456 2.618 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CCO1 272076446 MCNQHJUCUYGSJC-NZSAHSFTSA-N 330.472 2.925 0 50 EFAA CS[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 186096043 VWSMUISOQUHWNL-MWLCHTKSSA-N 346.374 2.678 0 50 EFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@@H]1c1nccn1C 275715233 YPJZEVVPTOBYMI-XUWXXGDYSA-N 343.427 2.590 0 50 EFAA C[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1nncn1C 170088680 HIDZCXNCMGGTSU-JTQLQIEISA-N 328.445 2.914 0 50 EFAA CCCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)C(=O)O 170592109 KOHRJZHMQSKNIR-CQSZACIVSA-N 345.399 2.849 0 50 EFAA COc1ccc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)cn1 280234355 MKRFFRPGYASGNC-UHFFFAOYSA-N 340.423 2.608 0 50 EFAA CC(C)(Cc1ccc(Br)cc1)NC(=O)C1=COCCO1 171309949 VEVJEBCNFJMDSR-UHFFFAOYSA-N 340.217 2.775 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(F)c(F)cc2F)C1 190147056 NRQKETLJPQLKMZ-QMTHXVAHSA-N 327.306 2.757 0 50 EFAA O=C(Nc1scnc1-c1ccccc1)N[C@H]1CCc2ncnn2C1 194000746 SIBZCRRNUFSXTG-LBPRGKRZSA-N 340.412 2.538 0 50 EFAA CC(C)(C)OCC(=O)N1CCN(c2cncc3ccccc23)CC1 194287122 PQVHXEDGTBJPHA-UHFFFAOYSA-N 327.428 2.699 0 50 EFAA CO[C@@H]1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1(C)C 652616933 HQIZNJSORSMGCD-OAHLLOKOSA-N 329.404 2.546 0 50 EFAA CC(=O)Nc1nc(C(=O)N2CCC(OC3CCCC3)CC2)cs1 195461398 VHEHRZVWIHORKP-UHFFFAOYSA-N 337.445 2.665 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 779857407 QKIIFFNNWNMIQE-LXTVHRRPSA-N 333.432 2.905 0 50 EFAA CN(Cc1cccc2cnccc12)C(=O)c1cc(O)cc(C(=O)O)c1 1506411650 JBDRLZVBGSNTTM-UHFFFAOYSA-N 336.347 2.911 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)N1CCO[C@H](c2ccc(F)cc2)C1 1506402642 UQSMKQSPQGCJLJ-RTRPANQVSA-N 347.411 2.993 0 50 EFAA O[C@H]1CN(c2ccc(-c3ccccc3)nn2)C[C@H]1Cc1ccncc1 1529152510 MDSGYAIAHJFXOA-MJGOQNOKSA-N 332.407 2.578 0 50 EFAA CNC(=O)c1cccnc1N[C@H](C)c1cc(OC)c(OC)c(OC)c1 1529177745 FWLOLJNZRCIVOX-LLVKDONJSA-N 345.399 2.640 0 50 EFAA O=C(c1n[nH]cc1Cl)N1CCC2(CC1)OCCc1ccsc12 1704339646 UTQGWMBUCWOGRU-UHFFFAOYSA-N 337.832 2.829 0 50 EFAA CCOc1ccc(C(=O)NCc2[nH]nc3ncccc23)cc1OCC 1772810532 LBHGIGZSXZFKPG-UHFFFAOYSA-N 340.383 2.685 0 50 EFAA CC(C)(C(=O)N[C@H](CCO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1 5496413 VGOHJZOCOGLPBZ-OLZOCXBDSA-N 326.481 2.769 0 50 EFAA CN(C(=O)C1CCOCC1)[C@H]1CCCN(CCCc2ccccc2)C1 11840659 PVRTVPJXZLXPKQ-FQEVSTJZSA-N 344.499 2.969 0 50 EFAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)C1CCCC1 12479811 JRPOAJAETWVGKC-INIZCTEOSA-N 334.847 2.790 0 50 EFAA O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865638 ZWRZKWGPMMOOFR-JTQLQIEISA-N 333.750 2.866 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(N3CCCCCC3)nc2)no1 15062801 MALDKDDSWBSCDM-UHFFFAOYSA-N 343.431 2.898 0 50 EFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1cccnc1 15067285 UYLPEWYKLGMBCA-GOSISDBHSA-N 345.402 2.766 0 50 EFAA COc1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 18054328 RWSSLTJLGPDLRX-UHFFFAOYSA-N 341.396 2.606 0 50 EFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3cc(C4CC4)ncn3)CC2)O1 1857671442 SCCZPNCHKZTYTR-NVXWUHKLSA-N 331.460 2.889 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCCN([C@@H]2CCSC2)CC1 1857689635 UJTJCDXLWNFELB-QGZVFWFLSA-N 346.496 2.665 0 50 EFAA CCc1nccc(-c2nccn2-c2ccc(CC(=O)NC3CC3)cc2)n1 1857740134 JRENYGSTKFQZSP-UHFFFAOYSA-N 347.422 2.713 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2ccc3nn[nH]c3c2)C[C@H](C2CC2)O1 1875243548 LQOURIYLYOKIQL-RHSMWYFYSA-N 328.416 2.768 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@H]21 423528364 NWDHYUDNGCRYCY-BPLDGKMQSA-N 345.443 2.682 0 50 EFAA O=C(NCCc1cccc(Cl)c1)N1CCC[C@H](Cn2ccnn2)C1 120450943 HQCFGVXSCRKIGK-HNNXBMFYSA-N 347.850 2.596 0 50 EFAA COCC[C@@H](C)S(=O)(=O)N1CCC(c2cccc(OC)c2)CC1 330914050 IRXACCCZPLYEGI-CQSZACIVSA-N 341.473 2.629 0 50 EFAA COc1cccc(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)c1OC 643707220 QOYMSQYPRFQGBL-MRXNPFEDSA-N 342.443 2.897 0 50 EFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCc3ccccc3CC1)C2 241564205 OSFGGSZQIVZERQ-OALUTQOASA-N 327.472 2.812 0 50 EFAA COc1ncc(C(=O)Nc2cc3c(O)ncnc3cc2F)cc1Cl 253630202 WLHHTWCJGQFHMS-UHFFFAOYSA-N 348.721 2.784 0 50 EFAA CCOc1cc(Cl)ccc1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 378240201 XLIVKAKZVUQRPM-KRWDZBQOSA-N 338.835 2.613 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@@H]3C(=O)O)c12 159891042 MPWKBUPHRKSJHK-CYBMUJFWSA-N 331.372 2.734 0 50 EFAA Cc1nn(C)c(N2CCC2)c1NC(=O)c1cnc2ccsc2c1 913249627 OXKRBWSKLBIQBL-UHFFFAOYSA-N 327.413 2.801 0 50 EFAA Cc1cc(C(F)F)oc1C(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C 905907497 JDVWXZIWJUCIED-NSHDSACASA-N 349.399 2.811 0 50 EFAA CCc1nc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)no1 818024312 JFYKDQDWLJVCKH-CRAIPNDOSA-N 331.416 2.513 0 50 EFAA Cc1c(Br)cc(F)cc1C(=O)N[C@@H](C)c1nc[nH]n1 933856569 XUWHNPFTTPUMAX-ZETCQYMHSA-N 327.157 2.506 0 50 EFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)OCCCF 952993312 VTODCKANPSWFSB-SNVBAGLBSA-N 337.317 2.892 0 50 EFAA O=C(CCOc1ccccc1F)N1CCC(c2cc(O)no2)CC1 1875296221 KOEDXQBSSMAMBQ-UHFFFAOYSA-N 334.347 2.694 0 50 EFAA CCc1ncc2c(n1)CCN(C(=O)c1cc(Cc3ccccc3)[nH]n1)C2 1875269595 MWTGQQPUAKGVTQ-UHFFFAOYSA-N 347.422 2.551 0 50 EFAA FC1(F)[C@@H]2CC[C@@H](N=c3[nH]n4cc(-c5cccnc5)nc4s3)[C@@H]21 1875294649 LLXGRXXTUXJDRF-CKYFFXLPSA-N 333.367 2.730 0 50 EFAA CC1(C)CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)S1(=O)=O 1875392480 DZDRNOMTELBXHL-UONOGXRCSA-N 325.405 2.660 0 50 EFAA Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](O)C2)cnn1C(C)C 1875334616 WZRZSTJFVWGKBT-AEFFLSMTSA-N 327.428 2.763 0 50 EFAA O=C(N[C@@H]1C[C@H]2CNC[C@@H]1C2)c1cc(C2CC2)nc2ccc(F)cc12 1875301987 WARBUNAKQVAJOJ-RRUGBERISA-N 339.414 2.979 0 50 EFAA CC(C)(C)OC(=O)[C@](C)(CNC(=O)N1C[C@H]2C[C@@H]2C1)c1ccccc1 889312050 TUXRFRFMXBPVLW-STXHMFSFSA-N 344.455 2.947 0 50 EFAA O=S1(=O)CC[C@@]2(CCCN(c3ccc(-c4ccncc4)cn3)C2)C1 894083774 PBZVEMLWGXDURP-GOSISDBHSA-N 343.452 2.549 0 50 EFAA Cc1c(C(=O)N2CC[C@H](Nc3ncccn3)C2)n[nH]c1-c1ccccc1 1775986573 IZOIHLFWAVXDKJ-HNNXBMFYSA-N 348.410 2.502 0 50 EFAA CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cc(C)c(Cl)s1 287655155 VETRQRWIOBBDQR-DTWKUNHWSA-N 337.850 2.584 0 50 EFAA CO[C@H](C)c1nc(C)c(C(=O)Nc2nccc3nccnc23)s1 2325781214 XXMGIQSGWQVVOK-SECBINFHSA-N 329.385 2.749 0 50 EFAA C[C@H](NC(=O)[C@@H](O)C(C)(C)N)c1ccc(-c2ccc(F)cc2)cc1 2325801819 XOMLDOIRIAKHLB-YVEFUNNKSA-N 330.403 2.768 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1cccc2c1nnn2C 2325805872 ASBXEBUGQXRCRY-LPHOPBHVSA-N 349.482 2.969 0 50 EFAA CCOc1ccc(-n2nc(CCCO)nc2C[C@@H]2CC[C@H]2OC)cc1 2325848141 AIRKREIRHKQQJH-WMLDXEAASA-N 345.443 2.558 0 50 EFAA CN1CCC(CNC(=O)c2nccc3[nH]ccc23)(c2ccccc2)CC1 870187818 FCTURBOTADMENT-UHFFFAOYSA-N 348.450 2.956 0 50 EFAA Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1C 132383 NSBNIUHQSIXRSB-UHFFFAOYSA-N 331.372 2.853 0 50 EFAA O=c1[nH]c2ccccc2c(=O)n1CCSc1nc2ccccc2o1 162556 QAWCHAGZOQNFIF-UHFFFAOYSA-N 339.376 2.623 0 50 EFAA O=C(COc1ccccc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 350760 FCAOAUIDNHIKDJ-SWLSCSKDSA-N 342.317 2.705 0 50 EFAA CCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 390229 UZFRHJGIDQQZLB-LLVKDONJSA-N 340.383 2.522 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2OC)NC(=O)N1 759209 PDPFGSGWDKMLSI-INIZCTEOSA-N 348.399 2.675 0 50 EFAA COc1cc(Cl)cc(C(=O)N2CCC[C@]23CCCN(C)C3=O)c1 2356167796 CJTNHSGVXFJNEU-KRWDZBQOSA-N 336.819 2.576 0 50 EFAA CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 10372498 VFUUNEHGYCGWIK-INIZCTEOSA-N 338.407 2.624 0 50 EFAA CCOC(=O)C1(COC)CCN(C(=O)CC2CCCCC2)CC1 225443791 QCKIHDWQZLFELS-UHFFFAOYSA-N 325.449 2.775 0 50 EFAA CCOc1ccccc1OCCN(C)C(=O)[C@H](C)n1nc(C)cc1C 55393119 IVTKGTKIBRQYPZ-INIZCTEOSA-N 345.443 2.997 0 50 EFAA CN1C(=O)c2ccc(C(=O)OC[C@@H]3CCCC(F)(F)C3)cc2C1=O 225731765 PJWJMLQADNCHBB-SNVBAGLBSA-N 337.322 2.895 0 50 EFAA CC(C)SCCNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67919808 DWIQXXWNTQAGML-UHFFFAOYSA-N 343.456 2.679 0 50 EFAA O=C(O)[C@@H](Cc1ccco1)n1ccnc1-c1ccc2c(c1)OCCO2 67642041 BXRMHPFORDOPPH-CQSZACIVSA-N 340.335 2.783 0 50 EFAA CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)[nH]n1 253428562 JKNVSZLOQNGYLH-GFCCVEGCSA-N 348.428 2.501 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccccc2)CC1 54172794 OVRLELBESOHJQP-QGZVFWFLSA-N 335.451 2.786 0 50 EFAA CCOC(=O)CC1(S(=O)(=O)Nc2ccc3scnc3c2)CC1 253424123 AUGUYYUHUZNQBB-UHFFFAOYSA-N 340.426 2.524 0 50 EFAA CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N(C)C2CC2)no1 252550856 SYXVQUZADUJVBQ-AWEZNQCLSA-N 345.443 2.661 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1cccc([C@@H]2CCNC2)c1 72127383 FPKAVYRZUGWLQM-QGZVFWFLSA-N 326.444 2.549 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1c(C)noc1C 123705157 GECDWJOWFHLECL-GJZGRUSLSA-N 331.420 2.813 0 50 EFAA Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cnsn1 124897599 WSVMRDNVNWPKIZ-UHFFFAOYSA-N 335.339 2.622 0 50 EFAA CN(c1ncccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1)C1CCCCC1 219999707 GHXIDWNBTGMRKF-QAPCUYQASA-N 342.487 2.627 0 50 EFAA COc1cccnc1C(=O)N1CCCN(CC2CC2)[C@@H](C(C)C)C1 71763492 HSCKIMRRQQWHKL-MRXNPFEDSA-N 331.460 2.673 0 50 EFAA C[C@H](Cc1cccs1)NC(=O)CC1(N2CCOCC2)CCCC1 172327951 JLCVHWOBPBIONI-OAHLLOKOSA-N 336.501 2.830 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)sc1C 357898320 RNXPGDXLDUKJPL-UHFFFAOYSA-N 325.411 2.793 0 50 EFAA Cc1ccc(/C=C/S(=O)(=O)N(C)C[C@H]2CCc3nccn3C2)cc1 328630668 QDKGPYDPMUSDIE-XLNAKTSKSA-N 345.468 2.686 0 50 EFAA Cc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328633544 MDJCMOLNFXGARL-STQMWFEESA-N 337.420 2.729 0 50 EFAA CCc1nc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cs1 328647531 TZYNMWWKIQJCCB-KBXCAEBGSA-N 347.532 2.954 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)o1 328615759 ZCIBHPINXMTMTC-GFCCVEGCSA-N 329.381 2.806 0 50 EFAA Oc1nc2ccccc2cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 364964271 WRUKYBQVYNEGQV-KRWDZBQOSA-N 338.411 2.609 0 50 EFAA Cc1ccc(F)c(OCC(=O)N2CC[C@H](Oc3ccccn3)C2)c1 366237631 NMUMYCSAUTXWRN-AWEZNQCLSA-N 330.359 2.588 0 50 EFAA CSCc1noc(CNC(=O)c2cc(-c3ccccc3)on2)n1 77388357 UXWGVOSHTRPSDX-UHFFFAOYSA-N 330.369 2.518 0 50 EFAA COC[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 172627700 FQERELJWQXXJHR-JTQLQIEISA-N 343.210 2.962 0 50 EFAA CC(C)=CCN1CCN(c2ncnc3c(C)csc23)C[C@H]1CCO 72470361 MPAMUERODIAUDH-OAHLLOKOSA-N 346.500 2.839 0 50 EFAA Cc1nc(CN(Cc2nccs2)[C@@H]2CC23CCNCC3)oc1C 261891132 QPZLVCTWKGNRAK-CQSZACIVSA-N 332.473 2.892 0 50 EFAA COc1ccc(C2(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)CCCC2)cc1OC 1074579241 TXPBLOAWMRYRPF-ZMSDIMECSA-N 345.439 2.809 0 50 EFAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CN1CC1CC1 77489199 NYYUIUOSNMNUHF-FQEVSTJZSA-N 342.439 2.647 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)nc1)N1CCCc2occc2C1 378114743 ROMQVBLHLCKKSC-UHFFFAOYSA-N 337.383 2.518 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc2ccccc2o1 374521952 NMRRRXWGDPDDLR-HNNXBMFYSA-N 339.395 2.997 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)N1CCC[C@H]([C@H]2CCNC2)C1 449213014 WORTZPADKVXRAQ-LNLFQRSKSA-N 328.456 2.539 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)[C@@H](C)N 449594252 XPIQGECQIAYEFG-GHMZBOCLSA-N 334.851 2.537 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[C@H]1CCCO1 378269550 YSCNDUJLHGQBGD-SOUVJXGZSA-N 348.447 2.794 0 50 EFAA COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 130209276 CONHCNLKCLFHKE-RVZJWNSFSA-N 337.464 2.731 0 50 EFAA Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)no1 17067547 VAMYPDHNFKKFRX-UHFFFAOYSA-N 329.444 2.710 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)NCCc1nncn1C(C)C 223092442 MIFYMUQWZPVCRI-UHFFFAOYSA-N 325.416 2.550 0 50 EFAA CCc1ccccc1OC1CN(C(=O)c2cccc(C(=O)OC)c2)C1 82157470 ULNDTGQMSUELMS-UHFFFAOYSA-N 339.391 2.939 0 50 EFAA O=C(Cc1ccc(C(=O)O)cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 263359926 TUDDXWGETQNHCL-QZTJIDSGSA-N 339.391 2.964 0 50 EFAA COc1cccc(Cn2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cn2)c1 18098608 MWABZZYVYGRUED-CALCHBBNSA-N 339.395 2.620 0 50 EFAA COC(=O)CC[C@@H]1O[C@H](c2ccccc2)OC[C@H]1OC(=O)SC 43763589 DNLIELQPQCNKAD-GZBFAFLISA-N 340.397 2.922 0 50 EFAA CN(Cc1ccc2nonc2c1)Cc1nc(Cc2ccccc2)no1 96449027 IQRNUFIRRXAEAL-UHFFFAOYSA-N 335.367 2.829 0 50 EFAA Cc1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1F 91933007 XTPGVGUQBAMKRH-UHFFFAOYSA-N 348.462 2.721 0 50 EFAA CCCc1nc(C)cc(N2CCC(NCC3(O)CCCCC3)CC2)n1 96137103 ZDRCTKPPDBLEHH-UHFFFAOYSA-N 346.519 2.991 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1 237942938 ZUEWKWNSZIBSIE-AWEZNQCLSA-N 327.384 2.732 0 50 EFAA Cc1ccccc1COC1CN(C(=O)c2cccc(-n3cnnc3)c2)C1 91998041 BWVXQGVETZRJRT-UHFFFAOYSA-N 348.406 2.617 0 50 EFAA CCOCc1nc([C@@H]2CCCN(C)C2)n(CCc2ccccc2)n1 95504851 DYAJCCHVEFRANE-QGZVFWFLSA-N 328.460 2.867 0 50 EFAA CCc1cc(O)nc(CS[C@H]2CCCN(CC(F)(F)F)C2=O)n1 162380593 SEMNIQKWPWTOOX-JTQLQIEISA-N 349.378 2.531 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 95500669 VEZRKTQIUXHSHG-KBPBESRZSA-N 345.365 2.935 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCN(C)Cc3ccccc32)c1F 181061273 ANNNBDFBTPOFAH-UHFFFAOYSA-N 334.416 2.775 0 50 EFAA O=C(NC[C@H]1CCCO1)N1CCCN(CCCc2ccccc2)CC1 263677915 IIMXTDPTWSCXGW-LJQANCHMSA-N 345.487 2.516 0 50 EFAA Cc1nc2cc(NC(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)ccc2s1 299793224 HOLBIVQPBLUFJZ-MRXNPFEDSA-N 346.412 2.663 0 50 EFAA COC(=O)c1ccc(OC)c(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 299776915 IDRIEWAXVQLENP-DYEKYZERSA-N 330.384 2.816 0 50 EFAA COc1ccccc1Cc1nc([C@@H]2CCCNC2)n(-c2ccncc2)n1 824821832 AGIPVYSGXURICX-MRXNPFEDSA-N 349.438 2.729 0 50 EFAA Cc1nc2sccn2c1C(=O)Nc1cccc(C(=O)N(C)C)c1C 823639134 AGVWPBNSMMIOGN-UHFFFAOYSA-N 342.424 2.967 0 50 EFAA Cc1cc(C)cc(N2CCC(NCCN3CCCCC3=O)CC2)c1 584898920 PJEGROHDQPNOQL-UHFFFAOYSA-N 329.488 2.874 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@H](c2ncccn2)C1 1363658446 BAUSDRIJDNIZNW-JKSUJKDBSA-N 325.412 2.959 0 50 EFAA CCN1CCC(N(CCc2ccccn2)Cc2[nH]cnc2C)CC1 952869606 KBVFILHVBXFHKA-UHFFFAOYSA-N 327.476 2.642 0 50 EFAA Cc1nc(CN2CCC[C@@H](CNC(=O)c3occc3C)C2)cs1 952967351 LHKGHUHJNRRFRP-AWEZNQCLSA-N 333.457 2.995 0 50 EFAA CC(C)(C)c1ccc2cc(C(=O)NC[C@H]3CCN(C(N)=O)C3)[nH]c2c1 408522280 GRTYAYKRPMEFEP-GFCCVEGCSA-N 342.443 2.596 0 50 EFAA Brc1cnc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1 408512867 CDRKEOQMOWGWAZ-STQMWFEESA-N 345.244 2.812 0 50 EFAA CC(C)n1cc(C(=O)OC[C@@H]2CC(=O)N(c3ccccc3)C2)cn1 170605055 SIRHJDXBMMIAMY-CQSZACIVSA-N 327.384 2.674 0 50 EFAA O=C(Nc1nccn1-c1ccccc1)N[C@H]1CCO[C@H](C2CC2)C1 390832946 BNJSSOPSBDHGSB-HOCLYGCPSA-N 326.400 2.951 0 50 EFAA CC(C)Cc1ncc(CNC[C@@H]2CCO[C@H]2c2ccnn2C)s1 275527286 LOVFSZJTVWYYMF-SUMWQHHRSA-N 334.489 2.943 0 50 EFAA Cc1ccc(O)c(CN(Cc2ccccn2)[C@H]2CCCNCC2)n1 275745785 QLYSCMMAMMQWPK-KRWDZBQOSA-N 326.444 2.635 0 50 EFAA Cc1cnc(COC(=O)c2cn(-c3cccc(Cl)c3F)nn2)o1 170592018 URYGHFGNGVAHBM-UHFFFAOYSA-N 336.710 2.713 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cn12 189222350 WWFWCAWEFJLRBG-CQSZACIVSA-N 349.394 2.917 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 189491802 MPESGMNVNHVNMT-CYBMUJFWSA-N 338.415 2.596 0 50 EFAA C[C@H](Nc1cnn(CC(F)F)c1)c1nnnn1C1CCCCC1 189883174 UBKQCCXLPKOFCZ-JTQLQIEISA-N 325.367 2.813 0 50 EFAA CC(C)(C)n1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)nn1 191396520 CDRFFJBYAQGYMZ-IBGZPJMESA-N 326.444 2.707 0 50 EFAA COc1cccc2c1CCN(C(=O)CCc1ccc(C(=O)O)cc1)C2 191617499 IVYOUUJKRUIDFT-UHFFFAOYSA-N 339.391 2.911 0 50 EFAA CC(C)C(=O)NCCCNCc1c(F)cccc1Br 192652646 MCVFLVMUGKMLTK-UHFFFAOYSA-N 331.229 2.840 0 50 EFAA Cn1ccnc1NC(=O)[C@H]1CCOc2ccc(Br)cc21 650099115 ZGELUNKCDLHJKX-JTQLQIEISA-N 336.189 2.687 0 50 EFAA C[C@@H](Cc1ccsc1)NC1CCN(C(=O)c2cccnc2)CC1 1506398020 RMCNNPCWFCBJDZ-AWEZNQCLSA-N 329.469 2.969 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]2O)n[nH]1 1529119034 RMRWFJZYUKGQPC-CJNGLKHVSA-N 339.361 2.772 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H](c2ccccc2)O1 1529115047 XPWSZNWSIOAYEC-MSOLQXFVSA-N 340.423 2.624 0 50 EFAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704297007 CBNXPVBWKKIUNA-CABCVRRESA-N 347.839 2.795 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[C@H]1N 237246640 WQNZPAPYMNZGLX-DGCLKSJQSA-N 329.213 2.674 0 50 EFAA COc1cccc(CC(=O)N2CCCN(C3CCSCC3)CC2)c1 1772811221 UNWCMVRUPDKMJZ-UHFFFAOYSA-N 348.512 2.668 0 50 EFAA Cc1ncc(CN(CCO)Cc2c(C)nn(-c3ccccc3)c2C)[nH]1 1772703082 CFRVQHZCRWKGGS-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA CN(CCOc1ccccc1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12297277 CWXDULSDDIHYJN-MRXNPFEDSA-N 344.455 2.705 0 50 EFAA O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nnn[nH]2)c1 13323848 ZJIPBJDFJGTLIY-UHFFFAOYSA-N 331.738 2.840 0 50 EFAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](NCC1CC1)C3 14878608 OBZKTWRSCKSHDJ-CYBMUJFWSA-N 331.485 2.971 0 50 EFAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2ccccn2)cc1Cl 14992409 WCVXABIWUOPUQL-HOCLYGCPSA-N 343.814 2.733 0 50 EFAA CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1OC 16649220 JNYIAFZTCAWQSA-UHFFFAOYSA-N 348.424 2.636 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3c[nH]c(C)n3)C2)c(OC)c1 19227736 IUJCELFOUXHHSP-AWEZNQCLSA-N 343.427 2.830 0 50 EFAA CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)[nH]1 225414984 XUMAQQTWWPIAFW-ZJUUUORDSA-N 328.376 2.792 0 50 EFAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(OC2CCC2)cc1Cl 337739953 RDQDIIYTTPQNNX-BMIGLBTASA-N 336.819 2.668 0 50 EFAA CC(C)(O)CCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363714610 QBIIZGPTOFWDTJ-CYBMUJFWSA-N 339.867 2.627 0 50 EFAA CC[C@](NC(=O)CC1CCOCC1)(C(=O)O)c1ccc(Cl)cc1 262272900 YONCPUUOZHCSMW-QGZVFWFLSA-N 339.819 2.963 0 50 EFAA COc1ccc2onc(CC(=O)Nc3nccnc3C(C)C)c2c1 906427924 MKXXODNMTWOSLH-UHFFFAOYSA-N 326.356 2.931 0 50 EFAA Cc1ccc(F)c2oc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)cc12 829882448 VAWPRTRYNDQJGF-HUUCEWRRSA-N 333.359 2.540 0 50 EFAA C[C@@H](c1ncccn1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 929885998 BOWPJVWVHQZBQT-LBPRGKRZSA-N 345.834 2.937 0 50 EFAA CCc1c(NC(=O)N[C@H]2C[C@H](CO)C2)cnn1-c1cccc(Cl)c1 931072301 RXZBXMGAMZZBPG-AULYBMBSSA-N 348.834 2.981 0 50 EFAA COc1cccc([C@H](CC(=O)O)NC(=O)C2CC3(C2)CC3(F)F)c1 851594622 CLSUKDPFFUFMLW-ULKWEWGCSA-N 339.338 2.763 0 50 EFAA Cc1ccc([C@@H](C)NCc2ccncc2O[C@H]2CCNC2)c(C)n1 864371496 PTEQJEUCNYZXPA-PBHICJAKSA-N 326.444 2.685 0 50 EFAA CC(C)(NC(=O)c1ccccc1)c1noc(/C=C/[C@H]2CCCNC2)n1 872181185 FXXQNDKMQUESOI-PLSXKVAHSA-N 340.427 2.748 0 50 EFAA CCN1CCO[C@@H](CN[C@H](C)c2cc(C)c(C)o2)[C@@H]1c1cncn1C 952852479 BNKMPCFHHVQPFV-CCKFTAQKSA-N 346.475 2.743 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)N(CCN(C)C)c1ccccc1 1875277442 LUSOFKDFTRJTCX-UHFFFAOYSA-N 326.396 2.902 0 50 EFAA C[C@H](C(=O)N1CC[C@](O)(Cc2cccc(F)c2)C1)c1cccc(O)c1 1875271647 ACCINZZRKZWTEC-XOBRGWDASA-N 343.398 2.841 0 50 EFAA CC(C)c1cc(CN2CCC3(CC2)NC(=O)Cc2ccccc23)[nH]n1 1875319139 QKEPNKROMANEHH-UHFFFAOYSA-N 338.455 2.697 0 50 EFAA O=S(=O)(N[C@H]1CCc2c(Cl)cc(Cl)cc21)c1cn[nH]c1 1875334711 AHVXEXXEPVKPIA-LBPRGKRZSA-N 332.212 2.682 0 50 EFAA CNC(=O)c1cccc(CNC(=O)c2cc(C)cc3cccnc23)c1 1875355029 XTIJNAHJTPIAHT-UHFFFAOYSA-N 333.391 2.833 0 50 EFAA COc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c(C)c1 1875403048 PLHPUZZARYURJZ-QWHCGFSZSA-N 343.427 2.689 0 50 EFAA Cc1ccccc1[C@@H](CO)N(C)Cc1nc(O)c2sccc2n1 886435728 HLKDFXIDUJZYLB-CQSZACIVSA-N 329.425 2.871 0 50 EFAA CC[C@H](CC(=O)NS(=O)(=O)[C@H](C)C(F)(F)F)c1ccccc1 888099444 KBTLPTIPYXQSIZ-GHMZBOCLSA-N 337.363 2.967 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nc(CC(C)C)no2)C1 888102985 YDOIECUDBBDVMQ-KGLIPLIRSA-N 333.436 2.570 0 50 EFAA CC(C)C(=O)N1CCCC[C@H]1c1n[nH]cc1I 1775998749 ISQXSXCKGPZWOD-JTQLQIEISA-N 347.200 2.724 0 50 EFAA CCN1C[C@@H](C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CCC1=O 2325754190 ZNZPYVOZBYTBFA-HNNXBMFYSA-N 340.427 2.686 0 50 EFAA Cc1cnn(C2CCN(C(=O)N[C@H](C)c3cnn(C4CC4)c3)CC2)c1 2325780839 SEUUGJYSROLGDF-CQSZACIVSA-N 342.447 2.831 0 50 EFAA O=C(c1nncc2ccccc12)N1CCCN[C@H](c2ccccc2)C1 2325783310 MVUDADFLNQPKJW-SFHVURJKSA-N 332.407 2.807 0 50 EFAA O=C1CCCN1CCn1cc(NCc2c(F)ccc3[nH]ccc23)cn1 2325788500 JYLOQLRKQGIHHR-UHFFFAOYSA-N 341.390 2.738 0 50 EFAA Cc1nc(O)cc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 893056463 TYXLIYGDLRKKOG-ZDUSSCGKSA-N 337.326 2.670 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1 40571822 GHEJRDPFXDOBHB-UHFFFAOYSA-N 345.193 2.971 0 50 EFAA O=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 258618 PXYBNPFJNMXCCB-UHFFFAOYSA-N 325.773 2.517 0 50 EFAA S=C1N[C@H](c2ccccc2)N2C(=S)N[C@H](c3ccccc3)N12 1811704 LRGBKQAXMKYMHJ-KBPBESRZSA-N 326.450 2.679 0 50 EFAA COc1cnccc1C(=O)N1CCC2(CC1)OCCc1sccc12 2356143812 XJRAMQXTGJOORE-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA CC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 3124858 JQNOFJRSPKPUSV-VIFPVBQESA-N 340.663 2.805 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 3481027 RLPDLMAYHNSKHY-UHFFFAOYSA-N 332.425 2.969 0 50 EFAA COC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 4829406 GJSPQDZOTHTBRC-UHFFFAOYSA-N 337.331 2.672 0 50 EFAA Cc1oc2c(c1C(=O)Nc1ccc(F)c(F)c1)C1=NCCN1C=N2 8605977 LRSKDVKOZOSHMF-UHFFFAOYSA-N 330.294 2.854 0 50 EFAA Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1 8844253 FVZNCZBOXOCXLD-UHFFFAOYSA-N 329.425 2.688 0 50 EFAA CCN(CC)Cc1ccc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cc1 225390131 KLYDMOJUAXQUKI-INIZCTEOSA-N 344.455 2.696 0 50 EFAA O=C1NCCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccs1 225460366 QMTNEJKAJMPYED-RLFYNMQTSA-N 340.448 2.941 0 50 EFAA CN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 20117251 KFVADHNMNZMTNC-NSHDSACASA-N 328.206 2.709 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1ccc2c(c1)OCO2 55074741 ZVRUEQUIQNCCPD-INIZCTEOSA-N 342.395 2.931 0 50 EFAA CC(=O)N1CCc2ccccc2[C@@H]1Cc1nc(-c2ncoc2C)no1 351070733 RSTUBEDFCGFQJD-HNNXBMFYSA-N 338.367 2.721 0 50 EFAA C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]cc1-c1cnn(C)c1 352216052 CXODLPIRNKZEIH-NOZJJQNGSA-N 326.322 2.828 0 50 EFAA COC(=O)c1cccc(-c2nc(CN3CCCC[C@@H]3CO)cs2)c1 253425715 DRACQNOTCPBXBJ-MRXNPFEDSA-N 346.452 2.944 0 50 EFAA COc1nn(C)cc1N[C@@H](C)c1nc(O)c2c(C)c(C)sc2n1 352904080 VHWNPIAKQYXTFI-QMMMGPOBSA-N 333.417 2.929 0 50 EFAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(N2CCCC2)nn1 280613818 GARWHTNETSYCPG-HDJSIYSDSA-N 340.402 2.892 0 50 EFAA CN(C[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O 253417235 AYXOKBVSSCKVIP-CYBMUJFWSA-N 348.871 2.583 0 50 EFAA O=C(Cc1cn2ccccc2n1)N1CCOC2(CCCCCC2)C1 120116144 SNGVBTCTRLJLRR-UHFFFAOYSA-N 327.428 2.829 0 50 EFAA CN(CC(=O)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)[C@@H]1CCSC1 252510618 ASIYPAFSCHBESC-XZKMEQPCSA-N 330.497 2.516 0 50 EFAA O=C(C[C@@H]1COCCN1Cc1nc(C2CCCC2)no1)c1ccco1 120966563 UEKYBVDIYLILBG-CQSZACIVSA-N 345.399 2.794 0 50 EFAA O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-c2ncc[nH]2)c1 216378057 IBQVMULHUGDMOL-CQSZACIVSA-N 341.436 2.719 0 50 EFAA CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 4760085 FBVSXKMMQOZUNU-LLVKDONJSA-N 346.424 2.659 0 50 EFAA biogenic,in-vitro O=C(c1ccc(Cl)cc1)N1CCCN(CCCn2ccnc2)CC1 182700379 OIJINZDUNCYEJJ-UHFFFAOYSA-N 346.862 2.775 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C(=N)O)c1ccc(F)cc1 328622917 BPNPBNQMASIBEM-RRQGHBQHSA-N 346.406 2.986 0 50 EFAA CN(Cc1cccnc1)c1ncnc2c1CCN(Cc1ccco1)CC2 72432278 FEXSUBZKXCRFSR-UHFFFAOYSA-N 349.438 2.702 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 77501868 YGINFGFTYMGLSR-CYBMUJFWSA-N 333.388 2.554 0 50 EFAA COc1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)ccc1OC1CCCC1 332084380 DIOTXYSIVUAOMF-KBPBESRZSA-N 337.391 2.562 0 50 EFAA CCc1cnc(CCNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)s1 154092332 LEGZSRRGJSEVCS-HIFRSBDPSA-N 347.488 2.737 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71780067 PVBNIFGFWRTNCT-OAHLLOKOSA-N 328.387 2.999 0 50 EFAA O=C(c1cccc(CO)n1)N1CCC(Oc2ccccc2Cl)CC1 72473140 FLPHJEYJRMUPNZ-UHFFFAOYSA-N 346.814 2.911 0 50 EFAA O=C(c1ccn2nnnc2c1)N1CCC[C@H](CCc2ccccc2)C1 71756973 HOUZWMPOBYNNQX-MRXNPFEDSA-N 335.411 2.609 0 50 EFAA Cn1nnc2cc(CN3CCO[C@@]4(CCc5ccccc54)C3)ccc21 337995222 LHSFNHFJWIWJNQ-FQEVSTJZSA-N 334.423 2.642 0 50 EFAA O=C(NC[C@H](O)C1CCCCC1)c1ccc(-c2nnc(S)o2)cc1 127966199 NCGGAACLUWRQRG-AWEZNQCLSA-N 347.440 2.696 0 50 EFAA Cc1noc2ncnc(N3CCn4c(C5CCCC5)nnc4[C@@H]3C)c12 377176322 BBFLOOOOAZDBTA-NSHDSACASA-N 339.403 2.757 0 50 EFAA C[C@@](CC(=O)O)(NC(=O)c1ccnc(C2CC2)n1)c1cccc(F)c1 449004095 QHLZWWCREDMUCJ-SFHVURJKSA-N 343.358 2.613 0 50 EFAA CCNc1nc(C)c(C(=O)N[C@@H](CC)c2cn3cccnc3n2)s1 215082822 DDRBISAZBXJCGE-NSHDSACASA-N 344.444 2.807 0 50 EFAA CSC[C@@H]1CCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 157273157 XPWWHSZCNRALSY-VIFPVBQESA-N 325.434 2.958 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)oc2c1 72160878 QODZANVURGKMBG-GOSISDBHSA-N 328.368 2.716 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 238014791 ZBBPTTGQTIAOHY-QZTJIDSGSA-N 344.455 2.754 0 50 EFAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F 132163617 ODUSMZGFXMYCJF-GXSJLCMTSA-N 335.297 2.768 0 50 EFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccccc1C(F)(F)F 262912062 JPTCANFBMOAQOQ-LBPRGKRZSA-N 345.317 2.563 0 50 EFAA COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccnn2-c2cccc(F)c2)CC1 239636969 BHVYXEHFQVLBCF-JOCQHMNTSA-N 345.374 2.929 0 50 EFAA CC(C)C[C@H](C(=O)N1CCC[C@H](C)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 240454660 FXXCISPQUQPZQI-YLFCFFPRSA-N 346.471 2.611 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2ncc(-c3ccccc3)o2)C1 284734412 XIJKPPGDJDKYEU-CABCVRRESA-N 339.399 2.730 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccn(C(F)F)n3)[C@@H](C)C2)cc1 82108458 UAMSHYZEGHSDRE-ZDUSSCGKSA-N 334.370 2.938 0 50 EFAA CCN1CCc2ncnc(N3C[C@@H](C)O[C@H](c4ccccc4)C3)c2C1 225216745 ODZIACOMQMCTPF-BEFAXECRSA-N 338.455 2.821 0 50 EFAA CCCc1cc(C(=O)NCc2nc(C3CCCCC3)no2)n(C)n1 82106565 MOOPUXFVKHMFSE-UHFFFAOYSA-N 331.420 2.733 0 50 EFAA C[C@H]1[C@H](NCc2csnn2)[C@H](C)CCN1C(=O)OC(C)(C)C 497173646 WECAEPYOHMUJIH-NTZNESFSSA-N 326.466 2.662 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cn1 82107180 BGKBVSXFHKPFBX-AWEZNQCLSA-N 335.411 2.990 0 50 EFAA CCn1c(C)cc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c1C 220454896 WUGVLAOSYOFINH-ZIFCJYIRSA-N 341.455 2.632 0 50 EFAA O=C(CCSCc1ccccc1)N1CCC(N2CCCC2=O)CC1 221171367 YHKYSUSYMSDIFS-UHFFFAOYSA-N 346.496 2.923 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(CCSc3ccccc3)C2)n1 426580945 JIGPFJHSFRLWKO-HNNXBMFYSA-N 345.468 2.939 0 50 EFAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)C1CCCCC1 220128211 MESCSRHLYLLNFS-IAGOWNOFSA-N 336.432 2.662 0 50 EFAA COc1ccc2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)n(C)c2c1 426509993 GLPFEYLNQAEZSH-UHFFFAOYSA-N 338.411 2.930 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)c(-c2ccccc2)n1 426634184 LVMZFNUYLBYXSZ-INIZCTEOSA-N 348.410 2.856 0 50 EFAA COc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)o1 223224956 ZQQUJTDUPKEGMY-UHFFFAOYSA-N 342.395 2.844 0 50 EFAA O=Cc1cc(OC(F)(F)F)cc(I)c1O 147799589 KUVGGCSYLYHROK-UHFFFAOYSA-N 332.015 2.708 0 50 EFAA CN1CC[C@@H](CNC(=O)c2cccc(-c3ncn[nH]3)c2)c2ccccc21 161901076 LQDRGOPIVZNWQA-INIZCTEOSA-N 347.422 2.825 0 50 EFAA CCSc1ccccc1N1CCN(CCCNC(=O)OC)CC1 96026651 DFRXWXYXBCBLDZ-UHFFFAOYSA-N 337.489 2.667 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 95363064 VTZUWYCZSGTNDC-OAHLLOKOSA-N 342.443 2.700 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@H]2Cc3ccccc3CN2C)on1 95386761 MRLUVIHKHZKVRR-GOSISDBHSA-N 327.428 2.546 0 50 EFAA CSCc1noc([C@@H]2CCC(=O)N(CCc3ccccc3)C2)n1 91304228 XETKJJNXRXANNB-CQSZACIVSA-N 331.441 2.881 0 50 EFAA Cc1cc(C)n(CCCN(C)C(=O)[C@H]2COc3ccccc3C2)n1 91440135 GVOCWQONJJDRJZ-QGZVFWFLSA-N 327.428 2.600 0 50 EFAA CN(C(=O)[C@@H](c1cccnc1)N1CCCC1)C1Cc2ccccc2C1 95529636 MINROTBXHUHZOL-HXUWFJFHSA-N 335.451 2.844 0 50 EFAA Cn1cc(C(=O)NCCCOC2CCCC2)c(=O)c2ccccc21 97594828 TUGKQHJLQQLHJY-UHFFFAOYSA-N 328.412 2.618 0 50 EFAA Cc1ccc([C@@H](C(=O)O)N2CCN(C3CCCCC3)C(=O)C2)c(C)c1 95355112 PUJDOPJITDQTAX-IBGZPJMESA-N 344.455 2.906 0 50 EFAA COCCN(Cc1ccc(C)cc1)C(=O)c1c(C)nc2ncccn12 97463696 JLKPHRJGJVGCPD-UHFFFAOYSA-N 338.411 2.635 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccc(C)cc1 239174510 QDXLVRQIJGHQQG-XJNFMUPTSA-N 330.380 2.556 0 50 EFAA aggregator CCCc1nc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H](N)C2)cs1 91915196 RBZJIAYGGQXPEZ-CABCVRRESA-N 345.468 2.671 0 50 EFAA Cc1ccc([C@@H](C)CNC(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1 267592283 JRPYSXVEVRFKJG-YJBOKZPZSA-N 342.443 2.615 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(CO)o2)C1 95352752 YOSYKHNUUZBGFX-CQSZACIVSA-N 331.416 2.788 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 91877091 ZQYGFZHMOJVSFY-INIZCTEOSA-N 329.799 2.730 0 50 EFAA CSCC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)C(=O)O 244685629 ITQZAGBYZCMAIH-HNNXBMFYSA-N 336.457 2.613 0 50 EFAA Cc1cccc([C@@H](NC(=O)c2c(C)[nH]c(C(=O)O)c2C)C2CC2)n1 299791083 DFJBTHFXQGCYKW-INIZCTEOSA-N 327.384 2.914 0 50 EFAA Cc1ccc(NC(C)(C)C(=O)NCCCN2CCCC[C@H]2CO)cc1 828710758 BKJDCSIBYDMNPH-SFHVURJKSA-N 347.503 2.539 0 50 EFAA O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cocn1 979602416 PGMHFFUJQLJPKS-IXDOHACOSA-N 325.412 2.705 0 50 EFAA NC(=O)c1cccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)c1 272521731 JASBZYFQXPNNEA-AWEZNQCLSA-N 339.395 2.718 0 50 EFAA CN(C)C(=O)c1cnc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(Cl)c1 273277841 IPMBQNITPYVPQE-TZMCWYRMSA-N 339.867 2.670 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)CCCc2cccs2)CCO1 276333626 PZFQVAJPKOXATM-CJNGLKHVSA-N 333.457 2.841 0 50 EFAA Cc1c([C@@H](C)NC(=O)CNC[C@H]2CCCO2)oc2ccc(F)cc12 170048844 UFFNHPCFCNLDJQ-TZMCWYRMSA-N 334.391 2.826 0 50 EFAA CCNC(=O)c1cccc(C)c1OCc1nnc2n1CCCCC2 278733595 USQSKPAEXULZPZ-UHFFFAOYSA-N 328.416 2.642 0 50 EFAA CCc1ccccc1S(=O)(=O)Nc1nnc(CCc2ccco2)[nH]1 170617333 LFQRFAOGMRFMNF-UHFFFAOYSA-N 346.412 2.546 0 50 EFAA CC(C)(C)CS(=O)(=O)NC(=O)[C@@H]1SCCc2ccccc21 170645737 VWOVOBVWQRYKCF-CYBMUJFWSA-N 327.471 2.509 0 50 EFAA Cc1nc2c(c(NCc3ccc(S(C)(=O)=O)cc3)n1)CCCC2 302042465 IVUCNJFGIUHJOA-UHFFFAOYSA-N 331.441 2.679 0 50 EFAA O=C(O)[C@@H](N[C@H]1CCOc2c(Br)cccc21)C1CC1 635014974 AZAHYHXAAXUMDK-RYUDHWBXSA-N 326.190 2.726 0 50 EFAA CC(C)C[C@@]1(CO)CCCN1C(=O)Nc1ccc(-n2cccn2)nc1 189547725 XCTDCHJIRKMUIH-GOSISDBHSA-N 343.431 2.672 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)c1cccnc1)CCO2 192362938 LUCXAQGRIYMVQM-ZDUSSCGKSA-N 340.379 2.787 0 50 EFAA Cc1ccc([C@@H]2C[C@H]2NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 648517243 VUVQGYLOZOHIJE-LESCRADOSA-N 336.391 2.757 0 50 EFAA Cn1cnnc1CCNC(=O)[C@](C)(Nc1ccccc1)c1ccccc1 1506402519 NZUJAVBYTGRDGG-HXUWFJFHSA-N 349.438 2.501 0 50 EFAA O=C(c1ccccc1F)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212576242 GUZSKLMMETVCOM-CJNGLKHVSA-N 343.354 2.545 0 50 EFAA Cc1ccc(C(=O)O)c(N2CC[C@H]3[C@H](CCC(=O)N3CC(C)C)C2)n1 215610078 YNKSGEAFAUEKLI-ZBFHGGJFSA-N 345.443 2.562 0 50 EFAA COc1ccc(C)cc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 220043708 HVGSOHBPKKXHGB-IRXDYDNUSA-N 328.456 2.950 0 50 EFAA COc1cc(-c2onc(N[C@@H]3CCCN(C)C3)c2C(=O)O)ccc1F 1704311322 FKMNZXPXVRREPS-LLVKDONJSA-N 349.362 2.694 0 50 EFAA O=C(CSc1nccc(=O)[nH]1)Nc1cc(Cl)ccc1Cl 18175842 OMDXANYRWMPXNE-UHFFFAOYSA-N 330.196 2.808 0 50 EFAA O=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1Cl 5063956 HMMYMBNKJQTIGS-UHFFFAOYSA-N 347.625 2.951 0 50 EFAA O=C(N[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl 12057075 LDKAZNRXQVUJIX-NSHDSACASA-N 334.782 2.668 0 50 EFAA CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 13717717 QTNHQVVXZQKLBF-UHFFFAOYSA-N 339.399 2.963 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)on1 16648310 JLXOAGDMYCJSEC-UHFFFAOYSA-N 347.190 2.555 0 50 EFAA CN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 19008950 ORFYAJXZFAWKIS-UHFFFAOYSA-N 344.436 2.748 0 50 EFAA O=C(c1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19774010 QWEXXKPRSUDXFP-UHFFFAOYSA-N 342.370 2.512 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1c(Cl)cccc1Cl 19834102 QYSDVZRMEWGEJL-UHFFFAOYSA-N 332.231 2.837 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C 206246334 FSGRWDQHJUWKIC-GFCCVEGCSA-N 346.394 2.849 0 50 EFAA Cc1noc([C@@H]2CN(CC[C@H]3C[C@@H]3c3ccccc3)CCN2C)n1 1857531952 PSPYJIJGRPDEII-KSZLIROESA-N 326.444 2.860 0 50 EFAA N=c1[nH]c2cc(C(=O)NCc3ccc4c(c3)CCO4)ccc2s1 1857718272 QZYMZABSUFMXMG-UHFFFAOYSA-N 325.393 2.574 0 50 EFAA CCc1ccccc1NC(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857728094 NIEAYFCXLCVQQG-IXIUHKBRSA-N 343.471 2.822 0 50 EFAA COc1cc(C(=O)NC[C@H]2NCCc3ccccc32)ccc1Cl 423665388 HJBBVUQXOMZAEV-MRXNPFEDSA-N 330.815 2.965 0 50 EFAA O=C(Cc1ccoc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 120678392 NQLKDORFQNNWBF-UHFFFAOYSA-N 346.814 2.850 0 50 EFAA CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2o1 121392734 NMLDMUZVPKYRJM-GFCCVEGCSA-N 327.384 2.582 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccc3ncccc3c2)CCO1 328625732 KYLNJRHMHICVLE-CRAIPNDOSA-N 336.395 2.618 0 50 EFAA COc1ccc(Cl)c(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 345795564 HQLVQPNUZXICMH-UAGQMJEPSA-N 325.836 2.710 0 50 EFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCC(OC(=O)N(C)C)CC3)cc12 496154164 IWPHFBCRZLIQHJ-UHFFFAOYSA-N 347.390 2.918 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1F 264407609 YBUBEPWMPDYETJ-SJORKVTESA-N 335.375 2.577 0 50 EFAA O=C(N[C@H]1CCOC2(CC(C(=O)O)C2)C1)c1cccc2ccccc12 910619099 SVGJYHMUIMFZAN-CHWWFWEZSA-N 339.391 2.982 0 50 EFAA COc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)ncn1 931901248 IQCCOFBTWRGRRQ-ZDUSSCGKSA-N 325.290 2.861 0 50 EFAA CCN1CCN(CCOc2ccc(C)cc2Br)CC1 20406405 IQOWIXKJSJJKBD-UHFFFAOYSA-N 327.266 2.774 0 50 EFAA CC(C)S(=O)(=O)CCCn1cc(Cl)c2sccc2c1=O 1875278987 DAISYZVKJSKFRH-UHFFFAOYSA-N 333.862 2.930 0 50 EFAA O=C(CCc1cccc(OC(F)F)c1)N1CC[C@H](c2cc[nH]n2)C1 1875273480 AKNBOHQOGOWQPA-ZDUSSCGKSA-N 335.354 2.960 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOc4cc(F)ccc4C3)n[nH]c21 1875395230 SABYMYMYOZNTDA-MNOVXSKESA-N 345.374 2.606 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2OCC2CC2)nn1 888078729 QTCIKCOJWBMAKN-INIZCTEOSA-N 338.411 2.825 0 50 EFAA O=C(C[C@H]1CCCOC1)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 891292286 JSRMCIOUCRALET-OAHLLOKOSA-N 344.386 2.791 0 50 EFAA Cn1cnc(CNC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c1 893190104 VUPDBAMXTYOUPO-CYBMUJFWSA-N 347.850 2.542 0 50 EFAA Cc1noc(Cl)c1CC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 1775957150 GATDBAWFTANSFK-DZGCQCFKSA-N 335.791 2.563 0 50 EFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OCC)c1 12411470 XHIRDPCJQPPBDM-MQDFFIGUSA-N 346.383 2.538 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)O 16622606 IJOQKDLTVAQRAO-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA CC[C@H](C(=O)N1CCC[C@@H]1c1cccc(OC)c1)N1CCCC1=O 2325768078 BOZVOWIKCBMUAX-IAGOWNOFSA-N 330.428 2.760 0 50 EFAA O=C(N[C@@H]1CCC[C@H]1c1nn[nH]n1)c1ccccc1SC(F)F 2325809023 WJAOBXRAYXQBSR-PSASIEDQSA-N 339.371 2.581 0 50 EFAA Cc1noc(C)c1S(=O)(=O)NCc1noc(-c2ccccc2)c1C 2325812323 HLSJBQIRPWOMKN-UHFFFAOYSA-N 347.396 2.733 0 50 EFAA NCCn1cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cn1 2325859343 WGGXKXLOYXVMSR-SFHVURJKSA-N 332.407 2.634 0 50 EFAA Cc1cc(Cl)ccc1NC(=O)Cn1cnc2ccccc2c1=O 104791 UOFKDLBRMIMFKE-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 2860343 KUWAGRBBLWLUPS-UHFFFAOYSA-N 326.396 2.609 0 50 EFAA CCCCOc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 6697908 DBEUVJJVVZQSQY-UHFFFAOYSA-N 348.424 2.765 0 50 EFAA CCN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 10461676 AJPUGXGRVHKVJS-UHFFFAOYSA-N 337.423 2.717 0 50 EFAA C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 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O[C@H](C[C@@H]1CCCCCN1c1nccn2cnnc12)c1ccco1 253423034 BGUXPHXLMCTCOL-UONOGXRCSA-N 327.388 2.590 0 50 EFAA Fc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)ncn2)c1 253417817 JAVFFCQSJABGBF-INIZCTEOSA-N 328.391 2.794 0 50 EFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(N(C)C)c2)on1 331784586 FRXVVMTVOZFFAO-HNNXBMFYSA-N 335.429 2.575 0 50 EFAA COc1ccccc1OC1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 77341021 CCXDLFIVIWEXRS-HNNXBMFYSA-N 343.427 2.913 0 50 EFAA COc1cc(C(=O)N2CCNC[C@H]2C)cc(Cl)c1OC(C)C 124953651 SERVAAFDOFSSKC-LLVKDONJSA-N 326.824 2.570 0 50 EFAA CC(C)Cc1noc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1 39436751 OWMGWVUIFGVBEN-UHFFFAOYSA-N 344.415 2.673 0 50 EFAA C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282073918 QQUFMLSTMWJPKZ-IAOVAPTHSA-N 333.453 2.514 0 50 EFAA CCOC(=O)[C@H]1CCCN1C(=O)c1cccc([C@H]2CCCOC2)c1 362040189 VKYIPAGBBUGNGF-DLBZAZTESA-N 331.412 2.748 0 50 EFAA Cc1cccnc1CCNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 333054417 CEDKOFJLQRMWRV-IRXDYDNUSA-N 329.444 2.676 0 50 EFAA C[C@@H](C(=O)Nc1nccs1)N1CCC2(CC1)OCc1ccccc12 378133106 LRUDZCBIHLYXKQ-ZDUSSCGKSA-N 343.452 2.992 0 50 EFAA CCn1c(C(=O)N(CCC(=O)O)C2CCOCC2)cc2ccccc21 237196907 VGSVFXAZLIEQCP-UHFFFAOYSA-N 344.411 2.757 0 50 EFAA CC(C)(C)OC(=O)c1cnc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cn1 456240091 CKBIVCILXADKBO-BBRMVZONSA-N 343.427 2.693 0 50 EFAA CCN1CC[C@H](N(C)C(=O)Nc2c[nH]nc2-c2nccs2)[C@H](C)C1 333617974 HXUXCYDKVBKMAX-YPMHNXCESA-N 348.476 2.727 0 50 EFAA O=C(Nc1cc2c(cc1Cl)OCCO2)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 333855293 QHLKTCJKWCRADG-DMTCVQMQSA-N 348.786 2.528 0 50 EFAA CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2cnn(C)c2)o1 131983374 XDRWITWYTPVCLC-IUODEOHRSA-N 344.415 2.514 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 368832117 BRLBTUXFEBYZQA-CYBMUJFWSA-N 340.383 2.599 0 50 EFAA CC[C@@H](NC(=O)CN(C)Cc1ccncc1)c1nc(C)c(C)s1 219138495 VBARRKMOAUXXAX-OAHLLOKOSA-N 332.473 2.854 0 50 EFAA Cc1cc(Br)cc(C(=O)NCC[C@H](C)[S@@](C)=O)c1 129533100 MUSJFBFMJZTMAN-YPMLDQLKSA-N 332.263 2.644 0 50 EFAA Cc1nc(N2CCC[C@@H](OCc3ccccn3)C2)c2c(C)noc2n1 77391718 WZOWNIWXOISWEK-OAHLLOKOSA-N 339.399 2.815 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1c[nH]nc1-c1ccccc1 77504972 NGCNBXLVQMIQMJ-INIZCTEOSA-N 340.427 2.550 0 50 EFAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(C(=O)N2CCCCC2)CC1 77389913 BXZAXKIRUWQCMG-NJAFHUGGSA-N 330.472 2.840 0 50 EFAA C[C@@H](O)C[C@@H]1COCCN1C(=O)Nc1ccc2c3c(cccc13)CC2 158122584 DEBURYQKMRZWIU-CZUORRHYSA-N 340.423 2.942 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCO[C@@H](c2nccs2)C1 174768034 KBIIIBFTOCCCPQ-GFCCVEGCSA-N 347.421 2.787 0 50 EFAA O=C(c1cccc2ccnn12)N(Cc1ccccn1)C[C@@H]1CCCO1 72148827 FGCWSYZRGLWWRC-KRWDZBQOSA-N 336.395 2.551 0 50 EFAA Cc1ncc(C(=O)NC[C@@H](C(=O)O)c2ccccc2)c(C(C)C)n1 263244550 FVDJFSWKKFFASP-CQSZACIVSA-N 327.384 2.507 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)CCc3ccc(N(C)C)cc3)C2)n1 222545008 CBHBNVKFRRVGOG-UHFFFAOYSA-N 326.444 2.582 0 50 EFAA Cc1ncc2n1CC[C@H](C(=O)N1CCc3c(Cl)cccc3C1)C2 290147481 VNHVJHKSRPVXJK-ZDUSSCGKSA-N 329.831 2.992 0 50 EFAA CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)n(C)n1 82138602 KUKNZZKMBHMRBV-MRXNPFEDSA-N 329.448 2.654 0 50 EFAA CSc1ncccc1C(=O)N(C)Cc1nc(-c2ccccn2)no1 82114433 UAXVGFUHSWIHIE-UHFFFAOYSA-N 341.396 2.521 0 50 EFAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 426701601 MHWCQJJBXHREST-MRXNPFEDSA-N 338.411 2.829 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1 91380656 FQNRQHOVVUAOMV-RBUKOAKNSA-N 340.467 2.787 0 50 EFAA COCCc1nc2ccc(C(=O)N[C@H]3COc4ccccc43)cc2o1 95522195 DNEXLPDRVVXIJO-HNNXBMFYSA-N 338.363 2.880 0 50 EFAA COCCOC1CCN([C@@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95389305 UHFSGCXYTAVRAO-OAHLLOKOSA-N 345.798 2.732 0 50 EFAA Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN[C@H](C)C2)cc1 237589714 ZYNACWISOPWWOP-CYBMUJFWSA-N 329.469 2.790 0 50 EFAA O=C(NCCCN1CCC[C@@H](CO)C1)Nc1cc(F)cc(Cl)c1 97575020 GVUMBXCGQZIODO-GFCCVEGCSA-N 343.830 2.695 0 50 EFAA CCCc1cc(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2)n(C)n1 95388271 OAVYFGHKJLSMTD-CQSZACIVSA-N 335.791 2.582 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)NC[C@H]3CCCOC3)cc2C)c1 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DHMDCNLGRNKUSY-MRXNPFEDSA-N 344.386 2.921 0 50 EFAA CC(C)(C)c1ccc2cc(C(=O)NC[C@@H]3CCN(C(N)=O)C3)[nH]c2c1 408522281 GRTYAYKRPMEFEP-LBPRGKRZSA-N 342.443 2.596 0 50 EFAA COc1ccc(-n2nc(C(=O)N3CC[C@@H]3C(F)(F)F)cc2C)cc1 408517602 NJXIIHZZFKNOGX-CQSZACIVSA-N 339.317 2.966 0 50 EFAA CC(C)(C)[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CCO1 279736630 KCTHHJBNLREGKV-MRXNPFEDSA-N 348.468 2.812 0 50 EFAA CCc1ncnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1F 271216175 UFEWYQMSLBEXFU-ZDUSSCGKSA-N 343.406 2.737 0 50 EFAA Cc1csc([C@H](C)CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 186789596 NYFIGYDYMHAOOB-WKPIXPDZSA-N 331.441 2.513 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)s1 408172140 SDKJEGJYFOBZQZ-IAQYHMDHSA-N 343.470 2.736 0 50 EFAA Cc1nnc(S)n1CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 170644542 JQOFXPJTFSPHLE-DWLODGJJSA-N 348.516 2.988 0 50 EFAA COC(=O)Nc1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1 170628143 UDWWILJKLAYHOT-INIZCTEOSA-N 346.431 2.957 0 50 EFAA COC(=O)c1cnc(N(C)C(=O)c2c(F)ccc(F)c2F)s1 170600177 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Cn1ccnc1[C@H]1C[C@H](N=c2nc(C3CCCC3)[nH]s2)CCO1 333742108 XSOVDUYCTDSUDZ-CHWSQXEVSA-N 333.461 2.683 0 50 EFAA Cc1ccncc1C(=O)N1CCC(n2cc(Br)cn2)CC1 332451831 MEOURLURJCBSSE-UHFFFAOYSA-N 349.232 2.826 0 50 EFAA Cc1ccc(C[C@@H](CO)CNC(=O)COc2cccc(C)c2)cc1 240444276 FXDQETBGPGGPHP-GOSISDBHSA-N 327.424 2.650 0 50 EFAA COc1cc(CC2CN(C(=O)c3cnc(C)s3)C2)cc(OC)c1 241965500 UTIPMPLAOBTUJI-UHFFFAOYSA-N 332.425 2.783 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cnn(C)c2C)C(F)F)cc1F 242324359 ZAPDUVMLBBAJDU-CYBMUJFWSA-N 327.306 2.612 0 50 EFAA CCCOc1cc(C)ccc1CNC(=O)c1cc(=O)c(OC)co1 252497396 QGCBINGSYPHEKR-UHFFFAOYSA-N 331.368 2.676 0 50 EFAA CCC1(CC)CN(C(=O)c2cnc(C(=O)O)cn2)c2ccccc21 263277035 NOJXCQKYEFMTDS-UHFFFAOYSA-N 325.368 2.893 0 50 EFAA COc1cccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1N 386504645 LPQPNNLVIATKAV-INIZCTEOSA-N 339.439 2.624 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)CC[S@@](C)=O 266773577 SQGARLLEKIONFX-MLMJSJRWSA-N 340.470 2.527 0 50 EFAA O=C(O)C[C@H]1CCCN1Cc1c(Cl)cccc1N1CCOCC1 902010231 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2.682 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2c(Cl)cncc2Cl)C[C@H]1O 2100477166 LJJGTIFTVAJLIH-HIFRSBDPSA-N 347.242 2.826 0 50 EFAA O=C(O)[C@H](O)C1CCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 2325787545 GQFYRNVTLNRNGB-GOSISDBHSA-N 344.386 2.545 0 50 EFAA CN1CCC([C@@](C)(O)CNCc2c(F)cccc2N2CCCC2)CC1 2325789844 RQCYDAMTBRUEBC-FQEVSTJZSA-N 349.494 2.608 0 50 EFAA CC[C@H](C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1nn[nH]n1 2325808281 MOPXEPLFIZRUCK-FUHWJXTLSA-N 347.422 2.868 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@@]3(C(=O)O)C[C@H]3c3ccccc3)cn12 907814657 QTDNPEILFIPYQB-OXJNMPFZSA-N 349.390 2.517 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 264009 KPGNSFQMOGBEIJ-UHFFFAOYSA-N 346.452 2.515 0 50 EFAA O=C(NCc1ccco1)c1ccccc1I 288525 HJQHHNOBKKCYII-UHFFFAOYSA-N 327.121 2.814 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1F 467350 WPVYBASBFSQWCL-UHFFFAOYSA-N 333.315 2.882 0 50 EFAA Cc1noc(-c2ccnc(N3CCC[C@]4(CCc5c[nH]nc54)C3)c2)n1 2356149412 YZJSWZFHZFFDJF-SFHVURJKSA-N 336.399 2.648 0 50 EFAA CCSCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C 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325.416 2.506 0 50 EFAA COc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 65362144 TVMATWWLNKFLPL-UHFFFAOYSA-N 348.424 2.652 0 50 EFAA COc1ccc(OCc2cc(C(=O)N3CC=CC3)n[nH]2)c(Cl)c1 67954778 PIWBWSBQTQUBEM-UHFFFAOYSA-N 333.775 2.663 0 50 EFAA c1ccc([C@@H]2CCCN2Cc2cnc(N3CCOCC3)s2)nc1 215446783 VXVBIKZOIRJETQ-INIZCTEOSA-N 330.457 2.712 0 50 EFAA COCCOCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67192874 QSWQTLHCVIPQAJ-AWEZNQCLSA-N 348.226 2.556 0 50 EFAA O=C(N[C@H](c1ccccc1)C(F)F)c1cc(Cn2cccn2)on1 351513054 RGVPBORUKOXUPZ-CQSZACIVSA-N 332.310 2.656 0 50 EFAA Cc1ccncc1CN(C)C(=O)[C@H]1CCCCN1C(=O)c1ccco1 328594652 BOPBHJKFMNXUAY-MRXNPFEDSA-N 341.411 2.636 0 50 EFAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cnccn2)C1 12001550 OYNKTBNTKSKQNX-LJQANCHMSA-N 338.455 2.532 0 50 EFAA COC(=O)CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67908510 FPAUGJMTWLDNNB-UHFFFAOYSA-N 327.380 2.735 0 50 EFAA O=C1C[C@@H](c2ccc(-c3cc[nH]n3)o2)c2c(-c3ccccn3)n[nH]c2N1 67847502 XPJCTVVSLZPSLU-JTQLQIEISA-N 346.350 2.929 0 50 EFAA CC(C)N1CCCn2nc(C(=O)N(C)CCC[C@@H]3CCCO3)cc2C1 65417672 RRIFGSMTHSFNFJ-QGZVFWFLSA-N 348.491 2.528 0 50 EFAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1ccc(F)cc1 2804270 UZPDQCPCOIMNRD-UHFFFAOYSA-N 333.335 2.513 0 50 EFAA COC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CCCCC1 4050382 QBVUVDNPXDPDGC-UHFFFAOYSA-N 346.408 2.521 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)CCc3ccc(Cl)s3)CCO2)o1 328609132 CIHXGFGFRCBNJT-LLVKDONJSA-N 341.820 2.626 0 50 EFAA Cc1cnn([C@H](C)[C@@H](C)N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 229570066 BOWRKDUWJXKKTD-IIDMSEBBSA-N 326.444 2.751 0 50 EFAA O=C1CCCCCN1CCC(=O)N1CCC(c2ccncc2)CC1 77535509 IESIRTUUKJOMGY-UHFFFAOYSA-N 329.444 2.580 0 50 EFAA COc1cccc(OC)c1C(=O)N[C@@H]1CC(=O)Nc2ccccc21 219684752 YQSYMOJADMNQAE-CYBMUJFWSA-N 326.352 2.517 0 50 EFAA Cc1cc2c(NC[C@@H]3CCO[C@H]3c3ccnn3C)ncnc2s1 328628121 NINVRDYZQAJVRU-SMDDNHRTSA-N 329.429 2.923 0 50 EFAA Cn1c(CCNC(=O)c2ccc(F)cc2F)nnc1-c1ccccc1 361533862 RVGUAPWVDHEQOH-UHFFFAOYSA-N 342.349 2.733 0 50 EFAA C[C@H]1CC[C@H](C)N1CCN1CCN(Cc2ccc(F)c(F)c2)CC1 154034741 NNRBATICDRCJAD-HOTGVXAUSA-N 337.458 2.955 0 50 EFAA CNc1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1 327333961 DUFNPSWARXEYAR-UHFFFAOYSA-N 335.363 2.935 0 50 EFAA C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](F)C[C@H]4CO)cc3c2C1 368419880 PBWYDLDPKCTLHQ-XBFCOCLRSA-N 330.403 2.838 0 50 EFAA C[S@@](=O)c1ccc(CC(=O)N2CCOc3c(F)cccc3C2)cc1 369713439 URXCYIINMDDMFO-XMMPIXPASA-N 347.411 2.527 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCCn4cncc4C3)cc2)n1 77297983 CPNVSPZERITHQH-UHFFFAOYSA-N 335.411 2.732 0 50 EFAA Cc1nn(CCO)cc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 72408626 UBBIINRBLDNBMH-UHFFFAOYSA-N 344.846 2.877 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCn4nc(C)cc4C3)cc2)n1 72411197 RWIVCDKOHJDJQN-UHFFFAOYSA-N 349.438 2.709 0 50 EFAA CN1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)OC1=O 77407471 GUIDXMMPQFNNRS-UHFFFAOYSA-N 342.439 2.942 0 50 EFAA Cn1nc(-c2ccccc2)c2cc(C(=O)N[C@H]3CC[C@H]3N)sc21 72156527 CSQKTGJBJRHWMZ-OLZOCXBDSA-N 326.425 2.521 0 50 EFAA Cc1cc2cccc(C(=O)N3CCC(N4CCC[C@@H](O)C4)CC3)c2o1 72137246 AGIGMHWLZUQOHS-QGZVFWFLSA-N 342.439 2.803 0 50 EFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccccc1Cn1cncn1 377583797 NIHAWQOTQHIJGE-SCLBCKFNSA-N 349.394 2.970 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)nc(N)nc2C)c1 77378365 SYFPLWHLEZHAEG-KRWDZBQOSA-N 340.427 2.590 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NCCCNc2ccc(C)cn2)c1C 219305535 TXURPTCVAHMZEY-UHFFFAOYSA-N 328.416 2.770 0 50 EFAA Cn1c(CN2CC[C@@](O)(CN3CCCCC3)C2)cc2ccccc21 77470052 CTOJFVZSMPMTPH-HXUWFJFHSA-N 327.472 2.601 0 50 EFAA CCOCCOc1ccccc1C(=O)N1CCO[C@H](C(F)(F)F)C1 71753907 XSTMMRYTGDMCIS-AWEZNQCLSA-N 347.333 2.505 0 50 EFAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]1C(=O)O 237594759 HYUJXQUKTQGUGU-JSGCOSHPSA-N 330.384 2.501 0 50 EFAA Cn1cc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c2ccccc21 237763240 KLEWKPSXMZVMCM-CQSZACIVSA-N 328.412 2.824 0 50 EFAA C[C@@H]1COCCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 240412711 FNVHDIYXAORBGE-IJEWVQPXSA-N 337.489 2.561 0 50 EFAA COC(=O)[C@@H]1CC12CCN(C(=O)Nc1ccc3nc(C)oc3c1)CC2 240471662 GDPJTDOLPDVNMD-ZDUSSCGKSA-N 343.383 2.943 0 50 EFAA COC(=O)c1coc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 241630846 PLVJHCJXXKKBIZ-QGZVFWFLSA-N 343.379 2.652 0 50 EFAA Cn1nccc1CNC(=O)Nc1ccnc(OCc2ccccc2)c1 337622397 HFZHRYGVVRDGIP-UHFFFAOYSA-N 337.383 2.716 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2cccc(Cl)c2)n1 82230459 ATEDHVHIKSAQIJ-UHFFFAOYSA-N 333.823 2.712 0 50 EFAA COc1cc(OC)c(CN2CCC[C@@H]2c2cnn(C)c2)c(OC)c1 131922551 AHNYCGIRYFVRJV-MRXNPFEDSA-N 331.416 2.783 0 50 EFAA C[C@@](O)(C(=O)N(Cc1ccc(F)cc1)CC1CC1)C1CCOCC1 340399351 DKNBXZSYWOXWKD-IBGZPJMESA-N 335.419 2.742 0 50 EFAA CN1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2cccs2)C1=O 135630373 XMMQNOUKFCYDCF-MELADBBJSA-N 348.811 2.878 0 50 EFAA O=C1CC[C@@]2(CCCN(C3CCCC3)C2)CN1CCc1c[nH]cn1 82106116 KARKCHUJDQRTLA-LJQANCHMSA-N 330.476 2.599 0 50 EFAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)cc1O 91550889 FLXKQISMFBKTBI-JKSUJKDBSA-N 345.370 2.840 0 50 EFAA Cc1cc(N2C[C@H]3CCC[C@@]3(CO)C2)nc(-c2ccccc2O)n1 91468441 MQXZUMQMHDFDMD-KUHUBIRLSA-N 325.412 2.756 0 50 EFAA C[C@@H](CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1)N1CCCC1 426496633 DWHRTZAKBBSOHC-AWEZNQCLSA-N 326.444 2.753 0 50 EFAA Cc1ccc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c(C)c1 426412268 KXFSGJCIBXVSIE-QGZVFWFLSA-N 327.428 2.964 0 50 EFAA CN1CC2(CCC1=O)CCN(Cc1ccc(-n3ccnc3)cc1)CC2 91693812 BSTPPEYILOSDMP-UHFFFAOYSA-N 338.455 2.707 0 50 EFAA CC[C@@H](C(=O)NC1CCN(c2ccccc2F)CC1)n1cccn1 92065682 MFDINMGZBVBCBD-INIZCTEOSA-N 330.407 2.759 0 50 EFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCSCC2)c1 91745873 VLKIOULZLIKMOZ-UHFFFAOYSA-N 349.452 2.841 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC(OCc2ccc(F)cc2)CC1 179631059 ZTLAVENYZRQLQI-UHFFFAOYSA-N 345.418 2.916 0 50 EFAA CCN1C[C@@H](C(=O)N(C)CCSc2ccc(C)cc2)CCC1=O 91594064 BPSXKRJXUILOSP-HNNXBMFYSA-N 334.485 2.804 0 50 EFAA Cc1ccccc1CSCC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 91755312 ZRERPVZATXPOAX-LJQANCHMSA-N 346.496 2.699 0 50 EFAA CCN(CCn1cccn1)C(=O)[C@@H]1CCCCN1Cc1ccccc1 244773914 PIRGIQFXFRPVOK-IBGZPJMESA-N 340.471 2.786 0 50 EFAA C[C@H](Cc1cnccn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1 244899917 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Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 299750192 MUIOYGKRZYBVIG-HYVNUMGLSA-N 331.412 2.581 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CCO1 299752201 SVTVPNXFKJPRCW-HNNXBMFYSA-N 347.411 2.714 0 50 EFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 299750809 OLWKRRPFASUXMG-ZIFCJYIRSA-N 329.488 2.799 0 50 EFAA Cc1cccc(-n2cc(CN(C)C(=O)Cn3cnc(C)c3C)cn2)c1 252485614 HAHDSISULRDWTO-UHFFFAOYSA-N 337.427 2.653 0 50 EFAA Cc1cc2ccccc2n1CCN(C)C(=O)NC[C@@H](C)CN(C)C 534660398 WFDCRXZCWHSURS-OAHLLOKOSA-N 330.476 2.789 0 50 EFAA CCCCCCOC(=O)[C@H]1CN1[C@@H](Cc1ccccc1)C(=O)OC 43155177 ZYGMIKNTEYHYNG-QJNHQHDKSA-N 333.428 2.578 0 50 EFAA Cn1cnc(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 299758527 MJKHGWRWIYFLEK-HNNXBMFYSA-N 327.363 2.803 0 50 EFAA c1ccc(O[C@H]2COCC[C@@H]2Nc2ncnc3sccc23)nc1 1565525556 LLSPXBNGTDQCRG-STQMWFEESA-N 328.397 2.735 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565531356 MZZNNUYULXINQS-BEFAXECRSA-N 348.450 2.706 0 50 EFAA OC[C@@H]1CCCN(CCNCc2cccc(OC3CCCC3)c2)C1 952963970 LVPKQJBLNSUDOV-GOSISDBHSA-N 332.488 2.802 0 50 EFAA O=S(=O)(Cc1ccon1)N1CCc2c1cccc2C(F)(F)F 273564700 FJGWEDYQHJUGMI-UHFFFAOYSA-N 332.303 2.586 0 50 EFAA Cc1ccc(Cl)c(OC[C@@H](O)Cn2ccnc2-c2cnccn2)c1 170078219 VFXANMUYXCYPOU-ZDUSSCGKSA-N 344.802 2.742 0 50 EFAA O=C1O[C@@H](Cn2nc(-c3ccccc3)ccc2=O)CN1c1ccccc1 170595591 JXFRJXOHLOHDLR-QGZVFWFLSA-N 347.374 2.936 0 50 EFAA Cc1cccc(NC[C@H]2CCN(c3nc4ccccc4c(=O)[nH]3)C2)n1 170610092 SWTGFECHMPHTJQ-CQSZACIVSA-N 335.411 2.565 0 50 EFAA O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1C=C[C@H](CO)C1 186997480 NHEMPWJKWUFKLE-YUTCNCBUSA-N 328.334 2.569 0 50 EFAA O=C(C[C@@H]1CCCO1)NCc1ccc(NC(=O)c2cccnc2)cc1 195291336 RDDSLCLWVVADHC-KRWDZBQOSA-N 339.395 2.519 0 50 EFAA COc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1F 771245401 NACRUVHJHVJOBB-UHFFFAOYSA-N 330.363 2.583 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccnc4ccccc34)CCN21 1615955884 OBTHLDUSNNZPMG-CVEARBPZSA-N 339.439 2.560 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H](C1)CN2CC1CCC1)Nc1cccnc1 219446362 LKWKQXVOCYGTGN-MJGOQNOKSA-N 342.487 2.607 0 50 EFAA O=C(c1cc2ccccc2nc1N1CCOCC1)C1CCOCC1 1772811882 AAPCGKHFOXFLGF-UHFFFAOYSA-N 326.396 2.681 0 50 EFAA O=C(c1cccc(-c2ccccc2)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772704817 TYVJSZPRKFQLNR-TZIWHRDSSA-N 337.419 2.825 0 50 EFAA COc1nc(NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)ncc1F 1772704108 RRXUGJBYEMABGH-MRVPVSSYSA-N 347.316 2.896 0 50 EFAA CSCCNC(=O)c1coc(COc2cccc3cccnc23)n1 12197013 JMKNOBHYKFKAIX-UHFFFAOYSA-N 343.408 2.895 0 50 EFAA CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12373546 DWVHAJBDUTZBFG-SFHVURJKSA-N 340.427 2.829 0 50 EFAA Cc1ccn(CCC(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)n1 14971592 TXYOSHPDDOLVSC-QGZVFWFLSA-N 332.492 2.885 0 50 EFAA O=C(Nc1cccc(F)c1)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15069561 UMOYXNRDRWLBIZ-MRXNPFEDSA-N 345.349 2.887 0 50 EFAA COc1ccc(CCC(=O)N2CCN(Cc3ccco3)CC2)cc1 16604415 COLMCFPGTUBKKH-UHFFFAOYSA-N 328.412 2.565 0 50 EFAA CN(Cc1ccoc1)C1CCN(c2ccc(-n3cncn3)cc2)CC1 200532073 FWBSLJCOWYKVQC-UHFFFAOYSA-N 337.427 2.961 0 50 EFAA CC[C@@](NC(=O)Cc1cscn1)(C(=O)O)c1ccc(Cl)cc1 668285556 LOGCTOJPZGDPQN-HNNXBMFYSA-N 338.816 2.845 0 50 EFAA CC(C)[C@H]1CN(Cc2cccn(C)c2=O)C[C@@H](c2ccccc2)O1 1875243372 DPMYHQPWTMHHDB-MOPGFXCFSA-N 326.440 2.983 0 50 EFAA CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)[nH]1 225414952 XUMAQQTWWPIAFW-UWVGGRQHSA-N 328.376 2.792 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H](N)C1 123588885 RSTBDTHXLPUNOU-JTQLQIEISA-N 330.862 2.585 0 50 EFAA CCCNc1ncc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cn1 247974456 FEJUBWPVUQBZHR-SJORKVTESA-N 340.427 2.599 0 50 EFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 252584489 ARRXOSGGGLCADA-XYJRDEOASA-N 344.333 2.918 0 50 EFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnn(CCF)c1 356146715 SFHJBHQJQRNDAP-INIZCTEOSA-N 330.407 2.594 0 50 EFAA Cc1cc([C@H]2CN(C(=O)c3cn(C)nc3Cl)CCO2)ccc1F 827562161 ILUBADSIAODVEP-CQSZACIVSA-N 337.782 2.735 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H](c1cccc(Cl)c1)C(F)F 932430193 XWUMXNCXAJAKFJ-JHJVBQTASA-N 348.777 2.749 0 50 EFAA C[C@H]1CCCc2ncc(C(=O)N3CCn4nc(C5CC5)cc4C3)n21 834433869 XHSZJKRWFJQLDW-LBPRGKRZSA-N 325.416 2.510 0 50 EFAA O=C(NCC[C@@H]1CCOc2ccccc21)c1ccc2c(c1)CNC2=O 1875296497 ZQPIOMUXLJKVTF-CYBMUJFWSA-N 336.391 2.616 0 50 EFAA CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)OCC(C)(C)n1ccnc1 1875299526 NVMPVWOYSNOOLS-HUUCEWRRSA-N 330.432 2.818 0 50 EFAA CCO[C@@H]1C[C@@H](Nc2ncnc3sc(C)nc23)C12CCOCC2 1875286672 AFENZJDAMUWECM-VXGBXAGGSA-N 334.445 2.781 0 50 EFAA C[C@H]1CN(c2ccccc2F)CCN1c1ccc(-n2ccnc2)nn1 1875261778 FDCMMKFWVGOQJQ-AWEZNQCLSA-N 338.390 2.517 0 50 EFAA O=C(N[C@H]1CCSc2ccccc21)[C@H]1CC(C2CCOCC2)=NO1 1875300981 YTAYVFMKLFCOSA-GOEBONIOSA-N 346.452 2.911 0 50 EFAA Cc1n[nH]c2cnc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc12 1875309352 KHLXZOQMRMFZKJ-UHFFFAOYSA-N 337.383 2.657 0 50 EFAA Cn1/c(=N\C(=O)c2csc(-c3ncc[nH]3)n2)sc2ccccc21 1875328745 KQCSIZGHQAHXIJ-XDJHFCHBSA-N 341.421 2.828 0 50 EFAA CC1(C)CCN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1c1ccccc1 887581159 ORPLJOQABSLIAH-MRXNPFEDSA-N 349.438 2.709 0 50 EFAA CN(C)c1cc(C(F)(F)F)nc(NCc2cnn3c2CCCC3)n1 1775280945 JVBIGTXBOBWGAP-UHFFFAOYSA-N 340.353 2.706 0 50 EFAA C[C@H](c1nnc2n1CC[C@H](c1ccccc1)CC2)N1CCOCC1 2100556123 CWEYFXYFVZNBGS-NVXWUHKLSA-N 326.444 2.791 0 50 EFAA NCc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(-c2ccoc2)[nH]n1 2325775081 ZIUBPOYRDCWPBI-INIZCTEOSA-N 336.395 2.936 0 50 EFAA CCN(C(=O)c1cccc(-c2cnn(C)c2)c1)[C@H]1CCCNCC1 848421594 MCMKAGAHOFBZQL-SFHVURJKSA-N 326.444 2.691 0 50 EFAA N[C@H]1CN(S(=O)(=O)c2cccc3scnc23)Cc2ccccc21 2325858838 CGYPCKQRHZMJRZ-ZDUSSCGKSA-N 345.449 2.501 0 50 EFAA NC(=O)C[C@H]1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1 892773934 GLOZIIAPIYOQEU-GFCCVEGCSA-N 330.819 2.889 0 50 EFAA O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCCN1C(=O)c1ccco1 240902842 IVTJJGOPZTWZHJ-ARFHVFGLSA-N 330.428 2.969 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1OCCc2ccccc21 138373114 VIIUJGUAFXOHTB-IBGZPJMESA-N 333.391 2.803 0 50 EFAA COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 274566 VSCCKLWRJVYMEW-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CCOCC2)c1 312213 YWDNANHOYRNYDW-UHFFFAOYSA-N 336.391 2.628 0 50 EFAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C 437865 GFDIHVUILJTFLA-UHFFFAOYSA-N 347.440 2.673 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 465746 CAFUOOXKFQTBBL-UHFFFAOYSA-N 328.343 2.550 0 50 EFAA CCOc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1 1237429 ZJNSDNXMXNLDSH-UHFFFAOYSA-N 342.447 2.972 0 50 EFAA Cc1cc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cnc1C 2356139212 FGIZXQPCSZPXAN-IBGZPJMESA-N 329.444 2.704 0 50 EFAA Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2CCc2ccccc2)n1 55199037 AYXQFLLVQAQZIB-OAHLLOKOSA-N 330.457 2.829 0 50 EFAA O=C(Nc1cccc(N2CCCCC2=O)c1)[C@@H]1CCCc2[nH]ncc21 134515028 ASBQPAXBKSIHIE-OAHLLOKOSA-N 338.411 2.985 0 50 EFAA CCN(Cc1cnn(C)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O 67712922 CMRPRFVXVGVGEM-UHFFFAOYSA-N 330.819 2.937 0 50 EFAA Cn1ccnc1-c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nn1 67842569 KQFSKFNIWAHPLR-INIZCTEOSA-N 334.427 2.564 0 50 EFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2sc(N)nc2CC)C1 67847381 GAORYAQKBRHAMS-NSHDSACASA-N 333.461 2.593 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348244822 NQNHFKSPILVXPK-DYVFJYSZSA-N 349.381 2.572 0 50 EFAA CCN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 20608849 MJRVYZMARXKYJF-UHFFFAOYSA-N 344.484 2.695 0 50 EFAA CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(CC(C)C)C2)c(C)c1 67758659 JIJUSMTUFKSIQG-MRXNPFEDSA-N 331.460 2.661 0 50 EFAA Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1nnnn1C1CC1 252488915 JBMLEJOINDIHDJ-ZDUSSCGKSA-N 348.410 2.869 0 50 EFAA CCOC(=O)c1cnc(-c2ccccc2)nc1N1CCSCC1 1386402 IQJABAILEOBESO-UHFFFAOYSA-N 329.425 2.874 0 50 EFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)Cn2cccn2)c1C 12202334 MDWCUUXIKHQKQR-QGZVFWFLSA-N 349.438 2.879 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCn2cc(Cl)cn2)[C@H](C)C1 77321267 CPBWPNMCEZBHKK-OAHLLOKOSA-N 346.862 2.972 0 50 EFAA CN(CCc1ccncc1)C(=O)[C@H]1CCCN(Cc2ccco2)C1 215517592 RUPNQXKNFGZIDU-KRWDZBQOSA-N 327.428 2.588 0 50 EFAA C[C@@H]1CN(C)CCCN1Cc1ccc(OCCCn2ccnc2)cc1 215127794 XHSNXWOLRGQZAB-GOSISDBHSA-N 342.487 2.878 0 50 EFAA C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 35080238 HGOOISFRTZCVFQ-USXIJHARSA-N 334.460 2.955 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc(N)c2Cl)cc1 216521197 LIBZGWJRMFYMCH-ZDUSSCGKSA-N 347.850 2.684 0 50 EFAA Cn1nccc1C1=CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 375826240 SRSJCBOVROWMJJ-LJQANCHMSA-N 337.423 2.740 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCCNc3cccnc3)cc2)n1 77358860 DXLAZHXIPUZZKD-UHFFFAOYSA-N 335.411 2.726 0 50 EFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](C)C3)c2C(N)=O)C1 13745302 ZYRSRFHIGIHVNK-NWDGAFQWSA-N 349.500 2.642 0 50 EFAA CN1CCCCC[C@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 77487696 TUDMNEYRUMWZHH-IBGZPJMESA-N 347.478 2.734 0 50 EFAA O[C@@H](CNC1(c2noc(C3CC3)n2)CCCC1)COc1ccccc1 173707825 DINVLXQDESATFY-HNNXBMFYSA-N 343.427 2.746 0 50 EFAA CCCc1ccc2oc(C(=O)NCCN3CCC(O)CC3)c(C)c2c1 77564008 AZZGZAWOJWGVGQ-UHFFFAOYSA-N 344.455 2.880 0 50 EFAA C[C@H](NC(=O)c1ccc(C(=O)O)o1)c1ccc(NC(=O)C2CC2)cc1 237600903 REKBFJJRYSPQJL-JTQLQIEISA-N 342.351 2.817 0 50 EFAA CCc1nn(C)cc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1 455059488 CUXCFGNWOMVXFK-INIZCTEOSA-N 332.379 2.727 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)CNC(=O)N2C 1365005972 APGDDTPXLWTEIO-UHFFFAOYSA-N 336.823 2.670 0 50 EFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCF)csc2C1 426376600 YKEYSGKUVHXYIR-UHFFFAOYSA-N 337.420 2.611 0 50 EFAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCc1csnn1 497173645 WECAEPYOHMUJIH-NQBHXWOUSA-N 326.466 2.662 0 50 EFAA CNC1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 179145229 VMFUIUBFQYQRCZ-UHFFFAOYSA-N 332.835 2.565 0 50 EFAA CCc1ncc(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)cn1 292024535 ZQWTZPNTKZSEMA-CYBMUJFWSA-N 325.416 2.923 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCC(C)(C)N1CCCC1 426475314 BIDVXWZQOLXBCL-QGZVFWFLSA-N 333.476 2.626 0 50 EFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@@H](OCCO)C1 178662111 SDJOFWMRCDWDMP-OAHLLOKOSA-N 346.452 2.732 0 50 EFAA CC[C@@H](Cn1ccnc1)NC(=O)Nc1cc2c(cc1C)OCCO2 426518673 DPPHQXOSOFERNF-ZDUSSCGKSA-N 330.388 2.563 0 50 EFAA CCN1CCC(CC(=O)NCCc2nc3c(s2)CCCC3)CC1 95386902 ZLLNQUTUUMHBGJ-UHFFFAOYSA-N 335.517 2.803 0 50 EFAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)N1CCc2n[nH]cc2C1 95530612 WTFVFGLAPPURHG-AWEZNQCLSA-N 342.399 2.558 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1Cl 293752794 UDXWDDIPWKRGDQ-CHWSQXEVSA-N 333.812 2.565 0 50 EFAA CC(C)CN1CC2(CCN(C(=O)CCc3ccccn3)CC2)CC1=O 92062318 JWOLADVAZDJJLY-UHFFFAOYSA-N 343.471 2.511 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 91895347 KKCFXAKODNNRSB-AWEZNQCLSA-N 337.427 2.700 0 50 EFAA CNc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cn1 295204108 KNZVNFOHTPBGHU-QAPCUYQASA-N 338.411 2.672 0 50 EFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(CO)cc2)C1 91713628 VBKCHDYGGNBQBY-IBGZPJMESA-N 331.412 2.842 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2)CC1 95500003 OVAVTGVVKYRSQY-OAHLLOKOSA-N 338.835 2.702 0 50 EFAA CC[C@@H](C(=O)NCCc1csc(-c2ccncc2)n1)n1cccn1 91289478 YJLVEACXISPWIB-HNNXBMFYSA-N 341.440 2.712 0 50 EFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@@H]1c1ccco1 96164228 JVSPUHOIFZZSTR-CQSZACIVSA-N 349.412 2.604 0 50 EFAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccnc2-n2cncn2)C1 184687650 XSIFWTIFSDJKOQ-CZUORRHYSA-N 349.398 2.672 0 50 EFAA COCCc1noc(CN(C)Cc2cc(C3CCCCC3)no2)n1 252500638 SZPKOEYGPCWLKH-UHFFFAOYSA-N 334.420 2.926 0 50 EFAA Cc1nccn1CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1 361796568 GZVJPIWDKQUFDD-UHFFFAOYSA-N 337.427 2.831 0 50 EFAA NC(=O)C1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCCCC1 299768607 YKOHWQDHTMJYEZ-UHFFFAOYSA-N 342.361 2.942 0 50 EFAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccn1 299774766 GHHDZWUHPMJGEU-KRWDZBQOSA-N 328.412 2.938 0 50 EFAA CCOC(=O)N1CC[C@H](NCc2cc(-c3ccc(OC)cc3)no2)C1 584887744 UXXKTKCMMASHSB-AWEZNQCLSA-N 345.399 2.671 0 50 EFAA CCOC(=O)c1cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)c(C)[nH]1 584891073 RRUPQAUNOVYPED-HNNXBMFYSA-N 342.395 2.686 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCCN(C)C2)cc1C 952990772 YTZLDVKJFHFQLP-HNNXBMFYSA-N 347.459 2.640 0 50 EFAA CCc1nccn1CCCNc1nc(N2CCCC2)nc(C)c1C 952873754 NYJNEWKQGNEIKV-UHFFFAOYSA-N 328.464 2.955 0 50 EFAA COCCN(CCOc1ccccc1F)C(=O)c1csc(C)n1 952965291 GENJCILGWWJDFS-UHFFFAOYSA-N 338.404 2.758 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1OC(F)F 169975031 WQYBFWSQVCMKAH-UHFFFAOYSA-N 347.295 2.688 0 50 EFAA CCC1(NC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)CCC1 170016361 GYYYCUZSXDNAGL-UHFFFAOYSA-N 333.457 2.983 0 50 EFAA Cc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1Cl 170091128 QMFPIQUOQNBHOC-CHWSQXEVSA-N 325.840 2.567 0 50 EFAA CCc1nc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2CC)co1 170594349 JRPKDCJCRDJYHF-INIZCTEOSA-N 327.428 2.974 0 50 EFAA COC[C@H]1CCCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 170597094 VNSSRMQPGPQNGI-SFHVURJKSA-N 330.472 2.926 0 50 EFAA CC(=O)c1ccc(N(C)C2CCN(CCc3ccccn3)CC2)nc1 170604172 FEOMLIHBDZMBJU-UHFFFAOYSA-N 338.455 2.823 0 50 EFAA CCc1ccc(CC(=O)N[C@@](C)(Cc2ccccc2)C(=O)O)cc1 170671905 KQIRIGCEKSVTET-FQEVSTJZSA-N 325.408 2.994 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)OCC(=O)Nc1ccccc12 91302875 DGKHHKBWOLBQDP-UHFFFAOYSA-N 332.400 2.882 0 50 EFAA in-vitro O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCO[C@@]2(CCOC2)C1 186018759 RNBKAWFABQJWRX-HOCLYGCPSA-N 343.345 2.741 0 50 EFAA Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)co1 188391518 RLFYVQDYWHBUCU-UHFFFAOYSA-N 346.814 2.769 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(OCC(=O)O)c1 652083564 FGJLSJKGWQTCMV-DLBZAZTESA-N 325.364 2.744 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCCOc1ncccc1F 657412301 HUCZAYOKARSIBJ-WMLDXEAASA-N 348.422 2.573 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCN21 1615733332 DERPSJKZAGBXSS-CVEARBPZSA-N 346.446 2.569 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1CCn1ccnc1C 1506421967 XAYCKEZMAJJRIC-MRXNPFEDSA-N 329.448 2.545 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2CCCCC2)OCC(=O)N1C 1529182212 YAUBWBJHEVVVEL-MOPGFXCFSA-N 344.455 2.590 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CC3CCCC3)C1)CC2 1704335572 BRCPPCHGPYFALM-FQEVSTJZSA-N 342.487 2.929 0 50 EFAA CC[C@](C(=O)OC)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1772575832 LSDAAXGGXQCLOJ-LJQANCHMSA-N 341.338 2.900 0 50 EFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccncc2)CC3)c1 11819530 PZRDKKBZWOBBTM-UHFFFAOYSA-N 334.379 2.679 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCO1 12473128 BDPRHPYGRWOBSG-KRWDZBQOSA-N 325.412 2.513 0 50 EFAA COc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14899086 HWYJSBDPSMZXFJ-UHFFFAOYSA-N 338.411 2.566 0 50 EFAA Cc1cccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c1C 16890149 PBCBYBHVLDUURI-LLVKDONJSA-N 333.331 2.509 0 50 EFAA O[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1NCc1cccc(OCC2CC2)c1 1857527785 HFYJYDQURUECMQ-HOJAQTOUSA-N 341.455 2.601 0 50 EFAA O=S1(=O)CC[C@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 1857688970 AAGORRNCNQTUQE-LBPRGKRZSA-N 331.372 2.597 0 50 EFAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@@H]1CCn2nccc2C1 1857699868 BJSQQNCOVNRTJF-CYBMUJFWSA-N 337.345 2.823 0 50 EFAA O=C(C1CCCCC1)N1CC[C@H](Nc2nc(O)c3ccccc3n2)C1 301632086 CYDLFRJVYVKWHD-AWEZNQCLSA-N 340.427 2.929 0 50 EFAA CCC[C@H]1CN(C(=O)NCc2ccnc(OCC3CC3)c2)CCO1 119147177 GEOGFJUPBQXBNY-INIZCTEOSA-N 333.432 2.581 0 50 EFAA CCN(c1cccc(O)c1)S(=O)(=O)c1cc(C(=O)O)sc1C 317871683 XEDJZQJNUIOSCP-UHFFFAOYSA-N 341.410 2.676 0 50 EFAA O=C(N[C@H]1CCCN(c2cccnn2)C1)C1(C(F)(F)F)CCCC1 333140043 JFYDLEJCGJQDDN-LBPRGKRZSA-N 342.365 2.684 0 50 EFAA COc1ccc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c(Cl)c1 237174933 PCZSWSLJOFMFIH-GFCCVEGCSA-N 339.819 2.995 0 50 EFAA C[C@@H](C(=O)O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 237612509 XSTYQVFQARDLKI-ZETCQYMHSA-N 338.713 2.702 0 50 EFAA CC(C)COc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 131803086 IQOGNHNWJPGVLA-SJLPKXTDSA-N 344.455 2.852 0 50 EFAA O=C(Nc1cnn(-c2ncccn2)c1)C(F)(F)c1ccccc1F 765830125 YIECWYSVDVXMJO-UHFFFAOYSA-N 333.273 2.532 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 261754556 PFOLWVDMDVHEHM-NSHDSACASA-N 339.775 2.928 0 50 EFAA O=C(O)CCc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 262381709 KMSAAHJOXTYJHQ-UHFFFAOYSA-N 341.363 2.656 0 50 EFAA C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cnc(C(=O)O)cn1 263281980 OQTSRBOQOFIMBV-SNVBAGLBSA-N 333.775 2.531 0 50 EFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)cc2)N1 34792444 YCCPHMBIMIJBPW-ROUUACIJSA-N 336.391 2.953 0 50 EFAA biogenic,in-vitro Cc1cc(C2CC2)nc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)n1 905660394 ZVRSPEQNZRKPJM-GFCCVEGCSA-N 336.395 2.645 0 50 EFAA CC(C)c1ncsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C 905905213 VSQIZPGMGBLULD-LLVKDONJSA-N 344.502 2.552 0 50 EFAA Cc1ncc(C(=O)O)cc1C(=O)Nc1cnn(C2CCCC2)c1C 910654977 FGCQUGDTMRAVFM-UHFFFAOYSA-N 328.372 2.961 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)ccc1Cl 910615330 BVTXNNLZRHLJBK-JZLYGMAVSA-N 337.803 2.791 0 50 EFAA COc1ccc2cc(C(=O)N(C3CCNCC3)C3CC3)cnc2c1 911676417 IYTQEBUPFJZOKC-UHFFFAOYSA-N 325.412 2.600 0 50 EFAA Cc1nc(-c2ccccc2)oc1CN1CCO[C@H](c2ccnn2C)C1 933546487 ZOZUGGFIRHJUEM-SFHVURJKSA-N 338.411 2.957 0 50 EFAA COc1cnc([C@@H]2CCCN2c2ncnc3sc(C)cc23)nc1O 1120069920 CBSPQECDRWUXLY-NSHDSACASA-N 343.412 2.845 0 50 EFAA Cc1cnn([C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)c1 936064164 WIYYMPPMWUDVNV-CYBMUJFWSA-N 338.333 2.621 0 50 EFAA COc1c(Cl)cccc1C(=O)N(C[C@@H]1CCCO1)c1ccnnc1 1875276220 JIZPFNCFZVHOIC-ZDUSSCGKSA-N 347.802 2.964 0 50 EFAA O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1n[nH]c2c1CCCC2 1875302502 SVJBQRJKJVAYSW-UHFFFAOYSA-N 339.374 2.795 0 50 EFAA COc1cccc(CCC(=O)N2CCC[C@H]2c2ccc(N)nn2)c1F 886097093 NHLAYVDLXOFFTI-AWEZNQCLSA-N 344.390 2.503 0 50 EFAA CCc1ccc(C(=O)N2CCc3c(C)ccnc32)cc1S(C)(=O)=O 888077655 NWHMWZUIUNTWSZ-UHFFFAOYSA-N 344.436 2.559 0 50 EFAA C[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)CCN1c1ccccc1 890195524 WPPODHRHINPLNQ-MRXNPFEDSA-N 343.471 2.563 0 50 EFAA Cc1nc([C@@H](C)NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)no1 1775994570 ZDELZDAKUHQGIX-RISCZKNCSA-N 348.378 2.831 0 50 EFAA Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 6668176 POALRXOLGGJCBI-UHFFFAOYSA-N 334.372 2.820 0 50 EFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 283007 URVMQNGLXOXTJA-UHFFFAOYSA-N 325.773 2.927 0 50 EFAA COc1ccc2ncc(CN[C@@H]3CCCc4cc(CN)ccc43)n2c1 2325800156 SKRPVNBPDFQMRX-LJQANCHMSA-N 336.439 2.969 0 50 EFAA OC1(c2cccc(F)c2)CN(Cc2ccc(-n3ccnc3)c(F)c2)C1 2325856266 IBVYIHZZZPFCCT-UHFFFAOYSA-N 341.361 2.854 0 50 EFAA COC(=O)c1sc(NC(=O)C2CCCC2)c(C(=O)OC)c1C 441543 XSDLFHPIWFWCNP-UHFFFAOYSA-N 325.386 2.758 0 50 EFAA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 454905 BMXXERCMRKJCFS-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA COc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1 1059532 WHIIOKXIQHYZOY-UHFFFAOYSA-N 327.340 2.587 0 50 EFAA CCCCc1nnc2n1[C@@H](C)C(=O)N(Cc1ccc(OC)cc1)C2 2356143580 NZKCLPPLVYWTAT-ZDUSSCGKSA-N 328.416 2.733 0 50 EFAA Cc1cccc(-c2noc(CCCC(=O)NC[C@H]3CCCO3)n2)c1 4433684 VNBALPSZWXYORU-OAHLLOKOSA-N 329.400 2.663 0 50 EFAA COc1cccc(CCCNS(=O)(=O)Cc2ccccc2F)c1 10543481 VEKXHPVKCFKNMQ-UHFFFAOYSA-N 337.416 2.887 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2S(=O)(=O)CCC(C)(C)C)c1 225714410 CWGKDKALVBRLHG-GDBMZVCRSA-N 341.473 2.569 0 50 EFAA CCOc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 100637668 QAEDUQJMDKCNBA-HNNXBMFYSA-N 328.343 2.968 0 50 EFAA COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c1 20310908 JHGZODVPDWMJKI-GOSISDBHSA-N 326.396 2.707 0 50 EFAA COc1ccc(CN2CCC[C@H](N(C)CCCN(C)C)C2)c(F)c1 20869183 CHFFWSZTXRMNRO-KRWDZBQOSA-N 337.483 2.682 0 50 EFAA CCn1nc(C)c(NC(=O)CN2CC[C@H]2c2cccc(OC)c2)c1C 65466777 OPIYQBZUFFAXJA-KRWDZBQOSA-N 342.443 2.914 0 50 EFAA C[C@@H](CN1CCCC1)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67741640 HLCTUYXOVNBTAH-HNNXBMFYSA-N 336.439 2.718 0 50 EFAA COc1ccc2c(c1)C[C@H](NCCn1ncc3ccccc3c1=O)CC2 67641565 CKKANXYYXINBIW-GOSISDBHSA-N 349.434 2.552 0 50 EFAA COC[C@H](c1ccccn1)N(C)Cc1cc2ccc(F)cc2[nH]c1=O 67785671 NHARRDYEBKHZRS-GOSISDBHSA-N 341.386 2.882 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2F)C[C@@H](C)O1 229657209 CONJJRYHQOHEHN-QLFBSQMISA-N 335.423 2.931 0 50 EFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1c(C)cc(C)n(C)c1=O 67965035 FKJCQYNBYJXKNP-INIZCTEOSA-N 340.423 2.988 0 50 EFAA Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCCC1 1423903 BEXDHLGHAWUWFI-UHFFFAOYSA-N 336.457 2.733 0 50 EFAA FC(F)(F)c1ccccc1[C@H]1CN(c2ncnc3n[nH]cc23)CCO1 359084960 RXFZGCMCIJSYGK-CYBMUJFWSA-N 349.316 2.950 0 50 EFAA Cc1cc(C(F)(F)F)nc(Oc2ccc(S(C)(=O)=O)cc2)n1 359554765 NDUCNWUYSSVAIW-UHFFFAOYSA-N 332.303 3.000 0 50 EFAA CCCc1cc(C(=O)NCc2noc(Cc3ccccc3)n2)no1 77357873 RDWUTUGQTYQLDI-UHFFFAOYSA-N 326.356 2.531 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3sc(C)cc3OC(F)F)C2)n1 331668521 ZKEPOEGPGUCVAL-SECBINFHSA-N 343.355 2.979 0 50 EFAA CN(Cc1cnc(N2CCCC2)nc1)Cc1cnn(-c2ccccc2)c1 72163908 IJOKNDWEUOPSFT-UHFFFAOYSA-N 348.454 2.895 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cn(CCCc2ccccc2)nn1 72169721 BJCYYJXWUDPEJH-UHFFFAOYSA-N 349.438 2.968 0 50 EFAA CC(=O)C1(c2ccccc2)CCN(C(=O)Cc2cc(C)no2)CC1 72406731 AYSQVWFPYWOKEX-UHFFFAOYSA-N 326.396 2.675 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(Nc2cccnc2)CC1 370331792 DGWSGYYMNOHHEB-GFCCVEGCSA-N 327.432 2.628 0 50 EFAA COc1ccc(CNC(=O)N2CCC(c3cn[nH]c3)CC2)c(OC)c1 374987189 KYEFTXHNAAXJGL-UHFFFAOYSA-N 344.415 2.516 0 50 EFAA O=C(C1CCN(C[C@@]2(c3ccccc3)CCOC2)CC1)N1CCCC1 215647765 MVEPLIOTWHPWSN-NRFANRHFSA-N 342.483 2.679 0 50 EFAA CC(C)(C)OC(=O)Nc1ccc(C(=O)N2Cc3cncnc3C2)cc1 496039202 AFGVMZUELMFFTP-UHFFFAOYSA-N 340.383 2.980 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1csc(N)n1 77541276 NAUSVXWXHREUHN-UHFFFAOYSA-N 341.440 2.502 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CCC[C@@](C)(C(=O)O)C3)cc12 263139833 ZQYXOYQNSBNYQY-QGZVFWFLSA-N 334.347 2.643 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2cccc(C)c21 285250022 RDGDPZODLKJIGA-NVXWUHKLSA-N 325.412 2.878 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 222584942 DQCWZKRTUYETMB-TZCMFKBTSA-N 344.238 2.702 0 50 EFAA Cc1cc(C)n(CCNC(=O)Nc2nnc(-c3ccccc3)s2)n1 48234092 GHUYBZWJVXDDPY-UHFFFAOYSA-N 342.428 2.840 0 50 EFAA CCc1cc(N2CCC[C@H](Nc3nccnc3C(F)F)C2)ncn1 288284432 BILPBNNEMPFPKR-LBPRGKRZSA-N 334.374 2.848 0 50 EFAA CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)OC 17070639 NELQAKVCDKGKGT-UHFFFAOYSA-N 335.429 2.759 0 50 EFAA CN(CC(=O)N1CCCC[C@@H]1c1nccs1)Cc1cccnc1 220513514 GHXJPELMFIUHBZ-OAHLLOKOSA-N 330.457 2.724 0 50 EFAA CO[C@@](C)(c1nc(Cc2nncn2-c2ccccc2)no1)C1CC1 291143705 YKSRUTRCYIETDV-QGZVFWFLSA-N 325.372 2.513 0 50 EFAA C[C@@H](c1ccc(NC(=O)NCc2ccco2)cc1)N1CCOCC1 264607864 DPDVLROMTHPUTK-AWEZNQCLSA-N 329.400 2.995 0 50 EFAA Cc1cccc(OC[C@H]2CCCN(C(=O)NCc3nnc(C)o3)C2)c1 426404425 YTXGGFZEOUOSSK-HNNXBMFYSA-N 344.415 2.687 0 50 EFAA Cc1cc(-n2nc(C)nc2-c2cccc(N3CCOCC3)c2)ccn1 97696178 QDTXDBZOORWWLJ-UHFFFAOYSA-N 335.411 2.783 0 50 EFAA O=C(NCCCSCc1ccccc1F)[C@@H]1CC12CCNCC2 96151683 ZMMYVCUBNCSFBZ-HNNXBMFYSA-N 336.476 2.955 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)CCc1c(C)nn(C)c1C)CC2 95387942 LAZAAFGMKGSHGH-UHFFFAOYSA-N 341.455 2.606 0 50 EFAA CN(C(=O)CN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1)C1CCCCC1 91626402 CSPXPAKEJXFFDW-ZWKOTPCHSA-N 344.455 2.578 0 50 EFAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@@H]1COc2ccccc2C1 95502164 DITZCJNSLSIAAT-KRWDZBQOSA-N 327.428 2.656 0 50 EFAA C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(-n2cncn2)cc1 426707229 OBGUVWWUUJNQNS-GFCCVEGCSA-N 335.358 2.769 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)C(C)(C)N)C1 91505504 VBPAHMXUKSRZMP-HNNXBMFYSA-N 326.444 2.739 0 50 EFAA Cc1nccn1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1 91441290 NMZSDPNZUXOHGD-UHFFFAOYSA-N 325.338 2.917 0 50 EFAA Cc1nc(CC(=O)NCc2nc(C)c3c(n2)CCCC3)c(C)s1 244700929 JWQLYECJQGAGAS-UHFFFAOYSA-N 330.457 2.596 0 50 EFAA COc1nccc(CN2CCC[C@@H](Oc3ccccc3OC)C2)n1 296207460 ZNNMMZSJIQZVSN-OAHLLOKOSA-N 329.400 2.537 0 50 EFAA Cc1noc(CNC(=O)COc2cccc3c2ccn3C(C)C)n1 252510380 ZIZKABQWUQTCLE-UHFFFAOYSA-N 328.372 2.609 0 50 EFAA Cc1cccn2c(CC(=O)NCc3ccc4c(c3)CCCO4)cnc12 534649438 NTYSUPRMHSOGOW-UHFFFAOYSA-N 335.407 2.827 0 50 EFAA CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCNCC2 299762410 VWSGNMUMRLEWPE-SJORKVTESA-N 342.464 2.869 0 50 EFAA CCOc1cccc(NC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c1 299772356 ZKGGTLYKFGXAFW-QGZVFWFLSA-N 333.388 2.534 0 50 EFAA CCCOc1cccc(CCNC(=O)N2CCO[C@@H](C3CC3)C2)c1 486287337 WYZLSZGDYLUSPB-GOSISDBHSA-N 332.444 2.838 0 50 EFAA Cc1nnc(SCC(=O)N(C)Cc2ccc3ccccc3n2)o1 584901853 NBYVEAFJLRKRPJ-UHFFFAOYSA-N 328.397 2.677 0 50 EFAA Cc1cc(S(=O)(=O)N[C@H](C)c2nncn2C(C)C)c(C)s1 670437800 QHGAWEXVDWUYNH-SNVBAGLBSA-N 328.463 2.577 0 50 EFAA Cn1cnc2cc(C(=O)Nc3ccc(CC(=O)NC4CC4)cc3)ccc21 952974903 XFHRMWCKDDRPIT-UHFFFAOYSA-N 348.406 2.647 0 50 EFAA CN1CCCN(CC(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 952873942 SGEBMSAEJHEBDP-FQEVSTJZSA-N 343.515 2.638 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2ccc(CN(C)C)cc2)c(C)c1 952991733 RYXVLNYRVWDJFK-UHFFFAOYSA-N 325.412 2.669 0 50 EFAA CC1=CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 270505988 WSFRJYAIIUDXTC-UHFFFAOYSA-N 343.471 2.505 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N(C)CCc2cnccn2)C12CCCCC2 271319717 ARKBSFSEIYKKCP-DLBZAZTESA-N 346.475 2.788 0 50 EFAA O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)N1CC[C@H](CO)C1 170591936 QRMNIWOWIMSTRX-NSHDSACASA-N 347.802 2.745 0 50 EFAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1coc(CC2CC2)n1 170597745 FWTYTFMYQWVPTQ-UHFFFAOYSA-N 341.411 2.712 0 50 EFAA CC(C)CN1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1=O 170601181 WBDCLXYILUNYNP-LLVKDONJSA-N 328.865 2.832 0 50 EFAA CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](COCC)C(C)C 170608896 UTEUMERLLRWSNP-QZTJIDSGSA-N 348.487 2.691 0 50 EFAA NC(=O)[C@H]1CCCCN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 171041888 UACSQRZYRBLQEU-GFCCVEGCSA-N 346.456 2.517 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1csc2ccccc12 408520693 SYAJGGCODRGHET-GFCCVEGCSA-N 337.466 2.941 0 50 EFAA CC[C@@H](C)OCC(=O)Nc1ccc(F)cc1Cn1ccsc1=O 408520313 QLBASDSYBZXETG-LLVKDONJSA-N 338.404 2.851 0 50 EFAA CCOC(=O)[C@@H](C)N(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 189329443 ASXZFAUEMZSCFS-SSDOTTSWSA-N 333.281 2.799 0 50 EFAA Cc1ccccc1-c1ccccc1CN1CCC[C@](O)(CC(N)=O)C1 643747879 RKWAJCFRRUFAML-NRFANRHFSA-N 338.451 2.864 0 50 EFAA C[C@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)CC[C@H]1c1ccccc1 648302769 YQJMPXZSVUNCTC-WMLDXEAASA-N 338.455 2.887 0 50 EFAA CCC[C@@]1(COC)CCCN1C(=O)N[C@H](C)c1nnc2ccccn12 193455284 MBBAOUXQBCOSBH-KDOFPFPSSA-N 345.447 2.781 0 50 EFAA CC(C)(C(=O)O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 649458830 JGIQLIBBXZRHBY-UHFFFAOYSA-N 339.804 2.832 0 50 EFAA COc1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 194058577 QYMKZXXWAGHZQZ-DLBZAZTESA-N 335.400 2.810 0 50 EFAA C[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)[C@H](c2ccccc2)CO1 675814119 ZCXKRSIWLFWZPE-KDOFPFPSSA-N 339.439 2.901 0 50 EFAA Cc1ccc(NC2(C(=O)N3C[C@H](O)[C@@H](F)C3)CCCCC2)cc1C 1615750685 INDWYPBKXAMHMB-IRXDYDNUSA-N 334.435 2.959 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc2c1OCCO2 1506399639 IGHPETKGDPBGKC-UHFFFAOYSA-N 341.342 2.745 0 50 EFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 282772 JLYNFGCGJVUQLS-VQHVLOKHSA-N 336.391 2.777 0 50 EFAA CC(C)c1cc(CN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)no1 1529152040 NZKYPNQKWVLUQL-VQTJNVASSA-N 344.455 2.586 0 50 EFAA Cc1ncsc1CCN(C)c1nc2cc(C(=O)O)ccc2n1C 1529198962 QVUYLEJCYDNROV-UHFFFAOYSA-N 330.413 2.715 0 50 EFAA COc1cc(N2CCC3(CC2)OCCc2sccc23)nc(OC)n1 1704315779 NYTROZNAJJKRBI-UHFFFAOYSA-N 347.440 2.624 0 50 EFAA OCCN(Cc1nc(Cc2ccccc2)no1)Cc1cccs1 12702669 RMWDOQHHADPAQG-UHFFFAOYSA-N 329.425 2.716 0 50 EFAA CCCn1ncc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C 15071801 KUVIGYRRBXSXLN-SFHVURJKSA-N 344.434 2.631 0 50 EFAA CCOc1cc(S(=O)(=O)n2nc(C)cc2C)c(OCC)cc1C 16577463 DWLOLAMCHORWNS-UHFFFAOYSA-N 338.429 2.843 0 50 EFAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 19900305 LDQJZSLRTTYGLX-CYBMUJFWSA-N 342.892 2.659 0 50 EFAA COCc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 109861659 DMPJRVWGIIJFOV-CQSZACIVSA-N 340.427 2.779 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCN(c2ccncc2)CC1 225385320 FVBXRCHFISBCFE-DLBZAZTESA-N 343.377 2.812 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)NCCc2ccc3c(c2)OCCO3)c1C 225619522 NTFCLCWUAHJYGG-CYBMUJFWSA-N 343.427 2.906 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1OCc1nnc([C@@H]2CCCOC2)o1 643645456 OSBBXHQDLYPRGI-CQSZACIVSA-N 345.399 2.553 0 50 EFAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(O)nc1 126444482 UCUFKYBIDPDVKW-CYBMUJFWSA-N 331.803 2.839 0 50 EFAA Nc1ncnc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1Cl 242339198 ZFTUKMBUFTYKMM-LLVKDONJSA-N 332.791 2.825 0 50 EFAA CC[C@@H](NC(=O)CN1CCn2cncc2C1)c1ccc(Cl)cc1 660580788 VADLQMKLSCNYBC-MRXNPFEDSA-N 332.835 2.620 0 50 EFAA Cc1ccccc1C[C@H](CO)NCc1cnc([C@@H]2CCCO2)s1 342304832 HEFCGCQYZGEUQU-WBVHZDCISA-N 332.469 2.996 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccccn2)C1 343936891 DJKMBTVZZVNJMH-NSHDSACASA-N 338.333 2.854 0 50 EFAA O=C1CCC[C@H](C(=O)NC[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)N1 357746592 ULNAZPFOTIABSR-LJWDBELGSA-N 341.238 2.882 0 50 EFAA COC[C@H]1CCCCN(C(=O)c2sc3nc(C)nc(N)c3c2C)C1 681087942 OHVAJPNZWOCMTR-LBPRGKRZSA-N 348.472 2.779 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](c2nccn2C)C1 363444531 TYCDOYUNGMSPIU-UKRRQHHQSA-N 330.407 2.689 0 50 EFAA COc1ccc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)cc1Cl 263571762 JWHUVVZJGLNMKQ-CQSZACIVSA-N 340.851 2.720 0 50 EFAA CCCCn1c(S(=O)(=O)Cc2cccc(OC)n2)nc(C)c1C 163424316 OMLLNAHPCUEQFF-UHFFFAOYSA-N 337.445 2.678 0 50 EFAA Cc1noc(C)c1-c1noc([C@@H]2CCN(Cc3ccccc3)C2=O)n1 904086364 GTRBGXIRWDYVND-AWEZNQCLSA-N 338.367 2.858 0 50 EFAA N[C@H]1C[C@@](C(=O)Nc2nnc(C(F)(F)F)s2)(c2ccccc2)C1 912236159 GQOVWEYDYYVXNY-GMZHKTEUSA-N 342.346 2.555 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 820746751 IPGWLZTUXXAXBT-OAHLLOKOSA-N 348.786 2.663 0 50 EFAA Cc1csc(S(=O)(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1 829855434 YBXJOESGTXVWAW-LLVKDONJSA-N 337.422 2.824 0 50 EFAA COc1ccc([C@H]2CCCN2Cc2n[nH]c3c2COCC3)c(OC)c1 929139696 VHVQFMCSWLHAHZ-GOSISDBHSA-N 343.427 2.837 0 50 EFAA Cc1c(Cl)cncc1NC(=O)N[C@@H]1CCC[C@@H]1Oc1cnn(C)c1 931580687 VGHTZYOZVZODDP-HIFRSBDPSA-N 349.822 2.899 0 50 EFAA Cc1nc(CC2CCN(C(=O)Nc3ccc4c(n3)CCC4)CC2)no1 931674537 JQHIERRDZVGHGV-UHFFFAOYSA-N 341.415 2.748 0 50 EFAA Cc1cccc([C@H]2NC(=O)N(Cc3ccn(CC(F)F)n3)C2=O)c1C 1875266169 DYZSBWANVLTLNP-OAHLLOKOSA-N 348.353 2.558 0 50 EFAA COCC1(c2ccccc2)CN(C(=O)c2ncnc3ccsc23)C1 1875267916 RWEMTKXDOQPZTI-UHFFFAOYSA-N 339.420 2.732 0 50 EFAA CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(=N)[nH]c3)cc2C1 1875283188 IXXAPRQNFJUFDI-UHFFFAOYSA-N 332.429 2.911 0 50 EFAA COC(=O)c1ccc(OC)c(CS[C@@H](C)[C@H](C)C(=O)OC)c1 1875341389 QYGZBTVJZZDORX-QWRGUYRKSA-N 326.414 2.913 0 50 EFAA Cc1noc([C@H]2OCC[C@H]2CNCc2ccnn2C2CCCC2)n1 888078311 IIUCLKKXPWMGIH-BBRMVZONSA-N 331.420 2.557 0 50 EFAA CN(C)S(=O)(=O)c1ccnc(-c2cccc(CN3CCCC3)c2)c1 2325777938 QVZMAZIRDMNONH-UHFFFAOYSA-N 345.468 2.595 0 50 EFAA Cn1ccnc1N1CCN(Cc2cc(-c3ccc(F)cc3)on2)CC1 2325784360 XIJZNXOCGFLKPP-UHFFFAOYSA-N 341.390 2.536 0 50 EFAA N[C@H]1CN(c2ccc(C(=O)Nc3ccccc3)nn2)Cc2ccccc21 2325860912 YTRUDPWGPOYCIJ-KRWDZBQOSA-N 345.406 2.749 0 50 EFAA Cn1ncnc1-n1nc(CC2CC2)nc1-c1c[nH]c2cc(F)ccc12 2325861993 FMNRPWXJXRENBA-UHFFFAOYSA-N 337.362 2.636 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCC[C@H]3CO)s2)c1 131367099 QRNGLWLADYXRQW-ZDUSSCGKSA-N 332.429 2.811 0 50 EFAA CCOc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 147156 WPFDYHSSSGOIPC-UHFFFAOYSA-N 329.352 2.874 0 50 EFAA CN1C[C@H]2C[C@@H](N(C)Cc3ccc(C(F)(F)F)o3)C[C@H]2CC1=O 2356158584 PWICNAUHUYQFPQ-TUAOUCFPSA-N 330.350 2.987 0 50 EFAA CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 7054694 AOLVNDUUXURRDJ-UHFFFAOYSA-N 332.425 2.969 0 50 EFAA Cc1ccc(N([C@H](C)C(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 10286449 OXQLEKTUSBMEKY-OAHLLOKOSA-N 346.452 2.813 0 50 EFAA CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)cc1 10682068 VJAXZVNVYVWSRY-UHFFFAOYSA-N 340.379 2.758 0 50 EFAA CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cn(-c3ccccc3)nn2)c1 343056183 VVPJVSUFJOGYHO-ZWKOTPCHSA-N 348.406 2.952 0 50 EFAA CC(C)(C)OC(=O)NC1(CO)CCN(CCC2CCCC2)CC1 225672038 BMXGWOVUDSXTAI-UHFFFAOYSA-N 326.481 2.918 0 50 EFAA CN[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 134018078 VWYWBADMKXJWJR-ZDUSSCGKSA-N 330.350 2.728 0 50 EFAA c1ccc(-c2nc3ncccn3c2CN2CCC[C@]3(CCNC3)C2)cc1 67790187 HALVOMWADJUDOR-OAQYLSRUSA-N 347.466 2.972 0 50 EFAA CSCc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)o1 11933183 NYXIALZGZFVYKU-OAHLLOKOSA-N 345.468 2.932 0 50 EFAA C[C@H](NCC(=O)N[C@H]1CCCc2ccccc21)[C@@H](C)n1cccn1 229568165 NSKSDQZSXXKZKD-DAYGRLMNSA-N 326.444 2.616 0 50 EFAA CCSCc1nc2c([nH]1)C[C@@H](c1cccc(OC)c1)CNC2=O 65427282 KEMCZWOBAOESSQ-GFCCVEGCSA-N 331.441 2.741 0 50 EFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccoc1 67803725 QJZQQQLMBWNFEM-IBGZPJMESA-N 334.460 2.693 0 50 EFAA CC1(C)[C@H](NC(=O)c2ccc(-n3cccn3)cc2)[C@H]2CCCO[C@H]21 230138485 SUCCHNAHCSJVKN-BRWVUGGUSA-N 325.412 2.806 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1N(C)C 121435465 RMMZHSDGJZXKHZ-OAHLLOKOSA-N 348.472 2.700 0 50 EFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 125301552 HFVXRUXUUGLZRD-WXHSDQCUSA-N 328.334 2.509 0 50 EFAA O=C(c1ccc2ncccc2c1)N1CCn2nc([C@H](O)C3CC3)cc2C1 219991475 CLXJGPXIISTTOJ-LJQANCHMSA-N 348.406 2.531 0 50 EFAA CC[C@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 71760146 JOVWLCPDAAGOGG-OAHLLOKOSA-N 339.395 2.660 0 50 EFAA Cn1cnnc1[C@H]1CN(Cc2cc(Cl)ccc2Cl)CCO1 328646179 SLUUWJLADVDOGG-CYBMUJFWSA-N 327.215 2.695 0 50 EFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 77378409 APZIOZUYSLEUDY-SFHVURJKSA-N 337.419 2.985 0 50 EFAA Cc1ccccc1-c1cc(NC(=O)N[C@H]2CCCC[C@@H]2O)n(C)n1 153551823 MIEMWHHQJKEYRS-HOCLYGCPSA-N 328.416 2.821 0 50 EFAA Fc1cccc(Cl)c1Cn1ccnc1-c1cc2n(n1)CCNC2 72430311 CFKIJLPJWAVYFH-UHFFFAOYSA-N 331.782 2.691 0 50 EFAA CCOc1ccc([C@H](COC)NC(=O)N2CCO[C@H](C)[C@@H]2C)cc1 241383113 MSPZILFBHQAVSZ-VBQJREDUSA-N 336.432 2.592 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C1CCN(c2ncccn2)CC1 241383243 MTQLUIBCRBCZPZ-RSJGLCBASA-N 340.471 2.634 0 50 EFAA O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@](O)(C(F)(F)F)CC1 376453288 FOVQIYXXLQPUMY-OAHLLOKOSA-N 345.365 2.598 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CCC[C@@](CO)(c2ccccc2)C1 367325645 SIOLETABSCEXEV-OAQYLSRUSA-N 349.434 2.658 0 50 EFAA Cc1noc([C@]2(O)CCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)n1 368581669 CERXXERBZSDQEB-SFHVURJKSA-N 343.358 2.871 0 50 EFAA FC(F)(F)COCCN(Cc1nccs1)[C@H]1CC12CCNCC2 261814931 JWEAQLFYYZBLIG-LBPRGKRZSA-N 349.422 2.666 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCC1=CCCCC1 72470185 GZPALELSSHMSJG-SFHVURJKSA-N 333.520 2.799 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 238098722 ZXZSBLIZNXHLSB-INIZCTEOSA-N 325.364 2.812 0 50 EFAA Cc1cc(NCc2nc(Cc3ccccc3)no2)n2nc(C)cc2n1 72427048 UPSVIIOAXRAAQR-UHFFFAOYSA-N 334.383 2.932 0 50 EFAA CCc1ccc(CN2CCN(Cc3ccccc3F)C(=O)C2)nc1 215918858 PPYDNZHFQOTETP-UHFFFAOYSA-N 327.403 2.628 0 50 EFAA Cc1cc(C)n(-c2cncc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2)n1 378402553 MFNDRJDLJUWNHZ-SJORKVTESA-N 341.459 2.922 0 50 EFAA Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2c(C)noc2n1 13642196 OOUFRFHEDFCJGO-UHFFFAOYSA-N 325.324 2.863 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=S)NC3CCCC3)CC2)cc1 13786084 PAISTJQMTDXUQD-UHFFFAOYSA-N 331.485 2.828 0 50 EFAA CNC(=O)c1ccc(OC)c(C[C@H]2CC(=O)N(c3ccccc3)C2)c1 223292442 FYZKQSWZKHQRCZ-AWEZNQCLSA-N 338.407 2.650 0 50 EFAA COCc1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)o1 82091753 BYNAHGRUCAAJGM-OAHLLOKOSA-N 330.384 2.642 0 50 EFAA CN1CCCN(Cc2c(F)cccc2Cl)CC12CCNCC2 426567153 VMZLUQXXJISMBE-UHFFFAOYSA-N 325.859 2.739 0 50 EFAA C[C@@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCOCC1 426359901 NYNBAOHUJZREDZ-AWEZNQCLSA-N 335.411 2.927 0 50 EFAA Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCCO3)N(C)C)o1 96163871 BZFWVFWUJDVOPW-CQSZACIVSA-N 345.399 2.784 0 50 EFAA Cc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)c(F)c1F 426684408 KOEUVNDOUSFEJO-UHFFFAOYSA-N 338.398 2.646 0 50 EFAA CC[C@@H](C(=O)NCCOc1cccc2ccc(C)nc12)n1cccn1 91461332 MGGKWVMZXVVDBT-INIZCTEOSA-N 338.411 2.886 0 50 EFAA Cn1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(C(C)(C)C)n1 179784400 KFPKEHDKXISZGN-QGZVFWFLSA-N 340.471 2.781 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCCC3(CCOCC3)C1)C2 91550600 NVICNVJWBQSIBD-MRXNPFEDSA-N 345.439 2.666 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)C3CCC3)CC2)cn1 91694811 REOMPENSWJGCEO-CQSZACIVSA-N 329.444 2.606 0 50 EFAA CCCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@H](C)CC)C[C@@H]1C 239591419 BBHMZXGIEQNROY-HLLBOEOZSA-N 345.487 2.810 0 50 EFAA COc1ccc(-c2cc(CN3C[C@]4(CCOC4)CCC3=O)no2)cc1 92062472 ADAVSVTYCPIBDS-LJQANCHMSA-N 342.395 2.879 0 50 EFAA O=C(CSc1ccccc1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244795771 RNDPWFCNMQQMPV-LESCRADOSA-N 342.464 2.672 0 50 EFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC3(CCNCC3)C2)c1 244774250 PQOHWCKFMBXKQP-KRWDZBQOSA-N 329.488 2.556 0 50 EFAA CNc1cc(C)nc(N[C@H]2C[C@H](c3cc(O)nc(C4CC4)n3)C2)n1 253534935 XVVCCWMDKWWHOC-HAQNSBGRSA-N 326.404 2.558 0 50 EFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(C(C)C)nc1C 297730665 KILUQYQRRFYFFG-GOSISDBHSA-N 337.423 2.831 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1 299744419 ORHDLHZGZWBCRX-OAHLLOKOSA-N 341.411 2.648 0 50 EFAA CC(=O)c1cc(CC(=O)NC[C@@H]2Cc3ccccc3CN2C)cs1 299784736 HZIKHPPVUDGFGB-KRWDZBQOSA-N 342.464 2.666 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3sc(C)nc3C)cc2C1 299792999 IGHIFDPLXDCZEY-UHFFFAOYSA-N 347.488 2.502 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)CN(C)CC1(CO)CCOCC1 299772108 XZWHBEMQDHHCBW-UHFFFAOYSA-N 348.487 2.778 0 50 EFAA O=C(CN1CCCCCC1)N[C@H](Cn1ccnc1)c1ccccc1 827995242 ZBDVOQIPYNDPOO-GOSISDBHSA-N 326.444 2.617 0 50 EFAA CC(C)CN1C[C@H](c2n[nH]c(COc3cccc(F)c3)n2)CCC1=O 821236149 PAPGYCDDLPRLRX-CYBMUJFWSA-N 346.406 2.885 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)NCc1cc(C2CC2)on1 584889006 FOBPOSSQDPIIJU-UHFFFAOYSA-N 343.412 2.898 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1nn(C)cc1OC 1412679717 QEMNLYHAAVVDJB-AAEUAGOBSA-N 335.379 2.603 0 50 EFAA Cc1nn(C(C)C)cc1C(=O)N[C@H](C)[C@@H](C)NC(=O)C1CCCCC1 1380369108 AWOXENUZGRCINF-ZIAGYGMSSA-N 348.491 2.976 0 50 EFAA CSCC[C@H](N)C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952988859 LPWXJQXFTIBVLJ-AWEZNQCLSA-N 344.484 2.854 0 50 EFAA O=S(=O)(NCc1cccc2c1OCCCO2)C1CCCCC1 269276969 IUPVBYYHUXSELY-UHFFFAOYSA-N 325.430 2.600 0 50 EFAA CCCOCC(=O)Nc1cc(C(=O)O)c(Br)cc1C 389191121 OHXUYYYRQYKSDC-UHFFFAOYSA-N 330.178 2.821 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)NC1(Cc2ccccc2)CC1 170599489 XOSBIIFDXGZGKN-UHFFFAOYSA-N 348.402 2.564 0 50 EFAA CN(C)[C@H](c1ccccc1)c1nc(CC(=O)Nc2ccccc2)no1 170615947 NXOHFXHCCCPLFU-GOSISDBHSA-N 336.395 2.902 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(F)c1F 274832106 ZVEWRFUQPVBLJV-ZHAHWJHGSA-N 327.302 2.962 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccncn1 276405507 LEMNEOSRNJDMKS-LLVKDONJSA-N 337.210 2.792 0 50 EFAA COC(=O)c1cc2[nH]nc(I)c2cc1Cl 96321157 MNBVUYGQRIXKAI-UHFFFAOYSA-N 336.516 2.608 0 50 EFAA in-vitro C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cn1 189717902 OHGJXMYSSRTWNG-WMLDXEAASA-N 331.464 2.946 0 50 EFAA CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2ccnn2C)c1C 194375112 KMFGUCAJFCAJQS-UHFFFAOYSA-N 334.441 2.663 0 50 EFAA CC[C@H](N[C@@H](CO)C1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 716132829 LBXXPTLAIUCBIX-HOTGVXAUSA-N 326.481 2.773 0 50 EFAA Cc1ccccc1-c1noc(COc2cccc3c2NC(=O)CO3)n1 678716178 NKJLTQVYCPKNGV-UHFFFAOYSA-N 337.335 2.955 0 50 EFAA CCn1nc(C)cc1C(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 678990965 RHJYFYUNISORRB-CYBMUJFWSA-N 339.754 2.560 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(Cc3cc4ccccc4nc3O)CCN21 1616083449 VCCAGIHPRNRUPS-MSOLQXFVSA-N 341.455 2.626 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)ccc1Br 300277 CDTNCNHYFDRDNZ-LLVKDONJSA-N 339.233 2.953 0 50 EFAA Oc1cccc(CN2CCC(NC3CSCCSC3)CC2)c1 1506409400 ZLGIDLIAEZGZMR-UHFFFAOYSA-N 338.542 2.795 0 50 EFAA CCC(CC)n1nccc1NC(=O)[C@H]1CCCCN1C(=O)C1CC1 1506402650 KEHPVVTXKMCNDM-OAHLLOKOSA-N 332.448 2.974 0 50 EFAA CCc1noc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1C 1506411268 HTMNLNUCODOINN-OAHLLOKOSA-N 343.383 2.915 0 50 EFAA O=C(c1ccc(F)cc1)N1C(=S)N=C(O)/C1=C\c1cccnc1 208273 GXUAWGAWHMLSQL-MDWZMJQESA-N 327.340 2.959 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)CC(=O)Nc1ccc(Cl)cn1 1529185471 MYVRHNIHQGOLBA-UHFFFAOYSA-N 335.839 2.578 0 50 EFAA CCN(Cc1nc(C(C)C)no1)Cc1cc(C(=O)O)ccc1OC 1529167683 PVTFNSGJBKYMDT-UHFFFAOYSA-N 333.388 2.922 0 50 EFAA O=c1/c(=C\c2ccco2)sc2nc(-c3ccc(Cl)cc3)nn12 373538 RTANQIQUZGPBQP-XYOKQWHBSA-N 329.768 2.612 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)c2cccc3c2OCC3)C[C@@H]1O 210152062 KLRYZPUAWANQOD-HOCLYGCPSA-N 343.448 2.982 0 50 EFAA CC1=CC[C@H]2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CC3)C[C@H]2C1 216576299 ULWRSIGCMBILFJ-JKSUJKDBSA-N 345.464 2.808 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3ccsc3)C[C@@H]2NC(C)=O)cc1 219338001 SIOBQXPFOYBNBC-SJORKVTESA-N 344.436 2.501 0 50 EFAA CC(=O)c1cnc(NCCC(=O)Nc2ccc(F)cc2C)nc1C 1772703313 WZJGBHMRMPJOPA-UHFFFAOYSA-N 330.363 2.876 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H]2CCCN2C(=O)[C@@H]1C 1772706993 XJDXUUJCARGMST-JKSUJKDBSA-N 343.471 2.752 0 50 EFAA CC(C)=CCC[C@@H](C)N1CCCN(C(=O)CN2CCCCC2=O)CC1 1775983720 SCUMVBAOWMNHCN-GOSISDBHSA-N 349.519 2.668 0 50 EFAA O=C(C[C@H]1CCCOC1)N1CCCN(C(=O)Nc2ccccc2)CC1 1775984095 YUBSKPRISDRJSU-MRXNPFEDSA-N 345.443 2.570 0 50 EFAA COc1ccc(CN2C(=O)O[C@@H]3CN(C4CCCC4)C[C@@H]32)cc1OC 11841001 AZUFUPAZZAWIGG-MAUKXSAKSA-N 346.427 2.651 0 50 EFAA Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12437951 JWWNEKFDXAXRAG-GFCCVEGCSA-N 349.843 2.636 0 50 EFAA Cc1ccnn1CCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12438913 KJSAGRWJJAEROJ-HNNXBMFYSA-N 348.397 2.963 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N(C)C(C)C)nc2)C1 12717981 IAINNDKNOVLGSP-MRXNPFEDSA-N 332.492 2.634 0 50 EFAA O=C(CC[C@@H]1CCCN(CCc2ccccc2)C1)N1CCOCC1 14964018 ZCLVGAPMPJWYCJ-IBGZPJMESA-N 330.472 2.580 0 50 EFAA c1ccc(COc2cccc(CNCCN3CCOCC3)c2)cc1 19872122 KCGISNAWROSYOC-UHFFFAOYSA-N 326.440 2.687 0 50 EFAA CN1CCN(c2ccc(NC(=O)CCCn3cccc3)cc2)CC1 158623270 ZNONIXDUKHZXOG-UHFFFAOYSA-N 326.444 2.659 0 50 EFAA Cc1nc(N[C@@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c2ccsc2n1 1857695051 RQEYMRSHZDQTRB-VNHYZAJKSA-N 332.473 2.909 0 50 EFAA Cn1cc([C@H]2C[C@@H](NC(=O)c3ccc(F)cc3Cl)CCO2)cn1 408517889 OKTBUEBOMCIEMN-SWLSCSKDSA-N 337.782 2.863 0 50 EFAA O=C(NCCOCCO)OCC1c2ccccc2-c2ccccc21 2541578 DUVHQSUZTXSLMW-UHFFFAOYSA-N 327.380 2.534 0 50 EFAA in-vitro CCCN(C(=O)c1cnn(C)c1)[C@H](C)CC(=O)Nc1ccccc1 225740897 FEOFVJKELNDXHT-CQSZACIVSA-N 328.416 2.690 0 50 EFAA C[C@]1(C2CCN(Cc3cc4ccccc4s3)CC2)NC(=O)NC1=O 12124796 HZFVDKAITSSHAA-GOSISDBHSA-N 343.452 2.711 0 50 EFAA CC[C@H](C)C(=O)NCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 248265795 XVHDFSJZZVYUOO-JKOKRWQUSA-N 342.361 2.840 0 50 EFAA CO[C@H](CNC(=O)N1CC2(CCCOC2)C1)c1ccc(Cl)cc1 367469967 OVNFSRXVAZOZAI-OAHLLOKOSA-N 338.835 2.850 0 50 EFAA C[C@H]1c2sccc2CCN1S(=O)(=O)c1ccccc1C(=O)O 903009750 CWGJTSCTJRGKFN-JTQLQIEISA-N 337.422 2.754 0 50 EFAA CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@]2(C)C=CCC2)s1 906079102 XWUXUGJZKKFHMT-CQSZACIVSA-N 343.474 2.515 0 50 EFAA CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 928996463 UBIGXOFVHNPKLP-KBPBESRZSA-N 341.496 2.526 0 50 EFAA COc1ccccc1-c1ccc(N2CCC(n3ccnn3)CC2)nn1 1120914730 UKJGFTOMXLXVIT-UHFFFAOYSA-N 336.399 2.585 0 50 EFAA CC1(c2nnc(-c3ccccc3F)o2)CN(C(=O)OCCCF)C1 952895386 USRIXCBIYYKSIH-UHFFFAOYSA-N 337.326 2.945 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3nc(C)ncc3Cl)C2)o1 952890837 KDZLVQAYNXXRPA-MNOVXSKESA-N 349.822 2.525 0 50 EFAA O=S1(=O)CCCN1[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 1875275045 RUSPFXXIBOTNSV-LBPRGKRZSA-N 349.283 2.603 0 50 EFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCc2cccnc2C1 1875295655 NCONODLXNZXZPL-OAHLLOKOSA-N 336.313 2.719 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CC(=O)Nc3ccccc32)[nH]1 1875265503 JRGPVRUPBMWARL-CQSZACIVSA-N 345.406 2.807 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(C3CCOCC3)c2)cn1 1875381268 PCIYYFHGYDTBSS-GCJKJVERSA-N 327.428 2.577 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC(C)(C)c2nc(C)c(C)s2)CC1 1875365757 WEZUVDIYDHKSDB-UHFFFAOYSA-N 335.473 2.536 0 50 EFAA CC(C)CNC(=O)c1ccc(NC(=O)c2ccc3n[nH]cc3n2)cc1 1875309254 AWXQKMQPEGMSCK-UHFFFAOYSA-N 337.383 2.596 0 50 EFAA Cc1noc(C2CC2)c1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096882 RDPBQWHCKYKAHS-WFASDCNBSA-N 341.371 2.885 0 50 EFAA CC(=O)N1C[C@@H](NCc2cnn(CC(C)C)c2)CC[C@H]1C(F)(F)F 886038214 JRDLCXCZLQISRC-GJZGRUSLSA-N 346.397 2.571 0 50 EFAA OCCn1ccc(NCc2cc(Cl)cc(Br)c2)n1 893362540 ASQQFGDANJTNRJ-UHFFFAOYSA-N 330.613 2.903 0 50 EFAA Cc1cc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)ncn1 1773664241 OMZDKKLAXTWCBK-UHFFFAOYSA-N 344.440 2.799 0 50 EFAA CCc1ccc(C)nc1NC(=O)c1cccn(CC(F)(F)F)c1=O 899258083 BVIKUTMZWGTSSY-UHFFFAOYSA-N 339.317 2.929 0 50 EFAA COc1cccc([C@@H](CC(=O)O)NC(=O)N2CCc3ccccc32)c1 899919393 NUMZWAFLXFCCOZ-MRXNPFEDSA-N 340.379 2.983 0 50 EFAA O=C1CCCN1Cc1ccc(NC(=O)N2C[C@H]3CC(F)(F)[C@@H]3C2)cc1 2325775768 HOVACPCNJOHBGE-UKRRQHHQSA-N 349.381 2.928 0 50 EFAA CN1CCc2[nH]nc(C(=O)N(C)Cc3csc4ccccc34)c2C1 2325810780 DMURKFPKROMWTR-UHFFFAOYSA-N 340.452 2.885 0 50 EFAA Cc1cc(C)n(C[C@@H](O)COc2ccccc2Br)n1 201605 GLLBCWIEZIGBTF-GFCCVEGCSA-N 325.206 2.702 0 50 EFAA O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(Nc2ccccc2)C1 309514 KGHGIYCMPZXSMP-AWEZNQCLSA-N 343.814 2.832 0 50 EFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C 6706858 AMCXCCFPEMOPFY-UHFFFAOYSA-N 332.425 2.772 0 50 EFAA O=C(NC[C@H]1CCCN1C1CCCCC1)c1cccc2c1OCCO2 225497607 UALRSRSAVHHUJS-MRXNPFEDSA-N 344.455 2.985 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n[nH]1 225528276 NCLHGNFIFRJPEW-BZNIZROVSA-N 335.354 2.759 0 50 EFAA CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1c[nH]cn1 55074368 ICCAZVSABCTOAR-SFHVURJKSA-N 327.428 2.805 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1)c1cncs1 67673350 PCYUCPZLKBXWLQ-ZDUSSCGKSA-N 340.452 2.876 0 50 EFAA CCS(=O)(=O)Nc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1 65466444 BOPIZKQEZXIHDG-UHFFFAOYSA-N 342.424 2.824 0 50 EFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1ccncc1C)C2 67695217 VDEYFQJONDPGQK-HNNXBMFYSA-N 342.443 2.684 0 50 EFAA CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C1 248195693 PGEATDKPCYZYNZ-YESZJQIVSA-N 349.475 2.754 0 50 EFAA Fc1ccc2cnc(N3CCC(N[C@@H]4C[C@H]5OCC[C@@H]45)CC3)nc2c1 1074578373 BJAGFVJTBJUKHV-CGTJXYLNSA-N 342.418 2.505 0 50 EFAA C[C@@H]1SCCN(C(=O)CCCCNC(N)=O)[C@@H]1c1ccccc1 118378518 KCPHWEVCVXOONX-BBRMVZONSA-N 335.473 2.530 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)NCCc3cc4ccccc4[nH]3)C2)cn1 136697609 JPCJLYHVKKBCML-HNNXBMFYSA-N 337.427 2.643 0 50 EFAA C[C@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(OCC2CC2)c(F)c1 120043846 HEOYBHJPXGSNNL-TVQRCGJNSA-N 338.404 2.617 0 50 EFAA CC1(C)[C@H](NC(=O)c2ccc(-c3nnc(S)o3)cc2)[C@H]2CCO[C@H]21 230238900 JYBQCNVQCIUTSA-JHJVBQTASA-N 345.424 2.569 0 50 EFAA COCC[C@@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(C)o1 253425621 SJIPTEWWNJLLOH-HZPDHXFCSA-N 335.448 2.545 0 50 EFAA CC1(C)CCN(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 354977913 MZMSUXHORVSVOW-UHFFFAOYSA-N 338.473 2.928 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@H]1N1CCOCC1 281410110 HTWQGLIIVABBHT-AUUYWEPGSA-N 342.414 2.772 0 50 EFAA Cn1ccc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)n1 6828288 ZBJSRVREIZHCSQ-UHFFFAOYSA-N 325.416 2.794 0 50 EFAA CCCOC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 77322523 JHZBJVUSNDOUHG-HNNXBMFYSA-N 349.479 2.527 0 50 EFAA COc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc(C)n1 331918056 LILAVCZYNGGNPC-BBRMVZONSA-N 348.349 2.625 0 50 EFAA Cc1ccc(N2CCC[C@H](NC(=O)c3ccoc3C3CC3)C2)nn1 253395026 LSQKYCQNBDZHND-AWEZNQCLSA-N 326.400 2.654 0 50 EFAA CC(C)Cc1nsc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 253630081 AKTKPKTVSJGYAP-CABCVRRESA-N 338.521 2.916 0 50 EFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC(=O)NC[C@H]1CCCO1 332776607 GZVISAOQXYQSMU-NUJGCVRESA-N 346.471 2.763 0 50 EFAA CN(C(=O)CN1CCOC2(CCC2)C1)c1nc2ccccc2s1 154064331 WKZAVMOXMAARNI-UHFFFAOYSA-N 331.441 2.514 0 50 EFAA O=C([C@@H]1CCN(C2CCCCC2)C1)N1CCC(n2cccn2)CC1 363347634 KHWZCAUIKNQMQD-MRXNPFEDSA-N 330.476 2.701 0 50 EFAA O=C(c1ccc(CO)c(F)c1)N1CC[C@]2(CCc3ccccc3O2)C1 366448682 DRNUZFDRIKNQRQ-HXUWFJFHSA-N 341.382 2.928 0 50 EFAA CC1(C)CN(c2nc(C(F)(F)F)ns2)C[C@@]2(CCCOC2)O1 367461659 ADOPIDYEIBINLK-GFCCVEGCSA-N 337.367 2.721 0 50 EFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)N(Cc1ccncc1)C1CC1 156167533 WVVOUCMAHVICDC-QGZVFWFLSA-N 341.415 2.654 0 50 EFAA CC(=O)c1csc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 172793204 WBXHOGNOAIPPLB-IAQYHMDHSA-N 342.420 2.875 0 50 EFAA CCc1oc(C(=O)N[C@H]2CCOc3c(F)cccc32)cc1C(=O)O 261642125 LAGKSNNIIUSZER-LBPRGKRZSA-N 333.315 2.933 0 50 EFAA CCCOCC(=O)N1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 72423665 KLTWKLZETNBOOK-MRXNPFEDSA-N 346.475 2.518 0 50 EFAA CN(Cc1ccc2nsnc2c1)[C@@H]1CCOC2(CCOCC2)C1 77520501 QYQAICYDMGSPPJ-CQSZACIVSA-N 333.457 2.851 0 50 EFAA Cc1nc(C2CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CC2)no1 131968382 GFFCVTAJUNNLPR-SNVBAGLBSA-N 331.420 2.618 0 50 EFAA COC[C@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CC(C)(C)O1 285659984 YHCGUHQPPGHCAY-OAHLLOKOSA-N 332.375 2.640 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)CCCOCc3ccccc3)C2)n1 223249163 BPMCREDQXVQXFL-UHFFFAOYSA-N 327.428 2.880 0 50 EFAA COC[C@@H](NC(=O)NCC1(O)CCCC1)c1cccc(Cl)c1 290957367 MWLOTCCWRUGIIO-CQSZACIVSA-N 326.824 2.632 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc([S@](C)=O)cc3)C2)c1 175794936 LHMPULBQHUFENW-OWJWWREXSA-N 346.456 2.798 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2cnc(CN3CCCC3)s2)no1 82156165 JLEBURJTXNJWMZ-UHFFFAOYSA-N 349.460 2.518 0 50 EFAA CCOC(=O)N1CCC(NC(=O)Cn2ccc3ccc(F)cc32)CC1 40284365 NJGQMSFGEZOXEN-UHFFFAOYSA-N 347.390 2.518 0 50 EFAA O=C(CCCOc1ccccc1)N[C@H]1CCOC[C@H]1C1CCOCC1 220686842 GWDZZBKXOCPTIH-OALUTQOASA-N 347.455 2.794 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)[C@H]2CCCC(C)(C)C2)(C(=O)O)C1(C)C 263532646 NFEYWOBRDOQVNS-JCGVRSQUSA-N 325.449 2.977 0 50 EFAA CCN1C[C@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)CC1=O 426562813 CGHQVYDFKWPREF-CQSZACIVSA-N 343.452 2.603 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@H](OCc2ccccn2)C1 82106113 WWJSMSRAZZWKPB-QGZVFWFLSA-N 343.427 2.827 0 50 EFAA Cc1cccnc1N1CCC(c2nccn2CCCN(C)C)CC1 95374939 AKTXGESHVYTZRG-UHFFFAOYSA-N 327.476 2.922 0 50 EFAA CCc1ccccc1OC1CN(C(=O)N[C@H](CC)Cn2ccnc2)C1 426501700 CCUVKWCYULNKCQ-MRXNPFEDSA-N 342.443 2.697 0 50 EFAA CCCn1cnnc1CNC(=O)Nc1ccc(C)c(NC(=O)CC)c1 97301311 AQYQYWXTGOGMRI-UHFFFAOYSA-N 344.419 2.667 0 50 EFAA CC(C)c1cc(C(=O)N(C)C[C@H](O)Cc2ccccc2)cc(O)n1 293818969 ZQOQQPVUPNMFBM-MRXNPFEDSA-N 328.412 2.586 0 50 EFAA CC1(C)CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 293865078 CHGDVITUWMRDGN-WFASDCNBSA-N 341.498 2.873 0 50 EFAA Cc1nc(C)n(CCCN2C[C@@](C)(c3ccccc3)CCC2=O)n1 91932175 QYPOPZLVGPGJHX-IBGZPJMESA-N 326.444 2.865 0 50 EFAA CCc1c(C)nn(C)c1NC(=O)NCC[C@@H]1COc2ccccc2O1 95506815 XVIKFQLADVCPFF-CYBMUJFWSA-N 344.415 2.643 0 50 EFAA Cc1ccccc1Cn1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 239038740 DVJAUUHQHCMLBZ-LBTBCDHLSA-N 333.391 2.551 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)cc1 95382419 NAAVZPRDWIHTOG-QGZVFWFLSA-N 330.428 2.577 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](CO)(C(C)C)C2)nc(C(F)(F)F)n1 294761868 NGGJYJJCSXDKGQ-HNNXBMFYSA-N 345.365 2.675 0 50 EFAA C[C@@H]1CCC(=O)N1CC(=O)N(Cc1ccccc1)CC(F)(F)F 95521294 OZASNYFURAFZJF-GFCCVEGCSA-N 328.334 2.588 0 50 EFAA CN(CCOc1cccc(Cl)c1)C(=O)COC[C@@H]1CCCCO1 244633690 GHWMPCPMKBQVFQ-INIZCTEOSA-N 341.835 2.763 0 50 EFAA CCCN(C(=O)[C@@H](C)OCC)C1CCN(C(=O)c2ccccc2)CC1 299602216 CVNZXGWIFUBQIR-MRXNPFEDSA-N 346.471 2.955 0 50 EFAA Cc1cn2nc(N3CC[C@@H](n4cnc5c4CCCC5)C3)sc2n1 299751223 PZHUTPVYLNAVDE-GFCCVEGCSA-N 328.445 2.626 0 50 EFAA CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccccc2F)C1 534642858 FXBWCXFCYASUHL-AWEZNQCLSA-N 328.387 2.553 0 50 EFAA CCN1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CCN(C)CC1 299787378 QKKDCEIJTWGBSO-IBGZPJMESA-N 343.515 2.641 0 50 EFAA Cc1nc([C@H](C)NC(=O)c2cccc(CN3CCCCCC3)c2)n[nH]1 299761603 WUDUQWPMOJNPMT-AWEZNQCLSA-N 341.459 2.980 0 50 EFAA Cc1c(F)cccc1CN1CCC(CNC(=O)c2ccon2)CC1 828228730 HCZHYRFGUBEVBM-UHFFFAOYSA-N 331.391 2.764 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1c(C)noc1C 586163987 PHAXFRUJIOOFOG-UHFFFAOYSA-N 338.429 2.738 0 50 EFAA CN(CCc1cccs1)S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 1423767225 GOIFZWGHAHYBEX-HIFRSBDPSA-N 329.487 2.510 0 50 EFAA O=S(=O)(O)c1nc2c(Br)cc(Cl)cc2s1 65337145 GQWSIKFJVYXVCT-UHFFFAOYSA-N 328.596 2.959 0 50 EFAA in-vitro CCOC[C@H]1CCN(C(=O)c2cnc(Cl)c(Br)c2)C1 408517502 JREPQUWWIZYJFC-VIFPVBQESA-N 347.640 2.996 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(C)CC1 952987788 LINJWUVZSKKEDQ-ZDUSSCGKSA-N 339.867 2.703 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1CCC(CO)(C(F)(F)F)CC1 884999235 JLLSNGCHGVUWQF-VIFPVBQESA-N 334.338 2.558 0 50 EFAA CC(C)(C)c1nc(CC(=O)N[C@H](CO)c2ccc(F)cc2)cs1 271284355 GWKZIHIQOOBKSU-CQSZACIVSA-N 336.432 2.972 0 50 EFAA CNC(=O)CC(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 185722350 OXVURUNMBBVQLQ-UHFFFAOYSA-N 342.786 2.958 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2ccncc2)[C@@]12CCCO2 273589777 SCQFYRFRXPTJPC-BMFAXAFESA-N 345.443 2.655 0 50 EFAA O=C1[C@@H](NCc2ccc(Br)o2)CCN1Cc1ccccc1 276953902 KMHXONDYZKHVLK-AWEZNQCLSA-N 349.228 2.933 0 50 EFAA CSC[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 170591158 BSLCWMABMIIVID-MFKMUULPSA-N 343.290 2.660 0 50 EFAA Nc1nccc([C@H]2CCCN(C(=O)Nc3cccnc3Cl)C2)n1 170616517 LPEYDBBEBKDIIQ-JTQLQIEISA-N 332.795 2.519 0 50 EFAA O=C(Cn1ccc2ccccc21)OC1CCN(c2cccnn2)CC1 170617212 HTNOJNXIMITBFX-UHFFFAOYSA-N 336.395 2.644 0 50 EFAA Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)co1 188903514 WRJGCZYKDJHITP-RBUKOAKNSA-N 347.503 2.997 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H](n2ccnn2)C1 640501739 XUGAOTVFENRLEK-SECBINFHSA-N 328.269 2.523 0 50 EFAA O=C(O)COc1ccccc1CNCc1nncn1C1CCCCC1 1506419525 DSLOXUILWLNWGE-UHFFFAOYSA-N 344.415 2.537 0 50 EFAA Cc1ccc(C(=O)N2CCCN(Cc3nc(C)c(C)n3C)CC2)s1 1529110821 QBNOZMNHMBEVDO-UHFFFAOYSA-N 346.500 2.755 0 50 EFAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1 1704342148 IVBMWSHHISKQBK-INIZCTEOSA-N 325.355 2.501 0 50 EFAA Brc1noc(C2CC2)c1CN1CCc2ncncc2C1 1875319398 ATFNLQGJGMBAMQ-UHFFFAOYSA-N 335.205 2.663 0 50 EFAA Cc1c(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)[nH]c2c(C)cccc12 1772711299 HBTIFGWJZIJCAI-KUHUBIRLSA-N 328.412 2.708 0 50 EFAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 11822046 PVQZBOWWMRPQER-GOSISDBHSA-N 341.459 2.895 0 50 EFAA O=C1CCCCN1c1ccc(S(=O)(=O)NCc2ccccc2)cc1 12002204 DVHVEWUXTBVNBF-UHFFFAOYSA-N 344.436 2.682 0 50 EFAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(N[C@@H]3CCOC3)c12 12149041 BEBFECARJUNZNI-GFCCVEGCSA-N 348.472 2.976 0 50 EFAA O=c1c2cc(-c3cccs3)nn2ccn1C[C@@H](O)c1ccccc1 169758207 HAYDIRSKNANVSH-MRXNPFEDSA-N 337.404 2.958 0 50 EFAA OCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816394 CNZLQLZJJXLUNK-UHFFFAOYSA-N 332.519 2.929 0 50 EFAA COc1ccc2ccc(OC)c(/C=C3/C(=O)N(C)C(=S)N3C)c2c1 4891827 LSZHOHRXCRBJQM-GDNBJRDFSA-N 342.420 2.887 0 50 EFAA COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(OC)cc1C 6703795 FTQXBROXKDJONX-YPMHNXCESA-N 327.446 2.869 0 50 EFAA Cc1cc[nH]c(=N)c1CN[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]12 1857529978 JOVXGCMICOVOKD-KBMXLJTQSA-N 344.256 2.993 0 50 EFAA CCc1oncc1C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 253408200 YOKSSHFUCMDPQI-ZDUSSCGKSA-N 348.472 2.596 0 50 EFAA CCc1nc2ccc(Cl)cn2c1C(=O)N1CCOCC12CCC2 361961666 LLCWZBXWRUIOIW-UHFFFAOYSA-N 333.819 2.945 0 50 EFAA NC(=O)c1ccc(N2CCC[C@H](COc3ccccc3Cl)C2)nn1 158252427 WIZDKHSVWFOBBU-LBPRGKRZSA-N 346.818 2.524 0 50 EFAA Cc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)nc2C)no1 264229685 WHPXQSGGEQAYTR-UHFFFAOYSA-N 328.294 2.765 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)ns1 908973654 LKCDBOQLWGGNIE-UHFFFAOYSA-N 340.351 2.847 0 50 EFAA C[C@H](c1ncccn1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 929883761 BTZWCOIJFWUSBJ-CQSZACIVSA-N 342.418 2.705 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)c1cc(C)nc2cc(C)nn12 844932193 QHCWWTCJGJSNKK-UHFFFAOYSA-N 344.396 2.755 0 50 EFAA C[C@]1(c2ccc(Nc3nccc(=N[C@H]4CCNC4)[nH]3)cc2)CC1(F)F 1875329413 UXIQPYCMTWZPHN-WMLDXEAASA-N 345.397 2.713 0 50 EFAA CC(C)(F)CCc1nc(CCCO)nn1-c1ccc2c(c1)CCO2 1875330886 HCPYZEVCVIFPEV-UHFFFAOYSA-N 333.407 2.808 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cn(C(C)C)cn2)cc1 1875373743 NOHDAUBWHSAHIR-UHFFFAOYSA-N 326.400 2.543 0 50 EFAA O=C(C[C@@H]1CN[C@@H]2CCCC[C@@H]12)Nc1cncc(-c2cc[nH]n2)c1 1875319246 UZIKCUIYOOEMND-ISTRZQFTSA-N 325.416 2.579 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCc2cc(C)cc(C)c2)C1 888077525 GNUGEEZBJNMKPW-IAGOWNOFSA-N 327.428 2.948 0 50 EFAA Cc1ccc(OS(=O)(=O)CCCS(=O)(=O)C(C)(C)C)cc1C 888095459 HVVMMEKDFVYQDP-UHFFFAOYSA-N 348.486 2.615 0 50 EFAA Brc1cnc([C@@H]2CCCN2c2ncnc3c2CCC3)nc1 895718877 SXUPSCHVNUEEOS-ZDUSSCGKSA-N 346.232 2.859 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O)c1ccc(F)cc1 1775956837 RNPWSQGRZWCIDC-USTKFZDKSA-N 333.403 2.617 0 50 EFAA CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H]1OCC[C@@H]1C(=O)O 2332239254 BGULIBZMOZEQNR-DLBZAZTESA-N 347.455 2.984 0 50 EFAA CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 202100 PJYUZFDIEBIFDZ-UHFFFAOYSA-N 340.408 2.545 0 50 EFAA O=C(CCc1ccccc1F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356153564 MEBORUALVQBLOB-LJQANCHMSA-N 327.403 2.988 0 50 EFAA COc1ccc(C)cc1-c1cnc2c(N3CCC(O)CC3)nccn12 2356154077 HMMUPEVFIYDWQM-UHFFFAOYSA-N 338.411 2.674 0 50 EFAA COc1ccc2sc(C(=O)N3CC[C@](C)(C(N)=O)C3)c(C)c2c1 225446619 KDGRYLKVHNXPCR-KRWDZBQOSA-N 332.425 2.556 0 50 EFAA Cc1cc(C)n(-c2ncnc3c2cnn3-c2ccc(F)c(F)c2)n1 9184275 MCHOHTWHFHKRPS-UHFFFAOYSA-N 326.310 2.896 0 50 EFAA CCCCNC(=O)N1CCC(Cn2cc(-c3ccccn3)nn2)CC1 23231617 HBVBUOFGEJDZDJ-UHFFFAOYSA-N 342.447 2.562 0 50 EFAA O=C1NCCCC[C@@H]1N1CCO[C@H](c2ccc(F)cc2Cl)C1 248575716 SZUSHCRFGJBHII-GJZGRUSLSA-N 326.799 2.521 0 50 EFAA Cc1cnccc1CN(C)C(=O)C(C)(C)NC(=O)c1cccs1 67919819 SNEHSQCZWJWCGY-UHFFFAOYSA-N 331.441 2.619 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 249690705 KMHXOLDOBJADCR-HZPDHXFCSA-N 330.428 2.547 0 50 EFAA Cc1nnsc1CN(C)CCC(=O)Nc1nc2ccccc2s1 65372045 KWWHQFDEKXQODJ-UHFFFAOYSA-N 347.469 2.917 0 50 EFAA C[C@@H]1CCCN(C(=O)CCN2CCC(CCn3cccn3)CC2)C1 65530649 JYGCQOGXOSEYPK-QGZVFWFLSA-N 332.492 2.634 0 50 EFAA COCCc1cc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n(C)n1 119162206 UARLYJPUPDAVSD-CXAGYDPISA-N 328.416 2.834 0 50 EFAA CCOCCN1CCN(C[C@H](O)c2ccc(C(C)C)cc2)C[C@H]1C 252331371 ULDMMZMJYPDHNN-XLIONFOSSA-N 334.504 2.886 0 50 EFAA C[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)C[C@@]2(CCCOC2)O1 253432208 WZHOLRUUDYPTQM-OXQOHEQNSA-N 339.439 2.842 0 50 EFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)CSc1ccncc1 67688637 IBBLVQXWOXCGER-OAHLLOKOSA-N 327.453 2.911 0 50 EFAA CCc1[nH]c2c(CNC(=O)[C@@H](C)n3cncn3)cc(F)cc2c1C 71589722 GEAIUVLTZRWRRK-LLVKDONJSA-N 329.379 2.647 0 50 EFAA O=C(CSc1cccc[n+]1[O-])NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21 123087615 DHSPFOASQBDPIJ-GPMSIDNRSA-N 340.448 2.504 0 50 EFAA CO[C@@H](C)c1noc(CN(C)Cc2cncc(C(F)(F)F)c2)n1 361318433 LWWCHDOPHKTSKF-VIFPVBQESA-N 330.310 2.823 0 50 EFAA O=C(NCc1ccc2sccc2c1)c1ccc(-n2cnnc2)nc1 71422428 JFGUYCICPJFWJY-UHFFFAOYSA-N 335.392 2.807 0 50 EFAA Cn1ncc2c1C[C@@H](C(=O)N(CC(F)F)c1ccc(F)cc1)CC2 282340341 UZAIHWMCOYBRHL-NSHDSACASA-N 337.345 2.962 0 50 EFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3c(s1)CCCCC3)C2 72154780 FJWUMIBOHCGJMU-UHFFFAOYSA-N 343.452 2.607 0 50 EFAA O=C(Nc1n[nH]c2ccc(F)cc12)[C@H]1CC[C@@H](c2ccccc2)O1 377704376 RRJRPQMRBQULPA-JKSUJKDBSA-N 325.343 3.561 0 50 EFAA CCc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)s1 128601709 FMTHIBBJNOCOQS-XYPHTWIQSA-N 334.485 2.522 0 50 EFAA COCC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)O 262326074 TXJIXNFZLHTCGR-LBPRGKRZSA-N 334.199 2.532 0 50 EFAA Cc1cccc(C)c1NC(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 72132053 ZBSOQJRBOUMJQQ-KRWDZBQOSA-N 344.503 2.984 0 50 EFAA Cc1cc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)c2cnn(C(C)C)c2n1 263048624 RYKYHJPBXIMZJX-SFHVURJKSA-N 346.431 2.940 0 50 EFAA CC[C@H](C)Nc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 72144728 COEKPKRTKZPWOJ-LBPRGKRZSA-N 325.416 2.654 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cc(-c3ccc(C)cc3)no2)C1 284645585 PBIBYVUMHJXWNO-PBHICJAKSA-N 339.399 2.730 0 50 EFAA Cc1ccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)o1 174857922 KYNDUJXBGLVBRW-SFHVURJKSA-N 342.439 2.763 0 50 EFAA Cc1ccc(N2CC[C@H](CNC(=O)Cn3cnc4ccccc43)C2)cc1 220011277 LGWQRRIXEDMMDX-QGZVFWFLSA-N 348.450 2.987 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCCN2c3ccccc3C[C@H]2C1 290561394 NJERMSAIYANLNW-PKOBYXMFSA-N 327.472 2.524 0 50 EFAA Cc1ccc(CCNC(=O)c2ccc(N3CCN(C)CC3)cc2)s1 223600579 UCAVIISXOYCDNC-UHFFFAOYSA-N 343.496 2.781 0 50 EFAA CC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ncnn1C 220012460 AWAAESIRVYKOKT-LBPRGKRZSA-N 326.322 2.644 0 50 EFAA Cc1oc2c(c1C(=O)N1Cc3ccccc3[C@@H](O)C1)C(=O)CCC2 82133471 GCRWJZZPKJSVEX-HNNXBMFYSA-N 325.364 2.796 0 50 EFAA C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCn1cccc1 82083172 WXQKUGPNVNGMMJ-CQSZACIVSA-N 345.830 2.796 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)n1 178737959 FOYKPUVBLCCYBM-KDOFPFPSSA-N 342.443 2.590 0 50 EFAA CN1CCCN(C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1 96137215 HSKAEQAVZVYSCC-FQEVSTJZSA-N 338.451 2.883 0 50 EFAA CN(C)c1ccc(CCNC(=O)[C@H](c2ccccc2F)N(C)C)cc1 91746193 FSZJNLWZUYYKNU-IBGZPJMESA-N 343.446 2.853 0 50 EFAA COCCCN1CC[C@H](CNC(=O)Nc2ccc3scnc3c2)C1 96140382 LXHIQZJCPRRROK-CYBMUJFWSA-N 348.472 2.776 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(F)cc1 91677363 YNZQAACVILIDLO-DLBZAZTESA-N 339.370 2.774 0 50 EFAA Cc1[nH]c2c(c1C(=O)N1CCC[C@@H](Cn3ccnc3)C1)C(=O)CCC2 91288618 HNMGTUXLYQXZDN-AWEZNQCLSA-N 340.427 2.591 0 50 EFAA CCN(CC)[C@H](CNC(=O)c1nnn(C(C)C)c1C)c1ccco1 292391366 XETAABLMJNXWMB-CQSZACIVSA-N 333.436 2.573 0 50 EFAA Cc1nc(NCCc2noc(-c3ccccc3)n2)c2nc(C)oc2n1 91410551 PDQCUMKVNGMRFX-UHFFFAOYSA-N 336.355 2.939 0 50 EFAA CN1CCC(N2CCN(Cc3ccc4cc(O)ccc4c3)CC2)CC1 97756413 UONUBLATKWRYPF-UHFFFAOYSA-N 339.483 2.757 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2N)c1 92080445 BXZVKHNWIBYEIV-MSOLQXFVSA-N 335.407 2.743 0 50 EFAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NS(C)(=O)=O)cc1 91391262 BRTZMIDFSWKGQF-OAHLLOKOSA-N 333.457 2.743 0 50 EFAA O=C(NCCN1CCCc2ccccc21)c1cc(-c2ccccn2)n[nH]1 97463653 YYUFXNRSWOBZTI-UHFFFAOYSA-N 347.422 2.654 0 50 EFAA Cc1nn(C(C)C)cc1CN1CCCNC(=O)[C@H]1Cc1ccccc1 293791273 ZUSBYTFDNCNFMT-LJQANCHMSA-N 340.471 2.706 0 50 EFAA C[C@H](NC(=O)N1CCC2(CCC(=O)N(C)C2)CC1)C1CCCCC1 91943910 XBPNRJGRGOOYIT-HNNXBMFYSA-N 335.492 2.999 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)N2CCOCC2)C1 91288646 LSNSEGYTPYOBOT-IBGZPJMESA-N 346.427 2.512 0 50 EFAA COc1nc2ccccc2cc1-c1ccc(CS(C)(=O)=O)cn1 97814940 WVBMTPLFECSSGV-UHFFFAOYSA-N 328.393 2.850 0 50 EFAA CN(Cc1ccccc1)C(=O)C1CCN(CCc2ccccn2)CC1 244787961 QGZFYQAXPIHLCU-UHFFFAOYSA-N 337.467 2.995 0 50 EFAA COCCCOCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 181433016 HIAWZEJOXOBSOC-UHFFFAOYSA-N 332.227 2.931 0 50 EFAA CC1(C)C=C(CSc2ncccn2)c2cccc3c2N1C(=O)C3=O 253495546 ITHNGGXUJVGMBK-UHFFFAOYSA-N 337.404 2.974 0 50 EFAA CC1(C)C[C@H](NC(=O)c2cc3c(cc2F)NC(=O)CC3)C(C)(C)O1 183108932 ODCKOSNFFSMTJJ-AWEZNQCLSA-N 334.391 2.786 0 50 EFAA CCOC[C@@H](NC(=O)NCc1noc(-c2ccccc2C)n1)C(C)C 298154302 BFQIIPCWVCEAFZ-OAHLLOKOSA-N 346.431 2.905 0 50 EFAA O=C(O)CCN(C(=O)[C@H]1CCCc2ccccc21)C1CCOCC1 299746881 BNKWXIJDZXNLDP-KRWDZBQOSA-N 331.412 2.589 0 50 EFAA Cc1c(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)cnn1C(C)C 299746651 YWHJQCRWOJGKNF-DLBZAZTESA-N 328.416 2.770 0 50 EFAA CC(C)c1cc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)on1 299759475 SCOPDKVIBWKUFA-UHFFFAOYSA-N 330.310 2.823 0 50 EFAA CC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(noc2C)C[C@@]1(C)O 820551630 WJFPHIALWKFGEJ-IPMKNSEASA-N 328.412 2.693 0 50 EFAA C[C@@H]1O[C@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@@H]2[C@H]1O 584904267 GUBBGFQZZOLTHG-OYKRQWJZSA-N 342.391 2.792 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)c1cc(-c2ccccn2)[nH]n1 670437265 VBANJQQEKQOCSV-UHFFFAOYSA-N 344.378 2.587 0 50 EFAA CCc1noc(C)c1C(=O)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 940216170 DFCXORVPXDEPJH-OAHLLOKOSA-N 345.443 2.576 0 50 EFAA O=C(O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104171 KNUZGRRNSZSNKS-UHFFFAOYSA-N 345.358 2.659 0 50 EFAA Cc1cc2c(=O)[nH]c(-c3cnc(OCC(F)(F)F)cn3)nc2s1 170610887 JVKBVNDSYNLSOL-UHFFFAOYSA-N 342.302 2.691 0 50 EFAA O=C(Nc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)c1)C1CCCCC1 191574707 JFXPVALKEMTRJF-HOTGVXAUSA-N 344.411 2.542 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 192045841 FXLDHSOVJOZRQN-RHSMWYFYSA-N 348.834 2.738 0 50 EFAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1nc2cccnc2s1 193999538 BYMOYOSVUIBFTD-CQSZACIVSA-N 339.420 2.935 0 50 EFAA O=C([C@H]1OCCc2ccccc21)N1CCN(c2cccc(F)c2)CC1 676722372 CQXVZVKQVDHFFV-IBGZPJMESA-N 340.398 2.788 0 50 EFAA Cc1c(-c2cc(COC(=O)/C=C/c3ccc(O)cc3)on2)cnn1C 767448381 BHWGQWWSWFWLNK-VMPITWQZSA-N 339.351 2.846 0 50 EFAA Cc1ccnc(SCC(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)n1 1506423311 UYLBRNKSSTXSES-UHFFFAOYSA-N 343.412 2.715 0 50 EFAA NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1CCCO1 1052411 CGZHVBVZZHGJDB-CQSZACIVSA-N 330.409 2.555 0 50 EFAA CCC[C@H]1CN(Cc2cc(C(=O)OC)ccc2OC)C[C@@H]1N(C)C 222068095 YSQBVOVKDIXNQL-RDJZCZTQSA-N 334.460 2.644 0 50 EFAA Cc1cc(N2C[C@H]3COC[C@@H](C2)CN3C)nc2ccc(Cl)cc12 1704304380 DRDJJZVUYTWGOB-HIFRSBDPSA-N 331.847 2.963 0 50 EFAA Cc1cccc2nc([C@@H]3CCCN3c3nnc(CN(C)C)o3)[nH]c12 1772702555 TVBIQKKCILUVEA-ZDUSSCGKSA-N 326.404 2.657 0 50 EFAA CN(CC(=O)Oc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 14468074 ZKVFZIZWNNQGLC-UHFFFAOYSA-N 339.800 2.566 0 50 EFAA c1ccc([C@@H]2O[C@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 14886501 IHXGBIRUYZZCIT-MJJLTSLDSA-N 326.348 2.940 0 50 EFAA Cc1cc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc(C)c1Cl 15684916 QGQDKOATNVCHBW-QLFBSQMISA-N 327.852 2.806 0 50 EFAA CCNc1nc(C)c(C(=O)NCc2ccc(OC)c(OC)c2)s1 19594890 UYNLFODIDKCEET-UHFFFAOYSA-N 335.429 2.831 0 50 EFAA O=C(c1ccncc1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1 19782038 GYGNZWPWVIYTCZ-UHFFFAOYSA-N 347.422 2.741 0 50 EFAA CC=CCS(=O)(=O)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 1857530922 CLCNLLSEHSUZJW-CQSZACIVSA-N 329.849 2.898 0 50 EFAA CSCc1cc(F)ccc1CNC(=O)NC[C@@H]1CC[C@H](O)C1 225586304 KDDRLIYDWIFGLQ-ABAIWWIYSA-N 326.437 2.649 0 50 EFAA Cc1cccc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)n1 435568934 VWVGMOKSSXNOID-OAHLLOKOSA-N 342.468 2.631 0 50 EFAA N[C@H](C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccccc1 238006257 HBIJBKZDKOVPFH-SJORKVTESA-N 330.815 2.940 0 50 EFAA CO[C@@H](CNC(=O)c1cc(Br)cc(C(=O)O)c1)C(C)C 262635523 GBTNRRPAYSNLPK-LBPRGKRZSA-N 344.205 2.548 0 50 EFAA CCOC(=O)N(C)C1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 495607751 ZFBKEKRBIMXACE-OAHLLOKOSA-N 346.427 2.501 0 50 EFAA Cc1cc(-c2noc([C@@H]3CCCCN3S(C)(=O)=O)n2)ccc1F 904400253 FWNSSJRMLMWTKF-ZDUSSCGKSA-N 339.392 2.671 0 50 EFAA Cc1c(O)nc2ccccc2c1C(=O)NCC1(O)CCC(C)CC1 826751001 LTSUWUCQKLSEAY-UHFFFAOYSA-N 328.412 2.920 0 50 EFAA C[C@H]1CN(CC(F)(F)c2ccc(F)cc2)C[C@H]1N1CCOCC1 952994204 NIHYJDWPDJLMKG-XJKSGUPXSA-N 328.378 2.570 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2Cc2ccc(-n3cccn3)cc2)nc1 1875282384 BBYBLFRZHKJATN-QGZVFWFLSA-N 349.394 2.698 0 50 EFAA Cc1ccc(C(F)(F)F)c(OS(=O)(=O)c2cnnn2C(C)C)c1 1875305872 LFLPWLFPUVVOJE-UHFFFAOYSA-N 349.334 2.954 0 50 EFAA CC[C@H](C)CS(=O)(=O)NCc1nnc(C2CC2)n1-c1ccccc1 1775989745 RDTOKLJZGUQFLR-ZDUSSCGKSA-N 348.472 2.610 0 50 EFAA CO[C@@H](CS(=O)(=O)Nc1c(O)cc(F)cc1F)C1CCCC1 1775990113 JZLNLGMVDIVODI-ZDUSSCGKSA-N 335.372 2.617 0 50 EFAA C/C=C(\C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1coc(CC2CC2)n1 1775996909 MMBHPLXOOPFOBO-BYDLAGSTSA-N 333.432 2.606 0 50 EFAA CCOc1cc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)ccc1OC 1775960764 YGDHJFUQVDYTDE-HUUCEWRRSA-N 331.416 2.779 0 50 EFAA C[C@@]1(CNC(=O)c2ccc(Br)c(Cl)n2)CCOC1 1776005858 KKHTYMMRRVTJQS-LBPRGKRZSA-N 333.613 2.654 0 50 EFAA NCc1ccc2c(c1)CCC[C@@H]2Nc1nccc(-c2cnccn2)n1 2325772748 YGFOSLSSZQDWAY-INIZCTEOSA-N 332.411 2.882 0 50 EFAA CC[C@H]1CCCN(C(=O)c2cc(-c3nc(=O)o[nH]3)ccc2C)CC1 2325850131 MXXRCAFDXIIUTQ-ZDUSSCGKSA-N 329.400 2.991 0 50 EFAA CN(C)[C@@H](CN=c1nc2sccc2c(N)[nH]1)c1cccc(F)c1 2325857026 MIUNRKIZNUCEAX-ZDUSSCGKSA-N 331.420 2.549 0 50 EFAA Oc1nc(O)c2c(n1)CN(Cc1nc(-c3ccccc3)cs1)C2 2325866673 VXXFCUDLHHJWEE-UHFFFAOYSA-N 326.381 2.527 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 97708 FQKKNHZWZFBASU-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)ccc2OC)CC1 178136 GOPBKGWGUGTQSQ-UHFFFAOYSA-N 348.443 2.607 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@@H](Sc2nccc(C)n2)C1=O 299753 LXDALZXLDAYNOU-CQSZACIVSA-N 343.408 2.608 0 50 EFAA CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)cc1 303372 OBYWUJPYPDARAK-IBGZPJMESA-N 325.364 2.522 0 50 EFAA CN1CCC[C@@]2(CCCN2Cc2ccc(Cn3cccn3)cc2)C1=O 2356165916 LAXBIOHPFXIIDA-HXUWFJFHSA-N 338.455 2.518 0 50 EFAA CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1ccc(-n2cnnn2)cc1 55271206 CMDDXLIVLOTJCE-AWEZNQCLSA-N 339.399 2.942 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nc3ccccc3n2C)c1 225728047 GZXAINUKKRGPEY-DNVCBOLYSA-N 337.423 2.890 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 55271228 DPTOFSOUNQXMIG-FQEVSTJZSA-N 345.487 2.579 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1NC(=O)c1ccco1 55413054 WSTMWMYVSLQRPY-OAHLLOKOSA-N 341.411 2.616 0 50 EFAA CCN(CC)CCC[C@@H](C)NC(=O)CC(=O)Nc1ccc(C)cc1 55197976 GWHHURRBKYAKGJ-MRXNPFEDSA-N 333.476 2.950 0 50 EFAA COC(=O)[C@@H](CCSC)NCc1cnc(-c2cccc(C)c2)nc1 55100303 JKMATJIUNFJNRH-MRXNPFEDSA-N 345.468 2.836 0 50 EFAA COCC(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67675317 XRQOXAPWVSWJRU-UHFFFAOYSA-N 333.409 2.797 0 50 EFAA CC(C)c1noc([C@@H]2CCCN(C(=O)CCc3csc(N)n3)C2)n1 20877794 KHZJPTBBSJWSJI-LLVKDONJSA-N 349.460 2.571 0 50 EFAA CC[C@H]1CCCCN1C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 248501677 WWNWPYDFAZUNOT-ZWKOTPCHSA-N 334.435 2.990 0 50 EFAA C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@]2(CCCOC2)O1 253432200 WUBSKOKRGZYYPN-ZBEGNZNMSA-N 326.343 2.767 0 50 EFAA O=C(Cc1noc2ccccc12)NCc1ccccc1-n1ccnc1 67910200 IWKICPZZBHLKJI-UHFFFAOYSA-N 332.363 2.872 0 50 EFAA CC(=O)NCC1=CCCN(Cc2cccc(-n3nc(C)cc3C)c2)C1 65399368 RKQDEJZIMCVLEX-UHFFFAOYSA-N 338.455 2.757 0 50 EFAA CC[C@H](Cc1ccccc1C)C(=O)NCCn1cnnc1C1CC1 424684138 RGIRPHNOAUOJCY-OAHLLOKOSA-N 326.444 2.849 0 50 EFAA CS[C@@H](C)CC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 251903269 SRAUYRAWAZNWCD-JSGCOSHPSA-N 341.546 2.873 0 50 EFAA CC[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCN1C(C)C 67696437 OLRISSYBLVFZJU-KRWDZBQOSA-N 325.460 2.843 0 50 EFAA Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)o1 252490649 KYLWFOQFGUZNAM-KYADXKRESA-N 329.352 2.568 0 50 EFAA CN(Cc1csc(-c2ccoc2)n1)[C@H]1CCC[C@H]1S(C)(=O)=O 252517308 FGCGOTJZBVJXKC-UONOGXRCSA-N 340.470 2.801 0 50 EFAA O=C1NC[C@H](c2ccc(Cl)cc2)Cc2[nH]c(-c3ncc[nH]3)nc21 67676817 SKEDGFJNKSLNGZ-SNVBAGLBSA-N 327.775 2.523 0 50 EFAA CN(C)C(=O)N1CC[C@]2(CCCN(CCOCc3ccccc3)C2)C1 67692728 XTEPDQMOZLKQPC-FQEVSTJZSA-N 345.487 2.673 0 50 EFAA CCn1c(C)cc(C(=O)NCCN2CCc3ccccc3C2)c1C 30317921 NZFPKJFVLLGAEV-UHFFFAOYSA-N 325.456 2.913 0 50 EFAA COC(=O)c1sccc1NC(=O)c1cc(C(F)(F)F)nn1C 2766993 PACMJHYHQNIHSX-UHFFFAOYSA-N 333.291 2.539 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)on1 328632943 LPKVSOKMYUNMLK-INIZCTEOSA-N 328.416 2.505 0 50 EFAA CCC(CC)n1nccc1C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 328611129 KNSWHRQCBSNHOA-UKRRQHHQSA-N 347.419 2.538 0 50 EFAA O=C(O)C1(Oc2ccc(Cl)cc2)CCN(C2CCOCC2)CC1 77518712 JQOPGHXPIXXNNZ-UHFFFAOYSA-N 339.819 2.817 0 50 EFAA Cc1c(NC(=O)c2cc(O)cc(O)c2)cnn1-c1ccccc1F 152843755 QUMISTSTFAJLET-UHFFFAOYSA-N 327.315 2.983 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC3CCCCCC3)ccc21 77375340 CKPADLOMUXHPCS-UHFFFAOYSA-N 345.443 2.819 0 50 EFAA O=C(Nc1cccc([C@@H](O)CO)c1)Nc1nc2c(s1)CCCC2 241739133 RAGUUNMCTINTMY-ZDUSSCGKSA-N 333.413 2.692 0 50 EFAA CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(Cl)ccc32)CC1 32094041 XKHCTBJEWJRTLP-UHFFFAOYSA-N 349.818 2.595 0 50 EFAA C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1ccc2ccccc2c1F 332503456 DWZCECYDXWZZKF-STQMWFEESA-N 337.416 2.760 0 50 EFAA O=C(COc1ccc2c(c1)CCC2)N1CCc2ccccc2[C@@H]1CO 127217062 WRAQLWOJXDOWJM-FQEVSTJZSA-N 337.419 2.672 0 50 EFAA C[C@@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)C1CCOCC1 127992710 JIDAFANMTHULOZ-SNVBAGLBSA-N 333.413 2.570 0 50 EFAA CCc1cc(NCCNC(=O)c2ccccc2Cl)n2nccc2n1 72420162 YBDSMUREHNSBME-UHFFFAOYSA-N 343.818 2.787 0 50 EFAA Cc1nc2c(c(N[C@H]3CCO[C@H](c4ccnn4C)C3)n1)CCCC2 333753577 YDZADYNIBUEWLN-GUYCJALGSA-N 327.432 2.730 0 50 EFAA CC(C)[C@H]1CN(c2ncccn2)CCC(=O)N1Cc1ccc(F)cc1 71755101 HWNQDLTZJUPMKA-QGZVFWFLSA-N 342.418 2.879 0 50 EFAA C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN)o2)CCN1Cc1ccccc1 237586411 QMTAHJVYXWMNOR-NVXWUHKLSA-N 341.455 2.863 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)CCc1ccccc1C(=O)O 262247544 VBCISHHUNRDFGX-UHFFFAOYSA-N 325.364 2.915 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCC[C@@H](O)c3cc(F)ccc32)[nH]1 375471616 LTWPYZOISGSPFM-QGZVFWFLSA-N 331.391 2.689 0 50 EFAA CN1C[C@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)CC1=O 77516261 MCLFMYDLGVWSLQ-MRXNPFEDSA-N 338.407 2.916 0 50 EFAA CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)c2ccccc21 284607520 AWHWPHFFLHMKJT-ZQIUZPCESA-N 338.455 2.953 0 50 EFAA NCC[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCO1 223002660 VKQAVYYHWOZKML-GOSISDBHSA-N 326.396 2.669 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@@]3(C)C(=O)O)c2)cc1 263456752 PFZIXWXFXVBULQ-IBGZPJMESA-N 340.379 2.837 0 50 EFAA C[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 263432705 KZLOLSYDAYUTFR-GUYCJALGSA-N 345.370 2.747 0 50 EFAA O[C@@H](COCc1cccs1)CN1CC[C@@H](Nc2ccccc2)C1 229969166 IEVTVBQDHRNPCR-IAGOWNOFSA-N 332.469 2.812 0 50 EFAA CCOC[C@H](O)CNC(=O)c1cccc(-c2cccc3[nH]ccc23)c1 426495538 AGAKKRIDIVJEFO-MRXNPFEDSA-N 338.407 2.962 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1nccn1C)C2 426535131 KKMORFFFBWZRQT-HALDLXJZSA-N 325.412 2.584 0 50 EFAA Cc1ccc(CCNC(=O)CCCc2nc(-c3cccnc3)no2)o1 426491555 QQGALYOFLNRMQA-UHFFFAOYSA-N 340.383 2.715 0 50 EFAA CC[C@H](O)c1cc2n(n1)CCCN(Cc1csc(C(C)=O)c1)C2 221333406 DTNOLSVFWBACIG-INIZCTEOSA-N 333.457 2.997 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(SC)cc1)C2 91848232 DKYZDEYABIACMT-GDBMZVCRSA-N 349.500 2.983 0 50 EFAA CCc1csc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)n1 95366366 HGAMGEDFNXKSKC-ZDUSSCGKSA-N 333.457 2.827 0 50 EFAA CN1CCC[C@]2(CCN(CC(=O)Nc3ccc4c(c3)CCC4)C2)C1 293133459 ZZJSWEJKWIOVFN-FQEVSTJZSA-N 327.472 2.532 0 50 EFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@@H](CNC)C2)c(OC)c1 237175440 XCMSBBFISVRZTK-NBUZRDOWSA-N 332.444 2.565 0 50 EFAA Cc1ccc(SCCCN(C)C(=O)CN2CCCCC2=O)cc1 95500979 OXFZVQNBEKBLTG-UHFFFAOYSA-N 334.485 2.948 0 50 EFAA Cc1nn(C(C)C)c(C)c1CNC(=O)[C@H]1COc2ccccc2C1 95528798 SYHQDHDDBFCSOT-MRXNPFEDSA-N 327.428 2.948 0 50 EFAA Cn1ncnc1[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1 91745463 JLABWXQZIHECQK-AFRKLYKTSA-N 328.460 2.989 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1C(=O)O 91325932 FOJHPJNJADIHKO-JKSUJKDBSA-N 345.468 2.818 0 50 EFAA CN1CCC[C@H](CCC(=O)N2CC(OCc3ccccc3F)C2)C1 95383576 PHDMEHFTEHGNBG-OAHLLOKOSA-N 334.435 2.675 0 50 EFAA O=C(NC1CCOCC1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 180673899 AYKXLXFXSKEUGV-GFCCVEGCSA-N 341.814 2.536 0 50 EFAA O=C(Nc1ccc(-n2nccn2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 180660874 FFTDGBCGYYUFDK-MRXNPFEDSA-N 337.387 2.750 0 50 EFAA COc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1NC(C)=O 239359532 AENRZSGHMYLWQO-ZTFGCOKTSA-N 332.444 2.947 0 50 EFAA CCCCn1nc(Cn2cncn2)nc1-c1csc(C(C)=O)c1 95531224 DQUQLOPUEQMJGD-UHFFFAOYSA-N 330.417 2.649 0 50 EFAA CN(C)c1nc(NCc2cccc(CN3CCCC3)c2)ncc1F 95390656 NWZRXWVCDZZAGY-UHFFFAOYSA-N 329.423 2.890 0 50 EFAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@H]4[C@H](O[C@]1(C(C)C)[C@H]42)[C@@H]3O 238899613 GUWVOQWNTPKYFK-PISGLMJJSA-N 327.424 2.644 0 50 EFAA CCN1CCC(CNC(=O)N(CC)Cc2ccccc2)(N(C)C)CC1 534577372 HTHRFQVNWWGMKR-UHFFFAOYSA-N 346.519 2.634 0 50 EFAA Cc1ccc(O)c(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)O)n1 534585572 NDSCWGAHBNBDFB-KRWDZBQOSA-N 337.379 2.588 0 50 EFAA Nc1nscc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1 299773444 BHCZENWEUXWNDB-OAHLLOKOSA-N 348.447 2.821 0 50 EFAA Cc1ccc(NC(=O)CCNC(=O)[C@H](C)n2nc(C)cc2C)c(C)c1 828055671 LELDONATMALBGO-INIZCTEOSA-N 342.443 2.823 0 50 EFAA CCOC(=O)c1cc(-c2ccc(C(=O)N(C)CCOC)cc2)c(C)[nH]1 584901261 AGJZQYSZNCAWJA-UHFFFAOYSA-N 344.411 2.885 0 50 EFAA Cc1ccc(Cn2nc(C)nc2C[C@H]2NC(=O)c3ccccc32)cc1 670448466 JNFKLSDYAMRHHC-GOSISDBHSA-N 332.407 2.970 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1c(Cl)cncc1Cl)C2 1565510172 SBRDHZUWHQQKAU-OLZOCXBDSA-N 344.286 2.931 0 50 EFAA C[C@@H]1Oc2ccc(NC(=O)c3cccn3C3CC3)cc2N(C)C1=O 952977137 OYPXOJCFSIZXCL-NSHDSACASA-N 325.368 2.819 0 50 EFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2Cc3ccccc3C2)cc1 185708449 SNRLLPBOMDXRHY-FQEVSTJZSA-N 348.446 2.770 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CC(C)(C)O2 275357930 AQCPTCXWRBZFSK-RDJZCZTQSA-N 327.428 2.753 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(C)n(C)n1 170597931 BUIPCKHNNKIWIO-UHFFFAOYSA-N 344.234 2.600 0 50 EFAA COc1cc(C(=O)NCc2nc(-c3cccs3)n[nH]2)ccc1F 170668244 FWCSDODMYNCVAO-UHFFFAOYSA-N 332.360 2.611 0 50 EFAA O=C(NCC1CCOCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 171323606 GILFPMZQDHQMMU-MRXNPFEDSA-N 346.427 2.731 0 50 EFAA CCOc1ccccc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 192213336 LABKFUPRGIYNFD-HNNXBMFYSA-N 331.441 2.749 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1 195123280 RIWKIPHXDAHKOF-HNNXBMFYSA-N 334.460 2.802 0 50 EFAA C[C@H](CNC(=O)N1CCC(c2cccc(F)c2F)CC1)C(=O)O 655883412 ZDGOAESLNJOYHA-SNVBAGLBSA-N 326.343 2.575 0 50 EFAA C[C@H](C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)C1CCCC1 674078469 MYINUVSINLKBMJ-INIZCTEOSA-N 340.471 2.805 0 50 EFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(C)n2C)cc1 762369282 GAGCLZOSDLOMQH-UYAOXDASSA-N 342.439 2.854 0 50 EFAA O=C1CN([C@@H]2CCN(c3ccccc3)C2)CCN1C1CCCCC1 1506420618 ALLVEJOYWXXXLG-LJQANCHMSA-N 327.472 2.742 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ccc(N)nc2)C[C@@H](c2ccccc2)O1 1529161595 LSSFJBGSRSOBJL-SJORKVTESA-N 325.412 2.902 0 50 EFAA CCOc1ncccc1C(=O)N1CC[C@H](c2sccc2C)[C@@H](O)C1 209803963 UHXKNYLCCWAVPW-ZFWWWQNUSA-N 346.452 2.841 0 50 EFAA COc1ccccc1OCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 213011886 JMOKVMGNNBBZLI-GUTXKFCHSA-N 341.411 2.916 0 50 EFAA O=C(COc1ccc(Cl)cc1Br)NC[C@@H]1CCCO1 436210 JJZRLGDHHXRSMI-JTQLQIEISA-N 348.624 2.777 0 50 EFAA CN(CC1CCN(Cc2ccccc2)CC1)C[C@H]1CCC(=O)N(C)C1 1772807964 DGIIJMICMARFLZ-HXUWFJFHSA-N 343.515 2.699 0 50 EFAA O=C(c1c(Cl)ccc2ncccc12)N1CCc2c(O)ncnc2C1 1775979903 PSYXGIFPWDGJFQ-UHFFFAOYSA-N 340.770 2.582 0 50 EFAA CN(Cc1ccco1)Cc1nnc(SCc2ccncc2)n1C 11785436 RTHGIDYUKQKVBE-UHFFFAOYSA-N 329.429 2.727 0 50 EFAA COc1ccccc1NC(=O)c1ccc(Cl)cc1-n1cnnn1 12389945 ORHRHQJUQWHLJD-UHFFFAOYSA-N 329.747 2.577 0 50 EFAA CCCN1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835341 KBYRJQLFUMUNLE-LJQANCHMSA-N 339.435 2.950 0 50 EFAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCO 13912309 QYBXRFWLQYXAPC-LFZNYWNYSA-N 340.504 2.951 0 50 EFAA in-vitro C[C@@H](Cn1nnc2ccccc21)C(=O)[C@H](C)Cn1nnc2ccccc21 15772141 LJGIAHHKJLOVJR-OKILXGFUSA-N 348.410 2.718 0 50 EFAA CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1OC 18179407 FMJXOYASCHHXLB-ZDUSSCGKSA-N 333.413 2.596 0 50 EFAA CN1c2cc(C(=O)NC3CCCCC3)ccc2C(=O)N2CCC[C@H]21 169765816 VQXQRGPEQAXKEU-KRWDZBQOSA-N 327.428 2.761 0 50 EFAA CCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1 2816743 CVDOSDIPWHHSAG-SSZFMOIBSA-N 342.395 2.975 0 50 EFAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(C)(C)C)cc1 4870147 NWCSJSCQVUXHSL-OAHLLOKOSA-N 341.415 2.823 0 50 EFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cc[nH]c1 1857737238 CKTAOGANFNFSBV-YESZJQIVSA-N 345.830 2.612 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1C(=O)O 219336513 BXFAWIXZYUJMQZ-MSOLQXFVSA-N 338.407 2.649 0 50 EFAA Cc1c(CNC(=O)N[C@@H](c2ccccc2)c2nccs2)cnn1C 121992000 UUCHFYYUDLLFDY-HNNXBMFYSA-N 341.440 2.774 0 50 EFAA O=C(C[C@]1(C(=O)O)CCOC1)N1CCC[C@H]1CCCc1ccccc1 634918517 SNABFPDYWBLGLQ-YLJYHZDGSA-N 345.439 2.882 0 50 EFAA C[C@]1(CNC(=O)Nc2ncc(C3CCCCC3)s2)CCC(=O)N1 333481017 HHJVZHYACXEKTB-MRXNPFEDSA-N 336.461 2.981 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 337157783 QOLUBJVQNREDRD-GUDVDZBRSA-N 331.456 2.624 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H]1CC[C@H](O)CC1 248626516 FVXUIIPXRDZKBT-BZUAXINKSA-N 332.444 2.718 0 50 EFAA C[C@H]1OCCN(C(=O)c2ccc(Cl)cn2)[C@@H]1c1nc(C2CC2)no1 671596734 XGUMKHZDMOHNBN-RNCFNFMXSA-N 348.790 2.598 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 353188183 LQYUUHGFPDWHGA-KBPBESRZSA-N 331.334 2.558 0 50 EFAA CCOC(=O)[C@@](C)(O)CN1CCC[C@H]1c1nc2ccccc2s1 253428502 LDPQJFGTOAESDK-GUYCJALGSA-N 334.441 2.747 0 50 EFAA Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3Cl)CCO2)n1 156735827 CPVWYPCHXVCZON-NHYWBVRUSA-N 348.834 2.545 0 50 EFAA O=C(N1CCC[C@H](c2nn[nH]n2)C1)C1(Cc2ccccc2Cl)CC1 372611589 KBQWTQKZOGZZQA-ZDUSSCGKSA-N 345.834 2.582 0 50 EFAA CON(C)C(=O)CNCc1ccc(-c2nc3ccccc3s2)o1 397526308 QBNQECPWFXXBQC-UHFFFAOYSA-N 331.397 2.666 0 50 EFAA C[C@H](NC(=O)c1ocnc1C(F)(F)F)[C@@H]1C[C@H](C(=O)O)C1(C)C 902029016 HXPCOONKKIQSTM-BIIVOSGPSA-N 334.294 2.559 0 50 EFAA O[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2)CC[C@H]1O 902646036 DGSMKVGHAVVCIN-ZSOGYDGISA-N 348.668 2.857 0 50 EFAA O=C(c1cnc(O)c2ccccc12)N1CCc2nc[nH]c2C12CCC2 829071214 YXMPDLQVMYLBQC-UHFFFAOYSA-N 334.379 2.741 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc2nc(O)oc2c1 1259387603 OOVAJDLTYGXGMH-AWEZNQCLSA-N 344.392 2.808 0 50 EFAA O=C(O)[C@H]1[C@H]2CC[C@@]1([C@H]1CCCN(C(=O)c3coc(C4CC4)n3)C1)C2 1875277564 QSCFWLBBEIYPBF-AEVLCDIHSA-N 344.411 2.905 0 50 EFAA COc1cc(CNC(=O)c2cc3c(o2)CCCNC3=O)ccc1Cl 1875283729 CPBXNCCTSUZMSN-UHFFFAOYSA-N 348.786 2.548 0 50 EFAA CC(C)(C)[C@H](NC(=O)c1cc(C(F)(F)F)cs1)c1nc(=O)o[nH]1 1875285362 LDFDKWCUKQPCGR-MRVPVSSYSA-N 349.334 2.960 0 50 EFAA O=C(NC1CC1)c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4CO3)n2)cc1 1875306322 ADBJETCXVOWKCY-IPYPFGDCSA-N 325.368 2.726 0 50 EFAA O=C(/C=C/CN1CCCC1)N1CC[C@H](Oc2cc(F)cc(F)c2)C1 1875337919 JEZMOLIFVNQOTE-CWDCEQMOSA-N 336.382 2.597 0 50 EFAA CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC/C=C/c1ccc(F)cc1 1775956859 JEJJNUPIRGOPQV-YKTDSXCKSA-N 342.418 2.665 0 50 EFAA CCc1cnc(NS(=O)(=O)c2sccc2C2OCCO2)s1 1775993647 UEGPFWLLMBQKPX-UHFFFAOYSA-N 346.455 2.613 0 50 EFAA Cc1nc(C)c(C)c(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)n1 1775959076 GIPYJWWPXXWEMH-KGLIPLIRSA-N 328.420 2.730 0 50 EFAA CCc1occc1C(=O)N1C[C@H](OC)C[C@H]1COc1cccnc1 1775957415 SXTMPWQRQGRXQH-DZGCQCFKSA-N 330.384 2.546 0 50 EFAA O=C1NC[C@@H](c2nc(C[C@H]3COc4ccccc43)no2)c2ccccc21 897086805 MGSOIRQGMJWRRW-BLLLJJGKSA-N 347.374 2.664 0 50 EFAA COc1ccc2c(c1)c([C@@H]1NC(N)=Nc3nc4ccccc4n31)cn2C 4623179 FIZWMCLQSFCKDM-QGZVFWFLSA-N 346.394 2.633 0 50 EFAA Cn1nc(C2CC2)nc1CC(=O)Nc1ncc([C@@H]2CCCCO2)s1 2325782371 SUEMUXQGWCQTEX-NSHDSACASA-N 347.444 2.572 0 50 EFAA NC(=O)c1cccc(Oc2ccc(NC(=O)C3CC(F)C3)nc2)c1 2325871776 ZCQXGBLPSYWAPL-UHFFFAOYSA-N 329.331 2.659 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCCCOCCc1ccccc1)CC2 245665483 DTCZLWVPVTVCLW-OALUTQOASA-N 345.487 2.514 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1072155 XHEPTZZZFBOOGH-QGZVFWFLSA-N 336.391 2.876 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3ccncc3)C1)CC2 2356152969 KIKVZQIWOVLEMH-FQEVSTJZSA-N 336.439 2.619 0 50 EFAA O=C1N(CCCOc2ccccc2)c2ccccc2C12OCCO2 8046850 HMPSKDBGZWETFX-UHFFFAOYSA-N 325.364 2.702 0 50 EFAA CCC1(CC)CN(c2ccccc2S(=O)(=O)CC)CC[S@]1=O 225523302 NOCFYCCWBOBBEP-OAQYLSRUSA-N 343.514 2.608 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225678614 MKOPFUZAFISAKB-GJZGRUSLSA-N 330.359 2.948 0 50 EFAA CC(=O)NCCN(Cc1ccc(F)cc1F)C1CCSCC1 225788189 TZUGDTOXTRBYAO-UHFFFAOYSA-N 328.428 2.799 0 50 EFAA CCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3CC)C2)s1 9224775 GMEFZRBHYJJMAS-LBPRGKRZSA-N 344.440 2.970 0 50 EFAA CCSc1nc(CC(=O)NCC[C@H]2CCCCN2C)cs1 55120571 FBOZNLZJPVHHAC-CYBMUJFWSA-N 327.519 2.788 0 50 EFAA O=C(NCc1ccsc1Br)N1CC[C@H]2CC[C@@H](C1)N2 418149855 BXWBWHPHUNXAHF-MNOVXSKESA-N 344.278 2.547 0 50 EFAA CCSc1nc(CC(=O)NCCCNc2cccnc2)cs1 55100269 VSGVJUNTFJCQNB-UHFFFAOYSA-N 336.486 2.811 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NCCc2cccnc2)cc1 55270179 OLLJHVIQETUCHT-UHFFFAOYSA-N 325.412 2.722 0 50 EFAA CN(C)CCNCc1ccc(OCc2ccc3c(c2)OCO3)cc1 23114613 DFLWPPKCPVUONO-UHFFFAOYSA-N 328.412 2.646 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)C3(N4CCCC4)CCCC3)C2)n1 65410520 VPDUTGHCILFNBH-KRWDZBQOSA-N 330.476 2.682 0 50 EFAA O=c1c2ccccc2ncn1CCc1nc(CCc2ccccc2)n[nH]1 65395028 REIABTZXMSHTDX-UHFFFAOYSA-N 345.406 2.543 0 50 EFAA CCc1cc(N[C@@H](CC)c2ccccn2)nc(N2CCOCC2)n1 65408131 IXYLDHXFQWTPQO-HNNXBMFYSA-N 327.432 2.834 0 50 EFAA CN(C)CCOc1ccccc1CN1CCC[C@@H](c2ccn[nH]2)C1 67714338 PQGXHHOCZIAURX-MRXNPFEDSA-N 328.460 2.730 0 50 EFAA O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21 67630957 ICHMCGKFMKGUGL-LLVKDONJSA-N 340.379 2.553 0 50 EFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)C1CCCC1 11667969 MRCCGIXTQVLKOM-UHFFFAOYSA-N 338.455 2.962 0 50 EFAA CN(CCCN1CCCC1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 253426045 FNJRXAWMEYFVLA-UHFFFAOYSA-N 344.459 2.528 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H](COC)c1ccccn1 216083313 HNTGTMGWVSZYMF-GOSISDBHSA-N 344.459 2.956 0 50 EFAA CCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCCSC 4986870 KKZRQSYTNQBIOG-AWEZNQCLSA-N 349.452 2.869 0 50 EFAA CCn1nccc1C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 215823791 VPBWHASJVDWYFC-UHFFFAOYSA-N 335.411 2.894 0 50 EFAA C[C@H]1CCCN(C(=O)c2csc(Br)c2)[C@H]1C(=O)O 235639828 FSHSPOXMOATLBF-OIBJUYFYSA-N 332.219 2.836 0 50 EFAA CCN1C[C@]2(CCCN(C(=O)c3cc(CC(C)C)no3)C2)CCC1=O 72476683 MHWIJTJYAMKPEO-IBGZPJMESA-N 347.459 2.738 0 50 EFAA O=C(c1ccc(SCCO)cc1)N1CCC[C@H](c2ncc[nH]2)C1 77322813 XTGSLFHGSNIQCI-AWEZNQCLSA-N 331.441 2.514 0 50 EFAA O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCOCC2(CCC2)C1 363962449 BVPMKJYGLAPJGY-IBGZPJMESA-N 342.483 2.928 0 50 EFAA Cc1cc(NCc2ccc(-n3cncn3)cc2)n2nc(C)c(C)c2n1 72425300 CBSGWXAJGNIEKY-UHFFFAOYSA-N 333.399 2.847 0 50 EFAA CC(C)c1ccc([C@@H](N)CNC(=O)c2n[nH]c3c2CCCC3)cc1 152003367 OSSICPXKKHSEFW-INIZCTEOSA-N 326.444 2.842 0 50 EFAA Cc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)s1 364100287 IAINPMXSSAURIC-UHFFFAOYSA-N 341.440 2.727 0 50 EFAA CCN(c1ccccc1OC)S(=O)(=O)c1ccc(CC(=O)O)cc1 360873041 PWKQGKNOOUDMBG-UHFFFAOYSA-N 349.408 2.538 0 50 EFAA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(C(=O)O)n1 362527876 GTLAJIGPIMELIZ-BONVTDFDSA-N 348.786 2.939 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCC[C@H]1[C@H](O)C(F)(F)F 128062801 WYBAICWEVRKATN-ONGXEEELSA-N 346.330 2.644 0 50 EFAA O=C(Cc1ccc(CO)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71776714 MYLNWICRPPHFPM-GOSISDBHSA-N 345.826 2.975 0 50 EFAA O=C(NC[C@H]1CCCS1)[C@@H]1CCCCN1C(=O)c1cccs1 131644722 WWTHCSFEHOVDON-OLZOCXBDSA-N 338.498 2.755 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 237776977 NOBMBJSKYSUOLF-HNNXBMFYSA-N 345.317 2.841 0 50 EFAA O=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2ncccn2)CC1 77341172 QQMNSILCLMKHPU-UHFFFAOYSA-N 333.775 2.633 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(-n2cncn2)c1 156887681 MNEGREBBHSXPIE-MRXNPFEDSA-N 336.399 2.585 0 50 EFAA Cc1ccc(Cn2nccc2NC(=O)NCc2ncccc2C)o1 157308746 VKVJZLYMWWXGDN-UHFFFAOYSA-N 325.372 2.858 0 50 EFAA CCc1nc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cs1 239667658 BRBWNRJDFNGFEW-RDJZCZTQSA-N 344.484 2.950 0 50 EFAA COc1ccc([C@H]2OCC[C@@H]2NCc2nc3ccccc3n2C)cn1 284851644 XLKAHXMFNVTGFB-HNAYVOBHSA-N 338.411 2.597 0 50 EFAA Cc1nc([C@@H]2CCCCCN2C(=O)c2cnn(CC(C)C)c2)no1 378622071 WSRKXAIGQHBMIX-HNNXBMFYSA-N 331.420 2.988 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)C1 263134147 YRZYFCLOLUPSTE-QWHCGFSZSA-N 344.333 2.666 0 50 EFAA CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCN(C)CC2 41128012 FHABINBGFOPHTJ-MRXNPFEDSA-N 330.428 2.575 0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 263332528 LVANPXOWCCHHFN-NXEZZACHSA-N 349.337 2.538 0 50 EFAA CCOc1ncccc1C(=O)N1CCC[C@H](OCc2cccnc2)C1 82136902 GYQYESDPXWUOLS-INIZCTEOSA-N 341.411 2.697 0 50 EFAA Cc1cnccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 192505266 NUODUTJPFBYVTQ-UHFFFAOYSA-N 329.831 2.935 0 50 EFAA Cn1cc(-c2noc(C[C@@H](O)CC(C)(C)C)n2)c(C(F)(F)F)n1 292910973 DARFQKBIUTYRNO-MRVPVSSYSA-N 332.326 2.829 0 50 EFAA Cc1c([C@H](C)NC(=O)c2cc(C(C)C)n[nH]2)cnn1-c1ccccn1 91486792 QROKAWMSDHCTHD-LBPRGKRZSA-N 338.415 2.913 0 50 EFAA CCOc1ccc(CN(CCOC)C(=O)Nc2cnn(C)c2C)cc1 96166797 JXTHPVRYRUNYOB-UHFFFAOYSA-N 346.431 2.808 0 50 EFAA Cn1c(Cn2ccnc2)nnc1C1CCN(CC2CCCCC2)CC1 92065944 PSCZHGPAGFMLPC-UHFFFAOYSA-N 342.491 2.820 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)NCCCOC1CCCC1)CC(=O)N2 97522177 NQQLQKRLFSEOAY-INIZCTEOSA-N 346.427 2.587 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)c2sc(C)nc2C)CC1 91770091 FTQNZJAOQHSJDO-UHFFFAOYSA-N 348.472 2.623 0 50 EFAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)N[C@@H]1CCCNC1=O 95531328 XMZQLBUNXSIBGA-SNVBAGLBSA-N 335.713 2.759 0 50 EFAA CN1CCN([C@H]2CCN(Cc3ccc4cccc(Cl)c4n3)C2)CC1 97474971 NBHJFVPVESZZTI-KRWDZBQOSA-N 344.890 2.710 0 50 EFAA COc1ccc(CNC(=O)c2cc(C)n3nc(C)cc3n2)c(F)c1F 97578824 IQEDNLWKAUBVQY-UHFFFAOYSA-N 346.337 2.563 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)n(C)n1 91474124 HUXHWURZMNMRBL-UHFFFAOYSA-N 342.443 2.697 0 50 EFAA CCc1nc(C)sc1CNC(=O)CC1=CSC2=NCCCN12 244594191 DHXHSELJTKBXMM-UHFFFAOYSA-N 336.486 2.670 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc(-c2ccco2)on1 299217015 HJIYFUOHAFJBTA-KSSFIOAISA-N 342.399 2.905 0 50 EFAA Cc1csc(NC(=O)[C@@H](C)N2CCC(CCn3cccn3)CC2)n1 252488629 IVUWVXGQXRFVTG-CQSZACIVSA-N 347.488 2.777 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H](c2ccn[nH]2)C1 184513473 HYBMFIBKAHAVHK-CYBMUJFWSA-N 343.435 2.918 0 50 EFAA CCn1ccc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)cc1=O 299787465 MFFXLRKLVAGMRN-UHFFFAOYSA-N 326.396 2.512 0 50 EFAA CCN1CCC[C@]2(CCCN(C(=O)c3c(C)[nH]c(C(=O)O)c3C)C2)C1 299762620 VMRACZHRKLMVNL-IBGZPJMESA-N 347.459 2.668 0 50 EFAA C[C@@H](C(=O)NCCc1nc2c(s1)CCC2)n1cnc2ccccc21 299793289 IIJWYSFVNGIJRV-LBPRGKRZSA-N 340.452 2.901 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CCc3csc(N)n3)CC2)c1 828014923 BYWLPBVQRKXZCJ-UHFFFAOYSA-N 344.484 2.752 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](OC)c2ccccc2)c1 824504168 SOTUMMDCSSPEAM-GOSISDBHSA-N 342.395 2.906 0 50 EFAA CCOc1ccc(C)cc1S(=O)(=O)N[C@H](CC)c1ncc(C)[nH]1 823387178 IGHOYUHGXVADAR-CYBMUJFWSA-N 337.445 2.855 0 50 EFAA C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1336234949 KUEAIGMFXGPSCI-QZZDSHNUSA-N 343.467 2.772 0 50 EFAA O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1c1ccc2c(c1)OCO2 1565515735 TVNBQFOHDYHKER-SJORKVTESA-N 329.371 2.905 0 50 EFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CCc1scnc1C 1565530866 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2.613 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1OC 19789444 MZIALNXCXISMGP-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2Cn2cccn2)C1 1857528960 ONFMZNAWWUPTGS-DWRORGKVSA-N 339.439 2.659 0 50 EFAA Cn1c(SCCCC(C)(C)C)nnc1[C@@H]1CCS(=O)(=O)C1 225436581 KIXZCAYPBPLNJX-LLVKDONJSA-N 331.507 2.636 0 50 EFAA Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@@](C)(C(=O)O)C1 237659180 MVXUWQSGLKHSRU-GOSISDBHSA-N 344.436 2.979 0 50 EFAA COc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)c2ccc(F)cc2)cc1 262673377 XTQZZTHYWUHAFI-YESZJQIVSA-N 343.354 2.761 0 50 EFAA CS(=O)(=O)c1ccc(CN[C@@H]2CCOC23CCCC3)cc1Cl 903161908 YBMCLDZBXMUJNL-OAHLLOKOSA-N 343.876 2.935 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNCCc3cccc(Cl)c3)C2)n1 952889968 JOBXJTLEYBWKRC-SQWLQELKSA-N 335.835 2.718 0 50 EFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccc(F)c1F 952890621 WUJZUJQHEPBFDT-GFCCVEGCSA-N 335.310 2.754 0 50 EFAA C[C@@H](C(=O)Nc1cc(Br)ccc1-c1nn[nH]n1)C1CC1 1875273681 APLYJKOTSUTZCJ-SSDOTTSWSA-N 336.193 2.614 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1C1CCNCC1 1875393254 BOUWCBVVOQIHGM-MDZRGWNJSA-N 342.487 2.695 0 50 EFAA CC[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 1875341740 FTDGHHJTLIHZBU-UGUYLWEFSA-N 344.521 2.858 0 50 EFAA C[C@@H]1CC[C@H](C(=O)NC2C[C@@H]3CN(c4ncncc4Cl)C[C@H]3C2)C1 1875338904 PUNZWLWUABLLDX-XJFOESAGSA-N 348.878 2.897 0 50 EFAA O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 96236 QQPSIMCQRQXJSW-INIZCTEOSA-N 328.799 2.804 0 50 EFAA CCn1nc(C)nc1[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 2100542649 CCUQRURTWQQJSX-SJORKVTESA-N 328.416 2.656 0 50 EFAA O=C(c1cnn2c1CNCC2)N1CC[C@H](c2cccc3ccccc23)C1 2325799168 ZFMYGKYSDUMHHR-INIZCTEOSA-N 346.434 2.769 0 50 EFAA Cn1nc(-c2ccccc2)nc1Cn1cnc(-c2ccccc2)cc1=O 2325821534 WUXAOTKYQXYDTR-UHFFFAOYSA-N 343.390 2.754 0 50 EFAA CCOc1cc(CN2CCC[C@H](C(=O)N(CC)CC)C2)ccc1O 241758 GZXYHQSQVWGXEB-INIZCTEOSA-N 334.460 2.871 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1 133850738 UIEJVDPLIIHMMP-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@@H]3C4(C[C@]2(C)[C@@]31C)OCCO4 100806511 FWIFBGVWIAMUTB-OZOSWLFCSA-N 343.423 2.861 0 50 EFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100740862 QPKTYWFPPOLACH-SDADXPQNSA-N 325.364 2.563 0 50 EFAA CC(C)(C)SCCNC(=O)CCNC(=O)c1ccc(F)cc1 55414134 IXBHYDGIBGSMAV-UHFFFAOYSA-N 326.437 2.594 0 50 EFAA COc1ccc(CN2CCN(C3CCC3)C[C@H]2CCO)c(C)c1C 104367843 XDPHBKOALKJHGT-LJQANCHMSA-N 332.488 2.733 0 50 EFAA C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cnn2ccccc12 345426546 DHZRYKGPHQBSOE-AWEZNQCLSA-N 338.386 2.824 0 50 EFAA O=C(c1cccs1)N1CCC(n2cc(-c3cccnc3)nn2)CC1 20451028 OYKCQDQPANFHEE-UHFFFAOYSA-N 339.424 2.879 0 50 EFAA COc1ccccc1-c1nc(CN2C[C@H](CO)OC(C)(C)C2)cs1 420949846 WVNMPPLGKVTXJR-CQSZACIVSA-N 348.468 2.790 0 50 EFAA Cc1ccc2oc(C(=O)N[C@@H](C(=O)O)c3c(C)n[nH]c3C)c(C)c2c1 67817020 VOESYUUQSCZYML-OAHLLOKOSA-N 341.367 2.945 0 50 EFAA CCCn1nccc1NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 112674578 JKDPEYWLUTUHQJ-KRWDZBQOSA-N 342.443 2.523 0 50 EFAA CC(=O)N1CCCC[C@@H]1C1=CCCN(CCn2cc(Cl)cn2)C1 65405780 FUGWZLUZTULXME-QGZVFWFLSA-N 336.867 2.570 0 50 EFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](CCN)C1 67675219 MEZBXMJBIWHNSZ-OAHLLOKOSA-N 335.835 2.853 0 50 EFAA Cn1nccc1N1CCC[C@H](NCc2ncc(C(C)(C)C)s2)C1 253427313 LRAWJNNWLAITAP-ZDUSSCGKSA-N 333.505 2.933 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cnn1-c1ccccn1 73544477 OLMCXIHUBBJMQS-GOSISDBHSA-N 348.406 2.789 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1n[nH]c2c1CCC2 328632739 SCFZWKHHYGYMMI-LLVKDONJSA-N 330.457 2.855 0 50 EFAA CCc1noc2ncc(C(=O)N3CC4(CCOCC4)[C@H]3C3CC3)cc12 329297760 LBUKETXJROHXLX-MRXNPFEDSA-N 341.411 2.816 0 50 EFAA CN(Cc1cccc(OCCN2CCCCC2)c1)Cc1ncc[nH]1 215438620 FANQMAHLQFFFCJ-UHFFFAOYSA-N 328.460 2.906 0 50 EFAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl 281715908 GCKUBDURGZXZPT-ZANVPECISA-N 329.227 2.709 0 50 EFAA CCc1nc([C@@H]2CCCN2CC(=O)N2CCC[C@H]3CCCC[C@H]32)no1 253605414 WHRKXHYYFSAYGL-OAGGEKHMSA-N 346.475 2.950 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)Cc2cc(C)[nH]n2)cc1OC 152768434 DINXKPXSLXZJNO-OAHLLOKOSA-N 329.400 2.642 0 50 EFAA O=C(C[C@H]1COCCN1C[C@H](O)c1ccc(F)cc1)c1ccccc1 152731664 HHEUZBQIMJIRKB-ICSRJNTNSA-N 343.398 2.833 0 50 EFAA COc1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 30852975 DKNQKWLNXMAKLQ-UHFFFAOYSA-N 326.396 2.780 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3c[nH]c(=O)cc3C)nc2c1 126342006 PWMCLAVWJBULGM-MRXNPFEDSA-N 336.395 2.845 0 50 EFAA CCc1ccc(OS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 153882868 YTJWYEIOBCBVKI-UHFFFAOYSA-N 348.424 2.581 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2cnc(-c3ccccc3)[nH]2)c1 363549449 PPGLNPCFTYXPJT-UHFFFAOYSA-N 345.366 2.613 0 50 EFAA CCc1ccccc1NC(=O)CN1CCCC[C@@H]1CN1CCCC1=O 363525035 KHDAJWKULDYTQN-QGZVFWFLSA-N 343.471 2.664 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@H](O)c2ccccc2Cl)nc1 120530821 HDEJZKNXAOWAFK-MRXNPFEDSA-N 333.819 2.695 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccc1)Nc1cccc2c1CNC2=O 376771833 JOPBYUYTYLAKOV-UHFFFAOYSA-N 333.351 2.964 0 50 EFAA O=C([C@@H]1CC12CCNCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 261960507 RRZQQQIILAMIES-HNNXBMFYSA-N 338.455 2.659 0 50 EFAA CC(C)(C)OC(=O)c1cnc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cn1 456240099 CKBIVCILXADKBO-XJKSGUPXSA-N 343.427 2.693 0 50 EFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C(=O)O)CC1 237491347 DSLHKIOHYLTWJJ-SECBINFHSA-N 329.755 2.570 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2occc2COc2ccccc2)C1 237654969 BEFPXSVXCIKLKM-SFHVURJKSA-N 329.352 2.795 0 50 EFAA CN(C)c1ncc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 72156914 VWKNABIWJHCVJY-UHFFFAOYSA-N 345.878 2.514 0 50 EFAA CC[C@@H]1CC[C@H](C)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 456796403 HLXKQMIGPDCVBZ-ZWKOTPCHSA-N 344.503 2.631 0 50 EFAA C[C@@H](N)C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 493120810 RBBRNBHSXJKHBC-RXNUUUNCSA-N 327.222 2.641 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)c1scc2c1OCCO2 219796988 XCUZOXIKWPZGLC-UHFFFAOYSA-N 336.438 2.785 0 50 EFAA COC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)N2CCC[C@@H]12 14944196 VEWGPGAAIZSOKU-ROUUACIJSA-N 328.456 2.679 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282451374 HHCULSICIWUTTJ-SJORKVTESA-N 347.361 2.850 0 50 EFAA O=C(NC[C@@H]1OCCc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 378523562 RURCVLOQTTZCSJ-MSOLQXFVSA-N 340.427 2.960 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cccnc3)C2)no1 77521427 XYSAUZNBAVHTOW-CQSZACIVSA-N 327.384 2.928 0 50 EFAA CC[C@H](NC(=O)c1cccc(-n2cnnc2)n1)c1nc(C)c(C)s1 71762371 OFSUNXWLNHHYEK-LBPRGKRZSA-N 342.428 2.617 0 50 EFAA CC(C)(C)OC(=O)NC[C@](C)(NCc1nc(C(F)F)no1)C1CC1 497283830 DQTNKAUOEMUGTC-HNNXBMFYSA-N 346.378 2.790 0 50 EFAA O=C(CCCc1c[nH]c2ccccc12)N1CCC(n2cnnc2)CC1 220033877 RYCOPURZHFSAAZ-UHFFFAOYSA-N 337.427 2.946 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)c2onc3c2CCCC3)cc1 426445166 VJNVLKOTBQTRQF-UHFFFAOYSA-N 336.395 2.978 0 50 EFAA Cc1ccn(CCC(=O)N2CCCC[C@H]2CCc2ccccn2)n1 223353859 AVIASETVZLGRCA-SFHVURJKSA-N 326.444 2.991 0 50 EFAA COCc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc1 426403566 RQHRNHANVOHUAU-ZIFCJYIRSA-N 333.428 2.632 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)NC[C@H]1CCCCO1 426445165 VJIGXCFMPVEWBS-QGZVFWFLSA-N 346.406 2.722 0 50 EFAA CCc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)o1 20783000 WDDWYDQAMCYYEE-IBGZPJMESA-N 342.483 2.953 0 50 EFAA COc1ccnc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 426647876 FFROXQUBTXUKDD-INIZCTEOSA-N 343.402 2.624 0 50 EFAA CN(C)c1ncc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cn1 178901304 PUYHKKGRXAIAPD-HZPDHXFCSA-N 341.415 2.584 0 50 EFAA COc1ccc(-c2ccc(SCC(N)=O)cc2)c(OC)c1OC 96152507 FWVXODGCGFOWCS-UHFFFAOYSA-N 333.409 2.957 0 50 EFAA C[C@H](NC(=O)NC[C@@]1(O)CCOC1)c1cccc(Cl)c1Cl 179594702 PLOGOCTVJSLYMI-XPTSAGLGSA-N 333.215 2.505 0 50 EFAA CCOc1ccc(OCc2nc(-c3cnn(C)c3)n(CC)n2)cc1 96153543 XEJPSUAIEATDKB-UHFFFAOYSA-N 327.388 2.676 0 50 EFAA O=C(c1ccc(SCCO)cc1)N1CCC[C@](CO)(CC2CC2)C1 91646061 JTNZNRQKSWBNEE-IBGZPJMESA-N 349.496 2.786 0 50 EFAA Cc1cccc(O)c1NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 179560203 YIPYHDRLWRQVHF-KRWDZBQOSA-N 340.423 2.930 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCO1 238059639 CWOQBWVGCCCICQ-KRWDZBQOSA-N 325.364 2.669 0 50 EFAA O=C1CCC[C@H](Cc2nc(COc3ccc(Cl)c(F)c3)no2)N1 293468627 ZQGDROLMNLXNPQ-SECBINFHSA-N 339.754 2.652 0 50 EFAA CC[C@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1nc(C)c[nH]1 96141549 BAQNEOLRONCXCS-ZDUSSCGKSA-N 345.403 2.958 0 50 EFAA CCCn1cc(C(=O)NC2CCN(Cc3ccccc3C)CC2)cn1 180716791 DBTDHKPTAGAQIP-UHFFFAOYSA-N 340.471 2.996 0 50 EFAA O=C(O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CCC[C@H]1[C@H]3[C@]42C(=O)O 247449733 ZKDVHTYVHJEFEP-LYQUYTMFSA-N 328.408 2.726 0 50 EFAA O=C(CCn1ccnn1)N1CCc2ccc(-c3ccccc3)cc2C1 295538218 XHWJYDSHGGRVRR-UHFFFAOYSA-N 332.407 2.920 0 50 EFAA O=C(CN1CCCC[C@H]1CCn1cccn1)NCc1cccs1 240163584 JCCBGQTZLYSKPP-HNNXBMFYSA-N 332.473 2.506 0 50 EFAA O=C(NCC[C@H]1CCCCO1)[C@H]1CCCN(C(=O)c2ccccc2)C1 181570153 IMXWGZSOGYRSHX-ZWKOTPCHSA-N 344.455 2.614 0 50 EFAA Cc1cccnc1/C=C/C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 184259693 SQZGZBFVVLRWSH-XVJNWHFHSA-N 337.427 2.805 0 50 EFAA 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O=C1N[C@@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CS1 408512962 TYVXINVYZAVQCL-LLVKDONJSA-N 347.421 2.764 0 50 EFAA O[C@]1(C(F)(F)F)CCN(c2cncc(OC3CCCCC3)n2)C1 185464859 PNKNFDXFPAAKRY-CQSZACIVSA-N 331.338 2.692 0 50 EFAA COCc1ccnc(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c1 633582262 VBSZKYGPKPFVHM-VIFPVBQESA-N 328.294 2.643 0 50 EFAA CN1C(=O)N([C@@H]2CCOC3(CCC3)C2)C(=O)[C@H]1Cc1ccccc1 278209060 VYTBWBCLODCMCL-HZPDHXFCSA-N 328.412 2.593 0 50 EFAA CCC(=O)N1CCC[C@H](C(=O)Nc2nc3cccc(Cl)c3n2C)C1 186558402 CLTRGEMNMYUVEX-NSHDSACASA-N 348.834 2.814 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1c1nc(C(F)F)nc2ccccc12 301231744 AYEWIGJATRGOOA-ZDUSSCGKSA-N 332.354 2.815 0 50 EFAA CNC(=O)c1ccc(N[C@@H](c2cccc(F)c2)c2ccccn2)nn1 301866200 FZENUESXUDYPKP-KRWDZBQOSA-N 337.358 2.572 0 50 EFAA CC(=O)NC[C@@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 639371598 QRPDZIDHLQZGGP-AWEZNQCLSA-N 330.350 2.902 0 50 EFAA C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccc(Cl)cn1 189770734 NZAQAINCGYDKME-NSHDSACASA-N 327.775 2.807 0 50 EFAA COC(=O)Cc1cccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1 190158673 MKIMJOOWVLIATA-OXQOHEQNSA-N 336.391 2.640 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cnn3ccccc23)C1 190475901 JXIZMQWOSOVKPR-SFHVURJKSA-N 335.455 2.683 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)c3scnc3C)C2=O)c(C)c1 190566827 FQXBYRQHKTWLHO-CQSZACIVSA-N 343.452 2.912 0 50 EFAA OCC1(CNc2nn3cc(-c4ccccc4)nc3s2)CCOCC1 747841975 SINFTBDTOCFXFX-UHFFFAOYSA-N 344.440 2.659 0 50 EFAA Cn1cc(NC(=O)N2CCC(CCC(=O)O)CC2)c(C(F)(F)F)n1 656604442 WJAYXXUYYRLHMF-UHFFFAOYSA-N 348.325 2.548 0 50 EFAA C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H]1c1ccccc1 669355118 MWGNAGVFLJKISD-XOYOTBSWSA-N 325.412 2.508 0 50 EFAA CC(=O)N1CCN(C(=O)c2nc(-c3ccc(F)cc3)sc2C)CC1 11865761 UQUYASQBINOLCL-UHFFFAOYSA-N 347.415 2.562 0 50 EFAA CCOC(=O)c1c(N)sc2c1CCN(C(=O)c1ccccc1)C2 12336616 LJQMAGPFTGJEIH-UHFFFAOYSA-N 330.409 2.706 0 50 EFAA O=C(NC1CCCC1)[C@H]1CNC[C@@H](COc2ccc3c(c2)CCC3)C1 14747112 ZMZONRBRCFNFRE-MAUKXSAKSA-N 342.483 2.839 0 50 EFAA CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15652958 UXCVSWXSMAUHFO-CQSZACIVSA-N 338.473 2.780 0 50 EFAA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1cccc(F)c1 16399696 RESCJGCIRSSTBW-UHFFFAOYSA-N 326.327 2.738 0 50 EFAA c1ccc(COc2ccccc2CNCCN2CCOCC2)cc1 19872118 UHYKTGDYTCVOGJ-UHFFFAOYSA-N 326.440 2.687 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1 4839819 YSEIREGXZQHJKE-UHFFFAOYSA-N 326.324 2.724 0 50 EFAA CC1(O)CCN(C(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)CC1 1857529519 LZLSNXPNMJCLQP-NQYLQCIDSA-N 343.471 2.649 0 50 EFAA Cc1ccc(NCc2c(C(C)C)nn(C)c2N2CCOCC2)cn1 128011325 IOYURXMDYVUCDK-UHFFFAOYSA-N 329.448 2.696 0 50 EFAA COCc1nc([C@H]2CCCCN2C(=O)Cc2c(C)cccc2C)n[nH]1 408473674 ALFOUBGPNJKQIK-MRXNPFEDSA-N 342.443 2.864 0 50 EFAA COCc1ccccc1C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 109861656 DMPJRVWGIIJFOV-AWEZNQCLSA-N 340.427 2.779 0 50 EFAA O=Cc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3F)n2)[nH]1 225428062 PHRMKDLJVCYVCI-UHFFFAOYSA-N 348.721 2.600 0 50 EFAA CNC(=O)[C@H]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 420627311 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2.570 0 50 EFAA Cc1cnc(Nc2cnn(Cc3ccc(F)cc3)c2)nc1N(C)C 2100477204 PBWGJQIHXAJZKO-UHFFFAOYSA-N 326.379 2.979 0 50 EFAA Cc1cc([C@H](O)CN(C)Cc2cccc(C(=O)N(C)C)c2)ccc1O 2325771993 JVQZKDZJBSPYOL-LJQANCHMSA-N 342.439 2.568 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 89600 NPCOYASZGQPAJA-UHFFFAOYSA-N 326.324 2.724 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 125594 YSZVLCYDHLQROL-UHFFFAOYSA-N 326.396 2.666 0 50 EFAA O=C(NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 342218 YGFFRSMVZBWZAC-UHFFFAOYSA-N 332.356 2.724 0 50 EFAA COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1 1876356 JDXTYWIAQLDZER-UHFFFAOYSA-N 328.420 2.582 0 50 EFAA Cc1cccc(-n2nc(C)nc2[C@H]2OCC(=O)N[C@@H]2c2ccccc2)c1 2356142083 CSIOPDXEUMVVAH-MOPGFXCFSA-N 348.406 2.813 0 50 EFAA CC1(C)C(CNC(=O)CCc2nc(-c3ccccn3)no2)C1(C)C 225445160 ZEIUTMCSEXIILO-UHFFFAOYSA-N 328.416 2.863 0 50 EFAA O=C(c1cc(N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)ccn1)N1CCOCC1 102653869 KGNGCZDQQQSFED-FIDQPZAXSA-N 341.455 2.569 0 50 EFAA 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CN(C)C(=O)CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 30766047 LIXNGRUYIYBIDF-CVEARBPZSA-N 346.427 2.537 0 50 EFAA Cc1noc(C)c1[C@@H](C)NS(=O)(=O)N1CCC[C@H]1c1ccco1 239882121 DAIQIRNLTNXATI-YPMHNXCESA-N 339.417 2.617 0 50 EFAA O=C(c1ccc[nH]1)N1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 216224757 ZWDNMHHNUXAJGZ-KRWDZBQOSA-N 343.427 2.807 0 50 EFAA Cc1cc(N2C[C@@H](C(=O)N[C@H]3C[C@H](C)O[C@H](C)C3)CC2=O)ccc1F 241774063 RMSYGKOABMEEAS-XGUBFFRZSA-N 348.418 2.559 0 50 EFAA O=C(NCCCN1CCc2ccccc21)[C@@H]1OCCc2ccccc21 129211618 BDRHWKMLFKMXQM-HXUWFJFHSA-N 336.435 2.869 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 375371870 XIMMEUGFTTXHBD-IBGZPJMESA-N 325.412 2.699 0 50 EFAA COc1cc(C(=O)O)ccc1NC(=O)C[C@@H](C)n1nc(C)cc1C 262901828 ITOZIPGXYZYNME-GFCCVEGCSA-N 331.372 2.797 0 50 EFAA C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1)Oc1ccc(Cl)cc1 263041269 DAWVPJNMTOUTID-TUAOUCFPSA-N 325.792 2.724 0 50 EFAA O=C([C@H]1Cc2ccccc2O1)N1CCC(CCn2cccn2)CC1 77565845 KGJVIJKWDGRJEO-GOSISDBHSA-N 325.412 2.516 0 50 EFAA CC[C@@H](c1nc(C)c(C)s1)n1ccnc1-c1cc2n(n1)CCNC2 72473485 CCYXPPZTTAQRKU-HNNXBMFYSA-N 342.472 2.923 0 50 EFAA COc1ccc(C(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)cc1O 71753310 KRQOJJADWFIOPJ-KRWDZBQOSA-N 346.471 2.983 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 174969268 IYBFOWKCRBDOQT-CQSZACIVSA-N 341.415 2.804 0 50 EFAA Cn1nccc1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 286017921 APVYDQBVDOAGSS-LLVKDONJSA-N 329.326 2.635 0 50 EFAA C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 263557249 ZKTSBZKEOXUGNM-AEGPPILISA-N 327.380 2.977 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)NCCCn1ccccc1=O 220401870 HPFDPNNYNPSYAH-UHFFFAOYSA-N 338.329 2.616 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1 178267015 LDYDTFRTXHVNML-NSHDSACASA-N 328.343 2.798 0 50 EFAA Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nn1 95364553 BIEKNGOCYZIEHF-INIZCTEOSA-N 334.427 2.809 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 95356969 KQFMIUNKFIKHGF-QGZVFWFLSA-N 332.423 2.694 0 50 EFAA CC1(C)OC(=O)N(CC(=O)N(Cc2ccccc2)CC2CCC2)C1=O 95503682 VGZXEHMXIFHKHJ-UHFFFAOYSA-N 344.411 2.573 0 50 EFAA CCn1cc(-c2nc(CCSC)nn2-c2cccc(C)n2)cn1 97463561 LTHFNMUBLCHELM-UHFFFAOYSA-N 328.445 2.760 0 50 EFAA COc1cccc2c1OC[C@H](Cc1ccc(S(C)(=O)=O)cc1)C2 95358108 FOGSJCYUUXBJIK-CQSZACIVSA-N 332.421 2.893 0 50 EFAA COCCCCCC(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91326869 YILOTIRHUDUPDR-IBGZPJMESA-N 336.476 2.587 0 50 EFAA O=C(c1ccccc1)C1CCN(C(=O)CCC2CCNCC2)CC1 179772906 ADTHVWOYKWAMKS-UHFFFAOYSA-N 328.456 2.888 0 50 EFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2 95354411 VMLKXXMCKCJZGO-INIZCTEOSA-N 338.407 2.900 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95525354 VEODJMJLYJSSTQ-CRAIPNDOSA-N 326.440 2.568 0 50 EFAA CC(C)n1cc(NC(=O)N(C)Cc2n[nH]c3c2CCCCC3)nn1 96139969 ATJTXEJAFBUAKW-UHFFFAOYSA-N 331.424 2.515 0 50 EFAA Cc1nn(CC(=O)N[C@H]2COC3(CCCCC3)C2)c(C)c1Cl 244894026 YYRWGHGQAAWVLC-CYBMUJFWSA-N 325.840 2.761 0 50 EFAA CC(C)(C)NC(=O)N1CCC(NC(=O)CSC(C)(C)C)CC1 181144479 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2.604 0 50 EFAA CC(C)Cn1nccc1CN1CC[C@@H](C(=O)NCc2ccccc2)C1 648066626 MQCIDUWJHZRKOW-GOSISDBHSA-N 340.471 2.677 0 50 EFAA Cc1cc(-c2ncccc2NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cs1 194158040 YAPGGVJASZTURO-HZMBPMFUSA-N 344.440 2.765 0 50 EFAA C[C@H](C(=O)Nc1ccc(NC[C@@H]2CCC=CO2)cc1)n1cncn1 194130921 DCZQDAGZVBKPTA-CJNGLKHVSA-N 327.388 2.582 0 50 EFAA COc1cc(CN2CCN([C@H](C)c3nccs3)CC2)ccc1O 194994490 QZRWLYJSHQZQMI-CYBMUJFWSA-N 333.457 2.736 0 50 EFAA CCNC(=O)c1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1Cl 1506420029 QWWIEJDHHLKGIB-MRXNPFEDSA-N 345.830 2.598 0 50 EFAA COCCCn1cnnc1CN=c1cc[nH]c2ccc(Cl)cc12 1529105803 ILLBCCVYDSRIOS-UHFFFAOYSA-N 331.807 2.550 0 50 EFAA O=C(O)c1cccc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c1 213111607 KMJXPAVRBAZFTQ-SJORKVTESA-N 325.364 2.685 0 50 EFAA COc1cc(F)c(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c(F)c1 1529112949 AMWVTRHSPYDMAY-BKUVIOGVSA-N 325.355 2.595 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c2ccccc12 365654 ZCJBDSPFOPLACD-MRXNPFEDSA-N 342.420 2.814 0 50 EFAA Cc1nc(CCCNc2cncc(C(=O)N3CCCC3)n2)sc1C 1704297338 NGFBCVCDKMFDAS-UHFFFAOYSA-N 345.472 2.831 0 50 EFAA Cc1ccc2cc(C(=O)C3CCOCC3)c(N3CCOCC3)nc2c1 1772817173 LFRXKNJNUJYLPJ-UHFFFAOYSA-N 340.423 2.989 0 50 EFAA CCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 5057460 PCRUZHUOFUNJNL-JTQLQIEISA-N 348.453 2.642 0 50 EFAA C[C@H](Cn1nnc2ccccc21)C(=O)[C@H](C)Cn1nnc2ccccc21 5371781 LJGIAHHKJLOVJR-ZIAGYGMSSA-N 348.410 2.718 0 50 EFAA Cc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ncn1 11902791 LGARBGUETVROEF-UHFFFAOYSA-N 347.425 2.786 0 50 EFAA COc1ccc(-c2cnnc(NCC[C@@H]3CCCCO3)n2)c(OC)c1 12576864 GOEFLYYGNKNCHD-ZDUSSCGKSA-N 344.415 2.927 0 50 EFAA O[C@H](COC1CCCC1)CN1CCN(c2cccc(Cl)c2)CC1 16648214 LJBPCZKJENTWEH-KRWDZBQOSA-N 338.879 2.782 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(OC)c1 4316287 QNIMSSVMBWYTLB-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA Cc1cc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)no1 4920982 MMXLCUXCFDCORK-UHFFFAOYSA-N 342.380 2.876 0 50 EFAA NC(=O)CCCn1cc(-n2ccnc2-c2cccc3ncccc23)cn1 1857684698 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C[C@H](NC(=O)C1SCCS1)[C@H]1CCN(Cc2ccccc2)C1 272325840 VIIGHWJMOQJMJE-ZFWWWQNUSA-N 336.526 2.819 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](N(C)CC(=O)O)CC2)ccc1Cl 186648267 DOBAENFCYIVSSU-CQSZACIVSA-N 338.835 2.660 0 50 EFAA Cn1c([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)nc2c1CCCC2 275639580 SVYNGUPOMOHNAN-SFHVURJKSA-N 338.455 2.735 0 50 EFAA Cc1nn(C)cc1CN1CCC[C@H](N(C)Cc2ccccn2)CC1 275818279 UNSJYQUVCPNGCB-IBGZPJMESA-N 327.476 2.610 0 50 EFAA C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)c1nc2ccccc2o1 170593750 TZEQZUFVBFHSBB-LLVKDONJSA-N 340.335 2.610 0 50 EFAA CN(C)c1ncc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cn1 170611995 IMTCQORCXUFJPS-NSHDSACASA-N 345.369 2.985 0 50 EFAA O=S(=O)(N[C@H]1CCCOCC1)c1ccc(CC(F)(F)F)cc1 190111732 BADWKHYZBKEEQC-LBPRGKRZSA-N 337.363 2.639 0 50 EFAA O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccccc1-c1cccs1 644292200 SBTSDNUACZZQNW-OAHLLOKOSA-N 344.436 2.727 0 50 EFAA CO[C@@H]1CC[C@H](NC(=O)NCc2cn(-c3ccccc3)nc2C)C1 191553682 XDHMLQXGARVERP-DOTOQJQBSA-N 328.416 2.547 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)N3C[C@@H](C)[C@H](CO)C3)c2C)c1 192348375 BFESVOZDSLBXKJ-ZBFHGGJFSA-N 342.443 2.890 0 50 EFAA COc1cccc2c1OCC[C@H]2NC(=O)C1CN(C2CCCCC2)C1 654930571 PITPGVSWLDEULL-QGZVFWFLSA-N 344.455 2.900 0 50 EFAA CN1CCC([C@H]2CCN(C(=O)[C@@H]3CCN(C)c4ccccc43)C2)CC1 677337752 WBQJRYHJANPVPY-PKOBYXMFSA-N 341.499 2.800 0 50 EFAA COC[C@@H](C)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 989609263 UBZVRGLMFVHDOR-CYBMUJFWSA-N 340.851 2.531 0 50 EFAA COc1ccc(OC)c([C@H](C(=O)O)N2CCc3sccc3C2)c1 1506417003 JGFJYIONJPEJCS-MRXNPFEDSA-N 333.409 2.949 0 50 EFAA CCCn1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c(C)n1 216961174 XBIWQOMPTVMVMQ-SJORKVTESA-N 341.411 2.542 0 50 EFAA Cc1ccc2c(C(=O)NCCCn3ccnc3C(C)C)cnn2c1 1772712516 QWWAFKDUZDHYIZ-UHFFFAOYSA-N 325.416 2.783 0 50 EFAA O=C(C1CCC1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 11879415 OHBZWGSSAHIRON-OAQYLSRUSA-N 340.467 2.870 0 50 EFAA COc1ccc(C[C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1OC 12383591 UOGFWBMGLSZZBQ-LBPRGKRZSA-N 343.379 2.794 0 50 EFAA biogenic,in-vitro 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225593206 XITIXUKFQOGFOB-SECBINFHSA-N 342.628 2.824 0 50 EFAA CC(C)(Cc1ccccc1)C(=O)NC1CCN(c2ncccn2)CC1 117608876 HOJPLEPXKVMTNM-UHFFFAOYSA-N 338.455 2.831 0 50 EFAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H]1CCN=C(O)C1 328801663 ZKDZVJKADBVJBW-NSHDSACASA-N 332.791 3.139 0 50 EFAA COC1(CC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CCC1 242389438 ZXGNQEXJVSXJGI-UHFFFAOYSA-N 344.455 2.675 0 50 EFAA O[C@@H]1C[C@H](NCc2cc(Cl)cc3cccnc23)[C@H]1n1cccn1 657515853 NRFHCJGJOCDSOW-ZMSDIMECSA-N 328.803 2.549 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1O 496749494 SXBWUVDUPPXLHL-CYBMUJFWSA-N 334.372 2.543 0 50 EFAA Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)[nH]n1 266146922 MNRXPSVLKAUZIH-CYBMUJFWSA-N 332.835 2.891 0 50 EFAA CCOc1ccc(CN2CCC(n3cc(C(=O)O)nn3)CC2)c(C)c1 901521948 AAOQTCQXVQJVAS-UHFFFAOYSA-N 344.415 2.521 0 50 EFAA Cc1c(C(=O)OCc2csc3nccn23)nnn1-c1ccccc1 811067160 PHFNEXVIKCXVCP-UHFFFAOYSA-N 339.380 2.642 0 50 EFAA COc1ccc(C)cc1[C@H](C)NC(=O)NCc1cc(C)cnc1O 911779699 ZPPVUJHIGOMXLD-ZDUSSCGKSA-N 329.400 2.973 0 50 EFAA Cn1nccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1F 921394824 SWMLEJNTRBCLBD-ZDUSSCGKSA-N 343.811 2.738 0 50 EFAA O=S(=O)(Nc1cnc(C(F)(F)F)cn1)c1cccc(Cl)c1 1256723086 VKANCZXSZLPDCK-UHFFFAOYSA-N 337.710 2.950 0 50 EFAA Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(O)nc3c2CCCC3)C1 932120529 NCEQQLKJNNFTQY-CQSZACIVSA-N 340.427 2.648 0 50 EFAA O=C(c1cc2cccn2cn1)N1CCC(Oc2ncccc2F)CC1 935692002 SWRIZIDKVHUWCB-UHFFFAOYSA-N 340.358 2.552 0 50 EFAA CCn1cc(C(=O)N2CC[C@@H](Cc3nccs3)C2)c(C2CC2)n1 890203687 NNJSFVJBOAQVFC-LBPRGKRZSA-N 330.457 2.942 0 50 EFAA CCc1ccccc1CC(=O)N1CC[C@@H](C2CC(NC(C)=O)C2)C1 2325848273 CQZUZTYMXXAEEF-LMDPOFIKSA-N 328.456 2.555 0 50 EFAA O=C(Nc1cccc(COCCOc2ccccc2)c1)[C@@H]1CCNC1 151620088 ZCZYTEQQDGEFKA-QGZVFWFLSA-N 340.423 2.830 0 50 EFAA Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SCS2)n1 6847 WOUUWUGULFOVHG-UHFFFAOYSA-N 330.456 2.991 0 50 EFAA in-man O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCCO1 1062429 OANMTZJIXZDYMQ-CYBMUJFWSA-N 335.791 2.618 0 50 EFAA 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346.412 2.854 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2nc(C[C@H]3CCOC3)cs2)cc1 1875277698 ZBKGPGNBNBHNSP-SNVBAGLBSA-N 332.381 2.673 0 50 EFAA C[S@@](=O)c1ccc(C(=O)Nc2cccc(OC(F)(F)F)n2)cc1 1875316970 LQZVPWDKFLHIGN-HSZRJFAPSA-N 344.314 2.970 0 50 EFAA COc1ccc(NC(=S)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 1069126 ZAMJMKKERKSZIM-CQSZACIVSA-N 347.484 2.726 0 50 EFAA O=C(O)[C@H]1c2cc(Br)ccc2CCN1Cc1ccon1 2325788316 YCWQJWBDRPGBMX-CYBMUJFWSA-N 337.173 2.621 0 50 EFAA Cn1ncc2c(NC(=O)c3csc([C@H]4CCCNC4)n3)cccc21 2325795683 SWUMVBUVTWOEND-NSHDSACASA-N 341.440 2.749 0 50 EFAA Cc1cccnc1[C@H]1CCN(C(=O)COc2ncnc3ccccc23)C1 2325813015 CIFQFYIICUVBEX-HNNXBMFYSA-N 348.406 2.728 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2cccc3ccccc23)[nH]1 2325852508 IXMDWQRXUTYGQA-QGZVFWFLSA-N 336.347 2.926 0 50 EFAA Cc1ccccc1[C@@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 245316819 KQUQAUJKYOFORL-AEFFLSMTSA-N 336.501 2.804 0 50 EFAA COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c(OC)c1 31030 DHDOAQRWZIJIPG-UHFFFAOYSA-N 328.368 2.939 0 50 EFAA CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C 379091 CWEXNJGCFLHLPU-UHFFFAOYSA-N 348.380 2.796 0 50 EFAA CC(C)(C)n1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1CC[C@@H](N)CC1 2356161977 RNCHFUCGYFJTEN-GASCZTMLSA-N 341.459 2.784 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@@H]3CO)ncnc21 2356170164 YDLCTUAUMSGDGO-CQSZACIVSA-N 331.464 2.786 0 50 EFAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12 4344175 KEQKJKJZWCBCFD-GFCCVEGCSA-N 339.800 2.731 0 50 EFAA C[C@@H]1SC(NC(=O)CSc2nc3ccccc3s2)=NC1=O 4806635 JHPLXOMLOCQYCE-ZETCQYMHSA-N 337.451 2.523 0 50 EFAA COC(=O)[C@@H](CCSC)NC(=O)C12CC3CC(CC(C3)C1)C2 4992213 ZETWAMSVKSUKIE-DLUQRMLASA-N 325.474 2.614 0 50 EFAA CCCCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 6636087 MPIGEOWESGDMLK-UHFFFAOYSA-N 344.202 2.798 0 50 EFAA CCc1ccc2nc(NC3CCN(S(C)(=O)=O)CC3)cc(C)c2c1 55281592 HFVRRIBGFZDEMO-UHFFFAOYSA-N 347.484 2.942 0 50 EFAA COc1ccccc1N1CC[C@@H](C)N(C(=O)CCOC(C)C)CC1 225617391 UQTYIHWDISMCNM-MRXNPFEDSA-N 334.460 2.938 0 50 EFAA O=C(NS(=O)(=O)c1cccnc1)c1ccccc1OC1CCCC1 111942816 HKQAFRDFTDWYIO-UHFFFAOYSA-N 346.408 2.522 0 50 EFAA COCC[C@H]1CCCCN1Cc1cn(CCC(N)=O)c2ccccc12 55393581 QWLRDBHMMHTBSY-QGZVFWFLSA-N 343.471 2.908 0 50 EFAA C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H](c1ccccc1)N(C)C 343541811 LJMSOWNJGLEBEH-LWCVALJOSA-N 342.487 2.779 0 50 EFAA COCCN(Cc1nccs1)[C@H](C(=O)O)c1ccc(F)c(C)c1 55052732 WWBPVJIRUOTKJG-HNNXBMFYSA-N 338.404 2.865 0 50 EFAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(=O)O 27639655 GTUGBRJEKVKOKQ-LRSAKWJDSA-N 326.433 2.695 0 50 EFAA in-vitro COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1O 55543010 IHXQKOZGRNYNLV-UHFFFAOYSA-N 346.402 2.871 0 50 EFAA O=C(O)C1CCN(C(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 20722316 RQJZFLCCLNQGCT-UHFFFAOYSA-N 348.399 2.815 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC2CCN(Cc3cccc(O)c3)CC2)n1 67695624 IEURXIJIITZCEL-MRXNPFEDSA-N 342.487 2.848 0 50 EFAA CCOCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 10325460 XTWSALUWGUBDCD-HZPDHXFCSA-N 335.400 2.931 0 50 EFAA C[C@H]1CCCN(CCCOc2ccc(CNN3CCOCC3)cc2)C1 67601787 XHADEFFEQIDTHY-SFHVURJKSA-N 347.503 2.524 0 50 EFAA CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 135278860 GOWILWRZIXYWRP-DZGCQCFKSA-N 334.464 2.920 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2csc(-c3cnccn3)n2)no1 65453825 FGVDOBJEBREHLK-UHFFFAOYSA-N 343.412 2.717 0 50 EFAA CCN(CC)[C@@H](CNc1nc(C)nc2c1cnn2C)c1ccco1 64114294 LHYOLIBQDLKVLF-AWEZNQCLSA-N 328.420 2.760 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348263485 KRIWKBYTBLQDBB-RTBURBONSA-N 343.398 2.719 0 50 EFAA CN1CCC2(CCCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1 67727096 NCJBTLIXUOGMIT-UHFFFAOYSA-N 326.444 2.901 0 50 EFAA Cn1cc2c(NCC(C)(C)c3ccc4c(c3)OCCO4)ncnc2n1 119207929 UIGSNPQMSVRAMV-UHFFFAOYSA-N 339.399 2.524 0 50 EFAA O=C(C1CCOCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65495795 ODPAKULWHHNCDF-VQTJNVASSA-N 339.435 2.943 0 50 EFAA CC(C)[C@@H]1CCCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 252370751 YXYJESICWVJGNI-MJGOQNOKSA-N 329.488 2.750 0 50 EFAA O=C(NCCCOCc1ccco1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 252477596 RCBZHGXNLVLTDA-GVDBMIGSSA-N 348.443 2.833 0 50 EFAA Cc1cc(=O)oc2cc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)ccc12 252458551 QXZVKTDFDYTYGD-BNBDDXAPSA-N 339.347 2.563 0 50 EFAA O=C1NC[C@@H](c2ccccc2)Cc2[nH]c(-c3cn4ccccc4n3)nc21 67894190 IUIKCGOJQYZOQH-AWEZNQCLSA-N 343.390 2.794 0 50 EFAA CC(C)N(C)c1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2)cn1 252507715 WSPVMPJOLKQDBZ-IBGZPJMESA-N 338.455 2.599 0 50 EFAA COCCCC1CCN(C(=O)C2(N(C)C)Cc3ccccc3C2)CC1 11661565 CAUQFBLDIQEXRB-UHFFFAOYSA-N 344.499 2.751 0 50 EFAA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)s1 3884487 XEBOCMNQLRLDOT-SCSAIBSYSA-N 346.124 2.705 0 50 EFAA biogenic CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccccc2F)CC(=O)N1 4916618 JBARJFZQUSSZRR-AWEZNQCLSA-N 335.375 2.671 0 50 EFAA COCc1nc(N[C@@H](C)c2cc(F)cc(F)c2)c2cnn(C)c2n1 72154186 IGPOWHZXDJWERZ-VIFPVBQESA-N 333.342 2.961 0 50 EFAA CCOc1nc(C)ccc1C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 253431306 RBZAODMBNZZRQP-CQSZACIVSA-N 344.415 2.575 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H](O)C1CCCCC1 72428350 FANGYPIRDGWUPD-GOSISDBHSA-N 327.428 2.772 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N1CCC(N2CCCCC2=O)CC1 253432889 PKVONGHGOFSBBV-UHFFFAOYSA-N 347.463 2.552 0 50 EFAA CCOC(=O)c1csc(N(C)C(=O)[C@@H]2CCCc3cccnc32)n1 241784865 RXILOQFZIGFAAL-GFCCVEGCSA-N 345.424 2.798 0 50 EFAA Cc1cc(C)nc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c1 153867904 RVBNRLONHULOEW-IBGZPJMESA-N 339.439 2.835 0 50 EFAA Cn1cc(-c2ccccc2CNc2cc(NCC3CC3)ncn2)cn1 362675639 IKXULAJNDIBJJO-UHFFFAOYSA-N 334.427 3.311 0 50 EFAA CN1CC2(CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)OC1=O 216311503 NXYNRLRCDGLCFT-OAHLLOKOSA-N 334.416 2.938 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ncc[nH]1 77535862 VKUXXLFMALZFSD-MRXNPFEDSA-N 340.427 2.550 0 50 EFAA O=C(N[C@H](c1cccnc1)c1cc2ccccc2o1)C1=COCCO1 369169585 FIODYXIZXOCAQM-GOSISDBHSA-N 336.347 2.922 0 50 EFAA Cc1cnn([C@H](C)CNc2nc(C(C)(C)C)nc3c2cnn3C)c1 72162015 XVSWNEDTUKUMOB-GFCCVEGCSA-N 327.436 2.839 0 50 EFAA CN(CC1(O)CCCC1)C(=O)c1cc(N(C)C)c2ccccc2n1 283291937 FDSLLWBZPNYFCY-UHFFFAOYSA-N 327.428 2.678 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)NCCCn2ccccc2=O)cc1 77730877 VFIVPQUKAWJCIW-OAHLLOKOSA-N 330.453 2.844 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc(O)c(C#N)c2C)c1 77343405 VWSLVTVOQFGHFX-KRWDZBQOSA-N 337.379 2.953 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1Cc2ccccc2O1 72423408 UCHJEDANDUXPNP-IBGZPJMESA-N 333.391 2.834 0 50 EFAA COc1ccc2c(c1)OCCN(C(=O)C[C@@H](O)c1cccc(F)c1)C2 374749172 IFLPWTFUXJOADD-QGZVFWFLSA-N 345.370 2.679 0 50 EFAA Cc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 77322378 GFOMVEWJZLGQTQ-UHFFFAOYSA-N 338.455 2.566 0 50 EFAA CCc1[nH]c2c(CNC(=O)Cn3nc(C)cc3N)cc(C)cc2c1C 77455621 OXBORWILYAALBZ-UHFFFAOYSA-N 339.443 2.751 0 50 EFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 337239823 FAULZPMNLCPMCI-HRCADAONSA-N 345.361 2.947 0 50 EFAA C[C@H]1C(=O)N(c2cc3c(cc2Cl)OCCCO3)C(=O)N1C1CC1 285977578 MQBIEDXWSSJFCS-VIFPVBQESA-N 336.775 2.821 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)Nc2ccc(OCc3ccncc3)cc2)C1 263498263 RVJGUXZEIHDRIN-AWEZNQCLSA-N 341.367 2.599 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)no1 82099924 SUWOMVOQZDRECG-HOTGVXAUSA-N 325.412 2.897 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 229305692 CWHQKXPWLONDGQ-LMSBXDPUSA-N 346.471 2.515 0 50 EFAA O=C(N1CC[C@](O)(c2ccccc2)C1)C1(c2ccc(F)cc2)CC1 91350657 CLTPKWPOUSMWQG-HXUWFJFHSA-N 325.383 2.977 0 50 EFAA CC[C@]1(C(=O)O)CCCN(Cc2cc3c(cc2OC)OCCCO3)C1 91656123 CZFDVJMLXNVKOP-IBGZPJMESA-N 349.427 2.933 0 50 EFAA CCOc1ccc2nc(CN3CCC4(CC3)C[C@H](O)CO4)ccc2c1 97772771 RARXJNAWZLPOMG-KRWDZBQOSA-N 342.439 2.749 0 50 EFAA Cc1cc(Nc2ncccc2S(N)(=O)=O)ccc1Br 96511518 HLZYESIWCOOCNQ-UHFFFAOYSA-N 342.218 2.544 0 50 EFAA O=C(c1cccnc1)N1CCC(N2CCc3sccc3C2)CC1 238877466 OKLBBHLVELSUAE-UHFFFAOYSA-N 327.453 2.806 0 50 EFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)N)c1C 91690109 QNVDVIGAFHFHOK-OAHLLOKOSA-N 326.444 2.720 0 50 EFAA COCC1(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)CCC1 91943529 RJTHVQSKPMEQOE-HNNXBMFYSA-N 331.412 2.593 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 299742828 KTOKIUHZWUZVRD-JLLWLGSASA-N 327.302 2.742 0 50 EFAA Cn1ccc2c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)cccc21 252536054 HMZLDPQGTVUTJW-NJSLBKSFSA-N 335.407 2.815 0 50 EFAA COc1ccc(-c2cc(CNC(=O)CCc3cccn3C)no2)cc1 534584156 HNCFMNKRPWKCFY-UHFFFAOYSA-N 339.395 2.938 0 50 EFAA Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)O)on1 299765452 HBCOJCNRFOGHMY-GFCCVEGCSA-N 349.412 2.908 0 50 EFAA CC(C)N1CCC2(CC[C@H](CNC(=O)Nc3cccnc3)O2)CC1 299757332 LTDGLAOAYGBNQT-MRXNPFEDSA-N 332.448 2.625 0 50 EFAA Cc1nnc(SCCNC(=O)c2ccc3ncsc3c2)s1 825296653 CDYZWJOMJPPYJQ-UHFFFAOYSA-N 336.467 2.978 0 50 EFAA CN1CCC2(CC1)CN(Cc1ccc([C@H]3CCCO3)s1)CCN2C 823770304 UNLBQMBVBYKIBS-QGZVFWFLSA-N 349.544 2.811 0 50 EFAA COc1ccc(S(=O)(=O)N[C@@H](C)Cc2cccnc2)cc1Cl 907985104 VANBLUPFOPUSTP-NSHDSACASA-N 340.832 2.653 0 50 EFAA CCCc1cc(CN[C@H]2CCC(=O)N(Cc3ccccc3)C2)on1 952970212 LLYMLVZHJKMWQN-KRWDZBQOSA-N 327.428 2.908 0 50 EFAA COc1ccc2sc(C(=O)N3CCO[C@H](CC(=O)O)C3)c(C)c2c1 269022404 IWILJXXDBMFFSE-GFCCVEGCSA-N 349.408 2.534 0 50 EFAA CCc1nnc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)o1 269688326 VTUFGVMNBNVAER-NSHDSACASA-N 348.834 2.868 0 50 EFAA COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl 271538785 CXPKNZKSXZMKLJ-XHDPSFHLSA-N 347.864 2.831 0 50 EFAA COCc1ccc(S(=O)(=O)NCC[C@@H]2CNc3ccccc32)cc1 631963664 IPTYQEURJQSYDY-OAHLLOKOSA-N 346.452 2.711 0 50 EFAA COc1cc(CC(=O)N2CCc3cccc(F)c32)cc(OC)c1OC 408513397 RBZNOEADDCUDHH-UHFFFAOYSA-N 345.370 2.983 0 50 EFAA CN(Cc1ccccc1)[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)CC1 221838360 HDRMCVUPFZJVSA-HZPDHXFCSA-N 330.394 2.896 0 50 EFAA CSc1ccccc1CN(C)C(=O)CNC(=O)c1cccs1 280033221 NYLQZNUHIFYLLU-UHFFFAOYSA-N 334.466 2.858 0 50 EFAA CS(=O)(=O)C1CCC(CNc2nccc(C(F)(F)F)n2)CC1 895418126 CBIAXYVNRDFEEI-UHFFFAOYSA-N 337.367 2.511 0 50 EFAA Cn1cc([C@H](NC(=O)c2ncc(F)cc2F)c2ccc(F)cc2)cn1 190720341 MBXFQWOVTOCGRT-OAHLLOKOSA-N 346.312 2.752 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 191092157 OSKXEIGQRFQTFR-LLVKDONJSA-N 327.812 2.797 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(-c3ccccc3)on2)C1 644117907 VEAAXOOSIKNWCD-HIFRSBDPSA-N 338.367 2.667 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H](OC2CCC2)C1 654539422 GYNVVCZZMQPPJL-HIFRSBDPSA-N 333.432 2.894 0 50 EFAA Cc1c(C(=O)N2CCOC[C@H]2c2ncon2)sc2cccc(F)c12 678062324 OVCIPDHJHDKXEM-NSHDSACASA-N 347.371 2.946 0 50 EFAA Cc1noc(C)c1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 1506413706 UGGMJLCFSFEZLH-KRWDZBQOSA-N 343.427 2.827 0 50 EFAA CC1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1 1529112855 SIEQOBHCJVBETA-MOPGFXCFSA-N 344.455 2.622 0 50 EFAA COc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(F)c1 1529186781 JUCBHNYFMDIZQO-RTBURBONSA-N 349.377 2.908 0 50 EFAA COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O 1050183 LAVPDZBAUFLVSF-UHFFFAOYSA-N 342.303 2.629 0 50 EFAA CC(C)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 469728 AAPVRSCVDZQMRI-UHFFFAOYSA-N 342.233 2.810 0 50 EFAA O=C(CC1CC1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12201091 ZOMLMIHVZOCBHU-CYBMUJFWSA-N 340.345 2.723 0 50 EFAA CCOCc1cc(CN2CC[C@]3(CCCN(C)C3=O)C2)ccc1OC 12750641 BCAYMBWNORNIKW-HXUWFJFHSA-N 346.471 2.676 0 50 EFAA CCCc1nn2c(=O)c(NC(=O)c3cccc(C)c3)cnc2s1 14291586 PHGVGQWPMLDRPT-UHFFFAOYSA-N 328.397 2.664 0 50 EFAA CCCc1cc(=O)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2[nH]1 18029738 CJHUDTDDKLJUCZ-UHFFFAOYSA-N 326.381 2.569 0 50 EFAA O=C(c1cccs1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 4858649 NFOWISQBKBAPCS-CYBMUJFWSA-N 341.314 2.644 0 50 EFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 6725421 GELDDCZLWZAGHR-JKGUZNAFSA-N 331.368 2.533 0 50 EFAA Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccccn1 6726314 AXUQLNJWHXDXCI-UHFFFAOYSA-N 345.472 2.808 0 50 EFAA COc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1Br 6745709 LYCPKIBAWGATDR-UHFFFAOYSA-N 348.262 2.941 0 50 EFAA COc1ccc(F)c(F)c1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857675538 CJHNMYDDYQDWLY-UHFFFAOYSA-N 347.365 2.815 0 50 EFAA O=C(Nc1ccccc1Cl)N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857713219 LOFSQPJEVXCOSH-WWGRRREGSA-N 335.835 2.713 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 237491665 YRPOUWCHANMINC-WFASDCNBSA-N 331.391 2.752 0 50 EFAA O=C(CCc1cccc(OC2CCCC2)c1)N1C[C@@H](F)C[C@H]1CO 347442705 WKFMJSWDGORVNR-HOTGVXAUSA-N 335.419 2.872 0 50 EFAA O=C(CCc1ccccn1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348261371 PNXBDPNROLLBJW-RHSMWYFYSA-N 332.350 2.627 0 50 EFAA CCC(CC)n1ncc(C(=O)Nc2ccnn2CCN(C)C)c1C 359483293 WJUFMTAFFMRIBV-UHFFFAOYSA-N 332.452 2.563 0 50 EFAA CSCc1cc(F)ccc1CNC(=O)N[C@H]1CCc2[nH]ncc2C1 152145103 VKZDOMSELAPOLZ-HNNXBMFYSA-N 348.447 2.769 0 50 EFAA O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@H](OCC2CC2)C1 390835688 UZIRDIYQDNSJKY-LBPRGKRZSA-N 347.444 2.956 0 50 EFAA C[C@]1(O)CCOC2(CCN(C(=O)c3cc4ccccc4cn3)CC2)C1 1704306481 UZTICBQMLJNINY-IBGZPJMESA-N 340.423 2.771 0 50 EFAA CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C(F)(F)F)o1 906184392 QCQHWHYQYPHDKF-SNVBAGLBSA-N 339.335 2.630 0 50 EFAA O=C(c1cnc(O)c(C(F)(F)F)c1)N1CCC[C@H](OCC2CC2)C1 935483186 MQGSQWUISRZWCO-LBPRGKRZSA-N 344.333 2.837 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3ccccc3C3(C)CC3)CCO2)o1 935509178 HAXBEOPEAKHBOG-OAHLLOKOSA-N 327.384 2.643 0 50 EFAA O[C@H](COCc1ccccc1)CN1CCN(c2ccc(F)cc2)CC1 19720431 YYYAPPYXGCPAPW-FQEVSTJZSA-N 344.430 2.525 0 50 EFAA O=C(NC[C@H]1CCCN1C(=O)C1=CCCC1)c1cc2ccccn2c1 943956621 BMOPDFIIDAQDJC-GOSISDBHSA-N 337.423 2.770 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2[C@H](C)CCCN2C(=O)c2ccon2)cc1 945737666 QANGPCWEMXQDAT-RHSMWYFYSA-N 341.411 2.654 0 50 EFAA CC[C@@H](Nc1cc(-c2ccccn2)nc(C)n1)[C@@H](O)C(F)(F)F 1875255320 CCLGJTFOIKFKGH-QMTHXVAHSA-N 326.322 2.961 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)CC1 1875385237 PAOLCBGSVMVLDL-SIKLNZKXSA-N 326.440 2.795 0 50 EFAA COc1cccc2c1CCC[C@H](Nc1ccc(S(C)(=O)=O)cn1)C2 1775285725 ICBOOQXUIDKPDB-AWEZNQCLSA-N 346.452 2.853 0 50 EFAA COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)O)c2ccccn2)c1 1775992748 VFDPVHREASRLPZ-SUMWQHHRSA-N 342.395 2.916 0 50 EFAA O=C(O)C[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC2(CCC2)O1 2325787386 YDLGDHMUEVJWIB-SNVBAGLBSA-N 345.226 2.987 0 50 EFAA CSc1ccccc1[C@H](C)N=c1cc(C(N)=O)nc(C2CC2)[nH]1 2325805956 IHOFERYHNBNYNO-JTQLQIEISA-N 328.441 2.770 0 50 EFAA Cc1cc(C(=O)NCc2ccc(Cl)cc2C)c2c(O)nn(C)c2n1 2325864587 SVFNQULXPLMYKK-UHFFFAOYSA-N 344.802 2.874 0 50 EFAA O=C(Nc1ccccc1N1CCCC1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 245338638 NKXZJLFJPJOUAZ-OIPACUDHSA-N 329.444 2.815 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1nnc(C(F)(F)F)s1 94439 BCHHZEBPVXKQMW-UHFFFAOYSA-N 333.291 2.826 0 50 EFAA CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccccc1 467511 GGOJWVDOCOSENV-UHFFFAOYSA-N 346.452 2.817 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@]12CCCNC2=O 2356137146 HGKCACYGDHOSCU-HNNXBMFYSA-N 341.333 2.982 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)Nc2cccc(Cl)c2)CC[C@H]1O 2356140058 RUFORJTVVIXKCG-CZUORRHYSA-N 340.807 2.810 0 50 EFAA COC(=O)c1coc(CN2CCC3(CC2)OCCc2sccc23)n1 2356142096 DEKJYTCVGVCNLW-UHFFFAOYSA-N 348.424 2.587 0 50 EFAA CC(C)c1nccc(CN2CCC[C@]23CCCN(C(C)C)C3=O)n1 2356169574 VFWOUMDWKMVKFA-LJQANCHMSA-N 330.476 2.965 0 50 EFAA C[C@@H](O)c1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1 4512834 DMCDXVZRZITAOS-MRXNPFEDSA-N 344.455 2.812 0 50 EFAA O=C(Nc1cnc(-c2ccccc2)nc1)c1nnc2ccccc2n1 342675061 JRNCPTAKPFYXAE-UHFFFAOYSA-N 328.335 2.734 0 50 EFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 8133131 ANNSXNWXNOPKOG-UHFFFAOYSA-N 344.436 2.634 0 50 EFAA CCC(CC)[C@@H]1C[C@H](NC(=O)[C@H]2CC(c3ccncc3)=NO2)CCO1 225358146 OYSATSBMVGDPBW-BPQIPLTHSA-N 345.443 2.675 0 50 EFAA CC(C)COc1ccccc1CN(C)C(=O)CCN1CCCC1=O 55308699 IREMGCQBAINOSK-UHFFFAOYSA-N 332.444 2.692 0 50 EFAA COc1ccc2onc(CC(=O)N(C)[C@@H](C)C3CCN(C)CC3)c2c1 415379172 QRIBEHQJXDBBIT-ZDUSSCGKSA-N 345.443 2.568 0 50 EFAA O=c1c2ccccc2nc(S)n1CCN1CCc2ccccc2C1 20154002 AQIQTUMNNCTEHO-UHFFFAOYSA-N 337.448 2.744 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](C)c1cccc(OC)c1)CC2 246957971 FXWASTORUKIUOF-ZTFGCOKTSA-N 347.455 2.577 0 50 EFAA O=C(N1C[C@H]2CC[C@H]1C2)C1(Oc2ccc(Cl)cc2)CCNCC1 102812294 CVFJRUDOTBYMSX-ZFWWWQNUSA-N 334.847 2.852 0 50 EFAA CCc1ncc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)cn1 67856396 MSFQZIXCMWUQBO-UHFFFAOYSA-N 349.394 2.860 0 50 EFAA CSC1(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CCC1 345762640 ASALVSBDLIZQTR-UHFFFAOYSA-N 333.501 2.658 0 50 EFAA COC[C@H](C)NCc1cc(=O)[nH]c(-c2csc3c2CCCC3)n1 63847112 VTQZHRZYGZMVQL-NSHDSACASA-N 333.457 2.502 0 50 EFAA COc1ccccc1CN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 137207423 KUAHQRGNRWOTBU-UHFFFAOYSA-N 343.814 2.989 0 50 EFAA CC(C)n1cnnc1CCNC(=O)C1(c2ccc(Cl)cc2)CC1 20538439 NYRUMGMPYIOYPA-UHFFFAOYSA-N 332.835 2.903 0 50 EFAA Cc1ccc(-c2noc([C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n2)o1 350193938 QREKDNVVYDSFSL-KGLIPLIRSA-N 343.383 2.547 0 50 EFAA CN(c1ccc(C(=O)NC2CCCCC2)c(Cl)c1)S(C)(=O)=O 65364051 BWQIHZWVSNFHAL-UHFFFAOYSA-N 344.864 2.798 0 50 EFAA CC(C)n1nccc1NC(=O)[C@@H](C)N(C)C[C@@H](O)c1ccc(F)cc1 229718242 UUPODGWAIANJMW-CZUORRHYSA-N 348.422 2.596 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c2cccnc12 230059552 VGEVBMRSFXPRIU-CVEARBPZSA-N 346.452 2.875 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cccc(Cn3cccn3)c2)n1 65459916 ZVECMDAGTDQGFC-INIZCTEOSA-N 337.427 2.736 0 50 EFAA CC(C)c1ccc(CCNC(=O)CN2CCCN3CCC[C@H]3C2)cc1 252474952 PGZWBDIMXRQBCR-FQEVSTJZSA-N 343.515 2.639 0 50 EFAA Cn1nccc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 209565 OEJQHYYIKNHAPF-UHFFFAOYSA-N 329.212 2.854 0 50 EFAA Cc1cnn([C@@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 2800271 YCZCAGXNDFVLAA-ZDUSSCGKSA-N 344.382 2.577 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 4111068 NTNXTMIQXWTLJA-QGZVFWFLSA-N 328.343 2.644 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72172916 PHSJPDBLXGWIAX-GOSISDBHSA-N 332.400 2.532 0 50 EFAA CN(Cc1ccncc1Cl)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328625178 CWQXISYTVBCTOZ-MAUKXSAKSA-N 347.894 2.983 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccc(N(C)C)cc2)cc1C(=O)O 432771804 MQLSDTJEEQYMHT-UHFFFAOYSA-N 334.397 2.560 0 50 EFAA CNC(=O)CN1CCC(N[C@@H]2CCCC[C@H]2C2=CCCCC2)CC1 151981498 VLTIORNOHUZGMB-RBUKOAKNSA-N 333.520 2.846 0 50 EFAA Nc1ccnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 72478398 PUGGDNNFXJTMJN-LBPRGKRZSA-N 325.199 2.944 0 50 EFAA Cc1cc(/C=C/C(=O)N2CC[C@H](CC(N)=O)C2)ccc1OC(C)C 377318535 UNDVDKCPPDOONO-BIENSFFJSA-N 330.428 2.519 0 50 EFAA Cn1cnc2c(-c3nc([C@@H]4CCO[C@H]4C(C)(C)C)no3)ccnc21 333654156 ZNRGFXPMYVISBC-DGCLKSJQSA-N 327.388 2.937 0 50 EFAA O[C@@H](c1cc2n(n1)CCN(c1nc3ccccc3s1)C2)C1CC1 219933048 UEIDFKZIBIGMNY-MRXNPFEDSA-N 326.425 2.956 0 50 EFAA COc1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)c(OCC2CC2)c1 373418650 RKQUUZCKHXWHJX-CQSZACIVSA-N 331.412 2.593 0 50 EFAA CCOc1cc(CN(C)C[C@@H]2COCCO2)c(Cl)cc1OC 215097962 GCNDDBAXRBZHEG-CYBMUJFWSA-N 329.824 2.595 0 50 EFAA CCNc1ncc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cn1 72468753 WPRGVKXJTUOMQP-UHFFFAOYSA-N 337.383 2.836 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)o1 215963670 PJADUONHNZJVCB-INIZCTEOSA-N 326.396 2.971 0 50 EFAA Cc1ocnc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72432382 CVHMHAJIJHXFBH-UHFFFAOYSA-N 329.444 2.710 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1CCn1ccnc1 82108338 ODTUURWBELGSNU-KRWDZBQOSA-N 343.475 2.637 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCc1ncc[nH]1 287463375 OAYXHFIHWSHTOX-WFASDCNBSA-N 333.819 2.984 0 50 EFAA CCNc1nc(C)c(C(=O)NCc2c(C)cc(C)nc2OC)s1 221440662 VEXSBZYAYKESHQ-UHFFFAOYSA-N 334.445 2.834 0 50 EFAA Cc1cc(C)nc(SCC(=O)NCc2nc3ccc(F)cc3[nH]2)n1 80872816 PTNVAINHPJJWKQ-UHFFFAOYSA-N 345.403 2.517 0 50 EFAA CNC(=O)Cn1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)cn1 426685373 OBJCXPXDONEYHW-HNNXBMFYSA-N 326.444 2.843 0 50 EFAA CC(C)[C@@H]1NCC[C@H]1C(=O)NCC(=O)Nc1cccc2ccccc12 290016274 QSUXFKHGXSPLJA-APWZRJJASA-N 339.439 2.529 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cc(N)ccn2)cc1 426406356 YFHLWSJEBIEUQQ-KRWDZBQOSA-N 325.412 2.972 0 50 EFAA CCN1C[C@@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)CC1=O 426562812 CGHQVYDFKWPREF-AWEZNQCLSA-N 343.452 2.603 0 50 EFAA Cc1ncsc1CCC(=O)N[C@@H](C(=O)O)c1ccccc1Cl 95371498 CMWYCHGHPJRTSM-CQSZACIVSA-N 338.816 2.980 0 50 EFAA CN1CC[C@]2(CCN(C(=O)NCc3csc(-c4ccco4)n3)C2)C1 292808455 ZTLXWTJYHFIYOQ-KRWDZBQOSA-N 346.456 2.640 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CC(Oc2ccccc2Cl)C1 95358241 GQUOWURKONTUBH-UHFFFAOYSA-N 328.759 2.515 0 50 EFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2s1 238109090 GRXNDYCYNQSLDI-CYBMUJFWSA-N 333.409 2.997 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)CN1Cc1cccnc1 97657160 JIEYFOCGXURHHA-MOPGFXCFSA-N 349.434 2.794 0 50 EFAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cnc(C)nc1 96160238 OPMSQJXNVMLORD-UHFFFAOYSA-N 336.399 2.610 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCCC2)c1 95521694 APVOQYKZDYYTEZ-LJQANCHMSA-N 338.455 2.889 0 50 EFAA O=C1C[C@H](Nc2nccc(-c3ccccn3)n2)CN1Cc1ccccc1 96163149 QAFGAWXLIPSLRW-INIZCTEOSA-N 345.406 2.752 0 50 EFAA O=C(Cc1ccc(O)c(F)c1)N1CC[C@H](Cc2cccc(CO)c2)C1 91417017 JHGUNXCLXYPCTO-MRXNPFEDSA-N 343.398 2.657 0 50 EFAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C2CCCCCC2)C1 95355512 SLEIITSWUODQPN-INIZCTEOSA-N 342.491 2.962 0 50 EFAA CN(C)[C@@H](C(=O)N(CCO)Cc1ccc(F)cc1)c1cccc(F)c1 91289605 RCCSFWDZRRTDDM-GOSISDBHSA-N 348.393 2.589 0 50 EFAA C[C@@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)c1cccs1 184374712 NEYYLHHHBLTGMJ-LLVKDONJSA-N 335.454 2.929 0 50 EFAA CCCc1ccc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1 252482654 DLRPBBRAHDUIIC-NRFANRHFSA-N 338.451 2.760 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 299745427 ZAPVLLVYQUKQEK-LLVKDONJSA-N 329.331 2.511 0 50 EFAA Cc1cccnc1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 534587725 DSNQOEWXKGMPKG-CQSZACIVSA-N 326.396 2.971 0 50 EFAA Cc1c(OCC(=O)Nc2ccncc2)c(=O)ccn1CCC(C)C 263587009 BBJLXOJCROSWKY-UHFFFAOYSA-N 329.400 2.615 0 50 EFAA O=C(CCCn1cnnn1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 299796057 NOMBKMJFIOZMFX-CQSZACIVSA-N 333.823 2.513 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(-n3cnnc3)ccc2C)C1 299764274 ZAYNWVIQSCEKES-MRXNPFEDSA-N 343.431 2.999 0 50 EFAA COc1cc(NC(=O)N2CCCN(C(=O)C3CCC3)CC2)ccc1C 299768560 PBPRTHUNPXHOPL-UHFFFAOYSA-N 345.443 2.870 0 50 EFAA COc1ccccc1CCc1nc(C(C)C)nn1C[C@H]1COCCO1 584899652 AXQHOHCDDDWVGD-INIZCTEOSA-N 345.443 2.611 0 50 EFAA O=C(N=c1cc[nH]cc1Br)NC1(C(F)(F)F)CCC1 1345266113 XJWZSBZISLABJG-UHFFFAOYSA-N 338.127 2.873 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)C2(N3CCCC3)CCCCC2)cc1 952867110 IVDZDCYHSQRTNR-SFHVURJKSA-N 330.472 2.943 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)NCCc2csc(-c3ccncc3)n2)C1 952991685 REIFCHYLLDSKJM-OAHLLOKOSA-N 344.440 2.665 0 50 EFAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)NC2(C(N)=O)CCCCC2)c1 952974548 BCODAJRODPZMJM-CYBMUJFWSA-N 345.443 2.589 0 50 EFAA CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)s1 952974261 AIEWNTYRXHXSIX-SNVBAGLBSA-N 344.392 2.947 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)Nc2cccnc2)C2CCOCC2)n1 275505311 KSNDKMYQBKHHNU-AWEZNQCLSA-N 345.403 2.877 0 50 EFAA CCc1noc(CC)c1CC(=O)NC[C@@H]1Cc2ccccc2N(C)C1 170086595 IMWHLBDNAXPDAH-AWEZNQCLSA-N 341.455 2.767 0 50 EFAA Cn1cc([C@@H]2CSCCN2CCC(=O)Nc2ccccc2F)cn1 170612054 WHWNZEZMEZAYOA-INIZCTEOSA-N 348.447 2.678 0 50 EFAA CN(C)CCOCCN[C@H]1CCc2c(Br)cccc21 170606795 OLRXGOZJUQSIOM-HNNXBMFYSA-N 327.266 2.604 0 50 EFAA Cc1cc(N2CC[C@@H](OC(C)(C)C)C2)n2nc(C(F)(F)F)nc2n1 170601942 SQCRYCUFXRNCAU-SNVBAGLBSA-N 343.353 2.845 0 50 EFAA CN1Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2NC1=O 187065379 BHZBAOVBKJDNPA-UHFFFAOYSA-N 335.360 2.604 0 50 EFAA Cc1cc(O)nc(C(C)(C)NC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)n1 636112506 YKARHRCGDLANNW-DAXOMENPSA-N 325.412 2.892 0 50 EFAA CCOC(=O)c1cc2cc(N[C@H](C)c3nnnn3C)ccc2s1 189765560 RTXYJWBTACKXHU-SECBINFHSA-N 331.401 2.775 0 50 EFAA CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2)C1 191372385 KWYCWFQNNBWXQF-QWHCGFSZSA-N 327.222 2.816 0 50 EFAA CC1(C)CN(C(=O)Nc2ccc(C(N)=O)nc2)CC[C@H]1C(F)(F)F 192330774 DXUILPKMIBARNK-LLVKDONJSA-N 344.337 2.623 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@H](OCc3ccncc3)C2)cc1 192898195 AZGWMYXXISAYRU-KRWDZBQOSA-N 346.452 2.671 0 50 EFAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 193715374 BAWOICOIYVEIFP-KSZLIROESA-N 344.455 2.897 0 50 EFAA O=C(NCCO)c1ccc(NCc2cc(F)ccc2F)cc1Cl 194343527 WIZZRXJSWPQFHW-UHFFFAOYSA-N 340.757 2.952 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 194993002 NCOUKCQEXBIBRK-FJNPEDAXSA-N 344.434 2.962 0 50 EFAA Cc1ccc(CNC(=O)[C@@]2(C)CCCCN2)c(OC[C@H]2CCOC2)c1 195556998 SVCDHVLTFJEZPA-OXJNMPFZSA-N 346.471 2.559 0 50 EFAA CCn1c(O)nc2ccc(C(=O)NC3(CC(=O)O)CCCCC3)cc21 663120148 SEGQMUBMBAPJKJ-UHFFFAOYSA-N 345.399 2.669 0 50 EFAA O[C@@]1(Cn2ccnn2)CCCN(c2ccnc3ccc(Cl)cc23)C1 671430951 WWPJDBHLDYMSFI-KRWDZBQOSA-N 343.818 2.511 0 50 EFAA Cc1ccc(CSc2ncn(Cc3nnc4n3CCCC4)n2)cc1 683737412 MQTWMYPPGUXJLC-UHFFFAOYSA-N 340.456 2.855 0 50 EFAA CNc1cc(-c2nc(-c3cnc4cnccn34)no2)cc(Cl)n1 771541195 FETWVHOKPQOPKM-UHFFFAOYSA-N 327.735 2.536 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccncc1 536836 MZTVUVXXOSTNDW-OAHLLOKOSA-N 337.162 2.801 0 50 EFAA COc1cc(-c2onc(N(C)C)c2C(=O)NC2CCC2)ccc1F 1704315571 KQGMGFGXZOATLG-UHFFFAOYSA-N 333.363 2.838 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@H]([C@@H](C)O)C2)c1Br 120880132 JYFMGGJBGTXFNI-MNOVXSKESA-N 327.222 2.992 0 50 EFAA O=C(C1CC1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12385610 VJHAGSXEZYQUBW-LJQANCHMSA-N 348.393 2.716 0 50 EFAA O=C(OCCN1CCOCC1)C(c1ccccc1)c1ccccc1 19798058 ZPOROEBGHMWWDI-UHFFFAOYSA-N 325.408 2.694 0 50 EFAA O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)Nc2ccc(Cl)cc21 4870348 BLVJEXZXEYKDSX-SCLBCKFNSA-N 327.767 2.925 0 50 EFAA Cc1ccc2nc(C(=O)N[C@@H]3CCCc4c3c(C)nn4C)c(F)n2c1 1857667489 YMOGYBMSAKSVEJ-GFCCVEGCSA-N 341.390 2.631 0 50 EFAA Cc1cnc(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)cn1 1857667688 PWSPZWCFNLQFLF-UHFFFAOYSA-N 333.439 2.786 0 50 EFAA CCc1nc(-c2nc3ccccn3c2C)n([C@@H]2CCCC[C@H]2O)n1 1857677850 OVYWMSKHEKZKOH-ZIAGYGMSSA-N 325.416 2.940 0 50 EFAA O=C1CC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)OCCN1 1857688494 MWFYIULZEZUJBD-UHFFFAOYSA-N 347.459 2.593 0 50 EFAA NC(=O)c1ccccc1NC(=O)COc1ccccc1Br 37977 AUANGSMSVCKNSK-UHFFFAOYSA-N 349.184 2.566 0 50 EFAA CCNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 408513070 BYKGBHSQOKNZFC-QMMMGPOBSA-N 345.184 2.840 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2C 125621147 XKBQITQGORUCSL-KRWDZBQOSA-N 338.407 2.792 0 50 EFAA C[C@H](C(=O)N1CC[C@](C)(C(=O)O)C1)c1ccc(Br)s1 237413716 TZIKOSOVEJLOMU-SDBXPKJASA-N 346.246 2.937 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCCc2nc3ccccc3s2)C1 237643664 KNOBZUUGRDHVNN-QGZVFWFLSA-N 332.425 2.942 0 50 EFAA COCC1CCC(NC(=O)N2CC(C)(C)[C@H]2c2nccn2C)CC1 334111625 CJEQAQRTHVSJBL-YMAMQOFZSA-N 334.464 2.718 0 50 EFAA CC(=O)N1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)c2ccccc21 339852825 BIBVEYTZMJCEQP-OAHLLOKOSA-N 346.818 2.541 0 50 EFAA Cn1c(CNC(=O)[C@@H]2CCCc3nccn32)nc2cccc(Cl)c21 355913503 WWWCCXHNCSKZBR-ZDUSSCGKSA-N 343.818 2.617 0 50 EFAA CC(C)[C@H]1CCCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 265298225 PDUMXQGSXSEKRU-AWEZNQCLSA-N 343.431 2.744 0 50 EFAA Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)ccc1-n1cncn1 901621401 HAFUKJFVXHTDKW-SFHVURJKSA-N 348.406 2.760 0 50 EFAA Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCOCC34CC4)cc12 801742799 FRFGFTABOASOCQ-UHFFFAOYSA-N 348.406 2.734 0 50 EFAA O=C(c1cccc(Nc2nccs2)c1)N1CCN(C(=O)C2CC2)C1 823127471 GENQHGRONKVFTG-UHFFFAOYSA-N 342.424 2.539 0 50 EFAA C[C@H](NC(=O)CN1CCC(c2ccn(C)n2)CC1)c1ccc(F)cc1 932145882 SCMDMOFEDOQSRD-AWEZNQCLSA-N 344.434 2.616 0 50 EFAA CCc1ccc2c(CNCCc3nnc4ccccn34)cc(=O)oc2c1 952874676 UJDHOGZQRWLRAO-UHFFFAOYSA-N 348.406 2.730 0 50 EFAA Cc1ccsc1-c1noc([C@@H]2CCCCN2S(C)(=O)=O)n1 952876407 PPQSVTPITNLHPD-JTQLQIEISA-N 327.431 2.593 0 50 EFAA COc1nscc1[C@H](C)Nc1ccc(N2CCOCC2)nc1C 1875285738 XRQPDIIUKICSQC-NSHDSACASA-N 334.445 2.865 0 50 EFAA CC(C)c1ccc(-n2cc(C3CN(C(=O)[C@H]4CC4(F)F)C3)nn2)cc1 1875354292 TWOHSWOLBXFPFQ-OAHLLOKOSA-N 346.381 2.972 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1c1nnc(C2CC2)o1 1875327360 WLEOLSQEDBOMSM-CVEARBPZSA-N 327.384 2.848 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)cn1 886097330 TZDZNWVXZQOWJE-KRWDZBQOSA-N 348.410 2.530 0 50 EFAA O=C(NCC[C@H]1CCC(F)(F)C1)c1cncc(N2CCCC2=O)c1 889994848 CKBANCWDHZXCKX-GFCCVEGCSA-N 337.370 2.764 0 50 EFAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 111347 ZIFIHGJSPPFWCY-CQSZACIVSA-N 337.206 2.820 0 50 EFAA COc1ccccc1OC1CCN(Cc2ccn3ncnc3c2)CC1 2100556876 UEUUCZBHFCTEIR-UHFFFAOYSA-N 338.411 2.781 0 50 EFAA CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23 816430 SLBPKFCSAUXIQA-UHFFFAOYSA-N 330.409 2.604 0 50 EFAA O=C(c1nc(-c2ccccc2)no1)N1CCC12CCC(CO)CC2 2325760079 FEYCSMZDGRYQQH-UHFFFAOYSA-N 327.384 2.504 0 50 EFAA CC1(C)CCCO[C@@H]1CCNC(=O)[C@H]1CCCN1Cc1ccccn1 2325782773 FDXHLFAOKYJIMV-QZTJIDSGSA-N 345.487 2.758 0 50 EFAA Cc1cc(C)c(CCNC(=O)c2cc(C(N)=O)ccc2F)cc1C 2325785426 XRRCZWAJTXUWKR-UHFFFAOYSA-N 328.387 2.822 0 50 EFAA Cc1ccc(NC(=O)C2(c3cccc(-c4nn[nH]n4)c3)CCC2)nc1 2325806706 BLFJCLSXAVERJW-UHFFFAOYSA-N 334.383 2.631 0 50 EFAA O=C(Cn1nccn1)N1CCC(C2(c3cccc(Cl)c3)CC2)CC1 2325810841 IMUXZWUNMQOKMW-UHFFFAOYSA-N 344.846 2.902 0 50 EFAA COc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCCC4CCC4)C[C@@H]32)cc1 962386667 ZNDUHGSVGPLQGL-BWTSREIZSA-N 328.456 2.936 0 50 EFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2)cc1 275843 ZNRQABQUHMHPRY-KRWDZBQOSA-N 337.379 2.962 0 50 EFAA COc1cccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)c1 456625 TYWJKZUSEUMBPS-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA CC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 466340 XIHDXDLBYHZIHI-UHFFFAOYSA-N 330.413 2.783 0 50 EFAA Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(N)=O)cc1 615104 QDVAEVZNHDQKAZ-UHFFFAOYSA-N 344.465 2.805 0 50 EFAA O=C1CSC(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 974654 BFCZOAOTLIAYFJ-LBPRGKRZSA-N 340.404 2.851 0 50 EFAA Cc1noc(CSCC(=O)NCc2cccc3ncsc23)n1 2356159163 OPUGQUQLIQPLGR-UHFFFAOYSA-N 334.426 2.537 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCCC1 4838569 ZPDPBSPXJHHZLY-UHFFFAOYSA-N 337.445 2.535 0 50 EFAA CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 4856275 QBWDILFAORIDPG-UHFFFAOYSA-N 330.771 2.798 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6700759 MCDZMWRIJRNHGI-UHFFFAOYSA-N 326.418 2.866 0 50 EFAA O=C(Nc1nnc(CCCOc2ccccc2)s1)[C@@H]1CCCO1 6728611 ILXHFKTVEHDQGX-ZDUSSCGKSA-N 333.413 2.667 0 50 EFAA O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCc2ccccc21 6759252 JMRMVDNFFTWBFP-UHFFFAOYSA-N 328.755 2.837 0 50 EFAA C[C@@H](NC(=O)c1ccccc1NC(=O)CCC(=O)O)c1ccccc1 8722808 XTIUWJGFDKTGBD-CYBMUJFWSA-N 340.379 2.981 0 50 EFAA CN(C)CCN(Cc1ccsc1)C(=O)c1nc2c(s1)CCC2 415780128 CCWYIBDARSXZRN-UHFFFAOYSA-N 335.498 2.897 0 50 EFAA Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)n3)C2=O)cc1 100120783 KRWMYBIIZOBSFL-CQSZACIVSA-N 327.409 2.826 0 50 EFAA CC[C@H]1COCCN1C(=O)Nc1cc(C)nn1Cc1ccccc1 115641427 OQVPEMNSTWRVJZ-INIZCTEOSA-N 328.416 2.883 0 50 EFAA Cc1c(Cl)ccc2c1N(C(=O)C[C@H]1CCS(=O)(=O)C1)CCC2 134410340 PUFVYZBWJQGWRM-GFCCVEGCSA-N 341.860 2.752 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@H](CCN)C3)c(C)o2)cc1 67675365 KTVJPKDALYGDGK-OAHLLOKOSA-N 347.484 2.922 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1C 20542127 BWQHJPCCDSAJNM-IBGZPJMESA-N 332.488 2.815 0 50 EFAA COc1cccc([C@H]2CCN(C(=O)c3ccncc3F)C2)c1OC 219791383 KBXWDNFACQSHJU-LBPRGKRZSA-N 330.359 2.868 0 50 EFAA COc1ccc(CN2CCN(C3CCC3)C[C@@H]2CCO)c(C)c1C 20598871 XDPHBKOALKJHGT-IBGZPJMESA-N 332.488 2.733 0 50 EFAA CC(C)n1ccc(=O)nc1SC[C@H]1CN(c2ccccc2)C(=O)O1 118613029 YGEOXWAIDOPQEX-CQSZACIVSA-N 345.424 2.942 0 50 EFAA CCC1=NN(C(=O)c2cccc(OC)c2)[C@@](O)(c2ccncc2)C1 302835 OSLRRKNNZSRLPY-SFHVURJKSA-N 325.368 2.547 0 50 EFAA CCCc1noc([C@H](C)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1 229558870 WVSVCSDUGDFFDK-AAEUAGOBSA-N 347.415 2.650 0 50 EFAA C[C@H](Cn1cccn1)NC[C@@H](O)COc1c(Cl)cccc1Cl 314744196 CLXHPHBDRWMHNM-VXGBXAGGSA-N 344.242 2.608 0 50 EFAA CCCCc1nc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)c[nH]1 39442162 VBXQRPPKBJFTBL-GOSISDBHSA-N 334.508 2.587 0 50 EFAA CCN(C1CCCC1)S(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 321841423 HVJMHFRVBSTCOE-UHFFFAOYSA-N 337.441 2.756 0 50 EFAA CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccn(Cc3ccccc3)c2)C1 359009036 LFLDPZWRRADISC-QFBILLFUSA-N 325.456 2.995 0 50 EFAA CS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 152123058 HXYBQMCUEUXFQC-HNNXBMFYSA-N 337.445 2.855 0 50 EFAA Cn1cc([C@H](O)C[C@H]2CCCN2c2ncc(C(F)(F)F)s2)cn1 328589024 XYFVGLXZUVUUHF-GHMZBOCLSA-N 346.378 2.988 0 50 EFAA O=C1OCc2ccc(S(=O)(=O)N3CC[C@H]3c3ccccc3F)cc21 364380244 WGZPKESYSOQEKY-INIZCTEOSA-N 347.367 2.632 0 50 EFAA O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1csc(O)n1 368199691 GQYBERHEOMAZPN-AWEZNQCLSA-N 330.409 2.673 0 50 EFAA CN1CCN(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)CC1 72478649 PEGGHEIQNWLEFN-KRWDZBQOSA-N 331.460 2.547 0 50 EFAA Cc1nc2ccc(Cl)cn2c1C(=O)NCC1(Cn2ccnc2)CC1 71775620 QXCIXJFPOKVQGQ-UHFFFAOYSA-N 343.818 2.703 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 331718597 QFNNECHLMBJTHY-CSFVBSKPSA-N 348.418 2.721 0 50 EFAA Cc1csc(N(C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)n1 172823040 LCHJBQYNCTVXOT-UHFFFAOYSA-N 343.452 2.967 0 50 EFAA c1cn(Cc2ccc(N3CCCN(C4CCCC4)CC3)nc2)cn1 77505060 CJBVRBJOYZFGJH-UHFFFAOYSA-N 325.460 2.781 0 50 EFAA COc1ncc(CN[C@H]2c3ccccc3CC23CCOCC3)c(C)n1 377640420 IJUYRXSZYNXIMB-SFHVURJKSA-N 339.439 2.977 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 237267612 SPZHQYZKAUJDHQ-AWEZNQCLSA-N 329.444 2.566 0 50 EFAA CCc1cc(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cs1 72429235 NPKODVYVBOCUSG-UHFFFAOYSA-N 347.440 2.570 0 50 EFAA O=C(C1CCC(c2ccccc2)CC1)N1CC[C@H](N2CCOCC2)C1 173921198 UJXBIVYCNARVFS-MHJFOBGBSA-N 342.483 2.894 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)C[C@@H]1OCCc2ccccc21 237985804 YMXXHGOHCJHMTL-WBVHZDCISA-N 331.412 2.936 0 50 EFAA Cc1ccc(CCNS(=O)(=O)C[C@H]2CCCC3(CCC3)O2)o1 1365031403 JUGNTPOCKVLMAO-OAHLLOKOSA-N 327.446 2.542 0 50 EFAA COc1cccnc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 426434781 BLWQBXOVNYLAEJ-WKILWMFISA-N 326.396 2.791 0 50 EFAA C[C@H](CNC(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1 43305955 MTMBSZJRGXXRDY-QGZVFWFLSA-N 338.455 2.713 0 50 EFAA CN(CCOc1cccc(Cl)c1)c1cc(C2CC(N)C2)ncn1 223884766 KSORIXAZJKSDLU-UHFFFAOYSA-N 332.835 2.850 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)NCCc1nc2ccccc2n1C 426412802 NUKOQJDJFJVBNG-OAHLLOKOSA-N 344.459 2.716 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)c2ccccc2n1 426388119 FVAPPCJUWYVQMC-LBPRGKRZSA-N 338.367 2.646 0 50 EFAA C[C@@H](NCc1cccnc1-n1cccn1)c1ccc2c(c1)OCCO2 177905274 GHJBZNWDAMPRIF-CQSZACIVSA-N 336.395 2.889 0 50 EFAA O=C(Nc1cccc2c1CCC2)N1CCN([C@H]2CCCC[C@@H]2O)CC1 95511414 FFVZDTIEPTUAAZ-OALUTQOASA-N 343.471 2.628 0 50 EFAA Cc1nc(-c2ccc3oc(C)cc3c2)n([C@@H]2CCS(=O)(=O)C2)n1 96152549 VWEDTSDRKPICDX-CQSZACIVSA-N 331.397 2.668 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1 178968487 YCCBNMKSVCQKAQ-VMZHVLLKSA-N 329.263 2.592 0 50 EFAA Cc1ccc(CNC(=O)N2CCC[C@H](N3CCCC3=O)CC2)c(C)c1 334021999 DJSDIPZHHXHQCZ-SFHVURJKSA-N 343.471 2.990 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)c1C 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Cc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)nc(C)n1 347666472 OHEVTPTUKNKCQS-MRXNPFEDSA-N 327.384 2.904 0 50 EFAA COCC1(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)CCCC1 534666990 DZBULLBGHBFVFO-INIZCTEOSA-N 334.464 2.512 0 50 EFAA CN(CCn1ccc2ccccc21)C(=O)CCN1CCCCCC1=O 823628276 ZDZZOMJXYXICEO-UHFFFAOYSA-N 341.455 2.892 0 50 EFAA Cc1nc(S(=O)(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cn1C 825636494 PSIWLCYLYUJQKD-AWEZNQCLSA-N 336.461 2.579 0 50 EFAA C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1nnc(N)s1 670474215 PETAUTVVBZVAHR-NSHDSACASA-N 331.445 2.602 0 50 EFAA CC(=O)c1cc(CNCc2cnn(-c3cccc(F)c3)c2)n(C)c1 952974611 WGHSYKXDXQEVEE-UHFFFAOYSA-N 326.375 2.842 0 50 EFAA Cc1sc(C(=O)N[C@]2(CO)CCOC2)cc1-c1ccc(F)cc1 185277336 YQXIPMUFEWATOC-KRWDZBQOSA-N 335.400 2.744 0 50 EFAA O=S(=O)(Cc1ccc(F)cc1)N1CCCN(C2CCCC2)CC1 952972342 OXHNXPZUJJQEDL-UHFFFAOYSA-N 340.464 2.606 0 50 EFAA CCN(CC)C(=O)CCC(=O)N1CCCc2c(NC(C)=O)cccc21 267927702 COASEXUIXDOWTB-UHFFFAOYSA-N 345.443 2.573 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCCOC2)s1 408411824 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CS(=O)(=O)Cc1cccc(CNC(=O)C2(c3ccccc3)CC2)c1 194718401 VKGNZXBONMLUDT-UHFFFAOYSA-N 343.448 2.579 0 50 EFAA CC(C)C(=O)Nc1ccc(CNC(=O)NCC2CCOCC2)cc1 194820206 UXUQFJQOMWSGKE-UHFFFAOYSA-N 333.432 2.507 0 50 EFAA Cc1nc(S(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)sc1C 195558230 DVVBRGATZXTQER-UHFFFAOYSA-N 338.458 2.538 0 50 EFAA Cc1[nH]nc2ncc(C(=O)c3cc(Br)ccc3O)cc12 198041724 FDYKDIPDXOGISL-UHFFFAOYSA-N 332.157 2.965 0 50 EFAA C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)COCc2nccn2C)C1 669247969 VIJQSBVJMNMYON-BBRMVZONSA-N 331.391 2.686 0 50 EFAA O=C(O)C[C@H](NS(=O)(=O)c1ccsc1)c1ccc(F)cc1F 671644848 QYZYBEZQBCXPDU-LBPRGKRZSA-N 347.364 2.521 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2cccc(-c3ccccc3)c2)O1 682525699 MMFSYAQLVZIMFI-MSOLQXFVSA-N 339.391 2.645 0 50 EFAA CC1(C)CN(S(=O)(=O)c2cccc(CC(=O)O)c2)c2ccccc21 685901755 UGWVJQJIVWGSCJ-UHFFFAOYSA-N 345.420 2.800 0 50 EFAA COc1cc(NC(=O)C(=O)NCc2ccccc2)c(OC)cc1Cl 2025798 PHNDDXMAEVAPCQ-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA CCN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(C)c(C)cc1OC 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LZOPCYQYEZFXIV-UHFFFAOYSA-N 340.427 2.795 0 50 EFAA C[C@@H](C(=O)N1CCCCC[C@H]1C=Cc1ccccc1)S(C)(=O)=O 1857533278 GGMSCZKMOWVOSR-RDJZCZTQSA-N 335.469 2.904 0 50 EFAA CC[C@]12COC(=O)N1CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 1857666847 PRLWTZQSCAQVFA-SFHVURJKSA-N 344.390 2.632 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc3nc(C)sc3c1)C2 1857676271 NJBKQZHFVBCIRG-KRWDZBQOSA-N 345.424 2.662 0 50 EFAA COc1cccc(C2(F)CCN(C(=O)c3ccc(C)nn3)CC2)c1 412309993 CQQVXTAGFVEBFN-UHFFFAOYSA-N 329.375 2.895 0 50 EFAA Cc1cnccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 122054682 DYHOUPVIUFIGJU-OAHLLOKOSA-N 344.802 2.970 0 50 EFAA O=C(NC1(C(=O)O)CCC1)c1[nH]c2ccccc2c1Br 237965066 KLFRGCACDRSSAY-UHFFFAOYSA-N 337.173 2.668 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 237959593 KYCYIJHXDHKSBF-INIZCTEOSA-N 341.411 2.518 0 50 EFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@@H](c2ccc(Cl)s2)C1 375238396 CJOGIJFHFUULSC-LLVKDONJSA-N 348.815 2.887 0 50 EFAA Cc1nc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)ccc1Br 162579018 UWVOSUAHJROCFE-XYPYZODXSA-N 342.237 2.825 0 50 EFAA Cc1cnc2c(cnn2CC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1 900738088 CNHRXXNMZDDBSH-CYBMUJFWSA-N 336.395 2.552 0 50 EFAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CCN1CC[C@@H](CO)C1)C2 904217645 JJJMVORFSNVEIP-IKGGRYGDSA-N 338.492 2.869 0 50 EFAA O=C(Nc1ccncn1)N1CC(Cc2cccc(Br)c2)C1 904219606 QKFMZONDCXFGDB-UHFFFAOYSA-N 347.216 2.946 0 50 EFAA C[C@H](c1ncccn1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 929885997 BOWPJVWVHQZBQT-GFCCVEGCSA-N 345.834 2.937 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2oc(O)nc2c1 850049295 UUZHYPDUQVSIPV-MEDUHNTESA-N 328.372 2.847 0 50 EFAA CC(C)c1ocnc1C(=O)N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1 857633486 HCPLXSWUXZLBNW-PBHICJAKSA-N 344.415 2.665 0 50 EFAA CN1CC[C@@](C)(c2nc(-c3cccc(Br)c3)no2)C1=O 874435612 ZFSVSXXKQAJCHA-AWEZNQCLSA-N 336.189 2.619 0 50 EFAA COc1ccccc1[C@@H](C)CNC(=O)[C@H]1NCCOc2ccccc21 1875277252 MHAOGQSVQYJPFN-LIRRHRJNSA-N 340.423 2.638 0 50 EFAA Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2nccs2)c2c1CCC2 1875396848 FMUOLRVNZAZHKQ-AWEZNQCLSA-N 330.409 2.886 0 50 EFAA C=CC(=O)N(Cc1cnc(C)n1-c1ccccc1)C[C@H]1CCCO1 1875375545 DGWOYHYFARXYAP-GOSISDBHSA-N 325.412 2.874 0 50 EFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1occc1-c1ccccc1 886080391 QKDJTMDGIVXZRH-GOSISDBHSA-N 329.352 2.652 0 50 EFAA Cc1cnc(CCNC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)s1 888103079 FIJAGQKTJJQPGR-INIZCTEOSA-N 349.500 2.985 0 50 EFAA O=C(NCC12CCCN1CCC2)c1ccc(F)cc1OC(F)F 1775988070 AUOOMRNFOXZKQI-UHFFFAOYSA-N 328.334 2.785 0 50 EFAA O=C(Cc1cscn1)N(CCCO)[C@H]1CCCc2ccccc21 1775992850 WKPFPWLIWUAVDF-KRWDZBQOSA-N 330.453 2.974 0 50 EFAA CCC(=O)NC1CN(C(=O)c2ccc(C)c(Oc3ccncc3)c2)C1 2325742826 KQISHCUCJOVILW-UHFFFAOYSA-N 339.395 2.533 0 50 EFAA Cc1ccc2c(c1)CN(C(=O)Cc1ccc(C(=O)O)c(F)c1)CC2 2325784221 KGYXSVJCXWHZFR-UHFFFAOYSA-N 327.355 2.960 0 50 EFAA C[C@@H](NCCn1ncc2ccccc2c1=O)c1ccc2n[nH]cc2c1 2325859181 QKVADPFCLIEDLH-CYBMUJFWSA-N 333.395 2.624 0 50 EFAA COc1ccc(NC(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)cc1C 245339417 SOOXHWNJAZNHBM-XIRDDKMYSA-N 329.444 2.952 0 50 EFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(Cc2ccccc2)C1=O 84342 FPQBGNKSJQDCDX-HNNXBMFYSA-N 341.388 2.805 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)c(F)c1 119225 BSFMKDRNNUYKNT-UHFFFAOYSA-N 330.290 2.590 0 50 EFAA COc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1 184803 ASTTZWGVUXPTPN-UHFFFAOYSA-N 343.774 2.641 0 50 EFAA COc1cc(NC(=S)NC[C@H](O)c2ccccc2)cc(OC)c1 305235 ZJDCGGNNIQWENZ-INIZCTEOSA-N 332.425 2.724 0 50 EFAA Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C 433011 DVKMGXCOXZYVHG-UHFFFAOYSA-N 338.407 2.995 0 50 EFAA CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 468988 TVEZUWINMIJMIX-UHFFFAOYSA-N 346.452 2.962 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 137229274 QLZNKUFYDHZEFR-QGPMSJSTSA-N 333.451 2.882 0 50 EFAA Cc1n[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1=O 3249040 RRGDQDSMZIIUGO-UHFFFAOYSA-N 345.211 2.511 0 50 EFAA CCC[C@]1(C(=O)O)CCN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1O 2356150060 JUZUCEZLEGBSJC-WFASDCNBSA-N 346.349 2.851 0 50 EFAA COc1c(F)cccc1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356163731 OTXNBFFFWACZLM-LJQANCHMSA-N 346.402 2.594 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(F)cccc1Cl 4198899 YBPXPSICTROIJY-JTQLQIEISA-N 341.766 2.546 0 50 EFAA COc1cc(C(=O)Nc2cccc(OC(C)=O)c2)cc(OC)c1OC 4825415 FIVKOLJPHYCSGS-UHFFFAOYSA-N 345.351 2.890 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 4843308 RGKGCAGLGYYKJF-UHFFFAOYSA-N 348.424 2.636 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(CCn3c(C)nc4ccccc43)[C@@H]2C1 225339378 VMQOEAIXVGFODZ-ATZDWAIDSA-N 329.444 2.613 0 50 EFAA CC[C@@H](C)n1nccc1NC(=O)CCn1cnc2ccccc2c1=O 55371047 NOXGDHLWTINCQX-CYBMUJFWSA-N 339.399 2.593 0 50 EFAA COc1ccc(C[C@@H](C)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 248032604 ILHCMMGMFXMYRQ-DOMZBBRYSA-N 344.377 2.721 0 50 EFAA C[C@@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)N1CCOCC1 346217543 FXFJYFLIJLVJSZ-AWEZNQCLSA-N 343.431 2.515 0 50 EFAA Cc1ccc2nc(CCNC(=O)C3CCN(C(C)C)CC3)[nH]c2c1C 67724683 OEBZTEBSOKGGDB-UHFFFAOYSA-N 342.487 2.959 0 50 EFAA C[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc3nn[nH]c3c2)no1 350490873 VMYRIUNMIIKXAB-SECBINFHSA-N 328.376 2.621 0 50 EFAA O=C(NC[C@H](O)COc1ccccc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 229262587 BOXWGEWAFRFEMD-MJBXVCDLSA-N 345.361 2.911 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1c(C)noc1C)CO2 121172444 QLPQLRCOCWKVAC-AWEZNQCLSA-N 330.384 2.510 0 50 EFAA COc1ccccc1-c1ncc(CN2CCC(=O)NC[C@@H]2C)s1 67741608 ZKRAWDKSXSIOTI-LBPRGKRZSA-N 331.441 2.529 0 50 EFAA Cc1nc(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)nn1-c1ccccc1 252477484 OTFWQULCYYYQOH-ARFHVFGLSA-N 341.411 2.936 0 50 EFAA CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(c2ccccc2)CC1 328592241 XDUDNNXCIOARTJ-UHFFFAOYSA-N 337.423 2.527 0 50 EFAA Cc1nc(CN2CCC(CNC(=O)NCc3ccoc3)CC2)oc1C 171859031 YBVGWGORGXEFMF-UHFFFAOYSA-N 346.431 2.596 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1C 151003258 MIBYOAFOBJLNBC-UHFFFAOYSA-N 343.412 2.943 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccoc2)CC1 328644019 RNPOTGCNFQSFNB-SFHVURJKSA-N 327.428 2.730 0 50 EFAA CN(C)c1ccc(CN2CCC(OCc3ccccn3)CC2)cn1 216076294 KSXSYOZSXWLFNO-UHFFFAOYSA-N 326.444 2.724 0 50 EFAA 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CC(C)[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ncnn1C 72475237 UVJKYJPQCZBHPD-MRXNPFEDSA-N 344.459 2.646 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@H](C)Cn1ncc2ccccc21 242288011 YKKDLVDYNNBBDR-GFCCVEGCSA-N 337.383 2.665 0 50 EFAA O=C(c1cccc2c1CCC2)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263139901 WNJCCGNBIXLOON-HNNXBMFYSA-N 327.302 2.655 0 50 EFAA O=c1[nH]nc([C@@H]2CCCN(CCc3ccccc3)C2)n1-c1ccccc1 71762787 CALBSKWMJVWCHC-GOSISDBHSA-N 348.450 2.983 0 50 EFAA COc1ccccc1N1CCC(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)CC1 174458986 XUIIWXZRDJSFNY-HOTGVXAUSA-N 343.471 2.961 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccncc3)cc2)C1 263498264 RVJGUXZEIHDRIN-CQSZACIVSA-N 341.367 2.599 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1Cc2ccccc2[C@@H](O)C1 82127343 JAUWQTCDAUQONO-IBGZPJMESA-N 335.407 2.811 0 50 EFAA Cc1ccc(N2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cc1 139186512 IGWYASFWZMVNTJ-UHFFFAOYSA-N 341.459 2.565 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](c1cccc(F)c1)N(C)C 223422051 FWMJADBVGCOBNZ-SFHVURJKSA-N 346.450 2.860 0 50 EFAA 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CC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 91820259 AEFDGKFWRRBZMP-INIZCTEOSA-N 325.792 2.692 0 50 EFAA CCNC(=O)CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 91943597 JLPUSJZDWODVPY-INIZCTEOSA-N 332.444 2.505 0 50 EFAA O=C1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)N1 294690494 ULNAZPFOTIABSR-MRCXROJRSA-N 341.238 2.882 0 50 EFAA O=C(NCC1(CO)CCC1)c1ccc(-c2nc(C3CC3)no2)cc1 183258940 GPTYLCWXCZHHAQ-UHFFFAOYSA-N 327.384 2.506 0 50 EFAA C/C=C/C[C@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 184016505 WQDUSECIVDILJJ-FAQJLRJSSA-N 334.416 2.857 0 50 EFAA Cc1cnn(CC2CCN(C(=O)CSc3ccncc3)CC2)c1 299798336 SJHIMNHFTSYLAE-UHFFFAOYSA-N 330.457 2.617 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)Cc3ccccc3C(F)(F)F)C2)n1 299786240 UIKUFWIOZXOWQZ-GFCCVEGCSA-N 339.317 2.955 0 50 EFAA O=C(c1cccc(-c2ncccn2)c1)N1CCN(Cc2ccco2)CC1 299792141 GOZJNKNWWCQELS-UHFFFAOYSA-N 348.406 2.695 0 50 EFAA COc1ccc(NC(=O)N(Cc2nccs2)C2CC2)c(OC)n1 299768911 ZYINLJVQANAQEB-UHFFFAOYSA-N 334.401 2.752 0 50 EFAA CSCCNC(=O)C1CCN(c2nc(C)c3ccccc3n2)CC1 299761058 QOHXNOSBRDUHQE-UHFFFAOYSA-N 344.484 2.634 0 50 EFAA Cc1cc(NC(=O)NCCCn2nc(C)nc2C)n(C2CCCC2)n1 299797881 TVJITRQMSKQXBO-UHFFFAOYSA-N 345.451 2.727 0 50 EFAA COc1cc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)ncn1 1565512025 JNJMRMDAXKCKTN-MSOLQXFVSA-N 335.407 2.993 0 50 EFAA C[C@@H](NC(=O)CNc1cccc2c1OCC[C@H]2O)c1cccs1 390832874 JIAJWHGTHUUKIC-BXUZGUMPSA-N 332.425 2.853 0 50 EFAA CC(C)[C@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 170046783 OTXDTAZXINVQHK-KBPBESRZSA-N 330.350 2.589 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)c2ccccc21 278486638 GCQFUXJRHXTBKT-INIZCTEOSA-N 338.407 2.951 0 50 EFAA O=C1OCC[C@@]12CCCN2Cc1coc(-c2c(F)cccc2F)n1 186706870 JXHJFHIFJCXMBR-KRWDZBQOSA-N 334.322 2.901 0 50 EFAA CN(C(=O)c1cc(Cl)ccc1OC(F)F)C1(C(N)=O)CCCC1 170604769 QJJGCPDDERDUSB-UHFFFAOYSA-N 346.761 2.812 0 50 EFAA CN(Cc1ccc(Cl)nc1)C(=O)c1cc2c([nH]c1=O)CCCC2 109426631 PYJLSZLNLYSIOS-UHFFFAOYSA-N 331.803 2.574 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc3c1CCOC3)CC2 639497990 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TWCKGZFYJGOPPF-SSDOTTSWSA-N 326.447 2.763 0 50 EFAA Cc1cccc(COn2c(=O)c(-c3ccco3)[n+]([O-])c3ccccc32)c1 16527204 JWQQJAGCTPCCPO-UHFFFAOYSA-N 348.358 2.832 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 19559863 WKUUYRMZIWZJDB-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA OCCN1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1 19842584 BIMYXEOPJWEXBJ-UHFFFAOYSA-N 326.465 2.639 0 50 EFAA CCn1c2ccccc2c2cc(CNCCNC[C@H](C)O)ccc21 19872280 OCJURGOCJPGPAO-HNNXBMFYSA-N 325.456 2.874 0 50 EFAA CCn1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)cn1 1857677413 ASAUIHLGAHYCTO-UHFFFAOYSA-N 349.438 2.545 0 50 EFAA CCn1nc(C)c(-n2ccnc2-c2cnc(NC(C)C)nc2)c1C 1857703927 WSAUJIZYNRUOHM-UHFFFAOYSA-N 325.420 2.983 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2ccc(C)nc2N2CCCC2)CCO1 225504360 YESWXSRKZZANAT-IBGZPJMESA-N 346.475 2.701 0 50 EFAA CC(C)c1noc([C@H](N[C@H](C)CCn2cccn2)C2CCOCC2)n1 328617229 CMZUXDXDSDWGEV-GDBMZVCRSA-N 347.463 2.926 0 50 EFAA CCn1c(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc2ccccc21 124797278 AXOQLYDRFBXHIL-OAHLLOKOSA-N 337.427 2.805 0 50 EFAA O=C(c1sccc1Cl)N1CCn2c(nnc2C(F)(F)F)C1 331884479 NCFWYZPAFMKRQR-UHFFFAOYSA-N 336.726 2.668 0 50 EFAA OCC(F)(F)CNCc1cn(C2CCCC2)nc1-c1ccccn1 459483050 RDOVVWDPUVEAKS-UHFFFAOYSA-N 336.386 2.777 0 50 EFAA CC(C)(C)c1nnc2n1CCN(Cc1cn3cc(Cl)ccc3n1)C2 662246735 CBEAARBTKHFCTM-UHFFFAOYSA-N 344.850 2.893 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)c1ccc(NCC2CC2)nc1 346886119 ZOWRTMKLKFEJRC-UHFFFAOYSA-N 334.423 3.357 0 50 EFAA C[C@H]1C[C@H](CNC(=O)NCc2nnc(C(C)(C)C)s2)C[C@@H](C)O1 252499273 RYBYREIWRNLWAA-ZSBIGDGJSA-N 340.493 2.838 0 50 EFAA CCCn1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cn1 152692067 PHSNXUWEPOSNAI-MRXNPFEDSA-N 332.835 2.842 0 50 EFAA Cc1nc([C@@H]2COCCN2C(=O)c2c(C)oc3ccccc23)no1 372002680 IYKUVBNVCFHXJU-ZDUSSCGKSA-N 327.340 2.646 0 50 EFAA Cc1nn(C)c2cc(NC(=O)[C@@H]3C[C@@]3(C(=O)O)c3ccccc3)ccc12 905115907 RDSSWUOSVOKDCT-OXJNMPFZSA-N 349.390 2.863 0 50 EFAA CN(C[C@@H]1OCCc2sccc21)C(=O)c1cc(C(F)F)ncn1 829332441 JDLLCFJMONFGHC-LBPRGKRZSA-N 339.367 2.862 0 50 EFAA CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 928996466 UBIGXOFVHNPKLP-UONOGXRCSA-N 341.496 2.526 0 50 EFAA CC1(NC(=O)Nc2ccnn2[C@@H]2CCCOC2)Cc2ccccc2C1 934682863 MKCIXEQMVJAUOF-MRXNPFEDSA-N 340.427 2.914 0 50 EFAA Cc1cc(N2CCC[C@H](c3nc(C)no3)C2)nc(N(C)C(C)C)n1 1875273395 UQCSWRPVFCWPHC-AWEZNQCLSA-N 330.436 2.705 0 50 EFAA O=C(N[C@@]12CCCN(CC1)C2)c1cnc2c(cnn2C2CCCC2)c1 1875284989 YETNOXCBKKQDMV-IBGZPJMESA-N 339.443 2.515 0 50 EFAA Cc1cnc2nc(NC(=O)c3ccc(=O)n(C4CC4)c3)sc2c1 1875323130 YHIFNGYCFZRCGV-UHFFFAOYSA-N 326.381 2.749 0 50 EFAA COC(=O)c1ccc(OC)c(CS[C@H](C)[C@H](C)C(=O)OC)c1 1875341390 QYGZBTVJZZDORX-WDEREUQCSA-N 326.414 2.913 0 50 EFAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc2c(c1)NC(=O)C2(C)C 886600152 OBPIJUQXZGGGOX-OAHLLOKOSA-N 343.471 2.719 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)/C=C(\C)c2cccc(F)c2)C1 888077832 XTPIHDGBONWRGZ-SKYCBFMCSA-N 329.375 2.941 0 50 EFAA Cn1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c2ccccc21 889493369 DTSAGGMZVZVIOA-QGZVFWFLSA-N 348.406 2.817 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(O)cc(Cl)c2)CC1 892056029 YUVBGLNTNBKPNF-INIZCTEOSA-N 335.835 2.725 0 50 EFAA Cn1ncc2c(N3CCC[C@]4(C=Cc5ccccc5O4)C3)ncnc21 896885854 MACDVPQOCZTAPS-IBGZPJMESA-N 333.395 2.808 0 50 EFAA CC(C)[C@H](Sc1ccccc1)C(=O)NC1CC(n2cnnc2)C1 2325774519 SZVSOGPCCHSBKL-XUJLQICISA-N 330.457 2.915 0 50 EFAA CC(C)(O)CN1CC[C@H](Nc2ccc(-c3c(F)cccc3F)nn2)C1 894863989 YRMPXHLTXKFDPI-LBPRGKRZSA-N 348.397 2.679 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 110581097 UILZAEGPSGMPFM-OASPWFOLSA-N 341.238 2.821 0 50 EFAA CC1(C)Cc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)CO1 48915 GMQFMUYCZWQDSX-UHFFFAOYSA-N 328.393 2.592 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2c(C(F)(F)F)cccc21)c1ccco1 614271 HCBQUIZQSAQLLL-AWEZNQCLSA-N 325.242 2.711 0 50 EFAA Cc1cccc2nc(NC(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)[nH]c12 2356148090 GVVXSDFXNNHHOM-CYBMUJFWSA-N 340.427 2.991 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 3876495 UFBFBGPLHYVMPT-UHFFFAOYSA-N 337.397 2.903 0 50 EFAA Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cs1 4749752 JQVWBFAQBKTJKL-UHFFFAOYSA-N 330.409 2.781 0 50 EFAA C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@H]2CCCCN2C)c1 4757937 MJTQAIYOGJBJJG-RDTXWAMCSA-N 343.471 2.950 0 50 EFAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6706810 YWXZBLBFABJQIB-UHFFFAOYSA-N 345.424 2.856 0 50 EFAA CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 10473550 OHPOSNNJFFHRSS-LBPRGKRZSA-N 348.424 2.764 0 50 EFAA CCCCC(=O)Nc1cc(NC(=O)[C@@H](C)n2cncn2)ccc1OC 55401539 WEQUVERBXHZGDN-GFCCVEGCSA-N 345.403 2.615 0 50 EFAA CCCOc1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 9236941 PUPIQDUKJDSARA-HNNXBMFYSA-N 330.428 2.841 0 50 EFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[C@H](c1ccco1)N1CCCC1 247035076 RGSJGYKRYNIYGH-SRABZTEZSA-N 347.459 2.529 0 50 EFAA CCN1CCN(C(=O)c2ccc(CN3CCC(C)CC3)cc2)CC1 20110261 MUFMXFJDYNZBJN-UHFFFAOYSA-N 329.488 2.696 0 50 EFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 347433696 HZJQEXNAQSEWIX-CYBMUJFWSA-N 343.431 2.837 0 50 EFAA 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C[C@H](c1nccs1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)o1 55041966 AZJDOTVJKLJTJF-SECBINFHSA-N 349.441 2.980 0 50 EFAA Cc1ccc(C)c(OCCN(C)C(=O)COc2ccccc2O)c1 55212124 AYPMCQUDRRPSQX-UHFFFAOYSA-N 329.396 2.925 0 50 EFAA CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 9236260 LLXDCMVRKKCMBA-INIZCTEOSA-N 338.407 2.755 0 50 EFAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccccc1 20522636 XVNWVTPZYFCFJV-KPKJPENVSA-N 349.478 2.634 0 50 EFAA CCC1=NO[C@@H](CNC(=O)c2cc(CN(CC)CC)c(CC)o2)C1 55371020 QSEGGMMMRUCWNQ-OAHLLOKOSA-N 335.448 2.969 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)N(C)C1CCCCC1 248072008 SJNBGIBBXIOUJM-ATZDWAIDSA-N 349.519 2.641 0 50 EFAA COc1cccc(OC)c1CNC(=O)[C@H](C)n1cnc2ccccc21 65369789 INVOBOOAYWHPPO-ZDUSSCGKSA-N 339.395 2.931 0 50 EFAA Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cnn1-c1ccccc1Cl 136141642 JZWANEBGDGVASV-LBPRGKRZSA-N 347.802 2.771 0 50 EFAA CC(C)N1CCN(Cc2ccc3cccc(F)c3n2)C[C@@H]1CCO 20777733 JRUHYGZWPFSMJR-KRWDZBQOSA-N 331.435 2.651 0 50 EFAA Cc1cc(C)nc(CN2CCC=C(CNC(=O)c3cccs3)C2)n1 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QORRCYRLEIJEQK-UHFFFAOYSA-N 342.790 2.728 0 50 EFAA COCCN1C[C@]2(CCCN(Cc3ccccc3OC)C2)CCC1=O 77298606 BRNAKSKZGSKJLO-HXUWFJFHSA-N 346.471 2.546 0 50 EFAA Cc1nc2c(c(N[C@@H](C)c3ccccc3-n3cccn3)n1)CCNCC2 72422858 ZTVOTLKZITUKID-AWEZNQCLSA-N 348.454 2.832 0 50 EFAA O=C1NCCN1CCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 219332552 XJKKAXLTKGFERC-UHFFFAOYSA-N 349.862 2.683 0 50 EFAA CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)[C@@H]1CCCCO1 154946646 ZGALQRBQKXUNJN-LBPRGKRZSA-N 346.349 2.943 0 50 EFAA Cc1nc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(C)o1 72463267 PAPHBTXEGNVFOV-UHFFFAOYSA-N 342.424 2.864 0 50 EFAA CN1C[C@@H](N[C@H]2CCCOc3cc4c(cc32)CCCC4)CCC1=O 126716888 QVDSIABCQAGWGE-WMZOPIPTSA-N 328.456 2.990 0 50 EFAA CNC(=O)c1ccc(CNC(=O)N2Cc3ccccc3C[C@H]2C)cc1 332520056 YVCIYQAATKJXED-CQSZACIVSA-N 337.423 2.703 0 50 EFAA CC1(C)C[C@H](c2nccn2-c2ccc(Oc3nnn[nH]3)cc2)CCO1 72149677 LCASGQFWUBWAEO-GFCCVEGCSA-N 340.387 2.850 0 50 EFAA CC1=C(C)CN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 332697126 VIBGLJCTWZHUML-OAHLLOKOSA-N 349.381 2.822 0 50 EFAA O=C(Cc1ccc2c(c1)CCCC2)NC1(C(=O)O)CCSCC1 262098369 GMEDYQICSSLYJU-UHFFFAOYSA-N 333.453 2.575 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cc2n(n1)CCNC2 72411446 DTSJWMSOFDTATM-IBGZPJMESA-N 349.438 2.784 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2cn3ccccc3n2)CCCN1CC1CC1 71753319 RUILJHUMRABNTB-GOSISDBHSA-N 340.471 2.917 0 50 EFAA O=C(c1cc2ccccc2nc1O)N1CCC[C@H]2CNCCC[C@H]21 373552264 PORPKRFTRURLEC-WMLDXEAASA-N 325.412 2.545 0 50 EFAA COc1ccc(-c2noc(-c3cnn(C4CCOCC4)c3C)n2)cn1 158319261 MVGRDQYUXLAGNZ-UHFFFAOYSA-N 341.371 2.664 0 50 EFAA CC(C)[C@@H]1CN(CC2(C)CCN(C)CC2)CCC(=O)N1CC1CC1 71746547 RZDPOXTVWXAFTC-SFHVURJKSA-N 335.536 2.687 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3F)C2)cn1 241435143 NLAQEBZKIHHXOC-JQFCIGGWSA-N 327.403 2.754 0 50 EFAA COc1cc(CN[C@H](c2nccn2C)C2CCOCC2)ccc1C 284660877 GYQQHWFAHSVVKQ-SFHVURJKSA-N 329.444 2.995 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)N[C@@H](C)c3ccncc3F)C2)n1 242389400 ZWYHJNFHERKSNT-JQWIXIFHSA-N 333.367 2.562 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cnn2ccccc12 77407426 OWGFOQQBHWSFPH-UHFFFAOYSA-N 349.369 2.931 0 50 EFAA CCn1cc(CCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cn1 285231774 YDJXPAAQZLRZMF-AWEZNQCLSA-N 341.381 2.998 0 50 EFAA CN1CCC(OCCCNC(=O)Cc2c(F)cccc2Cl)CC1 223416779 JXBKKFUPKWSIIU-UHFFFAOYSA-N 342.842 2.639 0 50 EFAA Cc1nc2ccc(C(=O)N[C@H]3COc4ccccc4C3)cc2nc1C 45848866 IDKTYNGXJXVIGS-MRXNPFEDSA-N 333.391 2.980 0 50 EFAA CC(C)Cc1cn(C2CCN(C3CCN(C(C)C)CC3)CC2)nn1 48428156 JXAQSXCLOWHBBK-UHFFFAOYSA-N 333.524 2.986 0 50 EFAA O=C(Nc1cccc(CN2CCOCC2)c1)c1c(O)cccc1F 133146213 IOAXUXIFNYSNDP-UHFFFAOYSA-N 330.359 2.616 0 50 EFAA Cc1nc(CN2CCN(C(=O)c3c(C)n[nH]c3C(C)C)CC2)cs1 179112471 NCZJDNAXDDRFDS-UHFFFAOYSA-N 347.488 2.564 0 50 EFAA COc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 229922555 WWHFQRGCCRXFNB-QGTPRVQTSA-N 342.439 2.982 0 50 EFAA Cn1ccc2c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CCC3)cccc21 220716756 UHDFPTOGPYYCEN-MJGOQNOKSA-N 342.439 2.882 0 50 EFAA CCc1cccc2c1OCC[C@H]2NC(=O)[C@H]1CCn2c(cnc2C)C1 289930714 WJXLEFWIBJGQMX-MAUKXSAKSA-N 339.439 2.956 0 50 EFAA CCCN1CCC[C@@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 426550062 PMIQUMBIKDTWJJ-KRWDZBQOSA-N 345.487 2.890 0 50 EFAA CN1CCN(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)CC1 426534468 ODQOZBODBSEXQE-UHFFFAOYSA-N 332.350 2.725 0 50 EFAA CCCCc1nc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 179849463 FXOOFJACWQMPSG-NSHDSACASA-N 330.388 2.594 0 50 EFAA CC1(C)C[C@@]1(C(=O)N1CCC2(CC1)COC(=O)O2)c1ccccc1 426613630 MUBUZQASMSLCIS-IBGZPJMESA-N 329.396 2.882 0 50 EFAA Cc1ccc2nc(C(=O)N3CCC(Nc4ccccn4)CC3)cn2c1 91933930 HAUKSFNWYPSKSH-UHFFFAOYSA-N 335.411 2.754 0 50 EFAA O=C1[C@H]2CC[C@H](CN(c3cccc(C(F)(F)F)n3)C2)N1CC1CC1 95363889 ZEMDENMRHJVIDC-QWHCGFSZSA-N 339.361 2.938 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)CCc1scnc1C)CO2 91656297 YTCBOCAOOKHTGY-CQSZACIVSA-N 346.452 2.712 0 50 EFAA CNC(=O)C[C@@H](C)N(C)C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 92022616 IUSOIBDGMZPACE-CYBMUJFWSA-N 329.444 2.619 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cn1 95367940 KJZRQRBBLGAPBC-CQSZACIVSA-N 327.432 2.836 0 50 EFAA CCOc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)on1 294439097 LKPSGSHGLGYORH-AWEZNQCLSA-N 336.775 2.940 0 50 EFAA O=C1N(CC2CC2)CCC[C@]12CCN(C1CSCCSC1)C2 91644821 MDBAMIGFSXJVDC-QGZVFWFLSA-N 340.558 2.560 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 95525077 QFAUWJCFVIJSAV-ZDUSSCGKSA-N 325.420 2.734 0 50 EFAA Cc1cc(C)n(CCCC(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)n1 244735053 NSGOOIRSOXFHGM-RVKKMQEKSA-N 347.484 2.970 0 50 EFAA Cc1ccccc1CCC(=O)N1CCC2(CCNC(=O)CC2)CC1 243892773 ALAOVQITPFNCNZ-UHFFFAOYSA-N 328.456 2.837 0 50 EFAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@]12CC[C@]1(CCOC1)O2 242687648 UMRJYIFXXDLEKW-DUBPVYKHSA-N 338.488 2.900 0 50 EFAA Cn1nnc2ccc(C(=O)N3CCC(OC4CCCC4)CC3)cc21 183518776 XSVSODCVKYPKHT-UHFFFAOYSA-N 328.416 2.532 0 50 EFAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 299749681 LHLTVPVIVFSUFU-HUUCEWRRSA-N 335.425 2.512 0 50 EFAA Cn1cnnc1C1CCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 184457203 FOTWTHUEPNVQFP-UHFFFAOYSA-N 349.385 2.842 0 50 EFAA Cc1ccc(NC(=O)CN2CCC([C@@H](O)c3ccccn3)CC2)cc1 252482680 DLYFKUQPOOYUIR-HXUWFJFHSA-N 339.439 2.774 0 50 EFAA COCCN(Cc1ccccn1)C(=O)NCc1cc(C(C)C)on1 584903579 AWRLOHSTGMFYOR-UHFFFAOYSA-N 332.404 2.551 0 50 EFAA CCOc1cccnc1N1CCN(c2ncnc3sccc23)CC1 1354267265 ZAHSFLPFCYRDNQ-UHFFFAOYSA-N 341.440 2.812 0 50 EFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(CN2CCCC2)c1 277399773 JUNFRAJVWPUQBW-OALUTQOASA-N 330.472 2.960 0 50 EFAA CCC1(CC)CN(C(=O)c2ccc3ccccc3n2)CC[S@]1=O 186720549 GPQUBZDOCQCDIX-HSZRJFAPSA-N 330.453 2.998 0 50 EFAA Cn1c(C(=O)OC[C@H]2CCCN2C(N)=O)ccc1-c1ccc(F)cc1 170645772 HSQUOWQYYUTPNT-CQSZACIVSA-N 345.374 2.531 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CCO1 188206832 GKFRNJLPSIRFAG-KBXCAEBGSA-N 343.431 2.539 0 50 EFAA Cc1cc2occ(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)c2cc1C 640867710 UGTUHFWRCDFWOU-QGTPRVQTSA-N 342.439 2.767 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc(C)c1O 190940042 VRIVHWKWPFDDHX-MSOLQXFVSA-N 345.487 2.677 0 50 EFAA CC(C)Oc1cccc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)n1 190917275 MTSCRMHOCXKBSE-UHFFFAOYSA-N 328.368 2.839 0 50 EFAA C[C@H]1CCN(C(=O)NCc2cccnc2OCC(F)F)CCS1 192266223 MYSXTKSHBXMECF-NSHDSACASA-N 345.415 2.763 0 50 EFAA COC(=O)c1c[nH]c(SCc2ccc(Br)cn2)n1 193540045 XRWKRNXYBCVBJX-UHFFFAOYSA-N 328.191 2.646 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 649421612 PHHJOOUQHLURLF-VXGBXAGGSA-N 339.273 2.550 0 50 EFAA Cc1occc1[S@@](=O)CC(=O)NCCOc1ccc(Cl)cc1 194639350 AYZBKMUCBXNJPZ-QFIPXVFZSA-N 341.816 2.544 0 50 EFAA COc1ccc(NC(C)(C)C(=O)N2CCC[C@H]2c2nc(C)no2)cc1 1506429616 YDKOIVYHRVBUNV-HNNXBMFYSA-N 344.415 2.941 0 50 EFAA CC(C)CC1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCC1 1529171814 DACMIDRPUVOSJM-MSOLQXFVSA-N 344.455 2.575 0 50 EFAA CCOCCc1nnc(NC(=O)c2cccc3cccnc23)s1 1529126051 RXVJNRXYMOTDLF-UHFFFAOYSA-N 328.397 2.918 0 50 EFAA CCN(CCOc1ccc(C)c(C)c1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704325659 OQRIUJKPBBDKNI-NZSAHSFTSA-N 349.471 2.707 0 50 EFAA 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C[C@@]1(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)CC=CCC1 952883361 WCKBBPCNFFMCKG-XHDPSFHLSA-N 342.365 2.765 0 50 EFAA CCn1cc(Cl)cc1C(=O)N(C)S(=O)(=O)Cc1ccccc1 1875284291 PKCPFUXTKKHJKQ-UHFFFAOYSA-N 340.832 2.763 0 50 EFAA C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)c1cc[nH]n1 1875259778 BHYAKZYMDAAJGN-LBPRGKRZSA-N 327.388 2.809 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)N1CCS[C@@H]2CCC[C@H]21 1875278225 JZZUJXLKSVWJHD-HUUCEWRRSA-N 332.473 2.835 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2ncc(C[C@@H]3CCOC3)s2)c1 1875277579 RTGLNDXWKCNQNI-LBPRGKRZSA-N 346.408 2.602 0 50 EFAA Cc1cccc2nc(CCC(=O)N3Cc4ccccc4[C@@H](N)C3)[nH]c12 1875292266 BWEGYHGWTBVPQU-INIZCTEOSA-N 334.423 2.846 0 50 EFAA COc1nscc1S(=O)(=O)N(C)[C@@H](C)c1c(F)cccc1F 1875289716 KKHIDLCWMFNART-QMMMGPOBSA-N 348.396 2.812 0 50 EFAA COc1ccc2sc(NC(=O)[C@H]3CCc4c[nH]nc4C3)nc2c1 1875274481 BSFJTEONDSDZLA-VIFPVBQESA-N 328.397 2.772 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cc4cccnn4n3)cc2)n1 1875322811 JFPAOILSQJJBKT-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2cc(-c3ncccn3)ncn2)C1 1875305316 QJMGSETYNWJAGV-SRABZTEZSA-N 339.443 2.700 0 50 EFAA CC(=O)N1CCC(c2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)CC1 1875385064 LWLQVSIAGFRSGY-SIKLNZKXSA-N 328.456 2.886 0 50 EFAA O=C(O)C1([C@@H]2CCN(S(=O)(=O)c3ccco3)c3ccccc32)CC1 882790801 KKMWQNUONHUDFY-CYBMUJFWSA-N 347.392 2.827 0 50 EFAA COC1(CNC(=O)c2nn(C)cc2Cl)CCC(C(F)F)CC1 888100413 KURGJZCHGZLVFV-UHFFFAOYSA-N 335.782 2.644 0 50 EFAA Oc1ccccc1N1CCN(c2ccc(Br)cn2)CC1 265783513 GLMOYSQBHIPXMN-UHFFFAOYSA-N 334.217 2.876 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1F 4744729 VGHBLQQACFNGAD-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA CN(Cc1nc2c(n1C)CCCC2)C(=O)c1ccc(-c2ncc[nH]2)cc1 2325811269 KHRMFYSGQSHKEY-UHFFFAOYSA-N 349.438 2.961 0 50 EFAA O=C(N[C@H](CCO)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325841916 JVPCACXVBJEVKL-CQSZACIVSA-N 347.390 2.536 0 50 EFAA O=C(NCc1ccccc1-c1ccc(Cl)cc1)N[C@H]1CCNC1=O 1426837227 XHQKTUSQZCOBTO-INIZCTEOSA-N 343.814 2.695 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C[C@H]2CCc3ccccc3C2)C1 952852729 KBZUZCHVLURMCW-BMGDILEWSA-N 327.428 2.945 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)Nc1c(F)cccc1F 90144 JNXBWOFEIMJSBM-UHFFFAOYSA-N 347.350 2.671 0 50 EFAA O=C(O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1 135793 JYGGUCSLFNVFOF-UHFFFAOYSA-N 326.381 2.712 0 50 EFAA CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl 2559828 VRPNAVYQHJYROG-UHFFFAOYSA-N 339.697 2.964 0 50 EFAA CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N 6868079 BVXOYILBBDRIOJ-UHFFFAOYSA-N 348.366 2.965 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708196 FORLFDSEMQLONH-UHFFFAOYSA-N 330.409 2.923 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)c1 412196015 QJVWQTMNBYIWCG-QGZVFWFLSA-N 340.471 2.879 0 50 EFAA CCn1cccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1=O 412499109 RKQXRMUYAVJEOM-GFCCVEGCSA-N 332.787 2.711 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](C)Oc2cccnc2)c1 55308894 ONJGIEPJVYSGQT-NSHDSACASA-N 347.802 2.891 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N(CCO)Cc2ccccc2)c1 55183409 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MFUMJGRLKRSEOQ-UHFFFAOYSA-N 329.469 2.963 0 50 EFAA FC(F)(F)c1nccc(N2CCN(c3ccc(Cl)cn3)CC2)n1 91807699 NXDWIYFDONUZGU-UHFFFAOYSA-N 343.740 2.870 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)CC(C)C)C3)c1 96180364 UJTINDKKMWDUPQ-UHFFFAOYSA-N 341.411 2.585 0 50 EFAA O=C(CCNC(=O)[C@H]1CC[C@@H](O)CC1)Nc1cccc2ccccc12 244893105 YVUTYGNNRKJUFL-IYBDPMFKSA-N 340.423 2.836 0 50 EFAA O=S(=O)(C1CC1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 181491957 VEQPQMUUIQUSJQ-ZDUSSCGKSA-N 335.347 2.571 0 50 EFAA CCN(CCCOc1ccc(C(N)=O)cc1)[C@H]1CCOC(C)(C)C1 244900017 ZUNJRZFLEAQIHI-INIZCTEOSA-N 334.460 2.834 0 50 EFAA CCN1CCc2ncnc(N3C[C@H]4CCN(c5ccccc5)[C@H]4C3)c2C1 240934391 JBTCFROBWLHTFP-UZLBHIALSA-N 349.482 2.570 0 50 EFAA COc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)cc(Cl)c1OC(C)C 299743141 MBDPGISNVLBAEA-SNVBAGLBSA-N 341.791 2.683 0 50 EFAA COc1ccc(C(=O)O)cc1CN1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 299766231 DLKFWBCNZQKWFS-HHXXYDBFSA-N 349.427 2.552 0 50 EFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C)c(OCCCN)c1 299795857 MFAULGAEOJIKSF-FVQHAEBGSA-N 332.444 2.505 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)c2cc(-c3ccncc3)[nH]n2)c1 828066229 VXPDQDARNVWIDF-UHFFFAOYSA-N 349.394 2.539 0 50 EFAA COCCN1CCC(c2n[nH]c(Cc3cccc(Cl)c3)n2)CC1 824413148 KQEVMZXLRUASKZ-UHFFFAOYSA-N 334.851 2.875 0 50 EFAA c1ccc(N2CC[C@H](NC3CCN(Cc4ccncc4)CC3)C2)cc1 584887978 ZPWAQNKACBIANA-FQEVSTJZSA-N 336.483 2.915 0 50 EFAA C[C@H]1Cc2cc(NC(=O)CC3=CSC4=NCCCN34)ccc2O1 952868713 DFBNWZNNPZOIEB-NSHDSACASA-N 329.425 2.989 0 50 EFAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)c2cccc3cc[nH]c23)C1=O 952873389 WHOPRUJBRCLFNZ-NSHDSACASA-N 348.362 2.865 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@](O)(C3CCC3)[C@@H](C)C2)cc1 1565511927 HWBFEPLUJXMEBD-IFXJQAMLSA-N 332.444 2.778 0 50 EFAA Cc1nc(CO[C@H]2CCN(CC(=O)Nc3cccc(F)c3)C2)cs1 170599809 KMKGKQWVFRAQOH-INIZCTEOSA-N 349.431 2.820 0 50 EFAA C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)O)c1 302884693 INQAIANGBJESRI-LBPRGKRZSA-N 348.424 2.702 0 50 EFAA O=S(=O)(c1ccccc1)N(CC[C@@H]1CCCO1)c1nccs1 170604823 BPDVMHHTBKQXBB-ZDUSSCGKSA-N 338.454 2.908 0 50 EFAA O=S(=O)(N[C@H](c1ccccc1)C1CCC1)c1cnc2[nH]cncc1-2 1474943753 GOCMSEDPTQUIEJ-MRXNPFEDSA-N 342.424 2.729 0 50 EFAA O=C(N=c1cc2n([nH]1)CCCC2)c1ccc(OCc2ccccc2)cn1 633053659 LUQSNLGGWKPCBY-UHFFFAOYSA-N 348.406 2.868 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCC2)nc1 275407967 CXNTWLJVYWMZSI-WMZOPIPTSA-N 341.459 2.518 0 50 EFAA Cc1cc(C)nc(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1 276091171 VXFXPKQLTJHCQC-CYBMUJFWSA-N 345.403 2.810 0 50 EFAA CC(C)[C@@H](C(=O)NCc1nnc2ccc(Cl)cn12)c1cccnc1 636257576 LNBBSZKPSBMEHD-MRXNPFEDSA-N 343.818 2.834 0 50 EFAA C[C@H](NC(=O)c1ccc(C(=O)O)cn1)c1ncc(-c2ccccc2)o1 190653358 QFEQJCCVGBCLNS-NSHDSACASA-N 337.335 2.926 0 50 EFAA O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccncn1 190697565 LUFTXMBAXXUJDI-UHFFFAOYSA-N 326.404 2.574 0 50 EFAA CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2)C1 191372421 KWYCWFQNNBWXQF-CHWSQXEVSA-N 327.222 2.816 0 50 EFAA O=C(c1cc2nc[nH]c2cc1F)N1CC2(CCOCC2)[C@@H]1C1CC1 644896654 VYRSMYGAIURJSQ-INIZCTEOSA-N 329.375 2.733 0 50 EFAA COc1ccccc1CC(=O)N1CCC(NC[C@@H]2CCC=CO2)CC1 194355807 ZYXJMMNBTDKNPN-SFHVURJKSA-N 344.455 2.511 0 50 EFAA O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCN2CCCC[C@@H]2C1 195048217 UFJKUNVQKRBGEP-MRXNPFEDSA-N 344.846 2.836 0 50 EFAA O[C@H](c1ccccc1)c1nncn1Cc1nnc(-c2ccccc2)s1 195168670 BHYZTFXFRHVLEO-MRXNPFEDSA-N 349.419 2.927 0 50 EFAA O=C(C[C@H]1CCCO1)NCc1ccc(NC(=O)c2cccnc2)cc1 195291345 RDDSLCLWVVADHC-QGZVFWFLSA-N 339.395 2.519 0 50 EFAA O=C1[C@H]2CCCCN2C(=O)N1[C@@H](Cc1ccccc1)c1ncco1 653525111 BCEUFWOWZMHZJV-CABCVRRESA-N 325.368 2.775 0 50 EFAA CCN(CC)[C@@H](CNC(=O)c1ccnn1C(F)F)c1ccco1 667356217 QBCHJTAXCVAFRE-LBPRGKRZSA-N 326.347 2.684 0 50 EFAA Cc1cc(C)cc(OCCNC[C@@H]2CCO[C@H]2c2nccn2C)c1 667796085 ATJSILFUGMLBDN-FUHWJXTLSA-N 329.444 2.783 0 50 EFAA CCC[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@@H]1NC(C)=O 212096756 VDCDKKRHYYDJTD-ZFWWWQNUSA-N 340.370 2.665 0 50 EFAA CC[C@]1(O)CCN(c2nccc(-c3cccc(Cl)c3)n2)C[C@@H]1O 219296620 AMWCKTNHOWOVJY-RDJZCZTQSA-N 333.819 2.509 0 50 EFAA CC(C)=CCN1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 11813785 SLHROERGVLFCRY-UHFFFAOYSA-N 331.464 2.554 0 50 EFAA CC(C)(C)c1ccc(CC[C@H]2OC[C@H](CN3CCOCC3)O2)cc1 19799101 PMSZKNSSEIHHKV-OALUTQOASA-N 333.472 2.990 0 50 EFAA Nc1c(-c2nnc(S)n2C[C@@H]2CCCO2)sc2ncccc12 19894304 RJYCSPLKFIUIET-QMMMGPOBSA-N 333.442 2.605 0 50 EFAA Clc1ccc2nc(-c3nccn3C[C@@H]3CNCCO3)ccc2c1 1857683643 YLOQRHMAIYZGSF-AWEZNQCLSA-N 328.803 2.740 0 50 EFAA CCn1nc(CC(N)=O)nc1CCCCc1nc2ccccc2s1 1857731662 VYGPMZSEIMJLOK-UHFFFAOYSA-N 343.456 2.501 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 130073081 CRLRFYKPKKQVQK-OAHLLOKOSA-N 340.383 2.565 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 16678711 YXZOAKWTRYIIPT-SNVBAGLBSA-N 344.209 2.627 0 50 EFAA in-vitro COc1cccc2c(N3CCC[C@H](CNC(C)=O)C3)c(C)cnc12 252535962 HHVGNTDNYAGSTG-OAHLLOKOSA-N 327.428 2.904 0 50 EFAA CN(Cc1nccc(N)n1)[C@H]1CCOc2ccc(Br)cc21 253418896 DCDLXMFAPWODFK-LBPRGKRZSA-N 349.232 2.777 0 50 EFAA C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)c1nnnn1C1CC1 791922657 UHJLJMRIDYXTQN-QMMMGPOBSA-N 341.749 2.631 0 50 EFAA CCOCc1ccccc1CNC(=O)[C@]1(O)CCc2ccccc2C1 375053066 UXHVQHQOEVMXGZ-NRFANRHFSA-N 339.435 2.759 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2CCCC[C@H]2C(=O)O)cc1OC 262212444 IXOKIKXYQYQLFA-LBPRGKRZSA-N 341.791 2.827 0 50 EFAA CNC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 266982761 ZPZYGVCQZSOQLG-PXAZEXFGSA-N 341.386 2.804 0 50 EFAA C[C@H]1CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc21 916151195 BSIBZNFXWLWXKP-UONOGXRCSA-N 337.423 2.732 0 50 EFAA Cc1cc(NC(=O)NCCN2Cc3ccccc3OCC2=O)cs1 932179312 AJOAWXKIYVAERR-UHFFFAOYSA-N 345.424 2.599 0 50 EFAA C[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1CNC(=O)OC(C)(C)C 866034701 NMXMBQGGSWZCFW-VXGBXAGGSA-N 331.420 2.555 0 50 EFAA Cc1ccn(-c2ccccc2C(=O)N2CCC[C@@H]([C@H]3CCNC3)C2)n1 1875287398 IPKQROFPBUPNOS-DLBZAZTESA-N 338.455 2.642 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCCO)C3CCCCCC3)n[nH]c21 1875299964 DOOZWKUJQGMYSW-KGLIPLIRSA-N 349.475 2.979 0 50 EFAA Cc1cc(N2CCC(Oc3cnccn3)CC2)nc(CC2CC2)n1 1875286893 LRFUCJSQJJUFRS-UHFFFAOYSA-N 325.416 2.575 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnn(C(C)(C)C)c1 1875334567 VDBXUJPNMMSQFJ-MRXNPFEDSA-N 333.457 2.912 0 50 EFAA CCOC(=O)c1ccnnc1N1CCc2ccc(OC)cc2[C@H](C)C1 1875327521 YDXDAEMSKHKGNU-CYBMUJFWSA-N 341.411 2.828 0 50 EFAA O=C(N[C@H](CCO)c1ccc(F)cc1F)c1nccc2[nH]ccc12 1875334834 HBSXKYIBSBCBAD-OAHLLOKOSA-N 331.322 2.695 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CC2)nn1 886097038 JLFDYVIQYIRISB-HNNXBMFYSA-N 326.375 2.593 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1Cl 886035875 NJVGOIDHRXCLMP-MLGOLLRUSA-N 349.818 2.856 0 50 EFAA O=S(=O)(CC1CC2(CC2)C1)NCc1nnc(-c2ccccc2)s1 2325775872 PMXTUEGAZVURDC-UHFFFAOYSA-N 349.481 2.815 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCc4nncn43)cc2)c1C 2325780248 STOPUMVBYITFDF-INIZCTEOSA-N 336.399 2.597 0 50 EFAA CN(C[C@@]1(C)CCCO1)c1ccc2nnc(-c3cccc(F)c3)n2n1 2325789951 YSOBOTNORTXPDI-GOSISDBHSA-N 341.390 2.936 0 50 EFAA O=C(O)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12CCC2 2325844814 RJMONMRVOQBIPJ-LBPRGKRZSA-N 340.358 2.941 0 50 EFAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 117012 JCPMYMAMVGZOKQ-UHFFFAOYSA-N 344.386 2.805 0 50 EFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 287925 KXXPQLCNYRLPOD-UHFFFAOYSA-N 330.409 2.787 0 50 EFAA CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 4756044 QUOGRGMWDHAAQO-QCZALSTBSA-N 331.412 2.546 0 50 EFAA biogenic COc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2N)cc1 4985024 HSGPLMGMQCFMEL-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA CN1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1 6702418 FEOCFTYCBHLUAB-UHFFFAOYSA-N 329.444 2.593 0 50 EFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)C)CC1 10010423 MMFJARGBGBBVCW-UHFFFAOYSA-N 337.851 2.993 0 50 EFAA CO[C@@H]1CCC[C@@H](OC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 225417449 AVGVGGVDRFCEAA-DSIITGHMSA-N 337.460 2.914 0 50 EFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cccn2C)CC1 102797538 QSKDTJIYUOCQPC-UHFFFAOYSA-N 325.456 2.804 0 50 EFAA CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 246879956 IIFMLMHFMAWWFQ-HRCADAONSA-N 338.517 2.768 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccccc1-n1cccn1 247350173 OZAPFKBVOJYZMK-GJZGRUSLSA-N 325.416 2.573 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 247312767 RFMMZZQEOOIWPF-CQDKDKBSSA-N 337.261 2.621 0 50 EFAA COc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c(OC)c1 59739849 KEEDXDYYIICPQV-ZDUSSCGKSA-N 348.443 2.927 0 50 EFAA CCOc1ccc(CN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 349186371 WKCXSRGUIADJNE-SFHVURJKSA-N 336.391 2.974 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3C(=O)O)s2)cc1 136526438 HJYBYAZCORIDMI-CYBMUJFWSA-N 346.408 2.898 0 50 EFAA COc1ccccc1-c1nc(C(=O)N2CCCC[C@H]2C(=O)O)cs1 136523050 CSRLGOPVYSBNIZ-ZDUSSCGKSA-N 346.408 2.898 0 50 EFAA CCN(c1cccc(OC)c1)S(=O)(=O)c1cccc(C(=O)O)c1C 357422416 CYIJVSXFTQUBNC-UHFFFAOYSA-N 349.408 2.917 0 50 EFAA CCCn1cc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)n1 20785411 ADJRQDVVFRFIED-CQSZACIVSA-N 329.448 2.964 0 50 EFAA CCSc1cccc(NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)c1 280982766 SITSFSHYEZMAGQ-GOSISDBHSA-N 346.452 2.658 0 50 EFAA Cc1ccc([C@@H]2C[C@H]2C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)s1 252511714 JZKXSRJWDSUHRP-LERXQTSPSA-N 341.498 2.584 0 50 EFAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(c2ccncc2)C1 302352 SSBVHJXQFPZTGL-GOSISDBHSA-N 325.368 2.553 0 50 EFAA CCn1cnnc1CN(C)c1cc(-c2ccccc2)nc2ccnn12 72134714 ZVTKFQBLWASWFL-UHFFFAOYSA-N 333.399 2.644 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1 77471630 QDAWYSXONYLVPY-LLVKDONJSA-N 328.796 2.595 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NCc2ncccc2C(F)(F)F)CCO1 328636680 OEZKXRVBBVPKHD-IAQYHMDHSA-N 340.349 2.844 0 50 EFAA CNc1nc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cs1 215779280 OOVXQXNIKAQBNL-ZDUSSCGKSA-N 327.413 2.553 0 50 EFAA Nc1ncnc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl 253418085 JKSOKASOTXWLDR-QWHCGFSZSA-N 336.798 2.944 0 50 EFAA c1ccc2c(c1)CCO[C@@H]2Cn1ccnc1-c1cc2n(n1)CCCNC2 72423983 YLADDMNBNAOHCM-LJQANCHMSA-N 349.438 2.554 0 50 EFAA Cc1ncc(Br)cc1NC(=O)N1CCCO[C@H](C)C1 332268532 DFXJDNJXBHYPHY-SECBINFHSA-N 328.210 2.795 0 50 EFAA COCCc1ccnc(NC(=O)[C@@H]2CCCN2c2ccccc2)c1 376087952 GWVPKQLZTIHXSG-KRWDZBQOSA-N 325.412 2.878 0 50 EFAA CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC(C2OCCO2)CC1 175008876 JCEWADSVOPCYIF-CABCVRRESA-N 342.505 2.845 0 50 EFAA Cc1ccc2c(CN3CCNC(=O)[C@H]3c3ccccc3)cc(=O)oc2c1 156140141 ZEUFQTVSZWCHQK-HXUWFJFHSA-N 348.402 2.775 0 50 EFAA Cc1ccc(N2CCCN(c3ncnc4ccsc34)CC2)nn1 369032176 FAYCAYBFMOKXEP-UHFFFAOYSA-N 326.429 2.506 0 50 EFAA C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN)o2)CCN1Cc1ccccc1 237561824 QMTAHJVYXWMNOR-DOTOQJQBSA-N 341.455 2.863 0 50 EFAA COC(=O)c1cc(C)nc(N2CCC(OCc3ccccc3)CC2)n1 370576508 STINYGPJAUBQPT-UHFFFAOYSA-N 341.411 2.757 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCNCC1 237723981 BILFVKXCDFYHAE-OLZOCXBDSA-N 328.334 2.511 0 50 EFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(CO)o2)C1 77301099 VHXIWUFBKJWGCA-MRXNPFEDSA-N 341.407 2.826 0 50 EFAA CCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72453644 PTONLQQKTBGOOF-IBGZPJMESA-N 329.444 2.613 0 50 EFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccccc1Cn1cncn1 377583790 NIHAWQOTQHIJGE-ACJLOTCBSA-N 349.394 2.970 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2oc3c(C)cccc3c2C)C1 285880378 RTUPQIQXOLDDIT-OCCSQVGLSA-N 340.383 2.770 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)on1 70807928 HKGMNINKGFPQDW-UHFFFAOYSA-N 334.807 2.809 0 50 EFAA CSCC[C@@H](O)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 215176067 GLACVRMSOWFWEY-QGZVFWFLSA-N 347.484 2.562 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(F)cc2C(F)(F)F)C1 284467732 DIZILJMBPMUJEE-YPMHNXCESA-N 344.312 2.925 0 50 EFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccn1 41095580 ZSGWZFMQFWBEOD-UHFFFAOYSA-N 334.441 2.866 0 50 EFAA C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@@H](c2nccs2)C1 222210872 QRKAMNMZXHNBIS-GDBMZVCRSA-N 349.500 2.912 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)c(C)n1C 223290703 NQTDHWXAEAPJNI-QGZVFWFLSA-N 327.428 2.858 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC1=CCCOC1 287935976 AQJLLPPOHWWBSQ-SNVBAGLBSA-N 345.365 2.629 0 50 EFAA Cc1cc(F)ccc1CC(=O)N1CCC2(CCC(=O)N(C)C2)CC1 221319723 XSFJUKWLGDMOBI-UHFFFAOYSA-N 332.419 2.538 0 50 EFAA CC(C)C[C@@H](NC(=O)CC(C)(C)C1CC1)c1nc(-c2nnc[nH]2)no1 293543511 OOJQJNXUNXNKLM-GFCCVEGCSA-N 346.435 2.884 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 97773263 FQUKTNNDIRSUKK-ZDUSSCGKSA-N 342.418 2.915 0 50 EFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCN(Cc2ccco2)CC1 95527782 YXSXTXDDTAIAJR-QGZVFWFLSA-N 340.423 2.565 0 50 EFAA Cc1ccc(CC(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1 91411013 NJPIDNGSXGQJJB-UHFFFAOYSA-N 340.467 2.931 0 50 EFAA CN(C(=O)c1cccc(-n2cccn2)c1)[C@@H](C(=O)O)c1cccs1 95353167 GJDPDDGOZUEFID-OAHLLOKOSA-N 341.392 2.832 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 238092230 OIUALOLHCPDERM-DOTOQJQBSA-N 325.364 2.740 0 50 EFAA CCSc1nc(CC(=O)N2CCC[C@]3(CCOC3)C2)cs1 91574126 BTENMGOQCOYWTL-HNNXBMFYSA-N 326.487 2.827 0 50 EFAA CC[C@@H](NCc1cc(F)ccc1F)c1cccc(S(N)(=O)=O)c1 181724191 WNVBVOVGOVRTPE-MRXNPFEDSA-N 340.395 2.853 0 50 EFAA COCc1noc([C@@H](C)N2CCC(Oc3ccc(F)cc3)CC2)n1 181888339 FXINFCQPVAAEMD-GFCCVEGCSA-N 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Cc1c(C(=O)N2CCC(CC(C)C)CC2)cnn1-c1ccc(O)nn1 760942881 YTQTVESXJWDJFL-UHFFFAOYSA-N 343.431 2.575 0 50 EFAA CC(=O)Nc1nc(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)n1 310731 ADCHMPPQFIRJRA-OUKQBFOZSA-N 347.378 2.878 0 50 EFAA COc1ccc2cc([C@H](C(=O)O)N(C)CC3(C)COC3)ccc2c1 1529153074 PNSUHNUYGVTNON-QGZVFWFLSA-N 329.396 2.942 0 50 EFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1[nH]nc2ncccc12 1772809680 CKGCSRLTVQVIPS-WMLDXEAASA-N 341.459 2.619 0 50 EFAA O=C(Nc1ccc2ccccc2c1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772702385 RSNATMJHGHKEGC-BEFAXECRSA-N 340.379 2.795 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ccnc(N)c1 11843438 BCTGMIQKVCEVSS-UHFFFAOYSA-N 347.422 2.625 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(F)cc3OC)C2)C1 12719096 RIBTWEOLOHYTGT-LJQANCHMSA-N 336.451 2.769 0 50 EFAA S=C1N[C@@H](c2ccccc2)N2C(=S)N[C@H](c3ccccc3)N12 13152357 LRGBKQAXMKYMHJ-OKILXGFUSA-N 326.450 2.679 0 50 EFAA COC(=O)c1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)cc1 13682959 WTJMFYIPQSRBBT-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA Cn1nccc1C(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 15070382 AZTWRCNADDCXQJ-MRXNPFEDSA-N 333.395 2.685 0 50 EFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)[C@@H]3C)c(C)o2)cc1C 15071168 PNWQNYLOYMHVKH-ZDUSSCGKSA-N 343.427 2.630 0 50 EFAA Cc1cc2ccccc2n1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 206412284 PKLXQSTXIFIWCL-QGZVFWFLSA-N 336.391 2.762 0 50 EFAA Cc1c(CN2CCC3(CC2)CC(=O)NCCO3)oc2ccccc12 1857694662 HIPONIBKHIWCDT-UHFFFAOYSA-N 328.412 2.612 0 50 EFAA Cc1cc(C)n2ncc(-c3nccn3[C@@H]3c4ccccc4C[C@@H]3O)c2n1 1857695034 QREGQIMNTGUMSU-ZWKOTPCHSA-N 345.406 2.716 0 50 EFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)C1 237299337 PDPVTULTAYDXGX-CHWSQXEVSA-N 344.377 2.931 0 50 EFAA N[C@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1 225463010 ILKUUKFESJZTHX-SFHVURJKSA-N 328.387 2.896 0 50 EFAA Cc1ncc(C(F)(F)F)cc1C(=O)N[C@H]1CCNCC(C)(C)C1 634765103 KAJJMSLWNKXLDD-LBPRGKRZSA-N 329.366 2.917 0 50 EFAA C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@@H](C)[S@@]1=O 1875262691 GXDJBQPYRLAZBO-UHDLTTGQSA-N 336.844 2.870 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)c1 252487718 IALRYSYNTWVLHO-YPMHNXCESA-N 331.865 2.712 0 50 EFAA Cc1cnc(CCN2CCOc3ccccc3[C@@H]2C(=O)O)c(C)c1 903930720 FXOLEVLBCSKZFA-GOSISDBHSA-N 326.396 2.761 0 50 EFAA Cc1nc2scc(C)n2c1CN[C@H](CO)Cc1ccc(F)cc1 1205609567 VPKGMXKSZDASFY-HNNXBMFYSA-N 333.432 2.845 0 50 EFAA Cn1cncc1CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 933633571 NWZUCRWFVKFFQK-MRXNPFEDSA-N 346.862 2.510 0 50 EFAA O=C(c1ccn2ncnc2c1)N1CCC2(C=Cc3ccccc32)CC1 1155582796 GZRPKWAMQFDPFO-UHFFFAOYSA-N 330.391 2.930 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCOC[C@H]1N1CCCC1 952850311 XAWFRDKSHFOSHI-KSZLIROESA-N 346.471 2.522 0 50 EFAA CC(C)[C@@H](F)C(=O)N1CC2(CC(NC(=O)CC(C)(C)C3CC3)C2)C1 1875358524 YYXBWXAVKUSMDI-MRXNPFEDSA-N 338.467 2.914 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCC3(CCOCC3)C2)cc1 1875380622 UJPGVEYQSAFNFS-MRXNPFEDSA-N 342.439 2.915 0 50 EFAA O=C(Nc1ccc(CN2CCCCC2)cc1)[C@@H](O)c1cccnc1 882949357 MHHJMGMARKOJJD-SFHVURJKSA-N 325.412 2.740 0 50 EFAA 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EFAA Cc1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 80105 MDPPTXNTXOHRIH-AWEZNQCLSA-N 332.425 2.788 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 86281 WCDFVUNBWRYRGQ-UHFFFAOYSA-N 343.335 2.887 0 50 EFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 358800 IGVKBZRPQLQBCL-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA CS(=O)(=O)n1nc(-c2ccco2)nc1SCc1ccccc1 619078 ABQUOSMUJJQQCC-UHFFFAOYSA-N 335.410 2.638 0 50 EFAA COCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 8723153 LEFRSPUXNZLTDD-UHFFFAOYSA-N 328.368 2.923 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 225418019 JLSCGVZEBYUQQV-OLZOCXBDSA-N 341.238 2.834 0 50 EFAA O=c1cc(CN(C[C@H]2CCOC2)c2ccccc2)nc2sccn12 225540686 ZMXVDEGAFORUKF-CQSZACIVSA-N 341.436 2.799 0 50 EFAA CSc1ncc(CN2CCC(n3cc(C(C)(C)C)nn3)CC2)cn1 20201613 PPJFMGCSEACHQC-UHFFFAOYSA-N 346.504 2.925 0 50 EFAA COc1ccnc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 116009689 UIWKKYYZVONDIR-UHFFFAOYSA-N 339.395 2.887 0 50 EFAA CCc1ccc(CN(CCOC)C(=O)C2(Cn3ccnc3)CC2)cc1 55042092 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344.459 2.515 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C3CCN(C(C)=O)CC3)C2)c1 65504284 IPWMBAHNFYUDNV-HNNXBMFYSA-N 332.444 2.504 0 50 EFAA COc1ccc(C(C)=O)cc1CN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 229428140 SGGJTFUZVDFRBH-XIRDDKMYSA-N 330.428 2.516 0 50 EFAA COc1ccc2c(c1)CN(C(=O)CNC(C)=O)[C@@H](C1CCCCC1)C2 363956510 BFVQLUXOAUNKSU-LJQANCHMSA-N 344.455 2.665 0 50 EFAA Cc1csc(=O)n1CC(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 151501292 UKCRGASUZXWLJJ-HNAYVOBHSA-N 342.464 2.629 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cc(C)no3)C2)cc1 77470439 IYTIXEOXRXLSMT-AWEZNQCLSA-N 330.384 2.923 0 50 EFAA O=C(CCSCc1ccccc1)N1CCC(n2cnnc2)CC1 219294431 FGCMBJSLIHNOOE-UHFFFAOYSA-N 330.457 2.765 0 50 EFAA CC(C)C[C@@H](O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1 72165304 OAUSJPPHMLBBSZ-GOSISDBHSA-N 333.476 2.843 0 50 EFAA FC1(F)CCN(Cc2ccccc2OCCN2CCOCC2)CC1 215099772 NVEBXBXPVCNLKY-UHFFFAOYSA-N 340.414 2.629 0 50 EFAA CCc1nn(C)c(Cl)c1CNc1ccc(C)c(S(C)(=O)=O)c1 328593251 PQDRBDGIBSPDLY-UHFFFAOYSA-N 341.864 2.960 0 50 EFAA 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CN(C)[C@H](C(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1 263883257 UXMGIKRFLHSBEF-KRWDZBQOSA-N 346.471 2.870 0 50 EFAA COCC1(N(C)C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)CC1 426739787 QFKRRAPCEXHWOR-UHFFFAOYSA-N 326.780 2.769 0 50 EFAA CC(=O)c1cc(-c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)ccc1O 426472962 PEFRARANUSMVHV-QGZVFWFLSA-N 339.391 2.859 0 50 EFAA CC1(C)CC(CC(=O)N[C@H](CO)c2ccc(F)cc2)CC(C)(C)N1 97713703 JLISXBBOUUKFFG-MRXNPFEDSA-N 336.451 2.922 0 50 EFAA COc1ccccc1-n1cc(C(=O)NCc2sc(C)nc2C)cn1 91779945 QYCPZSHTUFWJCL-UHFFFAOYSA-N 342.424 2.884 0 50 EFAA CN(C)C[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CO 91381473 GSKPPLZWTPGXLU-QZTJIDSGSA-N 332.488 2.610 0 50 EFAA CCCn1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(C)n1 91595869 RQDORTHWRRUMTA-GFCCVEGCSA-N 340.387 2.538 0 50 EFAA COc1ccc(-c2nc(CN3C(=O)OC(C)(C)C3=O)c(C)o2)cc1 95497989 IPUMTNJSDAJEGI-UHFFFAOYSA-N 330.340 2.916 0 50 EFAA O=Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 96304519 IXCSYEVJOAWXRH-UHFFFAOYSA-N 330.340 2.739 0 50 EFAA CN(C)CC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)c1ccccc1 97619179 HIWHMAYGSKBQKD-KRWDZBQOSA-N 349.438 2.895 0 50 EFAA CCc1ncnc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1F 179336095 GAIXVJAIEPWUOZ-AWEZNQCLSA-N 328.391 2.639 0 50 EFAA CCOC(=O)N1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 95353977 TZMJPDPTBGGQDQ-KZNAEPCWSA-N 330.428 2.714 0 50 EFAA O=C(NCc1ccn2ccnc2c1)c1ccc(Br)c(O)c1 179658273 VHCKSZVUQSEIGW-UHFFFAOYSA-N 346.184 2.732 0 50 EFAA C[C@H](CNC(=O)N[C@H]1CCCOCC1)c1nc(-c2ccccc2)no1 179677109 OWXQKHLQSYSPPW-HIFRSBDPSA-N 344.415 2.708 0 50 EFAA COc1ccc(-c2cc(C(=O)NCC[C@@H]3CCCOC3)[nH]n2)cc1 91444548 XGNRZMCTDGBZOJ-ZDUSSCGKSA-N 329.400 2.632 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95523023 XETXDVJCOUTRLY-IAGOWNOFSA-N 331.460 2.557 0 50 EFAA O=C1CC[C@@]2(CCOC2)CN1CCc1nccc(-c2ccccc2)n1 91691411 MYOKDOLRUMRVHL-HXUWFJFHSA-N 337.423 2.715 0 50 EFAA CC(=O)c1cc(CC(=O)N(Cc2cocn2)Cc2cocn2)cs1 97527844 RVTRTXBEEIMKMP-UHFFFAOYSA-N 345.380 2.698 0 50 EFAA CN(Cc1ccccc1F)C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 294160863 BGVDOQIHUHHAIC-XYPHTWIQSA-N 348.418 2.502 0 50 EFAA Cn1cncc1CNC[C@H]1CCN(c2cccc(Br)c2)C1 237934023 PVXYRIBVWQPPAG-CYBMUJFWSA-N 349.276 2.799 0 50 EFAA Cc1nn(C)c2nc(N3CCC[C@@H](C(=O)N4CCCCC4)C3)sc12 96140812 DOSFKSVRVRBKCO-CYBMUJFWSA-N 347.488 2.567 0 50 EFAA Cc1c(Br)ccc(C(=O)N[C@H]2CC[C@@H](CO)C2)c1F 295342027 BKKXLSCHQKYVTN-ZJUUUORDSA-N 330.197 2.787 0 50 EFAA CN1CCN(C(=O)CN2CCCCC[C@@H]2c2cccc(F)c2)CC1 244620023 FKMHGSYVVNNIQY-GOSISDBHSA-N 333.451 2.517 0 50 EFAA COc1ccccc1CCC(=O)N1CCCN(CC(F)(F)F)CC1 298497916 YGIHJYNFFSZMPV-UHFFFAOYSA-N 344.377 2.724 0 50 EFAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCO[C@@H](CC(=O)O)C1 299742265 AXMOIGAGUQACCN-GOEBONIOSA-N 349.427 2.670 0 50 EFAA CC(C)c1ncc(-c2cccc(C(=O)NCCOCCO)c2)s1 534660526 RJANQOHEKYNRFS-UHFFFAOYSA-N 334.441 2.672 0 50 EFAA O=C(Cn1ccc(=O)c2ccccc21)NCCCc1ccccc1F 358011254 GGKUQZHMOWJXEB-UHFFFAOYSA-N 338.382 2.890 0 50 EFAA O=C(NC1CC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263619190 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345.453 2.500 0 50 EFAA C[C@@H](O)[C@H]1CCN(C(=O)Nc2ccc(F)c(Br)c2)C1 273309317 XKQYOGMYQMBIOI-BDAKNGLRSA-N 331.185 2.823 0 50 EFAA COCCN1C[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O 273649916 CVEUHUCUWKBMNE-OAHLLOKOSA-N 329.400 2.822 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCO2)o1 275481788 VOMJCGNAOORSOQ-AWEZNQCLSA-N 332.404 2.789 0 50 EFAA CCN1CCN(CCC(=O)N2C[C@@H](C(C)C)c3ccccc32)CC1 278368191 ODKBUWRCKWJLIC-SFHVURJKSA-N 329.488 2.800 0 50 EFAA Cc1ccc(O[C@H](C)C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)cc1 170641572 BEDARGCDFRAEHR-SKDDIYDISA-N 345.464 2.998 0 50 EFAA CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 170638117 DUAOHYHGKZROPY-FXAINCCUSA-N 330.354 2.787 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnc3)cc2)c(C)c1 170617377 NQFCUCKKNRLFKM-UHFFFAOYSA-N 328.397 2.685 0 50 EFAA O=C(NCc1cccc(CN2CCCC2=O)c1)c1csc(Cl)n1 408514279 BQIVTHGWMMZSNH-UHFFFAOYSA-N 349.843 2.849 0 50 EFAA CCOc1c(Cl)cccc1CC(=O)N[C@H]1CC[C@@H](CO)CC1 189481722 LLIUVZXZNPIKSJ-MQMHXKEQSA-N 325.836 2.949 0 50 EFAA CN(C(=O)c1ccnnc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190448927 GSQCKJPVECRKPP-UONOGXRCSA-N 338.194 2.514 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cccc(C2CCC2)c1 644069584 GLGNNDBEQHKCOI-QRVBRYPASA-N 328.456 2.672 0 50 EFAA O=C(Nc1ccc2ncnn2c1)N1CC2(CCC2)[C@H]1C1CCOCC1 645011824 ORPREKZIVVXBOZ-MRXNPFEDSA-N 341.415 2.542 0 50 EFAA CC[C@@H](C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)c1ccccc1 193337604 RFCONINZHYCTRX-HZPDHXFCSA-N 332.469 2.608 0 50 EFAA CC(C)c1nnc2n1C[C@@H](N[C@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 194145078 WMYGVPXICAFVFD-HDEZJCGLSA-N 330.476 2.654 0 50 EFAA COc1ccc2nc(N3CCC[C@@H]3[C@@H]3COCC[C@]3(C)O)ccc2c1 671451293 GBRPLJVSOMUPCE-HQRMLTQVSA-N 342.439 3.000 0 50 EFAA O=C(CN1CCc2cc(Cl)ccc21)Nc1ccc2nc(O)[nH]c2c1 796283564 SDLBWQIMGXVPCP-UHFFFAOYSA-N 342.786 2.923 0 50 EFAA CN(C)c1nc2c(c(NCCCNc3cccnc3)n1)CCCC2 1529167652 LAQQPYNZEDRWPF-UHFFFAOYSA-N 326.448 2.731 0 50 EFAA CCc1nccn1CCC(=O)N1CC[C@H](c2sccc2C)[C@@H](O)C1 209877504 BPZFJWDCAHUOLI-GJZGRUSLSA-N 347.484 2.583 0 50 EFAA 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C[C@@H]1CN(CC(F)(F)c2ccc(F)cc2)C[C@@H]1N1CCOCC1 952994201 NIHYJDWPDJLMKG-CJNGLKHVSA-N 328.378 2.570 0 50 EFAA CC(C)[C@H]1C[C@@H](NC(=O)Nc2cncc(-c3cc[nH]n3)c2)CCO1 1875319355 YXQPVRXWHAGFMM-XJKSGUPXSA-N 329.404 2.797 0 50 EFAA Cn1nccc1[C@@H](O)CNC(=O)c1ccc(C2CCCCC2)cc1 886261354 SLGDZZWDGSHYFL-SFHVURJKSA-N 327.428 2.931 0 50 EFAA Cc1ccccc1C(=O)NC1CCN(c2cccc([C@H](C)O)n2)CC1 891824286 OHXNAPRMQIATHR-HNNXBMFYSA-N 339.439 2.842 0 50 EFAA COc1ccc(Br)c(C(=O)NCC(C)(C)C(C)(C)O)c1 393550293 XTOXANCPKGJHDZ-UHFFFAOYSA-N 344.249 2.985 0 50 EFAA Cc1cc(C)nc(Sc2ccc3nnc(C(F)(F)F)n3n2)n1 449170 XIMHNQRVNNBBHW-UHFFFAOYSA-N 326.307 2.701 0 50 EFAA c1ccc(CCCN2CCCN(Cc3ccn4ncnc4c3)CC2)cc1 2100543100 LQMNUMZWUAAWGA-UHFFFAOYSA-N 349.482 2.870 0 50 EFAA C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1c[nH]nc1-c1ccnn1C 2325777547 KEJHSQXJLHJXLX-SJCJKPOMSA-N 343.406 2.551 0 50 EFAA O=C([C@H]1CCCNC1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 2325789388 MKQCZHRHCLLNQW-ZDUSSCGKSA-N 344.846 2.614 0 50 EFAA 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2.826 0 50 EFAA COCCN1CCN(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 195243337 HRFYTICRYCYVRF-QGZVFWFLSA-N 347.503 2.716 0 50 EFAA Cc1cc(-c2cccc(C(=O)NCCCn3ccnn3)c2)cc(C)n1 426430706 KMXPQSPYECWBFP-UHFFFAOYSA-N 335.411 2.777 0 50 EFAA CC(C)(NC(=O)[C@@]1(c2ccccc2)CC1(C)C)c1nnc(N)s1 426684519 OZMYHNXZHZRELH-KRWDZBQOSA-N 330.457 2.840 0 50 EFAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]2C=C[C@H]1O2 239159572 MJMBIOUKZPOGBE-DDHJBXDOSA-N 328.151 2.586 0 50 EFAA O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1C[C@H]2CC=CC[C@H]2C1 95508390 PFTQWGFEKFAZFE-IXDOHACOSA-N 326.396 2.605 0 50 EFAA Fc1cccc([C@@H]2CN(C3CCNCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 95362348 JLZJKQGDQWXLLI-PWIZWCRZSA-N 347.453 2.579 0 50 EFAA C[C@H](Cc1cnccn1)NC1CCN(c2nc3ccccc3o2)CC1 95374378 KJGMJXAOAPRZDX-CQSZACIVSA-N 337.427 2.807 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)cn1C)CC2 91713591 JIGHNHVVTBUREP-UHFFFAOYSA-N 337.851 2.543 0 50 EFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1noc(C)n1 95367456 SVRZPUGRDWVJNT-AWEZNQCLSA-N 341.415 2.900 0 50 EFAA 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2.679 0 50 EFAA O=C(Nc1ccc(F)cc1)C1CCN(C[C@H](O)CC(F)(F)F)CC1 189372740 QNSVDGLSSZIJKJ-CQSZACIVSA-N 348.340 2.790 0 50 EFAA C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ncnn2C)cc1 190221649 JOLFBPKCIHVDAV-CZUORRHYSA-N 328.416 2.556 0 50 EFAA COc1ncc(C)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653539615 FVEUFQKTJSXUHG-SDDRHHMPSA-N 335.404 2.656 0 50 EFAA CC(=O)Nc1ccc(CNC(=O)N2CCC[C@@H](OC3CCC3)C2)cc1 654362279 MIVUXAWSCNTZSU-GOSISDBHSA-N 345.443 2.888 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNc1ncnc2onc(C)c12 664201715 CMRYLSBTMZVLKV-SWLSCSKDSA-N 342.403 2.722 0 50 EFAA CCc1nc(C)c(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)s1 1529134001 KXLOWHLCIJXTPD-GDBMZVCRSA-N 346.452 2.589 0 50 EFAA Cc1ncc(CN(CCO)Cc2cccc(OC(F)(F)F)c2)[nH]1 1704326591 IJYHKMJGDGQMTQ-UHFFFAOYSA-N 329.322 2.611 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCCN(CCCCO)CC1 1772809427 ASPFJUOQQCPBHT-UHFFFAOYSA-N 344.377 2.626 0 50 EFAA CC[C@H](C(=O)N1CCCN(CCn2ccnc2)CC1)c1ccccc1 1772805989 SIQSNPRFOFXYTG-IBGZPJMESA-N 340.471 2.611 0 50 EFAA 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325.368 2.858 0 50 EFAA Cc1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c(O[C@H]2CCOC2)c1 279794883 GMIRNSNTWHRIER-VYDXJSESSA-N 345.439 2.784 0 50 EFAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)no1 280116444 RYLKJEDPGXEREZ-QMTHXVAHSA-N 340.301 2.950 0 50 EFAA O=C(N[C@H]1CCOC12CCOCC2)N[C@H]1C[C@H](c2cccc(F)c2)C1 894583390 ZUQVNNALNYJZTQ-XIRDDKMYSA-N 348.418 2.709 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 274309145 WCJWRVFGCRNLCC-OAHLLOKOSA-N 347.411 2.538 0 50 EFAA CO[C@H](C)c1noc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 275894085 HYCPZRGTIZJULO-IUODEOHRSA-N 345.447 2.726 0 50 EFAA O=C(N[C@H]1CCc2c(Cl)cccc21)N1CCC[C@@H](OCCO)C1 170086480 XKGVQVATNDWBLF-WBMJQRKESA-N 338.835 2.510 0 50 EFAA CC(C)[C@H](NC(=O)N[C@H](C)C[S@](C)=O)c1ccc(F)cc1F 170594174 BJOMZPNUPVTCOF-OBJCXTSSSA-N 332.416 2.728 0 50 EFAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC12CCC2 170654314 NKDPBPVSQNAABB-STQMWFEESA-N 338.448 2.902 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)C[C@]2(C)CC2(Cl)Cl)s1 408488728 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CCn1cc(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)c(C)n1 534631811 ULFRDLRMJFLOKJ-KRWDZBQOSA-N 328.416 2.574 0 50 EFAA Cc1cccc(CN(C(=O)NCCN(C)CCO)C2CCCCC2)c1 534669344 IKMHUUQYXYJINC-UHFFFAOYSA-N 347.503 2.763 0 50 EFAA COc1ccccc1CCNC(=O)N1CCC2(CCOCC2)CC1 284045080 OZMNIRFTMSKQJT-UHFFFAOYSA-N 332.444 2.840 0 50 EFAA CN(C)[C@@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1 299773558 DESUOGGVGUNBHN-ZDUSSCGKSA-N 333.461 2.779 0 50 EFAA Cc1ccccc1NC(=O)CCNC(=O)CCc1ccc(O)cc1 670460463 VFRJPWMANYLOOW-UHFFFAOYSA-N 326.396 2.778 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)Nc3ccon3)[C@@H]2C1 1413541665 MRYURJCXPDHQGY-NWDGAFQWSA-N 336.392 2.538 0 50 EFAA CCc1ocnc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685942707 MQDSAXGNDJFFBR-SGTLLEGYSA-N 342.399 2.691 0 50 EFAA Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@H]1CCCCN1C 952977751 OYBZHROPDCEAKT-CYBMUJFWSA-N 330.881 2.753 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O 952983796 XQRJMVKMKBMSLH-CQSZACIVSA-N 337.851 2.686 0 50 EFAA C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCCC2=O 408519939 UZVAGSYPNKXWHU-NSHDSACASA-N 326.352 2.556 0 50 EFAA COc1cccc(CC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)c1 270772224 AIALELZPZRHXQG-UHFFFAOYSA-N 344.455 2.631 0 50 EFAA C[C@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)C1=CCN(C)CC1 272698768 FCSLPDUATCQFSY-ZDUSSCGKSA-N 344.434 2.799 0 50 EFAA CC(C)Cn1ncnc1CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 276146667 ZGHMSQZSDISOHN-MRXNPFEDSA-N 328.464 2.873 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC2Cc3ccccc3C2)nn1 276345337 UWGNNDSKFMCETR-ZWKOTPCHSA-N 340.471 2.746 0 50 EFAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCc2ccccc2[C@@H]1CO 170084120 OEYLIRADSVAXQV-SJCJKPOMSA-N 328.412 2.903 0 50 EFAA C[C@@H](NC(=O)N1CC(=O)N(CC2CC2)C1)c1c(F)cccc1Cl 278898120 FKWAPGGLYGPBHA-SNVBAGLBSA-N 339.798 2.761 0 50 EFAA CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)O 302839005 XGGOVOMSASBEST-UHFFFAOYSA-N 349.408 2.604 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 279517706 LNCSNNZIKIIQAL-GLJUWKHASA-N 348.443 2.671 0 50 EFAA CC(C)(C)c1ncc(NC(=O)N[C@H]2COc3ccccc3C2)cn1 171316966 DLNCZJBQEWKMFD-CYBMUJFWSA-N 326.400 2.899 0 50 EFAA CCOc1ccc(-c2cn([C@@H]3CCN(C(C)(C)C)C3=O)nn2)cc1 641108331 MVGQAUCOHBMGCT-MRXNPFEDSA-N 328.416 2.916 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCc2nn(C)cc2Cl)cn1 657481907 ZXZZORNXTSBWKS-BLLLJJGKSA-N 337.855 2.547 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCN2c2nc(C(N)=O)cs2)cc1 1529191835 FUNRIGBXYBNFOR-OAHLLOKOSA-N 330.457 2.645 0 50 EFAA CCc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)ccn1 222419448 VUZAAQBMVXCKSQ-SJORKVTESA-N 342.370 2.724 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(C(F)(F)F)c(F)c1)C2 1772706839 YCHUODLELQKFAI-IUODEOHRSA-N 333.325 2.675 0 50 EFAA Clc1cnn(CCN2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)c1 1772705695 ZFRHHNDDCRGDED-PKOBYXMFSA-N 344.890 2.691 0 50 EFAA Cc1cc(C)n2ncc(CN3CCC[C@]4(CCc5c[nH]nc54)C3)c2n1 1775981096 OKJVVBGZXUMJQC-IBGZPJMESA-N 336.443 2.549 0 50 EFAA CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 11668272 UPQVCFKBCDGWOL-GOSISDBHSA-N 343.496 2.851 0 50 EFAA CN(C)Cc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1 12707418 XMTAHQPWIVSGCS-KRWDZBQOSA-N 346.402 2.564 0 50 EFAA CCOc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 13715439 MXOJFGRJKJFVRV-UHFFFAOYSA-N 326.396 2.968 0 50 EFAA CN1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO 19642027 RGPGXMFZEAIJGX-FQEVSTJZSA-N 340.467 2.764 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1cccc(CC(F)(F)F)c1)C2 1857669791 NZNGMJJLVVCYCW-JKSUJKDBSA-N 329.362 2.622 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(Cc1ccccn1)C[C@@H]2C(=O)O 1857693583 CTJAHOOEZAVDPQ-GOSISDBHSA-N 343.471 2.646 0 50 EFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NC(C)C)C3)nc2c1 1857711084 GPEKVNJZDAIZTE-ZDUSSCGKSA-N 331.416 2.968 0 50 EFAA Cc1cc(F)ccc1N1CCC(N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)CC1 1857722855 QCURBQRPYRNWFK-IPELMVKDSA-N 347.478 2.554 0 50 EFAA O=C(c1cccc2[nH]cnc12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225677610 VROQOQZIFFUOEY-CJNGLKHVSA-N 325.343 2.650 0 50 EFAA O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2ncc[nH]2)CC1 114180641 OCKGGEDIBJGKEV-UHFFFAOYSA-N 346.475 2.671 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@H]1CCCOC1 328617940 DGCORCUFYUOPTJ-KPFFTGBYSA-N 345.487 2.740 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCc3cc(OC)ccc3C2)c1 634693077 PTQIOMDXDMBEQR-SFHVURJKSA-N 327.380 2.888 0 50 EFAA C[C@@H]1CC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 248747740 FPDYLGSEYCBWAY-YKTARERQSA-N 345.487 2.762 0 50 EFAA CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccccn3)CC2)c1 253417325 SLSJQNUJJYWTSC-UHFFFAOYSA-N 338.411 2.895 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H]1c1nncn1C 152243986 OJNSDQDOBGOALW-DGCLKSJQSA-N 347.394 2.571 0 50 EFAA CCN(C)c1ccccc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 786114529 FNGYPKMZTPXNMC-OAQYLSRUSA-N 338.451 2.679 0 50 EFAA Cc1cc(C)c(Cn2cc(CNC(=O)c3ccccc3)nn2)c(C)n1 900579177 GNWKZLGQNOADJK-UHFFFAOYSA-N 335.411 2.577 0 50 EFAA COc1cc(NC(=O)N2CCN(C)[C@H](C(C)(C)C)C2)cc(OC)c1 902989041 WZKRYZVHDBJRGV-INIZCTEOSA-N 335.448 2.898 0 50 EFAA Cn1nc2c(c1NS(=O)(=O)c1cscc1C(F)F)CCC2 903615102 SAXBSWPTAAMMCN-UHFFFAOYSA-N 333.385 2.709 0 50 EFAA CC(C)n1ncc(C(=O)NCc2c(F)cccc2N2CCCC2)c1N 804130383 XGDXCJPOKQPIPL-UHFFFAOYSA-N 345.422 2.716 0 50 EFAA CCC[C@H](NS(=O)(=O)c1cnn2ccccc12)c1ccccn1 1209342124 BMBDOQBBWZJPOU-AWEZNQCLSA-N 330.413 2.549 0 50 EFAA O=C(NC1(c2noc(C(F)F)n2)CCC1)c1cnn(C2CCC2)c1 820259202 ZSBXJGHPQQIPHV-UHFFFAOYSA-N 337.330 2.738 0 50 EFAA CCN(C(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccc(F)c(C)c1 828990354 OHKXPFUAIOKRJH-UHFFFAOYSA-N 342.370 2.923 0 50 EFAA C[C@H](NC(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@H](O)c1ccccc1 1141763215 KITSMGPCKZMRRF-GTNSWQLSSA-N 340.354 2.728 0 50 EFAA CCNC(=O)c1cc(NC(=O)NCC2(CCOC)CC2)c(C)s1 864059041 ZETOYCVTOALHIO-UHFFFAOYSA-N 339.461 2.744 0 50 EFAA Cc1nnc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)o1 1875282060 LFZTXNRCSMCJIJ-UHFFFAOYSA-N 341.289 2.591 0 50 EFAA CCCn1ncc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1C1CC1 1875265774 NNEVTBMZPNYLQM-XJKSGUPXSA-N 333.480 2.974 0 50 EFAA Cc1ccc(-n2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)n2)cc1 1875333397 RNAOIYIRGGTJHZ-QGZVFWFLSA-N 335.363 2.736 0 50 EFAA O=C(NC[C@H]1CC2(CC2)CN1c1ncnn2cccc12)c1ccccc1 1875335631 AHLAKBWGXZDVNV-MRXNPFEDSA-N 347.422 2.518 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3cnc4cnccn34)c2)n1 1875323151 ZLRBADSEGHWEFF-UHFFFAOYSA-N 346.394 2.843 0 50 EFAA CC(C)(C)C(=O)Nc1cnccc1[C@@H](NCCCO)C(F)(F)F 888093457 SGGGVPOILWWGDR-GFCCVEGCSA-N 333.354 2.642 0 50 EFAA c1ccc(Cn2nnc3c(Nc4cnn5c4CCCC5)ncnc32)cc1 894937880 UODLYFIWUSAYSW-UHFFFAOYSA-N 346.398 2.546 0 50 EFAA O=C(NCC1(F)CNC1)OCC1c2ccccc2-c2ccccc21 1775955794 YTIIFRGLUMKBOF-UHFFFAOYSA-N 326.371 2.837 0 50 EFAA O=C(NC1CC1)c1ccsc1NC(=O)N1CCOC[C@@H]1C1CCC1 1776006618 RUVPFUSXLJYDMT-CQSZACIVSA-N 349.456 2.673 0 50 EFAA CS(=O)(=O)[C@H]1C[C@H](CNc2cnc3cc(Cl)ccc3n2)C1 2325807225 IRQNAHRCCRBJIW-HOMQSWHASA-N 325.821 2.518 0 50 EFAA N[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3)nn2)Cc2ccccc21 2325860913 YTRUDPWGPOYCIJ-QGZVFWFLSA-N 345.406 2.749 0 50 EFAA C[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(Oc2ccccc2)cn1 909654223 PSZFHBSTVAUPQA-SFHVURJKSA-N 326.352 2.953 0 50 EFAA COc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 101590 RLJZCFZGIVVNEA-KRWDZBQOSA-N 326.377 2.580 0 50 EFAA COc1cccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 266649 GXPBIMIHSLOQCW-UHFFFAOYSA-N 344.455 2.950 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CC1 310717 ARJYDVSKWGDFJB-UHFFFAOYSA-N 342.420 2.787 0 50 EFAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCCC1 325711 IBDCYNUTWVDZPY-UHFFFAOYSA-N 340.143 2.595 0 50 EFAA O=C1C[C@@H](c2ccco2)Cc2nc3nc(-c4cccnc4)nn3cc21 4992902 MXCDETOOUDASNF-LBPRGKRZSA-N 331.335 2.692 0 50 EFAA COC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc2c1CCC2 4810703 AFFBILSSGXPTQB-UHFFFAOYSA-N 340.470 2.883 0 50 EFAA CC(C)c1cc(N2CCC(c3ccncn3)CC2)nc(N(C)C)n1 413470192 MGRDHOWLWHNZLI-UHFFFAOYSA-N 326.448 2.840 0 50 EFAA CCOC(=O)Cc1c(C)[nH]c2c(-c3ccc(Cl)cc3)cnn2c1=O 8653872 IJHBSWHVFLZRRA-UHFFFAOYSA-N 345.786 2.757 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 280643365 COWCEXKOWLUJBP-LCHIKPRUSA-N 347.436 2.603 0 50 EFAA CCOCCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 9878513 WHBOOWNHFQLMRG-HOTGVXAUSA-N 335.400 2.931 0 50 EFAA COc1cc(F)ccc1N1CCN(Cc2nccn2C(F)F)CC1 115550692 OPEATUCMRMQNLJ-UHFFFAOYSA-N 340.349 2.748 0 50 EFAA Cc1ccc(NC(=O)CC(=O)NC[C@@H](O)c2ccccc2Cl)cc1 55197660 GFUGCJHUGJBILP-MRXNPFEDSA-N 346.814 2.827 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348270334 XMVKVFMOOXYSNY-HIFRSBDPSA-N 329.327 2.503 0 50 EFAA CCCn1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1C 65435944 SXEIWPFWHOYFLX-UHFFFAOYSA-N 341.337 2.649 0 50 EFAA CC1CCN(C[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)CC1 120198655 XXVOGCWRQHWVRH-HNNXBMFYSA-N 336.505 2.526 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(-c3cccc(O)c3)nc2)no1 67818447 HVMANVGHDOFOOI-UHFFFAOYSA-N 338.367 2.891 0 50 EFAA Cc1ccsc1C(=O)NCC[C@@H]1CCCN(C2CCN(C)CC2)C1 67921803 PDANHOWUPWQLEJ-INIZCTEOSA-N 349.544 2.983 0 50 EFAA CCCCc1nc(CN2CCN(c3ccc(Cl)nn3)CC2)c[nH]1 65394302 RFZDAEXHCJFOIF-UHFFFAOYSA-N 334.855 2.518 0 50 EFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 328628885 HSKQLCLIPXVZOZ-SJORKVTESA-N 346.475 2.937 0 50 EFAA Cc1nn(CCNC(=O)c2ccccc2[C@@H]2CCNC2)c(C)c1Cl 72151066 HJKZXILMFSNYOI-CQSZACIVSA-N 346.862 2.660 0 50 EFAA CCCCN(Cc1ccccc1)C(=O)[C@H]1CC2(CCNCC2)CN1 72143163 KAOQATAIYATTNV-GOSISDBHSA-N 329.488 2.547 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H](c2ccsc2)O1 253430103 HWWGJSBEULVQKJ-ZWNOBZJWSA-N 341.383 2.812 0 50 EFAA Cn1cc(CN2CC[C@H](O)c3ccccc3C2)c(-c2ccncc2)n1 363890891 SIOXGFIGWWENOX-IBGZPJMESA-N 334.423 2.921 0 50 EFAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 333220391 WLEVQKHZYBXFMA-LJIZCISZSA-N 334.441 2.508 0 50 EFAA CCOc1cccc(N2CCC(NC(=O)c3ccc(C)o3)CC2)n1 1364441122 UEJGKEDBIJUJLH-UHFFFAOYSA-N 329.400 2.781 0 50 EFAA CCn1nc(C)c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1C 155080681 CUQRBDXMBAOSEB-UHFFFAOYSA-N 328.416 2.505 0 50 EFAA O=C(CCCc1cccs1)N1CCC[C@](O)(CN2CCCC2)C1 77355338 OZFRSEBKVHKKMY-SFHVURJKSA-N 336.501 2.520 0 50 EFAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1nc2ccccc2nc1C1CC1 449893174 VHSVQRKPTKZOLM-CYBMUJFWSA-N 333.395 2.518 0 50 EFAA Cc1ccc(CC[C@@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)o1 371806498 GBWZSLXHAOEKLC-HIFRSBDPSA-N 330.432 2.842 0 50 EFAA COCCCN1C(=O)CC[C@H]2CN(c3nccc4occc34)CC[C@H]21 72474700 XCBMMLSCSJPIRA-GOEBONIOSA-N 343.427 2.682 0 50 EFAA Cc1cccc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1C 377707057 VCPRJZARULBPGE-UHFFFAOYSA-N 339.439 2.841 0 50 EFAA c1cn(-c2ccc(CNc3ccc(-c4cncnc4)cn3)cc2)cn1 373999296 RPXVYLACTBYFHJ-UHFFFAOYSA-N 328.379 3.336 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@H](O)c2ccccc2F)C1 375172478 VTIZWWQTMOHILV-KSSFIOAISA-N 334.391 2.755 0 50 EFAA Cc1cc(C)nc(SCC(=O)N2CCOC[C@H]2c2ccccc2)n1 377910546 OAUARXIZSPAYJL-INIZCTEOSA-N 343.452 2.786 0 50 EFAA CCCn1cc(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)c(C)n1 72157332 RVTPUMBHDROQFH-UHFFFAOYSA-N 340.471 2.754 0 50 EFAA C[C@H]1CC(NC(=O)c2cnc(S)n2-c2ccccc2)C[C@H](C)O1 131093649 FENWHMLXTYBLCU-RYUDHWBXSA-N 331.441 2.847 0 50 EFAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CCC(=O)N(C)C2)o1 241587824 OXKKVAXIHOEYPU-SNPRPXQTSA-N 333.432 2.691 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cccc3c2OC(C)(C)C3)C1 284544308 KWUXIIIAGNXPGJ-CVEARBPZSA-N 342.443 2.789 0 50 EFAA COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3C(=O)O)c2c1 263402570 FMYJVVNGSVPQKO-KRWDZBQOSA-N 340.379 2.810 0 50 EFAA O=C(O)COc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 263514952 DKABXKDOJWOTRE-UHFFFAOYSA-N 337.375 2.838 0 50 EFAA Cc1nn2c(ncc3c(=O)n(CCN(C)C)ccc32)c1-c1ccccc1 40387985 GIPTVALRIJOCMN-UHFFFAOYSA-N 347.422 2.581 0 50 EFAA O=C(CC[C@H]1CCOC1)NCC1(N2CCSCC2)CCCCC1 177353528 VSIAUWHIKMENTN-INIZCTEOSA-N 340.533 2.671 0 50 EFAA Cc1ccc2[nH]c(CN[C@H]3CCOC4(CCOCC4)C3)nc2c1C 82109706 LWJSOUVJVPKNEB-HNNXBMFYSA-N 329.444 2.998 0 50 EFAA NC[C@H]1CCN(C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 178542869 RBXCPCJXHKNHDW-FZKQIMNGSA-N 346.377 2.892 0 50 EFAA CCOc1ccccc1C(=O)NCC(=O)N1CC2(CCC2)[C@@H]1C1CC1 291181059 SNIVXYVPUPCLPU-SFHVURJKSA-N 342.439 2.606 0 50 EFAA COCCN(Cc1cccc2ccccc12)C(=O)NC1(C(=O)O)CC1 426504130 XHGDHEFZJUZVQV-UHFFFAOYSA-N 342.395 2.615 0 50 EFAA COCCn1cncc1CNC(=O)N1CCCCC[C@@H]1c1ccco1 426544940 GBXPILKLEGDQKC-MRXNPFEDSA-N 346.431 2.949 0 50 EFAA COc1ccc2nc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)sc2c1 239174415 PZMGEQRKYWHISX-QYAIJTBZSA-N 346.408 2.990 0 50 EFAA CC(C)(C)N1C[C@H](C(=O)NCc2ccc(F)c(Cl)c2)CC1=O 91694229 UAQXJEFMMANDRJ-LLVKDONJSA-N 326.799 2.742 0 50 EFAA Nc1ccc([C@@H](C(=O)O)N2CCC3(C=Cc4ccccc43)CC2)cn1 95389027 DSCPDUXDXRKJJJ-SFHVURJKSA-N 335.407 2.850 0 50 EFAA COc1ccccc1-c1n[nH]cc1C(=O)N[C@@H](CO)c1ccccc1 230216624 JIBVJJZKFSIPBF-INIZCTEOSA-N 337.379 2.549 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NCCc3nccnc3C)c12 294218883 UECYBZZFBVVXAG-UHFFFAOYSA-N 338.411 2.566 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H](F)c1ccccc1)CC2 91746012 UEFLZBUQNUAYLY-QGZVFWFLSA-N 332.419 2.948 0 50 EFAA Cc1ccc(N2CCC(c3nccn3CCCN(C)C)CC2)nc1 95518747 SUGZEXUOPYELQY-UHFFFAOYSA-N 327.476 2.922 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCC[C@@H](CN2CCCCC2)C1 95361145 QJUBHEZDQZLLKU-ZDUSSCGKSA-N 326.391 2.616 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N2CC[C@H]2c2ccccc2)CC1 95380468 SHKVSHLYXXMWPG-SFHVURJKSA-N 326.440 2.999 0 50 EFAA 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COc1cnccc1[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2)C1 195572554 DLWQVYNCIXXYRT-CABCVRRESA-N 340.427 2.729 0 50 EFAA CC(F)(F)C(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 656186605 JUISRVUOBDEVSA-UHFFFAOYSA-N 346.399 2.526 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ncnc2c1CCCCC2 681912389 LJUVSMWFYIQBON-SUMWQHHRSA-N 327.432 2.669 0 50 EFAA Fc1cc(F)cc(CN2CCN(C3CSCCSC3)CC2)c1 1506405115 XHXHILXVNZQZFY-UHFFFAOYSA-N 344.496 2.931 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCCc2noc(-c3ccccc3)n2)n1 1506418846 UEWDMDXCEVSWQR-CQSZACIVSA-N 325.416 2.771 0 50 EFAA COc1ccccc1/C=C/CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529192132 OHWHIAIWJWVIHG-VECFDBJGSA-N 328.456 2.897 0 50 EFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCC2(CCN(C)CC2)C1 1529191162 TWQHXSIHNVZRHJ-KRWDZBQOSA-N 332.444 2.547 0 50 EFAA O=C(CCn1cccn1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529095901 YZHZIXGPEVTWKR-ZWKOTPCHSA-N 325.412 2.652 0 50 EFAA c1ccc([C@H]2C[C@@H]2n2ccnc2-c2cn(C3CCNCC3)nn2)cc1 212740946 AFFDWTRPKXQHGX-AEFFLSMTSA-N 334.427 2.795 0 50 EFAA CC(C)CN1C[C@H]2CN(CCCn3cccc3)C[C@@]2(CCC(=O)O)C1 1772817775 WZBWVAQZCMRRCC-QUCCMNQESA-N 347.503 2.633 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1c(Cl)cccc1Cl)C2 1772709040 GNNUDYFUUTYYLE-BMIGLBTASA-N 330.211 2.917 0 50 EFAA CC(C)c1ncc(-c2nccn2-c2ccc3c(c2)ncn3CCO)cn1 1775976955 CIUCJAUXIADGTM-UHFFFAOYSA-N 348.410 2.795 0 50 EFAA Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CC(C)C 13942640 LDTXPDYRCSCKIV-UHFFFAOYSA-N 330.457 2.924 0 50 EFAA CN(C)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 169890355 FEBQTPORAFWPLA-UHFFFAOYSA-N 344.242 2.869 0 50 EFAA Cc1nc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)cn1C 1857670624 CFYDZTWNRPWSHY-UHFFFAOYSA-N 335.455 2.730 0 50 EFAA CN(C)C(=O)c1ccc(N(C)C[C@@]2(c3ccccc3)CC2(C)C)nn1 1857674187 WLHKVWANQSAUDQ-HXUWFJFHSA-N 338.455 2.983 0 50 EFAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ncncc2Br)C1 225513091 HBKKQOAAQCSIFE-YPMHNXCESA-N 338.180 2.691 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2ccc(CN(C)C)c(F)c2)CCO1 225503754 GBILSPZZSCCIPM-SFHVURJKSA-N 337.439 2.598 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3ccccc3Br)C2)n1 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HNIIWWNKJRRWMO-UKRRQHHQSA-N 330.350 2.727 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1Cc1csc(C(F)(F)F)n1 894734576 HQTNUSKJQXSUQX-JTQLQIEISA-N 342.408 2.561 0 50 EFAA CC[C@H](NC[C@](C)(O)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1775994776 CAZVFLLVBOLUCP-XUWXXGDYSA-N 326.481 2.773 0 50 EFAA O=C(CCc1cscn1)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1324021055 GWEQWEHVOZDMMR-UHFFFAOYSA-N 342.380 2.598 0 50 EFAA O=S(=O)(NC[C@@H]1OCc2ccccc21)c1cc(C(F)F)ccn1 2325782536 FWLJEQLVLLWKDM-ZDUSSCGKSA-N 340.351 2.569 0 50 EFAA C[C@H](Nc1cnn(CC(F)(F)F)c1)c1nnnn1-c1ccccc1 126331349 VPGGKBPIWYRYSY-JTQLQIEISA-N 337.309 2.594 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccco1 312149 KLZITMPFAZYWHX-UHFFFAOYSA-N 330.369 2.512 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc(C)cc1 431463 FWXBUTRTLUWXJO-QGZVFWFLSA-N 329.396 2.966 0 50 EFAA O=C(Cc1ccccc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 482216 TUEDHEIOEREPEA-GOSISDBHSA-N 338.407 2.777 0 50 EFAA CC(C)[C@@H](Nc1cccc(Br)c1)N1C(=O)CCC1=O 2821175 RLFUTMDQEZHSNR-AWEZNQCLSA-N 325.206 2.992 0 50 EFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 2843376 IEUHVZIXYKYEGV-SFHVURJKSA-N 327.428 2.664 0 50 EFAA Cc1cc(N)n(-c2ccc(Oc3ccccc3)cc2S(=O)(=O)O)n1 2981283 WSWHSEOXFVVWRC-UHFFFAOYSA-N 345.380 2.802 0 50 EFAA Cc1ccc2ncnc(N3CCC[C@@]4(CCc5cnc(C)nc54)C3)c2n1 2356155676 JAEQEGWKQQTOEL-HXUWFJFHSA-N 346.438 2.916 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348263482 KRIWKBYTBLQDBB-MOPGFXCFSA-N 343.398 2.719 0 50 EFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@](C)(CC(C)C)C(N)=O)c1 110552812 MZDYUZKTUOBOIM-SJCJKPOMSA-N 340.851 2.822 0 50 EFAA Cc1ccc(/C=C/C(=O)OCCCN2CCN(C(C)C)CC2)cc1 225842548 SGOQTDKZJYZSRR-MDZDMXLPSA-N 330.472 2.968 0 50 EFAA C[C@H](NC[C@@H](O)C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 226565876 JILBACHVPBFHFY-QJPTWQEYSA-N 340.386 2.535 0 50 EFAA CCN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)ccc1F 55383888 IYQVXQZXETVJOW-AWEZNQCLSA-N 336.407 2.880 0 50 EFAA Cn1c(=O)c(CNC(=O)c2ccc(F)c(F)c2F)cc2ccccc21 343403681 IDFVRBJASUVUAA-UHFFFAOYSA-N 346.308 2.886 0 50 EFAA 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Cc1ccc2snc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCC3=O)c2c1 329035262 MSDMIBQEPRBMQE-GXTWGEPZSA-N 344.436 2.815 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1CN1CCOCC1 72127087 SIONCDBEGVWGGP-AWEZNQCLSA-N 339.386 2.683 0 50 EFAA CCn1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H](C)COC)cc1=O 215284010 XNWCSKBEFWOXAM-CQSZACIVSA-N 346.402 2.685 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2Cc3cccc(O)c3C2)c1Cc1ccccc1 446344923 VEHGPPRLLWESCN-MRXNPFEDSA-N 347.418 2.614 0 50 EFAA COc1ccnc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 128249453 RVVSHXSDNAWFQP-CHWSQXEVSA-N 339.317 2.816 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)c(F)c2)c1 282504470 NJNRWBDICUAVHT-KSSFIOAISA-N 347.361 2.850 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1ccc(N2CCCC2)c(F)c1 238017264 HNZAUZJJQBSTPD-UHFFFAOYSA-N 334.391 2.799 0 50 EFAA CN(OCc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCCC2 156272060 MERXHSLQSAKKID-UHFFFAOYSA-N 326.396 2.848 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(Cc3ccc(CO)o3)CC2)cc1 72408512 XSMQMDRJRCWMHU-UHFFFAOYSA-N 345.395 2.579 0 50 EFAA c1cnc(N2CCC3(CCCN3Cc3nc4ccccc4[nH]3)CC2)nc1 72429028 VHHQRJGRSIAXGU-UHFFFAOYSA-N 348.454 2.988 0 50 EFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cccc(-n2ccnn2)c1 377582873 FDMMNCUYRVCJJE-YVEFUNNKSA-N 335.367 2.911 0 50 EFAA COc1ccccc1-c1ccc(C(=O)NCCN2CCCC2=O)cc1 223648963 BYUMAPPLIXXNGV-UHFFFAOYSA-N 338.407 2.714 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)Cc2cccc(F)c2F)CC1 82109271 MXSDQPIGILQNKA-UHFFFAOYSA-N 345.393 2.950 0 50 EFAA O=C(NCCCN1CCCC1)C1CCN(Cc2ccccc2)CC1 44913393 DHVVPWFXDPQDMZ-UHFFFAOYSA-N 329.488 2.501 0 50 EFAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC1Cc2ccccc2C1 223129895 JUCMKUNOFSQGDI-WOJBJXKFSA-N 342.439 2.723 0 50 EFAA Cc1ccccc1CCNC(=O)N(CCCO)Cc1cccnc1 426490461 OJKPTJKDUJXIQM-UHFFFAOYSA-N 327.428 2.527 0 50 EFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCCn1ccccc1=O 426359125 WIDNIJISBBQXPP-UHFFFAOYSA-N 341.386 2.526 0 50 EFAA O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccnn1CCO 223195041 OGPMRLWJIXCUEU-UHFFFAOYSA-N 345.786 2.719 0 50 EFAA CCOCCn1nc(C)cc1C(=O)NCc1csc(C(C)C)n1 222594923 FUBJSXJLVCUHNI-UHFFFAOYSA-N 336.461 2.738 0 50 EFAA COc1ccccc1C1(CNC(=O)c2cn(C)nc2C2CC2)CC1 290838960 YRHQUCYWBXGUTH-UHFFFAOYSA-N 325.412 2.768 0 50 EFAA CCS(=O)(=O)Nc1ccc([C@H](C)NCCCN2CCCC2)cc1 178413529 KMBOBSDAXQKLTR-HNNXBMFYSA-N 339.505 2.585 0 50 EFAA CCc1noc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1 91526306 OZSKSKSZHSDTQX-IBGZPJMESA-N 346.475 2.779 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)c3cnc(-c4ccccc4)[nH]c3=O)C[C@@H]2C1 91780182 KRMJQTFIOVERQA-CVEARBPZSA-N 335.407 2.865 0 50 EFAA O=C([C@H]1CCCO1)N1CCC(c2nccn2Cc2ccccc2)CC1 95505789 LKEAECSOOVNQGF-GOSISDBHSA-N 339.439 2.816 0 50 EFAA Cc1nn(C)c2nc(N3CCN(CCc4ccccc4)CC3)sc12 95505362 XDOHHTFRCUABJR-UHFFFAOYSA-N 341.484 2.703 0 50 EFAA CCn1nc(C)c([C@@H](C)n2cc(-c3ccc(OC)nc3)nn2)c1C 95381518 FNFWBESUZFCLGK-CYBMUJFWSA-N 326.404 2.791 0 50 EFAA CCCc1nc(C(=O)N2CCN(C3CCSCC3)CC2)cs1 91679317 SJLAQFVAKOKBSE-UHFFFAOYSA-N 339.530 2.749 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC[C@@H](C(=O)O)C1 95512904 HDOWRVQLOVSLKE-CQSZACIVSA-N 328.412 2.959 0 50 EFAA Cc1cc2cccc(-c3nc([C@@H]4CCOC4)nn3CC(=O)O)c2o1 97217706 ZVTAHYFBGSJLGS-GFCCVEGCSA-N 327.340 2.588 0 50 EFAA O=C(c1nc(Br)cs1)N1C[C@H](CO)c2ccccc21 817782304 LHVCIXADUKYUAP-MRVPVSSYSA-N 339.214 2.642 0 50 EFAA Cc1cccc(CSCCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 91872259 JDDITDZKASWENP-MRXNPFEDSA-N 349.500 2.525 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H]2CNCC[C@H]2c2ccc(F)cc2)s1 349045701 FMVHTEHJQQVYMU-GJZGRUSLSA-N 346.427 2.965 0 50 EFAA CN(CCC(=O)Nc1cccnc1)Cc1ccc2nsnc2c1 244874635 XESHLIYGFUWGET-UHFFFAOYSA-N 327.413 2.547 0 50 EFAA CN(C)Cc1noc(CN(C)Cc2ccccc2C(F)(F)F)n1 244873622 WTAWVCXWSXDZNW-UHFFFAOYSA-N 328.338 2.782 0 50 EFAA C[C@H]1CCN2c3ccccc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 245253706 KRMAYBGNWGWWGJ-SWLSCSKDSA-N 329.396 2.670 0 50 EFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1nc(C)cc1C 244899603 ZMSGPARVSIGOKN-GOSISDBHSA-N 344.459 2.858 0 50 EFAA Cc1ccc(CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)s1 299174106 WOOULSJFYMGHIL-UHFFFAOYSA-N 349.477 2.982 0 50 EFAA Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1C 299787276 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339.439 2.674 0 50 EFAA COCCCN(C(=O)c1ccnnc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 408515861 RBEOKXJKUAIQAR-HSFUPAIVSA-N 329.444 2.780 0 50 EFAA C[C@H]1OCC[C@]12CN(CCC(=O)Nc1ccccc1Cl)CCO2 280387889 KDTKWSLCFMISAH-DYVFJYSZSA-N 338.835 2.548 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)c1c[nH]nc1-c1ccsc1 188523751 PSWKNRNMJBIJIW-LLVKDONJSA-N 329.429 2.709 0 50 EFAA OC/C=C/CNCc1cc(Br)sc1Br 639430313 QTMPFHLCLZITFK-OWOJBTEDSA-N 341.068 2.911 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1 190475254 MSAKBHCDVLOHCY-CHWSQXEVSA-N 346.408 2.940 0 50 EFAA CCOC(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)c1ccccn1 195177556 MBBRCLWEBLLDNV-CYBMUJFWSA-N 348.424 2.640 0 50 EFAA CSc1nc(N)cc(N2CCC3(CC2)OCCc2ccsc23)n1 1704312313 PDQNHDHJNHMCLE-UHFFFAOYSA-N 348.497 2.911 0 50 EFAA Cc1cccc(OCCN2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1C 1704298376 IUUFQLXNCYZDMY-QUCCMNQESA-N 347.455 2.620 0 50 EFAA COCc1ccc(C(=O)N2CCO[C@H](Cc3cccc(OC)c3)C2)o1 11838821 XYVGENPQMSWFJX-QGZVFWFLSA-N 345.395 2.518 0 50 EFAA O=C(Nc1cccs1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 11952475 JCBIFOPYWHSQTB-CQSZACIVSA-N 341.436 2.638 0 50 EFAA COc1ccc(Cn2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)nn2)cc1 11997954 HPVMFVDLQWSFOI-ZWKOTPCHSA-N 348.406 2.621 0 50 EFAA CCOC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 12304331 SBOMSWICPRIHKD-UHFFFAOYSA-N 345.399 2.520 0 50 EFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 12710090 LMIRPNPPIFQLQM-FQEVSTJZSA-N 344.455 2.692 0 50 EFAA CN1CCC[C@@]2(CCN(Cc3cc4c(cc3Cl)OCO4)C2)C1=O 12750776 FWFMPIUDJJTQES-KRWDZBQOSA-N 336.819 2.513 0 50 EFAA C[C@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)C[C@@H](C)O1 15076068 XZSDFWNALKKRIG-TXEJJXNPSA-N 334.347 2.642 0 50 EFAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC(C)C)CC1 19938330 FOICDFLCFWTYPY-MRXNPFEDSA-N 326.868 2.556 0 50 EFAA COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC 4628745 OLABGGKKRPSVTN-UITAMQMPSA-N 343.202 2.605 0 50 EFAA Cc1c(-c2nc([C@@H](C)O)nn2CC(F)(F)F)nc2ccccn12 1857671108 OVTCBOGOVDLNED-SECBINFHSA-N 325.294 2.517 0 50 EFAA COc1cccnc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1 1857686947 KNYRMYBABSVSST-LJQANCHMSA-N 337.467 2.765 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1C 408023545 SADXVDLZMJCWBI-NYTXWWLZSA-N 335.469 2.889 0 50 EFAA Cc1cc(NC(=O)NC[C@H]2CCCNC2)cnc1N1CCCC[C@H]1C 333201888 YABIBABFVATISL-CVEARBPZSA-N 345.491 2.890 0 50 EFAA COCCn1c([C@@H](C)NC(=O)c2c(C)noc2C)nc2ccccc21 334161536 DAXKOLKRJIKPCN-GFCCVEGCSA-N 342.399 2.779 0 50 EFAA Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(O)cccc3F)c2)n1 130836899 SBGQYESOQBIILD-UHFFFAOYSA-N 339.326 2.842 0 50 EFAA CC(C)N1CC[C@H](NC(=O)c2ccon2)[C@H]1c1ccc(F)c(F)c1 253369251 AFWUREMAQYRYQF-GOEBONIOSA-N 335.354 2.907 0 50 EFAA C[C@@H](NC(=O)NC[C@@H]1CCCN1C1CCCCC1)C1CCOCC1 373886761 GEIMRYCZDPOFQC-QAPCUYQASA-N 337.508 2.898 0 50 EFAA CCOc1ccccc1OCC(=O)N1C[C@@H](C)Oc2ncccc21 158757383 NBBUWMOTZHVAMI-CYBMUJFWSA-N 328.368 2.673 0 50 EFAA O=C(Nc1cccc2nccn12)[C@@H]1CCCN1C(=O)Cc1ccccc1 266095687 NCSPVLQUGNJZIR-INIZCTEOSA-N 348.406 2.507 0 50 EFAA O=C(O)C1CCC(C(=O)N2CCCN(c3ccccc3F)CC2)CC1 911678059 IUHAELBLBZZUKV-UHFFFAOYSA-N 348.418 2.755 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@@H]1CCc1ccccc1 917702240 DGGQATKWQNAKIY-DLBZAZTESA-N 333.453 2.559 0 50 EFAA O=S1(=O)CCC[C@H]1CN1CCC(c2ccnc3ccccc23)CC1 930610871 GONRAVUHIZLYBM-INIZCTEOSA-N 344.480 2.991 0 50 EFAA Cc1cc(F)cc2c1N(C(=O)c1ccc(S(C)(=O)=O)nc1)CCC2 933150694 VODNLOPMLOASDS-UHFFFAOYSA-N 348.399 2.526 0 50 EFAA Cc1[nH]nc2c1CCCN2Cc1nc(O)c2c(C)c(C)sc2n1 934312383 VRHMSSYZRAVXAX-UHFFFAOYSA-N 329.429 2.998 0 50 EFAA Cc1ccc(OC2CCN(C(=O)[C@H]3NCC34CCCC4)CC2)cc1 852809195 VVDKBIGAFXIHEO-GOSISDBHSA-N 328.456 2.897 0 50 EFAA Cc1nscc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 1875284620 BOCSJAKMOJVDNW-UHFFFAOYSA-N 341.433 2.743 0 50 EFAA CCOC(=O)c1cc2cc(S(=O)(=O)NC3(C)CC3)ccc2s1 1875262501 YORXXBZFZKGIFV-UHFFFAOYSA-N 339.438 2.909 0 50 EFAA Cc1nc(=NC(=O)c2cc3cscc3s2)n(-c2ccncc2)[nH]1 1875338723 IZKDIOZUWAGGEG-UHFFFAOYSA-N 341.421 2.921 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2nc3cc(F)ccc3n2CC)CC1 1875365151 QXQRHHQPGBBBGN-UHFFFAOYSA-N 344.390 2.558 0 50 EFAA Cc1ccc(OCc2ccc(C(=O)NCC3CC(N)C3)o2)c(C)c1 877317455 OFLGLUKFUONLOZ-UHFFFAOYSA-N 328.412 2.943 0 50 EFAA O=C1Nc2ccccc2CC[C@H]1n1cc(C2(O)CCCCC2)nn1 881328659 JDXOUDOUTZOFPH-OAHLLOKOSA-N 326.400 2.556 0 50 EFAA NC(=O)[C@@H]1c2ccccc2CCN1Cc1csc(C(F)(F)F)n1 891844601 HSDLMLOHHJYXSM-LBPRGKRZSA-N 341.358 2.747 0 50 EFAA Cc1cnccc1OC1CCN(c2cccc(F)c2C(N)=O)CC1 893539471 JCQPPZXYCNQDGV-UHFFFAOYSA-N 329.375 2.676 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)N[C@H]1CCOC2(CCCC2)C1 893743817 JNVLUCHQYXCSEG-HNNXBMFYSA-N 342.443 2.934 0 50 EFAA C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@@H](C)N1CC(F)(F)F 1774515896 QQBVPOASIKRKBU-PHIMTYICSA-N 340.349 2.660 0 50 EFAA COCc1cc(NC(=O)[C@@H]2OCCc3ccccc32)sc1C(=O)O 1775990830 HQKMNSBFZMQYAL-CQSZACIVSA-N 347.392 2.845 0 50 EFAA Cn1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC2CC2)cn1 1775994936 UJQMPFCWLYOTSK-IAGOWNOFSA-N 348.491 2.935 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2ncnc3sc(C)cc23)C1 1775957485 XEVAKTQSFNLGOB-CMPLNLGQSA-N 331.401 2.658 0 50 EFAA O=C(NC[C@@H]1CC[C@@H](O)C1)N[C@H](Cc1ccccn1)c1ccccc1 225589045 YMVPTURESZXBSY-ATZDWAIDSA-N 339.439 2.826 0 50 EFAA COc1cc(C(=O)OCC(=O)c2ccccc2)cc(OC)c1OC 72734 OLPYNOARXAQLHF-UHFFFAOYSA-N 330.336 2.752 0 50 EFAA Cc1cccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1O 352141 BKXSQRZARAOITK-XHDPSFHLSA-N 342.317 2.954 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc21 428695 OWXLWYWKBBJUFQ-CYBMUJFWSA-N 344.436 2.635 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)Cc2c(F)cccc2Cl)C1=O 2356151102 ROQOQFFMNJXTHL-KRWDZBQOSA-N 338.810 2.635 0 50 EFAA Cc1cc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br 2862797 PMNZDSMLSXBIDA-RYUDHWBXSA-N 342.233 2.772 0 50 EFAA O[C@H]1CCN(c2nccn3c(-c4cccc5ncccc45)cnc23)C1 2356162467 KOBCGJYUGYJAMU-ZDUSSCGKSA-N 331.379 2.516 0 50 EFAA COc1cc(CNc2c(C)c(C)nc3ccnn23)cc(OC)c1OC 2356162577 FSIKBTDLBHRZQR-UHFFFAOYSA-N 342.399 2.984 0 50 EFAA COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1OC 3237894 MSAGAXYPBYUNNA-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA COc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)c(OC)c1 4513037 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COc1ccc(CNC[C@@H](O)COc2cccc(C)c2)cc1OC 68049437 ZYIFWAXAQFMLBC-MRXNPFEDSA-N 331.412 2.542 0 50 EFAA O[C@@H]1CN(Cc2ccc(Cl)nc2)CC[C@H]1c1ccc2c(c1)OCO2 67947617 HNDSWVRTMIBZOB-LSDHHAIUSA-N 346.814 2.814 0 50 EFAA CC(C)CN1C[C@H](c2nc(C(C)C)nn2-c2ccccn2)CC1=O 65431562 NGYPMWVCTUFKTG-CQSZACIVSA-N 327.432 2.758 0 50 EFAA COc1c(F)cccc1C(=O)N1CCN(c2ncccc2C)CC1 67755903 CVUPIVZXCXLAGO-UHFFFAOYSA-N 329.375 2.500 0 50 EFAA C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 252486053 CXTQVJJFORFLIZ-MPTQWLOMSA-N 348.468 2.633 0 50 EFAA Cc1ccc2c(c1C)NC(=O)[C@@H]2CC(=O)NCc1c(C)noc1C 67712695 AEEPSGMVFKFDLB-CQSZACIVSA-N 327.384 2.650 0 50 EFAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCCS(N)(=O)=O 357557238 XAKCHUWLPUTOES-VIFPVBQESA-N 337.272 2.591 0 50 EFAA Cn1ccnc1-c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nn1 67773605 GYOOPJSRFZTYLM-KRWDZBQOSA-N 348.454 2.954 0 50 EFAA C[C@@H]1C[C@H](N2CCO[C@@H](c3ccccc3Br)C2)C(=O)O1 229368007 YNQDCRHPYOKVJL-DDTOSNHZSA-N 340.217 2.526 0 50 EFAA CC(=O)N1CCCN([C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2C)CC1 229918770 SQXKMRJLLSMVBN-HNAYVOBHSA-N 349.906 2.715 0 50 EFAA CN(C(=O)CN1CCO[C@H]2CCCC[C@H]21)c1nc2ccccc2s1 230113768 OMJAPGMVOIXOBJ-CABCVRRESA-N 345.468 2.903 0 50 EFAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CCc2ccccc21 123938113 JONYGBDBXZAWSZ-UHFFFAOYSA-N 331.441 2.661 0 50 EFAA CCOc1ccc(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)o1 71576197 SAVBUHZHLPMZKD-OAHLLOKOSA-N 333.359 2.901 0 50 EFAA Cc1c(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cnn1C 253415670 ZQFRXSDEQIRQDV-ZWKOTPCHSA-N 342.443 2.526 0 50 EFAA O=C(O)[C@H]1CN(Cc2cc3ccccc3o2)CCN(CC2CC2)C1 217625402 WSJFAWIXBLDYCK-MRXNPFEDSA-N 328.412 2.661 0 50 EFAA CCn1cnnc1[C@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 328653955 XCQKWOYMEVIKBT-CYBMUJFWSA-N 335.477 2.626 0 50 EFAA Cc1cc(Cl)ccc1CNC1CCN(c2nccn(C)c2=O)CC1 328651873 WCXOGIKFONORBD-UHFFFAOYSA-N 346.862 2.501 0 50 EFAA CN(C)C(=O)c1cccc(NC(=O)N[C@@H]2COc3ccccc32)c1 363152795 CQDKWBXRLTUZMX-OAHLLOKOSA-N 325.368 2.644 0 50 EFAA Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@H](n2cccn2)C1 364596489 UNDYRBUONTVMSW-GOSISDBHSA-N 336.395 2.662 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2O)C1 71552116 IUIZFWDZYKAELU-HNNXBMFYSA-N 340.423 2.874 0 50 EFAA O=C(N[C@H](c1nccs1)C(F)(F)F)N1C[C@H]2C[C@H](O)CC[C@H]2C1 331763634 CRSSUKLTEGUQMC-LNFKQOIKSA-N 349.378 2.549 0 50 EFAA NCC1CCN(c2cc(-c3ccccc3F)nc3ccnn23)CC1 72479160 QWJZRGKWJJYZNU-UHFFFAOYSA-N 325.391 2.711 0 50 EFAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Cc1cccc(C(=O)O)c1 262091653 COEPTPIWKKDAJG-RDJZCZTQSA-N 333.428 2.885 0 50 EFAA Cc1ccccc1-c1nc(CN2CCC[C@H](Cn3cncn3)C2)no1 128462585 SWPYKBCGRQZUNJ-HNNXBMFYSA-N 338.415 2.549 0 50 EFAA O=C(Nc1cccc(Oc2ccccn2)c1)N[C@H]1CCCCNC1=O 174517959 FOCQVDJEHSBGFI-HNNXBMFYSA-N 340.383 2.664 0 50 EFAA Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@]2(CCCOC2)C1 285879973 JDUMBGKOWZJJHZ-IBGZPJMESA-N 342.395 2.672 0 50 EFAA c1ccc2c(c1)CCOC21CCN(Cc2cn3cccnc3n2)CC1 459511442 DIHXZROBWMEZEQ-UHFFFAOYSA-N 334.423 2.793 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCCc1c(C)noc1C)C2 84809523 XTSOEQCGMUCJOP-OAHLLOKOSA-N 344.411 2.600 0 50 EFAA CO[C@@H](C)c1noc(CN2CCC(N(C)c3ccccc3)CC2)n1 177663082 KDVVPDOKXPHDKQ-AWEZNQCLSA-N 330.432 2.878 0 50 EFAA Cc1csc(SCC(=O)NC[C@@H]2COc3ccccc3C2)n1 91859487 JCXJEWJFCRASHD-GFCCVEGCSA-N 334.466 2.911 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@H](N(C)C(=O)c2cc[nH]c2C)CC1 161640444 NWAYZWBPTPQZEF-HNNXBMFYSA-N 342.443 2.727 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)Cn1c(=O)ccc2ccccc21 95518613 SMFDLLDCBHGCJU-UHFFFAOYSA-N 337.379 2.526 0 50 EFAA Cc1nn(C)c2nc(Nc3c(N4CCCC4)nn(C)c3C)sc12 96138463 AJKWTMIXXDKUGZ-UHFFFAOYSA-N 331.449 2.724 0 50 EFAA COc1ccc([C@@H](C(=O)O)N2CCC(Cn3cccn3)CC2)cc1F 95374006 BRPBYVKLBNMMJT-KRWDZBQOSA-N 347.390 2.569 0 50 EFAA Cc1cccc(Cn2nc(C)cc2NC(=O)N2CCC[C@@H]2CO)c1 97436835 UELUHLDNGWEUBK-MRXNPFEDSA-N 328.416 2.537 0 50 EFAA C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)CCO1 180122691 SQQIPMNSPXGGSI-VCBZYWHSSA-N 331.412 2.652 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CNc1cccc(Cl)c1)[C@@H]1C[C@@H]31 239235304 VTELSLBKTOSKOW-OJFNHCPVSA-N 328.799 2.763 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)C2CCN(C(=O)C3CC3)CC2)c(C)s1 91780565 FYFJMUVJDYHKPM-LLVKDONJSA-N 349.500 2.928 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3=O)cc1O 91757757 LLMUERKCYLTVCX-DLBZAZTESA-N 344.455 2.790 0 50 EFAA Cc1ccc2nc(CNC(=O)[C@@H](c3cccc(F)c3)N(C)C)[nH]c2c1 95375769 UNDQETACOQVAMR-GOSISDBHSA-N 340.402 2.930 0 50 EFAA CC(C)(C)N1C[C@@H](C(=O)NCCc2c(F)cccc2Cl)CC1=O 91326940 SHTOYGAEWNHXNT-NSHDSACASA-N 340.826 2.785 0 50 EFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)[C@H]2CC[C@@H](O)CC2)cn1 244742107 OCAPJEXUWLKEDG-FMKPAKJESA-N 343.427 2.609 0 50 EFAA CCCc1noc(CN(C)Cc2cncn2Cc2ccccc2)n1 244734755 NLJSLKHZHMLKKM-UHFFFAOYSA-N 325.416 2.899 0 50 EFAA CN(C)[C@H](CN[C@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 182086575 KHDXRSRINFFEAL-DLBZAZTESA-N 332.423 2.665 0 50 EFAA CC1(CNC(=O)c2ccc(N3CCCCCC3)nc2)CCNCC1 183346139 SKTSMXYINOUVBN-UHFFFAOYSA-N 330.476 2.582 0 50 EFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@H]3Cn3ccnn3)cc12 299742115 GYWHNLGTNUSYKB-ZDUSSCGKSA-N 327.363 2.512 0 50 EFAA CC(C)c1cc(CN[C@H](C)Cn2cnc3ccccc3c2=O)no1 534584481 OLIVIFRKCLBOGA-CYBMUJFWSA-N 326.400 2.686 0 50 EFAA Cc1cc(NC(=O)N(CCO)Cc2nccs2)n([C@H](C)C2CC2)n1 299802618 SXFXSERUZVOZAO-GFCCVEGCSA-N 349.460 2.645 0 50 EFAA Cc1cccc(-c2ccc(NC(=O)N3CCOC[C@H]3CO)cc2)c1 299758095 BKPKFHHJGSEEHS-GOSISDBHSA-N 326.396 2.887 0 50 EFAA COc1ccc2cc([C@H](C)NS(=O)(=O)N3CCCC3)ccc2c1 670454155 UIBBVIIABQDGOB-ZDUSSCGKSA-N 334.441 2.840 0 50 EFAA CCN(CC)C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565525714 JOCCSTWLOYVZED-WBVHZDCISA-N 329.444 2.685 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2C)[C@H]2CCO[C@H]21 1565506400 PODXNCTYBYERPZ-UQOMUDLDSA-N 343.345 2.794 0 50 EFAA O=C(Nc1cccc2[nH]ccc12)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 170603766 IVJJBJBQACKNTC-MRXNPFEDSA-N 337.383 2.583 0 50 EFAA COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]ncc3C2)C1 270470855 VIXDTBIUJGCATC-UONOGXRCSA-N 325.412 2.539 0 50 EFAA Cc1ccc([C@H](NC(=O)[C@H]2CCCCC(=O)N2)c2ccccn2)cc1 280625084 QOMDHFPBVXSPJS-MJGOQNOKSA-N 337.423 2.654 0 50 EFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2c(=O)o1 280665340 FUCWUMLQIKITEY-ACJLOTCBSA-N 345.420 2.578 0 50 EFAA Cc1ccc(CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1O 271459101 WXLCNSWIVLWCDU-OAHLLOKOSA-N 341.411 2.910 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2ccc(Cl)cc2n1C 275418330 DLAZWJYHPKNKOT-BBRMVZONSA-N 345.834 2.580 0 50 EFAA CCc1c(NC(=O)N2CC(N(C)C)C2)cnn1-c1ccccc1Cl 276785493 RVUQPZJOXYSSFG-UHFFFAOYSA-N 347.850 2.866 0 50 EFAA COCCc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 191888221 SBBCYPBLTNBYNX-UHFFFAOYSA-N 348.424 2.635 0 50 EFAA Cc1cc(O)nc([C@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)n1 192615380 QLOGYUWZTZYOHR-GOEBONIOSA-N 335.448 2.602 0 50 EFAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(N2CCOCC2)c(C)c1 1506401426 DHQCNDHWKSEOCP-GOSISDBHSA-N 346.471 2.863 0 50 EFAA Cc1nn(CCCNc2cc(C(=O)NC(C)C)ccn2)c(C)c1C 1506405784 NVYMWPKAJQEXTF-UHFFFAOYSA-N 329.448 2.844 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3ccccc3Cl)C[C@@H]2CC1=O 1529113634 GYLPDSULEBJQIM-QLFBSQMISA-N 334.847 2.598 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2nc(-c3ccccc3)no2)CCC1=O 1772809484 BWRGMJPUTCWZBO-HNNXBMFYSA-N 342.443 2.815 0 50 EFAA Cc1nonc1C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 12073441 PQTNJFTXIAVBFW-HNNXBMFYSA-N 335.367 2.642 0 50 EFAA CN1CCN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)CC1 12381166 MQPYEYIIKVWWLD-UHFFFAOYSA-N 331.243 2.925 0 50 EFAA NC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 12466303 KNNRXZITGQTEFH-QGZVFWFLSA-N 338.407 2.527 0 50 EFAA O=C1CCN(C(=O)C2=CCCCC2)CCN1Cc1ccccc1F 15005256 FVMPPOZXLLBEPW-UHFFFAOYSA-N 330.403 2.887 0 50 EFAA CN(Cc1ccccc1Br)C(=O)CCNc1cnccn1 110596306 FVHRHOZZQMCCSJ-UHFFFAOYSA-N 349.232 2.700 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)nn1C 421573654 JGGIJGFYLOVEFC-RMLUDKJBSA-N 339.848 2.876 0 50 EFAA Cc1nc(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c(=N)n1 631166307 SOMZTKUIJLERSY-SNVBAGLBSA-N 340.214 2.557 0 50 EFAA CCc1nc(C(C)(C)NS(=O)(=O)c2ccc(C)cc2Cl)no1 331288916 VHCIZJNYISZHKR-UHFFFAOYSA-N 343.836 2.807 0 50 EFAA O=C([C@H]1CC12CCNCC2)N1CCC(OCCc2ccccc2)CC1 237991917 SMIBENFVBDSSGV-LJQANCHMSA-N 342.483 2.626 0 50 EFAA O=C(NC1(C(=O)O)CCC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 237942937 MWZNFVGULPTMME-GHMZBOCLSA-N 343.301 2.812 0 50 EFAA CC1(C)C[C@@H](O)CCN(C(=O)Cc2cnccc2C(F)(F)F)C1 655136425 ADNOQRPBDVUHKG-LBPRGKRZSA-N 330.350 2.652 0 50 EFAA COC(=O)c1c(C)nc(O)nc1SC[C@H](OC)c1ccccc1 253535201 YTDSHYMWCHBNEL-LBPRGKRZSA-N 334.397 2.757 0 50 EFAA O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376107621 VVLFYVGGKVVPRF-CVEARBPZSA-N 325.412 2.525 0 50 EFAA O=C(O)C1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 263550838 WJMZERKJJCWRNL-LBPRGKRZSA-N 344.194 2.758 0 50 EFAA O=C(Nc1ccccc1O)C1CCN(CCCN2CCCCC2)CC1 161666434 WNYPAKAHCDRYNI-UHFFFAOYSA-N 345.487 2.919 0 50 EFAA C[C@H](NC(=O)Nc1nc2c(s1)CCCCC2)c1nnc2n1CCC2 264506777 GYCHHPGAZSJPHF-JTQLQIEISA-N 346.460 2.832 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 902013464 BNYUKTOPZOFVJI-GDBMZVCRSA-N 339.395 2.951 0 50 EFAA O=C1CC[C@H](c2ccc(OCc3nnc4n3CCCCC4)cc2)N1 902786961 NPFVCCJHXINUOZ-OAHLLOKOSA-N 326.400 2.535 0 50 EFAA CNc1ccc(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)cn1 803175328 DCZAYSXZLMVMFY-CYBMUJFWSA-N 328.391 2.613 0 50 EFAA C[C@@H](Cc1cccc(O)c1)NC(=O)C12CCC(C(=O)O)(CC1)CC2 911475295 UXXLGMVJYALQLI-MDAWKPQNSA-N 331.412 2.865 0 50 EFAA O=C(Cn1nnnc1-c1ccccc1)Nc1cnc2c(F)cccc2c1 1130907505 USOIBDNFSBHOQU-UHFFFAOYSA-N 348.341 2.666 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1 1875286943 OEYBREZMLIWQOZ-AEFFLSMTSA-N 337.427 2.772 0 50 EFAA CCc1cccc(C(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)n1 1875318604 IXTREKABWIJRNY-UHFFFAOYSA-N 327.775 2.552 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)NCC(F)(F)c1ccc(Cl)cc1 894791548 IMWCPRZIPAMWEI-CHWSQXEVSA-N 348.777 2.535 0 50 EFAA O=C(Cc1cccc(Br)c1)N1CCC[C@@H](c2cnn[nH]2)C1 1775985522 HSCKWKFLTHVXFV-GFCCVEGCSA-N 349.232 2.516 0 50 EFAA CN(Cc1cccc2cccnc12)C(=O)c1cnn([C@@H]2CCCNC2)c1 2325840792 QHUYIQYCAQXSFD-GOSISDBHSA-N 349.438 2.628 0 50 EFAA CC1CCC(CCn2nnnc2N2C[C@@H]3CC(F)(F)[C@H]3C2)CC1 2325860947 ZVZYIJXFCFCBPU-HOAMVYINSA-N 325.407 2.981 0 50 EFAA COc1cccc(CN=c2[nH]c3ccc(Br)cc3n2C)n1 2325878246 IYBNGTNDXKHFBX-UHFFFAOYSA-N 347.216 2.773 0 50 EFAA O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1 143584 UMYJOZGSKMXNIM-UHFFFAOYSA-N 335.315 2.886 0 50 EFAA O=S(=O)(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 249439 RLFYWSUZTBYMEH-UHFFFAOYSA-N 342.873 2.912 0 50 EFAA COc1ccc(Cc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 510217 BBQDACGCISZFHR-UHFFFAOYSA-N 341.436 2.650 0 50 EFAA CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 905198 UXAWEDQOIQROSP-UHFFFAOYSA-N 331.445 2.511 0 50 EFAA FC(F)(F)c1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1Cl 2356148826 VAQIZTKUBWZJJW-UHFFFAOYSA-N 332.713 2.981 0 50 EFAA COc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)c(OC)c1 2989952 NDLYMUFDNWRGNZ-UHFFFAOYSA-N 332.400 2.649 0 50 EFAA Cc1cc(C)cc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)c1 4316788 RYHXIPJYEHAGIU-UHFFFAOYSA-N 329.425 2.606 0 50 EFAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 6746342 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C[C@H](CCc1ccccc1)N1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 229311529 IPJZVRAZCRZVNL-WRWLIDTKSA-N 343.471 2.660 0 50 EFAA CC[C@H](NC(=O)c1ccc(C(=O)N(C)C)nc1C)c1ccccc1 352758492 YRCINEYSMDSTFD-INIZCTEOSA-N 325.412 2.973 0 50 EFAA Cc1c(CNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cnn1C 121139822 ORZQPKHNUGWTCE-AWEZNQCLSA-N 340.349 2.701 0 50 EFAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@H]3c1ccc2c(c1)OCCO2 65530220 KZYVXSAJXPYTQS-AWEZNQCLSA-N 349.390 2.566 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCC[C@H]3CN(C)CCO3)o2)cc1 67974897 CCVDWTSDNXQFSX-INIZCTEOSA-N 328.412 2.706 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 67111877 KGZHZVHGGIBGEY-GFCCVEGCSA-N 332.429 2.631 0 50 EFAA Cc1ccc(C2=NO[C@H](CNC(=O)Cc3c[nH]c4ncccc34)C2)cc1 282022502 AGMNIYSRJFUBNF-INIZCTEOSA-N 348.406 2.723 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cnn(C)c1 257365701 HGJGCWUSEUPFBJ-IHRRRGAJSA-N 347.850 2.583 0 50 EFAA C[C@@H](c1ccncn1)N(C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 72125343 WYMNEKBGWANMSO-PPYMECGQSA-N 348.410 2.615 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1 77340632 DKAFKZOURCZPAK-HNNXBMFYSA-N 338.455 2.948 0 50 EFAA CCn1ncc2c1CCC[C@H]2NC(=O)C[C@H](O)c1cccc(F)c1 362273022 MJLUJOXWTZVTHS-WBVHZDCISA-N 331.391 2.659 0 50 EFAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC2(CCCO2)CC1 71753214 ZRMVIOOCLDMYRY-UHFFFAOYSA-N 344.459 2.561 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CCC[C@H]3C(=O)O)s2)cc1 237486236 FDCJWNOXXBFLPM-LBPRGKRZSA-N 332.381 2.508 0 50 EFAA CCOc1ccccc1CN1CCN(C(=O)NC2CCCC2)CC1 13328278 KVBNFEFWTJRTBI-UHFFFAOYSA-N 331.460 2.855 0 50 EFAA CN1C(=O)C[C@@H](CN[C@H]2CCCc3nn(C)cc32)[C@@H]1c1ccccc1 373832960 QZVLITRVXJZGJX-KNBMTAEXSA-N 338.455 2.607 0 50 EFAA CC(C)c1cc(N2CCC(C(=O)N3CCCC3)CC2)n2nccc2n1 72152641 HZCGBJDBSFBHKF-UHFFFAOYSA-N 341.459 2.692 0 50 EFAA Cc1nc(C)n(-c2ccccc2NC(=O)NCCc2ccccn2)n1 159172654 GIKHNGSKOSCUMA-UHFFFAOYSA-N 336.399 2.643 0 50 EFAA Cc1ccccc1CNC(=O)CN1CCCC[C@H]1CCn1cccn1 77391671 PRBOYQODQVQCLC-IBGZPJMESA-N 340.471 2.753 0 50 EFAA COC(=O)c1ccsc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 17070862 QIEBPZRXOWYLGO-RYUDHWBXSA-N 337.397 2.920 0 50 EFAA NC(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 175974022 OXVAZATXXQHCSA-MOPGFXCFSA-N 349.434 2.704 0 50 EFAA O=C(CCn1cc(Cl)cn1)N1CCCN(C2CCCCC2)CC1 82096314 FEBBHQLMXQZNIZ-UHFFFAOYSA-N 338.883 2.794 0 50 EFAA CC[C@@H](C)Oc1ccccc1NC(=O)NCCN1CCCOC1=O 426420057 VQPNOBORVWKVCC-CYBMUJFWSA-N 335.404 2.828 0 50 EFAA C[C@@H]1CN(C)c2ccccc2CN1Cc1noc(C2CCOCC2)n1 177398683 YAFKAVARVCLSBO-CQSZACIVSA-N 342.443 2.804 0 50 EFAA CCOC(=O)[C@H]1CCCN(Cc2nc(N)c3ccc(Cl)cc3n2)C1 19782541 YDZURXFKRIKSGZ-NSHDSACASA-N 348.834 2.641 0 50 EFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C(C)(C)C)CC1 82134111 NNYPGWORHGWOLO-UHFFFAOYSA-N 347.507 2.646 0 50 EFAA Cc1nnsc1CNC(=O)Nc1ccnn1C[C@H]1CC=CCC1 97568963 JHJMZLADWGCHIP-LBPRGKRZSA-N 332.433 2.721 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)NCCCOc2cccnc2)c1 426527663 DYWOCEGNOKWPKQ-UHFFFAOYSA-N 328.416 2.704 0 50 EFAA O=C(NCc1cc(-c2ccccn2)no1)[C@@H]1COc2ccccc2C1 91655887 FFBPBGNEHTYFNZ-AWEZNQCLSA-N 335.363 2.604 0 50 EFAA CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239159684 MPGBRPAZRZFXGY-BSXFFOKHSA-N 347.798 2.578 0 50 EFAA O=C(c1ccccn1)N1CCC(c2nccn2Cc2ccncc2)CC1 95502647 LSQJOVIVHKKGFV-UHFFFAOYSA-N 347.422 2.741 0 50 EFAA CSCc1nc(CNC(=O)c2cc(C)n3nc(C)cc3n2)cs1 97797411 PBDGMUHKESKXLL-UHFFFAOYSA-N 347.469 2.596 0 50 EFAA Cc1nccn1Cc1nnc(C2CCN(CCC(C)(C)C)CC2)n1C 91416694 BWEZMOWOSZPVLP-UHFFFAOYSA-N 344.507 2.984 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C)c(F)c1)C2 91986610 OEZOFGJUMYPOJA-HUUCEWRRSA-N 340.464 2.629 0 50 EFAA O=C(CC1CCOCC1)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 181892194 IHBXGTXDXHWRDY-CQSZACIVSA-N 329.755 2.538 0 50 EFAA Nc1nc(N2CCC3(C=Cc4ccccc43)CC2)cc([C@H]2C[C@@H](O)C2)n1 244719026 LVKSVFBTJOMTAQ-IYBDPMFKSA-N 348.450 2.862 0 50 EFAA O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(F)cn1 182906051 YFSDXJDGKUOLMZ-UHFFFAOYSA-N 328.322 2.518 0 50 EFAA O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCCC[C@H]1c1cn[nH]c1 183467142 BJCPLBBLMNJOLN-HOTGVXAUSA-N 348.447 2.722 0 50 EFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1ccc(F)cc1Cl 252527715 DESGEXXIBPNLMT-SUYBPPKGSA-N 348.805 2.986 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[C@](C)(C(=O)O)C2)cc1 299746667 YZJXTOFRBBDYKN-BXWFABGCSA-N 331.412 2.786 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 299741876 HLZPDHDBJJHHAW-NHYWBVRUSA-N 337.803 2.747 0 50 EFAA CCc1ccc(CN(CCOC)C(=O)[C@@H]2CC23CCNCC3)cc1 534647946 LVWUVXMTTYWJEO-SFHVURJKSA-N 330.472 2.614 0 50 EFAA O=S(=O)(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)C1CC1 534590686 LDXJIQKVGJYPAO-INIZCTEOSA-N 342.892 2.949 0 50 EFAA CN(C1CCC1)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 185155200 KPRYSRBVLRCSCK-UHFFFAOYSA-N 337.319 2.577 0 50 EFAA CC(C)c1cc(CN(C)C(=O)Nc2ccc3c(c2)nnn3C)no1 299780322 PTXLPOOBADAAQV-UHFFFAOYSA-N 328.376 2.744 0 50 EFAA O=C1NCC2(CCN(C(=O)c3cccc(-c4nccs4)c3)CC2)O1 299796911 PBKPLIKYBHZENV-UHFFFAOYSA-N 343.408 2.525 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)CCc1scnc1C 824731938 DRGUDFQTIAORHH-UHFFFAOYSA-N 343.412 2.612 0 50 EFAA CCOC(=O)N1CC[C@H](NCc2nc3ccccc3n2C(C)C)C1 584898210 JTQGIPQWNHGFAF-AWEZNQCLSA-N 330.432 2.938 0 50 EFAA O=C(Cn1c(C2CC2)nc2ccccc21)NCCc1nccs1 584898144 KNXMBVJQTYHWAD-UHFFFAOYSA-N 326.425 2.729 0 50 EFAA CC1=C(C(=O)N(C/C=C/c2ccccc2)C[C@@H]2CCCO2)OCCO1 952989143 QCIPBHHXASHQGV-YXOJNZSOSA-N 343.423 2.986 0 50 EFAA C[C@H](C1CC1)N(C(=O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1)C1CC1 221814082 DQRYEPKRFOENEZ-XNRPHZJLSA-N 333.476 2.796 0 50 EFAA CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](COCC)C(C)C 170608894 UTEUMERLLRWSNP-MSOLQXFVSA-N 348.487 2.691 0 50 EFAA CC(C)(C)[C@@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CCO1 279736627 KCTHHJBNLREGKV-INIZCTEOSA-N 348.468 2.812 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3nc4ccccc4n3C)cc2c1 188908256 UYRWZLPOMHXGNR-UHFFFAOYSA-N 334.379 2.993 0 50 EFAA CN(C)c1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cc1F 652051867 UETHJQOJKSFOJB-LBPRGKRZSA-N 336.388 2.899 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)N2CCOc3cc(O)ccc3C2)c1C 672243190 GKAZIHVUFDLQPT-GFCCVEGCSA-N 329.400 2.903 0 50 EFAA CC(C)C(CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C 793584925 RZWMZHQYJFOZSP-SFHVURJKSA-N 337.552 2.933 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCCN(Cc2ccoc2)CC1 1529104024 KEYZYUXPPYPRCS-UHFFFAOYSA-N 331.416 2.552 0 50 EFAA O=C(O)c1coc(CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 1529112890 UTYRQSGBINVIGP-UHFFFAOYSA-N 344.346 2.768 0 50 EFAA COc1ccc(NC(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1 1772811896 ALPZMCSSTCUXLH-UHFFFAOYSA-N 341.411 2.805 0 50 EFAA CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O 5639198 QUOGRGMWDHAAQO-UFEDKWCJSA-N 331.412 2.546 0 50 EFAA biogenic O=C(CCN1CCCCC1=O)N[C@H]1CCCN(CC2CCCCC2)C1 11998875 WQAUBGYZMVBFID-SFHVURJKSA-N 349.519 2.550 0 50 EFAA CC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccccc2)c2ccccc21 12364184 CPIVMFIUJZIKRR-SFHVURJKSA-N 338.388 2.513 0 50 EFAA CCOc1cccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc12 16650765 AQDXGUZVIVAYMK-UHFFFAOYSA-N 325.372 2.781 0 50 EFAA c1ccc(CN2CCC(N3CCC[C@H](N4CCCC4)C3)CC2)nc1 19771314 QSULKUWQBJYFRH-FQEVSTJZSA-N 328.504 2.606 0 50 EFAA Cc1ccc2ncnc(N3CCC[C@@H](C(=O)c4ccccn4)C3)c2n1 1857667035 INTQRIUJEKJWIE-CQSZACIVSA-N 333.395 2.828 0 50 EFAA O=C(O)[C@H]1CN(Cc2cccc3cnccc23)CC12CCOCC2 1857694393 AEEGKNFGDWFFHC-QGZVFWFLSA-N 326.396 2.548 0 50 EFAA Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc(C(F)(F)F)ccc2n1 1875245506 CMFJJWQPURLDOP-BZNIZROVSA-N 340.345 2.742 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2ccc3ncccc3c2)CCO1 328625736 KYLNJRHMHICVLE-QAPCUYQASA-N 336.395 2.618 0 50 EFAA COC(=O)[C@@H]1CCCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1 125336334 JLDOYMGWDDBUIH-AWEZNQCLSA-N 348.399 2.656 0 50 EFAA O=C(NC[C@H]1CCCS1)[C@H]1CCCN(C(=O)c2ccccc2)C1 131834982 WQQNBZRMNBFNML-JKSUJKDBSA-N 332.469 2.551 0 50 EFAA CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H]1CCc2cc(C)ccc2C1=O 248336500 OOKPSYFHOOGFIE-BZUAXINKSA-N 344.407 2.871 0 50 EFAA CC[C@@](NC(=O)[C@@H](C)n1cccn1)(C(=O)O)c1ccc(Cl)cc1 262267326 YCMWVPSMJSAJPB-BZNIZROVSA-N 335.791 2.604 0 50 EFAA CN1Cc2ccccc2[C@@H](NC(=O)c2occc2Br)C1 378283487 YNPLWDOQDRTCLN-ZDUSSCGKSA-N 335.201 2.959 0 50 EFAA 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0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)Nc1[nH]nc(C)c1C 128904467 VPLWEUSVAZDXIQ-UHFFFAOYSA-N 344.234 2.898 0 50 EFAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNCc3ccc(OC(C)C)cc3)C2)n[nH]1 888076181 FILRPPOEALGPPZ-LZLYRXPVSA-N 344.459 2.545 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cc4ccccc4o3)C2)n1 888077237 VQCCTJVEOODFQW-SFHVURJKSA-N 327.384 2.694 0 50 EFAA Cn1ccc(-c2cc(C(=O)N3CC[C@@H](Cc4nccs4)C3)n[nH]2)c1 890212467 KOAOPAHBDZDGPK-LBPRGKRZSA-N 341.440 2.577 0 50 EFAA C=Cc1ccc(CCNC(=O)N[C@H]2CCOC23CCOCC3)cc1 894996656 NSYGVVBBRZOWQQ-KRWDZBQOSA-N 330.428 2.509 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)CCCn3ccnc3C)C2)[nH]c1C 1775994018 PEKBJZVCDSQULU-MRXNPFEDSA-N 329.448 2.718 0 50 EFAA Cc1cc(COCC(=O)N2c3ccccc3N(C)CC[C@@H]2C)no1 1775994472 QZHBJTWTAOWBDW-ZDUSSCGKSA-N 329.400 2.761 0 50 EFAA CN(Cc1cc2ccccc2[nH]1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1776002571 WDJLAQUVWLZJGA-HNNXBMFYSA-N 339.439 2.917 0 50 EFAA Cc1cc(=NCc2cc3cc(Br)cc(C)c3[nH]2)[nH]c(=N)[nH]1 2325858896 GAVZYEQDPWMCMJ-UHFFFAOYSA-N 346.232 2.784 0 50 EFAA 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EFAA Cn1ncc2c(O)nc(N3CCc4oc(-c5ccccc5)cc4C3)nc21 1875341423 SINSUNDOZHUEBD-UHFFFAOYSA-N 347.378 2.892 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CO1)N[C@@H]1CC[C@H](OC(F)F)C1 888100022 XKNXYLOZVAQAIY-ILXRZTDVSA-N 340.370 2.587 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1ccnn1C1CCC1)CO2 890350312 CMRXXGWBYSFQEE-ZDUSSCGKSA-N 327.384 2.807 0 50 EFAA CCc1csc([C@@H]2CCCN(c3ccnc(C(=O)NC)c3)C2)n1 892191129 HBIQKUUFANQLPY-GFCCVEGCSA-N 330.457 2.844 0 50 EFAA Cc1cccc([C@@H]2CCCN2c2nnnn2C2CCOCC2)c1C 1771939935 FTDYHIFKJGJPIJ-KRWDZBQOSA-N 327.432 2.983 0 50 EFAA CS[C@@H]1CN(c2cc(=O)n(C)c3ccccc23)C[C@H]1N1CCCC1 2325802680 UHEXCMWJKALMRF-QZTJIDSGSA-N 343.496 2.555 0 50 EFAA CCC(O)(CC)C(C)(C)CNC(=O)[C@H](C)N1CSCCSC1 1453228124 QFWLWFLUNCKOSB-ZDUSSCGKSA-N 348.578 2.765 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 342117 BOXVKLXNWUWHBD-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA CCn1ncc(NC(=O)Nc2ccc(Cl)cc2Cl)c1C(N)=O 612347 XWPMYFQRIKFCSK-UHFFFAOYSA-N 342.186 2.953 0 50 EFAA CCCC[C@@]1(C(=O)OCC)C[C@@](C)(c2csc(N)n2)OC1=O 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COc1ccc(OC)c2c1CN(CCc1csc(C)n1)C[C@@H]2O 119152193 FUGCYYIYQJELCR-AWEZNQCLSA-N 334.441 2.560 0 50 EFAA CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 352263902 PZWMQRTZLLYRSA-JFILPPLUSA-N 338.835 2.652 0 50 EFAA CC(=O)c1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)nn1 119540661 PKIVYHYHACOEKC-UHFFFAOYSA-N 338.342 2.920 0 50 EFAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1cnn2ccncc12 357362367 HJAMHWGDBJJRCC-UHFFFAOYSA-N 331.339 2.515 0 50 EFAA Cc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@H](c2ccccc2)C2CC2)c1 252506060 OQSIEYDRUNNMPU-RZQQEMMASA-N 340.471 2.998 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NC[C@H](c1ccco1)N1CCCC1 229905976 RGSJGYKRYNIYGH-ABFRBSLYSA-N 347.459 2.529 0 50 EFAA CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)CCC1=O 216505214 HJTPPJSPVRLWNP-UHFFFAOYSA-N 338.451 2.972 0 50 EFAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1csnn1 32497964 HOFKFPFEYPLOAJ-AWEZNQCLSA-N 336.848 2.758 0 50 EFAA Cc1cccc2[nH]c(C3CCN(Cc4cn[nH]c4C(=O)O)CC3)nc12 71762004 OCZJDLHGPHBDMG-UHFFFAOYSA-N 339.399 2.672 0 50 EFAA CCOc1ccc(CN2CCC(N3CCC[C@@H]3C(=O)O)CC2)cc1 324785893 JWSNKTOYCGSBGL-GOSISDBHSA-N 332.444 2.599 0 50 EFAA C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282073922 QQUFMLSTMWJPKZ-KBRIMQKVSA-N 333.453 2.514 0 50 EFAA CN1CCC(N2CCC[C@@H](C(=O)NC3(c4ccccc4)CC3)C2)CC1 71749644 JGFIOEXCDSDMTG-QGZVFWFLSA-N 341.499 2.598 0 50 EFAA CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc3oc(C)nc23)C1 253420981 ODZFEODFAASRNI-ZDUSSCGKSA-N 339.399 2.767 0 50 EFAA Cc1cnc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)o1 328626634 FHRZFIQXDIBQEQ-NSHDSACASA-N 328.338 2.893 0 50 EFAA C[C@@]1(c2ccc(-c3noc(-c4ccsc4)n3)cc2)NC(=O)NC1=O 253419580 PWQSVLUBLZJKIR-INIZCTEOSA-N 340.364 2.520 0 50 EFAA C[C@@H](NC(=O)c1cccc(C(=O)O)n1)c1cccc(OC(F)F)c1 362491970 HPCMZHMMYNILPR-SECBINFHSA-N 336.294 2.872 0 50 EFAA O=C(CNC(=O)c1cccs1)Nc1n[nH]c2c(Cl)cccc12 154217742 FGWWOFAZFSACLG-UHFFFAOYSA-N 334.788 2.646 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)NCCC(=O)N2CCCCCC2)no1 363159613 QXBDDFDUBRPZQO-MRXNPFEDSA-N 348.447 2.622 0 50 EFAA CN1CCc2nc(-c3ccncc3)nc(NCCc3ccco3)c2CC1 72419444 FZLNJNUWTPGTNE-UHFFFAOYSA-N 349.438 2.817 0 50 EFAA CC(C)[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ncnn1C 72475236 UVJKYJPQCZBHPD-INIZCTEOSA-N 344.459 2.646 0 50 EFAA Cc1cc2n(n1)CCN(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)C2 72410046 XOBXYIOUDNOLRJ-UHFFFAOYSA-N 349.438 2.579 0 50 EFAA COCCN(Cc1nccs1)C(=O)c1cccc(-n2cccn2)c1 77387194 SFWZSJKRDRMQQT-UHFFFAOYSA-N 342.424 2.618 0 50 EFAA COC(=O)N1CCC(NC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 239782431 CONHCNLKCLFHKE-UVBSCNOISA-N 337.464 2.731 0 50 EFAA Cc1nnc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)o1 77339881 APLAMINHXAYOMB-GOSISDBHSA-N 334.464 2.629 0 50 EFAA O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1cccc(CN2CCCCCC2)c1 219667883 AHFOEFYHNARGLQ-QRVBRYPASA-N 328.456 2.970 0 50 EFAA C[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)c1nccn1C 375305266 ZLHITDDNMWGTAH-HNNXBMFYSA-N 328.460 2.744 0 50 EFAA CN1CCC(N(CCc2ccccc2)C(=O)[C@H]2CCCNCC2)CC1 72426566 ZEKFKLFUIAXHLS-IBGZPJMESA-N 343.515 2.542 0 50 EFAA Cn1ccnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1=O 242183927 XDBILSICFIQGHV-CYBMUJFWSA-N 340.210 2.665 0 50 EFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(Cl)c(F)c1 237937291 GFIYJGCHAJTQIN-MFKMUULPSA-N 329.755 2.680 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2cnn3ccccc23)CCCN1CC1CC1 71614032 CNEYLKUYXJXKPO-IBGZPJMESA-N 340.471 2.917 0 50 EFAA Cn1cc(N2CC[C@@H](Nc3cccc(Oc4ccccn4)c3)C2=O)cn1 174351516 APUMZECXRRVXIR-QGZVFWFLSA-N 349.394 2.825 0 50 EFAA Cc1nc(Cl)ccc1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 378277131 KXIYVQYPHFCBRE-AWEZNQCLSA-N 334.807 2.600 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ncccc2O)CC1 174510046 FRTCRBDOBCDLBY-ZDUSSCGKSA-N 345.830 2.960 0 50 EFAA Cc1nc(CS(=O)(=O)N(C2CC2)[C@H]2CCCc3ccccc32)no1 1364798994 VBOCQGBGFILQNT-INIZCTEOSA-N 347.440 2.750 0 50 EFAA CCOc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1OCC 286739584 CCRFGCCFSJLSKH-QGZVFWFLSA-N 346.471 2.928 0 50 EFAA O=C(C1CCOCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 82156546 FNXLQQKDUWIISL-CQSZACIVSA-N 327.428 2.771 0 50 EFAA COc1ccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1 221039857 AYYGDDNJPIPCPO-HIFRSBDPSA-N 335.400 2.948 0 50 EFAA COc1ccccc1N1CCC(NC(=O)Cc2ccc(O)cc2)CC1 177321338 XZGHRBQLZBVWFN-UHFFFAOYSA-N 340.423 2.729 0 50 EFAA Cc1nc2ccc(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)cc2o1 426518900 CUCFYCPNLHWKGL-MRXNPFEDSA-N 343.427 2.509 0 50 EFAA O=C(CSC[C@@H]1CCCN2CCCC[C@H]12)NCCc1ccccn1 334161092 SUUHDEJURSMEOQ-FUHWJXTLSA-N 347.528 2.738 0 50 EFAA CC(C)Oc1cc(-c2cc(OC(F)(F)F)ccc2O)nc(N)n1 426533820 SBSVQWVLRNMMQN-UHFFFAOYSA-N 329.278 3.117 0 50 EFAA CCOc1cc2c(cc1-c1cn([C@H]3CC(=O)N(CC)C3)nn1)CCC2 92028362 JLCFHKXJXMXONP-HNNXBMFYSA-N 340.427 2.626 0 50 EFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NC1CCN(C(C)C)CC1 239305917 GEKCSFJGUNETEM-XYVMCAHJSA-N 348.487 2.669 0 50 EFAA CNC(=O)c1cc(C)ccc1OC1CCN(Cc2ccncc2)CC1 95513339 YUCAGEDEFUVTBP-UHFFFAOYSA-N 339.439 2.793 0 50 EFAA Cc1nc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)c(C)s1 97529104 QDSCWHMZDBDQEI-MRXNPFEDSA-N 339.424 2.666 0 50 EFAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc2cccc(Cl)c2n1 97515074 HCSBWVQWNDUDMJ-HNNXBMFYSA-N 342.786 2.623 0 50 EFAA c1[nH]nc(C2CCCCC2)c1CN1CCC[C@H](N2CCOCC2)C1 22926641 BWPWUVGEPLSJLD-SFHVURJKSA-N 332.492 2.754 0 50 EFAA O=C(NC[C@@H](CO)Cc1ccsc1)c1c[nH]nc1-c1ccccc1 96161714 PEPCBFBNXNPXLO-AWEZNQCLSA-N 341.436 2.719 0 50 EFAA O=C(c1cccnc1)[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 92037761 YQGDJOTZWKGXDJ-LBPRGKRZSA-N 336.317 2.990 0 50 EFAA CCSc1ncc(-c2cn(Cc3cnn(C(C)C)c3)nn2)cn1 91770147 AKIDWHCRDYTQIB-UHFFFAOYSA-N 329.433 2.673 0 50 EFAA CCc1ncc(C(=O)NCc2ccccc2OC(F)(F)F)cn1 97137188 MIYAGJOJFNLSAT-UHFFFAOYSA-N 325.290 2.868 0 50 EFAA Cc1cc(C)cc(N2CCN(CCc3csc(C)n3)CC2=O)c1 243902078 BFTZWDNIGAXFCN-UHFFFAOYSA-N 329.469 2.960 0 50 EFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N(C)Cc2c(C)noc2C)c1C 244673843 HWPCCZKYYJKCCS-JTQLQIEISA-N 346.431 2.917 0 50 EFAA Cc1cc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)nn1C(C)(C)C 183717536 CRQNELJVNOEFLD-UHFFFAOYSA-N 338.415 2.994 0 50 EFAA C[C@H](C(=O)Nc1nncs1)N1CCC(OCc2ccccc2)CC1 252483958 FLIPRTHICBMGRO-CYBMUJFWSA-N 346.456 2.546 0 50 EFAA CC(C)Cn1cncc1CNC(=O)N(C)C[C@@H]1Cc2ccccc2O1 534639237 BFAYPKXIIGLDNC-KRWDZBQOSA-N 342.443 2.684 0 50 EFAA CCCNC(=O)C1CCN(c2cncc(OCC3CCCC3)n2)CC1 185150967 MKOIZVLSHGEMNQ-UHFFFAOYSA-N 346.475 2.788 0 50 EFAA CCNC(=O)c1cccc(NC(=O)c2ccc3nccnc3c2)c1C 823128848 SJGVPADVSJHMJH-UHFFFAOYSA-N 334.379 2.940 0 50 EFAA Cc1ccc2c(=O)n(Cc3cnn(Cc4ccccc4)c3)cnc2c1 584895391 VGJVGCVWNZYDKV-UHFFFAOYSA-N 330.391 2.998 0 50 EFAA CC[C@@H](C)Cc1nc(CCc2nc3ccc(F)cc3[nH]2)n(CCO)n1 670457947 BNGOTFLLOIEQSF-GFCCVEGCSA-N 345.422 2.660 0 50 EFAA CC(C)c1csc(CN2CCC[C@H](CN3CCN(C)CC3)C2)n1 952983871 XMGZEEGYMSXZKN-MRXNPFEDSA-N 336.549 2.726 0 50 EFAA O=C(O)C1CCN(C[C@H]2CC[C@@H](Cc3ccc(Cl)cn3)O2)CC1 952854455 INYYRRVGOWEBFX-JKSUJKDBSA-N 338.835 2.622 0 50 EFAA O=C(Cc1ccccc1F)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565515386 ZNZOFLUPUKJVMU-OALUTQOASA-N 343.398 2.859 0 50 EFAA O=C(c1cccs1)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 1565514743 NUGOKWUBMSWQBS-UGSOOPFHSA-N 348.468 2.539 0 50 EFAA CN(CC(=O)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)[C@@H]1CCSC1 222038326 ASIYPAFSCHBESC-NOCIGQNYSA-N 330.497 2.516 0 50 EFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 269101934 DPOBMZKRERTQQU-MRZGDXHCSA-N 337.261 2.920 0 50 EFAA Cn1cnc(-c2ccc(OC(=O)c3ccc4c(c3)ncn4C)cc2)n1 170605108 GRCZPFITCVRPSM-UHFFFAOYSA-N 333.351 2.588 0 50 EFAA OC1(C(F)(F)F)CCN(Cc2ccc(Br)o2)CC1 170611889 QFBZMQRNDZOKCL-UHFFFAOYSA-N 328.128 2.931 0 50 EFAA CCC(CC)C(=O)N1CCN(c2ccnc(-c3nccs3)n2)CC1 631055500 USLSSUVHRWXMNB-UHFFFAOYSA-N 345.472 2.685 0 50 EFAA Cc1cnn([C@@H]2CCN(C(=O)c3ccc(C)c(-c4cnn(C)c4)c3)C2)c1 633147357 ALIOCQMFRHSTOR-GOSISDBHSA-N 349.438 2.988 0 50 EFAA CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H]1C[C@H](F)CN1 638944743 XGEXWUPQWSJMPH-ZWKOTPCHSA-N 342.414 2.924 0 50 EFAA C[C@@H](CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)C1CC1)C(=O)O 192908052 QKVFKMXUBFOBLN-ZDUSSCGKSA-N 343.423 2.850 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N[C@H]1CCN(c2ccccc2)C1 195572556 DLWQVYNCIXXYRT-GJZGRUSLSA-N 340.427 2.729 0 50 EFAA CO[C@@H](CS(=O)(=O)Nc1ccc(C(=O)O)cc1C)C1CCCC1 656615378 HBKFAHXZFIWQII-HNNXBMFYSA-N 341.429 2.640 0 50 EFAA Cc1cc(=NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc[nH]1 669501961 JKOLNLVHOJGJIB-UHFFFAOYSA-N 339.395 2.922 0 50 EFAA Cc1cc(COCC(=O)N2CCCCC[C@H]2c2cccn2C)on1 669893914 JTOZAOPQZHEWGJ-KRWDZBQOSA-N 331.416 2.982 0 50 EFAA CNc1ncc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cn1 1529178163 JQRUGYWQYGFJBR-SJORKVTESA-N 340.427 2.757 0 50 EFAA CSCCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](NC(=O)C2CC2)C1 219993249 MJCACXTYBDLPEL-SJORKVTESA-N 346.496 2.569 0 50 EFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(CCCn2cccn2)C1 12458318 NAJLLUPPFVQDIC-MRXNPFEDSA-N 341.411 2.597 0 50 EFAA COc1cccc(Nc2nc(N)nc(CN3CCCC[C@H]3C)n2)c1 13639059 VEVPIZVCWVKVQM-GFCCVEGCSA-N 328.420 2.580 0 50 EFAA Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccco3)CC2)cc1 16605527 VEUWCJSYVRKXCM-MRXNPFEDSA-N 328.412 2.700 0 50 EFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cc(F)c[nH]1 1857527803 RQOXOYNLSROELL-GXTWGEPZSA-N 347.394 2.645 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccccc1C(F)(F)F)C2 1857667990 JJBIEKSSWMADJI-HNNXBMFYSA-N 342.317 2.762 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCc2nn(C)cc21 225763247 CNENNESLNKCONY-BMIGLBTASA-N 335.354 2.659 0 50 EFAA COc1cccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)c1OC 328639710 XAAFNPGWMCVDLR-MRXNPFEDSA-N 347.415 2.653 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnn1-c1cccc(Cl)c1 237746143 TZLOKJVWNPNNSR-GFCCVEGCSA-N 347.802 2.771 0 50 EFAA COc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCOCC2)cc1F 451437724 OXZPWEIVJNRZFX-LLVKDONJSA-N 329.318 2.611 0 50 EFAA C[C@H](COc1cccc(F)c1)NC(=O)c1cc2c(cn1)OCCC2 359747811 XFHGPEGGUYZVKD-GFCCVEGCSA-N 330.359 2.743 0 50 EFAA CC(C)(CNC(=O)c1cnc(C(=O)O)cn1)c1ccccc1Cl 263314564 YOBIMYKTRPSVKM-UHFFFAOYSA-N 333.775 2.536 0 50 EFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1cccc(OCC(F)(F)F)c1 906096121 BHBKVIBWAPURHR-GFCCVEGCSA-N 330.306 2.577 0 50 EFAA C[C@H]1CN(C(=O)c2ccc3c(n2)OCCO3)c2cc(F)c(F)cc2O1 906232590 LIIXCMONTMYYTE-VIFPVBQESA-N 348.305 2.559 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCc1nc(C(C)C)ns1 933800996 GVDOLPNJAJWJCZ-IUODEOHRSA-N 335.477 2.632 0 50 EFAA CO[C@@]1(C(=O)O)CCN(Cc2csc(-c3ccc(C)cc3)n2)C1 863473211 DZGZUJSGLOBQNF-KRWDZBQOSA-N 332.425 2.794 0 50 EFAA C[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cccc(C(=O)O)c2)C1 874404622 LUIDLDIMSDMMSB-CQSZACIVSA-N 330.306 2.869 0 50 EFAA Cc1ccc(N[C@@H](C)C2(O)CCOCC2)cc1C(=O)N1CCCCC1 1875285476 OIDHRIRAJFVHJL-INIZCTEOSA-N 346.471 2.963 0 50 EFAA C[C@@H](Nc1[nH]c(=N)nc2c1ncn2C)c1cccc(C(F)(F)F)c1 1875320941 OLXQMLFHFHFGFJ-MRVPVSSYSA-N 336.321 2.968 0 50 EFAA CO[C@@H]1CC[C@@H](c2nc(-c3ncc[nH]3)nn2-c2nc3ccccc3[nH]2)C1 1875335826 IQRLNBDIWGYOTG-VXGBXAGGSA-N 349.398 2.816 0 50 EFAA Cc1ccccc1-c1nc(CN2Cc3nc(O)nc(O)c3C2)c(C)o1 1875300626 KXQDVAONQXEDQB-UHFFFAOYSA-N 338.367 2.675 0 50 EFAA CCN1CCO[C@@H](C(=O)Nc2nc3ccc4scnc4c3s2)C1 888297402 BMEQKWIAJAYUKR-SNVBAGLBSA-N 348.453 2.565 0 50 EFAA CCCNC(=O)C1CCN(Cc2cn(C)nc2C2CCCC2)CC1 891561605 MMSCJBBPTYXGET-UHFFFAOYSA-N 332.492 2.816 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2csc3ccccc23)o1 1775959325 WCCVCSLWVMZBKW-ZWNOBZJWSA-N 343.408 2.795 0 50 EFAA Fc1cc(Cl)cnc1N1CCCN(C[C@@H]2CCCOC2)CC1 1776008183 LUPGEVZQNJAXQY-ZDUSSCGKSA-N 327.831 2.813 0 50 EFAA CN(Cc1ccccc1)C1CCN(Cc2ncccc2C(=O)O)CC1 65453455 OSFHMUGHTRORDD-UHFFFAOYSA-N 339.439 2.876 0 50 EFAA CCc1nc(CCNC(=O)[C@@H]2CCCc3c2ncn3C)sc1C 2325779670 WZABEAPPPYRHAH-GFCCVEGCSA-N 332.473 2.526 0 50 EFAA C[C@@H](N)[C@@H](NC(=O)c1cnn2cccnc12)c1ccc2ccccc2c1 2325862938 OFCGJWOXTXOZLE-FZKQIMNGSA-N 345.406 2.701 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(-c2cccnc2)no1 2325875499 UNFCCAHZCINZCM-UHFFFAOYSA-N 332.323 2.774 0 50 EFAA COc1cc2c(cc1CN[C@@H](c1nccn1C)C1CC1)O[C@H](C)C2 127560302 JMVJGYOMEVMVES-KZULUSFZSA-N 327.428 2.993 0 50 EFAA CCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 355989 OOMIKGNRTURUCF-UHFFFAOYSA-N 333.413 2.804 0 50 EFAA CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 479902 ATAZQIAWPYSIFW-UHFFFAOYSA-N 349.408 2.697 0 50 EFAA COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 514347 LCHBHOKMVLILAZ-MRXNPFEDSA-N 340.423 2.811 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 816431 KWHMQRKEAOZOMG-UHFFFAOYSA-N 344.436 2.850 0 50 EFAA Cc1ccc(C)c(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c1 2356146081 QJSLOVNCSKNUCW-FQEVSTJZSA-N 336.439 2.626 0 50 EFAA CN1C[C@H]2C[C@@H](N(C)Cc3ccnn3-c3ccccc3)C[C@H]2CC1=O 2356166107 ORHSHMFMECWYBV-FCEWJHQRSA-N 338.455 2.561 0 50 EFAA COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)C[C@H]1C 4488720 SOUPFDNQACDAQX-QMTHXVAHSA-N 347.411 2.977 0 50 EFAA O=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 4512002 DRAYOYSWBFVMQI-UHFFFAOYSA-N 334.162 2.981 0 50 EFAA Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1 245854146 NTDOWJSYGKRERU-MSOLQXFVSA-N 329.444 2.614 0 50 EFAA Cc1cc(I)ccc1OCCn1ccnc1 4842447 UCVBYEVDCMJZTM-UHFFFAOYSA-N 328.153 2.875 0 50 EFAA CCOc1ccc([C@H](C)NS(=O)(=O)c2cnn(CC)c2C)cc1 6725343 JNMNMKJSJCDKOH-LBPRGKRZSA-N 337.445 2.650 0 50 EFAA CN1CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1 6745855 PQWKBPORVFIWIE-UHFFFAOYSA-N 340.423 2.532 0 50 EFAA COc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)ccc1OC1CCN(C)CC1 101980711 YZCDKZQHTJGZRV-HOCLYGCPSA-N 344.455 2.793 0 50 EFAA O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843366 KRHLIRQSKQGLJH-AWEZNQCLSA-N 330.359 2.587 0 50 EFAA CCCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55195975 ABYSDIPZDACBNP-INIZCTEOSA-N 333.451 2.739 0 50 EFAA CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F 20251848 XMPVRRHIAZCJKA-GFCCVEGCSA-N 330.359 2.981 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1noc(-c2ccccc2)n1 65387023 AKOQOHQEWBIUEY-CYBMUJFWSA-N 328.416 2.616 0 50 EFAA CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 22053590 NVEPLQDORJSXRO-DLBZAZTESA-N 336.476 2.729 0 50 EFAA in-vitro O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H]1c1ccc(F)cc1 67805914 DVLZOYRKTAJENI-KRWDZBQOSA-N 347.411 2.963 0 50 EFAA CCOc1ccc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 65417210 RCFBLXBDRBQFDZ-ZWKOTPCHSA-N 330.403 2.970 0 50 EFAA CCOC(=O)c1nc(CC)oc1NC(=O)[C@@H]1CCCc2cccnc21 252484384 FVCJGKJOUSIZIW-GFCCVEGCSA-N 343.383 2.867 0 50 EFAA CC(C)CCc1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)n(C)n1 252498550 REMJTYJOPMFGBN-QGZVFWFLSA-N 344.459 2.734 0 50 EFAA CC(C)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 61718338 JFLLFKFBDHATDN-UHFFFAOYSA-N 333.819 2.726 0 50 EFAA c1cc(O[C@@]23CCCN(CC2)C3)ccc1CN1CCc2n[nH]cc2C1 67789341 NYCMFCXIOKOLDD-FQEVSTJZSA-N 338.455 2.585 0 50 EFAA Cc1c(NC(=O)c2ccco2)nnn1CCOc1ccc(F)cc1 252478124 ADZHQVHEBJQUQP-UHFFFAOYSA-N 330.319 2.650 0 50 EFAA Cc1n[nH]cc1C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 328586767 JKDMTTZKWJTZQT-AWEZNQCLSA-N 337.326 2.533 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(N2CCCC2)nn1 150875009 GBXRAZDQBYTMJS-UHFFFAOYSA-N 346.394 2.786 0 50 EFAA CC(C)(C)c1ccc(NC(=O)NCCNC(=O)c2cccnc2)cc1 75971185 LOEHBOYNLPQHHM-UHFFFAOYSA-N 340.427 2.931 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2cnc(CC(C)C)s2)CCO1 328641601 QQIOQESYTBXHRA-AWEZNQCLSA-N 335.477 2.527 0 50 EFAA Cc1ccccc1-n1cccc1CN1CCOC[C@@H](CN(C)C)C1 72166565 HVXWPJWLTZRNLF-SFHVURJKSA-N 327.472 2.796 0 50 EFAA C[C@H](Cc1cccnc1)NCc1nc(Cc2ccccc2F)no1 71776454 FDOPOXHGJHDMLR-CYBMUJFWSA-N 326.375 2.915 0 50 EFAA Cc1csc(CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)n1 151798438 GEXQQTZSIFMJBI-MRXNPFEDSA-N 347.827 2.998 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2oc(C3CC3)nc2C)c1 282305112 BMPBQTHONNCZMC-ZBFHGGJFSA-N 342.395 2.817 0 50 EFAA CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cc1 236783759 CGJGQQSEVVTBAW-INIZCTEOSA-N 344.342 2.730 0 50 EFAA c1cc([C@H]2CCCO2)sc1CN1CCN(C2CCOCC2)CC1 216260269 ZJGYYIKFNFVKAX-QGZVFWFLSA-N 336.501 2.896 0 50 EFAA C[C@H](CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1)C(=O)O 237377967 ZZRVMTCEFIUFCA-LLVKDONJSA-N 333.432 2.841 0 50 EFAA CC[C@H]1CN(CCn2ccnc2C)CCC(=O)N1Cc1ccccc1 71662466 YDBVMEQFTKBWPL-IBGZPJMESA-N 340.471 2.705 0 50 EFAA Cc1noc(C2(C)CCN(C(=O)[C@@H]3Cc4c(C)cccc4O3)CC2)n1 450519998 UFHCYMZTGBYCEM-INIZCTEOSA-N 341.411 2.570 0 50 EFAA Cc1cc(N2CCC[C@@](O)(CN(C)C)CC2)nc(-c2ccccc2)n1 72162838 QWPSRYASOIQLSF-FQEVSTJZSA-N 340.471 2.735 0 50 EFAA Cc1nsc2ncn(CC(=O)c3cc(C)n(C4CC4)c3C)c(=O)c12 283044974 NRLMAFXPPUTNKS-UHFFFAOYSA-N 342.424 2.798 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCc1csc(N)n1 77298574 UIGACMUNXOUXPB-UHFFFAOYSA-N 341.440 2.502 0 50 EFAA CO[C@@H](C(=O)N1CCC(c2ncccc2Cl)CC1)c1cnn(C)c1 374289112 VCEWJGMVOYEENH-MRXNPFEDSA-N 348.834 2.562 0 50 EFAA Cc1cc(N[C@H](CC(C)C)c2ncnn2C)n2nc(C)c(C)c2n1 72410723 OOLJDPDORDIBQV-CQSZACIVSA-N 327.436 2.982 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 263130258 LOGUCYQSIHANOG-UHFFFAOYSA-N 344.367 2.778 0 50 EFAA COC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 159339666 XZSKKLGDXSMMAB-ZDUSSCGKSA-N 348.424 2.708 0 50 EFAA CC(=O)Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)c(O)c1 71405629 KLHJIYLMZIEYLF-QDIASNEPSA-N 328.412 2.859 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C)CCc1ccccc1 240744040 HUAVYXNTWCVWDL-CGTJXYLNSA-N 338.517 2.657 0 50 EFAA C[C@@H](c1ccccc1)N(C)C(=O)CN1CCO[C@@H](c2nccs2)C1 222210355 AKNUIMLUTFBHBT-GOEBONIOSA-N 345.468 2.736 0 50 EFAA C[C@H]1C(=O)N(c2ccccc2)CCN1C(=O)c1cnc2ccccc2n1 220170634 ABVOWNLGJMSVNV-AWEZNQCLSA-N 346.390 2.507 0 50 EFAA CC(C)OCCCNC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 426423126 URJRZPXVHNBZAB-IBGZPJMESA-N 348.487 2.827 0 50 EFAA CCCn1cc(CN2CCN(CCc3ccccc3)CC2)c(C)n1 222757962 QBPWPCUECDVQAA-UHFFFAOYSA-N 326.488 2.962 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 177066520 NGJLANAOHBWBDX-CQSZACIVSA-N 331.803 2.902 0 50 EFAA Cc1n[nH]c(C)c1CNC(=O)N1CCN(c2ccccc2Cl)CC1 426651983 JQOJIGVHXPEOGT-UHFFFAOYSA-N 347.850 2.712 0 50 EFAA O=C(NCCCC(=O)N1CCCc2ccc(F)cc21)c1cccnc1 178519257 PJIQMMFOIZWKMM-UHFFFAOYSA-N 341.386 2.710 0 50 EFAA Cc1ncncc1C(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95376372 YZAYOJPNWTZEQT-OAHLLOKOSA-N 325.368 2.503 0 50 EFAA O=C(NCCc1cc(F)cc(F)c1)c1cnc(-c2ccncc2)nc1 97773052 JVTDCPNSGXQXRK-UHFFFAOYSA-N 340.333 2.789 0 50 EFAA CCC(CC)c1cc(CNC(=O)N2CCC(F)(F)[C@H](CO)C2)on1 291886803 WJPVVBUKVFXHOP-LBPRGKRZSA-N 345.390 2.737 0 50 EFAA CCc1ncc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 95368221 RRRMKGFWWZMPMH-UHFFFAOYSA-N 325.290 2.868 0 50 EFAA COCC[C@]1(O)CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1C 91655806 IBBPUPKAJCEDCL-DNVCBOLYSA-N 347.434 2.621 0 50 EFAA CC(=O)c1cnc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1C 95352275 SDRSDBKQQHADNQ-CYBMUJFWSA-N 344.802 2.858 0 50 EFAA Cc1ccc(Cl)c(C)c1NC(=O)NCCSc1ncn[nH]1 96141897 QQUYWWYXTAYGNF-UHFFFAOYSA-N 325.825 2.989 0 50 EFAA CCOCCc1nc(-c2ccc(Cn3nc(C)cc3C)cc2)n(C)n1 91707192 NIDCCZYTVYYHTC-UHFFFAOYSA-N 339.443 2.923 0 50 EFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)cc1C)C2 91380890 PARBAQNEBVIDAB-DLBZAZTESA-N 341.455 2.728 0 50 EFAA Cc1cc(C)n(-c2ccc(N3C[C@@H]4CN5CCCC[C@H]5[C@H]4C3)nc2)n1 239667611 BQTIUAIPCLBOAS-WDSOQIARSA-N 337.471 2.805 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239377510 OBBPNWZEIUKAPI-DARAHFNDSA-N 343.379 2.715 0 50 EFAA COCc1noc(CCNC(=O)c2cc(Cl)c(C)c(Cl)c2)n1 95356784 HELILNLLYGEKJE-UHFFFAOYSA-N 344.198 2.804 0 50 EFAA COC[C@@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)C1CC1 295271176 IGLDMNWGTJNCLB-GFCCVEGCSA-N 335.429 2.878 0 50 EFAA O=C(Cc1ccccc1OC(F)F)N[C@@H]1COc2ccccc2C1=O 181558156 BIKQJDAZRWPZJR-CYBMUJFWSA-N 347.317 2.591 0 50 EFAA CNc1ccccc1C(=O)NCc1cccc(CN2CCCC2=O)c1 299697264 ONANPTZAQXMLBB-UHFFFAOYSA-N 337.423 2.781 0 50 EFAA Cc1cc([C@@H]2CCCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n[nH]1 299754021 LOLRAMHCWWCJBG-CHWSQXEVSA-N 347.850 2.973 0 50 EFAA CC1(C)C(CNC(=O)N2CCCN(C(=O)c3ccco3)CC2)C1(C)C 376503511 BRKODGCUNNOMAV-UHFFFAOYSA-N 347.459 2.819 0 50 EFAA COc1cccc(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)c1F 299789121 XCKWCKSTGYJPJT-UHFFFAOYSA-N 348.418 2.745 0 50 EFAA Cc1ncnc(C)c1C(=O)N[C@@H]1CCCN(Cc2cccs2)C1 828133689 OWIVAWICBIYYQY-CQSZACIVSA-N 330.457 2.549 0 50 EFAA COCCOC1CCN(C(=O)c2cccc(NC(=O)C(C)C)c2)CC1 824445038 ITQMIMUUGHGITG-UHFFFAOYSA-N 348.443 2.549 0 50 EFAA Oc1cc([C@H]2CCCN(Cc3cc(-c4ccccn4)no3)C2)ncn1 670457230 YFYVZQUQAMRIPW-ZDUSSCGKSA-N 337.383 2.612 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@]12CCOC2 1363069614 LANLDGTYVZPACI-KRWDZBQOSA-N 349.793 2.978 0 50 EFAA COCC(=O)Nc1cc(NC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)ccc1OC 1565530863 VYDBYALFYDARQS-DYEKYZERSA-N 347.415 2.590 0 50 EFAA Cc1ccc([C@H](CNC(=O)CCN2CCCCCC2=O)N(C)C)cc1 952979224 UBHIFYUYMHJQIE-SFHVURJKSA-N 345.487 2.507 0 50 EFAA Nc1nc2c(s1)CN(c1cc(-c3ccccc3)nc3ccnn13)CC2 72411185 SNLVTNDPTATVAL-UHFFFAOYSA-N 348.435 2.998 0 50 EFAA Cc1nccc(N2CCCN(C(=O)Cc3ccccc3Cl)CC2)n1 1057140773 YECRHINBDMEGKH-UHFFFAOYSA-N 344.846 2.720 0 50 EFAA CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1c(F)cccc1Cl 408524342 SKCYTVHKYRCVOX-ZDUSSCGKSA-N 332.828 2.698 0 50 EFAA CC[C@@H]1CN(C)CCCN1C(=O)Cc1csc(-c2ccccn2)n1 408515620 IXXFESDFTMAXEW-OAHLLOKOSA-N 344.484 2.690 0 50 EFAA CCc1csc(S(=O)(=O)NC(=O)C2CCCCCCC2)n1 408504954 XXWDSXZLWDECHM-UHFFFAOYSA-N 330.475 2.871 0 50 EFAA COc1ccccc1CCC(=O)NCc1ccnc(-n2cccn2)c1 170605825 MMKJXPSXEQVLMX-UHFFFAOYSA-N 336.395 2.525 0 50 EFAA Cc1ccc(C[C@@H](C)NC(=O)COc2cncc(Cl)n2)s1 170600703 GGIGBJRLSHDFMF-SECBINFHSA-N 325.821 2.626 0 50 EFAA Cc1cncc(C(=O)N2CCN(c3cncc4ccccc34)CC2)c1 170619115 AUHJJVCEHWOUOW-UHFFFAOYSA-N 332.407 2.901 0 50 EFAA C[C@H]1C[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCO1 271695970 SVIUJVRNCCCLCQ-HKUYNNGSSA-N 345.487 2.719 0 50 EFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2nccnc2cc1F 280105004 PFFPEGKXLYXBJP-DIFFPNOSSA-N 347.415 2.553 0 50 EFAA CCOc1c(Cl)cc(CN2CCO[C@]3(CCOC3)C2)cc1OC 187539388 NGIZHYVFMPRQMB-QGZVFWFLSA-N 341.835 2.739 0 50 EFAA CN(C)C(=O)CCCSc1nc2cc(Br)cnc2[nH]1 191448796 XQKOQBCKZAKJQO-UHFFFAOYSA-N 343.250 2.681 0 50 EFAA C[C@@H](Oc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)cc1)c1ccccc1 191828951 HHKHQWCNFDVRCR-RHSMWYFYSA-N 338.407 2.774 0 50 EFAA Cc1ncc(C(=O)NCCc2cccc(C(=O)O)c2)c(C(C)C)n1 192909350 CFNQUKQQEDNVPQ-UHFFFAOYSA-N 327.384 2.579 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N[C@@H]1CCN(c2ccccc2)C1 195572552 DLWQVYNCIXXYRT-LSDHHAIUSA-N 340.427 2.729 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N[C@@H](C)c2cn3ccsc3n2)c1 1506424988 AORICOYHOWPYGJ-LBPRGKRZSA-N 342.424 2.910 0 50 EFAA Cc1ccc([C@@H](Nc2cc3nncn3c(N)n2)c2cccnc2)cc1C 1529198623 GQZMLHXPHQGSCK-GOSISDBHSA-N 345.410 2.920 0 50 EFAA CCC[C@H]1CN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1NC(C)=O 212781403 NAZYWQGIJPLGPO-BBRMVZONSA-N 340.826 2.785 0 50 EFAA c1cnc2c(CN3CCC4(CC3)OCCc3sccc34)cnn2c1 1704345062 VGEIHGXIJADBOX-UHFFFAOYSA-N 340.452 2.855 0 50 EFAA Cn1ccc(C2CCN(CCOc3ccc(F)cc3)CC2)cc1=O 1772710960 XNIYDWQVNLSPEO-UHFFFAOYSA-N 330.403 2.783 0 50 EFAA CC(C)N1C[C@@H](CN(C)Cc2nc3ccccc3n2C)CCC1=O 1775978433 STHAETNZLSTVDY-OAHLLOKOSA-N 328.460 2.652 0 50 EFAA COc1ccc(OCc2nc(C(=O)NCc3ccncc3)co2)cc1 12308174 WYBXQRFNTWMVIA-UHFFFAOYSA-N 339.351 2.587 0 50 EFAA O=C(Cc1ccsc1)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 12463961 HPFYTEAVVIVDSE-KRWDZBQOSA-N 342.464 2.641 0 50 EFAA Cc1cccnc1CNC(=O)c1cc(Cn2cnc3ccccc32)on1 15069213 UVULXSXKOBXEMF-UHFFFAOYSA-N 347.378 2.706 0 50 EFAA COc1ccc(OCC(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 19556781 KMMKMYRTVBSPHY-QGZVFWFLSA-N 344.455 2.575 0 50 EFAA O=C(CSc1nc(=O)cc(-c2ccccc2)[nH]1)Nc1ccccn1 19899990 GEUGDSCMGCWFML-UHFFFAOYSA-N 338.392 2.563 0 50 EFAA aggregator Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[C@@H]2NCCC[C@@H]2C1 1857709988 BSFZQEGGZHPHPW-DYVFJYSZSA-N 329.419 2.758 0 50 EFAA CCc1ccc(OC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 131659401 FVEHNZMQXVMWJZ-MRXNPFEDSA-N 341.407 2.952 0 50 EFAA CN(C(=O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1)C1CCCCC1 248015068 CSPXPAKEJXFFDW-MSOLQXFVSA-N 344.455 2.578 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434261 CDRGTNOUTVTFLJ-ABAIWWIYSA-N 341.411 2.746 0 50 EFAA CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CNCCO1 150694471 XDVUKZIAVOKAOX-GFCCVEGCSA-N 346.349 2.811 0 50 EFAA O=C(NCC(=O)N1CCCC1)c1cc(Cl)cc(C(F)(F)F)c1 153984284 QTQHVTOKODQASN-UHFFFAOYSA-N 334.725 2.711 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc(C(C)(C)C)on2)C(=O)O)cc1 262098407 GMZJYBWTZQGQKR-AWEZNQCLSA-N 332.356 2.536 0 50 EFAA O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1cccc(-c2ccoc2)c1 262768246 LATWGGRJGZHJOG-CVEARBPZSA-N 329.352 2.556 0 50 EFAA O[C@@H](CN[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cn1 819080225 ZFBYXNBDWZSKJG-YJBOKZPZSA-N 333.382 2.652 0 50 EFAA C=CC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 820432583 BKRJCARETGTJGL-UHFFFAOYSA-N 330.409 2.632 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(C[C@@H]3CCCCO3)CC2)n1 931842709 MCPHDPXELRBEIE-KSZLIROESA-N 349.475 2.922 0 50 EFAA O=C(c1nnc2ccccc2n1)N1CCO[C@@H](c2ccccc2)CC1 1121209488 JYBVMCPEZAMJDK-QGZVFWFLSA-N 334.379 2.629 0 50 EFAA CC[C@@H](C)CN(C)C(=O)c1cnc(I)c(O)c1 863948454 SYMOXKLBDAEYEJ-MRVPVSSYSA-N 348.184 2.510 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)c3ncoc3C3CC3)[C@H]2C)o1 952852666 NFJYJRMTWCCYNC-JQWIXIFHSA-N 330.388 2.906 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cccc4c3CCC4)CC2)O1 952889664 JEUFDNQYVNOWCA-ZWKOTPCHSA-N 343.423 2.660 0 50 EFAA COC(=O)c1ccc(CSCCCCS(C)(=O)=O)cc1OC 1875255159 ROVLEOGKBOLLBK-UHFFFAOYSA-N 346.470 2.540 0 50 EFAA C[C@@H](C(=O)O)C(=O)N[C@H]1C[C@H](c2cccc(Br)c2)C1 1875286224 KWSKZJCVTMSTJY-HLUHBDAQSA-N 326.190 2.532 0 50 EFAA CO[C@H](CS(=O)(=O)Nc1ccc2n[nH]cc2c1Cl)C(C)C 1875278985 CTTWIWUVXMLBIP-GFCCVEGCSA-N 331.825 2.629 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(c4ccncc4)CCC3)n[nH]c21 1875294404 QZFLPUXORBFTFW-NEPJUHHUSA-N 326.400 2.636 0 50 EFAA Cc1nc2ccccc2n1[C@@H](C(=O)N[C@@H]1CCn2ccnc21)C(C)C 1875265657 SGYIXYAZHYREIL-NVXWUHKLSA-N 337.427 3.000 0 50 EFAA CO[C@@H]1CCCN(c2nnnn2Cc2c(C)cc(C)cc2C)CC1 1875272396 WIIRHVABALAPDP-MRXNPFEDSA-N 329.448 2.652 0 50 EFAA Clc1ccccc1CN=c1ccc2nnc(-c3cccnc3)n2[nH]1 1875360864 KYJJPORHCFELFJ-UHFFFAOYSA-N 336.786 2.874 0 50 EFAA c1ccc(-c2nc(NCC3(n4cncn4)CC3)c3ccsc3n2)nc1 1875339207 DRNLMRQQEQHZMR-UHFFFAOYSA-N 349.423 2.946 0 50 EFAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1CCn2cncc2C1 1875305041 DHOBJTDVVQTAAA-GPMSIDNRSA-N 339.439 2.952 0 50 EFAA CC(=O)N1C[C@H](NCc2cnn(C(C)(C)C)c2)CC[C@@H]1C(F)(F)F 886031032 APDLIIWKRFXPID-ZIAGYGMSSA-N 346.397 2.670 0 50 EFAA Cc1cc(C(=O)NC2CCN(c3cccc([C@H](C)O)n3)CC2)c(C)o1 892294079 ZPTSJYPVYRCXLJ-ZDUSSCGKSA-N 343.427 2.744 0 50 EFAA COCc1nccc(N2CCN(c3nccc4sccc34)CC2)n1 893884232 CMJJXRBANKTOOR-UHFFFAOYSA-N 341.440 2.559 0 50 EFAA Cc1nc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2o1 1320440049 IGGNNDZXEISTDR-UHFFFAOYSA-N 346.364 2.564 0 50 EFAA CC(C)(C)c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1 386402 IKIQSJUOMCHORR-UHFFFAOYSA-N 337.383 2.851 0 50 EFAA Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1 1261989 ZCLHPPBTVIEWFP-UHFFFAOYSA-N 333.754 2.701 0 50 EFAA O=C(O)[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1cccs1 2325744767 BVMKBNOLVIJSBL-CQSZACIVSA-N 333.409 2.695 0 50 EFAA C[C@](O)(CCNC(=O)c1ccc2cc(C(=O)O)ccc2c1)C1CC1 2325788697 XVJUQHCJXGJPTH-IBGZPJMESA-N 327.380 2.819 0 50 EFAA COc1ccc(-n2nc(CCSC)nc2[C@H]2C[C@H](N(C)C)C2)cc1 2325849273 JZVJXDNHGKDPCH-CTYIDZIISA-N 346.500 2.989 0 50 EFAA COc1cccc(CC2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)c1 2325852510 JBSXKMMBGRKQND-MRXNPFEDSA-N 345.361 2.790 0 50 EFAA Cc1cc(C)cc(-n2ncc(CN3C[C@H](N)Cc4ccccc43)n2)c1 2325857441 BDVFIGBBHUKGIS-QGZVFWFLSA-N 333.439 2.774 0 50 EFAA OCc1ccc(Sc2cn(C[C@@H]3CC[C@@H](C4CC4)O3)nn2)cc1 887470242 JIZKRGHKTZIAOP-HOCLYGCPSA-N 331.441 2.879 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 275629 NMWFIAYQODQVRM-CRJCFHLZSA-N 348.196 2.672 0 50 EFAA COc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 582988 LZSFLVJVSYTHBM-UHFFFAOYSA-N 346.770 2.713 0 50 EFAA NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 2379502 STVKKYSKVNCQJU-UHFFFAOYSA-N 326.396 2.500 0 50 EFAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(Cc3ccc(O)cc3)n21 2356139816 ZHIMJXPMAUCZNU-CQSZACIVSA-N 348.406 2.678 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C 4536221 UDLKUJPACGFLMX-INIZCTEOSA-N 332.400 2.593 0 50 EFAA C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)N1CCOCC1 4805651 JGUOXLVKLXTKSH-SECBINFHSA-N 348.624 2.729 0 50 EFAA COc1cc(OC)c(NC(=O)C2CCN(C(C)=O)CC2)cc1Cl 6698544 KAKRYYBYWNWVMW-UHFFFAOYSA-N 340.807 2.554 0 50 EFAA COc1ccc(NC(=O)NCCOc2ccccc2OC)c(OC)c1 9874781 YKHVKZITWHDKPG-UHFFFAOYSA-N 346.383 2.913 0 50 EFAA Cc1cc(C)n(CCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)n1 55243367 PEPGSYMSPOMDPS-DNVCBOLYSA-N 331.460 2.677 0 50 EFAA COc1ccc(N2C(=O)C[C@@H](NCc3ccc(Cl)cc3)C2=O)cc1 100570826 HOBDKWMUZCTUHR-MRXNPFEDSA-N 344.798 2.770 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 247312783 RFMMZZQEOOIWPF-TUKIKUTGSA-N 337.261 2.621 0 50 EFAA CN1CCN(C(=O)C(Cl)(c2ccccc2)c2ccccc2)CC1 20220076 QVVZWEZRJLCCCY-UHFFFAOYSA-N 328.843 2.943 0 50 EFAA CN(C)Cc1ccnc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 346927756 VSHGSDLJNQUCQM-UHFFFAOYSA-N 335.411 2.640 0 50 EFAA Cc1ccc(CN2CC[C@H](CNC(=O)Cc3cccnc3)C2)cc1C 67689226 DPBLPXPZDRBYRF-HXUWFJFHSA-N 337.467 2.879 0 50 EFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@@H]1c1cc2ccccc2o1 67982436 KXOAAJZWZKWUGT-IBGZPJMESA-N 348.410 2.915 0 50 EFAA O=C(NCC[C@H]1CCCCO1)Nc1ccc(Br)cn1 121973788 FSGYXWPDRANXED-LLVKDONJSA-N 328.210 2.925 0 50 EFAA Cc1ccc(CSCCNC(=O)NCc2cc(C)nn2C)cc1 252494574 NYWHLZNIBVATML-UHFFFAOYSA-N 332.473 2.770 0 50 EFAA CC[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1 252673615 RFVUDKVPXJSBEW-KCXAZCMYSA-N 328.453 2.536 0 50 EFAA CCOC(=O)c1c(C)noc1NC(=O)N(C)CCc1cccs1 328596014 NSTZCTHSKRIEFM-UHFFFAOYSA-N 337.401 2.928 0 50 EFAA O=C(CSCC1CC1)N1CCC([C@H](O)Cc2ccccc2)CC1 77408391 ZHUZYRIGRXGIKC-GOSISDBHSA-N 333.497 2.972 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)o1 328610871 JKJUYNAGBRPZMZ-OAHLLOKOSA-N 347.390 2.865 0 50 EFAA O=C1COc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2N1 4784661 ALAYEFCBZQEQCC-UHFFFAOYSA-N 326.396 2.572 0 50 EFAA Cc1nnsc1COC(=O)c1ccc(N2CCC(C)CC2)nc1 253424435 FZMLADXCMANNIU-UHFFFAOYSA-N 332.429 2.835 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)NCc1coc(-c2ccccc2)n1 356211825 GTXFCGHPHWVQJJ-UHFFFAOYSA-N 336.347 2.929 0 50 EFAA CCn1c(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc2ccccc21 360188214 KLIJFQJMQDAXGC-UHFFFAOYSA-N 338.411 3.531 0 50 EFAA O=C(Cn1c(S)nnc1-c1cccs1)NCCC1=CCCC1 152505999 IIRKQHLTFPARRS-UHFFFAOYSA-N 334.470 2.912 0 50 EFAA O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccccc1COC1CCOCC1 127468941 PGYFFGZALOSCDW-DOTOQJQBSA-N 347.455 2.663 0 50 EFAA COc1ccccc1-c1cc(CNC(=O)c2cccc3ccnn23)on1 72158280 IRFMOPKSQURJSL-UHFFFAOYSA-N 348.362 2.928 0 50 EFAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1nccc(Oc2ccccc2)n1 365123024 NCVYVAJUDQTNEP-BMFZPTHFSA-N 338.411 2.892 0 50 EFAA O=C([C@H]1CCN(C2CCCCC2)C1)N1CCC(c2cn[nH]c2)CC1 363662345 ZOKKDPDHGBQAJJ-INIZCTEOSA-N 330.476 2.770 0 50 EFAA CN(C(=O)c1ccc(-c2cccc3cccnc23)cc1)[C@@H]1COC[C@H]1O 367841183 JTTSFTPDJCKNBG-RTBURBONSA-N 348.402 2.734 0 50 EFAA Cc1nccn1CC(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 77299672 AUKISYSAAPITLM-UHFFFAOYSA-N 328.803 2.911 0 50 EFAA O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2cc[nH]n2)CC1 371399310 ZOEABYGFZDGGLV-SFHVURJKSA-N 330.476 2.803 0 50 EFAA Cc1cc(C)nc(CCn2ccnc2-c2cnc(N3CCCC3)nc2)n1 71752222 GYHQSFRSIFCRRD-UHFFFAOYSA-N 349.442 2.590 0 50 EFAA c1cn(CC[C@H]2CCCCN2Cc2cnc(N3CCCC3)nc2)cn1 77354665 VOIQBDWFFHCCBA-GOSISDBHSA-N 340.475 2.718 0 50 EFAA c1ccc2c(c1)CCCC[C@@]21CCCN(c2ccc3nnnn3n2)C1 374541142 JILOXYLHCKTGIO-IBGZPJMESA-N 334.427 2.784 0 50 EFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C12CCC2 132866781 NXEROYXUTLZTAB-CABCVRRESA-N 331.416 2.597 0 50 EFAA C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cc(COc3ccccc3F)on2)O1 239672624 BUGUQTHPZFXCHX-PSTGCABASA-N 348.374 2.822 0 50 EFAA Cn1ccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)n1 337578502 YQAOAJNZNVKFCQ-UHFFFAOYSA-N 332.257 3.144 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)C1 263037827 CQYHCGJEGLMALQ-GZBFAFLISA-N 345.395 2.622 0 50 EFAA Cc1cccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)c1 82146174 XYVBYBXLXGGPBA-OAHLLOKOSA-N 338.407 2.887 0 50 EFAA CC1(C)CC(CC(=O)NC[C@@H](O)Cc2ccccc2)CC(C)(C)N1 426443162 HMBMJAJKISIZBP-KRWDZBQOSA-N 332.488 2.653 0 50 EFAA CN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCSC1 178896417 OGMFVEMPHRRYQP-GOSISDBHSA-N 347.528 2.840 0 50 EFAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)CC1CCN(C)CC1 97711707 ROYJFKCAJNDAGG-HNNXBMFYSA-N 336.451 2.921 0 50 EFAA COc1ccc(CCNC(=O)c2cnc(CN3CCCC3)s2)cc1 97324017 PPQVCSFFSMYZFC-UHFFFAOYSA-N 345.468 2.720 0 50 EFAA C[C@H]1CN(C2CCN(c3ncc(Cl)cc3F)CC2)C[C@@H](C)O1 95378803 GVRYRAMFGZHTIZ-TXEJJXNPSA-N 327.831 2.952 0 50 EFAA Cc1nc(CCS(=O)(=O)c2ccccc2)n(-c2ccc(F)cc2)n1 96138323 QXPUXCCKUAVCPT-UHFFFAOYSA-N 345.399 2.731 0 50 EFAA CN1CCCCC[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 95368805 NGPNFQXAGXPBIW-KRWDZBQOSA-N 334.435 2.510 0 50 EFAA O=C(O)c1cccc(N2CCC([C@@H](O)CCc3ccccc3)CC2)n1 95531215 NFEBDBQPGLPVEH-SFHVURJKSA-N 340.423 2.990 0 50 EFAA COc1cc(CN2CCC[C@@H](c3ccncn3)C2)cc2c1OCO2 97743020 UOGALRRCMAMLEJ-CQSZACIVSA-N 327.384 2.594 0 50 EFAA Cc1nc2c(c(N(C)Cc3cnn(C)c3C)n1)Cc1ccccc1OC2 95507564 SBGFYDOJTHCJFD-UHFFFAOYSA-N 349.438 2.947 0 50 EFAA CC(C)N1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 95522829 ZJMJOXJVFMOZFI-OAHLLOKOSA-N 334.464 2.506 0 50 EFAA COc1cccc(-c2cc(C(=O)N3CC(c4cccnc4)C3)[nH]n2)c1 91551183 GECOZXWSCJMQHR-UHFFFAOYSA-N 334.379 2.720 0 50 EFAA COc1ccc(OC)c(NC(=O)N[C@H](c2nccn2C)C(C)C)c1 96140351 CBKQFRMOTGMXIT-HNNXBMFYSA-N 332.404 2.956 0 50 EFAA CNc1cc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2OC)ccn1 97711850 GSBCGDAMLUVNMB-LBPRGKRZSA-N 329.400 2.974 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)C(=O)c3ccco3)C2)cc1 244817060 STSAZWYOSMTIIC-AWEZNQCLSA-N 343.379 2.789 0 50 EFAA CNc1cc([C@H]2C[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)ncn1 244741950 NZNBXYHPNGUNBQ-BETUJISGSA-N 340.402 2.751 0 50 EFAA CNc1cc([C@H]2C[C@@H](NC(=O)C3=Cc4ccccc4OC=C3)C2)ncn1 252537302 KXSXGNNFIRQUDW-IYBDPMFKSA-N 348.406 2.870 0 50 EFAA COCCn1ccc2c(C(=O)N[C@@H](CO)c3ccccc3)cccc21 252480155 BWZWCYGJSSZXSM-SFHVURJKSA-N 338.407 2.751 0 50 EFAA Cc1c(C(=O)NCc2ccco2)nnn1-c1ccc(OC(F)F)cc1 252491794 LTJOYUJAHYJIBZ-UHFFFAOYSA-N 348.309 2.700 0 50 EFAA Cc1cnc(C(C)(C)NCCn2cnc3ccccc3c2=O)s1 183941129 UFGZPWTYPSNWAB-UHFFFAOYSA-N 328.441 2.686 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1Cc2cccc(F)c2O1)c1ccc(F)cc1 299750912 OTQULXZVUUAISN-CABCVRRESA-N 347.317 2.601 0 50 EFAA CCn1cc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1 299785054 ZCFRELLYGCHOIY-KRWDZBQOSA-N 341.459 2.855 0 50 EFAA O=C(NCCCn1cc(Cl)cn1)N1CC[C@H](Oc2ccccc2)C1 584885991 SBTZSNUKKHDILW-INIZCTEOSA-N 348.834 2.790 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)NC2(CC(C)(C)C)CC2)C1 670472668 LUOODHHZNVELRX-AWEZNQCLSA-N 346.475 2.993 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@]1(O)C1CC1 1565526948 OTMRCCOAAUXMIG-MGPUTAFESA-N 328.456 2.910 0 50 EFAA COc1ccccc1C[C@@](C)(CO)NCc1ccc2c(c1)ncn2C 631236280 XTDMMWSWWWEUAH-FQEVSTJZSA-N 339.439 2.665 0 50 EFAA O=C(COc1ccccc1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186611953 NQNOPUWTVRSDOU-GOSISDBHSA-N 339.439 2.631 0 50 EFAA Cc1ccc(Cl)c(OC[C@H](O)Cn2ccnc2-c2cnccn2)c1 170078216 VFXANMUYXCYPOU-CYBMUJFWSA-N 344.802 2.742 0 50 EFAA CCCN1CCCN(C(=O)Nc2ccccc2N2CCCC2)CC1=O 170606441 BCZSTJWJAGKION-UHFFFAOYSA-N 344.459 2.763 0 50 EFAA Cc1cc(C)cc(C2(C(=O)OC[C@@H]3CCCN3C(N)=O)CCC2)c1 170632447 FJIXWTFIUMUKIH-INIZCTEOSA-N 330.428 2.811 0 50 EFAA CC(=O)N1CCCN(C(=O)c2cc(N(C)C)ccn2)c2ccccc21 170603298 ALXFZROMJGAHLD-UHFFFAOYSA-N 338.411 2.551 0 50 EFAA O=C(NCc1cc(-c2ccccc2)on1)N[C@H]1c2ccccc2C[C@H]1O 303362364 DBSJHMONSRTAQJ-MJGOQNOKSA-N 349.390 2.799 0 50 EFAA C[C@H]1C[C@@H](C)CN(CCSc2nnc(-c3cccnc3)n2C)C1 408523812 NREMYUBBNRUMMD-OKILXGFUSA-N 331.489 2.947 0 50 EFAA COc1ccnc(CC(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c1 408515626 JYTGGNLFOIDYJF-KDOFPFPSSA-N 326.396 2.621 0 50 EFAA O=C1[C@H](NC[C@@H]2CCC=CO2)CCCN1Cc1ccc(F)cc1F 189890856 TZYNGPOHZDJMBL-DOTOQJQBSA-N 336.382 2.738 0 50 EFAA C[C@H](O)CN1CCC(CN(C)Cc2ccc(Br)o2)CC1 191338098 WDYGYHCRLVRGDS-LBPRGKRZSA-N 345.281 2.567 0 50 EFAA C[C@@]1(c2ccccc2)CC(=O)N(CC2CCC3(CC2)OCCO3)C1=O 192190105 DIEVBJDKZQQQDM-IBGZPJMESA-N 343.423 2.637 0 50 EFAA CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)C1 652389920 OJICQKRSYNYXLL-BXUZGUMPSA-N 345.226 2.720 0 50 EFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nncn2C)C1 195084549 DSOKCNQCFUEWOX-HIFRSBDPSA-N 330.407 2.539 0 50 EFAA Cc1ccc(CNC(=O)[C@]2(C)CCCCN2)c(OC[C@@H]2CCOC2)c1 195556997 SVCDHVLTFJEZPA-UZLBHIALSA-N 346.471 2.559 0 50 EFAA Cc1nn2c(NC(=O)C[C@@H]3CCc4ccccc43)csc2nc1=O 1506407455 OIPKDVKXWUAGLE-LBPRGKRZSA-N 340.408 2.518 0 50 EFAA Cc1ccc(C(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)c(O)n1 1506417676 SJVXNPJXLRTDIJ-UHFFFAOYSA-N 344.455 2.747 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)CCOc2cc(C)cc(C)c2C)CC[C@@H]1O 1704316674 ZPLDRIUBCNNIFB-ZIFCJYIRSA-N 349.471 2.625 0 50 EFAA Cc1ncc(CN(CCO)C(=O)c2csc(-c3cccs3)n2)[nH]1 1704309947 UDHZBMZPDRWRRN-UHFFFAOYSA-N 348.453 2.538 0 50 EFAA CN(c1nncs1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 330032027 HHNABXOMDFRMFN-UHFFFAOYSA-N 342.204 2.809 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1cc(F)c(Cl)cc1Cl)C2 1772707184 KZXOWKWYYMNNTR-IAQYHMDHSA-N 334.218 2.963 0 50 EFAA O=C(CN1CCC(c2ccnc(O)c2)CC1)NC1CCCCCC1 1772809487 BZRZHXSKJKVISK-UHFFFAOYSA-N 331.460 2.806 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2=O)c1 11838259 XYZPVXNVOLZHFG-NRFANRHFSA-N 342.483 2.989 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2N(C)C2CCCCC2)nn1C 11843881 ALDADGDPIIJAJV-UHFFFAOYSA-N 341.459 2.822 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3cc(C)ccc3C)C2)C1=O 12202551 NUPVXNPTXLFKBK-HXUWFJFHSA-N 330.472 2.764 0 50 EFAA CCCCCc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(CCc2ccccc2)n1 1857719702 RXHOMISSDDATHO-RCCFBDPRSA-N 342.487 2.819 0 50 EFAA O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1ccncn1 427139136 CIUHPOISXMYAHT-UHFFFAOYSA-N 334.166 3.426 0 50 EFAA CC(C)C(=O)NCCCNC(=O)N1CCC=C(c2ccccc2)C1 225460516 NRDMBUWIAIQQMW-UHFFFAOYSA-N 329.444 2.648 0 50 EFAA CCn1nncc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 328953362 MJVWPZHPYYBORU-UHFFFAOYSA-N 334.807 2.635 0 50 EFAA COc1ccc(C[C@@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237217208 DQUXRSJXNGNHCA-GDBMZVCRSA-N 333.428 2.977 0 50 EFAA Cc1c(C(=O)NC2(C(=O)O)CCCC2)cnn1-c1ccccc1Cl 237769868 BNTFQEVYAMFQEN-UHFFFAOYSA-N 347.802 2.961 0 50 EFAA O=C(O)CCN(C(=O)Cc1c(F)cccc1Cl)C1CCOCC1 238065058 WIXWTEGCQVJUSK-UHFFFAOYSA-N 343.782 2.504 0 50 EFAA C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 248846937 IBJJLHFDLBGPBH-IMJJTQAJSA-N 340.423 2.767 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H]1C1CCOCC1 263582774 ZAMPRSJPSWZYLQ-QGZVFWFLSA-N 331.412 2.735 0 50 EFAA Cn1nnnc1-c1ccccc1NC(=O)[C@H]1CCOC2(CCCC2)C1 906109343 QREAPEZWNAATRV-ZDUSSCGKSA-N 341.415 2.555 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)nc1 916507550 QTMYCOIZADENDU-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA Cc1nc([C@H]2CCN(C(=O)c3cc4c(C)ccc(F)c4o3)C2)n[nH]1 822748653 HJJOWYUKHSCOAM-NSHDSACASA-N 328.347 2.937 0 50 EFAA Cn1nccc1CNCc1c(Br)c2ccccc2n1C 873013295 ZKPUAMRMZHKKKN-UHFFFAOYSA-N 333.233 2.964 0 50 EFAA COC(=O)CC1CC(n2nnnc2N2CCC[C@H]2c2ccsc2)C1 952878502 FTRDWJKZLUUFLU-UBHUBRDASA-N 347.444 2.590 0 50 EFAA CC1(C)COC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)O1 1875274435 QRRYSFRSSSQEFW-ZOWXZIJZSA-N 335.366 2.762 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@]2(C[C@@H]2C(=O)O)C1 1875304627 PVTKHQWCRCKPEW-IAQYHMDHSA-N 342.317 2.736 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnn(CC(C)C)c1 1875334458 OTEGVSMIHHQOLA-KRWDZBQOSA-N 333.457 2.813 0 50 EFAA C[S@@](=O)c1ccc(NS(=O)(=O)c2cccc3ccncc23)cc1 1875317319 VFFFHHPNEULWFQ-JOCHJYFZSA-N 346.433 2.773 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)c2c(F)cccc2C(F)(F)F)CC1 886048100 RGAGVNGHFWICKE-SNVBAGLBSA-N 346.324 2.962 0 50 EFAA CC[C@@](C)(CCO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 888097455 KLDLWIZRIXIZBN-HNNXBMFYSA-N 346.349 2.620 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)o1 237969518 GKNXPLDFWXZEQR-CQSZACIVSA-N 329.352 2.799 0 50 EFAA COc1cccc(CNC2CCN(c3ccc(C(=O)O)cc3)CC2)n1 2325744775 UCBCYRLVHYMZMS-UHFFFAOYSA-N 341.411 2.547 0 50 EFAA O=C(C[C@H](C(F)F)n1cccn1)N1CCC[C@]12CCCSC2 2325781536 DFZFKISAZWXVKA-IUODEOHRSA-N 329.416 2.968 0 50 EFAA C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1ccc(Oc2ccccc2)cn1 909812151 ZGVYKXMLKGBXPS-DOMZBBRYSA-N 326.352 2.809 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CCCC[C@H]3C(=O)O)s2)cc1 136526480 HJYBYAZCORIDMI-ZDUSSCGKSA-N 346.408 2.898 0 50 EFAA CSc1ncnc2c1ncn2CC(=O)Nc1ccc(C)c(C)c1 133746 PZAYHXOLXABHDS-UHFFFAOYSA-N 327.413 2.804 0 50 EFAA O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 142213 JNTHIVSJYZSLTQ-UHFFFAOYSA-N 344.436 2.652 0 50 EFAA COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1 1874882 OEKWJJXJTHOKSF-UHFFFAOYSA-N 342.447 2.971 0 50 EFAA CC(C)N1CCC[C@]2(CCCN2C(=O)Cc2ccccc2F)C1=O 2356139157 CIJORECHCYXCMH-IBGZPJMESA-N 332.419 2.760 0 50 EFAA COc1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1 2750353 DGQAOUHLOHJMRF-UHFFFAOYSA-N 325.817 2.870 0 50 EFAA CSCCc1[nH]c(SCC(=O)Nc2nnc(C)s2)nc1C 4036753 AISDTRYSNFUSDD-UHFFFAOYSA-N 343.503 2.514 0 50 EFAA C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 4749885 IXDMNTOZRYSPQU-NSHDSACASA-N 327.336 2.678 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1F 6702886 UNXJDJSSUDVNDV-ZDUSSCGKSA-N 342.370 2.987 0 50 EFAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)[nH]n1 225406668 QEFIUJDMXDQDSP-QMTHXVAHSA-N 339.317 2.685 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1OC 225541502 LBFSWXUVBBRBFE-JKSUJKDBSA-N 345.370 2.791 0 50 EFAA CCc1nn2c(C)c(C(C)=O)nnc2c1-c1ccc(OC)c(OC)c1 9418671 IPKVMKDJYZMANP-UHFFFAOYSA-N 340.383 2.882 0 50 EFAA NCC1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 418181380 LZELXKHHMDBTRS-UHFFFAOYSA-N 331.794 2.812 0 50 EFAA CCOc1cc(CNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)ccc1OC 247670992 ZJQBFZDIMJLBNC-PYTWLRIVSA-N 330.428 2.938 0 50 EFAA CCCN1CCC(CC(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1 67784466 ZLCYPZAISDJYJI-UHFFFAOYSA-N 332.492 2.759 0 50 EFAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 248656578 WOIBWJOOJAYDQY-IIAWOOMASA-N 346.789 2.925 0 50 EFAA c1ccc(Cc2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)nc1 65429259 MYVLGBGMUGQDRD-UHFFFAOYSA-N 334.379 2.902 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CC[C@H](N2CC=CC2)C1 136573852 CCHMGHMCTVTEAV-IRXDYDNUSA-N 333.476 2.524 0 50 EFAA CC(C)CN1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO 20272015 BRRSCNLIZHLHKT-HNNXBMFYSA-N 326.868 2.570 0 50 EFAA O=C(COC[C@H]1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1 20995667 UAPSRXLBVMDITB-OAHLLOKOSA-N 347.459 2.538 0 50 EFAA Clc1cnc(N2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1 252478710 ASVXIRDSCPHQMO-GFCCVEGCSA-N 330.259 2.937 0 50 EFAA C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)s1 252498105 QONQKOGEXHODMX-SDDRHHMPSA-N 343.880 2.625 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CCO[C@@H](CCN(C)C)C3)c2)n1 11842049 BAZSFEWFTWSRJM-FQEVSTJZSA-N 342.487 2.642 0 50 EFAA COc1ccc(F)c(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c1 67868229 KFLKTZLMHXDFAF-UHFFFAOYSA-N 331.347 2.577 0 50 EFAA O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1ccc(F)cc1 1393968 MCFWAHRBARLPRY-GFCCVEGCSA-N 326.370 2.963 0 50 EFAA COC(=O)[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1 1393202 KFKDKDBUQRVQTP-AWEZNQCLSA-N 339.800 2.533 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccccn2)CCC(=O)N1Cc1ccccc1 71721585 UNMSKBQMHSHJGH-QGZVFWFLSA-N 337.423 2.735 0 50 EFAA CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(N)=O)n1 151317120 PSLWNBHMCZUZHO-LBPRGKRZSA-N 330.413 2.783 0 50 EFAA Cc1noc(CN(C)c2cc(-c3ccc(F)cc3)nc3ccnn23)n1 72477334 IBVPUCKFBNMCEP-UHFFFAOYSA-N 338.346 2.863 0 50 EFAA O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccn2)C1 72154893 ZPAXBJNQWBAZKG-HNNXBMFYSA-N 336.313 2.760 0 50 EFAA Cc1cccc2nc(CNC(=O)c3cccc([C@H]4CCNC4)c3)cn12 72125642 KIXZUWPCCYXNPP-KRWDZBQOSA-N 334.423 2.650 0 50 EFAA CC(C)Cn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C1CC1 262684555 XUDKMPFIUYDLOI-UHFFFAOYSA-N 333.432 2.790 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 156629265 KYMILGBZBHRYJZ-MRXNPFEDSA-N 341.411 2.700 0 50 EFAA CN1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 216469677 VJGQEVQPAUCVFP-NRFANRHFSA-N 335.495 2.750 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCCN(Cc2ccccc2F)CC1 77505650 OJQBEWGLZNNQAW-UHFFFAOYSA-N 345.418 2.708 0 50 EFAA COc1cc(C(=O)N2CC[C@H](N)C[C@H]2C)ccc1OC1CCCC1 237246420 GGPBCCRQROPFIM-HIFRSBDPSA-N 332.444 2.968 0 50 EFAA COc1ccc([C@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1 237306996 IHVXUWBVPLDZBE-SCLBCKFNSA-N 339.391 2.837 0 50 EFAA CCc1cc(N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)n2ncnc2n1 240444184 FWLGNZVIZGWLNO-FMKPAKJESA-N 328.464 2.528 0 50 EFAA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1ccc(C)o1 240569382 HADMMAGSYBYWTN-GOEBONIOSA-N 328.478 2.516 0 50 EFAA CC[C@@H](C(=O)N1CCC(C2OCCO2)CC1)N(C)Cc1ccccc1 241277691 LIHYJAAFMKCBPM-SFHVURJKSA-N 346.471 2.509 0 50 EFAA C[C@H]1[C@H](OC(=O)CSc2nnnn2C2CC2)C[C@H]2C[C@H]1C2(C)C 241564246 OSQBFZBYTLDBNI-FPQZTECRSA-N 336.461 2.714 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1c(C)nc(O)nc1C 220587989 WYBQJNDFUWGQQR-ZDUSSCGKSA-N 346.456 2.690 0 50 EFAA CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2cnn(C)c2)o1 131983600 XDRWITWYTPVCLC-WFASDCNBSA-N 344.415 2.514 0 50 EFAA COC(=O)c1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 20494163 OJFGADPGBIZSJH-SFHVURJKSA-N 327.380 2.726 0 50 EFAA biogenic CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)C3CC3)CC2)n1 82126255 MUGAOXHCBHNUCJ-UHFFFAOYSA-N 342.365 2.677 0 50 EFAA CCNS(=O)(=O)c1ccc(NC(=S)N2CCCC[C@@H]2C)cc1 17071465 WCWYDMYTWQYLLV-LBPRGKRZSA-N 341.502 2.556 0 50 EFAA O=C(Cc1ccccc1Cl)NCC(=O)N1Cc2ccccc2C1 225324020 CFDJDVXYPWBVIM-UHFFFAOYSA-N 328.799 2.541 0 50 EFAA C[C@H]1COc2ccccc2N1C(=O)c1ccnc(NC(=O)C2CC2)c1 289127141 FZEGLWLNLRWGMZ-LBPRGKRZSA-N 337.379 2.858 0 50 EFAA CCC[C@@H]1C=CCN1C(=O)Nc1cc(-c2nnn(C)n2)ccc1C 426509304 FXZGTXHMYNTNDL-CQSZACIVSA-N 326.404 2.758 0 50 EFAA O=C(CCc1ccccc1F)NC1CCN(C(=O)N2CCCC2)CC1 222301855 VNHILHSEPPGRLJ-UHFFFAOYSA-N 347.434 2.555 0 50 EFAA O=C(c1cnccn1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82106708 UKCKFVJYVVLQBK-KRWDZBQOSA-N 347.422 2.741 0 50 EFAA Cc1cc(C)n(CCNC(=O)N(C)CCn2ccc3ccccc32)n1 426523764 ZVPOZUFUUGBODF-UHFFFAOYSA-N 339.443 2.796 0 50 EFAA CCOC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95390351 JBLCWTJWWJVPDS-GVDBMIGSSA-N 336.382 2.983 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCC(n3ccnc3)CC2)s1 292565062 YJNCADHJFVDGML-UHFFFAOYSA-N 325.459 2.587 0 50 EFAA CN1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 91411872 SPVARHQPOAIAKF-KRWDZBQOSA-N 348.512 2.680 0 50 EFAA CN1CC[C@H](CNC(=O)c2cccc(-c3ncn[nH]3)c2)c2ccccc21 161900936 LQDRGOPIVZNWQA-MRXNPFEDSA-N 347.422 2.825 0 50 EFAA COCCN1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 91526183 OOPGVUJMIVXPFG-SFHVURJKSA-N 348.462 2.575 0 50 EFAA O=C(O)[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)C[C@H]1C1CC1 91782075 JKFFEXCSEUETIS-ZWKOTPCHSA-N 332.419 2.837 0 50 EFAA OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCCC1 22932558 GSLCEGXHATUZHB-SFHVURJKSA-N 346.471 2.617 0 50 EFAA CC(C)N1CCC[C@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 95381883 JMUCOBRJJUBQGL-KRWDZBQOSA-N 347.478 2.985 0 50 EFAA C[C@@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccncc1 180291608 BQJCBBYTHWYKJZ-ZBFHGGJFSA-N 333.432 2.908 0 50 EFAA Cc1cc(CC(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)on1 244646895 GRBMBAPAYFPRBE-UHFFFAOYSA-N 338.411 2.987 0 50 EFAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(=O)[nH]n1 295810360 OEJONCTYDDFSGL-VIFPVBQESA-N 340.210 2.572 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)no1 299788672 WIAMMCOMVSKQLP-LBPRGKRZSA-N 346.383 2.953 0 50 EFAA Cc1cc(NC(=O)NCCn2cc(Cl)cn2)n([C@@H](C)C2CC2)n1 299794166 IGWQPMLSRXEISM-NSHDSACASA-N 336.827 2.834 0 50 EFAA CC(C)n1cnnc1CCNC(=O)CSc1ccc(Cl)cc1 299773014 CSDMCJBSUNDCSE-UHFFFAOYSA-N 338.864 2.963 0 50 EFAA Cc1cnn(CC(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 299792914 GSEOEMKTRAQGEK-INIZCTEOSA-N 341.390 2.961 0 50 EFAA Cc1ncn(CCNC(=O)N(Cc2ccncc2)CC(C)C)c1C 670434040 OUJVDCBPHJYVHU-UHFFFAOYSA-N 329.448 2.763 0 50 EFAA CCC[C@@]1(C)C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 187335495 ADIJXKAHQCMNGD-SFHVURJKSA-N 331.391 2.971 0 50 EFAA CN(C(=O)CCc1cccc2c1OCO2)c1nc2ccccc2n1C 186742726 VMQWUERGUBCTJJ-UHFFFAOYSA-N 337.379 2.898 0 50 EFAA CCCNc1ccccc1NC(=O)[C@H](C)n1c(C)cc(O)cc1=O 170611298 OVVUFFLCPJDEBS-ZDUSSCGKSA-N 329.400 2.884 0 50 EFAA O=C(c1cc(C(F)(F)F)cnc1O)N1CCC(OCC2CC2)CC1 635632246 MKHRDGNVASRTGH-UHFFFAOYSA-N 344.333 2.837 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)CCO1 188154584 OBAQFSVKDMHQET-RDTXWAMCSA-N 336.432 2.673 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)N[C@H](c1ccccc1)[C@H]1CCCO1 188337058 JGZXKVAGVCUMFP-UYAOXDASSA-N 339.439 2.868 0 50 EFAA COCc1ccccc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 188850991 ONWRTXMLDVMHPI-CYBMUJFWSA-N 328.416 2.765 0 50 EFAA C[C@@H](Oc1ccc(C(=O)N2CCC[C@@H]2C(N)=O)cc1)c1ccccc1 191822573 BFCCDRGJSYCXNE-RDTXWAMCSA-N 338.407 2.917 0 50 EFAA CC[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C)cc1 193180969 ARVLQXKUBABHCB-KRWDZBQOSA-N 339.443 2.768 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N2CC([C@@H]3CCOC3)C2)c(C)n1 655041782 YLDNWIRPCQSKKJ-IUODEOHRSA-N 331.460 2.644 0 50 EFAA O=C(CCCc1cccs1)N[C@H]1COC[C@@H]1Cc1ccncc1 1616080607 SKLICLRPIHZMIB-RDJZCZTQSA-N 330.453 2.840 0 50 EFAA CC(=O)NCCC(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C 1506406623 FEPGDKQJMJHABQ-UHFFFAOYSA-N 328.416 2.770 0 50 EFAA CCc1noc(NC(=O)[C@@H]2CC(=O)Nc3c(OC)cccc32)c1C 1506409178 VSRHDRYARRMLBZ-LLVKDONJSA-N 329.356 2.619 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CN(C)Cc3ccc(C)cc3)C[C@@H]21 1704358291 IITSLHJXEIDBAX-SVFBPWRDSA-N 344.499 2.826 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)n2nc(C)c(C)cc2=O)cc1Cl 1848442527 WSMSEKIXAAKUAP-LLVKDONJSA-N 335.791 2.722 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 5473469 USZMRUGXNNGWLG-LBPRGKRZSA-N 340.217 2.864 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCC1 12476906 UPUYBYQDCSKMRD-ZDUSSCGKSA-N 340.345 2.723 0 50 EFAA COc1ccc(Cl)cc1NC(=O)Cn1ncc2ccccc2c1=O 12904383 BRRZWOASLSCEEP-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA Cc1ccc(C(=O)NCCCc2ccccc2)cc1NS(C)(=O)=O 13671207 QMOCJCNPLWFFHX-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA CC(C)Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 15071544 KOZZIGBJDMLTSD-UHFFFAOYSA-N 340.427 2.981 0 50 EFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccco4)n3n2)cc1 169778446 ZCZSTJFUNHEYHS-UHFFFAOYSA-N 333.351 2.623 0 50 EFAA COc1ccc(N2CCN(C/C=C/c3ccccc3OC)CC2)cn1 1857679164 YBSSNLDRLRPYFY-FNORWQNLSA-N 339.439 2.934 0 50 EFAA Cc1sc2ccccc2c1CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857696106 MTSOTAMHVUBTOU-PKOBYXMFSA-N 344.480 2.673 0 50 EFAA Cc1ccc(Cl)cc1C(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857718891 YKHMQLZERLCWCR-DODZYUBVSA-N 348.874 2.830 0 50 EFAA Cc1ccc(CCC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)o1 328609234 COAXGRNOAOSHPB-AWEZNQCLSA-N 333.388 2.627 0 50 EFAA CCc1oc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1C 328612602 PJXJZZXVYOECTF-CQSZACIVSA-N 333.388 2.871 0 50 EFAA CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1 408517927 PJVTWDJCUBYEMM-HNNXBMFYSA-N 349.818 2.584 0 50 EFAA NC(=O)CN(Cc1cccc(Br)c1)C1CCSCC1 408516270 DNGUOVCZGZAJFA-UHFFFAOYSA-N 343.290 2.632 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 333626249 AGKADZQIWMGYIL-LBPRGKRZSA-N 343.518 2.847 0 50 EFAA Cc1cc(CCC(=O)N2CC[C@@H](C(=O)O)C2)ccc1Br 237600278 MVNZCOCKMRYKMC-GFCCVEGCSA-N 340.217 2.623 0 50 EFAA Cc1cccc(-c2nc(CC(=O)N3CCC[C@H]3C(=O)O)cs2)c1 237815696 HGTMHHMIGJAXMH-AWEZNQCLSA-N 330.409 2.737 0 50 EFAA Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]([C@@H](C)O)C3)c2C)cc1 650528170 WKLHOCSDSZJWDW-CABCVRRESA-N 328.416 2.724 0 50 EFAA CC(C)Cc1ccc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 11880196 UZRUFRKMSIKDBN-HXUWFJFHSA-N 343.471 2.695 0 50 EFAA CC(C)c1ncc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)s1 134019353 VHHBFWIHFVHQMO-UHFFFAOYSA-N 346.456 2.679 0 50 EFAA CN[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 150991262 YSQPVFFBMUGLEM-MRXNPFEDSA-N 336.863 2.599 0 50 EFAA Cn1cc(CNC(=O)N[C@@H]2CCCc3occc32)c(C(F)(F)F)n1 151716732 GBYMEPQTPWLKAZ-LLVKDONJSA-N 342.321 2.909 0 50 EFAA COc1cccc(CN2CCO[C@H](c3nnc(C(C)C)o3)C2)c1F 370299332 SKNBUCSJLSZAJZ-AWEZNQCLSA-N 335.379 2.914 0 50 EFAA O=C(CN1Cc2ccccc2C1=O)N1CC[C@H](Cc2ccccc2)C1 266040341 CFLOGTRSYCLQER-QGZVFWFLSA-N 334.419 2.734 0 50 EFAA O=C(O)COc1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1 901431952 ZHONTCTYGXAQOB-GOSISDBHSA-N 345.370 2.863 0 50 EFAA CCn1cc(NS(=O)(=O)c2cscc2C(F)F)ccc1=O 901855010 IDGRWTMKKLMUQU-UHFFFAOYSA-N 334.369 2.668 0 50 EFAA Cc1cc2c(cc1CN1CCC3(CC1)C[C@](C)(O)CCO3)OCO2 1704325487 NCROAPUCENHXPV-GOSISDBHSA-N 333.428 2.620 0 50 EFAA O=C(NCC1(c2cccc(F)c2)CCC1)c1cc2n(n1)CCCC2=O 830867956 ZDOKRAVISMYVJM-UHFFFAOYSA-N 341.386 2.850 0 50 EFAA COc1cc2c(cc1OC)C1(CCC1)N(Cc1nonc1C)CC2 932085096 SLXOPSBEDWEINJ-UHFFFAOYSA-N 329.400 2.833 0 50 EFAA CCOc1ccc(CN2CCOC[C@@H]2c2ccc(COC)o2)nc1 932332469 XJPXDSJZBTVIDW-QGZVFWFLSA-N 332.400 2.793 0 50 EFAA C[C@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc(-c2ccccc2)cc1 864096839 JQNOAOSVIUVUJI-IEBWSBKVSA-N 326.396 2.703 0 50 EFAA Cc1csc2nc(/C=C/c3cn(C[C@H]4CCCO4)nn3)nc(O)c12 865221604 HOPLGXWLUBRILR-ZYOFXKKJSA-N 343.412 2.646 0 50 EFAA CCCN1CCC[C@@H](c2nc(-c3cnn4c(C)cc(C)nc34)no2)C1 952850304 WWNJQUPQURIQMJ-CQSZACIVSA-N 340.431 2.986 0 50 EFAA CC1(c2nnc(-c3ccccc3F)o2)CN(CCC2(O)CCC2)C1 952893819 WTVMDZSFGFJPIK-UHFFFAOYSA-N 331.391 2.754 0 50 EFAA CC[C@]1(C)CCCN(Cc2nc3ncc(Br)cn3n2)C1 952994239 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333.391 2.647 0 50 EFAA Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 95844 SRIOJLSHFSFJAN-UHFFFAOYSA-N 334.348 2.870 0 50 EFAA Cc1ccc(-c2noc(CN3CCN(c4ccccn4)CC3)n2)cc1 203405 QNIPNJYTCQTSJS-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(C)s2)c(OC)c1 350980 AZASOBXJMSQCCJ-UHFFFAOYSA-N 325.415 2.595 0 50 EFAA Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1 390384 YGWDYBHTEMNEJH-UHFFFAOYSA-N 325.397 2.702 0 50 EFAA O=C(C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1 859848 KFZRFBNURVYFEP-UHFFFAOYSA-N 340.423 2.854 0 50 EFAA COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1 1062634 KYYJFXPJGCKKBT-UHFFFAOYSA-N 339.351 2.684 0 50 EFAA CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1164375 KBGQJYGPGQZLIL-UHFFFAOYSA-N 338.816 2.599 0 50 EFAA O=C(O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 4668539 QSAMXYYSGGMNTJ-UHFFFAOYSA-N 331.821 2.509 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 4865964 MEACCDYDYGCTLV-UHFFFAOYSA-N 347.802 2.854 0 50 EFAA CC1CCN(CCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 7728740 PGQSIACPMBLJGG-UHFFFAOYSA-N 330.881 2.740 0 50 EFAA Cc1ccc(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)o1 225722211 IWRFQNLGIWHECV-UHFFFAOYSA-N 327.340 2.595 0 50 EFAA Cc1cc(C)c2c(c1)NC(=O)[C@@H]2CC(=O)NCCc1ncccc1C 102379184 MNEXFIUKEWMBQU-OAHLLOKOSA-N 337.423 2.792 0 50 EFAA COc1ccnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 106859593 NCKXGBJNOWBSAB-UHFFFAOYSA-N 338.411 2.570 0 50 EFAA O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 247756349 XNGAAZYGCNSYLQ-ZWKOTPCHSA-N 342.418 2.507 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1nc(C(C)C)no1 248149652 AWWSESHCNQPKRD-JKSUJKDBSA-N 348.491 2.991 0 50 EFAA CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 248539116 AKXFDJKJXUVDPB-DUVNUKRYSA-N 343.427 2.544 0 50 EFAA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1cccc(Br)c1 2505804 SYAKLHHMWLLBQU-QMMMGPOBSA-N 340.095 2.643 0 50 EFAA CC(=O)Nc1ccnn1C1CCN(c2cnc3ccccc3n2)CC1 67803346 VMJDICFSVDIPEC-UHFFFAOYSA-N 336.399 2.626 0 50 EFAA O=C1CCCCCN1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 67894211 SBVULRCYXMVGMV-QGZVFWFLSA-N 348.418 2.518 0 50 EFAA CCn1c(CC2CCN(Cc3nc(C(C)C)cs3)CC2)n[nH]c1=O 65460971 INCYZVKATFFXKP-UHFFFAOYSA-N 349.504 2.626 0 50 EFAA CNc1ncccc1CN1CCN(c2nc3cc(C)ccc3o2)CC1 65371670 VZKCPPWDHWKDDJ-UHFFFAOYSA-N 337.427 2.895 0 50 EFAA CCn1cc(CNC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cn1 229656596 VJGHFVHLHGMBCU-HOCLYGCPSA-N 334.489 2.516 0 50 EFAA CC(C)c1ccoc1-c1noc(C2CCN(S(C)(=O)=O)CC2)n1 331652409 ZRHZKABQQZQRBW-UHFFFAOYSA-N 339.417 2.592 0 50 EFAA O=C(CSc1nnc(S)s1)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 121537246 ZZXOHKUZLXQZQW-WZRBSPASSA-N 349.506 2.621 0 50 EFAA O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(-n2ccnc2)c1 172032547 YMQREIZKPCEMRL-UHFFFAOYSA-N 349.390 2.616 0 50 EFAA CCCc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)n(C)n1 77342582 KGRKLEWUSBKCQF-UHFFFAOYSA-N 326.444 2.643 0 50 EFAA CCCCNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1cccs1)CC2=O 71376508 GRJWEMLMMPLFKQ-LLVKDONJSA-N 344.436 2.879 0 50 EFAA COc1ccc(F)c(F)c1CN1CCC(O)(c2cccnc2)CC1 216048224 AQOAYPKMDCDZOY-UHFFFAOYSA-N 334.366 2.852 0 50 EFAA F[C@H]1C[C@@H](CNCc2cccc3[nH]ccc23)N(c2cccnn2)C1 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CN1CCC[C@H](C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 230541839 PCRKHWPBVPDYPS-LBPRGKRZSA-N 334.851 2.607 0 50 EFAA O=C(NC1=NC=C[CH]S1)c1ccccc1I 334159415 JKXIBUDTGIJFNK-UHFFFAOYSA-N 343.169 2.799 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)CC1 95523181 XUMUKHGUEGMMGF-OAHLLOKOSA-N 338.835 2.702 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cccc(OC)c2OC)C1 91792971 SFLGSYXACPEANA-LJQANCHMSA-N 349.427 2.740 0 50 EFAA COCc1nsc(NCc2ccc(N3CCC(C)CC3)nc2)n1 267437864 YCYHNGMLQDZMMQ-UHFFFAOYSA-N 333.461 2.928 0 50 EFAA COCCc1nc(CCc2ccncc2)n(-c2cccc(F)c2)n1 96136943 NAEIIBOQRFTKEF-UHFFFAOYSA-N 326.375 2.776 0 50 EFAA CNc1ncc(C(=O)N(Cc2ccccc2C)C[C@@H]2CCCO2)cn1 97425634 SARFZXHAAFZPJH-KRWDZBQOSA-N 340.427 2.648 0 50 EFAA CCOc1ccc(C(C)=O)cc1NC(=O)N(C)CCc1cnn(C)c1 95509072 MWYYZBAMMMLQHG-UHFFFAOYSA-N 344.415 2.728 0 50 EFAA COc1ncc(NCc2cccc3c2OC(C)(C)C3)cc1C(N)=O 182590814 XHTRJYRPJJBTGS-UHFFFAOYSA-N 327.384 2.515 0 50 EFAA CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCO[C@H](CC(=O)O)C1 299742267 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WDXNVJFWRMUHEN-NSHDSACASA-N 348.834 2.868 0 50 EFAA O=C([C@H]1CCc2ccccc21)N1CCCN(c2ncccc2F)CC1 784208378 MMXMXQRBQIFNOJ-KRWDZBQOSA-N 339.414 2.989 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)n1 275664679 VGUHTLZTVDMASY-KRWDZBQOSA-N 349.438 2.628 0 50 EFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=COCCC1)CC2 275675847 LWSXXJSTNDHSAU-HNNXBMFYSA-N 347.484 2.650 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc([C@@H]4C[C@H]4C)o3)C2)n1 275711248 YHECAYBPQDWBKT-IIAWOOMASA-N 342.443 2.796 0 50 EFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1nccn2cnnc12 275827509 NTDYYKCPPSEVKY-BXUZGUMPSA-N 329.791 2.744 0 50 EFAA CC(C)(CN[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1F 186566281 HDRKWKCZNSMZFG-NSHDSACASA-N 333.856 2.924 0 50 EFAA CCCC(=O)N1CCCN(c2nc(-c3cccc(OC)c3)no2)CC1 170642778 UHANPSFLEGJYPY-UHFFFAOYSA-N 344.415 2.584 0 50 EFAA C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cn2)C[C@@H](C)O1 279604579 DXBNMQXPSNLNTO-AXFHLTTASA-N 342.237 2.724 0 50 EFAA Cn1cccc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280115830 RVHMKTPBPDYARX-NHYWBVRUSA-N 338.329 2.992 0 50 EFAA Cc1ncc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)c(C(C)C)n1 188148259 YLCVEWSQSBCIHW-UHFFFAOYSA-N 337.383 2.923 0 50 EFAA Cc1ccsc1S(=O)(=O)Nc1cc(F)c(C(=O)O)c(F)c1 743262357 PUGAMECHTGTELR-UHFFFAOYSA-N 333.337 2.834 0 50 EFAA CC(C)(CNC(=O)[C@@H]1COCCN1C1CCCC1)c1cccc(F)c1 189899792 CVLXHTIGXFUMJR-SFHVURJKSA-N 348.462 2.863 0 50 EFAA COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1-c1ccccn1 192415793 KKNQLFBPKZDTLF-UHFFFAOYSA-N 340.379 2.694 0 50 EFAA CC(F)(F)C(C)(C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 656186452 AKDWVPQVONBBSK-UHFFFAOYSA-N 335.372 2.560 0 50 EFAA NC(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CCC[C@H](C3CC3)C1)C2 665188006 ICYOADKZKMYMOT-GOEBONIOSA-N 341.455 2.822 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)c1 869284607 HKCSPOHEWDQUBM-CQSZACIVSA-N 328.412 2.985 0 50 EFAA C[C@@H](C(=O)N1CCCN(Cc2ncc[nH]2)CC1)c1ccc(Cl)cc1 1529166919 DTHHDOJMQGZALA-CQSZACIVSA-N 346.862 2.901 0 50 EFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3ccccn3)CC[C@@H]21 215254582 GMEWCSIIGDUDKA-AEFFLSMTSA-N 343.471 2.654 0 50 EFAA Nc1cc(-c2ccc3c(c2)OCCO3)nn1-c1nc2ccccc2[nH]1 1848444077 ILXPUMJGYWZPDC-UHFFFAOYSA-N 333.351 2.769 0 50 EFAA COC(=O)Cn1c(=O)c(CN2CCCCC2)cc2ccc(Cl)cc21 11996260 IPOLDUHUOHMMFU-UHFFFAOYSA-N 348.830 2.814 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@]1(O)CNC1CCCCC1 12704840 NVCFRYYNKNVPOC-IBGZPJMESA-N 334.435 2.602 0 50 EFAA CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O 14968883 WPHHFLLKBZHKIJ-UHFFFAOYSA-N 328.334 2.790 0 50 EFAA COc1ccc(C[C@]2(CCC(=O)NC(C)(C)C)CCC(=O)N2)cc1 15071937 NAKJUNIYIIURJB-IBGZPJMESA-N 332.444 2.581 0 50 EFAA CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 16731645 JGDINQIENAQHSO-CQSZACIVSA-N 346.452 2.703 0 50 EFAA C/C(=C\COc1cc(=O)[nH]c2ccccc12)CC[C@H](O)C(C)(C)O 4492887 PBWIOAMUZKICDN-RTGRKSDTSA-N 331.412 2.765 0 50 EFAA biogenic,in-vitro O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc2c1NCCC2 220273050 UQTSJIHZBLQQSI-KHYOSLBOSA-N 337.423 2.682 0 50 EFAA O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857707564 CZCHCLDDXVJQQF-HRCADAONSA-N 335.835 2.713 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn2nccc2c1 1857710047 FREYEZODEQAWCE-UHFFFAOYSA-N 333.351 2.657 0 50 EFAA CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cc[nH]c2C)c1 412485094 FVVUSFWXHYREHL-UHFFFAOYSA-N 340.832 2.700 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)o1 328615445 YKWNKTBHQDLYOB-XHSDSOJGSA-N 341.411 2.897 0 50 EFAA C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1cc2cc(Cl)ccc2o1 123197497 FXOHQBQJKYTCGW-RKDXNWHRSA-N 329.805 2.697 0 50 EFAA Cc1ccc(-c2cnc(CCC(=O)N3CC[C@@H](C(=O)O)C3)o2)cc1 237730958 JCQYFBDUXIPYTC-CQSZACIVSA-N 328.368 2.516 0 50 EFAA O=C(c1sccc1Cl)N1CCN(c2ncccc2F)CC1 241739093 QZWVUXLQHPITQB-UHFFFAOYSA-N 325.796 2.898 0 50 EFAA CCOc1cccc(CCNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 136886842 IXQBGCVMQIPNHK-GOSISDBHSA-N 342.443 2.908 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@]2(O)CCCC[C@@H]2C1 151387790 YCYBMOBWYKZMNU-DNVCBOLYSA-N 347.459 2.813 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)c1cccc(F)c1 152036978 LAQPZHJINSCASX-GUYCJALGSA-N 329.371 2.830 0 50 EFAA Cc1ccc2oc(C(=O)N3CCC(c4nc(C)no4)CC3)cc2n1 264099790 BZPAPXGYHMVBET-UHFFFAOYSA-N 326.356 2.847 0 50 EFAA O=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1ccnn1C1CCC1 901905648 CULGKOYKBSNZPG-UHFFFAOYSA-N 343.412 2.799 0 50 EFAA Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)oc1C(=O)O 911197998 PBKYAVNBXXOEAI-OAHLLOKOSA-N 342.395 2.853 0 50 EFAA C[C@H](COCC(=O)N1CCC(c2cc(O)no2)CC1)c1ccccc1 1875296016 GBKRMHHXXNSNJA-CQSZACIVSA-N 344.411 2.907 0 50 EFAA C[C@H]1C[C@H](CO)CN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 1875294594 KGUNHLHKRHDUBY-QWRGUYRKSA-N 338.333 2.765 0 50 EFAA CCc1ccc(S(=O)(=O)NC[C@@H]2COCc3ccccc32)cc1 1875299632 QFMWJIXFKACJDF-MRXNPFEDSA-N 331.437 2.841 0 50 EFAA O=C(O)c1cn([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)nn1 1875283123 GYYLPQNEJRCCCP-LLVKDONJSA-N 338.770 2.606 0 50 EFAA Cn1nc(C(F)(F)F)cc1CN1C[C@H](C(=O)O)C2(CCCC2)C1 1875291198 RABGRIWMLZDJDT-LLVKDONJSA-N 331.338 2.516 0 50 EFAA FC1(F)CC[C@H]2C[C@@]21CN1CC(c2ccnc(-c3ncccn3)n2)C1 1875356656 OUYAKVOSAFTVSG-SUMWQHHRSA-N 343.381 2.768 0 50 EFAA O=C(C[C@@H]1OCCc2ccsc21)NCc1n[nH]c2c1CCCC2 1775988293 ZAQDYDRJVRIPDM-HNNXBMFYSA-N 331.441 2.670 0 50 EFAA COCc1nc(CN2CCc3c(C)cccc3[C@H]2C(=O)O)cs1 1777241707 XMIFLTKNWYZOMS-INIZCTEOSA-N 332.425 2.782 0 50 EFAA CC1CCC(OCC(=O)O[C@@H](C)c2cccc(-n3cnnn3)c2)CC1 2325742822 HYXZJAWXRHINQX-UUCFBXCCSA-N 344.415 2.862 0 50 EFAA C[C@H]1c2ccccc2C[C@H]1C(=O)NCc1ccccc1Cn1cncn1 2325792426 AKYSSKSQTRSFIS-MGPUTAFESA-N 346.434 2.919 0 50 EFAA Cc1cnc([C@H](C)N2CC[C@@H](NC(=O)c3ncccc3C)[C@H](C)C2)o1 2325838989 FNRHYBOXYCRVHT-VNQPRFMTSA-N 342.443 2.888 0 50 EFAA NCc1ncc(C(=O)Nc2ccc3nc(C(F)(F)F)cn3c2)s1 2325857815 QGWIADLZDKWTTC-UHFFFAOYSA-N 341.318 2.521 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1 45536 HBYRTPWYVCHCLR-MRXNPFEDSA-N 346.180 2.862 0 50 EFAA c1cncc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 383150 IIQSWMOSEIWLSG-ZDUSSCGKSA-N 337.364 2.760 0 50 EFAA Cc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 389222 DEWSAVZYNJJKEQ-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2cn(C)nc2C)cc1 609499 ORRUMSHEZKWEDN-NSHDSACASA-N 346.456 2.953 0 50 EFAA COc1cc(S(=O)(=O)NC2CCCC2)ccc1Br 1069160 LQRHZAKFQYDLPX-UHFFFAOYSA-N 334.235 2.679 0 50 EFAA CCCOc1ccc(OCCN2CCC[C@@]23CCCNC3=O)cc1 2356149310 UIVYIISBONOXTI-LJQANCHMSA-N 332.444 2.599 0 50 EFAA COCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 2967108 BNURWUDMZZATPM-UHFFFAOYSA-N 328.368 2.570 0 50 EFAA CC(C)CSc1nnc(NC(=O)[C@@H]2CCn3nccc3C2)s1 2356167020 RLDXREHEBSAZDB-SNVBAGLBSA-N 337.474 2.684 0 50 EFAA O=C(O)C[C@H](CC(=O)Nc1ccccc1C(=O)O)c1ccccc1 4200106 BRUWDXKHZFLFIC-ZDUSSCGKSA-N 327.336 2.972 0 50 EFAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1sc2cc(F)ccc2c1Cl 4276592 RXMUVZSHZSJGRG-MRVPVSSYSA-N 347.820 2.611 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 6703824 RTCFZTHHNZKYJG-UHFFFAOYSA-N 328.800 2.901 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)NCCCSc1ccccc1 7291308 PMMXBWHSCSDXSG-UHFFFAOYSA-N 342.420 2.893 0 50 EFAA CN1CCO[C@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 105279924 MVZSORIDAYFVDV-LJQANCHMSA-N 345.487 2.514 0 50 EFAA C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(Cl)cc1Cl 134382739 XTRIMRCMUIIUNV-ZWNOBZJWSA-N 347.242 2.675 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCCN(Cc2cccs2)CC1 68276451 HOWJMRPRHGKRRH-UHFFFAOYSA-N 340.452 2.744 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 174436488 VFSZAWCFVHJBHE-OAHLLOKOSA-N 341.459 2.565 0 50 EFAA CCc1noc(CN(CC)C(=O)c2ccccc2N2CCCC2)n1 65403292 CZRGTIDPSZJGDA-UHFFFAOYSA-N 328.416 2.895 0 50 EFAA CC(=O)Nc1ccsc1C(=O)N1Cc2cnc(CC(C)C)nc2C1 67726924 SZIXDIYPLXAIKK-UHFFFAOYSA-N 344.440 2.851 0 50 EFAA O=C(NCc1nc2ccccc2s1)N[C@@H]1CCN2CCCC[C@@H]12 229145802 VQURZFQCCCDXRQ-OCCSQVGLSA-N 330.457 2.722 0 50 EFAA CN1C[C@H](N[C@H]2CCCOc3cc4c(cc32)CCCC4)CCC1=O 126716688 QVDSIABCQAGWGE-AEFFLSMTSA-N 328.456 2.990 0 50 EFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C2CCC2)C1 252516516 TUADLELGQVSNMV-RDBSUJKOSA-N 334.489 2.729 0 50 EFAA CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CCOc1ccccc1 11714573 YOYQVGUUBPLYRS-MRXNPFEDSA-N 340.427 2.505 0 50 EFAA COc1cccc(C(=O)N2CCN(C[C@H]3CCOC(C)(C)C3)CC2)c1 72151127 KQPPUWKWPZBIMO-INIZCTEOSA-N 346.471 2.658 0 50 EFAA CCc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cnn(C)c2n1 72173808 AANKJGJIMCETJU-MRXNPFEDSA-N 347.426 2.976 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc2c(c1)CCCC2 216117291 ZHYZPUNAINASRB-SFHVURJKSA-N 325.412 2.815 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNc2nccn(C)c2=O)C1 253428370 KUFPJIHDZGNIPK-ZDUSSCGKSA-N 332.835 2.681 0 50 EFAA COCCC1(C)CN(C(=O)NCc2ccnc(OC3CCC3)c2)C1 358954350 OHIJDHCVCUKRBX-UHFFFAOYSA-N 333.432 2.581 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 172683093 RFLPKKBFXTTXRS-HNNXBMFYSA-N 345.443 2.731 0 50 EFAA O=C(Cc1coc2ccccc12)NC[C@@H]1CCCN1c1cccnn1 367596124 DORMXUIZMMNXCO-HNNXBMFYSA-N 336.395 2.551 0 50 EFAA Cc1ccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C(C)C)n1 333043072 FIGLDLYUTNKKNB-QGZVFWFLSA-N 343.471 2.890 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@@H](c2nccn2C)C1)c1ccccc1 376120199 YCEWLNIYYVLVPH-IAGOWNOFSA-N 342.443 2.697 0 50 EFAA 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2.844 0 50 EFAA Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C2CC2)no1 9143660 DFRLWTAGVFSVTN-UHFFFAOYSA-N 345.384 2.900 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cncnc2)C1 343851389 PBMLXDHHLQGYLZ-GFCCVEGCSA-N 325.338 2.609 0 50 EFAA CCOc1cccc(CN(CCO)C(=O)C2CCC(OC)CC2)c1 55369024 NKVHQERZISEUFC-UHFFFAOYSA-N 335.444 2.611 0 50 EFAA CCCCn1ncc(C)c1NC(=O)c1cc(C)n2nc(C)cc2n1 55089482 REDOKLLGHXSMAJ-UHFFFAOYSA-N 326.404 2.903 0 50 EFAA c1ccc(-n2nncc2-c2nc(C3CC3)nn2-c2ccccn2)cc1 65408867 KPYNFHKQMJDWJG-UHFFFAOYSA-N 329.367 2.787 0 50 EFAA CCCCc1ccc(-n2cc(CN(CC)[C@H]3COC[C@@H]3O)cn2)cc1 55344302 CFDVGRXNMYSKFC-PMACEKPBSA-N 343.471 2.797 0 50 EFAA CCN(C(=O)c1ccccc1NCC(=O)O)[C@@H]1CCOC(C)(C)C1 65506087 WZJUHCWLHHLBMY-CYBMUJFWSA-N 334.416 2.603 0 50 EFAA CO[C@H](Cc1ccccc1)c1noc(-c2cn(CC3CC3)nn2)n1 351139723 HXJVJUNCWMVANR-OAHLLOKOSA-N 325.372 2.668 0 50 EFAA Cc1nc([C@@H]2CCCN2CC(=O)N[C@H](C)Cc2ccccc2C)no1 253607388 QPYMKWWTFWBNQR-PBHICJAKSA-N 342.443 2.571 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 229351999 JMCXCANODSPKRJ-DLBZAZTESA-N 342.443 2.553 0 50 EFAA O=C(NCc1ccccc1CN1CCCC1=O)c1c(O)cccc1F 119672401 KDJPMJNCNABFAO-UHFFFAOYSA-N 342.370 2.584 0 50 EFAA O=C(NCC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1O 67692108 OIIQSPASHJNYBU-INIZCTEOSA-N 339.439 2.819 0 50 EFAA CCc1cnc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 428428700 AMOAYXGGGXVWLD-IBGZPJMESA-N 345.512 2.774 0 50 EFAA CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C 33087040 OUKPXNXCHTWJHG-LBPRGKRZSA-N 339.417 2.676 0 50 EFAA CN(c1cccc(C(=O)NCCC2=CCCCC2)c1)S(C)(=O)=O 65362329 LYEXRTFCIVDCRB-UHFFFAOYSA-N 336.457 2.703 0 50 EFAA O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ccncc1F 328621051 AEVXAANYWDXHJB-RYUDHWBXSA-N 337.395 2.625 0 50 EFAA O=C(Cn1nc(Br)nc1Br)c1ccccc1 1405613 DVXLIQUFJYKXNL-UHFFFAOYSA-N 344.994 2.686 0 50 EFAA CN(C)c1ccc(CC(=O)N[C@H]2CCCN(C3CCCC3)C2)cc1 219998363 PDLMJRJAWSYEAF-KRWDZBQOSA-N 329.488 2.818 0 50 EFAA CSC[C@@H](C)C(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 435712451 BNCPLIOKUZPGGS-SNVBAGLBSA-N 347.440 3.094 0 50 EFAA Cc1noc(C)c1CN(Cc1cccnc1)[C@@H]1CN2CCC1CC2 72145347 KHWXMEPNPMXQHF-LJQANCHMSA-N 326.444 2.783 0 50 EFAA C[C@H](c1ccco1)N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 72158963 FYEJCCYKJYGQAH-GFCCVEGCSA-N 328.347 2.892 0 50 EFAA CC(C)[C@@H]1CN(C(=O)NC2CCCCC2)CCC(=O)N1CC1CC1 71750354 BRPJHEKOUKOHBE-KRWDZBQOSA-N 335.492 2.998 0 50 EFAA COc1cccc(-c2cc(C(=O)N[C@@H]3COc4ccccc43)[nH]n2)c1 155948045 IHGOTQJHGWLHAC-QGZVFWFLSA-N 335.363 2.949 0 50 EFAA CCCc1n[nH]cc1C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 72477292 HAFCDXULZCTCLZ-UHFFFAOYSA-N 341.390 2.959 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCc2cn(C)nc2C)c1 450539816 MOSWHCAYHIYLFG-UHFFFAOYSA-N 343.305 2.566 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 374173900 QEZKHYYOAWDEKE-AXFHLTTASA-N 342.490 2.807 0 50 EFAA OC1(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 158152803 BOTFFAQHBLUSBK-HNNXBMFYSA-N 346.254 2.908 0 50 EFAA COCCCN(C(=O)c1cn(C)cn1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 337515871 PYFNZHIVORFYQC-RIUYPTKQSA-N 331.460 2.724 0 50 EFAA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2CCCC[C@H]2C1 245266886 KNUMYPWPQPYLBT-FMKPAKJESA-N 329.444 2.625 0 50 EFAA COc1ccc(CCC(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)cc1 219198979 HDXFYYLLNBNEGZ-MOPGFXCFSA-N 347.455 2.718 0 50 EFAA C[C@@H](C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 173071274 VCSGITNAHYMCAN-RHSMWYFYSA-N 342.418 2.847 0 50 EFAA CN(C[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)S(C)(=O)=O 285532019 HLIQCUGNFZHOIM-AWEZNQCLSA-N 336.457 2.536 0 50 EFAA Cc1ccc(O)c(-c2ccc(C(=O)N(C)[C@H](C)CC(N)=O)cc2)c1 426550123 YLZSFUHVRYIJSU-CYBMUJFWSA-N 326.396 2.704 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 263531590 MPOJASLSMQSOGD-TZMCWYRMSA-N 328.343 2.985 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c2cc(Cl)ccc2n1 426403475 JBNLJNRIJDTHQB-NHAGDIPZSA-N 330.771 2.599 0 50 EFAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(O)cc4)c(=O)n1c23 199908717 KZNMMUBHOBMZMQ-JTQLQIEISA-N 336.347 2.782 0 50 EFAA CCN(CC)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 42466116 OKVSBGYAKRMASP-UHFFFAOYSA-N 329.444 2.750 0 50 EFAA COc1cccc(OC2CN(C(=O)CCc3ccccc3OC)C2)c1 85533023 CKHKOIJFTSSINZ-UHFFFAOYSA-N 341.407 2.926 0 50 EFAA O=C(CSc1ccccn1)N(Cc1ccncc1)C[C@@H]1CCCO1 223199445 DXWLRGKWDWIWQW-INIZCTEOSA-N 343.452 2.777 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2c(C)cccc2C)cc1 46661988 NUIRCKQGRWKUHM-UHFFFAOYSA-N 343.379 2.873 0 50 EFAA O=C(Nc1ccc(N2CCCC2)cn1)c1ccnn1CC(F)(F)F 294322873 KENQSKCSMWKYLQ-UHFFFAOYSA-N 339.321 2.693 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1onc3c1CCCC3)C2 426580676 GMOHSTLWCAFONZ-LBPRGKRZSA-N 342.395 2.543 0 50 EFAA Cc1c(Cl)c(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)nn1C 95368340 MOHSQZNZXQXJOE-JTQLQIEISA-N 337.811 2.866 0 50 EFAA COCCCSc1nnc(CN)n1-c1cccc(C(F)(F)F)c1 426492773 IEUZCILOBBQCSY-UHFFFAOYSA-N 346.378 2.873 0 50 EFAA O=C(NCCOc1ccccc1F)[C@H](c1cccnc1)N1CCCC1 95368029 VRPZEQUZJKJUMC-SFHVURJKSA-N 343.402 2.553 0 50 EFAA O=C(COC[C@H]1CCCO1)N1CCC(Cc2ccc(F)cc2)CC1 92098320 QKEMFMUVPNXSNL-GOSISDBHSA-N 335.419 2.802 0 50 EFAA CC1CCN(CC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)CC1 95365618 RFODDCIEOTUYQB-GOSISDBHSA-N 344.455 2.823 0 50 EFAA CC[C@H](NC(=O)CC1CCN(C(C)C)CC1)c1cn2cccnc2n1 95517510 OICRHEKXCLLBPD-INIZCTEOSA-N 343.475 2.807 0 50 EFAA Cc1nn(C)cc1[C@H](C)NC(=O)c1ccn(CCc2ccccc2)n1 294553467 KKLWAMPBLMCZSE-AWEZNQCLSA-N 337.427 2.659 0 50 EFAA C[C@H](Cc1cnccn1)N(C)CCC(=O)Nc1ccc(F)cc1F 244724461 MUNXAWZOKIZKCZ-GFCCVEGCSA-N 334.370 2.646 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Cc1ccc(C)cc1 181315567 GPPAKUBIBDQMTJ-GDBMZVCRSA-N 326.444 2.979 0 50 EFAA COC(C)(C)[C@]12C[C@](O)(c3ccccc3)ON1[C@@H]1CCCC[C@H]1N2O 245247956 ZQPPYACZMBGYHZ-RWQQGDIJSA-N 348.443 2.606 0 50 EFAA COCc1noc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 182487594 ZOGLDZSGZOIKEU-GFCCVEGCSA-N 348.472 2.931 0 50 EFAA O=C(Cc1ccc(OC(F)F)cc1)NC1CCN(C2CCC2)CC1 297317781 YZIWHBVVPGXYOV-UHFFFAOYSA-N 338.398 2.964 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCOc3ccccc3C2)cc1 299742851 IXSLSSZGRVNHCQ-UHFFFAOYSA-N 325.364 2.739 0 50 EFAA Cc1nc2ncccn2c1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 822376039 CZGSXXCJXOSBDA-LBPRGKRZSA-N 349.394 2.805 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)NCc1n[nH]c2c1CCC2 827857654 PYQHPBVSKQUSSY-UHFFFAOYSA-N 338.436 2.881 0 50 EFAA COCCCCOC(=O)c1c(Br)nc2n1CCCC2 838446872 YWELNAMWTRBUFV-UHFFFAOYSA-N 331.210 2.565 0 50 EFAA Nc1nc(CCCNC(=O)c2cc(-c3ccsc3)[nH]n2)cs1 670472825 ZPDDYGIFFONQGE-UHFFFAOYSA-N 333.442 2.540 0 50 EFAA Nc1ccc(O)cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 670468755 SQQJIJLDFVRLMV-CQSZACIVSA-N 343.402 2.508 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc3c(s1)CCCCC3)C2 75971978 NSTYSLDNMNJTRM-KGLIPLIRSA-N 332.469 2.710 0 50 EFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccsc1 1565515897 KNQLPGXODKCCCL-HIFRSBDPSA-N 341.436 2.520 0 50 EFAA C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC=C(C(C)(C)C)CC1 270487717 UEAMXTKAYLDOKX-NSHDSACASA-N 335.477 2.693 0 50 EFAA COc1ccc(C(C)(C)c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 273916878 HUZTVWWVEUSGEL-GOEBONIOSA-N 343.427 2.940 0 50 EFAA NN1C(=O)c2ccccc2C12c1ccc(O)cc1Oc1cc(O)ccc12 169425842 CHYVTSCIBXXQJT-UHFFFAOYSA-N 346.342 2.825 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCC(=O)N2Cc3ccncc3C2)cc1 408516524 CHONQLHGLSWPPO-UHFFFAOYSA-N 337.423 2.651 0 50 EFAA COC(=O)CCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 170725983 XZUJQMQZJXUGSM-UHFFFAOYSA-N 343.261 2.647 0 50 EFAA Cc1cnccc1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 190509187 WFGDEZILBLCQGX-QGZVFWFLSA-N 339.443 2.771 0 50 EFAA O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1cc(F)ccc1O 751066095 WFZOFOUDPIULBZ-UHFFFAOYSA-N 338.338 2.994 0 50 EFAA O=C(O)C1(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCC1 668322923 KEORACZZIKGVCQ-CMPLNLGQSA-N 338.201 2.676 0 50 EFAA Cc1ccc(N2CCC(N[C@@H]3CCC(=O)N(C)C3)CC2)cc1Cl 1506411700 KBVNSQNNVHAGLA-OAHLLOKOSA-N 335.879 2.828 0 50 EFAA COC(=O)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 176836 VRBPKKJIKDIQST-GDNBJRDFSA-N 325.295 2.957 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cccc(Cl)c1C 1704316617 XNMVKMGFAHAKIE-UHFFFAOYSA-N 334.851 2.884 0 50 EFAA Cc1cccc2c(=O)c(C(=O)N3CCC[C@]4(CCC[C@H]4O)C3)c[nH]c12 1704297145 GAJWGZHFYKHIAD-OXQOHEQNSA-N 340.423 2.604 0 50 EFAA CC(C)c1ccc(-n2cc(CN(CCO)Cc3ncc[nH]3)cn2)cc1 1772702480 SFAPQIMEAUDYCG-UHFFFAOYSA-N 339.443 2.713 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775979475 IPJREKHBBYHZKZ-FQEVSTJZSA-N 337.423 2.855 0 50 EFAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(C2CCC2)CC1 11713716 JLRJZWHSYPKMPT-UHFFFAOYSA-N 344.455 2.983 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCCO1 11821185 BBZWNFGBVANEQX-INIZCTEOSA-N 328.368 2.678 0 50 EFAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCCC1 12380599 WGSXNJUQGOIESF-AWEZNQCLSA-N 338.473 2.583 0 50 EFAA O=C(NCC[C@H]1CCCCO1)c1cc(COc2ccccc2F)[nH]n1 12434417 PULHDYKKEJMOTH-CQSZACIVSA-N 347.390 2.817 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 13134757 UYVXZMOFVXGMKR-HUUCEWRRSA-N 326.396 2.583 0 50 EFAA O=C(c1cccc(-n2cccc2)c1)N1CCN(c2ccccn2)CC1 16638538 TXNADXHNFOSFDO-UHFFFAOYSA-N 332.407 2.835 0 50 EFAA 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EFAA Cc1ccc([C@@H](CC(=O)NCCOCCO)c2ccccc2)cc1 55309196 OWKAFFZWSXNQOX-IBGZPJMESA-N 327.424 2.642 0 50 EFAA O=C(NCc1ccco1)[C@@H]1[C@H]2CN(Cc3ccnc4ccccc34)C[C@H]21 102343027 BWOHVWJWCIPOSF-RUYXUALKSA-N 347.418 2.822 0 50 EFAA CCNC(=O)N1CCC(NCc2cc(C)c(OC(C)=O)c(C)c2)CC1 55242866 FXQUQDOPXCMYDN-UHFFFAOYSA-N 347.459 2.512 0 50 EFAA CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cnc2n1CCCC2 67908513 ZDXSVOHKFCDKNQ-UONOGXRCSA-N 346.475 2.879 0 50 EFAA CN(Cc1ccc2nsnc2c1)Cc1cccn1-c1ncccn1 65530747 SHMBGTRNGCUKAL-UHFFFAOYSA-N 336.424 2.904 0 50 EFAA O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1cccc(OC(F)F)c1 135561183 JXHVLWXQWVWHBI-UHFFFAOYSA-N 345.309 2.644 0 50 EFAA O=C(c1cccc(Br)c1)N1CCN(c2ccccn2)CC1 5062509 WPPKEPPTZDEWGC-UHFFFAOYSA-N 346.228 2.807 0 50 EFAA Cc1ccccc1-c1cccc(C(=O)N2CCC(O)(CO)CC2)c1 67695116 ZBFAQZMSKMEZMN-UHFFFAOYSA-N 325.408 2.621 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1F 348262590 RDVNPYQBCYBWIP-RDJZCZTQSA-N 347.361 2.850 0 50 EFAA C[C@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)CN1CCCC1 63769917 BMFCPPAZPLXHSJ-GOSISDBHSA-N 343.515 2.747 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1ccncc1)CC2)[C@H]1CCCO1 12076374 VYMCDDWLJHEQRM-LJQANCHMSA-N 337.423 2.757 0 50 EFAA Cc1nc2ccc(C(=O)N[C@@H](Cn3ccnc3)C(C)C)cc2nc1C 65371401 QEWHIEBCBZDRDC-SFHVURJKSA-N 337.427 2.898 0 50 EFAA COC[C@H](C)C1CCN(c2cc(C3CCNCC3)nc(C)n2)CC1 67909916 BGAOOSHNQFIESD-AWEZNQCLSA-N 332.492 2.751 0 50 EFAA COc1cc(-c2nc(Cn3ccnc3C)c(C)o2)cc2c1OCO2 67975345 XSPRQHUWQQIWSN-UHFFFAOYSA-N 327.340 2.941 0 50 EFAA Cc1nnc(NC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)s1 63856986 PIUQBPCRXTVZJE-HNNXBMFYSA-N 346.456 2.694 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)C1=NO[C@@H](c2ccccc2)C1 252512721 VBGNDTCYDZJVIH-HQPRLMJRSA-N 348.468 2.700 0 50 EFAA CSc1nc(C(=O)N2CCN(c3ccnc(C)c3)CC2)cs1 219980018 OMOIJGYVORWVSN-UHFFFAOYSA-N 334.470 2.531 0 50 EFAA Cc1cc(C)n(C[C@@H](C)Nc2nc(C(C)C)nc3c2cnn3C)n1 72142125 IWOPOYFQHUUPHI-GFCCVEGCSA-N 327.436 2.801 0 50 EFAA CCCc1n[nH]cc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328620406 GZAQBPJPDJJCIC-YJBOKZPZSA-N 341.459 2.522 0 50 EFAA CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 4511461 SMNZSPJBLJAWGS-UHFFFAOYSA-N 336.800 2.660 0 50 EFAA C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CCC(=O)c3ccccc31)C[C@@H](C)O2 329109270 PWBVQCSFAOOBRK-QRKDATQKSA-N 343.423 2.542 0 50 EFAA CCN(CC)c1ncccc1CNC(=O)c1scc2c1OCCO2 11955207 HYFXIQREBVGNKY-UHFFFAOYSA-N 347.440 2.691 0 50 EFAA OC[C@H](Cc1ccccc1)Nc1nccc(CCC(F)(F)F)n1 71745860 FSMWJAPKPXGQEB-AWEZNQCLSA-N 325.334 2.987 0 50 EFAA CCc1nn(C)c(Cl)c1CN(Cc1cocn1)Cc1cocn1 216387540 GCWBWFWEEAHDKX-UHFFFAOYSA-N 335.795 2.814 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCOC[C@H]1c1ccccc1 253430880 GCVGYZIKHUFCHC-ZDUSSCGKSA-N 337.301 2.709 0 50 EFAA CCc1cc(C(=O)NC[C@@]2(C)OCCc3sccc32)cc(O)n1 359276409 CSEJCZXGDVVDBI-QGZVFWFLSA-N 332.425 2.629 0 50 EFAA CC(C)NC(=O)c1ccnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1 71753012 RARMJMHPLNIKDA-QGZVFWFLSA-N 343.402 2.937 0 50 EFAA Cc1nnc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)o1 331812852 LOIOLKAXLZXMDB-JTQLQIEISA-N 329.326 2.510 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1 153997879 MGQBBINSUZNEBC-OAHLLOKOSA-N 340.383 2.635 0 50 EFAA Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cc1C 72117261 XRLAFERKBCLIOY-UHFFFAOYSA-N 339.443 2.536 0 50 EFAA COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)on1 155353416 NXWUHXARTCUNNQ-UHFFFAOYSA-N 343.383 2.916 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(CO)c1 366333023 PRSKMJBUPONKKK-OAHLLOKOSA-N 328.387 2.574 0 50 EFAA Cc1ncoc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72428692 IXXIPDBIOMLQFF-UHFFFAOYSA-N 329.444 2.710 0 50 EFAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H]1C[C@]12CCOc1ccccc12 332856936 DLSHLAIQKUNXIC-VLIAUNLRSA-N 349.390 2.625 0 50 EFAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Nc2cccc3[nH]ncc23)c1 156304254 OGVRRXPFQCIECQ-UHFFFAOYSA-N 349.343 2.509 0 50 EFAA CCOc1cccc([C@@H](C)NC(=O)N2CC(F)(F)C[C@H]2CO)c1 368713384 VISIZYRWENVUNA-YPMHNXCESA-N 328.359 2.558 0 50 EFAA Cc1cc([C@@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c(C)s1 156675982 CPFMKSCGIOCJPO-ZWNOBZJWSA-N 346.518 2.506 0 50 EFAA CCOC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn23)CC1 72440679 FXNAYFBPMXHBFN-UHFFFAOYSA-N 345.447 2.941 0 50 EFAA C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)c2nccn21 333235091 OZHFSLICYDLQRH-HONMWMINSA-N 330.363 2.851 0 50 EFAA N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1 333266249 JMRDWHJFPHOCBW-RTBURBONSA-N 328.456 2.534 0 50 EFAA Cc1ccccc1-n1cc(CN2CCC[C@@H](N3CCCC3=O)C2)cn1 71404012 VLDBXENNBXLVQF-GOSISDBHSA-N 338.455 2.768 0 50 EFAA O=C(Cc1ccco1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 370659696 FALXJFFNKXUNIP-UHFFFAOYSA-N 327.306 2.970 0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)N[C@H](C)c2ccc(F)cc2F)C1 263101485 AZPLIXOMVFSKLF-GMTAPVOTSA-N 326.343 2.778 0 50 EFAA CNc1nc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)cs1 77318939 RUHHWPHHSJWEJG-ZDUSSCGKSA-N 330.457 2.844 0 50 EFAA C[C@@H](c1ccc(C(=O)NCc2ccc(O)nn2)cc1)C(F)(F)F 456036432 SLXUWPDQUSRBNT-VIFPVBQESA-N 325.290 2.778 0 50 EFAA CC(C)OC(=O)NC[C@]1(O)CCCN(C2Cc3ccccc3C2)CC1 72163791 BYTKPEPPHDCPJO-FQEVSTJZSA-N 346.471 2.505 0 50 EFAA CC(C)c1cc(C(=O)N[C@H](C)CCc2ccccc2)nc2ncnn12 216088556 RHPFRBOVGWAESP-CQSZACIVSA-N 337.427 2.999 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1F 238027032 VURRXOKTHQYSMQ-QGZVFWFLSA-N 327.355 2.796 0 50 EFAA C[C@H]1C[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCO1 262941513 HSKGNSLWPMTLBK-WMLDXEAASA-N 345.439 2.981 0 50 EFAA CC[C@@H](c1ccc(F)cc1F)N1CCN(CCCC(=O)O)CC1 173856923 SKACGPPJLDQESL-INIZCTEOSA-N 326.387 2.898 0 50 EFAA CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc2cccnc2[nH]1 496036023 LRSZLRFXIOTSKI-CQSZACIVSA-N 344.415 2.646 0 50 EFAA CCCc1sc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1CC 174455960 YWFVHMSVHPQFFH-UHFFFAOYSA-N 345.468 2.555 0 50 EFAA O=S(=O)(Cc1ccccc1)NCc1nnc(-c2ccccc2)s1 131113474 BQHZXESPECJYCA-UHFFFAOYSA-N 345.449 2.825 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 263358217 XPTDPAVYCLIJPC-UXLLHSPISA-N 349.402 2.834 0 50 EFAA Cc1ccccc1N1CCN([C@@H]2CCOC3(CCOCC3)C2)CC1 82106933 IXUGGDFYNTUPML-GOSISDBHSA-N 330.472 2.845 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@@H](O)c2ccccc2Cl)nc1 222430865 HDEJZKNXAOWAFK-INIZCTEOSA-N 333.819 2.695 0 50 EFAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(-c2ncccc2F)cc1 426628243 LJBFLEAMEOHBTP-UHFFFAOYSA-N 343.402 2.922 0 50 EFAA CN1CCN([C@@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)CC1 97654207 NGVGAAZIMVEXFW-LJQANCHMSA-N 343.515 2.830 0 50 EFAA COCC[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2C)CCO1 97602276 KCWSTMUCSXDMQD-CYBMUJFWSA-N 344.358 2.866 0 50 EFAA CCOc1ncccc1C(=O)N1CCC[C@@H](c2nccn2CC)C1 91624556 DYHKJPOSDJPRAT-CQSZACIVSA-N 328.416 2.717 0 50 EFAA CCc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3C)C2)no1 97551298 QILCMEOIVRMORI-HNNXBMFYSA-N 327.428 2.797 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3ccc4c(c3)COC4=O)C2)n1 96152932 UYLAHRJUHAXHIE-OAHLLOKOSA-N 340.383 2.649 0 50 EFAA O=C(CC[C@H]1CCOC1)NCc1c(Cl)cccc1-n1ccnc1 294448797 PXERIGGXNTWRMD-ZDUSSCGKSA-N 333.819 2.959 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CCCCN2c2ccccc21 294492963 XQHSOSUDRKYBBI-CQSZACIVSA-N 333.395 2.977 0 50 EFAA COc1ccc(F)c([C@H](C(=O)O)N(C)Cc2nc(C(C)C)no2)c1 95380086 OEUSFUMSXHMXPN-CQSZACIVSA-N 337.351 2.598 0 50 EFAA CN(CC(=O)Nc1ccc(Cl)cn1)Cc1ccc2nsnc2c1 244673740 HURZPGOYQDZULE-UHFFFAOYSA-N 347.831 2.810 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(C(=O)O)nc2)cc1 299753355 XYBDGGOXYXWBPL-WBVHZDCISA-N 340.379 2.738 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCCC[C@@H]3[C@@H](C)N)c2C)no1 299747358 CTIQYQZPCNPTNC-CZUORRHYSA-N 330.432 2.732 0 50 EFAA CCc1nccn1C[C@H](C)NCc1cnn(-c2ccccc2OC)c1 584887599 IKMANDNXPFFJPH-HNNXBMFYSA-N 339.443 2.818 0 50 EFAA C[C@@H](NC[C@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 685940649 QPHPNOIAWWIUJD-WBMJQRKESA-N 340.489 2.991 0 50 EFAA COc1cc2c(cc1OC)[C@@H](C1CC1)N(CCN1CCCC1=O)CC2 1363300936 UUVXKIQHVWSMPO-HXUWFJFHSA-N 344.455 2.635 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1nn(C)cc1OC 1363695174 WYBJXZFETJSCAO-ZIAGYGMSSA-N 331.416 2.772 0 50 EFAA COC(=O)c1sccc1NC(=O)c1scc2c1OCCO2 1361437514 FUEONMHEHHQEIQ-UHFFFAOYSA-N 325.367 2.620 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@H]1c1ccc(F)cc1 871983051 QFYWVWPBCWRUTC-LBPRGKRZSA-N 339.344 2.561 0 50 EFAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1ccccc1-n1ccnc1 272410589 FLGJWZRFCGCXNU-FUHWJXTLSA-N 342.443 2.565 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@H](C)c2cccs2)o1 275492710 WGARMPUJJHXLOB-NEPJUHHUSA-N 335.429 2.958 0 50 EFAA COc1cc2c(N3CCC(N4CCCC4)CC3)ncnc2cc1F 170081361 NUMHOLRMXOPKNA-UHFFFAOYSA-N 330.407 2.842 0 50 EFAA O=C(NC1Cc2ccccc2C1)N1CCO[C@H](c2cccc(O)c2)C1 186687069 CYDQOVHYNHQYSE-IBGZPJMESA-N 338.407 2.643 0 50 EFAA CC(=O)c1c(F)cccc1N1CCN(c2cc(C3CC3)n[nH]2)CC1 302382492 GYFKUXXYTNCLIH-UHFFFAOYSA-N 328.391 2.955 0 50 EFAA O=C(CN1CCc2ccccc21)NCc1ccc(OC(F)F)cc1 170620549 WGWSEVRMBSNAGK-UHFFFAOYSA-N 332.350 2.967 0 50 EFAA CCc1cncc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 279707278 KBXQOXYYASCFBX-RHSMWYFYSA-N 332.350 2.870 0 50 EFAA Nc1cc(CN2CCO[C@H](c3cccc(Br)c3)C2)ccn1 191467131 YKPMFMRHBDEDII-HNNXBMFYSA-N 348.244 3.000 0 50 EFAA CNc1ccccc1C(=O)NCC1(CN2CCOCC2)CCCCC1 646900515 ZFDMPICGGWPRBB-UHFFFAOYSA-N 345.487 2.741 0 50 EFAA CNC(=O)[C@@H](Cc1ccccc1)Sc1nnc(C2CCC2)n1C 195559437 HGFPOMUAURGACX-CQSZACIVSA-N 330.457 2.532 0 50 EFAA CCC(C)(C)N1CCN(C(=O)Nc2ccc(OC(C)C)nn2)CC1 654043766 BZMXWNZVWVVZAW-UHFFFAOYSA-N 335.452 2.602 0 50 EFAA COc1ccc(C[C@@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 658270920 XZKOBTPCEUBXMF-SIXWZSSISA-N 344.459 2.512 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)CCOC2)c1cccs1 659122128 ZSAKGXPNBLFAMO-CQSZACIVSA-N 331.393 2.767 0 50 EFAA Cc1nc(-c2cc(NC(=O)[C@H](C)N(C)C)cc(C(F)(F)F)c2)n[nH]1 668013537 HZXZILYXVUWFKY-QMMMGPOBSA-N 341.337 2.688 0 50 EFAA COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(C)n2C)cc1 762369275 GAGCLZOSDLOMQH-ICSRJNTNSA-N 342.439 2.854 0 50 EFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@]1(C)CC(C)=NO1 1529171716 ACVSFFLNSBYJCF-GOSISDBHSA-N 342.399 2.898 0 50 EFAA COc1ccc(OC)c(CN(CCN2CCOCC2)C2CCCC2)c1 1529198468 AFOCOTCEXQCTJR-UHFFFAOYSA-N 348.487 2.781 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)CC[C@@H]1O 1704330353 BMSSSGKNDYBTSY-DDTOSNHZSA-N 332.227 2.786 0 50 EFAA O=C(c1cccc(O)n1)N1CCC2(CC1)OCCc1sccc12 1704342644 PMOGLHQZJJCTEI-UHFFFAOYSA-N 330.409 2.553 0 50 EFAA O[C@H]1CCCN(c2ccnc(NCc3ccc4c(c3)CCCC4)n2)C1 1704314154 QJVQEAGRMWCAAJ-SFHVURJKSA-N 338.455 2.929 0 50 EFAA CCOc1ccccc1CN(Cc1cnc(C(=O)O)cn1)C1CC1 1772702602 HOFQJDUKYYHVRX-UHFFFAOYSA-N 327.384 2.738 0 50 EFAA CCCc1nc(-c2nc([C@H]3CCOC3)nn2-c2ccnn2C)cs1 1772810242 DVKKJFJSGSKLIH-NSHDSACASA-N 344.444 2.581 0 50 EFAA COCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1 12138034 AOIKOKBAUOWUAN-UHFFFAOYSA-N 330.336 2.718 0 50 EFAA CC1(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)CC1 15079056 YXBLFPMPLWIVSM-HXUWFJFHSA-N 344.430 2.967 0 50 EFAA Cc1ocnc1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857698354 MXRUAUIZWKXQQU-UHFFFAOYSA-N 336.395 2.625 0 50 EFAA CC(C)(C)NC(=O)COc1ccc(-c2nccn2[C@@H]2CCOC2)cc1 1857708261 YNUMLTFUVIBVRR-OAHLLOKOSA-N 343.427 2.805 0 50 EFAA Fc1ccc(OC[C@H]2CCCN(c3ncc4cn[nH]c4n3)C2)cc1 1857708363 PVRGLGHGAWSFRO-LBPRGKRZSA-N 327.363 2.787 0 50 EFAA COc1ccccc1N1CC[C@H](Nc2ncnc3sccc23)C1=O 301589743 CRGAYYFSHXRHML-LBPRGKRZSA-N 340.408 2.917 0 50 EFAA CCC(=O)N1CC[C@H](c2nc(Cc3cc(C)ccc3OC)no2)C1 225588910 KMQFWHACGIYLQK-ZDUSSCGKSA-N 329.400 2.703 0 50 EFAA Cc1nc(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c(=N)n1 631166304 SOMZTKUIJLERSY-JTQLQIEISA-N 340.214 2.557 0 50 EFAA C[C@@H](O)[C@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CCO1 332620257 DUXKAJWSYGPZFQ-DGCLKSJQSA-N 339.461 2.804 0 50 EFAA O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@H]1CCc2nncn2C1 332816336 GBRJSUBEOUZKJP-ONGXEEELSA-N 336.848 2.749 0 50 EFAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)C2 237895052 MHCWFCXVHLUSFZ-PBHICJAKSA-N 331.412 2.710 0 50 EFAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1(C)Cc2ccccc2C1 242389437 ZXGIPJSDNNMJPE-MAUKXSAKSA-N 329.488 2.773 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](C(=O)O)C1 136108731 HTWOGHWWYCZHMX-LSDHHAIUSA-N 331.412 2.828 0 50 EFAA Cc1c(CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cnn1C 253415560 HCJYZHLAARKMKU-HNNXBMFYSA-N 346.406 2.969 0 50 EFAA CCS(=O)(=O)C1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 683460543 NUVCHLAMVFNIHT-HNNXBMFYSA-N 335.469 2.532 0 50 EFAA O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@@H]1CCNC1 155579728 PNWAERBCAUGGSN-MRVPVSSYSA-N 340.861 2.891 0 50 EFAA CNC(=O)CCCC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 156709713 IFPWFLCZAFTKJB-ZDUSSCGKSA-N 338.835 2.626 0 50 EFAA O=C(c1ccc2ccc(Cl)cc2n1)N1CC(F)(F)C[C@H]1CO 372548874 VXYGKBGTTAPPJJ-NSHDSACASA-N 326.730 2.730 0 50 EFAA CO[C@@]1(C)C[C@@H](N(C)C(=O)CCc2ccccc2C(=O)O)C1(C)C 262051786 ALLCVPQEIJVSDL-BEFAXECRSA-N 333.428 2.979 0 50 EFAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1Cl 262929126 LCAZWZVYIHBHMF-ZDUSSCGKSA-N 325.792 2.506 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c(c3)CCO4)C1)CC2 1704315174 PITOUHVQBRQUNH-OAQYLSRUSA-N 349.434 2.840 0 50 EFAA COc1cc(C)c(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1C 1704324517 AFPUVYRFWQRLHN-WOJBJXKFSA-N 332.488 2.591 0 50 EFAA CC(C)[C@]1(CO)CCCN(C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 819051102 OFZIYDUJSHPTBW-LJQANCHMSA-N 347.386 2.803 0 50 EFAA O=C(NCc1nc(C(F)(F)F)no1)[C@@H]1CCCc2ccccc21 827755221 NLYWZOIIRVPBNQ-LLVKDONJSA-N 325.290 2.825 0 50 EFAA Brc1ccc(-c2nccc(N3[C@H]4COC[C@H]3C4)n2)cc1 929084967 QCPGLHMXFDKEFK-CHWSQXEVSA-N 332.201 2.884 0 50 EFAA O[C@@H](CN1CCN(c2nccs2)CC1)c1cc2ccccc2o1 929200871 LDFAHMLGYDLLFT-AWEZNQCLSA-N 329.425 2.745 0 50 EFAA Cc1cccc([C@@H](O)CN2CCC(O)(Cc3nc(C)cs3)CC2)c1 930986376 LDPISAZQUJNOEI-KRWDZBQOSA-N 346.496 2.863 0 50 EFAA C[C@](CO)(Cc1ccc(F)cc1)NCc1nc(O)c2sccc2n1 933441512 IBWRCOFNSBNEPX-QGZVFWFLSA-N 347.415 2.619 0 50 EFAA O=C(c1cc(-c2c[nH]c3ccccc23)[nH]n1)N1CCC[C@]12CCOC2 1875270724 DQNPYCCDYWSJPC-LJQANCHMSA-N 336.395 2.953 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]2C[C@@H](C(=O)O)C[C@H]2C1 1875300902 VHGQXGPIRAPDKH-RTCCRHLQSA-N 342.317 2.592 0 50 EFAA Cc1[nH]nc2c1CN(C(=O)c1c3c(nc4ccccc14)CCC3)CC2 1875317882 LSTCLPWNASBQSR-UHFFFAOYSA-N 332.407 2.954 0 50 EFAA CN(C(=O)C[C@@H]1Cc2ccccc2NC1=O)C1(c2cccnc2)CC1 1875321110 VBLMHKZJTUJZEG-HNNXBMFYSA-N 335.407 2.730 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](CC(=O)O)C(C)(C)C1 1875305629 GGXMQUFRTQTNDK-OAHLLOKOSA-N 349.475 2.658 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2csc(=Nc3cccnc3)[nH]2)cc1 1875362987 BQQIHOIOJJWUKI-UHFFFAOYSA-N 346.437 2.742 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cnc(C(C)(C)C)[nH]2)cc1 1875387738 VHNQHXKXTQFFML-UHFFFAOYSA-N 340.427 2.786 0 50 EFAA CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](C(=O)O)OCC2(C)C)c1 1875354257 SGOBFBMBVMXZIG-BBRMVZONSA-N 349.427 2.668 0 50 EFAA O=S(=O)([C@@H]1CC12CCC2)N1CCN[C@@H](c2ccccc2Cl)C1 1875397346 WTKFVKDHFNJUOM-HUUCEWRRSA-N 340.876 2.559 0 50 EFAA O=C(NCCc1cnc2c(Cl)cnn2c1)N1CCC(C2CC2)CC1 895072331 SGVPNRIAIUILFA-UHFFFAOYSA-N 347.850 2.757 0 50 EFAA C[C@@H]1CCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 897504395 WTDBFJJYMCRPMA-SFNKJDCFSA-N 337.508 2.586 0 50 EFAA Cc1c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)oc2ccccc12 2325785962 WCMROBADKKDHGL-FVQBIDKESA-N 339.395 2.507 0 50 EFAA CCc1cc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)cc(Cl)n1 936019002 NQSHBCVJJNQEBS-BBRMVZONSA-N 332.787 2.522 0 50 EFAA CN(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 45758 ZFISATLJZIPDNU-UHFFFAOYSA-N 339.420 2.566 0 50 EFAA CCOC(=O)N1N=C(C)C[C@@]1(O)c1ccc(Br)cc1 108376 QKFSKBNCSORWAZ-CYBMUJFWSA-N 327.178 2.832 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 119651 VLZZNKOSEJAKSW-GFCCVEGCSA-N 329.352 2.888 0 50 EFAA biogenic CCN(CC)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 149258 GDDCWBZEFAMAGJ-UHFFFAOYSA-N 341.436 2.993 0 50 EFAA COc1cc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1O 1067290 LCRIOFMFIPBLEP-NSHDSACASA-N 329.352 2.892 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)no1 1072133 LMCAQTBGWLSJMV-NSHDSACASA-N 333.775 2.936 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)Cc2ccc(OC)cc2)C1=O 2356163415 BNSOCCBKJFOHHE-HXUWFJFHSA-N 344.455 2.631 0 50 EFAA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 4096798 JNHJGXQUDOYJAK-OROBAWOBSA-N 348.483 2.603 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1OC 4310085 OVHCPUMRMRUMLL-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 6742096 JPPCXDZDPFMUFN-VIFPVBQESA-N 340.836 2.669 0 50 EFAA COc1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)cc(OC)c1 6742210 CIQOKGDPAFIBON-JKGUZNAFSA-N 333.384 2.779 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C(=O)N(C)C)c1 246148492 LNWFRLRNLLYKRD-RVKKMQEKSA-N 343.471 2.980 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)COc1cc(Cl)cc(Cl)c1 136537033 LFPKKDNXSUTPLM-GFCCVEGCSA-N 332.183 2.838 0 50 EFAA CC(C)n1nnnc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 225526117 IQRRAKRFPFEONK-MRXNPFEDSA-N 333.411 2.574 0 50 EFAA Cc1c(CNCCCc2ccncc2)c2ccccc2n1CC(N)=O 55271769 XOYYPNAZDXPSPW-UHFFFAOYSA-N 336.439 2.552 0 50 EFAA COc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1O 23129942 ZAGCLZUHUJRZRT-SFHVURJKSA-N 348.487 2.602 0 50 EFAA C[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)n1cnc2ccccc21 248104528 FNSITTFYNBTLQC-OLMNPRSZSA-N 326.444 2.683 0 50 EFAA Cc1ccc(F)cc1/C=C/c1nc(O)c2cnn(-c3ncccn3)c2n1 349223956 MAHCOYPJXHPVHG-GQCTYLIASA-N 348.341 2.929 0 50 EFAA CCC1=NO[C@@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 65467750 JFYMXUBZMKGMQU-GOSISDBHSA-N 340.427 2.833 0 50 EFAA O=C(CCc1cn[nH]c1)N1CCO[C@@H](Cc2cccc3ccccc23)C1 12028461 KFJDUKOPMWRBBP-IBGZPJMESA-N 349.434 2.966 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCC(N2CCSCC2)CC1 67805168 LUKVZMIITYKGOB-UHFFFAOYSA-N 342.940 2.649 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(c2ccc(-c3ccccc3)nn2)C1 67974215 YGPKYLDFGAQLGD-IBGZPJMESA-N 341.411 2.851 0 50 EFAA Cc1ccc([C@]2(C)NC(=O)N(Cc3noc(C4CC4)n3)C2=O)cc1C 252508544 XOVPZDNJHYWKDI-SFHVURJKSA-N 340.383 2.531 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N[C@H]1CCCN(c2cnccn2)C1 215964981 SATVRORULORQOF-LBPRGKRZSA-N 348.809 2.597 0 50 EFAA Cc1ccccc1-n1cc(CN2CCC[C@H](N3CCCC3=O)C2)cn1 71404011 VLDBXENNBXLVQF-SFHVURJKSA-N 338.455 2.768 0 50 EFAA CCc1nc(=N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)s[nH]1 328610901 JOURDMVQXRMULS-GFCCVEGCSA-N 337.449 2.609 0 50 EFAA CC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)CCc2ccoc2)CC1 328631562 KQEBAZCWFHCQRR-SFHVURJKSA-N 332.444 2.994 0 50 EFAA CC(C)c1noc([C@H](N[C@H](C)Cn2cccn2)C2CCOCC2)n1 328633095 SKSKMVOCFSOVFA-UKRRQHHQSA-N 333.436 2.536 0 50 EFAA NC(=O)c1csc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 77376867 NXXBWDFZOLCKLW-SNVBAGLBSA-N 327.413 2.502 0 50 EFAA Cc1ccc(Oc2ccc(CN3CCN[C@H](C(=O)O)C3)cc2)cc1C 71749976 JLBXOUPKGNQYJJ-IBGZPJMESA-N 340.423 2.954 0 50 EFAA Cc1cc(O)c(C(C)C)cc1C(=O)NC[C@@H](CO)c1cccnc1 436735766 NECNIWFTEACIML-HNNXBMFYSA-N 328.412 2.725 0 50 EFAA O=C(c1ccc(-c2ncon2)cc1)N1CCCN(C2CCCC2)CC1 172415458 IQAUFHAPIDXPFY-UHFFFAOYSA-N 340.427 2.827 0 50 EFAA c1ccc(COc2cccc(CNCCn3cnnc3C3CC3)c2)nc1 236759470 XLFWZWSFPWWHRR-UHFFFAOYSA-N 349.438 2.919 0 50 EFAA COc1cc(F)c(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1OC 364464239 GXPZXCZYSDUPRF-ZDUSSCGKSA-N 337.391 2.874 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CNc1cccc(-n2ccnn2)c1 132315519 COYMKYDAIMJQOC-CQSZACIVSA-N 333.395 2.657 0 50 EFAA Cc1ccc(-n2nccc2NC(=O)C[C@@H]2CCOc3ccccc32)nn1 155696745 VZQUBARVYJQLAT-AWEZNQCLSA-N 349.394 2.866 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@H]1CCC(=O)O 237479573 UTYSCNDRCHNARX-NEPJUHHUSA-N 341.354 2.978 0 50 EFAA N[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 157726254 RQRUMXXKZIMRKM-OAHLLOKOSA-N 326.371 2.620 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 374173902 QEZKHYYOAWDEKE-GMTAPVOTSA-N 342.490 2.807 0 50 EFAA CO[C@@H](CNC(=O)c1ccc(-c2cnn(C)c2)o1)Cc1ccccc1 452393892 YVTFDJADXUOIDE-MRXNPFEDSA-N 339.395 2.668 0 50 EFAA COCC(=O)N1CCCN(Cc2ccc(OC3CCCC3)cc2)CC1 216232686 FQMXTLSBYUINFT-UHFFFAOYSA-N 346.471 2.689 0 50 EFAA C[C@H](NC(=O)c1nc2cc(Cl)ccc2s1)C(=O)N1CCCC1 454215205 HRPLCLWPZFMPBB-VIFPVBQESA-N 337.832 2.690 0 50 EFAA C[C@H](NCc1ccccc1N1CCO[C@H](C)C1)C(=O)OC(C)(C)C 240321559 FAJXPMVKBGPOHN-CABCVRRESA-N 334.460 2.732 0 50 EFAA COc1cccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1F 241897300 TXMRIRPYJJAAHI-CVEARBPZSA-N 333.407 2.656 0 50 EFAA COCc1cc(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)ncn1 71757305 NVTGZGYVTDWPBM-CQSZACIVSA-N 341.411 2.731 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)n1 76922189 YTKRBVFWGMHVIS-LJQANCHMSA-N 343.446 2.598 0 50 EFAA CN1CC[C@](C)(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)C1 72410459 XLSAVRCWCRCXIS-FQEVSTJZSA-N 332.488 2.804 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc2c1CCC2 263207676 ZGZNLCFUMXGCRC-GOSISDBHSA-N 337.375 2.666 0 50 EFAA O=C(Cc1ccc2ccccc2c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286411602 RKTAJUOQYFOZIJ-VAMGGRTRSA-N 339.435 2.771 0 50 EFAA C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cc1cccnc1 82107774 ZNXVLROREPWUGY-CYBMUJFWSA-N 343.814 2.541 0 50 EFAA CCOc1ccc(C(=O)NCc2nc(-c3ccccc3F)no2)o1 220103437 AFLFPJQMNKFKHS-UHFFFAOYSA-N 331.303 2.797 0 50 EFAA CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)n(C)n1 82155859 KKHYTMIUMDEFDY-GOSISDBHSA-N 342.443 2.524 0 50 EFAA CCc1ncc(CN2CCC3(CC2)CC(=O)N(CC(C)C)C3)cn1 91504806 WAXMVFQBGYWNDC-UHFFFAOYSA-N 330.476 2.510 0 50 EFAA O=C(Cn1ncc2ccccc2c1=O)N1CC[C@H]1c1ccc(F)cc1 95519239 DTFCDOGVGHHROI-KRWDZBQOSA-N 337.354 2.509 0 50 EFAA Cc1cnccc1N1CCCN(c2nccc(-c3cccnc3)n2)CC1 96148770 MHOFEWKEEZBLMG-UHFFFAOYSA-N 346.438 2.959 0 50 EFAA O=C(NCc1cn2ccsc2n1)[C@@H]1CCOc2ccccc2C1 97402311 ORWVOIGXZHRQSE-CYBMUJFWSA-N 327.409 2.653 0 50 EFAA Cc1nc(CSc2nnc(C)s2)n(-c2ccccc2C(=O)O)n1 96165515 HXVRNQRJEVKYAT-UHFFFAOYSA-N 347.425 2.726 0 50 EFAA C[C@@H](c1cncs1)N(C)C(=O)C1CCN(C(=O)C2CCC2)CC1 95374227 GEZOWPRUQMTVPL-LBPRGKRZSA-N 335.473 2.701 0 50 EFAA CCSc1ncc(CN2CCC([C@@H](O)c3ccccn3)CC2)cn1 97674289 PZNQTRSGMYROEJ-QGZVFWFLSA-N 344.484 2.929 0 50 EFAA O=C(COc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95357012 KBJROEMMGXTGOJ-SJLPKXTDSA-N 346.446 2.927 0 50 EFAA Cc1ccc(-c2ccc(NC(=O)N(C)[C@H]3COC[C@@H]3O)cc2)cc1 97553267 LLLPBYYPZNGFGI-ROUUACIJSA-N 326.396 2.885 0 50 EFAA CCN1CCC(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)CC1 95367402 PPRORGUTVKVDBB-INIZCTEOSA-N 331.504 2.922 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 92038112 FWTHNFDBESVXML-SJORKVTESA-N 348.487 2.878 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C(=O)O 92001965 QIPOTDLWLLTEJH-QWHCGFSZSA-N 349.337 2.527 0 50 EFAA CC(C)N1CCC(CC(=O)N[C@@H](C(=O)O)c2cccc(F)c2)CC1 95507220 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338.407 2.512 0 50 EFAA CC(C)c1nc(SCCCS(N)(=O)=O)c2ccccc2n1 278262437 DEMZDGDREGXVQB-UHFFFAOYSA-N 325.459 2.524 0 50 EFAA O=C(NS(=O)(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CC=CCC1 170597118 XLXXMXFVFAMLNO-CQSZACIVSA-N 330.409 2.639 0 50 EFAA CC(=O)c1ccc(NCc2ccccc2CN2CCC[C@@H]2CO)nc1 170614939 CNUWWBZZJXRDFL-LJQANCHMSA-N 339.439 2.853 0 50 EFAA COc1cc(NC(=O)c2cc(N3CCOCC3)ccn2)c(C)cc1C 280237656 ZMWFCVRLAPHNPH-UHFFFAOYSA-N 341.411 2.796 0 50 EFAA CO[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 192898870 RVOPWQAJIFVYAI-NXEZZACHSA-N 325.352 2.721 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2cccc3cc[nH]c23)(C(=O)O)C1(C)C 193039055 KRNBJDDUMKSYKF-FZKQIMNGSA-N 330.384 2.556 0 50 EFAA C[C@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)CC[C@@H]1c1ccccc1 648302770 YQJMPXZSVUNCTC-YOEHRIQHSA-N 338.455 2.887 0 50 EFAA CCCn1nccc1C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 667780264 FSTVVRVBUJZGDP-HNNXBMFYSA-N 342.443 2.558 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3C)C[C@@H]21 1704314938 YOQGKVDEICAPOY-SOLBZPMBSA-N 337.485 2.865 0 50 EFAA CC[C@H](C(=O)N1CCC2(CC1)OCCc1ccsc12)n1cccn1 1704340354 HHUDODCPQUUKFI-OAHLLOKOSA-N 345.468 2.986 0 50 EFAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCN2CCC[C@@H]12 1772814002 FBSJPJZOAJHWKQ-GJZGRUSLSA-N 326.362 2.991 0 50 EFAA COc1cc(OC)c(C(=O)Nc2cccc(NC(C)=O)c2)cc1OC 12379757 WCARESNBGALVQD-UHFFFAOYSA-N 344.367 2.923 0 50 EFAA CC(C)CCC[C@H]1CN(C(=O)CCN2CCCCCC2=O)CCO1 12713069 VDAJUPFBFXXOCK-KRWDZBQOSA-N 338.492 2.833 0 50 EFAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C(N)=O)cc1 16552353 SXSQRMSVKSXCQM-AWEZNQCLSA-N 328.368 2.590 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc(-c3ccccc3)nn2)n[nH]1 162389745 DSFQKVNZQBDLHH-LBPRGKRZSA-N 336.399 2.928 0 50 EFAA CCOc1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1Cl 1857669650 GGCZIHLSPICGLT-WMLDXEAASA-N 325.836 2.570 0 50 EFAA CC[C@@]1(C(=O)N2CCOCC2)C[C@@H]2CC[C@H]1N2CCc1ccccc1 1857673913 OAOMLXOELFLIJW-QKNQBKEWSA-N 342.483 2.721 0 50 EFAA CN(C)C(=O)c1ccc(N(C)C[C@]2(c3ccccc3)CC2(C)C)nn1 1857674186 WLHKVWANQSAUDQ-FQEVSTJZSA-N 338.455 2.983 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@]1(C)CC12CCNCC2 1857686972 LITYYENSHVRWHM-KRWDZBQOSA-N 333.501 2.760 0 50 EFAA COCCn1ccnc1-c1nccn1Cc1ccc(CN(C)C)cc1 1857701918 YOOVCUMLKXBCLK-UHFFFAOYSA-N 339.443 2.503 0 50 EFAA C[C@H](OCC(F)(F)F)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)O 221914025 SIHHETXZQPPSOG-JFGNBEQYSA-N 333.306 2.532 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3oc4c(C)cccc4c3C)CCO2)o1 328614893 XEFIFQFWSFFOBV-CQSZACIVSA-N 341.367 2.955 0 50 EFAA Cc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 331911272 LXSSYHHYUOGNAR-RHSMWYFYSA-N 332.350 2.545 0 50 EFAA CO[C@H]1C[C@H](N(C)C(=O)c2cnn(C3CCOCC3)c2C)C12CCC2 333682458 AVEFXGJUMYINED-IRXDYDNUSA-N 347.459 2.573 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 237644939 DTNMALGAOSZMEA-HNNXBMFYSA-N 336.438 2.737 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)NCc1ccc(C(=O)O)cc1 238111136 FIZUGMPNDGYRQH-QGZVFWFLSA-N 325.364 2.705 0 50 EFAA Cn1cc(-c2nsc(NC(=O)C3CCC(F)(F)CC3)n2)cn1 900798541 QVJHROUGIWWPPH-UHFFFAOYSA-N 327.360 2.703 0 50 EFAA COc1cccnc1C(=O)N1CCC(c2ccccc2C(=O)O)CC1 901551727 LWOBALLYAYJYFG-UHFFFAOYSA-N 340.379 2.808 0 50 EFAA CC[C@](CNC(=O)C1Cc2ccccc2C1)(C(=O)O)c1ccccc1 909845404 MTIGYZUOYYDTNG-OAQYLSRUSA-N 337.419 2.950 0 50 EFAA Cc1ccc(CC(=O)N2CCn3c(nnc3C3CC3)C2)cc1Cl 932570807 SIAFQPMEMATCMH-UHFFFAOYSA-N 330.819 2.702 0 50 EFAA O=C(Nc1ccc(Cl)cc1OC(F)F)N[C@H]1C[C@H](C(=O)O)C1 871656272 CAJMDSVORGSFLD-FKQCQYRASA-N 334.706 2.926 0 50 EFAA Cc1ccccc1[C@@H](c1noc([C@@H](O)c2cnn(C)c2)n1)C(C)C 952876900 ZSYKNOIBVDIFRL-HOTGVXAUSA-N 326.400 2.981 0 50 EFAA C=CS(=O)(=O)CCC(=O)Nc1nn(C2CCCCC2)cc1C 952881217 QNJYFKKSIYDIKQ-UHFFFAOYSA-N 325.434 2.584 0 50 EFAA CN(C)[C@@H]1CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 952963790 KTIXLFVQCACJPF-GFCCVEGCSA-N 328.913 2.923 0 50 EFAA CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1n[nH]c2ncccc12 1875280959 IIVZYGGOIKECAY-UHFFFAOYSA-N 346.412 2.515 0 50 EFAA OC[C@H](O)[C@H](c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 1875274990 KOYDLTYMEDSBAD-PCCBWWKXSA-N 341.451 2.527 0 50 EFAA COc1ccc(CN2[C@H](C(=O)O)CC[C@@H]2C(F)(F)F)c(OC)c1 1875283604 XKCBKYRANYWYNG-WCQYABFASA-N 333.306 2.684 0 50 EFAA CC(C)[C@@H](C(=O)O)C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 1875266677 BRPPXFKJKHNHPO-ZWNOBZJWSA-N 333.413 2.739 0 50 EFAA CC(C)c1noc(=O)n1CC(=O)Nc1ccc(N2CCCCC2)cc1 1875391621 KNYNOHVLNDXXHR-UHFFFAOYSA-N 344.415 2.589 0 50 EFAA COc1cc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc(Cl)n1 879880457 YLXCCHFJCVRKAP-NSHDSACASA-N 349.822 2.574 0 50 EFAA CN1C[C@@H]2CN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C[C@]2(C)C1 887935333 RVRXBJGHWIMUNL-XIKOKIGWSA-N 344.846 2.754 0 50 EFAA Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3O)C2)nc1 899676299 MHKUTSMDCRGTOS-GFCCVEGCSA-N 334.322 2.667 0 50 EFAA CCc1c(C)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O 5045309 KBRLOLDUOVEJPY-UHFFFAOYSA-N 345.424 2.574 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1sccc1C1CC1 2325772297 SLEHHJXUORMERF-AWEZNQCLSA-N 349.433 2.830 0 50 EFAA CN(C[C@H]1CCCN1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 2325786399 IKGXGVVCFLOLHP-MRXNPFEDSA-N 334.423 2.850 0 50 EFAA C[C@H]1C[C@@H](CCC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1 207952 VVGNCDLYLSQNQK-VHSXEESVSA-N 340.832 2.885 0 50 EFAA CCN(CC)C(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 301360 FTEBASPSRWPPER-IBGZPJMESA-N 339.395 2.752 0 50 EFAA Cc1ccccc1-c1nnn(CC(=O)Nc2ccccc2Cl)n1 331875 PIBPGNCHHMWYPV-UHFFFAOYSA-N 327.775 2.941 0 50 EFAA COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1 611148 MMBFWEASPKRKSZ-UHFFFAOYSA-N 344.367 2.812 0 50 EFAA Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)o2)n1 1075484 RAQYXTKADFSJOD-UHFFFAOYSA-N 333.398 2.627 0 50 EFAA COC(=O)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1 6706452 KFSLZFICZPNWCH-UHFFFAOYSA-N 333.337 2.614 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 6741136 SHRQVEQGMPFUOY-UHFFFAOYSA-N 336.413 2.871 0 50 EFAA CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 413670979 RPWGKWGRUMWANX-SJORKVTESA-N 326.440 2.650 0 50 EFAA Cc1ccc([C@@H]2N=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 9287494 FXWPYFIIACGHGL-QGZVFWFLSA-N 337.427 2.674 0 50 EFAA CCOc1ncccc1CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 111814996 IIVAFMSQUXFYLT-INIZCTEOSA-N 343.431 2.532 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)cc1 23373965 PQIHEQCZLCNILZ-IBGZPJMESA-N 328.456 2.965 0 50 EFAA C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NC1CCCCCC1 134119434 XCGNWOFMQUNMPE-CQSZACIVSA-N 342.443 2.807 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1C[C@H]1C 246955881 KUBGQIFXROKLKF-GYRMQKGHSA-N 332.419 2.753 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)[C@@H](OC)c2ccccc2)C1 247448548 SNBICYQVSNBRHN-LPHOPBHVSA-N 340.423 2.778 0 50 EFAA CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)CO)cc1 55327356 AVJBDXZVUQDMQT-HNNXBMFYSA-N 340.423 2.916 0 50 EFAA Cc1csc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)n1 247949919 JXMJXRDDAJHTJO-ZIAGYGMSSA-N 331.441 2.887 0 50 EFAA CC(=O)N1CCC(N2CCC[C@H](N(C)Cc3ccccc3)C2)CC1 20915862 KLQREMJKXZBERW-FQEVSTJZSA-N 329.488 2.594 0 50 EFAA CNc1cc(C)nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67820910 CMWANGUYEGBSLU-UHFFFAOYSA-N 338.390 2.731 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1CC(=O)CO[C@@H]1c1cc(F)ccc1F 114658267 OTCULXVRRSCLLI-UONOGXRCSA-N 327.327 2.889 0 50 EFAA COc1ccc([C@H](OC)[C@H](C)Nc2ncnc3nc(N)ccc23)cc1 357275535 SCGGGNIYXUTTMK-MEDUHNTESA-N 339.399 2.804 0 50 EFAA Cc1cc2cc(NC(=O)C(=O)NCc3ccc(F)cc3)ccc2[nH]1 119004981 LCJKHBFVEOLEEJ-UHFFFAOYSA-N 325.343 2.870 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1nccs1 171713497 GVGHYIXRAKNRNM-ZDUSSCGKSA-N 349.437 2.816 0 50 EFAA Cc1cnc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1 67642121 ZZMHXDZGVCKLAY-UHFFFAOYSA-N 347.422 2.746 0 50 EFAA C[S@](=O)C1(CNC(=O)NCCc2ccc3ccccc3c2)CCC1 281171280 DGNRWPHQTLXNRS-DEOSSOPVSA-N 344.480 2.983 0 50 EFAA CO[C@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)C1CC1 358179821 YNXPADXLABFQDT-CQSZACIVSA-N 331.334 2.711 0 50 EFAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)Cn3ccnc3)C2)cc1 67774588 SLDRWYLMRQWQKK-KRWDZBQOSA-N 349.438 2.988 0 50 EFAA Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1Cl 2785024 MENYGPKBSLCGPC-UHFFFAOYSA-N 329.791 2.728 0 50 EFAA Cc1nc(CCNC(=O)c2ccccc2[C@@H]2CCNC2)sc1C 72168414 UYRJJXYGBHLAJL-CQSZACIVSA-N 329.469 2.809 0 50 EFAA O=S(=O)(Cc1cccc2cccnc12)N1CCO[C@@H]2CCCC[C@H]21 230133018 VTDDVWBHDWLKGE-IAGOWNOFSA-N 346.452 2.708 0 50 EFAA O=C(NCCOc1cncc(Cl)c1)c1nc2cccnc2s1 328591480 IMUFWCWVOWXMRG-UHFFFAOYSA-N 334.788 2.549 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 253394829 AUGYUEABQGBNKS-RBSFLKMASA-N 343.345 2.707 0 50 EFAA CC(C)n1ccc(C(=O)NC2CCN(Cc3cccs3)CC2)n1 215233234 KBSQMYRBVFXMJA-UHFFFAOYSA-N 332.473 2.920 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)N2CC(Cc3ccccc3)C2)C1 363969884 LVZDYEFRGTVFBT-GOSISDBHSA-N 329.488 2.848 0 50 EFAA O=C(CCC(F)(F)F)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219997125 ZIBXZODKQKFYJY-ZIAGYGMSSA-N 331.334 2.819 0 50 EFAA CCOc1cccc2c1OC[C@H](C(=O)O[C@@H]1[C@@H]3CCO[C@@H]3C1(C)C)C2 126189674 KKAWYKXSEOJKCP-KJWYOANISA-N 346.423 2.993 0 50 EFAA CN(C)Cc1nc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cs1 72122575 GPEHAQBYPUKYRB-HNNXBMFYSA-N 344.484 2.921 0 50 EFAA Cn1c(CNC(=O)CSc2ccc(O)cc2)nc2ccccc21 156350061 VQEXVTKSVSSMOJ-UHFFFAOYSA-N 327.409 2.687 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)c1=O 71768079 CCPQQXOXBOVFST-UCUFBTAOSA-N 328.456 2.993 0 50 EFAA Cc1cnccc1CNC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 490274674 QNSPBGGIGWPDOP-GFCCVEGCSA-N 331.338 2.641 0 50 EFAA FC(F)c1nnc2ccc(N3CC[C@H](Oc4ccccc4)C3)nn12 371246451 DNWIQULHSBIKCH-LBPRGKRZSA-N 331.326 2.720 0 50 EFAA CNS(=O)(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)C2)cc1 215655811 RPBPMMAYFZXJDF-GOSISDBHSA-N 344.480 2.974 0 50 EFAA O=C(N[C@@H]1CCCN(CC2CCNCC2)C1)c1cc2ccccc2o1 262307173 YJGBRPLRSVTEAD-QGZVFWFLSA-N 341.455 2.627 0 50 EFAA C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ncc(C3CCOCC3)s2)C1 333821694 HSKPXOMOOYQHDQ-NWDGAFQWSA-N 339.461 2.519 0 50 EFAA Cc1nc2c(c(N[C@H](C)c3ccccc3-n3cccn3)n1)CCNCC2 72422859 ZTVOTLKZITUKID-CQSZACIVSA-N 348.454 2.832 0 50 EFAA Cc1nc(CN2CCN(C(=O)c3cccc4cc[nH]c34)CC2)cs1 172978523 XIBPUSLHDKYHOT-UHFFFAOYSA-N 340.452 2.891 0 50 EFAA C[C@H](CS(=O)(=O)NC(=O)CCc1ccsc1)c1ccccc1 129987334 LXPQZGBIOQRXMY-CYBMUJFWSA-N 337.466 2.930 0 50 EFAA c1ccc(-n2cc(CN3CCC(Oc4ccncc4)CC3)nn2)cc1 72131912 OVDSQEYQVUHCGK-UHFFFAOYSA-N 335.411 2.706 0 50 EFAA COC(=O)[C@@H]1[C@@H]2c3ccccc3OC[C@@]23C[C@@H]2N(c4ccccc4)[C@]21O3 229986075 FUYLGVJHJIQVPF-WXYWKWBLSA-N 349.386 2.710 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1nccs1)CC2)[C@@H]1CCCO1 20271161 IUXUMLQANSNJOD-INIZCTEOSA-N 343.452 2.819 0 50 EFAA CCCn1ncc(-c2ccnc(NCCn3nc(C)cc3C)n2)c1C 48371768 OLAKCPJEXJYTOE-UHFFFAOYSA-N 339.447 2.984 0 50 EFAA O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220320 VOFQENQIRRLVSD-RDTXWAMCSA-N 342.418 2.748 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)N1CCN(Cc2cccs2)CC1 426690265 ITSPJICNQBMZLP-LBPRGKRZSA-N 347.488 2.676 0 50 EFAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 95528730 ZOHDTWNZZTWBAR-LBPRGKRZSA-N 348.834 2.826 0 50 EFAA CN(C)Cc1ccc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)o1 97578515 JMOFMUNTPNSOMW-UHFFFAOYSA-N 348.406 2.954 0 50 EFAA Nc1ncnc2ccc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc12 426473562 LDZNSZXJDYLGCS-MRXNPFEDSA-N 348.406 2.788 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95366655 KYTDUZJLZBRMRI-MRXNPFEDSA-N 341.411 2.550 0 50 EFAA CCc1nc(C)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)o1 293514301 YIADJJCRTKRXJN-CQSZACIVSA-N 342.443 2.896 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)NCCCc2ccncc2)c1 92045848 LNNVFXQAPZJAAH-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA O=C(NCCCc1ccccc1F)[C@H]1CC(=O)N(C2CCCC2)C1 91934089 JNSGHVICKMNWJW-HNNXBMFYSA-N 332.419 2.666 0 50 EFAA O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cnn2c1CCC2 294813205 CCMKDHKPJYQORS-GDBMZVCRSA-N 329.444 2.973 0 50 EFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 95384107 PYCLUIDUKBKXPT-SFHVURJKSA-N 348.406 2.734 0 50 EFAA COc1ccc2c(C)c(C(=O)NCCNc3cccnc3)oc2c1 91829275 USJZUTIIDLYAKD-UHFFFAOYSA-N 325.368 2.987 0 50 EFAA CN(CCC(=O)Nc1ccc(F)cc1F)Cc1ccc2nonc2c1 252482288 DCJLRENDLNOHNE-UHFFFAOYSA-N 346.337 2.962 0 50 EFAA Cc1ccccc1CSCC(=O)NC1(C(N)=O)CCCCCC1 299802219 ZEJJPXFOSYEZMO-UHFFFAOYSA-N 334.485 2.923 0 50 EFAA Cc1nc(C)c(C(=O)Nc2ccccc2NC(=O)CN(C)C)s1 823678285 FQTJVSPDOUTNDT-UHFFFAOYSA-N 332.429 2.512 0 50 EFAA CC(C)C(NC(=O)N(Cc1ccccn1)C[C@@H]1CCC(=O)N1)C(C)C 584894505 DXOPKPSQIPSWBM-INIZCTEOSA-N 346.475 2.552 0 50 EFAA COc1cccc(SCC(=O)NCCc2noc(C3CCC3)n2)c1 952978130 KBEHIYRIFHBKAH-UHFFFAOYSA-N 347.440 2.797 0 50 EFAA Cc1ccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(CO)cc2)s1 1565525225 BTKDGANNUHTGOH-HOTGVXAUSA-N 347.436 2.515 0 50 EFAA CC(=O)N(C)CC(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 408515192 CIPIUOHXEGKXAC-UHFFFAOYSA-N 337.376 2.800 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)N[C@H]2COc3c2ccc(C)c3C)n[nH]1 268967851 LNLFJVVNEJIPMG-ZBEGNZNMSA-N 328.416 2.699 0 50 EFAA CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)NC 1470352728 KMYNWRRPFXKWDG-OWCLPIDISA-N 338.496 2.696 0 50 EFAA Cc1ncn(C)c1C(=O)NCc1ccc(COCC(F)(F)F)cc1 170607878 CHOUEJTVZNHDNR-UHFFFAOYSA-N 341.333 2.737 0 50 EFAA CCSCc1cc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)no1 186161522 YFLYTXIJXIPITP-INIZCTEOSA-N 348.424 2.847 0 50 EFAA COc1nnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1 276585644 VMXJIAPWHRQZBD-SCZZXKLOSA-N 340.430 2.602 0 50 EFAA Fc1ccc(CSc2nnc(Cn3cncn3)o2)cc1Cl 188847119 XQQDIVZLGCNRNH-UHFFFAOYSA-N 325.756 2.794 0 50 EFAA CN(C(=O)c1ccnnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190448985 GSQCKJPVECRKPP-KGLIPLIRSA-N 338.194 2.514 0 50 EFAA Cc1ccc(NC(=O)N2CCN(Cc3ncccn3)CC2)cc1Cl 192131947 QOYNQURAQNTZBT-UHFFFAOYSA-N 345.834 2.788 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)c2cc3sccc3[nH]2)C12CCOCC2 192213910 SNEMZXLTKNXKSV-LSDHHAIUSA-N 334.441 2.933 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)c2ccccc21 192942006 BDSXXTDVJFRNFD-LBPRGKRZSA-N 329.377 2.649 0 50 EFAA COc1cc(CN2CCc3c(cccc3NC(C)=O)C2)ccc1O 194973602 YDYQAHFUNRMEHS-UHFFFAOYSA-N 326.396 2.918 0 50 EFAA Cc1n[nH]c(C)c1CCCNc1ncccc1C(=O)N1CCCC1 1529103541 DITWYRMJEZPVTE-UHFFFAOYSA-N 327.432 2.702 0 50 EFAA CCc1c(C(=O)N2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)csc1C 212757427 FKCWKDIOXLOPNQ-CABCVRRESA-N 344.436 2.954 0 50 EFAA Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc1C 1704301289 TWQIVMMRTZNFNM-LJQANCHMSA-N 347.455 2.605 0 50 EFAA COc1ccc2ccccc2c1CN1C[C@@H]2COCC[C@]2(CO)C1 1772711091 WMQAFPTXBRDULP-OXQOHEQNSA-N 327.424 2.679 0 50 EFAA Cc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2C)cc1 11690220 WBBHMEWEUJKZMA-UHFFFAOYSA-N 326.425 2.918 0 50 EFAA CC(C)(CO)CN[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 15063651 ZYWWRSDMUAQQPD-CYBMUJFWSA-N 331.382 2.677 0 50 EFAA O=c1[nH]c(C=Cc2ccc(O)c(Br)c2)nc2cnccc12 1857530787 KGQOJWMLWZKBLA-UHFFFAOYSA-N 344.168 2.957 0 50 EFAA Cc1cc(N2CCC3(CC2)CC(=O)N(C)CCO3)nc2ccccc12 1857672804 IPKBOENYIDFIMU-UHFFFAOYSA-N 339.439 2.761 0 50 EFAA Cc1c(C(=O)NCc2csc(N3CCCC3)n2)nc2ccccn12 1857740748 XXRNKUHHDMNTKU-UHFFFAOYSA-N 341.440 2.629 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)N[C@@H]1CCN(c2ccccn2)C1 124031992 RDXSOTRUZVHKKN-QGZVFWFLSA-N 349.438 2.684 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(F)c1F 237980269 ZVEWRFUQPVBLJV-UWJYBYFXSA-N 327.302 2.962 0 50 EFAA Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccnn2C)c1 240407375 FLSDPWGKZKKERR-UHFFFAOYSA-N 329.791 2.952 0 50 EFAA Cc1c[nH]ccc1=NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 348867227 PZBZVKYKTRBKJE-KBPBESRZSA-N 348.447 2.608 0 50 EFAA Cc1cccc2c1CCCN2S(=O)(=O)c1ccc(CC(=O)O)cc1 673983914 MEGBNUSYEQBDTE-UHFFFAOYSA-N 345.420 2.764 0 50 EFAA CCOc1nc(C)ccc1C(=O)NCc1ccc(-n2cccn2)cc1 252492578 MPOIIJGKEYKCFM-UHFFFAOYSA-N 336.395 2.904 0 50 EFAA Cc1c(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)cnn1C(C)(C)C 261957343 MBTBRMUJNOKIKG-QGZVFWFLSA-N 344.434 2.872 0 50 EFAA O=C(O)c1cccc(N2CCC[C@](CO)(Cc3ccccc3)C2)n1 263414923 NPJWAGSLSFURGM-IBGZPJMESA-N 326.396 2.601 0 50 EFAA O=C(O)[C@H]1CCCCN1Cc1nnn(-c2ccccc2)c1C1CC1 901966755 GYPLLUITJHDQEC-MRXNPFEDSA-N 326.400 2.584 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(Cl)cc2C)C[C@H]1O 1704336935 MZXSRQMYBHFMFA-PBHICJAKSA-N 339.819 2.726 0 50 EFAA NCc1ccc2nc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cn2c1 912182360 GADSDSBJMGPGBL-QGZVFWFLSA-N 338.386 2.909 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@@H]1CCc1ccccc1 917702242 DGGQATKWQNAKIY-IAGOWNOFSA-N 333.453 2.559 0 50 EFAA C[C@H](O)CN(CC(F)F)C(=O)c1noc2c1CCc1ccccc1-2 821853270 QIVXCZYPJHZVRF-JTQLQIEISA-N 336.338 2.528 0 50 EFAA Cc1noc(C(C)C)c1NC(=O)N1CCNC(=O)[C@@H]1c1cccs1 932863536 QNCAEJPQZCAZFV-ZDUSSCGKSA-N 348.428 2.873 0 50 EFAA Cc1cc(C)n2ncc(-c3noc(CN(C)CC(C)(C)C)n3)c2n1 874435276 QIXWVRYMXSCCMV-UHFFFAOYSA-N 328.420 2.874 0 50 EFAA Cn1ccc2ccc(NCc3cnn([C@H]4CC4(F)F)c3)cc2c1=O 1875291252 SJYBOMRRYAPNEN-HNNXBMFYSA-N 330.338 2.927 0 50 EFAA O=C(Nc1ccccc1Cc1ccccn1)c1cnn2ccncc12 1875259090 MHAMHCMIHKBUHG-UHFFFAOYSA-N 329.363 2.967 0 50 EFAA Cc1[nH]c2cc(Cl)ccc2c1CCNC(=O)[C@H](N)[C@@H]1CC[C@@H](C)O1 1875316141 XFIYNIZUONINQN-GPNNCHTKSA-N 349.862 2.683 0 50 EFAA C[C@H]1CC2(CCCC2)CN1CC(=O)Nc1cccc(C(=O)N(C)C)c1 1875353756 FRKMUUPZYAGQMY-HNNXBMFYSA-N 343.471 2.982 0 50 EFAA O=C1Cc2cccc(NS(=O)(=O)c3sccc3C3CC3)c2N1 1875310579 VAWUHRUTHFYQRC-UHFFFAOYSA-N 334.422 2.921 0 50 EFAA Cn1nc(C(=O)N2CC[C@H](C3(C(=O)O)CC3)c3ccccc32)cc1F 1875334604 WVSCDPSVICWNSH-LBPRGKRZSA-N 343.358 2.558 0 50 EFAA COC(=O)/C=C/C(=O)N1[C@H]2CC[C@@H]1c1ccc(-c3ccnn3C)cc12 1875379408 TYRHIVWUBIQRET-PWHGLLLSSA-N 337.379 2.535 0 50 EFAA O=C(OCCO)[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 888096984 UDAYFMNBZIHHEH-JTQLQIEISA-N 346.132 2.722 0 50 EFAA CCc1ncnc(N2CC(c3nc(-c4ccccc4)no3)C2)c1F 896646895 GJJDRGZTKYLMGD-UHFFFAOYSA-N 325.347 2.832 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(=O)O)cc1 262741261 AKBYBBIQLMPRRF-KBXCAEBGSA-N 338.407 2.635 0 50 EFAA OC[C@H](N=c1cc[nH]c2ccccc12)[C@@H](O)c1ccc(Cl)cc1 2325840106 PFTUPHDYRRDRBK-ROUUACIJSA-N 328.799 2.817 0 50 EFAA O=C(Nc1ccc(-c2cncnc2)cc1)c1ncoc1[C@H]1CCCN1 2325856287 JFILCCJYQGVVOR-OAHLLOKOSA-N 335.367 2.808 0 50 EFAA COc1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 4976247 MPNQUWRTXPUMEC-UHFFFAOYSA-N 328.368 2.779 0 50 EFAA Cn1ncc2c(N3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)ccnc21 343247232 VQLUMONGDUZJDY-ZBEGNZNMSA-N 330.338 2.559 0 50 EFAA Cc1nsc(NC(=O)N2CCC([C@@H](O)c3cccs3)CC2)n1 55359035 BHYVVMBRDHBRIO-GFCCVEGCSA-N 338.458 2.886 0 50 EFAA COc1cccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c1OC 112670153 UFKVMFUCACWESA-UHFFFAOYSA-N 343.427 2.759 0 50 EFAA c1cc(-c2ccc(CN3CCC(N4CCSCC4)CC3)o2)n[nH]1 67850925 QRTVFLZBPPKJQD-UHFFFAOYSA-N 332.473 2.683 0 50 EFAA CC(C)CN1CCCC[C@@H]1Cc1nc2c([nH]1)CC(C)(C)CNC2=O 65528014 NQWNOMUCGAPBOJ-CQSZACIVSA-N 332.492 2.775 0 50 EFAA CCCc1cc(CNC(=O)c2ccc(N3CCC[C@H]3C)nc2)on1 67921983 JNEFGYLWTAJDQM-CYBMUJFWSA-N 328.416 2.941 0 50 EFAA COC(=O)[C@H]1C[C@@H](O)CCN1CC(c1ccccc1)c1ccccc1 65533421 XLPBVUSNUCSVEK-AZUAARDMSA-N 339.435 2.817 0 50 EFAA Cc1cccc(-n2nc(CC(C)C)nc2CCc2nncn2C)c1C 65500634 UYNZJFBLORPGIC-UHFFFAOYSA-N 338.459 2.996 0 50 EFAA C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)NCc1ccncn1 422205635 JLRCTNWODQPHTL-GOSISDBHSA-N 328.391 2.923 0 50 EFAA C[C@H]1C[C@@H](C)CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)C1 119382088 DLMNBVPFKGJUSM-STQMWFEESA-N 345.468 2.580 0 50 EFAA Cc1cc(C)n([C@H](C)CNC(=O)c2cccc(Cn3cccn3)c2)n1 65459918 ZVECMDAGTDQGFC-MRXNPFEDSA-N 337.427 2.736 0 50 EFAA c1ccc(NCCNc2nc(-c3ccncc3)nc3c2CCNC3)cc1 67851856 GAAIFUXODPDWTL-UHFFFAOYSA-N 346.438 2.708 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)N1CC[C@@H](Oc3ccccn3)C1)O2 330008302 GNXJFOXRNHNGMW-AEFFLSMTSA-N 338.407 2.764 0 50 EFAA CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 124912018 ALZLRUUMQLNXLT-ZBFHGGJFSA-N 339.457 2.513 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2c[nH]cn2)CC1 253419704 BSWXNXLRGMKTHT-INIZCTEOSA-N 340.427 2.995 0 50 EFAA CN1CCN(C(=O)c2cc3c(cn2)OCCC3)c2cc(F)ccc21 253426078 LSEQTLKYTXFNKU-UHFFFAOYSA-N 327.359 2.642 0 50 EFAA COCCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cn1 39466090 IYGGHQMXISRRPF-UHFFFAOYSA-N 326.356 2.866 0 50 EFAA Cn1ccc(CN[C@H]2CCN(c3ccccc3Br)C2)n1 253418594 NXQCLGHBZLQFIC-ZDUSSCGKSA-N 335.249 2.551 0 50 EFAA CCN1CCN([C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C2)CC1 127160853 PWJUUEHHYNWEOF-GOSISDBHSA-N 335.536 2.831 0 50 EFAA Cc1sc2nc([C@H](C)N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)nc(O)c2c1C 333026117 AOHOXSIYXXYGJQ-DDNRWTCHSA-N 343.452 2.960 0 50 EFAA Cc1ccoc1C(=O)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72476534 OGPIEMOKRRSZQX-UHFFFAOYSA-N 347.342 2.866 0 50 EFAA Cc1cccc(-c2nc(CC(=O)N3CC[C@@H](N)C[C@H]3C)cs2)c1 237399213 CGTHKYDEFARHBT-UKRRQHHQSA-N 329.469 2.999 0 50 EFAA Cc1nc(CC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)cs1 77341091 GVOOWDXYJJHTJK-OAHLLOKOSA-N 329.469 2.979 0 50 EFAA O=C(c1[nH]nnc1-c1ccccc1)N1CC[C@@H](Oc2ccccc2)C1 369046345 FMFNYJYVZLFKIX-MRXNPFEDSA-N 334.379 2.765 0 50 EFAA CC(C)=CCN1CCN(Cc2cc(C)c(O)c(C)c2)C[C@H]1CCO 39405708 NIVGVCYETHOTDA-LJQANCHMSA-N 332.488 2.844 0 50 EFAA CCc1ncsc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 157311640 GSXDRKKRSAKVFV-LLVKDONJSA-N 345.424 2.706 0 50 EFAA Cc1ccc(C)c(OCCCN(C)Cc2cc3n(n2)CCCNC3)c1 72161153 WGLMXPVMJUAIMD-UHFFFAOYSA-N 342.487 2.894 0 50 EFAA CCCc1nc(N[C@H](c2nccn2C)C(C)C)c2cnn(C)c2n1 72473087 SNJAVTATDWEFRN-AWEZNQCLSA-N 327.436 2.859 0 50 EFAA CN(CC1(CO)CC1)c1cc(-c2ccccc2F)nc2ccnn12 72140244 PSGYNVPKMRLYMC-UHFFFAOYSA-N 326.375 2.744 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cn12 263049788 NBKGSTAUWUMTJV-UHFFFAOYSA-N 345.403 2.618 0 50 EFAA COc1ccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 174291077 BEAMSCNFPULAGZ-UHFFFAOYSA-N 325.368 2.867 0 50 EFAA CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 242339046 ZELADUBFLZWTJA-WBVHZDCISA-N 335.517 2.561 0 50 EFAA COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)c(OC)c1 284811861 UAAMWWDDBRCPNS-GOSISDBHSA-N 345.443 2.695 0 50 EFAA COc1ccccc1CC(=O)N1CCC(NC2CCSCC2)CC1 131585286 CFHQVUADYCCYPF-UHFFFAOYSA-N 348.512 2.714 0 50 EFAA Cc1cccc(N(CCC(N)=O)C(=O)c2cccc3nc(C)[nH]c23)c1 338579039 DMJFGUCZCQHJHZ-UHFFFAOYSA-N 336.395 2.702 0 50 EFAA O=C(NCCSCc1ccccc1F)N[C@H]1CCc2[nH]ncc2C1 178483273 QXLLYNZYYXRCFI-AWEZNQCLSA-N 348.447 2.639 0 50 EFAA O=C(CCc1ccccn1)N1CCCN(c2ccc(F)cc2)CC1 82115796 YJLSNFGPOCVZCX-UHFFFAOYSA-N 327.403 2.892 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cnn2c1CCCC2 82098073 PPGCZKNIFGHFMN-UHFFFAOYSA-N 335.411 2.677 0 50 EFAA Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c2cc(Cl)ccc2n1 97635028 CWDSALNMBUCBQC-INIZCTEOSA-N 345.830 2.793 0 50 EFAA CCOc1ncccc1CNC(=O)Cn1ccnc1-c1ccccc1 95505354 IRJSZWLNHIAWOX-UHFFFAOYSA-N 336.395 2.660 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3COc4ccccc4C3)CC2)n1 95512549 BGMFDQBQMCEQQK-KRWDZBQOSA-N 339.439 2.648 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3COc4ccccc4C3)[nH]n2)o1 95528780 LWJFEPRLKRWHDN-CYBMUJFWSA-N 337.379 2.959 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1cc(C(=O)NC3CC3)ccn1)C2 91724498 FJUBRQJDCUHUCR-CYBMUJFWSA-N 338.407 2.776 0 50 EFAA O=C(CC[C@@H]1CCOC1)NCc1c(Cl)cccc1-n1ccnc1 294448793 PXERIGGXNTWRMD-CYBMUJFWSA-N 333.819 2.959 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)[nH]n2)s1 91663340 POEOQTUIHSMHNN-UHFFFAOYSA-N 347.469 2.848 0 50 EFAA CCN(CC(F)(F)F)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1 95509747 DUKIRPUCCUZPQM-GFCCVEGCSA-N 330.306 2.591 0 50 EFAA N#Cc1cccc(-c2cn(Cc3csc(N4CCCC4)n3)nn2)c1 92077668 DVFNAILOHWZRSN-UHFFFAOYSA-N 336.424 2.922 0 50 EFAA CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CC(N)C1 295363701 ZSQOQYZDYWQLBK-UHFFFAOYSA-N 344.436 2.748 0 50 EFAA Cc1noc(C)c1CCC(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12 253414739 YKQNIDCTPIKJMA-FUHWJXTLSA-N 333.476 2.947 0 50 EFAA biogenic O=C([C@@H]1CCc2ccccc21)N1CCCN(c2nccs2)CC1 354888794 PYADWQMRTMAEPN-MRXNPFEDSA-N 327.453 2.912 0 50 EFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCCn1cccn1 362529212 FLYAMCRREZUGPM-IBGZPJMESA-N 340.471 2.644 0 50 EFAA CCc1nccn1CCC(=O)N[C@H](c1ccccn1)C(F)(F)F 823557387 OYLKVEBGRYDNRZ-CQSZACIVSA-N 326.322 2.650 0 50 EFAA Cc1cccc(-c2noc(CC3CCN(C(=O)C(C)C)CC3)n2)n1 1364006610 STUYGYVRICKIAP-UHFFFAOYSA-N 328.416 2.877 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)s1 1565510283 BKZKUJURWNZLEM-HIFRSBDPSA-N 347.484 2.623 0 50 EFAA C[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc(O)c(F)c1 952970371 RLSBEQIBBOYSTJ-CYBMUJFWSA-N 344.386 2.859 0 50 EFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@@H]1CC(C(C)C)=NO1 952990887 JHUSMYOFZBTFAL-INIZCTEOSA-N 340.383 2.897 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cc1cc(C)ccc1C 275436610 VINHJFWNLFILTC-WMZOPIPTSA-N 327.428 2.709 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1nccc(C(F)(F)F)n1 275646398 UBXCOLQBKSPLSA-GXFFZTMASA-N 341.337 2.902 0 50 EFAA Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2n1 408515467 BZBRFNKABOKYCT-UHFFFAOYSA-N 328.806 2.553 0 50 EFAA C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccccc1Cl 189614624 NVQLEJDYLUXNPH-LBPRGKRZSA-N 331.803 2.895 0 50 EFAA CO[C@@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CC[C@H]1C 190615010 YPCHPCUTHLNINR-CRAIPNDOSA-N 331.460 2.722 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1nccc2ccccc12 194553658 BTGSZINVLUGBHP-QGZVFWFLSA-N 332.359 2.887 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)NC3CCc4ccccc4CC3)C2)n1 656205140 YNMIWKFOONVGNW-INIZCTEOSA-N 340.427 2.825 0 50 EFAA COc1cc2ccc(C(=O)N3CCC[C@@H]3C(=O)O)cc2cc1OC 659150032 QTSWXVUPWCRAQZ-CQSZACIVSA-N 329.352 2.546 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1cnn(Cc2ccccc2)c1 667932046 VGMJUXCNABOVNS-FUHWJXTLSA-N 337.427 2.855 0 50 EFAA CCOc1ccccc1C(=O)N1CCCN(CC[C@@H]2CCOC2)CC1 989586399 PWBJUTDZZDGYPK-QGZVFWFLSA-N 346.471 2.660 0 50 EFAA CCCOc1ccccc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529145215 DBOZMIUBIWZNJK-AEFFLSMTSA-N 340.423 2.858 0 50 EFAA Nc1nc(NCC[C@H](c2ccccc2)c2ccco2)cc2nncn12 1529179072 UTNYNQXUQOJTOM-CQSZACIVSA-N 334.383 2.934 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc3cc(Cl)ccc3n1)C2 1772705960 LIIMVFIZGNGRRJ-RDTXWAMCSA-N 332.831 2.719 0 50 EFAA CCN(CC)C(=O)CC[C@@]1(Cc2cccc(OC)c2)CCC(=O)N1 11880159 QERYGEYFONSRPN-LJQANCHMSA-N 332.444 2.535 0 50 EFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccccc1 12430568 QPDVQEYKIMJYGZ-LJQANCHMSA-N 348.446 2.617 0 50 EFAA CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13717754 XZZLQNJJYFAEMQ-UHFFFAOYSA-N 325.372 2.573 0 50 EFAA CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 16580559 ARBFTMPJWIMYSL-LLVKDONJSA-N 328.815 2.847 0 50 EFAA Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 17070430 ODCXZHLISDDBGO-UHFFFAOYSA-N 346.452 2.817 0 50 EFAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1Cc1cccs1 19535592 UQDXFNAOYIBGLL-MRXNPFEDSA-N 332.469 2.523 0 50 EFAA Cc1ccc(C2=NOC3(CCN(C(=O)c4cccs4)CC3)N2)cc1 169754984 IQXDCIGGIRCFRE-UHFFFAOYSA-N 341.436 2.970 0 50 EFAA O[C@H]1C[C@@H]2CN(Cc3cccc(OCCN4CCCCC4)c3)C[C@@H]2C1 1857695898 DEKXQXZJEXZLTA-PMOLBWCYSA-N 344.499 2.754 0 50 EFAA CCn1nc(C)cc1C(=O)Nc1cccc(OCCCN(C)C)c1 110490139 TUWCDEINHJDDBA-UHFFFAOYSA-N 330.432 2.794 0 50 EFAA CO[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)[C@H](C)C1 225649971 MJTORIFLEAEUPY-CRAIPNDOSA-N 342.443 2.624 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](CC(=O)O)c3ccccc32)cc1F 327129854 GKVKBVOBAWZZEO-CYBMUJFWSA-N 343.354 2.982 0 50 EFAA CC(C)Sc1ccccc1C(=O)N1CCO[C@@H](c2ncon2)C1 242302422 YSLLHFXUSLUDPR-CYBMUJFWSA-N 333.413 2.784 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)[C@@]1(O)CCc2ccccc2C1 339926599 PKLXABIEZINNHN-LJQANCHMSA-N 342.464 2.558 0 50 EFAA C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)O1 245281347 ATWSESOKXHSIML-BPQIPLTHSA-N 344.455 2.755 0 50 EFAA Cn1cc(-c2cccc(CNC(=O)[C@@](C)(O)Cc3ccccc3)c2)cn1 342995334 CLZVVRXLUMPREW-NRFANRHFSA-N 349.434 2.697 0 50 EFAA N[C@H]1CC[C@@H](C(=O)N2CCc3[nH]c(-c4ccc(Cl)cc4)nc3C2)C1 247701887 ABXLBMILKCMIOR-OCCSQVGLSA-N 344.846 2.742 0 50 EFAA CCc1ccc(NC(=O)CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 372301461 NGCIWRRFDQOIBD-NRFANRHFSA-N 349.434 2.783 0 50 EFAA CC1=NN(c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)O)cc2)CC1 262362938 JJXQSJABBVKGEA-INIZCTEOSA-N 341.411 2.600 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)cn1 262509218 JUZVLMGJYMNLRM-KRWDZBQOSA-N 340.379 2.693 0 50 EFAA CC[C@H](C(=O)O)C(=O)Nc1cccc(Br)c1COC 909405252 URFMJWGEEAEXMM-QMMMGPOBSA-N 330.178 2.645 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c1 952889639 DFIONJDTTHDYNR-CABCVRRESA-N 349.456 2.685 0 50 EFAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CO[C@@H]3CCCC[C@H]23)cn1 1875280530 SWEBRPPJKFRBMZ-BZUAXINKSA-N 326.400 2.719 0 50 EFAA O=C1Nc2ccccc2S(=O)(=O)N1Cc1nc(C2CC2)cs1 1875259054 DAJDSCAKYFAQFG-UHFFFAOYSA-N 335.410 2.757 0 50 EFAA O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)c1cscn1 1875333457 WBQFNNOGFGTXTF-UHFFFAOYSA-N 339.302 2.698 0 50 EFAA CC(=O)N1CC[C@@H](N(C)c2nc(-c3cccnc3)nc3ccccc23)C1 1875359211 XZCRZFXDVZSBCE-MRXNPFEDSA-N 347.422 2.749 0 50 EFAA CN(C)C(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)CC1=CCCCC1)C2 1875394765 WDYYITOOOPLSLC-LZWOXQAQSA-N 343.427 2.581 0 50 EFAA 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332.816 2.852 0 50 EFAA O=C(NCc1cc(Cl)ccn1)[C@H]1CCN(c2ccc(F)cc2)C1=O 344668093 QBGJKVGOSQEBBX-OAHLLOKOSA-N 347.777 2.543 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H](c2ccccc2)O1 248162328 YCPYTMHTCWOKET-BVPBIZIASA-N 325.412 2.512 0 50 EFAA Nc1ccnc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 67774823 RCCNSFMMENVZJK-UHFFFAOYSA-N 334.427 2.757 0 50 EFAA CC(C)Cc1nc(CNC(=O)c2cnc(-c3ccccc3)nc2)no1 65508652 BXULURWVESPLGO-UHFFFAOYSA-N 337.383 2.655 0 50 EFAA O=C(COc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 20149594 QUYBWLZKZHSABQ-JXMROGBWSA-N 336.435 2.923 0 50 EFAA C/C=C/c1ccc(OCCCCNCCN2CCOCC2)c(OC)c1 20482327 NHYYYPNESHRCNG-ZZXKWVIFSA-N 348.487 2.809 0 50 EFAA CCN(CC)c1ccc(NC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cn1 229753142 PPJCFSIZBGSMCQ-CVEARBPZSA-N 331.464 2.676 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2csc(-c3ccnc(O)c3)n2)cc1 352276048 RTOOQCYZOXGRTJ-UHFFFAOYSA-N 347.421 2.949 0 50 EFAA Cc1nc(CCN2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)cs1 120476562 XNYDSMYMPFUSHB-GASCZTMLSA-N 337.533 2.815 0 50 EFAA 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Cc1c(Br)cccc1CC(=O)N1CC2(CCOCC2)C1 1362469424 OGIOYZTXQMTEKM-UHFFFAOYSA-N 338.245 2.939 0 50 EFAA COC(=O)c1ccc(Br)cc1I 69589408 VAYKANWZAJRNOM-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(F)cc1O 269062904 QOQUMUPZRCNLCF-UHFFFAOYSA-N 348.399 2.896 0 50 EFAA CN(C[C@@H](O)c1ccc(O)cc1)C(=O)Cc1cc(F)c(F)cc1F 888105043 VHCGMKQZRZOUJL-MRXNPFEDSA-N 339.313 2.544 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)c1 273226732 DLKRNZBVQUCOQE-VWHWKWRLSA-N 342.439 2.969 0 50 EFAA O=C1C[C@H](N[C@@H](c2ccccc2)c2ccccn2)CN1CC(F)(F)F 170070223 ZLVGHMWPRTUVSA-YOEHRIQHSA-N 349.356 2.924 0 50 EFAA Cc1c(C(=O)NCc2noc(-c3cccs3)n2)cnn1CC(C)C 408513742 SYVDYEVVFDDQMS-UHFFFAOYSA-N 345.428 2.889 0 50 EFAA CCOC[C@@H]1CCN(C(=O)[C@H]2CCCN(CCc3ccccc3)C2)C1 408517971 QPUBZPPUAJOVGG-UXHICEINSA-N 344.499 2.826 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)cn1 189660897 PLKJKYQQMBBSEI-CABCVRRESA-N 331.464 2.804 0 50 EFAA CCO[C@H]1C[C@]2(NC(=O)N(C3CCC(C(F)F)CC3)C2=O)C1(C)C 642967171 MOVSVQAVVSPTPH-OYOGHDGKSA-N 344.402 2.936 0 50 EFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 193067836 QUXFLGAIKCZALB-MRXNPFEDSA-N 335.411 2.626 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(C2CC2)on1 193786849 WYPKOQZLZZMNHD-HNNXBMFYSA-N 325.412 2.804 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 195373647 RPUZNAMKGGSFAR-GOEBONIOSA-N 348.468 2.548 0 50 EFAA CCC[C@]1(CO)CN(C(=O)c2csc3ccccc23)CC[C@H]1O 1529106730 RCFOOHMLKCMAJW-SJLPKXTDSA-N 333.453 2.887 0 50 EFAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(c3nnc4ccccn34)C[C@@H]21 1704327853 IFMFFPPOUPLBIR-SYNHAJSKSA-N 334.423 2.853 0 50 EFAA C[C@@H]1CCCN(C(=O)c2sccc2Br)[C@H]1C(=O)O 235296487 SXXDPFLXAONCCM-VXNVDRBHSA-N 332.219 2.836 0 50 EFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CCC(N)CC1 236611925 QCQNOKVBTYOEBX-UHFFFAOYSA-N 341.249 2.800 0 50 EFAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(O)ccc1F 1772708753 BTACWMROXGKCNR-UHFFFAOYSA-N 325.343 2.955 0 50 EFAA CN(Cc1ccco1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 12300462 FSZRHTDPLMXQKV-UHFFFAOYSA-N 335.367 2.673 0 50 EFAA COCCNc1nc2nonc2nc1N[C@H](C)c1ccccc1Cl 12385788 RBQWIMJVRSKSDX-SECBINFHSA-N 348.794 2.898 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1 19641035 QYGCDGCMPMNRFW-HXUWFJFHSA-N 328.431 2.895 0 50 EFAA c1ccc(-c2nc([C@@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)cc1 1857682406 PBUZDHJEGKPKJL-OAHLLOKOSA-N 343.394 2.651 0 50 EFAA Cc1nn(C)cc1-n1ccnc1-c1ccc(OCCN(C)C)cc1 1857692741 RTSLKEZVYXYCCQ-UHFFFAOYSA-N 325.416 2.522 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@]23CC[C@H]1O3 1857720070 CLLLYQWLGRRCMO-KLZCAUPSSA-N 342.270 2.934 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857739475 LIMMOXHSZJBLLO-OKZBNKHCSA-N 348.874 2.641 0 50 EFAA O=C(O)c1cccc(CCNC(=O)c2cncc(Br)c2)c1 111403563 QDYUMRRYVIYBMQ-UHFFFAOYSA-N 349.184 2.515 0 50 EFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 116782724 RIPRUHGTWHKEKL-KRWDZBQOSA-N 344.434 2.905 0 50 EFAA F[C@H]1C[C@@H](CN[C@@H]2CCC[C@H](C3CC3)C2)N(Cc2cncnc2)C1 328642132 QVZTYKUHNUUZBL-OKYOBFRVSA-N 332.467 2.947 0 50 EFAA Cc1noc([C@@H](NCc2cnn(C(C)(C)C)c2)C2CCOCC2)n1 328622300 IKHWWPNWQLJLBI-HNNXBMFYSA-N 333.436 2.587 0 50 EFAA COc1ccc(Cl)c(CN2CCN(C)[C@@H](c3nc(C)no3)C2)c1 332369674 WLMJDIHZFZGDPI-OAHLLOKOSA-N 336.823 2.529 0 50 EFAA CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccncc2)C1 126289133 YVLQGKVLXYQXFR-IRXDYDNUSA-N 329.444 2.784 0 50 EFAA COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1C(=O)O 237316167 NQOPZKRFILXVIQ-HZPDHXFCSA-N 343.354 2.952 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 252497433 QHPGQVUNPUUWNA-BBWFWOEESA-N 335.469 2.552 0 50 EFAA O=C(NC[C@@H](O)C(F)F)c1cccc(OCc2cccs2)c1 253430323 YUOBTNDOUDRIHB-CYBMUJFWSA-N 327.352 2.683 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1csc(O)n1 359166631 KFIODGHBHQWSPQ-UHFFFAOYSA-N 348.815 2.926 0 50 EFAA CCc1nc([C@H]2CCCN2C(=O)c2cc(OC)ccc2OC)no1 363625197 SZEGWFWWKXOTOU-CYBMUJFWSA-N 331.372 2.627 0 50 EFAA CN(C)c1ccnc(CNC(=O)Nc2ncc(C(F)(F)F)s2)c1 931051003 VKAPECSOFPFWSD-UHFFFAOYSA-N 345.350 2.945 0 50 EFAA CCc1nc[nH]c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 857841721 BNDWJKVOHAGQJW-HNNXBMFYSA-N 326.444 2.709 0 50 EFAA Cn1cnc([C@@H]2CN(Cc3ccccc3Oc3cccnc3)C[C@H]2N)c1 864296503 CSAGDMLDIMLDMZ-QZTJIDSGSA-N 349.438 2.534 0 50 EFAA Cc1cccc2cc(C(=O)N3CSC[C@@H]3C(=O)NCC3CC3)[nH]c12 1875252410 RWTDFTFRYCAMFP-OAHLLOKOSA-N 343.452 2.518 0 50 EFAA O=C(O)[C@@H](CNCc1ccc2nc(O)[nH]c2c1)c1cc(F)ccc1F 1875355091 ZUGGJDYUCJATBC-LBPRGKRZSA-N 347.321 2.505 0 50 EFAA CC(C)[C@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCC1 1875344303 BNPREEYKDRWCAU-FQEVSTJZSA-N 347.478 2.889 0 50 EFAA CSC[C@H]1CCN(C(=O)c2ncn3c2COc2ccccc2-3)C1 1875306479 HZPVBHJBHLUHSJ-LBPRGKRZSA-N 329.425 2.590 0 50 EFAA O=C(N[C@@H]1CSc2ccccc21)[C@@H]1CC(C2CCOCC2)=NO1 1875300795 QWDCOABRLODGPG-CABCVRRESA-N 332.425 2.521 0 50 EFAA COc1cccc(CN(C)C(=O)[C@H]2CCc3cc(C)ccc3O2)n1 885710226 OHKPTJOUROYFSC-QGZVFWFLSA-N 326.396 2.751 0 50 EFAA O=C(NCCc1c(F)cc(O)cc1F)[C@H]1CCc2cccc(O)c21 886268493 QYUYMXZHZGOCSC-ZDUSSCGKSA-N 333.334 2.765 0 50 EFAA c1ccc(-c2nnc3n2CCN(Cc2cnn(C4CCC4)c2)C3)cc1 892186377 ZGYOPZBBBIMBSN-UHFFFAOYSA-N 334.427 2.882 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCN1 892503427 HSGKKDZHLRNDDC-SECBINFHSA-N 335.757 2.862 0 50 EFAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 4653431 NPPVMCVYEYWVKJ-CQSZACIVSA-N 337.206 2.820 0 50 EFAA N[C@H](CCNC(=O)NC1C[C@@H]2CC[C@H](C1)S2)Cc1ccccc1 2325766317 ZDURIITVYNIKRX-MGNMYUMUSA-N 333.501 2.672 0 50 EFAA COc1ccc(C(=O)NC2CCC3(CC2)C[C@H]3N)c2ccncc12 2325813455 CANYHWJUDKPTDS-NNKNWRJCSA-N 325.412 2.633 0 50 EFAA CC(C)OC(=O)c1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 148899 LZAMLWVXUVJMPU-UHFFFAOYSA-N 328.151 2.814 0 50 EFAA in-vitro COc1ccc(C(NC(=O)[C@H]2CCCN2)c2ccc(OC)cc2)cc1 2529351 OYJOLJUIMPKTKZ-GOSISDBHSA-N 340.423 2.661 0 50 EFAA CC(C)NC(=O)CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356144030 HCWZDBKKUGHBQB-UHFFFAOYSA-N 337.763 2.630 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2nc(C(C)C)cs2)CC[C@H]1O 2356159758 PGCIKPLIGKOQIS-CZUORRHYSA-N 326.462 2.704 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccncc2)ccc1Br 4970418 FSMTUWREXXUEJH-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA Cc1cccc(NC2=N[C@H](c3cccnc3)n3c(nc(C)cc3=O)N2)c1 4998501 WTSSUWNJHIIVFC-KRWDZBQOSA-N 346.394 2.696 0 50 EFAA CC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 6022577 UKKILJPCHXIRPR-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA Cc1noc(C)c1S(=O)(=O)NCCCn1ccc2ccccc21 7059508 JKRGBWFTWVFKEI-UHFFFAOYSA-N 333.413 2.615 0 50 EFAA COc1ccc(F)cc1[C@@H](C(=O)O)N(C)CCCc1c(C)n[nH]c1C 55342712 WMOGXVOPJILAIQ-KRWDZBQOSA-N 349.406 2.865 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccc2N1 225620569 DDJBKWGHSHEUDG-JQHSSLGASA-N 342.439 2.727 0 50 EFAA COc1ccc(C2(C(=O)NCCCn3cccn3)CCCC2)cc1 58795435 BYZZBOKWWSUVDM-UHFFFAOYSA-N 327.428 2.910 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)Cc1c(C)nn(C)c1Cl 55308727 NBOBLRSYDQPRBB-UHFFFAOYSA-N 325.844 2.986 0 50 EFAA Cc1ccc(C)c(CCNC(=O)CCNC(=O)c2ccccc2F)c1 55343070 RDHNEJTTZAFAGE-UHFFFAOYSA-N 342.414 2.921 0 50 EFAA Cn1c(Cl)cnc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 246723317 OEWHFQHIGOPEHQ-MFKMUULPSA-N 327.762 2.660 0 50 EFAA CCOc1cc(CN(CC)[C@H]2COC[C@@H]2O)cc(Cl)c1OCC 55309027 MWAZZVNVJUPDRD-GJZGRUSLSA-N 343.851 2.719 0 50 EFAA Cc1csc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1 100613795 FONSRLOMUWWQIA-UHFFFAOYSA-N 341.392 2.671 0 50 EFAA Cc1cnc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccco3)C2)cn1 67967501 ASOOJGBPVHQMRD-WUTVXBCWSA-N 340.427 2.533 0 50 EFAA C[C@@H]1Cc2ccccc2N1C[C@@H](O)COCc1ccc2c(c1)OCO2 248400405 XPHFJIWVUOZTKM-RHSMWYFYSA-N 341.407 2.744 0 50 EFAA CCc1nccn1CCC(=O)N1CC[C@@H](c2sccc2C)[C@H](O)C1 65381281 BPZFJWDCAHUOLI-HUUCEWRRSA-N 347.484 2.583 0 50 EFAA COCc1nc(NC(=O)CC2(Cn3cccc3)CCCCC2)n[nH]1 409413073 BKLHWNDMDNSYAG-UHFFFAOYSA-N 331.420 2.732 0 50 EFAA Cc1cc(C(=O)N2CCN(C(=O)c3cccn3C(C)C)CC2)c(C)o1 119200813 SHDWBPPJEDYTIE-UHFFFAOYSA-N 343.427 2.877 0 50 EFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 229395902 OYTXKAXEKLIOLR-QZTJIDSGSA-N 343.402 2.755 0 50 EFAA C[C@H](C(=O)N1CCOCC1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 229784587 OBKGRJPNTCYUSW-NVXWUHKLSA-N 341.455 2.595 0 50 EFAA COc1ccccc1-c1cc(C(=O)NCc2cnc3c(c2)CCC3)[nH]n1 67649331 ZTGHIGZMEWLMKJ-UHFFFAOYSA-N 348.406 2.899 0 50 EFAA c1ccc2c(c1)cnn2CCCN[C@H]1CCOC2(CCOCC2)C1 77437881 VPBUUDLWJCETAI-KRWDZBQOSA-N 329.444 2.744 0 50 EFAA CC[C@](O)(C(=O)Nc1ccnc2ccnn12)c1cccc(Cl)c1 253397083 CFHNSLLFSWOOOU-MRXNPFEDSA-N 330.775 2.619 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccc3c[nH]nc23)C1 328588271 AMVFFMYYLRJXHO-KRWDZBQOSA-N 335.455 2.912 0 50 EFAA CC(C)c1noc([C@@H](N[C@H](C)Cn2cccn2)C2CCOCC2)n1 328633094 SKSKMVOCFSOVFA-HIFRSBDPSA-N 333.436 2.536 0 50 EFAA O=S1(=O)CCCN1[C@H]1CCCN(CCSC2CCCCC2)C1 253398467 RAYWELQYFDFJSX-HNNXBMFYSA-N 346.562 2.552 0 50 EFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](c1ccccc1)C1CC1 123004584 DZYPJBCCMWCKIC-RDJZCZTQSA-N 340.427 2.569 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@H]3CCCCNC3=O)c2c1 72468355 DIGRVUGSVPGFEE-INIZCTEOSA-N 325.412 2.559 0 50 EFAA CCNc1nc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cs1 358434331 XYWDXVQNKPBQAO-UHFFFAOYSA-N 327.413 3.321 0 50 EFAA CSc1ccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 282898428 ZWVDFUJRWNNOHH-JTQLQIEISA-N 348.877 2.713 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(N)nc2)c2ccncc2)cc1 215969597 HJAAVFBYYWQNER-GOSISDBHSA-N 334.379 2.587 0 50 EFAA CCOC(=O)CN1CCC2(CC1)CCN(C(=O)C(CC)CC)CC2 72145103 ZLBVVSFWHZWJIL-UHFFFAOYSA-N 338.492 2.690 0 50 EFAA CC(C)(O)CCc1ccc(CN2CCC3(CC2)COC(=O)O3)cc1 72481462 DYYVUMVZNLECIC-UHFFFAOYSA-N 333.428 2.892 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 364959280 YROSMHLURSDSPR-AWEZNQCLSA-N 329.404 2.583 0 50 EFAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@H]1c1ccc(F)cc1 241720847 QSVFISJJLANJEF-RCCFBDPRSA-N 347.434 2.535 0 50 EFAA Cn1cc(C(=O)CCC(=O)N[C@H]2CCCOc3c(F)cccc32)cn1 241862492 SQLAKHWCDIZKGZ-HNNXBMFYSA-N 345.374 2.552 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1scc3c1CCCC3)CCNC2 72410037 SOIGTVGUZNUJEC-UHFFFAOYSA-N 341.480 2.906 0 50 EFAA C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 173745525 YVJWQKQTGPFPOG-GFCCVEGCSA-N 336.395 2.589 0 50 EFAA CN1C[C@]2(CCN(C(=O)C3c4ccccc4-c4ccccc43)C2)OC1=O 72174159 HAMFAXZBAOATHC-NRFANRHFSA-N 348.402 2.852 0 50 EFAA CCO[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)C12CCC2 333431826 NPSFQRFHXSTYCU-FRRDWIJNSA-N 337.432 2.689 0 50 EFAA O=C(c1cnn(-c2ccccc2)c1)N1CC[C@H](Oc2ccccn2)C1 370549193 NPZPIMWHOCMQED-KRWDZBQOSA-N 334.379 2.561 0 50 EFAA COc1cccc2c(C(=O)N3CCC[C@H](OCC4CC4)C3)n[nH]c12 377449136 SHMMJFOAQHKHKY-ZDUSSCGKSA-N 329.400 2.603 0 50 EFAA COc1cnc2ccccc2c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 374817637 XDVSMYZCCFXWED-CQSZACIVSA-N 339.439 2.990 0 50 EFAA CCc1nnc(C)cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 329537772 VCPYJZFDZKCCNI-UHFFFAOYSA-N 327.432 3.446 0 50 EFAA CN1CCN(C(C)(C)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 42541273 GLOZSPUMRYPOEM-UHFFFAOYSA-N 347.547 2.735 0 50 EFAA Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C 176281415 IJJYOVOROGMEQO-LRDDRELGSA-N 345.447 2.602 0 50 EFAA COc1ccc(CN2CCc3sccc3C2)cc1Cn1cncn1 222542352 FIGPKERQGZJDEF-UHFFFAOYSA-N 340.452 2.955 0 50 EFAA Cc1cc(C)c(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)cc1C 426387061 INBJSGDWVPUHKF-OAQYLSRUSA-N 338.451 2.733 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)cc1Cl 426472990 UOLXKDFVXNFHKO-INIZCTEOSA-N 333.815 2.741 0 50 EFAA CCSCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222480021 MWKJXXCHFJYGRL-RWKZGTHUSA-N 330.453 2.916 0 50 EFAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2=O)cc1 82097524 OCYHVKHLYACUSU-HXUWFJFHSA-N 348.446 2.896 0 50 EFAA Cc1cc(C(=O)NCc2cnn3cccnc23)c2ccc(F)cc2n1 82099896 ZEAIXYKDYUZLBC-UHFFFAOYSA-N 335.342 2.655 0 50 EFAA O=C(C[C@H]1CCCN1)Nc1ccc2nc(N3CCCC3)sc2c1 178675961 ZHSMHWPXEJKZIR-GFCCVEGCSA-N 330.457 2.977 0 50 EFAA COc1nccnc1N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 95521374 ADUXNWBGVNOACW-UHFFFAOYSA-N 327.363 2.885 0 50 EFAA Cc1nc(C)c(CC(=O)N(Cc2cocn2)Cc2cocn2)s1 97425423 CGUSVQYXIJEYKL-UHFFFAOYSA-N 332.385 2.507 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)CCc1cn2ccccc2n1 97475134 XWZACDAEVHAWON-QGZVFWFLSA-N 338.411 2.508 0 50 EFAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC2(CC1)Nc1ccccc1NC2=O 91657042 HRAAZSSYXONMRC-QLFBSQMISA-N 337.423 2.624 0 50 EFAA COCCn1cncc1CN1Cc2cnc(-c3ccccc3)nc2C1 244873408 WPXUFSPLLZRQPR-UHFFFAOYSA-N 335.411 2.502 0 50 EFAA CN(Cc1nc2ccccc2s1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244787752 QDBLWFPCGPECIF-PHIMTYICSA-N 341.440 2.543 0 50 EFAA Cc1cc(C)n(CCC(=O)N2CCC([C@@H](O)c3cccs3)CC2)n1 244853037 VEDSNXGFSOVCIB-GOSISDBHSA-N 347.484 2.924 0 50 EFAA Cc1cc(Br)oc1C(=O)N[C@H](C(=O)O)c1ccccc1 342368854 MGHVMGPUKFIMME-NSHDSACASA-N 338.157 2.906 0 50 EFAA Cc1csc(NC(=O)[C@H](C)N2CCC(CCn3cccn3)CC2)n1 252488628 IVUWVXGQXRFVTG-AWEZNQCLSA-N 347.488 2.777 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)N1CCCC[C@H]1CO 534579688 SPJFXPDNSYXGFY-INIZCTEOSA-N 342.439 2.947 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1nnc2n1CCCC2 299771015 YEALSSNRVLURPT-AWEZNQCLSA-N 340.427 2.955 0 50 EFAA CC(=O)c1cc(CC(=O)NCCC(=O)Nc2cccc(C)c2)cs1 827855248 ISSSIXCXKCXRLH-UHFFFAOYSA-N 344.436 2.947 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCC1=NNC(=O)CC1 670434649 FTFLMBXRBHQJAS-OAHLLOKOSA-N 343.427 2.760 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cnccn2)C1 1413655723 COOTTWUKVBAGDP-BBRMVZONSA-N 329.375 2.789 0 50 EFAA c1ccc(CO[C@H]2CCOC[C@@H]2Nc2ncnc3ccsc23)nc1 1565505898 RDTJHORFORQPRM-GJZGRUSLSA-N 342.424 2.873 0 50 EFAA Cn1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 269786520 XGPHEKSQGLWGIZ-LSDHHAIUSA-N 325.334 2.747 0 50 EFAA CC[C@@H](NC(=O)c1nc(C(C)C)ncc1Cl)[C@@H](O)C(F)(F)F 270944492 YEHXUMRETHRSLU-PSASIEDQSA-N 339.745 2.685 0 50 EFAA COc1ccc2c(c1)C[C@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)CC2 275558391 NRLBCRJHYFYFBH-YZGWKJHDSA-N 341.455 2.796 0 50 EFAA CC[C@@](C)(NCc1ccc(Br)c2cccnc12)C(N)=O 170075321 KRDCGDOKOLCKNF-OAHLLOKOSA-N 336.233 2.741 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCO[C@H](c2ccco2)C1 170657286 ZWELJYJCJBDNLJ-AWEZNQCLSA-N 330.365 2.923 0 50 EFAA Cc1nc(Cl)c(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1C 170609009 DCWVLRIPDKLFJF-UHFFFAOYSA-N 344.173 2.945 0 50 EFAA CCc1ncc(CN(C)Cn2cnc3c(NC(C)C)ncnc32)s1 170623435 ZXLBGOHXRLMGAF-UHFFFAOYSA-N 345.476 2.755 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(c2ncnc3c(C)csc23)C1 189989526 FCUYLFIJWQOISV-GFCCVEGCSA-N 328.445 2.995 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H](C)c2ccccn2)n1 190416912 CVXWGBJGCIUAIE-CYBMUJFWSA-N 337.387 2.557 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc3c(c2)CCCC3)C1 644117770 OJEDNFNHFNQNSQ-SJORKVTESA-N 325.412 2.891 0 50 EFAA CN(C)c1noc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1 192764313 OKODHHNWOBJOON-UHFFFAOYSA-N 349.410 2.514 0 50 EFAA CC(C)c1nnc2n1C[C@H](N[C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 194145038 WMYGVPXICAFVFD-MUIFIZLQSA-N 330.476 2.654 0 50 EFAA CC(C)Cn1nccc1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653326764 KLKLNRUQIZFZGR-GJZGRUSLSA-N 327.384 2.582 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)c2ccccc21 669435164 WNFTUTUJLLWYEG-RHSMWYFYSA-N 341.338 2.734 0 50 EFAA CC1(C)CCN(C(=O)C[C@@H]2CCc3ccccc32)CCS1(=O)=O 683643250 HLMPPHDRGQWFRI-HNNXBMFYSA-N 335.469 2.532 0 50 EFAA CC(C)n1cc(NC(=O)CCCn2cnc3ccccc3c2=O)cn1 1506417811 LLOOLCDURSEIBS-UHFFFAOYSA-N 339.399 2.593 0 50 EFAA Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1506419735 JHKYUUWQXKRFLT-GFCCVEGCSA-N 343.383 2.606 0 50 EFAA CN(C)c1nc2c(c(N3CCC[C@H](Cn4ccnc4)C3)n1)CCCC2 1529152434 SZSNNAVCGPLQTF-OAHLLOKOSA-N 340.475 2.535 0 50 EFAA CSc1ccccc1C(=O)N1C[C@H](c2cccnc2)[C@@H](C(=O)O)C1 219330723 RTLBSLDAQNTLPL-CABCVRRESA-N 342.420 2.744 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCCN(Cc3cncs3)CC2)s1 1772804922 DZDSSVZMVLCDSM-UHFFFAOYSA-N 349.481 2.755 0 50 EFAA COc1cccc(CCc2nnc(CCC(=O)NCCC(C)C)o2)c1 12057956 HKSYHGWZKJHHOC-UHFFFAOYSA-N 345.443 2.958 0 50 EFAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NCCCN(C)C)c12 12217367 PSPKJCMXTGXIRW-UHFFFAOYSA-N 349.504 2.844 0 50 EFAA COc1ccc(NS(=O)(=O)Cc2ccccc2F)c(OC)c1 16579793 FMYLILHTYZOFEC-UHFFFAOYSA-N 325.361 2.785 0 50 EFAA C[C@@H](CN1CCC(CN2CCOCC2)CC1)n1cnc2ccccc21 19112625 HMMOMFKCWLQBTP-KRWDZBQOSA-N 342.487 2.642 0 50 EFAA CNc1ncccc1CN1CCC(Cn2cc(C(C)(C)C)nn2)CC1 19853335 ZJHZSANCRFHHJJ-UHFFFAOYSA-N 342.491 2.925 0 50 EFAA Cc1occc1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857716711 FAIGXCBSSHLYDA-JRBPQWBISA-N 344.455 2.740 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cccc3cnccc23)C[C@@H]1c1cccnc1 220268457 PEPYLEJYFDMPNK-MSOLQXFVSA-N 347.374 2.570 0 50 EFAA CCn1nncc1CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 417970679 QREICKPXJZHRMN-LLVKDONJSA-N 340.258 2.973 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2cnc(-c3ccccc3)cn2)CC1 813601755 BPQJRAHXCGCAFQ-GOSISDBHSA-N 335.411 2.817 0 50 EFAA O=C(O)CC[C@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 320369207 IQGLJKGYFNDJPM-OAHLLOKOSA-N 338.835 2.676 0 50 EFAA C[C@H](CN(C)C(=O)CC1CCC(C(F)(F)F)CC1)c1nnn[nH]1 124176426 HNEFWGOCMNQVMN-KPPDAEKUSA-N 333.358 2.520 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cn1 331294060 XXQKOXBBFCRMFW-HOCLYGCPSA-N 346.452 2.965 0 50 EFAA COc1cc(OC)cc(N(C)C(=O)c2ccc(NC(C)=O)cc2)c1 240321543 FAFJRVDTBVDJBR-UHFFFAOYSA-N 328.368 2.939 0 50 EFAA O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1CC12CCNCC2 136950098 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341.455 2.948 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1ccnc2c1nc(C)n2C 2100556910 VPCUNDICGVDJPM-GFCCVEGCSA-N 341.440 2.849 0 50 EFAA Cc1nc2ccc(N(C)C(=O)[C@@H](N)CCc3ccncc3)cc2s1 2325768543 UDZWBSMTKWRBJU-HNNXBMFYSA-N 340.452 2.923 0 50 EFAA Cn1ncc2c1CC(C)(C)CN(C(=O)C[C@H]1OCCCC1(C)C)C2 2325780922 XZHIMQPGRRTFSS-MRXNPFEDSA-N 333.476 2.926 0 50 EFAA Cc1cc(C(F)(F)F)cc(N2CCN(c3ccc(O)nc3)CC2)n1 2325802585 PAXMXWKGAFBJFT-UHFFFAOYSA-N 338.333 2.836 0 50 EFAA O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 100458 WLNUACLYCDXSIO-MRXNPFEDSA-N 328.799 2.804 0 50 EFAA Cc1sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1C 215490 JPMDTGNPGSJDDX-UHFFFAOYSA-N 341.436 2.733 0 50 EFAA COC(=O)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 316190 RQVWEAJUEVAEKJ-UHFFFAOYSA-N 332.352 2.719 0 50 EFAA CCCN1CCC[C@@]2(CCCN2Cc2nc3ccccc3[nH]2)C1=O 2356166303 RPGZETBVLZXZBQ-LJQANCHMSA-N 326.444 2.930 0 50 EFAA Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=O)CC(C)(C)C2 4756101 LVQXIQBPEUEEPX-UHFFFAOYSA-N 329.400 2.760 0 50 EFAA Cc1c(NCc2cccnc2)cccc1C(=O)N1CC[C@H](N(C)C)C1 55310135 OCTVIGDGGYPJEZ-KRWDZBQOSA-N 338.455 2.778 0 50 EFAA CS[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 225290446 FTFVUFCQZQGOES-HLFMIMNKSA-N 340.514 2.850 0 50 EFAA COc1ccc([C@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 20029757 GHLMWFWKXUXOEO-ZDUSSCGKSA-N 327.380 2.886 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)C1 113136418 ODQCULOJGXVZQM-OALUTQOASA-N 328.456 2.787 0 50 EFAA Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCCN(C)C)c12 9422328 YECCKAWJHZABHH-UHFFFAOYSA-N 338.459 2.855 0 50 EFAA O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(F)cc1 26832949 DJHJGOPRFVLBGB-UHFFFAOYSA-N 348.443 2.552 0 50 EFAA Cc1ccc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)n1-c1cccnc1 67770916 QNUXTUADILFSOX-UHFFFAOYSA-N 330.351 2.894 0 50 EFAA CC1CCN(C(=O)c2cccc(NC(=O)CCCC(=O)O)c2)CC1 20113086 NOLWEAVRXMMMFK-UHFFFAOYSA-N 332.400 2.752 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2ncoc2C)n1 216520327 HEOZRRTZJKKLTN-QMMMGPOBSA-N 330.310 2.573 0 50 EFAA Cc1cccc([C@H](C(=O)NCc2cn3cc(C)sc3n2)N(C)C)c1 65376121 WYDFPGGBFNXSOL-MRXNPFEDSA-N 342.468 2.932 0 50 EFAA CCCc1nc([C@H](NC(=O)N[C@H]2CCO[C@H]2C)c2ccccc2)no1 252512323 PHZYDOKVKAFACX-DUVNUKRYSA-N 344.415 2.588 0 50 EFAA C[C@H](CNC(=O)N[C@H]1C[C@H]1c1ccccc1F)CC1(C)OCCO1 252517595 MEUQGBZNWXQNRC-NOLJZWGESA-N 336.407 2.770 0 50 EFAA C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 435585566 SZCHHZJMJXPSOG-BYCMXARLSA-N 328.865 2.905 0 50 EFAA Cc1cc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c2ccccc2n1 253394810 ASZPSNLZEJVHDV-RLLQIKCJSA-N 326.440 2.905 0 50 EFAA COc1cccc(SCC(=O)N2CCN(c3ccncc3)CC2)c1 72272914 GMEGBHPBILWAGN-UHFFFAOYSA-N 343.452 2.531 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)CCNC(=O)c3ccccc3F)C[C@@H]2C1 71708142 GWBDGCJEIRJFTH-CABCVRRESA-N 330.403 2.760 0 50 EFAA CC(=O)N1CCN([C@@H]2CN([C@H]3CCCc4ccccc43)C[C@@H]2C)CC1 257366120 KAHUIWPUGPLRLY-ORYQWCPZSA-N 341.499 2.548 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1OC(F)F 365563664 UCVKKQYIFLEGNJ-INIZCTEOSA-N 346.377 2.961 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CCO2)o1 328610549 IJYILJUVYGRPGJ-FPCVCCKLSA-N 333.432 2.884 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 152904581 DOXTWNSMSJCSKD-MRRJBJDNSA-N 342.345 2.512 0 50 EFAA CC(C)c1cc(N[C@@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1 72170406 UWVMCHJKYGJPPM-CQSZACIVSA-N 327.432 2.666 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(c2cccc(C(F)(F)F)n2)C1 71440399 PDDIKXWBPKHGSM-AWEZNQCLSA-N 332.322 2.808 0 50 EFAA CNC(=O)C1(NC(=O)c2ccc([C@@H]3CCCO3)s2)CCCCC1 215026359 VDVLRDIHISZOKO-LBPRGKRZSA-N 336.457 2.778 0 50 EFAA CCc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)n[nH]1 363348454 HFXYSZCHOKHQFR-HNNXBMFYSA-N 326.444 2.709 0 50 EFAA c1csc(CN(Cc2noc(C3CC3)n2)[C@H]2CC23CCNCC3)n1 261667950 OUSWTUKSMLMRCB-ZDUSSCGKSA-N 345.472 2.548 0 50 EFAA Cn1cc(CN2CC[C@H](O)c3ccccc3C2)c(-c2cccnc2)n1 368816836 LFRMWPWRBITFAY-IBGZPJMESA-N 334.423 2.921 0 50 EFAA CC(=O)Nc1ccsc1C(=O)N1CC[C@@H](n2nc(C)cc2C)C1 71752203 CAKZFDRDXDLYPC-CYBMUJFWSA-N 332.429 2.607 0 50 EFAA O=C(Cc1cc[nH]n1)N1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1 369757323 LAUBPXZHNJILII-INIZCTEOSA-N 339.374 2.845 0 50 EFAA Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2Cl)nc1C 72117711 NHJPESDOQOVJCW-UHFFFAOYSA-N 326.183 2.806 0 50 EFAA CC(C)(C)C1=CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 371144989 KERPIKBSXKARGH-RYUDHWBXSA-N 332.366 2.648 0 50 EFAA COc1cccc([C@H]2CCCCN2CC(=O)Nc2cnn(C)c2)c1 72127241 PZHBLMUGYWIJFZ-QGZVFWFLSA-N 328.416 2.594 0 50 EFAA COc1ccc2c(=NC(=O)[C@@H](C)OCc3ccccc3)[nH][nH]c2c1 447256784 LXLBNGWDCFAYFE-GFCCVEGCSA-N 325.368 2.537 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)COC2CCCCC2)c1 337504377 GNULAKRYZVMDPB-QAPCUYQASA-N 333.428 2.679 0 50 EFAA Cc1ccccc1CCNC(=O)CN(CC1CCC1)C(C)(C)CO 241367973 MIWIIORVOHTBSH-UHFFFAOYSA-N 332.488 2.527 0 50 EFAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 378388387 NHJSUPIUSBIAHQ-IKGGRYGDSA-N 336.863 2.849 0 50 EFAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 77321172 OTIPUKGSTHPXKT-CYBMUJFWSA-N 344.798 2.763 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 238062914 DAFKRJKQXXHAEH-MRXNPFEDSA-N 345.420 2.979 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CCO1 238057911 VQOSAIUJWAJVGH-ZDUSSCGKSA-N 331.393 2.731 0 50 EFAA CNC(=O)N[C@@H]1CCN(c2nccc3cc(C(F)(F)F)ccc23)C1 450447790 XVWZFQSHVCLUHG-GFCCVEGCSA-N 338.333 2.761 0 50 EFAA CC[C@@H](CO)N(Cc1ccc(C)s1)C(=O)CCc1cnn(C)c1 216065753 NAISBJFDPNAKRR-HNNXBMFYSA-N 335.473 2.522 0 50 EFAA COc1ccc(CNC(=S)NC[C@@H](C)N2CCCC[C@H]2C)cc1 245285629 YANUBGBGZZCCFQ-HUUCEWRRSA-N 335.517 2.922 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc[nH]2)C1 220528058 DOEPUPTVJYRKBY-LBPRGKRZSA-N 338.333 2.772 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 263336965 NUNGTNDNTAIWSB-KRWDZBQOSA-N 325.364 2.527 0 50 EFAA CN(C)c1nc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3N2)cs1 222360472 APDYIEGWNCKZBD-ZDUSSCGKSA-N 336.848 2.516 0 50 EFAA NC(=O)C1(NC(=O)[C@]2(c3ccccc3)CC23CCCC3)CCCC1 426518009 YFQDWSMBJCJLTN-HXUWFJFHSA-N 326.440 2.803 0 50 EFAA Cc1c(CCNC(=O)N2CCC[C@@H](O)C2)c2cccc3c2n1CCC3 426584846 RMMCBCAVESFDLA-MRXNPFEDSA-N 341.455 2.605 0 50 EFAA CCc1cc(CN(C)C(=O)NCc2cn3cccc(C)c3n2)on1 426707384 IWKHSLRBDQMKDC-UHFFFAOYSA-N 327.388 2.535 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)NCCc2ccccc2)C1 91663077 AUEAYMDHECCKMB-IBGZPJMESA-N 348.443 2.532 0 50 EFAA COc1cccc(-n2cc(CNc3ncc(C(C)=O)c(C)n3)cn2)c1 91914674 RUHCLJBUXQOYFL-UHFFFAOYSA-N 337.383 2.794 0 50 EFAA Cn1ccnc1C1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 97637927 MIFCHQLGHCASOW-UHFFFAOYSA-N 342.443 2.629 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1onc3c1CCCC3)C2 426580674 GMOHSTLWCAFONZ-GFCCVEGCSA-N 342.395 2.543 0 50 EFAA O=C(Cn1ncc2ccccc2c1=O)N1CC[C@@H]1c1ccc(F)cc1 95519238 DTFCDOGVGHHROI-QGZVFWFLSA-N 337.354 2.509 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 238063846 ONGMVRKTAMCPQI-LBPRGKRZSA-N 331.290 2.593 0 50 EFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)Cn4nccc4C)C3)nc12 91255760 QDHOQJVLXQEFBO-HNNXBMFYSA-N 337.427 2.782 0 50 EFAA COc1cccc2c1OC[C@H](Cc1ncccc1C(=O)N(C)C)C2 95382830 PXSTZWHKEDXJKF-ZDUSSCGKSA-N 326.396 2.586 0 50 EFAA Cc1ccc2nc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)sc2c1 239173798 ORWAIBLRBPYKIS-JINSMIQGSA-N 328.393 2.741 0 50 EFAA Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nn1 95509627 ZCUWRIGCMNFOEQ-QGZVFWFLSA-N 334.427 2.809 0 50 EFAA CCn1cc([C@@H]2CN(C(=O)c3ccc(C4CC4)nc3C)CCO2)cn1 295704138 MTDBPQRCDZJAOW-SFHVURJKSA-N 340.427 2.698 0 50 EFAA C[C@H](CCC(=O)N(C)Cc1cccc2cnccc12)N1CCOCC1 244574760 CQWKPJSQAZWDPL-MRXNPFEDSA-N 341.455 2.694 0 50 EFAA Cc1nn(CC(=O)N[C@@H]2COC3(CCCCC3)C2)c(C)c1Cl 244894027 YYRWGHGQAAWVLC-ZDUSSCGKSA-N 325.840 2.761 0 50 EFAA CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)s2)CCO1 182479235 OAARATPJHHEIAV-HNNXBMFYSA-N 334.416 2.501 0 50 EFAA O=C(C[C@@H]1CCCN1C(=O)c1ccc(O)cc1O)c1ccccc1 182584233 KVLFELDJXGZATJ-AWEZNQCLSA-N 325.364 2.975 0 50 EFAA Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@H](O)c1ccccc1 183292065 CPNGSAISNBKMKY-RTWAWAEBSA-N 340.467 2.692 0 50 EFAA O=C(CCOc1ccccc1)N1CCCN(CC(F)(F)F)CC1 298420171 AXRHYZLEJXJNHR-UHFFFAOYSA-N 330.350 2.552 0 50 EFAA COc1cccc(OCCN2CCC(Cc3noc(C)n3)CC2)c1 252483228 DXRQSFLTCZRJQV-UHFFFAOYSA-N 331.416 2.720 0 50 EFAA CCN(CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(C)s1 299767379 REVBLLFSXYFCSP-UHFFFAOYSA-N 331.445 2.796 0 50 EFAA COc1ccc2[nH]c(CN3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)c(C)c2c1 299768692 PUXIGZGAXQBNGG-VOBQZIQPSA-N 344.455 2.989 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)N[C@H]1CCCOCC1 273671163 HRJHCNJUHSKFLN-MUYFXNHWSA-N 332.444 2.685 0 50 EFAA COC(=O)c1cccc(I)c1Br 169796056 JPSAQWAATAFSOK-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1C[C@@H](O)Cc2ccccc21 278828409 IDMFSBDJDIRZDL-BBRMVZONSA-N 331.437 2.575 0 50 EFAA COc1cc(CN2CCCN(c3ccc(C)nn3)CC2)ccc1C 193893212 MFNRGWABBRIQKS-UHFFFAOYSA-N 326.444 2.814 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3)C2)CCO1 195556374 FYBWMCVRSYFLOX-IPMKNSEASA-N 330.472 2.972 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCc2ncccc2OC)cn1 657484970 TWFDIRCATMNJPZ-KBXCAEBGSA-N 330.432 2.564 0 50 EFAA Cn1ncc(C2CC2)c1C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 659138767 MOEYKSTVHHNOIP-UHFFFAOYSA-N 349.774 2.667 0 50 EFAA Cn1cc(-c2cccc(C(=O)NC[C@H](C(=O)O)c3ccccc3)c2)cn1 738403821 OQGNBKQMMRUVRY-SFHVURJKSA-N 349.390 2.685 0 50 EFAA COCCc1nc(CNC2CCN(c3cccc(C)c3C)CC2)no1 1506397959 ZRKDDLJHALQIRZ-UHFFFAOYSA-N 344.459 2.634 0 50 EFAA CC(C)Sc1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)s1 1506420627 IXXUSPVSWTXXSI-NSHDSACASA-N 348.453 2.852 0 50 EFAA CC[C@@H](C)Oc1c(CN(CCO)Cc2cncn2C)cccc1OC 1704311146 ZWUJVUFHXWCNBT-OAHLLOKOSA-N 347.459 2.601 0 50 EFAA O=C(CCOc1ccccc1)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 210397618 IPVMVCGUHJQVRN-MOPGFXCFSA-N 343.398 2.972 0 50 EFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1F)C2 1704336190 VAVCXVZVHBXRRQ-CVEARBPZSA-N 327.421 2.796 0 50 EFAA Cc1nonc1CNC(=O)[C@@H](Cc1ccc(O)cc1)c1ccccc1 1772704373 FSMQVMJKDYOTDW-KRWDZBQOSA-N 337.379 2.726 0 50 EFAA CN(C)CC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 11771121 HQRYFBXSWLOYNU-HXUWFJFHSA-N 335.536 2.833 0 50 EFAA Cc1sc2ncc(C(=O)NCCC3=CCCCC3)c(=O)n2c1C 16626164 XPPVFUNJRQPDKY-UHFFFAOYSA-N 331.441 2.993 0 50 EFAA Cc1ccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c(C)c1 16890151 CYAROWNNPORMME-LLVKDONJSA-N 333.331 2.509 0 50 EFAA COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(Cc4cccnc4)C3)n2)cc1 19146928 MRUGGAJTDBYXAH-INIZCTEOSA-N 348.406 2.996 0 50 EFAA CCCOc1ccc2nc(C)c(CN3CCN(C)CC3)c(O)c2c1 19793230 VYFCRDGGMDNWPI-UHFFFAOYSA-N 329.444 2.785 0 50 EFAA Cc1nc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)sc1C 19939216 IAAODWLSWRKHAS-ZDUSSCGKSA-N 335.473 2.557 0 50 EFAA CCOc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1[C@H]1C[C@H]12 169618372 XEYUSPFUMMEJHA-XCKJKVLWSA-N 327.380 2.793 0 50 EFAA Cc1nc2n(n1)C[C@@H](Nc1ncc(Cl)cc1Br)CC2 225593238 XITIXUKFQOGFOB-VIFPVBQESA-N 342.628 2.824 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C(=O)O)C1 237540983 ICKJVOXEATYAJL-ZYHUDNBSSA-N 329.318 2.817 0 50 EFAA CCCN(CC)Cc1ccc(C(=O)N2CCC[C@H]3CNC[C@H]32)cc1 449735980 TYKFVEFDKGVNGR-RBUKOAKNSA-N 329.488 2.743 0 50 EFAA Cc1noc([C@H]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 344871964 KYNXAPRNJUQQMD-ZDUSSCGKSA-N 327.363 2.897 0 50 EFAA Cc1ccc(OC(F)F)c(CNC(=O)c2cnn3cccnc23)c1 362556721 CJAWAHPALLWWOO-UHFFFAOYSA-N 332.310 2.569 0 50 EFAA CC(C)c1nc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)cs1 262955497 HPCZCTUOMIJOTL-CQSZACIVSA-N 346.408 2.757 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cccn2C2CC2)C3)o1 952886407 MSEXSWPJZQQAGI-DJJJIMSYSA-N 340.427 2.962 0 50 EFAA CCc1nn(C[C@H]2CCCS(=O)(=O)C2)c(CC)c1Br 1875275601 BJLSIQBFSKSFSP-SNVBAGLBSA-N 349.294 2.595 0 50 EFAA Cc1cccc(-c2nc(Cc3cncs3)n(CCN(C)C)n2)c1 1875330877 GTEOKOQRLFOZSJ-UHFFFAOYSA-N 327.457 2.862 0 50 EFAA CC(C)c1ccc(CNC(=O)N2CCC[C@]3(CCNC3=O)C2)cc1 1875307163 VLPSQWNUUXEQAC-IBGZPJMESA-N 329.444 2.622 0 50 EFAA CO[C@H]1C(C)(C)CN(C(=O)c2cccc(-n3ccnc3O)c2)C1(C)C 1875404304 DGPANDMKBSFTQC-INIZCTEOSA-N 343.427 2.854 0 50 EFAA Cc1cccc(OCCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1C 1775961099 PSOAQTLFDADZNO-AWEZNQCLSA-N 328.416 2.511 0 50 EFAA COCCC1(CNS(=O)(=O)C[C@H]2C[C@H]2Cc2ccccc2)CC1 1775989444 AVJUBEONTRWMQX-IAGOWNOFSA-N 337.485 2.601 0 50 EFAA O=C(Cn1c(C2CC2)nc2ccccc21)N=c1[nH]oc2ncccc12 2100548102 ULQFLQFHCUVHJG-UHFFFAOYSA-N 333.351 2.511 0 50 EFAA CC(C)c1noc([C@H]2CCCN(Cc3ccn4ncnc4c3)C2)n1 2100557441 SONCAKCNSZCRRC-AWEZNQCLSA-N 326.404 2.615 0 50 EFAA COc1cc(CN2CCC([C@@H](OC)C(=O)O)CC2)c(F)cc1Cl 2325788336 ZAKOKTWVHSOFSC-OAHLLOKOSA-N 345.798 2.799 0 50 EFAA NCc1ocnc1C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 2325796201 ZYDBYHOINYCTAN-LBPRGKRZSA-N 337.832 2.794 0 50 EFAA Cn1nnc2c1CC[C@H](NCc1cccc(Oc3ccccn3)c1)C2 922226967 RYNKESJIDPXCIW-HNNXBMFYSA-N 335.411 2.650 0 50 EFAA COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 117016 VCYSUBMQCHARPH-UHFFFAOYSA-N 326.396 2.666 0 50 EFAA O=c1c2c(nc3n1C[C@@H](O)CS3)-c1ccccc1CC21CCCC1 242597 YTNJEMYCYKTNFQ-CYBMUJFWSA-N 340.448 2.745 0 50 EFAA COC(=O)c1c(NC(=S)NCc2ccccn2)sc2c1CCC2 611852 CORVVGHWWSGABV-UHFFFAOYSA-N 347.465 2.905 0 50 EFAA CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)OC)cc1)C(F)(F)F 2900764 LUHMCGKJMJCURM-CQSZACIVSA-N 349.305 2.592 0 50 EFAA Cc1cnnc(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)c1C 2356150371 YUTVIQCGRLPIBM-QGZVFWFLSA-N 325.412 2.747 0 50 EFAA COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 6729200 CWXTZMCNIQJGPQ-UHFFFAOYSA-N 339.388 2.809 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7398714 MZEFIQNXORTDQP-CYBMUJFWSA-N 330.334 2.634 0 50 EFAA Cc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 55562002 ZFHFDLWCYZLOQK-UHFFFAOYSA-N 327.403 2.895 0 50 EFAA CN(C)[C@H](CN1C(=O)CN(Cc2ccccc2)C1=O)c1cccs1 225450856 XXZWCVGLIFPNSN-OAHLLOKOSA-N 343.452 2.815 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 248197813 ROOVCXWTPMEDDP-QIIPPGSGSA-N 332.469 2.578 0 50 EFAA CC[C@H]1CN(c2cc(OC)ncn2)CCC(=O)N1Cc1ccccc1 71775784 IHTIUYIMBPGMNC-INIZCTEOSA-N 340.427 2.503 0 50 EFAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C1(c2ccc(Cl)cc2)CCC1 67587791 FPSBZQRLTKPRAJ-CVEARBPZSA-N 346.858 2.983 0 50 EFAA O=C1Nc2ccc(Br)cc2C(c2ccccc2F)=N[C@@H]1O 39401549 LAAYFWALJDHMAB-OAHLLOKOSA-N 349.159 2.696 0 50 EFAA in-vitro CCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)n[nH]c1=S 23633898 OMUYKQPESOTJLN-UHFFFAOYSA-N 337.880 2.936 0 50 EFAA CCn1ncc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c1C 20600846 RUPPHAWLJWGPBA-FQEVSTJZSA-N 348.535 2.660 0 50 EFAA Cc1cccn2c(CC(=O)N3Cc4cnc(C(C)(C)C)nc4C3)cnc12 67650672 DZIGDUYMWUEDCJ-UHFFFAOYSA-N 349.438 2.815 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@]2(CCCNC2)C1 67674280 QKSBRMMRTHDANZ-HXUWFJFHSA-N 336.439 2.668 0 50 EFAA COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Cl 168234 HGSUELJOTQHWLL-UHFFFAOYSA-N 332.665 2.691 0 50 EFAA CCN(C)c1ccnc(N2CCN(Cc3cc(F)ccc3F)CC2)n1 67850638 XSDOOZOXEBOHAX-UHFFFAOYSA-N 347.413 2.533 0 50 EFAA Cc1cccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1F 121337666 FJHJSYGXXDBUAM-UHFFFAOYSA-N 329.375 2.887 0 50 EFAA COCCN1CCN(C[C@@H](O)c2ccc(CC(C)C)cc2)C[C@@H]1C 229384158 BJNTWMZTLZORGK-FXAWDEMLSA-N 334.504 2.571 0 50 EFAA CC[C@H]1CN([C@H](CC)C(=O)NCCOC2CCCCCC2)CCO1 252507769 WTPYTJMIHCGRQE-FUHWJXTLSA-N 340.508 2.731 0 50 EFAA O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1noc2c1CCCC2 2808763 BLHCTKYDWYTIRT-UHFFFAOYSA-N 341.346 2.585 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2nccs2)cc1N(C)C 119761801 DQYIYUKUPUCWFB-NSHDSACASA-N 325.459 2.557 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCc2ccccc2O1 219418599 IHVNBUZSDXEUGZ-QGZVFWFLSA-N 326.396 2.717 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H]2CC[C@H]2NC2CCCCC2)n(C)n1 72433289 NMRVDNRBWYSDOK-SJORKVTESA-N 332.492 2.802 0 50 EFAA CCc1cc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)on1 72120735 LYFAPXDXPDQZPW-UHFFFAOYSA-N 338.411 2.521 0 50 EFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1nccs1 35828067 HCPYLYDGDDKUGO-UHFFFAOYSA-N 336.848 2.557 0 50 EFAA O=C(COc1ccc(C(F)(F)F)cc1)N1CC[C@]2(CCOC2)C1 153528749 WPGWIKGWVXQSHZ-HNNXBMFYSA-N 329.318 2.723 0 50 EFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc2nccnc2cc1F 253421209 RYGJIGJQVXUCOU-INIZCTEOSA-N 339.326 2.837 0 50 EFAA O=C(NC[C@@H]1CCSC1)N1CCC[C@H](Oc2ncccc2F)C1 253426227 GCPSAMWWEKPESO-STQMWFEESA-N 339.436 2.527 0 50 EFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1coc(-c2ccccc2)n1 362254876 WPTOKRFLVHDWAM-QGZVFWFLSA-N 347.374 2.659 0 50 EFAA CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCNC1=O 78394905 ZYFOATVAEMAPLV-JTQLQIEISA-N 345.321 2.504 0 50 EFAA C[C@H]1N(C(=O)c2cccc(-c3nc[nH]n3)c2)CCC12CCOCC2 368214169 XSQIVKFGCDVNTR-CYBMUJFWSA-N 326.400 2.503 0 50 EFAA COCC1(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)CCC1 377100388 PUGMFQVCFKEXPB-ZDUSSCGKSA-N 332.448 2.656 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(-c2ccc(C)o2)s1 156613745 QZYNHCCYVOOXIP-CYBMUJFWSA-N 347.396 2.903 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1OCc1ccccc1 219055112 UTUFCVGHSLVNIO-IEBWSBKVSA-N 341.407 2.799 0 50 EFAA O=C(Nc1ccnn1Cc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 158091528 RLKDUUHSAJSISI-KFWWJZLASA-N 330.363 2.512 0 50 EFAA CC[C@@H]1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CCN1C(C)C 77517915 MRAFFZOQIZLYEE-OAHLLOKOSA-N 346.450 2.966 0 50 EFAA C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc2c(c1)CCCC2 241371423 MNMMTQFHYXINNX-QWQRMKEZSA-N 337.485 2.735 0 50 EFAA FC(F)(F)c1nc(CN[C@H]2CCc3nc[nH]c3C2)c2n1CCCC2 1364642062 PCPVLSYKZUVCPG-JTQLQIEISA-N 339.365 2.608 0 50 EFAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1cnc(C2OCCO2)s1 241401096 NBDVGDLXNAZJQG-AEGPPILISA-N 342.420 2.647 0 50 EFAA O=C(c1cccc2nccnc12)N1CCC[C@H](OCc2cccnc2)C1 82120110 RMAZLMDZRNPETC-INIZCTEOSA-N 348.406 2.846 0 50 EFAA COc1cccc([C@@H]2CCN(C(=O)CN3CCCCC3)C2)c1OC 220150152 XTXBULHZJZAOAI-OAHLLOKOSA-N 332.444 2.506 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@@H]1COCCN1 82092595 ULHJFTHTHIGHHP-QGZVFWFLSA-N 340.423 2.816 0 50 EFAA Cc1csc(=O)n1CCc1nc(-c2ccc(N(C)C)cc2)no1 225556092 MODWGXCJPCPFPV-UHFFFAOYSA-N 330.413 2.577 0 50 EFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCn4cccn4)C3)nc12 82092709 WDXZUTUAWSKCJJ-OAHLLOKOSA-N 337.427 2.864 0 50 EFAA CCc1nc(CCNC(=O)c2ccc(-c3ccncc3C)cc2)no1 426641506 XTWLWCDENVYJQQ-UHFFFAOYSA-N 336.395 2.975 0 50 EFAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCOC[C@H](O)C1 95518149 MBLOLNSYFCBNCB-SECBINFHSA-N 338.713 2.584 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSc1ccc(Cl)cc1)C2 95366520 VVEFDOWPWYCIGM-WCQYABFASA-N 338.860 2.511 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCc2c(F)cccc21 184533684 IRWJPENTFOXMAD-LLVKDONJSA-N 330.407 2.879 0 50 EFAA Cc1sc(-n2cccc2)nc1C(=O)N[C@@H](CO)c1ccccc1 252533121 FWUREPRSMCUNDS-AWEZNQCLSA-N 327.409 2.706 0 50 EFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 253414322 XCMVOKYTEBVISI-RBUKOAKNSA-N 342.483 2.887 0 50 EFAA biogenic COc1ccc(CC(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)cc1 299754414 KQAXLJWXKSXUCN-MJGOQNOKSA-N 330.472 2.961 0 50 EFAA biogenic CCC(=O)N1CCC(C(=O)N[C@H](C)COc2c(C)cccc2C)CC1 822529332 DRAKYGMRBJOKOM-MRXNPFEDSA-N 346.471 2.836 0 50 EFAA CC(=O)Nc1ccc2nc(CN(C)CCCn3cccn3)ccc2c1 823709273 SKTARYCZEQOJRX-UHFFFAOYSA-N 337.427 2.912 0 50 EFAA O=C(NCCSc1nc[nH]n1)[C@H]1CCCc2c1[nH]c1ccccc21 827754676 FUTHXVCUOWZTQD-ZDUSSCGKSA-N 341.440 2.614 0 50 EFAA O=C(NCCCn1ccnn1)c1ccc(-c2ccc3c(c2)OCC3)cc1 584889886 YLJCEEPRTCZUED-UHFFFAOYSA-N 348.406 2.700 0 50 EFAA Cc1cncc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1 1434550502 GINNKOGHBCPNPP-CQSZACIVSA-N 337.470 2.853 0 50 EFAA N[C@@H](CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 952865796 XMYXICJWPYGFPR-SFHVURJKSA-N 337.423 2.536 0 50 EFAA CCCOc1ccccc1C(=O)Nc1c(CCC)nn(C)c1C(N)=O 71974172 OYHROMDBMGIQCJ-UHFFFAOYSA-N 344.415 2.513 0 50 EFAA in-vitro Cc1ccnc(-c2ccc(NC(=O)N[C@H]3CCc4[nH]ncc4C3)cc2)n1 163203190 HKPZDQMBGOBUCF-INIZCTEOSA-N 348.410 2.854 0 50 EFAA c1nc(NCc2ccc3c(c2)OCCCO3)cc(N2CCCC2)n1 277665190 ZLKKPFOSMJZQQI-UHFFFAOYSA-N 326.400 2.850 0 50 EFAA Cc1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1O 170071524 RFBZQKXKFDXDKV-UHFFFAOYSA-N 334.379 2.615 0 50 EFAA C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CN1C1CC1 170026724 FJYHLMJVBBDHDX-GXTWGEPZSA-N 330.476 2.871 0 50 EFAA Cc1ocnc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278339665 FPNUBKCMEFYDTL-VIFPVBQESA-N 328.294 2.745 0 50 EFAA Cn1cc(N2CCC[C@H](Sc3nncc4ccccc34)C2=O)cn1 170595998 NNNQZJTYXBMDQO-HNNXBMFYSA-N 339.424 2.651 0 50 EFAA Cn1nnc2cc(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cnc21 280215917 YBSZHYBKQPPQNH-YEORSEQZSA-N 341.802 2.693 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@@H]3CCCc4c(O)cccc43)CC2)n1 190169362 YOADJBZELNKETG-MRXNPFEDSA-N 341.411 2.910 0 50 EFAA CN(C(=O)c1csnn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190437009 IVMCJQAISOWIRI-VXGBXAGGSA-N 344.223 2.575 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)c2cccc3cc[nH]c23)(C(=O)O)C1(C)C 193039027 KRNBJDDUMKSYKF-ACJLOTCBSA-N 330.384 2.556 0 50 EFAA C[C@@H](Cn1cncn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 657977973 FDDBIHOXQCQXPC-STQMWFEESA-N 339.365 2.554 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(CN)C2)c(C)n1Cc1ccncc1 662813903 DNBYTNNPTIMSHW-JLTOFOAXSA-N 340.471 2.605 0 50 EFAA C[C@H]1CC[C@@H](NC(=O)N[C@H](C)c2cccc(Cl)c2)CS1(=O)=O 664744695 KKCLGUVNBLOZSP-MISXGVKJSA-N 344.864 2.666 0 50 EFAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C(=O)O)CC1 1875275122 AWNMWBMRHYDFTM-INIZCTEOSA-N 344.455 2.658 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)CC2CCNCC2)cc1 1529182635 XCBNYOCQTCXLEX-UHFFFAOYSA-N 342.443 2.732 0 50 EFAA O=C(CN1CCC([C@@H](O)c2cccs2)CC1)N1CCCCCC1 1529110783 OUHKGLZGLGGYSF-GOSISDBHSA-N 336.501 2.896 0 50 EFAA CN1CCOC2(CCN(Cc3ccc(Cl)s3)CC2)CC1=O 1857690941 VYYIOTRFLUPPHX-UHFFFAOYSA-N 328.865 2.615 0 50 EFAA Cc1nc(N2CCC(O)(c3cccnc3)CC2)c2ccsc2n1 1704311974 IDFBMCCFTPIABQ-UHFFFAOYSA-N 326.425 2.883 0 50 EFAA Cc1ccc(NC(C)C)c(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 1772710981 XQCOAWPSGIBWMN-GJZGRUSLSA-N 329.444 2.651 0 50 EFAA C[C@@H](Cn1nnc2ccccc21)C(=O)[C@@H](C)Cn1nnc2ccccc21 5368264 LJGIAHHKJLOVJR-KBPBESRZSA-N 348.410 2.718 0 50 EFAA O=C(CCc1cnccn1)N1CCO[C@H](Cc2ccccc2Cl)C1 12091967 QIJXFXQQGPQFBV-MRXNPFEDSA-N 345.830 2.533 0 50 EFAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccco2)CC1 12380427 WSYJLHONITZYFL-AWEZNQCLSA-N 332.375 2.530 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C)c2)cc1 13647494 OSVZFAITGKQVMQ-UHFFFAOYSA-N 332.425 2.687 0 50 EFAA CN(CCn1cnc2ccccc21)Cc1nnc(-c2cccnc2)o1 1857688705 XPDIRPZFQGNDHP-UHFFFAOYSA-N 334.383 2.613 0 50 EFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3ncc[nH]3)C1)CC2 1857733186 YVIHLOYRYZARGC-LJQANCHMSA-N 341.459 2.683 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2cc3ccccc3o2)CC[C@H]1O 1875243730 USMXXZKWUALMFX-IEBWSBKVSA-N 329.396 2.871 0 50 EFAA COc1cc(C=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 159143 HVTQNCJLDBFXOU-UHFFFAOYSA-N 346.335 2.753 0 50 EFAA in-vitro CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c(C)nn(C)c1C 227362670 VECLUEIDBOJFEP-QXSJWSMHSA-N 334.464 2.745 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)nn1C 421573655 JGGIJGFYLOVEFC-RTHLEPHNSA-N 339.848 2.876 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCN(c2ccc(Cl)cc2)CC1 122470188 HXIHCGJGPGWREO-UHFFFAOYSA-N 330.819 2.514 0 50 EFAA CCN(C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2C)C1 123171998 KNOKCHXDNAAAPD-MRXNPFEDSA-N 345.491 2.796 0 50 EFAA C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 239352735 ADGOPJMQNCNXNR-OMXXWXSESA-N 347.484 2.685 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(c2cc(NCC3CC3)ncn2)C1 340080653 SBNGURXBALKJIT-BBRMVZONSA-N 346.381 2.889 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2C[C@H](C)N[C@H](C)C2)cc1OC 153352061 YDICVFSHEMMOCU-PHIMTYICSA-N 326.824 2.570 0 50 EFAA Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cn1 161844730 PTGIWLGPTPTNOP-CQSZACIVSA-N 344.802 2.970 0 50 EFAA CC(C)n1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)n1 264934990 XBWGZJYSEIKIAU-CYBMUJFWSA-N 332.473 2.702 0 50 EFAA O=C(N[C@@H](CO)C1CCC1)c1cc(Br)cnc1C1CC1 824752384 GDUUWPPEWRBUTO-ZDUSSCGKSA-N 339.233 2.612 0 50 EFAA CCn1ccnc1C(=O)NCc1cc(Br)cc(OC)c1 830421742 HQQKZHDHQMLOMO-UHFFFAOYSA-N 338.205 2.604 0 50 EFAA Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)F)n1 930259346 LQAXLVDSEOFOKH-GDBMZVCRSA-N 332.350 2.891 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1CCn2c(cnc2C(F)(F)F)C1 834323062 LXPLPIZFZGTTAG-QMMMGPOBSA-N 342.321 2.653 0 50 EFAA O=C(Nc1cccnc1)N[C@@H](c1ccccc1)C1(CO)CCOCC1 874435438 SKJOLVKHLUGVEB-KRWDZBQOSA-N 341.411 2.734 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCC12CCC(CO)CC2 1875279475 LLIIAXMASOHMPN-UHFFFAOYSA-N 343.876 2.797 0 50 EFAA C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCCC3(CC3)C2)C[C@@H](C)O1 1875319965 AILUMWQBXMSMER-ZACQAIPSSA-N 337.508 2.755 0 50 EFAA O=C(NCCc1cnc(O)nc1)c1cccc2cc(Cl)ccc12 1875335191 WACRSWZQJZPICZ-UHFFFAOYSA-N 327.771 2.961 0 50 EFAA O=C(N1CCCC[C@@H](Cn2cc(C3CC3)nn2)C1)C1(C2CC2)CC1 1875323729 QPDALLAZHLRKBJ-CQSZACIVSA-N 328.460 2.974 0 50 EFAA Cn1ccc2cccc(C(=O)N[C@@H]3CN(c4ncccn4)CC3(C)C)c21 1875330475 YSPFPWUYLUFZOV-MRXNPFEDSA-N 349.438 2.613 0 50 EFAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1ccc(F)o1 1875401842 UJNYRJIEXFKDKA-FZMZJTMJSA-N 348.378 2.910 0 50 EFAA COc1cc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc(Cl)n1 879880456 YLXCCHFJCVRKAP-LLVKDONJSA-N 349.822 2.574 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 886068606 WXAJKDNGPWBDMO-CHWSQXEVSA-N 347.381 2.849 0 50 EFAA Brc1cncc([C@H]2CCCN2c2ncnc3[nH]cnc23)c1 895706444 GPCQHTTZGNKAGP-LLVKDONJSA-N 345.204 2.852 0 50 EFAA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2ccc3ccccc3n2)C1 1775957383 RIWGUOPPBQGSPK-AEFFLSMTSA-N 349.438 2.735 0 50 EFAA NCCOc1ccc(Cl)cc1C(=O)N1CCc2ccccc2CC1 2100556370 LBYOBDQWEADSKU-UHFFFAOYSA-N 344.842 2.919 0 50 EFAA Cn1ncc2c1CCC[C@H]2NC(=O)c1nnc(-c2ccccc2)s1 2325804680 FFGQPHLJVPKHSC-CYBMUJFWSA-N 339.424 2.746 0 50 EFAA COC[C@@H]1CC[C@H](C(=O)N2CC(c3nc4ccccc4n3C)C2)C1 2325805791 ZIRDEUIOMCCHOJ-KGLIPLIRSA-N 327.428 2.562 0 50 EFAA COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 67895 GKJWBNOVDSTCGG-UHFFFAOYSA-N 334.397 2.763 0 50 EFAA CC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 368105 CGRILFYOZWEJCI-UHFFFAOYSA-N 335.454 2.969 0 50 EFAA Cn1cnnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 418127 YLXSZXJFJCMSHZ-UHFFFAOYSA-N 331.426 2.669 0 50 EFAA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 461511 IIFQYIBHUWJXCJ-UHFFFAOYSA-N 346.452 2.596 0 50 EFAA O=C1Nc2ccc(S(=O)(=O)N3CCCCCC3)c3cccc1c23 620293 YNKSOXHOZIFYAN-UHFFFAOYSA-N 330.409 2.970 0 50 EFAA COC(=O)CNc1nc(Cl)nc(Nc2ccc(C(C)C)cc2)n1 2905120 OZXVKMJTOPNKEI-UHFFFAOYSA-N 335.795 2.977 0 50 EFAA COc1ccc(-c2onc(NCCN3CCCC3)c2C(=O)O)cc1 2356155115 XPNBGXXNMFRNDI-UHFFFAOYSA-N 331.372 2.556 0 50 EFAA CS(=O)(=O)c1ccc(CN2CC3(COc4ccccc4C3)C2)cc1 2356162991 OJTVIURQVOYFHQ-UHFFFAOYSA-N 343.448 2.527 0 50 EFAA CCC(=O)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1 4412372 ZUKQBMZLWMOQHH-UHFFFAOYSA-N 333.355 2.765 0 50 EFAA C[C@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 4942782 JLZLSAYURDVGSD-GXTWGEPZSA-N 330.359 2.669 0 50 EFAA CCNc1ncc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)cn1 55392844 XPHSYQBHNXIXRW-OAHLLOKOSA-N 346.456 2.791 0 50 EFAA CC(C)n1c(S)nnc1CCNC(=O)C[C@@H]1CCc2ccccc21 115377258 YCOLDGYCTACPSG-AWEZNQCLSA-N 344.484 2.927 0 50 EFAA O=C(N=c1cc[nH]cc1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 345889929 YLLYFPOWVKPMEQ-HNNXBMFYSA-N 349.337 2.710 0 50 EFAA O=C1C[C@@H](NCc2nc3ccccc3o2)[C@H](c2cccnc2)N1C1CC1 346888843 UNEYNCIPMLKGIB-UZLBHIALSA-N 348.406 2.817 0 50 EFAA Nc1nccc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)n1 67834459 SSWJZUBTCAYTAK-UHFFFAOYSA-N 338.390 2.972 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1F 348270799 YPWUJQQVDIULFK-HOCLYGCPSA-N 333.334 2.922 0 50 EFAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCC(=O)NC2)cc1 119980400 MEEPAENRUHERJD-ZDUSSCGKSA-N 340.379 2.952 0 50 EFAA CSc1nnc(-c2noc(-c3cccc4nc(O)oc34)n2)s1 350919807 ZRXNBMUEKQYCBB-UHFFFAOYSA-N 333.354 2.824 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 229415942 WXLSFICOOXGJFC-VNQPRFMTSA-N 325.412 2.928 0 50 EFAA CCn1ncc(Cl)c1C(=O)N1Cc2cnc(CC(C)C)nc2C1 67878839 UXPCFTZSEIOOBU-UHFFFAOYSA-N 333.823 2.701 0 50 EFAA Cn1cc(Br)c(C(=O)NC2C3CC4CC(C3)CC2C4)n1 375547 YEEUPRCHPAKFJO-UHFFFAOYSA-N 338.249 2.737 0 50 EFAA CCn1nc(C)c2c(C(=O)OC)cc(-c3ccc4c(c3)OCO4)nc21 2732421 XFIVPVPJPDTZMT-UHFFFAOYSA-N 339.351 2.942 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)c2ccc(O)c(Cl)c2)c2ccccc21 215595672 MSLNTCVDVJIVIY-LBPRGKRZSA-N 344.798 2.926 0 50 EFAA F[C@H]1C[C@@H](CN[C@@H]2CCc3ccccc3C2)N(Cc2cncnc2)C1 328622003 AVWIDTDHYCDESF-ZCNNSNEGSA-N 340.446 2.536 0 50 EFAA C[C@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@@H](c2ccsc2)O1 253430099 HWWGJSBEULVQKJ-GWCFXTLKSA-N 341.383 2.812 0 50 EFAA COc1cccc(C[C@@]2(C(=O)O)CCCN(Cc3ccccn3)C2)c1 71415719 NFCWDSLJCIYSFY-FQEVSTJZSA-N 340.423 3.000 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1nc(C(C)(C)C)n[nH]1 330329605 MRDKIYNIYDJMIE-KGLIPLIRSA-N 326.448 2.656 0 50 EFAA Cc1ccc([C@@H](NC(=O)c2ccc(=O)n(C)c2)c2cccnc2)c(C)c1 215185750 PSWBOVWWAPZXRH-FQEVSTJZSA-N 347.418 2.917 0 50 EFAA Cn1c(CCN2CC[C@@]3(C2)C(=O)Nc2ccccc23)nc2ccccc21 364434837 PFKTXEHLUGQRFX-NRFANRHFSA-N 346.434 2.712 0 50 EFAA CS(=O)(=O)CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367662059 ARZZDYWTPWLLEU-BQFCYCMXSA-N 349.496 2.854 0 50 EFAA Cc1cc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)ccc1F 72233772 HFZKFAMFGUIKQB-JSGCOSHPSA-N 339.363 2.976 0 50 EFAA CCn1cnc2c(N[C@@H]3CCN(c4c(F)cccc4F)C3)ncnc21 378126466 MJTHQNNOUSKRPH-LLVKDONJSA-N 344.369 2.815 0 50 EFAA O=C(NC1CC1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 159208507 ZJLZQYWYEAAYNL-JTQLQIEISA-N 348.756 2.794 0 50 EFAA C[C@H]1CC[C@@](C)(C(=O)NCCC(=O)NCc2ccccn2)C1(C)C 457719897 VRBUFWYBUUEWMX-LIRRHRJNSA-N 331.460 2.667 0 50 EFAA Cc1ccnc(N2CCN(C(=O)Cc3cnc4ccccc4c3)CC2)c1 132426465 YYHZFFFDHQENOD-UHFFFAOYSA-N 346.434 2.830 0 50 EFAA CCS(=O)(=O)c1ccc([C@@H](C)Nc2cccc(C(=O)O)n2)cc1 263393366 GXOBCLVUCHNLRF-LLVKDONJSA-N 334.397 2.747 0 50 EFAA CCOc1ccc(CN2CCN(c3cnn(C)c3)CC2)cc1OCC 175291977 FLRDIYGSJCTLCG-UHFFFAOYSA-N 344.459 2.540 0 50 EFAA CC(C)(C)c1cc(CNC(=O)C2CCN(Cc3ccco3)CC2)[nH]n1 221206230 WPHBSBCMGDGWTA-UHFFFAOYSA-N 344.459 2.829 0 50 EFAA COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1sc(C)nc1C 177536942 ZPPJOTSSEBRKRQ-ZDUSSCGKSA-N 338.454 2.734 0 50 EFAA NCCOc1cccc(CC(=O)NC2(c3cc(F)cc(F)c3)CC2)c1 426386915 OLEVUXRRSBNXSA-UHFFFAOYSA-N 346.377 2.650 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnc(C(C)C)s1 291707902 OQVWRIBDECULLX-ZDUSSCGKSA-N 329.425 2.584 0 50 EFAA NC(=O)CCCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 426490200 JJEZDXDEQQXGEX-XHSDSOJGSA-N 340.427 2.571 0 50 EFAA CC(C)(C)c1cc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)n[nH]1 91452599 BKAMPHXPCGZWAA-IAGOWNOFSA-N 348.535 2.624 0 50 EFAA Cc1nc(CN2CCN(C(=O)c3cc(CC(C)C)no3)CC2)cs1 91351154 UVSPMLDUGVZTOC-UHFFFAOYSA-N 348.472 2.596 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCN3CCCCC3)C2)cc1 95367435 GJSWGVYDXPHIQB-GOSISDBHSA-N 344.455 2.967 0 50 EFAA CCn1ccc2ccc(CN3C[C@@H](CO)C[C@H](CN(C)C)C3)cc21 91551766 KMHLQCIMKCSERT-MSOLQXFVSA-N 329.488 2.653 0 50 EFAA COCc1cccc(C(=O)NCc2cc3c(cc2OC)CCC3)n1 97772843 HGKWMTAFZNITST-UHFFFAOYSA-N 326.396 2.655 0 50 EFAA O=C(c1csc(Nc2cc(F)cc(F)c2)n1)N1CCC[C@@H](O)C1 294722202 BZGAKKGLLDEGQK-GFCCVEGCSA-N 339.367 2.762 0 50 EFAA O=C(N[C@@H](CCO)c1ccco1)c1ccn(CCc2ccccc2)n1 294927575 HDSYWPKEKCZOAD-INIZCTEOSA-N 339.395 2.572 0 50 EFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cn2cccnc2n1 91365203 PEQMENWSZQWBAW-AWEZNQCLSA-N 346.390 2.966 0 50 EFAA CC(C)N1CCC[C@@]2(CCN(C(=O)NCCc3cccs3)C2)C1=O 91547709 DDYZUNSJHZIUTF-SFHVURJKSA-N 349.500 2.723 0 50 EFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(C)n1C 91829185 HBHNONRBXXYADG-FQEVSTJZSA-N 343.471 2.507 0 50 EFAA O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@H]1CCCO1 244584426 CZCCSGOHGQOHTD-BRWVUGGUSA-N 329.396 2.930 0 50 EFAA CN(C/C=C/c1ccccc1)Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 252532846 FIHIPXDCEHYLMG-HGQRNUMOSA-N 337.471 2.963 0 50 EFAA O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)NC1CCCCC1 252482431 DFEYRWQOONZNFL-UHFFFAOYSA-N 348.462 2.948 0 50 EFAA Cc1cccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 184199270 IFMVCGMQMJDQQE-INIZCTEOSA-N 338.411 2.560 0 50 EFAA COc1ccc2oc(CN3C[C@@H](C(N)=O)[C@H](C(F)(F)F)C3)cc2c1 299745608 RIYSICXQGVHMJM-CHWSQXEVSA-N 342.317 2.537 0 50 EFAA C[C@H](c1ccccc1)N(C)C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 299743884 PUDCNYZRCNKSIO-UBDQQSCGSA-N 344.455 2.924 0 50 EFAA COc1ccc(NC(=O)CN2CCCC[C@@H]2CCn2cccn2)cc1 252503670 VFLFXEHHPJQOGQ-QGZVFWFLSA-N 342.443 2.775 0 50 EFAA O=C(CCc1cc(O)no1)NC[C@H](c1ccccc1)N1CCCCC1 299797619 OVAREOUGVIUXLJ-QGZVFWFLSA-N 343.427 2.656 0 50 EFAA c1ccc(-c2ccc(C[C@@H]3CC[C@H](CN4CCOCC4)O3)nn2)cc1 952854531 LTEYOJJOXZNYME-RBUKOAKNSA-N 339.439 2.566 0 50 EFAA CC(C)Oc1cccc(CCNC(=O)CCN2CCCCCC2=O)c1 952969558 OBMVLFLUKXTHEL-UHFFFAOYSA-N 346.471 2.925 0 50 EFAA Cc1ccc(Br)cc1C(=O)N1CCC[C@H]1c1nncn1C 271117491 IFYZSSMAMFCJBS-ZDUSSCGKSA-N 349.232 2.863 0 50 EFAA CC1(C)CN(C(=O)COc2ccccc2C(F)(F)F)CC[C@H]1O 275775619 GAFXYYXCFLIEBQ-CYBMUJFWSA-N 331.334 2.704 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N(C[C@@H]2CCCN2)C2CC2)c1C 186532424 JSZQBLFLEAIJSS-INIZCTEOSA-N 338.455 2.846 0 50 EFAA COc1cccc(CN2CCOC[C@H]2CC(=O)c2cccs2)n1 170602745 LKCVAKCLHNVDSY-CQSZACIVSA-N 332.425 2.626 0 50 EFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCOc2ccccc21 171163925 HLRJPBJVIPGXEE-INIZCTEOSA-N 335.367 2.913 0 50 EFAA COC(=O)N[C@H](CC(C)C)C(=O)N1Cc2ccccc2C2(CC2)C1 187289722 OASBPFBJJDPPIY-MRXNPFEDSA-N 330.428 2.831 0 50 EFAA C[C@@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@H]1n1ccnc1 190373500 JREYIDBLGOSCKP-CXAGYDPISA-N 348.397 2.997 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)nn1 643707353 UXBSNSRPVFHGQQ-KRWDZBQOSA-N 349.442 2.665 0 50 EFAA Cc1ncccc1NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644378001 VKEQIFYFCGFRMH-HXUWFJFHSA-N 339.439 2.746 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCCN(C3CCCC3)CC2)cc1 191827487 ANOWHSLEUMHLJX-UHFFFAOYSA-N 336.501 2.935 0 50 EFAA C[C@@H](Cc1nc(COc2ccc(F)cc2)no1)N1CCCCC1=O 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COc1ccc([C@H](CCO)NC(=O)c2cc3c(s2)CCOC3)cc1 123709470 ICKHCAMBKGVMDS-HNNXBMFYSA-N 347.436 2.683 0 50 EFAA CC1(C)CN(C(=O)C2CCC(O)CC2)C[C@H](COc2ccccc2)O1 331803271 MOKMVTADSSRIND-LEOMRAHMSA-N 347.455 2.623 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434263 CDRGTNOUTVTFLJ-NHYWBVRUSA-N 341.411 2.746 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)CCc2ccccc2O)C1 163721787 RWCQLEUDDJZSBJ-INIZCTEOSA-N 340.423 2.729 0 50 EFAA O=C1CN(C[C@H](O)c2ccccc2Cl)CCN1c1ccccc1 800371910 MHJKPCHSHWFPRW-KRWDZBQOSA-N 330.815 2.722 0 50 EFAA CC(C)c1ccc(-n2cc(O)c(C(=O)OCCn3ccnc3)n2)cc1 801412632 ONOHUYRBEGKRBP-UHFFFAOYSA-N 340.383 2.755 0 50 EFAA CC(C)Oc1ccc(S(=O)(=O)Nc2noc3c2CCCC3)cn1 903672276 KQQRHBNQCIHQPV-UHFFFAOYSA-N 337.401 2.536 0 50 EFAA CC(C)c1nc([C@@H]2CCCN(Cc3cncc(C(=O)O)c3)C2)no1 903889673 OKCOPQPNQQRQQI-CYBMUJFWSA-N 330.388 2.666 0 50 EFAA CN(C(=O)Cc1ccn(CC(F)(F)F)n1)c1cnc2ccccc2n1 905708720 SFDGLTGDHOPEKU-UHFFFAOYSA-N 349.316 2.594 0 50 EFAA Cc1ncc(C(=O)O)cc1C(=O)N(C)C[C@H]1OCCc2sccc21 910505413 JOJPBNJHDRQKMQ-CQSZACIVSA-N 346.408 2.536 0 50 EFAA Cc1nc(-c2ccccc2)oc1CN1CCO[C@@H](c2ccnn2C)C1 933546485 ZOZUGGFIRHJUEM-GOSISDBHSA-N 338.411 2.957 0 50 EFAA O=C(c1cc2cccn2cn1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 934001678 HELVNJVUJTWCPG-CYBMUJFWSA-N 337.383 2.615 0 50 EFAA CCCc1nc(Cn2nc(C)c([C@@H]3COCCN3C)c2C)cs1 852963148 WARLKJYIOWZAIF-HNNXBMFYSA-N 334.489 2.960 0 50 EFAA CC[C@@H]1NCC[C@H]1N[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 863543789 YUOKHEJHYUZQRY-JCGIZDLHSA-N 328.460 2.731 0 50 EFAA CC[S@](C)(=O)=NS(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2 867086327 NLGKLDJWGMLRSN-NRFANRHFSA-N 347.458 2.532 0 50 EFAA C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1coc(CC2CC2)n1 1756821322 MMBHPLXOOPFOBO-NRBOULDASA-N 333.432 2.606 0 50 EFAA Cc1cc(OCCC[C@](C)(On2cccn2)C(=O)O)ccc1Cl 1875280763 PJADJFDWXONETB-INIZCTEOSA-N 338.791 2.976 0 50 EFAA NC[C@]12CCCC[C@H]1CN(C(=O)c1ccc3ncccc3c1F)C2 1875304257 FMRZVVTZIHESIB-DJJJIMSYSA-N 327.403 2.965 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1cccc2c1OCCCO2 1875304886 YKCMQIQPCUMUBC-UHFFFAOYSA-N 345.395 2.755 0 50 EFAA CS(C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)cc1 891013644 BEJRLBZEEGMEFL-AKSVOJBYSA-N 346.452 2.785 0 50 EFAA Cc1nc(CN2CCC(CNc3nccn4cncc34)CC2)oc1C 892478512 KXBAQCFUJMLAIF-UHFFFAOYSA-N 340.431 2.658 0 50 EFAA C[C@H](CNC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(Br)cc1 897079721 IBEZSUWCKXCZDF-JTNHKYCSSA-N 341.249 2.717 0 50 EFAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 4653369 YQNUBYFIMKNSHQ-KRWDZBQOSA-N 347.436 2.968 0 50 EFAA CN=c1ncc(C(=O)Nc2cc(-c3ccccc3)c(C)c(C)n2)c[nH]1 2100482242 KSZVOXQOHZDZPY-UHFFFAOYSA-N 333.395 2.871 0 50 EFAA CCOC(=O)c1cc(I)c(-c2cc(C)no2)[nH]1 337798 DJAMOWQYBRSLBG-UHFFFAOYSA-N 346.124 2.759 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2Cc3cccc(C(=O)O)c3C2)s1 2325756130 RDLKGCWHFXTKDQ-UHFFFAOYSA-N 337.422 2.768 0 50 EFAA COc1cccc([C@@H]2[C@@H](N[C@H]3CCN(C4CC4)C3)CCN2C2CC2)c1 2325773991 OCJHDTMILWDNKY-ORYQWCPZSA-N 341.499 2.799 0 50 EFAA CC1(C)OC2(CCN(C[C@H]3CC[C@]4(C3)CC4(F)F)CC2)NC1=O 2325778703 KMHSOYACEBRFFD-WFASDCNBSA-N 328.403 2.529 0 50 EFAA Cc1cc2c(cn1)CCN2S(=O)(=O)CC1(C(F)F)CCCC1 2325782747 BKXUPJZBZAGMTC-UHFFFAOYSA-N 330.400 2.908 0 50 EFAA CNC1(CC(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1 2325789368 LTAMJFCXPUQYOZ-UHFFFAOYSA-N 344.846 2.757 0 50 EFAA Cc1c(C(=O)NCC[C@H]2CCc3ccccc3C2)cnc2ccnn12 2325819946 VVXGHAAZQWKZAX-OAHLLOKOSA-N 334.423 2.963 0 50 EFAA CN(CC(C)(C)NC(=O)c1ccc2cccnc2c1)C(=O)[C@@H]1C[C@H]1F 2325871787 ZVJZJHVAHRCAOI-HUUCEWRRSA-N 343.402 2.560 0 50 EFAA COC(=O)[C@H](C)n1cnc2scc(-c3ccc(OC)cc3)c2c1=O 98532 NKZAAJUFQVGOFW-JTQLQIEISA-N 344.392 2.868 0 50 EFAA Cc1cc2ncn(C[C@H](O)COc3ccc(C(=O)O)cc3)c2cc1C 98535 SPOFGIRCRRPIIO-HNNXBMFYSA-N 340.379 2.791 0 50 EFAA Cc1cc(OC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Cl 149517 FGHQRBXIKRPZJL-UHFFFAOYSA-N 329.739 2.850 0 50 EFAA CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C 473933 AJWYWTCTNWXPOJ-UHFFFAOYSA-N 334.353 2.609 0 50 EFAA CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CC)c3ccccc32)cc1 565232 QRORDCVKKIFDNK-HXUWFJFHSA-N 339.391 2.912 0 50 EFAA COC(=O)c1ccc(OCCOCCOc2cccc(OC)c2)cc1 2985284 UIOCHEXMGSULQW-UHFFFAOYSA-N 346.379 2.956 0 50 EFAA O=C(O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 4757637 VMRGPPQBSRMQNX-UHFFFAOYSA-N 327.365 2.817 0 50 EFAA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C 6471428 WNSXTRPLMDKPAC-UHFFFAOYSA-N 332.425 2.820 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 6725626 NRUIVYKZCCPBQD-UHFFFAOYSA-N 346.452 2.946 0 50 EFAA Cc1nnc(SCC(=O)Nc2cccc(Br)c2)n1C 7234974 PCXZNHIZYGXYPR-UHFFFAOYSA-N 341.234 2.617 0 50 EFAA CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 10541035 OLCAZESLAWDYLF-UHFFFAOYSA-N 344.908 2.881 0 50 EFAA C[C@@H](Cc1ccsc1)NC(=O)c1ccccc1N1CCOCC1 58406370 PAMMFISVDBSXRQ-AWEZNQCLSA-N 330.453 2.946 0 50 EFAA CN1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1 20406596 NDFHQKZWHBNNLB-UHFFFAOYSA-N 344.465 2.694 0 50 EFAA Cn1c([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc2ccccc21 68269627 WILLNHWEWNIPCN-QGZVFWFLSA-N 346.394 2.822 0 50 EFAA Cc1nnc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)n1C 125974548 BPZFNVSOEQUUMQ-IBGZPJMESA-N 346.438 2.889 0 50 EFAA C[C@@H](COc1ccccc1)NC1CCN(C(=O)c2ccco2)CC1 65370047 CTTIRRJORFJTFO-HNNXBMFYSA-N 328.412 2.941 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2COc3ccccc3C2)c1-c1ccccc1 252536381 IJCYXJKJALZUOK-INIZCTEOSA-N 333.391 2.821 0 50 EFAA Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)C2)n1 252517199 BWWKLPDTPZIZNT-JKIFEVAISA-N 342.443 2.823 0 50 EFAA CCCn1ncc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1C 39442961 XAMXCWJUWGOWFQ-GOSISDBHSA-N 336.524 2.516 0 50 EFAA COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1OC 350356 CHHJMBZCFHFPBH-UHFFFAOYSA-N 332.444 2.794 0 50 EFAA CCc1nc(C)c(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)[nH]1 12317190 BEAAYGBCUZWEGO-FQEVSTJZSA-N 344.503 2.895 0 50 EFAA CNc1nc(C)cc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)n1 72474933 ZUOJQVJMYPQBTC-KRWDZBQOSA-N 337.471 2.870 0 50 EFAA O=C(C[C@H]1CCCN1c1nccn2cnnc12)c1ccc(F)cc1 253426435 OTLCHPWQYRDLOS-CQSZACIVSA-N 325.347 2.505 0 50 EFAA COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCCC1 34925619 DZXFFSGYXRUIDR-OALUTQOASA-N 330.472 2.926 0 50 EFAA Cc1nc(S)sc1CC(=O)NC[C@@H](C)c1c(C)noc1C 152564905 NYUYJLGHJNZMLI-SSDOTTSWSA-N 325.459 2.807 0 50 EFAA C[C@@H](C(=O)Nc1cc(C(F)(F)F)[nH]n1)[C@@H]1OCCc2sccc21 331666051 YFWKAFVWHYCTAL-KRTXAFLBSA-N 345.346 3.379 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccccc1F 376147649 COHSDUDFSSBHQF-HNNXBMFYSA-N 332.379 2.781 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331926118 MGZDNPQHDWDERD-SJKOYZFVSA-N 347.365 2.574 0 50 EFAA Cc1oc(-c2cccs2)nc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 367446179 CDEYTFIHHVZDAC-LRDDRELGSA-N 331.441 2.858 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCc2cnc(C)o2)c1 458068601 LATCUXZPMQFCHY-UHFFFAOYSA-N 330.262 2.820 0 50 EFAA CC(=O)N1C[C@@H](C)CN(C(=O)/C=C/c2ccncn2)c2ccccc21 371794910 JDOJDSCOYLPNMK-HSBSLETESA-N 336.395 2.526 0 50 EFAA Cc1c[nH]nc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 378140632 ZGRGRTNGMBOUQQ-GFCCVEGCSA-N 333.823 2.617 0 50 EFAA Cc1cccc(CC(=O)NCc2cccc(-n3ccc(C(=O)O)n3)c2)c1 373835082 FQKUBTRMRNSUCG-UHFFFAOYSA-N 349.390 2.738 0 50 EFAA Cc1c(C(=O)NC[C@H](C)CN)nnn1-c1ccc(-c2ccccc2)cc1 237594448 CSMAVDPRECGIBF-CQSZACIVSA-N 349.438 2.567 0 50 EFAA COC[C@@H](NC1CCN(c2nnc(C)s2)CC1)c1ccc(C)o1 241707042 QMDQXALEPFIXEE-CQSZACIVSA-N 336.461 2.694 0 50 EFAA Cc1oncc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 375437117 IRKKWHDEMPPLDH-HNNXBMFYSA-N 332.404 2.987 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[C@@](C)(C(=O)O)C1 237740990 CGXPUCDRJQXXAM-GOSISDBHSA-N 345.374 2.565 0 50 EFAA CC(=O)N1CC[C@H](NCc2ccc(CO)c(F)c2)c2ccccc2C1 378492842 HGDOBUDXCAHGSW-FQEVSTJZSA-N 342.414 2.901 0 50 EFAA C[C@H]1C[C@@H](C(=O)O)CN(c2cc(N3CCc4ccccc43)ncn2)C1 263250709 SUGQWXUWUKWUCV-DZGCQCFKSA-N 338.411 2.718 0 50 EFAA Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)O)c(C)n2)s1 263369849 XQCCFYMHBIYPFI-SNVBAGLBSA-N 333.413 2.995 0 50 EFAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1ncccc1C(F)(F)F 286553212 XKMFIEHBEYCQNW-GXTWGEPZSA-N 337.301 2.755 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@@H](c2ccccc2)C1 426544402 OUVBLOQFHFOQIP-GOSISDBHSA-N 342.443 2.742 0 50 EFAA O=C(CCc1cccnc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223358074 YYFZPCVZLFNTBT-RTBURBONSA-N 340.423 2.505 0 50 EFAA COC(=O)CN[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 289690619 BGZGSNHMQJGJMJ-OAHLLOKOSA-N 336.432 2.795 0 50 EFAA BrCc1cc2c(cc1I)OCO2 137491913 VRDLFDFGPIQUDK-UHFFFAOYSA-N 340.942 2.915 0 50 EFAA CC(C)CN1CCCn2nc(CNc3ncnc4c3CCC4)cc2C1 82096674 OTWYDNCCMOKVKS-UHFFFAOYSA-N 340.475 2.636 0 50 EFAA O=C(O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 91691947 RCMPMDCOBDJAAE-NWDGAFQWSA-N 331.290 2.908 0 50 EFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C)c2C(N)=O)C1 239402928 RHMICHSDXWYFJU-VXGBXAGGSA-N 349.500 2.785 0 50 EFAA CN(CCCN1CCCCCC1)C(=O)[C@@H]1Cc2ccccc2CN1C 95363344 JQARFXFGCSUGBN-FQEVSTJZSA-N 343.515 2.768 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ccc3ncccc3c2N)CC1 95494825 QWGFXNRELFUQST-UHFFFAOYSA-N 328.416 2.874 0 50 EFAA O=C(N[C@@H]1CCNC1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 91550465 HNCAJOGPABDLNA-LLVKDONJSA-N 341.358 2.921 0 50 EFAA CC(C)Oc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)nc(N)n1 97759187 LZOONTATPHXTTR-CQSZACIVSA-N 342.443 2.906 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 179024953 MTEJZNAOKSEATK-QWRGUYRKSA-N 331.243 2.829 0 50 EFAA Cc1nc(NCCc2noc([C@@H]3CCCO3)n2)c2sccc2n1 91894783 AVJNQIAZVVXKLQ-NSHDSACASA-N 331.401 2.889 0 50 EFAA O=C1C[C@@H](C(=O)NCCSc2ccccn2)c2ccc(F)cc2N1 97756555 IKLTYAFAVCGDBP-CYBMUJFWSA-N 345.399 2.555 0 50 EFAA CC(C)N1CCC(C(=O)N2CCCC[C@@H]2CCn2cccn2)CC1 95391425 VCLGAYGRCWXCQE-GOSISDBHSA-N 332.492 2.775 0 50 EFAA Cc1cc(C)c2c(CC(=O)NCCN3CCCC[C@@H]3CO)coc2c1 97732723 GKBGNTATCKLYTJ-QGZVFWFLSA-N 344.455 2.555 0 50 EFAA Cc1cc(N2CCC[C@H](c3nccn3CC(N)=O)C2)nc2ccccc12 95525527 PLMDMHZDWRLSEN-HNNXBMFYSA-N 349.438 2.609 0 50 EFAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCCC[C@@H]1c1nccs1 264103024 FWBKAAVVBXGJMX-CYBMUJFWSA-N 340.408 2.747 0 50 EFAA C[C@H](CCNC(=O)N1CCN(C2CCCC2)C(=O)C1)c1ccccc1 584887935 GUQDZSXMHPUTFJ-MRXNPFEDSA-N 343.471 2.977 0 50 EFAA O=c1c2cccc(F)c2ncn1Cc1nncn1C1CCCCC1 584897973 BGKZVVRVFLQYCT-UHFFFAOYSA-N 327.363 2.681 0 50 EFAA O=C([C@@H]1CCC[C@H](O)C1)N(CCCO)Cc1ccc(Cl)cc1 1565530225 FRGYRCYGWGPKOH-ZBFHGGJFSA-N 325.836 2.602 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CCO1 268937676 CNMKUXBRMQGNRJ-HNNXBMFYSA-N 341.363 2.795 0 50 EFAA O=C(CCC(=O)N1CCC[C@@H]1c1ccccc1)Nc1nncs1 952975470 DYQWOUIRVPITIV-CYBMUJFWSA-N 330.413 2.621 0 50 EFAA Cc1cc(NC(=O)c2cnn(C3CCOCC3)c2C)ccc1C(=O)O 190978747 RDVHDHXVLKMGDS-UHFFFAOYSA-N 343.383 2.802 0 50 EFAA COc1ccc(C[C@H](C)CN2CC(OCc3nc(C)no3)C2)cc1F 643831169 LKPSWFPCYNWVNY-LBPRGKRZSA-N 349.406 2.605 0 50 EFAA O=C(NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)c1ccc(F)c(F)c1F 644187716 BLRVAQIHGSUPMW-BJOHPYRUSA-N 339.317 2.725 0 50 EFAA C[C@H](Oc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)c1ccccc1 191822587 BFCCDRGJSYCXNE-KSSFIOAISA-N 338.407 2.917 0 50 EFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1ncccc1Br 193830794 XGPPAMKBHQQSJL-LBPRGKRZSA-N 349.184 2.912 0 50 EFAA Cc1c(C(=O)NC2CCC(C(=O)O)CC2)cnn1-c1ccccc1 195542007 JSWXYYYDVLWPJD-UHFFFAOYSA-N 327.384 2.554 0 50 EFAA CCOc1nc(C(=O)NCc2c(F)cccc2N2CCCC2)co1 672053576 UHBIFGPFSQKIET-UHFFFAOYSA-N 333.363 2.743 0 50 EFAA Cc1nnc(SCC(=O)NCc2cc(-c3ccccc3F)no2)o1 1506417980 MZHYKLTVOOHXSE-UHFFFAOYSA-N 348.359 2.581 0 50 EFAA Cc1ccccc1OC[C@H]1CCCN(c2cnc(C(=O)O)cn2)C1 1529178447 LPQIUCYYOPCZDH-AWEZNQCLSA-N 327.384 2.779 0 50 EFAA O=C(O)c1cc(Br)cc(I)c1 156377 MKJBJYCBKXPQSY-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro CCc1nc(N)sc1C(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 211471492 MDSHXDBBWXHXOA-BZNIZROVSA-N 325.478 2.547 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(Cl)c(F)c1)C2 216532136 JZPSASDQDWVBCS-OLZOCXBDSA-N 338.810 2.952 0 50 EFAA CCC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO 355338056 QFFAGZSWOTUFRN-SNVBAGLBSA-N 330.222 2.798 0 50 EFAA O=C(Cn1ccc2ccccc21)N1CCCN([C@@H]2CCSC2)CC1 1775982946 VSLSUSMWFZTTDN-QGZVFWFLSA-N 343.496 2.681 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ccncc1 11821547 CBXKMQBLDFUARP-LJQANCHMSA-N 347.422 2.870 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12055680 WUAFFGMCGMNGFR-IRXDYDNUSA-N 334.391 2.541 0 50 EFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)o1 14829169 SAFPDLBWHUXFPA-UHFFFAOYSA-N 348.424 2.933 0 50 EFAA CN(c1ncccc1CNC(=O)c1csnn1)C1CCCCC1 15078007 ATLDPSSRFADFJL-UHFFFAOYSA-N 331.445 2.632 0 50 EFAA Cc1cc2c(cc1C)[n+](C[C@@H](O)COC[C@@H]1CC=CCC1)cn2C 15746000 HLYUHARIZFXDFI-QZTJIDSGSA-N 329.464 2.816 0 50 EFAA CCn1c(S)nnc1CCN1CCN(c2cccc(C)c2C)CC1 16671165 NIBQMEQNTDGCEI-UHFFFAOYSA-N 345.516 2.568 0 50 EFAA CSCC[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 206411912 SFGJVXVSUTVEJT-GFCCVEGCSA-N 340.832 2.617 0 50 EFAA Cc1ccc2nc(SCC(=O)N3CC4(CN(C)C4)C3)cc(C)c2c1 1857680800 POOBKJWPAPBGGZ-UHFFFAOYSA-N 341.480 2.718 0 50 EFAA O=C1CCOC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)CN1 1857733416 JYWHCZHHMDWNSR-UHFFFAOYSA-N 347.459 2.593 0 50 EFAA CC(C)c1ccc(OCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 331568609 JYAWDNBMCDRNHX-IPMKNSEASA-N 347.455 2.577 0 50 EFAA Cc1nc([C@@H]2CCN(C(=O)c3csc(Br)c3)C2)n[nH]1 333988717 IJZLMCOGCLKVGI-MRVPVSSYSA-N 341.234 2.567 0 50 EFAA O=C(c1ccncc1Cl)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348254782 GAMXSNOGYIBSQG-MEBBXXQBSA-N 338.741 2.961 0 50 EFAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)c1ccc2ncccc2c1 678979295 RKPNDWXCQCDUJA-HXUWFJFHSA-N 332.359 2.891 0 50 EFAA O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CC(O)(C2CC2)C1 375991888 CAPHCLSSGHDQDB-DOMZBBRYSA-N 339.794 2.540 0 50 EFAA Cc1cnc(CCNC(=O)[C@H]2C[C@]23CCOc2ccccc23)s1 390832868 ILPDAZRCRJKQSG-KDOFPFPSSA-N 328.437 2.851 0 50 EFAA Cc1nc(C)c(CC(=O)N2CC[C@@H](C(=O)O)c3ccccc32)s1 901636864 NUIHGMNTSXCCHG-CYBMUJFWSA-N 330.409 2.908 0 50 EFAA Cc1cc(C)c(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c(C)c1 910621643 PMAOZTNKCWDQCS-XAUUPUKJSA-N 331.412 2.754 0 50 EFAA C=CC(=O)N(C)CC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 860032193 UXPHTGGLABLGCV-OAHLLOKOSA-N 329.444 2.957 0 50 EFAA Cn1c(=O)oc2ccc(NC3CC(CNC(=O)OC(C)(C)C)C3)cc21 864086044 AOHHFEXIVBBJOK-UHFFFAOYSA-N 347.415 2.847 0 50 EFAA CCOCc1cccc(S(=O)(=O)N2CCc3cc(F)cnc32)c1 1875279942 MBWFWECUQYEWFH-UHFFFAOYSA-N 336.388 2.509 0 50 EFAA O=C(c1cnn(C(F)F)c1)N1CCC2(CC1)COc1ccccc12 1875298279 VSDOBIYTRLRTRJ-UHFFFAOYSA-N 333.338 2.845 0 50 EFAA CCn1cnc(NC(=O)[C@H](C)c2ccc(Br)s2)n1 1875271869 CZVLJEFIQQHOIF-SSDOTTSWSA-N 329.223 2.864 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCCc2nc(CC)cs2)cc1 1875374055 ZCXIAQWASWOSHZ-UHFFFAOYSA-N 343.452 2.827 0 50 EFAA O=S(=O)([C@H]1CC12CCC2)N1CCN[C@H](c2ccccc2Cl)C1 1875397345 WTKFVKDHFNJUOM-GJZGRUSLSA-N 340.876 2.559 0 50 EFAA Cc1ncccc1C(=O)NC[C@@H]1CN(C(=O)C2CC2)Cc2ccccc21 1875336118 SLIMZILYKMXQRL-QGZVFWFLSA-N 349.434 2.656 0 50 EFAA CCO[C@]1(c2nnc(COc3cc(F)ccc3F)o2)CCOC1 886082252 PTPGAVSHJQQNKY-OAHLLOKOSA-N 326.299 2.579 0 50 EFAA CCc1nc(-c2ccc(C(=O)NC3(c4ccccc4)COC3)cc2)n[nH]1 888566436 VBOZKOOZTVBYFW-UHFFFAOYSA-N 348.406 2.690 0 50 EFAA NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Oc2ccccn2)c1 893944176 WFSIUNSIJWGMMS-AYBZRNKSSA-N 337.423 2.960 0 50 EFAA CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 562898 QKAJGVBTDXSHBA-VIFPVBQESA-N 336.251 2.925 0 50 EFAA COC(=O)c1ccccc1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 6697631 OBGQETCBTJMALE-ZWKOTPCHSA-N 332.352 2.501 0 50 EFAA CCC(=O)Nc1cccc(OCC(=O)N2CCOC[C@H]2CC(C)C)c1 55413184 WXWNAMSXWZCQRT-MRXNPFEDSA-N 348.443 2.687 0 50 EFAA O=C1C[C@@]2(CCN(C(=O)c3cc(Cl)c[nH]3)C2)Oc2ccccc21 412653635 HYXUFASFUQQSOK-QGZVFWFLSA-N 330.771 2.918 0 50 EFAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 8097591 RZSOBNYEXCPSHA-UHFFFAOYSA-N 327.336 2.887 0 50 EFAA CCN(CC)CCSc1nc(=O)cc(O)n1-c1ccccc1C 100332859 MYVSYTSOZFMISG-UHFFFAOYSA-N 333.457 2.680 0 50 EFAA Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cnn1C 280915367 HFIJEFSCRFOTPX-SMDDNHRTSA-N 338.333 2.501 0 50 EFAA CN(CCCn1cccn1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 23373459 ARQGXFYWKSOMRE-FQEVSTJZSA-N 338.499 2.837 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc(-n2cncn2)cc1 115030544 KQGOTXUIDLKKLD-IBGZPJMESA-N 348.406 2.588 0 50 EFAA COc1cccc(CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 344316116 YWNJHEYBIQRSSD-UHFFFAOYSA-N 326.331 2.801 0 50 EFAA CCCCc1ccc(C(=O)N2CCC(Cc3nncn3C)CC2)nc1 55271329 FBOZSRUANNDNAB-UHFFFAOYSA-N 341.459 2.648 0 50 EFAA CC(=O)NC[C@@H]1CCCN(Cc2cc(C)n(-c3cccnc3)c2C)C1 67974740 DSHJCRGGSOZTFK-SFHVURJKSA-N 340.471 2.837 0 50 EFAA C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379589 NHYRMCGOVKAZMJ-VFOQYASISA-N 345.439 2.665 0 50 EFAA O=C(c1cnccn1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67804634 CBWKEPKBOPCTFT-PKOBYXMFSA-N 333.391 2.620 0 50 EFAA COc1ccc(-c2nccn2Cc2ccco2)cc1Cn1cncn1 67741535 RVTQXOWHXCEJGB-UHFFFAOYSA-N 335.367 2.840 0 50 EFAA NC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 229158608 IYKDMGUJQPBCGC-JHJVBQTASA-N 328.334 2.698 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2ccnc2)C1 229547647 IRJBCBBUDSPLPU-MOPGFXCFSA-N 338.455 2.711 0 50 EFAA Cc1nc(N2CCC[C@H]2C(N)=O)c2c3c(sc2n1)C[C@H](C)CC3 229579602 LGOLDDDZLBZCIA-SKDRFNHKSA-N 330.457 2.579 0 50 EFAA CCOC(=O)CN1CCN(Cc2c(Cl)cccc2Cl)CC1 20167641 CCOVTBJKGYZJME-UHFFFAOYSA-N 331.243 2.674 0 50 EFAA COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2c(F)cccc2F)cc1 4109929 SMXRUROVNPMIOW-KRWDZBQOSA-N 349.333 2.894 0 50 EFAA COCc1ccc(C(=O)N(CCO)Cc2sccc2C)s1 215096094 GTBFVYKTWVQQKG-UHFFFAOYSA-N 325.455 2.899 0 50 EFAA Cc1ccc2ncccc2c1CN1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72161957 GMNXGUWIRAYSQA-QUCCMNQESA-N 339.439 2.572 0 50 EFAA O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCc3ccncc32)C1 253428153 ILJHKAXLHNTLKB-QGZVFWFLSA-N 335.407 2.523 0 50 EFAA Cc1ccc2cc(C(=O)N[C@@](C)(C(N)=O)c3ccccc3)ccc2n1 151789437 XBKQKFVSOVBHAG-HXUWFJFHSA-N 333.391 2.674 0 50 EFAA CCCN1C[C@@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)CC1=O 77343561 GBCQXAUSNYCVSJ-HNNXBMFYSA-N 339.439 2.901 0 50 EFAA COCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77300417 BEYHXNNZPJNAJG-HXUWFJFHSA-N 330.472 2.580 0 50 EFAA Nc1ncnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)c1Cl 365464443 NQODCASYRXHRED-HNNXBMFYSA-N 339.226 2.550 0 50 EFAA CN(Cc1c(Cl)cccc1Cl)C(=O)C1(CO)CCOCC1 457430770 XQLSVHGJJILYSS-UHFFFAOYSA-N 332.227 2.741 0 50 EFAA CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 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346.402 2.614 0 50 EFAA Cc1ccc(C)c(OCCCCC(=O)N2CCO[C@@H](CC(=O)O)C2)c1 262710923 FJZDLOXZQJULLE-INIZCTEOSA-N 349.427 2.555 0 50 EFAA CCCn1ccnc1-c1nccn1Cc1ccccc1-n1cncn1 71748125 UYVWAAOICDCXTJ-UHFFFAOYSA-N 333.399 2.786 0 50 EFAA O=C(Nc1ccncc1)c1cccc(NC(=O)C2(O)CCCCC2)c1 127738903 KPVQAMRIUQMEFF-UHFFFAOYSA-N 339.395 2.968 0 50 EFAA COc1cccc2c(C(=O)N3CCC[C@@H]3c3cn(C)nc3C)n[nH]c12 377430628 IJTAJPXUVVUUFO-CQSZACIVSA-N 339.399 2.591 0 50 EFAA COc1cccc(CN2CCC[C@H](Nc3nccc(OC)n3)C2)c1 72429611 LCSFYIVXAAWGGH-HNNXBMFYSA-N 328.416 2.570 0 50 EFAA COC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)C1 496043216 OFDNNSYZVRWOLT-HIFRSBDPSA-N 340.464 2.565 0 50 EFAA CCNC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71764977 OUCQZIDRROQPEP-INIZCTEOSA-N 335.423 2.614 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cc(Cl)c[nH]1 284517897 FFLUACKGXYVYMU-BLLLJJGKSA-N 349.866 2.557 0 50 EFAA Cc1ccc2nc(CN[C@@H](c3nccn3C)C3CCOCC3)cn2c1 284662999 HCBWHDPBAAWLNZ-GOSISDBHSA-N 339.443 2.634 0 50 EFAA Cc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)ccc2[nH]1 40267995 QEYPHKAFLXDJFL-ZDUSSCGKSA-N 334.379 2.863 0 50 EFAA C[C@@H](CNC(=O)NC[C@@H]1CCCOC1)Oc1ccc(Cl)cc1 175748271 ZIQVUXMFOKTKFX-STQMWFEESA-N 326.824 2.833 0 50 EFAA O=C(NCCc1ccncc1)N1CCOC[C@H]1c1ccc(F)cc1 458565770 UMYIPBBGEJTHEQ-KRWDZBQOSA-N 329.375 2.546 0 50 EFAA C[C@@H]([C@@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O 43135888 NEYMFDJFZULCQI-GTNSWQLSSA-N 326.327 2.937 0 50 EFAA CCc1nccn1CCC(=O)N1CCCC[C@@H]1CCc1nccn1C 82150009 UZRQTRKNNKKYOZ-MRXNPFEDSA-N 343.475 2.583 0 50 EFAA OC[C@@]1(Cc2ccc(F)cc2)CCN(c2ncnc3[nH]ccc23)C1 288824775 HRZVWEYYVFHUDQ-GOSISDBHSA-N 326.375 2.529 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)s1 177951497 MNKJJWPICPEOKK-OLZOCXBDSA-N 347.440 2.917 0 50 EFAA CCc1noc([C@H](C)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 229395854 NAROBLWFHNDCNI-SMDDNHRTSA-N 347.394 2.728 0 50 EFAA COc1ccc2ccccc2c1CN1CCN(c2ncccn2)CC1 19849830 ICINJQXPBRFJDN-UHFFFAOYSA-N 334.423 2.961 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)CN(C)C(=O)O2 91460512 GCKVBDMMOIYRIT-UHFFFAOYSA-N 337.445 2.632 0 50 EFAA CC[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)N1CCCC1 91847977 ZNURNFGUTYQZOW-GOSISDBHSA-N 326.444 2.705 0 50 EFAA O=C(NC1(C(=O)O)CCCC1)c1cccc(OCc2cccnc2)c1 237985151 GJRNEATUFBMURS-UHFFFAOYSA-N 340.379 2.788 0 50 EFAA COc1ccc(-c2ccc(C(=O)N(C)CCC(N)=O)cc2)c(C)c1 426597285 UMEBTHDJNXSXKW-UHFFFAOYSA-N 326.396 2.618 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1ccncc1C)C2 92020355 XQUBSHDJSJFKJL-MRXNPFEDSA-N 326.396 2.608 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(C(C)C)C3)c2c1 95527952 YHDFMEMEAUUPNU-MRXNPFEDSA-N 343.471 2.956 0 50 EFAA CN(Cc1ccccn1)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 294512661 PUZLIGJWAIQVCP-UHFFFAOYSA-N 326.400 2.733 0 50 EFAA CC(C)(O)[C@@H]1CCCN(c2ncnc3c2Cc2ccccc2OC3)C1 97713529 VGGOBEFFVNPDFA-OAHLLOKOSA-N 339.439 2.947 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cccc3ccccc13)C2 91650792 UETWAQNOYIJODR-GOEBONIOSA-N 330.453 2.555 0 50 EFAA CC1CC(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)(c2cccc(Cl)c2)C1 296451881 XBZBYYUZHMRNDS-AWHIABRSSA-N 334.847 2.791 0 50 EFAA O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CC[C@@H](O)CC1 244734373 NEGBRPZGNQNCNG-GRDNDAEWSA-N 336.863 2.834 0 50 EFAA CN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1Cc2ccccc2O1 252507765 WTPGAKKLCDWLCF-AWEZNQCLSA-N 331.803 2.609 0 50 EFAA CCn1nnc(C)c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 298905151 CCGUBCSWPAFZMJ-CQSZACIVSA-N 344.415 2.807 0 50 EFAA Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(C(=O)O)nc2)cc1 299753352 XYBDGGOXYXWBPL-DOTOQJQBSA-N 340.379 2.738 0 50 EFAA Cc1ccc(N2CCCN(C(=O)c3cc(F)cc(Cl)c3)CC2)nn1 268200014 TYUOLCHRVQEYQZ-UHFFFAOYSA-N 348.809 2.930 0 50 EFAA O=C(NCc1ccc2c(c1)CCO2)c1ccc(CN2CCCC2)o1 828166303 ACBGUFZBPOFCAF-UHFFFAOYSA-N 326.396 2.740 0 50 EFAA Cc1cc(C)nc(CCNC(=O)CCn2c(C)nc3ccccc32)n1 827823030 HRDIJHKRJGRHKI-UHFFFAOYSA-N 337.427 2.501 0 50 EFAA CN1C(=O)C[C@@H](C(=O)NCCc2nc3ccccc3o2)c2ccccc21 584898955 GAGJABYHSCOGSS-CQSZACIVSA-N 349.390 2.637 0 50 EFAA Cc1nn(CCC(=O)NCc2nncn2C2CCCCC2)c(C)c1C 670467391 KLMDMJXRABIACC-UHFFFAOYSA-N 344.463 2.612 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2oc(C)nc2C)n1 670452196 ZJOJZXAJJMIMHA-QMMMGPOBSA-N 344.337 2.881 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1ccc2c(c1)ncn2C 952983683 QHUJXBAFGYVHPQ-UHFFFAOYSA-N 336.395 2.504 0 50 EFAA FC(F)(F)Cn1nc(COc2ccccc2)nc1[C@H]1CCCNC1 952962265 BOHWGQQCFQTWAZ-LBPRGKRZSA-N 340.349 2.886 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1cccc2c1CCC2=O 952967950 CYHCGFOCVPYDOP-UHFFFAOYSA-N 336.391 2.746 0 50 EFAA Cc1cc(Br)oc1C(=O)NC1CCC(C(=O)O)CC1 268921421 BGQJVPVFIOVQKF-UHFFFAOYSA-N 330.178 2.724 0 50 EFAA COc1ccc(CN(C)C(=O)Cn2nc(C)cc2N)c2ccccc12 952973154 RKBYEXFUEWRAKJ-UHFFFAOYSA-N 338.411 2.594 0 50 EFAA Cc1ncccc1C(=O)NCC1CCN(c2ncccc2F)CC1 952989121 QAFUUNFOVDSRMG-UHFFFAOYSA-N 328.391 2.571 0 50 EFAA C/C(=C\C(=O)N1CCO[C@H](c2noc(C)n2)C1)c1ccc(F)cc1 222227370 FUIRGPGDFOLPSN-GDXASINISA-N 331.347 2.521 0 50 EFAA O=C1C(=O)N(Cc2ncc(C3CC3)o2)C(=O)N1CCC1=CCCCC1 270493661 SCLLCFSDFBBFOW-UHFFFAOYSA-N 343.383 2.733 0 50 EFAA Cn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c([C@H]2CCOC2)n1 275343530 SYKZQUJHTUFQMB-WMLDXEAASA-N 325.412 2.731 0 50 EFAA COc1ccnc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c1 170596554 AMRGLEIGCKWOMY-AWEZNQCLSA-N 343.402 2.576 0 50 EFAA CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)s2)s1 279547402 XCRGKIFNNGCHKQ-UHFFFAOYSA-N 329.468 2.842 0 50 EFAA C[C@H](C(=O)N1CCC(Oc2ccccc2F)CC1)c1cncnc1 633934433 JMMUZJWZZGPRBL-ZDUSSCGKSA-N 329.375 2.789 0 50 EFAA CCOc1ccc(CC(=O)N2CCC[C@@H](c3nnc(C)o3)C2)cc1 652589625 AZZUQDHQYNFYEP-OAHLLOKOSA-N 329.400 2.725 0 50 EFAA Cc1cccn2ncc(C(=O)NCC[C@H]3COc4ccccc4O3)c12 1155637023 SXTQIKKSBQNVJN-AWEZNQCLSA-N 337.379 2.603 0 50 EFAA Cc1n[nH]cc1CN(C)C(=O)c1ccc(NCc2ccncc2)cc1 1506419567 FUOZKOSRPCRXPO-UHFFFAOYSA-N 335.411 2.997 0 50 EFAA COc1cccc(OC)c1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529197924 YZYHMOHWIJBLJR-WOJBJXKFSA-N 343.423 2.638 0 50 EFAA CCCC[C@@H]1CN(c2cccc(C(=O)N(C)C)n2)C[C@H](C2CC2)O1 1529181347 ROHMUKYIFHIGHI-NVXWUHKLSA-N 331.460 2.957 0 50 EFAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 11758997 STITXWYXDQLMQH-CYBMUJFWSA-N 337.366 2.813 0 50 EFAA Cc1ccccc1Cn1cc(C(=O)NCCc2ccc(F)cc2)nn1 12300300 RKPLNMIAFVAHKG-UHFFFAOYSA-N 338.386 2.746 0 50 EFAA O=C(CCn1cccn1)N1CCO[C@@H](CCCc2ccccc2)C1 12475341 HAGZSQXSCVWZTN-SFHVURJKSA-N 327.428 2.524 0 50 EFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19791742 BZPQIBLRPSZJIK-AWEZNQCLSA-N 345.351 2.948 0 50 EFAA O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772854 BZCPXTRMAUGLRX-LLVKDONJSA-N 338.342 2.694 0 50 EFAA NC(=O)c1cc(N2CCc3[nH]nc(C4CC4)c3CC2)nc2ccccc12 1857673506 KAIQXVAJSIMRKU-UHFFFAOYSA-N 347.422 2.539 0 50 EFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCc3cccnc3)CC2)O1 1857674059 PKSWUWXBDZEEAC-QZTJIDSGSA-N 346.471 2.571 0 50 EFAA COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc3ccnn23)C1 1857682983 NVKJKCKMZQINSR-FQEVSTJZSA-N 335.407 2.651 0 50 EFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857695240 AQIHYXVYUCZROE-ZIAGYGMSSA-N 336.432 2.544 0 50 EFAA CCN1CCC[C@@H]1CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1875247079 XGDVDLJGNJMZCD-GOSISDBHSA-N 338.499 2.972 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2nncn2C(C)C)CC1 408387228 QXZIYZNDBHXCHR-JKSUJKDBSA-N 334.464 2.770 0 50 EFAA COC(=O)c1ccccc1N(C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 2885139 DRFKUSDVSMOYBR-RBUKOAKNSA-N 345.395 2.558 0 50 EFAA CCc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)sc1C 237119758 BLUNEVOQALFRMY-UHFFFAOYSA-N 325.430 2.715 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@H]2CCN(c3ccccc3)[C@H]2C)n1 252506088 VXXNWJUTFLKMAE-WFASDCNBSA-N 328.416 2.823 0 50 EFAA S=c1n(CN2CCOCC2)nc(-c2ccco2)n1-c1ccccc1 20082521 RWVZWCQJSNSWRE-UHFFFAOYSA-N 342.424 2.953 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2c1CCC2 363659195 HINZAXMBCGGCHL-LBPRGKRZSA-N 344.846 2.808 0 50 EFAA Fc1ccc(-c2nc(CN3CCNCCC34CCOCC4)co2)cc1 903813923 CQBFIJTWLAJCMS-UHFFFAOYSA-N 345.418 2.825 0 50 EFAA Cc1cc(=O)c(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)c[nH]1 904297220 JECKRFODGGUVOH-INIZCTEOSA-N 336.313 2.817 0 50 EFAA CCn1nc(C)c(NC(=O)N2Cc3ccccc3NC(=O)[C@H]2C)c1C 930669173 BKMOQFZWVVYXKZ-CYBMUJFWSA-N 341.415 2.895 0 50 EFAA CCc1nc([C@@H]2CCCCN2C(=O)c2cc(C)c(CC)nc2O)no1 933229922 CAZOCRODSLSMAU-AWEZNQCLSA-N 344.415 2.971 0 50 EFAA C[C@@H](NC(=O)c1cc(O)nn1C)c1ccc(Oc2cccnc2)cc1 1875318266 MFPDWKAPLVUVBK-GFCCVEGCSA-N 338.367 2.804 0 50 EFAA COC(=O)[C@H](NC(=O)c1cc2cccc(C)c2[nH]1)[C@H]1C[C@@H]2C[C@@H]2C1 1875344576 MBCGQCXNBMOHHZ-UMPJEAMMSA-N 326.396 2.794 0 50 EFAA C[C@@H]1c2ccccc2NC(=O)CN1C(=O)c1cccc(CN(C)C)c1 1875359608 KSIFAKOAYPASSL-CQSZACIVSA-N 337.423 2.904 0 50 EFAA C[C@@H](c1cccc(Cl)c1F)n1cc(C2(O)CCOCC2)nn1 881369103 DVXPTOPPRCGAGO-JTQLQIEISA-N 325.771 2.678 0 50 EFAA Cc1nc(C(C)C)oc1C(=O)NCCn1cc(-c2ccccc2)nn1 1181348012 CQVXTHHFGGGXIO-UHFFFAOYSA-N 339.399 2.795 0 50 EFAA CC(C)c1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ncn1 390909865 VOEHKVGSKFWELE-SFHVURJKSA-N 340.471 3.303 0 50 EFAA CC[C@H](O)CCNC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 925279643 BANYFTFJQDJGFD-HNNXBMFYSA-N 326.481 2.917 0 50 EFAA N[C@H]1CCc2ccccc2N(Cc2csc(-c3ncccn3)n2)C1 2325756578 TWQJZLVORMMLMI-AWEZNQCLSA-N 337.452 2.880 0 50 EFAA Fc1cccc(N2CCN(c3nc(Br)cs3)CC2)n1 2325767384 SUOAMIVZFMSFJW-UHFFFAOYSA-N 343.225 2.766 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCc3ccccc3C2)c1 2325783813 CWWDBQGOARGOAN-CYBMUJFWSA-N 340.398 2.850 0 50 EFAA COc1ccccc1NC(=O)[C@@H]1CC(=O)n2c(nc3ccccc32)N1 529010 GYPOQVLMUYHGPZ-ZDUSSCGKSA-N 336.351 2.508 0 50 EFAA CC(=O)CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 1394900 SCDPWLDOAGNOCE-UHFFFAOYSA-N 328.315 2.932 0 50 EFAA COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 2615825 YYQHFHDOFBXRAH-UHFFFAOYSA-N 341.392 2.663 0 50 EFAA O=C(c1ccccc1C(F)(F)F)N1CCC[C@@]12CCCNC2=O 2356136379 RWFFHYRAZCCATI-OAHLLOKOSA-N 326.318 2.590 0 50 EFAA CC(C)CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 4561228 VKAAWPUTJURXJP-UHFFFAOYSA-N 329.488 2.703 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)c2cccnc2Cl)n1 2764187 GOBFUIWHQFZYBN-UHFFFAOYSA-N 325.777 2.549 0 50 EFAA O=C(CN1C(=O)COc2ccccc21)Nc1nc2ccccc2s1 7767614 MHUKQMWLZWEZDU-UHFFFAOYSA-N 339.376 2.660 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(-n4ccnc4)cc3C)[C@@H]2C1 225399735 AHJNUOJXALZZPR-VAMGGRTRSA-N 341.455 2.949 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CCO2)cn1 225323172 DNPDESWSIOTWMU-KONPQCLYSA-N 331.460 2.927 0 50 EFAA NC(=O)COc1ccccc1C(=O)N1CCC[C@]2(CC=CCC2)C1 114439092 QPZRPVRJJLFYEF-LJQANCHMSA-N 328.412 2.513 0 50 EFAA CC[C@H](CO)N(CCn1c(=O)oc2ccccc21)Cc1ccsc1 55282899 JXZIZAHXRVYDLJ-OAHLLOKOSA-N 346.452 2.929 0 50 EFAA COc1cc(CN2CCN(CC3CCC3)CC2)cc(OC)c1OC 23095257 WMYTYIHLWFNUOT-UHFFFAOYSA-N 334.460 2.630 0 50 EFAA CCc1n[nH]c(SCC(=O)N[C@H](c2ccccc2)c2ccco2)n1 55575639 WRHQEERSVKWCCQ-MRXNPFEDSA-N 342.424 2.958 0 50 EFAA CC1(C)Cc2cc(CN3Cc4ccccc4C[C@H]3C(N)=O)ccc2O1 119788317 CZLRUYLZTGPJCX-SFHVURJKSA-N 336.435 2.812 0 50 EFAA NC(=O)CCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67954239 ORYZLZPWERLNTO-UHFFFAOYSA-N 346.814 2.782 0 50 EFAA CCOc1c(CNCCCN2CCOCC2)cc(Cl)cc1OC 20477821 KYUPECHRABUZJN-UHFFFAOYSA-N 342.867 2.559 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 219965079 VHJVZFVJQIYFJD-GFCCVEGCSA-N 343.406 2.942 0 50 EFAA Cc1ccncc1C(=O)N1CCN(c2cncc3ccccc23)CC1 356987558 RLRVWOMXVLFNPX-UHFFFAOYSA-N 332.407 2.901 0 50 EFAA CC(C)CCN1CC2(CCN([C@@H](C)CCN(C)C)CC2)OC1=O 72480511 KZSSXFJGUASKAW-INIZCTEOSA-N 325.497 2.660 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65404827 FFUABAZRGDVCCE-FQEVSTJZSA-N 336.391 2.846 0 50 EFAA CCc1nccn1Cc1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 67675613 QTJONPJMYHAFLW-GOSISDBHSA-N 342.374 2.722 0 50 EFAA C[C@H]1CN(C)CCN1C[C@@H](O)c1ccc(OCc2ccccc2)cc1 229806696 FLJNJVLFPBJNTG-LAUBAEHRSA-N 340.467 2.935 0 50 EFAA CC(C)C[C@@H]1CCCCCN1CC(=O)N1CCC2(CC1)OCCO2 120734945 WRRYNJZTBBPTQR-KRWDZBQOSA-N 338.492 2.643 0 50 EFAA CCOC(=O)CN(C(=O)c1ccc(F)cc1C)c1ccc(F)cn1 124724174 VRBXNSHWDUOZMZ-UHFFFAOYSA-N 334.322 2.878 0 50 EFAA CN1C(=O)[C@](CC(=O)NCCF)(Cc2ccccc2)c2ccccc21 71761993 FOBKAQRHKROMPZ-FQEVSTJZSA-N 340.398 2.619 0 50 EFAA Cc1cc(C)cc(NC(=O)NCCc2nnc(S)n2C2CC2)c1 152941502 YTFLVGUCNQNQNM-UHFFFAOYSA-N 331.445 2.883 0 50 EFAA Nc1ccc(N[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)CC2)cn1 328644068 RPTZKTXQTILETO-INIZCTEOSA-N 342.418 2.839 0 50 EFAA Cc1cccc(-c2nnc(S)n2CC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 153692962 QEWMAIGEZRRBCP-HUUCEWRRSA-N 342.468 2.801 0 50 EFAA O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC(Cc2ccccc2)CC1 363935991 DFQBSBBCGBIADP-SFHVURJKSA-N 338.455 2.931 0 50 EFAA COc1cc(OC)cc(C(=O)NCC[C@@H]2COc3ccccc3O2)c1 215546254 NIIOOJNIIMODRB-CQSZACIVSA-N 343.379 2.664 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1COCC[C@@H]1OCC1CC1 219695276 BITUQGIPNFMAMG-CVEARBPZSA-N 341.810 2.722 0 50 EFAA Cc1ccnn1CCN1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 77377262 MYERKZMUABYWOJ-HXUWFJFHSA-N 344.503 2.839 0 50 EFAA CC(C)n1ccc(N[C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)n1 367366953 FOGFJBYAZCNRGQ-QZTJIDSGSA-N 338.455 3.554 0 50 EFAA CCn1nc(C)c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1C 39531614 PKDNAMIDJPWLIP-LJQANCHMSA-N 348.535 2.721 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC[C@@H]2Cn2ccnc2C)n1 368319956 VWALDRKIBYRWOJ-GFCCVEGCSA-N 325.338 2.978 0 50 EFAA COc1cccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)c1OC 284507144 CZQOYVUWGSSKGP-GVDBMIGSSA-N 335.444 2.720 0 50 EFAA Cc1cc(NC2CCN(C[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72407461 QTSPFTHMGGJJQP-KRWDZBQOSA-N 343.475 2.710 0 50 EFAA Cc1cccc2cc(CN3CCO[C@H](C(F)(F)F)C3)c(=O)[nH]c12 71403945 YOAXIOLBTWOLQS-ZDUSSCGKSA-N 326.318 2.600 0 50 EFAA O=C(CCCc1nc(O)c2ccccc2n1)N[C@@H]1[C@H]2CCCC[C@H]21 241157242 JWAVHRMVLZZWJS-MCBXIFIFSA-N 325.412 2.963 0 50 EFAA Cc1cccc2nc(C(=O)NCCc3nc4ccccc4[nH]3)c(F)n12 215430673 SUGKZBYZAABJIY-UHFFFAOYSA-N 337.358 2.631 0 50 EFAA CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](OC)CC1 378636221 WPDOAJZFOSNCER-MSOLQXFVSA-N 346.471 2.542 0 50 EFAA Cc1cccc2oc(CCN[C@H](C(N)=O)c3ccc(F)cc3)nc12 242339264 ZGJNGYAUIHNWTL-KRWDZBQOSA-N 327.359 2.634 0 50 EFAA O=C(O)c1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccn1 238157391 INRSBUWUVLHJNE-UHFFFAOYSA-N 328.343 2.971 0 50 EFAA Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 159400081 PZHDPENWYMAIQK-LLVKDONJSA-N 331.846 2.722 0 50 EFAA O=C(Cc1cccnc1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 82139213 YAOHWQNATAEHGN-INIZCTEOSA-N 334.423 2.982 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)CCN1Cc2ccccc2C1=O 223174615 BNQYFUSNBGGRQZ-UHFFFAOYSA-N 339.395 2.557 0 50 EFAA CCC1(c2ccccc2)CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 458233008 SHRLPVRHSLETSQ-INIZCTEOSA-N 340.467 2.968 0 50 EFAA CC(=O)N1CC[C@@H](C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)C1 176542392 SSVKDTYTTYQDJU-MRXNPFEDSA-N 346.471 2.941 0 50 EFAA CSc1ccccc1C(=O)N1CCCC[C@H]1CN1CCOCC1 82138308 UXRDTPVCNRCBRR-HNNXBMFYSA-N 334.485 2.735 0 50 EFAA COc1cccc(OCCCN(C)c2cc([C@@H]3CCOC3)ncn2)c1 426438542 FYKXQWMUCCNUIA-OAHLLOKOSA-N 343.427 2.894 0 50 EFAA COc1cccc(C2(c3noc(-c4ccn(C)c(=O)c4)n3)CCC2)c1 289081477 JMJORWKCPPRXQJ-UHFFFAOYSA-N 337.379 2.914 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cn1ccccc1=O 426534034 JMUQJEZJHLIFRH-HNNXBMFYSA-N 326.396 2.575 0 50 EFAA C[C@@H](NCCN1CCOC(C)(C)C1)c1cnn(Cc2ccccc2)c1 178764594 FDLQGQOQEFDUHZ-QGZVFWFLSA-N 342.487 2.693 0 50 EFAA O=C(CCc1ccncc1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 220479420 CRYKKJAZXKYURG-MSOLQXFVSA-N 344.386 2.506 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)N1CC[C@@H](Cc2cccc(CO)c2)C1 91486061 WDWFBFLUAZXUHV-INIZCTEOSA-N 349.434 2.689 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)oc2c1 92077787 ITDBNSKSRJUGQD-RDJZCZTQSA-N 346.427 2.587 0 50 EFAA COCCn1cncc1CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95366153 MYFGUUKUGCZOIL-KRWDZBQOSA-N 343.427 2.607 0 50 EFAA OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1 91997885 DVQYCBABEFPNCS-UHFFFAOYSA-N 349.369 2.811 0 50 EFAA NC[C@H]1CCCN1C(=O)/C=C/c1cc(Br)ccc1F 238045382 PPHZTFBZQUWVEV-MJRJWQSSSA-N 327.197 2.551 0 50 EFAA O=C(NC[C@@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1 96151143 DPDSVUFNTNZHHM-MRXNPFEDSA-N 328.456 2.763 0 50 EFAA COc1cc(C)cc(OC)c1[C@@H](C(=O)O)N(C)Cc1cc(C)no1 95377358 SAEDKARZTIPOCW-INIZCTEOSA-N 334.372 2.566 0 50 EFAA CCn1c(C)cc(C(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)c1C 91444907 CIZRCRAMZFCXLL-HXUWFJFHSA-N 345.487 2.988 0 50 EFAA CCNC(=O)c1ccc(C[C@H]2COc3cc(OC)ccc3C2)nc1 91724385 GMDAMFCUOOAEOK-ZDUSSCGKSA-N 326.396 2.634 0 50 EFAA CSC[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 97099266 FWWKCTPBVFHTAS-CYBMUJFWSA-N 328.441 2.754 0 50 EFAA CC(C)(C)c1nc2cc(NC(=O)N3C[C@H]4C[C@H]3C(=O)O4)ccc2o1 296595669 JAILVCFYECADMJ-PWSUYJOCSA-N 329.356 2.657 0 50 EFAA COCc1n[nH]c(-c2ccc(NC(=O)Cn3c(C)ccc3C)cc2)n1 253414215 WUMOWQDWYBQDEQ-UHFFFAOYSA-N 339.399 2.675 0 50 EFAA Cn1nc(C2CCCC2)cc1NC(=O)c1n[nH]c2ccccc2c1=O 184032923 HMOZERGTTLLZFF-UHFFFAOYSA-N 337.383 2.567 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 299742830 KTOKIUHZWUZVRD-YUSALJHKSA-N 327.302 2.742 0 50 EFAA Cc1nnc(CN(CCOc2ccccc2)C[C@H]2CCCO2)s1 299802803 QBJPFMKTANIMIX-MRXNPFEDSA-N 333.457 2.907 0 50 EFAA COc1ccc(CC(=O)N2CC[C@H](Oc3ccccc3)C2)c(OC)c1 299755530 BBCDOKLIJAGJDY-SFHVURJKSA-N 341.407 2.926 0 50 EFAA Cc1csc([C@H](C)CNC(=O)c2cc(-c3ccncc3)[nH]n2)n1 584888194 QGSOXAAOMSWEDE-SNVBAGLBSA-N 327.413 2.770 0 50 EFAA CNC(=O)[C@]1(C)CCCN(C(=O)C2(N3CCCCC3)CCCCC2)C1 952962984 DPLVLGXXCSXVKO-LJQANCHMSA-N 349.519 2.550 0 50 EFAA Cc1ccc(-c2cc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)[nH]n2)o1 278929798 WBHGMKNNNJCUMF-MRXNPFEDSA-N 330.388 2.564 0 50 EFAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCCC[C@H]1C1OCCO1 170625341 SRLBIQSSHYWHAW-CVEARBPZSA-N 346.427 2.674 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC[C@H](Cc3nccn3C)C2)cc1 170604506 SPUGXXRPTQRDEY-OAHLLOKOSA-N 347.484 2.673 0 50 EFAA CC(C)=C[C@H]1[C@H](C(=O)NCCn2c(S)nnc2C2CC2)C1(C)C 170641360 UQMDLPCDYBYVCL-QWHCGFSZSA-N 334.489 2.799 0 50 EFAA CCCn1nccc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 193662820 FXFPEBCWLPTUTE-QGZVFWFLSA-N 341.459 2.937 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 194691389 KDDGKHLNAIWWQK-IRXDYDNUSA-N 329.444 2.921 0 50 EFAA Cc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)s1 1616078738 LXVJAQINRCZDPZ-IRXDYDNUSA-N 342.464 2.954 0 50 EFAA Cc1cc2nc(C(=O)Nc3nnc(SC(C)C)s3)cc(C)n2n1 1506429646 WEZTYMIRWSOCKE-UHFFFAOYSA-N 348.457 2.950 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)CN(C)Cc1ccncc1 1529162120 WKSSUPCGHYDTLD-UHFFFAOYSA-N 327.432 2.772 0 50 EFAA COc1ccc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)cc1Cl 1529154264 IMCUFYAAGLHKHU-CJNGLKHVSA-N 336.819 2.680 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3c(Cl)ccc(C)c3F)C[C@@H]2O)n[nH]1 1529144189 RBMRYOJDBSTKPM-WBMJQRKESA-N 337.826 2.854 0 50 EFAA Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)cc1C 1704301288 TWQIVMMRTZNFNM-IBGZPJMESA-N 347.455 2.605 0 50 EFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(F)c(Br)c1 226193502 IHLJZJINQLJVQV-NOZJJQNGSA-N 329.213 2.930 0 50 EFAA CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 5206927 ACQDHKRWTAEZMY-UHFFFAOYSA-N 348.472 2.556 0 50 EFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1F 5388251 IWASKJKLULZXOQ-UHFFFAOYSA-N 341.317 2.827 0 50 EFAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CCCC2)no1 12075867 OIVOVFBUEIRDFU-UHFFFAOYSA-N 344.367 2.701 0 50 EFAA O=C(NCc1cccc2[nH]ccc12)c1cn(Cc2ccccc2F)nn1 12112089 GAUHMQNGDHUKMY-UHFFFAOYSA-N 349.369 2.877 0 50 EFAA CC[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1OC 16577959 DIJRSLIHPXPBGW-CYBMUJFWSA-N 327.446 2.965 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1cc(F)c(Cl)cc1Cl)C2 1857669514 FZGGCQWAICFGGZ-XHDPSFHLSA-N 334.218 2.963 0 50 EFAA Fc1ccc(OC[C@@H]2CCCN(c3ncc4cn[nH]c4n3)C2)cc1 1857708362 PVRGLGHGAWSFRO-GFCCVEGCSA-N 327.363 2.787 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@H]1O 1857713881 VPSHPANPZFHCRK-AZUAARDMSA-N 344.455 2.770 0 50 EFAA CCc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)n(C)n1 635084921 GJIYVSBGUMWQJL-UHFFFAOYSA-N 332.835 2.598 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2nnc3n2CCCC3)C[C@H](C(C)C)O1 1875249559 AZGFBRYDMJWDHC-HUUCEWRRSA-N 334.464 2.670 0 50 EFAA O=C(CCn1cnc2ccccc21)Nc1ccnn1Cc1cccnc1 1875250370 SJQNJEJZTPQHCR-UHFFFAOYSA-N 346.394 2.705 0 50 EFAA COc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1 4282094 PKZCKZFTUXGANS-UHFFFAOYSA-N 326.304 2.769 0 50 EFAA CSc1nc(O)nc(C)c1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 333572414 YIGROQMAXQYSOJ-DRAKQNMHSA-N 333.457 2.721 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@H](C)[C@@H]3CN)c2)cc1 237447661 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Oc1ncccc1-c1noc([C@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 874434954 HWUPHZUMFAMWQV-STQMWFEESA-N 337.335 2.880 0 50 EFAA Cc1cccnc1[C@H]1CCC[C@@H](NCc2cnn3c2CN(C)CC3)C1 952890146 VDEMNQQKEURSMT-FUHWJXTLSA-N 339.487 2.848 0 50 EFAA Cc1nscc1CNC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 1875284781 MCIMIZYWHBROIV-ZDUSSCGKSA-N 340.832 2.699 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1Nc1cc(-c2ccccn2)nc(C)n1 1875272122 JVPJHZBTFZPUPU-MRXNPFEDSA-N 325.416 2.564 0 50 EFAA C[C@H](OC(=O)[C@@H]1CC(=O)Nc2ncccc21)c1nc2ccccc2[nH]1 1875344828 PGXBUIOKTHBCQH-CMPLNLGQSA-N 336.351 2.688 0 50 EFAA COc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)ncc1F 1875356166 HYULHJDMZHDTQA-UHFFFAOYSA-N 341.346 2.679 0 50 EFAA O=C(c1cc(=O)cc[nH]1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1 1775987921 FWNGOBOWPHPVFD-HNNXBMFYSA-N 348.406 2.785 0 50 EFAA Cn1nc(-c2nnc(COC3CCCCC3)o2)c2ccccc2c1=O 1322771999 RPSCLEMAMVXMHA-UHFFFAOYSA-N 340.383 2.833 0 50 EFAA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(F)cc1 304735 CSLJQYQHXCSOAP-UHFFFAOYSA-N 331.343 2.501 0 50 EFAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)c2cc(O)ccc2n1C 2100541234 XMJBHSIUTHWKOC-ZSOGYDGISA-N 328.412 2.568 0 50 EFAA C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc2c(nn1)CCCC2 2325792529 NQUOPEOPSVFBGA-BTDLBPIBSA-N 327.359 2.747 0 50 EFAA C[C@@H]1CCn2c(C(=O)N3C[C@H](CCN)Cc4ccccc43)cnc2C1 2325798799 BBOYBYXHAVXWSA-HUUCEWRRSA-N 338.455 2.633 0 50 EFAA CNC(=O)Cc1cccc(NC(=O)CCN2[C@@H](C)CCC[C@H]2C)c1 2325804654 BZLVTQZWZGFBSM-GASCZTMLSA-N 331.460 2.567 0 50 EFAA COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(F)(F)F)cc1 2575195 JNLLBMUHOJPZON-NSHDSACASA-N 335.347 2.730 0 50 EFAA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(F)cc2)CC1 4841886 BXZAEHLQUWUIHT-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1 6741957 YOFPRBAKQVRZJO-TUHYSUIHSA-N 330.384 2.721 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c(OC)c1 8217415 HLKYDXHNGBSYEC-ZDUSSCGKSA-N 346.427 2.506 0 50 EFAA O=c1c2ccoc2ccn1C[C@@H]1CN(Cc2ccccc2)CCCO1 225827827 LBEAAAVUGDHWEH-KRWDZBQOSA-N 338.407 2.886 0 50 EFAA O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1 9341262 XNXMAVKEMITWNS-UHFFFAOYSA-N 340.398 2.994 0 50 EFAA CC(C)Cc1noc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)n1 118607431 BGUSZBDVAABGTO-ZDUSSCGKSA-N 345.374 2.525 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CC/C=C/c2ccccc2)C1 345486935 RAIJVELSADNGIL-OGNIYVCYSA-N 340.427 2.895 0 50 EFAA FC(F)(F)Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1 23280484 MSAXWRBLEWJPAF-UHFFFAOYSA-N 338.333 2.697 0 50 EFAA C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]cc1-c1cnn(C)c1 352216053 CXODLPIRNKZEIH-RNCFNFMXSA-N 326.322 2.828 0 50 EFAA CS(=O)(=O)c1ccc(-c2nccn2-c2ccc3cn[nH]c3c2)cc1 67641746 BIBHPFHOJYDDED-UHFFFAOYSA-N 338.392 2.819 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1Cc1ccccc1 20856317 YJLPNGOFJIDISZ-MRXNPFEDSA-N 346.789 2.662 0 50 EFAA COc1ccc(C(C)=O)cc1CN1CCCN(C[C@H]2CCCO2)CC1 252463405 LEQTWWKYSIHOIP-LJQANCHMSA-N 346.471 2.585 0 50 EFAA Cc1ccc(C)c(NC(=O)CCNC(=O)c2cc(C3CC3)n[nH]2)c1 67817667 SJMVPNDCWAZUEZ-UHFFFAOYSA-N 326.400 2.663 0 50 EFAA CCC(=O)Nc1cccc(OCC(=O)N(C)CCC[C@@H]2CCCO2)c1 65525785 SJGYHDURSUBCJW-MRXNPFEDSA-N 348.443 2.832 0 50 EFAA CCCc1nc2cccnc2n1C1CCN(Cc2cnn(C)c2)CC1 11789333 ZXKRXZUDFONHIY-UHFFFAOYSA-N 338.459 2.954 0 50 EFAA C[C@H]1CN(c2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 328588429 GINCWVATQVJKDS-SMDDNHRTSA-N 327.222 2.618 0 50 EFAA Cc1cc2c(NC[C@@H]3CCc4c(C(=N)O)cnn4C3)ncnc2s1 328617617 CXOOBJNXVZKUHN-JTQLQIEISA-N 342.428 2.754 0 50 EFAA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1cccc(Br)c1 4050722 SYAKLHHMWLLBQU-MRVPVSSYSA-N 340.095 2.643 0 50 EFAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cc3ccccc3o2)cn1 328634679 MXBAUWDULKPVHZ-IRXDYDNUSA-N 342.418 2.869 0 50 EFAA CCc1nc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 77319183 QFOKZJNEKZRDNG-LJQANCHMSA-N 348.491 2.883 0 50 EFAA O=C([C@H]1CCNC1)N1CCC[C@H]1Cc1ccc(Br)cc1 153356879 ADEKDESWGLRTFH-ZFWWWQNUSA-N 337.261 2.592 0 50 EFAA CCc1cc(N2CCC[C@@H](C(=O)c3ccccn3)C2)n2nccc2n1 72436341 DLFRGBHPXQQISX-CQSZACIVSA-N 335.411 2.786 0 50 EFAA Cc1nc(CC(C)C)c(C(=O)N2CCC(O)(C(F)F)CC2)s1 331122448 AAWXBBHDIBCGSE-UHFFFAOYSA-N 332.416 2.882 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 368934750 XDDVFTZBHMKTRO-IBGZPJMESA-N 325.412 2.617 0 50 EFAA CCc1cnc(CNC(=O)N2CCOc3cccc(F)c3C2)s1 370212571 LQXTYBIQLVBVEC-UHFFFAOYSA-N 335.404 2.949 0 50 EFAA C[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)C1CCOCC1 127992459 JIDAFANMTHULOZ-JTQLQIEISA-N 333.413 2.570 0 50 EFAA O=C1CCCN1[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 71745323 CWZAWWHHTZOZOM-GOSISDBHSA-N 338.455 2.518 0 50 EFAA O=C(c1cc2n(n1)CCO2)N1CCc2cc(-c3ccccc3)oc2C1 377329371 HEGJJNRWROUJMM-UHFFFAOYSA-N 335.363 2.734 0 50 EFAA COc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc(C)c(C)c2)cc1OC 262885052 HBGKPNJBTYPXEX-QGZVFWFLSA-N 343.379 2.876 0 50 EFAA COc1ccc(O)c(NC(=O)c2cnn(C3CCOCC3)c2C)c1 129879763 CVFRHNAHQWZOQU-UHFFFAOYSA-N 331.372 2.510 0 50 EFAA OC1(c2cccnc2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1 216075119 KFRJMGSZQVBBNS-UHFFFAOYSA-N 334.423 2.751 0 50 EFAA CC1(C)CN(CCNC(=O)Nc2ccc(C3CC3)c(F)c2)CCO1 239619510 BFEAJCYPONBFCJ-UHFFFAOYSA-N 335.423 2.935 0 50 EFAA CC(C)(C)C(=O)Cn1cc(C(=O)N2CCCc3cc(F)ccc32)nn1 174683014 LSTXXGWJDXRSGU-UHFFFAOYSA-N 344.390 2.625 0 50 EFAA C[C@@H]1CCCCN1CCC1CCN(c2cnc(C(=O)O)cn2)CC1 263489393 ICRUTRANLGVQCQ-CQSZACIVSA-N 332.448 2.656 0 50 EFAA O[C@H]1C[C@@H]([C@@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 222243180 HQEAAVRBEVLGEJ-WRWLIDTKSA-N 341.455 2.741 0 50 EFAA Cc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)CC2=O)cc1 82147623 WPTYBADXVCYOTA-UHFFFAOYSA-N 326.371 2.552 0 50 EFAA Cc1cccc(C)c1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82107224 PFJHCKBGHVHFAG-NRFANRHFSA-N 344.499 2.890 0 50 EFAA CC(C)CN1C[C@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O 20993981 RTKAPFWIZHYTEH-CQSZACIVSA-N 341.411 2.820 0 50 EFAA O=C(CC1=CSC2=NCCN12)N1CCc2[nH]c3ccccc3c2C1 220254786 QYEHFIYFKMWQTM-UHFFFAOYSA-N 338.436 2.703 0 50 EFAA CC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1ccccn1 426465398 BBTJSGKFYMGSJM-QGZVFWFLSA-N 335.411 2.778 0 50 EFAA Cc1nc(C2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)n[nH]1 426420405 BEIQFCRGOOWJFS-UHFFFAOYSA-N 348.410 2.590 0 50 EFAA O=C(Cc1cccs1)N1CCCN(C(=O)c2ccsc2)CC1 194867326 YJAGRVOKIQUDMS-UHFFFAOYSA-N 334.466 2.727 0 50 EFAA Cc1cccc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)c1 220616409 CEJAANSCSRFFOZ-IBGZPJMESA-N 330.472 2.813 0 50 EFAA CN(C)CCCN(C)C(=O)NCc1cc(C(F)(F)F)ccc1F 426440227 FDMNYUWWJAJFLC-UHFFFAOYSA-N 335.345 2.938 0 50 EFAA COCCN(Cc1ccc(C)cc1)c1cc([C@H]2CCOC2)ncn1 426518867 XZMGYYSKNUWSPT-KRWDZBQOSA-N 327.428 2.942 0 50 EFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C(C)(C)N)c1C 91690111 QNVDVIGAFHFHOK-HNNXBMFYSA-N 326.444 2.720 0 50 EFAA C=Cc1cccc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1 91997214 OESIDORPKRDFGQ-UHFFFAOYSA-N 342.439 2.619 0 50 EFAA COCC1(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)CCC1 97819613 FEVQKGMBFYEQQS-KRWDZBQOSA-N 334.435 2.896 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)N2CC=C[C@@H]2C(C)C)c(C)c1 97698919 IAYGZZIVHGOVRY-QGZVFWFLSA-N 345.443 2.800 0 50 EFAA CCOCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 95517849 BHDBLGKXVLTXJG-LJQANCHMSA-N 338.492 2.690 0 50 EFAA CCc1nnc(CN(CC)C(=O)Nc2cc3c(cc2C)OCCO3)o1 96149139 HWBRRMFVGOPSDM-UHFFFAOYSA-N 346.387 2.766 0 50 EFAA CCc1c(C(=O)N2CCC[C@H](CO)CC2)cnn1-c1ccccc1C 294625129 ROJHSQPQQAXMQN-INIZCTEOSA-N 341.455 2.978 0 50 EFAA CN1CCN(C(=O)c2ccnn2CC(F)(F)F)C2(CCCCC2)C1 295459114 YISABRZMBOIWDP-UHFFFAOYSA-N 344.381 2.536 0 50 EFAA COc1cc(C)ccc1OCCN1CCN(C2CCCCC2)C(=O)C1 244874649 XEYWEXSRWBDONV-UHFFFAOYSA-N 346.471 2.859 0 50 EFAA CCc1c(C)nc(C)nc1N[C@@H](c1ccc(OC)nc1)[C@H]1C[C@H](O)C1 244707799 KHRYGOAYTYEHMQ-MPGHIAIKSA-N 342.443 2.984 0 50 EFAA C[S@](=O)Cc1cc(NC(=O)c2cc(C(=O)O)co2)ccc1Cl 183793219 HWLBJVDOSOPWFU-QFIPXVFZSA-N 341.772 2.762 0 50 EFAA CC1(Cn2cc(-c3nc(-c4ccccc4Cl)no3)nn2)COC1 183860441 ZNQRPGFTQVRKRL-UHFFFAOYSA-N 331.763 2.685 0 50 EFAA Cn1c(CNC(=O)C[C@@H]2CCOc3ccccc32)nnc1C1CCC1 184028830 IZJANNBDAMPWJO-AWEZNQCLSA-N 340.427 2.655 0 50 EFAA CN(CCC(=O)NC1CCCCCC1)Cc1cnc2ccccn12 252508585 XPKLDCNVRNQNPO-UHFFFAOYSA-N 328.460 2.995 0 50 EFAA CCCn1cc(CNC(=O)N(C)CC[C@H](O)c2ccccc2)cn1 534629986 SGDYAYKPPPVRKU-KRWDZBQOSA-N 330.432 2.558 0 50 EFAA C[C@](O)(CCCO)CNC(=O)c1cccc(-c2ccc(F)cc2)c1 299778620 HNDITYUOAYJREZ-IBGZPJMESA-N 331.387 2.746 0 50 EFAA CNC(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)o1 584885129 KPQPGPSXSHSXHR-GFCCVEGCSA-N 348.428 2.533 0 50 EFAA COc1ccc(OCC2CCN(Cc3cnc(OC)nc3)CC2)cc1 824683343 QKRWPBKZBCHMEQ-UHFFFAOYSA-N 343.427 2.785 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)OC12CCCC2 828244571 QWLRMGWPGBZEKW-CQSZACIVSA-N 345.443 2.513 0 50 EFAA O=C(C1CCC1)N1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 827716952 MGVFXTLOIJGTOO-UHFFFAOYSA-N 330.457 2.583 0 50 EFAA Ic1cccc(I)c1 55161584 SFPQFQUXAJOWNF-UHFFFAOYSA-N 329.906 2.896 0 50 EFAA in-vitro Cn1ncc(Cl)c1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 1362506295 ODTGPFJMUMTEPB-LLVKDONJSA-N 347.724 2.556 0 50 EFAA Cc1cc(S(=O)(=O)N(C)CCc2scnc2C)c(C)s1 952986053 YCGOKTJWIDWASO-UHFFFAOYSA-N 330.500 2.993 0 50 EFAA CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cccc(N(C)C)n2)C1(C)C 274208402 KFBPFNFKFCYXTG-CABCVRRESA-N 334.464 2.539 0 50 EFAA CN1C(=O)C[C@@H](NC2CCSCC2)[C@H]1c1ccc(F)c(F)c1 170062720 ITFHOGIVNMDMPP-GDBMZVCRSA-N 326.412 2.722 0 50 EFAA Cc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)ns1 278149158 BOOYRWRTQMRNJW-UHFFFAOYSA-N 349.843 2.703 0 50 EFAA CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CCO[C@H]2CCC[C@H]21 280497898 BBSHIWSEJKPGPC-NKKGCODLSA-N 336.407 2.865 0 50 EFAA O=C(CC1OCCCO1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 193552302 ZZKPKAHVPDZEMH-LSDHHAIUSA-N 337.416 2.627 0 50 EFAA CCOCCCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 195530324 MRZNTBPLLSWREB-QFBILLFUSA-N 347.503 2.619 0 50 EFAA COc1cccc([C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C(=O)O)c1 659174613 IDBPHVHBKJPRMG-AEFFLSMTSA-N 339.391 2.742 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCSCC1 1506398942 IAOPCTXBPCNPKG-UHFFFAOYSA-N 335.878 2.785 0 50 EFAA CCc1nccn1C[C@H](C)NCCC(=O)Nc1ccc(F)c(C)c1 1506405988 DVWWMFONZSFLKQ-AWEZNQCLSA-N 332.423 2.900 0 50 EFAA Nc1ncc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 210224908 IUFITAKXRUNFSE-MOPGFXCFSA-N 334.423 2.562 0 50 EFAA COc1ccc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1O 1704299310 IRCCXYNXSGSXOA-FQEVSTJZSA-N 339.439 2.979 0 50 EFAA C[C@H](C[S@@](C)=O)Nc1ccnc2cc(Br)cnc12 119181521 WZRSFRKKEVTMOO-CVJBHZAOSA-N 328.235 2.571 0 50 EFAA CCc1n[nH]c(SCC(=O)Nc2ccc(N(CC)CC)cc2)n1 5823264 APNZGOPATKBTFJ-UHFFFAOYSA-N 333.461 2.944 0 50 EFAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cnsn2)C1 11764948 QJGNRHIJTSLNBY-LLVKDONJSA-N 347.465 2.995 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)CC1CC1 11842348 LFILKKCMTHLOBF-KRWDZBQOSA-N 338.411 2.602 0 50 EFAA CC[C@H](COC)NC(=O)c1cc(Cn2c(C)nc3ccccc32)on1 12306673 WKHNTNRKOMTEEJ-CYBMUJFWSA-N 342.399 2.536 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1coc(COc2ccccc2F)n1 12589174 CKHLZUNRZDFRKH-ZDUSSCGKSA-N 347.390 2.607 0 50 EFAA CN(C)[C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 12756053 CBHRIZYBZUSACJ-KRWDZBQOSA-N 349.438 2.863 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)[C@@H]1CCCO1)C2 12027570 FUGCTOBPRKNGBN-YJBOKZPZSA-N 338.407 2.656 0 50 EFAA Cc1cc2c(cn1)CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1857677591 IVZMOMNOTIBTIF-UHFFFAOYSA-N 344.798 2.900 0 50 EFAA CC1(C(=O)NC[C@H]2[C@H]3CN(Cc4ccsc4)C[C@]34CC[C@H]2O4)CC1 1857720486 WJZIKHOJYNJNAN-WFXMFSGNSA-N 346.496 2.644 0 50 EFAA CCCCCN1C[C@@H]2[C@H](CNC(=O)c3ccoc3C)[C@H]3CC[C@]2(C1)O3 1857720706 GEYCQQNTKSJRPT-JRBPQWBISA-N 346.471 2.987 0 50 EFAA COc1ccc([C@@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C(F)(F)F)cc1 225401247 SUAHNKGKFVIYBU-AAVRWANBSA-N 344.333 2.918 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1 124304922 ROCBHDJLIVUFMH-WPRPVWTQSA-N 338.335 2.539 0 50 EFAA O=C(NCCCCCc1ccccc1)[C@@H]1CC12CCS(=O)(=O)CC2 241720840 QSSFCJNJZABYOW-KRWDZBQOSA-N 349.496 2.731 0 50 EFAA CC(C)n1cnc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1 131661345 FTANWVNBAFKSFW-UHFFFAOYSA-N 341.383 2.884 0 50 EFAA O=C1[C@H](Sc2cnn[nH]2)CCN1c1ccccc1C(F)(F)F 253421000 OEYQOOFWMAMOLP-SNVBAGLBSA-N 328.319 2.721 0 50 EFAA O=C(N[C@H]1CCc2ccccc21)N1CCC(Nc2cccnn2)CC1 153140867 IXMCSJGZGSGCLC-KRWDZBQOSA-N 337.427 2.750 0 50 EFAA CO[C@@H](C(=O)N1CC[C@@H](C(=O)O)c2ccccc21)c1ccccc1 392653362 OQMDPWPBLWDLTE-NVXWUHKLSA-N 325.364 2.979 0 50 EFAA CN(Cc1cnccn1)Cc1ccc(C(=O)O)cc1C(F)(F)F 901429062 QWZFLHYCCWAEGU-UHFFFAOYSA-N 325.290 2.826 0 50 EFAA O=S1(=O)CC[C@@H](c2noc(-c3ccc(F)c(C(F)F)c3)n2)C1 903981342 IGUQRIFCEMWAEW-MRVPVSSYSA-N 332.303 2.715 0 50 EFAA Cc1occc(=O)c1OCC(=O)N1CCC[C@@H]1c1ccc(F)cc1F 822006796 VBSJPBOIYSXCDU-OAHLLOKOSA-N 349.333 2.969 0 50 EFAA Cc1ccc(CC(=O)N[C@](C)(CO)c2ccc(O)cc2)cc1Cl 824474952 KMVPSZUOWGYAEK-GOSISDBHSA-N 333.815 2.920 0 50 EFAA Cc1ccc(N2CCC(C(=O)NC[C@]34CCC[C@H]3OCC4)CC2)nc1 830783106 RYUDGPBTSSATAZ-YLJYHZDGSA-N 343.471 2.682 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN([C@@H](C)c1ncccn1)CC2 929856965 MKBAFFIVZKHQBB-ZDUSSCGKSA-N 343.427 2.664 0 50 EFAA Cc1c([C@H](C)NC(=O)c2ccc(C(=O)O)o2)cnn1-c1ccccc1 1875257444 BWQOWUDTOCCBMR-NSHDSACASA-N 339.351 2.963 0 50 EFAA CC1(C)COCC[C@H]1CN=c1[nH]n2cc(-c3cccnc3)nc2s1 1875288093 NFESTKDPNIGXAL-ZDUSSCGKSA-N 343.456 2.749 0 50 EFAA C[C@H](NC(=O)c1ccnc(C(N)=O)c1)c1csc2ccccc12 1875305511 URXUKAIISXCHHQ-JTQLQIEISA-N 325.393 2.886 0 50 EFAA CN(C)C/C=C/C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1875377298 XEQCLHOYCMZLAE-NCKTXVJMSA-N 326.444 2.823 0 50 EFAA Cc1[nH]c(=N)[nH]c(=NCc2cc(-c3ccc(Cl)cc3)no2)c1C 1875342335 LMSZSLQEKKHODD-UHFFFAOYSA-N 329.791 2.848 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccnn2[C@@H]2CC2(F)F)c2ccccc21 1875404622 OZOINQWHRKVGGG-IINYFYTJSA-N 347.321 2.682 0 50 EFAA Oc1nc2ccccc2cc1Cn1cc([C@]2(O)C[C@H]3CC[C@H]2C3)nn1 881291470 QKZINCCULLELKR-ODYMNIRHSA-N 336.395 2.588 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(Cc3cc4ccccc4o3)C2)n1 888077236 VQCCTJVEOODFQW-GOSISDBHSA-N 327.384 2.694 0 50 EFAA CCn1ncc2cc(C(=O)N3CC[C@@H](C(F)(F)F)C3)c(C)nc21 888019692 XDKNWKIKRYLNBS-LLVKDONJSA-N 326.322 2.784 0 50 EFAA Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2ccc(F)cc2)n1 108904 YWQBHWBNYPOXKE-UHFFFAOYSA-N 342.252 2.905 0 50 EFAA Nc1c(C(=O)NC[C@@H]2CCCO2)sc(=S)n1-c1ccccc1 314260 HIZMHZJVBVKXFK-NSHDSACASA-N 335.454 2.759 0 50 EFAA CS(=O)(=O)C1CCC(C(=O)Nc2cccc3c2OCCC3)CC1 2325761155 XGRLMOXXXRQZJI-UHFFFAOYSA-N 337.441 2.554 0 50 EFAA Cc1ccc2oc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cc2c1 2325785981 WVVVMEJZHSLUOC-NUEKZKHPSA-N 339.395 2.507 0 50 EFAA C[C@H]1NCCn2c(C(=O)NCCc3ncc(-c4ccccc4)[nH]3)ccc21 2325796173 XJVIPBCSKKTMKL-CQSZACIVSA-N 349.438 2.515 0 50 EFAA CCC[C@H]1C[C@H](C(=O)N2CC(c3ccc(C(=O)O)cc3)C2)CCO1 2325812879 OTJRXSKCBZAAPK-WBVHZDCISA-N 331.412 2.906 0 50 EFAA C[C@@H](N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCN(S(C)(=O)=O)CC1 2325828359 FIAZXUYLBUXGQN-IIVZCXTMSA-N 342.549 2.851 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC[C@@H](CC(N)=O)C2)n1 892775172 UCWSNIUOTYFYMZ-AWEZNQCLSA-N 325.416 2.620 0 50 EFAA CCC[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2F)CCN1 895059274 RSTVAFKTUJIHFP-ZDUSSCGKSA-N 340.406 2.533 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1 191089 DFPDDJUKTMHYRA-UHFFFAOYSA-N 327.409 2.549 0 50 EFAA CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 562897 QKAJGVBTDXSHBA-SECBINFHSA-N 336.251 2.925 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCC3CCC3)C1)CC2 2356142889 MCQRNTXYBQWMRL-HXUWFJFHSA-N 342.487 2.929 0 50 EFAA O[C@H]1CCCN(c2ccnc(Nc3ccc(-c4ncc[nH]4)cc3)n2)C1 2356151315 CMQRLPZDWUKQRZ-HNNXBMFYSA-N 336.399 2.571 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)on1 2356152410 HVKXMXLABKHFCR-SFHVURJKSA-N 333.432 2.804 0 50 EFAA CC(C)C(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1 2356163877 VRIPRALVZPXRKO-UHFFFAOYSA-N 345.468 2.921 0 50 EFAA C[C@H](c1ccccc1Cl)N(C(=O)[C@@H](C)S(C)(=O)=O)C1CC1 112786414 LDDSVYLRTUDMJO-GHMZBOCLSA-N 329.849 2.825 0 50 EFAA COc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 55561861 LJVUDCFSWHJATD-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccccc3F)C[C@H]2CCO)o1 104421080 DUVAKGDUBCZLIV-QGZVFWFLSA-N 332.419 2.796 0 50 EFAA COc1ccc(COC[C@H](O)CN[C@@H]2CCCC[C@H]2C)cc1OC 248001075 SNFRWFGWZKWUJE-DJIMGWMZSA-N 337.460 2.750 0 50 EFAA CN(Cc1ccc2nonc2c1)C(=O)C1(N2CCCC2)CCCC1 65531167 KOKXRUXKLGVBBW-UHFFFAOYSA-N 328.416 2.590 0 50 EFAA OCC[C@@H]1CN(Cc2ccncc2)CCN1CCCc1ccccc1 20271513 LLESEOSJQAJNMM-OAQYLSRUSA-N 339.483 2.583 0 50 EFAA CC(C)CNC(=S)N1CCN(Cc2ccccc2Cl)CC1 20468659 AAYDRTVRRBTAMY-UHFFFAOYSA-N 325.909 2.988 0 50 EFAA CC(C)CN1CCN(Cc2ccccc2OC(F)F)C[C@@H]1CCO 20541154 NVZJAJCACTYXSE-INIZCTEOSA-N 342.430 2.813 0 50 EFAA COc1ccc(-n2nc(CC(C)C)nc2[C@@H](C)n2cncn2)cc1 65396641 MNXWHKXPNCGUCM-CYBMUJFWSA-N 326.404 2.675 0 50 EFAA Cc1ccnc(N2CCN(C3CCC4(CCNCC4)CC3)CC2)c1 67856495 UFEIZFAINOTQEF-UHFFFAOYSA-N 328.504 2.824 0 50 EFAA COc1cc(CCNC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)ccc1C 119017589 JMHRGIBJGCMKKG-MSOLQXFVSA-N 345.487 2.672 0 50 EFAA Cn1nc(NC(=O)[C@H]2CCCO2)c2c(Oc3cccnc3)cccc21 72477115 JHUMWBCSFQQTLY-OAHLLOKOSA-N 338.367 2.878 0 50 EFAA CCc1n[nH]c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c1C 77424486 NNZCVPMGRZPSIC-GOSISDBHSA-N 341.455 2.736 0 50 EFAA COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 4693575 SUBDBMMJDZJVOS-XMMPIXPASA-N 345.424 2.900 0 50 EFAA biogenic,fda CSc1cccc(F)c1C(=O)N1CCC[C@H](Cn2cncn2)C1 253395056 MBHVPACANHIMFG-LBPRGKRZSA-N 334.420 2.692 0 50 EFAA CC(C)c1cc(N(C)Cc2cccc(-c3nnn[nH]3)c2)n2nccc2n1 72167152 RNKMGJPWUCVMOM-UHFFFAOYSA-N 348.414 2.669 0 50 EFAA CN1CCC(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 72117416 IHLXMKSJAKLBCT-UHFFFAOYSA-N 343.515 2.747 0 50 EFAA COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 253433413 WPIPQWWGVTWTLF-DLBZAZTESA-N 342.443 2.638 0 50 EFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)CO[C@H]3CCCC[C@H]3C)C2)n1 257365460 XLAYHTNVGCFRGX-XYPHTWIQSA-N 334.464 2.654 0 50 EFAA NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 34256912 LGAJODLYSDBLKJ-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA CNC(=O)CCC(C)(C)NC(=O)c1cc(-n2cccn2)ccc1Cl 215447367 QGGXYUVVMIZYLR-UHFFFAOYSA-N 348.834 2.560 0 50 EFAA OC[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2ccncc2)cc1 366669218 YKIAQGNMWVZCBS-INIZCTEOSA-N 334.366 2.863 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCSC[C@H]2C2CCC2)cc1 490730963 HZQXJPXCXZCEKU-KRWDZBQOSA-N 344.480 2.847 0 50 EFAA CC[C@H]1c2cccn2CCN1S(=O)(=O)N1CCc2ccccc2C1 77374991 XEIDSLNEHOFSHB-KRWDZBQOSA-N 345.468 2.558 0 50 EFAA COc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 70928404 CIMXMCORFWUGEO-UHFFFAOYSA-N 325.412 2.737 0 50 EFAA CC(C)[C@H](NC(=O)c1ccc(C(=O)O)cc1F)c1nc(C2CC2)no1 262313991 BUFCZQUKIXCRHI-ZDUSSCGKSA-N 347.346 2.911 0 50 EFAA COc1cccc(N2CC[C@H](CNC(=O)N3C[C@H]4[C@@H](C3)C4(C)C)C2)c1 239637082 BISNQOXCHHNTQW-OLMNPRSZSA-N 343.471 2.819 0 50 EFAA C[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(OCC(=O)O)cc1 263069519 PAQAGOKETTXGBH-LBPRGKRZSA-N 345.399 2.593 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3c(C)noc3C)CC2)OC1=O 77428793 UYNNLDQMPXXEHN-LBPRGKRZSA-N 349.431 2.907 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COc2cccc(C)c2)c1 337512065 MQEMJDYQXBPDKG-QFBILLFUSA-N 341.407 2.717 0 50 EFAA COc1c(F)cc(CN2CCC3(CC2)CN(C)C(=O)O3)cc1Cl 72407683 VGNBIWJXLSZPOW-UHFFFAOYSA-N 342.798 2.904 0 50 EFAA C[C@@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)n1cncn1 242047986 VRTYQVWRMJUAPV-VIFPVBQESA-N 330.413 2.621 0 50 EFAA Cc1nsc(N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 242346994 ZKXPETXMHOPZPO-QGZVFWFLSA-N 346.500 2.728 0 50 EFAA CC(C)n1c([C@H](C)NC(=O)[C@H]2CSC(=O)N2)nc2ccccc21 174984491 WULQUPWXHIWLHS-CMPLNLGQSA-N 332.429 2.619 0 50 EFAA Cn1c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc2ccccc21 225414601 MEDLIGCWDHFFAS-ZBFHGGJFSA-N 347.418 2.600 0 50 EFAA biogenic Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C 286439520 TXWYBHZOSUMTCR-XYPHTWIQSA-N 337.847 2.959 0 50 EFAA CC(=O)NCC[C@H]1CCCCN1C(=O)CCc1ccc(N(C)C)cc1 82156782 DLTAXHCNDQLEHL-LJQANCHMSA-N 345.487 2.593 0 50 EFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)s1 17071011 KSRZPBJWXFQPAM-QWRGUYRKSA-N 338.429 2.629 0 50 EFAA CC(C)[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(C(F)F)cc1 287448617 IAKXUVXAXQJVPA-QWHCGFSZSA-N 347.383 2.744 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1 177070982 HZFVNNQNLXGVSR-UHFFFAOYSA-N 328.463 2.920 0 50 EFAA Cc1ncsc1CCC(=O)NCc1nnc(-c2ccccc2)o1 82120136 MLHVMBJNPIQUMJ-UHFFFAOYSA-N 328.397 2.751 0 50 EFAA CSCCCNC(=O)c1ccc(-c2ccc(C(N)=O)s2)cc1 426477570 NDYVCMIDSLGKRP-UHFFFAOYSA-N 334.466 2.997 0 50 EFAA Cc1cnc(C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)o1 291707028 HBEAMRRCIVSMDR-OAHLLOKOSA-N 330.384 2.682 0 50 EFAA CCOc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](N)C3)s2)cc1 236865490 WKYXIHMBJJECHI-ZDUSSCGKSA-N 331.441 2.690 0 50 EFAA O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CC2)C1 91737257 IRYVTZPNBLEZFJ-GOSISDBHSA-N 334.419 2.981 0 50 EFAA O=C(CCc1cn2ccccc2n1)N1CCC[C@@]2(CCCO2)CC1 97570860 BHGDHUTURMCFGV-LJQANCHMSA-N 327.428 2.829 0 50 EFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 95353485 YBNIHLCAZNCXOF-KRWDZBQOSA-N 332.492 2.731 0 50 EFAA CN(C)c1ccc(CCNC(=O)[C@@H](c2ccccc2F)N(C)C)cc1 91746192 FSZJNLWZUYYKNU-LJQANCHMSA-N 343.446 2.853 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)C3(c4ccccc4)CCCC3)C2)C1=O 91782507 KLCYZIYUGQGMKD-HXUWFJFHSA-N 340.467 2.969 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)CCc1scnc1C)C2 92096629 UBAAXEZJCSGBTL-CQSZACIVSA-N 346.452 2.712 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 244796064 RSBBBHFQWKUFJW-OAHLLOKOSA-N 349.394 2.622 0 50 EFAA Cn1cc([C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]2C[C@H](O)C2)cn1 244715776 LCCUWGUUEXBWHH-BHIYHBOVSA-N 339.439 2.541 0 50 EFAA 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0 50 EFAA COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 87058 MXKOBTYPHYSCSK-UHFFFAOYSA-N 344.436 2.916 0 50 EFAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 132092 LSDGIQRHZAALQJ-UHFFFAOYSA-N 333.413 2.867 0 50 EFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(C)cc1 251342 IHRKBZGURKBWFR-MRXNPFEDSA-N 325.364 2.958 0 50 EFAA CCN1CCO[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O 546205 ZGQMEJOFVVNQEK-LBPRGKRZSA-N 331.199 2.569 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2c(C(F)(F)F)cccc21)c1ccco1 614270 HCBQUIZQSAQLLL-CQSZACIVSA-N 325.242 2.711 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2ccc(C(=O)O)cc2)C1=O 2356169122 LPFYGMLBMQPBKK-IBGZPJMESA-N 330.428 2.752 0 50 EFAA C[C@H](NC[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4023017 HEBNAYZDCNQROW-KSMMKXTCSA-N 327.380 2.645 0 50 EFAA biogenic CC(C)Cc1cc(-c2nn3c(-c4ccncc4)nnc3s2)[nH]n1 8991911 BNCKDEQAQIGLCJ-UHFFFAOYSA-N 325.401 2.836 0 50 EFAA CCn1cc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 55042077 FMUOIJYEZUZYCX-QGZVFWFLSA-N 334.427 2.922 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 55375097 MURPIRFVNSEQDO-UHFFFAOYSA-N 335.473 2.999 0 50 EFAA Cc1cc(NC(=O)Cn2ccc(-c3cc(C)sc3C)n2)n(C)n1 63835012 BGDZRDIERZBXBO-UHFFFAOYSA-N 329.429 2.909 0 50 EFAA C[C@H](NC(=O)Cc1cccc(C(=O)O)c1)c1cccc(-n2cccn2)c1 347372716 QOVKQVHOBQTMSI-AWEZNQCLSA-N 349.390 2.990 0 50 EFAA CCCOC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 65395518 KOPBPFFYMUTKKL-UHFFFAOYSA-N 342.399 2.888 0 50 EFAA O=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1cncs1 67934469 GBBQRAQLFLOWIY-JBQRSBCVSA-N 331.441 2.891 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@H](O)C[C@@H]3c3ccc(F)cc3)nc2c1 348265977 XPFSBZNMPREHGC-NVXWUHKLSA-N 339.370 2.730 0 50 EFAA N#Cc1cc2c(=O)n(Cc3cnc4ccccc4c3)ccc2nc1O 67674353 WKSYLYCKFXWRCS-UHFFFAOYSA-N 328.331 2.570 0 50 EFAA OCC[C@@H]1CN(Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 20450451 VKGVOWXKNZHEFV-OAHLLOKOSA-N 336.382 2.627 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)s1 331421644 DFXYOUMURPCFDK-LBPRGKRZSA-N 333.413 2.636 0 50 EFAA CCc1nc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)nn1C 65532571 PRVKPNWTBZXQFH-CQSZACIVSA-N 341.459 2.862 0 50 EFAA Cc1ccc(-n2cccn2)c(CN2CC[C@@H](CNC(=O)C3CC3)C2)c1 67920307 OVSWFPHBZQAXNL-INIZCTEOSA-N 338.455 2.529 0 50 EFAA CCc1nccn1CCC(=O)N1CCCC2(CCN(C)CC2)CC1 67919641 PCURMRJGPXVBFD-UHFFFAOYSA-N 332.492 2.560 0 50 EFAA NNC(=S)Nc1ccc(OC(F)(F)F)cc1Br 67800264 WYDHLEKSKCHQFU-UHFFFAOYSA-N 330.129 2.508 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)CCNCC2 252503282 VAPNJVQPGOWZOL-QGZVFWFLSA-N 349.478 2.631 0 50 EFAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCC[C@H]1c1ccccn1 77407551 ZTLPWTKOYQYUNX-SFHVURJKSA-N 345.402 2.930 0 50 EFAA Cc1cc(N2CCC(Oc3cnccn3)CC2)ncc1Br 330115587 FTAUCVRCXLDRSD-UHFFFAOYSA-N 349.232 2.990 0 50 EFAA CCn1ccnc1-c1nccn1Cc1noc(Cc2ccccc2)n1 72474708 SZIQCJOZTARCEM-UHFFFAOYSA-N 334.383 2.789 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCSc3ccncc31)CO2 125076342 NZTYXNGHQWSVOA-CYBMUJFWSA-N 342.420 2.780 0 50 EFAA CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccco2)c1 172621328 UOLJEWSRCVFZDF-UHFFFAOYSA-N 337.401 2.753 0 50 EFAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)OC[C@H]3CCCCO3)C2)n1 257365843 UORUNVCYRAVGTQ-KZNAEPCWSA-N 349.475 2.638 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)NCc2cccc(-c3ccccn3)c2)C1 152926190 HKCHMTABGZIKDA-GOSISDBHSA-N 337.423 2.623 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc4nonc4c3)cc2)n1 77391252 BZKUJMDQBKQELI-UHFFFAOYSA-N 347.378 2.955 0 50 EFAA O=C(NC[C@H]1CCC[C@H](O)C1)c1ccccc1COC1CCOCC1 127468475 PGYFFGZALOSCDW-RDJZCZTQSA-N 347.455 2.663 0 50 EFAA CC1(C)[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)[C@@H]2CCO[C@@H]21 365702191 LQPOIIJLIVWKPV-IHPCNDPISA-N 338.451 2.800 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 77343927 HTZWWHVBWQOZJW-GFCCVEGCSA-N 341.411 2.545 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 237467047 VPMSLRGGEKNZJR-LRDDRELGSA-N 340.427 2.813 0 50 EFAA Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)cc2)c1 237913922 SPPBHPHRQKMISO-HNNXBMFYSA-N 341.411 2.898 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 237961639 ZBBPTTGQTIAOHY-ROUUACIJSA-N 344.455 2.754 0 50 EFAA Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccnnc4C)C3)[nH]c2c1 372228981 RWGDQGQTNGVOPR-AWEZNQCLSA-N 335.411 2.990 0 50 EFAA Cc1ccnc(C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)n1 373368106 CWDBGRUMYJOKHN-UHFFFAOYSA-N 349.431 2.801 0 50 EFAA O=C1CCC[C@H](CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)N1 377566924 WINVBKKABIQUPE-GFCCVEGCSA-N 341.238 2.937 0 50 EFAA CC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1 72147083 DNNPKMCWJBCJGR-UHFFFAOYSA-N 345.516 2.870 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 77321937 YFBPKFISPQKGIL-QGZVFWFLSA-N 342.443 2.684 0 50 EFAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 245689961 ARCVNIDFLREJME-CJNGLKHVSA-N 327.428 2.906 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 286323493 OANBJSWLBAQORX-GUDVDZBRSA-N 331.456 2.624 0 50 EFAA CN(Cc1cccc(C(=O)O)c1)Cc1nccn1CC(F)(F)F 263490501 QZVFQOFGPWPJAS-UHFFFAOYSA-N 327.306 2.776 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CCCO1 426403563 RMUCMZLVPPVATL-LLVKDONJSA-N 339.823 2.685 0 50 EFAA Cn1ncc(C(=O)O)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 20602629 DPUHXIZFWMHFDL-UHFFFAOYSA-N 349.390 2.961 0 50 EFAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 426701600 MHWCQJJBXHREST-INIZCTEOSA-N 338.411 2.829 0 50 EFAA CCCc1n[nH]c2c1CN(S(=O)(=O)c1cc3ccccc3o1)CC2 20909120 FOULQZGBXCNCQA-UHFFFAOYSA-N 345.424 2.855 0 50 EFAA CNC[C@@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 179009116 AAESDPANKYZJKT-LBPRGKRZSA-N 330.350 2.586 0 50 EFAA CC(C)(C)/C=C/[C@@H](C(=O)O)N1CCCN(Cc2ccccn2)CC1 95378033 AFQJOSSXNIFBHH-IJDCCNJMSA-N 331.460 2.645 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]c2=O)c1 91876696 SIMDFEBMFCQPDZ-INIZCTEOSA-N 339.395 2.633 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 95527691 QTDJWUNXBXGZLX-CQSZACIVSA-N 346.431 2.661 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1cccc(-c2ccco2)c1 95501460 QSEDZGVVQPSZQX-UHFFFAOYSA-N 329.400 2.790 0 50 EFAA CCCCOc1ccc(CN2CCN(Cc3noc(C)n3)CC2)cc1 93274226 RMNUZAGYAVUGGR-UHFFFAOYSA-N 344.459 2.875 0 50 EFAA COc1cccc(-c2cc(C(=O)NCCCc3ccncc3)[nH]n2)c1 91303950 FEWUOTSIKNQXHD-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1c1ccc(C)o1 91736928 VSWXZEMHXWOAGJ-HZPDHXFCSA-N 346.452 2.713 0 50 EFAA COc1cc2c(cc1NC(=O)NCCCc1nc(C)cs1)OCO2 96141482 YCLKENKNHQAQKG-UHFFFAOYSA-N 349.412 2.943 0 50 EFAA COc1ccccc1CNC(=O)CN(C)Cc1cnc2ccccc2c1 243956965 CEXCAPJYLFRPGW-UHFFFAOYSA-N 349.434 2.992 0 50 EFAA C[C@@](O)(CNS(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccccc1 295445276 DURZSTNBCYQDCP-HUUCEWRRSA-N 347.427 2.639 0 50 EFAA Cc1ncsc1CCNC(=O)N[C@H]1CCOc2c(F)cccc21 297004257 VGPUPDXVGOIEJW-ZDUSSCGKSA-N 335.404 2.956 0 50 EFAA CCC1(CNC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)CCC1 534658163 XTTIJIZMWQSIOP-UHFFFAOYSA-N 347.434 2.760 0 50 EFAA COCCc1noc([C@H](C)NC(=O)c2c(F)ccc(C)c2Cl)n1 299779022 JGLHGHMRAWWXIV-VIFPVBQESA-N 341.770 2.850 0 50 EFAA CC(C)C[C@H](NC(=O)c1cccs1)c1ncnn1CC(C)(C)O 821004204 WXNGXJSQFWDZTL-LBPRGKRZSA-N 336.461 2.628 0 50 EFAA Cc1nc(-c2cccc(C(=O)NCC(=O)NC(C)C)c2)ccc1Cl 584893741 GVWUKRZGSDYEMW-UHFFFAOYSA-N 345.830 2.965 0 50 EFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1nccn2cnnc12 1333659019 CZEZOGJNWQNCHL-GFCCVEGCSA-N 344.369 2.508 0 50 EFAA COCC1CCN(Cc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cc2)CC1 48121699 JSLYNQBDDPQYDL-UHFFFAOYSA-N 341.455 2.912 0 50 EFAA Cc1cccc(SC2CCN(C(=O)CCn3cnnc3)CC2)c1 952970995 CUKKTZXHSUAPIZ-UHFFFAOYSA-N 330.457 2.760 0 50 EFAA COC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(O)nc3ccccc23)CC1 952964052 PVHUMAYECCMUJY-JOCQHMNTSA-N 342.395 2.650 0 50 EFAA Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 408518195 WOWGDBLOYFFOLE-JTQLQIEISA-N 337.773 2.683 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCCN2CC[S@@](=O)c2ccccc2)n1 205252130 WJIBISRMSXDCIW-BXKMTCNYSA-N 346.500 2.557 0 50 EFAA Cn1cc([C@@H](NC(=O)N2CCc3sccc3C2)C(F)(F)F)cn1 278224665 FCDYGROKIQIAIC-GFCCVEGCSA-N 344.362 2.853 0 50 EFAA C[C@@H](OC(=O)c1cn(C(C)(C)C)nn1)c1ccc(-n2cncn2)cc1 170611760 QIALXUCBDSOFRZ-GFCCVEGCSA-N 340.387 2.532 0 50 EFAA C[C@@H](Cc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 188272837 VHCKZHFTXJUJDU-SMDDNHRTSA-N 335.249 2.576 0 50 EFAA CCN1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1=O 639907607 ZCPYJQFIGCQMLZ-KFWWJZLASA-N 326.799 2.520 0 50 EFAA NC(=O)c1ccc(CNC(=O)N2CCc3cc(Cl)ccc3C2)cc1 191088487 INZNHBLXAPMFPT-UHFFFAOYSA-N 343.814 2.707 0 50 EFAA CCn1ncnc1CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 193304974 DFPCYQDJXJSDAA-UHFFFAOYSA-N 342.230 2.675 0 50 EFAA CCS(=O)(=O)N(C)C1CCN(Cc2ccc(C)c(Cl)c2)CC1 193934483 NSVHQBTWIOUPCN-UHFFFAOYSA-N 344.908 2.894 0 50 EFAA C[C@H]1CC[C@@H](NC(=O)Nc2cccc(C(C)(F)F)c2)CS1(=O)=O 666826839 CZNPWBSLHLTYEG-GXFFZTMASA-N 346.399 2.886 0 50 EFAA CC(C)=C[C@H]1[C@H](C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)C1(C)C 681940875 WRRRZVMFKZPCHP-UNGSAITNSA-N 348.487 2.669 0 50 EFAA Cc1nc2ccc(C(=O)Nc3nnc(CCN(C)C)s3)cc2s1 1529178404 KLNDSBKSGSHLTN-UHFFFAOYSA-N 347.469 2.813 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCN2CCCO2)C[C@@H](c2ccccc2)O1 1529099265 VJJCOHKXTLCXAM-MSOLQXFVSA-N 332.444 2.639 0 50 EFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)CN(C)Cc1cccnc1 1529126056 SDUIKMMPOUVEKX-INIZCTEOSA-N 349.438 2.958 0 50 EFAA COc1ccc(-c2onc(N[C@@H]3CCCC[C@H]3O)c2C(=O)O)cc1 1704311743 BCMWDCMTZBYLHE-CHWSQXEVSA-N 332.356 2.764 0 50 EFAA COc1ccnc(CN2CCC(Cc3ccc(O)nc3)CC2)c1OC 1772817382 CTMHVDGKKNBONH-UHFFFAOYSA-N 343.427 2.654 0 50 EFAA CCc1ocnc1C(=O)N1CC[C@]2(CCCN(CC(C)(C)C)C2=O)C1 12053122 BCVQMNWVXGOESP-LJQANCHMSA-N 347.459 2.738 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccco2)c1 2736984 SPCXTVCXSYPEJA-SOFGYWHQSA-N 329.308 2.505 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOc4cccc(F)c4C3)n[nH]c21 1857529415 TZKQHKKZLCPDFT-MNOVXSKESA-N 345.374 2.606 0 50 EFAA O[C@H]1CN(c2nnc(-c3ccccc3)s2)C[C@H]1Cc1ccncc1 1875247232 GSDDIOQTPSGSRY-CVEARBPZSA-N 338.436 2.640 0 50 EFAA CC[C@@H]1CN(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)C[C@H](C)O1 230075507 ZFDQDECBVBEGPH-LZWOXQAQSA-N 345.447 2.635 0 50 EFAA CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)ccc1C 425632136 CRRWKPLVYDBQJN-GOSISDBHSA-N 340.398 2.837 0 50 EFAA Cc1ccc(Br)c(C(=O)NCCCO[C@H]2CCOC2)c1 124588475 LISLZYXIWXPGMZ-LBPRGKRZSA-N 342.233 2.683 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](N)C[C@@H]2C)cnn1-c1ccccc1Cl 237628464 XGKNGJWMQRPORL-WCQYABFASA-N 332.835 2.786 0 50 EFAA CCC(=O)N1CCC[C@@H](C(=O)N2Cc3ccccc3N(C)C[C@H]2C)C1 245316745 KMUQZPOJUUVCTI-NVXWUHKLSA-N 343.471 2.502 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 252497436 QHPGQVUNPUUWNA-ZACQAIPSSA-N 335.469 2.552 0 50 EFAA CCOC(=O)c1ccccc1N(C)C(=O)[C@H]1CCCc2nn(C)cc21 252511132 ZUTRQKNTJZLMHB-ZDUSSCGKSA-N 341.411 2.680 0 50 EFAA COc1ccccc1N1CCN(C[C@H](O)COC2CCCCC2)CC1 20668491 FELBNIUJXNXIIR-KRWDZBQOSA-N 348.487 2.527 0 50 EFAA O=C(Nc1cccc(NC(=O)[C@H]2C[C@]23CCOC3)c1)c1ccncc1 363795412 GNOAPSFAHYZLFI-APWZRJJASA-N 337.379 2.699 0 50 EFAA COc1ccc(Cl)cc1NCC(=O)N1CCC(n2ccnc2)CC1 263858767 IYOVTSDOELKWJX-UHFFFAOYSA-N 348.834 2.821 0 50 EFAA C[C@@H]1OCCO[C@@H]1C(=O)N(Cc1ccco1)c1ccc(F)cc1F 902733678 NKJWIKBHYFRKFQ-ZBEGNZNMSA-N 337.322 2.895 0 50 EFAA Cc1c(C[C@H](CN)CO)cccc1-c1ccc([C@@H]2CCC(=O)N2)cc1 906203733 DRHFFBVALHRIET-QRWLVFNGSA-N 338.451 2.723 0 50 EFAA Cn1nc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1Cl 823171314 OWMFBMWVRIVMGN-UHFFFAOYSA-N 337.782 2.648 0 50 EFAA O=C(c1ccc(NCCc2ccccn2)cc1)N1CC[C@H](CCO)C1 863948175 PNARDDAKIBBVHA-MRXNPFEDSA-N 339.439 2.581 0 50 EFAA O=C(O)C[C@H](NC(=O)c1cccc2c1COCC2)c1ccc(F)cc1 952886878 XZIZQGVPUPGZCE-KRWDZBQOSA-N 343.354 2.844 0 50 EFAA Cc1cc(CO)cc(C)c1CNCc1nn(C)cc1Br 1875283819 CYPLNTDFOVFTNI-UHFFFAOYSA-N 338.249 2.582 0 50 EFAA CC(C)(C)CNC(=O)Cn1cc(-c2ccc(C(F)(F)F)cn2)nn1 1875282222 RWRCAALTZGSLDL-UHFFFAOYSA-N 341.337 2.521 0 50 EFAA O=c1onc(-c2ccccc2Cl)n1Cc1nnc(-c2ccco2)o1 1875391571 CXONWVJFVOIYRO-UHFFFAOYSA-N 344.714 2.848 0 50 EFAA c1ccc(-c2nc3ccccc3c(=N[C@@H]3COC[C@@H]3C3CC3)[nH]2)nc1 1875361276 WHYJKEFCPOYYNY-CRAIPNDOSA-N 332.407 2.951 0 50 EFAA COC(=O)C(C)(C)c1ccc(NCc2c(CO)cnc(C)c2O)cc1 1167820524 WDJDQWPKDCIKEI-UHFFFAOYSA-N 344.411 2.651 0 50 EFAA Cc1nc(C2CC2)oc1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886097011 VJDHZRUHFQKWSA-JSGCOSHPSA-N 341.371 2.885 0 50 EFAA COc1cc(C2(c3nnc([C@@]4(OC)CCOC4)o3)CC2)ccc1C 886086696 ZAIHTWSKVOBUBW-GOSISDBHSA-N 330.384 2.729 0 50 EFAA CN(CC1=CCCOC1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccn1 888101686 LBUCUOLSMMPCKE-SJLPKXTDSA-N 329.444 2.781 0 50 EFAA CN(Cc1ncc(Br)cn1)c1ncnc2c1CCCC2 895328550 AJWRIMAINZKADA-UHFFFAOYSA-N 334.221 2.544 0 50 EFAA Cc1nc(C)c(C)c(N2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)n1 1775989057 BIISGRQGBITUQI-UHFFFAOYSA-N 349.442 2.514 0 50 EFAA c1ccc2c(c1)nc(N1CCN(C3CCCCC3)CC1)c1nncn12 4709814 JXXSVCJNNKYRGJ-UHFFFAOYSA-N 336.443 2.732 0 50 EFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC1CCCCC1 5902335 FRSBAONCFYXQEJ-UHFFFAOYSA-N 343.452 2.978 0 50 EFAA C[C@H](N=c1cc2n([nH]1)CCC2)C(=O)Nc1ccc(C(C)(C)C)cc1 2325772426 RFYIVJHAWQEXLW-ZDUSSCGKSA-N 326.444 2.988 0 50 EFAA Cn1ccnc1Sc1ccc(NC(=O)[C@@]23CCNCC[C@@H]2C3)cc1 2325774853 ZCBHRIOHXBYDQZ-FZKQIMNGSA-N 342.468 2.900 0 50 EFAA Oc1cc([C@H]2CCCN(c3ccc4c(O)ncnc4n3)C2)ccc1F 2325802602 PPNKDJNMIVPCFP-LBPRGKRZSA-N 340.358 2.959 0 50 EFAA Cc1c(CN2CCCC[C@H]2CS(N)(=O)=O)sc2ccccc12 2325869099 YOJHPEMCTIZQIH-ZDUSSCGKSA-N 338.498 2.853 0 50 EFAA CCC[C@@H](CC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 873513275 XTFOCCCNABSBBN-SECBINFHSA-N 338.351 2.732 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 249107 OIYHQUKZPBANLR-UHFFFAOYSA-N 337.397 2.903 0 50 EFAA CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 4809532 MCJXCQDLWTZOLS-UHFFFAOYSA-N 336.438 2.617 0 50 EFAA CCc1ccccc1N1C(=O)C[C@@H](NC2Cc3ccccc3C2)C1=O 10493785 STAIOPZRQMLUBS-GOSISDBHSA-N 334.419 2.638 0 50 EFAA Cn1cnnc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1 53326153 MAUWHYYKYSFGJG-UHFFFAOYSA-N 348.447 2.675 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 225417979 JLSCGVZEBYUQQV-CHWSQXEVSA-N 341.238 2.834 0 50 EFAA CCO[C@H]1C[C@@H]1NC(=O)COc1ccc(Br)cc1Cl 225524130 QICKVPZHCBWAHX-JQWIXIFHSA-N 348.624 2.775 0 50 EFAA O=C(CSc1ccncc1)N[C@@H](Cn1cccn1)c1ccccc1 20541451 HSUOPQMTZGASPN-KRWDZBQOSA-N 338.436 2.928 0 50 EFAA COc1cccc(C[C@@H]2CN(Cc3cnc(N(C)C)s3)CCO2)c1 20905973 WPNOKVDPDLOFJO-MRXNPFEDSA-N 347.484 2.661 0 50 EFAA CCn1ncc(CN[C@H]2CCCN(Cc3cccc(OC)c3)C2)c1C 20449052 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EFAA c1ccc(CNc2nc3nonc3nc2NCCc2ccccn2)cc1 11937538 BJVYLXQMGNNGTL-UHFFFAOYSA-N 347.382 2.675 0 50 EFAA c1ccc(CCC[C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)cc1 71422215 GMHAFEKXUDAZLP-LJQANCHMSA-N 349.438 2.890 0 50 EFAA COc1ccccc1CC(=O)Nc1cc(OC)c(OC)cc1C(=O)O 4825589 WTIVYOKVOIUSNX-UHFFFAOYSA-N 345.351 2.592 0 50 EFAA Cn1ncc2c(NCCCc3csc(N)n3)nc(C(C)(C)C)nc21 72170427 CCVAGMRWCYTTPZ-UHFFFAOYSA-N 345.476 2.744 0 50 EFAA CCc1oc(C(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1C 330576872 PGJDBVVSLYAHLG-BXUZGUMPSA-N 346.349 2.822 0 50 EFAA COc1cc(/C=C/C(=O)N2C[C@@H](C)N[C@H](C)C2)cc(Cl)c1OC 153890592 AXWRPDCROBMBRW-IEVRTODYSA-N 338.835 2.579 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H](C)N1 154020215 NUVHJMUFXQHTCQ-VXGBXAGGSA-N 325.250 2.591 0 50 EFAA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(C(=O)O)o1 364929037 JHUQYKWYPLEGNP-BFQNTYOBSA-N 329.352 2.969 0 50 EFAA CC1=NN(CC(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 71753688 LZVLZNUBHVTDTG-HXUWFJFHSA-N 336.439 2.986 0 50 EFAA CC(C)(C)OC(=O)n1ccc2c(Cl)nc(N3CCOCC3)nc21 77011579 WXGLJIHPWSSLLQ-UHFFFAOYSA-N 338.795 2.705 0 50 EFAA C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 450962045 QBADIJAATXNVAT-KBRIMQKVSA-N 327.428 2.901 0 50 EFAA Cc1cccn2c(CC(=O)N3CCc4[nH]nc(C(C)C)c4C3)cnc12 32580981 RMRSAVJPPOSURJ-UHFFFAOYSA-N 337.427 2.617 0 50 EFAA CC[C@H](C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 123815655 FBMKNQYZAXYPDZ-HKUYNNGSSA-N 345.418 2.827 0 50 EFAA CC(=O)c1ncc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)s1 413198959 QUQWPZBVGDCIRI-UHFFFAOYSA-N 331.397 2.736 0 50 EFAA CC(C)N1CC[C@@H](N(C)S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 452100578 DWHBEKYRCGXTRF-UONOGXRCSA-N 338.464 2.556 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1sc2ccccc2c1C 219245177 IPHOSZGUGSLTBZ-XNISGKROSA-N 331.437 2.989 0 50 EFAA COCCN(CCCc1cnccc1C)Cc1c(C)nn(C)c1C 453614376 NOQOQRWLYFSGBC-UHFFFAOYSA-N 330.476 2.822 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 263080444 RCIGZTZGDOUPHU-QMMMGPOBSA-N 348.733 2.922 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cccc3[nH]ncc23)c1 337529618 ZQDOHWYPXPVRIK-UGSOOPFHSA-N 337.379 2.520 0 50 EFAA Cc1cc(N2CCCN(C(=O)Cc3sc(C)nc3C)CC2)ccn1 82121487 AMMVIHQFDFXGNG-UHFFFAOYSA-N 344.484 2.745 0 50 EFAA CCN(CCC1CCN(c2cnc(C(=O)O)cn2)CC1)CC(C)C 263432971 UFMPRVNPJPITAE-UHFFFAOYSA-N 334.464 2.759 0 50 EFAA CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ncnn1C 220012371 AWAAESIRVYKOKT-GFCCVEGCSA-N 326.322 2.644 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1c(C)noc1C)CC2 426574870 JHFQPHHTKHABJL-TXPKVOOTSA-N 348.443 2.870 0 50 EFAA O=C(N1Cc2ccccc2[C@H](O)C1)C1(N2CCCC2)CCCCC1 82114603 JHZDXWHALFTYNU-GOSISDBHSA-N 328.456 2.861 0 50 EFAA CN(C(=O)Cc1ccon1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 331689871 WRDZCFBSVOEFRZ-ZFWWWQNUSA-N 341.194 2.641 0 50 EFAA COC[C@H](NC(=O)c1ncn(C(C)(C)C)n1)c1cccc(Cl)c1 291448854 LBIMMODQQIJFKG-ZDUSSCGKSA-N 336.823 2.804 0 50 EFAA N[C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 333288321 NYQOWKDRXNBBCN-JSGCOSHPSA-N 342.892 2.689 0 50 EFAA Cc1nc(N)ccc1-c1ccc(C(=O)N(C)CC2(CO)CCC2)cc1 426382902 KCVZBHIAHBQUTI-UHFFFAOYSA-N 339.439 2.874 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3cnn(C)c3N)c2)C1 426431065 PRTGZVBKLRYNDF-INIZCTEOSA-N 342.443 2.701 0 50 EFAA Cc1cnn([C@H]2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)C2)c1 291985243 KFPJXUXDVYOWSZ-JKSUJKDBSA-N 333.819 2.742 0 50 EFAA CN(CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1)c1ccccc1 91441505 KYSJXQMUQKELMO-IBGZPJMESA-N 338.451 2.706 0 50 EFAA CN(C(=O)Nc1ccc(-c2nncn2C)cc1)C1CCSCC1 95500070 HUZQNZKYGPGVGH-UHFFFAOYSA-N 331.445 2.841 0 50 EFAA CS[C@@H](C)Cc1cn(Cc2ccc(-c3noc(C)n3)cc2)nn1 92020850 UOOGKXQQLGEGIP-NSHDSACASA-N 329.429 2.979 0 50 EFAA O=C1N(C2CCCCC2)CCC[C@]12CCN(c1nc(CO)cs1)C2 92077748 GLJZBUSRRKXGNX-GOSISDBHSA-N 349.500 2.787 0 50 EFAA Cn1cnnc1C1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95497913 DLEUBTDOWVBLDE-HNNXBMFYSA-N 326.444 2.636 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)c2cc(C)oc2C)CC1 95527291 RQQCFKWVQQILCJ-UHFFFAOYSA-N 331.416 2.759 0 50 EFAA COc1ccc([C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 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O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1(c2ccccc2F)CC1 1529126985 VZPCDSQUWAECRU-QAPCUYQASA-N 340.398 2.626 0 50 EFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)c2snnc2C)cc1 1529110064 KNPYVQTTZHIZQL-UHFFFAOYSA-N 343.412 2.816 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)c1cc2c(s1)CC[C@@H](C)C2 1704325115 DSOSCNHNPCACRP-LLVKDONJSA-N 333.457 2.539 0 50 EFAA CC(C)Cc1nc([C@H]2COc3ccccc3O2)n(-c2cnn(C)c2)n1 1772805233 ILVYSOYUOJYDGQ-MRXNPFEDSA-N 339.399 2.712 0 50 EFAA O=C1CC[C@@H](N2CCCN(C(=O)CCC3CCCCC3)CC2)CCN1 1775981064 HRWSDBAPGLWERF-GOSISDBHSA-N 349.519 2.550 0 50 EFAA COc1ccc(CN2CCC3(CC[C@H](CNC(C)=O)O3)CC2)cc1C 11967048 RDGMPKZOYZZHNQ-GOSISDBHSA-N 346.471 2.653 0 50 EFAA CCN(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 19145856 IDKDHGZNROYSMX-KRWDZBQOSA-N 341.459 2.819 0 50 EFAA c1ccc(Cc2cn(CC3CCN(Cc4c[nH]cn4)CC3)nn2)cc1 19300049 FIPOZFLDRZCUHX-UHFFFAOYSA-N 336.443 2.504 0 50 EFAA COc1cc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc(OC)c1O 19913674 KCMVERJEDVOOLT-MRXNPFEDSA-N 346.471 2.883 0 50 EFAA COc1c(C(=O)O)cc(-c2cnn(CC3CC3)c2)c(OC)c1OC 1875242243 PCQGASMNEYBGQF-UHFFFAOYSA-N 332.356 2.684 0 50 EFAA NC[C@H]1CC[C@H](NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1 638949316 AIAUHHYDHQITMO-MQMHXKEQSA-N 332.835 2.773 0 50 EFAA C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccsc1 669868773 IPPKODGCTMPIFS-SECBINFHSA-N 333.804 2.868 0 50 EFAA CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CNCCO1 150694473 XDVUKZIAVOKAOX-LBPRGKRZSA-N 346.349 2.811 0 50 EFAA CCc1c(C)nc(-c2ccc(CN3CC[C@@H](COC)C3)cc2)[nH]c1=O 23580875 QJOUSTZASKEJHD-MRXNPFEDSA-N 341.455 2.776 0 50 EFAA O=C(c1cc2c(Br)cccc2[nH]1)N1C[C@H](O)C2(CC2)C1 375289004 PKOYYVUIABHFNO-ZDUSSCGKSA-N 335.201 2.527 0 50 EFAA Cc1ccc([C@@H]2CCCN2C(=O)NCCNC(=O)c2ccccc2)o1 265214977 FHJLPKXDOPWBQU-INIZCTEOSA-N 341.411 2.865 0 50 EFAA Cc1cc(CN2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)on1 931839856 PNJOMSZFKZCJAV-SJORKVTESA-N 346.431 2.849 0 50 EFAA CN(CCC1CCOCC1)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 934554713 AQHADQWHCHNXPA-HNNXBMFYSA-N 330.428 2.778 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCc1cccc(Br)c1 237472390 SZYQUVWTXUYNEB-RISCZKNCSA-N 325.250 2.720 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Cc3cc[nH]n3)CC2)c1C 1875274813 FZXRQNARHRJZJF-UHFFFAOYSA-N 328.416 2.652 0 50 EFAA C=CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)[C@H](C)C(F)(F)F 1875388205 QNSUJOONOUGXSR-SNVBAGLBSA-N 335.347 2.556 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCOc3cc(F)ccc32)CC1 1875365065 LVSUUMDMWDRSQR-INIZCTEOSA-N 346.402 2.580 0 50 EFAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)NCc1cccc(Cl)c1F 1875346924 DUNGUZZDNYELJE-CYBMUJFWSA-N 346.793 2.542 0 50 EFAA CC(=O)N1CC[C@@]2(CCCC[C@@H]2NC(=O)c2cccc3c2OCC3)C1 1875336381 YMMABFPNMNHONO-PXNSSMCTSA-N 342.439 2.533 0 50 EFAA Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 885748263 LLBFWFFPVRIPBB-OAHLLOKOSA-N 344.436 2.503 0 50 EFAA COC[C@]1(NC(=O)[C@H]2CCC(F)(F)C2)COc2ccccc2C1 888100643 ZNDPOADXNQQRJP-BBRMVZONSA-N 325.355 2.558 0 50 EFAA C[C@]1(C2CC2)COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 890581353 KOUQETWOXMSQMM-QGZVFWFLSA-N 347.440 2.758 0 50 EFAA C[C@@H]1CCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O 897504394 WTDBFJJYMCRPMA-NTDBWNAOSA-N 337.508 2.586 0 50 EFAA CC(C)Cc1coc(NC(=O)c2cc(-c3ccncc3)nn2C)n1 899955343 SMNDVAKBBLISSV-UHFFFAOYSA-N 325.372 2.921 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)o1 238001277 SVKHZUFQIHZEPP-AWEZNQCLSA-N 329.352 2.657 0 50 EFAA Cc1nn(Cc2conc2C2CCC2)c(C)c1[C@@H]1COCCN1C 2325772458 YOOILLVORZOFJM-INIZCTEOSA-N 330.432 2.807 0 50 EFAA CNc1ccnc(CN=c2[nH]cc(Br)c3cccnc23)c1 2325859123 PABOHAWRPAQCCG-UHFFFAOYSA-N 344.216 2.863 0 50 EFAA O=C1Cc2cccc(NS(=O)(=O)c3ccc(C4CC4)cc3F)c2N1 2325866248 FPCFWBIVURJQCX-UHFFFAOYSA-N 346.383 2.999 0 50 EFAA O=C(O)C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 151350 YUIVXBUAFURPCL-UHFFFAOYSA-N 325.290 2.950 0 50 EFAA Cc1c(NC(=O)c2cc(C3CC3)on2)c(=O)n(-c2ccccc2)n1C 2465714 JPQZAGAMLWDMCF-UHFFFAOYSA-N 338.367 2.602 0 50 EFAA CCCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 2997323 WBZWRWGYXXQZSL-UHFFFAOYSA-N 342.399 2.770 0 50 EFAA Cn1nnnc1Sc1c(-c2ccccc2)c2ccccc2[nH]c1=O 6703194 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Cc1ncc(C(=O)N2CCCC[C@H]2CCc2cccs2)c(=O)[nH]1 102018323 WIKQTCWKACTLOH-ZDUSSCGKSA-N 331.441 2.767 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 248129485 MVFLOJXPGOCWPA-ZWKOTPCHSA-N 342.418 2.710 0 50 EFAA O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@@H]1CO 118572225 BVCGCKOCWZSWQR-CQSZACIVSA-N 345.374 2.679 0 50 EFAA Cc1ccc(C(=O)NCc2sccc2C)cc1N1CCNC1=O 65384216 ZWBBXRTXEPPXKB-UHFFFAOYSA-N 329.425 2.825 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 20513071 HLACUMSRMWOVTE-LJQANCHMSA-N 344.430 2.696 0 50 EFAA COCCOC1CCC(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)CC1 331863488 FZFZNTRZQFYACW-CHPDAQJUSA-N 347.455 2.543 0 50 EFAA Cc1cc(CN2CC[C@H](CNC(=O)c3ccc(C)c(C)c3)C2)on1 67677488 QIITWBYHNAWTNF-MRXNPFEDSA-N 327.428 2.852 0 50 EFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3ccncc3C)[nH]c2C1 65502706 HUFCVTBSHRXJEA-CYBMUJFWSA-N 348.406 2.858 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1 11873551 YUIMKTDTVPNIDP-INIZCTEOSA-N 334.464 2.890 0 50 EFAA CC(C)(C)OC(=O)N1CCN(CCCF)CCN(CCCF)CC1 328597677 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Cc1ccc(C(=O)N2CCC(c3nncn3C)CC2)c(C(C)C)n1 448672224 ATAVBTSFIJXPIC-UHFFFAOYSA-N 327.432 2.662 0 50 EFAA c1cnc(Oc2ccc(CN3CCC[C@H](c4nc[nH]n4)C3)cc2)cn1 371332221 NWZUGLNLTRURFI-HNNXBMFYSA-N 336.399 2.767 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 238021533 XCNOOPAPOYQTEQ-CYBMUJFWSA-N 345.374 2.728 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1 378094963 PIPDFSSAMQSZGL-MJGOQNOKSA-N 345.487 2.747 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2ccc(CC(=O)O)c(F)c2)n1 263170931 JIWJQDSNGVHMNU-UHFFFAOYSA-N 335.335 2.531 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cscn3)CC2)OC1=O 77470689 CHSUOMUPCJSICR-LBPRGKRZSA-N 337.445 2.759 0 50 EFAA O=C(c1ccc2sccc2c1)N1CCC[C@@](O)(CN2CCCC2)C1 77455867 RESUWZGYDXVLLJ-LJQANCHMSA-N 344.480 2.964 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@](C)(O)CC2)nn1-c1cccc(F)c1 376082090 NPUFSPBFBSEOFO-GOSISDBHSA-N 346.406 3.089 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)nc(N)n1 82161128 MWCBBUAELBUYMT-QGZVFWFLSA-N 348.454 2.996 0 50 EFAA Cc1ccc2oc(N3CCC(c4nc(N(C)C)n[nH]4)CC3)nc2c1 288390660 JRSFNPJBSRGYNA-UHFFFAOYSA-N 326.404 2.704 0 50 EFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1C[C@H]1C(=O)O 263581449 XEMSLKASTWNAJP-YNEHKIRRSA-N 327.302 2.993 0 50 EFAA C[C@H](O)c1cn(C2CCN(c3nc4ccccc4s3)CC2)nn1 19731993 BGQGKLIBMGVMDO-NSHDSACASA-N 329.429 2.783 0 50 EFAA COC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccnn1C 223845819 VSBVGFCHXRZYPE-HNNXBMFYSA-N 347.846 2.999 0 50 EFAA C[C@H]1CCc2sc(C(=O)N3CCC(N4CCOC4=O)CC3)cc2C1 91643472 NIHSZYZUNNLTDI-LBPRGKRZSA-N 348.468 2.930 0 50 EFAA CC1(C)SC[C@H](C(=O)N(Cc2ccccc2)CC2CCC2)NC1=O 97600896 YQXSJYNVMAPEIR-MRXNPFEDSA-N 346.496 2.826 0 50 EFAA CCCn1ccnc1CNC(=O)c1cccc([C@@H]2CCCNC2)c1 95375873 QFWIYZKKCQDNMB-QGZVFWFLSA-N 326.444 2.690 0 50 EFAA CN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 180473213 AKSGGJAKLASOPU-HNNXBMFYSA-N 346.862 2.697 0 50 EFAA CC(C)c1nnc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)s1 96179846 KTCXIHISUMAYBU-CXAGYDPISA-N 331.441 2.636 0 50 EFAA CO[C@@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 95366031 APZBXQAEZAJVQY-GOSISDBHSA-N 342.439 2.897 0 50 EFAA O=C(NCCN1CCc2ccccc21)c1c[nH]nc1-c1ccccc1 91793074 TUGOOXQGVOXUFY-UHFFFAOYSA-N 332.407 2.869 0 50 EFAA COCCOc1cc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)ccn1 181565225 QHOISTCAEHQBHJ-CQSZACIVSA-N 342.395 2.843 0 50 EFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCCC2 244828510 TXIYVWLDSXONLM-VBQJREDUSA-N 325.412 2.531 0 50 EFAA Cc1nccn1CC1CCN(Cc2nc(-c3ccco3)no2)CC1 244840288 UKMSQNGDLVUXQT-UHFFFAOYSA-N 327.388 2.747 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244742224 OEAGPSBJMQDMRN-AGKSTNPPSA-N 335.407 2.734 0 50 EFAA COc1cc(C)sc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252552091 UNPWOCYTBOXBTQ-LALPHHSUSA-N 332.425 2.702 0 50 EFAA O=C(c1cccs1)[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 252489298 JNURYMFQQGPKKJ-AWEZNQCLSA-N 348.468 2.572 0 50 EFAA COc1ccc(C(=O)N[C@H](c2ncccc2C)C2CC2)c(OC)n1 299797834 PLDOTNQFPWVQAQ-INIZCTEOSA-N 327.384 2.683 0 50 EFAA Cc1nc2ccc(C(=O)NC[C@@H]3Cc4ccccc4CN3C)cc2o1 584885938 OKIZGVVOCIHBMU-KRWDZBQOSA-N 335.407 2.923 0 50 EFAA Cn1ccn2ncc(C(=O)N[C@@H](CC(C)(C)C)c3cccnc3)c12 670435775 PCMNEWUMJYZYON-HNNXBMFYSA-N 325.416 2.975 0 50 EFAA Cc1noc([C@@H](NC(=O)c2cccc(C(F)(F)F)n2)C(C)C)n1 1361694977 VXGVQQXIGSJHHZ-NSHDSACASA-N 328.294 2.919 0 50 EFAA CCSc1ccccc1NC(=O)c1cn(C[C@H]2CCCNC2)nn1 952974221 QVNGYRLGZQNJHE-ZDUSSCGKSA-N 345.472 2.642 0 50 EFAA Cc1nc2ccccc2n1CC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952980181 DHJRMVLGVHGICX-LLVKDONJSA-N 349.394 2.913 0 50 EFAA C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@@H](c2ccccc2)CO1 185960215 JWYFJXMNFKPICY-SCLBCKFNSA-N 338.407 2.855 0 50 EFAA CCc1ccccc1-n1cc(O)c(C(=O)Nc2nc(C)ns2)n1 170656836 PSBJRFASDQRAHE-UHFFFAOYSA-N 329.385 2.553 0 50 EFAA CC(C)n1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cn1 170605047 YPHWVJDJHSFJBT-ZDUSSCGKSA-N 327.384 2.599 0 50 EFAA O=C(NCCCCn1cc(Br)cn1)c1cccs1 279562879 YEWXOLFGHZSMTB-UHFFFAOYSA-N 328.235 2.917 0 50 EFAA CC(C)c1c(C(=O)NCc2nnc[nH]2)cnn1-c1ccccc1Cl 190060982 KCOKRQNEZZINCZ-UHFFFAOYSA-N 344.806 2.697 0 50 EFAA Brc1ccc(CN2CCC(Cn3cncn3)CC2)o1 191534428 ZLUWSFYSOJORFF-UHFFFAOYSA-N 325.210 2.546 0 50 EFAA CC(C)c1cc(NC(=O)[C@H]2CCCO[C@H]2C)n(-c2ncccn2)n1 191634008 JYUBOCAGLNPNLR-STQMWFEESA-N 329.404 2.539 0 50 EFAA CC(=O)N1CCCN(C(=O)Nc2cc(F)ccc2OCC2CC2)CC1 191749317 AKXVFARUCBPKPT-UHFFFAOYSA-N 349.406 2.701 0 50 EFAA COc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cn1 192886380 OBRGDBCGUHVXIE-UHFFFAOYSA-N 336.388 2.583 0 50 EFAA C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 195551659 DTYQXVLCKIQUCK-UZLBHIALSA-N 325.456 2.939 0 50 EFAA O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1snc(O)c1Cl 655336048 BVARFQYAZLEXBY-PHDIDXHHSA-N 344.742 2.732 0 50 EFAA CCOCCN1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 1198071635 VXOCBLITCBOKNZ-UHFFFAOYSA-N 343.471 2.969 0 50 EFAA Cc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c(C)o1 212715598 AFDPXUOORZUWHK-CVEARBPZSA-N 331.343 2.976 0 50 EFAA COCC1(C(=O)N2CCCN(C(=O)Nc3ccccc3)CC2)CCC1 1775981663 BYMREGJMRPBIEY-UHFFFAOYSA-N 345.443 2.570 0 50 EFAA Cc1cc(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)on1 12026269 BHWSHWUBBQWCID-UHFFFAOYSA-N 345.790 2.548 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 12138289 PYKSDKLXYRXBAF-UHFFFAOYSA-N 326.396 2.634 0 50 EFAA CC(C)c1nccn1Cc1cc(C(=O)N(C)Cc2ccco2)n[nH]1 12299991 GWOPIXALKBYIHC-UHFFFAOYSA-N 327.388 2.643 0 50 EFAA Cc1c(CNCc2cccnc2N2CCc3ccccc3C2)cnn1C 12710483 CTLWDPPBQWGHNN-UHFFFAOYSA-N 347.466 2.976 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccn2)CC1 18254694 FOBFJXVWYLSSLA-UHFFFAOYSA-N 345.830 2.771 0 50 EFAA CC(C)[C@H]1CN2C[C@@H](NC(=O)CC(C)(C)c3ccccc3)C[C@H]2CO1 1875246025 XOGUKPZXHLBPFI-GBESFXJTSA-N 344.499 2.968 0 50 EFAA Cc1nnc([C@H]2COCCN2Cc2cscc2Br)o1 408524371 SVNJCMSTKLQGFQ-LLVKDONJSA-N 344.234 2.776 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(N)s2)cc1Cl 2626785 NYOYCMNRKWUNBW-UHFFFAOYSA-N 330.822 2.513 0 50 EFAA Cc1c([C@@H](NC(=O)N2CCNC(=O)CC2)C(C)C)oc2ccccc12 112217335 WEAGYSTUJQJEAF-KRWDZBQOSA-N 343.427 2.970 0 50 EFAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H]3CCCC[C@H]32)ccc1F 230133077 VLXOYQCSCCQKMZ-MLGOLLRUSA-N 340.420 2.737 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1 238080693 IRVSBKJCQHGCQH-SNVBAGLBSA-N 338.157 2.885 0 50 EFAA Cc1cccn2c(CN[C@@H](c3nccn3C)C3CCOCC3)cnc12 343394306 RGPHAAHVASXMKY-QGZVFWFLSA-N 339.443 2.634 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc3cc(C)oc13)C2 253594387 ZRDZBCUEJNKCTO-RDJZCZTQSA-N 342.439 2.924 0 50 EFAA CN(Cc1cccc(F)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363582961 PBOAOKOQFVAYFD-INIZCTEOSA-N 332.379 2.865 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@](F)(CO)C1 376565549 NKQKNXXYHYMSKG-SFHVURJKSA-N 330.359 2.811 0 50 EFAA Fc1ccc([C@H](CNc2ncnc3[nH]ccc23)N2CCOCC2)cc1 263718842 ATQVDUROLIMUNA-INIZCTEOSA-N 341.390 2.582 0 50 EFAA COCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 496955143 HGXCZGQIZRSLQH-CABCVRRESA-N 340.464 2.661 0 50 EFAA CNc1ccc(C)cc1CN[C@H]1CCCN(c2ccc(C)nn2)C1 902208180 FFJKROJUIANKOQ-KRWDZBQOSA-N 325.460 2.894 0 50 EFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncsc1Nc1ccccc1 910390662 VKLBIOQVZAJWEP-FRRDWIJNSA-N 343.408 2.964 0 50 EFAA Cc1cnc([C@]2(NC(=O)c3cc(F)c(Cl)cc3F)CCOC2)[nH]1 818667624 CQYNKZNZUSWWLI-HNNXBMFYSA-N 341.745 2.695 0 50 EFAA Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 839897800 RKPOYRNVHGGXJH-PBHICJAKSA-N 343.814 2.793 0 50 EFAA CN(C[C@H]1OCCc2sccc21)C(=O)c1cc(C(F)F)ncn1 829332439 JDLLCFJMONFGHC-GFCCVEGCSA-N 339.367 2.862 0 50 EFAA CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 928996468 UBIGXOFVHNPKLP-ZIAGYGMSSA-N 341.496 2.526 0 50 EFAA O=C(O)[C@H](CN[C@H]1CCc2cc(F)c(F)c(F)c21)C1CCOCC1 863744866 JVXZRLCWWHNCMS-YPMHNXCESA-N 343.345 2.808 0 50 EFAA C[C@@H](Nc1nc(N)nc2c1cnn2C)c1ccc(C(F)(F)F)nc1 872766581 MVLNKJFDFBFUMO-SSDOTTSWSA-N 337.309 2.532 0 50 EFAA CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1nc(C2CCOCC2)n[nH]1 952993080 VSBKFUQFWWXTRY-ZFWWWQNUSA-N 334.464 2.716 0 50 EFAA O=C(Nc1cccc(Cl)c1Br)NN1CCC(O)CC1 1875288960 NFRJQTLHDYQCGK-UHFFFAOYSA-N 348.628 2.596 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@@H](CO)C[C@H]21)c1c2c(nc3ccccc13)CCC2 1875274542 HEUXGUGZEQLESX-XBQLXHJASA-N 336.435 2.860 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2noc(CC3C[C@@H]4C[C@H]4C3)n2)cc1 1875290737 AZJYAYPKKVKVCX-CHWSQXEVSA-N 333.413 2.697 0 50 EFAA CC(C)c1ccc(-n2cc(C3(F)CN(C(=O)[C@H]4C[C@@H]4F)C3)nn2)cc1 1875353764 FSQJVBSDOQSTDN-GJZGRUSLSA-N 346.381 2.756 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@H]2OCCCC2(C)C)cc1 1875373957 WBADLXVVHICNKA-MRXNPFEDSA-N 330.428 2.770 0 50 EFAA C=CC(=O)N(Cc1cccc(Cl)c1C(F)(F)F)[C@@H]1COC[C@H]1O 1875388340 XHJOEHHPIWILMJ-VXGBXAGGSA-N 349.736 2.633 0 50 EFAA CCc1cc(NC[C@@H]2CC(=O)N(CC)[C@H]2c2cccnc2)nc(C)n1 886029009 ALNLUSSPABOBOS-KXBFYZLASA-N 339.443 2.764 0 50 EFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2occc2Br)C1 644807827 GOYIRPXXJDAIFA-XPUUQOCRSA-N 341.127 2.536 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(C(=O)O)cc1 2325793301 PCPRTXRCRHIONP-RISCZKNCSA-N 345.424 2.688 0 50 EFAA Cc1cc(C)n(-c2ccnc(NC[C@@H](N)c3ccc(F)cc3)n2)n1 2325858141 ANGAIJSWVHTJSC-OAHLLOKOSA-N 326.379 2.530 0 50 EFAA CN(C)C(=O)c1ccc(Cl)cc1NCc1noc2c1COCC2 901373125 GTVCIVNOSRRNKN-UHFFFAOYSA-N 335.791 2.715 0 50 EFAA Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)ccc1Cl 126193866 ALLSZFODKYDEOL-UHFFFAOYSA-N 338.816 2.689 0 50 EFAA Cc1ccccc1OCC(=O)Oc1ccc(N2C(=O)CCC2=O)cc1 267961 FFYSAXKAEIGURF-UHFFFAOYSA-N 339.347 2.633 0 50 EFAA CC(F)(F)[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccncc1 270159 NUGPIZVQCOBORF-KRWDZBQOSA-N 331.322 2.676 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 439171 GSZLOIYEHVCPAS-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA CCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 477900 XEUVJZJSYWTKAL-UHFFFAOYSA-N 337.379 2.579 0 50 EFAA Nc1cc(N)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 620666 VTSJVQCINSLFJM-UHFFFAOYSA-N 344.227 2.679 0 50 EFAA OCCn1nc(C2CCOCC2)nc1-c1ccc2cccc(F)c2n1 2356143151 WLYAPBSCWSCCCY-UHFFFAOYSA-N 342.374 2.519 0 50 EFAA CN(C(=O)c1cc2c(Cl)cccc2[nH]1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356145110 BAIXUFQHAHBOCK-TUAOUCFPSA-N 345.830 2.808 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4nccn4c3)C1)CC2 2356157839 SWSHOIGVVVQBRB-FQEVSTJZSA-N 347.422 2.553 0 50 EFAA Cc1cc(C)n(C(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)n1 4279554 DJRWDCJBQDBCSD-UHFFFAOYSA-N 347.374 2.980 0 50 EFAA O=C(NCCc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1 4976318 MIARAAPROHJCGN-UHFFFAOYSA-N 344.386 2.630 0 50 EFAA CCn1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 6700287 BINBKZHTRDIWNW-UHFFFAOYSA-N 342.487 2.630 0 50 EFAA CCCNc1c(NC(=O)NC[C@@H]2CCCO2)c(=O)oc2ccccc12 6746848 CEKANMAJCHHNQR-LBPRGKRZSA-N 345.399 2.915 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2C)cc1 10367985 ADYVZDDJZIYUJQ-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 8235093 UDFOQLLVBHKTPJ-NXEZZACHSA-N 345.226 2.815 0 50 EFAA CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 8755696 FHIVXSWLABGDKB-GFCCVEGCSA-N 344.440 2.709 0 50 EFAA CCCn1ncnc1[C@H](C)NC(=O)COc1c(C)ccc(C)c1C 55402941 GSNQLMRKQALAHJ-HNNXBMFYSA-N 330.432 2.870 0 50 EFAA Cc1ccc2nc3c(n2c1)[C@@H](c1cnc(C(C)(C)C)nc1)CC(=O)NC3 65535378 ZIIOEKMZPHHTSD-CQSZACIVSA-N 349.438 2.882 0 50 EFAA Cc1ccc(CN2CCC(CNC(=O)c3ccncc3C)CC2)o1 67539847 ZHNLPKVBMKNOQT-UHFFFAOYSA-N 327.428 2.933 0 50 EFAA CS(=O)(=O)c1nnc(CN(Cc2ccco2)c2ccccc2)s1 348309499 GVKMNZAQUFRABY-UHFFFAOYSA-N 349.437 2.741 0 50 EFAA CN(Cc1cc[nH]n1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 20137377 BYBKHOMXMRBFBA-KRWDZBQOSA-N 330.451 2.935 0 50 EFAA CN(c1cccc(C(=O)N2CCCc3ccccc32)c1)S(C)(=O)=O 65362665 GWYOOAOULDZENU-UHFFFAOYSA-N 344.436 2.675 0 50 EFAA Cc1cc(Cl)ccc1OC[C@@H](O)CN(CCO)Cc1ccccc1 22147111 FJZSPVYGGKOIHV-SFHVURJKSA-N 349.858 2.883 0 50 EFAA O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(O)cc(C(F)(F)F)c1 356406472 MKOVLLNMCIALSJ-LSDHHAIUSA-N 343.345 2.981 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)C[C@@H](C)O1 229518711 LNVLGHSBGISHRV-IIYDPXPESA-N 338.398 2.679 0 50 EFAA COc1cccc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)c1 230193823 LJHSMOGCVIWVPA-HZPDHXFCSA-N 329.400 2.889 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)c1c(-n2cnnn2)sc(C)c1C 65451915 FQFNGDHQXWIWNA-VIFPVBQESA-N 345.432 2.760 0 50 EFAA CCCC(=O)N1CCC(C(=O)N(CC)[C@H]2CCOC(C)(C)C2)CC1 354591878 AZNPRCNUPDQBKN-INIZCTEOSA-N 338.492 2.831 0 50 EFAA COc1cc(F)cc(NC(=O)N2CCN(c3ccncc3)CC2)c1 124700543 UJHRRERAWILJBI-UHFFFAOYSA-N 330.363 2.583 0 50 EFAA Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)o1 328640932 XQFCWMVJPJLULT-DOTOQJQBSA-N 344.459 2.785 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)on1 328632945 LPKVSOKMYUNMLK-MRXNPFEDSA-N 328.416 2.505 0 50 EFAA CCOC(=O)[C@@]1(C)CCN(C(=O)c2ccc3nc(S)oc3c2)C1 124103282 PIDDLQQOBOURKP-INIZCTEOSA-N 334.397 2.532 0 50 EFAA COc1ccc(CN2CCC([C@H](C)N3CCOCC3)CC2)cc1C 72433036 JESOJDXPMHHJET-KRWDZBQOSA-N 332.488 2.936 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1nccn1Cc1ccccc1 77421876 ANTXFTCZVVXSKU-SFHVURJKSA-N 340.471 2.764 0 50 EFAA Cc1nc(C)n(C[C@@H]2CN([C@H]3CCCc4ccccc43)CCO2)n1 257365694 GZYTYSHDGUADBS-HKUYNNGSSA-N 326.444 2.673 0 50 EFAA CCc1nccn1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1 219186672 UOQXOIULXYFNSW-UHFFFAOYSA-N 344.434 2.760 0 50 EFAA Cn1c(N2CCC[C@](O)(C(F)(F)F)CC2)nc2c(F)cccc21 376261968 KGQJIRYJRMEBLY-CQSZACIVSA-N 331.313 2.996 0 50 EFAA CCn1ncc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1-c1ccccc1 365261696 DFJXJPAAHRLVOL-AWEZNQCLSA-N 335.411 2.580 0 50 EFAA O=Cc1ccccc1OCC(=O)N1CCC(c2nccs2)CC1 363461604 UUAMBBWMXOKULV-UHFFFAOYSA-N 330.409 2.741 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@H](COc2cccc(F)c2)C1 77420979 JEQSZZPGLUHNKW-HNNXBMFYSA-N 331.391 2.730 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)[C@H](C)c3c(C)n[nH]c3C)c12 132481584 QMXFUTSLMIVOCE-LLVKDONJSA-N 340.427 2.979 0 50 EFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C(=O)O)C1 237687880 XRDWHUXGDVXGFQ-LLVKDONJSA-N 334.372 2.804 0 50 EFAA Cc1nc(C)c(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)s1 38715781 SQDUCDSTRLOVAE-UHFFFAOYSA-N 329.425 2.833 0 50 EFAA O=C(c1cccnc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72152523 OPDMREUJZSPALO-VAMGGRTRSA-N 333.435 2.784 0 50 EFAA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2c(C)cnn2C)c1 286156042 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EFAA Cc1cc(C)c2c(c1)CN(C(=O)[C@@H]1CCO[C@H]1c1nccn1C)CC2 285193611 NQFKSSTWJJLWHW-QZTJIDSGSA-N 339.439 2.699 0 50 EFAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2nccc3ccccc23)C1 286444653 QIRACZNIQLRQDN-IRXDYDNUSA-N 339.439 2.560 0 50 EFAA CCN(Cc1ccncc1)C(=O)N[C@H]1COc2ccc(F)cc2C1 290949049 LTLMXCBZMWVUSD-MRXNPFEDSA-N 329.375 2.756 0 50 EFAA C[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O 263432706 KZLOLSYDAYUTFR-SUMWQHHRSA-N 345.370 2.747 0 50 EFAA COc1cccc2c(N3CCC[C@H](N(C)CC(=O)O)CC3)ccnc12 263543576 FIJYUSXBKGSHFJ-AWEZNQCLSA-N 343.427 2.619 0 50 EFAA O=C(C[S@@](=O)Cc1nccs1)NC1(c2ccccc2)CCC1 160418746 CTUJBLZDZFMCJB-QFIPXVFZSA-N 334.466 2.587 0 50 EFAA COc1cc(C(=O)N[C@H](C)c2nncn2C2CCCC2)ccc1O 223914624 GPWUKUMYGWOVDF-LLVKDONJSA-N 330.388 2.598 0 50 EFAA CCN1CC[C@@H](CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)C1 426535907 PSCYTNXMAKHQCQ-HNNXBMFYSA-N 342.443 2.825 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 222266787 VJAGVYGZTAXZSN-NSHDSACASA-N 329.787 2.653 0 50 EFAA COc1ccc(CN2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)cc1O 82120420 WUEKVGBJLGOVNK-OAHLLOKOSA-N 340.423 2.947 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1 178267032 LDYDTFRTXHVNML-LLVKDONJSA-N 328.343 2.798 0 50 EFAA C[C@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCOCC1 426359914 NYNBAOHUJZREDZ-CQSZACIVSA-N 335.411 2.927 0 50 EFAA Cc1ccc(OCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)c1 179356918 HRJVIVHRIBYYHJ-HNNXBMFYSA-N 328.416 2.944 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)c2cc(Cl)cc(OC)c2)C1 91998137 QREIQQWRLQQGJN-QGZVFWFLSA-N 341.835 2.600 0 50 EFAA O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)N1CCNCC1 426606822 XEWJVCLGSCJRPA-MRXNPFEDSA-N 331.391 2.556 0 50 EFAA COc1cccc(-c2cc(C(=O)NCC[C@H](C)n3ccnc3)n[nH]2)c1 91304441 FFFCEAQYXYFDRO-ZDUSSCGKSA-N 339.399 2.663 0 50 EFAA CNC(=O)Cc1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1 95512602 IIQQMQJYBBOLMU-MRXNPFEDSA-N 325.408 2.778 0 50 EFAA CCCc1nc(C)cc(N2CCC(NCc3cc(C)on3)CC2)n1 95526113 RKNQFJBIOJSULS-UHFFFAOYSA-N 329.448 2.793 0 50 EFAA COc1ccc2c(c1)OC[C@H](Cc1ncccc1C(=O)N(C)C)C2 91643812 JAHWCWRRJSQBGA-ZDUSSCGKSA-N 326.396 2.586 0 50 EFAA CN(CCc1ccnn1C)Cc1cc(F)ccc1Br 239672783 BVGMWHBFOIPGAQ-UHFFFAOYSA-N 326.213 2.996 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2[nH]1 97772923 KICMDPZCDXGSHK-LLVKDONJSA-N 332.367 2.839 0 50 EFAA Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@@H](C)N)C3)c2C)no1 237360178 HRYQCEAVQBBMBF-HIFRSBDPSA-N 330.432 2.590 0 50 EFAA COCCc1ncc(-c2cc(C(=O)N(C)C)c3ccccc3n2)cn1 23398892 UPESESRUFVMGGH-UHFFFAOYSA-N 336.395 2.583 0 50 EFAA COc1cc2c(cc1C(=O)N1CCC[C@H](c3ncc[nH]3)C1)CCC2 95526075 GDRGESASDDECKT-HNNXBMFYSA-N 325.412 2.927 0 50 EFAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91587350 CISVQCSLBNXPMF-HNNXBMFYSA-N 327.428 2.786 0 50 EFAA CC(=O)c1cc(C(=O)NCc2csc(N3CCCC3)n2)cs1 96136295 QMYJHXWGLNAMKM-UHFFFAOYSA-N 335.454 2.937 0 50 EFAA COc1ccc2c(c1)CCN(Cc1nnc(-c3cccnc3)o1)CC2 95376685 BTEOOAMNGUEUPF-UHFFFAOYSA-N 336.395 2.741 0 50 EFAA CC(=O)Nc1cccc(NC(=O)CCN2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1 240825085 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2.932 0 50 EFAA CC(C)CC(=O)N1CCC[C@@H](c2ncc(Br)cn2)C1 1363956685 BFXPGNPHTQYFTO-LLVKDONJSA-N 326.238 2.991 0 50 EFAA O=C(O)[C@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 268971751 HMTXMZBPUXYZRU-GOSISDBHSA-N 339.391 2.521 0 50 EFAA CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N1CCCCC1 171485196 ATDYGWGXDCCILR-SFHVURJKSA-N 341.459 2.775 0 50 EFAA O=S(=O)(NCCCSCc1ccc(F)cc1)N1CCCCC1 1506428125 MTQNZDYEKJWGMJ-UHFFFAOYSA-N 346.493 2.769 0 50 EFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)N(C)C)CC2 275683716 MMNXZGLPRPQERD-OAHLLOKOSA-N 335.473 2.633 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 408473697 DINSLJPJXYAFBA-WMLDXEAASA-N 331.460 2.741 0 50 EFAA Cc1ccnc(O)c1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 305872078 OZDIQXOHMSYSAU-CVEARBPZSA-N 344.386 2.963 0 50 EFAA Cn1nccc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 188915709 JVROPDAMEFRTIC-UHFFFAOYSA-N 340.427 2.720 0 50 EFAA C[C@@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@H](C)CO 189714774 RORRRKGQSHBUGK-CHWSQXEVSA-N 328.412 2.534 0 50 EFAA O=C([C@@H]1CC=CC[C@@H]1c1nc(-c2cccs2)no1)N1CCOCC1 190129610 QMLGICGNJDUOBH-QWHCGFSZSA-N 345.424 2.707 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc2c1OCO2 190429993 IASJKFGZPMJZKD-YOEHRIQHSA-N 329.400 2.642 0 50 EFAA CSc1cc(O)ccc1NC(=O)[C@@H]1COCCN1CC1CCC1 191551853 CFHWIQDJPXDUSO-HNNXBMFYSA-N 336.457 2.554 0 50 EFAA CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ncnc2onc(C)c12 192499333 DTQNNXJPZRFCJT-UHFFFAOYSA-N 339.399 2.655 0 50 EFAA CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2cccc(O)c2)ncn1 194921552 VVFGZQLJTZRXHY-DZGCQCFKSA-N 327.432 2.544 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 195464071 DIWWUWVLVJKLTL-CJNGLKHVSA-N 341.473 2.733 0 50 EFAA Cn1nccc1[C@@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1 653499404 KPCUZGIBJIIKRC-MRXNPFEDSA-N 336.439 2.652 0 50 EFAA Cc1cnc(C)c(N2CCCN(C(=O)c3ccc(F)cc3F)CC2)n1 195563842 ODYFMNXEGJATKP-UHFFFAOYSA-N 346.381 2.724 0 50 EFAA CC(C)(C)n1cnc(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)n1 654037789 WXYGJEGBOLHHPE-UWVGGRQHSA-N 349.357 2.655 0 50 EFAA Cc1cc(F)ccc1C[C@H](C)NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 661496059 LHJNIHCVOFDCKT-KMCQBPLKSA-N 334.435 2.868 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nc(O)c2cnn(C)c2n1 680972433 DRPUMWSYDLARSP-SECBINFHSA-N 329.408 2.502 0 50 EFAA Cc1cccc(CN(Cc2nc(C(=O)O)co2)C[C@@H]2CCCO2)c1 1529190951 QFXIDGQBDUDKSC-HNNXBMFYSA-N 330.384 2.862 0 50 EFAA C[C@H](C(=O)N1CCCN(Cc2ncc[nH]2)CC1)c1ccc(Cl)cc1 1529166915 DTHHDOJMQGZALA-AWEZNQCLSA-N 346.862 2.901 0 50 EFAA COCCN1CCC[C@@H](CNc2ccc(-c3ccccc3)nn2)C1 1529114587 QMLBXMDTQCRBRL-INIZCTEOSA-N 326.444 2.914 0 50 EFAA O=C(c1ccncc1Br)N1CCSc2ccncc21 157047302 HMKNZFHPLIFMHZ-UHFFFAOYSA-N 336.214 2.992 0 50 EFAA Cc1cccc(-c2nc(CN3CCC([C@@H](O)CO)CC3)c(C)o2)c1 1772813251 YSUVMWZOTIKWSK-SFHVURJKSA-N 330.428 2.524 0 50 EFAA CC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)c1 5050031 OROJCKVNCMQCJR-UHFFFAOYSA-N 331.393 2.610 0 50 EFAA COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1 5998752 KQFUXLQBMQGNRT-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 12865131 GJPRUHXBTYJTBM-UHFFFAOYSA-N 346.427 2.681 0 50 EFAA CC[C@H](COC)NC(=O)c1cc(COc2ccc(F)cc2F)on1 14949496 FFWMJOGSPYXQGV-LLVKDONJSA-N 340.326 2.687 0 50 EFAA CSCCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 15066095 RUBMQVVLEOBQKA-SFHVURJKSA-N 347.528 2.553 0 50 EFAA CCOc1ccc(Br)cc1S(=O)(=O)n1ccnc1C 16579143 WYLIBCSUDBRHJJ-UHFFFAOYSA-N 345.218 2.590 0 50 EFAA O=C(N[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21)[C@H]1Cc2ccccc2CN1 1857529960 WXJJHIKVSFJILL-WZGPROSRSA-N 338.838 2.809 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)C1 1857531991 XPTDPAVYCLIJPC-HLLBOEOZSA-N 349.402 2.834 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)COc1cccc(Cl)c1)CCC2 1857666791 UDHGLFBMEMXJQO-AWEZNQCLSA-N 333.819 2.955 0 50 EFAA CCC[C@@]1(CO)CN(Cc2ccccc2OC(F)F)CC[C@H]1O 1857720507 XELKISQCGXBULW-WBVHZDCISA-N 329.387 2.633 0 50 EFAA CC(=O)N1CCN(C(=O)Cc2nc(C(C)C)c(C)s2)C(C)(C)C1 408447965 LSZDANAPYVVEAK-UHFFFAOYSA-N 337.489 2.587 0 50 EFAA CCOC(=O)[C@H]1CCN(C(=O)c2nc(C)oc2C)c2ccccc21 410793338 QSWLCTFEDDPPNK-AWEZNQCLSA-N 328.368 2.989 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2ccnc21 333222768 WXAOWZSPQSKYBC-CMPLNLGQSA-N 325.821 2.829 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 128521940 GSRIXWNNQXJULM-NSHDSACASA-N 334.759 2.932 0 50 EFAA CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 242001152 VDHNRQCZDTUOFD-YXAMBPQSSA-N 342.395 2.743 0 50 EFAA Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 248036344 RBPWCRKAAJUJOQ-HOTGVXAUSA-N 342.468 2.583 0 50 EFAA Cn1ncc(Cl)c1CN1CCC(O)(Cc2cccc(F)c2)CC1 253428750 RENXZTMHOWWSEJ-UHFFFAOYSA-N 337.826 2.782 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@@]2(O)CCCC[C@H]2C1 151388008 YCYBMOBWYKZMNU-KXBFYZLASA-N 347.459 2.813 0 50 EFAA O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@H]1CCNC1 155579847 PNWAERBCAUGGSN-QMMMGPOBSA-N 340.861 2.891 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263245703 SEPYAQPGHWGPRV-GHMZBOCLSA-N 325.792 2.603 0 50 EFAA CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccnc(O)c1 390835392 MHGCUISYWFAQFO-UHFFFAOYSA-N 339.164 2.961 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1CC1 905143487 JWQKQIXLJHUKKN-CABZTGNLSA-N 339.237 2.884 0 50 EFAA C[C@@]1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC=CCC1 822487820 DHQLDHMMYGVQFF-OAHLLOKOSA-N 343.349 2.590 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)c2ncccc12 825287422 ADHAHHWVLKPNQQ-LBPRGKRZSA-N 337.383 2.528 0 50 EFAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N[C@@H]1CCO[C@H]1C1CC1 929585007 FFKVDWXRUWSTSK-KURKYZTESA-N 346.427 2.933 0 50 EFAA Cc1ccc(NC(=O)C2CCN([C@H](C)c3ncccn3)CC2)nc1 929889271 ADCWSFQTBYYJAO-CQSZACIVSA-N 325.416 2.592 0 50 EFAA Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccccc1-n1cccc1)C2 929912019 ABCFGCSIMHHRNR-INIZCTEOSA-N 332.407 2.863 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)C[C@@H](O)C(Cl)(Cl)Cl)on1 863981707 KOUBQCLIMSBEDU-PSASIEDQSA-N 341.622 2.768 0 50 EFAA Cn1ncc(C(=O)Nc2ccc3c(c2)C[C@H](O)C3)c1Cc1ccccc1 1875265471 KADHLSDNSVDSJV-GOSISDBHSA-N 347.418 2.723 0 50 EFAA CC(C)(C)OC(=O)NCC(=O)Nc1cc2c(Cl)n[nH]c2cc1F 1875279096 ABQKUIGZNJKDKT-UHFFFAOYSA-N 342.758 2.819 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(OC(F)(F)F)CC3)n[nH]c21 1875295585 KJKIKKALGOHTEJ-BDAKNGLRSA-N 347.337 2.573 0 50 EFAA CS(=O)(=O)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 1875390589 SZOOECUILYJNHY-UHFFFAOYSA-N 339.800 2.608 0 50 EFAA N=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)CCOc2ccccc2)C1 1875395316 AMWDBPQWHHOBGD-UZUQRXQVSA-N 336.457 2.657 0 50 EFAA CC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](c3ccccc3C)[C@H]2C1)C1CCCC1 1875313298 OKBNLYRHEHCGKT-FUMNGEBKSA-N 340.467 2.862 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cnn([C@@H]3CC3(F)F)c2)cc1 1875374026 XULREYFCHSFMAR-CQSZACIVSA-N 346.337 2.864 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Cc3ccccn3)cc2)cn1 1875385547 VUMFQGFLVHVLRF-DVECYGJZSA-N 334.423 2.669 0 50 EFAA CCC1(CC)CNC(=O)[C@H]1NC(=O)c1nc(-c2ccco2)sc1C 886718857 JMHYMYYFTOWZOE-CYBMUJFWSA-N 347.440 2.746 0 50 EFAA O=C(NCc1c(F)cccc1Cl)[C@@H]1CCCO[C@H]1c1ncc[nH]1 888075932 AYALRUQMVNLZKY-QMTHXVAHSA-N 337.782 2.986 0 50 EFAA NC(=O)c1ccc(Cn2cnc3c(C(F)(F)F)cccc3c2=O)cc1 1307393594 UZCMKTAECRMGEZ-UHFFFAOYSA-N 347.296 2.563 0 50 EFAA COc1cccc2c1CCCCN2C(=O)COCc1cc(C)on1 1772125712 LPGLHBHAFQDGLZ-UHFFFAOYSA-N 330.384 2.878 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)Nc1c(Cl)cccc1Br 1775997785 LXJSTJYJAJHYKP-SECBINFHSA-N 331.597 2.662 0 50 EFAA CN(CCN[C@H](c1ccccc1)c1cnc[nH]1)C(=O)OC(C)(C)C 1775985178 XATNKZAMXRRKGJ-MRXNPFEDSA-N 330.432 2.956 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2[C@@H]3CCC(F)(F)[C@@H]32)nc1C1CC1 2325788801 HDZGJOQQZLIVAN-UHTWSYAYSA-N 336.338 2.565 0 50 EFAA C[C@H](Cc1ccc(F)cc1F)C(=O)N[C@H]1COc2ccccc2[C@@H]1O 2325791595 VZBNXGBJWNDFOB-VOZBZGINSA-N 347.361 2.754 0 50 EFAA C[C@H]1CCCc2c(C(=O)NC3CCN(c4ccccn4)CC3)cnn21 2325792515 MBQPWTDZELULMY-AWEZNQCLSA-N 339.443 2.574 0 50 EFAA COCC1(NCc2coc(-c3ccc(Cl)cc3)n2)CCNCC1 2325804941 DSIGZQRJMQVBJT-UHFFFAOYSA-N 335.835 2.853 0 50 EFAA O=C(O)c1ncoc1C1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2C32CC2)CC1 2325808171 ANRBKAGBXBXXDQ-MCIONIFRSA-N 342.395 2.681 0 50 EFAA CC(C)(CC(=O)NCc1cccc(-n2cncn2)c1)c1ccc(N)cc1 2325814012 BQVBPXJEBPTZSP-UHFFFAOYSA-N 349.438 2.834 0 50 EFAA COc1ccc(C(=O)NCc2cscc2Cl)cc1OCCO 923339937 CSVCDISXRTXCLE-UHFFFAOYSA-N 341.816 2.711 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1cccnc1)CC2)[C@@H]1CCCO1 20449306 GJJBYQRAMQZOKC-IBGZPJMESA-N 337.423 2.757 0 50 EFAA COc1cc(OC)cc(C(=O)Nc2nnc(C(F)(F)F)s2)c1 268368 JVWDMUXEXOGRNV-UHFFFAOYSA-N 333.291 2.826 0 50 EFAA Cc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C)o3)CC2)o1 484391 SVKRIUNHGWOXRH-UHFFFAOYSA-N 330.384 2.960 0 50 EFAA CCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 555651 BTAQLQFVADYNSZ-UHFFFAOYSA-N 332.425 2.654 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1O 2356162302 GVMRDGIHYYXCSV-IBGZPJMESA-N 330.428 2.706 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225542165 LXJKNBOYOAKLRK-PBHICJAKSA-N 346.402 2.816 0 50 EFAA Cc1cn(CC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c2ccccc12 225736906 DWRAYKLZLONTQR-MRXNPFEDSA-N 342.439 2.746 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(C)no2)c1 55393031 FHHXJIMCQOPRJJ-CQSZACIVSA-N 328.372 2.704 0 50 EFAA CC(C)CCN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO 104403605 XAYNVQFUJZNPMX-LJQANCHMSA-N 336.524 2.523 0 50 EFAA CCN(C)C(=O)CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246775791 RLHAFMHYDMTHNE-CABCVRRESA-N 344.377 2.682 0 50 EFAA COc1cccc(CN2CCC[C@@H](NCc3cnc(C)nc3)C2)c1 22851185 PRHSJSILYKKLHM-GOSISDBHSA-N 326.444 2.548 0 50 EFAA CCCOc1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 20119927 KDTHCTRGKCIPJP-UHFFFAOYSA-N 340.423 2.993 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc2c(c1)OCCO2 247864260 XANRKCUGAOEXEP-XHSDSOJGSA-N 331.412 2.764 0 50 EFAA O=C(c1ccc(O)nn1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67821880 MFCOIMMJJWDRDD-AWEZNQCLSA-N 349.394 2.592 0 50 EFAA CCn1ccc(=O)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 135307168 IMFWNQKTBWFWPV-UHFFFAOYSA-N 326.331 2.650 0 50 EFAA COc1ccc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cc1C1CC1 347435864 RGOFIFZKJDQMJX-CQSZACIVSA-N 327.384 2.894 0 50 EFAA COc1c(F)ccc(C(=O)NCC2(Cn3ccnc3C)CC2)c1F 67886246 NKSDURKZZQYXES-UHFFFAOYSA-N 335.354 2.689 0 50 EFAA Cc1ccccc1CCC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 136485744 BQUWKFSQRDEWPO-GOSISDBHSA-N 328.456 2.835 0 50 EFAA CCCn1cc(-c2c[nH]c([C@H]3CC(=O)N(CC(C)C)C3)n2)c(C)n1 20785406 ADJRQDVVFRFIED-AWEZNQCLSA-N 329.448 2.964 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC2CCN(c3ccc(Cl)nn3)CC2)n1 67974737 SZTKUGFKALKADI-ZDUSSCGKSA-N 348.882 2.590 0 50 EFAA Clc1ccc2nccc(N3CCO[C@H](Cn4cccn4)C3)c2c1 172151158 SAMUUGFXVFSXFU-AWEZNQCLSA-N 328.803 2.990 0 50 EFAA COc1cccc(SCC(=O)NCc2cccnc2N(C)C)c1 67934329 LZQGZQTYMSKSCD-UHFFFAOYSA-N 331.441 2.565 0 50 EFAA CSc1cccc(F)c1C(=O)N1CCC[C@@H](Cn2cncn2)C1 253395054 MBHVPACANHIMFG-GFCCVEGCSA-N 334.420 2.692 0 50 EFAA CN(C)C[C@@H](CO)Nc1ncnc2scc(-c3ccccc3)c12 253426838 BDMXYRCBFXBSGW-ZDUSSCGKSA-N 328.441 2.693 0 50 EFAA Cc1oc(-c2ccccc2Cl)nc1CN1CCS(=O)(=O)CC1 72418279 LBJURFXNZWYHKE-UHFFFAOYSA-N 340.832 2.534 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CCCN(c2ccc(F)cc2)CC1 77388467 DIONTZVQFDRTHE-UHFFFAOYSA-N 344.434 2.837 0 50 EFAA COCc1ncc(CN2CCC(Oc3ccccc3OC)CC2)cn1 72163156 CWFALBKWWVZANJ-UHFFFAOYSA-N 343.427 2.675 0 50 EFAA CC(C)N(CCOCCO)C(=O)Nc1cc(Cl)c(Cl)cn1 338450380 DXBZQZPXILRKBC-UHFFFAOYSA-N 336.219 2.640 0 50 EFAA O=C(c1ncccc1O)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72425971 DMEJDPQIASLVDU-CYBMUJFWSA-N 326.331 2.780 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C 239654218 BMXCFJMVRBBFBG-HOCLYGCPSA-N 328.416 2.908 0 50 EFAA CCn1cnc2c(N[C@H]3CCN(c4c(F)cccc4F)C3)ncnc21 378126469 MJTHQNNOUSKRPH-NSHDSACASA-N 344.369 2.815 0 50 EFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(C(=O)O)n1)[C@@H]2C 262904680 XZEIRKJFTLEBQP-NWDGAFQWSA-N 340.379 2.936 0 50 EFAA Cc1nc(NS(=O)(=O)c2cccnc2)cc(-c2ccc(F)cc2)n1 240934465 JCHDXILXCJDXTC-UHFFFAOYSA-N 344.371 2.787 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cccc3[nH]ncc23)c1 337529616 ZQDOHWYPXPVRIK-FZKQIMNGSA-N 337.379 2.520 0 50 EFAA Cc1ccc(N2CCO[C@H](C(=O)Nc3cccc(C(C)C)c3)C2)nn1 72431154 OUTHLUUVJDCTKV-KRWDZBQOSA-N 340.427 2.752 0 50 EFAA CC[C@@H](C)N1CCc2c(c(C(=O)NCc3ccccc3)nn2C)C1 14539334 KRSPEBOFYYMVJB-CQSZACIVSA-N 326.444 2.507 0 50 EFAA Cc1c(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)sc2ccccc12 221225756 SFKNYGKMNVNFGG-OLZOCXBDSA-N 328.437 2.950 0 50 EFAA CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C(=O)c1ccc(C)o1 175841616 HRICXAPUEJZGDK-NSHDSACASA-N 342.351 2.752 0 50 EFAA C[C@@]1(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)CCCCO1 457766026 PQOWRABEZOONGZ-IBGZPJMESA-N 331.456 2.789 0 50 EFAA CCC1(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 287625426 ZIFBCTGFNCXNEP-LJQANCHMSA-N 341.499 2.595 0 50 EFAA Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc2cccnc12 178333680 LLAPAPFTZOVDQF-UHFFFAOYSA-N 334.788 2.666 0 50 EFAA COC(=O)c1csc(NC(=O)N2CCC[C@H](c3cn[nH]c3)C2)c1 160806795 BUTDLFNICLGMHS-JTQLQIEISA-N 334.401 2.669 0 50 EFAA NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 178526463 ZSFACQQWNBGIFD-LLVKDONJSA-N 331.243 2.960 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)CN2C(=O)CCC3=C2CCCC3)C1 20201771 NJHNRDBIZFHNJJ-MRXNPFEDSA-N 334.460 2.855 0 50 EFAA Cc1cccc(CC2(NC(=O)[C@@H]3Cc4ccccc4C(=O)N3)CC2)c1 97527395 DWAGLGBCNLYPLR-SFHVURJKSA-N 334.419 2.541 0 50 EFAA CCc1ccccc1CN1CCC2(CCC(=O)N(C[C@H](C)O)C2)CC1 91644597 WZKBNLOCUXKTHN-KRWDZBQOSA-N 344.499 2.834 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)ccc21 293438060 ITMJIVWCMZBESF-WQVCFCJDSA-N 340.423 2.604 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95389284 QLTQJPGWUBUREB-AWEZNQCLSA-N 345.472 2.863 0 50 EFAA CC1=C(C)C[C@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]2C1 95950896 GQCZEUJZMZKGFY-QZTJIDSGSA-N 340.423 2.759 0 50 EFAA OC[C@H]1CN(Cc2ccc(F)c(F)c2F)C[C@H]1CN1CCCCC1 91548296 ZFZCYOUYAKXZMI-HUUCEWRRSA-N 342.405 2.630 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)CCc2cccs2)CC1 91951059 JHMKSAMQRHZREI-UHFFFAOYSA-N 347.484 2.930 0 50 EFAA Cc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 95518842 ZPMLLYHFLXMGTO-MRXNPFEDSA-N 334.427 2.809 0 50 EFAA O=C(NCCCOc1cccnc1)c1ccc2cccc(F)c2n1 91410404 GAJVRNJPZLNDCF-UHFFFAOYSA-N 325.343 2.968 0 50 EFAA COC[C@](C)(NCCn1cnc2ccccc2c1=O)c1ccccc1 181105402 DVMBGASZIIEMCP-FQEVSTJZSA-N 337.423 2.548 0 50 EFAA Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)ccn1C 534664708 UILLJPGOZZUFID-INIZCTEOSA-N 329.419 2.867 0 50 EFAA CCC(=O)NCCNC(=O)NC[C@@H](c1ccccc1)C1CCCC1 534586394 LSASRLLUWCWTRA-KRWDZBQOSA-N 331.460 2.786 0 50 EFAA CCC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 534591717 AXELRJDZIOHYJY-OAHLLOKOSA-N 335.423 2.758 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc3cccc(F)c3n1)CC2 299773121 AQVBOILPLHACIS-VDZJLULYSA-N 330.403 2.878 0 50 EFAA Cc1ccc2nc(C(=O)N(CC3CC3)C[C@H]3CCCO3)c(F)n2c1 299768257 JMACVNBCKPPUAH-CQSZACIVSA-N 331.391 2.813 0 50 EFAA COc1ccc([C@@H](NC(=O)c2c(C)ncn2C)c2ccncc2)cc1 670472652 IREILQRAATUPPA-QGZVFWFLSA-N 336.395 2.652 0 50 EFAA O=C(CO[C@H]1CCOC1)N=S(=O)(c1ccccc1)c1ccccc1 1361526953 ACDVXXGJXPTZIX-HNNXBMFYSA-N 345.420 2.905 0 50 EFAA CCc1nc(CNCc2cc3cc4c(cc3nc2O)OCO4)cs1 952871665 AIZUQSMKTJSJRH-UHFFFAOYSA-N 343.408 2.978 0 50 EFAA C[C@@H]1CCCCN(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 187527607 SMISBTCWDJPEIA-CYBMUJFWSA-N 339.461 2.736 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)C2CCC(F)(F)CC2)cn1 275296811 BGIQMFBONKOLQS-UONOGXRCSA-N 327.375 2.582 0 50 EFAA O=C(Cc1ccc(O)cc1)N1CCC(O)(c2c(F)cccc2F)CC1 186437760 HNGGRBMUEKTJFQ-UHFFFAOYSA-N 347.361 2.723 0 50 EFAA Cc1nc(N[C@H]2CCO[C@@H]2c2nccn2C)c2c(C)csc2n1 275625093 RXKISBNJTAVDPN-AAEUAGOBSA-N 329.429 2.984 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275670197 PLWVNPGNZRTNPO-OAHLLOKOSA-N 340.427 2.612 0 50 EFAA Cc1ncsc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186567308 NFHFRLBGPNKAIT-OAHLLOKOSA-N 330.457 2.631 0 50 EFAA CCOC(=O)C1(CC(=O)Nc2ccc(Cn3cccn3)cc2)CCC1 170608489 CHJZMJDTGJUAAF-UHFFFAOYSA-N 341.411 2.993 0 50 EFAA CCCCS(=O)(=O)Nc1ccc(C)c(N2CC[C@H](N(C)C)C2)c1 408514789 XEAOTOKMAZJEBH-INIZCTEOSA-N 339.505 2.677 0 50 EFAA COc1cccc([C@H](C)N2CCN(C(=O)c3c(C)noc3C)CC2)c1 171589338 CJOLIICARKCNNR-AWEZNQCLSA-N 343.427 2.819 0 50 EFAA O=C(c1cnc(-c2ccccc2F)s1)N1CCN2CCC1CC2 188861554 FLYKQGBLBBDTRF-UHFFFAOYSA-N 331.416 2.869 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2nc(C3CCC3)no2)C1 639587032 SRGUXDUISDNOBK-CQSZACIVSA-N 332.404 2.733 0 50 EFAA COc1ccc2cccc(CC(=O)N3CCO[C@@H](C(F)F)C3)c2c1 194120351 CUUKYVUMIPEVJE-MRXNPFEDSA-N 335.350 2.883 0 50 EFAA CN(C)c1cccc(CCC(=O)N2CCc3ccccc3[C@@H]2CO)c1 194525525 PFWQVRUREAZEPC-FQEVSTJZSA-N 338.451 2.804 0 50 EFAA Cc1cnc(OC2CCN([C@@H](C)c3cc(C)c(C(=O)O)o3)CC2)nc1 656190904 ILXBOYRAZVKADF-ZDUSSCGKSA-N 345.399 2.989 0 50 EFAA CC(=O)N1CC[C@@H](NC(=O)CCc2csc(C)n2)c2ccccc21 757627591 KTANTONJTOMHEF-MRXNPFEDSA-N 343.452 2.998 0 50 EFAA COc1c(C)cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1C 1529113388 XUYFUINPUBHSQV-QZTJIDSGSA-N 340.423 2.695 0 50 EFAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)n1C(F)F 1704353603 PPVODZPLFBGQAT-KGLIPLIRSA-N 335.354 2.574 0 50 EFAA Cc1cc(C(=O)NCCCCC(N)=O)cc(Cl)c1Br 252498905 RPQPEAZPXOKLQB-UHFFFAOYSA-N 347.640 2.796 0 50 EFAA COc1cccc(CN(Cc2cnc(C(=O)O)cn2)C(C)C)c1OC 1772709747 MVFUEZSHYCPQGO-UHFFFAOYSA-N 345.399 2.603 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 12591647 ALRLFROFDMVYAC-INIZCTEOSA-N 339.439 2.574 0 50 EFAA CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2ccsc2)CC3)CC1 14989524 OKFIXYPPJFKPEC-QGZVFWFLSA-N 347.528 2.514 0 50 EFAA COc1cnc(C)cc1C(=O)N1CCC(OCc2cccnc2)CC1 1857669945 FWCSZACIGICJJS-UHFFFAOYSA-N 341.411 2.615 0 50 EFAA Clc1cccc2ccc(-c3nccn3CCCc3nn[nH]n3)nc12 1857683710 MCSZXKAQLQXKHW-UHFFFAOYSA-N 339.790 2.898 0 50 EFAA CCCCn1nc(CC(=O)NC)nc1-c1scc2c1CCCC2 1857698419 QNUPJRHSXYIFMH-UHFFFAOYSA-N 332.473 2.974 0 50 EFAA COC(=O)c1cc(OC)ccc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875241741 ZTEJKWGEMSGAQV-AWEZNQCLSA-N 325.364 2.752 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)o1 1875248367 MTTYNRAFMOZQQN-UHFFFAOYSA-N 349.390 2.579 0 50 EFAA CCC1CCC(NC(=O)N2CCCN(c3cccnn3)CC2)CC1 119532863 KEJAJUQBVGKZPU-UHFFFAOYSA-N 331.464 2.667 0 50 EFAA CC1(C)CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)CC[S@]1=O 332335652 OQQMKGTUHYWXCX-HSZRJFAPSA-N 349.378 2.865 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)c1 643606476 FIKRULBHEVVTMN-WOJBJXKFSA-N 344.499 2.981 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c[nH]c(C)cc1=O)[C@H]2C 332500545 CYPXMAREUAFCSN-OLZOCXBDSA-N 326.396 2.840 0 50 EFAA Cc1ccc(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)cc1F 128483771 IQTYNNBPRXYCBB-UHFFFAOYSA-N 349.383 2.577 0 50 EFAA CC(C)c1c(NCc2nnnn2C)cnn1-c1ccccc1Cl 447886440 RDJJCANPVRLKJE-UHFFFAOYSA-N 331.811 2.785 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 348260650 CZVSRBRTJDOFFO-RBUKOAKNSA-N 342.414 2.835 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 253395397 DLPQABWIXHBNDC-GUDVDZBRSA-N 329.440 2.956 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)CCc2cc(C)cc(C)c2)C[C@H]1O 1704304878 JBBJKARFFGAPBF-XLIONFOSSA-N 347.455 2.700 0 50 EFAA COc1cncc(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 816793213 OCWQVYVESCXFFQ-MOPGFXCFSA-N 349.390 2.690 0 50 EFAA COC[C@@H](CN1CCC2(CC1)CNC(=O)c1ccccc1O2)C(C)C 932052626 PVYSYVXBQYVEOC-MRXNPFEDSA-N 346.471 2.562 0 50 EFAA CC(C)(C(=O)N1CC(C)(C)[C@H]1c1nccn1C1CC1)c1cnc[nH]1 952895324 UEAFOROTNQMZSF-CQSZACIVSA-N 327.432 2.828 0 50 EFAA COc1nccc2c(NC(=O)N[C@H]3CCc4nccn4C3)cccc12 952995079 CIRLPXKEHPSTDL-LBPRGKRZSA-N 337.383 2.576 0 50 EFAA CC(F)(F)c1noc(CNc2cc3c(cc2F)NC(=O)CC3)n1 1875280926 HAWZVPRZWBFDIX-UHFFFAOYSA-N 326.278 2.817 0 50 EFAA O=C(Nc1cccc(OCCCc2nn[nH]n2)c1)[C@@H]1CC=CCC1 1875324078 GFFBYYZDEPEVQA-CYBMUJFWSA-N 327.388 2.506 0 50 EFAA CCn1c(=O)c(N2CCO[C@@]3(CCSC3)CC2)nc2ccccc21 1875307156 VCYOHDIIPAQACB-GOSISDBHSA-N 345.468 2.519 0 50 EFAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)c1cc(O)n[nH]1 1875349331 UENFZAKYYIYCGL-MRVPVSSYSA-N 331.763 2.650 0 50 EFAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC[C@@]2(CO)CCC[C@@H]12 1875311429 YPSOINSZLZKNDQ-UKRRQHHQSA-N 343.349 2.614 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)CC1 1875366275 JNTHMGYJWVTVQT-MRXNPFEDSA-N 332.831 2.868 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cc(F)cc(F)c1 1875316539 YFCBRCGUIAVKPR-UHFFFAOYSA-N 328.322 2.518 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)CC1 1875369356 JUKYOBMLFBFKML-INIZCTEOSA-N 328.456 2.809 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC2([C@H]3CCCCO3)CC2)cc1 1875373582 GUSVFRLYUWWDBM-MRXNPFEDSA-N 328.412 2.667 0 50 EFAA C[C@H]1C[C@H](NCc2nnc3ccccn23)CN(Cc2ccccc2)C1 136892955 AEEXITJTXLTQPL-WMZOPIPTSA-N 335.455 2.730 0 50 EFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C/C=C/c1ccccn1 1775960061 QFCCKGUMSGYEBD-LKUPDRCFSA-N 339.443 2.747 0 50 EFAA CC[C@]1(O)CCCN(C(=O)c2ccc(OC3CCN(C)CC3)cc2)C1 1775994720 MDIJHBZCUZCYQW-FQEVSTJZSA-N 346.471 2.537 0 50 EFAA CCc1ncc[nH]c1=NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 2325854137 PGPPJXMIDZMMBK-UHFFFAOYSA-N 346.239 2.877 0 50 EFAA c1cc(NCc2cnnn2[C@@H]2CCCNC2)cc(-c2nccs2)c1 903922365 WFQOPSUSERYHFS-OAHLLOKOSA-N 340.456 2.938 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)NCCc1cn2ccccc2n1 225555160 AARWYOACHYIYKY-UHFFFAOYSA-N 332.766 2.682 0 50 EFAA CN1CCC(N(C)c2ncnc3ccc(Br)cc23)CC1 99181 NOPKPPIKSUUGKJ-UHFFFAOYSA-N 335.249 2.923 0 50 EFAA O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ncccn1)c1ccccc1 197609 LMKOOLSVNOKNCN-HUUCEWRRSA-N 349.481 2.858 0 50 EFAA CNc1nc(NC(C)(C)C)nc(Oc2ccc(C(=O)OC)cc2)n1 200239 BKIIRTSHQQWIEI-UHFFFAOYSA-N 331.376 2.703 0 50 EFAA O=C(CSc1nnc(-c2cccnc2)o1)NCc1ccccc1 221654 ZTCJXTBQSGTLRC-UHFFFAOYSA-N 326.381 2.540 0 50 EFAA Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 617751 RHBUPKWAYYSXON-UHFFFAOYSA-N 330.453 2.814 0 50 EFAA CCCc1nnc(NC(=O)c2cncc(Br)c2)s1 2549537 XXNUNWGDFKORMT-UHFFFAOYSA-N 327.207 2.900 0 50 EFAA COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 2889987 JNCSXGVXEYIXJR-UHFFFAOYSA-N 334.397 2.652 0 50 EFAA Cc1ccc(Cl)c(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c1 2356145466 CTBNQTQAWFZTQR-LBPRGKRZSA-N 328.803 2.929 0 50 EFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C(F)(F)F)ccc1F 4529696 VVMSXAMGOYDOGF-LLVKDONJSA-N 332.253 2.645 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 4842828 OSUCRAVKGPOFES-ZDUSSCGKSA-N 332.425 2.939 0 50 EFAA COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 342595241 WMPBDNBPTOMNLH-HOCLYGCPSA-N 332.444 2.965 0 50 EFAA CN(C)C(=O)[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 412572514 KPLULDUSOOKKSP-HNNXBMFYSA-N 337.423 2.981 0 50 EFAA CCCc1cc(O)n2nc(NC(=O)c3ccccc3Cl)nc2n1 8654555 LAXSQBQNRLXUIE-UHFFFAOYSA-N 331.763 2.688 0 50 EFAA CCc1nnc(SCC(=O)Nc2nccs2)n1CC(C)C 9224919 JZWKMQLPNQRADQ-UHFFFAOYSA-N 325.463 2.684 0 50 EFAA CCCCc1ccc(-n2cc(CN[C@H]3C=CS(=O)(=O)C3)cn2)cc1 55393618 BCLIGPUZAFMSOP-KRWDZBQOSA-N 345.468 2.615 0 50 EFAA Cc1ccnc([C@@H](NC(=O)Cc2sc(S)nc2C)C2CC2)n1 134284873 DZIKUVJAIJAAQN-ZDUSSCGKSA-N 334.470 2.649 0 50 EFAA C[C@@H]1CN(CC(=O)Nc2nnc(C3CCCCC3)s2)C[C@@H](C)O1 20572506 BPMUMPXELWYDOF-VXGBXAGGSA-N 338.477 2.634 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)c1 134686127 CCAKTSCWNNDVDD-LSDHHAIUSA-N 341.498 2.507 0 50 EFAA Cc1cccc(CN2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)c1 55165754 KOELVPDEGJYQMR-UHFFFAOYSA-N 340.423 2.523 0 50 EFAA CC(=O)Nc1ccc([C@H]2c3nc[nH]c3CCN2Cc2ccccn2)cc1 67956493 YFOKSVOHBDMZLD-FQEVSTJZSA-N 347.422 2.911 0 50 EFAA Nc1cccc(C(=O)NCC[C@H]2CCCN(Cc3ccco3)C2)c1 67817081 KFWPLVLRRZXNIR-OAHLLOKOSA-N 327.428 2.894 0 50 EFAA O=C(O)c1cccnc1CN1CCN(C/C=C/c2ccccc2)CC1 65462427 WPOCKRHEEFDCAR-VMPITWQZSA-N 337.423 2.611 0 50 EFAA CC(=O)NCC[C@H]1CN(Cc2cccc3c(C)cccc23)CCO1 67774662 ZUPOKARHSPTPMZ-SFHVURJKSA-N 326.440 2.875 0 50 EFAA C[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)N1CCCC1 67640926 BWVNKPDUVIRVBO-OAHLLOKOSA-N 349.438 2.521 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 229930078 ISTPASGOPRTDMH-WBAXXEDZSA-N 339.439 2.623 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccccc2F)c1 65364461 OVZFUYUJPNJOJC-NSHDSACASA-N 328.343 2.785 0 50 EFAA O=C(Cc1ccccn1)NC[C@H]1CCN(Cc2cccc(F)c2F)C1 67849995 GNPVQAWUTQPQGP-CQSZACIVSA-N 345.393 2.541 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(NCc3cn4c(n3)SCC4)c12 67975564 NTSCLHGNJOTQSB-UHFFFAOYSA-N 347.425 2.612 0 50 EFAA COCc1ncn(Cc2nc(-c3ccc(OC)cc3F)oc2C)n1 67654567 QBMLYPVFUBFIAY-UHFFFAOYSA-N 332.335 2.584 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cccnc2)no1 67649219 VTSSHGGXTCODFN-UHFFFAOYSA-N 347.378 2.780 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CC(O)=Nc2cnccc21 328787692 JPRRBOWWJXFYIX-DJJJIMSYSA-N 335.363 2.757 0 50 EFAA O=C(c1ccncc1)N1CCC(N2CCc3cc(F)ccc32)CC1 253393189 DOMGSBFIMKXOMK-UHFFFAOYSA-N 325.387 2.888 0 50 EFAA Cn1ccc(NC(=O)CN2CCC[C@@H](CCc3ccc(F)cc3)C2)n1 72130715 ZVAOMSUZZOBEDJ-INIZCTEOSA-N 344.434 2.843 0 50 EFAA CCCCC1CCC(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 360228057 YWBSMPGCQUWJCA-HWOWSKLDSA-N 329.506 2.924 0 50 EFAA CCc1nnc(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)o1 72150286 QSTINUBFLGFIAY-UHFFFAOYSA-N 341.419 2.603 0 50 EFAA OC1(CN(Cc2cccnc2)c2nc3ccccc3[nH]2)CCOCC1 153053357 VPFLDWKHGUDPPD-UHFFFAOYSA-N 338.411 2.506 0 50 EFAA CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)Cc2nnc[nH]2)c1 174172122 DQLYZCVGKWMJDI-UHFFFAOYSA-N 349.438 2.709 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CC3)C[C@@H]2C1 71736257 ULWRSIGCMBILFJ-CVEARBPZSA-N 345.464 2.808 0 50 EFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CC(C)(c2ccccc2F)C1 365919667 CRWJOFDLQGBYRY-QGZVFWFLSA-N 332.419 2.621 0 50 EFAA Cc1nc(C)n(-c2ccc(C(=O)N3C[C@@H](C)Oc4ncccc43)cc2)n1 158542532 QUMCPIQSVOUSCO-GFCCVEGCSA-N 349.394 2.707 0 50 EFAA O=C(Nc1nnc(C2CCOCC2)s1)N[C@H]1CCCC(F)(F)C1 333520818 NWIUPLLLRBIHLU-JTQLQIEISA-N 346.403 3.132 0 50 EFAA Nc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)ccn1 77344116 HZGLRWNMIGMGIG-MRXNPFEDSA-N 325.412 2.997 0 50 EFAA O=C(O)CC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 262076202 GHASGPBGJHZPLG-UHFFFAOYSA-N 329.318 2.961 0 50 EFAA CSc1ccccc1C(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 77406964 YEUDPFSEGPHWER-CYBMUJFWSA-N 343.452 2.877 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3cccnc3S)CCO2)c1 130051747 PPDYADYBFNRSKK-HNNXBMFYSA-N 330.409 2.593 0 50 EFAA O=C(O)COc1cccc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 262823798 QEQINDSHEKMFSO-NZSAHSFTSA-N 337.375 2.608 0 50 EFAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)c2cscn2)CC1 72418779 DFTADRPAXVKUBT-UHFFFAOYSA-N 346.408 2.590 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nccn2CC(F)(F)F)C1 336879279 LXOMRMAWTFHCAG-KBPBESRZSA-N 343.324 2.892 0 50 EFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1C 71523975 PCCWLJXMSAUPDL-CQSZACIVSA-N 340.427 2.784 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2cn3c(C)cccc3n2)c1 282221295 OXAFWQAZYFYUPX-PKOBYXMFSA-N 337.423 2.959 0 50 EFAA CC(C)c1cccc(S(=O)(=O)N2CCC(c3nncn3C)CC2)c1 172893353 MZNYUTXLIJSNEU-UHFFFAOYSA-N 348.472 2.507 0 50 EFAA C[C@@H](C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 173071290 VCSGITNAHYMCAN-PBHICJAKSA-N 342.418 2.847 0 50 EFAA O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCc2ccccc2O1 220514543 MKGHZPUXEFMQLZ-FQEVSTJZSA-N 336.435 2.555 0 50 EFAA CCSCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 222479983 MWKJXXCHFJYGRL-LEHRNKBSSA-N 330.453 2.916 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CC[C@@H](CN)C3)cc2)c(C)c1Cl 178529033 ZJKJKKKQSQRODB-ZDUSSCGKSA-N 332.835 2.563 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CC[C@H](C3)C(=O)N4C)c2)n1 97468457 CHGWYRHZIXPCSX-MJGOQNOKSA-N 338.455 2.542 0 50 EFAA NCCOc1cccc(CC(=O)NCc2csc3c2CCCC3)c1 426674316 TUHXDZCFRXPJMH-UHFFFAOYSA-N 344.480 2.823 0 50 EFAA CN1CCCN(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 426628743 IXNMGKBVBKMBEM-SFHVURJKSA-N 342.418 2.657 0 50 EFAA COc1cccc(CCNC(=O)N2CCC(F)(F)CC2)c1OC 426358871 CZSDCSCZGTXVHP-UHFFFAOYSA-N 328.359 2.687 0 50 EFAA c1ccc(CN2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)nc1 97076394 XCCTZJSWXPTZTC-UHFFFAOYSA-N 339.487 2.855 0 50 EFAA O=C(Cc1cscc1Br)N[C@H]1CC[C@H](CO)CC1 293379725 NIZMNTFAVKQBLN-HOMQSWHASA-N 332.263 2.720 0 50 EFAA CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1N(C)C 95519656 QJUQYZDONZOJPC-RHSMWYFYSA-N 326.444 2.879 0 50 EFAA COc1cccc(OC)c1OCCn1c(=O)c(C)nc2ccccc21 95391431 BAYXABDFQASIBZ-UHFFFAOYSA-N 340.379 2.801 0 50 EFAA CC(C)(C)c1ncsc1C(=O)NCc1nc(C(=O)O)cs1 181862486 IBGNHPBWPPDZDS-UHFFFAOYSA-N 325.415 2.525 0 50 EFAA O=C1[C@@H]2C[C@H]3C(=CS(=O)(=O)c4ccccc4)[C@H]4C[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@@H]41 257359217 ZAPMCPUSTKKAOA-UAQRYZQKSA-N 326.417 2.691 0 50 EFAA Cc1cc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)ccc1Cl 252509872 YXGSESOQCHTIDP-CYBMUJFWSA-N 332.835 2.940 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccn2)c(C)c1C(=O)O 185136199 LYXQDYINMVDCLM-CYBMUJFWSA-N 348.424 2.778 0 50 EFAA 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CCCOc1ccccc1-c1nnc(N2CCC[C@@H](NC(C)=O)C2)o1 1772709029 HIHPEZMFCCJFKR-CQSZACIVSA-N 344.415 2.630 0 50 EFAA CC(=O)CCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN(C)C1 12091016 FTHZHHPGXKKEBX-LJQANCHMSA-N 330.472 2.769 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 14983268 FMJRXFHXMRVSKS-SFHVURJKSA-N 349.438 2.983 0 50 EFAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(NCCN(C)C)c12 15072807 HGEGQTBMDIMRRM-UHFFFAOYSA-N 349.504 2.749 0 50 EFAA CCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 15073727 LMERJTQPDOVZHQ-LJQANCHMSA-N 348.418 2.585 0 50 EFAA Cc1ccoc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 15078577 NDRQKSWZMHOVHF-LJQANCHMSA-N 330.428 2.843 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c(F)cc(OC)cc1F 1857697229 LCAHBRCTNOIALL-VNQQYTOKSA-N 339.338 2.831 0 50 EFAA Cc1cc(C)cc(CS(=O)(=O)CC(=O)NC(C2CC2)C2CC2)c1 339109893 PLNSFNZGBXPOAS-UHFFFAOYSA-N 335.469 2.523 0 50 EFAA c1ncn(C2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)n1 120912426 ZVTMXKHMHYHZKA-IBGZPJMESA-N 342.443 2.673 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ncnc3sc(C)cc23)C1 328612012 NIXWSRGZSVXQGR-ZYHUDNBSSA-N 331.401 2.658 0 50 EFAA CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1Br 634831363 WTRBXWRCWFYXEX-BDAKNGLRSA-N 328.162 2.507 0 50 EFAA CCOC(=O)Cn1c([C@@H]2CC(=O)N(CC(C)C)C2)nc2ccccc21 7425191 HWZKHEOAJLEFMD-CQSZACIVSA-N 343.427 2.571 0 50 EFAA Cc1ncc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1C 668163882 JYLUZONKKGFPNW-ZDUSSCGKSA-N 346.862 2.964 0 50 EFAA COc1cc(CNC[C@@H](CO)Cc2ccc(C)cc2)cc2c1OCO2 252495594 OUFGBGYFHMRMQM-KRWDZBQOSA-N 343.423 2.673 0 50 EFAA Cc1nc2ccc(C(=O)N3CCO[C@H](c4ccco4)C3)cc2n1C 375648169 IHVMKCVPBMGTDC-KRWDZBQOSA-N 325.368 2.688 0 50 EFAA C[C@@H](Cc1ccccc1F)C(=O)N1CCCN(c2cccnn2)CC1 159145623 WVOPEHLTUQJYSC-HNNXBMFYSA-N 342.418 2.533 0 50 EFAA Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)sc1C 263096731 QVLGPAOBNFKACV-OAHLLOKOSA-N 331.393 2.856 0 50 EFAA CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ncccc1Cl 495756559 VEHXSLPPQZSHLX-LBPRGKRZSA-N 339.823 2.866 0 50 EFAA O=C1CCCc2ccc(NS(=O)(=O)c3ccnn3C3CCC3)cc21 901895252 LFVVVNKPQLGTOB-UHFFFAOYSA-N 345.424 2.928 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(F)cc3Cl)C[C@@H]12 1704301147 MQLYWWYFTVHIOT-IAGOWNOFSA-N 326.843 2.758 0 50 EFAA C[C@@H]1COc2ccccc2CN1Cc1ccc(OCC(=O)O)cc1 833631407 JPOJRJNZYFDOBA-CQSZACIVSA-N 327.380 2.933 0 50 EFAA O=C(NCc1cccc2c1OCC2)c1csc([C@H]2CCCO2)n1 857812387 SWYCXDCYMIDFOK-CQSZACIVSA-N 330.409 2.860 0 50 EFAA CCOc1ccc(NC(=O)CCc2ocnc2C(=O)O)cc1OCC 1875266051 UUSWPEMFBPDNRH-UHFFFAOYSA-N 348.355 2.742 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc3c2CCC(C)(C)O3)cn1 1875379893 ZBXGJCQVDJYNTL-NYHFZMIOSA-N 327.428 2.787 0 50 EFAA Cc1ccc(/C=C/CC(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1 1875403615 WSERYPFMALHQNF-BSWTUICMSA-N 339.439 2.551 0 50 EFAA O=C([C@@H]1CC12CCC2)N1C[C@@H]2CC[C@H](Nc3cc(F)ncn3)C[C@H]2C1 1875408273 SCVURWYYZRKDMN-AJNGGQMLSA-N 344.434 2.845 0 50 EFAA O=C(O)C1CN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 1772382773 JRHAYAFFCKZWTN-UHFFFAOYSA-N 340.257 2.517 0 50 EFAA c1ccc(-n2nnc(CN[C@]34C[C@H]3COC43CCC3)c2C2CC2)cc1 897388404 DSNMUWBWMYTPCC-MGPUTAFESA-N 336.439 2.946 0 50 EFAA CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)N3)cc2s1 2325768324 DJWGYSUGEZFHFY-NWDGAFQWSA-N 347.440 2.738 0 50 EFAA Cn1ncc2c1CC(C)(C)CN(Cc1c[nH]nc1C(F)(F)F)C2 2325778952 XDFQZMUPRGYSJZ-UHFFFAOYSA-N 327.354 2.747 0 50 EFAA O=C(NC[C@@H]1CCCC2(CC2)C1)c1ccc2c(c1)NS(=O)(=O)C2 2325790389 IPCNTLBAAAWRSC-GFCCVEGCSA-N 334.441 2.642 0 50 EFAA CC(C)n1ncc(Br)c1C(=O)N[C@]12C[C@@H]1COC2(C)C 2325811339 QEKBYVQLLPWETM-YMTOWFKASA-N 342.237 2.524 0 50 EFAA CCOC(=O)N1N=C(C)C[C@]1(O)c1ccc(Br)cc1 108373 QKFSKBNCSORWAZ-ZDUSSCGKSA-N 327.178 2.832 0 50 EFAA COc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1OC 178675 FAOSFYCNIRVKSA-UHFFFAOYSA-N 337.379 2.583 0 50 EFAA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)N1CCCC1 308146 LPVAQHAHCSZIIM-UHFFFAOYSA-N 347.798 2.936 0 50 EFAA COc1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 389231 DZBMTCBOCJTIJK-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA COc1cc2nc(S)n(Cc3ccccc3)c(=O)c2cc1OC 425087 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EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1c(C)nc2ccccn12 55198320 UMXBOSJAKGKHQP-AWEZNQCLSA-N 327.384 2.649 0 50 EFAA CCn1ccnc1CN(C)C(=O)c1c(C)n(C)c2ccc(OC)cc12 65456223 VZQRSLBGTMSJJW-UHFFFAOYSA-N 340.427 2.984 0 50 EFAA Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c2c(C)nn(C)c2n1 24357814 UDOZPPOPEABNRH-UHFFFAOYSA-N 328.401 2.566 0 50 EFAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccsc1)[C@H](C)CC 63833720 CEIQYWDCFKFGKB-LLVKDONJSA-N 337.445 2.742 0 50 EFAA CC(=O)N[C@H](C)C1=CCCN(CC(=O)Nc2ccc(Cl)c(C)c2)C1 65381359 SLSODKOWARTBLX-CYBMUJFWSA-N 349.862 2.744 0 50 EFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 20233769 RJKKDQMUKAJIDH-PBJWJZLWSA-N 330.365 2.766 0 50 EFAA CC(=O)N[C@H](C)CC(=O)NCc1cccnc1Oc1ccccc1C 67834018 NAWMQFICHGFRTI-CQSZACIVSA-N 341.411 2.713 0 50 EFAA C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](Cn2cncn2)C1 229477669 CGRTYSUFAAVECG-QWHCGFSZSA-N 344.444 2.863 0 50 EFAA CN1CCN(C(=O)CC[C@H]2CCCN(CC3CCCCC3)C2)CC1 20450770 RTRQQCGVXMRTDR-LJQANCHMSA-N 335.536 2.833 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3nccn3C)C2)c(C)c1 67884878 KQQKQNFAIXGWDB-KRWDZBQOSA-N 340.471 2.679 0 50 EFAA Cc1cc(C(=O)Nc2ccc(NC(=O)C3CCNCC3)cc2)co1 63872203 CBHZHYRHDRIUQA-UHFFFAOYSA-N 327.384 2.778 0 50 EFAA O=C(NCc1cn2ccccc2n1)Nc1ccc(Br)cn1 121793972 VREASRDKYKXGCS-UHFFFAOYSA-N 346.188 2.814 0 50 EFAA CC1=CC[C@H]2CN(C(=O)c3cn(C(C)C)cc(C(=O)O)c3=O)C[C@H]2C1 1076115125 KERZJGAGIPUTNX-UONOGXRCSA-N 344.411 2.556 0 50 EFAA Cc1oc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1C(=O)O 328594896 FQRHZZUEXKKDHD-GQCTYLIASA-N 343.335 2.687 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(OC)nc2)n1C 328630227 JENGJBWJGWGDBB-INIZCTEOSA-N 342.443 2.516 0 50 EFAA COCc1cc(CN2CCN(c3cccc(O)c3)CC2)ccc1OC 216147610 NCXXKNZTHMZSMM-UHFFFAOYSA-N 342.439 2.869 0 50 EFAA CCc1cc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)nc(C)n1 253396692 JSBOJJDAPBUGEL-JTQLQIEISA-N 344.440 2.566 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)Nc1nc(-c2ccncc2)nc2c1cnn2C 72161156 QJBLAZOIKCELSG-SNVBAGLBSA-N 348.414 2.938 0 50 EFAA 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O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](OCc2ccccn2)C1 67649328 AKNMMUPEGRGPPE-HNNXBMFYSA-N 340.427 2.505 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)c1nc(CCN)nc2ccccc12 65505240 ROTQTYYTANVZQV-HNNXBMFYSA-N 334.423 2.571 0 50 EFAA O=C(NCCc1nc(-c2ccc3[nH]ccc3n2)no1)C1CCCCC1 351436023 CKXKIJUKSMAWOZ-UHFFFAOYSA-N 339.399 2.852 0 50 EFAA CCCc1cnc(C)nc1N1CCN(Cc2cnn(C(C)C)c2)CC1 65530700 HGUUJAFYRDOMNJ-UHFFFAOYSA-N 342.491 2.837 0 50 EFAA CCn1cnnc1CN(C)C(=O)Cc1csc(-c2ccccc2)n1 65532991 GPUNYKMCGUSTLS-UHFFFAOYSA-N 341.440 2.623 0 50 EFAA CCO[C@H](C)c1nc(C)c(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)s1 229827554 MDAFIGJSSZPMKS-UHTWSYAYSA-N 325.478 2.571 0 50 EFAA CCS[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2F)C1 229836234 LGDMFZYFSLRCIO-YWPYICTPSA-N 326.437 2.833 0 50 EFAA Cc1ccc(OC2(C(=O)N(C)C[C@H]3CCCCO3)CCNCC2)cc1 65405131 HIIPHNZWZYTIRX-GOSISDBHSA-N 346.471 2.524 0 50 EFAA Cc1ncncc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 67934249 XYYPAPHOYVDXBO-UHFFFAOYSA-N 347.422 2.746 0 50 EFAA CC1=C(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)CCCO1 121559657 LAOWOLPKLXQKHB-UHFFFAOYSA-N 334.441 2.507 0 50 EFAA CC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@@H](C)NC(=O)N1 67964707 XCVDSVSYXQZNDF-SECBINFHSA-N 341.333 2.639 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl 122640402 QNZBXGQXNGKPQV-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328648072 UJSWUGOLQOVTMH-WMLDXEAASA-N 333.505 2.700 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)on1 72144578 UCYHOFAVEJYIBB-AWEZNQCLSA-N 341.411 2.602 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C[C@]2(CCO[C@@H]2C)O1 329109264 PWBVQCSFAOOBRK-BBNKJRPNSA-N 343.423 2.542 0 50 EFAA CSc1nc(C(=O)NCc2nc(C)c3c(n2)CCCC3)cs1 219870380 IBGIJZXGPGIWQT-UHFFFAOYSA-N 334.470 2.772 0 50 EFAA COc1cccc2c1CC[C@H]2NC(=O)N1CCC(c2c[nH]cn2)CC1 253419707 BSWXNXLRGMKTHT-MRXNPFEDSA-N 340.427 2.995 0 50 EFAA C[C@@H](CN1CC2(CCN(CC(C)(C)N)CC2)OC1=O)c1ccccc1 72428966 HSMCTZQRAGAZJF-INIZCTEOSA-N 345.487 2.814 0 50 EFAA CCCCCNC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C 77428177 UYNWMXCAWZNXSF-AWEZNQCLSA-N 333.432 2.632 0 50 EFAA CC[C@H](Cn1ccnc1)NC(=O)CN1CCC(c2ccccc2)CC1 219304699 BJFUKBOXEDRZIO-LJQANCHMSA-N 340.471 2.658 0 50 EFAA C[C@H](NC1CCN(c2ccccn2)CC1)c1ccccc1-n1ccnn1 367754375 MTULWQJZDFWEHM-INIZCTEOSA-N 348.454 2.982 0 50 EFAA COC[C@]1(C(=O)O)CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 262887290 LEXORGDZDARMMP-LAGYLCCXSA-N 345.439 2.910 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 237524266 NOBMBJSKYSUOLF-OAHLLOKOSA-N 345.317 2.841 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2C(=O)c2cccs2)C1 237654269 OEHSXPBJEKIQAT-GOSISDBHSA-N 343.404 2.916 0 50 EFAA O=C(c1cccnc1N1CCCC1)N1CCC[C@H](OCC2CC2)C1 372419513 CQTNQDXBTIPECD-INIZCTEOSA-N 329.444 2.713 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)o1 39490489 QCWMMYCEMIGDCY-GOSISDBHSA-N 332.419 2.796 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 219887288 FQNRQHOVVUAOMV-MOPGFXCFSA-N 340.467 2.787 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCc1nnc2n1CCCCC2 240555562 GWISEVJHOVOERE-OWCLPIDISA-N 345.491 2.910 0 50 EFAA COc1cc([C@H](C)NCCCNC(=O)c2cccs2)c(F)cn1 287570665 GTFRBCPXBJYNBE-NSHDSACASA-N 337.420 2.762 0 50 EFAA CC(C)OCCN1CCC(NC(=O)c2cc(F)c(F)cc2F)CC1 133182293 APIPHAHVLMIGDP-UHFFFAOYSA-N 344.377 2.723 0 50 EFAA CN1CCC[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 222228387 PCRKHWPBVPDYPS-GFCCVEGCSA-N 334.851 2.607 0 50 EFAA Cc1nonc1OCCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 426369206 NDRCBLPPXCLELG-LJQANCHMSA-N 341.411 2.775 0 50 EFAA O=C(c1ccn2ccnc2c1)N(Cc1ccncc1)C[C@@H]1CCCO1 178714768 XSBAKAJIUIHNQZ-KRWDZBQOSA-N 336.395 2.551 0 50 EFAA O=C(CCc1ccsc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 225459461 FRGCKUPGGHVCTK-INIZCTEOSA-N 342.420 2.974 0 50 EFAA CC(C)c1ccc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c(=O)n1C 426667603 PMOLGCAXBABQKP-AWEZNQCLSA-N 332.444 2.730 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 178978920 SSIBFSDACHPAHF-GLQYFDAESA-N 326.362 2.877 0 50 EFAA C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@@H]1CCNC1 179082707 JFSOKPLEJFGQRY-RHSMWYFYSA-N 339.439 2.665 0 50 EFAA CN(C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCNC1 179105654 DMZORTLIKGBUFR-ZKKXHLJNSA-N 341.386 2.847 0 50 EFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)C2(Cn3cccn3)CC2)C1 91625863 SNMWLLUMMMWXRG-GOSISDBHSA-N 331.460 2.621 0 50 EFAA CC1(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CCNCC1 96166623 QATSKDUHFYHXEV-RBUKOAKNSA-N 338.451 2.967 0 50 EFAA COc1ccc(NC(=O)N[C@H](C(C)C)C(F)(F)F)cc1C(N)=O 97295167 IQJROKONMSGNCX-LLVKDONJSA-N 333.310 2.503 0 50 EFAA CN(C)[C@@H](C(=O)N(CCO)Cc1ccccc1F)c1ccc(F)cc1 95386882 XQOATUTZYNCYMW-GOSISDBHSA-N 348.393 2.589 0 50 EFAA Cc1cccc2nc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c(F)n12 97797724 SRCSOQULIXJKDX-CYBMUJFWSA-N 343.406 2.823 0 50 EFAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1cccc5ccccc15)[C@@H]42)[C@H]3O 243932119 BTAOAUGNXLFOGI-SLOQXAEBSA-N 335.403 2.935 0 50 EFAA O=C(COc1ccccc1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 243956776 CDTUHPKBSMVIFU-CFZJUORYSA-N 347.361 2.972 0 50 EFAA Cc1ccc([C@H]2CCN(C(=O)NCc3nc(C4CC4)n[nH]3)C2)c(C)c1 298072641 KLVRGBSYPWUIJB-HNNXBMFYSA-N 339.443 2.998 0 50 EFAA COc1cccc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)c1OC 299745305 XTXWESPXUWUANX-ZDUSSCGKSA-N 327.336 2.532 0 50 EFAA COc1cccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1 252536008 HKZINAYDFWPRDK-BJLQDIEVSA-N 339.435 2.736 0 50 EFAA CCCc1noc(CCCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n1 299750999 PCLHSFWYVVUGNI-MJBXVCDLSA-N 349.431 2.589 0 50 EFAA CC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CCCCC1 534640825 BPRDIHOFDMZKOJ-MRXNPFEDSA-N 347.434 2.979 0 50 EFAA COc1ccc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 367944159 XDHXNVYQRFNBEI-QZTJIDSGSA-N 328.387 2.710 0 50 EFAA CCc1nc2cc(NC(=O)N(C)[C@H]3CCN(C)C3)ccc2n1CC 299769015 LEBHOVKTJSYNJH-AWEZNQCLSA-N 329.448 2.786 0 50 EFAA O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCN(C(=O)c2ccco2)C1 827848335 KEKGARKTPNTGSD-CQSZACIVSA-N 348.349 2.521 0 50 EFAA COCCN1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 584885009 BTPWIRQLGOHGBJ-MRXNPFEDSA-N 328.412 2.531 0 50 EFAA CN1CCC(O)(C(=O)N(C)CCC23CC4CC(CC(C4)C2)C3)CC1 584901161 JCNXOAVNNWLCLH-UHFFFAOYSA-N 334.504 2.508 0 50 EFAA Cc1cc(Br)cnc1N1CCO[C@@H]([C@H]2CCCO2)C1 239882077 DAEIASDFGHNQQI-CHWSQXEVSA-N 327.222 2.537 0 50 EFAA CCOc1ccc(CNCc2csc(-c3cnccn3)n2)cn1 952974309 IKYRJNLNUMLHDV-UHFFFAOYSA-N 327.413 2.684 0 50 EFAA CC[C@H](C)n1ncc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1C 408395505 NCWRDQUGJRNXNS-OGHNNQOOSA-N 336.436 2.574 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@H]1COCCN1Cc1nc(-c2ccsc2)no1 408516350 LRBGUPZWEMLGBT-RRFJBIMHSA-N 349.456 2.550 0 50 EFAA CCN(CCCN(C)C)C(=O)Nc1cc(C(=O)OC)c(F)cc1F 170605351 GSASIBCRDPQGGF-UHFFFAOYSA-N 343.374 2.557 0 50 EFAA Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CN(C)C)c2)c1 170761302 FOPMUYALOOFBRM-UHFFFAOYSA-N 340.427 2.817 0 50 EFAA CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[nH]3)cc2)CCO1 272703235 GTEGTKTZBGTVDI-DOMZBBRYSA-N 329.404 2.647 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)NC[C@@H](c1ccccc1)C(F)(F)F 187693537 DHBFNGTWWIVEBU-ZDUSSCGKSA-N 338.333 2.618 0 50 EFAA FC(F)(F)c1ccccc1N1CC[C@H](NCc2csnn2)C1 187690854 LTQVTSVKEQNVQT-JTQLQIEISA-N 328.363 2.925 0 50 EFAA COCCn1ccc(C(=O)Nc2cc(-c3cc(C)ccc3F)n[nH]2)n1 189804337 KVOCLGDIYOANLF-UHFFFAOYSA-N 343.362 2.619 0 50 EFAA COc1ccc(C2(C(=O)N3C[C@@H](C)[C@H](CO)C3)CCCC2)cc1OC 191836668 STKSGEUKSJVDHK-CABCVRRESA-N 347.455 2.602 0 50 EFAA CN1C[C@H]2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C[C@H]2C1 192474324 VOIFHCPKFSSGCT-BETUJISGSA-N 338.373 2.757 0 50 EFAA C[C@H](CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)C1CC1)C(=O)O 192908064 QKVFKMXUBFOBLN-CYBMUJFWSA-N 343.423 2.850 0 50 EFAA O=C(Nc1ccc(F)cn1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 770246298 SCYZDKUEWZZMHQ-AWEZNQCLSA-N 343.358 2.818 0 50 EFAA O[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1Cc1ccccn1 1616083647 YUYDBTJGAUKZJC-ZBEGNZNMSA-N 338.238 2.819 0 50 EFAA CO[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)C1 1506418111 DNPPPYBEBYPBDU-QGZVFWFLSA-N 330.428 2.531 0 50 EFAA CCC[C@@H](NC(C)=O)C(=O)Nc1nnc(Cc2cccc(C)c2)s1 1529119196 CQTBRTAPZLTFAI-CQSZACIVSA-N 346.456 2.681 0 50 EFAA C[C@H](NC(=O)c1ccccc1NC(=O)CCC(=O)O)c1ccccc1 12137014 XTIUWJGFDKTGBD-ZDUSSCGKSA-N 340.379 2.981 0 50 EFAA COC(=O)c1cc2c(=O)n(-c3ccc(C(C)=O)cc3)ccc2nc1C 12407997 DOUWZEGBBRSGGE-UHFFFAOYSA-N 336.347 2.683 0 50 EFAA O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1ccccc1Cl 15074464 BOQOGOHHNLURFM-SFHVURJKSA-N 336.863 2.583 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nnn[nH]2)c1 16551861 OQDCFBLHFCYDAY-UHFFFAOYSA-N 343.774 2.846 0 50 EFAA O=C(c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)N1CCCCC1 18241545 XNABDKYJQGFSNC-IRXDYDNUSA-N 340.423 2.992 0 50 EFAA Cc1cc(CC(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)on1 1857674354 FBSHEWHCWUQMBZ-UHFFFAOYSA-N 336.395 2.543 0 50 EFAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4CCN(C)[C@H]4C3)o2)cc1 219330967 QVGCDCQFZDKYBG-ZBFHGGJFSA-N 326.396 2.731 0 50 EFAA C[C@@H]1CCCCN1S(=O)(=O)N(Cc1ccccc1)Cc1cc[nH]n1 225403509 CHVXHSGPLUYKAT-OAHLLOKOSA-N 348.472 2.531 0 50 EFAA C[C@@H](CN1CCCCCC1)NC(=O)N1CCC([C@@H]2CCCO2)CC1 225492771 PCNKWTNYRSCVSE-WMZOPIPTSA-N 337.508 2.852 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)cc2F)c1 225739146 MZKUGBRNZJVKPI-YJBOKZPZSA-N 347.361 2.850 0 50 EFAA CO[C@H]1C[C@H](c2nnc([C@H]3C[C@H]3c3ccc(F)cc3)o2)N(C(C)=O)C1 328620764 ACDRVHBFGKCHJD-YHUYYLMFSA-N 345.374 2.788 0 50 EFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN[C@H](c2ccncc2)C1 337654602 NAECGMLOJBMYAV-GUYCJALGSA-N 345.830 2.675 0 50 EFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 263836274 RHRIENOERZWDLR-SFHVURJKSA-N 338.455 2.881 0 50 EFAA CC1=NN(c2ccc(C(=O)N[C@H]3c4ccccc4C[C@@H]3O)cc2)CC1 267059682 GRIHOYSCBKMGIC-OALUTQOASA-N 335.407 2.661 0 50 EFAA O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cc(-c2c[nH]c3ccccc23)[nH]n1 906240257 NARJKALAXBSPAA-KBPBESRZSA-N 349.438 2.915 0 50 EFAA Cc1cn(CC(=O)N[C@H]2C[C@H](O)c3ccccc32)nc1C(F)(F)F 862191570 OQBCHCPFEJMMBO-STQMWFEESA-N 339.317 2.505 0 50 EFAA O=S(=O)(N1CCCCCC1)N1CCC[C@H](c2ccncc2)CC1 952880981 FNMCNBBAZRASSG-INIZCTEOSA-N 337.489 2.772 0 50 EFAA O=C(CCOc1cc(Cl)ccc1Cl)NC[C@H]1CCCC(=O)N1 1875271090 FLARPLCHHABPSH-LLVKDONJSA-N 345.226 2.547 0 50 EFAA C[C@H](CNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ncccc1F 1875313452 QWVWUFYNGUWOSA-RFAUZJTJSA-N 340.757 2.967 0 50 EFAA CC(C)(C)OC(=O)Nc1cc(NS(C)(=O)=O)c(F)c(F)c1F 1875339995 HFMVCRRSVJARNS-UHFFFAOYSA-N 340.323 2.822 0 50 EFAA CCn1nc(C)c(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)n1 1303847844 QJHWJJQTUOGYNN-UHFFFAOYSA-N 338.293 2.754 0 50 EFAA O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)[C@@H]1CCCOC1 889648171 QFLNXCIAKAHDKY-SSDOTTSWSA-N 342.168 2.830 0 50 EFAA Cc1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)ns1 889844072 KSXQNDYIQMDHPM-UHFFFAOYSA-N 342.428 2.637 0 50 EFAA Cc1ccc(-n2nnc(C(=O)N3CCOC[C@]3(C)C3CC3)c2C)cc1 890580419 BDBQKASBXUCTON-LJQANCHMSA-N 340.427 2.525 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)COCC3CCOCC3)cc2)c1C 2325791605 XOYDOHFBHMGUEG-UHFFFAOYSA-N 343.427 2.871 0 50 EFAA O=C(Nc1ncc(C2(O)CCC2)s1)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1 2325811947 ZWDYLXICDBSLDV-MPZDIEGVSA-N 336.457 2.640 0 50 EFAA CC(=O)NC[C@@H]1CN(C(=O)c2ccc([C@H]3CCC3(C)C)cc2)CCO1 2325849208 IQJJAYZMSYFZCP-QZTJIDSGSA-N 344.455 2.567 0 50 EFAA O=C(c1cccnc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 352133 MNQMTIYJBITVIB-HNNXBMFYSA-N 335.285 2.583 0 50 EFAA COc1cc(OC)cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 375717 HGHZTICEGOKLDQ-UHFFFAOYSA-N 334.397 2.733 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2O)cc1OC 457290 KLHRZOHXQHLJJG-UHFFFAOYSA-N 346.408 2.845 0 50 EFAA CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4725726 DWZHXUNRCNVFJE-KRWDZBQOSA-N 326.396 2.660 0 50 EFAA CC[C@@H](CO)NCc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 4840496 DTLJXMDJHIJUFG-ROUUACIJSA-N 345.439 2.668 0 50 EFAA CCOC(=O)[C@H]1CCCN(CC(=O)Nc2nc3ccccc3s2)C1 4983887 NLSGKSVGSQANDG-LBPRGKRZSA-N 347.440 2.510 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 6726405 XNALZKYTRNJOCS-JKSUJKDBSA-N 344.411 2.752 0 50 EFAA NC(=O)COc1ccc(Br)cc1CNC1CCCCC1 6743155 LXZXYFLDFSDWBC-UHFFFAOYSA-N 341.249 2.736 0 50 EFAA C[C@H]1Cc2cc(C(=O)Nc3ccccc3)ccc2N1S(C)(=O)=O 7913971 FRONLUPUYUPUPH-LBPRGKRZSA-N 330.409 2.650 0 50 EFAA C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1C[C@H]2[C@H](C1)C2(C)C 246486080 VZPQVDHMSADGPV-UBDQQSCGSA-N 342.487 2.589 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NCCc2ccccn2)cc1 55371254 NKGKWQUMMKVTPV-UHFFFAOYSA-N 325.412 2.722 0 50 EFAA COc1cc(OC)cc(N2CCCN(c3cc(C)ncn3)CC2)c1 343603817 ODQPJGFJNDBCMZ-UHFFFAOYSA-N 328.416 2.519 0 50 EFAA Nc1cc(O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1 9704020 ASNJEUPGNOEURB-UHFFFAOYSA-N 326.381 2.648 0 50 EFAA Cc1ncsc1CCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 20992193 KIXPBBUBSGZTQC-CQSZACIVSA-N 349.500 2.682 0 50 EFAA Cc1c(CN2CC[C@H](CNC(=O)c3cccnn3)C2)[nH]c2ccccc12 67817398 RVQJZVBDHSGQJQ-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA CCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)ncn1 352896885 KKNROXHDJMUGJQ-KBPBESRZSA-N 349.410 2.505 0 50 EFAA CCN(CC)c1ccc(NC(=O)c2cnc(C3OCCO3)s2)cn1 252486686 HOPOZWCHCURWJM-UHFFFAOYSA-N 348.428 2.682 0 50 EFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CNC(=O)c1ccccc1 252506296 VYRGOKYXICKBNO-GFCCVEGCSA-N 328.334 2.606 0 50 EFAA CCc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2nc[nH]c2C)C1 67909899 ILCZJJDJLGFXPI-INIZCTEOSA-N 340.471 2.923 0 50 EFAA CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 32594091 RCKPCRUERGGWHA-UHFFFAOYSA-N 326.352 2.693 0 50 EFAA O=C(N[C@H]1CSC[C@H]1OC(=O)c1ccccc1)c1ccccc1 356620 PGAMNPSQOQDEBO-JKSUJKDBSA-N 327.405 2.757 0 50 EFAA biogenic COc1cc(/C=C/C(=O)N[C@H]2CCSC2=O)ccc1OC(C)C 1459659 FCHHWRWBSSCOPU-IYNGYCSASA-N 335.425 2.644 0 50 EFAA COc1cccc(C(=O)Nc2ncn(Cc3ccccc3)n2)c1OC 2799922 NUBDNJBJQXEMRE-UHFFFAOYSA-N 338.367 2.596 0 50 EFAA CN1C[C@@]2(CCCN(Cc3cn[nH]c3-c3cccc(F)c3)C2)OC1=O 215788013 KWHJFSAHARWTFO-GOSISDBHSA-N 344.390 2.632 0 50 EFAA C[C@@H]1CN(C(=O)Cn2ccc3ccccc3c2=O)Cc2ccccc2O1 355903871 HOSBFSUFHSHLIH-OAHLLOKOSA-N 348.402 2.811 0 50 EFAA CCCCCCOC(=O)[C@H]1CN1[C@@H](Cc1ccccc1)C(=O)OCC 36246831 MXCHQFBWHCWGRT-GARIHTGFSA-N 347.455 2.969 0 50 EFAA COC(=O)[C@H]1CC12CCN(C(=O)c1c(F)cccc1SC)CC2 253395681 ZQEGVXFDIBQPRQ-LLVKDONJSA-N 337.416 2.963 0 50 EFAA COCC[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(C)o1 253425612 SJIPTEWWNJLLOH-CVEARBPZSA-N 335.448 2.545 0 50 EFAA CSCC[C@H](N)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 77285246 QUWSTIACCNUBRE-HNNXBMFYSA-N 342.892 2.790 0 50 EFAA CN(C)C[C@H](CO)Nc1ncnc2scc(-c3ccccc3)c12 253426837 BDMXYRCBFXBSGW-CYBMUJFWSA-N 328.441 2.693 0 50 EFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 77470558 SWIFJTGEHHTCQK-ZDUSSCGKSA-N 339.374 2.959 0 50 EFAA Cc1cccc2[nH]c(CCNC(=O)CCn3cnc4ccccc43)nc12 215072188 FADDIJPWXUCJIS-UHFFFAOYSA-N 347.422 2.970 0 50 EFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CNC(=O)C2 73316800 BZMVLTOVNFEFGK-HNNXBMFYSA-N 344.455 2.708 0 50 EFAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)C1 172826431 AJOPMCWWCIRIEP-CQSZACIVSA-N 343.431 2.579 0 50 EFAA O=C(Cc1coc2ccccc12)NC[C@H]1CCCN1c1cccnn1 367596125 DORMXUIZMMNXCO-OAHLLOKOSA-N 336.395 2.551 0 50 EFAA CC[C@H](O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 156153175 LJUQUVURPBOJMR-ZDUSSCGKSA-N 341.436 2.952 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@]34CCOC4=O)n[nH]2)c(C)c1 368726128 DMPVWVCTNUDCJY-LJQANCHMSA-N 339.395 2.615 0 50 EFAA CCOc1cc(CN2CCCC[C@H]2C(=O)NC)c(Cl)cc1OC 215012394 PQPIAIYKACAAPV-AWEZNQCLSA-N 340.851 2.848 0 50 EFAA CC[C@H]1CN(Cc2ccccc2OCCCn2ccnc2)CCN1C 215813188 LEEFMSRCEPGAKH-IBGZPJMESA-N 342.487 2.878 0 50 EFAA O=C(Cn1ccccc1=O)N1CCc2c(Cl)cc(Cl)cc2C1 133166671 YMKJEALPMIEBIL-UHFFFAOYSA-N 337.206 2.740 0 50 EFAA Cc1nc(C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(=O)[nH]1 77539191 NYVKPAHAOYSBMS-UHFFFAOYSA-N 347.422 2.919 0 50 EFAA Cc1cc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)no1 242339169 ZFMDRGNFYORZMM-UHFFFAOYSA-N 325.372 2.714 0 50 EFAA O[C@@]1(Cn2ccnn2)CCCN(CCc2ccc3ccccc3c2)C1 284652228 VKGRSTBKNURCSH-FQEVSTJZSA-N 336.439 2.501 0 50 EFAA Cc1ncoc1C(=O)N1C[C@@H]2CCC[C@]2(c2nc(C(C)C)no2)C1 338109600 TWLKPZNIEBIBFU-SJCJKPOMSA-N 330.388 2.683 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2ncccn2)C1 46422301 HLJPRICIHMGPMG-MRXNPFEDSA-N 349.438 2.676 0 50 EFAA O=C(c1n[nH]c(=O)c2ccccc12)N(CC1CCC1)CC(F)(F)F 175031318 OWBIBHWRKSUJJG-UHFFFAOYSA-N 339.317 2.728 0 50 EFAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 175347667 OFFLZZLEVBDASR-NVXWUHKLSA-N 329.444 2.863 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)CCc3scnc3C)CC2)nc1 82127661 GWGUZUUBUXSKDV-UHFFFAOYSA-N 345.468 2.598 0 50 EFAA COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@@]3(CCOC3)C2)c1 176469330 BGDHATDLNCYTGR-MRXNPFEDSA-N 338.791 2.771 0 50 EFAA CSc1nc(C(=O)NCc2noc(Cc3ccccc3)n2)cs1 220209433 VXBXQTQTALACHS-UHFFFAOYSA-N 346.437 2.769 0 50 EFAA O=C(Cn1nc(-c2ccco2)ccc1=O)NCCC1=CCCCC1 49547597 WOADPJTZCXKHFS-UHFFFAOYSA-N 327.384 2.510 0 50 EFAA Cc1cc(C)c(CC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(C)c1 180148696 NOLVFJGYIOGJDV-HXUWFJFHSA-N 345.531 2.543 0 50 EFAA NCCOc1ccc(CC(=O)NCc2c(F)cccc2Cl)cc1 426377975 LDFQGLYXYLLYRN-UHFFFAOYSA-N 336.794 2.676 0 50 EFAA O=C(NCCc1cn2ccccc2n1)c1ccc([C@H]2CCCN2)s1 20999094 IVFOCLONOCNUSQ-CQSZACIVSA-N 340.452 2.793 0 50 EFAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1O 82145917 PXWYPCCKOMOXHZ-UHFFFAOYSA-N 344.798 2.843 0 50 EFAA CN(C)CCCNC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 426550686 VJGPKGCDDYVTOR-HNNXBMFYSA-N 337.439 2.578 0 50 EFAA O=C(O)c1ccc(CNC(=O)c2cnc(Nc3ccccc3)nc2)cc1 95382742 OBLSJOROLPYCOX-UHFFFAOYSA-N 348.362 2.848 0 50 EFAA OCc1ccnc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c1 95522361 BOULAFSVLDMAAS-KRWDZBQOSA-N 349.438 2.598 0 50 EFAA COc1ccc(Cn2ncnc2CCc2n[nH]c3c2CCCC3)cc1 97506073 DTBJCISTACQKPT-UHFFFAOYSA-N 337.427 2.722 0 50 EFAA Cc1cccn2c(CC(=O)N[C@@H](c3ccccc3)[C@H]3C[C@@H](O)C3)cnc12 244715881 LDXSRMLCOWMDDH-HQRMLTQVSA-N 349.434 2.814 0 50 EFAA CCN(CC(=O)Nc1nc(C(C)(C)C)cs1)Cc1nc(C)no1 244633418 GCPLBSUZIGMFPX-UHFFFAOYSA-N 337.449 2.593 0 50 EFAA C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Cl)cc23)CCN(C2CC2)C1 295268871 GTEDXIYKXVMJPE-NSHDSACASA-N 332.835 2.773 0 50 EFAA CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]([C@H]5[C@H]6CCC[C@H]6[C@@H]1[C@H]53)[C@H](O)[C@@H]1CC[C@@H]2[C@H]41 253489441 FGFFAYLZTPAYER-JRSYZFJUSA-N 328.452 2.719 0 50 EFAA Cc1c(NC(=O)N2CCc3n[nH]cc3C2)cccc1N1CCCC1 299800595 UEIPBZVWRPNBGG-UHFFFAOYSA-N 325.416 2.909 0 50 EFAA O=C(O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O 299784539 XVWRMMCREGGKBB-SFHVURJKSA-N 333.359 2.630 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CCCc3cn[nH]c3)CC2)c1 828014959 SJDMAMVOOCDJLI-UHFFFAOYSA-N 326.444 2.826 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCCSc3nc[nH]n3)o2)cc1 824689335 XMNZOGIYHUPXTN-UHFFFAOYSA-N 344.396 2.595 0 50 EFAA CCCCn1nc(CC(N)=O)nc1-c1ccc2sc(C)nc2c1 822888690 GGXSDHGTGYMEDD-UHFFFAOYSA-N 329.429 2.691 0 50 EFAA O=C(NCCN1CCCc2ccccc21)[C@@H](O)c1cccc(Cl)c1 825578286 SUVDUHOGEKCWFS-SFHVURJKSA-N 344.842 2.942 0 50 EFAA O=C(Cc1nc(C(F)(F)F)cs1)NC[C@@H](O)C1CCCCC1 1362231754 LHFLIZYDVGZXOR-SNVBAGLBSA-N 336.379 2.762 0 50 EFAA Nc1n[nH]c(C2CCN(Cc3cc(C4CCCCC4)no3)CC2)n1 1506406924 PRCOWYWFLXFBDR-UHFFFAOYSA-N 330.436 2.802 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)C1(c2ccc(OC)cc2)CCCC1 1565515995 YJPBFNGFICAHKA-ROUUACIJSA-N 347.455 2.817 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCO[C@@H]1C(C)C 408474836 SJMNOQINMOQOQY-MAUKXSAKSA-N 347.459 2.616 0 50 EFAA CC(C)N1CCN(CCCN2CCC=C(c3ccccn3)C2)CC1 408519066 WSEFTZUGPPORLL-UHFFFAOYSA-N 328.504 2.587 0 50 EFAA CCOC(=O)C(F)(F)[C@H](NCc1nnc(CC)o1)c1ccccc1 408524531 VGHILRMMYDPNJQ-CQSZACIVSA-N 339.342 2.661 0 50 EFAA O=C(c1ccc(OCc2nnc3n2CCCCC3)cc1)N1CCCC1 278550133 BICRYXZTGCWXNE-UHFFFAOYSA-N 340.427 2.820 0 50 EFAA CCN(C)C(=O)CCN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280360133 IUHNZSNMXKEYJJ-DOMZBBRYSA-N 344.377 2.682 0 50 EFAA O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)CCN12 187452747 QWPWUBAEKJMRQY-GFCCVEGCSA-N 333.741 2.568 0 50 EFAA Cc1cc(S(=O)(=O)NCCc2c(C)noc2C)sc1Cl 187869257 KTWHYBFWOHKHKW-UHFFFAOYSA-N 334.850 2.836 0 50 EFAA O=C(Nc1ccc2c(c1)CCCO2)N1CCC(Cn2cncn2)CC1 188825835 GVOANOBTRFNXRG-UHFFFAOYSA-N 341.415 2.547 0 50 EFAA CC[C@@]1(CO)CCCN1C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 190454381 QNPYCJXISSMAHW-SFHVURJKSA-N 343.431 2.653 0 50 EFAA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc2ncccn2n1 644964103 RHQDLCSUGCWZRP-UHFFFAOYSA-N 349.394 2.589 0 50 EFAA Cc1ccc2c(c1Br)CN(C(=O)NC[C@@H]1CCCO1)C2 661531961 XDRJNPCXFLHCEE-LBPRGKRZSA-N 339.233 2.962 0 50 EFAA CN(CC(=O)O)c1ncc(CN2CCC[C@H](C(C)(C)C)CC2)cn1 1506401929 KUOHVZVHIDKXES-HNNXBMFYSA-N 334.464 2.646 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1c1ccc(C)o1 219431290 VSWXZEMHXWOAGJ-HOTGVXAUSA-N 346.452 2.713 0 50 EFAA CCOc1ccc(C(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)cc1Cl 1772710374 QOSYWAQLTLTEQT-DGCLKSJQSA-N 336.819 2.574 0 50 EFAA COc1cc(C(=O)N2CCCN(c3nc(C)c(C)s3)CC2)ccn1 1772816281 LYFXGIGQUXDBQM-UHFFFAOYSA-N 346.456 2.516 0 50 EFAA O=C(C1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12204070 OMZRHDWTFFGKKD-LJQANCHMSA-N 348.393 2.716 0 50 EFAA CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 12403822 UDFDHFMNSUOURS-HOTGVXAUSA-N 346.427 2.998 0 50 EFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCC1 12476912 UPUYBYQDCSKMRD-CYBMUJFWSA-N 340.345 2.723 0 50 EFAA O=C(Nc1cccnc1)C1CCN(C(=O)c2cccc(F)c2)CC1 12864020 GZPOCYLHYZUQSK-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA CC(C)c1nc(-c2nccn2-c2ccc(Oc3nn[nH]n3)cc2)co1 1857683382 WJVODXRXEHZWHS-UHFFFAOYSA-N 337.343 2.956 0 50 EFAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3)C[C@]23CC[C@H]1O3 1857712160 FMMVQLUATYCGNR-XKGFGPFHSA-N 342.483 2.828 0 50 EFAA CSc1cccc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)c1 1875245032 HCWJEIXIAULGTJ-ROUUACIJSA-N 343.448 2.983 0 50 EFAA CC[C@@H](C)NC(=O)COc1c(Cl)cccc1CCC(=O)OC 408524958 CROZQUNEZUCEIX-LLVKDONJSA-N 327.808 2.739 0 50 EFAA O=C(Cc1cccc(O)c1)N[C@@H]1CCN(c2ccccc2Cl)C1=O 111630442 SWTMTUPHKPHLFP-OAHLLOKOSA-N 344.798 2.510 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(Cl)c1 340771654 DBNTZSXBYOBGKC-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348260717 ODTYXWWCQJJXFO-JKSUJKDBSA-N 345.370 2.548 0 50 EFAA COc1ccc(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1OC 363175513 VUCNPPFINFZTLV-UHFFFAOYSA-N 338.367 2.670 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 263144163 YOUQUNBKOKFPID-SOUVJXGZSA-N 340.379 2.975 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)c1C 815315669 OOFASVRHTGVGLD-KRWDZBQOSA-N 335.835 2.697 0 50 EFAA Cc1ccc(N(C)C(=O)c2nn(C(C)C)cc2Br)nn1 903638462 GXHXKRGNACQEKZ-UHFFFAOYSA-N 338.209 2.602 0 50 EFAA CCn1nc(C)c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 816592564 NKXGSCPVXVPCMV-LLVKDONJSA-N 330.354 2.801 0 50 EFAA O=C(Cn1cnnn1)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 828002342 TWURKFHKIRXNGQ-KRWDZBQOSA-N 325.416 2.597 0 50 EFAA COc1nc(-c2noc(-c3cnc4c(c3)c(C)nn4C)n2)sc1C 1875285838 CAURJTTZWRHDLK-UHFFFAOYSA-N 342.384 2.767 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cccc(O)c2)n2ncnc2n1 1875297128 CYQKPKFIIZRPTN-OAHLLOKOSA-N 337.383 2.506 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)C[C@@]1(C)CN 388515176 KSPLGZXSZNHTSR-YMTOWFKASA-N 329.213 2.645 0 50 EFAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(=O)O 1857796611 HBCKSUIPNLKWFP-UHFFFAOYSA-N 333.365 2.923 0 50 EFAA COC(=O)[C@@H](OC(=O)c1cc(O)nc(Cl)c1)c1ccsc1 2325747200 RYTXHCLWMTZQPO-NSHDSACASA-N 327.745 2.573 0 50 EFAA C[C@@H](NCc1oc(-c2ccccc2)nc1C(=O)O)[C@@H]1CCCOC1 2325803446 HQTQTAOIQDLWHP-TZMCWYRMSA-N 330.384 2.945 0 50 EFAA COCCn1nc(-c2ccccc2)nc1[C@H]1CCN2CCC[C@H]2C1 2325849675 XKJOUCGGTJTZGX-IRXDYDNUSA-N 326.444 2.933 0 50 EFAA Oc1ccc2c(c1)O[C@H](c1nc(-c3ccc4c(c3)OCO4)no1)CO2 904536761 HHFCWDJNBKRCNL-HNNXBMFYSA-N 340.291 2.683 0 50 EFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 245289743 DUOAKGFNNSMCCK-KBRIMQKVSA-N 341.411 2.629 0 50 EFAA COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)cc1 87355 UQBTUZYMEGHSKV-KRWDZBQOSA-N 348.399 2.945 0 50 EFAA CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC 202238 MFOXHRJJDNKHBJ-UHFFFAOYSA-N 337.379 2.958 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 269980 PSQDMZUIZOACLE-LBPRGKRZSA-N 333.409 2.844 0 50 EFAA COC(=O)COc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 614002 WRTZXNTVPLSSMD-UHFFFAOYSA-N 345.351 2.508 0 50 EFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2O)c2ccccc21 1064194 UIIHNNCGCDUWMK-OAQYLSRUSA-N 347.370 2.982 0 50 EFAA Cc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1Cl 1072100 MMZSQDZTNOEKIJ-LBPRGKRZSA-N 332.787 2.911 0 50 EFAA CCOC(=O)c1ccc(CN(C(=O)CCC(=O)O)C(C)(C)C)cc1 2275583 PHJKZNMYBYKNEC-UHFFFAOYSA-N 335.400 2.855 0 50 EFAA Cc1cccn2c(CC(=O)N3CCC(OC(F)(F)F)CC3)cnc12 2356139160 CSQCQVAJRIHLDN-UHFFFAOYSA-N 341.333 2.713 0 50 EFAA C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 2856877 ZJWXEKOJVMSMBF-ZDUSSCGKSA-N 330.815 2.876 0 50 EFAA CC[C@@]1(CCC(C)C)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O 2898088 ZXCQNSJGVZQDCJ-GOSISDBHSA-N 348.374 2.877 0 50 EFAA OC[C@@]12COC[C@@H]1CN(c1ccnc3c(C(F)(F)F)cccc13)C2 2356155036 UYDCLNNEJOPHGH-ZBEGNZNMSA-N 338.329 2.699 0 50 EFAA OC[C@@H](O)Cn1c(SCCOc2ccccc2)nc2ccccc21 4286247 WMTAJYANIFOQQE-AWEZNQCLSA-N 344.436 2.561 0 50 EFAA COc1ccc(NC(=S)NC2CCN(C(C)C)CC2)c(OC)c1 4999152 ZCLDVABMGYLPIQ-UHFFFAOYSA-N 337.489 2.863 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2cnccn2)cc1 55225693 GPGAVVOCICOYIY-AWEZNQCLSA-N 340.427 2.505 0 50 EFAA CCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)o1 8655952 ZVYHCWDPPFDSGR-UHFFFAOYSA-N 341.319 2.655 0 50 EFAA CCn1nc(C)c(CN(CCOC)Cc2cccc3c2OCO3)c1C 55118776 WXFBSSVDKFHENA-UHFFFAOYSA-N 345.443 2.897 0 50 EFAA COc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 54530045 SLWSEHAQNPRDLB-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA C[C@H](OC[C@H]1CCCCO1)C(=O)OCc1conc1C(F)(F)F 225858520 ZXTABSMZWWBXNM-GXSJLCMTSA-N 337.294 2.711 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 59740460 MZGWTENDADUDED-CQSZACIVSA-N 345.443 2.868 0 50 EFAA O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCOCC3)ncc21 9287270 MVMGNZWFFRKVML-GFCCVEGCSA-N 345.349 2.504 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 101677586 MRTQBTFGUQGBCY-CUINURIISA-N 338.407 2.519 0 50 EFAA Cc1csc(N2CCCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)n1 247949917 JXMJXRDDAJHTJO-KGLIPLIRSA-N 331.441 2.887 0 50 EFAA OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1cccs1 20598657 CXDVBYDPZQONAT-SFHVURJKSA-N 330.497 2.859 0 50 EFAA CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(C(C)(C)C)cc2)C1 69104832 RPWMMMRVMJUPIX-QGZVFWFLSA-N 331.460 2.794 0 50 EFAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C1c2ccccc2-c2ccccc21 65375527 QXEOYPYNWKTMBK-KGLIPLIRSA-N 332.403 2.678 0 50 EFAA Cc1ccc(C2(O)CCN(C[C@H]3COc4ccccc4O3)CC2)nc1 67981919 KKSFBCQQWZTCQR-INIZCTEOSA-N 340.423 2.513 0 50 EFAA CCOc1ccc(CN2CCN(C3CCCC3)C[C@@H]2CCO)cc1 23375425 JSWLOTNLJLCIRE-IBGZPJMESA-N 332.488 2.897 0 50 EFAA CCN(CC)CCO[C@H]1CCN(C(=O)c2cccc3cccnc23)C1 349265387 JUBPELLKJMBNML-KRWDZBQOSA-N 341.455 2.808 0 50 EFAA C[C@H](CC1=CCCN(C)C1)NC(=O)c1ccc2c(c1)OC(F)(F)O2 67921445 YXGOMSXGPCCCQV-LLVKDONJSA-N 338.354 2.778 0 50 EFAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 818313374 PORDWRVBJDHZAZ-AWEZNQCLSA-N 349.280 2.550 0 50 EFAA CCc1csc(CN[C@H](C)Cn2cnc3ccccc3c2=O)n1 67641817 ZMCGAWDRRXUSTB-GFCCVEGCSA-N 328.441 2.594 0 50 EFAA CC(C)(C(=O)N1CCC2(CCNC(=O)CC2)CC1)c1ccccc1 67975416 MGLDXWRKWZKHHP-UHFFFAOYSA-N 328.456 2.873 0 50 EFAA CCNc1cnc(-c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)cn1 354135134 BVLCLQFOFAEUNG-SWLSCSKDSA-N 338.371 2.599 0 50 EFAA C[C@@H]1C[C@@H](c2ccsc2)CN1[C@H]1CCCN(c2cnn(C)c2)C1=O 252512213 OCRJSZPLSYKLRB-UNEWFSDZSA-N 344.484 2.855 0 50 EFAA O=C(NCCNCc1ccc(Br)o1)c1cccs1 170611327 FPFYWAWFEJPAFI-UHFFFAOYSA-N 329.219 2.623 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CN[C@H]1CN2CCC1CC2 67894914 OOSJGXJLHJBMAT-FQEVSTJZSA-N 336.483 2.902 0 50 EFAA Cc1cc(F)cc(NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)c1 122379889 PZWWKVZLMRZHFW-UHFFFAOYSA-N 338.342 2.897 0 50 EFAA C[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1F 122687614 HNIVLZGTNOQDRO-CYBMUJFWSA-N 328.391 2.571 0 50 EFAA CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 4934725 LQMSECXGKAUFCR-MRXNPFEDSA-N 343.452 2.989 0 50 EFAA O=C(O)C1(n2cnc3ccccc32)CCN(c2ccncc2F)CC1 72421352 BIEAWUKJEMZKOX-UHFFFAOYSA-N 340.358 2.651 0 50 EFAA Cn1ccc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)cc1=O 253415680 AVGMHLDOXTUNIO-UHFFFAOYSA-N 337.354 2.766 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 77503449 DISYUIHEJFRIQF-ZDUSSCGKSA-N 344.484 2.850 0 50 EFAA CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 332277807 XTGRNADIKSAKHS-WCQYABFASA-N 337.489 2.563 0 50 EFAA O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)Nc1cccnn1 151823070 LTSYHNSBMSJGBX-LBPRGKRZSA-N 331.351 2.851 0 50 EFAA COc1cc(OC2CC2)ccc1C(=O)N(C)CC1CCN(C)CC1 359617108 HNHGBHQJMBCCSR-UHFFFAOYSA-N 332.444 2.650 0 50 EFAA C[C@@H](C(=O)NS(=O)(=O)C1CCCCC1)c1c(F)cccc1F 154673753 HFMXJTITSLTBMN-SNVBAGLBSA-N 331.384 2.847 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3nc[nH]c23)C1 128235172 KAGNRYHIMIDAEX-NEPJUHHUSA-N 349.316 2.684 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2csc(CN)n2)[C@@H](C)CO1 237707338 SBIMZFHZAOCLIM-WFASDCNBSA-N 331.441 2.512 0 50 EFAA O=C(O)COc1cccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1 262823800 QEQINDSHEKMFSO-YTQUADARSA-N 337.375 2.608 0 50 EFAA Cc1nc(N)ncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71662413 NOHUFKISVMXAEH-HNNXBMFYSA-N 342.418 2.991 0 50 EFAA COCCOC1CCC(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)CC1 373533237 BAJNHKZDUZEZAT-JCYILVPMSA-N 349.475 2.912 0 50 EFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(C(=O)O)n1)[C@H]2C 262904683 XZEIRKJFTLEBQP-RYUDHWBXSA-N 340.379 2.936 0 50 EFAA CN(OCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)nc1 378544788 SWHXZKVRHQGOHP-UHFFFAOYSA-N 337.383 2.541 0 50 EFAA Cc1nn(C)cc1-c1cc(C(=O)O)n2nc(-c3ccccc3)cc2n1 13645739 DDHDTBUBCAMJBL-UHFFFAOYSA-N 333.351 2.803 0 50 EFAA CC(C)c1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(=O)[nH]1 71774471 KWOXHJCWPXYTAH-SFHVURJKSA-N 339.439 2.627 0 50 EFAA CCOCCOc1ccccc1C(=O)N1CCO[C@@H](C(F)(F)F)C1 71753908 XSTMMRYTGDMCIS-CQSZACIVSA-N 347.333 2.505 0 50 EFAA COc1cccc(N2CCN(c3ccc4cc[nH]c4n3)[C@H](C)C2=O)c1 72148076 BYCOCZZMDPKDPU-CYBMUJFWSA-N 336.395 2.813 0 50 EFAA C[C@H](C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 173071270 VCSGITNAHYMCAN-WMLDXEAASA-N 342.418 2.847 0 50 EFAA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCc1cccs1 239654028 BMIJVKAUDFYCOH-GFCCVEGCSA-N 335.454 2.767 0 50 EFAA CNC(=O)c1cccc(NC(=O)c2cnn(C)c2Cc2ccccc2)c1 337198378 AAFUDCWVJFDSFE-UHFFFAOYSA-N 348.406 2.623 0 50 EFAA O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[C@@H]1c1nc[nH]n1 241121898 JEPNCPPFLOXYGM-JKSUJKDBSA-N 349.394 2.563 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 242242325 XTWNSSLULCMLMZ-ZDRJDWQYSA-N 344.455 2.733 0 50 EFAA CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cc2ccccc2o1 131546342 PTEOLPNMFLWBKM-UHFFFAOYSA-N 331.349 2.956 0 50 EFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccncc1 220024055 NSIFPUZNRDDEDS-KVWWFHCMSA-N 333.391 2.872 0 50 EFAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(CC(=O)O)c3n2)cn1 20349780 WBSOYVWGOUNQKL-UHFFFAOYSA-N 335.314 2.645 0 50 EFAA O=C(Cc1cccc2ccccc12)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286364554 PPBPOGYFGDZYAJ-ZCNNSNEGSA-N 339.435 2.771 0 50 EFAA CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](CNc2ccccn2)C1 222197907 ZZIQDQBOEYBTKD-IRXDYDNUSA-N 330.476 2.607 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1 175808831 YSIATHCPEYIZBU-XMMPIXPASA-N 346.456 2.565 0 50 EFAA CSc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 82125513 UIRODIDCMCCBMK-QGZVFWFLSA-N 348.512 2.664 0 50 EFAA CCCc1nnc(NCc2cc3n(n2)CCCN(CCC)C3)s1 82138611 KKSNBMIQXCULMI-UHFFFAOYSA-N 334.493 2.915 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 82171971 JFKBXTQKFLIPMP-OAHLLOKOSA-N 337.383 2.687 0 50 EFAA Cc1cc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)ccc1F 82136866 HWBQHUQAIBCCCX-FQEVSTJZSA-N 348.462 2.721 0 50 EFAA CC(C)(C)c1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n[nH]1 92098713 YQDPSZNHPOZPIX-FQEVSTJZSA-N 344.503 2.932 0 50 EFAA Cc1ncsc1CCN(C)C(=O)Cn1sc2ccccc2c1=O 95522927 HZXMTNANXKCUOE-UHFFFAOYSA-N 347.465 2.529 0 50 EFAA O=C(CCCN1CCCCC1)N[C@@H](C(=O)O)c1ccc(Cl)cc1 95519756 JIINTEDCTKZUCK-MRXNPFEDSA-N 338.835 2.848 0 50 EFAA CC[C@@H](CO)N(Cc1ccncc1)C(=O)Nc1cccc(N(C)C)c1 96138497 BYUAYPSSKYCAPG-KRWDZBQOSA-N 342.443 2.953 0 50 EFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(C)nc2)C3)cc1 96142129 LSJUSQREEBWPIF-UHFFFAOYSA-N 348.406 2.987 0 50 EFAA COc1ccc(-n2nc(C3CCCC3)nc2CCS(C)(=O)=O)cc1 96165746 UGNMRUNYXNAJQC-UHFFFAOYSA-N 349.456 2.521 0 50 EFAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c(Cl)c1OC 91769570 NUDSLYWWPXYWEB-QWHCGFSZSA-N 339.819 2.900 0 50 EFAA CCc1oc(C(=O)N2CCc3[nH]cnc3C2)cc1CN(CC)CC 96153213 UVAJNNFTYAUWCX-UHFFFAOYSA-N 330.432 2.605 0 50 EFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@H](c2ncc[nH]2)C1 95503485 VQRFVSXTNFBVMA-JTQLQIEISA-N 347.781 2.870 0 50 EFAA CN(C(=O)c1cccc(-n2cccn2)c1)[C@H](C(=O)O)c1cccs1 95353166 GJDPDDGOZUEFID-HNNXBMFYSA-N 341.392 2.832 0 50 EFAA CCCn1cc(C(=O)NCCc2noc(-c3ccccc3)n2)c(C)n1 91780041 HDIUOCNKWMKOMU-UHFFFAOYSA-N 339.399 2.624 0 50 EFAA CSCCc1nc([C@@H](C)n2cncn2)n(-c2ccccc2C)n1 95527700 GYPXAVCIGQIBJB-CYBMUJFWSA-N 328.445 2.682 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)O)c1 239025544 BTEWSGMMIUOGIN-YHPRMOQLSA-N 325.364 2.597 0 50 EFAA CO[C@](C)(C(=O)N[C@H](C)c1ccc(Br)cn1)C1CC1 293434247 UVEOPRHURXYGSY-OTYXRUKQSA-N 327.222 2.836 0 50 EFAA CCc1nc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)o1 293514296 YIADJJCRTKRXJN-AWEZNQCLSA-N 342.443 2.896 0 50 EFAA COc1cc(OC)cc([C@@H](O)CNc2ncnc3cc(F)ccc23)c1 95378999 WUYAAMMZJUMVNV-KRWDZBQOSA-N 343.358 2.932 0 50 EFAA COc1nc(C)c(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)s1 244641212 GLKRRJZOCJURDK-JFGNBEQYSA-N 338.454 2.764 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 244795187 RBEQHFFNBFYTII-SHTZXODSSA-N 340.475 2.578 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)[C@@H](CC(C)C)n2cccc2)c1 253414820 YSFJLOYCFKPXOP-QGZVFWFLSA-N 338.415 2.998 0 50 EFAA Cc1ccc2nc(CN(C)C(=O)c3cc(C(C)C)nc(N)n3)[nH]c2c1 1506400428 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CCCn1ncc(CN2CC[C@@H](Cc3nc(C(=O)O)cs3)C2)c1C 1875298589 GXIXSYRSVHHIDO-ZDUSSCGKSA-N 348.472 2.821 0 50 EFAA CC(=O)N1CCC[C@H]1c1noc([C@H](C)Oc2ccc(Cl)nc2)n1 1875269521 VDJWLBPKLVBPFK-CABZTGNLSA-N 336.779 2.941 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]2C[C@@H]21)c1ccccc1N1CCOCC1 1875258055 KDTPPOARPDDARX-MPGHIAIKSA-N 329.444 2.778 0 50 EFAA CCOC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cccc(C(=O)O)c1 1875269668 NYEMHOPEFJTQAB-XYPWUTKMSA-N 332.400 2.626 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@H]1OCCc2sccc21 881964564 AXXRIHCADVMIRB-MRXNPFEDSA-N 347.484 2.803 0 50 EFAA c1ccc(CCOCCCN[C@H]2CCOC3(CCOCC3)C2)cc1 885926533 FCZZCIPIPNHUSU-IBGZPJMESA-N 333.472 2.954 0 50 EFAA CCN1C(=O)C[C@@H](CNc2nc3ccccc3o2)[C@@H]1c1nccn1C 886040552 LZMCZDIGQLWXFE-BLLLJJGKSA-N 339.399 2.583 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2F)nn1 886097399 YTLWYYKJYSGZLE-LLVKDONJSA-N 338.745 2.968 0 50 EFAA O=C(c1cccc(Oc2cnccn2)c1)N1CCOC[C@@H]1CC1CC1 886463976 LZEQISJZCLDHGE-INIZCTEOSA-N 339.395 2.910 0 50 EFAA 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2.511 0 50 EFAA Cc1cc(C)c(CN2CCC[C@H](c3ncn[nH]3)C2)c(-n2cccn2)c1 215710237 HNMFPFNBTREGTC-INIZCTEOSA-N 336.443 2.987 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)Cc1cnc2ccccc2c1 131510402 CIPZENACBCMDCA-GOSISDBHSA-N 334.423 2.973 0 50 EFAA Cc1nc2nc(CN3CCCCC[C@H]3c3ccco3)cc(O)n2n1 77385239 OHSHQTFJPVAQNO-AWEZNQCLSA-N 327.388 2.849 0 50 EFAA CCCN(CCN1CCCCC1)C(=O)c1ccc2c(c1)CCC(=O)N2 286385186 YMXPWUZWCXKSMC-UHFFFAOYSA-N 343.471 2.909 0 50 EFAA CC(C)[C@H]1OCC[C@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 487699658 WPNQPLSMXDDLEU-JOYOIKCWSA-N 329.326 2.616 0 50 EFAA CC(C)CCn1c(CN2CCC[C@](O)(CO)CC2)nc2ccccc21 72168125 XOFGZMJTTYIZGN-HXUWFJFHSA-N 345.487 2.792 0 50 EFAA CC1(C)C[C@@]1(C(=O)NCC(=O)Nc1nccs1)c1ccccc1F 215674084 NUAWRVLXVUCMRF-KRWDZBQOSA-N 347.415 2.705 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)Nc2ccc(C)c(F)c2)n1 72436993 MUJDUAGHBLFLDC-UHFFFAOYSA-N 346.410 2.898 0 50 EFAA C[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F 173511563 QDFHACAAAOJOFI-JSGCOSHPSA-N 349.385 2.707 0 50 EFAA Cc1cnn(CCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 72481579 RVEPVKPVEJYPOQ-HNNXBMFYSA-N 337.427 2.864 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn1 262987593 UWVPPVZFGHCVHA-LBPRGKRZSA-N 342.317 2.975 0 50 EFAA Cc1ccc(CCNS(=O)(=O)C[C@@H]2CCCC3(CCC3)O2)o1 1365031389 JUGNTPOCKVLMAO-HNNXBMFYSA-N 327.446 2.542 0 50 EFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@H](O)[C@@H](O)C1 71764318 DIDOUZARZQULFZ-OALUTQOASA-N 338.407 2.731 0 50 EFAA O=C(NCc1cc(-c2ccccc2F)no1)c1n[nH]c2c1CCC2 216334631 PAADZUPHWNBNRZ-UHFFFAOYSA-N 326.331 2.623 0 50 EFAA COc1cc(OC)c(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1Cl 454238297 MJXGMTGVKICXIY-GXFFZTMASA-N 339.823 2.525 0 50 EFAA Cc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)n[nH]1 241316968 LWNADSIQQWPEAS-KRWDZBQOSA-N 343.818 2.553 0 50 EFAA CN(CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(Cl)cn1 241774143 RNJHHUUEVLYSTG-LSDHHAIUSA-N 333.794 2.983 0 50 EFAA COCc1nc2ncc3c(=O)n(-c4ccc(C(C)C)cc4)ccc3n2n1 71376432 XYFKRVFXMSIYAZ-UHFFFAOYSA-N 349.394 2.698 0 50 EFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCCSCC1 229984740 ZWLQMLMHXSPAAO-YESZJQIVSA-N 325.518 2.795 0 50 EFAA OC1CC(c2cc(NCc3ccc(CN4CCCC4)cc3)ncn2)C1 223668657 ZCKHEZYMANPFDH-UHFFFAOYSA-N 338.455 2.923 0 50 EFAA C[C@@H]1CC[C@H](CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 177540623 FSWQJJCVFRESSK-KGLIPLIRSA-N 336.457 2.991 0 50 EFAA CSc1nc(C(=O)N2CCC(Oc3cccnc3)CC2)cs1 221159276 MOSRVKUZGJIOTK-UHFFFAOYSA-N 335.454 2.944 0 50 EFAA COc1cccc(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2=O)c1 82156908 SWTCPWLQOAVAHL-UHFFFAOYSA-N 342.370 2.632 0 50 EFAA CCc1ocnc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 92028945 AFHUULAJUVOOQK-UHFFFAOYSA-N 333.819 2.848 0 50 EFAA CC(C)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c(=O)[nH]1 97805790 CAXKXEYBESKMJA-OAHLLOKOSA-N 330.432 2.540 0 50 EFAA CC(C)(CO)[C@H](CNC(=O)N1CCO[C@H]2CCC[C@H]21)c1ccccc1 239667128 BOYRUIOUOIJLLZ-KURKYZTESA-N 346.471 2.752 0 50 EFAA C[C@H](NC(=O)CCCN1CCCCC1)c1nncn1C1CCCC1 95388360 KIAUANXDVPBUMV-HNNXBMFYSA-N 333.480 2.837 0 50 EFAA COc1cccc(O[C@H](C)c2nc(-c3ccco3)nn2CC(=O)O)c1 97578527 YKADQYUEJBXNSR-LLVKDONJSA-N 343.339 2.771 0 50 EFAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cc(C(C)C)no2)C1=O 95358880 JKHLJQHGVGRFLI-MRXNPFEDSA-N 344.367 2.655 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCCn1ccc2ccccc21 97324021 CYNZLDJBWGMVOV-KRWDZBQOSA-N 333.391 2.632 0 50 EFAA Cc1nc(N[C@H](C)c2nc(-c3cccnc3)no2)c2cccnc2n1 95385250 LJUNLTJMMWZUCB-SNVBAGLBSA-N 333.355 2.951 0 50 EFAA Cc1cccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)c1C 95370959 IDEWBAMJQFULKW-GOSISDBHSA-N 344.455 2.764 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1cc(C)cnc1-n1cnnc1)C2 95359920 RYYQCQWPMIFIHM-CQSZACIVSA-N 336.395 2.773 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H]1CCCCN1C 95376270 MXIQKYUECZGJBB-CYBMUJFWSA-N 346.397 2.591 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCc2noc(C3CCCC3)n2)C1 95382251 WEFAIHLFMFDMIP-SFHVURJKSA-N 334.464 2.508 0 50 EFAA CN(Cc1cccs1)C(=O)Cn1ccnc1[C@H](O)c1cccs1 239667341 BPPXBWUQSRKNFU-OAHLLOKOSA-N 347.465 2.746 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc12 243956935 CEOPZGKPZIXKGB-KRWDZBQOSA-N 332.359 2.887 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cnn2cccnc12 295775102 LEKWLHTUGCNQKW-JQWIXIFHSA-N 326.322 2.970 0 50 EFAA Cc1ccccc1N1CCCN(CCC(=O)Nc2cccnc2)CC1 244778678 PUQRONNEQXEDEO-UHFFFAOYSA-N 338.455 2.931 0 50 EFAA C[C@@H]1CCC[C@@H](C)C1NCC(=O)Nc1cccc(C(=O)N(C)C)c1 182956467 OXBPLIYSLFQSGY-ZIAGYGMSSA-N 331.460 2.741 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1nc2ccccn2n1 184429742 ZUYIOSLQHBZXBT-ZDUSSCGKSA-N 336.399 2.602 0 50 EFAA CCCN1C[C@@H](NC(=O)N(C/C=C/c2ccccc2)C2CC2)CC1=O 534673827 XOUTZPVZWMEWSJ-NADMHLTPSA-N 341.455 2.885 0 50 EFAA COCC1(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CCCC1 534666991 DZBULLBGHBFVFO-MRXNPFEDSA-N 334.464 2.512 0 50 EFAA O=C(O)[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1O 1940197881 ZEFVVOUNYAAPAS-DZGCQCFKSA-N 335.787 2.867 0 50 EFAA C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 38266994 XWYBFXIUISNTQG-KMNUWYNSSA-N 348.483 2.747 0 50 EFAA biogenic CC(=O)N(C)c1ccc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)cc1 299794516 KZEIBHKWVSIKPN-SFHVURJKSA-N 338.407 2.855 0 50 EFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cnc(C)nc1 299777847 FPFYDIUHTOSNNC-HNNXBMFYSA-N 327.384 2.826 0 50 EFAA COc1ccccc1OC1CCN(C(=O)c2cc(=O)cc(C)o2)CC1 299780803 BISDLHFYHNPMPE-UHFFFAOYSA-N 343.379 2.640 0 50 EFAA CCc1nc(CN(C)C(=O)NCCCc2nc3ccccc3o2)no1 584886263 FDFNJODRWNYHPA-UHFFFAOYSA-N 343.387 2.547 0 50 EFAA Cc1nccn1CC[C@@H](C)N1CCN(c2ncccc2Cl)CC1 670439422 QHNGRTYKDLSEKC-CQSZACIVSA-N 333.867 2.841 0 50 EFAA CN1N=C(C(=O)N2CCCC[C@H]2CCc2cccs2)CCC1=O 952970107 NWTOFCCPEBSWBT-ZDUSSCGKSA-N 333.457 2.670 0 50 EFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N(C)C)c1 1565509984 BZSZYXXDNRVLMD-ROUUACIJSA-N 332.444 2.623 0 50 EFAA O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1ncc(C2CC2)o1 270504214 VDTKLDWTBWCPEW-IBGZPJMESA-N 337.379 2.532 0 50 EFAA COCCn1ccnc1CN1CC[C@H](c2cccc(OC)c2OC)C1 952964921 ARRAGOKSWYDQNT-HNNXBMFYSA-N 345.443 2.536 0 50 EFAA Cc1c(NC(=O)N[C@H]2CCO[C@H]2C2CC2)noc1-c1ccccc1F 390832960 FFACTWPUEJIMGG-HOCLYGCPSA-N 345.374 3.478 0 50 EFAA CC(C)(C)S(=O)(=O)c1ccc(NC(=O)NCCn2cccc2)cc1 170604307 KBRKPPUEQLIFCH-UHFFFAOYSA-N 349.456 2.882 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)C2)c(F)c1 170647495 DUYIEVAQSBYJBK-CQSZACIVSA-N 349.383 2.702 0 50 EFAA COc1ccc(CN(C(=O)c2ccnn2C)C(C)(C)C)c(OC)c1 170600389 GMQFQUHROZZPBP-UHFFFAOYSA-N 331.416 2.878 0 50 EFAA O=C(Nc1cn(Cc2ccccc2)nn1)c1cccc(-n2ccnc2)c1 187022484 IXCVLPKMCILYHI-UHFFFAOYSA-N 344.378 2.764 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 188270759 BRICZWGMDDSUGV-ZFWWWQNUSA-N 333.457 2.745 0 50 EFAA Cc1ccc2ncccc2c1S(=O)(=O)N1CCCC[C@H]1CC(=O)O 646036776 SKSKFSXHLOHPQW-ZDUSSCGKSA-N 348.424 2.561 0 50 EFAA Cc1ncc(Cn2nnc(-c3ccc(Br)cc3)n2)s1 193863663 BMDPAARUQFDTDG-UHFFFAOYSA-N 336.218 2.916 0 50 EFAA CS[C@@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 195573645 JRCJPTARKKYVEU-GZMMTYOYSA-N 344.362 2.781 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1noc2c1CCCC2 657468496 MANQUDOUNOULOZ-SUMWQHHRSA-N 330.432 2.544 0 50 EFAA CSCc1ccc(N2C(=O)N[C@H](Cc3ccncc3)C2=O)cc1 771973642 ISPWSHLUWYSHLM-OAHLLOKOSA-N 327.409 2.612 0 50 EFAA COC[C@H](C)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 989609264 UBZVRGLMFVHDOR-ZDUSSCGKSA-N 340.851 2.531 0 50 EFAA O[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1Cc1cnccn1 1615963355 KIHVAURYEAZTFZ-BBRMVZONSA-N 337.345 2.531 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc2c(c1)ncn2C 1506404742 FTWMAPPKFSDQKU-GOSISDBHSA-N 348.450 2.702 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3cc[nH]c3)CC1)OCC2 1704339819 OJPHFMYWPWKFTJ-UHFFFAOYSA-N 326.396 2.728 0 50 EFAA O=C(c1ccc(CO)o1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 219840815 AYVDFLDVVNFXJP-SJORKVTESA-N 340.423 2.509 0 50 EFAA Cc1cc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)nc2ccc(F)cc12 1772708545 BZJCOZJYSBKPMU-XIKOKIGWSA-N 330.359 2.610 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N1CCCN([C@@H]2CCSC2)CC1 1775979309 ZKZICWAWUDEASQ-QGZVFWFLSA-N 345.512 2.614 0 50 EFAA COc1ccc2nc(CNC(=O)Cc3ccc(O)c(Cl)c3)[nH]c2c1 1772711227 RQLATFFYDHYQKP-UHFFFAOYSA-N 345.786 2.789 0 50 EFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC[C@H](C)O)CC1 11817020 CORGUDWUKDRQDV-HNNXBMFYSA-N 337.435 2.784 0 50 EFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2Cc2ccco2)cc1 12097132 BYUYBQCIMKMATF-INIZCTEOSA-N 328.412 2.959 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 12431459 CFDSKRSSKMBNMT-AWEZNQCLSA-N 348.397 2.818 0 50 EFAA COCCNCC[C@@H]1CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 15006620 GFEQWTXNHRTIDA-HNNXBMFYSA-N 344.377 2.823 0 50 EFAA NC(=O)CCCn1cc(-n2ccnc2-c2cccc3cnccc23)cn1 1857683599 JXSMKVCULJFETG-UHFFFAOYSA-N 346.394 2.550 0 50 EFAA Cc1nc(N2CCC3(CC2)C(=O)Nc2ccccc23)c2[nH]ccc2n1 1857694223 GLFOEHPWRZUSGW-UHFFFAOYSA-N 333.395 2.757 0 50 EFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(Cc3ccc(N(C)C)nc3)C[C@H]21 1857731545 JSSUQCOHFIUMIG-ITQYTPKQSA-N 343.471 2.581 0 50 EFAA CCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n(C)n1 635771848 PLGYTKVIKHARPK-AWEZNQCLSA-N 332.835 2.645 0 50 EFAA CCc1nn(C)cc1CN[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328621239 HPJOVLHEEMARJO-MRXNPFEDSA-N 347.463 2.746 0 50 EFAA CCOc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)c(C)c1 657315302 KMPKDGMHEKDKIU-QGZVFWFLSA-N 326.444 2.942 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1nc(C2CCCC2)no1 246280710 WSZQSVGPQPZEKU-UBHSHLNASA-N 336.436 2.639 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CN)c2cnn(C(C)C)c2n1 156600467 AXUQRLNYLJKRMR-WBMJQRKESA-N 329.448 2.520 0 50 EFAA Cc1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1Cl 262929125 LCAZWZVYIHBHMF-CYBMUJFWSA-N 325.792 2.506 0 50 EFAA Cc1nocc1CN[C@](C)(C(=O)O)c1cccc(Br)c1 901621347 IAMAZVYZDBBIDI-AWEZNQCLSA-N 339.189 2.835 0 50 EFAA O=C(O)CC[C@@H]1C[C@@H](C(=O)N2CCC(c3ccccc3F)CC2)CO1 901776874 XWGRPJLSPAVXMT-HUUCEWRRSA-N 349.402 2.802 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)c2cc(F)c(F)cc2O1 906232589 LIIXCMONTMYYTE-SECBINFHSA-N 348.305 2.559 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCn2c(cnc2C(F)(F)F)C1 834337337 WLXZOTMFQAWYDL-UHFFFAOYSA-N 347.300 2.501 0 50 EFAA Cc1cc(NC(=O)N[C@H]2C[C@H](C(=O)O)C2)nn1-c1cccc(Cl)c1 871655754 UUGHUQAIUKMVAC-UMSPYCQHSA-N 348.790 2.819 0 50 EFAA Cc1c(Cl)cc(S(=O)(=O)N2CC3CC2(C)C3)cc1C(=O)O 871990847 ITEIIUPCWBPEDV-UHFFFAOYSA-N 329.805 2.520 0 50 EFAA Cc1noc(C)c1Cc1noc(C2CCN(CC(F)F)CC2)n1 952845788 SLLLVVZFMGIEOI-UHFFFAOYSA-N 326.347 2.710 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2c2cccc(O)c2)n2ncnc2n1 1875297127 CYQKPKFIIZRPTN-HNNXBMFYSA-N 337.383 2.506 0 50 EFAA Cc1nnsc1[C@@H](C)Nc1cnn(Cc2cn3ccccc3n2)c1 1875285766 YNMGGYSVGODRPP-LLVKDONJSA-N 339.428 2.912 0 50 EFAA O=C(CCSc1ncnc2[nH]cnc12)N1C[C@@H]2CCC[C@@H]2C12CC2 1875302625 ZIZBMNHEGSVWPH-RYUDHWBXSA-N 343.456 2.626 0 50 EFAA C=CC(=O)N(Cc1cc(F)c(F)c(F)c1)C[C@@H]1C[C@@H]2OCC[C@@H]2O1 1875388604 IDEQJDFZNGWNNX-CQDKDKBSSA-N 341.329 2.565 0 50 EFAA C[C@@H](CCN1CCc2[nH]cc(C(=O)O)c(=O)c2C1)c1ccccc1 1875339527 NOWISRLJLWOGCK-ZDUSSCGKSA-N 326.396 2.625 0 50 EFAA CC[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1cccc2cc[nH]c12 1875318317 FMBNXYODTIGPNJ-SWLSCSKDSA-N 332.425 2.684 0 50 EFAA Cc1cc(C)c(CCNC(=O)Nc2ccc(C(N)=O)nc2C)c(C)c1 1875311036 LAMWXEUIFYRRJD-UHFFFAOYSA-N 340.427 2.778 0 50 EFAA Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc(C2CC2)n1 886031203 GDLFHYXKGHHWKQ-MAUKXSAKSA-N 340.475 2.891 0 50 EFAA O=C(c1cc(C2CC2)[nH]n1)N1CC(c2nc(-c3ccccc3)no2)C1 886550683 MKFGLARDMHRFFA-UHFFFAOYSA-N 335.367 2.577 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)o1 1176957327 GIYVLIPGLKYEGN-LBPRGKRZSA-N 329.404 2.617 0 50 EFAA C[C@@H](NC(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2)c1ccc(Cl)cc1 891527071 FKMDSWJGMPFHFD-HYSWKAIVSA-N 335.835 2.902 0 50 EFAA CC(C)N(C)Cc1ccccc1CNC(=O)c1cnc2[nH]cncc1-2 1775984932 VRDPPFURZJPFFK-UHFFFAOYSA-N 337.427 2.680 0 50 EFAA O=C(O)c1cc(C2CCN(Cc3nc4c(s3)CCCC4)CC2)[nH]n1 2325787410 ZMTCETUUZUXIOO-UHFFFAOYSA-N 346.456 2.823 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(-c4ccccc4F)on3)C[C@@H]2C1 2325791115 VOQSSDFGTRNTGB-FRRDWIJNSA-N 329.375 2.680 0 50 EFAA CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 178537 LWDBPPYRAAJEKV-UHFFFAOYSA-N 339.819 2.829 0 50 EFAA CCOC(=O)c1c(C(=O)O)[nH]c(C(=O)OCc2ccccc2)c1C 391084 SWXNYMZEQBOXAG-UHFFFAOYSA-N 331.324 2.555 0 50 EFAA CCOc1cc(C(=O)NCCCN(C)C)cc(OCC)c1OCC 4141731 GEGWYHYVJKKBFZ-UHFFFAOYSA-N 338.448 2.564 0 50 EFAA CCOc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O 4910742 UUXYEVWWLJZMHZ-NSHDSACASA-N 327.336 2.994 0 50 EFAA Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1Br 6314771 ZHDZWFYCXYCFNX-UHFFFAOYSA-N 341.230 2.631 0 50 EFAA Cc1csc(=O)n1CCc1nc(-c2ccc3cc[nH]c3c2)no1 225592084 KWPHBTOCXYVEBH-UHFFFAOYSA-N 326.381 2.992 0 50 EFAA COc1ccc(OC)c(NC(=O)NCCOc2ccccc2OC)c1 9874855 NXVWZBXOKNVRJT-UHFFFAOYSA-N 346.383 2.913 0 50 EFAA O=C(NCc1cccc2c1OCCCO2)N[C@H]1COc2ccccc21 134107577 TZSAPEMONVOBIU-HNNXBMFYSA-N 340.379 2.781 0 50 EFAA CCn1ccnc1Cn1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55054464 MDDKNDSTOWFOCU-UHFFFAOYSA-N 339.351 2.604 0 50 EFAA CC[C@H](NC(=O)CCC(=O)NC1CCCCCCC1)c1ccnn1C 55357638 FYEARAUOYRTLDD-INIZCTEOSA-N 348.491 2.997 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(-n2cnnc2)cc1 65526011 PSQXUFZXBBUYSF-UHFFFAOYSA-N 338.415 2.560 0 50 EFAA COCC[C@H](C)N1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccc(F)c(F)c1 248164483 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EFAA CC(C)N(Cc1cn(C)nc1-c1ccccc1F)C[C@H]1CCC(=O)N1 12763156 IYJQKZGBLULAIM-OAHLLOKOSA-N 344.434 2.715 0 50 EFAA Cc1ccc(NC(C)(C)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 71440508 IRTDFEQRVLNMIE-UHFFFAOYSA-N 343.471 2.799 0 50 EFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(CO)o2)C1 77301102 VHXIWUFBKJWGCA-INIZCTEOSA-N 341.407 2.826 0 50 EFAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1 155549739 XBCGPRJWHOGTQW-OAHLLOKOSA-N 339.395 2.816 0 50 EFAA CCOc1ccc([C@@H](O)C2CCN(C(=O)C3=CCOCC3)CC2)cc1 367839712 NDGAWEFGWGVUCC-LJQANCHMSA-N 345.439 2.704 0 50 EFAA CC(C)OCCCNc1nc(-c2ccncc2)nc2c1cnn2C 72140165 OWRYFTUQABJBDV-UHFFFAOYSA-N 326.404 2.652 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1CCN(CC(F)F)C1 416351986 SXXXMFGVBSVEAW-AWEZNQCLSA-N 346.381 2.521 0 50 EFAA O=C(O)[C@@]12CCC[C@H]1CN(Cc1nc(CCc3ccccc3)no1)C2 262183957 QKORLIVJHHBJGY-HNAYVOBHSA-N 341.411 2.542 0 50 EFAA CN(C)c1nccnc1-c1cc(O)cc(CC[C@@H]2CCCCN2)c1 71721558 WPZNNVPZUHTIIU-INIZCTEOSA-N 326.444 2.990 0 50 EFAA O=C(C[C@H]1C=CCC1)NCc1cccc(-n2ccc(C(=O)O)n2)c1 262492643 ZRJXFISFTDZTGI-ZDUSSCGKSA-N 325.368 2.543 0 50 EFAA Cc1nc[nH]c1-c1nccn1[C@H](CCn1cncn1)c1ccccc1 71762784 RYPHGKHJHYGYNM-MRXNPFEDSA-N 333.399 2.853 0 50 EFAA Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 71376372 WLEVBPPDOGGUQU-YCPHGPKFSA-N 333.457 2.659 0 50 EFAA CCc1c(C(=O)N2CCC[C@@H]([C@H](C)N)C2)cnn1Cc1ccccc1 237094740 HPIUPZXDZVSGBB-DOTOQJQBSA-N 340.471 2.693 0 50 EFAA NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(-c2ccn[nH]2)s1 216376784 GYFDTCCXDTUWTJ-MRXNPFEDSA-N 338.436 2.550 0 50 EFAA COc1ccc(Br)c(S(=O)(=O)NCC2(C)CCC2)c1 175693756 URPCPLJMNDFUNN-UHFFFAOYSA-N 348.262 2.926 0 50 EFAA COc1cc(C)c(C(=O)N2CCCC[C@H]2CCC(=O)O)cc1OC 263152241 NVFHBJDPQILDIS-ZDUSSCGKSA-N 335.400 2.872 0 50 EFAA O=C(O)C1CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)CC1 238103843 MTONBLNRZZRXKU-RAXLEYEMSA-N 327.302 2.956 0 50 EFAA O=C(NCCN1CCCC1=O)c1cc(C(F)(F)F)ccc1Cl 220294361 HGJFQNVNRCKRJK-UHFFFAOYSA-N 334.725 2.711 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@@H]1c1nccs1 223171992 WELJVTAJWWHIRJ-CYBMUJFWSA-N 332.429 2.552 0 50 EFAA Cc1noc2nc3c(c(C(=O)N4Cc5ccccc5[C@@H](O)C4)c12)CCC3 82134966 DFQWSIJDAYZVEL-INIZCTEOSA-N 349.390 2.709 0 50 EFAA Cc1c[nH]c(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 220391815 AGQWCMHTRLXXBL-PGEKIEPBSA-N 336.395 2.508 0 50 EFAA CSc1ncc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)cn1 82106500 ZGGBHZPNXFZNMK-AWEZNQCLSA-N 342.468 2.858 0 50 EFAA COc1ncccc1C(=O)N1CCCN(c2ccc(F)cc2)CC1 82106692 HEKURDZFQDWXLH-UHFFFAOYSA-N 329.375 2.582 0 50 EFAA Cc1cnn(CC2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)c1 82166890 CWNYJDXJCQCGPE-UHFFFAOYSA-N 329.448 2.601 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)N2CCc3[nH]cnc3C2)cc1C 96166456 MSZQJRBRBKBQSJ-UHFFFAOYSA-N 341.411 2.665 0 50 EFAA O=C(NCCCN1CCCC[C@H]1CO)Nc1ccc(F)cc1Cl 96160516 HKBIVNKBFZIRGW-ZDUSSCGKSA-N 343.830 2.838 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 92022614 IUSOIBDGMZPACE-ZDUSSCGKSA-N 329.444 2.619 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(C)cc2OC)C1 91364700 QAROBRYBNHNMHF-LJQANCHMSA-N 349.427 2.737 0 50 EFAA Cc1c(C(=O)NCCCN2CCCC[C@H]2CO)[nH]c2c(F)cccc12 97527898 GSRPXAOWMVYMSK-AWEZNQCLSA-N 347.434 2.582 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)[C@H]1Cc2ccccc2CN1C 95522880 GPHUDYQCSUKRTQ-GOSISDBHSA-N 339.439 2.569 0 50 EFAA Cc1ccccc1[C@@H](CN1CC2(CCNCC2)CCC1=O)N(C)C 91645269 PRIKAWFHTZYVHP-GOSISDBHSA-N 329.488 2.590 0 50 EFAA CC(C)(C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1)n1cccc1 91595842 ICKHQHQVAOVWIF-INIZCTEOSA-N 349.438 2.998 0 50 EFAA Cc1ccc(CSc2nc(N)cc(N3CCC[C@H](N)CC3)n2)cc1 95377274 QLKVVXVFVJWKMT-HNNXBMFYSA-N 343.500 2.977 0 50 EFAA O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN2CCC[C@@H]2C1 244719075 LWKKRPYQDANVNY-LLVKDONJSA-N 338.333 2.502 0 50 EFAA CN(CC1CCOCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 244773970 PJODVCYSDCCOHL-HXUWFJFHSA-N 332.488 2.636 0 50 EFAA CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(F)c(Cl)c1 183352766 JASCMBKFPBPPFD-UHFFFAOYSA-N 325.727 2.642 0 50 EFAA C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1 183904165 XSURSTDKAPMQPX-CZUORRHYSA-N 347.390 2.924 0 50 EFAA CCCCNC(=O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263619117 WZEKUSMLEPFRJP-AWEZNQCLSA-N 334.807 2.733 0 50 EFAA Cc1ccc2nc(CNC(=O)c3cc(C(F)F)nn3C)[nH]c2c1C 534632070 QPUXBKKCDLFGSF-UHFFFAOYSA-N 333.342 2.781 0 50 EFAA O=C1c2cc(Cl)ccc2-c2cccc(C(=O)N3CC[C@H](O)C3)c21 32565365 ZMZDHAATUSKCSA-NSHDSACASA-N 327.767 2.758 0 50 EFAA O=C(O)c1cccc([C@H]2CCCN(C(=O)CCn3cccc3)C2)c1 299776737 DLKITKGAWCNGIX-KRWDZBQOSA-N 326.396 2.983 0 50 EFAA CC(=O)c1cc(C(=O)NCc2noc(-c3cccs3)n2)cs1 550211925 QXHLONDJHVMMPW-UHFFFAOYSA-N 333.394 2.992 0 50 EFAA CCc1ccc(NC(=O)N2CCCN(C)C3(CCNCC3)C2)cc1 299777885 FFTDBJAJYBFTQC-UHFFFAOYSA-N 330.476 2.541 0 50 EFAA CCCCn1nccc1NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 299775626 GDJXBXAJKKAYEQ-OAHLLOKOSA-N 347.463 2.550 0 50 EFAA COc1ccc(F)c(F)c1C(=O)Nc1cccc(-n2nnnc2C)c1 824641508 ZKUASFSOOSWCTH-UHFFFAOYSA-N 345.309 2.510 0 50 EFAA O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1CC[C@H]2[C@H](CCCN2C(=O)C=C2CCC2)C1 973716772 NQZGIYWYULLEQQ-GFEQUFNTSA-N 342.483 2.982 0 50 EFAA CC(C)c1cc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)ncn1 1364251810 QIASHBYVLRWGDE-JTQLQIEISA-N 340.353 2.928 0 50 EFAA CCn1cc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cn1 408519811 CYUXHCMFTZYRAB-AWEZNQCLSA-N 341.333 2.775 0 50 EFAA CC(C)N1CCN(CCCN2CCC[C@H](c3ccccn3)C2)CC1 408518917 KCERGKHGGDXWFI-IBGZPJMESA-N 330.520 2.677 0 50 EFAA CC(C)n1nccc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 268783926 QXNPHPXRMMSYFR-UHFFFAOYSA-N 346.456 2.560 0 50 EFAA O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)Nc1cccnc1 164282972 HSJXPLFAFLPIPQ-UHFFFAOYSA-N 332.363 2.645 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)CCc2ccccc2OC)C12CCOCC2 187025088 WVVCXTHZYVENFQ-QZTJIDSGSA-N 347.455 2.718 0 50 EFAA C[C@@H](CC(=O)N1CCCN(c2ccccc2)CC1)[C@@H]1CCCNC1 165796599 JLNIPHIZEMNVFC-ZWKOTPCHSA-N 329.488 2.751 0 50 EFAA CC(C)(C)c1ccc(OCCNc2nn3c(=O)ccnc3s2)cc1 169954812 MWAAAMZVWOMOPD-UHFFFAOYSA-N 344.440 2.939 0 50 EFAA C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1-n1cccn1 170601227 AKZDJRXWSHXYFS-ZDUSSCGKSA-N 328.416 2.752 0 50 EFAA CNC(=O)Cc1cccc(OC(=O)c2c[nH]nc2-c2ccsc2)c1 170602540 WGFDIDKKNQYPRC-UHFFFAOYSA-N 341.392 2.646 0 50 EFAA CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc2c1CCC2 195035970 RMTCRUIPRSKVAX-UHFFFAOYSA-N 330.409 2.799 0 50 EFAA O=C(c1cccc(F)c1F)N1CCCN(C[C@@H]2CCCOC2)CC1 981841350 KXELPDHPMWHOSK-AWEZNQCLSA-N 338.398 2.539 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc(F)cc1 799041328 RNPWSQGRZWCIDC-RNPYQATCSA-N 333.403 2.617 0 50 EFAA COc1cc(C)c(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)cc1C 1615955262 DRXQNHGUZHUCGR-WMZOPIPTSA-N 330.428 2.644 0 50 EFAA Cc1cc(C)n(CC2(CN[C@H]3CCC(=O)N(CC4CC4)CC3)CC2)n1 1506411913 LTXPHIULVGYSTP-SFHVURJKSA-N 344.503 2.661 0 50 EFAA CCN1C[C@H](CN(C)C2CCN(c3ccc(F)cc3C)CC2)CC1=O 1506431404 NPEPVGWCLPFTCW-INIZCTEOSA-N 347.478 2.903 0 50 EFAA COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(N)=O)cc1 307042 HHPDRSODDQTVCI-XNTDXEJSSA-N 330.771 2.605 0 50 EFAA CCOCCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704303652 NCGYXOSDZZGFGN-UHFFFAOYSA-N 342.439 2.985 0 50 EFAA CCc1cc(O)ccc1-c1nc(=N)c2cc(OC)c(OC)cc2[nH]1 1772702489 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CC(C)c1nnc([C@H]2COCCN2C(=O)c2scnc2C2CC2)o1 328612003 NHUZGSWXFGIKFD-LLVKDONJSA-N 348.428 2.741 0 50 EFAA CCCN(C(=O)c1cc2ccccc2c(=O)o1)[C@@H](C)C(=O)OCC 336991841 GSXJHHVUVHDQJP-LBPRGKRZSA-N 331.368 2.597 0 50 EFAA Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCCC[C@H]3C)ccc12 238901111 KYKUPUDMOQVOCQ-CABCVRRESA-N 331.412 2.716 0 50 EFAA CN(C)CCCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 248148829 WQXKZWMBPVSPAE-MJGOQNOKSA-N 347.478 2.590 0 50 EFAA C[C@H]1OCC[C@@H]1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 134396072 LMWBKRNWKYNPEA-SFYZADRCSA-N 334.260 2.690 0 50 EFAA CCC[C@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 154824741 VRXKVXYBLWCPPS-HNNXBMFYSA-N 345.418 2.781 0 50 EFAA CCN(C)c1ccccc1CNC(=O)[C@]1(O)CCc2ccccc2C1 786114528 FNGYPKMZTPXNMC-NRFANRHFSA-N 338.451 2.679 0 50 EFAA COc1cc(C)ccc1CNC(=O)N1CCC(c2nc(C)no2)CC1 155700737 ZLDQXKPWRVUYHQ-UHFFFAOYSA-N 344.415 2.784 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3C[C@H](O)C4(CC4)C3)c2C(C)C)cc1 375285393 CHPRYEDPVXGRFD-KRWDZBQOSA-N 339.439 2.901 0 50 EFAA 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Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)c1 280908 TULFXEIMBAEIIM-UHFFFAOYSA-N 333.409 2.819 0 50 EFAA COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 387174 OGVLVIMYKUCEGD-QGZVFWFLSA-N 347.436 2.820 0 50 EFAA COc1ccc(CC(=O)Nc2ccccc2NC(C)=O)cc1OC 443357 ZOQSIVPQJWOBAY-UHFFFAOYSA-N 328.368 2.843 0 50 EFAA CCCS(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 245741874 VVSBFYHHTDPWLM-DOMZBBRYSA-N 348.871 2.801 0 50 EFAA Cc1ccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4142166 KCAUCQNOPXUCJP-DLBZAZTESA-N 342.420 2.607 0 50 EFAA CCCNc1c(NC(=O)NC[C@H]2CCCO2)c(=O)oc2ccccc12 6746850 CEKANMAJCHHNQR-GFCCVEGCSA-N 345.399 2.915 0 50 EFAA C[C@H](NC(=O)NC1CCNCC1)c1ccccc1Br 416858747 ZDXANJTXGYFEAD-JTQLQIEISA-N 326.238 2.561 0 50 EFAA CN(C)CCN(Cc1ccsc1)Cc1cccn1-c1ncccn1 55074617 QMNXJKVWJZSNMC-UHFFFAOYSA-N 341.484 2.893 0 50 EFAA CC[S@](=O)CCC(=O)Nc1ccc(NC(=O)c2coc(C)c2)cc1 55108943 KLGJFFBKYNEQPB-XMMPIXPASA-N 348.424 2.938 0 50 EFAA COc1ccc(C[C@H](C)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 248032608 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COc1ccccc1-n1cc(C(=O)N2CC(c3cccnc3)C2)cn1 72164949 PLZMDFMQVONWEX-UHFFFAOYSA-N 334.379 2.516 0 50 EFAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccco1 123699591 SPMKUHXFIQYDKG-SECBINFHSA-N 343.788 2.979 0 50 EFAA COc1cnc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)nc1 77536833 IRPRZQAFCPBVDX-IBGZPJMESA-N 344.459 2.637 0 50 EFAA CCCc1nc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC)C3)C2)cs1 72426459 DYZDQZKAYCSHDA-SFHVURJKSA-N 349.500 2.960 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1N(C)C 154427430 IHJMUQHGGACUCG-QGZVFWFLSA-N 345.468 2.982 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1c[nH]c2ccccc12 261845491 IZEMWMSIXUVUEO-JLZZUVOBSA-N 326.396 2.955 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 282490040 VYFCYDBIPBHFFX-WBMJQRKESA-N 335.354 2.690 0 50 EFAA CC(C)(CN=c1nc(C2CCCC2)[nH]s1)C1(O)CCOCC1 333477543 BREIVBKLDWREJH-UHFFFAOYSA-N 325.478 2.597 0 50 EFAA O=C(Cc1cccc(Cl)c1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 159162217 XGMOIBIALQFGSF-HZPDHXFCSA-N 349.814 2.827 0 50 EFAA 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CN(C(=O)NCc1ncnn1C(C)(C)C)[C@H]1CCc2ccccc21 283296604 XBKXZXBZFWSTBP-HNNXBMFYSA-N 327.432 2.862 0 50 EFAA C[C@@H]1CN(c2cncc(-c3ccccc3)n2)C[C@]2(CCCOC2)O1 241287447 LLIQSSLLJRMDJM-BEFAXECRSA-N 325.412 2.918 0 50 EFAA CCCc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2ncn[nH]2)sc1C 284530835 AAZLYESLCQOTTF-OLZOCXBDSA-N 334.445 2.729 0 50 EFAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 40455949 BFBUVCKXNOMPNE-UHFFFAOYSA-N 327.384 2.782 0 50 EFAA COCCC1(CNC(=O)Nc2ccc(-n3nccn3)cc2)CCCC1 178080338 LRLCDIVUUAPYAK-UHFFFAOYSA-N 343.431 2.986 0 50 EFAA CCc1nc(C2(NC(=O)[C@@H](OC)c3ccccc3)CCCC2)no1 177071993 MLUAADADPGJFDI-HNNXBMFYSA-N 329.400 2.905 0 50 EFAA CC(=O)N1CCN(c2cccc(NC(=O)C3(C)CCC3)c2C)C1=O 289769978 WDQODCCBUGLQPQ-UHFFFAOYSA-N 329.400 2.912 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 92062185 ZXQNJUXSUSETME-IAGOWNOFSA-N 348.487 2.878 0 50 EFAA COc1ccccc1OCCNC(=O)[C@@H](c1cccc(F)c1)N(C)C 92061854 QCBLNNWWZDIKPS-GOSISDBHSA-N 346.402 2.632 0 50 EFAA COCCN1CC[C@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 97259319 OLOBXZBOYUVOCL-GOSISDBHSA-N 342.487 2.581 0 50 EFAA COCC[C@@]1(CO)CCCN(Cc2c(Cl)cncc2Cl)C1 91596151 TYNQFJHPKUKASY-HNNXBMFYSA-N 333.259 2.999 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)COCC(F)(F)C(F)F)CC2 95360651 GCPKCJJXJSIJAO-UHFFFAOYSA-N 349.324 2.539 0 50 EFAA CCCN1CCC(CC(=O)N(CC)C[C@H](O)c2cccc(O)c2)CC1 97805639 DICFRMWZFHOFCI-IBGZPJMESA-N 348.487 2.786 0 50 EFAA CSc1nn2c(=O)cc(CN3C[C@H]4CC=C(C)C[C@H]4C3)nc2s1 244893045 YUJMMPLXNIUJLO-NEPJUHHUSA-N 348.497 2.661 0 50 EFAA C[C@H](C(=O)Nc1ccccn1)N(C)Cc1c[nH]nc1-c1ccccc1 244795596 RJLKSZRZDAPJIY-CQSZACIVSA-N 335.411 2.931 0 50 EFAA COc1cccc(OC2CN(C[C@H]3COc4ccccc4O3)C2)c1 244787555 PZIAYWSFMSHPMG-KRWDZBQOSA-N 327.380 2.598 0 50 EFAA O=C(NCC[C@H]1CCCCO1)c1cccc(Nc2cnccn2)c1 1362266979 FDWDJYWTVDEGFA-MRXNPFEDSA-N 326.400 2.909 0 50 EFAA COc1ccccc1C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 271026972 VZEPXDIVRLZJCN-UHFFFAOYSA-N 330.428 2.702 0 50 EFAA CCOc1cc(N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)ncn1 275534813 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2.514 0 50 EFAA Cc1cc2cccc(C(=O)N3CCCN(Cc4cc[nH]n4)CC3)c2o1 1775982584 ABXWDEKIMRHTOJ-UHFFFAOYSA-N 338.411 2.812 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCSCc1ccccc1 1772710181 OHAZXBZYCRMKSH-HOCLYGCPSA-N 332.469 2.532 0 50 EFAA CC(C)c1nccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)n1 1772811181 QWGMWCLVWDLIQZ-UHFFFAOYSA-N 333.395 2.739 0 50 EFAA c1cnc(N2CCC([C@@H]3CCN(Cc4nccs4)C3)CC2)nc1 11817298 BMGNTJFNNTVQAL-OAHLLOKOSA-N 329.473 2.672 0 50 EFAA C[C@H](CNC(=O)c1cn(Cc2ccccc2F)nn1)c1ccccc1 12111895 SGXHBHZXSHTJBV-CQSZACIVSA-N 338.386 2.999 0 50 EFAA CCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 12274296 MJWYWLKVUKIXCW-UHFFFAOYSA-N 337.221 2.868 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccc(F)cc3OC)C2)C1 12719097 RIBTWEOLOHYTGT-IBGZPJMESA-N 336.451 2.769 0 50 EFAA CN1C(N)=NC(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 19770323 URYWYTOKCYEAPM-WQLSENKSSA-N 346.184 2.837 0 50 EFAA O=C(Nc1ccc2ccccc2c1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668983 YQCCSQMJYVLGNE-HNAYVOBHSA-N 340.379 2.795 0 50 EFAA O=C1Nc2ccccc2NC12CCN(Cc1cccc3ccnn13)CC2 1857672679 WVAGRQPJDGFQJO-UHFFFAOYSA-N 347.422 2.733 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCO[C@H](C(F)(F)F)C1 1857732528 VAQKJQUNXPINRV-LBPRGKRZSA-N 339.317 2.788 0 50 EFAA Cc1noc(C)c1CN1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875243426 GVSNXJBZAIZJMU-IEBWSBKVSA-N 327.428 2.549 0 50 EFAA CC1(C)CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCN1 423708647 MYRPLWWYPSRHIP-UHFFFAOYSA-N 336.863 2.599 0 50 EFAA COc1ccc(S(=O)(=O)N(C)C2CCC(OC)CC2)cc1Cl 330793415 CHWMPJNPJCJKSF-UHFFFAOYSA-N 347.864 2.927 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@@H]1N 237247348 WQNZPAPYMNZGLX-AAEUAGOBSA-N 329.213 2.674 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N[C@H](Cc1ccccc1)C(=O)O 237960828 LPACVXLTXVDDQQ-OAHLLOKOSA-N 335.762 2.834 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 238072052 GVTUGCIBAUTPDG-JHJVBQTASA-N 327.302 2.885 0 50 EFAA O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)[C@H]1CC=CCC1 11909267 RTMPHTGKRMGRPH-YOEHRIQHSA-N 335.407 2.920 0 50 EFAA O=C(NCCOc1cncc(Cl)c1)NCCc1ccc(F)cc1 664282414 CQDCDFITHWSZET-UHFFFAOYSA-N 337.782 2.795 0 50 EFAA CCc1nc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n[nH]1 248590779 RERJOAZWWMCOCU-OLZOCXBDSA-N 340.349 2.694 0 50 EFAA O=C(CCCOc1cccc2ccccc12)N1C[C@H](F)C[C@H]1CO 347401428 UQUUIUDXUOLGDC-CVEARBPZSA-N 331.387 2.930 0 50 EFAA CCc1c(C)nc(C)nc1N1C[C@H](c2ccc(C)o2)[C@@H](NC(C)=O)C1 252078532 DVVCYUYNWWWAAX-IRXDYDNUSA-N 342.443 2.666 0 50 EFAA O=C(c1ncccc1Oc1ccccc1)N1CC[C@H](n2cncn2)C1 368521350 DYESISZWWGHRKL-AWEZNQCLSA-N 335.367 2.553 0 50 EFAA Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cnnn1C 158859756 FZZCAZPCSAULGR-UHFFFAOYSA-N 337.431 2.721 0 50 EFAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@@H](c2ncc[nH]2)C1 377938081 IXOUGVUWSGBGAW-LLVKDONJSA-N 329.791 2.731 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(CC(=O)O)c(F)c1 263281388 XJVPIJHFFQYMJF-JTQLQIEISA-N 347.390 2.620 0 50 EFAA Cc1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn2ccnc12 931554565 QYACGAAVXDDBGZ-UHFFFAOYSA-N 338.415 2.788 0 50 EFAA O=S1(=O)CC[C@](O)(CN[C@H](C2=CCCCC2)C2CCCCC2)C1 952995088 CQFDVCUMYLSGRC-MSOLQXFVSA-N 341.517 2.575 0 50 EFAA O=S(=O)(Nc1cnc(CC2CC2)nc1)c1c[nH]c(C(F)(F)F)c1 1875260361 TZFGBAAVDQPXID-UHFFFAOYSA-N 346.334 2.577 0 50 EFAA C[C@H](NCCn1cc(Br)cn1)c1ccc(F)c(O)c1 1875285631 UISCQSHEGBKKCA-VIFPVBQESA-N 328.185 2.841 0 50 EFAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2CCCCC[C@@H]2C1 1875296779 OLKVYUJZXZPKPN-RCCFBDPRSA-N 343.471 2.695 0 50 EFAA Cn1nc(C2CCC2)cc1NC(=O)N1CCC[C@@H](CCC(=O)O)C1 1875279210 DBICNBKIBXYCNA-LBPRGKRZSA-N 334.420 2.796 0 50 EFAA C=CC(=O)N(Cc1ccccc1N(C)C)C[C@H](C)Cn1ccnc1 1875374131 BMUVQIYVFMBJGJ-MRXNPFEDSA-N 326.444 2.800 0 50 EFAA C[C@@H](CCCO)NC(=O)c1c(F)cc(Br)c(F)c1F 1775989252 IJHIGGQFHTZLKK-LURJTMIESA-N 340.139 2.757 0 50 EFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 111343 ZIFIHGJSPPFWCY-AWEZNQCLSA-N 337.206 2.820 0 50 EFAA CCc1ccnc(NC(=O)c2ccc(OC)c(N3CCOCC3)c2)c1 2100483168 WJFMLCQVHKAXTE-UHFFFAOYSA-N 341.411 2.742 0 50 EFAA Cc1nn(Cc2conc2C2CCC2)c(C)c1[C@H]1COCCN1C 2325772459 YOOILLVORZOFJM-MRXNPFEDSA-N 330.432 2.807 0 50 EFAA CCOc1ccc([C@@H](NC(=O)c2sccc2COC)C(=O)O)cc1 2325775304 UMNGRTIYXBHCSL-CQSZACIVSA-N 349.408 2.849 0 50 EFAA NCc1cc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)no1 2325777178 JRRPUGJNUCWOCF-UHFFFAOYSA-N 341.242 2.762 0 50 EFAA C[C@H]1c2nccn2CCN1C(=O)NCc1cnc2c(F)cccc2c1 2325784582 WMRFHMLEEMSQFB-LBPRGKRZSA-N 339.374 2.857 0 50 EFAA CN(Cc1ccc(C(N)=O)cc1)C(=O)c1coc2c(F)cccc12 2325825093 DELPCKJOZVVHOA-UHFFFAOYSA-N 326.327 2.943 0 50 EFAA C[C@@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)c1ccc(N(C)C)nn1 2325873760 SGPUKEBYKMVESP-QLJPJBMISA-N 330.819 2.859 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)cc(C)c2)C1 178154 XVILRDKHULNENT-MRXNPFEDSA-N 332.444 2.907 0 50 EFAA O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1 309847 DTYVLRZWGHGRPI-GOSISDBHSA-N 348.402 2.516 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 361373 WGMVFAFTLLGINY-UHFFFAOYSA-N 344.392 2.609 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=S)N1 1299584 JXHMDIDAVWEGIE-MRXNPFEDSA-N 339.420 2.824 0 50 EFAA CC(C)(CNC(=O)Cc1ccccc1)CNC(=O)Cc1ccccc1 1760274 HILFOJIPOSUBSC-UHFFFAOYSA-N 338.451 2.730 0 50 EFAA COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 2181353 SAANAEFSIKEDHL-UHFFFAOYSA-N 347.367 2.982 0 50 EFAA CC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 4745400 CCWHFSXFOUWOGR-UHFFFAOYSA-N 340.464 2.711 0 50 EFAA CCc1noc(C)c1-c1[nH]c2ccccc2c1C(=O)C(=O)N(C)C 4826905 HWOJANZNYFUBDA-UHFFFAOYSA-N 325.368 2.965 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nccc(C)n2)c1 10230950 MRZGATLIRMGWBG-NSHDSACASA-N 330.413 2.863 0 50 EFAA c1cncc(CN(CCCn2ccnc2)Cc2ccc3nonc3c2)c1 55386208 DAOPCCJGULSXCD-UHFFFAOYSA-N 348.410 2.907 0 50 EFAA CCC[C@@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1N(C)C2=O 55211978 KTBOWTMJGXLUBT-CQSZACIVSA-N 329.444 2.872 0 50 EFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4ccc(O)cc4)cc3)C[C@H]12 102284837 XLEADGCMYRAIRH-OWZKRDHZSA-N 336.435 2.939 0 50 EFAA Cn1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2ccsc2)cn1 248142381 QTUUQVZLUWELEV-IRXDYDNUSA-N 344.484 2.982 0 50 EFAA O=C(C[C@@H]1COCCN1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 248686462 HHEUZBQIMJIRKB-UYAOXDASSA-N 343.398 2.833 0 50 EFAA COc1ccc(CN2C(=O)O[C@@H]3CN(CC=C(C)C)C[C@@H]32)cc1OC 67885264 IKBIPFNXYLWFPB-MAUKXSAKSA-N 346.427 2.675 0 50 EFAA COc1nccnc1-c1cccc(-c2ccn(Cc3cncn3C)n2)c1 20637151 YBJIOGYLBFMHGW-UHFFFAOYSA-N 346.394 2.798 0 50 EFAA Cc1ccc(-n2cccn2)c(CN2CC[C@H](CNC(=O)C3CC3)C2)c1 67920304 OVSWFPHBZQAXNL-MRXNPFEDSA-N 338.455 2.529 0 50 EFAA COc1cccc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)c1 20630160 DUXZVFSVRFSROM-UHFFFAOYSA-N 338.407 2.943 0 50 EFAA Cc1cnc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)o1 331721711 KUESMFZPEZTQKZ-LSDHHAIUSA-N 341.411 2.830 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]1CC1CCCCC1)[C@@H]1CN(C)CCO1 230229548 ADLQUZPMHTXOAQ-SZMVWBNQSA-N 337.508 2.850 0 50 EFAA CC(C)N1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 67697267 GJWBMCIGBRKOBT-HNNXBMFYSA-N 326.444 2.927 0 50 EFAA CC[C@@]1(CO)CCCN(Cc2cc3ccc(OC)cc3[nH]c2=O)C1 67910183 JWWUULVIEJPPHX-LJQANCHMSA-N 330.428 2.521 0 50 EFAA CCc1noc(C)c1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 122291342 NQPNBUVAMKXMMN-IBGZPJMESA-N 339.395 2.525 0 50 EFAA Cc1ccccc1C[C@@H](CO)NC(=O)Cc1c[nH]c2ccc(F)cc12 252491275 LKNGUDDSCYEZKE-KRWDZBQOSA-N 340.398 2.878 0 50 EFAA Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 357355715 RZLNUANMODFLPJ-OXJNMPFZSA-N 339.439 2.935 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)CCCOCc3ccccc3)C2)n1 219271872 BALOJUKDJAUMSR-QGZVFWFLSA-N 342.443 2.816 0 50 EFAA CCn1cnnc1[C@H]1CN(Cc2cccn2CCC(C)C)CCO1 328647661 UDNOELPJPUPFTF-QGZVFWFLSA-N 331.464 2.719 0 50 EFAA CN1CCCN(C(=O)c2ccnn2CC(F)F)c2cc(F)ccc21 253430187 IGGLFNJBTBLGPR-UHFFFAOYSA-N 338.333 2.774 0 50 EFAA c1ccc(CCCN2CCCN(Cc3cnn4cccnc34)CC2)cc1 215520761 UNGXDHGHBYRUHL-UHFFFAOYSA-N 349.482 2.870 0 50 EFAA COC[C@@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)C1CC1 152296694 JFZWCOJAMSZUHF-MRXNPFEDSA-N 342.443 2.854 0 50 EFAA C[C@H]1C[C@H](CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 152853757 HRWZKHYSIYEFPD-GOEBONIOSA-N 340.423 2.738 0 50 EFAA CN(C)Cc1nnc([C@H]2CCCN(Cc3ccccc3Cl)C2)n1C 72476803 DEOCCPJITDPDGU-HNNXBMFYSA-N 347.894 2.910 0 50 EFAA Cc1ccc2cc(C(=O)NCc3ccnc(-n4ccnc4)c3)[nH]c2c1 363381466 FFJPLEPCKPSJBY-UHFFFAOYSA-N 331.379 2.987 0 50 EFAA c1ccc(CCCc2noc(-c3ccc(N4CCNCC4)nc3)n2)cc1 72162334 DCBXEMHJSLXRIW-UHFFFAOYSA-N 349.438 2.717 0 50 EFAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@H](c2nnc3ccccn23)C1 367121084 LNDPTORWCOUYSV-AWEZNQCLSA-N 335.411 2.955 0 50 EFAA CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc3nccn3c2)cc1 261610554 BWLUYYOEEHZDFO-SFHVURJKSA-N 334.423 2.683 0 50 EFAA O=C(CSCCN1CCCC1)N1CCCC[C@H]1c1ccccn1 219964532 DTCQIHVDCKNGKV-KRWDZBQOSA-N 333.501 2.964 0 50 EFAA CCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nccc2n1 72454667 MVGTXTWLAAPKGY-UHFFFAOYSA-N 325.391 2.757 0 50 EFAA CCc1cc(NCc2nc(-c3ccncc3)n[nH]2)n2nc(C)c(C)c2n1 72426973 GGJUJPHQJKCFNG-UHFFFAOYSA-N 348.414 2.701 0 50 EFAA O=C(NCc1ccc(OC2CCCC2)nc1)N[C@H]1CCO[C@@H]1C1CC1 378293132 MWRCCKAIHOQVQK-FUHWJXTLSA-N 345.443 2.770 0 50 EFAA COc1cc(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)ncn1 71404106 QXSDINWUXWXPIM-CYBMUJFWSA-N 327.384 2.593 0 50 EFAA C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc([S@](C)=O)cc1 241644633 PSIAQSRTBMHKDK-HMFCALDFSA-N 331.437 2.915 0 50 EFAA CC(C)C[C@@H](NC(=O)c1ccoc1C1CC1)C(=O)Nc1cc[nH]n1 242191293 XELKJQPWIIOAPT-CYBMUJFWSA-N 330.388 2.663 0 50 EFAA Cc1ccc2[nH]c(CCNC(=O)[C@@H](O)c3ccc(F)cc3)nc2c1C 220663632 NLUJORNZMVKEPD-SFHVURJKSA-N 341.386 2.711 0 50 EFAA Cc1cc2cc(C(=O)N3CCn4nc([C@@H](C)O)cc4C3)ccc2o1 223212308 HHDQBXKTBSWNAS-GFCCVEGCSA-N 325.368 2.647 0 50 EFAA Cc1cccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@@H]2C)n1 82116145 KSWDRHIINXSULI-ZDUSSCGKSA-N 343.814 2.921 0 50 EFAA CNC(=O)c1ccc(NC(=O)NCCSC(F)(F)F)c(C)c1 47541455 KALJIJNDDQMTGH-UHFFFAOYSA-N 335.351 2.729 0 50 EFAA Cc1ccc(C(=O)N2CCC(NC(=O)CC[C@H]3CCOC3)CC2)cc1 175961612 ZGOOPNIVDZBIOJ-INIZCTEOSA-N 344.455 2.533 0 50 EFAA CCCn1ncnc1[C@H](C)NC(=O)c1cc(-c2cccs2)nn1C 222760332 KUVGZTKPBLMIBP-NSHDSACASA-N 344.444 2.641 0 50 EFAA COC(=O)c1ccc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nn1 265539202 DDNHRPYQCSEICX-CYBMUJFWSA-N 343.358 2.502 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@H](N)C3)c2)n1 82166634 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Cc1ccc([C@H](C)CNC(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1 267592279 JRPYSXVEVRFKJG-QAPCUYQASA-N 342.443 2.615 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)CCc1n[nH]c2c1CCCC2 97766527 RXUBVBGYIQRHIK-LJQANCHMSA-N 341.455 2.803 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCCCOC1CCCCC1 97815131 WMVKWAOGMUVQBX-QGZVFWFLSA-N 330.428 2.717 0 50 EFAA CN(C)c1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)cc1 244816882 SQFYYRYIUKEMQJ-UHFFFAOYSA-N 344.362 2.595 0 50 EFAA Cc1ccccc1-c1noc(CNC(=O)[C@@H]2CCOC(C)(C)C2)n1 244734384 NEKCXRJZEYLRAN-CYBMUJFWSA-N 329.400 2.866 0 50 EFAA C[C@@H](c1nc2ccccc2o1)N1CCC(c2ccnn2CCO)CC1 181049301 JUPHEDNYUBRTDK-AWEZNQCLSA-N 340.427 2.957 0 50 EFAA COCC(=O)c1cnc(Nc2ncc(-c3ccccc3)s2)nc1O 253537454 AEFICKYNBWPRSD-UHFFFAOYSA-N 342.380 2.878 0 50 EFAA COc1ccccc1[C@@H](C)CC(=O)N(CCC(=O)O)C1CCOCC1 299753562 YPYFAWZAZIZTHH-AWEZNQCLSA-N 349.427 2.671 0 50 EFAA COC(=O)c1cc(Br)c(Br)cc1C(=O)O 261508549 UNFQAXRTTPARHF-UHFFFAOYSA-N 337.951 2.696 0 50 EFAA CCc1nnc(CNC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)o1 534632946 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COWCEXKOWLUJBP-XACMVJRISA-N 347.436 2.603 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1cccnc1OCC(F)(F)F 277248512 POVJAPQKBWSPGI-QWHCGFSZSA-N 346.349 2.844 0 50 EFAA Cn1cc(N2CC[C@H](N[C@@H]3CCC[C@@H]3Cc3ccccc3)C2=O)cn1 170607272 BAGVVZVDPVBCFU-QRQLOZEOSA-N 338.455 2.526 0 50 EFAA O=C(N[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCCN1Cc1ccc(F)cc1 634504305 JVMBSTFXIBNREM-MGPQQGTHSA-N 330.325 2.857 0 50 EFAA COc1cnccc1[C@H](C)NC1CCN(Cc2cccnc2)CC1 188778727 HRNRUQDTGRXEEU-HNNXBMFYSA-N 326.444 2.800 0 50 EFAA Cc1ccc(OCCCN2CCC[C@@H](N(C)CC(=O)O)CC2)cc1C 192016188 ISAMNGKVIKYQSM-GOSISDBHSA-N 348.487 2.943 0 50 EFAA Cn1ccnc1CN1CCCN(CCc2ccc(Cl)cc2)CC1 649292209 SUDPBDRWJJYIIG-UHFFFAOYSA-N 332.879 2.824 0 50 EFAA CN(C)c1cccc(CNC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1 195545618 WYGOMUVKEWYTML-ZHALLVOQSA-N 336.439 2.533 0 50 EFAA CCc1nc(CCNC(=O)c2ccc(C(F)(F)F)c(O)n2)cs1 667920826 NZOZKNAEHJXYQA-UHFFFAOYSA-N 345.346 2.797 0 50 EFAA O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)c1ccn(C2CCCC2)n1 776615779 ARCRZFUIJHYUPQ-OAHLLOKOSA-N 349.337 2.832 0 50 EFAA Cn1nc2c(c1NC(=O)c1cnn(Cc3ccccc3)c1)CSC2 1506421654 KQVITWPWKUKZBW-UHFFFAOYSA-N 339.424 2.664 0 50 EFAA CN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529192636 ZGHWVSTTYLEZMN-KPWCQOOUSA-N 325.355 2.910 0 50 EFAA CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H](c2ccccc2)O1 1529104423 PDEMBCPFKGSEAN-MSOLQXFVSA-N 346.452 2.868 0 50 EFAA O=C1NC(=O)/C(=C\c2cccc(I)c2)S1 3027630 RUENVEBOCXMDHS-VMPITWQZSA-N 331.134 2.615 0 50 EFAA CC1=CC[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@H]2C1 216543398 UBRIPVIFQDZBEF-DLBZAZTESA-N 326.440 2.952 0 50 EFAA Cc1ncsc1CCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12718161 FTRMEKSSFXHGFC-AWEZNQCLSA-N 349.500 2.824 0 50 EFAA COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c1 13125256 BQKXUXIWOXPRBE-OAHLLOKOSA-N 328.372 2.527 0 50 EFAA Cc1ocnc1C(=O)NCc1cccnc1-n1cnc2ccccc21 14980711 QLPHFGAHMHXIRY-UHFFFAOYSA-N 333.351 2.647 0 50 EFAA COCc1noc(-c2ccc(NCc3ccc4c(c3)OCO4)nc2)n1 15078928 JEAKVCRTQUXTSG-UHFFFAOYSA-N 340.339 2.619 0 50 EFAA COC(=O)[C@@]1(c2ccccc2)CCN(c2ncnc3ccc(C)nc23)C1 1857695364 GPPSZCBBCDPQJH-FQEVSTJZSA-N 348.406 2.654 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2ccc3ncnn3c2)C[C@H](C(C)C)O1 1857723199 YDDQPEFNALBIEN-HZPDHXFCSA-N 330.432 2.785 0 50 EFAA Cc1nc2c(NC(=O)CCC(=O)c3ccc(F)cc3)cccn2n1 1875249895 IQXZIEZWWIUGFH-UHFFFAOYSA-N 326.331 2.778 0 50 EFAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c2ncccc12 331967973 KOVSVVWDKWZOJR-CQSZACIVSA-N 331.803 2.581 0 50 EFAA Cc1ccc(-c2nnn(CC(=O)N[C@H]3C[C@@H]3c3ccccc3C)n2)cc1 126666611 WZOSXHVMOKYUPJ-MSOLQXFVSA-N 347.422 2.629 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCc1nc(C2CCCC2)no1 237924927 NQHCSUWSLXHUEN-AWEZNQCLSA-N 349.431 2.906 0 50 EFAA O=C(c1cncc(O)c1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 655126474 OWZCQGZNNRGTDB-ZDUSSCGKSA-N 344.333 2.608 0 50 EFAA CNC[C@@H]1C[C@H](F)CN1C(=O)N[C@H](c1ccc(C)o1)C(F)(F)F 655933935 MJMMETRQRFEQSH-JBLDHEPKSA-N 337.317 2.533 0 50 EFAA CN(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 156615753 RZQKTVJTEUJWRC-QGZVFWFLSA-N 343.471 2.664 0 50 EFAA CCN1CCN(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 263683957 OHNRFAIQRXOQRB-GOSISDBHSA-N 333.451 2.517 0 50 EFAA CN(C)C(=O)C1CCN(C[C@H](O)c2cccc3ccccc23)CC1 815008426 WRAKSXRNSMELCG-IBGZPJMESA-N 326.440 2.673 0 50 EFAA CCO/C=C/[C@@](O)(CNC(=O)N[C@H](C)c1ccccc1)C(F)(F)F 917265838 NMGLAZOXBCJDGE-VRHDASFESA-N 346.349 2.890 0 50 EFAA CC[C@H]1CCc2ccccc2N1C(=O)c1nc(OC)cc(OC)n1 903734030 SOQHWRVPDGTETG-ZDUSSCGKSA-N 327.384 2.865 0 50 EFAA CO[C@@H](CNC(=O)c1cccn1Cc1ccncc1)C1CC(F)(F)C1 1875297627 ZAZNBPZJKQRXPB-INIZCTEOSA-N 349.381 2.722 0 50 EFAA Cc1nnc([C@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4CC[C@@]3(c3ccncc3)C4)C2)o1 1875297183 FSNMDQNWMOWYRC-TVWYGFFRSA-N 338.411 2.503 0 50 EFAA C[C@H](Nc1ccc2c(c1)nnn2C)c1cc(C2CCOCC2)nn1C 1875284702 HSILOQIXJGXMBN-LBPRGKRZSA-N 340.431 2.769 0 50 EFAA CC(=O)N1CC[C@@]2(CCCC[C@H]2NC(=O)c2cccc3c2OCC3)C1 1875336382 YMMABFPNMNHONO-XLIONFOSSA-N 342.439 2.533 0 50 EFAA C[C@H](NC(=O)NC[C@@H]1C(=O)NCC[C@H]1C)c1ccc(F)c(Cl)c1 1875300826 RQVAAVLHAARBJR-SCVCMEIPSA-N 341.814 2.612 0 50 EFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccccc1C1CCC1 1875401356 VNHDHKPWYYTEQT-NIKGAXFTSA-N 339.439 2.720 0 50 EFAA Cn1nnc2c(N(Cc3nc4ccccc4s3)C3CC3)ncnc21 895814012 JLYSOSXJELRJTD-UHFFFAOYSA-N 337.412 2.537 0 50 EFAA CC[C@H]1CC[C@H](C)N1C(=O)c1ccc2nc(Br)nn2c1 1775999061 NGUQLCRXPKFDFK-ONGXEEELSA-N 337.221 2.895 0 50 EFAA N[C@@H]1C[C@H](c2nc(-c3cnc(Oc4ccccc4)cn3)no2)[C@H]2C[C@H]21 1775962469 MRLWSYULNLWNKS-RFQIPJPRSA-N 335.367 2.770 0 50 EFAA CCCC1(CN[C@H](C)C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 328595540 XXOLAUJXZFZYCE-CQSZACIVSA-N 342.480 2.955 0 50 EFAA O=C([C@@H](O)c1ccccc1Cl)N1CC2(COc3ccccc3C2)C1 2100539607 PYVNYZWEOHEFJK-KRWDZBQOSA-N 343.810 2.837 0 50 EFAA C[C@@H](c1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1)N1CCCCC1 2100540770 PBBUXLPNOBPDCF-HNNXBMFYSA-N 341.459 2.855 0 50 EFAA Cc1nc([C@@H](C)NC(=O)Nc2nncc(-c3ccccc3)n2)[nH]c1C 2325731319 DVVODULTUSFOCV-GFCCVEGCSA-N 337.387 2.761 0 50 EFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1cccc(-c2nc3ccccc3o2)c1 2325794787 RHSZJRVCGHNDOH-GDBMZVCRSA-N 347.374 2.598 0 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67491052 VLASARCPVPXRNS-MRXNPFEDSA-N 328.460 2.771 0 50 EFAA COc1ccc([C@@H](NC(=O)N[C@H]2CC[C@H](O)CC2)C(F)(F)F)cc1 249403760 CRSDALOYHVQBLT-YRGRVCCFSA-N 346.349 2.901 0 50 EFAA CC(C)Cc1nc(C[C@@H]2NC(=O)c3ccccc32)n(-c2ccccn2)n1 65393418 ZBAGDSBPRCHQPD-INIZCTEOSA-N 347.422 2.888 0 50 EFAA O=C(NCc1ccc(O)c(Br)c1)[C@@H]1COc2ccccc21 151544483 NNOXGANVLNIKQA-GFCCVEGCSA-N 348.196 2.947 0 50 EFAA CC(=O)NCc1ccc(C(=O)Nc2cc(C(=O)O)c(C)cc2C)cc1 471979769 OXEFMZDPBLAKRE-UHFFFAOYSA-N 340.379 2.890 0 50 EFAA Cc1ncsc1CCC(=O)N1CCCN(c2ccncc2)CC1 65531047 SLSABSDRUZJUIL-UHFFFAOYSA-N 330.457 2.518 0 50 EFAA C[C@@H](C(=O)NCc1nc(-c2ccncc2)cs1)C1CCOCC1 128284001 IHQORCKMHOASTA-GFCCVEGCSA-N 331.441 2.884 0 50 EFAA COc1cccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 328622072 BAAJKXHKVVXEIN-ROUUACIJSA-N 344.434 2.530 0 50 EFAA CCCc1nc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)no1 328653602 WYPOANUZLBGKCS-YJBOKZPZSA-N 329.448 2.542 0 50 EFAA Cc1c(CNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cnn1C 2804186 FTFSZNLTSUVMOQ-CYBMUJFWSA-N 330.432 2.798 0 50 EFAA COCCC[C@H]1CCCCN1C(=O)c1cccc(N2CCNC2=O)c1 77470549 AXZXYFMEJJZXRV-MRXNPFEDSA-N 345.443 2.638 0 50 EFAA Cc1ccoc1C(=O)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1 72447242 GGNGWEYWDRJNOU-UHFFFAOYSA-N 347.342 2.866 0 50 EFAA Cc1ccc(CNC(=O)N2CCCCO2)c(OC[C@@H]2CCCO2)c1 253392671 CQNJAOLHHRZSDJ-INIZCTEOSA-N 334.416 2.790 0 50 EFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237307037 QHPWJOMISUGGMS-RRQGHBQHSA-N 331.412 2.902 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)C1 128564272 IZRBUEIYMUKEAO-VUUYWXRKSA-N 347.798 2.995 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1 237497341 WIBXZSIQADQUNC-PBHICJAKSA-N 325.412 2.612 0 50 EFAA CCc1cc(=NC(=O)N2CCC[C@@H]2C(C)(C)O)c2ccccc2[nH]1 333945843 UBIVLHZEPXDCCV-QGZVFWFLSA-N 327.428 2.986 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC(Cc2ccc(F)cc2)CC1 77519666 JAJAZIRCBCFRPS-UHFFFAOYSA-N 332.375 2.933 0 50 EFAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)N3CCCC3)CC2)c1 72419749 LWSWSSNCTDNBFZ-UHFFFAOYSA-N 332.400 2.509 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 156355312 QNSQLQNSCOSBNH-CZUORRHYSA-N 334.435 2.952 0 50 EFAA CC(C)N(CCC(=O)O)C(=O)c1ccc(OCc2ccccc2)nc1 262740981 GQPDQHQDODJECO-UHFFFAOYSA-N 342.395 2.986 0 50 EFAA CN(C(=O)C1CCOCC1)[C@H]1CCCN(CCc2ccccc2)C1 15061711 HUQRNPWLTQCZEA-IBGZPJMESA-N 330.472 2.579 0 50 EFAA O=C(Cc1ccncc1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 239352686 ADAVCNVDIAJFQL-UYAOXDASSA-N 342.414 2.653 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(OC)c1OC 77440408 JLXSWCOKCBXHSC-ZDUSSCGKSA-N 335.400 2.652 0 50 EFAA COc1ccc(CNC(=O)c2ccc(N(C)C)cc2F)cc1OC 131706469 OBVKZRLFDLPKDC-UHFFFAOYSA-N 332.375 2.839 0 50 EFAA CSCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)o1 215598272 QYMRICJVWBFUNC-ZDUSSCGKSA-N 346.456 2.579 0 50 EFAA C[C@H]1OCCN(C(=O)c2ccc(F)cc2)[C@@H]1c1nc(C2CC2)no1 285365214 JXHFUJXUKOJDIF-YGRLFVJLSA-N 331.347 2.688 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1nc(C(C)(C)C)no1 173525754 KPERCGQHBSMKCC-RYUDHWBXSA-N 346.435 2.740 0 50 EFAA O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC2CCC2)CC1 173599676 ZRWBXHZBBWHEIG-UHFFFAOYSA-N 348.921 2.898 0 50 EFAA CCn1nncc1C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 340743924 OYSYPRQOWSRARO-UHFFFAOYSA-N 336.395 2.904 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1cnc(CC2CCCC2)[nH]1 77342279 BHVNWUZGOLOLFB-QGZVFWFLSA-N 332.492 2.975 0 50 EFAA COc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)cc1C1CC1 285444895 KIJFKCJVFZJJOK-YJBOKZPZSA-N 341.411 2.566 0 50 EFAA CN1C(=O)NCC12CCN(C(=O)Nc1cccc3ccsc13)CC2 1365491681 KPBFPPZEYSUJFY-UHFFFAOYSA-N 344.440 2.923 0 50 EFAA COc1cccc2c(N3CCC[C@@H](N(C)CC(=O)O)CC3)ccnc12 263543578 FIJYUSXBKGSHFJ-CQSZACIVSA-N 343.427 2.619 0 50 EFAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](c2nccs2)C1 222210538 AEUPYRKDAQUNBQ-CVEARBPZSA-N 343.452 2.536 0 50 EFAA O=C(CCc1ncc[nH]1)N1CCC(N2CCc3cc(F)ccc32)CC1 287784865 HJYAOGIIMGODKR-UHFFFAOYSA-N 342.418 2.535 0 50 EFAA OC1CC(c2cc(NCCc3nc4cc(Cl)ccc4[nH]3)ncn2)C1 223660112 CNBOLEYLDWKJGH-UHFFFAOYSA-N 343.818 2.899 0 50 EFAA COc1ccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 328621650 APOHXWASJXBMAT-FXAWDEMLSA-N 342.487 2.944 0 50 EFAA c1csc(CN2CCCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c1 426533916 XTRYFKIBWMRNHJ-OAHLLOKOSA-N 344.484 2.754 0 50 EFAA Cc1ccc(F)c(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1Cl 221174715 LEGQGTQYEFXMET-LBPRGKRZSA-N 348.809 2.976 0 50 EFAA C[C@@H](NC(=O)c1cc(N)nc(Cl)c1)c1ccccc1-n1cccn1 178015194 PKKPZAVGOYSNIT-LLVKDONJSA-N 341.802 2.994 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1O 91504166 KDFFKBZMLAXQRL-DLBZAZTESA-N 344.455 2.624 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C 91380781 UYYHYOQAJNGYKX-BDJLRTHQSA-N 329.799 2.729 0 50 EFAA COc1ccccc1-n1cc(C(=O)N(C)[C@@H](C)c2ccncn2)cn1 91441616 UINKSUFTMUQWCJ-ZDUSSCGKSA-N 337.383 2.504 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 95383296 WPTOPQLAEZGWRW-OAHLLOKOSA-N 334.464 2.650 0 50 EFAA COCCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC12CCNCC2 96147822 YMIBEMRHGWJKSB-GOSISDBHSA-N 330.472 2.750 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)N1CCCC[C@@H]1CCn1ccnc1 96166718 WVNKKUJPMCRUKT-CQSZACIVSA-N 339.403 2.631 0 50 EFAA O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCc2[nH]cnc2C1 96136667 XANDRJBHBGHTHK-UHFFFAOYSA-N 335.289 2.503 0 50 EFAA CCCc1nc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cs1 91643920 YEJJAWVGCWAWHU-GFCCVEGCSA-N 346.456 2.507 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(CCCC(=O)c1ccccc1)C2 92022286 ATJCMSYOXPOKTO-ZWKOTPCHSA-N 328.456 2.982 0 50 EFAA COc1ccccc1-n1cc([C@H](C)NC(=O)[C@H]2CC[C@@H](O)CC2)cn1 244742108 OCAPJEXUWLKEDG-OFQRWUPVSA-N 343.427 2.609 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)Nc1nncn1-c1ccccc1 181115826 HQQRWNLBSBZKNN-QGZVFWFLSA-N 334.379 2.910 0 50 EFAA Cc1nc(C)c2c(n1)O[C@H](CN(C)Cc1cc(C(C)(C)C)n[nH]1)C2 252482360 DDTLQVMRRUTVIU-AWEZNQCLSA-N 329.448 2.550 0 50 EFAA CCN1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 299615291 KHNLUSDDURPBGY-UHFFFAOYSA-N 326.444 2.657 0 50 EFAA C[C@H]1Cc2cc(C(=O)N3CCC(N4CCSCC4)CC3)ccc2O1 299790844 CQSFUOSFCRTNIE-AWEZNQCLSA-N 346.496 2.663 0 50 EFAA CC(=O)NCCCc1nc(C(C)C)nn1-c1ccc2c(c1)CCC2 820581025 AMJQRPDIPSZQBF-UHFFFAOYSA-N 326.444 2.948 0 50 EFAA Cc1ccc(-n2nc(CC(N)=O)nc2[C@@H]2C[C@H]2c2ccccc2)cc1 826842117 KEHSHOYDNILQPO-DLBZAZTESA-N 332.407 2.875 0 50 EFAA CN(C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)NC1CCCCCCC1 584896971 WZGFOIKIWRXSLN-IAGOWNOFSA-N 337.508 2.595 0 50 EFAA C[C@@H](c1nnc(N)s1)n1cnc2sc3c(c2c1=O)CCCCC3 584887288 FUVJASNFYRORCI-QMMMGPOBSA-N 347.469 2.770 0 50 EFAA COc1cc(CCNC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)ccn1 1364351897 MKYBXPGXJFRCHL-DLBZAZTESA-N 347.459 2.623 0 50 EFAA CC[C@H](c1ccccn1)N(C)S(=O)(=O)c1ccc2nc[nH]c2c1 952869887 OEZQQESLWCEQBP-MRXNPFEDSA-N 330.413 2.730 0 50 EFAA O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc2c(s1)CCOC2 271558885 PUWGRJQURAVCQH-LBPRGKRZSA-N 339.363 2.562 0 50 EFAA Cc1cc(O)nc(C(C)(C)NC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)n1 636112512 YKARHRCGDLANNW-VBNZEHGJSA-N 325.412 2.892 0 50 EFAA O=c1cc2c(nn1CN1CCC(Oc3ccccc3)CC1)CCCC2 170600005 IQYYTEXJDBBJBI-UHFFFAOYSA-N 339.439 2.623 0 50 EFAA O=C(NCc1ccc(CO)c(F)c1)c1cc(-c2cccs2)on1 170853551 ZCBUFHBNHCBQFH-UHFFFAOYSA-N 332.356 2.965 0 50 EFAA Cc1[nH]c2ccc(C(=O)NCCN3CCOCC3(C)C)cc2c1C 170864528 MJLXAZWYRKDLQS-UHFFFAOYSA-N 329.444 2.625 0 50 EFAA Cc1oc2ncnc(O)c2c1C(=O)N1CC(F)(c2ccccc2F)C1 646883277 VSQSKJSRQGPRGX-UHFFFAOYSA-N 345.305 2.697 0 50 EFAA CC(=O)Nc1ccc(CNC(=O)N2CCC[C@H](OC3CCC3)C2)cc1 654362280 MIVUXAWSCNTZSU-SFHVURJKSA-N 345.443 2.888 0 50 EFAA COCC1(C2CCC2)CN(C(=O)N[C@H](C)c2ccncc2OC)C1 664726732 UYIHWGYVQZLRBK-CYBMUJFWSA-N 333.432 2.609 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 675050176 IMEAEVVVTYUBKX-UHFFFAOYSA-N 332.400 2.579 0 50 EFAA CO[C@H]1CN(CC(C)(C)N2CCCCC2)C[C@H]1Cc1cc(C)no1 1529178810 PORFPHGUYOGNMD-AEFFLSMTSA-N 335.492 2.737 0 50 EFAA CC(=O)c1cnc(N(C)Cc2nccn2Cc2ccccc2)nc1C 1704309294 MWTQVDYSJNFHIF-UHFFFAOYSA-N 335.411 2.869 0 50 EFAA CC(C)Nc1ncc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cn1 1775976496 ALLMWADZESIGHY-UHFFFAOYSA-N 349.398 2.518 0 50 EFAA COc1ccc(-c2cnnc(N[C@H](C)c3cn(C)nc3C)n2)cc1F 11873717 ZTWQTIGUWUPRDX-SNVBAGLBSA-N 342.378 2.901 0 50 EFAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCC1CC1)C2 14743017 UFZFDLVCKGOQCY-MRXNPFEDSA-N 344.503 2.776 0 50 EFAA Cc1cc2c(cc1C)[n+](C[C@H](O)COC[C@@H]1CC=CCC1)cn2C 15746002 HLYUHARIZFXDFI-MSOLQXFVSA-N 329.464 2.816 0 50 EFAA Cc1nc(-c2nccn2C2CCN(c3ncccn3)CC2)n(C)c1C 1857713063 BTPFXXBEWHUGHK-UHFFFAOYSA-N 337.431 2.532 0 50 EFAA CC(C)(O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 305245442 SRGMOTQXHVVPNZ-FUHWJXTLSA-N 348.462 2.800 0 50 EFAA COc1ncc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1Cl 408473859 NJAYTFSSAPIOEE-GFCCVEGCSA-N 335.795 2.538 0 50 EFAA CC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)[C@@H](C)O 408520490 HYSVVFKCZRVXRP-CJNGLKHVSA-N 348.468 2.849 0 50 EFAA CCCOc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl 4988133 RZKUFMFSFVFBJG-NSHDSACASA-N 333.837 2.586 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 238074417 MKQLOXPWYQTWLK-AGIUHOORSA-N 338.201 2.628 0 50 EFAA COc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(F)F)cc1F 242324360 ZAPDUVMLBBAJDU-ZDUSSCGKSA-N 327.306 2.612 0 50 EFAA O=C(c1ccncc1F)N1CCN(Cc2cccc(Cl)c2)CC1 130788061 SMSTWKBHDATKLT-UHFFFAOYSA-N 333.794 2.832 0 50 EFAA COc1ccnc(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)c1F 661864209 NOSXBSMOTJEOQI-AWEZNQCLSA-N 345.374 2.592 0 50 EFAA CC(C)[C@@]1(O)CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C[C@@H]1C 248160914 GUOXMAQJDKRYHH-YWZLYKJASA-N 349.446 2.739 0 50 EFAA CC(C)Cc1ccccc1C(=O)N[C@@H](C)C(=O)NCc1ccco1 252482424 DEYVBUNIXDDBJA-AWEZNQCLSA-N 328.412 2.913 0 50 EFAA CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(N3CCCC3=O)cn2)CCO1 253425802 FSPICKNHRRFSNH-GDBMZVCRSA-N 345.443 2.988 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)c(C)n1 375156258 AUIDWEYZBGZJJB-HNNXBMFYSA-N 329.400 2.735 0 50 EFAA Cc1cc(NCc2ccc(S(N)(=O)=O)s2)nn1-c1ccccc1 1201750151 GBXKVFPQVQCLDD-UHFFFAOYSA-N 348.453 2.502 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccccc2C(F)(F)F)C[C@H]1C(=O)O 901645922 IFMURXHESNPJHA-ZYHUDNBSSA-N 329.318 2.817 0 50 EFAA Cn1nc(C(=O)NC2(CC(=O)O)CCCC2)cc1-c1ccc(F)cc1 907658885 FIYOZXKWIKGWBF-UHFFFAOYSA-N 345.374 2.744 0 50 EFAA O=C(c1cc(-n2cccc2)ccc1Cl)N1CCC[C@@H]1c1nn[nH]n1 930775243 FRZKNHKZIPNURL-CQSZACIVSA-N 342.790 2.621 0 50 EFAA Cc1cccc2oc(C(=O)NC(C)(C)c3noc(CN(C)C)n3)cc12 931496675 XBXVQZPONCVPOO-UHFFFAOYSA-N 342.399 2.851 0 50 EFAA O=C(Cc1ccccc1S(=O)(=O)C(F)F)OCC1CC=CC1 849799108 JWLSHINASIFEGG-UHFFFAOYSA-N 330.352 2.735 0 50 EFAA Cc1csc2ncnc(NC(c3ccnn3C)c3ccnn3C)c12 858836146 TWZVEIJNEMRZTO-UHFFFAOYSA-N 339.428 2.668 0 50 EFAA CN1CCCN(CCCN2CCC(Cc3ccccc3)CC2)CC1 952879488 DTMNZJONAOKCHW-UHFFFAOYSA-N 329.532 2.969 0 50 EFAA C[C@@H](Nc1ncnc2c1nnn2C1CC1)c1cccc(-n2ccnc2)c1 1875275402 LVZVOWWWCYLZAA-GFCCVEGCSA-N 346.398 2.915 0 50 EFAA CC(C)c1c[nH]nc1CNC(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 1875301547 MLGXNUIHUNWDEF-MFKMUULPSA-N 348.369 2.784 0 50 EFAA Cc1cc(Oc2ccc(-n3cncn3)cc2)nc(-n2nc(C)cc2C)n1 1875330430 XOWSWLUFBNKARO-UHFFFAOYSA-N 347.382 2.961 0 50 EFAA COC1(OC)CC2(CN(C(=O)Nc3cncc(F)c3)[C@H]2C(C)C)C1 877871392 OIIGNSDKDUOKJQ-AWEZNQCLSA-N 337.395 2.862 0 50 EFAA C[C@@H]1CN(C)C[C@H](c2nc(Cc3cc(Cl)cc4c3OCC4)no2)O1 886082554 OLNNZOXORJYNOP-QMTHXVAHSA-N 349.818 2.640 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2conc2C(C)C)C3)n1 888099269 VBRJDKCWNIVNEB-SJCJKPOMSA-N 330.388 2.683 0 50 EFAA O=C(N[C@@H](CCO)C1CCCC1)c1ncccc1-c1ccccn1 889122486 WQCUVWUXFDPPPE-INIZCTEOSA-N 325.412 2.815 0 50 EFAA Fc1ccccc1-n1ncc2c(N3CCC[C@@H]4COC[C@@H]43)ncnc21 894167125 IOAHCDRLNPBXEZ-WBMJQRKESA-N 339.374 2.570 0 50 EFAA C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cc(C(F)(F)F)ncn2)n[nH]1 1776005636 MODRTAGTVMMOCM-RQJHMYQMSA-N 326.282 2.986 0 50 EFAA CCOC(=O)CNC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 2320106 OAGRRASZQUUOLW-LBPRGKRZSA-N 334.803 2.921 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccccn2)ccc1Br 384695 NANVULWOTSJVLT-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)NCc1ccc(Cl)c(Cl)c1 2325757520 OIYCLQWYHRFIKF-UHFFFAOYSA-N 325.199 2.779 0 50 EFAA CC(C)(C)OC1CCN(c2nnnn2C2CCSCC2)CC1 2325764976 VZJIGQKLQDZDOC-UHFFFAOYSA-N 325.482 2.525 0 50 EFAA O=S(=O)(NCc1cccs1)c1ccc(Br)cc1 460619 MXSJEJIYFFPEMO-UHFFFAOYSA-N 332.244 2.989 0 50 EFAA CC(=O)N1[C@@H](c2ccccc2)CC(=O)O[C@@H]1c1ccc2c(c1)OCO2 489422 GTCXRHKYOKPUID-DNVCBOLYSA-N 339.347 2.951 0 50 EFAA biogenic S=C1N[C@@H](c2ccccc2)N2C(=S)N[C@@H](c3ccccc3)N12 1811702 LRGBKQAXMKYMHJ-ZIAGYGMSSA-N 326.450 2.679 0 50 EFAA Cc1ccccc1CN1CCc2nc(C3CCOCC3)nn2CC1 2356149257 QYOYKTWANIHFHK-UHFFFAOYSA-N 326.444 2.539 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)c1 101900110 FSMPVYXFITZGDE-NXNVCVFFSA-N 339.391 2.955 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)[nH]n1 55168651 ZEXYQMZVOGBMEW-UHFFFAOYSA-N 330.407 2.630 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccccc3F)C[C@@H]2CCO)o1 22926232 DUVAKGDUBCZLIV-KRWDZBQOSA-N 332.419 2.796 0 50 EFAA CS(=O)(=O)c1ccc(Cc2nc(CCc3ccccc3)n[nH]2)cc1 65394320 AQIODKNSNDXICS-UHFFFAOYSA-N 341.436 2.584 0 50 EFAA CN(CCC(=O)N1CCCc2ccccc21)Cc1n[nH]c2c1CCC2 67724264 CJOHCTWXUQOOIL-UHFFFAOYSA-N 338.455 2.700 0 50 EFAA CCc1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 65362619 SFTGHDWZRIGMFS-UHFFFAOYSA-N 325.416 2.702 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccccc2C)n1 67604274 SDWLEPCWAHPUCA-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA O=C([C@@H]1CC12CCC2)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72427032 XQGWRPNICZOHGS-HNNXBMFYSA-N 347.386 2.841 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 253623485 WNZLQHSSDHIUPF-UONOGXRCSA-N 329.331 2.777 0 50 EFAA Nc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 71763158 DWRNPWWXSDXHTH-LBPRGKRZSA-N 325.199 2.944 0 50 EFAA CC(C)[C@@H](c1cccnc1)N(C)S(=O)(=O)CC[C@H]1CCCO1 252477705 UJQHQHSCLZOFCW-CVEARBPZSA-N 326.462 2.609 0 50 EFAA C[C@H](NCCc1csc(-c2cccnc2)n1)C(=O)NC1CCCC1 65376391 GGEJINLYNMFLRT-ZDUSSCGKSA-N 344.484 2.785 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 229577726 PLIRVMWIVRJZLO-IAGOWNOFSA-N 349.519 2.548 0 50 EFAA CCc1nn(C)c(OC)c1CN[C@@H]1CCN(c2ccc(C)cc2)C1 120570466 WSCIPNBMDDUBPC-OAHLLOKOSA-N 328.460 2.668 0 50 EFAA c1coc(-c2noc(CN3CCCC[C@@H]3CCn3cccn3)n2)c1 77300467 BELJWYZAYVRYME-CQSZACIVSA-N 327.388 2.971 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1 153955504 HRLTUHQHYLUQJF-VXGBXAGGSA-N 330.350 2.727 0 50 EFAA COc1cccc(-n2cc(CN(C)c3ncnc4c3CCC4)cn2)c1 77386241 UVZIBDQVEFCXRV-UHFFFAOYSA-N 335.411 2.796 0 50 EFAA C[C@@H](OCC(=O)N1Cc2ccccc2C2(CC2)C1)c1nccn1C 376379349 YCMXUTDSXYIUKJ-CQSZACIVSA-N 325.412 2.572 0 50 EFAA Cc1nc2ccccn2c(=O)c1CCN[C@H]1CCc2ccccc2OC1 368595631 XPQAJXCZUDNHES-KRWDZBQOSA-N 349.434 2.529 0 50 EFAA CC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)o2)c2ccccc2O1 332014589 FYSVQVTYCNCOKX-UHFFFAOYSA-N 335.381 2.501 0 50 EFAA COc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)ccc1C(=O)O 262858541 DYRUDEATINUESD-LBPRGKRZSA-N 348.380 2.954 0 50 EFAA Cn1ncc2c(N3CCC(CO)(Cc4ccccc4)CC3)ccnc21 287641753 HSBMYBOXQFVNQI-UHFFFAOYSA-N 336.439 2.790 0 50 EFAA CCn1ccnc1[C@H](NC(=O)c1ncccc1C)C1CCOCC1 286839289 MKYFSTYENIBROR-MRXNPFEDSA-N 328.416 2.504 0 50 EFAA O=C(CC(O)CC(=O)NC1CCCCCC1)NC1CCCCCC1 241961387 USBLXQSQVCHWHA-UHFFFAOYSA-N 338.492 2.806 0 50 EFAA O=C(NC1(CO)CCSCC1)c1cc(F)cc(C(F)(F)F)c1 458082650 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Cc1ccc2[nH]c(=O)cc(C(=O)NCCSC(F)(F)F)c2c1 97766382 MRNXPBUFFOKUIB-UHFFFAOYSA-N 330.331 2.819 0 50 EFAA CC1(C)CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@]1(C)O 91915315 JCCRWZQPHGNDLV-SFHVURJKSA-N 330.453 2.967 0 50 EFAA COc1cccc(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1OC 95357114 BHLCKMWSFYNRJQ-KRWDZBQOSA-N 346.402 2.762 0 50 EFAA CN1C[C@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1 91657173 TYNOIZQBDCTZTD-QGZVFWFLSA-N 337.471 2.765 0 50 EFAA O=C(NCc1nnc(-c2ccccc2)o1)[C@H]1CCOc2ccccc2C1 97259345 QAJLXUIRFHKKKZ-INIZCTEOSA-N 349.390 2.994 0 50 EFAA CN(C)Cc1ccc(C(=O)N(Cc2cocn2)Cc2cocn2)cc1 97076765 LWSBGMSYYKRZIO-UHFFFAOYSA-N 340.383 2.567 0 50 EFAA Cn1cnc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1 294728175 XQNZJUXRHKZDBC-UHFFFAOYSA-N 349.822 2.505 0 50 EFAA OCc1csc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 96165743 QXOBVJSZPUVROG-GFCCVEGCSA-N 328.441 2.971 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H](C)c1c(C)noc1C 237492535 RRRQEPVDADPBOO-SNVBAGLBSA-N 332.356 2.805 0 50 EFAA COCc1noc([C@@H](C)N(C)CCOc2cccc(Cl)c2)n1 181500371 MROWGFMVWJCOOK-LLVKDONJSA-N 325.796 2.941 0 50 EFAA Cc1ccc(CNC(=O)c2cccc(O)c2)c(O[C@@H]2CCOC2)c1 182601659 VXWGFBFFEOIISM-QGZVFWFLSA-N 327.380 2.798 0 50 EFAA O=C(N[C@]1(CO)CCOC1)c1cc(-c2ccccc2)ccc1Cl 182871607 XZTUXUSVBUOOGL-SFHVURJKSA-N 331.799 2.888 0 50 EFAA Cc1ccc(C)c(-n2ncc(C(=O)N(C)Cc3noc(C)n3)c2C)c1 183343697 CKGSDIIXWYLXGN-UHFFFAOYSA-N 339.399 2.761 0 50 EFAA CC[C@H](C)[C@H](CO)NC(=O)Cc1c(C)n[nH]c1-c1ccc(F)cc1 252508717 XRLTXMWDGQOUGA-ZBEGNZNMSA-N 333.407 2.590 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 299744608 PJLKWKLNFCCJAA-OAHLLOKOSA-N 341.411 2.518 0 50 EFAA O=C(NCCCn1cccc1)N1CC(OCc2ccccc2F)C1 534574458 DBSISTMDZLPWGC-UHFFFAOYSA-N 331.391 2.628 0 50 EFAA COc1ccc(C)c(NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 299767965 GVZJBIZEPKRLJC-KRWDZBQOSA-N 347.459 2.769 0 50 EFAA C[C@@H]1O[C@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 584904268 GUBBGFQZZOLTHG-RJIPVZNBSA-N 342.391 2.792 0 50 EFAA Cn1ccnc1-c1cc(NC(=O)c2cc3c(o2)CCCC3)n(C)n1 1338883139 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339.365 2.922 0 50 EFAA C[C@@H](CNC(=O)c1cccnc1-n1ccnc1)Oc1ccc(F)cc1 170595087 OCJVSVMABJRGFL-ZDUSSCGKSA-N 340.358 2.604 0 50 EFAA Cc1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c(=O)n1C 278966429 HCQIZGUMJRKMSU-CJNGLKHVSA-N 343.427 2.970 0 50 EFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@]2(CC=CCC2)C1 170626891 JQSINNKVGOEKBK-PXNSSMCTSA-N 348.487 2.753 0 50 EFAA CNc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cn1 170617941 JILDLDPRMRPULG-UHFFFAOYSA-N 342.468 2.924 0 50 EFAA CNS(=O)(=O)c1ccc(-c2nc(-c3c(C)noc3C)cs2)cc1 187003170 NMKFDQZNXYUDAT-UHFFFAOYSA-N 349.437 2.990 0 50 EFAA COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccon1 188886301 ZHEOTMHWPOPYLE-QMMMGPOBSA-N 325.162 2.937 0 50 EFAA CCc1nc2ccccc2n1C1CCN([C@@H](C)c2nnnn2C)CC1 189810307 NXVZGBZKRVBWKT-ZDUSSCGKSA-N 339.447 2.520 0 50 EFAA O=C(Cc1cnc2ccccc2c1)N1CCSC2(CCOCC2)C1 190793521 LGMWTPRMJWGSLP-UHFFFAOYSA-N 342.464 2.902 0 50 EFAA CCOC(=O)[C@H](NC(=O)Cc1cc(C)on1)c1ccc(Cl)cc1 193859584 PBUPPOWBTNBQQJ-OAHLLOKOSA-N 336.775 2.600 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1ccc(C)cn1 657487507 KMXWAHTUCPCGSH-QFBILLFUSA-N 328.460 2.906 0 50 EFAA Cc1ccc(NC(=O)CCNc2nc(C)cc(C(=O)O)n2)c(C)c1 1506402804 LUUNNGNCXVPEDG-UHFFFAOYSA-N 328.372 2.541 0 50 EFAA COCC1(C(=O)N2CCCN(c3ncccc3Cl)CC2)CCC1 1800413436 HMPGDBMAKGGQSK-UHFFFAOYSA-N 337.851 2.590 0 50 EFAA C[C@@H](C[C@@H](C)O)NCc1cc(I)cs1 1775989874 CDDADLIFAWDPQA-JGVFFNPUSA-N 325.215 2.602 0 50 EFAA Cc1cc(C)nc(CNC(=O)c2cn(C3CCCCCC3)nn2)n1 12586147 BWJNCERCVHDTRJ-UHFFFAOYSA-N 328.420 2.510 0 50 EFAA COc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 12864718 AWMDDLBSCIARST-UHFFFAOYSA-N 348.443 2.927 0 50 EFAA Cc1ccccc1CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 16579797 KOVQLWZRXOHHFO-UHFFFAOYSA-N 348.443 2.786 0 50 EFAA COc1ccc(CCN2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1OC 18222031 LLCKREMNAANBEE-HZPDHXFCSA-N 343.423 2.978 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2C[C@@H]3CC(=O)N[C@@H]3C2)cc1 1857666759 CMGPUXVAXUUBKS-DOTOQJQBSA-N 328.456 2.767 0 50 EFAA C[C@H]1CN(Cc2cccc3ccnn23)CCN1c1ccc(F)cn1 1857674203 XDFLNKVFFCICHU-AWEZNQCLSA-N 325.391 2.579 0 50 EFAA COc1cc(-c2nccn2-c2ccc(CC(=O)NC3CC3)cc2)ccn1 1857685680 PIOJLYUYBHLRKJ-UHFFFAOYSA-N 348.406 2.764 0 50 EFAA CCn1ccnc1CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857701592 WLNWPMUTMVCRQU-UHFFFAOYSA-N 335.455 2.904 0 50 EFAA O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857711269 QWBFQXZYUPLHDT-SJLPKXTDSA-N 340.423 2.902 0 50 EFAA Cn1cc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3Cl)CCO2)cn1 408517882 OKTBUEBOMCIEMN-DOMZBBRYSA-N 337.782 2.863 0 50 EFAA CCCc1ccc(Cl)c(S(=O)(=O)N(C)c2nncs2)c1 225435739 ADHFXQIXVJFXNT-UHFFFAOYSA-N 331.850 2.969 0 50 EFAA NCC[C@@H]1CCCN(C(=O)NCc2ccccc2N2CCCCC2)C1 417999227 VTOUFTAROSTYEL-KRWDZBQOSA-N 344.503 2.947 0 50 EFAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)c1ccc2c(c1)CCC(=O)N2 237615518 AHLCVCZUZZNYQS-NSHDSACASA-N 338.363 2.761 0 50 EFAA O=C([C@@H]1CCCc2nccn21)N1CCCN(CC2CCCCC2)CC1 353090061 FKINIXUGXJBMJD-SFHVURJKSA-N 344.503 2.875 0 50 EFAA Cc1csc(N2CCC(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)n1 253370173 NGXXIEKAGZTNRK-ARFHVFGLSA-N 333.501 2.968 0 50 EFAA Cc1cc(=O)[nH]c(-c2cccc(CN(C)Cc3c(C)n[nH]c3C)c2)n1 23232222 QAYDGPCTDUSIRX-UHFFFAOYSA-N 337.427 2.717 0 50 EFAA COc1cccc(CN2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1F 370299333 SKNBUCSJLSZAJZ-CQSZACIVSA-N 335.379 2.914 0 50 EFAA Cc1nc(C(=O)N[C@]2(C)CCOC2)nn1-c1ccccc1C(C)C 156697729 CRHSBVXTIZBHBA-GOSISDBHSA-N 328.416 2.608 0 50 EFAA NC(=O)Nc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 378421908 JPDXEXGICPTBLP-UHFFFAOYSA-N 338.411 2.667 0 50 EFAA O=C(O)Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 266140553 FLHOIXZEHSLEQS-UHFFFAOYSA-N 345.420 2.993 0 50 EFAA COc1ccc(C[C@@H]2CCCCN2Cc2cn(C)nc2C(=O)O)cc1 902534044 FJWWBFRHXLIBBA-INIZCTEOSA-N 343.427 2.724 0 50 EFAA Cc1ccccc1-c1csc(=O)n1Cc1noc2c1COCC2 902711338 QSVKFCLUGAXFEW-UHFFFAOYSA-N 328.393 2.994 0 50 EFAA COc1cc(C)c(CN2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c(C)n1 952889529 GSLQWPVZTNAOFT-KXBFYZLASA-N 342.443 2.952 0 50 EFAA Cc1ccc(NC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)cc1Cl 952994578 YSKFNXNADMQECG-SNVBAGLBSA-N 348.790 2.871 0 50 EFAA CCOC(=O)c1cnc(N2CC(c3cnc4ccccc4n3)C2)nc1C 952992568 ONIDXGVPZLPVTH-UHFFFAOYSA-N 349.394 2.509 0 50 EFAA CCc1c(C(=O)NCC[C@H](C)C(=O)O)cnn1-c1ccc(C)cc1 1875277675 XWDXLSUBOLBPNR-ZDUSSCGKSA-N 329.400 2.584 0 50 EFAA Cc1cnccc1C(=O)N[C@H]1CC[C@H]2CCN(C(=O)C(C)C)[C@H]1C2 1875338653 FVUZQOFFUBBVIG-XIRDDKMYSA-N 329.444 2.545 0 50 EFAA CCc1cnc(CN(C)C[C@H](O)c2cc(Br)no2)s1 878160748 FKQMIJBSBHSYIA-VIFPVBQESA-N 346.250 2.621 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)C[C@H]2CCC(=O)N2)cc1 888099015 STYOKCJQAOSQNK-FUHWJXTLSA-N 347.503 2.554 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc3c2OCC3(C)C)C1 888077855 ZGYKVHYXPJPDEK-IUODEOHRSA-N 341.411 2.682 0 50 EFAA COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(=O)O)c2ccccn2)c1 1775992746 VFDPVHREASRLPZ-GUYCJALGSA-N 342.395 2.916 0 50 EFAA Cc1c(C(F)(F)F)n[nH]c1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 1775999305 IYLTYEOYBQGKNL-QMMMGPOBSA-N 329.282 2.564 0 50 EFAA O=C(Nc1ccccn1)C1CCN(c2ccc(-c3cc[nH]n3)cn2)CC1 2325802099 HPJBEIXMWXTLQS-UHFFFAOYSA-N 348.410 2.722 0 50 EFAA Cc1nccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3F)C2)c1N 2325811379 ULOXBBXNWHUMLX-LBPRGKRZSA-N 346.381 2.507 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@H](NC(=O)[C@@H]4[C@@H](C)[C@H]4C)C3)[nH]c12 2325842665 DWQXHLPZAGKTEG-UICACZKSSA-N 339.439 2.709 0 50 EFAA CC[C@H](NS(=O)(=O)c1ccoc1C(=O)O)c1cc(F)ccc1F 2325866355 ICMQJIWVAMHTBR-NSHDSACASA-N 345.323 2.686 0 50 EFAA O=C(Cc1ccccc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 302372 IBKROSLURNUKDB-SWLSCSKDSA-N 326.318 2.868 0 50 EFAA CC(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 358862 ZVAXQVOITDBSOI-UHFFFAOYSA-N 328.393 2.781 0 50 EFAA COc1ccc(Br)cc1C(=O)Nc1ccccc1C(N)=O 569338 UJXJNUPNCKLEHQ-UHFFFAOYSA-N 349.184 2.809 0 50 EFAA CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=O)cc1OC 618704 DYMZKHNCCPUNSE-MRVPVSSYSA-N 331.162 2.601 0 50 EFAA Cc1occc1-c1nnc(SCC(=O)NCc2ccccc2)n1C 2627867 ZDRRTCGRJJBZFR-UHFFFAOYSA-N 342.424 2.792 0 50 EFAA CCOC(=O)Cc1csc2nc3sc4c(c3c(=O)n12)CCC4 2694915 USIGZNUNGZKAAL-UHFFFAOYSA-N 334.422 2.565 0 50 EFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6742220 KKGKJGJVNHIQPH-HOTGVXAUSA-N 342.395 2.528 0 50 EFAA CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 10494617 SRWKVQHNFNGIOJ-GJZGRUSLSA-N 330.428 2.839 0 50 EFAA CCCn1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(C)n1 55243373 OQJDJHDDNFNKSI-QGZVFWFLSA-N 342.443 2.818 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3cccc(F)c3)C2)n1 117029715 DFHUPCOLWASWNQ-MRXNPFEDSA-N 345.422 2.656 0 50 EFAA COc1ccc(C)cc1-n1c(Cc2c[nH]c3ccccc23)n[nH]c1=O 67741939 JSBQSAFTKURFIG-UHFFFAOYSA-N 334.379 2.950 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](O)c2ccccc2)c1 65470543 CMMSCUNWUGESJW-INIZCTEOSA-N 332.787 2.762 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 346517780 ZTUKHJYAXSLKLV-UHFFFAOYSA-N 348.336 2.742 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)n1 350027364 OCSBRIDXTFBLBC-QMMMGPOBSA-N 344.462 2.598 0 50 EFAA CN(C(=O)CC(C)(C)O)[C@@H](c1ccc(Cl)cc1)c1cnccn1 350152092 JUZJWMRKDTYGRP-INIZCTEOSA-N 333.819 2.839 0 50 EFAA Cc1oncc1C(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1 23128817 SUCPVSSCBICJRC-UHFFFAOYSA-N 337.383 2.719 0 50 EFAA CCOCCN1CCN(C[C@@H](O)c2ccccc2Cl)C[C@@H]1CC 229388145 OHZSYNBONNISPV-MAUKXSAKSA-N 340.895 2.806 0 50 EFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@@H](O)c1cccc(Cl)c1 229614724 LEJRUYJPNNAMOQ-FABXCBLPSA-N 347.798 2.718 0 50 EFAA CCN1CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)CC1=O 72447615 QOVCPKABLAFETR-UHFFFAOYSA-N 326.849 2.876 0 50 EFAA CN(CCn1c(=O)oc2ccccc21)Cc1ccc2nsnc2c1 215712223 HDXSHRSZUQBNBJ-UHFFFAOYSA-N 340.408 2.731 0 50 EFAA CCCN1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@H]1C(=O)O 72481071 PMJMHFCJJOKZEE-KRWDZBQOSA-N 331.460 2.541 0 50 EFAA CC1(NC(=O)c2cc(Br)cc3[nH]cnc23)CCOCC1 282475687 LYRQLMKDHRVMGB-UHFFFAOYSA-N 338.205 2.624 0 50 EFAA COc1cccc(CN2CCN(Cc3ccc(F)cc3C)CC2=O)c1 72168122 XYPKWRRHUYISAU-UHFFFAOYSA-N 342.414 2.987 0 50 EFAA CCN(CC(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CC1 151993006 ZTJUEHYHJMVRLW-UHFFFAOYSA-N 325.416 2.772 0 50 EFAA CC(=O)c1cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)n(C)c1 253426275 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2.873 0 50 EFAA CCOC1CC(CN2CCC[C@H](Cc3nnc4ccccn34)C2)C1 375615851 AKLHGKLVFIHXDA-KLAILNCOSA-N 328.460 2.799 0 50 EFAA C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)N(C)C 240278323 DQLYMSNUEXVEHB-SWHYSGLUSA-N 325.250 2.619 0 50 EFAA c1ccc(-c2nnc(CN[C@H]3CCOC4(CCOCC4)C3)o2)cc1 77388996 DYQZPFNFWRWIDQ-HNNXBMFYSA-N 329.400 2.554 0 50 EFAA CN(C)c1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1 72473207 YAAQOFCDTLSQAE-HXUWFJFHSA-N 339.483 2.963 0 50 EFAA Cn1ccnc1[C@H](Nc1nccc(C(F)(F)F)n1)C1CCOCC1 284658683 VYMWFARSNAKKTL-GFCCVEGCSA-N 341.337 2.809 0 50 EFAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)c3ccoc3)CC2)c1 72410956 WQBWHRCKDZXDPS-UHFFFAOYSA-N 329.352 2.726 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 284792585 JTYAWYNDPUVMLI-RBUKOAKNSA-N 325.408 2.504 0 50 EFAA Cc1ccc(N2CCO[C@@H](C(=O)Nc3cccc(C(C)C)c3)C2)nn1 72431155 OUTHLUUVJDCTKV-QGZVFWFLSA-N 340.427 2.752 0 50 EFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1 285385778 ZPOXHBZSOVOGFR-AOIWGVFYSA-N 341.459 2.568 0 50 EFAA O=C(Nc1cnn(CC(F)F)c1)N1CCCN(c2ccccc2)CC1 174845935 OCJKOOZIYMQFKD-UHFFFAOYSA-N 349.385 2.892 0 50 EFAA O=C(O)c1sc(Br)cc1I 83351211 CJFDZTGODIPKKJ-UHFFFAOYSA-N 332.944 2.813 0 50 EFAA C[C@@H]1CN(CCC2CCN(CCc3cccnc3)CC2)C[C@@H](C)O1 177495166 RJECFJZGCIKZKD-QZTJIDSGSA-N 331.504 2.835 0 50 EFAA O=C(NCC(F)(F)F)c1cc(CN2CCc3ccccc3C2)on1 20166309 SNKBNISKDWYWNA-UHFFFAOYSA-N 339.317 2.525 0 50 EFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)n1 291841129 JDYKVQCFROSVTJ-NWDGAFQWSA-N 334.445 2.870 0 50 EFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)C1(C(F)(F)F)CCC1 294435861 MMRWQMHXJZPMKX-LLVKDONJSA-N 347.358 2.754 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc(-c2cc(N)ncn2)cc1)C(F)(F)F 426431119 MOXWIXQINXIEDQ-CQSZACIVSA-N 338.333 3.043 0 50 EFAA Cn1nc(C(=O)N2CCC(c3ncon3)CC2)cc1-c1cccs1 426504002 NKUXUIRYGMIQRZ-UHFFFAOYSA-N 343.412 2.551 0 50 EFAA CN1C(=O)CN(CCCCOc2ccccc2)C(=O)c2ccccc21 95523074 XFQLMDCDJHOGGQ-UHFFFAOYSA-N 338.407 2.964 0 50 EFAA CC(C)(C)C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95356552 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O=C(NC1CC1)c1ccnc(C[C@@H]2CC(=O)N(c3ccccc3)C2)c1 252482661 DLUDITYQTFEKCL-CQSZACIVSA-N 335.407 2.569 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 299744800 PYVNRRSSBNRENR-SQNIBIBYSA-N 339.366 2.967 0 50 EFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCCN(c2ccccc2)C1 184340122 UXQAHHRMVOSBAK-AWEZNQCLSA-N 336.399 2.520 0 50 EFAA CSc1ccc2c(c1)CCN(C(=O)c1cnc3cnn(C)c3c1)C2 1940198273 ZWQSPMHHKQFVEO-UHFFFAOYSA-N 338.436 2.889 0 50 EFAA Cc1cc(NC(=O)NCc2cnn3cccnc23)n([C@H](C)C2CC2)n1 299783771 WWWJLRJOLHXYHX-GFCCVEGCSA-N 339.403 2.527 0 50 EFAA O=C(NCCCC[C@H]1CCCO1)c1cccc(-c2cc(O)ncn2)c1 299778930 PWDRVUHFJCVLKX-INIZCTEOSA-N 341.411 2.928 0 50 EFAA CSc1ccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 299783185 FKBKTHIBUCLOIM-UHFFFAOYSA-N 347.484 2.819 0 50 EFAA O=C1CCCCCN1CCC(=O)N1CCCN(C2CCCCC2)CC1 827939091 KVBNSUYNZDFMDU-UHFFFAOYSA-N 349.519 2.646 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)o1 825197835 ODFKFHFCAUEEKH-HNNXBMFYSA-N 333.409 2.514 0 50 EFAA C[C@H](C(=O)NCC1(N2CCOCC2)CCCCCC1)n1cccc1 584884860 UBXILXNRKZBDDG-QGZVFWFLSA-N 333.476 2.591 0 50 EFAA Nc1nc(CCCNC(=O)c2ccc(-c3cnco3)cc2)cs1 670439684 VJRMHRPTAVZUHV-UHFFFAOYSA-N 328.397 2.743 0 50 EFAA Cc1cccc2nc(NCc3nnc4ccc(N(C)C)nn34)sc12 1354277676 CAYSNPSTPQHCKZ-UHFFFAOYSA-N 339.428 2.721 0 50 EFAA CCn1c(=O)c(N[C@H](CO)c2cc(F)ccc2F)nc2ccccc21 1458713142 INZANHBPUKGLIC-OAHLLOKOSA-N 345.349 2.840 0 50 EFAA Brc1cncc(NC2CCN(c3cccnn3)CC2)c1 277270464 XWXWYEMFAIEDKX-UHFFFAOYSA-N 334.221 2.715 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1CC[C@H](Oc3ccccn3)C1)CC2 277802034 ZFAKFXSLNJXNQY-DLBZAZTESA-N 338.407 2.800 0 50 EFAA Cc1cc(C(=O)NC2CCN(Cc3c(C)noc3C)CC2)c(C)o1 170776761 QFQCCIHFBUTOIN-UHFFFAOYSA-N 331.416 2.896 0 50 EFAA Cc1ccn2ncc(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)c2n1 170811052 TZHXRCLCGIWTPA-UHFFFAOYSA-N 346.394 2.904 0 50 EFAA CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)N(C)C)cn1 280043693 OCMVBAQYYHCGEH-ZFWWWQNUSA-N 333.432 2.707 0 50 EFAA O=C1CCc2ccc(OC(=O)c3cc(F)cc4[nH]cnc34)cc2N1 186715983 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CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1529178115 JABWYWBEVCRWEF-UYAOXDASSA-N 325.456 2.711 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3ccncc3F)C2)N1Cc1ccccc1 216769436 IFSQEHKHOGJTJR-CVEARBPZSA-N 325.387 2.848 0 50 EFAA COc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1O 1772807096 IVXHCNWGOITEOV-UHFFFAOYSA-N 335.363 2.539 0 50 EFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl 12057073 LDKAZNRXQVUJIX-LLVKDONJSA-N 334.782 2.668 0 50 EFAA CSc1nnc(CNC(=O)c2ccco2)n1Cc1ccccc1 12157001 QLJXTMYUBKFUQM-UHFFFAOYSA-N 328.397 2.571 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)Cc3cccc4ccccc34)C2)C1=O 12200573 QCWQJXBLZCZWHW-OAQYLSRUSA-N 336.435 2.853 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1 12373790 CGLDZYVAVOFLGC-INIZCTEOSA-N 333.428 2.820 0 50 EFAA COCCn1cnc2sc3c(c2c1=O)CC[C@H](N(C)CC(C)C)C3 12456948 LTEIJQIJYZBZNE-ZDUSSCGKSA-N 349.500 2.550 0 50 EFAA COc1ccccc1CCNC(=O)c1cc(OC)c(OC)cc1OC 13328764 YAQRFDAQZZVUKJ-UHFFFAOYSA-N 345.395 2.694 0 50 EFAA COc1ccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 15746065 UEXCPFTTYNJCTA-INIZCTEOSA-N 341.431 2.531 0 50 EFAA CC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1=NCCS1 16604591 GBOPSOBPCUDXHC-LLVKDONJSA-N 343.246 2.826 0 50 EFAA CC(=O)NCCn1ccnc1-c1cc2ccc(Cl)cc2nc1O 1857682085 HMOJOKLLYHEPPU-UHFFFAOYSA-N 330.775 2.593 0 50 EFAA Cc1c(-n2ccnc2-c2cncn2C(C)C)c(N2CCCC2)nn1C 1857683438 UAMWJKLWBWTCQK-UHFFFAOYSA-N 339.447 2.959 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc(OC)c(C)c3)CC2)O1 1857701916 YKUFBCIQEKFYDA-SJORKVTESA-N 347.455 2.928 0 50 EFAA CCc1oc2c(NC(=O)c3cn4c(n3)CCNCC4)cccc2c1C 1857734378 QSWBPFPYXBDCDH-UHFFFAOYSA-N 338.411 2.898 0 50 EFAA COc1c2c(nc3occc13)[C@](CCC(C)(C)O)(OC)[C@@H](O)CC2 199438 KHGNFPUMBJSZSM-SCLBCKFNSA-N 335.400 2.536 0 50 EFAA biogenic,in-vitro C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)Cc1cc(Cl)cn1C 408473541 UKKHXOOXGLSMPT-CZUORRHYSA-N 346.862 2.804 0 50 EFAA CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc[nH]c(=O)c1 120953007 VPCVEKTXCCGNCK-UHFFFAOYSA-N 347.802 2.519 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H](C)n2ccnc21 333222771 WXAOWZSPQSKYBC-PWSUYJOCSA-N 325.821 2.829 0 50 EFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CC1CCOCC1 238138710 HBOLREYADHWYAG-UHFFFAOYSA-N 341.354 2.585 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCC(=O)NC1(C)C 338697300 LCXHJTDYJCBBRN-ZDUSSCGKSA-N 333.819 2.917 0 50 EFAA Cc1ccc(C[C@H](CO)CNCc2ccc3c(c2)OCCO3)cc1 252497188 QAZHFMXIADZDTB-SFHVURJKSA-N 327.424 2.707 0 50 EFAA CC[C@H](C)n1nc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)cc1C 679203536 PHSDTPGUIPUAGS-ZDUSSCGKSA-N 346.475 2.636 0 50 EFAA C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](Cc2cnn(C)c2)C1 363305416 BLLHDUUSDPYGMK-KGLIPLIRSA-N 346.862 2.965 0 50 EFAA CCc1c(C)nc(-c2ccc(CN3CC[C@H](COC)C3)cc2)[nH]c1=O 23580877 QJOUSTZASKEJHD-INIZCTEOSA-N 341.455 2.776 0 50 EFAA NS(=O)(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c(C(=O)O)c1 392066630 GBZNHEXIYBGLOY-OAHLLOKOSA-N 346.408 2.522 0 50 EFAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CCN2CCCC[C@H]2C1 930950893 VUMHGSGWOKWQOP-NSHDSACASA-N 334.370 2.811 0 50 EFAA CC(=O)N1CCC(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)CC1 931170033 CFXJQFFMIOZTKQ-OAQYLSRUSA-N 343.515 2.840 0 50 EFAA Cc1cc(NC(=O)N2CC[C@@H](CN(C)CC3CC3)C2)cn2ccnc12 931554042 KIMGWRCANPBUFS-INIZCTEOSA-N 341.459 2.838 0 50 EFAA Cc1ccc2nc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)sc2n1 932697963 QXVNGXXEAUSKHO-SECBINFHSA-N 330.417 2.784 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)nn1-c1ccccc1 1875291838 NFSZICZDNHPFKI-GJZGRUSLSA-N 341.411 2.944 0 50 EFAA CC1CCN(C[C@H](C)c2nnc(-c3cccc4c3CNC4=O)o2)CC1 1875283129 HFJSHDDJCMIUAE-ZDUSSCGKSA-N 340.427 2.815 0 50 EFAA COc1cc(C(=O)NC[C@@H](O)CCC2CC2)sc1Br 1875299669 RJIHSXQQFDHTRF-VIFPVBQESA-N 348.262 2.800 0 50 EFAA O=S(=O)(Cc1cccc2nsnc12)N1CC[C@@H]1c1ccccc1 1875288492 HTNBQTUOLOTANJ-OAHLLOKOSA-N 345.449 2.968 0 50 EFAA CN(C)C/C=C/C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 1875374492 SUXAUBNFBBPHEL-NTEUORMPSA-N 337.423 2.585 0 50 EFAA CCOc1ccc(CN(C=O)C[C@H](O)c2cccc(OC)c2)cc1 1875325695 SWOMMTZUEJPQGP-IBGZPJMESA-N 329.396 2.786 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]1CCC[C@@H]1C1CCNCC1 1875393252 BOUWCBVVOQIHGM-GJYPPUQNSA-N 342.487 2.695 0 50 EFAA COc1nn(C)cc1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 883961705 NOCIBTBMHMPMIK-UHFFFAOYSA-N 343.412 2.816 0 50 EFAA Cc1c(Cl)cccc1N1CCN(C(=O)Cc2cncc(O)c2)CC1 890994005 UVGCKMXLMHGLIU-UHFFFAOYSA-N 345.830 2.640 0 50 EFAA OC1(C(F)F)CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1 893272798 FFLJHSVURHWGHT-UHFFFAOYSA-N 329.734 2.986 0 50 EFAA COc1ccc(CNC(=O)N[C@@H]2CCCc3ccccc3C2)nc1 894459388 HXJSYEGAISPTKG-MRXNPFEDSA-N 325.412 2.837 0 50 EFAA CCN(CC)c1ncc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)s1 1775985496 ZFZJCKIOVCPKQV-TZMCWYRMSA-N 335.477 2.674 0 50 EFAA COc1ccc([C@@H](C)NC(=O)N2CC[C@H](n3cccn3)C2)c(OC)c1 1775993286 DDIYJAFWKLADNK-KGLIPLIRSA-N 344.415 2.618 0 50 EFAA CC1(CC(=O)NCc2ncoc2C2CN(C(=O)OC(C)(C)C)C2)CC1 1776005548 GOAGEPBZKCZULX-UHFFFAOYSA-N 349.431 2.815 0 50 EFAA Cc1csc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 252477221 KIFMGBFLKGJSDG-IRXDYDNUSA-N 329.469 2.537 0 50 EFAA O=c1cc(CSc2ccccc2)nc2nc(C(F)(F)F)[nH]n12 2325821335 GCHXBBMNVHACRN-UHFFFAOYSA-N 326.303 2.729 0 50 EFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 450179 ITBIEWSYRIKYRE-MRXNPFEDSA-N 338.407 2.673 0 50 EFAA COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 566645 AMBIPMFDAAJHTM-UHFFFAOYSA-N 339.800 2.708 0 50 EFAA Cc1cc(C(=O)OCC(=O)Nc2nccs2)c2ccccc2n1 2751026 OTLGNMHZBYNART-UHFFFAOYSA-N 327.365 2.795 0 50 EFAA OCCN(CCO)c1nc(-c2ccccc2)nc2c1oc1ccccc12 3680528 OIUJVLUDAAHNMH-UHFFFAOYSA-N 349.390 2.834 0 50 EFAA C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc2ccccc2s1 4488019 CWHKRUCQCQHNFP-LURJTMIESA-N 337.455 2.849 0 50 EFAA O=C(O)CNc1ccccc1C(=O)N1CCCC[C@H]1c1cccnc1 55060687 IJYZMXRESDPFML-KRWDZBQOSA-N 339.395 2.946 0 50 EFAA Cc1ncc(CN2CCN(C(=O)CSc3ccccc3)CC2)s1 110943014 YWVZSOPZIZBJBF-UHFFFAOYSA-N 347.509 2.888 0 50 EFAA Cc1c(NC(=O)[C@H]2CCOC2)cccc1C(=O)Nc1nccs1 55182478 KGYDIUXNILQXAA-NSHDSACASA-N 331.397 2.679 0 50 EFAA Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@]4(CC=CCC4)C3)ccc21 114438302 WQPMXJKRTUUYRA-LJQANCHMSA-N 325.412 2.829 0 50 EFAA O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 101752437 BHQLITXTIDPEKG-XREYTECCSA-N 344.499 2.920 0 50 EFAA CCCCN(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O 65434270 HLPBUARACRKXQX-UHFFFAOYSA-N 325.368 2.730 0 50 EFAA Cc1ccccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccco2)C1 67689130 WJZQVXKZEQAQHE-INIZCTEOSA-N 348.468 2.779 0 50 EFAA Cc1cccc(CN(C)C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)c1C 420879241 PRBRVTIIZDXWEA-WKILWMFISA-N 331.460 2.737 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(Cc3ncccc3C(=O)O)C2)c1 65455375 CLWYVCALDQQQNB-CYBMUJFWSA-N 342.395 2.787 0 50 EFAA Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F 280932393 BYEPSJDKFNZCSY-CQSZACIVSA-N 341.383 2.614 0 50 EFAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccs1 317516353 VGYPUXANZPFVDC-UHFFFAOYSA-N 339.438 2.618 0 50 EFAA COCCC1(C(=O)Nc2cnc3c(Br)cccn23)CC1 353747436 ASSVBXKEKCRUMW-UHFFFAOYSA-N 338.205 2.852 0 50 EFAA CN(C)C1CCN(CCNC(=O)Nc2ccc(C3CC3)c(F)c2)CC1 252491695 LQYCTNGBVINPHP-UHFFFAOYSA-N 348.466 2.851 0 50 EFAA Cc1ccc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 252550168 SDDJYPJEJWYNOV-UHFFFAOYSA-N 331.752 2.640 0 50 EFAA C[C@@H]1CN(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C[C@@H](C)O1 252586383 POAYPBUCCDGHLD-RBSFLKMASA-N 338.473 2.958 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CCO2)o1 328610553 IJYILJUVYGRPGJ-QXSJWSMHSA-N 333.432 2.884 0 50 EFAA Cc1cc(C)c2cc(C(=O)N3CCOC[C@H]3c3nnc(C)o3)[nH]c2c1 328614083 VFXMDOVLGZMSRX-INIZCTEOSA-N 340.383 2.690 0 50 EFAA CCCCc1ccc(-n2cc(CN3CCOC[C@H](CO)C3)cn2)cc1 77344210 JHSMGXVSCZTTJC-IBGZPJMESA-N 343.471 2.656 0 50 EFAA O=C(c1ccc(SCCO)cc1)N1CCC(c2ccncn2)CC1 215860355 VJWKNVKFJFMBKP-UHFFFAOYSA-N 343.452 2.581 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2nccs2)C1 72407596 KRDOMJOXNCDOMU-AWEZNQCLSA-N 346.504 2.642 0 50 EFAA COCC1(C(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)CCC1 72447857 IVORBHVSVFWCEH-HNNXBMFYSA-N 332.444 2.549 0 50 EFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC(=O)NC[C@@H]1CCCO1 332776608 GZVISAOQXYQSMU-RYRKJORJSA-N 346.471 2.763 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCc1csc(N)n1 77377468 UNZOCAJEJVUODX-CQSZACIVSA-N 344.484 2.643 0 50 EFAA CCN(Cc1ccccc1)C(=O)CCN1CCO[C@@H](C(F)(F)F)C1 71523649 JORHHLYCVNMJOO-OAHLLOKOSA-N 344.377 2.688 0 50 EFAA CC(=O)Nc1ccccc1CN1C[C@H](NC(C)=O)Cc2ccccc21 378565968 RAQHCKMNZPVIMK-GOSISDBHSA-N 337.423 2.712 0 50 EFAA COCc1nnc(C(=O)N(C)Cc2ccccc2C(F)(F)F)o1 71747203 MWVIYWOBIVIIGE-UHFFFAOYSA-N 329.278 2.507 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)o1 262261175 WRTIERBINKQJDV-LBPRGKRZSA-N 343.335 2.726 0 50 EFAA CCOc1ccccc1CN1CCCn2nc(CCC(=O)O)cc2C1 72457550 OOCGAEXPKIRLNH-UHFFFAOYSA-N 343.427 2.705 0 50 EFAA C[C@@H](c1ccco1)N(C(=O)c1cc(N2CCOCC2)ccn1)C1CC1 130028015 IZYAZNHEYYRVRX-AWEZNQCLSA-N 341.411 2.877 0 50 EFAA CC[C@H]1CN(Cc2nc[nH]c2C)CCC(=O)N1Cc1ccccc1 71768012 PGLMFKHMAIWBIR-KRWDZBQOSA-N 326.444 2.731 0 50 EFAA Cc1c(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cnn1C 72408279 JGVCWNKPILFKRY-UHFFFAOYSA-N 328.504 2.815 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3CN)cc2F)n1 131200438 IZBIQLGLMYSLSB-HNNXBMFYSA-N 330.407 2.582 0 50 EFAA CCOC(=O)N[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)CC(C)C 241287499 LLXXMPAKRBWCBL-WCVJEAGWSA-N 341.496 2.525 0 50 EFAA COC(=O)c1cncnc1NCc1ccc(N2CCCCCC2)nc1 241897360 TYBKKVOIDMJBFJ-UHFFFAOYSA-N 341.415 2.651 0 50 EFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 222348918 XDCFLGBLKXEPIJ-HOTGVXAUSA-N 336.863 2.597 0 50 EFAA O=C(Cc1cn2ccsc2n1)N1CCCC[C@H]1CCn1cccn1 82121503 QGSMYRJBYZMSQQ-HNNXBMFYSA-N 343.456 2.606 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)n1 426563419 SFODGUKDSJHPNV-OAHLLOKOSA-N 338.411 2.829 0 50 EFAA c1ccc(-c2nc(CCN[C@@H]3CCOC4(CCOCC4)C3)no2)cc1 82138278 QGXXGTWTRIJKCK-MRXNPFEDSA-N 343.427 2.597 0 50 EFAA Cc1nnc(CCNC(=O)c2csc(Cc3ccccc3)n2)s1 82083628 UTAKTBKJNRZGNI-UHFFFAOYSA-N 344.465 2.866 0 50 EFAA C[C@H]1CCCN(c2cc(C(=O)N3CC[C@@H](n4cccn4)C3)ccn2)C1 291315063 UESNDWXIWUJYFS-DOTOQJQBSA-N 339.443 2.602 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cccc(O)c3Cl)C2)n1 426667359 JGKHFHHLYMVMMM-GFCCVEGCSA-N 349.818 2.706 0 50 EFAA CCc1nc(CN(C)C(=O)NCCc2c(C)[nH]c3ccccc23)no1 426404420 XMDULCFZMPVKRE-UHFFFAOYSA-N 341.415 2.806 0 50 EFAA CSc1ccc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 82125517 UIRODIDCMCCBMK-KRWDZBQOSA-N 348.512 2.664 0 50 EFAA O=C1CCC2(CCN(C[C@H]3CCOc4ccccc4C3)CC2)CN1 95517105 JSEXHLYMHRMPCT-INIZCTEOSA-N 328.456 2.620 0 50 EFAA CO[C@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 95366032 APZBXQAEZAJVQY-SFHVURJKSA-N 342.439 2.897 0 50 EFAA Cc1ccc([C@@H](Cn2cc(-c3cnn(C(C)C)c3)nn2)N(C)C)o1 91754747 RNSGONBHBYFYLS-MRXNPFEDSA-N 328.420 2.927 0 50 EFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)CC1CCN(C(C)C)CC1 95368408 CXWDMEGCLFFKCV-LJQANCHMSA-N 348.487 2.785 0 50 EFAA Cn1cnc2cc(C(=O)NC[C@@H]3CCOc4ccccc4C3)ccc21 96149714 IWAAGWVVERYJSH-CQSZACIVSA-N 335.407 2.945 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)N2CCOCC2)C1 91288644 LSNSEGYTPYOBOT-LJQANCHMSA-N 346.427 2.512 0 50 EFAA CCc1c(C)sc2ncnc(C[C@H]3CC(=O)N(CCOC)C3)c12 244678404 ICBZPRSCGYSBCF-LBPRGKRZSA-N 333.457 2.600 0 50 EFAA COC(=O)[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H]3CC[C@@H]5[C@]1(O)[C@@H]4[C@H]1C[C@H]2[C@H]2CCC[C@H]21 247820092 HPYCVFNRVRVSLX-DDGYAMFZSA-N 328.452 2.865 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244741966 NZTISSJYEJVHMM-ZHALLVOQSA-N 349.434 2.535 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244700943 JWWKZIJRCQCSCL-GQIGUUNPSA-N 339.391 2.586 0 50 EFAA Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1C 244716083 LHXUIDYZMAKLRH-QGZVFWFLSA-N 343.471 2.576 0 50 EFAA COc1cnc2ccccc2c1C(=O)N1CC[C@H](O)CC(C)(C)C1 297076252 VRPHJWROXSNHAK-ZDUSSCGKSA-N 328.412 2.867 0 50 EFAA Cc1ccc(NC(=O)CCN(C)[C@@H](C)Cc2cnccn2)c(C)c1 252500123 SNJLRFYZWZHTBW-INIZCTEOSA-N 326.444 2.985 0 50 EFAA Cc1cnn(CCCNC(=O)N2CCC(c3cccc(O)c3)CC2)c1 534654481 FPKMODYWGMNUNQ-UHFFFAOYSA-N 342.443 2.876 0 50 EFAA Cc1ccc2c(C)c(C(=O)NCC3CCS(=O)(=O)CC3)oc2c1 299792372 FNBFPAIKQDHCPG-UHFFFAOYSA-N 335.425 2.604 0 50 EFAA Cc1cccc([C@H](NC(=O)COCC(F)(F)C(F)F)C2CC2)n1 299764986 XFUFKEYBJLSGCM-CYBMUJFWSA-N 334.313 2.874 0 50 EFAA CC(C)c1nnc([C@H](C)NC(=O)CCc2cn3ccccc3n2)o1 299787053 SSOPXGJTCPVBJP-LBPRGKRZSA-N 327.388 2.651 0 50 EFAA NCCOc1cccc(CC(=O)NCCc2cccc(Cl)c2)c1 299785251 YLMCNLWDJNHBEN-UHFFFAOYSA-N 332.831 2.579 0 50 EFAA COc1cccc(C(=O)NCCC(=O)N[C@H](C)C2=CCCCC2)c1 824767762 ONFUYFNPIONLPH-CQSZACIVSA-N 330.428 2.820 0 50 EFAA CCn1nc(COc2ccccc2OC)nc1C[C@H]1CCCCN1C 824827618 QUBNGFBYDXPZIZ-OAHLLOKOSA-N 344.459 2.912 0 50 EFAA CCOC(=O)Nc1ccc(C(=O)Nc2n[nH]c(CC)n2)c(Cl)c1 1417687466 RAKZSNPXWYYXTJ-UHFFFAOYSA-N 337.767 2.841 0 50 EFAA COc1ncc(C(F)(F)F)c(I)c1OC 66054300 ZFISGSRXCHTAGD-UHFFFAOYSA-N 333.047 2.722 0 50 EFAA in-vitro O=C(NO[C@@H]1CCCCO1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 164985318 BSDQRSPCFBYXBX-ZNMIVQPWSA-N 340.807 2.927 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C1 165520913 MVNGIIZTPGFKGZ-GFCCVEGCSA-N 348.399 2.810 0 50 EFAA COC(=O)[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3OC[C@@H]2C)C1 272894669 FIDKFAJTQZIGHV-SOUVJXGZSA-N 331.412 2.776 0 50 EFAA CCNc1ncc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)s1 186156201 MFSQIKLMNUSQBH-UHFFFAOYSA-N 331.401 2.805 0 50 EFAA O=C(NCc1ccoc1)N1CCC(O)(c2c(F)cccc2F)CC1 186526865 XYXKUMPVTJLGEQ-UHFFFAOYSA-N 336.338 2.751 0 50 EFAA CCCc1[nH]ncc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[nH]2)c1 170606612 CITRVVMADSPBEU-UHFFFAOYSA-N 338.367 2.640 0 50 EFAA O=C(NCCCCn1cc(Br)cn1)[C@@H]1CC=CCC1 279360671 IVIRNUNPWSLOOC-GFCCVEGCSA-N 326.238 2.898 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 189491783 MPESGMNVNHVNMT-ZDUSSCGKSA-N 338.415 2.596 0 50 EFAA C[C@@H]1CCN(C(=O)NCc2cccnc2OCC(F)F)CCS1 192266218 MYSXTKSHBXMECF-LLVKDONJSA-N 345.415 2.763 0 50 EFAA C[S@@](=O)CCCNC(=O)c1ccc(Cl)cc1Br 195539692 ZFZYFHMADKYZMX-QGZVFWFLSA-N 338.654 2.601 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1 1615937309 CDBNSXNNSSRIJM-PMACEKPBSA-N 342.483 2.820 0 50 EFAA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)N(C)C1=S 460493 CJSLREQMXWNQFW-WDZFZDKYSA-N 340.832 2.777 0 50 EFAA COc1ccccc1Cc1nc(-c2cc(C)on2)n([C@H]2CCOC2)n1 1772808991 HZXKDIZIDQYOFE-AWEZNQCLSA-N 340.383 2.802 0 50 EFAA CCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 11762261 MFXGAUGCXVGWQV-LJQANCHMSA-N 343.515 2.841 0 50 EFAA CN1c2cc(C(=O)NCc3cccs3)ccc2C(=O)N2CCC[C@H]21 169765929 UPXWJRISKCVFAJ-INIZCTEOSA-N 341.436 2.690 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1 1857740196 CUIUPZBCAMKQNT-KDOFPFPSSA-N 349.394 2.924 0 50 EFAA CC1(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 408460519 OUWZGVAKJBUTRQ-OLZOCXBDSA-N 349.374 2.695 0 50 EFAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C(C)(C)C(F)F 408515307 UVXVTNQUUNLGHE-TZMCWYRMSA-N 325.403 2.700 0 50 EFAA Cn1cncc1CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225499777 MJSUDDBXPOMIFH-CABCVRRESA-N 325.334 2.747 0 50 EFAA Cc1ccc(OC2CCN(C(=O)NCc3cnn(C)c3C)CC2)cc1 121906872 LSFYHILQZQCVKD-UHFFFAOYSA-N 342.443 2.790 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2CCO[C@H](C(=O)O)C2)cc1 237675342 ZBAMMNGMCJYXFL-AWEZNQCLSA-N 331.393 2.649 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)O)s1 817868365 VFRKHOXXFRCDSX-QWHCGFSZSA-N 331.393 2.875 0 50 EFAA C[C@H]1Cc2cc(CNC(=O)c3ccccc3CCC(=O)O)ccc2O1 910993031 OCBFYLIYJDJWJC-ZDUSSCGKSA-N 339.391 2.957 0 50 EFAA CCCc1noc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)n1 818024933 VQJBEIKABYCNHS-VQIMIIECSA-N 345.443 2.903 0 50 EFAA CN(Cc1csc(C(C)(C)O)n1)C(=O)[C@H]1CCc2ccccc2O1 839788909 QPJPPBIRLQZNHQ-OAHLLOKOSA-N 346.452 2.723 0 50 EFAA CC(C)[C@H]1N(C(=O)C[C@@H]2SC(=N)NC2=O)CC12CCCCCC2 827994573 SENHQASLOYRJQN-GXTWGEPZSA-N 337.489 2.750 0 50 EFAA O=C(NC[C@]12CCC[C@H]1OCC2)c1cccnc1OCC(F)(F)F 830798752 PJUYPUVSXMPXBM-IUODEOHRSA-N 344.333 2.712 0 50 EFAA CC(C)(C)CC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 1875296396 UPEIIMLZXGAODW-GFCCVEGCSA-N 343.427 2.505 0 50 EFAA O=C1CC[C@@H](c2ccc(-c3cccc4c3OC[C@@H](C(=O)O)C4)cc2)N1 1875281370 NOROIBPRATWINQ-RDJZCZTQSA-N 337.375 2.940 0 50 EFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 1875334195 CWFZPRXWVSNEFZ-KRWDZBQOSA-N 330.815 2.704 0 50 EFAA Cc1cc([C@@](C)(O)CNC(=O)c2coc3cc(O)ccc23)c(C)o1 877871650 VCPUYPDTSPYNKL-SFHVURJKSA-N 329.352 2.986 0 50 EFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cc(Br)cs1 263239933 RMEWBSNEOFNQDO-JGVFFNPUSA-N 332.219 2.836 0 50 EFAA CN1CCc2nc(C(=O)N(C)Cc3ccc4cc[nH]c4c3)sc2C1 2325822387 UUIOZRDBCIGORU-UHFFFAOYSA-N 340.452 2.885 0 50 EFAA COc1cncc(CNCc2cn3cccc(Br)c3n2)c1 2325856399 ODZRZFGKQKYEHO-UHFFFAOYSA-N 347.216 2.790 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C[C@@H]2CCc3ccccc3C2)C1 952852735 KBZUZCHVLURMCW-ZTFGCOKTSA-N 327.428 2.945 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)cc1 242495 KHONSCLLVRIQDL-KRWDZBQOSA-N 335.363 2.940 0 50 EFAA COc1cc(OC)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1 350361 DDCXDFCSGZSAMR-UHFFFAOYSA-N 332.444 2.794 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 449870 DJRDTXMJCCWIFE-OAHLLOKOSA-N 328.387 2.942 0 50 EFAA COc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)cc1 2765114 MOCCXTPJFYESMV-UHFFFAOYSA-N 328.412 2.518 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(O)c(C(C)C)c1 134111713 YQUOGEVMGPLILI-CQSZACIVSA-N 332.444 2.990 0 50 EFAA C[C@@H](CCN1CCC(n2cc(CCO)nn2)CC1)c1ccccc1 55073059 QFOKJUWNFGNLOY-INIZCTEOSA-N 328.460 2.644 0 50 EFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1 134573558 VBPUWNIUZZVUOZ-BONVTDFDSA-N 344.440 2.808 0 50 EFAA Cc1ccc(O)c(CN2CCN(c3ccnc4ccccc34)CC2)n1 67847445 ILGXIPQXJMWMFA-UHFFFAOYSA-N 334.423 2.966 0 50 EFAA COc1ccc(Cn2cc(C(=O)N(C)c3ccc(C)cn3)cn2)cc1 346135100 GVIWUEYJGWHMPA-UHFFFAOYSA-N 336.395 2.920 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348235654 BEGRXPCJHHHTBO-PBHICJAKSA-N 337.354 2.717 0 50 EFAA CCCc1[nH]ccc1C(=O)N(CCOC)Cc1c(C)nn(C)c1C 421904548 ZIXPLZYLSVAQFB-UHFFFAOYSA-N 332.448 2.606 0 50 EFAA Cc1nc(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)nn1-c1ccccc1 252477485 OTFWQULCYYYQOH-BZUAXINKSA-N 341.411 2.936 0 50 EFAA COc1cc(CNc2ccc(OC(C)C)nn2)c2c(c1)C[C@@H](C)O2 357693708 BIPNVRBHSSEDNP-GFCCVEGCSA-N 329.400 3.208 0 50 EFAA CN1CCC[C@@H](CNc2cn[nH]c(=O)c2Cl)[C@H]1c1cccs1 252674424 SBULSMMHMKEHOL-HZMBPMFUSA-N 338.864 2.980 0 50 EFAA CN1CCN(c2ccc(C(=O)N(C)C3Cc4ccccc4C3)cc2)CC1 65505221 SBOMNUHEQFIJCB-UHFFFAOYSA-N 349.478 2.678 0 50 EFAA COc1ccc(-c2[nH]ncc2CN[C@H](C)CCn2cccn2)c(F)c1 12300289 FKNFFRKIXCEALE-CYBMUJFWSA-N 343.406 2.989 0 50 EFAA O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccco1)NCc1ccco1 229880726 KGDYCCVFFBRLMA-DOTOQJQBSA-N 346.427 2.857 0 50 EFAA CCc1nc(N[C@@H](C)COc2ccccc2OC)c2cnn(C)c2n1 72151235 YZNXDCZKGCEACK-LBPRGKRZSA-N 341.415 2.814 0 50 EFAA O=C(NC[C@]1(CCO)CCOC1)[C@H](F)c1ccc(C(F)(F)F)cc1 253393265 XRAJQQMFIDPOPY-HIFRSBDPSA-N 349.324 2.621 0 50 EFAA COC(=O)Cc1ccccc1C(=O)N[C@@H]1CCCc2c(O)cccc21 253408155 XNINNZUCBVZOGX-QGZVFWFLSA-N 339.391 2.915 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3cnn(C)c3)CC2)n1 329700062 ZMFDVIUECKUQAO-OAHLLOKOSA-N 329.448 2.591 0 50 EFAA COc1cc(C(=O)N2CC[C@H](O)C2(C)C)sc1Br 361159971 RZCSWHZWQRRYNQ-VIFPVBQESA-N 334.235 2.505 0 50 EFAA Cn1cc(C(=O)N(Cc2cccnc2)Cc2ccsc2)ccc1=O 215309977 UUOXFNGQSJRNEG-UHFFFAOYSA-N 339.420 2.684 0 50 EFAA CC(=O)N1CCc2cc(NC(=O)N3C[C@@H](C)O[C@H](C4CC4)C3)ccc21 328588784 PSAITFMWOAZNSM-XIKOKIGWSA-N 343.427 2.627 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc3nccn3c2)c2ccccc2N(C)C1=O 365573722 SGVKOHVEQNTFBO-CYBMUJFWSA-N 334.379 2.594 0 50 EFAA Cn1cnc2cc(C(=O)N3CCC(C4CCOCC4)CC3)ccc21 155591269 KDIMYMOLAAFPDC-UHFFFAOYSA-N 327.428 2.852 0 50 EFAA Cc1noc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)n1 329055098 SGZHZLOVEHRBKG-DZGCQCFKSA-N 328.416 2.811 0 50 EFAA O=C(c1ccc(Br)cn1)N1CCC[C@H]1[C@H]1CCCO1 367053209 DVOUKKJOAFUYSI-QWHCGFSZSA-N 325.206 2.628 0 50 EFAA O=C([C@H]1CCCN(C2CCN(Cc3ccoc3)CC2)C1)N1CCCC1 71523698 ISXAGPFIEXUDJP-SFHVURJKSA-N 345.487 2.578 0 50 EFAA CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 282913960 XJJXCJXIEMWQEO-MJGOQNOKSA-N 349.434 2.906 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NCc2cnn3ccccc23)cc1 72418723 WEEFHILKYXKACF-UHFFFAOYSA-N 337.423 2.968 0 50 EFAA O=C1CCCCN1[C@H]1CCCN(Cc2cc3ccccc3nc2O)C1 370900188 RDRMOZANINEPLU-KRWDZBQOSA-N 339.439 2.917 0 50 EFAA Cc1cc2c(cc1C)[C@H](N(C(=O)c1cnnn1C)C1CC1)CCO2 377063726 YUURBSWXTFNSKU-OAHLLOKOSA-N 326.400 2.560 0 50 EFAA Cc1ccc2nc(SCC(=O)N[C@H](C)c3cnn(C)c3)[nH]c2c1 216008279 IGSPTECSVWRIRZ-LLVKDONJSA-N 329.429 2.574 0 50 EFAA CC(C)c1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1F 241588319 PBXWEFUEVSSDTL-IRXDYDNUSA-N 335.423 2.886 0 50 EFAA Cc1ccccc1Cc1noc(CN2CC[C@@]3(CCCOC3)C2)n1 375283894 GQZGUXOPGACGAW-IBGZPJMESA-N 327.428 2.971 0 50 EFAA COc1ccc2c(c1NC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)CCC2 241846624 SMIJBHLIWMDSRP-AWEZNQCLSA-N 345.443 2.516 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1 175823989 DBRJNHRBKUQHOS-HSZRJFAPSA-N 332.429 2.559 0 50 EFAA O=C(O)CC1(NC(=O)[C@H](O)c2ccccc2Cl)CCCCC1 219765638 DQQQSCMAXUVSCA-CQSZACIVSA-N 325.792 2.667 0 50 EFAA CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1(C)C 130109828 PHTAZZSCNFOSKW-DLBZAZTESA-N 325.412 2.740 0 50 EFAA CSCc1ccc(N2CCN(Cc3ncccc3C)CC2)nc1 82109734 FZQUJZPGCPWSQR-UHFFFAOYSA-N 328.485 2.970 0 50 EFAA O=C(CCN1CCCCC1)NCc1cc(-c2ccccc2F)no1 222338921 KGCMGMXBINTQDD-UHFFFAOYSA-N 331.391 2.973 0 50 EFAA Cn1cc([C@@H](NC(=O)CCc2ccc(Cl)cc2)C2CC(O)C2)cn1 222575443 XIFNXBJHBHZDCH-AUCFXJAVSA-N 347.846 2.635 0 50 EFAA O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OC(F)F)c1 82119963 YWGGYFLJLOAJQG-ZDUSSCGKSA-N 346.333 2.823 0 50 EFAA CCN(CCn1cccn1)C(=O)c1cccc(-c2ccc(C)nn2)c1 426530914 QQTOLSJJJABYAR-UHFFFAOYSA-N 335.411 2.811 0 50 EFAA O=C(O)c1cccc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 95517369 HWPFLVJOBGJZIP-AWEZNQCLSA-N 326.400 2.770 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2csc(N3CCCC3)n2)on1 91486667 HFQJBHAKMRKVHR-UHFFFAOYSA-N 334.445 2.860 0 50 EFAA CCCC[C@@H](CC(=O)O)NC(=O)N(C)Cc1nc2ccccc2[nH]1 426477899 KMGRJEPLVBPBEG-LBPRGKRZSA-N 332.404 2.738 0 50 EFAA CNC(=O)COc1ccccc1C[C@@H]1COc2c(cccc2OC)C1 95370929 RZJCPAGZIOHRNI-AWEZNQCLSA-N 341.407 2.614 0 50 EFAA COCCN(Cc1ccccn1)C(=O)[C@H](c1cccc(C)c1)N(C)C 91645240 KLIYOUQSZBPGQJ-IBGZPJMESA-N 341.455 2.668 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)c1cc2ncccn2n1 97505243 FYDGDJVGKDALSG-UHFFFAOYSA-N 336.273 2.558 0 50 EFAA CCN1CC2(CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)CC1=O 95518958 KQVUGWPZWLNFSR-SFHVURJKSA-N 340.467 2.653 0 50 EFAA O=C(O)c1ccccc1CN1CC[C@H](Cc2cccc(CO)c2)C1 91657027 VGBUXYVUXXNCHF-MRXNPFEDSA-N 325.408 2.942 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1 95375001 JOTXLPNPZJWNQY-CYBMUJFWSA-N 337.374 2.868 0 50 EFAA Cc1cc2nc(CCNC(=O)CN(C)C3CCCC3)[nH]c2cc1C 244659842 HJUXNBKXZAAGKK-UHFFFAOYSA-N 328.460 2.713 0 50 EFAA COC(=O)c1coc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 184077114 VUVNRSWAUBYZLZ-OAHLLOKOSA-N 340.379 2.691 0 50 EFAA CCc1nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2[nH]1 534648597 IKKZMJBIZRFDEL-UHFFFAOYSA-N 336.395 2.660 0 50 EFAA CCn1cc(CN(CCOC)C(=O)NCC2C(C)(C)C2(C)C)cn1 534664732 IMRGYNIENKJLPT-UHFFFAOYSA-N 336.480 2.743 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1scc2c1OCCO2 299783275 ZVIMZPWJLITYOW-UHFFFAOYSA-N 349.412 2.880 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)nc2c1 299787739 XNJTUMRXIGHBST-OAHLLOKOSA-N 341.411 2.525 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 299760628 IPARLGBUULYEKL-OAHLLOKOSA-N 345.418 2.902 0 50 EFAA Cc1cnn(CC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 299792918 GSEOEMKTRAQGEK-MRXNPFEDSA-N 341.390 2.961 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 299760626 IPARLGBUULYEKL-HNNXBMFYSA-N 345.418 2.902 0 50 EFAA CC(C)n1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)n1 828925472 YAMHGCZXUQDCJE-INIZCTEOSA-N 342.443 2.564 0 50 EFAA O=C(CCn1cncn1)NCC[C@H](c1ccc(F)cc1)c1ccco1 670460379 NACRGFHSWRZAOD-MRXNPFEDSA-N 342.374 2.739 0 50 EFAA O=C(NCc1nnc2ccccn12)c1ccc([C@H]2CCCO2)s1 952976768 YAOCOFQOTJPWAJ-LLVKDONJSA-N 328.397 2.572 0 50 EFAA Cc1cc2cc(CNC(=O)[C@H](O)COc3ccccc3C)ccc2[nH]1 952975918 ZMPOFHZKVLSKKZ-GOSISDBHSA-N 338.407 2.841 0 50 EFAA Cc1nccc(N2CCCN(C(=O)c3cc4ccccc4o3)CC2)n1 1057139630 OQAPXKGMWZLOOM-UHFFFAOYSA-N 336.395 2.884 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 275719684 OQEATTDHBIKNQT-HNNXBMFYSA-N 344.484 2.906 0 50 EFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 277596162 AKMIUWBIEHJSPU-RDJZCZTQSA-N 341.411 2.651 0 50 EFAA O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)CC(F)(F)F 189338319 OTVITRCRMJTFAN-JTQLQIEISA-N 331.315 2.662 0 50 EFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCO[C@@H](C)C2)c1 171312721 CZGJNHJKWVPHLY-GJZGRUSLSA-N 347.459 2.992 0 50 EFAA COc1cccc([C@@H](C(=O)O)N(C)C[C@H]2COc3ccccc3O2)c1 634690314 IOWUGYAMPBEHPK-YJBOKZPZSA-N 343.379 2.593 0 50 EFAA O=S(=O)(N[C@H]1CCOC1)c1cc(Cl)ccc1OCCC1CC1 187551098 GSIRMKYDNILFQH-ZDUSSCGKSA-N 345.848 2.586 0 50 EFAA CN(C)c1ncc(NC(=O)N2CCc3cc(Cl)ccc3C2)cn1 192359871 CPCWETKLRIJSPP-UHFFFAOYSA-N 331.807 2.786 0 50 EFAA Cc1cccn2cc(CC(=O)N3CC[C@@H](C(=O)O)c4ccccc43)nc12 669434910 MWYHMQGIGGVQNH-MRXNPFEDSA-N 349.390 2.790 0 50 EFAA Cc1cccc2c(CN3C[C@H](Cc4cnccn4)[C@@H](O)C3)cccc12 1616079443 UKWLWABYZPPFTC-UWJYYQICSA-N 333.435 2.974 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)c1cc(O)nc2cc(F)ccc12 1506427113 KVORLXQMQIWUQM-UHFFFAOYSA-N 342.374 2.958 0 50 EFAA Cc1ncc(CN(CC(=O)O)C(=O)[C@H](c2ccccc2)C(C)C)[nH]1 1772703590 HCESDNSEGJCUOE-KRWDZBQOSA-N 329.400 2.571 0 50 EFAA COCC[C@@H](C)N1CCCN(C(=O)c2ccc(C)c(OC)c2)CC1 1772819826 UXRDHIJBTFXBAI-MRXNPFEDSA-N 334.460 2.577 0 50 EFAA Cc1ccc(S(=O)(=O)NCCCc2nc3ccccc3[nH]2)cc1 5235889 SUENDBXNACQNPF-UHFFFAOYSA-N 329.425 2.782 0 50 EFAA CCC(CC)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 14992904 DSLVLFWZCLPLMQ-MRXNPFEDSA-N 325.412 3.000 0 50 EFAA COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(Cc4cccnc4)C3)n2)cc1 19146931 MRUGGAJTDBYXAH-MRXNPFEDSA-N 348.406 2.996 0 50 EFAA O=C(NCCN1CCOCC1)N(c1ccccc1)c1ccccc1 19909044 BFUOVVVAKHWCKV-UHFFFAOYSA-N 325.412 2.867 0 50 EFAA CC(=O)c1cn(CCC(=O)N[C@H](CC(C)C)C(=O)O)c2ccccc12 206412963 DLRUNVXFGVLQAI-MRXNPFEDSA-N 344.411 2.850 0 50 EFAA Cc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1 6477820 NBBHKCSTGYSDRQ-XNTDXEJSSA-N 337.379 2.813 0 50 EFAA Cc1ccc2ncccc2c1-c1nccn1CCN1CCN(C)C1=O 1857671829 SAGAPKBEQMSMJK-UHFFFAOYSA-N 335.411 2.774 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)N1CCCc2cc(Cl)ccc21 253417850 OQVIOBKUWMBFJQ-UHFFFAOYSA-N 325.821 2.523 0 50 EFAA CCC(=O)N1CC[C@@H](C(=O)N[C@H](c2ccccc2)c2ccco2)C1 122971424 IJCDQBANYQXVRH-CRAIPNDOSA-N 326.396 2.744 0 50 EFAA O=C(NCCCC(=O)N1CCc2c(Cl)cccc21)c1cccnc1 126667298 AJXGJMSBKYDIEJ-UHFFFAOYSA-N 343.814 2.834 0 50 EFAA N[C@@H]1CCC[C@@H]1C(=O)NCC1(c2ccccc2Cl)CCOCC1 237916543 IALRNKYUHUWEAX-XJKSGUPXSA-N 336.863 2.632 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3cc(CC(C)C)[nH]n3)C2)C1 12446582 UWFRRLUUFNHIRH-IBGZPJMESA-N 334.508 2.543 0 50 EFAA CCCc1ncc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)o1 456504039 OHMLDAZCNSNXTM-UHFFFAOYSA-N 345.790 2.791 0 50 EFAA COc1cccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)c1 16648100 WDEZWTRVJXFDIG-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA CC(=O)N1CC[C@@H](NC(=O)CCc2c(C)n[nH]c2C)c2ccccc21 366932587 JVNBQKQFYWTTCR-QGZVFWFLSA-N 340.427 2.573 0 50 EFAA O=C(O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 262419863 CLMNSPQNYBXGNR-CABCVRRESA-N 339.347 2.898 0 50 EFAA C[C@]1(C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCCOC1 263130966 WADRLSKGNRLWNJ-FQEVSTJZSA-N 345.439 2.983 0 50 EFAA Cc1ccnc([C@@H]2CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)c1 496809211 GYHOMBOOLMPTFF-GDBMZVCRSA-N 345.443 2.715 0 50 EFAA CN(Cc1ccns1)C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 912337456 FKKUWRWFIBJPPF-LBPRGKRZSA-N 330.331 2.854 0 50 EFAA CNC(=O)c1n[nH]c(C2CCN([C@H](C)c3ccccc3Cl)CC2)n1 818243926 ZHPWOUOICCLQLF-LLVKDONJSA-N 347.850 2.758 0 50 EFAA Cc1cn2cc(NC(=O)N[C@@H](c3cnn(C)c3)C(C)C)ccc2n1 930139754 QBKSCYOSCWWQRL-MRXNPFEDSA-N 326.404 2.895 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)NC2CC(F)(F)C2)n1 935646918 PKPYKZYZCQJAAR-UHFFFAOYSA-N 334.164 2.890 0 50 EFAA O=C(O)c1nnn(C2CCN(C[C@@H]3CC=CCC3)CC2)c1C(F)F 864361872 TWVNNWILXGWRGH-LLVKDONJSA-N 340.374 2.907 0 50 EFAA Cc1noc(C)c1C[C@H](C)NCc1nn(C)cc1Br 1875284891 SRBHOWJWCKKUHT-QMMMGPOBSA-N 327.226 2.508 0 50 EFAA Cc1cc(CN=c2ccn([C@H]3CC3(F)F)[nH]2)nc(N2CCCCC2)n1 1875284142 OEOIJIQAUGMVPB-AWEZNQCLSA-N 348.401 2.586 0 50 EFAA COc1ccc(F)c(CN2C[C@@H]3CCCC[C@]3(C(=O)O)C2)c1OC 1875283065 DNVWJFIAQCKCCQ-SGTLLEGYSA-N 337.391 2.920 0 50 EFAA N[C@H](C(=O)NCc1ccc(-c2nccs2)cc1)C1CC(F)(F)C1 1875315640 BYCDQXAATDSLHS-ZDUSSCGKSA-N 337.395 2.799 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cccc(-c2cccnc2)c1 1875400362 XLSIYPYJGZOKJW-IOMROCGXSA-N 348.450 2.874 0 50 EFAA COc1cccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)c1F 886052285 WGMHOQYJAPNPHI-JSGCOSHPSA-N 348.340 2.866 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(CCc3cccc(Cl)c3)C2)n1 888076192 HGLYYRXBSAQSOO-QGZVFWFLSA-N 335.835 2.644 0 50 EFAA COc1nn(C)cc1CNC(=O)C1(c2cccc(F)c2)CCCC1 890041196 DVNNDVYUFXCEGM-UHFFFAOYSA-N 331.391 2.696 0 50 EFAA CCc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2nc3cccnc3[nH]2)cc1 1775987316 ACHUSQGIOCJIGV-JKSUJKDBSA-N 334.423 2.983 0 50 EFAA C[C@@H]1CN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20726021 FBOZRYQGULRQCH-GMGOFACGSA-N 337.504 2.690 0 50 EFAA CN(C(=O)[C@H]1CC=CCO1)c1nc2cc(Br)ccc2o1 2325767734 NSBMIHGZLPTEAJ-GFCCVEGCSA-N 337.173 2.898 0 50 EFAA O=C(N1CCN(c2ccc(F)cc2)CC1)C(Cl)(Cl)Cl 441516 WCJXUBHXKKSBAV-UHFFFAOYSA-N 325.598 2.845 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 4511638 OQYICHNQRLBCRN-UHFFFAOYSA-N 335.367 2.786 0 50 EFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)CC(=O)N1 4520728 UBSJLIVECGMYLU-GXTWGEPZSA-N 349.814 2.940 0 50 EFAA COc1cc(CN2CCC(N3CCCC3)CC2)cc(OC)c1OC 4745756 PMLFZOLDPVOCIM-UHFFFAOYSA-N 334.460 2.773 0 50 EFAA Cc1ccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 6699659 SJZTVCBTIWNWCM-UHFFFAOYSA-N 338.407 2.649 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6742434 ZYTSDKBXFBEUHB-UWVGGRQHSA-N 325.386 2.754 0 50 EFAA CC(C)(CNC(=O)c1cc(F)c(F)c(F)c1F)C1(O)CCOCC1 416313668 XGYOJMXHNPYWCQ-UHFFFAOYSA-N 349.324 2.541 0 50 EFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@@H]1CCC[C@H](O)C1 1074581486 PIFDBRIRIGOLGG-ZBFHGGJFSA-N 330.453 2.901 0 50 EFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1 54225120 ANCSDBFLLVNGKG-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 346050643 XRYTYOMKWSBUHM-IRXDYDNUSA-N 336.395 2.769 0 50 EFAA CCCc1nc(CN(CC)C(=O)[C@@H](N)c2ccccc2Cl)no1 55036805 WNVFUGSWJYFZGV-HNNXBMFYSA-N 336.823 2.724 0 50 EFAA CN1CCC[C@@H](c2nc(Cc3ccccc3OC(F)F)no2)C1=O 351168858 PSOYIIRXTBKUFM-NSHDSACASA-N 337.326 2.598 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 249268099 JOFJEAVITDKCOJ-HFTRVMKXSA-N 337.485 2.778 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(O)c3)cnn2c1 67514648 JTHAHAMMDVHXGF-UHFFFAOYSA-N 339.399 2.529 0 50 EFAA Cc1c[nH]c(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)n1 72419960 OKGAGAGPMNZSKE-UHFFFAOYSA-N 325.420 2.689 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCCC2(CCNCC2)CC1 67587539 MSANNKSHLOMVJD-UHFFFAOYSA-N 340.471 2.878 0 50 EFAA O=C(Cc1cccc(F)c1F)NC[C@@H]1CCN(Cc2ccco2)C1 67458223 ZXSKSDGSPLQMEL-ZDUSSCGKSA-N 334.366 2.739 0 50 EFAA COCCN(Cc1sccc1C)C(=O)c1c(C)cc(C)[nH]c1=O 65394101 IWSLATFFFGVIGV-UHFFFAOYSA-N 334.441 2.650 0 50 EFAA Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc21 2357003038 QDLIHXNMTGWVGE-UHFFFAOYSA-N 330.775 2.682 0 50 EFAA CCc1c(NC(=O)[C@@H]2CCNCC2(F)F)cnn1-c1cccc(C)c1 423910916 HPBLAOGLEPYATQ-AWEZNQCLSA-N 348.397 2.926 0 50 EFAA COc1ccc([C@H](OC)[C@H](C)Nc2nc(C)nc3c2cnn3C)cc1 357268857 MLIAGRIMCXRWPN-MEDUHNTESA-N 341.415 2.868 0 50 EFAA CCCCO[C@H](C)C(=O)NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 252511761 KJMFFHXTJJJRJD-KYJSFNMBSA-N 332.444 2.527 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(C3CC3)no2)c1 282443999 JQXRRGYYDCFOIV-BBRMVZONSA-N 328.368 2.509 0 50 EFAA O=C(c1c(O)cccc1F)N1CCC(OC[C@@H]2CCCCO2)CC1 128534527 MTEPHGNVKOSQLA-AWEZNQCLSA-N 337.391 2.722 0 50 EFAA CCOC(=O)c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1 1430081 NJSGUQXJEIBQDG-UHFFFAOYSA-N 339.273 2.924 0 50 EFAA CC(C)(CO)[C@@H](CNc1cc(=O)n2ccccc2n1)c1ccccc1 120774106 JJDPQTUFRHACEN-INIZCTEOSA-N 337.423 2.909 0 50 EFAA Cc1nc[nH]c1C(=O)N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 77423415 NHCXQROLLFEINQ-LJQANCHMSA-N 344.459 2.506 0 50 EFAA CC(C)Oc1ccc2ccccc2c1CN1CCOC[C@@H]1C(=O)O 215367700 OGPWLYICEXRDGU-QGZVFWFLSA-N 329.396 2.912 0 50 EFAA O=C1CC[C@@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCO 77438814 YCCKORRBRLTUCL-GOSISDBHSA-N 336.863 2.537 0 50 EFAA Fc1ccc(Cc2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)s2)cc1 253370809 WOZCOJUEKGZDGG-HUUCEWRRSA-N 349.431 2.652 0 50 EFAA CC(=O)N1CC(Nc2ccc(Br)c3cccnc23)=CC1=O 218469628 HAIMTMTXLLWKNP-UHFFFAOYSA-N 346.184 2.682 0 50 EFAA COc1ccc2cc([C@@H]3CN(c4nccc(N)n4)CCO3)ccc2c1 71748496 FLEOHCMGWZABTJ-KRWDZBQOSA-N 336.395 2.799 0 50 EFAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(Cl)cc1 210722994 WJQZUSWGRJVCCG-STQMWFEESA-N 343.807 2.830 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CCCCC2 155934427 DAQYUCDDUOYUJJ-UHFFFAOYSA-N 329.400 2.521 0 50 EFAA CC(C)(C)CCc1noc([C@H]2CC(=O)N(Cc3ccccn3)C2)n1 367544878 QGIQOMFVWWQHRM-ZDUSSCGKSA-N 328.416 2.959 0 50 EFAA O=C(NCC1(N2CCCCC2)CCCC1)[C@H](O)c1ccccc1F 216316324 MZIAKVMBDOWDKQ-QGZVFWFLSA-N 334.435 2.774 0 50 EFAA COCc1cccc(CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 282716337 YYTYLOKDGKMNDT-RTBURBONSA-N 343.398 2.849 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](O)(CO)CC2)c(-c2ccccc2)o1 72125329 OBMPPJJCZMHYPT-LJQANCHMSA-N 329.396 2.605 0 50 EFAA CC(=O)Nc1ccc(CN2CCCN(c3ncccc3F)CC2)cc1 369026739 DKQHICSPQFCIAA-UHFFFAOYSA-N 342.418 2.891 0 50 EFAA COc1ccc(CNC(=O)c2cc3ccccc3n2C)cc1C(=O)O 237332961 BTMZCXKLWNPNDF-UHFFFAOYSA-N 338.363 2.815 0 50 EFAA COCc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1 72422373 BXIDCGOKRWOUQX-UHFFFAOYSA-N 327.428 2.975 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cc(F)cc3nc[nH]c23)Cc2ccccc21 375039766 NMPXCJQNJHZCMD-AWEZNQCLSA-N 339.326 2.526 0 50 EFAA O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 376206693 AAZANPLLBDTZKN-KGLIPLIRSA-N 347.308 2.865 0 50 EFAA COCCC(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C 14949685 FMMOHFYYNIUNFE-ZDUSSCGKSA-N 334.464 2.768 0 50 EFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C)c2C(N)=O)C1 17072622 RHMICHSDXWYFJU-RYUDHWBXSA-N 349.500 2.785 0 50 EFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ncc(F)cc2F)n[nH]1 289241069 ZNRFEMQJWKCZJG-LBPRGKRZSA-N 335.358 2.969 0 50 EFAA COc1ccc(-c2ccc(S(C)(=O)=O)cc2)c(-n2cccn2)c1 426504411 CXDRTDKSOJSGCW-UHFFFAOYSA-N 328.393 2.951 0 50 EFAA CN(C)[C@H]1CCCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 82121700 HYXHQAYKTZZKFA-FQEVSTJZSA-N 343.515 2.809 0 50 EFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)NCCCN1CCCC1 426593772 MSECIZOXMQBORW-UHFFFAOYSA-N 343.475 2.623 0 50 EFAA CN(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 290221109 ORFRFKZUISYUCK-LSDHHAIUSA-N 333.432 2.661 0 50 EFAA CN(Cc1noc(C2CC2)n1)C(=O)c1ccc2cccc(F)c2n1 19635736 LDCWUCQAHOATEB-UHFFFAOYSA-N 326.331 2.907 0 50 EFAA COCCN1C[C@@H](Cc2ccccc2-c2nnc(C)s2)CC1=O 222721396 PUBDMVJUQIEBRB-ZDUSSCGKSA-N 331.441 2.551 0 50 EFAA CC(=O)c1cc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cs1 426411537 RPAKJIWAXUOVTD-CQSZACIVSA-N 347.440 2.611 0 50 EFAA Cc1c(CCC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cnn1C 179528233 PCSHKKDGJOZGQH-HNNXBMFYSA-N 347.846 2.994 0 50 EFAA CCCS(=O)(=O)CC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 265422062 OGUHTVRVIBGRKX-CJNGLKHVSA-N 341.498 2.516 0 50 EFAA CCc1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)[nH]1 426514654 MOCBMMHDJHJDBQ-INIZCTEOSA-N 327.428 2.677 0 50 EFAA O=C(O)[C@@H](c1cccc(OCC(F)(F)F)c1)N1CCSCC1 95388390 OMPMNXGRCFYJKY-GFCCVEGCSA-N 335.347 2.802 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCOC[C@H](CN(C)C)C3)oc2c1 91644628 ZAPVVWRKKVPDQC-OAHLLOKOSA-N 330.428 2.700 0 50 EFAA O=C(NCc1ccncc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 91269950 OQZNTQFVGDYBAW-INIZCTEOSA-N 329.444 2.659 0 50 EFAA O=S(=O)(c1cc(F)c(Br)cc1F)N1CCCC1 143723037 ACTWCMUCCKGNOI-UHFFFAOYSA-N 326.162 2.512 0 50 EFAA O=C(NCC1(Cn2cccn2)CC1)C1CCN(C2CCCCC2)CC1 95354364 NLLLCTMKULKJDQ-UHFFFAOYSA-N 344.503 2.824 0 50 EFAA Cc1ncc(C(=O)N2CCC(CCCc3ccccc3)CC2)c(=O)[nH]1 91551861 ACPGKNFAXBYQPS-UHFFFAOYSA-N 339.439 2.953 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)cc1O)CC2 91426090 KAVMFBXIPRIZIU-UHFFFAOYSA-N 330.428 2.565 0 50 EFAA COCCN1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95498885 PJMSPSYIOVUALF-UHFFFAOYSA-N 330.472 2.580 0 50 EFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 95380755 IZFWTLPVSQGDRP-QZTJIDSGSA-N 328.456 2.824 0 50 EFAA Cc1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C 91656568 BQTTVIOCZSIOKV-UHFFFAOYSA-N 344.499 2.890 0 50 EFAA Cc1ccnc(NCCNC(=O)C2CCN(C3CCCCC3)CC2)c1 95386377 MMNDRDSFXHMSHE-UHFFFAOYSA-N 344.503 2.963 0 50 EFAA COCCN1C[C@@H](Cc2cc(C)c3cccc(OC)c3n2)CC1=O 244724512 MVLHERYCKLZMSW-AWEZNQCLSA-N 328.412 2.589 0 50 EFAA O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(O)c1 182532079 ZKTDHLJQQIUACN-HNNXBMFYSA-N 325.286 2.572 0 50 EFAA Cc1nc(C)c2c(n1)O[C@@H](CN(C)Cc1ccc3nsnc3c1)C2 244707999 KLRIYGRBIDLXOR-CYBMUJFWSA-N 341.440 2.534 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1Cc2cccc(F)c2O1)c1ccc(F)cc1 299750914 OTQULXZVUUAISN-HUUCEWRRSA-N 347.317 2.601 0 50 EFAA C[C@@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 184652244 XHIQQBFXFYCDKB-AEFFLSMTSA-N 330.472 2.972 0 50 EFAA O=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1ccsc12 352191271 FSFGNMLCFDPRFW-UHFFFAOYSA-N 332.400 2.986 0 50 EFAA CCc1nc(CCNC(=O)c2csc(-c3ccccc3)n2)no1 264305599 KGXYBCAHFJHUMX-UHFFFAOYSA-N 328.397 2.728 0 50 EFAA CCOc1ccc([C@H]2Cn3nc(-c4nc(C)no4)cc3CO2)cc1 263618846 VTZWINQTVVTVGT-MRXNPFEDSA-N 326.356 2.912 0 50 EFAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1ccc2ccccc2c1 299783001 GVSHKTVKVCLHMV-OALUTQOASA-N 325.456 2.610 0 50 EFAA Cc1cccc(SC2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1 299777724 ODIZPTDELTVEDL-MRXNPFEDSA-N 348.512 2.535 0 50 EFAA COc1ccc(OC)c(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c1 299780587 KJZQNRDWYNCSJL-INIZCTEOSA-N 341.407 2.968 0 50 EFAA CC[C@H](c1nc(Cc2cccc(Cl)c2)nn1CCO)n1cccn1 828777020 RLFKVZRFCANSOB-OAHLLOKOSA-N 345.834 2.711 0 50 EFAA C[C@H]1CN(C(=O)c2ccc3c(c2)nc(CO)n3C)Cc2ccccc21 1337315716 WEIAQKVJGGQBBK-ZDUSSCGKSA-N 335.407 2.825 0 50 EFAA Cc1cc(NC(=O)CNC(=O)c2ccccc2)cnc1C(F)(F)F 1363487505 RIHFEYYSQLMVMC-UHFFFAOYSA-N 337.301 2.777 0 50 EFAA O=C(NCc1nnc2ccccn12)[C@@H]1CCCc2c1[nH]c1ccccc21 952867442 NCYYTHIITAYYHR-OAHLLOKOSA-N 345.406 2.947 0 50 EFAA COCCN1CC[C@@H](CN(C)Cc2ccc(-n3cccn3)cc2C)C1 97087961 MPWAKROEJYVFQC-SFHVURJKSA-N 342.487 2.581 0 50 EFAA CC(=O)Nc1cccc(OCCNc2nc(O)c3ccccc3n2)c1 301202976 QCWVGBWVHGIQCS-UHFFFAOYSA-N 338.367 2.785 0 50 EFAA CCC[C@]1(COC)CCCN1C(=O)c1ccc(CNC(C)=O)s1 170615511 AOCWUWYHRUNZEC-QGZVFWFLSA-N 338.473 2.806 0 50 EFAA CN(C(=O)CCc1ccccn1)C1(CNC(=O)OC(C)(C)C)CCC1 408520594 NHIQTWYNCHFFBC-UHFFFAOYSA-N 347.459 2.920 0 50 EFAA C[C@@H](c1nnnn1C)S(=O)(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 188937968 IXZXMVATJNQSBE-SFYZADRCSA-N 349.243 2.754 0 50 EFAA C[C@H](c1ccc(F)c(F)c1)N1CCN(CCc2cnccn2)CC1 640096576 DMZYVUFSXPZGFI-CQSZACIVSA-N 332.398 2.676 0 50 EFAA CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 189723719 PBXJJBLBDWBLKB-MRVPVSSYSA-N 330.215 2.584 0 50 EFAA CN(C[C@@H](O)CC1CCCC1)C1CCN(CCc2ccccn2)CC1 190648572 VMCDEMFYYYKBRM-NRFANRHFSA-N 345.531 2.962 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643888264 CWZGYPFOPPGNNT-AWEZNQCLSA-N 341.415 2.694 0 50 EFAA Cc1c([C@H](C)N[C@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C 191371050 RWESWHQXWFLKRS-JQWIXIFHSA-N 332.370 2.586 0 50 EFAA COC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(Cl)cc1 194627713 NAKSYSRMAGIPPI-HZPDHXFCSA-N 337.851 2.517 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)N1CCc2ccccc2C(C)(C)C1 664656617 MIRBHDMJGOIIQW-ROUUACIJSA-N 346.471 2.726 0 50 EFAA CO[C@H](CNC1CCN(C(=O)c2ccncc2)CC1)c1cccs1 1506414045 BRDXCHAHVURYRB-MRXNPFEDSA-N 345.468 2.725 0 50 EFAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)Cc1noc(C2CCC2)n1 1506400796 XAMJOHRZUOTQFR-OAHLLOKOSA-N 349.362 2.743 0 50 EFAA CN(C)S(=O)(=O)CCCN1CCCC[C@H]1CCc1cccs1 1506415470 XWYVYRUMJIVGBI-HNNXBMFYSA-N 344.546 2.817 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3nc4c(s3)CCCC4)C2)n1 1506409441 XNCILZPPFCAOAX-CYBMUJFWSA-N 330.457 2.922 0 50 EFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(C(F)(F)F)s1 1152764 BKUSCVOJKWFROS-DUXPYHPUSA-N 343.286 2.938 0 50 EFAA CN(C)c1nccnc1N1CCC(c2nc3ccccc3n2C)CC1 1704336431 IEADAPKUWZGQRV-UHFFFAOYSA-N 336.443 2.813 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)[C@@]1(c2ccc(F)cc2)CC1(C)C 1704329331 RCDFSUHFLLDTHF-IBGZPJMESA-N 345.418 2.546 0 50 EFAA CCOCCCNC(=O)c1c(C)ccc(Br)c1OC 424541257 UTDYIVVATDXSRO-UHFFFAOYSA-N 330.222 2.923 0 50 EFAA Cc1cc(N2CCOC3(CCN(C)CC3)C2)nc2ccc(F)cc12 1772811207 RDHSKAJKKJQXET-UHFFFAOYSA-N 329.419 2.983 0 50 EFAA CC(C)N1C[C@@H](CN(C)Cc2ccccc2CN(C)C)CCC1=O 1775977974 MFWJWERZUPUSRZ-QGZVFWFLSA-N 331.504 2.827 0 50 EFAA COc1cc2c(cc1-c1nccn1-c1ccc3c(c1)nnn3C)OCO2 1775978714 BZVSQAMGOWAKLE-UHFFFAOYSA-N 349.350 2.558 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccc3ccccc3n2)CC12CCOCC2 1775983855 UFORBZKYNIZMNZ-MRXNPFEDSA-N 326.396 2.548 0 50 EFAA O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1ccncc1 13329252 PBODRCMZRAAQNU-UHFFFAOYSA-N 327.409 2.776 0 50 EFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccs2)NC(=S)N1 13497299 OTBKUZGIJRQXGG-OAHLLOKOSA-N 343.477 2.857 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](CC2CCCCC2)C1 19774659 YFPVGLSVDLFPCU-HNNXBMFYSA-N 328.416 2.769 0 50 EFAA COc1cc(CNCCc2ccccc2)cc(Cl)c1OCC(N)=O 19871696 XONFTMJDFIPJHO-UHFFFAOYSA-N 348.830 2.545 0 50 EFAA Cc1cn2nc(C(=O)NCc3cccs3)cc2c(N2CCCC2)n1 169768734 RUWIFTWWBKPXDK-UHFFFAOYSA-N 341.440 2.629 0 50 EFAA COc1cnccc1[C@H](C)NC1CCN(c2cc(C)nc(C)n2)CC1 1857529025 DSNJMOLCBVGSDQ-AWEZNQCLSA-N 341.459 2.817 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CNc3cccnc3)C2)c1 1857691257 CFXPTSCHQRUAIN-CQSZACIVSA-N 341.411 2.527 0 50 EFAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 211226047 IHTHAACCWLLHTL-PBHICJAKSA-N 343.464 2.942 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 408474927 ZHEXSKPTHVKHOI-DZGCQCFKSA-N 337.851 2.589 0 50 EFAA c1nc(C2CC2)c(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)s1 329607789 CLONKJDAOLONLC-RYUDHWBXSA-N 332.429 2.996 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCN2c3ccccc3CC[C@@H]2C)C1 237483619 ZAMQUXARLLLPGU-XYJFISCASA-N 329.488 2.804 0 50 EFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cnc3ccccc3c1)CC2 131764068 DRDNSWOHYUDPEY-INIZCTEOSA-N 349.438 2.623 0 50 EFAA COc1coc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc1=O 253394897 HGTPHYLMSPNTJV-CXAGYDPISA-N 343.379 2.559 0 50 EFAA C[C@H]1CN(c2nc(-c3ccccc3)ns2)C[C@@]2(CCCOC2)O1 253432032 VJGAXDPTYZEHOO-SUMWQHHRSA-N 331.441 2.979 0 50 EFAA Cc1cccc([C@@H](NC(=O)CN2CCC[C@H](C(=O)O)C2)C(C)(C)C)c1 909411619 CLOIYQWKVUYTDZ-FUHWJXTLSA-N 346.471 2.995 0 50 EFAA O=C(O)c1cnc(C2CCN(c3cc(C4CC4)ncn3)CC2)s1 910324494 CDCOUUDIUHJJJD-UHFFFAOYSA-N 330.413 2.893 0 50 EFAA Cn1ncc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1Cl 828080097 BWLHQHTZAUVADH-UHFFFAOYSA-N 348.838 2.507 0 50 EFAA CCn1cc(Cl)c(NC(=O)NC[C@](C)(O)c2cccc(F)c2)n1 932499286 BOEJKGXHMRHMJY-HNNXBMFYSA-N 340.786 2.725 0 50 EFAA CC(C)c1ccc(CNC(=O)NC[C@@H](C)CN2CCOC2=O)cc1 1875311889 DEKUZAUKTKICPL-CQSZACIVSA-N 333.432 2.698 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(C3CCOCC3)c2)cn1 1875381267 PCIYYFHGYDTBSS-AVRDEDQJSA-N 327.428 2.577 0 50 EFAA O=C(c1csc([C@@H]2CCCO2)n1)N1CCC(O)(C2CCC2)CC1 884982260 VNBLWJUOHSARTD-AWEZNQCLSA-N 336.457 2.762 0 50 EFAA CO[C@]1(c2nnc(-c3ccc(-n4nc(C)cc4C)cc3)o2)CCOC1 886082189 IKOYUEQWPOVECG-GOSISDBHSA-N 340.383 2.801 0 50 EFAA CC(C)(COC(=O)Cc1cc(C2CC2)no1)NC(=O)OC(C)(C)C 888099561 QNGOTMCGNVDWFF-UHFFFAOYSA-N 338.404 2.941 0 50 EFAA COCc1csc(CNC2(c3nnc4n3CCCC4)CCC2)c1 888101157 KBIVFDBXBPUHAJ-UHFFFAOYSA-N 332.473 2.991 0 50 EFAA O=C(NCC1(C(F)(F)F)CCCC1)c1ccc(C2(O)COC2)cc1 1775994157 WLDCQGJQLHXZLR-UHFFFAOYSA-N 343.345 2.757 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](Nc3ncccn3)C2)n[nH]c1-c1ccccc1 1775986574 IZOIHLFWAVXDKJ-OAHLLOKOSA-N 348.410 2.502 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)[C@H](CC(=O)O)C(F)(F)F 1775994356 BCAGXGQZCTUDJI-CYBMUJFWSA-N 327.306 2.710 0 50 EFAA COCc1cccc(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)c1 1777237003 BBYYCXOJBDDLRU-INIZCTEOSA-N 327.384 2.658 0 50 EFAA COC1CCC(N(C)C(=O)C[C@@H](C(=O)O)c2ccc(C)cc2)CC1 899807607 AFKFXIPFLDALLM-OFLPRAFFSA-N 333.428 2.969 0 50 EFAA CCn1nc(-c2ccccn2)nc1[C@H]1CCCN(C2CCOCC2)C1 2100544623 BUQPSKBVINCVCN-HNNXBMFYSA-N 341.459 2.718 0 50 EFAA Cn1cc(N2CCC[C@H](NCc3cccc(-c4cc[nH]n4)c3)C2)cn1 2325725567 HSTQIVSNRKGUSZ-KRWDZBQOSA-N 336.443 2.569 0 50 EFAA O=C(O)C[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CC2(CCC2)O1 2325787215 KCXCIJZCGSEWGP-MRXNPFEDSA-N 341.411 2.675 0 50 EFAA Cc1c[nH]c(CNc2nccc(N3Cc4ccccc4C3)n2)c(C)c1=O 2325790692 AUINMEAYTJVCBI-UHFFFAOYSA-N 347.422 2.914 0 50 EFAA Cn1nnc(-c2ccccc2)c1CN1CC[C@@H](Cc2ccccn2)C1 2325794545 GVISSJZNJNJGJX-INIZCTEOSA-N 333.439 2.942 0 50 EFAA CN(Cc1cccc2ccccc12)S(=O)(=O)C[C@@H]1CC[C@@H]1C(=O)O 2325812550 YUYQIAMNWNRSER-RDJZCZTQSA-N 347.436 2.712 0 50 EFAA COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(OC)cc1Cl 475043 SCRJBRSRHBQGTB-UWVGGRQHSA-N 339.775 2.963 0 50 EFAA Cc1cc(C)n(C[C@H](O)COc2ccc(Br)cc2)n1 2550215 GWSRRHXXFSAPKT-ZDUSSCGKSA-N 325.206 2.702 0 50 EFAA Cn1ccc2ccc(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)nc21 2356141811 QNUSSZMKYQICLG-UHFFFAOYSA-N 331.379 2.689 0 50 EFAA CCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 2874712 LXCMYOHIVUVEAS-UHFFFAOYSA-N 337.427 2.977 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(F)cc1 4110644 WCXLOMUOEZKKOY-KYNGSXCRSA-N 348.370 2.920 0 50 EFAA Cc1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cnn1C 225529794 DHEUJIAZAVORQM-HNNXBMFYSA-N 339.848 2.908 0 50 EFAA Cc1cccc([C@H](CNC(=O)C2[C@@H]3CCC[C@@H]23)N2CCOCC2)c1 246998865 QZJUSHQCEZUMIZ-KURKYZTESA-N 328.456 2.531 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](C)Oc2cccnc2)c1 55308897 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CCOC(=O)[C@H](C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 4056230 DYBODSBCCVCYCW-LBPRGKRZSA-N 339.347 2.818 0 50 EFAA Cc1ccc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1Cl 225360990 QMFPIQUOQNBHOC-OLZOCXBDSA-N 325.840 2.567 0 50 EFAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 8714750 ZTEMQZZZGYOJRY-GFCCVEGCSA-N 347.864 2.895 0 50 EFAA CC(=O)Oc1ccc(Cc2csc(CCN3CCOC3=O)n2)cc1 225551493 DKELABURMISNEI-UHFFFAOYSA-N 346.408 2.654 0 50 EFAA COC(=O)c1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1 65465008 PYOYASLSCMBHJE-CYBMUJFWSA-N 348.362 2.528 0 50 EFAA CCSc1nnc(NC(=O)CN2CCC[C@H]2c2ccccn2)s1 65492604 ZQHOLXWBSLASTO-LBPRGKRZSA-N 349.485 2.821 0 50 EFAA C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 248012712 RVQUQJONMHFACL-UGFHNGPFSA-N 348.244 2.954 0 50 EFAA CC[C@]1(C)Oc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc2O1 135268511 FBSQVAAPUWYPGS-KZULUSFZSA-N 327.384 2.982 0 50 EFAA CCN(Cc1cccc(C(=O)Nc2cnccn2)c1)C[C@@H]1CCCO1 65455465 JLOBVUMARXJUCC-KRWDZBQOSA-N 340.427 2.730 0 50 EFAA O=C(NCc1nc2ccccc2s1)N[C@H]1CCN2CCCC[C@@H]12 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CC[C@H](NC(=O)c1cn2cc(C)ccc2n1)c1cn2cccnc2n1 91350841 PCLUSBLMEBELEG-ZDUSSCGKSA-N 334.383 2.567 0 50 EFAA COc1cccc([C@H]2CNC(=O)c3nc(-c4ccncc4C)[nH]c3C2)c1 95358753 XJCPPWHOESFPKJ-CQSZACIVSA-N 348.406 2.858 0 50 EFAA C[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 237538140 PJQHGZPBGRBYNA-ZWNOBZJWSA-N 345.317 2.511 0 50 EFAA CCN(Cc1ccncc1)C(=O)NCCc1ccc(OC)cc1OC 339946113 DLJCQYJWRKSYJW-UHFFFAOYSA-N 343.427 2.873 0 50 EFAA Cn1cc(CCC(=O)N2CCC(Cc3cccc(F)c3)CC2)cn1 298924898 FHLMPSUVVSVTAJ-UHFFFAOYSA-N 329.419 2.973 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 299741824 GKMFPTAWIDBNQG-CYBMUJFWSA-N 345.374 2.728 0 50 EFAA COc1ccc2[nH]c(CN3CCN(C(C)C)[C@H](CCO)C3)c(C)c2c1 38149497 QRYAYZSWMIMOPL-MRXNPFEDSA-N 345.487 2.762 0 50 EFAA CNC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1ccc2ccccc2c1 299795402 MTQNTGHGKPAZCQ-MOPGFXCFSA-N 325.456 2.527 0 50 EFAA Cc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)n1C(F)F 299794579 KWPNYAKVRDOHHR-UHFFFAOYSA-N 348.397 2.981 0 50 EFAA Cc1nnnn1Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1 822512890 VBEUAZCARWCMQE-GFCCVEGCSA-N 349.394 2.606 0 50 EFAA O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC[C@H](c2ncccn2)C1 1464681939 WZNYEBGUGSUIMQ-OIOXUXFSSA-N 349.843 2.920 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnn(-c2ccccc2)c1 275723036 ZCWVVYBRGUNLGJ-ROUUACIJSA-N 337.427 2.709 0 50 EFAA CO[C@@H](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275973201 NUFNIICHAQLLLN-WMZOPIPTSA-N 333.476 2.710 0 50 EFAA O=c1[nH]ncc(NCCCOc2cccc3cccnc23)c1Cl 301278411 PKKKKZDFBIUURP-UHFFFAOYSA-N 330.775 2.853 0 50 EFAA C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1cn(-c2ccccc2)nn1 170090355 YRBJSJDHBOVBTJ-ZIAGYGMSSA-N 345.472 2.865 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)NC1(C(F)(F)F)CCOCC1 170003156 COIZRJUYVHXFKV-UHFFFAOYSA-N 341.326 2.524 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC(c2ccnn2C)CC1 170604440 ZEKUSYOYTWHGDA-UHFFFAOYSA-N 333.457 2.598 0 50 EFAA CC(=O)NC1(c2noc(C[C@@H]3CCCC(C)(C)C3)n2)CCN(C)CC1 170692279 HEQOEKWQABUPOQ-HNNXBMFYSA-N 348.491 2.886 0 50 EFAA Cc1c(C(=O)N2C[C@@H](CN)C3(CCOCC3)C2)oc2c(F)cccc12 647079642 TUDMQKSQADWCQT-CYBMUJFWSA-N 346.402 2.708 0 50 EFAA CN(CCCO)C1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194252429 HECKTMPXYGITRW-UHFFFAOYSA-N 348.472 2.607 0 50 EFAA CN(C)CCOc1ccc(N(C)C(=O)c2cccc3c[nH]nc23)cc1 732134744 HEEKZZDNHVXNIC-UHFFFAOYSA-N 338.411 2.780 0 50 EFAA CCc1nc(C)c(CN2CCCN(C(=O)c3cccs3)CC2)[nH]1 1529190070 DOWFCBXNAREBBW-UHFFFAOYSA-N 332.473 2.690 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)c2c(C)oc3c2C(=O)CCC3)s1 1529125709 YFYNJIGVKMXOBB-MRVPVSSYSA-N 335.385 2.918 0 50 EFAA Cc1ccc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1Cl 1704316463 QKBPQIPXXDGVFU-UHFFFAOYSA-N 334.851 2.884 0 50 EFAA CC(C)c1nc([C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)no1 229297992 LMQWBAYJIPOZKD-SJORKVTESA-N 345.443 2.908 0 50 EFAA Cc1ccc(-n2nnnc2SCC(=O)N2CCC(C)CC2)cc1C 5392159 OVFOLHISCPQNFA-UHFFFAOYSA-N 345.472 2.630 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C 5033442 PTRJNPUYMHATJT-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA OCCC[C@@H]1CCCCN1Cc1nc(Cc2ccccc2F)no1 11842460 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COC(=O)c1cnccc1C(=O)N1CCC(c2nc(C)cs2)CC1 253405009 XMXLYEVJWHFCFX-UHFFFAOYSA-N 345.424 2.653 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)c(F)c(F)c2)C1 379249930 BNCVZQKRSYSMJJ-XCBNKYQSSA-N 326.240 2.598 0 50 EFAA CCn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c(C2CC2)n1 902017710 RKQPLMHJPUAAGR-GDBMZVCRSA-N 339.395 2.823 0 50 EFAA COC/C(C)=C/c1nc(-c2ccnc(OC)c2Br)no1 904203936 HBYPHFLKGUBEIW-SOFGYWHQSA-N 340.177 2.952 0 50 EFAA Cc1nc2scc(C)n2c1CN[C@@H](CO)Cc1ccc(F)cc1 1205609568 VPKGMXKSZDASFY-OAHLLOKOSA-N 333.432 2.845 0 50 EFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)O 910450952 VHXDSAHBLATKHD-FZMZJTMJSA-N 334.372 2.756 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)NCc1nc2c(s1)COCC2 930925441 YIFKEOVWXREEBM-SNVBAGLBSA-N 347.444 2.705 0 50 EFAA COc1cccc(N[C@@H](C)C2(O)CCOCC2)c1Br 1875285019 ADICBPIVOPLTLZ-JTQLQIEISA-N 330.222 2.800 0 50 EFAA CC(C)(C)[C@@H](NC(=O)c1cc(C(F)(F)F)cs1)c1nc(=O)o[nH]1 1875285363 LDFDKWCUKQPCGR-QMMMGPOBSA-N 349.334 2.960 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@H](c2ccccc2C)C2CC2)CC1 1875369384 LCIXJQRVEXXSIV-IBGZPJMESA-N 326.440 2.987 0 50 EFAA Cc1cc(-c2nn[nH]n2)cc(C)c1CN1CC[C@@H]2C(F)(F)[C@]2(C)C1 1875329979 NBJQMNQXWOBDKJ-GOEBONIOSA-N 333.386 2.961 0 50 EFAA C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)Cc2ccccc2O1 886078525 ZLZOTSHFPLOLMX-CYBMUJFWSA-N 341.411 2.727 0 50 EFAA Cc1cnc(CNC(=O)N2CCC(c3cncn3C)CC2)c(C)c1 1772260333 BNQRQTQVUKYASO-UHFFFAOYSA-N 327.432 2.521 0 50 EFAA O=C(NC1CCC(OC(F)F)CC1)N[C@@H]1CCC[C@@H]1n1ccnc1 895252918 WWMGFVXXDATPDG-PQAZSJQKSA-N 342.390 2.826 0 50 EFAA O[C@H]1C[C@](CNc2cc(N3CCCCC3)ncn2)(c2ccccc2)C1 895594964 HZXJVDYGOGCWIR-IRJFHVNHSA-N 338.455 2.972 0 50 EFAA O=C(N[C@]12CCC[C@@H]1NCC2)c1ncc(C(F)(F)F)cc1Cl 1775600674 SOXAPQLTDJIKMQ-GWCFXTLKSA-N 333.741 2.768 0 50 EFAA CC(C)(Nc1ccccc1)C(=O)N1CCC[C@@H](NC2CCOCC2)C1 899925759 HASZGCGNQCRWPB-GOSISDBHSA-N 345.487 2.637 0 50 EFAA CCc1nc2onc(-c3ccc(Br)s3)c2c(=O)[nH]1 4629505 WHOQSMZXGSAZHW-UHFFFAOYSA-N 326.175 2.965 0 50 EFAA O=C1NCCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21 2325772317 XYDQKNNGQCDNDF-UHFFFAOYSA-N 348.449 2.712 0 50 EFAA O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@@H]1NCCc2sccc21 2325810626 VAMQGGBIMXSDHD-INIZCTEOSA-N 343.427 2.914 0 50 EFAA Cc1cc(C(=O)Nc2ccc(CN)cc2O)c(C)n1-c1cccnc1 2325859328 VQIQHMGHJPJCSR-UHFFFAOYSA-N 336.395 2.906 0 50 EFAA O=C1C[C@@H](CO)CN1c1ccc(-c2cccc3nsnc23)cc1 2325861390 OKWDFROZTRXBGX-LLVKDONJSA-N 325.393 2.704 0 50 EFAA CN(Cc1ccc([S@](C)=O)cc1)C1=NC[C@@H](c2ccccc2)N1 2325863564 NYEFPFHSPRZENU-SBUREZEXSA-N 327.453 2.556 0 50 EFAA CCSc1nc(CC(=O)N2CCc3[nH]nc(CC)c3C2)cs1 32541351 QWAOECCFISHKJG-UHFFFAOYSA-N 336.486 2.668 0 50 EFAA CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC)c3ccccc32)cc1 565231 QRORDCVKKIFDNK-FQEVSTJZSA-N 339.391 2.912 0 50 EFAA Cc1cccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)n1 1070614 UTRVGZUOZQWIIG-UHFFFAOYSA-N 343.770 2.949 0 50 EFAA Cn1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 245847273 JTMIUYRLNHRXCG-BPQIPLTHSA-N 330.476 2.738 0 50 EFAA COc1ccc(C=O)cc1OCCOc1cc(C=O)ccc1OC 1765269 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EFAA CCCc1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)ccn1 67805531 WLRTVDDGRHWLGC-UHFFFAOYSA-N 339.439 2.861 0 50 EFAA C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 248999418 NTEJDCOVHSLUQD-ZVZYQTTQSA-N 340.423 2.926 0 50 EFAA Cn1cc(CN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)cn1 20600223 NZLGYNKIMQZBSF-UHFFFAOYSA-N 336.443 2.591 0 50 EFAA CCCc1cc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)ccn1 65408799 QNJFKAJUPBXSAL-LBPRGKRZSA-N 337.383 2.970 0 50 EFAA COC(=O)[C@H](NC(=O)CCn1ccc2c(Cl)cccc21)C(C)C 409412989 UUHUHNKTYDCEPN-MRXNPFEDSA-N 336.819 2.999 0 50 EFAA O=C(CC1(C(=O)N[C@H]2C=CCCC2)CCOCC1)N[C@@H]1C=CCCC1 332964474 KQICHNMOWKYCMX-SJORKVTESA-N 346.471 2.623 0 50 EFAA CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccncc2)C1 302844 OSLRRKNNZSRLPY-GOSISDBHSA-N 325.368 2.547 0 50 EFAA CC(C)Cc1nnc(NC(=O)N2CCC(c3ccnn3C)CC2)s1 151495832 RLPZKCNAJPBDCY-UHFFFAOYSA-N 348.476 2.882 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 151912302 LFWADDZEJPIHPV-ZIAGYGMSSA-N 329.318 2.725 0 50 EFAA COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O 329539289 VXWFYMSJBGKFFQ-SJORKVTESA-N 345.439 2.533 0 50 EFAA Cc1nc([C@H]2CCCN(CCc3cn[nH]c3)C2)cc(N2CCCC2)n1 72439443 KUSXSAIREMTAIJ-KRWDZBQOSA-N 340.475 2.530 0 50 EFAA CC(C)(COCc1ccccc1)C(=O)N1CCc2ccnc(O)c2C1 253397611 YJPRYNSIAXVJIQ-UHFFFAOYSA-N 340.423 2.915 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)c1ccc(F)cc1 331718600 QFNNECHLMBJTHY-YVVXQTMVSA-N 348.418 2.721 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)n(-c2ccccc2C)n1 253418579 BGVNEZCAYSYJFG-OAHLLOKOSA-N 349.438 2.966 0 50 EFAA Nc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 253432471 KNJYCDAIHUDZBK-LLVKDONJSA-N 325.338 2.785 0 50 EFAA O=C(N[C@H]1CC[C@@H](O)C1)c1ccc(-c2ccc3c(c2)OCCO3)s1 253417549 VWIFMTWKHVNIRK-QWHCGFSZSA-N 345.420 2.830 0 50 EFAA CCc1cnc(CCNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)s1 154092237 LEGZSRRGJSEVCS-ZFWWWQNUSA-N 347.488 2.737 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C1 364053783 FSXBCRTZMDHWHJ-OZSKJFCKSA-N 332.407 2.998 0 50 EFAA CCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1C 155825528 XAZVIINMBWJFFW-QGZVFWFLSA-N 340.427 2.973 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1cccc(C)c1 72473101 NZHIWJIAUQIDIA-LJQANCHMSA-N 343.515 2.808 0 50 EFAA O=C(NCc1ccccc1N1CCCCC1)[C@@H]1C[C@H]1C1CCNCC1 377802099 FTIACHVLBNEHDR-RBUKOAKNSA-N 341.499 2.929 0 50 EFAA O=C(N1CCC(c2cccc3cnccc23)CC1)[C@@]1(O)CCSC1 372890088 JHYVXBNRVSUTBW-LJQANCHMSA-N 342.464 2.809 0 50 EFAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](N(C)C)CC2)c1 72157359 JGBDIZKQKFMZDZ-INIZCTEOSA-N 326.444 2.941 0 50 EFAA O=C(CCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1cccs1 262341125 GCFZNIZRNUJIMU-UPJWGTAASA-N 335.425 2.955 0 50 EFAA COc1ccc(OC)c2c1CN(c1nc(C(C)(C)C)ns1)C[C@@H]2O 157818619 XCGDWVLFPSCVRY-NSHDSACASA-N 349.456 2.906 0 50 EFAA CC1(CNC(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)COC1 130943671 XDNXAVGNSFTPGE-UHFFFAOYSA-N 330.409 2.511 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@H]2CC(=O)N(C)c3ccccc32)on1 71776247 ZPJGMRGIICDANV-INIZCTEOSA-N 341.411 2.640 0 50 EFAA O=C(CN1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1nncs1 374550855 KEONKAOHJARZOD-VIFPVBQESA-N 334.367 2.531 0 50 EFAA Cc1cccc(SC2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)c1 77376413 ULFUSJCEGQJSAV-INIZCTEOSA-N 347.484 2.621 0 50 EFAA O=C(NCc1c(F)cc(F)c(F)c1F)N1CC[C@H]([C@H]2CCOC2)C1 240540853 GPSPCCMMTDTDCG-UWVGGRQHSA-N 346.324 2.811 0 50 EFAA CSc1cccc(F)c1C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 240886226 INYBSXZAVHXPHK-BDJLRTHQSA-N 325.405 2.568 0 50 EFAA CCOc1ccc(CN2CCC([C@@H](O)c3ccccn3)CC2)cn1 215302066 BVURBVXWLMUSHB-LJQANCHMSA-N 327.428 2.821 0 50 EFAA C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)O1 241775954 RQPJCVCLGYKMNL-VHDGCEQUSA-N 326.400 2.703 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 284556446 LVQAXLSUBWMXMG-YDHLFZDLSA-N 330.350 2.857 0 50 EFAA CC(C)n1cc(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)cn1 77375509 FLYQLHYXFAUEQS-GOSISDBHSA-N 326.444 2.593 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)c1ccccc1[C@@H]1CCNC1 72129479 FACURWXTOOYMAY-CQSZACIVSA-N 339.439 2.903 0 50 EFAA CO[C@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1 173664931 JUPRVKUTPRRFBN-QGZVFWFLSA-N 346.406 2.826 0 50 EFAA Cc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)cc(N2CCCC2)n1 290479971 WQORHZPUKQVPBW-UHFFFAOYSA-N 325.416 2.521 0 50 EFAA CCCc1nnsc1C(=O)N(C)Cc1cc(-c2ccccn2)no1 223191814 KYJHRMOSIILCRS-UHFFFAOYSA-N 343.412 2.813 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)s1 177951516 MNKJJWPICPEOKK-CHWSQXEVSA-N 347.440 2.917 0 50 EFAA O=C(CS(=O)(=O)c1cccc(F)c1)N(C1CCCC1)C1CC1 176714911 SCOOJLCBKGDJGM-UHFFFAOYSA-N 325.405 2.533 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)NCc1noc([C@H]2CCCO2)n1 223440371 VQDMMPGKMISRTP-OAHLLOKOSA-N 340.383 2.570 0 50 EFAA CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1nncn1C 177212675 LCXNZEVBEUPRFW-UHFFFAOYSA-N 346.822 2.931 0 50 EFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)(F)F)C1CCC1 177507093 NVZYZSKMYQZTHR-UHFFFAOYSA-N 342.321 2.941 0 50 EFAA O=C(NCc1ccccc1-n1cncn1)c1ccc(Cl)cc1F 222952986 KANPCYBHGWNHBF-UHFFFAOYSA-N 330.750 2.990 0 50 EFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1cc(C)ccc1F)CC2 426555893 LTKKVQRCBDXWDV-NZSAHSFTSA-N 337.435 2.655 0 50 EFAA O=C(COc1cccnc1)NC[C@H](c1ccccc1)N1CCCCC1 221367094 NCYMFCGBDNWWIK-LJQANCHMSA-N 339.439 2.804 0 50 EFAA CSc1nnc(CC2CCN(C3Cc4ccccc4C3)CC2)n1C 82170518 PKNSULMWCPTZJY-UHFFFAOYSA-N 342.512 2.959 0 50 EFAA Cc1ccc2nc([C@@H](C)NC(=O)NCC3(O)CCCCC3)[nH]c2c1 426658355 LNJAEOSDTWYSNQ-CYBMUJFWSA-N 330.432 2.927 0 50 EFAA Cc1noc(-c2cccnc2N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 291864903 NENRVXOOASZRHH-LLVKDONJSA-N 342.321 2.986 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@]2(CCc3ccccc32)C1 178940431 CBZHYXWXGRHYLS-HXUWFJFHSA-N 339.439 2.660 0 50 EFAA CN(C)c1ncc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cn1 178901290 PUYHKKGRXAIAPD-CVEARBPZSA-N 341.415 2.584 0 50 EFAA CC[C@@H](c1ncnn1C)n1cc(-c2ccc(-c3cc[nH]n3)s2)nn1 91452021 HGPVRSUJHDBDOH-LBPRGKRZSA-N 340.416 2.525 0 50 EFAA COc1ccccc1-n1cc(CN2CCC[C@@H](N(C)C)CC2)cn1 97099493 UGCKVODDWNYSQX-QGZVFWFLSA-N 328.460 2.797 0 50 EFAA CNc1ccccc1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 293784402 RUNXBOXYZIARSV-MRXNPFEDSA-N 332.444 2.919 0 50 EFAA O=C(CCN1CCCCC1=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 97505222 CUNOBBXLSWNEIB-QZTJIDSGSA-N 344.455 2.643 0 50 EFAA Cc1ccc(C(=O)O)c(N2CCCN(Cc3ccccc3F)CC2)n1 96167007 VWZRTFVTEGPBHO-UHFFFAOYSA-N 343.402 2.940 0 50 EFAA Cc1cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)on1 91636976 UHRAUXUKLRZHGQ-ZWKOTPCHSA-N 339.439 2.649 0 50 EFAA O=C(NCc1cn2ccsc2n1)[C@H]1CCOc2ccccc2C1 97402312 ORWVOIGXZHRQSE-ZDUSSCGKSA-N 327.409 2.653 0 50 EFAA CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(F)cc2)CC1 95504886 PSZSRBDMQFWECB-KRWDZBQOSA-N 336.407 2.578 0 50 EFAA Cc1cccn2c(CC(=O)N3CCCN(c4ccccc4)CC3)cnc12 91416430 DKEXMGWWRQPYSP-UHFFFAOYSA-N 348.450 2.924 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)NCc1cccc(C(F)(F)F)n1 297692601 GYUNGQGIOQOSSF-GFCCVEGCSA-N 331.338 2.811 0 50 EFAA CN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccccc2)CCOCC1 299588439 DMHRFWTXWIMGCQ-UHFFFAOYSA-N 333.428 2.535 0 50 EFAA NCc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 299753777 ZHQBDFFIUZEYLM-LJQANCHMSA-N 342.414 2.870 0 50 EFAA Cn1cc(CN(C(=O)c2cccc(-c3cncnc3)c2)C2CC2)cn1 299757727 APPLFYDNQPCTRO-UHFFFAOYSA-N 333.395 2.682 0 50 EFAA CC(C)c1nc(CNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)no1 827647210 CLQYTALSRMQLIH-GFCCVEGCSA-N 343.305 2.562 0 50 EFAA O=C(Nc1ccc2scnc2c1)c1ccc(Cn2cnnn2)cc1 828157747 GTCXOWHVKJSWKF-UHFFFAOYSA-N 336.380 2.583 0 50 EFAA COc1ccc(Cl)cc1-n1nc(-c2ccco2)nc1[C@@H](N)[C@@H](C)O 824746016 RPMOGJBCFBBVRG-OTYXRUKQSA-N 348.790 2.570 0 50 EFAA CCN(CCOC)C(=O)c1cccc(-c2nc(C)nc(O)c2Cl)c1 584903154 ZTLDJGSYAGRLKV-UHFFFAOYSA-N 349.818 2.920 0 50 EFAA O=C(N[C@@]12CCCN(CC1)C2)c1cnc(Cc2ccccc2)s1 1417573458 FJVHWQLWMGRADV-SFHVURJKSA-N 327.453 2.702 0 50 EFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 245758793 VGWSLFUGNULBMN-KZNAEPCWSA-N 345.439 2.943 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)c3scc4c3OCCO4)cc2[nH]1 952978645 BMAALMXTLQLLMC-QMMMGPOBSA-N 345.380 2.701 0 50 EFAA CC(=O)Nc1ccc2nc(CNCCN=c3cc[nH]cc3C)ccc2c1 952982441 HDDPHIJXRQUBAH-UHFFFAOYSA-N 349.438 2.520 0 50 EFAA Cn1cc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c([C@@H]2CCOC2)n1 276071583 UPGPPEIUFAAOAU-SECBINFHSA-N 345.790 2.706 0 50 EFAA CCc1nnc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)nc1CC 277112692 YFRAMBLXVFGDPK-MEDUHNTESA-N 334.370 2.587 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1Cn1ccnc1 277238947 OGRHUELEPZRXFF-ROUUACIJSA-N 327.428 2.753 0 50 EFAA Cc1ncsc1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186567330 NFHFRLBGPNKAIT-HNNXBMFYSA-N 330.457 2.631 0 50 EFAA Cc1nc(CC(C)C)oc1C(=O)N1CCCc2c(C(N)=O)cccc21 188554669 ZDJQNDICOGFPEP-UHFFFAOYSA-N 341.411 2.873 0 50 EFAA Cc1cc(O)nc([C@@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 192615343 QLOGYUWZTZYOHR-ZBFHGGJFSA-N 335.448 2.602 0 50 EFAA CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192634976 LAXMFDLXJUMZIP-UHFFFAOYSA-N 347.436 2.926 0 50 EFAA O=C(C[S@@](=O)c1cccs1)NCCOc1ccc(Cl)cc1 194616519 JHRRKRAACVTCEG-OAQYLSRUSA-N 343.857 2.704 0 50 EFAA Cc1cccn2cc(CC(=O)N3CC[C@H](C(=O)O)c4ccccc43)nc12 669434909 MWYHMQGIGGVQNH-INIZCTEOSA-N 349.390 2.790 0 50 EFAA Cc1cc([C@@](C)(O)CNCc2cc3ccccc3n(C)c2=O)c(C)o1 1656578488 BUJSPQUHBHWELH-FQEVSTJZSA-N 340.423 2.746 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCCN(C[C@@H]3CC=CCC3)CC2)n1 1775980820 BUGUKMHPJNMGJB-CQSZACIVSA-N 336.867 2.578 0 50 EFAA CC(=O)Nc1ccc(-c2nccn2-c2ccc3c(c2)nnn3C)cc1 1772810598 NAIQRFKRWVAZLH-UHFFFAOYSA-N 332.367 2.779 0 50 EFAA O=C(c1cnc[nH]1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12445188 GJFWADMYFMWYRK-ZDUSSCGKSA-N 339.317 2.512 0 50 EFAA CC(C)Oc1ccc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 12580537 LEXHKPAASGCDJD-HNNXBMFYSA-N 332.444 2.851 0 50 EFAA O=C(CCC(F)(F)F)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 14969912 ZXPDHXHQBGDSGB-AWEZNQCLSA-N 342.361 2.679 0 50 EFAA CC[C@H](COC)Nc1ncnc2sc(C(=O)NC(C)C)c(C)c12 14994219 RTYNYYVTWOEJJK-LLVKDONJSA-N 336.461 2.975 0 50 EFAA Cc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(Cl)c1 16622705 OMYNKJVYSQNSHE-UHFFFAOYSA-N 327.775 2.554 0 50 EFAA CC(C)(C)C(=O)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19315778 NXYYQONZMYUYCX-IUCAKERBSA-N 331.671 2.614 0 50 EFAA COc1cccc(CN2C(=O)CC[C@H]2CCNCc2ccccn2)c1 19535855 LEUSKILITWEBSR-SFHVURJKSA-N 339.439 2.761 0 50 EFAA COc1cccc(CN2CCN([C@@H]3CCCC[C@H]3OC)CC2)c1OC 19788296 GBGPSUOLCICWGQ-QZTJIDSGSA-N 348.487 2.779 0 50 EFAA COc1cc(OC)c(OC)cc1CN[C@H](C)[C@@H](O)c1ccccc1 19872108 BGXAAVCLMBIUIZ-BFUOFWGJSA-N 331.412 2.924 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 218894484 JFQDQWGIENCGKG-WIBUTAKZSA-N 349.434 2.604 0 50 EFAA COc1ccc(C(=O)NCCOc2ccccc2)c(OC)c1OC 2234292 CTXFHKSVRZCVQA-UHFFFAOYSA-N 331.368 2.521 0 50 EFAA Cc1cc2c(cc1C)N[C@@H](CC(=O)NCCc1ccccc1)C(=O)N2 2890077 VUDNGTUIZSPZDB-SFHVURJKSA-N 337.423 2.785 0 50 EFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(S(C)(=O)=O)o1 332144403 QNZVMCVSGTXGNF-GXTWGEPZSA-N 333.409 2.701 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1 126192247 ZSBILVHWALXLDS-KRWDZBQOSA-N 343.427 2.846 0 50 EFAA Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)n3)CC2)c1 354813467 ZASVAIUAYCBIII-QGZVFWFLSA-N 339.439 2.815 0 50 EFAA CCOc1ccc([C@H](COC)NC(=O)c2ccc3nccn3c2)cc1 253416775 XQFBDFLHUDLVDE-KRWDZBQOSA-N 339.395 2.851 0 50 EFAA O=C(O)COc1cccc(C(=O)NC[C@H]2CCCc3ccccc32)c1 262065986 DQXHGUUSVFWZFJ-MRXNPFEDSA-N 339.391 3.000 0 50 EFAA CCc1oc(C(=O)N2CCC[C@H]2c2cnn(C)c2C)cc1C(=O)O 375028604 YGQLUFDTCZXVJN-ZDUSSCGKSA-N 331.372 2.559 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)OC(=O)c2ccc3oc(O)nc3c2)C1 805654319 RHXZRFGLFPNIKI-TUAOUCFPSA-N 346.383 2.583 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907922146 DZKNOGTVLIWGIP-FSZOTQKASA-N 342.317 2.638 0 50 EFAA CCO[C@@H]1COC[C@H]1NC(=O)Nc1cccc(Oc2ccccc2)n1 934422843 COFKVHIMJXICGQ-HUUCEWRRSA-N 343.383 2.799 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1 863983897 MTTRCLXAYORBLR-MAUKXSAKSA-N 343.475 2.794 0 50 EFAA COc1nscc1[C@H](C)NC1CCN(c2cc(C)nc(C)n2)CC1 1875285444 NKBNUKCENJIJLN-LBPRGKRZSA-N 347.488 2.878 0 50 EFAA CN(Cc1nncs1)C1CCN(c2ncnc3ccccc23)CC1 1875271316 GGVJIRUZATZLKD-UHFFFAOYSA-N 340.456 2.582 0 50 EFAA Cn1cncc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1=O 1875293589 WEFZKBHZBAMWTP-UHFFFAOYSA-N 342.424 2.940 0 50 EFAA O=[S@@](CCCOc1ccc(F)cc1)Cc1ccn(CCF)n1 1875279342 SWUBKMIRMDMQCU-QFIPXVFZSA-N 328.384 2.710 0 50 EFAA CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 19732220 BRIYCJUKJVUICP-UHFFFAOYSA-N 337.634 2.800 0 50 EFAA CC(=O)Nc1ccccc1CC(=O)N1CCC[C@H](C2CCOCC2)C1 886154633 LCSUMTSUXPYFJB-SFHVURJKSA-N 344.455 2.853 0 50 EFAA CC(C)c1c(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cnn1-c1ccccn1 888099793 QZHJSHBXOGWCOV-BMFZPTHFSA-N 340.427 2.688 0 50 EFAA COc1cnc([C@H]2CCCN2C(=O)c2ccoc2C2CC2)nc1O 889788014 UTEMCJCTFGVBNN-GFCCVEGCSA-N 329.356 2.639 0 50 EFAA COc1cccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)c1 1775957365 QCCCYQNOAFTAGN-QFBILLFUSA-N 328.412 2.759 0 50 EFAA CN(C)CC1(C(=O)Nc2c(O)ccc(Br)c2F)CC1 1775999686 WHCNVDJVCYAUOB-UHFFFAOYSA-N 331.185 2.574 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)C2CC2)C1 1776002702 SHMJOADGAQNITJ-DZGCQCFKSA-N 336.819 2.950 0 50 EFAA C[C@]1(NCc2nc3ccc(Br)cc3o2)CCC[C@H]1O 2325798765 YOOVAGFBUQRBJA-OCCSQVGLSA-N 325.206 2.983 0 50 EFAA O=C(CC1(c2ccc(F)cc2)CNC1)NCc1cccc2ncccc12 2325857583 HLPSSSBZVGZWKO-UHFFFAOYSA-N 349.409 2.921 0 50 EFAA CC1CCC(CCn2nnnc2N2C[C@H]3CC(F)(F)[C@@H]3C2)CC1 2325860948 ZVZYIJXFCFCBPU-NWINJMCUSA-N 325.407 2.981 0 50 EFAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)OCO2 103647 AKTZPIWRTFIROJ-UHFFFAOYSA-N 327.262 2.578 0 50 EFAA CCSc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 187717 YGQBWNWSZKTVMD-UHFFFAOYSA-N 325.415 2.920 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 289832 WOOVPNOEAOLADY-UHFFFAOYSA-N 332.425 2.632 0 50 EFAA COc1ccc(C[C@H](NC=O)c2ccc(OC)c(OC)c2)cc1OC 332728 LNFPBETXSXYHCE-HNNXBMFYSA-N 345.395 2.751 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccccc2)c1 441560 NBQKUVWXESMSRU-UHFFFAOYSA-N 341.363 2.831 0 50 EFAA CC(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 468317 MNEALXXWXWIJOV-UHFFFAOYSA-N 332.425 2.727 0 50 EFAA COC[C@@H](C)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 4998747 WCZBECCMPJRJAN-NXEZZACHSA-N 345.226 2.815 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 412929995 ATSYFMWXQQDLIG-OAHLLOKOSA-N 331.391 2.758 0 50 EFAA Cc1[nH]ncc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225407526 KLIYHFXGROXSRA-IINYFYTJSA-N 339.317 2.685 0 50 EFAA CCN(CC)CCn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 102195122 YCRRAHNPBJUDKA-UHFFFAOYSA-N 337.423 2.644 0 50 EFAA CC(C)OCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C 55324984 MVHWTSMVLYCPAY-LSDHHAIUSA-N 326.481 2.639 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)CC[C@@H]1CCCCN1C 65495062 YKWQURMOFXNLJR-AWEZNQCLSA-N 332.473 2.914 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cncn1-c1ccc(F)cc1 248122864 KPEXMLJFEVCHNF-IAGOWNOFSA-N 342.418 2.710 0 50 EFAA Cn1nccc1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 20410632 YQSLKCBEACONDN-UHFFFAOYSA-N 334.423 2.531 0 50 EFAA COCC1(C(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)CCC1 65454127 GVYMJRJILXTALS-CQSZACIVSA-N 333.428 2.836 0 50 EFAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CC[C@@](C)(O)C1 252537733 MDYTXTCRJPBOKC-GOSISDBHSA-N 342.399 2.911 0 50 EFAA CCc1nc([C@H](C)NC[C@H]2CN(C)CCO2)oc1-c1ccccc1 124898037 XAZOXVGCNBOYEJ-HOCLYGCPSA-N 329.444 2.885 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1cnc2cc(F)c(F)cc2n1 328620614 HDFZKNIDWFBQNN-NHYWBVRUSA-N 331.326 2.584 0 50 EFAA CCn1cnnc1[C@H]1CN([C@@H](C)c2nc3ccccc3o2)CCO1 328634116 MMYSKCLHFFPQAS-SWLSCSKDSA-N 327.388 2.574 0 50 EFAA CN(C)c1ccc(CN2CCCC[C@@H]2CCN2CCCC2=O)cn1 77386245 AEXUVIDQGYKWKY-QGZVFWFLSA-N 330.476 2.515 0 50 EFAA CCC1(C(=O)OCC(=O)N(C)Cc2cccs2)CCC(O)CC1 253429388 NFAXPPLMVLEYBS-UHFFFAOYSA-N 339.457 2.581 0 50 EFAA CN(C)c1ccc(-n2ccnc2S[C@@H]2CCCCNC2=O)cc1 123580747 VWPXSDUNSJOMIQ-OAHLLOKOSA-N 330.457 2.699 0 50 EFAA CO[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 153636402 HSYCYTJHHRSRJL-KBXCAEBGSA-N 336.395 2.832 0 50 EFAA CCOCc1nc2c(c(N[C@@H](C)c3ccc(C)cn3)n1)CCNCC2 72418844 XQJIWPYCXZSHMJ-AWEZNQCLSA-N 341.459 2.578 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(C(F)(F)F)nc1 363398148 FFWNOVKULVEHSL-LBPRGKRZSA-N 340.305 2.728 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC2(CCOCC2)O1 365589440 VHBMDOPYHYWIRR-HNNXBMFYSA-N 342.439 2.897 0 50 EFAA COCCCN1CC[C@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 215065977 PEVNAXKEUAHAOT-OAHLLOKOSA-N 330.428 2.829 0 50 EFAA O=C(N[C@@H](c1cccnc1)c1cc2ccccc2o1)C1=COCCO1 369169586 FIODYXIZXOCAQM-SFHVURJKSA-N 336.347 2.922 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 239653702 BKUUMJOGNUEOFG-CBZIJGRNSA-N 330.428 2.939 0 50 EFAA CCc1nccn1CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71738487 VJGBNWUTZMLFST-OAHLLOKOSA-N 333.819 2.699 0 50 EFAA CC(C)(N)C(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 72143182 ZPWFQQOXYXJMKN-LBPRGKRZSA-N 342.361 2.864 0 50 EFAA CN1CC[C@H](NC(=O)c2cnns2)[C@H]1c1ccc(Cl)c(F)c1 241587897 OYARQWAAOPSMFP-WCQYABFASA-N 340.811 2.506 0 50 EFAA CCc1ccsc1C(=O)N1CCn2c(nnc2-c2cccnc2)C1 372027393 XHOWIYKWBYFWRG-UHFFFAOYSA-N 339.424 2.620 0 50 EFAA CN(C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1 241719809 QPUAENQZACQMPY-OAHLLOKOSA-N 333.407 2.763 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1c[nH]nc1-c1ccccc1 77504971 NGCNBXLVQMIQMJ-MRXNPFEDSA-N 340.427 2.550 0 50 EFAA C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1csc2ccccc12 285313087 ZCFHUBZCDATTNF-ONGXEEELSA-N 325.411 2.528 0 50 EFAA CC(C)(C)OC(=O)[C@](C)(O)CNCc1cncc(Cl)c1Cl 1365560532 UVNJXBXCDKZCTO-CQSZACIVSA-N 335.231 2.571 0 50 EFAA O=C(O)C1CCN(C(=O)NCC2(c3ccc(F)cc3F)CC2)CC1 263300456 WTVWMNQBFYZOOR-UHFFFAOYSA-N 338.354 2.503 0 50 EFAA COc1ccccc1N1CCN(C(=O)C2CCOCC2)CC1(C)C 82098323 ZCWCFPGSAZUHSC-UHFFFAOYSA-N 332.444 2.549 0 50 EFAA Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C 176281366 IJJYOVOROGMEQO-MLGOLLRUSA-N 345.447 2.602 0 50 EFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(C)nc2C)cc1 426517575 LIWGKTQMCZEXJB-CQSZACIVSA-N 339.439 2.962 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)c(OC)cc1C 220961335 RPGNAEDQMFXPGT-OAHLLOKOSA-N 334.441 2.668 0 50 EFAA C[C@H](C(=O)NCc1nc2ccccc2o1)c1nnc(O)c2ccccc12 426493914 CUCQXXMRFSLGQI-NSHDSACASA-N 348.362 2.897 0 50 EFAA 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347.411 2.570 0 50 EFAA O=C(NCCc1noc(-c2ccccc2)n1)c1ccc2c(c1)CCO2 220688634 GWXMKWUECDPEDE-UHFFFAOYSA-N 335.363 2.644 0 50 EFAA Cc1cnn([C@@H]2CCN(C(=O)c3ccc(-c4cc[nH]n4)s3)C2)c1 290887598 AIJMDURICUHJDU-GFCCVEGCSA-N 327.413 2.730 0 50 EFAA CN(C)c1ncc(CN2CCN(c3ccccc3Cl)CC2)cn1 222227155 UTMUEKKHPNIDAK-UHFFFAOYSA-N 331.851 2.518 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C)Sc2ccccc21 161623080 IQDKRSVPZXXBLR-NSHDSACASA-N 331.441 2.943 0 50 EFAA COc1cc(CNC(=O)N2CC[C@H](C)[C@H](C)C2)cc(OC)c1OC 179294725 DOOACWXVNZOSAJ-QWHCGFSZSA-N 336.432 2.900 0 50 EFAA CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 91820262 AEFDGKFWRRBZMP-MRXNPFEDSA-N 325.792 2.692 0 50 EFAA Cn1ccnc1C1CCN(CCC(=O)NC2CCCCCC2)CC1 91665233 PBZFMNOXANCXBT-UHFFFAOYSA-N 332.492 2.829 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91593756 VLLXZHWXDTZDSJ-INIZCTEOSA-N 340.807 2.754 0 50 EFAA COc1cc2c(cc1CN1CC[C@H](n3nc(C)cc3C)C1)OCO2 97528887 UDOHTCWCJFYPLI-HNNXBMFYSA-N 329.400 2.684 0 50 EFAA Cc1ccc2nc(Cn3cc(-c4nc(C)n5ccccc45)nn3)cn2c1 91586696 BZJFJJPKBCIERP-UHFFFAOYSA-N 343.394 2.906 0 50 EFAA CCCn1nc(C)c(NC(=O)N(CCO)Cc2cccs2)c1C 97259335 ANZUHMCIANSBDT-UHFFFAOYSA-N 336.461 2.998 0 50 EFAA CC[C@@H](C(=O)NCc1nn(C)c2cccc(Cl)c12)n1cccn1 91997138 RVYRCCZFTBURQB-ZDUSSCGKSA-N 331.807 2.691 0 50 EFAA CN(C)Cc1nc(C(=O)NCCCn2ccc3ccccc32)cs1 97307476 MTVHACVDCNQHFT-UHFFFAOYSA-N 342.468 2.980 0 50 EFAA COC[C@@](C)(NCCn1cnc2ccccc2c1=O)c1ccccc1 181105381 DVMBGASZIIEMCP-HXUWFJFHSA-N 337.423 2.548 0 50 EFAA CN(CC(=O)NCc1cccs1)Cc1ccc2nsnc2c1 244882663 XWAYAORCZLGKPG-UHFFFAOYSA-N 332.454 2.501 0 50 EFAA CN(CCC(=O)Nc1cccnc1)Cc1nc(-c2ccccc2)no1 244633623 GGDWKCCVMGLYOA-UHFFFAOYSA-N 337.383 2.592 0 50 EFAA CN1C(=O)[C@@]2(CCCN(C[C@H]3CC[C@@H](N)CC3)C2)c2ccccc21 243914752 BKIYSUMBOPLEQL-GQIGUUNPSA-N 327.472 2.514 0 50 EFAA C[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)[C@H](C)CO1 182471824 FBRILUVAOLMDGX-SJORKVTESA-N 345.487 2.717 0 50 EFAA Cc1csc([C@H](C)CNC(=O)Nc2ccc(-n3cccn3)nc2)n1 183979461 ZPYICGFSSMOWES-LLVKDONJSA-N 342.428 2.957 0 50 EFAA C[C@H](c1ccccc1)N(C)C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299743882 PUDCNYZRCNKSIO-DDBAPUKQSA-N 344.455 2.924 0 50 EFAA CC[C@H](CNC(=O)N(C)Cc1ccc2nonc2c1)N1CCCCC1 534671549 AZXAKFPPBNKNKC-OAHLLOKOSA-N 345.447 2.629 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)c2ccccc2N1 367487179 XGUNQIYWKCLADV-GOSISDBHSA-N 349.434 2.989 0 50 EFAA COc1ccc(C(=O)N[C@@H](c2ncccc2C)C2CC2)c(OC)n1 299797841 PLDOTNQFPWVQAQ-MRXNPFEDSA-N 327.384 2.683 0 50 EFAA O=C(NCCc1c[nH]cn1)Nc1cccc(NC(=O)C2CCCC2)c1 299791986 DUWSEZCPNIGMLV-UHFFFAOYSA-N 341.415 2.903 0 50 EFAA COc1cccc(Oc2ccc(NC(=O)[C@@H](C)n3cncn3)cn2)c1 824787992 RVFTUSTYLJRLPS-GFCCVEGCSA-N 339.355 2.674 0 50 EFAA O=C1C[C@@H](C(=O)NCc2c[nH]nc2-c2cccs2)C2(CCCC2)O1 952871856 DAEDPRYRSGEKHJ-LBPRGKRZSA-N 345.424 2.630 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C1 269211788 WIBRAGUGVZZIQO-MRVPVSSYSA-N 338.157 2.742 0 50 EFAA O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCO[C@]2(CCOC2)C1 186018705 RNBKAWFABQJWRX-GDBMZVCRSA-N 343.345 2.741 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)[C@H]3CCc4ccc(OC)cc43)c12 277698059 QBUVFYGVYIHTFA-LBPRGKRZSA-N 339.399 2.536 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 221870820 JVBWBTWBVFALQF-COPLHBTASA-N 334.420 2.502 0 50 EFAA CCOC(=O)N[C@H]1CCCN(c2cc(Br)ccn2)C1 170598836 DUJMWJOYNYMESE-NSHDSACASA-N 328.210 2.559 0 50 EFAA O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC1(Cl)Cl 170645150 NTHYXRIZSMGTMF-MWLCHTKSSA-N 342.144 2.747 0 50 EFAA C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@](C)(O)C1 188501320 VHIXAQSQALVRAK-IAQYHMDHSA-N 346.349 2.639 0 50 EFAA O=C(c1cc2nc[nH]c2cc1F)N1CCC([C@H]2CCCNC2)CC1 638401642 FLIUXGYVDPQDNU-ZDUSSCGKSA-N 330.407 2.554 0 50 EFAA O=S(=O)(CCO)c1ccc(NCc2ccc(F)c(Cl)c2)cc1 189677340 CMQOVVZICFOPEP-UHFFFAOYSA-N 343.807 2.857 0 50 EFAA CCc1nc(C2CCN(C(=O)Nc3c(F)cccc3OC)CC2)n[nH]1 190367561 BPCYEDWCHPJJKG-UHFFFAOYSA-N 347.394 2.926 0 50 EFAA O=C(O)c1cn(-c2cccc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)c2)nn1 652069832 ZVBUDXITSXOEKY-TYNCELHUSA-N 338.367 2.506 0 50 EFAA CNC(=O)[C@H](Cc1ccccc1)Sc1nnc(C2CCC2)n1C 195559441 HGFPOMUAURGACX-AWEZNQCLSA-N 330.457 2.532 0 50 EFAA Cc1ccc(CC2CN(C(=O)NCC3(CF)CCOCC3)C2)cc1 665027249 XKPVXYNSZOMDGR-UHFFFAOYSA-N 334.435 2.945 0 50 EFAA O=C1CCN(C[C@H]2CCOC2)CCN1Cc1cccc2ccccc12 1506407733 UKFGCSXVKCUEOE-QGZVFWFLSA-N 338.451 2.911 0 50 EFAA CC[C@]1(O)CCN(C(=O)C2c3ccccc3-c3ccccc32)C[C@@H]1O 222141754 IUDHHWRVEPMGCM-RXVVDRJESA-N 337.419 2.533 0 50 EFAA CC(C)c1cccc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704311549 BFYVUTYMHFYZTQ-UYAOXDASSA-N 330.472 2.729 0 50 EFAA CCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3O)nc21 4116897 YUTKBOZRAMTCPS-VXLYETTFSA-N 348.366 2.857 0 50 EFAA Cc1ccc(CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)nc1 1857731675 WRFGPKRCDQTSOE-SBHAEUEKSA-N 349.434 2.664 0 50 EFAA CC(C)[C@H](NC(=O)c1[nH]c2ccccc2c1Br)C(=O)O 225446315 HOKAAMBWRCKXLX-NSHDSACASA-N 339.189 2.769 0 50 EFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncc(F)cn1 328632166 RRFMSFHXRPMCJW-SECBINFHSA-N 329.301 2.530 0 50 EFAA COc1ccc(N[C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)cc1Cl 731357661 MNMUUIBVGKCVMJ-CQSZACIVSA-N 346.770 2.798 0 50 EFAA Cc1cc(Br)ccc1Cn1nnnc1C1CCOCC1 332005462 VZHFCNSBLDPLSG-UHFFFAOYSA-N 337.221 2.686 0 50 EFAA O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cncc(Br)c1 333146056 ZVGZDZTWNZQZTE-LLVKDONJSA-N 339.233 2.923 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 237647296 DTNMALGAOSZMEA-OAHLLOKOSA-N 336.438 2.737 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 237969362 RGCYOUQDTFFGHU-CQSZACIVSA-N 347.342 2.938 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)OCCO2 242302178 YQBZZTCSBSGOSX-JKSUJKDBSA-N 339.391 2.886 0 50 EFAA CC(C)C(=O)NCCCNC(=O)c1nc(-c2ccccc2)cs1 252497421 QHCXFXQVSUFMBX-UHFFFAOYSA-N 331.441 2.702 0 50 EFAA C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@@H](C)N1 154248436 GZSJESJDHPPZKS-TXEJJXNPSA-N 332.835 2.563 0 50 EFAA COc1ccncc1CNC(=O)N[C@H]1COc2cccc(Cl)c21 366612157 PZNWNPOZFVFLBZ-LBPRGKRZSA-N 333.775 2.677 0 50 EFAA CCn1cnc2c(N3CCN(Cc4ccccc4)C[C@H]3C)ncnc21 264961829 ZJAFLZOSHOBANL-OAHLLOKOSA-N 336.443 2.557 0 50 EFAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)[C@H](C)C2CCCC2)CC1 909818570 KUOYKBQNJWVEBK-GFCCVEGCSA-N 333.432 2.880 0 50 EFAA C[C@H](NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(CO)on1 925097959 SFQLJAWTLKHVDO-RTHLEPHNSA-N 331.199 2.858 0 50 EFAA CCc1cc(CC(=O)N2CCC[C@H](c3nc(C)cs3)C2)n(C)n1 933704683 SQKRQTXVQJLDCG-ZDUSSCGKSA-N 332.473 2.696 0 50 EFAA CC1(c2nnc(-c3ccccn3)o2)CN(C(=O)N[C@H]2CC=CCC2)C1 952890434 AIVIDTHXMIEOGA-ZDUSSCGKSA-N 339.399 2.523 0 50 EFAA COCCCC(=O)N=[S@@](C)(=O)c1ccccc1Br 952879473 RGRDQANXSWDZLZ-SFHVURJKSA-N 334.235 2.859 0 50 EFAA Cc1cc(O)nc(N2CCC(NC(=O)OCC3CCCCC3)CC2)n1 952877609 SPJHGFATWBJSMS-UHFFFAOYSA-N 348.447 2.766 0 50 EFAA CC(=O)c1[nH]c2ccccc2c1C(=O)N(C)C[C@@H]1CCCC[C@H]1O 1875278425 YOYDYONQLBZYTO-XJKSGUPXSA-N 328.412 2.994 0 50 EFAA O=C(NCc1cccnc1)C1CCN(c2c(F)cncc2Cl)CC1 1875286527 XILQKHYVUBSSDU-UHFFFAOYSA-N 348.809 2.802 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](CCO)C2CCCC2)cc1 1875373893 TVLOVFMWICBHFW-KRWDZBQOSA-N 330.428 2.506 0 50 EFAA CN(C)C/C=C/C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1875375490 FKLHVZSQWRXREF-NUCSPZLJSA-N 338.455 2.543 0 50 EFAA C[C@H](CC(=O)N1C[C@@H](O)[C@@H](O)C1(C)C)c1ccccc1C(F)(F)F 1875313769 TZSWVAKLZHTVDS-WDBKCZKBSA-N 345.361 2.542 0 50 EFAA COc1ccccc1[C@H]1CN(C(=O)c2ccc(CCF)cc2)CCN1 1875301966 ZMIDEZNFWUBGPS-GOSISDBHSA-N 342.414 2.994 0 50 EFAA C[C@@]1(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CCCOC1 891292657 LCSAHUZKZAQSIN-LJQANCHMSA-N 344.386 2.791 0 50 EFAA Cc1cnc2c(cnn2CC(=O)N2CCc3ccc(F)c(F)c3C2)c1 896818757 HHNSKKNNKOGHMA-UHFFFAOYSA-N 342.349 2.603 0 50 EFAA CN(c1nnc([C@H]2CCCOC2)n1CCc1cccnc1)C1CCC1 1401527571 TYBAEVDHIHGOPO-INIZCTEOSA-N 341.459 2.799 0 50 EFAA C[C@@H]1CCCN(C[C@@H](O)c2ccc(Br)cc2)[C@H]1CO 252512236 OJIMPFIRGYHUMJ-BYCMXARLSA-N 328.250 2.575 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@](C)(C(=O)O)C1(C)C 354916 TVQTWEZLNOFBGS-KZULUSFZSA-N 333.384 2.939 0 50 EFAA Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCO2)cc1C 6742844 WNCLDTVCIVDVPM-LLVKDONJSA-N 348.262 2.523 0 50 EFAA Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 19811603 PSCXELSJQDUZAO-IBGZPJMESA-N 326.440 2.557 0 50 EFAA C[C@@H](O)c1n[nH]c([C@@H](C)NC(=O)c2ccc(C3=CCCC3)cc2)n1 2325804131 WSVIWYMKEBZROG-VXGBXAGGSA-N 326.400 2.916 0 50 EFAA CC1CCN(C(=O)C(=O)N2CCC[C@@]2(C)Cc2cccs2)CC1 2325829460 KNTYMZPFNSDAMM-SFHVURJKSA-N 334.485 2.930 0 50 EFAA COc1ccc(-c2cc3nc[nH]c(=N[C@H]4CCOC4)c3s2)cc1 2325880119 VGDYEJHSCSQLGY-LBPRGKRZSA-N 327.409 2.990 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC[C@H](CC(N)=O)C2)n1 892775175 UCWSNIUOTYFYMZ-CQSZACIVSA-N 325.416 2.620 0 50 EFAA COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)NCC2 188134 BMPGEMONJGBRMN-SFHVURJKSA-N 329.396 2.956 0 50 EFAA COc1ccc(C)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 555102 XFYQGAZMHQFVEI-UHFFFAOYSA-N 348.424 2.652 0 50 EFAA COc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1OC 3908069 BWFWHBQXIJPVHV-UHFFFAOYSA-N 328.324 2.882 0 50 EFAA COc1ccccc1-c1nnc(SCC(=O)N2CCCCC2)o1 4834800 WQLNLERRFKINTP-UHFFFAOYSA-N 333.413 2.850 0 50 EFAA CCOC(=O)C1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 4856374 JDMGFSLNRSLXOF-UHFFFAOYSA-N 328.384 2.937 0 50 EFAA CC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1 4865930 RLDMLULGHIIDQE-UHFFFAOYSA-N 329.425 2.669 0 50 EFAA Cc1nc2ccccc2n1Cc1nnc2sc(-c3ccccn3)nn12 7464962 VWDLJSOXCXPLFI-UHFFFAOYSA-N 347.407 2.954 0 50 EFAA c1ccc2c(c1)ncn2CN1CCN(Cn2cnc3ccccc32)CC1 22017160 IPDHNRHKIJHHIR-UHFFFAOYSA-N 346.438 2.619 0 50 EFAA Cc1cnccc1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1074613576 RPEOFYCSKXYPET-MSOLQXFVSA-N 343.471 2.777 0 50 EFAA C[C@@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H]2CCCC[C@H]12 248032248 LNTZJLNNQXXJDM-IJLUTSLNSA-N 331.869 2.663 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)CN(C)C 67757600 AUAPMBXVLOLRMI-OAHLLOKOSA-N 327.428 2.996 0 50 EFAA COc1ccc(NC(C)(C)C(=O)N2CCC3(CCN(C)CC3)C2)cc1 65409717 WFIPPQIFAPLBFJ-UHFFFAOYSA-N 345.487 2.830 0 50 EFAA COc1cccc(F)c1C(=O)N(Cc1cccnc1)C(C)(C)CO 67982293 NCQYKKOLUBLAEF-UHFFFAOYSA-N 332.375 2.643 0 50 EFAA Cc1nc(C[C@H]2CCCN([C@H]3CCc4ccccc4NC3=O)C2)no1 248834493 JIDZICIIEPNZTO-PBHICJAKSA-N 340.427 2.586 0 50 EFAA O=C(NCc1csc2ccc(Cl)cc12)c1cc2n(n1)CCNC2 65394452 KIDBNMFYQHUWNN-UHFFFAOYSA-N 346.843 2.784 0 50 EFAA CCCCCn1nc(C(=O)N[C@H](C(N)=O)[C@@H](C)CC)c2ccccc21 97758836 QFGOKLQWEVQXAP-BBRMVZONSA-N 344.459 2.856 0 50 EFAA in-vitro C[C@@H]1SCCN(C(=O)CCCCNC(N)=O)[C@H]1c1ccccc1 118378515 KCPHWEVCVXOONX-XJKSGUPXSA-N 335.473 2.530 0 50 EFAA CC[C@H]1C=CCN1C(=O)c1cc(COc2ccccc2OC)[nH]n1 67878785 XDPGDJRFTUCZNV-AWEZNQCLSA-N 327.384 2.788 0 50 EFAA CC(C)C(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 67805885 SPAPOVXIFXZJRF-LSDHHAIUSA-N 336.819 2.570 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 65397726 RYNXAEUDACMUPL-KRWDZBQOSA-N 346.471 2.797 0 50 EFAA COc1ccccc1NC(=O)C1CCN(C(=O)c2cccn2C)CC1 121372962 DEPHYEUZVBMQGU-UHFFFAOYSA-N 341.411 2.525 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2 216489700 IPTWXPGQTUGMFC-OAHLLOKOSA-N 341.411 2.939 0 50 EFAA CCN1C[C@@H](Cn2ccnc2-c2cccc(Cn3cccn3)c2)CC1=O 71752716 CLEBUNNXSLHAGT-KRWDZBQOSA-N 349.438 2.663 0 50 EFAA CCN1CCN(Cc2cc(-c3ccccc3)on2)C[C@@H]1c1ncc[nH]1 328586755 ALUQZZMTJBBPGJ-QGZVFWFLSA-N 337.427 2.944 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 328640526 XKBAJIDSKQKOBU-MRXNPFEDSA-N 343.427 2.662 0 50 EFAA COc1ccccc1OC1CCN(C(=O)CCCn2cccn2)CC1 77485978 WOXGCVWCCROEQD-UHFFFAOYSA-N 343.427 2.742 0 50 EFAA CCCN1C[C@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)CC1=O 77343558 GBCQXAUSNYCVSJ-OAHLLOKOSA-N 339.439 2.901 0 50 EFAA CN1C[C@]2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O 72153290 IFGALXMWPRWVFA-HNNXBMFYSA-N 343.210 2.589 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 253396255 MPFXXTMQJUVFDV-RCCFBDPRSA-N 331.456 2.986 0 50 EFAA CC[C@H]1CN(CC2CCN(C)CC2)CCC(=O)N1Cc1ccccc1 71745393 VHQKLPALLBOTKU-FQEVSTJZSA-N 343.515 2.841 0 50 EFAA CSc1ncc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cn1 216166971 DRWCIIJJSBEUNB-UHFFFAOYSA-N 342.468 2.723 0 50 EFAA Cc1ccncc1C1=CCN(C(=O)[C@H]2CCCc3nn(C)cc32)CC1 366956601 VCHFNDVWEPNACC-INIZCTEOSA-N 336.439 2.859 0 50 EFAA Cc1ccccc1SCC(=O)N1CCC[C@@]2(CN(C)C(=O)O2)C1 72128186 WIDVBEPGDXGTKH-QGZVFWFLSA-N 334.441 2.530 0 50 EFAA O=C(OC[C@@H]1CCCCN1CCCn1ccnc1)N1CCCCC1 368608218 MLZDPRWCTKPDSN-KRWDZBQOSA-N 334.464 2.750 0 50 EFAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(-c2nnc(S)o2)cc1 156950912 UMRQDBHFVCKAJT-KGLIPLIRSA-N 345.424 2.713 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCc1csc(N)n1 77377466 UNZOCAJEJVUODX-AWEZNQCLSA-N 344.484 2.643 0 50 EFAA Cc1cccc2c1O[C@H](C(=O)N(C)Cc1c(C)nc3sccn13)C2 449841329 KJSRRCFEFUPMHT-HNNXBMFYSA-N 341.436 2.975 0 50 EFAA O[C@@]1(CN2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1 77458722 NTODVGPNXMJBAM-OAHLLOKOSA-N 329.366 2.528 0 50 EFAA COCc1nc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)no1 77353628 XFWJVNUKFFJHSV-ZDUSSCGKSA-N 341.371 2.603 0 50 EFAA O=C(O)c1cc(CN2CCO[C@@H](CCc3ccccc3)C2)ccc1O 71760261 GFSBZRDKMIIZEQ-KRWDZBQOSA-N 341.407 2.924 0 50 EFAA Cc1ccc2c(CC(=O)N3CC[C@@H](OC(=O)N(C)C)C3)coc2c1 496255731 NTWDJAIHTDUOJX-CQSZACIVSA-N 330.384 2.583 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 175864061 VQROPHQSRRBCEK-MLGOLLRUSA-N 344.463 2.628 0 50 EFAA O=C(c1cc(CO)ccn1)N1CCCC[C@H]1CCc1cccc(O)c1 223420115 BHIYBDHEJYNGAQ-KRWDZBQOSA-N 340.423 2.907 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)s2)C1 179010865 GQKOQLWHVQLJOH-GFAPAMAISA-N 329.263 2.592 0 50 EFAA CCc1ncnc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1F 179336103 GAIXVJAIEPWUOZ-CQSZACIVSA-N 328.391 2.639 0 50 EFAA Cc1[nH]cnc1CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91997503 KWJWHHNKFUSAFV-LJQANCHMSA-N 341.411 2.818 0 50 EFAA O=c1cc(CNC[C@@H](O)c2ccc(O)cc2)[nH]c2c(Cl)cccc12 91644813 HHSRCJBOUYJRIL-QGZVFWFLSA-N 344.798 2.710 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)CCn2nc(C)c(C)c2C)C1 91270553 XNYHKHZCFKFJJM-GOSISDBHSA-N 335.448 2.692 0 50 EFAA c1ccc(CCn2nc([C@@H]3CCOC3)nc2CN2CCCC2)cc1 97492431 ZRSDUZWFYURQBJ-QGZVFWFLSA-N 326.444 2.621 0 50 EFAA CCc1nccn1CCC(=O)NC[C@@H]1CCOc2ccccc2C1 95358315 FJXZYSMXBIIXSS-OAHLLOKOSA-N 327.428 2.593 0 50 EFAA CN1CCN(C(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)CC1 253408855 LDNPSGOUTPLXPB-QGZVFWFLSA-N 331.847 2.895 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](N)C2)c2cnn(C(C)C)c2n1 299739718 AGWSHMLANCUOGR-ZDUSSCGKSA-N 329.448 2.699 0 50 EFAA CC[C@@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1cnn(C)c1 534663412 WDIHFJXTWRJFJP-CQSZACIVSA-N 332.452 2.733 0 50 EFAA CSc1ccc(-c2ccc(C(=O)N3CCOC[C@@H]3CO)cc2)cc1 299790172 APFPJFVAOMYMBS-KRWDZBQOSA-N 343.448 2.909 0 50 EFAA CCCCCc1ccc(NC(=O)N2CC[C@H](N(C)C)[C@@H](O)C2)cc1 299802026 ZXPMQJWVEXFKRM-ROUUACIJSA-N 333.476 2.948 0 50 EFAA CN(C)C(=O)CCc1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 584884881 AWDFKGNAJFQMSG-UHFFFAOYSA-N 330.432 2.702 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(OC)ccn2)cc1 584900567 UGLDDGBKQOYHGN-KRWDZBQOSA-N 339.439 2.971 0 50 EFAA Cc1cccc(OC2CN(c3ccc(C(=O)N4CCCC4)cn3)C2)c1 670459598 UTXULZGUAAXVIH-UHFFFAOYSA-N 337.423 2.894 0 50 EFAA Cc1cc(O)nc(N2CCC[C@H](Nc3ncnc4ccsc34)C2)n1 1336710530 JRRNGSOBDFFCHC-NSHDSACASA-N 342.428 2.576 0 50 EFAA Cc1nc(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C)o1 685942300 HVSRYFOKWRQBMY-UGSOOPFHSA-N 342.399 2.746 0 50 EFAA O=C(c1nc[nH]c1C(F)(F)F)N1CCN(C2CCCCC2)CC1 1433834753 ZBCIBCSVRHAFEX-UHFFFAOYSA-N 330.354 2.519 0 50 EFAA CN1CCCN(CC(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 952873943 SGEBMSAEJHEBDP-HXUWFJFHSA-N 343.515 2.638 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCCOc2ccccc2)nn1 276327622 QHAFNXJFJNCUCE-DLBZAZTESA-N 344.459 2.658 0 50 EFAA C[C@H]1CN(Cc2ccccc2CNc2ncc(F)cn2)C[C@H](C)O1 301760732 FYOWPWWFIKFTBU-KBPBESRZSA-N 330.407 2.837 0 50 EFAA Cc1c(C(=O)NC2CC(F)(F)C2)nnn1-c1ccc(F)c(Cl)c1 276935909 AXDZCFWTVARTLB-UHFFFAOYSA-N 344.724 2.896 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N1C[C@H](O)Cc2ccccc21 278828416 IDMFSBDJDIRZDL-CZUORRHYSA-N 331.437 2.575 0 50 EFAA Cc1nccc(N2CCN(Cc3ncc(C(F)(F)F)s3)CC2)n1 279346304 FPLSTQYELZGRGQ-UHFFFAOYSA-N 343.378 2.583 0 50 EFAA CC(C)[C@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N1CCCCC1 171485200 ATDYGWGXDCCILR-GOSISDBHSA-N 341.459 2.775 0 50 EFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc3sccc3[nH]1)CC2 192161381 JALUAYATIPEPNA-JTQLQIEISA-N 329.429 2.689 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CCc1cncn1C 193233343 IJCUDTFFOWAFMH-CXAGYDPISA-N 347.846 2.995 0 50 EFAA Cc1ccc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(C)c1 195503706 FBKRLSJGIYLQFW-UHFFFAOYSA-N 326.444 2.855 0 50 EFAA FC(F)(F)c1cc(N[C@H]2CCCN3CCCC[C@H]23)n2ncnc2n1 656225120 DJEBNCPEVLTKIZ-WDEREUQCSA-N 340.353 2.572 0 50 EFAA C[C@H]1CN(c2ccccc2CN2CCCc3n[nH]cc3C2)CCO1 668840736 DSZPUISQCYECMD-HNNXBMFYSA-N 326.444 2.583 0 50 EFAA COc1ccnc(C(=O)N[C@@H](CC(=O)O)c2cccc(Cl)c2)c1 761895203 BDLFFDIZQHYDSV-ZDUSSCGKSA-N 334.759 2.689 0 50 EFAA C[S@](=O)C[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775758364 QFSDVQYBDAQLOM-PEBXRYMYSA-N 337.828 2.895 0 50 EFAA c1cncc([C@H]2c3[nH]cnc3CCN2Cc2cn3ccccc3n2)c1 1529199184 XXFZJRBLTMSJDJ-IBGZPJMESA-N 330.395 2.600 0 50 EFAA CN(C)CCc1nnc(NC(=O)C2=Cc3ccccc3OC=C2)s1 1529167385 LCDVMTSIYQQFQN-UHFFFAOYSA-N 342.424 2.570 0 50 EFAA CC(C)c1ccc(CCCC(=O)N(CCO)Cc2cncn2C)cc1 1704304280 CDPSTCWJARZJPZ-UHFFFAOYSA-N 343.471 2.887 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1nc(-c2ccccc2)nc2c1CCC2 1772705993 LKZMHSQMGXZLBF-ZBFHGGJFSA-N 348.450 2.832 0 50 EFAA O=c1c(Cc2ccccc2)c(O)ccn1Cc1ccc2c(c1)OCO2 5769220 HRFKBEFEAUPROH-UHFFFAOYSA-N 335.359 2.922 0 50 EFAA COC(=O)c1c(NC(=O)/C=C(\C)C(=O)O)sc2c1CCCCC2 5827750 LDVWOVYAKQCNEG-CMDGGOBGSA-N 337.397 2.773 0 50 EFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3nonc3C)C2)cc1 12457138 BOLHEDNHYBCNRW-CYBMUJFWSA-N 345.424 2.835 0 50 EFAA COCc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)o1 15067865 BTAJWRKJSRDMLA-HNNXBMFYSA-N 346.402 2.960 0 50 EFAA Cc1ccc(CN2CC[C@H](N(C)Cc3ccon3)CCC2=O)cc1 19770830 HSLNAPAIQTTZCR-GOSISDBHSA-N 327.428 2.996 0 50 EFAA O=C([C@H]1CCCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 159609122 PASFBGNCCFKDOT-OAHLLOKOSA-N 342.361 2.923 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ccncc2Cl)CC1 408474333 QKIYFNBAXULPKY-CJNGLKHVSA-N 337.851 2.589 0 50 EFAA Cc1cc(C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328618563 DWHFDOZXNHYJCG-JTQLQIEISA-N 342.321 2.533 0 50 EFAA COc1cc(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)c(C(N)=O)cc1OC 253395264 VXILYRPTLONIKX-NXEZZACHSA-N 344.367 2.771 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cn1 253392847 ILHXYHUQUMDRFB-VGPLMAKISA-N 348.248 2.888 0 50 EFAA O=C(NCc1ccc(Cl)s1)N[C@@H]1CCO[C@@]2(CCOC2)C1 253422906 IDHFZHPWSSRVST-YGRLFVJLSA-N 330.837 2.539 0 50 EFAA Cc1ccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)c(C)n1 152267211 NVBNVIZBIFHCBB-UHFFFAOYSA-N 326.400 2.758 0 50 EFAA Cc1nc2n(n1)C[C@H](c1nc(C3(c4ccccc4F)CC3)no1)CC2 817100501 DQDVRTBUZAWYNK-GFCCVEGCSA-N 339.374 2.919 0 50 EFAA O=C1CCCN1C[C@@H]1CCCCN1C(=O)c1ccc2scnc2c1 932524683 NZJCQZQGCLPHHQ-AWEZNQCLSA-N 343.452 2.913 0 50 EFAA C[C@H]1CN(c2ccc3nnc(C(F)F)n3n2)CCN1C1CCCC1 952993892 LFOBPGAJADLZLF-NSHDSACASA-N 336.390 2.515 0 50 EFAA CCCN1C[C@@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 1875266059 LBXIUYZVWHYSFY-STQMWFEESA-N 342.395 2.541 0 50 EFAA CC(C)CNC(C)(C)c1cn([C@@H]2CCc3ccccc3NC2=O)nn1 1875304417 JUCQUKIYHJCVIN-MRXNPFEDSA-N 341.459 2.885 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2ccn(Cc3ccccc3)n2)cc1 1875326659 RPLUGLOCRIKZCQ-UHFFFAOYSA-N 327.409 2.970 0 50 EFAA CO[C@@H]1CCN(C[C@]2(C)CN(Cc3ccccc3)C2=O)CC1(C)C 1875367546 MMWYGWNNRGMNAQ-YLJYHZDGSA-N 330.472 2.782 0 50 EFAA CC(C)c1ccc(-n2cc(C3(F)CN(C(=O)[C@H]4C[C@H]4F)C3)nn2)cc1 1875353766 FSQJVBSDOQSTDN-LSDHHAIUSA-N 346.381 2.756 0 50 EFAA CSc1cncc(C(=O)N2Cc3cccc(F)c3C[C@@H]2C(=O)O)c1 1875341723 DZVJQMPKXROUEU-OAHLLOKOSA-N 346.383 2.594 0 50 EFAA O=C(c1cnc(-c2ccco2)s1)N1CCC2(CC1)C[C@H](O)CCO2 886112738 FJZZSMNYSGPMBV-GFCCVEGCSA-N 348.424 2.549 0 50 EFAA COc1cc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(F)cn1 888078101 OQWSBTDGXRONMM-NVGCLXPQSA-N 334.395 2.771 0 50 EFAA Cn1c(CN[C@H]2CCO[C@@H]2c2cc[nH]n2)nc2cc(Cl)ccc21 1775959319 PCRSOLCLHSPFGI-ZBEGNZNMSA-N 331.807 2.570 0 50 EFAA C[C@H](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775992491 TVDLNSJXKNGTDJ-HZPDHXFCSA-N 336.480 2.898 0 50 EFAA O=C(NC1CC(Cn2ccnn2)C1)c1ccc(Oc2cccnc2)cc1 1775988996 YACLPAFCZZYJCO-UHFFFAOYSA-N 349.394 2.674 0 50 EFAA Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1 4784790 AERIONKKSUDYPZ-UHFFFAOYSA-N 349.365 2.976 0 50 EFAA Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 6742842 WNCLDTVCIVDVPM-NSHDSACASA-N 348.262 2.523 0 50 EFAA CC(C)n1cc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C(=O)O)c2ccccc2)cn1 2325780220 QIQOONQQYXUGPS-FRQCXROJSA-N 341.411 2.684 0 50 EFAA OCc1cc(Br)c[nH]c1=NCc1conc1C1CCC1 2325780614 AWLWBEGYBBSFOW-UHFFFAOYSA-N 338.205 2.626 0 50 EFAA CC1(C)CO[C@H](CC(=O)O)CN1Cc1ccnn1C1CCCCC1 2325788197 SBFLAWGIVGJOAC-MRXNPFEDSA-N 335.448 2.842 0 50 EFAA Cc1[nH]nc2c1CN(C(=O)N=c1[nH]nc(C3CCCCC3)s1)CC2 2325798186 TUMXAJJANKAVTF-UHFFFAOYSA-N 346.460 2.629 0 50 EFAA COC(=O)C1=C[C@H](N[C@H](Cn2ccnc2)c2ccccc2)CCC1 2325803748 ZDRXGAFTHWCOOM-QZTJIDSGSA-N 325.412 2.866 0 50 EFAA O=C(C[C@H]1COCCN1Cc1ccc(CO)cc1)c1cccs1 119556472 PEFXAKLEBSIEHN-INIZCTEOSA-N 331.437 2.714 0 50 EFAA CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1 53358 DOCCWKXHKUPPOV-UHFFFAOYSA-N 330.409 2.846 0 50 EFAA COc1ccc(N2C(=O)C(Cl)=C(N3CCC[C@@H](C)C3)C2=O)cc1 90631 PXGIAWSSFXNWBW-LLVKDONJSA-N 334.803 2.751 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)cc1 462006 XJCGEHCVDHKICU-UHFFFAOYSA-N 333.315 2.882 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ocnc3C)CC1)OCC2 2356144371 UTLGYQWBCJJIAL-UHFFFAOYSA-N 342.395 2.696 0 50 EFAA Cc1cc(C)c2c(NCc3ccc(S(N)(=O)=O)cc3)nsc2n1 2356149148 MNAWOBKPVWPLHB-UHFFFAOYSA-N 348.453 2.568 0 50 EFAA O=C(c1cc(O)nc2cc(F)ccc12)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356156416 ATZOFDLGKWCUNC-ITGUQSILSA-N 330.359 2.598 0 50 EFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)CCc2cccc(O)c2)C1=O 2356164758 GBNIQKNCDBSEIT-HXUWFJFHSA-N 344.455 2.717 0 50 EFAA CCn1[nH]c(C)nc1=NC(=O)c1ccc(-c2csc(C)n2)cc1 412862139 QMHPATYFXQLRHU-UHFFFAOYSA-N 327.413 2.713 0 50 EFAA O=C(C[C@H]1COCCN1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 225386382 HHEUZBQIMJIRKB-AZUAARDMSA-N 343.398 2.833 0 50 EFAA CN(CCc1nccs1)C(=O)Nc1cccc(OCC(F)F)n1 133632238 SUERJFLNSBPBQU-UHFFFAOYSA-N 342.371 2.888 0 50 EFAA CCn1c([C@H]2CCCN(c3nc4ccccc4s3)C2)nn(C)c1=O 67840791 FZJFXZLZDIIGNW-LBPRGKRZSA-N 343.456 2.595 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348246694 QBYHPKHAYQWAPQ-IRXDYDNUSA-N 347.361 2.850 0 50 EFAA COC(=O)[C@H](c1ccccc1)N1CCC(O)(c2ccc(C)cn2)CC1 67675026 TWDMWXQRZXXBJU-SFHVURJKSA-N 340.423 2.588 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1Cc1ccccc1 20515961 QIOZBXNZKNJFFV-MRXNPFEDSA-N 346.789 2.662 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccccc3C)C[C@H]2CCO)o1 22909923 QBKLPOSQEITNNA-LJQANCHMSA-N 328.456 2.965 0 50 EFAA CS(=O)(=O)CCn1cnc(-c2ccccc2)c1-c1nccs1 65374761 KWOTYCQWIAZHIL-UHFFFAOYSA-N 333.438 2.718 0 50 EFAA CCC1=NO[C@H](C(=O)NCc2cccnc2Oc2ccc(C)nc2)C1 67604627 HQBPMCBCNDUIEI-INIZCTEOSA-N 340.383 2.748 0 50 EFAA CC1=CCC[C@@H](C)[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1 252519009 AQQDEGWMFORTGX-WBVHZDCISA-N 328.460 2.663 0 50 EFAA CCCC(=O)N1CCC(NCc2nc(C3CCCCC3)no2)CC1 67869162 PKHYVAUUQPZCAG-UHFFFAOYSA-N 334.464 2.998 0 50 EFAA COc1ncc(CN2CCc3[nH]cnc3[C@H]2CCc2ccccc2)cn1 67561565 AMBZZWZYOTTWCI-GOSISDBHSA-N 349.438 2.941 0 50 EFAA Cc1cc(C)n([C@H](C)C(=O)N2CCN(Cc3ccccc3C)CC2)n1 77286027 KIQPMLNJRVSLMS-GOSISDBHSA-N 340.471 2.714 0 50 EFAA C=CC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 328598119 KBJHHDNOSFKZEH-QGZVFWFLSA-N 341.411 2.584 0 50 EFAA COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1 328591964 ILNNRLHYFYTJBN-ZDUSSCGKSA-N 343.379 2.817 0 50 EFAA CC(C)(C(=O)N1CCC(NC(=O)C2CC2)CC1)c1cccc(F)c1 172412668 UXVFTJSYUCGKHZ-UHFFFAOYSA-N 332.419 2.621 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1 188980123 NEOXFZOORXOYEW-CRAIPNDOSA-N 346.377 2.849 0 50 EFAA CC1(C)C(O)=N[C@H]1C1CCN(C(=O)c2cc(O)nc(C3CC3)c2)CC1 329484815 WWISCNIEQIRUFZ-INIZCTEOSA-N 343.427 2.882 0 50 EFAA COc1ccsc1S(=O)(=O)Nc1cccc2c1OCCC2 253429305 CQSGGTKZWKLLQW-UHFFFAOYSA-N 325.411 2.883 0 50 EFAA C[C@H](CCc1ccccc1)N1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 257366091 IPJZVRAZCRZVNL-MDYRTPRTSA-N 343.471 2.660 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1C 332491740 XEWBSSZIVITLBE-CQSZACIVSA-N 340.427 2.652 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCO[C@H](CCCC(C)C)C1 71589453 ZPKDFWYRRDRFKN-GFCCVEGCSA-N 325.478 2.955 0 50 EFAA COC(=O)C1=NOC2(CCN(C(=O)[C@H]3C[C@@H]3C3CCCCC3)CC2)C1 155919262 KFHPKOKAVQTQND-CABCVRRESA-N 348.443 2.513 0 50 EFAA O=C(Nc1ccncc1F)[C@@H]1CCCN1c1ncnc2sccc12 156489949 KXQWBDMJDVEPCP-ZDUSSCGKSA-N 343.387 2.833 0 50 EFAA Cn1cc(N2CCC[C@H](NC(=O)c3cccc(Cl)c3F)C2)cn1 156551385 UWPIQNBTJWSADX-NSHDSACASA-N 336.798 2.611 0 50 EFAA CC[C@H]1c2ccsc2CCN1C(=O)CN(CC(=O)O)[C@H](C)CC 237075776 RNLKWDIGHTUXAR-OCCSQVGLSA-N 338.473 2.769 0 50 EFAA O=C(NCc1ccccc1CN1CCCC1)N[C@H]1CCO[C@@H]1C1CC1 371216493 SWZFOXPNALJIAG-RBUKOAKNSA-N 343.471 2.649 0 50 EFAA C[C@@H]1CCCN(C(=O)c2cnc(Cc3ccccc3)s2)[C@@H]1CN 237450841 NLJWEKHHESJCCH-UKRRQHHQSA-N 329.469 2.933 0 50 EFAA COc1c(C)cc(S(=O)(=O)NCc2nc(C)c(C)s2)cc1C 173227948 YELKNTXJNBQBAK-UHFFFAOYSA-N 340.470 2.864 0 50 EFAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CCN(c2ccccc2)CC1 285643822 LBKDHCDVAMHWOU-IEBWSBKVSA-N 329.488 2.938 0 50 EFAA CC(C)n1cc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2CO)cn1 284724010 WFURGCIFRIPMFA-HOTGVXAUSA-N 335.398 2.950 0 50 EFAA CCCC(=O)NC[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 130774475 XGAULZCOZIACLH-CQSZACIVSA-N 334.464 2.610 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 263315326 HLYLYMVTTTVYIH-CQSZACIVSA-N 331.393 2.589 0 50 EFAA O=C(NCC1(C(=O)O)CCCCC1)c1cccc([C@@H]2CCOC2)c1 263324832 KBPIDIVKIPIVLQ-MRXNPFEDSA-N 331.412 2.955 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ncccc2N)cc1 426490137 FPFOWSHMWVYCOY-MRXNPFEDSA-N 325.412 2.972 0 50 EFAA Cc1nc2nc(CN3C[C@H](c4ccccc4)C(C)(C)C3)cc(O)n2n1 426549910 KHFNQBUCBNDVJL-MRXNPFEDSA-N 337.427 2.764 0 50 EFAA CCc1ccccc1OC1CN(C(=O)NCC[C@H]2CCCN2C)C1 426388047 VCDDFKHRMZGLDH-MRXNPFEDSA-N 331.460 2.506 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CC(Oc2ccccc2Cl)C1 91289630 GMTQVLPDSHDZHJ-UHFFFAOYSA-N 346.814 2.559 0 50 EFAA CN(C)C(=O)CCc1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1 96163682 BTYHIBDLFHDTSW-MRXNPFEDSA-N 347.459 2.646 0 50 EFAA CNC(=O)COc1ccccc1C[C@H]1COc2c(cccc2OC)C1 95370928 RZJCPAGZIOHRNI-CQSZACIVSA-N 341.407 2.614 0 50 EFAA Nc1ncccc1CN1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91474032 JLSABERPGIFSCH-OXQOHEQNSA-N 348.494 2.727 0 50 EFAA O=C([C@H](O)c1ccccc1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95525373 CFRJSAXLWFRROO-GOSISDBHSA-N 333.391 2.695 0 50 EFAA COc1c[nH]c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1=O 97744853 BXJIKQRIHMRYSB-LBPRGKRZSA-N 326.396 2.753 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nccn3CC(N)=O)C2)nc2ccccc12 95525528 PLMDMHZDWRLSEN-OAHLLOKOSA-N 349.438 2.609 0 50 EFAA COC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCC1 180950982 ACAVFFCBJNJAEG-UHFFFAOYSA-N 327.384 2.913 0 50 EFAA Cc1noc(CCN2CC(O)=C(c3nc4ccccc4s3)C2=N)n1 252536773 JOFBWTZBCSLSTH-UHFFFAOYSA-N 341.396 2.792 0 50 EFAA CCCc1cc(NC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)n(C)n1 181945560 AUDFZQSYXVKJME-ZDUSSCGKSA-N 336.436 2.711 0 50 EFAA Cc1cnc(CS(=O)(=O)c2nnc(Nc3ccccc3)s2)o1 253417848 GYKBFGUKWVCXKB-UHFFFAOYSA-N 336.398 2.552 0 50 EFAA O=C(CN1CCOc2ccccc2C1)N1CCc2sccc2C1 613565253 DNYJCIGRXULVHZ-UHFFFAOYSA-N 328.437 2.527 0 50 EFAA CCn1nccc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CC1 274492183 QFXLZEJHDKRJSC-UHFFFAOYSA-N 339.848 2.567 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)o1 292473005 PYWKAZSZMSFVQS-ZDUSSCGKSA-N 339.399 2.608 0 50 EFAA O=C(NCCc1ccccn1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299794608 KNZPUFCSWOABHL-ZCNNSNEGSA-N 335.451 2.966 0 50 EFAA Cn1c(CCNC(=O)Nc2ccc(C3CCCCC3)cc2)n[nH]c1=O 299784018 NXXXSMLJBUIWKO-UHFFFAOYSA-N 343.431 2.520 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)nc(C)n1 825264422 GVPPMAZNPQTMGV-AWEZNQCLSA-N 330.457 2.549 0 50 EFAA Cc1cc(=O)c(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cn1C 575997555 KIAVFHZPMZMZKA-INIZCTEOSA-N 342.395 2.504 0 50 EFAA COc1ccc(Cc2nc([C@@H](C)CN3CCCC3)n[nH]2)cc1OC 824603772 JJIYFVWMWQNFBO-ZDUSSCGKSA-N 330.432 2.612 0 50 EFAA CC[C@@H](NC(=O)C1CCN(C2CCOCC2)CC1)c1ccncc1 584893201 FPXUWGOVELTYPN-GOSISDBHSA-N 331.460 2.540 0 50 EFAA Cc1[nH]c2c(c1C(=O)NCc1ccc3nsnc3c1)C(=O)CCC2 670450766 WLIGHMCRORYWLY-UHFFFAOYSA-N 340.408 2.777 0 50 EFAA COCc1nc(CN2CCCC2)n(-c2ccc3nc(C)sc3c2)n1 670434609 ORDCWIOBAOTSFG-UHFFFAOYSA-N 343.456 2.928 0 50 EFAA CC(=O)c1ccc(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)s1 952979535 UDOIGLMRAYORKW-ZDUSSCGKSA-N 348.468 2.814 0 50 EFAA COCCc1noc(CN(C)C2CCN(c3cccc(C)c3)CC2)n1 952984653 LJCSMOZRSWBMBJ-UHFFFAOYSA-N 344.459 2.668 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(S(=O)(=O)N(C)C(C)C)C2)cc1 952970214 JWTXILYHFKCIJK-MRXNPFEDSA-N 340.489 2.671 0 50 EFAA COC1(OC)CCOC[C@@H]1CCNCc1ccc(SC)cc1 1474271474 QSCMMZRVORMVEB-HNNXBMFYSA-N 325.474 2.914 0 50 EFAA Cc1c(Br)ccc(NC(=O)N2C[C@@H](O)C[C@@H]2C)c1F 408392983 KSFUGCORSBGVAU-CBAPKCEASA-N 331.185 2.884 0 50 EFAA CCc1nnc(CN2CCN(c3cccc(Cl)c3)C[C@H]2C)n1C 408518804 BNKZKNQXMRXNPJ-CYBMUJFWSA-N 333.867 2.742 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(C)(C)c2cccs2)C1 189078729 BXQSSQIBOLASDV-NWDGAFQWSA-N 335.429 2.706 0 50 EFAA COC(=O)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C[C@H]1C 190626095 KQEGYCUDKVERBW-CJNGLKHVSA-N 336.407 2.599 0 50 EFAA CN(Cc1ccncc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O 191751828 NOJAQKZVROUPBS-QGZVFWFLSA-N 329.831 2.968 0 50 EFAA COc1ncncc1NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 192326834 SCRCYJIYRLNJPK-JTQLQIEISA-N 332.326 2.928 0 50 EFAA CCc1nnc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)o1 193199318 JZSIEGAJQBIUDN-ZDUSSCGKSA-N 338.452 2.805 0 50 EFAA CCO[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1ccccc1 193899078 FGCKMESXHCGPAO-MRXNPFEDSA-N 337.383 2.593 0 50 EFAA O=C1C[C@H](C(=O)NC[C@@H]2CCc3ccccc3C2)[C@H]2CCCC[C@@H]2N1 668860902 TVJLSIUOCJTCOL-OAOYMFHYSA-N 340.467 2.603 0 50 EFAA CCc1cc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)n[nH]1 765994599 PRQNFRBBEUPJDE-LLVKDONJSA-N 328.395 2.851 0 50 EFAA OC[C@@]1(NCc2nnc(-c3cccc(F)c3)o2)CCc2ccccc21 766250161 KFSILQYBXRQKAY-IBGZPJMESA-N 339.370 2.799 0 50 EFAA COc1cc(C)nc(N2CCC(O)(Cc3cccc(F)c3)CC2)n1 770222279 IUGKOOPOPUUTLO-UHFFFAOYSA-N 331.391 2.507 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615737397 WDXARGNCNFLGJF-ROUUACIJSA-N 348.874 2.594 0 50 EFAA O=C1CCN(C[C@H]2CCOC2)CCN1CCCCc1ccccc1 1506401268 PVDMDFRYBHNPMX-LJQANCHMSA-N 330.472 2.580 0 50 EFAA O=C(c1ccc(Br)cc1C(F)(F)F)N1CCNCC1 226669903 FIZVHJJNDJWLFP-UHFFFAOYSA-N 337.139 2.513 0 50 EFAA Cc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 3471455 AQPFJTVMYYRFAH-NSHDSACASA-N 347.367 2.920 0 50 EFAA biogenic CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(F)(F)F)cc1 1704340263 RUWLXKMKVPTECA-UHFFFAOYSA-N 340.349 2.633 0 50 EFAA COc1cccc([C@H]2CCN(c3ncc(C(C)=O)c(C)n3)C2)c1OC 1704313657 LSBJKEQOZRQZHM-AWEZNQCLSA-N 341.411 2.999 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(F)cc2Cl)C[C@@H]1O 1704304448 FVTKBXSCYYYDFL-HOCLYGCPSA-N 329.799 2.917 0 50 EFAA O=C1C[C@@H]2CN(Cc3ccccc3OCc3ccccc3)C[C@@H]2CN1 1800410563 VKQINADWGBXDSM-MOPGFXCFSA-N 336.435 2.834 0 50 EFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1 5059785 XNZAWPLSAIQBPO-ZWNOBZJWSA-N 328.206 2.512 0 50 EFAA O=C(O)CC1(NC(=O)c2ncccc2Br)CCCCC1 231757163 CDXMVNPHEMBCGJ-UHFFFAOYSA-N 341.205 2.752 0 50 EFAA O=C1CCCCN1c1ccc(S(=O)(=O)NC2CCCCC2)cc1 12002153 VNDQBGDGIGDRPR-UHFFFAOYSA-N 336.457 2.815 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)cc1 12076271 BKLPGPZMNPHXON-QGZVFWFLSA-N 342.439 2.943 0 50 EFAA Cc1cccc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 12298646 PENQQVVLHWUCIL-HXUWFJFHSA-N 343.471 2.891 0 50 EFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc(Cl)c2)s1 12379809 IJERLYQSIYYTRJ-UHFFFAOYSA-N 331.806 2.556 0 50 EFAA Cc1ccnn1CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212523499 RSEHVEBAAMVECO-UXHICEINSA-N 349.434 2.722 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225678294 QDVOLECOEYSWJM-WMLDXEAASA-N 346.402 2.816 0 50 EFAA COc1cc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)ccc1C(=O)O 237320017 NQOPZKRFILXVIQ-HOTGVXAUSA-N 343.354 2.952 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 237389275 YRPOUWCHANMINC-IUODEOHRSA-N 331.391 2.752 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cc(F)cc2[nH]cnc12)c1cccs1 238161736 KUCOPZJGSTUDLX-SNVBAGLBSA-N 333.344 2.709 0 50 EFAA CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)c1cccc(Cl)c1 241816010 SEWGCOZXHISKGV-KRWDZBQOSA-N 346.814 2.770 0 50 EFAA CC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1cccc(Cl)c1 338262619 QXEYEBOEABGCAY-CYBMUJFWSA-N 330.775 2.969 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)no1 456645183 ISJRYQSIQGKKDY-LLVKDONJSA-N 333.354 2.754 0 50 EFAA O=C(O)c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 262419867 CLMNSPQNYBXGNR-GJZGRUSLSA-N 339.347 2.898 0 50 EFAA COc1ccc(N(C(=O)[C@H]2CCc3nc(C)nn3C2)C(C)C)cc1F 903052414 MTXGBRHMSIWIER-ZDUSSCGKSA-N 346.406 2.738 0 50 EFAA CCS(=O)(=O)c1ccccc1CC(=O)Nc1c(C)ccnc1C 905434448 IETAJPSTMMHOQP-UHFFFAOYSA-N 332.425 2.673 0 50 EFAA CCc1nc(-c2ccc(C(=O)NC[C@]3(C)CCCCO3)cc2)n[nH]1 832482812 KHCSKYDIUQCGDN-SFHVURJKSA-N 328.416 2.723 0 50 EFAA O=C(O)Cc1ccccc1CN1CCC(CN2CCCCC2=O)CC1 846248149 FJMOBWHDHKCMQP-UHFFFAOYSA-N 344.455 2.538 0 50 EFAA Cc1nn(Cc2ncc(C(C)(C)C)o2)c(C)c1[C@@H]1COCCN1C 852962431 GCSXXPXKBABQNE-AWEZNQCLSA-N 332.448 2.837 0 50 EFAA COC[C@@](C)(NC(=O)N1CCOC[C@@H]1c1ccccc1)C(F)(F)F 874435542 XDAZXWJSHZQSAS-UKRRQHHQSA-N 346.349 2.737 0 50 EFAA Cc1nn(Cc2cccc3nsnc23)c(C)c1[C@H]1COCCN1C 952893666 JQNUQBVXLLWGGN-OAHLLOKOSA-N 343.456 2.556 0 50 EFAA O=C1CC[C@@H](NCc2cnc3n2CCCCC3)[C@H](c2ccccc2)N1 1875284005 ITVFIILEGPJJJT-XLIONFOSSA-N 338.455 2.719 0 50 EFAA Cn1cc(CCC(=O)NC2CN(c3ccccn3)C2)c2ccccc21 1875296832 QVZDAMVMBKWTKZ-UHFFFAOYSA-N 334.423 2.511 0 50 EFAA C=CC(=O)N1CC([C@H](C)NC(=O)/C(C)=C/c2ccc(F)c(F)c2)C1 1875389120 CKHUYEVLCRVTLM-VNKGSWCUSA-N 334.366 2.517 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(-c2nncn2C)cc1 1875306446 GNOFXUYJZNXTFZ-UHFFFAOYSA-N 334.383 2.710 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cccnn34)cc2)n1 1875322939 PDCGOOMRZSBGSR-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA Cc1ccc(-c2nnc(Cn3cc([C@@H](O)c4ccccc4)nn3)o2)cc1 880994033 WXPNHEGHPYKOIX-SFHVURJKSA-N 347.378 2.767 0 50 EFAA CCc1ccccc1OCC(=O)NCC[C@@]1(CC(=O)O)CC1(F)F 1776006259 QKZTYZRQUYYDLS-MRXNPFEDSA-N 341.354 2.634 0 50 EFAA 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0 50 EFAA CC(C)N(C(=O)c1ccnc(N2CCOCC2)n1)c1cccc(F)c1 637414235 MUVPAEAVRASACQ-UHFFFAOYSA-N 344.390 2.508 0 50 EFAA COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1ncnc2[nH]cnc12 279922433 KTWDHLFXEBBHRS-GFCCVEGCSA-N 328.397 2.538 0 50 EFAA CC(C)c1nnc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cn12 189222367 WWFWCAWEFJLRBG-AWEZNQCLSA-N 349.394 2.917 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)nc2ccccc12 190827274 ICSIZFKXQTZSQL-UHFFFAOYSA-N 342.395 2.639 0 50 EFAA Cc1nc2ccccc2nc1CN1CCSC[C@H]1c1cnn(C)c1 191202399 ZBTPMPJLMOHNGQ-SFHVURJKSA-N 339.468 2.962 0 50 EFAA Cc1n[nH]c(C)c1NC(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1 191889668 AEGSOODPJZHOGF-IRXDYDNUSA-N 326.444 2.966 0 50 EFAA O=C(Nc1cn[nH]c1)Nc1cccc2c1CN(CC(F)(F)F)C2 193037315 VSNTXOARNUFXDB-UHFFFAOYSA-N 325.294 2.932 0 50 EFAA O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2cnns2)CC1 193990086 JZJYFWRHODPZKH-UHFFFAOYSA-N 334.376 2.804 0 50 EFAA CC(C)(C)OC(=O)NCC[C@H](C(=O)O)c1c[nH]nc1C(F)(F)F 1772715950 BYGHLWXVFPRKDA-ZETCQYMHSA-N 337.298 2.512 0 50 EFAA C[C@@H]1CN(CCOc2cccc(C(=O)O)c2)C[C@@](C)(C(F)F)O1 663316942 JFBXZYNKRZAYOU-BZNIZROVSA-N 329.343 2.508 0 50 EFAA Cn1c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cnc1Cl 759707883 RMBNFZWCRKLEJB-UHFFFAOYSA-N 339.726 2.893 0 50 EFAA O=C(COCc1ccccc1)N1CCCN(Cc2ccsc2)CC1 1198078119 FHTATCZZIWUKPR-UHFFFAOYSA-N 344.480 2.999 0 50 EFAA CCc1nn(C)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1CC 1529134037 WTSNTPKGMXWFQM-UHFFFAOYSA-N 340.427 2.924 0 50 EFAA Nc1cc(F)c(Br)c(F)c1I 216009325 LHNRSDGZDSLHLS-UHFFFAOYSA-N 333.901 2.914 0 50 EFAA in-vitro CCOc1ccc(CC(=O)N2CCCN([C@H]3CCSC3)CC2)cc1 1565522160 JMBQIRYCGVMFFA-KRWDZBQOSA-N 348.512 2.668 0 50 EFAA OCCOc1cccc(-c2nccn2Cc2cccn3nccc23)c1 1772819579 WSKWQFYOVJXYQC-UHFFFAOYSA-N 334.379 2.617 0 50 EFAA COc1cc(-c2onc(N[C@H]3CC[C@@H](N)CC3)c2C(=O)O)ccc1F 1772700437 DQSCNRIGNPIDEG-PHIMTYICSA-N 349.362 2.869 0 50 EFAA COc1ccccc1CCC(=O)N1CCCN([C@H]2CCSC2)CC1 1772809872 GOFAYMCAWHPPIA-KRWDZBQOSA-N 348.512 2.668 0 50 EFAA CC(C)c1nnsc1CNC(=O)Cc1ccc(O)c(Cl)c1 1772711117 XAAKXQLJVQMZDR-UHFFFAOYSA-N 325.821 2.879 0 50 EFAA CCc1nnc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)s1 5033433 YBHSADLIOONFRT-UHFFFAOYSA-N 348.819 2.895 0 50 EFAA CCCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12057167 YBHORYXBAYIVKT-FQEVSTJZSA-N 343.471 2.929 0 50 EFAA CC(C)CC(=O)C(=O)N1CCC[C@](CO)(Cc2ccccc2F)C1 12112065 SILQSVJUSSQWTM-IBGZPJMESA-N 335.419 2.585 0 50 EFAA COc1cccc(Nc2nc(N)nc(CN3CCCC[C@@H]3C)n2)c1 13639056 VEVPIZVCWVKVQM-LBPRGKRZSA-N 328.420 2.580 0 50 EFAA Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCC[C@@H](C)C1 15016986 WTFTZFREMWHPBP-PSLIRLAXSA-N 339.233 2.587 0 50 EFAA COC(=O)N1C(=O)[C@](c2ccccc2)(C2CCCC2)N1C(=O)OC 15924774 ZRHWCAFAIHTQKD-KRWDZBQOSA-N 332.356 2.664 0 50 EFAA in-vitro COc1cc(=O)n2c(c1C(=O)NCc1ccc(Cl)cc1)CCCC2 169752829 HZEJVSMVONHIPS-UHFFFAOYSA-N 346.814 2.777 0 50 EFAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 166380162 HYWAXBUFGRBDKI-YRXWBPOGSA-N 331.371 2.925 0 50 EFAA OC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1OC(F)(F)F 657999799 LZAVTBGYNOHVFF-WCQYABFASA-N 331.334 2.920 0 50 EFAA COc1ccc2nc(C(=O)N3CCc4ccccc4[C@@H]3CO)ccc2c1 127326693 SLDAQOZWXBSUSI-FQEVSTJZSA-N 348.402 2.975 0 50 EFAA C[C@H](OCC1CC1)C(=O)N(CCC(=O)O)Cc1ccc(F)c(F)c1 237565901 XEGHTVUTIWBMDC-NSHDSACASA-N 341.354 2.583 0 50 EFAA CC1(C)[C@H](O)C[C@H]1NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F 249527787 ZFXXHWULSWSMOD-JHJVBQTASA-N 330.350 2.619 0 50 EFAA CCN1CCN(c2ccc(NC(=O)N[C@@H](C)[C@H]3CCCO3)cc2)CC1 915319972 DEAKPBVTCQFGRZ-MAUKXSAKSA-N 346.475 2.518 0 50 EFAA O=C(c1cc(C(F)F)ncn1)N1CC[C@]2(C1)OCc1ccccc12 935441685 YZELNXGRLIQYQN-QGZVFWFLSA-N 331.322 2.686 0 50 EFAA CCc1cc(=N[C@H](C)c2cccc(N3CCNC3=O)c2)[nH]c(CC)n1 1875275882 HVGPWCAHXWOESC-CYBMUJFWSA-N 339.443 2.726 0 50 EFAA Cn1cc(CNC[C@@]23CC[C@@](C(=O)O)(CO2)C3)c(C2CCCCC2)n1 1875298516 DCZBUYLNNUQOBQ-OALUTQOASA-N 347.459 2.581 0 50 EFAA C[C@@H](NC(=O)c1cc2n(n1)C[C@H](F)C2)c1ccc(C(F)(F)F)nc1 1875295756 PQADKBOWDSBICQ-PSASIEDQSA-N 342.296 2.682 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccccn3)C3CC3)n[nH]c21 1875394553 MUHDQKRZWJQJHF-NEPJUHHUSA-N 326.400 2.632 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](CC)c2cnn(CC)c2)cc1 1875371743 KUGDGWGUEHJGKU-KRWDZBQOSA-N 340.427 2.933 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2ccnn2CC2CCC2)C3)n1 888097106 AWQSCVXUJWTHTQ-LPHOPBHVSA-N 341.459 2.928 0 50 EFAA CCc1cnc(CNC(=O)N2CCC[C@H](Cc3nc(C)no3)C2)s1 893310205 KKABRHKWBWOWDP-GFCCVEGCSA-N 349.460 2.561 0 50 EFAA Cc1[nH]nc(NC(=O)[C@H]2CC23CCC(N)CC3)c1-c1cccnc1 1775960824 NJUBURJLZYITHD-TXKKKEFDSA-N 325.416 2.626 0 50 EFAA CO[C@H](C)c1ncc(C(=O)O[C@H](CNC(C)=O)c2ccccc2)s1 2325745735 NMXCQHMOFKJERY-BXUZGUMPSA-N 348.424 2.885 0 50 EFAA CC[C@@H](C)N1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 2325766708 WUSPOMXPFUKLQI-IUODEOHRSA-N 337.489 2.987 0 50 EFAA COC[C@@H](C)CN1CCC(=O)N(Cc2cccc3occc23)C1=O 2325779821 GQZQKKQQIPQPRP-ZDUSSCGKSA-N 330.384 2.870 0 50 EFAA O=S(=O)(C[C@H]1CCCCC1(F)F)NC[C@@]12CCC[C@@H](CO1)C2 2325782706 XXDIOHXIEKLHBK-MCIONIFRSA-N 337.432 2.691 0 50 EFAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@H]1CCCCO1 2325842065 NGRSGCWRASQTPZ-QWHCGFSZSA-N 333.363 2.552 0 50 EFAA C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 150172933 FZECBQFAODDFHV-BBRMVZONSA-N 343.427 2.823 0 50 EFAA O=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 78890 CLILVEMCMVDPJI-UHFFFAOYSA-N 328.349 2.734 0 50 EFAA Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1 1061906 YPURQYDNHNSNTD-UHFFFAOYSA-N 347.440 2.509 0 50 EFAA CC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1075515 WNATXFSRJGRNMT-UHFFFAOYSA-N 332.381 2.513 0 50 EFAA O[C@@H]1CCN(c2nccn3c(-c4cc(F)cc5cccnc45)cnc23)C1 2356137240 UNFOSCZVUKTQKM-CQSZACIVSA-N 349.369 2.655 0 50 EFAA Cc1cccc2nc(COCC(=O)Nc3nc(C)n(C(C)C)n3)[nH]c12 2356138613 PCJAPPBWFWIXMK-UHFFFAOYSA-N 342.403 2.507 0 50 EFAA Cc1nnc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)o1 342541331 DALMMOSBUMGXGL-CYBMUJFWSA-N 326.356 2.523 0 50 EFAA CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)ncc1F 4413909 OGVQBBYOKXIOBU-UHFFFAOYSA-N 337.786 2.891 0 50 EFAA COc1ccc(CNc2nc(NC(C)=O)nn2-c2ccccc2)cc1 6742848 HZKAQQPQVNOLOP-UHFFFAOYSA-N 337.383 2.846 0 50 EFAA CCn1c(S)nc2cc(C(=O)N(C)CC3CCC3)ccc2c1=O 111070466 ATUDSGRDFQMTDB-UHFFFAOYSA-N 331.441 2.577 0 50 EFAA COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10313920 GKPDBSMSLWIEMF-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA CCC[C@@H](C)C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65398619 SPORIQOFKMFJIZ-CQSZACIVSA-N 340.427 2.914 0 50 EFAA C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@@H](C)O1 229257345 IFHAULGLRVIXGK-RBSFLKMASA-N 337.489 2.704 0 50 EFAA Cc1cccc(OC(F)F)c1NC(=O)NCC1(CO)CCOCC1 120640722 NAZRARWEAVTIAS-UHFFFAOYSA-N 344.358 2.507 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCN(Cc3csc(C)n3)CC2)no1 328655215 YEBNFLHPJMVSGN-HNNXBMFYSA-N 335.477 2.629 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1N(C)C)N(C)Cc1ccccc1 353890065 CBSMPBAROKGAIY-INIZCTEOSA-N 325.456 2.889 0 50 EFAA COc1cc2ncn(Cc3cc(F)ccc3F)c(=O)c2cc1OC 32537358 OEXXWBVRQMOGFO-UHFFFAOYSA-N 332.306 2.740 0 50 EFAA C[C@@H]1CCCCN1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 252477347 MKRUOQBSOSWGNJ-KURKYZTESA-N 336.524 2.519 0 50 EFAA CC1=NN(C(=O)c2ccccc2-n2cccc2)[C@@](O)(C(F)(F)F)C1 374305 ACAAARRHTVKSKR-HNNXBMFYSA-N 337.301 2.950 0 50 EFAA COCCCN1CC[C@@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 215065929 PEVNAXKEUAHAOT-HNNXBMFYSA-N 330.428 2.829 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)no1 328627223 FWLNLHVVXHUYLP-HZPDHXFCSA-N 332.448 2.547 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@]1(O)CN1CCCCCCC1 11952423 TVPXLUFEBQEJNY-FQEVSTJZSA-N 348.462 2.945 0 50 EFAA c1csc(CN(Cc2cn3cccnc3n2)C[C@@H]2CCCO2)c1 124282553 XBLISEAMEKXAHB-HNNXBMFYSA-N 328.441 2.972 0 50 EFAA Fc1cccc(-c2nnn(Cc3csc([C@H]4CCCO4)n3)n2)c1 125070101 PCNGXVDNPZEAIP-CYBMUJFWSA-N 331.376 2.836 0 50 EFAA CS(=O)(=O)CC1CCN(C(=O)c2csc3ccccc23)CC1 355864203 YBXDOGLRMWYJSN-UHFFFAOYSA-N 337.466 2.798 0 50 EFAA COc1ccc(CN2CCCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1 253419922 DYGDUMWMNDGAAH-WMZOPIPTSA-N 346.471 2.545 0 50 EFAA COc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 363350498 ZFUUHNXRUNZEKS-INIZCTEOSA-N 339.439 2.827 0 50 EFAA CCC(CC)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(OC)cc1 12714343 FCQPAQROCGIMAP-ZWKOTPCHSA-N 332.444 2.931 0 50 EFAA Oc1ccc(CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)cc1F 488414886 RPFWBLYUVSPHPJ-UHFFFAOYSA-N 336.370 2.906 0 50 EFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 72425652 KEDMWMYEUAPGAT-ZWKOTPCHSA-N 343.471 2.654 0 50 EFAA COc1c(C)cc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)cc1C 367413775 WDNSSQRVYMSVSQ-RCCFBDPRSA-N 346.471 2.636 0 50 EFAA CN[C@H](C)Cc1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 261814022 PZKXEYVYVNIFKS-SECBINFHSA-N 344.396 2.739 0 50 EFAA Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN[C@@H](C)C2)cc1 237745206 ZYNACWISOPWWOP-ZDUSSCGKSA-N 329.469 2.790 0 50 EFAA Cc1ccnc(Oc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)n1 77139374 DQZKUSUDNVZTFP-UHFFFAOYSA-N 348.362 2.929 0 50 EFAA Cc1cc(C(=O)N(C)Cc2scnc2C)cc(C)c1OCC(=O)O 262266957 XMFQFUKDHKOADV-UHFFFAOYSA-N 348.424 2.804 0 50 EFAA CCC(CC)C(=O)NC[C@H](C)Oc1cccc(CN2CCOCC2)c1 14973766 YSHXTAHFDOEIAM-INIZCTEOSA-N 348.487 2.839 0 50 EFAA Cc1cccc(C)c1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77488332 YGESRPJIGKOEDT-FQEVSTJZSA-N 330.472 2.500 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282634201 SWZRPVCSTGWPNG-FUHWJXTLSA-N 339.370 2.510 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1 238194094 MIVAOJVXTKCCOK-FXZDBVEHSA-N 344.194 2.709 0 50 EFAA CC(C)N(C)C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 374739682 ZIPWEGRDGYGBKA-AWEZNQCLSA-N 336.505 2.890 0 50 EFAA O=C(NC1(C(=O)O)CCOCC1)c1ccccc1-c1ccccc1 218876207 MRZVWLTUNMXTMA-UHFFFAOYSA-N 325.364 2.717 0 50 EFAA O=C(CCc1ccco1)Nc1ccccc1-n1ccc(C(=O)O)n1 238230680 LWPKJIBCQQHULH-UHFFFAOYSA-N 325.324 2.735 0 50 EFAA CC1(C)CN(C(=O)c2c(O)cccc2O)C[C@](C)(C(F)(F)F)O1 452149362 LISZAAIGQIZMGU-CQSZACIVSA-N 333.306 2.670 0 50 EFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@@H](C)Cn1cccn1 215482533 AYYDKJUAJAWJQU-NSHDSACASA-N 346.381 2.946 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C)[C@@H]2CCO[C@@H]21 219355985 VCQOUHFLUHBCQX-SCTFDZSOSA-N 348.830 2.909 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC(c2nc(C)no2)CC1 239672471 BTEXEDNLCYNWTL-UHFFFAOYSA-N 335.429 2.556 0 50 EFAA CCS(=O)(=O)c1ccccc1C(=O)Nc1cnc2onc(C)c2c1 337571394 BVULCZDTOVUONA-UHFFFAOYSA-N 345.380 2.577 0 50 EFAA COc1cc(N2CCN(C(=O)c3cn(C(C)C)cn3)CC2)ccc1F 283566970 GPVWLIVJEWVVPD-UHFFFAOYSA-N 346.406 2.574 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)COc1ccc(Cl)c2cccnc12 159894732 FWRVMJODHQROSP-CYBMUJFWSA-N 348.786 2.733 0 50 EFAA COc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)cc1OC 284867241 YILHDZIXHLDZIO-SFHVURJKSA-N 345.443 2.695 0 50 EFAA CO[C@H](C)c1nc(C)c(C(=O)N2CC(=O)Nc3ccccc32)s1 175435582 ODLZUIMBRQBLGZ-SNVBAGLBSA-N 331.397 2.758 0 50 EFAA CC(C)Nc1cc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)ncn1 426388425 QHRDRWWMSOVTDB-INIZCTEOSA-N 340.427 2.873 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)Oc1ccc(-n2cnnn2)cc1 175802350 KRZHWGKFWRCFOO-MRXNPFEDSA-N 338.367 2.734 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(CN(C)C)c1 222790651 PUQHSKFYQDFRNR-MOPGFXCFSA-N 346.471 2.618 0 50 EFAA CC[C@H]1c2ccsc2CCN1C(=O)COc1coc(C)cc1=O 194691209 UOGOELTYQIKDNL-ZDUSSCGKSA-N 333.409 2.925 0 50 EFAA Cn1ccnc1CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95372572 MXDRNYPFUANGJK-UHFFFAOYSA-N 349.369 2.804 0 50 EFAA Cn1c(I)cc2c(Cl)nc(Cl)nc21 238535266 CKQREJUSPJUIPH-UHFFFAOYSA-N 327.940 2.880 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)c2ccc3c(c2)C[C@@H](C)O3)no1 426573317 SXXBGRWGLKQSMH-GFCCVEGCSA-N 329.400 2.831 0 50 EFAA O=C(c1ccc[nH]1)N1CCC(c2nccn2Cc2ccncc2)CC1 95509865 HEBWJCAHOXSJHU-UHFFFAOYSA-N 335.411 2.674 0 50 EFAA COCCc1nc(-c2cccnc2SC)n(CC(F)(F)F)n1 95511770 LOYRDBFVTVSXPX-UHFFFAOYSA-N 332.351 2.813 0 50 EFAA COc1cc2c(cc1CNC(=O)Cc1c(C)nc3ccccn13)CCC2 97574893 AWKDHJKZRFGPKH-UHFFFAOYSA-N 349.434 2.999 0 50 EFAA CC(C)c1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]23)on1 97117627 SOQNMIVFGPXMSX-INIZCTEOSA-N 325.368 2.799 0 50 EFAA Cc1ccc(-c2nc(CC(=O)N[C@H](C(=O)O)C(C)C)cs2)cc1 236705624 WNANFJDCPBJJNH-HNNXBMFYSA-N 332.425 2.886 0 50 EFAA CCOc1ccc([C@@H](C)NC(=O)c2cc(CC)[nH]c(=O)c2)cc1F 97657197 NXMNPCBTCHJXPB-LLVKDONJSA-N 332.375 2.966 0 50 EFAA CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1n[nH]c2c1CCC2 244778702 PVAIOLYXEXLCSC-UHFFFAOYSA-N 336.798 2.761 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 299745307 XUHZTQUQKLPSSJ-RAIGVLPGSA-N 327.302 2.742 0 50 EFAA c1cnc(N2CCCC2)c(O[C@@H]2CCN(CCC3CCOCC3)C2)c1 295917434 JILNGEQENNJVEX-GOSISDBHSA-N 345.487 2.952 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1coc(Br)c1 299388467 ZNDSTUZYBGNKLG-MIMYLULJSA-N 342.189 2.900 0 50 EFAA CSc1cccc(C)c1NC(=O)N1CC[C@H](N2CCOCC2)C1 184981327 RUYZCOSXTJACRG-AWEZNQCLSA-N 335.473 2.655 0 50 EFAA COc1ccc(C(=O)Nc2ncc(-c3ccc(F)cc3)[nH]2)c(OC)n1 1940197008 LNWBFJOVUPHQGM-UHFFFAOYSA-N 342.330 2.880 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCCc2c(C)n[nH]c2C)n1 299779699 PIQPTCWJLKRJRH-AWEZNQCLSA-N 347.488 2.663 0 50 EFAA CSCc1nc(CNC(=O)N(C)[C@H](C)c2ccncn2)cs1 584904036 HNFCJHJUEDINSP-SNVBAGLBSA-N 337.474 2.699 0 50 EFAA Cc1noc(C)c1CC(=O)Nc1cccc(-c2nncn2C)c1C 827846912 JWUYVUSJKAQXHG-UHFFFAOYSA-N 325.372 2.577 0 50 EFAA 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COc1ccccc1CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225540693 VRRYAKBAGLTYLR-SJORKVTESA-N 329.371 2.711 0 50 EFAA O=C(N1CCC[C@H](Cn2cncn2)C1)C1(c2cccc(Cl)c2)CC1 127292000 WOQBSDKXTXSZGJ-AWEZNQCLSA-N 344.846 2.902 0 50 EFAA CCCCOCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 248161348 LOQHMIBZIPCXIN-MOPGFXCFSA-N 330.472 2.926 0 50 EFAA O=C(CCc1ccccn1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348261372 PNXBDPNROLLBJW-WMLDXEAASA-N 332.350 2.627 0 50 EFAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ncc(Br)cn2)C1 253394868 LSGSLDWHVDTMQP-CHWSQXEVSA-N 338.180 2.691 0 50 EFAA O[C@]1(Cc2nc(C3CC3)no2)CCCN(c2ccc(Cl)cn2)C1 818144920 KHWGSFWAUWEVIX-INIZCTEOSA-N 334.807 2.569 0 50 EFAA COc1ccc(N(C(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)C)cc1F 903052410 MTXGBRHMSIWIER-CYBMUJFWSA-N 346.406 2.738 0 50 EFAA Cc1nc(-c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)O)cc2)cs1 910442813 XJTBZTZIFPYWPQ-JSGCOSHPSA-N 334.372 2.756 0 50 EFAA O=C(c1nccc2occc12)N1CCC[C@@](CO)(c2ccccc2)C1 854369382 BEVYLMNSHIDMLI-HXUWFJFHSA-N 336.391 2.994 0 50 EFAA Cc1cscc1C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 952994385 OQVFVUFPXQIPNF-VIFPVBQESA-N 344.362 2.703 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(=N)[nH]n2)cc2cccnc12 1875325829 UZNKUTOWOWIFNI-MRXNPFEDSA-N 333.395 2.723 0 50 EFAA CCc1nc(-c2cccc(NC(=O)CN3CCC(C)(C)C3)c2)no1 1875302609 YPAOMGZTIULDOK-UHFFFAOYSA-N 328.416 2.969 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Cc3cccnc3)cc2)cn1 1875384315 DVOMMCAVRMZUCD-NTKDMRAZSA-N 334.423 2.669 0 50 EFAA Cc1cc(=N[C@@H]2CC[C@H](O)[C@@H](C)C2)[nH]c(N(C)c2ccccc2)n1 1875360693 GIGPOXFVVGCXHL-LXZKKBNFSA-N 326.444 2.936 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)cn1 1875398628 ZMPYYXIIIOHISE-CYZMBNFOSA-N 326.322 2.549 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cccc(-c2ccncc2)c1 1875400097 QORKWULTHHHNDA-DUXKGJEZSA-N 348.450 2.874 0 50 EFAA COCc1ccc(CN[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1 886065607 MKYSMNBJOWWQDK-HZPDHXFCSA-N 344.377 2.864 0 50 EFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3sccc3C)C2)ccn1 886056880 FNELSXYVDZRDJQ-QGZVFWFLSA-N 345.468 2.741 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(Cc3ccc4c(c3)CCCC4)C2)n1 886091662 HCHCKJAJBQOCMG-HXUWFJFHSA-N 341.455 2.826 0 50 EFAA O=C(NC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1)c1ccccc1F 886079716 XBILCPAIYDUVFR-FZMZJTMJSA-N 331.347 2.594 0 50 EFAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N2CCC(c3ccon3)CC2)C12CCC2 888101317 IYUXHLGQDDSAKV-APHBMKBZSA-N 333.432 2.767 0 50 EFAA O=C(Cc1cnn2ccccc12)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831048 GPFYZDVONYXYPK-JXFKEZNVSA-N 332.407 2.810 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1cccc(Br)c1 237388076 SZYQUVWTXUYNEB-BXUZGUMPSA-N 325.250 2.720 0 50 EFAA CS(=O)(=O)N1CC[C@H](NCc2ccc3oc4ccccc4c3c2)C1 895146570 FGSODWDUYSCNOB-AWEZNQCLSA-N 344.436 2.710 0 50 EFAA C[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 2325802293 XLRIXYMHTUREPJ-VHSXEESVSA-N 325.771 2.717 0 50 EFAA Cc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1C 80142 PDUABLANFYGETN-UHFFFAOYSA-N 338.473 2.518 0 50 EFAA Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)C[C@@H](C)C2 2354019 KUQYNIRNZLZCOE-AWEZNQCLSA-N 336.439 2.877 0 50 EFAA COP(=O)(CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)OC 2569813 YZGNGDYZKMFCMO-LLVKDONJSA-N 337.353 2.981 0 50 EFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356142071 CELYBCWYDJFXMI-HXUWFJFHSA-N 347.422 2.716 0 50 EFAA O=C(COc1ccc(F)c(Cl)c1)NCc1ccc2c(c1)OCO2 3345148 XVYQKNVWJBNTCV-UHFFFAOYSA-N 337.734 2.903 0 50 EFAA COc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 4487112 GYJYPPVVUHOPIN-UHFFFAOYSA-N 332.743 2.895 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)c1ccccc1NS(C)(=O)=O 6704267 MSVNANJZPOGUHE-CQSZACIVSA-N 346.452 2.809 0 50 EFAA CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1COCCN1C1CCCC1 280967218 SRXCUHWQHJOMII-CRAIPNDOSA-N 346.471 2.906 0 50 EFAA Cc1ncc(CN2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)s1 110943640 DXADOFDWXXXTSL-AWEZNQCLSA-N 345.468 2.563 0 50 EFAA O[C@]1(CNc2cc(N3CCCC3)ncn2)CCC[C@H](C(F)(F)F)C1 225488507 XDUHDBZRTFMWRB-SWLSCSKDSA-N 344.381 2.972 0 50 EFAA C[C@@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1 9341710 MCATUPPVRUPLAB-IBGZPJMESA-N 333.347 2.740 0 50 EFAA CCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21 100485725 IWXNNPUCLUSHLO-UHFFFAOYSA-N 336.391 2.700 0 50 EFAA Cc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc(C)c1O 20210124 CKDXQVALOJRKPH-IBGZPJMESA-N 332.488 2.820 0 50 EFAA Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 100394931 MNWYTYBQSWLDTA-DFEHZGFQSA-N 340.423 2.663 0 50 EFAA Cc1ccc(OCCCN(C)C(=O)[C@@H]2CC23CCNCC3)cc1C 55036378 PSBPEMYHUUNIPL-SFHVURJKSA-N 330.472 2.920 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)n1 20905950 XKYGMBSDSRJFKC-NRFANRHFSA-N 339.483 2.767 0 50 EFAA CCNC(=O)c1ccc(C)c(NC(=O)c2nn(C)c(C)c2Cl)c1 421435786 PVBGTVPRUWTKON-UHFFFAOYSA-N 334.807 2.692 0 50 EFAA Cc1noc(C)c1CC(=O)NCC1CCN(Cc2cccs2)CC1 61568866 GPBCORZMSBXFKJ-UHFFFAOYSA-N 347.484 2.924 0 50 EFAA COc1ccc2c(c1)N(C(=O)[C@@H]1CCc3c[nH]nc3C1)CCCC2 329646832 AGMOILDLZMLPHF-CQSZACIVSA-N 325.412 2.893 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3cccnc3)C2)c1 77506155 RBGKJCQRZMADEA-OAHLLOKOSA-N 326.396 2.657 0 50 EFAA COC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccnn1C 72435999 NQCFNXPMZXXGAH-INIZCTEOSA-N 348.410 2.929 0 50 EFAA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1c1nccs1 177023087 LYWHRZWSPXSYHL-ZDUSSCGKSA-N 340.408 2.747 0 50 EFAA Cc1ccccc1-n1cc(CNc2ccc(-c3nccn3C)nn2)cn1 67756961 VVRWQEVDLSOBIL-UHFFFAOYSA-N 345.410 2.983 0 50 EFAA CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 150714272 YQZYRONHANOVTN-XEZPLFJOSA-N 334.441 2.989 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cc(C(C)C)on2)c1 282603696 URMOZXKYOZJVGA-XJKSGUPXSA-N 330.384 2.755 0 50 EFAA COc1cccc(-c2nc(C(=O)N3CCOCC3(C)C)c(C)[nH]2)c1 122629579 WCIUAKCVDHIJMR-UHFFFAOYSA-N 329.400 2.645 0 50 EFAA Cc1noc(C)c1[C@@H](C)/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328624501 CKRQOJFJJFVJGJ-SFNBMPIDSA-N 349.431 2.679 0 50 EFAA CC(C)c1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 328620165 GTRJJELCTOMQKZ-DZGCQCFKSA-N 348.520 2.914 0 50 EFAA CCn1nncc1C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 330545519 BZTTYFSSUSHVCI-UHFFFAOYSA-N 334.370 2.671 0 50 EFAA CCCC[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@H]1C(N)=O 253397378 WTLMDSPZLGGBMP-YOEHRIQHSA-N 331.460 2.901 0 50 EFAA O=C([C@H]1CCOc2ccccc21)N1CCC(Cc2ncc[nH]2)CC1 329167850 IVCCWZPHBDFZOK-INIZCTEOSA-N 325.412 2.757 0 50 EFAA CN(C[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O 253417236 AYXOKBVSSCKVIP-ZDUSSCGKSA-N 348.871 2.583 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O 72433296 KGVYKAULWFIMTJ-LBPRGKRZSA-N 325.792 2.994 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1C 331593445 KWKFYGSDPHTINR-IAQYHMDHSA-N 346.456 2.537 0 50 EFAA O=C(c1cncs1)N1CCC(n2cc(Br)cn2)CC1 331851788 AUVFXEHRHXKHKC-UHFFFAOYSA-N 341.234 2.579 0 50 EFAA COC(=O)[C@H]1CCc2nnc(-c3cccc(C(F)(F)F)c3)n2C1 260072723 BQQPGXTZXWBABA-JTQLQIEISA-N 325.290 2.699 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](N)CC3)cc2)n1 72171601 OWCAOOJJLPMKRV-GOSISDBHSA-N 326.444 2.502 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)Cc1ccc2c(c1)OCO2 77376990 OMHDMMBPJGMNBB-UHFFFAOYSA-N 349.390 2.802 0 50 EFAA CCCc1nc(C)c(Cn2ccnc2-c2cc3n(n2)CCNC3)s1 72407267 LDPYXYXURSKWKK-UHFFFAOYSA-N 342.472 2.616 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc1O 219316869 KDFFKBZMLAXQRL-SJORKVTESA-N 344.455 2.624 0 50 EFAA COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H](c3ccnn3C)C2)c1 369631690 PXHOCTHVOZCUJO-IDHHARJASA-N 329.444 2.778 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1 156883337 WVGKZAGFUGTXLA-JTQLQIEISA-N 338.462 2.634 0 50 EFAA FC(F)CN1CCCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 377866642 YPAFHNQJGGWWPV-ZDUSSCGKSA-N 331.432 2.767 0 50 EFAA CN1Cc2ccccc2[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 378273304 AZBSGZJXAYBQIP-FQEVSTJZSA-N 346.434 2.848 0 50 EFAA O=C(CCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)c1cccs1 262341123 GCFZNIZRNUJIMU-AGIUHOORSA-N 335.425 2.955 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 240333262 FCMRYSREWQNVSY-UHOFOFEASA-N 346.858 2.961 0 50 EFAA Cc1nn(C)c2sc(C(=O)N[C@@H](C)CC(=O)c3ccco3)cc12 158035986 AMRJHLPDZMKAQY-VIFPVBQESA-N 331.397 2.928 0 50 EFAA O=C(NCCn1cccn1)N1CCc2cc(-c3ccccc3)oc2C1 176366630 QEKMNUFFXVOBGF-UHFFFAOYSA-N 336.395 2.911 0 50 EFAA CCOC[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 175962328 PFPJZFFLAHRRDK-OALUTQOASA-N 345.487 2.719 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 176732266 CXPJHMJPFNADNQ-YGRLFVJLSA-N 335.367 2.805 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c(F)c1F 82119912 FXUYNWNBXKTTSY-LLVKDONJSA-N 335.354 2.727 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)NCC2CCCCC2)C1 426719777 BYCMTVWLRRJUIV-HNNXBMFYSA-N 332.448 2.605 0 50 EFAA Cc1nccn1CCCNC(=O)N1CCCC[C@H]1c1ccccn1 426691100 ADQPOZGNTOGJCX-KRWDZBQOSA-N 327.432 2.913 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C 95381845 UIIRREIUPKMMJX-GOSISDBHSA-N 328.460 2.747 0 50 EFAA O=C(NCc1nc2ccccc2s1)N1CCC[C@H](c2ncon2)C1 426535082 GUPLXXHKHOEJHF-NSHDSACASA-N 343.412 2.769 0 50 EFAA CC(C)c1nc(CCNC(=O)Nc2cccn3cnnc23)cs1 95523679 XZRNRGRMIHTBLZ-UHFFFAOYSA-N 330.417 2.673 0 50 EFAA CC(C)=CCN1CC2(CCN(c3ncnc(C)c3C)CC2)CC1=O 91636529 SZQFYXOCJYCVCM-UHFFFAOYSA-N 328.460 2.879 0 50 EFAA Cc1nc(O)ccc1C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 294247544 WLRHPTRVIMMHCA-GFCCVEGCSA-N 329.375 2.586 0 50 EFAA CCc1cc(Cl)ccc1NC(=O)NCCNc1nc(C)cc(=O)[nH]1 97660320 VDHKZGRPLHSIKO-UHFFFAOYSA-N 349.822 2.528 0 50 EFAA COc1ccc([C@@H]2CN(c3ncccc3Cl)C[C@H]2NC(C)=O)cc1 91625495 PLZUWJKRULWMJH-DOTOQJQBSA-N 345.830 2.852 0 50 EFAA OC1CCN(C2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)CC1 95525377 RTJUYZGOQQETCF-QGZVFWFLSA-N 344.499 2.549 0 50 EFAA Fc1ccc2c(N3CCC(N4CCSCC4)CC3)ncnc2c1 92062272 FFTRZLMNEWICQN-UHFFFAOYSA-N 332.448 2.787 0 50 EFAA O=C(C[C@H]1CCCN1C(=O)c1ccc(O)cc1O)c1ccccc1 182584253 KVLFELDJXGZATJ-CQSZACIVSA-N 325.364 2.975 0 50 EFAA CCN(CC)C[C@@H](O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 253390146 FUEBRKFOQAAJMZ-MASVMSMMSA-N 343.895 2.810 0 50 EFAA CC(=O)N[C@H]1CCCN(Cc2cc(O)c3cccc(Cl)c3n2)C1 253536396 PDVGKCJWCKDXCA-LBPRGKRZSA-N 333.819 2.694 0 50 EFAA CCS(=O)(=O)NCC1(c2ccc(Br)s2)CCC1 367136685 BVMMLFGEVOWAQM-UHFFFAOYSA-N 338.292 2.872 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3ccc(C)c(F)c3)cc2C1 299795474 MFGZBGLHIHWLDK-UHFFFAOYSA-N 344.434 2.876 0 50 EFAA O=C(O)C[C@@H](NC(=O)CCN1CCCCCCC1)c1ccccc1 299780115 RETLSIUEJOYTDE-QGZVFWFLSA-N 332.444 2.975 0 50 EFAA CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1nccn1C 299778443 HICNJMCYEOOEBB-OAHLLOKOSA-N 330.388 2.710 0 50 EFAA O=C1C[C@H](C(=O)NCc2nc3ccccc3s2)C2(CCCC2)O1 299775610 LATQLEVAGLJTOA-LLVKDONJSA-N 330.409 2.788 0 50 EFAA Cc1ncc(-c2nc(CC(C)C)nn2CCO)c(-c2ccccc2)n1 828778421 NVFPRLWXFJMMAA-UHFFFAOYSA-N 337.427 2.901 0 50 EFAA CC(C)CC(=O)N1CCC[C@H](c2ncc(Br)cn2)C1 1363956689 BFXPGNPHTQYFTO-NSHDSACASA-N 326.238 2.991 0 50 EFAA CCN1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 952970215 BSMRBWCFDYJLCA-KRWDZBQOSA-N 338.411 2.757 0 50 EFAA CCCc1nc(C(=O)Nc2cc(-n3cnnc3)ccc2OC)cs1 952986533 FDLOFOYJVIVJSO-UHFFFAOYSA-N 343.412 2.937 0 50 EFAA CCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H](c2nc(C)no2)C1 222133040 BOUGYCCGAUGNIY-KGLIPLIRSA-N 347.419 2.661 0 50 EFAA CN(Cc1ccccc1CN1CCCC1)C(=O)CCc1cn[nH]c1 952874169 YFTRKVKKDGVIDC-UHFFFAOYSA-N 326.444 2.597 0 50 EFAA O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NC1CCSCC1 171364611 RFRRGTDSFPGSFP-QGZVFWFLSA-N 347.528 2.746 0 50 EFAA Cc1cc(C2OCCO2)c(C)cc1CNCCO[C@H]1CCCCO1 1474546635 NZFWAEKOWWNVSS-SFHVURJKSA-N 335.444 2.982 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C 187250003 WQXQQXRDDNEJOI-ZFWWWQNUSA-N 343.431 2.530 0 50 EFAA C[C@@](O)(CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccco1 170047429 VLUMOAQYEUCKMP-RHSMWYFYSA-N 336.432 2.668 0 50 EFAA CCCc1c(NC(=O)[C@@H]2CSC(=O)N2)cnn1-c1ccc(C)cc1 278579740 PZAHXZYRDVYSOC-AWEZNQCLSA-N 344.440 2.897 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 188343847 ZZGGDQLEYBLPOV-UHFFFAOYSA-N 349.394 2.855 0 50 EFAA CCNC(=O)N1CCc2ccc(N[C@@H](COC)C3CCOCC3)cc21 188424557 MXIYPUFAYINAGA-KRWDZBQOSA-N 347.459 2.632 0 50 EFAA CNc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 638565579 QNOLJLFPKREAGC-KBPBESRZSA-N 340.427 2.989 0 50 EFAA CC(=O)Nc1cccc(NC(=O)C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c1 189861323 ULZQUMYNPNBTPC-IFIJOSMWSA-N 343.427 2.763 0 50 EFAA COc1ccc([C@@H](NC(=O)NC[C@@H](C)O)c2ccc(F)cc2)cc1 192440557 MMKJINFATDHJPO-PXAZEXFGSA-N 332.375 2.604 0 50 EFAA O=S(=O)(CC1CCCC1)N1CCC(CCCn2ccnc2)CC1 679941796 WKUFPUVZYBDUDB-UHFFFAOYSA-N 339.505 2.895 0 50 EFAA Fc1ccc(N2CCC(N3CCC[C@@H](c4nc[nH]n4)C3)CC2)cc1F 1506406744 RIONVYSYPDYEPJ-CYBMUJFWSA-N 347.413 2.931 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(c2ccc(C)nn2)CC1 1704331169 PHXXGAYSHLTDAT-UHFFFAOYSA-N 325.412 2.862 0 50 EFAA Cc1cc(C)c(CC(=O)N(CCN(C)C)Cc2[nH]cnc2C)c(C)c1 1704335612 PGLWVXSLLAVNHC-UHFFFAOYSA-N 342.487 2.776 0 50 EFAA COc1ccc(CCN2CCC[C@H](CN(C)CC(C)(C)CO)C2)cc1 12710470 HBWDBYPNZDGHAO-LJQANCHMSA-N 348.531 2.900 0 50 EFAA COc1cccc(C[C@H]2CN(C(=O)c3scnc3C)CCO2)c1 14963096 SHSMIYDCVAMYBG-HNNXBMFYSA-N 332.425 2.544 0 50 EFAA CC(C)CC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 19877258 UXRYMDWSPFQZLK-UHFFFAOYSA-N 343.515 2.841 0 50 EFAA CCOc1ccc2ccccc2c1-c1nccn1Cc1nc(O)n[nH]1 1857673585 VYDMMQKJLIXFMF-UHFFFAOYSA-N 335.367 2.974 0 50 EFAA C[C@@H]1CN(c2nc(-c3ccccc3)no2)CCN1c1ccc(F)cn1 1857691620 SMIIDEKMLBXEHY-CYBMUJFWSA-N 339.374 2.986 0 50 EFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)CC3CC3)[C@H]3CC[C@]2(C1)O3 1857719596 QIBDXKKWBHGICY-JRBPQWBISA-N 332.488 2.738 0 50 EFAA O=C1C[C@H]2N(CC3CCCC3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857729091 VDWALDZKCJBNQX-GGPKGHCWSA-N 326.440 2.951 0 50 EFAA Cc1noc(C)c1CN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(N)=O)C2 1857729209 NEQISBYZNODMBC-ILZDJORESA-N 339.439 2.743 0 50 EFAA Cc1nc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)n(C)c1C 1857739512 MMSRIDJYHJNJGY-HNNXBMFYSA-N 330.432 2.801 0 50 EFAA Cc1ccc(C)c(NC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857741631 JRYYNTYIJLONAA-IXIUHKBRSA-N 343.471 2.876 0 50 EFAA NC(=O)c1cnc(N2CCC[C@H](COc3ccccc3Cl)C2)cn1 408514057 CNWUNHGUSWISHF-LBPRGKRZSA-N 346.818 2.524 0 50 EFAA CNCC(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC 225473381 WTSOBKWCZQVITQ-GOSISDBHSA-N 348.830 2.782 0 50 EFAA C[C@@H]1CCCN(C(=O)CCc2ccncc2)[C@@H]1C(=O)OC(C)(C)C 425049313 XLECXCPMXYDQDX-PBHICJAKSA-N 332.444 2.983 0 50 EFAA CN(C1CCCCCC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F 331393334 BIAZOTSDTPXVQU-UHFFFAOYSA-N 339.383 2.782 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cc1C(=O)O 237319447 HTFZBHWTNGUGHB-HUUCEWRRSA-N 343.354 2.952 0 50 EFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1F 238106190 DVTDPIJPTRBKMB-LLVKDONJSA-N 329.755 2.575 0 50 EFAA COc1ccc(NC(=O)CCc2cnn(C)c2)c(Br)c1 339677469 JEPFXLQNYXKJEU-UHFFFAOYSA-N 338.205 2.763 0 50 EFAA CC(C)[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1 151225059 YAJPZPPOHKSFSI-SFHVURJKSA-N 338.455 2.640 0 50 EFAA Cn1cc(CN[C@@H]2CCN(c3ncccc3Cl)C2)c(C(F)F)n1 360965663 HZTJEUSKUYBHMO-LLVKDONJSA-N 341.793 2.775 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@@H](C3CCOCC3)C2)cc1F 366803109 CDCPZDZXEYZUCO-OAHLLOKOSA-N 336.407 2.792 0 50 EFAA Cc1cc(Cl)ccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 263003465 RLAPZBBCSZJOCL-CQSZACIVSA-N 325.792 2.506 0 50 EFAA Cc1cnc(CCN2CCOc3ccccc3[C@H]2C(=O)O)c(C)c1 903930721 FXOLEVLBCSKZFA-SFHVURJKSA-N 326.396 2.761 0 50 EFAA Cn1ncc(CNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 805995103 RHIPXKQGVJOWIU-LJQANCHMSA-N 347.422 2.672 0 50 EFAA Cn1nc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)cc1-c1ccc(F)cc1 829639802 GBAJFXDKIAPLPH-IEBWSBKVSA-N 343.402 2.603 0 50 EFAA O=C(Nc1noc2c1CCCC2)N1CC[C@@](O)(c2ccc(F)cc2)C1 934354818 IGPWJJRYBRRBKK-SFHVURJKSA-N 345.374 2.818 0 50 EFAA C[C@H](Nc1ccc(OCCN)cc1)C(=O)Nc1cccnc1Cl 843366501 AIIQMVPRORHOES-NSHDSACASA-N 334.807 2.512 0 50 EFAA CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2O)C12CCC2 864070446 QWUKGXJYJRDKGC-KGLIPLIRSA-N 345.443 2.916 0 50 EFAA O=C(Nc1cccc2c1CCN2)C1([C@@H]2CCCCO2)CCOCC1 876539764 ATRFWAJBQVWYFH-KRWDZBQOSA-N 330.428 2.959 0 50 EFAA CC1CCN(c2cccc(N[C@H](C)CS(=O)(=O)N(C)C)c2)CC1 1875285633 UMZCWRXHLKWLLZ-OAHLLOKOSA-N 339.505 2.615 0 50 EFAA CCc1nc2ccccc2n1[C@H]1CCCN(c2ccc(C(N)=O)cn2)C1 1875295256 VJIZEZDYXSQOSF-HNNXBMFYSA-N 349.438 2.934 0 50 EFAA CN(C[C@H]1CCCOC1)C(=O)NCc1cc2ccccc2nc1O 1875278485 FAFOUFDFBLTYSW-CYBMUJFWSA-N 329.400 2.508 0 50 EFAA Cc1ccc(NC(=O)CN(C)C(=O)Cc2c[nH]c3cccnc23)cc1 1875316272 FJRDAUXIKRFDRU-UHFFFAOYSA-N 336.395 2.511 0 50 EFAA COC(=O)[C@H](NC(=O)c1cc2cccc(C)c2[nH]1)C1C[C@@H]2C[C@H]2C1 1875344573 MBCGQCXNBMOHHZ-GDZNZVCISA-N 326.396 2.794 0 50 EFAA CCn1cccc1C(=O)NC[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 1875406296 AZVNMUCOHIWNBU-FPCVCCKLSA-N 349.450 2.661 0 50 EFAA O=C(O)C1([C@@H]2CCN(S(=O)(=O)c3ccoc3)c3ccccc32)CC1 882790722 ISNRMJXZCLIVHM-CQSZACIVSA-N 347.392 2.827 0 50 EFAA CC(C)(CNC(=O)[C@@H]1CCCN1Cc1ccccn1)C1CCOCC1 887392242 GJTPSIXXIHYJOS-SFHVURJKSA-N 345.487 2.615 0 50 EFAA CC[C@H](NC[C@H]1CCCN(C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1775994968 XIUAFWROHFLWLW-IKGGRYGDSA-N 339.524 2.953 0 50 EFAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccccc1Cc1ccccc1 20614730 MNITTZVNOMUEBN-UHFFFAOYSA-N 335.363 2.961 0 50 EFAA O=S(=O)(C[C@@H]1CC[C@H](F)C1)N[C@@H]1Cc2ccc(Cl)cc2C1 2325776316 UFTSKFGSVHWJRW-WKPIXPDZSA-N 331.840 2.865 0 50 EFAA C[C@@H]1CN(CC(=O)NCc2cccs2)CCc2ccc(O)cc21 2325784372 YDQBFUSPUNAQSB-CYBMUJFWSA-N 330.453 2.732 0 50 EFAA C[C@@H]1CCCc2c(C(=O)NCc3ccccc3Cn3cccn3)cnn21 2325792592 WCPYANHNLSSAGW-OAHLLOKOSA-N 349.438 2.955 0 50 EFAA C[C@@H](C(=O)N(C)CCCN(C)C(=O)Cn1cccc1)c1ccccc1 2325824975 XVBJNFKOYKKQQC-QGZVFWFLSA-N 341.455 2.599 0 50 EFAA Cc1cc(-c2ccccc2)nc2cc(C(=O)NC[C@@H]3CCCO3)nn12 61376 QLYVSNSNGOCHQF-HNNXBMFYSA-N 336.395 2.614 0 50 EFAA CCc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1 303115 YTBCCCPVZZLWTE-GOSISDBHSA-N 336.435 2.961 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccncc1 536837 MZTVUVXXOSTNDW-HNNXBMFYSA-N 337.162 2.801 0 50 EFAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccc3O)n21 2356144817 NILPVRHOMZAVBF-ZDUSSCGKSA-N 334.379 2.754 0 50 EFAA CCOc1c(Cl)cc(CNCCCN2CCOCC2)cc1OC 4488526 YEFJEIJKEGJCHS-UHFFFAOYSA-N 342.867 2.559 0 50 EFAA CCn1cc(-c2n[nH]cc2-c2nc(-c3ccc4c(c3)CCO4)no2)cn1 225508818 KJUBRQXTYFZYNK-UHFFFAOYSA-N 348.366 2.945 0 50 EFAA CCCc1nc(CN2CCC[C@@H]2[C@](C)(O)c2ccc(OC)cc2)no1 225524845 WNQYKQZQNUBOOT-VQIMIIECSA-N 345.443 2.903 0 50 EFAA CC(C)c1c(C(=O)NC[C@H](N)C2CC2)cnn1-c1ccc(F)cc1 137496018 DTJDONIITAQWKP-INIZCTEOSA-N 330.407 2.602 0 50 EFAA O=C(NCc1cnc2c(c1)CCC2)c1cccc(Cn2cccn2)c1 65394564 RVRQWLUHDGMOQU-UHFFFAOYSA-N 332.407 2.745 0 50 EFAA O=C(NCc1ccco1)[C@@H]1CCCN1c1noc(-c2ccccc2)n1 134899290 NKVPFQAORCEASK-HNNXBMFYSA-N 338.367 2.615 0 50 EFAA COc1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1 10543196 MEIVPMFWKYETMS-UHFFFAOYSA-N 337.416 2.887 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCN1C(C)C 67966510 VKOWZQHYZTWLKP-QGZVFWFLSA-N 330.476 2.627 0 50 EFAA Nc1ccnc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 65381025 JEPVVYMXFUJRAE-AZUAARDMSA-N 347.418 2.808 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1F 348237937 DMEMOXQYBOGEFK-ZFWWWQNUSA-N 333.334 2.922 0 50 EFAA CN(C)[C@@H]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 170861349 PTIBUFKMGKMBJI-CQSZACIVSA-N 329.366 2.593 0 50 EFAA O=C(NC[C@@]1(CCO)CCOC1)Nc1ccccc1-c1ccncc1 118989416 ZWJGTFMXXKZMFW-LJQANCHMSA-N 341.411 2.659 0 50 EFAA CC(C)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 65500879 XLNHFOBEOSZOFN-KRWDZBQOSA-N 333.476 2.653 0 50 EFAA C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2ccncn2)C1 229748895 NLACYSOOCZOHOG-ZIAGYGMSSA-N 335.411 2.654 0 50 EFAA C[C@H](CNC(=O)N[C@@H]1C[C@H]1c1ccccc1F)CC1(C)OCCO1 252517594 MEUQGBZNWXQNRC-DUVNUKRYSA-N 336.407 2.770 0 50 EFAA CO[C@@H](C(=O)N1CCCCC[C@@H]1c1cccn1C)c1cnn(C)c1 281327003 SXMVBAXPMGLOSY-IAGOWNOFSA-N 330.432 2.590 0 50 EFAA CCCc1nnc(S[C@H]2CCN(c3ccccc3OC)C2=O)o1 122309258 BYLIGNQHOFFHTD-ZDUSSCGKSA-N 333.413 2.928 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 328593236 VNMFDXDOJHPEES-CVEARBPZSA-N 330.409 2.617 0 50 EFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2ccsc2)CC1 328631160 KDBFGEOVOPWUGR-SFHVURJKSA-N 344.484 2.941 0 50 EFAA COCc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)nc2)n1 72145590 YBUHKZVEBUHTID-UHFFFAOYSA-N 339.351 2.962 0 50 EFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(C(F)F)n[nH]1 219467430 JQVTVPHRTNIHAO-UHFFFAOYSA-N 331.326 2.522 0 50 EFAA C[C@H](c1ccccn1)N1CCN(CCCO[C@@H]2CCCCO2)CC1 253392738 UZCQCFUJKQZDJS-IEBWSBKVSA-N 333.476 2.694 0 50 EFAA CCOc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 124912225 ALZLRUUMQLNXLT-HOCLYGCPSA-N 339.457 2.513 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 155562205 ZGGHGLDIWUPQKD-INIZCTEOSA-N 339.439 2.770 0 50 EFAA Cn1cc(SCC(=O)NCCCn2ccnc2)c2ccccc21 215229160 MGYPFNMCXSSRFN-UHFFFAOYSA-N 328.441 2.673 0 50 EFAA C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccccc1-n1ccnn1 367754378 MTULWQJZDFWEHM-MRXNPFEDSA-N 348.454 2.982 0 50 EFAA Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1sccc1F 340441548 CDMNSOHSTRKQLC-UHFFFAOYSA-N 327.402 2.993 0 50 EFAA O=C(C[C@H]1CSCCS1)NCc1cnn(Cc2ccccc2)c1 158150108 MAYKTBGHKWDBLB-INIZCTEOSA-N 347.509 2.786 0 50 EFAA Cc1cc(C)n(-c2cncc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2)n1 378402545 MFNDRJDLJUWNHZ-DLBZAZTESA-N 341.459 2.922 0 50 EFAA c1cn(C[C@@H]2COCCO2)c(-c2ccc(CN3CCCC3)s2)n1 71751671 VZAORHGAGPXUSP-CQSZACIVSA-N 333.457 2.623 0 50 EFAA C[C@@H](c1ccon1)N(C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 72123955 GKAZNRDCZHWGGY-MRZGDXHCSA-N 337.383 2.813 0 50 EFAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)NCc1ccc2c(c1)OCO2 240551413 GTMMSDDPHXCXQH-CVEARBPZSA-N 330.428 2.544 0 50 EFAA COC(=O)c1coc(CN2CCC[C@H]2c2nc3ccccc3n2C)n1 77554855 GPOZGMOFGVSJKU-HNNXBMFYSA-N 340.383 2.685 0 50 EFAA COc1ccccc1OC1CCN(C(=O)c2cnc(C)nc2C)CC1 77319340 YJLXDPRWTWSMBY-UHFFFAOYSA-N 341.411 2.786 0 50 EFAA Cc1cc(=O)cc(C(=O)NC[C@@H]2CCN(c3ccccc3C)C2)o1 220336279 VRKXVYMJRBYLHO-HNNXBMFYSA-N 326.396 2.513 0 50 EFAA COCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 496774076 QOGYDAIPOBUZQS-QGZVFWFLSA-N 346.443 2.611 0 50 EFAA O=C([C@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1)N1CCCC1 229220045 KEIWJERWWKHGBJ-MJGOQNOKSA-N 338.455 2.953 0 50 EFAA C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2cn(C)cn2)C1 178206240 QCEQDBRENHUUPR-HOTGVXAUSA-N 340.471 2.828 0 50 EFAA CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN2)cc1 225447078 HFHWWCRPJVPLCB-HXUWFJFHSA-N 337.467 2.783 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@@H](OCCO)C1 179048515 DJAICDDRLJWJNA-CYBMUJFWSA-N 336.819 2.743 0 50 EFAA Cc1cccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 91896106 OIENQMVXBFOLDL-UHFFFAOYSA-N 343.515 2.761 0 50 EFAA CCOCCS(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 179272185 RBAZLSGDGNWGET-UHFFFAOYSA-N 347.864 2.550 0 50 EFAA O[C@H]1CCCOC12CCN(c1nnc(-c3ccccc3)s1)CC2 95354425 KYDTVKZAJYMKJF-AWEZNQCLSA-N 331.441 2.715 0 50 EFAA OCc1cccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 426387716 OUXIAZBHOKVLPE-UYAOXDASSA-N 325.408 2.736 0 50 EFAA CC(=O)c1cc(-c2ncnn2Cc2ccc3c(c2)OCO3)cs1 97323842 UJHQDRSLPOOWHB-UHFFFAOYSA-N 327.365 2.986 0 50 EFAA Cc1ccc(N2CC[C@H](Nc3ncnc4c3ncn4C3CC3)C2=O)cc1 292841098 VGPJGMMAGBBAQG-HNNXBMFYSA-N 348.410 2.687 0 50 EFAA Cn1cccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91746887 BJJAOZIAXUZYQF-QFBILLFUSA-N 349.478 2.729 0 50 EFAA CCCOC[C@H]1CCN(C2CCN(c3nc(C)cc(C)n3)CC2)C1 95524898 FYEHERRFFNJONJ-KRWDZBQOSA-N 332.492 2.811 0 50 EFAA CC(C)O[C@H](C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 97619690 NWJKNELNHXJABX-CYBMUJFWSA-N 325.836 2.964 0 50 EFAA Cc1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 95527072 WAJPONSAQJPSMO-KRWDZBQOSA-N 334.427 2.809 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1C 97334344 TWTQHXGKODRVFQ-UHFFFAOYSA-N 333.395 2.904 0 50 EFAA COCCn1cncc1CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95369026 IRRSOSTZNIIFIK-KRWDZBQOSA-N 343.427 2.607 0 50 EFAA CNC(=O)CNC(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 95510143 BVZLRRCYHNSKBD-HNNXBMFYSA-N 330.815 2.724 0 50 EFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](C(=O)O)C1 237491880 CTOHVKYCMBDABJ-ZJUUUORDSA-N 329.755 2.570 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)COc1c(C)ccc(C)c1C)CC2 299755067 AWQWNOHZZFMAIN-FUHIMQAGSA-N 347.455 2.522 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)c2ccccc2-n2cncn2)n1 584903261 XSEJSACZGSTBPH-NSHDSACASA-N 327.413 2.566 0 50 EFAA COc1cc(NC(=O)C[C@@H](C)c2ccccc2)cc(-n2cnnn2)c1 952985609 CLQZQMHRLBFIOU-CYBMUJFWSA-N 337.383 2.803 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2C(=O)O)cc1OC 269128141 ZUPWQGHKIHFTMP-GFCCVEGCSA-N 341.791 2.827 0 50 EFAA Cc1nc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c(C)s1 269757756 VNSILTZJLLRPPM-UHFFFAOYSA-N 348.453 2.930 0 50 EFAA CCc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n(C)n1 170633868 LFTNKOSKHFRDGK-UONOGXRCSA-N 334.464 2.642 0 50 EFAA CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2nnnc2C)cs1 170601007 BEUSDRSYTCETRO-UHFFFAOYSA-N 348.819 2.824 0 50 EFAA CNC(=O)CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 170610049 LHAMSFQXYDKCTN-UHFFFAOYSA-N 337.301 2.842 0 50 EFAA CO[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C)c1ccccc1 170613371 GUFYRQOHHFMDAD-KRWDZBQOSA-N 337.416 2.941 0 50 EFAA CN1CCC(C)(CNC(=O)Nc2ccc(Br)nc2)CC1 272631760 BLDGBCBNLQEMGA-UHFFFAOYSA-N 341.253 2.698 0 50 EFAA O=S(=O)(CC1CCCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 167226820 TWAKSVGDBRYWPI-OAGGEKHMSA-N 327.490 2.834 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(C(N)=O)c2)cs1 186891551 KWLAUMQFUNIVKO-AWEZNQCLSA-N 330.413 2.919 0 50 EFAA CC1(C)CCN[C@@H]1C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 638680889 BVAVBPYOMWTFHU-MRXNPFEDSA-N 346.475 2.506 0 50 EFAA CC1(C)CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC(C)(C)O1 189554748 TWFKYCJIWPQFSQ-UHFFFAOYSA-N 344.455 2.839 0 50 EFAA C[S@](=O)c1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 190220360 ADOUKPRAQRRYPA-HJPURHCSSA-N 336.457 2.847 0 50 EFAA Cc1ccccc1CCc1cc(NC(=O)c2c[nH]c(=O)cc2C)[nH]n1 191302708 KRKFRTOEBJEZOO-UHFFFAOYSA-N 336.395 2.752 0 50 EFAA CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2)C1 191372437 KWYCWFQNNBWXQF-OLZOCXBDSA-N 327.222 2.816 0 50 EFAA O=C(Nc1ccc2ncsc2c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 192677903 KRBRPNNGJTVRMJ-MRVPVSSYSA-N 343.330 2.646 0 50 EFAA Cc1cc(Br)cc(C(=O)N2CCc3n[nH]cc3C2)c1C 665973016 VDUDUOHWPSYVRJ-UHFFFAOYSA-N 334.217 2.988 0 50 EFAA CC1(C)NC(=O)CC[C@H]1NC(=O)C1(Cc2ccccc2Cl)CC1 670004579 FNSMTXXJMWFVOS-CQSZACIVSA-N 334.847 2.836 0 50 EFAA Cc1cc(C[C@H]2CN(C(=O)c3cc(Cl)ccc3C)C[C@@H]2O)on1 1616069791 CIMKGCIJKXFXEF-LRDDRELGSA-N 334.803 2.620 0 50 EFAA Cc1ccn(-c2cccc(C(=O)N3NC(=O)C[C@H]3c3ccccc3)c2)n1 1654089297 NLVIPWUDCYQCET-SFHVURJKSA-N 346.390 2.799 0 50 EFAA Cc1n[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 5730059 RLCSMNBXTMMNQD-UHFFFAOYSA-N 327.207 2.606 0 50 EFAA COCC1CCN(C(=O)c2coc(COc3ccccc3F)n2)CC1 12430618 MAFVZAYPJUJNAX-UHFFFAOYSA-N 348.374 2.891 0 50 EFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1CCCCCC1 12624504 JEUNPXYBTGRPPU-DZKIICNBSA-N 339.505 2.551 0 50 EFAA biogenic O=C(N[C@H]1CC(=O)N(CCCc2ccccc2)C1)c1ccsc1 12745577 IOCKLEJQVVBPFF-INIZCTEOSA-N 328.437 2.712 0 50 EFAA O=C(Nc1cccc(F)c1)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15069559 UMOYXNRDRWLBIZ-INIZCTEOSA-N 345.349 2.887 0 50 EFAA CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1Br 16577974 PIIVVJKGHVDIIL-UHFFFAOYSA-N 345.218 2.590 0 50 EFAA COc1cccc2ccc(CN3CCN(c4ccncc4)CC3)nc12 19794526 YHSNCNYJSNBBNY-UHFFFAOYSA-N 334.423 2.961 0 50 EFAA CC[C@@H](c1cn2cccnc2n1)n1ccnc1-c1ccnc(OC)c1 1857693942 TZCYFDUUDJGXSW-HNNXBMFYSA-N 334.383 2.996 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC[C@H](c2ccccc2)N1 1857732310 LJHUPVOIHMXOBE-QZTJIDSGSA-N 326.444 2.569 0 50 EFAA Cc1cccc(COc2cccc(NC(=O)[C@H](C)S(C)(=O)=O)c2)c1 110509838 WLMHUQVNIVIUQI-AWEZNQCLSA-N 347.436 2.946 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1c1ncncc1Br 225579056 KRIPVCXXINCEQH-WCFLWFBJSA-N 326.238 2.759 0 50 EFAA Clc1ccc(CN2CCC(N[C@@H]3CCc4ncnn4C3)CC2)cc1 253415532 CQMYUAKMFIZNGH-QGZVFWFLSA-N 345.878 2.501 0 50 EFAA NC(=O)[C@H](c1ccccc1)N1CCC(c2ccccc2C(=O)O)CC1 364038928 OOGICCOEMLMDQS-SFHVURJKSA-N 338.407 2.791 0 50 EFAA O=C(CCc1ccccc1C(=O)O)Nc1cccc2c1OCC[C@@H]2O 911602184 GQFAUZONBCNAGS-INIZCTEOSA-N 341.363 2.772 0 50 EFAA CN1CC[C@@H]2CN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@H]2C1 812335220 UWALNUXYEXISJJ-HZPDHXFCSA-N 341.480 2.763 0 50 EFAA O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2ccco2)CC1 820030246 WRQOCJSUZSNUEG-UHFFFAOYSA-N 338.371 2.667 0 50 EFAA O=C(c1ccnc2cc(Cl)ccc12)N1CCOC[C@]12CCOC2 935821232 FVSPEVUVXCHUJX-QGZVFWFLSA-N 332.787 2.520 0 50 EFAA O=C(O)CCc1ccccc1C(=O)Nc1cc2c(cn1)OCCC2 1875270884 VLHZDVQEJHNHID-UHFFFAOYSA-N 326.352 2.676 0 50 EFAA Brc1cccc(-c2noc([C@H]3CCc4ncnn4C3)n2)c1 1875259359 UOQOEDGSGPBZOJ-JTQLQIEISA-N 346.188 2.821 0 50 EFAA CCc1nc(-c2cccc(NC(=O)NC[C@@H]3CCCN3C)c2)no1 1875302082 ZDVOURHFGFYQLU-AWEZNQCLSA-N 329.404 2.515 0 50 EFAA Cc1cccn2cc(C(=O)N[C@@H](c3ccccc3)[C@@H]3COC[C@H]3N)cc12 1875405238 AWMLBZVOHIOFKR-GGPKGHCWSA-N 349.434 2.693 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccncc1 886031620 FKJDGEVNPJAMAF-LPHOPBHVSA-N 348.406 2.512 0 50 EFAA CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NCC2CC2)CC1 888097395 IABPADAKQOEVNM-UHFFFAOYSA-N 349.431 2.929 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CO1)N[C@@H]1CC[C@@H](OC(F)F)C1 888100023 XKNXYLOZVAQAIY-KFWWJZLASA-N 340.370 2.587 0 50 EFAA Cn1cc(CCNC(=O)N[C@H]2CCOC23CCCC3)c2cccnc21 896239484 LYBMPNUGHLKYLX-INIZCTEOSA-N 342.443 2.517 0 50 EFAA CCCc1[nH]ccc1C(=O)N1CCN([C@H](C)c2ccccn2)CC1 1775986534 FJLSJQJELOVYKH-OAHLLOKOSA-N 326.444 2.881 0 50 EFAA Cc1ccc2c(c1)S[C@H](C(=O)N1CCOCCC13CCOCC3)C2 2325786664 NZWUAODDOQTEMP-KRWDZBQOSA-N 347.480 2.810 0 50 EFAA O=C([C@H](F)CC1CC1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 2325821715 UKXKJTCBMKEXOH-HLLBOEOZSA-N 332.419 2.634 0 50 EFAA Cc1ccc2c(ccn2CC(=O)N2CCN[C@@H](Cc3ccccc3)C2)c1 2325859189 QNQLWQXWHPJSMH-FQEVSTJZSA-N 347.462 2.993 0 50 EFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 123762 WGPLHUCTAJURFT-UHFFFAOYSA-N 348.280 2.940 0 50 EFAA O=C(O)CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 286270 HWYDITNEQUJCSB-UHFFFAOYSA-N 333.369 2.589 0 50 EFAA CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 367858 MVXNOQOLPLZMJF-UHFFFAOYSA-N 326.352 2.604 0 50 EFAA CCC(=O)NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 455839 UFNVWPNLRVDUBK-UHFFFAOYSA-N 343.387 2.783 0 50 EFAA COc1cc(NS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 1114558 ITGNFYNLYRYIRX-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCc2ccccc21 4348261 NJLGMWUUELXFKA-UHFFFAOYSA-N 329.421 2.830 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3cncc(N)n3)cc2)C1 2356169447 BUOWDFCTFCAWIR-INIZCTEOSA-N 340.427 2.757 0 50 EFAA COc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 7105305 ZBJAXFBJZQOMBR-UHFFFAOYSA-N 339.439 2.628 0 50 EFAA Cn1nc(I)c2cc(Br)ccc21 59856780 KDKLJZGIJMKMRP-UHFFFAOYSA-N 336.958 2.940 0 50 EFAA COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCC23OCCO3)o1 225806683 FNEYOTWJMDUZPP-HUUCEWRRSA-N 335.400 2.633 0 50 EFAA Cn1ncnc1CN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 134196984 IHLVAIFHFKPHDP-OAQYLSRUSA-N 348.450 2.651 0 50 EFAA COc1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1OCc1cccnc1 344887484 SBOBALOMZOCRSO-IRXDYDNUSA-N 346.402 2.574 0 50 EFAA C=Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)COC)C3)C2)c1 67788268 SUWQZKKHVHCPBT-HXUWFJFHSA-N 328.456 2.791 0 50 EFAA C[C@@H](NC(=O)NCc1cccc(OC(C)(C)C)n1)c1cnn(C)c1 347769296 IDSLFEHJWKGARS-GFCCVEGCSA-N 331.420 2.553 0 50 EFAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCO2 215510299 YBLRQFYGKHGQGD-HNNXBMFYSA-N 325.364 2.581 0 50 EFAA CC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1 77753528 IJSCUCPSKVBYMT-HNNXBMFYSA-N 333.476 2.627 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C 67649953 ZACHRMBYDLOHBC-DLBZAZTESA-N 336.439 2.761 0 50 EFAA CS(=O)(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 22464482 HLFLVUOCQGFIKX-UHFFFAOYSA-N 329.381 2.699 0 50 EFAA COC[C@@H](C)NCc1cc(=O)[nH]c(-c2csc3c2CCCC3)n1 63847114 VTQZHRZYGZMVQL-LLVKDONJSA-N 333.457 2.502 0 50 EFAA C[C@H](CNC(=O)N1CCOCC2(CCC2)C1)N1CCc2ccccc21 354194102 TXECACYUAMREMC-MRXNPFEDSA-N 343.471 2.650 0 50 EFAA CC(C)c1nc2ccccc2n1CC(=O)NCC1CCN(C)CC1 67883645 DECPGMZQSBMCNI-UHFFFAOYSA-N 328.460 2.618 0 50 EFAA Cc1cnc(C(=O)NC[C@@H]2CCN(C/C=C/c3ccccc3)C2)cn1 67983349 DFZFEXMJFJRUKI-MOTZXUDYSA-N 336.439 2.550 0 50 EFAA CSCC[C@H](C(=O)Nc1ccc2nc(CO)[nH]c2c1)n1cccc1 409413089 BSZINLOXUGRTNA-OAHLLOKOSA-N 344.440 2.790 0 50 EFAA CC1(C)Cc2cccc(CN[C@H]3CC(=O)N(CC(F)(F)F)C3)c2O1 120421727 KCTHSCCHIUYTCA-ZDUSSCGKSA-N 342.361 2.653 0 50 EFAA O=C(c1ccccc1F)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67742545 GUZSKLMMETVCOM-XJKSGUPXSA-N 343.354 2.545 0 50 EFAA CCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c3c(Cl)cccc23)C1 154199250 IIOIWBBLMHFGJD-SNVBAGLBSA-N 334.807 2.803 0 50 EFAA CCOC(=O)Cc1nc2ccccc2n(Cc2cccc(C)c2)c1=O 5952825 SWCRNFYJYTYWFV-UHFFFAOYSA-N 336.391 2.859 0 50 EFAA CCNc1nc(C)c(C(=O)NCc2nc(C)c3c(n2)CCCC3)s1 216341133 KHAOYPLREKTMOH-UHFFFAOYSA-N 345.472 2.791 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)no1 253433452 XBUULEPQINJWFT-GTNSWQLSSA-N 347.371 2.655 0 50 EFAA C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)C1 328644063 RPJZBZRWINYSRA-RHSMWYFYSA-N 330.476 2.684 0 50 EFAA CSc1ncc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)cn1 219859901 MNUYLKJCLFBQRJ-LBPRGKRZSA-N 339.424 2.875 0 50 EFAA C[C@H](C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)S(C)(=O)=O 363962406 MCUTZMLVWNXHCY-MFKMUULPSA-N 349.374 2.802 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)Nc3cccc(OCCF)c3)C2)cn1 123202932 ZCYXSXSPCOHZPO-ZDUSSCGKSA-N 332.379 2.790 0 50 EFAA CC(C)Oc1cccc(C(=O)N2CCN3CCOc4cccc2c43)n1 329134303 ZOAYBDGCUNOUOB-UHFFFAOYSA-N 339.395 2.728 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)Nc1cncnc1-n1cccn1 125689328 SKFTUBQXUKRYRC-ZDUSSCGKSA-N 335.367 2.557 0 50 EFAA CC[C@H](NC(=O)Cc1cccs1)c1ccc(S(C)(=O)=O)cc1 72117779 FGXAWHJDBYYQRH-HNNXBMFYSA-N 337.466 2.962 0 50 EFAA O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@H]2CNCCC[C@H]21 368446710 MBYFHBDMPJVPIT-JFDVKVQISA-N 326.440 2.625 0 50 EFAA CC(=O)c1cccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 219305045 ZGQAOKKBACEAMR-UHFFFAOYSA-N 348.446 2.814 0 50 EFAA Cc1nc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)no1 72128852 YPTOPWMQAXUGIH-IAOVAPTHSA-N 346.381 2.723 0 50 EFAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1cccc(C(C)(F)F)c1 286364408 YIEAYHMJOMFJIU-QWHCGFSZSA-N 341.402 2.717 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cccnc21 333385908 CCOHQDYGHXNCCW-IKGGRYGDSA-N 334.423 2.692 0 50 EFAA Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 72316228 HGVHSNXRZYOTPD-UHFFFAOYSA-N 335.385 2.530 0 50 EFAA in-vitro C[C@H](N[C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 240534509 GOEBIVANAPHXJY-QKPAOTATSA-N 342.480 2.558 0 50 EFAA Cc1cc(C(=O)N2CCCNCC2)cc(C)c1OCc1cccnc1 237686211 BGBVWSYFALUWBJ-UHFFFAOYSA-N 339.439 2.713 0 50 EFAA O=C(c1cc2ccccc2nc1O)N1CCC[C@@H]2CNCCC[C@@H]21 373552262 PORPKRFTRURLEC-PBHICJAKSA-N 325.412 2.545 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)c1n[nH]c2ccc(Cl)cc12 284235978 KIUYHRQIMPZNJE-GFCCVEGCSA-N 344.806 2.635 0 50 EFAA CCCN(CC(=O)O)C(=O)c1cccnc1Nc1ccccc1OC 262410206 XIAXAFLRUYSLOH-UHFFFAOYSA-N 343.383 2.771 0 50 EFAA CN1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 133329420 VEONZLQKOGQMIX-MRXNPFEDSA-N 340.471 2.994 0 50 EFAA CSCc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)o1 220382309 BHOYEFNLCWJGED-BFQNTYOBSA-N 332.425 2.780 0 50 EFAA COCc1ccccc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 262852672 HXTZBWKQVJIREF-ZWKOTPCHSA-N 339.391 2.773 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1 378094956 PIPDFSSAMQSZGL-HKUYNNGSSA-N 345.487 2.747 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)NCCc1nc2ccccc2n1C 426412799 NUKOQJDJFJVBNG-HNNXBMFYSA-N 344.459 2.716 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 263395909 FMFYKSGIFXGXLN-HZPDHXFCSA-N 338.492 2.990 0 50 EFAA Cc1nc2c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)cccc2[nH]1 223441507 FOHXRPBRSMSWJT-PBFPGSCMSA-N 336.395 2.508 0 50 EFAA O=C(NCC[C@@H](c1ccccc1)c1ccco1)N1CCC(O)CC1 426527726 IFPZYTYZWUORFB-KRWDZBQOSA-N 328.412 2.968 0 50 EFAA Cn1c(CN2CCS[C@H]3CCCC[C@@H]32)nc2ccccc2c1=O 177204484 WUMIMBNNQJQVMP-HOTGVXAUSA-N 329.469 2.794 0 50 EFAA C[C@H](N)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 178809021 RFHMKZKKBMZDGU-NSHDSACASA-N 332.835 2.930 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 92003801 VWTRAKHAHNOYIU-UKRRQHHQSA-N 346.862 2.934 0 50 EFAA C[C@H](c1ccon1)N(C)C(=O)c1ccc(Cl)cc1OCCCN 426421707 BFTBEFONFPWXCQ-LLVKDONJSA-N 337.807 2.889 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 91950853 MTQPPMADNMFIAQ-CYBMUJFWSA-N 345.418 2.912 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 97527204 HJLJXRSDGHPSSQ-LBPRGKRZSA-N 338.415 2.655 0 50 EFAA Cc1cccc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 91713938 KZTMGBUYZJTNQG-TZIWHRDSSA-N 342.483 2.580 0 50 EFAA c1ccc(C[C@H]2CN(c3ncnc4c3ncn4C3CC3)CCO2)cc1 292813772 SGILPBUTDCPCHK-INIZCTEOSA-N 335.411 2.609 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N3CCC(N4CCOC4=O)CC3)cc2C1 91643471 NIHSZYZUNNLTDI-GFCCVEGCSA-N 348.468 2.930 0 50 EFAA COc1ccc(CCN[C@H](CO)COc2cccc(C)c2)cc1OC 96028203 NXEPCYASZROQQK-QGZVFWFLSA-N 345.439 2.584 0 50 EFAA CCN1CCCC[C@@H]1C(=O)NCCCN1CCCc2ccccc21 97553419 DILRHAGTBCJDSS-LJQANCHMSA-N 329.488 2.820 0 50 EFAA CC(C)c1noc(-c2ccc3c(c2)nc(N2CCOCC2)n3C)n1 95377886 GWFLINKLSFVYJL-UHFFFAOYSA-N 327.388 2.583 0 50 EFAA O=C(NC[C@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1 96151144 DPDSVUFNTNZHHM-INIZCTEOSA-N 328.456 2.763 0 50 EFAA CCc1cc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)ccn1 95373016 BGBSMMZPDIGUKM-ZDUSSCGKSA-N 326.396 2.634 0 50 EFAA C[C@@H](NC(=O)c1cnn2c1C[C@H](CN(C)C)CC2)c1cccs1 299741878 HMHOUNSTFACFBH-CHWSQXEVSA-N 332.473 2.560 0 50 EFAA C[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CC1)c1cn(C)c2ccccc12 185037084 QNVPGUBEHJIIOX-UGSOOPFHSA-N 339.439 2.551 0 50 EFAA Cn1cc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccc21 299767177 GYBMLCMFNLJFBZ-UHFFFAOYSA-N 341.455 2.552 0 50 EFAA CC(C)Cc1ncc2c(n1)CN(Cc1nnc(-c3cccnc3)o1)C2 299779006 JAZXWEBHWUEPBC-UHFFFAOYSA-N 336.399 2.636 0 50 EFAA Cc1cc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cn2ccnc12 584895230 RAZMHZDCBOWUKH-UHFFFAOYSA-N 336.439 2.943 0 50 EFAA COc1cc2c(cc1CN1CCC[C@@H](c3cc[nH]n3)C1)OCCCO2 670465591 SHSUAVVCCIPDSG-CQSZACIVSA-N 343.427 2.959 0 50 EFAA Clc1cccc(-c2nnc(N3CCC[C@@H](Cn4ccnn4)C3)o2)c1 1351997336 JJRYVFITFNWTLX-GFCCVEGCSA-N 344.806 2.898 0 50 EFAA O=C(c1nc2c(s1)CCCC2)N1CCC(O)(c2cccnc2)CC1 952865947 ZRJSVGIHOKKWLN-UHFFFAOYSA-N 343.452 2.541 0 50 EFAA OC[C@@H]1CCCCN1CCNCc1ccc(-c2ccccn2)cc1 952966466 JQNKRERKNLENHP-IBGZPJMESA-N 325.456 2.685 0 50 EFAA O=C(NCc1cccc(C(F)(F)F)n1)[C@H]1CC(c2ccccc2)=NO1 1460161150 QSAWRNWGGLHRQO-CQSZACIVSA-N 349.312 2.910 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)CCSCc1ccc(F)cc1 1565511676 QAIRWDLQEPBMGH-HOTGVXAUSA-N 341.448 2.759 0 50 EFAA COC(=O)c1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 165800358 JCNPMRGNMAMAJJ-INIZCTEOSA-N 344.367 2.980 0 50 EFAA COc1ccccc1C[C@](C)(CO)NCc1ccc2c(c1)ncn2C 631236281 XTDMMWSWWWEUAH-HXUWFJFHSA-N 339.439 2.665 0 50 EFAA Cc1ccc(O)c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1 273342054 APMVJYADYZNSPS-ZDUSSCGKSA-N 325.368 2.625 0 50 EFAA Cc1noc(C)c1CCOc1ccc(O[C@@H]2CCCCNC2=O)cc1 170599478 ZFPBNWVBJABTJW-GOSISDBHSA-N 344.411 2.960 0 50 EFAA Cn1nc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)ccc1=O 187111014 BCXZPJOXZANQHO-UHFFFAOYSA-N 346.799 2.810 0 50 EFAA COC(=O)c1cncc(NC(=O)N2Cc3ccccc3C3(CC3)C2)c1 187602933 IDFYHZYSVQFWID-UHFFFAOYSA-N 337.379 2.948 0 50 EFAA Cn1c(=O)oc2ccc(CN3CCC(F)(c4ccccn4)CC3)cc21 639633090 PBVADTZYCMZKIZ-UHFFFAOYSA-N 341.386 2.987 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 190563678 MEURDANPSJRMEH-CQSZACIVSA-N 332.473 2.682 0 50 EFAA Cn1cc([C@@H](NC(=O)c2ncc(F)cc2F)c2ccc(F)cc2)cn1 190720360 MBXFQWOVTOCGRT-HNNXBMFYSA-N 346.312 2.752 0 50 EFAA C[C@@H](NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C(C)(C)C 190710678 AHKWQZTYBSYAFX-WBVHZDCISA-N 332.492 2.980 0 50 EFAA CC(C)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1nnnn1C1CC1 190840965 FBTXQXPZWLCOKN-STQMWFEESA-N 342.447 2.809 0 50 EFAA CCOc1ccccc1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 647220169 BJUXYENOTIMADS-PXNSSMCTSA-N 339.439 2.790 0 50 EFAA CCOc1ccccc1C(=O)N1CCN(C[C@@H]2CCC=CO2)CC1 193684937 YJAGNLBJRHUXTH-INIZCTEOSA-N 330.428 2.536 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@H](C)N3CCc4ccccc43)CC2)n1 195085892 YKXQAHMBPNCYOV-ZDUSSCGKSA-N 340.427 2.535 0 50 EFAA Cc1c(C(=O)N[C@@H]2CCc3c(nnn3C)C2)sc2cccc(F)c12 654113156 CFNBDEJBQMRHAO-SNVBAGLBSA-N 344.415 2.765 0 50 EFAA CN(C)C(=O)[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 735949337 CIGHAQKPZGPAPZ-HNNXBMFYSA-N 335.306 2.657 0 50 EFAA CCCn1nc(C)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1C 1529153905 WPYKMSDDMNHDHU-AWEZNQCLSA-N 326.400 2.974 0 50 EFAA CO[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1Cc1cc(C)no1 1529158556 GFCYGRSISBDZSL-ABAIWWIYSA-N 336.338 2.591 0 50 EFAA Cc1n[nH]c(C)c1CN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529101975 SOJIKBIDXNXXBI-OXQOHEQNSA-N 336.439 2.610 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1O 212622219 AUNBIVCPBAUXME-CVEARBPZSA-N 325.364 2.641 0 50 EFAA Cc1ccc([C@H]2CN(Cc3ccncc3)C[C@@H]2NC(=O)C2CC2)cc1 212717527 PLWIZYXQZFFPEL-UXHICEINSA-N 335.451 2.884 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC[C@H]1CN1CCc2ccccc21 140466495 MEAJLDFTTPJDGW-KRWDZBQOSA-N 339.439 2.888 0 50 EFAA CNCc1nnc(NCC[C@H]2CCCCN2Cc2ccccc2)o1 1772703315 WOWMNCSJIIVPAC-MRXNPFEDSA-N 329.448 2.646 0 50 EFAA COc1cc(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)cc(Cl)c1OC 1772712170 IVSUBTLFZKVRMT-YPMHNXCESA-N 338.835 2.552 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775979476 IPJREKHBBYHZKZ-HXUWFJFHSA-N 337.423 2.855 0 50 EFAA O=C(c1ccccc1NCc1ccccn1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982773 OYXRCVUQPFGNMP-SCAQPMJSSA-N 337.423 2.537 0 50 EFAA O=S(=O)(c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1 12439524 VAHWCQOZSBEBAY-QGZVFWFLSA-N 331.437 2.709 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(CC3CCCC3)CC2)C1 15075651 SPUBKSTXINGBEP-KRWDZBQOSA-N 333.520 2.632 0 50 EFAA COC(=O)[C@@H](c1ccccc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857708533 YQWLOWQQIOCBAU-GOSISDBHSA-N 325.412 2.602 0 50 EFAA COc1c(C)cc(C)cc1CN1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857740325 NLCWJBZFLIVPQI-QEUVDIPISA-N 344.499 2.853 0 50 EFAA C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 119219202 SBKOAGTWDDATOI-WBVHZDCISA-N 326.444 2.510 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)o1 328615443 YKWNKTBHQDLYOB-OAGGEKHMSA-N 341.411 2.897 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2cc(-c3cccc(F)c3F)n[nH]2)CC1 134375939 ZLRRQXZTIAKXSE-UHFFFAOYSA-N 348.353 2.552 0 50 EFAA Nc1nc(C2CC2)ncc1C(=O)Nc1ccc(Nc2ncccn2)cc1 357363569 KZIDFUMZLWTNPB-UHFFFAOYSA-N 347.382 2.722 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 156277875 CXPAEYPLGJQASB-CHWSQXEVSA-N 332.835 2.725 0 50 EFAA OCCCCCCN1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 852762390 LUUGNQQKJYOPMS-UHFFFAOYSA-N 334.508 2.609 0 50 EFAA CCC(CC)CN(CC)C(=O)c1cccn1CCN1CCOCC1 864059032 WYEIFJAQCDGIKX-UHFFFAOYSA-N 335.492 2.719 0 50 EFAA CC1(c2nnc(-c3cccc(F)c3)o2)CN(c2cnc(F)cn2)C1 952893130 HLEWUQXDQFSOHD-UHFFFAOYSA-N 329.310 2.583 0 50 EFAA CC[C@@H]1CN(C)CCN(C(=O)c2cnc3c(cnn3CC(C)C)c2)C1 1875278478 CJMSMNIOAWVCIK-OAHLLOKOSA-N 343.475 2.501 0 50 EFAA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)ccc21 1875372066 VLFVLIMXRWSVAC-CHWSQXEVSA-N 338.329 2.832 0 50 EFAA O=S(=O)(c1ccccc1)c1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1 1875385643 XXXCWZHDMAAKNA-OXJNMPFZSA-N 343.448 2.992 0 50 EFAA c1cnc(-c2cc(Nc3ccc(O[C@@H]4CCOC4)cc3)ncn2)nc1 1875332018 KEGQZCXCPGQUSR-OAHLLOKOSA-N 335.367 2.845 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nc(C(C)(C)C)no2)C1 888103010 ZKQAGZCLAVYOOL-OLZOCXBDSA-N 333.436 2.669 0 50 EFAA O[C@H](c1ncn(Cc2ccc(F)cc2Br)n1)C1CC1 1775989956 HKULDNHDKGODNM-LBPRGKRZSA-N 326.169 2.671 0 50 EFAA Cc1ccc(S(=O)(=O)NCCc2ccccc2)c2nsnc12 33018 XXAOTWRCPMKULF-UHFFFAOYSA-N 333.438 2.521 0 50 EFAA Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)cc1 90490 KSBCJHNPMZHFGA-UHFFFAOYSA-N 326.381 2.651 0 50 EFAA CN(C)C(=O)Cc1ccc(Nc2ccccc2C(=O)N(C)C)cc1 2100478162 WHQLHUINSYYKBL-UHFFFAOYSA-N 325.412 2.763 0 50 EFAA O=C(CCc1ccc2ccccc2n1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O 2325778161 FOTCBMNTFXNZMK-GZOSKZMVSA-N 338.407 2.783 0 50 EFAA N[C@@H]1CCCN(C(=O)c2cnc(-c3ccc4sccc4c3)cn2)C1 2325796662 BICCJLSQJZQFEZ-CQSZACIVSA-N 338.436 2.922 0 50 EFAA C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1C(=O)c2ccccc2C1=O 193320 YLIGLOWKZYTPQO-VIFPVBQESA-N 330.290 2.588 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 2708086 JJGAYYGJZXNFFL-UHFFFAOYSA-N 336.438 2.527 0 50 EFAA O=C(C(=O)N1CCC(O)(c2ccccc2)CC1)c1c[nH]c2ccccc12 3631205 VNKZRFPWCQNHAU-UHFFFAOYSA-N 348.402 2.861 0 50 EFAA O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1 4744345 VPKMUJDPUSQDDJ-UHFFFAOYSA-N 328.865 2.589 0 50 EFAA Cc1ccn(S(=O)(=O)c2cc(C)c(C)cc2Br)n1 6697918 IOCWVXBXOIHQKL-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1cccc(Cl)c1 6742095 JPPCXDZDPFMUFN-SECBINFHSA-N 340.836 2.669 0 50 EFAA CC(C)Cc1ncc(NC(=O)c2cnc(C(F)(F)F)nc2)cn1 349014023 PMOWNMKDBFBTDB-UHFFFAOYSA-N 325.294 2.736 0 50 EFAA CC[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1OC 9062038 IBXOYOBKAVJEHK-VIFPVBQESA-N 336.251 2.843 0 50 EFAA CO[C@@](C(=O)NCc1cc(C)on1)(c1ccccc1)C(F)(F)F 20654261 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C[C@@H]1CC(NC(=O)c2sccc2S(=O)(=O)N(C)C)C[C@@H](C)C1 172469695 OLNPAALAUZAIFA-QWRGUYRKSA-N 344.502 2.553 0 50 EFAA O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2 2597329 BVOXWAQFSMYEDZ-AWEZNQCLSA-N 343.335 2.858 0 50 EFAA CN1CCC(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 2792367 HYDIWHDVVCGYEL-UHFFFAOYSA-N 334.313 2.747 0 50 EFAA CN(C)C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72151097 CFHVCQHKXXXJRW-IAOVAPTHSA-N 335.398 2.508 0 50 EFAA Cc1ccc(CCC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)o1 328615715 YWNBIZYCGCZQRF-AWEZNQCLSA-N 333.388 2.627 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccoc2)CC1 328644018 RNPOTGCNFQSFNB-GOSISDBHSA-N 327.428 2.730 0 50 EFAA CC[C@@H]1CN(C(=O)c2cccnc2)CCC(=O)N1Cc1ccccc1 71614344 ZDOKMNCAJDNHKM-GOSISDBHSA-N 337.423 2.735 0 50 EFAA C/C(=C\c1ccccc1)CN1CCN(c2cncc3nc(C)nn23)CC1 434611456 HHOULEMAHPTTKW-FOWTUZBSSA-N 348.454 2.658 0 50 EFAA O=C(NCCNc1cc(N2CCCC2)ncn1)c1ccc(Cl)cc1 72115664 NPJXOONULHDPJZ-UHFFFAOYSA-N 345.834 2.572 0 50 EFAA CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc(Cl)c2NC)C1 124875447 WEVODQYVSHJWOK-RYUDHWBXSA-N 339.871 2.693 0 50 EFAA O=C(CN1CCOC[C@H]1CC(=O)c1cccs1)Nc1ccccc1 154430884 FAPZGOKFVSBUTR-OAHLLOKOSA-N 344.436 2.660 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 364959284 YROSMHLURSDSPR-CQSZACIVSA-N 329.404 2.583 0 50 EFAA CC1CCN(C2CCC(NC(=O)N3CCC[C@@H](O)[C@H]3C)CC2)CC1 334000206 RASVZIYZRYVCPX-AQEOSJORSA-N 337.508 2.584 0 50 EFAA CCN(C(=O)NCc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 157000513 SNKRYCIQTMVWJI-LJQANCHMSA-N 338.455 2.888 0 50 EFAA NC[C@@H]1CCCN1C(=O)Cc1ccc(Cl)cc1Br 237951893 RZKWHOSOCYVQJL-NSHDSACASA-N 331.641 2.595 0 50 EFAA CCn1ncnc1CN1CCO[C@@H](Cc2cccc3ccccc23)C1 71523627 QSXJBAZOFDLXME-SFHVURJKSA-N 336.439 2.895 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 242047795 VQEUWAKZOABISU-QGZVFWFLSA-N 344.434 2.886 0 50 EFAA Cn1cc(CC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cn1 131850755 MJRISTLEVOFFCX-MOPGFXCFSA-N 341.455 2.858 0 50 EFAA CCc1cc(N2CCC(NC(=O)N3CCCC[C@@H]3C)CC2)ncn1 175464062 YMBOTHUJSFBGMB-AWEZNQCLSA-N 331.464 2.592 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]nnc2c1 176735413 DOXABMRXXMXNRZ-GOSISDBHSA-N 347.378 2.861 0 50 EFAA CCc1nnsc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 176965663 OQOQDKRXFMCTLV-UHFFFAOYSA-N 348.819 2.646 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(C)n1C1CC1 195289521 HPANSJIDJSKMBB-CQSZACIVSA-N 341.459 2.900 0 50 EFAA Cc1cc(C)n([C@H](C)c2nc(-c3c(C)ncc4c3CCNC4)no2)n1 20993197 KQZXMWIPUCOXTH-CYBMUJFWSA-N 338.415 2.508 0 50 EFAA O=C(CCn1cnccc1=O)N[C@@H]1CCCc2sc(Cl)cc21 292147959 RQWCKLATEDQVGI-LLVKDONJSA-N 337.832 2.542 0 50 EFAA CCCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 91914559 DPKBZFOQZZAPFP-ZDUSSCGKSA-N 349.500 2.811 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cccc4cc[nH]c34)C2)n1 426477475 XZUVWJPXXBKNOZ-OAHLLOKOSA-N 338.411 2.829 0 50 EFAA Cc1nccn1CCCC(=O)N1CCCC[C@H]1CCN1CCCC1 95370645 FULSINQBCRGZJM-SFHVURJKSA-N 332.492 2.839 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c(C)o1 91504773 MGWZCMFCEJOUJI-DLBZAZTESA-N 348.443 2.613 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1nccs1 162796568 JUAVRQFZHATYFN-QWHCGFSZSA-N 349.460 2.950 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N1CC[C@H](N(C)C)[C@H](CCCO)C1 91624946 KMYQDRBLDJPNEA-PBHICJAKSA-N 338.879 2.813 0 50 EFAA COc1cc(OC)c(CN2CCO[C@@H]3CCCC[C@H]32)c(C(=O)O)c1 97632056 RZYJQDWCNMLQIO-HZPDHXFCSA-N 335.400 2.545 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCc1n[nH]c2c1CCCC2 244626850 FTTVCPJBJVAHKO-HNNXBMFYSA-N 339.439 2.683 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(SCCO)cc1 244734280 NCQNEDOYBODQIN-LLVKDONJSA-N 333.457 2.612 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)[C@@H](C)C(=O)Nc1ccccn1 243956940 CEPNLXCVOPRQMP-LBPRGKRZSA-N 329.404 2.581 0 50 EFAA CCn1c(COc2cccc3c2OC(C)(C)C3)nnc1[C@H]1C[C@@H](N)C1 244874197 WWGYVYDCHWDMFM-OKILXGFUSA-N 342.443 2.795 0 50 EFAA O=C([C@H]1CCCNCC1)N1CCCN(CCCc2ccccc2)CC1 299786919 YFWCBFLLUKRKDR-FQEVSTJZSA-N 343.515 2.543 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@H](O)CC1)c1cnn(-c2ccc(F)cc2)c1 299768151 GOSTWSNNVKVFJN-DCGLDWPTSA-N 331.391 2.740 0 50 EFAA COCc1cc(CNC(=O)Cc2csc(-c3ccccc3)n2)[nH]n1 824475311 NGMVLXYKGCDGKP-UHFFFAOYSA-N 342.424 2.539 0 50 EFAA O=C1C[C@@H](C(=O)N2CCOc3ccccc3C2)C2(CCCCC2)O1 584902330 ZNUVKNMNJSXCRN-HNNXBMFYSA-N 329.396 2.674 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)c1C 952987636 NRCADPJBVHWAGQ-OAHLLOKOSA-N 328.416 2.735 0 50 EFAA Cc1ccc2c(ccn2CCNC(=O)c2cnn(C)c2-n2cccc2)c1 952964031 OTMYXCNOABBONL-UHFFFAOYSA-N 347.422 2.904 0 50 EFAA Cn1ccnc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565505829 LUBSBJGMOSPMTO-AEFFLSMTSA-N 328.435 2.656 0 50 EFAA Cc1cc(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc2sc(N)nc12 952971153 RDSBEEVXYPNDCB-TUAOUCFPSA-N 348.472 2.623 0 50 EFAA Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 274058387 DCQPLQZKCBMWKJ-CYBMUJFWSA-N 346.290 2.767 0 50 EFAA CCc1nn(C)c(CC)c1CNc1ccc2nnc(C(C)(C)C)n2n1 274744982 AQBQEJQIBNTZJZ-UHFFFAOYSA-N 341.463 2.892 0 50 EFAA O=C(NS(=O)(=O)[C@@H]1CCOC1)C1(C2CCCCC2)CCCCC1 408478566 CZHDXDLFPXBQMM-OAHLLOKOSA-N 343.489 2.752 0 50 EFAA Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N[C@@H](C)C(C)C 408515801 QWRGSAJLEKBDKK-AWEZNQCLSA-N 348.447 2.565 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(N[C@@H]2CS[C@@H](C(C)C)C2)CC1 408514462 HPLDIWUYYNWXPW-JKSUJKDBSA-N 348.578 2.556 0 50 EFAA COc1cccc([C@H](C)N2CCN(Cc3nc(C4CC4)n[nH]3)CC2)c1 170594609 FOQSKVOROOJELB-AWEZNQCLSA-N 341.459 2.570 0 50 EFAA CC(C)(C)n1cc(NC(=O)Cc2cccc(N3CCOCC3)c2)cn1 170607962 MACIIPYYBWAPMR-UHFFFAOYSA-N 342.443 2.656 0 50 EFAA Cc1ccc(F)cc1C(=O)N(C)Cc1ccc(OCC(=O)O)cc1 187541067 URFOTWSMRWGKOV-UHFFFAOYSA-N 331.343 2.870 0 50 EFAA COCCn1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)n1 188965091 YHHWZILHQFMHSM-KRWDZBQOSA-N 330.432 2.626 0 50 EFAA Cc1ccc2ncc(CN3CC[C@@H](c4cc(O)nc(O)n4)C3)cc2c1 639713463 JEDGDONIVWWFPP-CQSZACIVSA-N 336.395 2.734 0 50 EFAA Cc1nnsc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 190537413 GKOQCSZSTDVHSQ-NSHDSACASA-N 336.848 2.899 0 50 EFAA O=C(Nc1c[nH]nc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 774222310 CRCRPKSFVYTTFX-QMMMGPOBSA-N 339.182 2.708 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)c3nnc(C(C)(C)N)o3)c2)n1 1772707741 YNIWUNRVNBWQIU-UHFFFAOYSA-N 340.431 2.702 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCOC1 12319104 YHAMFPROOTZIRW-CQSZACIVSA-N 328.368 2.535 0 50 EFAA Cc1ccc2c(C)c(C(=O)NC[C@@H]3CCS(=O)(=O)C3)oc2c1C 12589830 WWBFLWFXPFOSFJ-ZDUSSCGKSA-N 335.425 2.523 0 50 EFAA CC/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 14815686 MKYUCBXUUSZMQB-OADLNGDBSA-N 328.449 2.797 0 50 EFAA endogenous,in-man O=C(c1cccnc1)[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 14955970 OVHGQQUMGHUGQW-OAHLLOKOSA-N 349.394 2.622 0 50 EFAA O=C(c1cccc2c(Cl)cccc12)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668876 PHXFJPBAMLKANY-ORAYPTAESA-N 345.826 2.964 0 50 EFAA Cc1ccc(-c2nccn2C[C@@H](O)CN2CCCC2)c2cccnc12 1857699105 IADJLFXOMOXZEK-INIZCTEOSA-N 336.439 2.863 0 50 EFAA Cc1cccc(C)c1NC(=O)N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857732056 AEVQCKJNCFDSHS-IXDOHACOSA-N 329.444 2.677 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1 221846879 QWDJVCBZIJULOU-RCCFBDPRSA-N 331.460 2.642 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c(Cl)cc1F 237327584 FQQJFRBUKJOSPZ-MNOVXSKESA-N 334.844 2.535 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1F 247262148 RRWBGOUFUBDDCS-DOTOQJQBSA-N 349.450 2.503 0 50 EFAA CN1CCC[C@H](CSc2nnc(NC[C@H]3CCCO3)s2)C1 248083784 AUOOHTRWAYLJIZ-NWDGAFQWSA-N 328.507 2.563 0 50 EFAA Cc1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)on1 252485381 GSUXMBHKHJSHPS-SNVBAGLBSA-N 341.136 2.748 0 50 EFAA Cc1nc2ccc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nn2n1 252502258 UOVUONBMFNNMCI-UHFFFAOYSA-N 339.243 2.754 0 50 EFAA C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 253420017 HZVSSFTWLJEYSZ-LAVFITLUSA-N 332.444 2.816 0 50 EFAA Cc1noc([C@@H](NC(=O)c2cc(F)ccc2F)C2CCOCC2)n1 376682521 UPOYLIBCIWWTFU-AWEZNQCLSA-N 337.326 2.554 0 50 EFAA CN1C[C@@H](C(=O)N(C)C2CCC(F)(F)CC2)c2ccccc2C1=O 377166829 BUWQKKKUQBMXLS-OAHLLOKOSA-N 336.382 2.892 0 50 EFAA Cn1c(C(=O)O[C@@H]2Cc3ccccc3C2=O)cc2ccccc2c1=O 803871927 QTRUDZZBUJKRAB-QGZVFWFLSA-N 333.343 2.503 0 50 EFAA CN(C(=O)C1(c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cn1 905883261 QTFXYTXTHBPSIV-UHFFFAOYSA-N 328.343 2.687 0 50 EFAA O=C(N1CC[C@@H](c2cc(O)n[nH]2)C1)C1(c2cccc(F)c2)CCC1 826609025 KNJCRFWOGAZRPO-GFCCVEGCSA-N 329.375 2.692 0 50 EFAA COC[C@@H]1COCCN1C(=O)Nc1ccc(-c2ccccc2)c(C)n1 931485590 NPYSJHFTYKFWDI-MRXNPFEDSA-N 341.411 2.936 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1119715310 REZRQMAPVXEXQE-IBGZPJMESA-N 348.406 2.910 0 50 EFAA O=C(c1ccc(Cl)c2occc12)N1CCO[C@@H](c2ncon2)C1 935329315 MIYSRKSAJXSFDP-GFCCVEGCSA-N 333.731 2.683 0 50 EFAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 858307041 ZERWBWXNOKFOEZ-LBPRGKRZSA-N 343.452 2.940 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCOC[C@@H]1N1CCCC1 952850379 XAWFRDKSHFOSHI-SQNIBIBYSA-N 346.471 2.522 0 50 EFAA CC(C)c1n[nH]cc1NS(=O)(=O)c1ccc(OC(F)F)cc1 1875280025 QJEFYEMIKOQSGE-UHFFFAOYSA-N 331.344 2.935 0 50 EFAA Cc1cc(C)[nH]c(=NC[C@@H]2CCCN2C(=O)OCc2ccccc2)n1 1875345835 KCRWTQQCSRHHCO-KRWDZBQOSA-N 340.427 2.728 0 50 EFAA C[S@](=O)(=NC(=O)[C@H](O)c1cc(F)cc(F)c1)c1ccccc1 1875356424 JZZHILHIUMXQOH-JLCFBVMHSA-N 325.336 2.682 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Cc3cccnc3)cc2)cn1 1875384314 DVOMMCAVRMZUCD-DVECYGJZSA-N 334.423 2.669 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3c(C)cncc3C)C2)o1 1775957729 KIVGYIFBJPWGOM-KGLIPLIRSA-N 328.416 2.785 0 50 EFAA CCc1c(NC(=O)Cc2cc3c(cc2Cl)OCCO3)n[nH]c1C 2100543166 NPQCRGXXRNKDJY-UHFFFAOYSA-N 335.791 2.886 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)C[C@H]3C[C@H](N)C3(C)C)CC2)c1 2325799731 USBMXTNGRAGMDW-KDOFPFPSSA-N 347.478 2.983 0 50 EFAA Cc1cc(C)n(Cc2cccc(CNC[C@H]3OCCOC3(C)C)c2)n1 2325810938 RLGNXOJAQFPIGM-LJQANCHMSA-N 343.471 2.832 0 50 EFAA Cc1nnc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)s1 150855 WRRPDOYKPXSJRK-VIFPVBQESA-N 345.380 2.667 0 50 EFAA aggregator O=c1nc2sc3ccccc3n2c(=O)n1-c1ccc(Cl)cc1 208892 VSCAHUFEOQIMGP-UHFFFAOYSA-N 329.768 2.714 0 50 EFAA Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1NS(C)(=O)=O 10314808 COUGPEFAOMFNHC-UHFFFAOYSA-N 326.462 2.777 0 50 EFAA COc1cc(CN2CCN(c3ccccc3F)CC2)cc2c1OCO2 23115130 HWUXCOBBULWXKB-UHFFFAOYSA-N 344.386 2.885 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCc1cccc(Cl)c1 101445622 JLDWZGLMMQQRNA-UGQVUOCMSA-N 333.815 2.912 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 249699086 WOMJMSQEKBTPRC-DLBZAZTESA-N 344.455 2.937 0 50 EFAA CCOc1cc2c(cc1CNc1nc(C)cc(OC)n1)O[C@H](C)C2 344421999 PVGGPSWNDDWXNL-GFCCVEGCSA-N 329.400 3.128 0 50 EFAA CCN(CCOc1ccc(OC)cc1)C(=O)c1ccc(COC)o1 55053265 BXEUVDWNKDIENC-UHFFFAOYSA-N 333.384 2.976 0 50 EFAA Cc1ccc2[nH]c(C(=O)NC3CCN(c4ncccn4)CC3)cc2c1C 116727560 QCLCGSWXUIITBT-UHFFFAOYSA-N 349.438 2.974 0 50 EFAA CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@]2(C)CCO[C@H]2C)c1 345480737 PDTRYGVDGUAFEH-CKFHNAJUSA-N 347.459 2.582 0 50 EFAA O=C1CCC[C@H](CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)N1 345547652 TUFIBSJRQQBIBM-LLVKDONJSA-N 334.725 2.757 0 50 EFAA CCn1ncc(C(=O)NCCc2csc(-c3cccnc3)n2)c1C 65451485 PEMZLMIIJCLTCG-UHFFFAOYSA-N 341.440 2.702 0 50 EFAA CCOC(=O)c1noc(CSc2ccc(C(C)=O)cc2OC)n1 345844019 YMDRMWPVMJTJLU-UHFFFAOYSA-N 336.369 2.750 0 50 EFAA COc1nc2ccccc2cc1CN1CCC[C@H](CNC(C)=O)C1 67805981 ZSMBYRGLIAMKSG-OAHLLOKOSA-N 327.428 2.592 0 50 EFAA Cc1oc(-c2cccs2)nc1Cc1nc(-c2cnc[nH]c2=N)no1 350813789 CGDCGXVWGAQELZ-UHFFFAOYSA-N 340.368 2.555 0 50 EFAA Cc1nc[nH]c1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67789208 GEABOUAOXDUOIY-ZWKOTPCHSA-N 335.407 2.862 0 50 EFAA COc1ccc(NC(=O)[C@H]2CCCCO2)cc1N1CCCCC1=O 120036767 JHYUMDOXINXNLT-MRXNPFEDSA-N 332.400 2.720 0 50 EFAA C=CCN(C1CC1)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 322565480 RSEBDDNYTZNYPI-UHFFFAOYSA-N 337.441 2.578 0 50 EFAA Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1 1403962 NJRHNVJZMDOEEZ-UHFFFAOYSA-N 333.391 2.922 0 50 EFAA CCc1c(C(=O)N2CCN(CCSC)CC2)[nH]c2ccccc12 215819261 FMIKZYNSHTZXNH-UHFFFAOYSA-N 331.485 2.851 0 50 EFAA Fc1cc(F)cc([C@@H]2CN(C3CCNCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72167844 QRGPIHQSELZCAY-XUVXKRRUSA-N 347.453 2.579 0 50 EFAA CCOc1ccncc1S(=O)(=O)Nc1cccc2cccnc12 436477171 HEJUEYZCUOTVKM-UHFFFAOYSA-N 329.381 2.829 0 50 EFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H](NC(N)=O)C(C)(C)C 253406025 VAOXDFSTZGGSEY-GFCCVEGCSA-N 345.365 2.747 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCCN(Cc2ccccc2F)CC1 72410317 TZFLEGRVUZPUNV-UHFFFAOYSA-N 344.434 2.606 0 50 EFAA Cc1cc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)ccn1 332126674 NAKFAIQMASKSOR-UHFFFAOYSA-N 328.387 2.739 0 50 EFAA CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(N(C)C)ccn1 131478535 HJSDQAWSRGRCDK-GOSISDBHSA-N 327.428 2.652 0 50 EFAA COC(=O)C1(NCc2ccc(-n3ccnc3)nc2)CCCCCC1 154826646 WZASDXHLTMOXEU-UHFFFAOYSA-N 328.416 2.623 0 50 EFAA COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc(F)c1C 361981040 APQHDQKUULMFOX-UHFFFAOYSA-N 339.344 2.642 0 50 EFAA Cc1nc([C@@H]2CCCN(Cc3cnc(-c4ccccn4)nc3)C2)no1 215678574 OTTTVSHQMVWJHY-OAHLLOKOSA-N 336.399 2.610 0 50 EFAA CC(C)c1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2F)no1 127255933 BXYKSIFNMIRENH-ZDUSSCGKSA-N 346.362 2.634 0 50 EFAA Cc1nc(N)sc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71748605 ZMXLPBILADNNBI-LBPRGKRZSA-N 337.832 2.901 0 50 EFAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3COCCN3)c2)C1 237508018 ZJAGHNLXZHRAQQ-OLMNPRSZSA-N 332.444 2.709 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1 262210935 UEERZWBVFRTBFJ-KRWDZBQOSA-N 343.354 2.667 0 50 EFAA CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cccnc1 132698304 RVARWDDNFVXVRF-UHFFFAOYSA-N 340.832 2.771 0 50 EFAA O=C1CCCN1[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 71745322 CWZAWWHHTZOZOM-SFHVURJKSA-N 338.455 2.518 0 50 EFAA COC(=O)N1[C@H]2C[C@@](C)(Br)[C@@](C)(Br)C[C@H]21 45069513 UMWVRFNGHWUNIB-FZVWYJBASA-N 341.043 2.907 0 50 EFAA CC(C)c1c(NS(=O)(=O)C[C@@H]2CCCO2)cnn1-c1ccccc1 241383545 MWCRJELBMYRLHU-HNNXBMFYSA-N 349.456 2.916 0 50 EFAA C[C@H](C(=O)Oc1cccc(-c2ncc(N)cn2)c1)C1CCOCC1 241316908 LVXNAECJICJZBO-LBPRGKRZSA-N 327.384 2.694 0 50 EFAA NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 242287965 YJVWHLLNKPGNAO-LSDHHAIUSA-N 329.425 2.821 0 50 EFAA O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@H](C2CCOCC2)C1 242317039 YWUJENOEOBHGOF-HNNXBMFYSA-N 341.415 2.548 0 50 EFAA Cn1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c2ccccc21 223282955 LZNSSIHZEVCSDB-WFEDQXDTSA-N 339.439 2.897 0 50 EFAA CC(=O)Nc1ccc(C)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 263406988 HYRZOZVYHXUWIV-AWEZNQCLSA-N 332.400 2.670 0 50 EFAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC[C@H](c3ccccc3)C2)cc1 130407590 BZCDIQHWHFYPHN-ZWKOTPCHSA-N 344.480 2.802 0 50 EFAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1C 82107805 OEMPKFPRRRPTSE-NRFANRHFSA-N 344.499 2.890 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 426361651 FBMOPKHLYNDBON-AUNFYEFLSA-N 325.412 2.861 0 50 EFAA O=C(c1cnn2ccccc12)N1CCCN(c2ccc(F)cc2)CC1 82134548 HHDGMXPYLXVDME-UHFFFAOYSA-N 338.386 2.826 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccncc3C)CC2)cc1F 223395609 FSSDBOVNRDMHHP-UHFFFAOYSA-N 329.375 2.500 0 50 EFAA CCOc1ccc(C(C)=O)cc1NC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 426584879 UGPHCIVWKUIKCC-CVEARBPZSA-N 345.443 2.988 0 50 EFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1ccnn1C1CCCCC1 96500261 SOTGDQPDXRIUBF-CYBMUJFWSA-N 345.447 2.521 0 50 EFAA CC(C)c1nc2c(n1C)CCN(C(=O)CCc1cncc(F)c1)C2 180212070 FRGMLZJWYQAYID-UHFFFAOYSA-N 330.407 2.595 0 50 EFAA Cc1noc(C)c1CC(=O)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 180315232 WVMFBUITMJKSBZ-CVEARBPZSA-N 342.395 2.551 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)C1=Cc2ccccc2OC=C1 95367486 CIMWFYGAZWOJPL-KRWDZBQOSA-N 340.423 2.836 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 95354462 GMJOGXHBVSOVSX-QGZVFWFLSA-N 330.407 2.688 0 50 EFAA COc1cccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c1 244659579 HFEBAHGQTMFNFW-GQIGUUNPSA-N 340.423 2.651 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2Cc2nnc(-c3cccnc3)o2)n1 244574740 CQNWTOLWBSUIRD-ZDUSSCGKSA-N 340.387 2.975 0 50 EFAA COc1ccc(-c2nc3nccc(-c4cccnc4)n3n2)c(OC)c1 253402440 GJVCCESQJBSGNZ-UHFFFAOYSA-N 333.351 2.871 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 299743263 MUDLXURDBYMRBP-LBPRGKRZSA-N 348.424 2.590 0 50 EFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccc(O)c1 252552065 UNEZLFDXTNMXBM-HHXXYDBFSA-N 339.391 2.569 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCC1(CN2CCCC2)CC1 534588386 UISOAXGCTRZBIM-GOSISDBHSA-N 345.487 2.628 0 50 EFAA C[C@H](NC(=O)CN(C)C1CCCC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989688 VHTALNKAQUPRDK-XRQSOVCCSA-N 334.504 2.697 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1nc[nH]c2ncnc1-2 952975963 DGZDIPMJJCZIOR-UHFFFAOYSA-N 337.362 2.858 0 50 EFAA CCCCn1nc(-c2ccco2)nc1[C@@H]1CCCN(C(=O)COC)C1 952967573 LAIGEFSQDCPHEF-CQSZACIVSA-N 346.431 2.691 0 50 EFAA Cc1ccc([C@@H](CNC(=O)CCN2CCCCCC2=O)N(C)C)cc1 952979207 UBHIFYUYMHJQIE-GOSISDBHSA-N 345.487 2.507 0 50 EFAA CCS(=O)(=O)c1cccc(C(=O)N(C)C2Cc3ccccc3C2)c1 270562176 KCWJSUAHBOVBLF-UHFFFAOYSA-N 343.448 2.720 0 50 EFAA Cc1ccc(O)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 273342052 APMVJYADYZNSPS-CYBMUJFWSA-N 325.368 2.625 0 50 EFAA COc1ccccc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 276349009 VVMYQUUYEAEFJE-JKSUJKDBSA-N 344.459 2.788 0 50 EFAA O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1c[nH]nc1C1CC1 170597761 HNVUALZVPOQKNE-UHFFFAOYSA-N 347.802 2.684 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)cc1Br 190995437 DTXLHDZTRMWZEW-ZYHUDNBSSA-N 342.233 2.889 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N2CCS[C@@H](C)CC2)n1 192382720 NOFPUZORXJCKNT-ZDUSSCGKSA-N 346.460 2.638 0 50 EFAA COC[C@@H](NC(=O)NCC1CCOCC1)c1ccc(Cl)cc1 194359791 AVQQNPRFOWIELI-OAHLLOKOSA-N 326.824 2.753 0 50 EFAA O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 198824092 FDSVWYAAIIZSHC-GFCCVEGCSA-N 338.342 2.694 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2noc3c2CCCC3)c2ccccc21 669436212 DNCUNTLJETWHLP-GFCCVEGCSA-N 326.352 2.772 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@H]2O)on1 1529195654 MSRVWWOYIBROAG-UKRRQHHQSA-N 342.420 2.873 0 50 EFAA CN(C)CCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1 1529174545 VMRCBJRFMKSPED-UHFFFAOYSA-N 338.864 2.867 0 50 EFAA Cc1cc(N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)nc2ccccc12 1529090986 MAEOHVJMPBCRJH-PXNSSMCTSA-N 340.423 2.985 0 50 EFAA Cc1cc2cccc(C(=O)N3CCN4[C@@H](C5CC5)COC[C@H]4C3)c2o1 1529119363 VIAQRSXRSAZCIR-SJLPKXTDSA-N 340.423 2.676 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CCOC[C@@H](C(=O)O)C2)cc1 1772804193 JAANHIDCDTZDSG-INIZCTEOSA-N 347.455 2.980 0 50 EFAA CCSc1ncc(-c2nccn2-c2ccc3c(c2)nnn3C)cn1 1775976539 BDKUDFXYSWYSTI-UHFFFAOYSA-N 337.412 2.723 0 50 EFAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 5283577 BOWDQQBFAHOLHZ-UHFFFAOYSA-N 341.392 2.994 0 50 EFAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2cccc3c2OCO3)CC1 11768452 BUVSZIZBZVUXJP-KRWDZBQOSA-N 347.455 2.949 0 50 EFAA CCN1C[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)CC1=O 12194990 HQYNXIKJGNBISE-GFCCVEGCSA-N 348.834 2.690 0 50 EFAA Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1)N1CCOCC1 19227754 PUTBXKTUVKCXMD-LJQANCHMSA-N 349.438 2.701 0 50 EFAA COc1ccc(C[C@@H]2CN(Cc3ccc4nonc4c3)CCO2)cc1 19607691 XSDWIZYHWYDCNV-QGZVFWFLSA-N 339.395 2.675 0 50 EFAA COc1cc(C(=O)O)cc(OC)c1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875248565 XYKQIDYSOIFNLC-AWEZNQCLSA-N 341.363 2.673 0 50 EFAA COc1c2c(nc3occc13)[C@@](CCC(C)(C)O)(OC)[C@H](O)CC2 199418 KHGNFPUMBJSZSM-ACJLOTCBSA-N 335.400 2.536 0 50 EFAA biogenic,in-vitro Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H](C)CCc2ccco2)CC(=O)N1C 328628111 NIAWNRHMGSDBER-JOKNJTHLSA-N 344.459 2.513 0 50 EFAA CC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2O)C1 332518890 YIVWDRUTGHNTDG-QGZVFWFLSA-N 340.423 2.605 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 337157785 QOLUBJVQNREDRD-OTWHNJEPSA-N 331.456 2.624 0 50 EFAA O=C(Nc1cccc(F)c1)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)O)c1 362492573 NJARBQJMBSAXHD-HUUCEWRRSA-N 342.326 2.737 0 50 EFAA O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 262419873 CLMNSPQNYBXGNR-LSDHHAIUSA-N 339.347 2.898 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc3ccc(O)nc23)C1 263411164 IZPDZWHTACPHSG-GFCCVEGCSA-N 328.368 2.657 0 50 EFAA COC[C@H](C)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 264620750 RBLHLDPVQFDRQY-BLLLJJGKSA-N 325.836 2.895 0 50 EFAA O=C(N[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1ccccc1)C1CC1 940767111 JEXKHFLNJRDZTP-DLBZAZTESA-N 340.448 2.883 0 50 EFAA O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 862221715 DMEVVBRTVLBUMC-CQSZACIVSA-N 326.400 2.798 0 50 EFAA Fc1cnc(N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)cn1 952892697 GMIKPFKGMINUHO-CYBMUJFWSA-N 343.284 2.587 0 50 EFAA O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)N1CCC[C@@H]1CO 952993361 MVXUIYAONXIUIJ-DOMZBBRYSA-N 328.334 2.557 0 50 EFAA C[C@](NC(=O)[C@@H]1CCCc2scnc21)(C(=O)O)c1ccccc1 1875292713 QNBRMVGXOUWZGX-SJKOYZFVSA-N 330.409 2.679 0 50 EFAA CCn1cc([C@H](O)CNC(=O)NCc2ccccc2C(C)C)cn1 1875277114 ITXRHBNEHQKWLF-QGZVFWFLSA-N 330.432 2.559 0 50 EFAA Cc1nnsc1[C@H](C)Nc1ccc(N2CCC(N(C)C)CC2)cn1 1875285645 UVHSRYYADORMGQ-LBPRGKRZSA-N 346.504 2.945 0 50 EFAA CCOc1ccc(-c2cn([C@@H](C)CNC(=O)C3CC3)nn2)cc1F 1875352669 OYZITWAMLDGOTC-NSHDSACASA-N 332.379 2.570 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)cn1 886094583 ADSSJXASOPMRMX-OMPKRAJASA-N 332.423 2.999 0 50 EFAA Cc1nnnn1-c1ccc(C(=O)N2COCC[C@@H]2c2ccccc2)cc1 888197041 MCPLJZNNMLFWBK-GOSISDBHSA-N 349.394 2.532 0 50 EFAA CC(C)C(=O)N[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988440 AKSDZAOPPWOCPG-NWDGAFQWSA-N 338.333 2.974 0 50 EFAA Cc1nc(O)c2ccc(C(=O)N[C@H]3[C@@H]4c5ccc(F)cc5C[C@H]43)cc2n1 898984100 HJHOKNCKBKCSNN-KBAYOESNSA-N 349.365 2.851 0 50 EFAA Cc1nn(C2CCOCC2)cc1CNC[C@@H]1Cc2ccccc2O1 2325777566 LMQVJFNAFWKAGF-SFHVURJKSA-N 327.428 2.636 0 50 EFAA CCc1c(CNCc2nc3ccccn3c2Br)cnn1C 2325790461 MYGHUOHPLNFCGU-UHFFFAOYSA-N 348.248 2.683 0 50 EFAA O=C(O)c1ncoc1[C@H]1CCCCN1C(=O)c1noc2c1CCCC2 2325821661 LBYCGDBAZAMRCU-LLVKDONJSA-N 345.355 2.607 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC2(CC2)C1 2325868579 BOPHPMVMENFLFZ-RYQLBKOJSA-N 326.440 2.616 0 50 EFAA CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 117101 IEBXWYDMPKXTMI-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 446055 ZMRJSXJKEVTHDE-UHFFFAOYSA-N 338.816 2.843 0 50 EFAA Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c1 2079118 BNPYWBCWMMSNJC-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA COCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2819078 PMJGZIRWEARIMC-NTFDOXNWSA-N 347.414 2.915 0 50 EFAA COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1Cl 3356594 YDUHFRUFOAHFKT-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2cn3ccccc3n2)C1=O 2356164481 UTERNTKTMGRLSO-IBGZPJMESA-N 326.444 2.701 0 50 EFAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1O 4869817 AKJKANMMXVAJRF-UHFFFAOYSA-N 326.381 2.704 0 50 EFAA C[C@H]1C[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)CS1 412616360 YBKLOTOFEAUVSE-NWDGAFQWSA-N 339.482 2.950 0 50 EFAA Cc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10314510 SOPFVTPTEOHZGO-UHFFFAOYSA-N 332.425 2.605 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2c(F)cccc2F)c1 10364910 AFGFNAGJHUCMOD-UHFFFAOYSA-N 326.324 2.589 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccccc21 8231906 JICIHIDUXPYNJQ-UHFFFAOYSA-N 346.770 2.713 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)c2cnc3ccccn3c2=O)c(C)s1 65494475 KSQGWHKDNZPDAG-JTQLQIEISA-N 342.424 2.601 0 50 EFAA CCC1(NC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 67605487 SRCVQNDFHWLIPO-HXUWFJFHSA-N 330.472 2.505 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc[nH]2)C1 252515147 HOUZWSTUQXMDIW-VVRPULACSA-N 337.489 2.941 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)c1ccccc1F 252670450 KPZVAYXFTOMPBP-XJKCOSOUSA-N 328.453 2.536 0 50 EFAA CN(C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 38537044 YHBPKKHFQCUHQC-UHFFFAOYSA-N 332.141 2.718 0 50 EFAA in-vitro Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@H]3O)ccc2n1 253396566 PIOLYLOXJJPDKB-BHIYHBOVSA-N 340.423 2.545 0 50 EFAA C[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3ccc(Cl)cc3)C1)C2=O 253420137 HHGMNSJJNWMRTN-PBHICJAKSA-N 333.819 2.735 0 50 EFAA CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)oc3C)c2)C1=O 358042179 RIVZXSFWSXINAK-HNNXBMFYSA-N 341.367 2.984 0 50 EFAA O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1Cc2ccccc21 358540074 RUISOZLVUKUPGX-INIZCTEOSA-N 349.839 2.570 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCC3(CC)CCC3)ccc21 77539131 JSLREOFTZJYSTQ-UHFFFAOYSA-N 345.443 2.676 0 50 EFAA CCCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 77406676 LDHHBBNPBXTERJ-OAHLLOKOSA-N 349.479 2.527 0 50 EFAA COc1ccc(-c2cnnc(NCC[C@@H]3CCCCO3)n2)cc1OC 12713813 DMQFZEVDEDXOMU-AWEZNQCLSA-N 344.415 2.927 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 236971390 CGFDWKWKOBVAAI-SUMWQHHRSA-N 342.395 2.890 0 50 EFAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1C[C@H]1CCCO1 12818342 YHMDBRFUOUAQHI-FZKQIMNGSA-N 334.375 2.980 0 50 EFAA biogenic O=C1NCCN(C(=O)NCCC2=CCCCC2)[C@@H]1c1ccccc1 154483002 ZNYWCYWRKZEMIG-QGZVFWFLSA-N 327.428 2.760 0 50 EFAA Cc1ccccc1CN(C)C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237150918 XFDCSPOVTZYQHR-SZMVWBNQSA-N 344.455 2.671 0 50 EFAA NC(=O)CN1CCc2ccc(NC(=O)c3coc4ccccc34)cc2C1 447683821 UJQAIZCYDIFGPH-UHFFFAOYSA-N 349.390 2.529 0 50 EFAA CNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2nccn2C)s1 77385942 JVUCYPIVASWLIH-ZDUSSCGKSA-N 347.488 2.854 0 50 EFAA O=C(NC1(C(=O)O)CCCCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 237946007 DJYHBWLQVAJHOB-HNNXBMFYSA-N 348.374 2.613 0 50 EFAA COc1ccc(CC(=O)N2CCC3(CCOCC3)CC2)cc1OC 219152454 GTOYPMPDTUAOIJ-UHFFFAOYSA-N 333.428 2.666 0 50 EFAA CSc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1 72432494 RCWQZULCZFLSKV-UHFFFAOYSA-N 339.424 2.656 0 50 EFAA CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC[C@H]1c1ccccc1 245438710 SHVUURVJIMJCOY-BPQIPLTHSA-N 343.471 2.819 0 50 EFAA O=c1[nH]c2ccccc2c(=O)n1Cc1cccc(-c2ccccn2)c1 158443402 GSZOHRCHDJZHBP-UHFFFAOYSA-N 329.359 2.800 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 241588487 PDOOLWJMFILIML-JKSUJKDBSA-N 345.393 2.696 0 50 EFAA CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1CCCN1C(=O)C(C)C 337649775 ZXKVFRIYLVQGNI-INIZCTEOSA-N 338.398 2.960 0 50 EFAA Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 241776741 RSARXTCSTCOICR-LBPRGKRZSA-N 348.752 2.818 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 242147539 WSNXAIFHUUKDSM-QAETUUGQSA-N 335.469 2.523 0 50 EFAA O=C(NCC1=CCCOC1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 287793414 BMNUXQPBDIYNIY-ROUUACIJSA-N 326.440 2.826 0 50 EFAA Cc1ccn2cc(C(=O)NCc3cnn(Cc4ccccc4)c3)nc2c1 46700938 JIPMYDZVSLMDRH-UHFFFAOYSA-N 345.406 2.818 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1 177212209 IFDYPDXJVDNLLD-LJQANCHMSA-N 349.438 2.741 0 50 EFAA CN1CCN(C(=O)c2ccc(-c3cccs3)cc2)C[C@@H]1CCO 426465494 SNVRGJZSMPMUEK-INIZCTEOSA-N 330.453 2.554 0 50 EFAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 426737369 ILHBAHQKMCJLRL-MRXNPFEDSA-N 340.427 2.757 0 50 EFAA O=C(Cc1ccsc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 223100008 MMNWJUISSWWIMT-RJYAGPCLSA-N 343.448 2.854 0 50 EFAA O=C(N1CCCC1)N1CCC(c2nccn2Cc2ccccn2)CC1 92045733 HFXMCSKPSBQDQF-UHFFFAOYSA-N 339.443 2.722 0 50 EFAA COc1cc(C(=O)O)cc(N2CCC[C@@H](c3nccn3C(C)C)C2)n1 95360485 KOZUQLMBOCVFGP-CYBMUJFWSA-N 344.415 2.950 0 50 EFAA Cn1ccnc1C1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 91535052 QLYSIEMTHYPMIW-KRWDZBQOSA-N 325.412 2.520 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 238075250 GVTUGCIBAUTPDG-AVGNSLFASA-N 327.302 2.885 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(N2CCNC2=O)cc1 293224698 JRJYIIIAOIBVPI-QGZVFWFLSA-N 335.407 2.504 0 50 EFAA CCCc1ccc([C@H](C)NC(=O)Cn2cccc(OC)c2=O)cc1 95520778 LJTMOFUTXATXKP-AWEZNQCLSA-N 328.412 2.687 0 50 EFAA Cc1ccccc1CSCCCNC(=O)[C@H]1CCCN(C(N)=O)C1 97600902 RLMLPWNRSQBGLH-HNNXBMFYSA-N 349.500 2.525 0 50 EFAA CCCc1nc(C)c(C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)s1 294136807 KSSIOPSFGRSODC-XHDPSFHLSA-N 345.468 2.791 0 50 EFAA Cc1cc(C)c(CN2CCC3(CC2)COC(=O)O3)c(-n2cccn2)c1 97819678 XGKSGEFVZLCLJO-UHFFFAOYSA-N 341.411 2.991 0 50 EFAA COc1ccc(OCC2CCN(c3nc(N)nc(C)c3C)CC2)cc1 91621270 YJTRDXOKJDQOPE-UHFFFAOYSA-N 342.443 2.980 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(CN3CCCC3)cc2)C1 97499669 AVPHLJXAZSNQBD-KRWDZBQOSA-N 341.499 2.981 0 50 EFAA Cc1ccn2cc(CNC(=O)c3ccc(-n4ccnc4)cc3)nc2c1 342269080 ZMXUTYGBAFCWAZ-UHFFFAOYSA-N 331.379 2.758 0 50 EFAA O=C(CC1CCOCC1)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 181892178 IHBXGTXDXHWRDY-AWEZNQCLSA-N 329.755 2.538 0 50 EFAA CC(C)Oc1ccc(-c2cc(C(=O)N[C@@H](CO)C(C)C)n[nH]2)cc1 252498402 RBELKNCOBTUVCG-KRWDZBQOSA-N 331.416 2.611 0 50 EFAA Cc1nc(C(C)(C)NC(=O)c2cc(Br)ccc2F)no1 299664325 PSJZUGKFNNGVBO-UHFFFAOYSA-N 342.168 2.945 0 50 EFAA CN(CCSc1ccccc1)C(=O)NC[C@@H]1CCN(C2CC2)C1 534586970 GDPIIUXVAXDZKP-HNNXBMFYSA-N 333.501 2.904 0 50 EFAA Cn1nc(-c2ccc(C(=O)N3CCCCCCC3)cc2)ccc1=O 534674623 JWJBAVZFTYCLTI-UHFFFAOYSA-N 325.412 2.854 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCC3CCS(=O)(=O)CC3)CC2(C)C)cc1 299779576 WDFCJGKSNSVZOO-LJQANCHMSA-N 349.496 2.604 0 50 EFAA O=C1C[C@H](CN2CCC(c3ccncn3)CC2)CN1c1ccccc1 299800582 WZCXDIAZPGKTIO-MRXNPFEDSA-N 336.439 2.709 0 50 EFAA O=C(Nc1ccc2ncsc2c1)N1CCC(N2CCOCC2)CC1 299799675 UUZWYTJRDDIPLG-UHFFFAOYSA-N 346.456 2.625 0 50 EFAA O=C(CNC(=O)N1CCCC[C@@H]1c1cccc(F)c1)N1CCCC1 584898839 RNLUONMEZVDRCR-MRXNPFEDSA-N 333.407 2.685 0 50 EFAA Cn1cc(Cl)c(CN2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 685940468 BHDWFLQPOIWELB-SJCJKPOMSA-N 347.850 2.888 0 50 EFAA CC[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1cccn1 952970294 RBGLLLWDAJARRG-GOSISDBHSA-N 342.443 2.946 0 50 EFAA C[C@H](O[C@@H](C)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1)C(=O)O 634943470 BEEZVHQWTSMVIV-AVYPCKFXSA-N 345.439 2.761 0 50 EFAA C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1cn[nH]c1 270284904 MSTMFVVEBOONSF-ZDUSSCGKSA-N 347.850 2.652 0 50 EFAA Cc1ccc2oc(N3CCCN(C(=O)c4cc(C)on4)CC3)nc2c1 1057078689 BCYJBINWACIPRM-UHFFFAOYSA-N 340.383 2.785 0 50 EFAA C[C@H]1C[C@H](NC(=O)NCCc2nc(C(C)(C)C)cs2)CCO1 271279906 QDAPHAAUANACEX-NWDGAFQWSA-N 325.478 2.850 0 50 EFAA CC(C)OCCC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 276119506 XPDAVXVRRBPKOQ-GOSISDBHSA-N 333.476 2.710 0 50 EFAA COc1cc2cc(c1O)-c1cc(ccc1O)C[C@@H](O)[C@H](O)CCCC2 169516241 ZABHYVQENRBSDL-QZTJIDSGSA-N 344.407 2.764 0 50 EFAA biogenic CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1=CCCCO1 408513058 UUQWVQPKBJFIBS-UHFFFAOYSA-N 341.310 2.669 0 50 EFAA CCOC[C@H]1CCN(C(=O)c2ccc(N)c(OC(F)(F)F)c2)C1 408523056 ONCYJFSQXZXRDR-JTQLQIEISA-N 332.322 2.666 0 50 EFAA O=C(Cc1cccs1)Nc1ccc(C(=O)OC2CCNCC2)cc1 170676775 AGMZIGGECICXQT-UHFFFAOYSA-N 344.436 2.838 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 279598556 BBDHUXXRMHOBCS-WFASDCNBSA-N 344.377 2.680 0 50 EFAA Cc1cnccc1CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 187508431 NIGOGBKGJGBXAV-AWEZNQCLSA-N 346.381 2.746 0 50 EFAA Cc1cc(F)ccc1-c1ccc(CN2CCN(CCO)[C@H](C)C2)o1 190249219 QHZNZIJEFQESAF-OAHLLOKOSA-N 332.419 2.893 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc(C)c1O 190936390 XAFWOWPSNHAVHD-KRWDZBQOSA-N 342.443 2.832 0 50 EFAA CSc1ccccc1C[C@@H](C)NCC1CCS(=O)(=O)CC1 195558714 QBMSJLTWGJNNFV-CYBMUJFWSA-N 327.515 2.754 0 50 EFAA CCC(=O)NCc1cn(-c2ccc(Br)cc2Cl)nn1 656439068 JBCWRPVMKYMSKL-UHFFFAOYSA-N 343.612 2.709 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 663101851 LVKZVSZDVOGEOP-GOSISDBHSA-N 344.367 2.919 0 50 EFAA C[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C1CCC(F)CC1 663428960 XGHARIKUXQLVBW-NUYPLMSZSA-N 343.420 2.721 0 50 EFAA OC[C@]1(c2ccccc2)CCN(c2nccnc2OC2CCC2)C1 663926709 LPYQZVCXOYADQF-IBGZPJMESA-N 325.412 2.548 0 50 EFAA CN(C)c1cnc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 678346986 GZKUHBWVDXRZRX-MRXNPFEDSA-N 325.416 2.695 0 50 EFAA OC[C@]1(NCc2nnc(-c3cccc(F)c3)o2)CCc2ccccc21 766250163 KFSILQYBXRQKAY-LJQANCHMSA-N 339.370 2.799 0 50 EFAA COc1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc(OC)c1 1529118861 PDHJGTLGMBPKLH-WOJBJXKFSA-N 343.423 2.638 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)n(C)n1 1529180103 BEIYGHKSWLVOCP-ZWKOTPCHSA-N 325.412 2.721 0 50 EFAA Cn1cnc2ccc(-n3ccnc3-c3cccc(OCCO)c3)cc21 1772814329 TUXVAAXBTNSRST-UHFFFAOYSA-N 334.379 2.797 0 50 EFAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccsc1 12386839 XLTNLVQSBXWTAA-HNNXBMFYSA-N 348.855 2.975 0 50 EFAA CCCNC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 13324434 QUFPNLXKHLKVMZ-UHFFFAOYSA-N 325.840 2.586 0 50 EFAA CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 15000502 UPTUTZCZHRYNGE-CZUORRHYSA-N 325.412 3.000 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c(C)c1 15869564 OBPOSAYSPQIDIU-UHFFFAOYSA-N 329.425 2.606 0 50 EFAA CN(C)C(=O)NC1CCN(C(=O)c2cccc3ccccc23)CC1 169896416 XNUIUNRVLWFCNS-UHFFFAOYSA-N 325.412 2.716 0 50 EFAA Cn1cc(C=Cc2nc3cc(Cl)ccc3s2)c(=O)n(C)c1=O 1857530749 NSZHPHNZVMPZLX-UHFFFAOYSA-N 333.800 2.518 0 50 EFAA Cc1cc2c(cn1)CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 1857673693 YMIKOPSRTULTAU-UHFFFAOYSA-N 333.391 2.556 0 50 EFAA CCO[C@@H]1C[C@@H](NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1(C)C 222151174 SNDWYHQXIDRPGQ-USXIJHARSA-N 333.476 2.600 0 50 EFAA COCCn1ccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)n1 225487333 LVXWBWGEUMIDPP-UHFFFAOYSA-N 339.798 2.987 0 50 EFAA COc1ccccc1CC(C)(C)NC(=O)[C@@H]1CCCc2nn(C)cc21 225581805 ICOJQTRIVBFXBY-OAHLLOKOSA-N 341.455 2.986 0 50 EFAA O=C(N[C@@H]1CCCC12CCOCC2)c1cccc(OCC(F)F)n1 225715786 GNXFIIIRGXZXSZ-CYBMUJFWSA-N 340.370 2.805 0 50 EFAA O=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCOCC1 4279600 BNPSEBQRNZWVKO-UHFFFAOYSA-N 333.388 2.535 0 50 EFAA Cc1cccc(NC[C@@H]2CCN(c3ncncc3Br)C2)n1 123791485 GJARZALVWUDKBP-LBPRGKRZSA-N 348.248 2.881 0 50 EFAA N[C@H](C(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccccc1 238006626 HBIJBKZDKOVPFH-IRXDYDNUSA-N 330.815 2.940 0 50 EFAA CN(C(=O)c1ccc(OCC2CC2)nc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 240244218 DKZSKSINQZKJCH-USXIJHARSA-N 330.428 2.756 0 50 EFAA C[C@H]1CN(C(=O)c2ccnn2CC(F)F)[C@H](c2ccccc2)CO1 241213350 KOGFOXSCQJLFBN-WFASDCNBSA-N 335.354 2.750 0 50 EFAA CNC(=O)c1cccc(OCC(=O)Nc2cc(Cl)cc(C)c2O)c1 340324926 MRRCCMLGKNDDKK-UHFFFAOYSA-N 348.786 2.731 0 50 EFAA C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 248846939 IBJJLHFDLBGPBH-NUEKZKHPSA-N 340.423 2.767 0 50 EFAA CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)CN1CCOC1=O 916014800 IGXMYDUJIYNJNO-GFCCVEGCSA-N 338.354 2.512 0 50 EFAA Cn1cnc(C(=O)N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)c1 371156113 SLRFVRADTILSKP-INIZCTEOSA-N 339.374 2.927 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 261790348 YVXSQNROACOWMA-AWEZNQCLSA-N 333.384 2.707 0 50 EFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CC(Cc2ccccc2Cl)C1 372877154 CPNFWNZWLVDMQC-CQSZACIVSA-N 329.831 2.869 0 50 EFAA CN1CCN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C4)C3)cc2)CC1 376169838 CTQTVSGXNJBPNL-OALUTQOASA-N 341.499 2.696 0 50 EFAA Cc1cc(C)c(C(=O)O)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1 262532402 PURYEPJIFIOMNC-UHFFFAOYSA-N 346.427 2.835 0 50 EFAA Cc1nc(CC(C)C)c(NC(=O)N(C)[C@@H](C)C[S@@](C)=O)s1 162876445 QDLYPBJXUDGQSA-CWKPULSASA-N 331.507 2.881 0 50 EFAA C[C@@](O)(Cn1cnc2c(-c3ccccc3)nsc2c1=O)C(F)F 905933990 MSDDEPFCDRYCJL-OAHLLOKOSA-N 337.351 2.536 0 50 EFAA CO[C@@H](C(=O)NCc1cnn(C)c1C)c1ccccc1C(F)(F)F 935111578 RSWFLOYQBNVGTJ-CQSZACIVSA-N 341.333 2.751 0 50 EFAA COC(=O)N(C)Cc1ccc(NC(=O)N2CC(OC(C)C)C2)cc1 874435064 KPLOGYKVPCJPRP-UHFFFAOYSA-N 335.404 2.526 0 50 EFAA O=C(Nc1ccccc1NC(=O)C12CC(C(=O)O)(C1)C2)N1CCCC1 1875369893 OQCILJAIZYLKTG-UHFFFAOYSA-N 343.383 2.508 0 50 EFAA O=C1N[C@@]2(CCc3ccccc32)C(=O)N1c1cncc2c1CCCC2 1875359185 XIHKLEVLJOZNTK-HXUWFJFHSA-N 333.391 2.858 0 50 EFAA O=C(NCc1cnc(O)c2ccccc12)c1nnc(O)c2ccccc12 1303757117 HOJBMNJEEVNUGC-UHFFFAOYSA-N 346.346 2.519 0 50 EFAA C[C@H](CC(=O)N1CC(c2cc(CO)on2)C1)Cc1cccc(F)c1 886086541 WCRUZHMHNOHXPH-LBPRGKRZSA-N 332.375 2.501 0 50 EFAA CCc1ocnc1-c1nnc([C@@H]2CCCO[C@H]2c2ccnn2C)o1 886095543 ZXPKBBBUBLASAE-QMTHXVAHSA-N 329.360 2.656 0 50 EFAA Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H](C)c1cncs1 889519280 IVLZPDCDNWWODJ-NSHDSACASA-N 329.429 2.613 0 50 EFAA O=C1C[C@H](C(=O)N(CC2CCOCC2)C2CCC2)Oc2ccccc21 2325784184 GCFGCZPZEJTCEA-LJQANCHMSA-N 343.423 2.828 0 50 EFAA O=C([C@H]1CCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC2(CC2)C1 2325797130 OKJMRRDMZSHTEW-YVSFHVDLSA-N 342.483 2.959 0 50 EFAA C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1)c1nc(=N)[nH][nH]1 2325852008 PSLSCTCGLFSRLB-SNVBAGLBSA-N 325.347 2.514 0 50 EFAA CC(C)C[C@H](C)S(=O)(=O)N1CCc2cc(C(=O)O)ccc2C1 926605060 PZHANOQAOMMGHR-LBPRGKRZSA-N 325.430 2.507 0 50 EFAA C=CC(=O)Nc1cc(NC(=O)[C@](C)(O)c2cccc(F)c2)ccc1F 136610265 XLOUWXUKGNNHBN-GOSISDBHSA-N 346.333 2.936 0 50 EFAA O=C(Cc1ccccc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 302376 IBKROSLURNUKDB-IUODEOHRSA-N 326.318 2.868 0 50 EFAA COCCNCCOc1ccc(C)cc1-c1ccc(CCN)cc1 2356151973 JMLPECUJNIXVTR-UHFFFAOYSA-N 328.456 2.778 0 50 EFAA CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 2837978 KPTOQMWYZOYPOB-UHFFFAOYSA-N 346.452 2.793 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1OC(C)C 4505524 YQNCKDMWUYNYSW-HNNXBMFYSA-N 347.411 2.541 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 4902115 PCPHGFITLOYTLU-VHSXEESVSA-N 325.386 2.673 0 50 EFAA COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1Cl 10279139 BFQQDGBMRRVMMQ-UHFFFAOYSA-N 346.880 2.503 0 50 EFAA COCCOc1ccccc1C(=O)Nc1ccccc1C(=O)OC 8722912 HKLGUTFUZOZWNF-UHFFFAOYSA-N 329.352 2.751 0 50 EFAA O=C(NCc1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1ncc[nH]1 171697614 JGAFWRSJZWLSSZ-AWEZNQCLSA-N 342.399 2.618 0 50 EFAA CCS[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN(C2CC2)C1 246757671 XUPBWOPIUKPRTJ-FVQBIDKESA-N 325.522 2.834 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc3nccnc3c2)n1 20513794 PPQJCJOPUCKBCE-UHFFFAOYSA-N 347.300 2.677 0 50 EFAA CCC(CC)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 23368820 FHEKWAOOFCPCPZ-UHFFFAOYSA-N 333.480 2.730 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H](O)CO 23214127 XGDQQTLXWWVVCE-LJQANCHMSA-N 337.423 2.529 0 50 EFAA CN(C)CCOc1ccccc1CN1CCC[C@H](c2ccn[nH]2)C1 67714337 PQGXHHOCZIAURX-INIZCTEOSA-N 328.460 2.730 0 50 EFAA C[C@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 22589097 YCDLBCWKRNILLH-JTQLQIEISA-N 327.311 2.852 0 50 EFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)c1cc(Cl)ccc1Cl 229237392 ZEQRXZBOGOQPGA-JTNHKYCSSA-N 340.206 2.978 0 50 EFAA O=C(N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C1(c2ccc(Cl)cc2)CC1 354499772 CZSSRAOHLGJIGJ-BBWFWOEESA-N 349.858 2.760 0 50 EFAA COc1cc(CNS(=O)(=O)C[C@H]2CCC3(CCC3)O2)ccc1C 1364754609 BGBMCOXFOCKJQY-OAHLLOKOSA-N 339.457 2.525 0 50 EFAA Cc1ccc(-n2cc(C3=CCN(CCCC(N)=O)CC3)cn2)c(C)c1 65407694 RMPMWZLIRSIHGI-UHFFFAOYSA-N 338.455 2.844 0 50 EFAA COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 2169424 GYSZUJHYXCZAKI-CQSZACIVSA-N 345.395 2.512 0 50 EFAA biogenic,in-vivo Cc1cc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)no1 253418234 WXQNLSFZPZEHKP-UHFFFAOYSA-N 328.353 2.944 0 50 EFAA COCCn1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccc(OC)cc2)n1 253429761 UNZOWDIIIMUMHI-KSSFIOAISA-N 343.427 2.761 0 50 EFAA C=CC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 328598118 KBJHHDNOSFKZEH-KRWDZBQOSA-N 341.411 2.584 0 50 EFAA Nc1ccc(N[C@H]2CCCN(Cc3cnc4ccccn34)CC2)cn1 328648056 UIWSVEGSEGUUCU-HNNXBMFYSA-N 336.443 2.778 0 50 EFAA O=S(=O)(c1cccc(Cl)c1Cl)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72125603 QLGJXNGWIBFYHO-CDJYRKNRSA-N 348.251 2.791 0 50 EFAA Cn1cc(C[C@H]2CCN(CC(=O)NC3CCCCCCC3)C2)cn1 363307135 OZIVZHGOUJEXCP-MRXNPFEDSA-N 332.492 2.514 0 50 EFAA Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)n1 257365484 BGEZJMNYZZYGRB-VHDGCEQUSA-N 330.457 2.695 0 50 EFAA O=C(Nc1ccnn1Cc1ccco1)c1cc2ccccc2oc1=O 32593521 JSWXEHHJTBCUMF-UHFFFAOYSA-N 335.319 2.883 0 50 EFAA CN1CCN(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)CC1 72168922 FOKAHVMYXQGCPP-QGZVFWFLSA-N 331.460 2.547 0 50 EFAA Cc1cnc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)s1 172724295 KAIBFPGFYNXGFG-RHSMWYFYSA-N 343.452 2.677 0 50 EFAA O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CC2(CCNCC2)CN1 72162848 PDPBDMCICRJZTG-LJQANCHMSA-N 349.478 2.624 0 50 EFAA Cc1nccn1-c1ccccc1CN[C@H]1CCOC2(CCOCC2)C1 77539390 OQGUHUYBOLXODO-SFHVURJKSA-N 341.455 2.999 0 50 EFAA C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 35093008 WERHEAMZFYEFSA-ATZDWAIDSA-N 336.451 2.514 0 50 EFAA O=C1C[C@@H](Nc2cc(C3CC3)ncn2)CN1CCc1ccc(F)cc1 72150326 UBKWMIJPBFLVLQ-MRXNPFEDSA-N 340.402 2.749 0 50 EFAA O=C(Cc1noc2ccc(F)cc12)N1CC2(CCOCC2)[C@@H]1C1CC1 333232092 YMAICYVVQADVLV-SFHVURJKSA-N 344.386 2.927 0 50 EFAA O=C1N[C@@H](CC2CC2)C(=O)N1c1ccc2c(c1)nc1n2CCCCC1 333613050 HBRSCEIFXNEROU-HNNXBMFYSA-N 338.411 2.988 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccnn2C2CCCC2)C(=O)O)cc1 262981130 RDHGQGLSIFLVIY-INIZCTEOSA-N 343.383 2.563 0 50 EFAA COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1C(=O)O 237323828 RZXKZZPMSRRECC-CABCVRRESA-N 343.354 2.952 0 50 EFAA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)O)CC2 237408753 BXMLQTYJYRWZNP-KRWDZBQOSA-N 333.409 2.797 0 50 EFAA COC(=O)c1cccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 173249936 NRYLTKXNBGSRMP-OAHLLOKOSA-N 345.443 2.813 0 50 EFAA Cc1noc([C@H]2COCCN2Cc2ccccc2C(F)(F)F)n1 158526174 YJJGPLIPYDHMFY-CYBMUJFWSA-N 327.306 2.970 0 50 EFAA CCc1cc(N[C@@H](CCO)c2ccc(OC)cc2)n2nccc2n1 72429297 XGNZPYNIKHRUMI-INIZCTEOSA-N 326.400 2.836 0 50 EFAA Cc1nc(CC(=O)NCCc2cnn(-c3ccccc3)c2)cs1 72429865 RWYUEZZGGGPHMR-UHFFFAOYSA-N 326.425 2.539 0 50 EFAA O=C(NC1CCN(C2CC2)CC1)N1CC[C@H](Cc2ccccc2)C1 174791725 PNICBVSQPCGQIU-QGZVFWFLSA-N 327.472 2.887 0 50 EFAA CC(C)CNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15065192 QUDZHBVUGZLPGU-OAHLLOKOSA-N 336.863 2.893 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1CCNC(=O)c3ccccc31)CC2 241124180 JGDAYWSATBWCJA-HNNXBMFYSA-N 336.391 2.502 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COC2CCCCC2)c1 337504374 GNULAKRYZVMDPB-MAUKXSAKSA-N 333.428 2.679 0 50 EFAA CCc1ccc(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 286182680 IMPGXXQJAQUCQL-OTWHNJEPSA-N 331.456 2.570 0 50 EFAA Cn1cc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cn1 286334889 QNYASXCKJQFNML-NSHDSACASA-N 329.326 2.635 0 50 EFAA O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OC(F)F)c1 82119962 YWGGYFLJLOAJQG-CYBMUJFWSA-N 346.333 2.823 0 50 EFAA COc1ccc(S(=O)(=O)CCN/C(O)=C2/N=NC3=C2CCC3)cc1 334159284 SVHGYPFXISCNNI-NXVVXOECSA-N 349.412 2.689 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 179341901 UVDGJTKVEASTIM-CZUORRHYSA-N 342.399 2.528 0 50 EFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccoc1)CC2 95391918 HPEDBCXIZVPNCT-KRWDZBQOSA-N 338.407 2.900 0 50 EFAA Cc1ccnc(N2CCC(c3nccn3CCCN(C)C)CC2)c1 95517197 GTGOCANJYYYTJQ-UHFFFAOYSA-N 327.476 2.922 0 50 EFAA Cc1nc2ccc(-c3nc(Cn4cncn4)nn3C(C)C)cc2nc1C 95530284 WCCATEUNPGSTEC-UHFFFAOYSA-N 348.414 2.726 0 50 EFAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)n1 91906924 RUUVBPKXWWWNHG-ZWKOTPCHSA-N 349.434 2.653 0 50 EFAA Cn1c(Cn2ccnc2)nnc1C1CCN(C2CCCCC2)CC1 91635722 GTACNZNHAGUNFM-UHFFFAOYSA-N 328.464 2.572 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91830290 VECSJKUFBFFWFZ-SFHVURJKSA-N 349.862 2.543 0 50 EFAA CCCCSc1nc(N)cc(N2CC(n3nc(C)cc3C)C2)n1 95390873 UXKVWSLJAZOAEK-UHFFFAOYSA-N 332.477 2.826 0 50 EFAA C[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1 96232766 UUDZESHZVNMVHP-NSHDSACASA-N 332.367 2.839 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)C1CCN(C2CCCCC2)CC1 95371882 AGCBBFTYIGPHHT-AWEZNQCLSA-N 333.480 2.520 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)CCSCc3ccccc3)C2)C1=O 91636518 BDKCTQNMCHWBDZ-LJQANCHMSA-N 346.496 2.781 0 50 EFAA COc1cc(OC)c(CN2CCCC3(CCOCC3)C2)c(C(=O)O)c1 97301233 LRULTJNESUYCQY-UHFFFAOYSA-N 349.427 2.795 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(c2ccc(Cl)cn2)C1 95366292 XZUCGUMFQZVRSO-AWEZNQCLSA-N 333.867 2.877 0 50 EFAA CCn1cc(-c2cn(Cc3ccc(-c4noc(C)n4)cc3)nn2)c(C)n1 91551165 QPNSADRFFTWKNC-UHFFFAOYSA-N 349.398 2.877 0 50 EFAA CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 181563383 XSJPNRYADMFVJW-LLVKDONJSA-N 337.272 2.507 0 50 EFAA CN(C)CC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCCC1 185091657 QWROZLDECHSMEE-UHFFFAOYSA-N 346.443 2.506 0 50 EFAA COCC1(CNC(=O)N(Cc2ccsc2)C[C@H]2CCCO2)CC1 534634185 XSDOZHAXMNJITK-OAHLLOKOSA-N 338.473 2.865 0 50 EFAA CC(C)c1noc([C@H]2CCCN(C(=O)NCc3cscn3)C2)n1 534634285 WJSPDOHEZDAKEZ-NSHDSACASA-N 335.433 2.739 0 50 EFAA CN(C[C@@H]1CCCO1)C(=O)NC1CCN(Cc2cccs2)CC1 364104350 SMQUCMPIMAIQEY-HNNXBMFYSA-N 337.489 2.533 0 50 EFAA Cc1ccc(OCCN)c(C(=O)NCCSc2ccccc2)c1 299769751 PUBRLRCTJUXLGT-UHFFFAOYSA-N 330.453 2.855 0 50 EFAA O[C@H]1CN(c2ncnc3c(-c4ccccc4)nsc23)CC(F)(F)C1 631239146 PJDAKEVKBMJAPN-LLVKDONJSA-N 348.378 2.960 0 50 EFAA COc1ccc(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)c2ccccc12 1599564786 SPKRUEBJCHBUBK-MGPUTAFESA-N 341.407 2.772 0 50 EFAA Cn1c([C@H]2CCCN2Cc2cccc(C(N)=O)c2)nc2c1CCCC2 275515279 KRYAPYTXONGSAP-GOSISDBHSA-N 338.455 2.735 0 50 EFAA COCc1ccc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)o1 276273785 DKRBPVQJCPWECK-JKSUJKDBSA-N 348.447 2.518 0 50 EFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccn1 302252221 ASTSIQVYAHYIBO-UHFFFAOYSA-N 345.468 2.518 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)CCc2nnc(C3CCCC3)o2)n1 186738827 BWWDQIHBYPKGBU-LBPRGKRZSA-N 347.419 2.702 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)NCc3nc(N(C)C)no3)oc12 187400836 IDTOMQUFLYOGCI-UHFFFAOYSA-N 328.372 2.737 0 50 EFAA O=C(c1ccccc1-c1cn[nH]c1)N1CCOC[C@@H](C2CCC2)C1 635971402 JQTXGUQMEBRWAJ-INIZCTEOSA-N 325.412 2.965 0 50 EFAA CCc1ccc([C@@H]2CN(C(=O)c3ccc(O)cc3O)CCO2)cc1 190912122 XFQXAHNWDQYLCC-SFHVURJKSA-N 327.380 2.874 0 50 EFAA CCOC(=O)c1oc2c(c1C)[C@H](NCC(C)(C)C(=O)NC)CCC2 193067496 BKQFZOBTFONJLX-GFCCVEGCSA-N 336.432 2.504 0 50 EFAA Cc1cnc(OC2CCN([C@H](C)c3cc(C)c(C(=O)O)o3)CC2)nc1 656190903 ILXBOYRAZVKADF-CYBMUJFWSA-N 345.399 2.989 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)N(CCC(=O)O)C2CC2)s1 681582109 LKBOODPENYDAHH-UHFFFAOYSA-N 331.459 2.673 0 50 EFAA Oc1cccc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)c1 1529120824 MSUMCRNKOLBAPJ-DYESRHJHSA-N 334.419 2.976 0 50 EFAA CCCC1(NC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1 1529189753 XKIIJANELUKDAK-MSOLQXFVSA-N 344.455 2.812 0 50 EFAA COc1cnc(N(C)CC2CCN(Cc3ccccc3)CC2)nc1 1529161460 KFKBFWHISSPZHK-UHFFFAOYSA-N 326.444 2.834 0 50 EFAA CCN(C)c1ccnc(NCCc2csc(-c3ncccn3)n2)n1 1704340035 DFQUDAOVGGDTDP-UHFFFAOYSA-N 341.444 2.501 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(C)ccc2Cl)C[C@@H]1O 1704344903 QCYOCOSAIHADHT-YOEHRIQHSA-N 339.819 2.726 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H](C(C)C)n2nnc3ccccc32)cc1 5415905 SNCULINHQRYZHV-QGZVFWFLSA-N 344.440 2.873 0 50 EFAA Cc1cc(C(=O)N2CCO[C@@H](Cc3cccc4ccccc34)C2)n[nH]1 11936589 GTPOCOGPXUEROU-KRWDZBQOSA-N 335.407 2.955 0 50 EFAA COc1ccc(CCN2C[C@H](NCc3ccc(F)cc3)CC2=O)cc1 14949588 QGTVIHWKCWBVNB-GOSISDBHSA-N 342.414 2.768 0 50 EFAA O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCOCC1 19375393 PDGFGPJQKIKAPB-UHFFFAOYSA-N 336.435 2.717 0 50 EFAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H](C)c1ccsc1 1857722168 DOLRQMWSBSHKND-JTQLQIEISA-N 337.470 2.841 0 50 EFAA C[C@](NC(=O)c1cc2ccccc2oc1=O)(C(=O)O)c1ccccc1 392855027 ASSTURCKCILAIK-LJQANCHMSA-N 337.331 2.523 0 50 EFAA CC(C)n1cc(NS(=O)(=O)c2cn(C)nc2C2CCCC2)cn1 901884777 XBZUESRVMSUQIL-UHFFFAOYSA-N 337.449 2.656 0 50 EFAA COCC1(O)CN(C(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 821203321 BMRVHTBFBWMPBM-UHFFFAOYSA-N 349.333 2.590 0 50 EFAA Cc1cccc([C@H]2C(=O)NCCN2Cc2nc(C(C)C)ns2)c1 930897976 VEILJZSPZSWODW-HNNXBMFYSA-N 330.457 2.643 0 50 EFAA CCc1c[nH]ccc1=NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1 932802344 SMAMZDHXMRSIRX-UHFFFAOYSA-N 336.395 2.784 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)[nH]1 952848622 KFBQROOBNZLGMD-KGLIPLIRSA-N 342.447 2.534 0 50 EFAA CCN(C(=O)c1cc(C)c2[nH]nnc2c1)c1ccc(OC)c(OC)c1 1875292783 SOTNMEYBYFBHOI-UHFFFAOYSA-N 340.383 2.950 0 50 EFAA CN(C)Cc1ccnc(NS(=O)(=O)c2ccc(C(C)(C)C)nc2)c1 1875281182 UAQWPXDGDGVDHM-UHFFFAOYSA-N 348.472 2.637 0 50 EFAA C=CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1875301890 VERZUIUTDYLJLT-GXTWGEPZSA-N 340.345 2.760 0 50 EFAA O=C(NCCc1cccc(F)c1F)[C@@H]1CCCO[C@H]1c1ncc[nH]1 886075616 QNTOVCGJNMYYHF-IUODEOHRSA-N 335.354 2.515 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C(F)(F)F 886082015 UGPLGTFUSHIBIJ-KBPBESRZSA-N 332.366 2.935 0 50 EFAA O=S(=O)(N[C@@H]1CCCC2(C1)N=N2)c1ccc(OC(F)(F)F)cc1 1775989457 BBTSGLGWGZJKTR-SECBINFHSA-N 349.334 2.968 0 50 EFAA CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 721841328 YSIXVYWQWPHPST-SECBINFHSA-N 338.256 2.775 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc2ccn(C)c2n1 2100482711 SFOKHGMIVBSPAU-UHFFFAOYSA-N 339.399 2.886 0 50 EFAA O=C1Cc2ccc(NS(=O)(=O)c3sccc3C3CC3)cc2N1 2325772216 AOUMKBKCKXQUNF-UHFFFAOYSA-N 334.422 2.921 0 50 EFAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1cccc(F)c1 38325 CDNAEDLCNYBPCU-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 44328 DGAIDWIVSHXKMV-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA COc1cc([C@H](O)c2nc3ccccc3n2C)cc(OC)c1OC 237827 WXBNHZVKLGUNOU-INIZCTEOSA-N 328.368 2.681 0 50 EFAA COc1ccc(OC)c(NC(=O)Cc2ccc(OC)c(OC)c2)c1 341710 RTLUCOQQHXVRIJ-UHFFFAOYSA-N 331.368 2.902 0 50 EFAA Cc1c(Cl)cccc1NC(=O)Cn1cnc2ccccc2c1=O 389237 OYJNGGITXZHOTB-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CCOC(=O)N1CCN(C(=O)COc2cccc3ccccc23)CC1 441090 HWTVGPBHEGOEKU-UHFFFAOYSA-N 342.395 2.519 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2C)cc1 443758 CHFNHEGYIWAUDF-UHFFFAOYSA-N 346.452 2.587 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](Sc3nccc(C)n3)C2=O)cc1 540718 GIQXKRWHAUMRLO-CQSZACIVSA-N 343.408 2.608 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3)C1)CC2 2356155954 PBQINRPSUVRJMF-FQEVSTJZSA-N 336.439 2.663 0 50 EFAA Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)c1 4539560 QSYPNTCGKONNSU-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100081699 ILGGOCMYVBKUCP-KBPBESRZSA-N 333.771 2.885 0 50 EFAA CCc1csc(NC2CCN(C(=O)c3cccnc3O)CC2)n1 225391118 OQQNOHFDYINPMP-UHFFFAOYSA-N 332.429 2.523 0 50 EFAA COCCc1noc([C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)n1 102541613 XYJLAHILYWOJGJ-ZDUSSCGKSA-N 341.415 2.514 0 50 EFAA CC1(C)[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]2CCO[C@H]21 247249244 PZYRYEXZBBAFPO-NCXUSEDFSA-N 342.483 2.828 0 50 EFAA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1c(C)nn(C)c1Cl 65370920 MYXWEWGLSNLROA-LBPRGKRZSA-N 332.791 2.814 0 50 EFAA O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 23399751 LKKYKHHEUPNTLX-CYBMUJFWSA-N 343.452 2.730 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2cccc(F)c2)no1 229605467 RFACLZJXYWTAJZ-ZBFHGGJFSA-N 329.375 2.837 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1 67676794 HNWWDTQSUPODPU-UHFFFAOYSA-N 343.456 2.563 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C(C)C)no1 252518047 YCHMQZMDNNUQDA-NHBFPYQTSA-N 341.477 2.677 0 50 EFAA COc1ccc(Cl)cc1C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F 204399 LBOHIURHEHIWGY-LBPRGKRZSA-N 336.697 2.821 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1Cn1cccn1 65381509 CBGJCSINPZNRPZ-INIZCTEOSA-N 329.448 2.603 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[nH]3)c2c1 328593562 JFZRHDGICJBKDD-AWEZNQCLSA-N 339.399 2.514 0 50 EFAA COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 328591963 ILNNRLHYFYTJBN-CYBMUJFWSA-N 343.379 2.817 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2c(C)n[nH]c2C)[C@@H]1c1cnn(C)c1 328631771 KWFKYRDSRRWDTR-QFBILLFUSA-N 344.507 2.665 0 50 EFAA COc1cccc(OC)c1CN1CCN(C2CCCC2)[C@H](CCO)C1 39537374 ABTLBUVPZURUAC-QGZVFWFLSA-N 348.487 2.515 0 50 EFAA Cn1nccc1CN1CCN(C(=O)c2cc3ccccc3s2)CC1 434786202 HIMOCNCETIXBFY-UHFFFAOYSA-N 340.452 2.593 0 50 EFAA COc1cc2c(N3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)ccnc2cc1F 359299528 LUWBEWMFBHIAOG-XCRHUMRWSA-N 346.402 2.749 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)c(C)c1 360238683 OOHORZMWMIXBFL-UHFFFAOYSA-N 349.408 2.822 0 50 EFAA CCn1ncnc1[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)C1CC1 219323985 BNQINLWYOMGSAG-GOSISDBHSA-N 337.427 2.898 0 50 EFAA Cn1ccnc1-c1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1 154165119 OSIOVMTZRBMYOM-UHFFFAOYSA-N 335.363 2.997 0 50 EFAA CC(C)CN(Cc1ccsc1)C(=O)CCc1cc2n(n1)CCNC2 72434299 BJZAPUAXPHHQBD-UHFFFAOYSA-N 346.500 2.665 0 50 EFAA N[C@H]1CCO[C@H](C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1 333266245 JMRDWHJFPHOCBW-OALUTQOASA-N 328.456 2.534 0 50 EFAA C[C@H]1CCCN(CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 72423675 QXLISAMHBOQZGA-INIZCTEOSA-N 332.488 2.852 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 237463233 MHEKAIHIFSXXEA-QWHCGFSZSA-N 326.387 2.710 0 50 EFAA CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331405 XWURTEVPWZSEOV-UHFFFAOYSA-N 344.415 2.541 0 50 EFAA CSc1ccccc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 172759637 NACDSQBMDAUDLM-ZDUSSCGKSA-N 330.457 2.541 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CCc1ccc(O)cc1 72480545 FCHVMWFBMAYLPK-LJQANCHMSA-N 338.451 2.840 0 50 EFAA COc1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 72171510 NAGYKFUVFIDKRG-PWIZWCRZSA-N 336.439 2.552 0 50 EFAA COC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 159339802 XZSKKLGDXSMMAB-CYBMUJFWSA-N 348.424 2.708 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1ccnn1C 184417873 OQEZDPTWJZLSOX-UHFFFAOYSA-N 340.427 2.536 0 50 EFAA Cc1nc2c(c(NC3CC=CC3)n1)CCN(C(=O)c1ccoc1)CC2 72454707 PDKYKIMESGGBNK-UHFFFAOYSA-N 338.411 2.750 0 50 EFAA Cc1nn(C)c(C)c1C(=O)NC1(c2cccc(F)c2)CCOCC1 283055459 CAGXEDPJWYUCHR-UHFFFAOYSA-N 331.391 2.612 0 50 EFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 240278304 DQIDPCLHGOOAOP-GMTAPVOTSA-N 340.782 2.669 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccnc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 240912237 IWSVJONTRHKWBT-LUKYLMHMSA-N 332.469 2.698 0 50 EFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NC1CCN(C(C)C)CC1)[C@@H]2C(=O)O 225807808 GEKCSFJGUNETEM-JOCBIADPSA-N 348.487 2.669 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 177066533 NGJLANAOHBWBDX-AWEZNQCLSA-N 331.803 2.902 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CC[C@H](CN)C2)cc1OC 178573994 JOWKZYRITHNLJG-LLVKDONJSA-N 326.824 2.558 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCc1nc3cc(C)c(C)cc3[nH]1)C2 426389215 FEFDJUQQYJPDCE-QVDMIQRCSA-N 341.455 2.996 0 50 EFAA COCCC1(C)CN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C1 291237424 NYYGAEKSAQCHBC-UHFFFAOYSA-N 337.370 2.508 0 50 EFAA Cc1cc(C)nc(N2CCN(Cc3cc(CN(C)C)cs3)CC2)n1 223368525 COIIYYBIKBCKDM-UHFFFAOYSA-N 345.516 2.539 0 50 EFAA CCc1oc2c(NC(=O)N3CCNC(=O)C3)cc(Cl)cc2c1C 97657134 ORNKYJFMCHPEKF-UHFFFAOYSA-N 335.791 2.921 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)C1 179000425 NWUNXSYKQGSCHM-NEPJUHHUSA-N 330.350 2.541 0 50 EFAA Cc1ccc2nc(C(=O)N[C@@H](C)c3nc(-c4cccnc4)no3)cn2c1 91695494 QVLQHWNMTVJUMI-LBPRGKRZSA-N 348.366 2.579 0 50 EFAA Cc1nc(CNC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cs1 426740349 DLORWKYVYVBHNA-MRXNPFEDSA-N 346.456 2.502 0 50 EFAA Cc1cnc(CN(C)Cc2cccc(-c3nc(C)c(C)c(=O)[nH]3)c2)[nH]1 23544008 HQNIWZUJCAYWEB-UHFFFAOYSA-N 337.427 2.717 0 50 EFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)oc1C)CC2 91726095 BRDDUPQWWLRPQC-UHFFFAOYSA-N 342.443 2.629 0 50 EFAA CCCOc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1 91636166 AAFGBCPFOGKVNC-DOTOQJQBSA-N 330.428 2.558 0 50 EFAA Cc1nc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n(C)n1 243893388 AQSZBGKBBFEYGR-CQSZACIVSA-N 330.823 2.990 0 50 EFAA CCCc1cc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cs1 244816783 SOGSIPLMSRFWQQ-UHFFFAOYSA-N 331.441 2.627 0 50 EFAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)n1 244873494 WRGKZPOKIVDXMN-MRXNPFEDSA-N 346.500 2.732 0 50 EFAA Cc1noc(CCC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)n1 182453268 MSZJFCPUPYQYSU-CYBMUJFWSA-N 335.791 2.994 0 50 EFAA CSc1ncc(C(=O)NC[C@H](c2ccccc2C)N(C)C)cn1 534667896 DZDAGYKQVOZNJM-OAHLLOKOSA-N 330.457 2.540 0 50 EFAA CCc1nc([C@@H]2CCCCN2C(C)=O)n(Cc2ccc(OC)cc2)n1 823560460 AMYFMLCXNAEUPV-KRWDZBQOSA-N 342.443 2.971 0 50 EFAA COc1cc(O)ncc1C(=O)N1CC(Cc2ccccc2Cl)C1 1412638064 HWVMQKSMYQVXCT-UHFFFAOYSA-N 332.787 2.764 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CCC(NC(=O)NC)CC1 1434082524 PBOBIMXAXVMWJN-UHFFFAOYSA-N 329.400 2.529 0 50 EFAA O=C(N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cccnn1 1361972179 YDSRBDYWQYCXRJ-SQNIBIBYSA-N 336.439 2.507 0 50 EFAA O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@H](CC(F)(F)F)C1 277459945 PACFPKWHJLNPMD-GFCCVEGCSA-N 338.333 2.746 0 50 EFAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCc1cccc(C(=O)O)c1 170592302 ABKIYUZYILJSNC-NSHDSACASA-N 349.333 2.789 0 50 EFAA C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cc([C@@H]3CCCO3)nn2C)[nH]n1 278925047 HOQOLFQLYQMBHO-NRUUGDAUSA-N 330.392 2.762 0 50 EFAA O=C(NC1CC1)c1ccc(C(=O)N2CCOCc3ccccc32)cc1 279371608 HOSUDIYFEVRKRS-UHFFFAOYSA-N 336.391 2.756 0 50 EFAA CCn1c(C)nnc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 187847291 GSUSYQAQDXOHKX-OAHLLOKOSA-N 338.814 2.972 0 50 EFAA Cc1csc([C@@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)n1 171639004 SVOVKTIESYETCM-AWEZNQCLSA-N 341.440 2.550 0 50 EFAA O=C(Nc1cnc(C2CC2)nc1)N1CCC(Nc2nccs2)CC1 188879789 UGWNOHJIYUHBKR-UHFFFAOYSA-N 344.444 2.919 0 50 EFAA CN1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)[C@@H](CO)C1 639337826 VILNETWONFIKCW-OAHLLOKOSA-N 337.876 2.572 0 50 EFAA CC(=O)Nc1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1 657297163 DVYJTZIKHUFACW-UHFFFAOYSA-N 326.322 2.687 0 50 EFAA CC(C)c1csc(CNC(=O)c2cccc(OCC(=O)O)c2)n1 659761197 XYPDQXOEZIIMLZ-UHFFFAOYSA-N 334.397 2.660 0 50 EFAA Cc1nc(CCC(=O)Nc2cccc(N3CCNC3=O)c2)cs1 733095890 MSMIAWJIEYCFPX-UHFFFAOYSA-N 330.413 2.552 0 50 EFAA c1ccc(N2CC[C@H](N3CCC(N4CCSCC4)CC3)C2)cc1 1506421937 LMVBQXVFIXNSOR-IBGZPJMESA-N 331.529 2.779 0 50 EFAA COc1ccccc1/C=c1\sc2nc(-c3ccc(C)cc3)nn2c1=O 121668 OGHLGFGHEMIDBH-WJDWOHSUSA-N 349.415 2.683 0 50 EFAA COc1ccnc(CN2CCC[C@@H](OCc3ccccn3)C2)c1OC 1529119762 LIRCOTWXPVCYDL-MRXNPFEDSA-N 343.427 2.675 0 50 EFAA COc1ccc(/C=C/CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)cc1 1529145986 SFGMPPCMEGXZNS-HLPXUMPJSA-N 328.412 2.540 0 50 EFAA Cc1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(N)=O)c1C 476356 XFPTYJQHVHMUIB-GQCTYLIASA-N 344.392 2.844 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1ccc(Cl)cc1Br 237478452 CWPDRHNQBIVZGJ-SKDRFNHKSA-N 345.668 2.983 0 50 EFAA CCCn1cnnc1[C@H](C)Nc1nnc(CSc2ccncc2)o1 1772703371 KRESXIDCIZVGTG-NSHDSACASA-N 345.432 2.932 0 50 EFAA COc1cc(CN2CCOC[C@@H](C(=O)O)C2)ccc1OCC=C(C)C 1772817972 KTDMOTOCYAYCFC-INIZCTEOSA-N 349.427 2.573 0 50 EFAA Cc1nnc(N2CCCN(C(=O)c3ccco3)CC2)c2ccccc12 1772811573 ZIGBIRTVMKLWFI-UHFFFAOYSA-N 336.395 2.884 0 50 EFAA CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 5639200 QUOGRGMWDHAAQO-BRZNQVFLSA-N 331.412 2.546 0 50 EFAA biogenic CN(C[C@@H]1CCCCO1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12430775 WWAHYJWVDJIWPL-HNNXBMFYSA-N 348.834 2.621 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccccc3Cl)C2)C1=O 12443113 WITOTSNCCXCZML-GOSISDBHSA-N 336.863 2.801 0 50 EFAA O=C1N(CC2CC2)CCC[C@]1(O)CNCc1ccc2sccc2c1 12591660 RRSLCQMEKSJOID-IBGZPJMESA-N 344.480 2.754 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1C 15943876 YPAOFMWVFOXLMG-UHFFFAOYSA-N 343.452 2.996 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Oc2ccccc2)c1 16607407 SVZZBCBHNRFKGV-UHFFFAOYSA-N 333.409 2.530 0 50 EFAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccccn1 169754162 HEFMODAOYUJGKM-LBPRGKRZSA-N 339.424 2.542 0 50 EFAA CC[C@@]1(C(=O)N(C)Cc2nc3c(s2)CCCC3)C[C@@H]2CC[C@H]1N2 1857671621 LRNAEOHJCKZQFO-WBHUJUFNSA-N 333.501 2.901 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(CC(F)(F)F)cc1 1857686359 SCLMHYURSMWNGB-SWLSCSKDSA-N 326.362 2.987 0 50 EFAA O=C(O)C[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc23)C[C@H]1O 1857727442 RIXDTLJOXCVZEI-RHSMWYFYSA-N 349.390 2.569 0 50 EFAA C[C@H](NC(=O)N1CCC(O)(C(F)F)CC1)c1ccc(F)cc1F 429966566 DODKPEHDUCHUFG-VIFPVBQESA-N 334.313 2.827 0 50 EFAA COc1ccc(CN(C(=O)C[C@H]2COC(=O)C2)[C@H](C)C2CC2)cc1 122895215 FHUOFSUZGSXGBX-UKRRQHHQSA-N 331.412 2.776 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCCOc2ccccc2Cl)C1 237522926 OGPNYHLAYPZZCZ-MRXNPFEDSA-N 325.792 2.822 0 50 EFAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 237956646 SQMOHSXPPNHXJW-YWPYICTPSA-N 326.799 2.506 0 50 EFAA CCc1nnc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)o1 341877600 PGOQGDPTYYZSBJ-VIFPVBQESA-N 345.325 2.847 0 50 EFAA C[C@@H]1CCc2c(sc3ncnc(NCCCN4CCOCC4)c23)C1 19497217 OPDMANVPJNKDLW-CYBMUJFWSA-N 346.500 2.950 0 50 EFAA FC(F)CN1CCC(c2nc(Cc3ccc4n[nH]cc4c3)no2)CC1 809496399 LJIIKHAVYXVJNV-UHFFFAOYSA-N 347.369 2.981 0 50 EFAA CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C(=O)O)C2 1875292014 TYSDOCQECNKEJA-HNJNHCNJSA-N 333.432 2.926 0 50 EFAA N[C@@H](C(=O)NCc1ccc(-c2nccs2)cc1)C1CC(F)(F)C1 1875315639 BYCDQXAATDSLHS-CYBMUJFWSA-N 337.395 2.799 0 50 EFAA CC(=O)N1CCN(CCN[C@@H](C)C[C@@H](C)SC2CCCC2)CC1 888099145 VZCMYCSPNGTHPQ-JKSUJKDBSA-N 341.565 2.583 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cc(C)nc(C3CC3)n2)C1 888102857 QZGWEJSNJKSWHT-CABCVRRESA-N 327.432 2.969 0 50 EFAA COc1ccc(F)cc1[C@H](C)NC(=O)NC1(c2nc(C)no2)CC1 892000209 AMLSNDFCFLKUMZ-VIFPVBQESA-N 334.351 2.575 0 50 EFAA COc1ccc(CSc2nnnn2-c2ccc(C(=O)O)cc2)cc1 80581 KJUUEBYKNZHOQU-UHFFFAOYSA-N 342.380 2.661 0 50 EFAA Cc1ccsc1/C=c1\sc2nnc(-c3ccccc3)n2c1=O 13534013 GJDJGCUOWSLWTA-LCYFTJDESA-N 325.418 2.736 0 50 EFAA Cc1c([C@@H](C)NCCc2ccc3c(c2)OCCO3)cnc2ccnn12 2325722036 DMRCHLUSEAQFES-CYBMUJFWSA-N 338.411 2.702 0 50 EFAA Brc1cccc2[nH]c(CNCC3(n4ccnn4)CC3)cc12 2325784030 VMIFWLWPHLUTRF-UHFFFAOYSA-N 346.232 2.801 0 50 EFAA Cn1cc2c(n1)CCC[C@H]2C(=O)N1CC(C)(c2ccc(F)cc2)C1 2325803149 SQUAPQOIPLOTIS-OAHLLOKOSA-N 327.403 2.779 0 50 EFAA C[C@@H]1CCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)CCN1 2325866646 TZFFDQBCRFCJIC-MRXNPFEDSA-N 347.466 2.852 0 50 EFAA CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)n1 245312456 JIPDLDSRKJOMDY-WCXIOVBPSA-N 348.491 2.719 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(F)cc2)c1 183555 IKRYCMCHBYAQMA-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1C 802712 XGLVWJQEWKNOEZ-KBPBESRZSA-N 327.446 2.500 0 50 EFAA CC[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(C)=O)cc1 2325626 LFKMIFHMWXZMKJ-NSHDSACASA-N 336.442 2.832 0 50 EFAA CCc1ccc(Cn2nc(CC(N)=O)nc2CCC=C(C)C)cc1 2356143134 WELFGLYAFXSCPL-UHFFFAOYSA-N 326.444 2.815 0 50 EFAA O=C(O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 4690144 TWTQLZIRPFSPNO-UHFFFAOYSA-N 325.773 2.620 0 50 EFAA Cc1ccccc1-n1ncc2c(=O)n(CCc3ccncc3)cnc21 114994218 GWCQKQPIFLLOAM-UHFFFAOYSA-N 331.379 2.528 0 50 EFAA CCN(CC)CCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C 55153277 SLQVJCGBHFOLCW-CVEARBPZSA-N 339.524 2.508 0 50 EFAA CC[C@@H]1CN([C@@H](C)c2nc(-c3ccccc3)no2)CCN1C[C@H](C)O 247138168 KWSZNPLPVURNQD-YQQAZPJKSA-N 344.459 2.575 0 50 EFAA CC[C@@H](NCC(=O)Nc1ccc(Cl)c(OC)c1)c1ccnn1C 65403451 NBTYJJVLTBGCCG-CYBMUJFWSA-N 336.823 2.762 0 50 EFAA Cc1nc(-c2cccnc2)sc1C(=O)NCCCn1ccnc1 22237578 KPHWAABWERVTMF-UHFFFAOYSA-N 327.413 2.530 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 248164528 ZCTVBTOOAQGQDY-FJIDUMEYSA-N 328.456 2.884 0 50 EFAA CCc1noc(CN(CC)C(=O)[C@@H](c2cccc(C)c2)N(C)C)n1 65399210 SLGKPHLYTUHHHU-QGZVFWFLSA-N 330.432 2.592 0 50 EFAA CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1nnc2n1CCCC2 135278898 GOWILWRZIXYWRP-UKRRQHHQSA-N 334.464 2.920 0 50 EFAA COc1ccc2c(C)nc(N3CCN(C(=O)C(C)(C)C)CC3)nc2c1 67803283 UOOSCJFPQLRCQB-UHFFFAOYSA-N 342.443 2.642 0 50 EFAA CCOC[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 248720487 CHONKUOMXDBBFA-QRQLOZEOSA-N 345.487 2.575 0 50 EFAA O=C1CC[C@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1 67641199 VTJIDDKTZMQEMP-HNNXBMFYSA-N 332.448 2.608 0 50 EFAA O=C(CCCn1cccn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 68975299 HWJMUCLUGZXOSG-OAHLLOKOSA-N 337.427 2.946 0 50 EFAA Cc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)o1 20149608 WSFMVVVSQFFJDG-IBGZPJMESA-N 328.456 2.699 0 50 EFAA O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCC[C@]2(CC=CCC2)C1 125761800 PVJTUFFXHVRRTE-LJQANCHMSA-N 340.427 2.641 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 67605622 WNSFCKJUUIHAJJ-LLVKDONJSA-N 343.408 2.638 0 50 EFAA C[C@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21 67846728 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DFHUVGGELISRJT-CQSZACIVSA-N 344.436 2.903 0 50 EFAA COc1ccc(CN(C)C(=O)c2ccc(C(=O)O)s2)c(OC)c1 262003392 DTENBMSGSSYGML-UHFFFAOYSA-N 335.381 2.736 0 50 EFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N1CCO[C@@H](c2ccc(F)cc2)C1 237909563 AQALZEQUERJPTJ-FXANMCRTSA-N 332.419 2.646 0 50 EFAA O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H]2CNCCC[C@@H]21 373559932 JJRYUYOZRVQQHA-DOMZBBRYSA-N 330.457 2.742 0 50 EFAA Cn1cc([C@@H](NC(=O)c2ccc(C(=O)O)cc2F)C(C)(C)C)cn1 262302723 AMVWHFQGULZYTE-CQSZACIVSA-N 333.363 2.775 0 50 EFAA COc1cccc(C2(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)CC2)c1 375726471 IOEADUPXWQJHRA-AWEZNQCLSA-N 325.412 2.856 0 50 EFAA N[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 158565748 HQHQYIMPCHHNOO-LBPRGKRZSA-N 339.226 2.742 0 50 EFAA CCN1CCOC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 378359733 ZEMMVQONNCASDR-INIZCTEOSA-N 337.851 2.599 0 50 EFAA CCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 283544551 NMGYVQDREAFWNM-UHFFFAOYSA-N 333.823 2.800 0 50 EFAA O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1 284155474 FIQNVABDXPCVMD-SNVBAGLBSA-N 343.811 2.771 0 50 EFAA CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CCO[C@H]1c1nccn1C 284524778 FXRVYTGMPBDJRB-NVXWUHKLSA-N 339.395 2.903 0 50 EFAA Cc1cc(N[C@H]2CCNC2=O)nn1-c1ccc(Cl)cc1Cl 225552149 WZGXAIZABLNLSE-NSHDSACASA-N 325.199 2.788 0 50 EFAA Cc1ccc2[nH]c(=O)c(CN3CCN(C(=O)C(C)(C)C)CC3)cc2c1 41376950 LHHLMRJDRVDPSO-UHFFFAOYSA-N 341.455 2.527 0 50 EFAA O=C(O)Cn1nccc1[C@H]1CCCN(CC2CCC(F)(F)CC2)C1 426712841 XBKPHYNDPHSOMP-AWEZNQCLSA-N 341.402 2.973 0 50 EFAA C[C@@H](NC(=O)CCCOc1ccccc1)c1cn2ncsc2n1 222236531 NUEYKRJIDQMGKS-GFCCVEGCSA-N 330.413 2.827 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)s1 223170994 CHNNZZPJCVFWMB-KBPBESRZSA-N 337.441 2.512 0 50 EFAA CCc1nc(NCCCN2CCOCC2)c2c3c(sc2n1)CCC3 41090172 DQWWSMXPGXRMLJ-UHFFFAOYSA-N 346.500 2.877 0 50 EFAA O=C(c1cc(F)cc(Cl)c1)N1CCn2nc([C@H](O)C3CC3)cc2C1 220423002 FNJGNEQTNNTTMT-MRXNPFEDSA-N 349.793 2.775 0 50 EFAA CCc1cnc(-c2cccc(C(=O)N(C)Cc3noc(C)n3)c2)nc1 426428371 YZFKMCXHMKZXGH-UHFFFAOYSA-N 337.383 2.670 0 50 EFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCCCN2CCCC2)c1 96138792 MOGJTEKFYNSVCU-UHFFFAOYSA-N 336.411 2.782 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)c(=O)[nH]c1C 91895068 BKMVMBAQVLAFIK-ZDUSSCGKSA-N 344.415 2.518 0 50 EFAA Cc1nc(CCNC(=O)N(C)CCc2ccccn2)sc1Cl 426563032 OBZOTRVRGHSANY-UHFFFAOYSA-N 338.864 2.927 0 50 EFAA CCc1ccnc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c1 180191472 QVUZLEKTDHOIMU-UHFFFAOYSA-N 342.424 2.814 0 50 EFAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@H]1c1ccccc1 97156109 LOLAXWHEMKIHIW-SFHVURJKSA-N 333.395 2.699 0 50 EFAA Cc1[nH]c(=O)c(C(=O)N[C@H](c2ccccn2)C(F)(F)F)c(C)c1C 97212996 SQECFFDZWVCCPC-CYBMUJFWSA-N 339.317 2.729 0 50 EFAA Nc1nc(N2CCC(Oc3ccccc3Cl)CC2)c2nc[nH]c2n1 95501167 AAYRMUSXXGWXOQ-UHFFFAOYSA-N 344.806 2.636 0 50 EFAA CCN1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2)CC1 95516522 PAJYEZVIJLQAQL-INIZCTEOSA-N 338.835 2.704 0 50 EFAA CC(C)N1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 95353123 SFUBEUZMLIAAHO-UHFFFAOYSA-N 347.478 2.985 0 50 EFAA COc1cccc(C2(CN[C@H](c3cccnc3)c3nnc[nH]3)CC2)c1 294431334 UTQPBJWQDUEXJN-QGZVFWFLSA-N 335.411 2.619 0 50 EFAA CCCn1cc(C(=O)NCc2c[nH]nc2-c2cccs2)c(C)n1 92022713 CCVITFHTHMHWJC-UHFFFAOYSA-N 329.429 2.983 0 50 EFAA O=C(Cn1ccccc1=O)N(Cc1ccncc1)C1CCCCC1 97492497 PNLVGWGGDBQKAF-UHFFFAOYSA-N 325.412 2.605 0 50 EFAA CCCN(Cc1nccn1C)C(=O)[C@H](C)N1CCc2ccccc2C1 95377369 VLYPUVHIMOBLJA-INIZCTEOSA-N 340.471 2.606 0 50 EFAA Cc1nc([C@H](C)NC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)n[nH]1 96152236 WPFNTOCVIARULJ-VIFPVBQESA-N 327.392 2.996 0 50 EFAA Cc1cccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)c1C 95370958 IDEWBAMJQFULKW-SFHVURJKSA-N 344.455 2.764 0 50 EFAA O=C(c1cccc(-c2cn[nH]c2)c1)N(Cc1cocn1)Cc1cocn1 97601150 BUQDKUVRBJDECR-UHFFFAOYSA-N 349.350 2.895 0 50 EFAA CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C1CCSCC1 244701250 KCXWEMYKBMODQJ-SFHVURJKSA-N 348.512 2.632 0 50 EFAA Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)nn1-c1ccc(F)cc1 181817286 MDPFYYNRASBDLM-UHFFFAOYSA-N 336.330 2.843 0 50 EFAA C[C@@]1(O)CCCN(C(=O)NCc2ccccc2N2CCCCC2)C1 183687568 SKCRFIWSVVUESR-LJQANCHMSA-N 331.460 2.733 0 50 EFAA C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc2c(cc1Cl)OCO2 299356339 IZVHJBKPNZBFSI-UWVGGRQHSA-N 327.764 2.591 0 50 EFAA Cc1oc2c(c1C(=O)N[C@@H](C)c1cn3ncsc3n1)C(=O)CCC2 252506646 WBYPQMYGTIONRD-QMMMGPOBSA-N 344.396 2.702 0 50 EFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6[C@]1(O)[C@]54C)[C@H]32 253595945 LHSMBRLTQUGMJF-FSKHGAHCSA-N 340.463 2.721 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc2c(n1)CCCC2 299742501 JRKBSRUHZZXTHL-HNAYVOBHSA-N 326.444 2.561 0 50 EFAA CCN(Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1)C1CC1 299740198 WUMFHOBIZZXBQD-KXBFYZLASA-N 329.488 2.870 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@H]1CCC(=O)O 299744782 PWLUPWMLSHRYLY-INIZCTEOSA-N 349.475 2.944 0 50 EFAA COc1ccc([C@H](C)CN2CCN(c3ccnc(C)n3)CC2)cc1 184768151 CEZZWNOQSCVLOB-OAHLLOKOSA-N 326.444 2.719 0 50 EFAA CCN(C)C[C@@H](C)CNC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 534670113 AUAHWEJYCNZYFN-AWEZNQCLSA-N 345.491 2.643 0 50 EFAA COc1cccc(-n2cc(CN(C)Cc3nnc(C)s3)cn2)c1 299767500 HKCDGYBDKOINND-UHFFFAOYSA-N 329.429 2.673 0 50 EFAA COc1ccc([C@@]2(C(=O)NCCn3cnc(C)c3C)CC2(C)C)cc1 299782861 QORMTFHXBICHPW-HXUWFJFHSA-N 341.455 2.993 0 50 EFAA Cc1ccc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(O)n1 825166304 VLNJRAHMJNGRIE-IGDFAFLASA-N 330.428 2.545 0 50 EFAA CN1CCCCC[C@H]1c1nc(-c2c[nH]c3ccccc23)nn1CCO 670451593 JTYSRNSPZAXURK-KRWDZBQOSA-N 339.443 2.966 0 50 EFAA CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2scnc2C)C1 983929702 GQFKHVHUOPBUHV-QLFBSQMISA-N 349.500 2.951 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N(C)C[C@H](O)c1cccnc1 1363896820 ZMBYWJHKOBMGMB-HOTGVXAUSA-N 332.375 2.570 0 50 EFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCc2ccnn2C)c1 952967236 HFVZDMAHCOKPRN-ZDUSSCGKSA-N 326.400 2.507 0 50 EFAA Nc1nc2c(c(C(=O)N(Cc3ccsc3)C3CC3)n1)CCCC2 952978246 KSYPHROXUZGAKL-UHFFFAOYSA-N 328.441 2.804 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2ccc(N)c(OC(F)(F)F)c2)C1 408523058 ONCYJFSQXZXRDR-SNVBAGLBSA-N 332.322 2.666 0 50 EFAA O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)[C@H]1Cc2ccccc21 408512993 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2.904 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc3nccc(C)c3c2)C1 644121537 PPQQAEWQXCYQNP-PBHICJAKSA-N 336.395 2.869 0 50 EFAA Cc1nc(CN2CCC(CN[C@@H](C)c3ccnn3C)CC2)oc1C 192856228 FVIIOVCNZFGZIH-AWEZNQCLSA-N 331.464 2.588 0 50 EFAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 194098267 KEZHTSNHTHDZSL-SUMWQHHRSA-N 344.459 2.712 0 50 EFAA CCO[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 194219384 RYUYSJKXERGGQC-LRDDRELGSA-N 343.358 2.837 0 50 EFAA CNC(=O)c1cc(OC)ccc1NC(=O)c1coc(C2CCC2)n1 194256107 DPPQPSPQVLPOCI-UHFFFAOYSA-N 329.356 2.563 0 50 EFAA O=S(=O)(Cc1ccc(Br)cc1)Nc1ccncc1 194560099 WRRZVRVPKQKMHX-UHFFFAOYSA-N 327.203 2.786 0 50 EFAA C[C@@H]1CN(CCOc2cccc(C(=O)O)c2)C[C@](C)(C(F)F)O1 663316940 JFBXZYNKRZAYOU-BDJLRTHQSA-N 329.343 2.508 0 50 EFAA COc1nc(C)cc(N2CCC(O)(Cc3cccc(F)c3)CC2)n1 681154025 XCFUJCUMIQRMIX-UHFFFAOYSA-N 331.391 2.507 0 50 EFAA FC(F)(F)Cn1cc(Br)c(NCc2ccon2)n1 902640485 AUZUWIGLGFMBMN-UHFFFAOYSA-N 325.088 2.808 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)N1CCO[C@@H](c2ccc(F)cc2)C1 1506402633 UQSMKQSPQGCJLJ-FUTAKVPZSA-N 347.411 2.993 0 50 EFAA CS(=O)(=O)c1ccc(/C=C/c2ccc(S(C)(=O)=O)cc2)cc1 409790 HNAKRKWUMMRBAC-ONEGZZNKSA-N 336.434 2.664 0 50 EFAA O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](C2(O)CC2)C1 1772819994 ZQYIZUWDMOCPKK-LBPRGKRZSA-N 329.318 2.962 0 50 EFAA O=C(NC[C@@H]1CCCCO1)c1coc(COc2ccc(F)cc2)n1 12469566 FZLOILGTTDBOIG-AWEZNQCLSA-N 334.347 2.692 0 50 EFAA Cc1nc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cs1 12589402 UNGSMFFJYQSFPV-GFCCVEGCSA-N 349.843 2.636 0 50 EFAA CCc1ccccc1N1C[C@@H](c2nnc(NC(C)=O)s2)CC1=O 13942543 AFLFFAIMCZMIIK-LBPRGKRZSA-N 330.413 2.579 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1 19773545 MBFBDLQAKHCFKN-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CCOc1cc(CN2CCN(Cc3ccccn3)CC2)ccc1OC 19789467 DXFGANQJNSJNNR-UHFFFAOYSA-N 341.455 2.807 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 219924978 ROMXZOPOWQVTDR-YRNRMSPPSA-N 335.407 2.665 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2CNC(=O)c2ccc(F)cc2F)cn1 1857528714 KYEZLPDHRNFSMW-BZNIZROVSA-N 335.354 2.689 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CCC2 1857693102 ICWGEEMKEKNURZ-AWEZNQCLSA-N 341.411 2.584 0 50 EFAA COc1cccc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1857732888 LQDKDJDUMYGGOQ-OXQOHEQNSA-N 349.434 2.674 0 50 EFAA CC(=O)N(C[C@H]1CCCN1C(=O)c1cc(CC(C)C)c[nH]1)C1CC1 412307210 RTUVPIKPCRAASI-QGZVFWFLSA-N 331.460 2.829 0 50 EFAA Cn1cc([C@H]2CCN(S(=O)(=O)CC34CCC(CC3)CC4)C2)cn1 330359295 VVVUJHNFRLXLTH-CKDBGZEDSA-N 337.489 2.510 0 50 EFAA Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]([C@@H](C)O)C3)c2C)cc1 650528172 WKLHOCSDSZJWDW-HUUCEWRRSA-N 328.416 2.724 0 50 EFAA CC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3C)c2N)cc1 11692993 HMQQMTHGQDGGHP-UHFFFAOYSA-N 335.367 2.613 0 50 EFAA COc1cc(OC)nc(N2C[C@@H](c3ccccc3C)OC[C@H]2C)n1 672231365 RYVZOEKNDVFODJ-HIFRSBDPSA-N 329.400 2.769 0 50 EFAA COc1coc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)cc1=O 252497431 QHKLEEKVKWAHMQ-IBGZPJMESA-N 327.380 2.761 0 50 EFAA CN(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 156615882 RZQKTVJTEUJWRC-KRWDZBQOSA-N 343.471 2.664 0 50 EFAA Cc1nc([C@H]2COCCN2C(=O)c2c(C)oc3ccccc23)no1 372002679 IYKUVBNVCFHXJU-CYBMUJFWSA-N 327.340 2.646 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CCN[C@@H](C)C3)[C@@H](C)CO2)c1 262419413 USGNNPNANOPAKB-DWRORGKVSA-N 330.472 2.980 0 50 EFAA CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 267337624 PREBJUTVFLTYOK-WFASDCNBSA-N 349.456 2.838 0 50 EFAA O=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1cnn(C2CCC2)c1 901906794 ZHTOYBKGSJHVLC-UHFFFAOYSA-N 343.412 2.799 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)c2cccn(CC(F)(F)F)c2=O)[C@H]1C 907677249 OVJQDOVHQZJHFL-WOPDTQHZSA-N 330.350 2.917 0 50 EFAA COc1cccc2c1CCCCN2C(=O)COc1c(C)occc1=O 935068879 KFFWPBNZQWRDTM-UHFFFAOYSA-N 343.379 2.705 0 50 EFAA CCn1cc(CC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)nn1 935248478 CHYPMAFEMRMFEA-AWEZNQCLSA-N 334.807 2.524 0 50 EFAA Cc1ccccc1[C@H](O)C1CCN(C(=O)Cc2cncc(O)c2)CC1 848378384 PANMJCRSVXFEHY-HXUWFJFHSA-N 340.423 2.610 0 50 EFAA C[C@H](NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccc2c(c1)CCO2 850552153 MFCFIWZQEQBTCI-QANKJYHBSA-N 327.428 2.783 0 50 EFAA COc1cccc(F)c1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875296120 ZWGZBXNJIBONBD-VHSXEESVSA-N 333.363 2.510 0 50 EFAA O=C1CC[C@H](c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)N1 1875289413 PTCOLQWFDPJMLV-OAHLLOKOSA-N 334.372 2.578 0 50 EFAA O=CN[C@H](Cc1ccsc1)C(=O)N1C[C@H]2CCCCCC[C@H]2C1 1875322250 NFZYTMGPXUNYOR-IXDOHACOSA-N 334.485 2.834 0 50 EFAA O=C(NCC1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1 1875325939 HBIXGSJQVWOKCS-UHFFFAOYSA-N 330.837 2.908 0 50 EFAA CC[C@@H]1CN(CCNC(=O)c2cscc2C(F)(F)F)CCO1 888100703 IEMPLHRWFFFWCX-SNVBAGLBSA-N 336.379 2.608 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)[C@@]1(C)CCOc2ccccc21 890849475 AWAUKAUYPUFGFS-FQEVSTJZSA-N 335.407 2.999 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)NC1CCN(c2ccccc2)CC1 895848912 RBBYIRYIPXGTDK-LJQANCHMSA-N 349.434 2.646 0 50 EFAA CCN(CC)c1ncc(CN2C[C@@H](OC)C[C@@H]2c2ncc[nH]2)s1 1775985494 ZFZJCKIOVCPKQV-GXTWGEPZSA-N 335.477 2.674 0 50 EFAA C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CCC=CN1C(=O)OC(C)(C)C 1775994238 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GZURUEHOGOZZOA-LVQVYYBASA-N 325.364 2.741 0 50 EFAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=NNC(=O)CC1 55369798 MGYSPZCJNNOPKO-SFHVURJKSA-N 338.411 2.516 0 50 EFAA O=C1CN(C(=O)c2cc3ccccc3[nH]2)CCN1CCc1ccccc1 20999851 LFYLAVPMNFEMIY-UHFFFAOYSA-N 347.418 2.695 0 50 EFAA C[C@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cccnc2)C1=O 136909264 KZKDJFFFLUEKPQ-BEFAXECRSA-N 339.439 2.894 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(NC(C)=O)cc1 55245328 QVWOMXNAEIPIGN-UHFFFAOYSA-N 344.415 2.889 0 50 EFAA CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@]1(O)CCCN2CCCC[C@@H]21 63848847 KNEJLDYRMRGSGG-IEBWSBKVSA-N 334.508 2.518 0 50 EFAA Fc1ccc(-c2n[nH]cc2CNCc2noc([C@H]3CCCO3)n2)cc1 55392835 CTPPCOQLTGYQIE-CQSZACIVSA-N 343.362 2.740 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 248089396 LEVAVHQEVCFWPL-BMFZPTHFSA-N 344.455 2.618 0 50 EFAA Cc1ccc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nn1 67974189 VXQJAFHQIXYEFG-UHFFFAOYSA-N 334.379 2.952 0 50 EFAA C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229314760 DWKTVBGHBSPHHA-WDEREUQCSA-N 334.370 2.727 0 50 EFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F 229510020 VROSTRKKASVYBU-YUTCNCBUSA-N 331.334 2.990 0 50 EFAA CC(C)N1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 120375995 KROHCYZOZHIGER-UHFFFAOYSA-N 327.375 2.888 0 50 EFAA COc1ccc(C(=O)CCC(=O)N2CCC3(CCN(C)C3)CC2)cc1 65406063 XWZCDOKHZHAGNY-UHFFFAOYSA-N 344.455 2.602 0 50 EFAA CCN(CC)CCc1ccc(NC(=O)NCc2noc(C)n2)cc1 252510741 ZPODZPSWBCVOBW-UHFFFAOYSA-N 331.420 2.584 0 50 EFAA CC(C)(C)c1noc(CCC(=O)N2CCO[C@H](c3ccsc3)C2)n1 120964567 LFONQAUGRAIUER-ZDUSSCGKSA-N 349.456 2.961 0 50 EFAA COC(=O)c1cc(C)nc(N2CCC[C@@H]2CC(=O)c2cccs2)n1 328588003 LMCYOHNWAVUQHD-GFCCVEGCSA-N 345.424 2.875 0 50 EFAA C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc2c(cn1)OCCC2 328587158 AMMIVYLZAUNLMW-FZMZJTMJSA-N 332.425 2.710 0 50 EFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2ccn(C)c2)cs1 328603085 DRFBAUCQBMTZQI-RDJZCZTQSA-N 336.480 2.834 0 50 EFAA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 71760145 JOVWLCPDAAGOGG-HNNXBMFYSA-N 339.395 2.660 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(OC)c1 253394627 IEOKWWHXPFSAMQ-DJIMGWMZSA-N 333.428 2.860 0 50 EFAA Cc1noc(C(C)(C)NC(=O)Nc2ncn(C3CCCCC3)n2)n1 253420900 HLFIJQQRDZKHNU-UHFFFAOYSA-N 333.396 2.532 0 50 EFAA COCC[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1ccc(C)o1 253425615 SJIPTEWWNJLLOH-HOTGVXAUSA-N 335.448 2.545 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C(=O)Nc1ccccc1 152234182 IUCHZASQVQRKNK-HOCLYGCPSA-N 345.443 2.805 0 50 EFAA CN(C)CCOc1cnccc1CN[C@H]1CCCc2ccc(O)cc21 361002032 HXZIIANFARWXHC-IBGZPJMESA-N 341.455 2.895 0 50 EFAA Fc1ccccc1CN1CCCN(c2ncnc3[nH]ccc23)CC1 77407422 VJRRECRLDCOTAX-UHFFFAOYSA-N 325.391 2.809 0 50 EFAA CC(C)c1noc(-c2ccc(N3CCN(CC4CC4)CC3)nc2)n1 39356688 AIPBFDNJQMPVGK-UHFFFAOYSA-N 327.432 2.787 0 50 EFAA Cc1ncsc1CCN(C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 215873980 CQOLPPAZBGDYAP-UHFFFAOYSA-N 345.399 2.747 0 50 EFAA CNS(=O)(=O)c1ccc(N2CCC[C@@H]2/C=C/c2cccs2)nc1 368779276 KCAHMJLQEWLPGI-KTRBRXNASA-N 349.481 2.733 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 72157560 JWQZELYEQRBGQF-INIZCTEOSA-N 339.439 2.598 0 50 EFAA N[C@H](CCC(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 156786840 OIEYTAWUUQEMIJ-LJQANCHMSA-N 346.471 2.653 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)N[C@H]1C[C@@H](C)n3ccnc31)CC2 333156548 GNKJCACQFLRKBO-DYVFJYSZSA-N 340.427 2.708 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)cnc2ccnn12 71416035 FKHBHSVYXPFHRW-HNNXBMFYSA-N 330.432 2.705 0 50 EFAA COCCCn1nccc1CN1C[C@@H](C)C(=O)N(C)c2ccccc21 377887881 HNSHEKPJFMDZAT-OAHLLOKOSA-N 342.443 2.539 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H](C(=O)O)c3ccccc32)n1 262693147 CPHJSIRYKCIIHU-UKRRQHHQSA-N 327.384 2.666 0 50 EFAA CCCc1ncc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)s1 262951665 MWLNXNOECUPTJO-UHFFFAOYSA-N 336.388 2.962 0 50 EFAA Cc1ccc(CN(C)Cc2ccccc2OCCN2CCOCC2)o1 216264856 HXDBOMXSIRXVTQ-UHFFFAOYSA-N 344.455 2.931 0 50 EFAA COc1ccc2oc(CN[C@H]3CCO[C@@H]3c3ccnn3C)cc2c1 284381830 AQUPQFJHKFLHJO-YJBOKZPZSA-N 327.384 2.795 0 50 EFAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 242167703 WYSQVSHRMXFISF-IJXRJRJASA-N 340.467 2.697 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc3nncn3c2)[C@@H](C)CO1 174399620 ZXWMKKLLZOQCAA-WMLDXEAASA-N 336.395 2.640 0 50 EFAA O=C(c1cnn2ccccc12)N1CCC[C@@H](OCc2ccccn2)C1 82097955 BOSZZQVHBSPNAX-MRXNPFEDSA-N 336.395 2.551 0 50 EFAA C[C@@H](NCc1c[nH]c2nccnc12)c1ccc(N2CCOC2=O)cc1 290823452 HEZZNASCANHXOK-GFCCVEGCSA-N 337.383 2.765 0 50 EFAA CCn1cc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cn1 291277771 RVVOKMIAPWUMLM-SFHVURJKSA-N 340.471 2.935 0 50 EFAA Cc1ncc(C(=O)NC[C@H](O)c2ccc(O)cc2)c(-c2ccccc2)n1 426509575 VOCLLKANJBUZIX-SFHVURJKSA-N 349.390 2.621 0 50 EFAA O=C(C1CC1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 426388036 UAQXLNDARAFSQE-NRFANRHFSA-N 340.467 2.870 0 50 EFAA COc1ccc(OCC2CCN(C(=O)C[C@H]3CCOC3)CC2)cc1 426535954 VCQOYLHQBRKCHF-MRXNPFEDSA-N 333.428 2.739 0 50 EFAA CC[C@H](NC(=O)c1cnn(-c2ccccc2OC)c1)c1nc(C)c[nH]1 91305992 OCYUGJHFWVSPCF-AWEZNQCLSA-N 339.399 2.794 0 50 EFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(C(=O)O)cc1)C2 91326396 NQRQIEGFFGTCKZ-ZWKOTPCHSA-N 342.439 2.774 0 50 EFAA Cc1ccccc1C1(CNC(=O)NO[C@H]2CCCCO2)CCOCC1 162369693 RXTYEIHDBTYSQU-KRWDZBQOSA-N 348.443 2.801 0 50 EFAA CC(C)=CC[C@@]1(CO)CCCN(Cc2ccccc2OCCO)C1 91943073 JDYFYXULWDUBOU-FQEVSTJZSA-N 333.472 2.989 0 50 EFAA Cc1cnc(N2CCC[C@H](S(C)(=O)=O)C2)nc1-c1ccccc1F 293113892 QMWFEKORPDUEAM-ZDUSSCGKSA-N 349.431 2.605 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2)Nc1cccnc1 91737726 LKWKQXVOCYGTGN-PKOBYXMFSA-N 342.487 2.607 0 50 EFAA CNc1nc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cs1 96131486 BRYZRSQTXKNCPL-UHFFFAOYSA-N 339.424 2.773 0 50 EFAA Cc1ccc(C(C)(C)NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)cn1 330834541 WDABWRYEKNLRPX-GFCCVEGCSA-N 328.460 2.970 0 50 EFAA CN1CCN(Cc2ccc(-c3ncnn3C3CCCCC3)o2)CC1 91665623 NAWWJEKFKYIPMA-UHFFFAOYSA-N 329.448 2.791 0 50 EFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc2nccn2c1 91895005 XPGQDFSDJWRSEO-ZDUSSCGKSA-N 337.379 2.939 0 50 EFAA Cc1ncc(S(C)(=O)=O)c(NCc2c(F)cccc2Cl)n1 95354717 BIMNIEZHRBNBHK-UHFFFAOYSA-N 329.784 2.593 0 50 EFAA O=C(NCCc1ccccn1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 91270644 ZUPSCSRZRVKQCK-INIZCTEOSA-N 343.471 2.702 0 50 EFAA Cc1cc(NC(=O)C(=O)N[C@H]2CCCOCC2)ccc1C(F)(F)F 181009890 LAABZXOCCXZREQ-NSHDSACASA-N 344.333 2.638 0 50 EFAA O=C(Nc1ccccc1Cc1ccccc1)N1CCOC[C@@H](O)C1 97307069 SVZYSUAFJBGJRL-KRWDZBQOSA-N 326.396 2.502 0 50 EFAA CN(C)[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 182086537 KHDXRSRINFFEAL-IAGOWNOFSA-N 332.423 2.665 0 50 EFAA CCN(CCC1=CCCCC1)C(=O)c1cnn2cc(CCO)cnc12 244795267 RCUJIVTZPOZJME-UHFFFAOYSA-N 342.443 2.617 0 50 EFAA O=C(O)c1coc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 183777315 NOOUQRQQVWEXGR-UHFFFAOYSA-N 342.351 2.743 0 50 EFAA CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 299345286 RLMYLCFZTHDDOS-AWEZNQCLSA-N 347.411 2.859 0 50 EFAA COc1ncccc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299742174 IHHOMLHCEFSXHQ-BBRMVZONSA-N 330.359 2.737 0 50 EFAA O=C(NCCc1csc(-c2ccncc2)n1)N1CCSCC1 534645338 BAPXRDSOPOHDQK-UHFFFAOYSA-N 334.470 2.506 0 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CN(CC(=O)O)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)CC1 192147111 GKBRUWKTKRSIIC-QGZVFWFLSA-N 344.455 2.506 0 50 EFAA CC[C@@H](C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccc(OC)cc1 192607974 RDLHKGRSYYTQAI-FGTMMUONSA-N 343.427 2.569 0 50 EFAA c1cncc([C@H](NC[C@@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 195102896 HVURKGCOXYFEQW-SJORKVTESA-N 342.443 2.950 0 50 EFAA O=C(O)C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1F 776661196 ZCQAIMICIMHHJK-AWEZNQCLSA-N 345.305 2.787 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)sn1 1664980177 GSZGIHOWCPRRJV-OAHLLOKOSA-N 348.449 2.617 0 50 EFAA COc1ccc(CN(CCc2ccccc2)C(=O)NCC(=O)O)cc1 1506408970 FNBJYJJUGXSFQT-UHFFFAOYSA-N 342.395 2.534 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)Nc1ncc(F)c(N(C)C)n1 1529179605 DGRBQXHPIBGKIM-ZDUSSCGKSA-N 329.423 2.540 0 50 EFAA O=C(CC1CCNCC1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529145785 MQVZUSBEOXACHU-RBUKOAKNSA-N 328.456 2.755 0 50 EFAA CCOc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2N)cc1 11690527 CNRZYTFOOKWVQR-UHFFFAOYSA-N 337.383 2.525 0 50 EFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC3(CC2)OCCO3)c1 13331325 GQERATSIHPKAHN-CYBMUJFWSA-N 339.819 2.781 0 50 EFAA Cc1scc(C(=O)NCCN2CCOCC2)c1-c1ccccc1 13744437 MRMZCCPIPZHNGR-UHFFFAOYSA-N 330.453 2.786 0 50 EFAA COc1ccc(OC)c(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1 15722505 AZMYCXMBCKBHCF-PTNGSMBKSA-N 340.404 2.966 0 50 EFAA O=C(c1nccc2ccccc12)N1CCN(Cc2cccnc2)CC1 19840113 OJXADUMLBKTDPK-UHFFFAOYSA-N 332.407 2.588 0 50 EFAA COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 19922548 KQMQBSDTUIFNEZ-UHFFFAOYSA-N 326.396 2.780 0 50 EFAA C[C@H]1Oc2ccc(Nc3ncncc3Br)cc2NC1=O 253428485 DHVLYSHMLVINSQ-SSDOTTSWSA-N 335.161 2.702 0 50 EFAA COc1ccccc1S(=O)(=O)NCCOC1CCCCCC1 118437484 BAJVONXHGZPHHA-UHFFFAOYSA-N 327.446 2.713 0 50 EFAA CC(=O)N[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914036 ZBHPCFVWCHWDCE-YRQPXTNQSA-N 347.499 2.786 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccncc2Cl)c1 337513869 OBKHBTFDRNTYAH-LRDDRELGSA-N 332.787 2.692 0 50 EFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nccc(N)n1 131755013 FARAVSYEINETGV-JTQLQIEISA-N 338.333 2.573 0 50 EFAA CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc2ncccc12 160272512 AAWFNBLPPFRKCH-UHFFFAOYSA-N 341.455 2.665 0 50 EFAA O=C(O)C1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 263575036 OHTYIARKXDWFTF-MRVPVSSYSA-N 348.346 2.733 0 50 EFAA O=C(c1cc(Br)cn2ncnc12)N1CCCC2(CC1)CC2 827672762 KLXUCEPDDKBVPQ-UHFFFAOYSA-N 349.232 2.898 0 50 EFAA Oc1n[nH]c([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)o2)n1 930466510 YPUNDGQRGMLCFK-AWEZNQCLSA-N 325.372 2.893 0 50 EFAA CCc1ccc2c(c1)CCN2C(=O)Nc1cc(C(=O)N(C)C)ccn1 930789936 WRKHULJMEDWPOL-UHFFFAOYSA-N 338.411 2.940 0 50 EFAA Cc1nc(COc2ccc(CN3CC[C@H](OC(F)F)C3)cc2)no1 952845219 LFJXSOYLCWGZGM-AWEZNQCLSA-N 339.342 2.771 0 50 EFAA CC(C)CNC(=O)c1ccc(NC(=O)N2CCCNC(C)(C)C2)cc1 952995362 JNCHQTYCQXETPV-UHFFFAOYSA-N 346.475 2.678 0 50 EFAA Cc1csc(-c2ccc(N[C@@H](C)CS(=O)(=O)N(C)C)cc2)n1 1875285151 DROMAMCKLWHPFO-LBPRGKRZSA-N 339.486 2.810 0 50 EFAA C[C@@H](NCc1cccnc1O)c1cc(F)ccc1N1CCC(O)CC1 1875284973 XJVPHBGAGJOSDV-CYBMUJFWSA-N 345.418 2.738 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1 1875373899 UCRHOLVAERXTBP-GOSISDBHSA-N 342.439 2.867 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)nc1 1875398083 AHVIWRVZBXJAMK-CYZMBNFOSA-N 326.322 2.549 0 50 EFAA Cc1ncccc1CC(=O)NCc1cn(-c2ccc(C(C)C)cc2)nn1 1875354039 OXPRAJIFRBVYTD-UHFFFAOYSA-N 349.438 2.953 0 50 EFAA CC(=O)N1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C(F)(F)F 886034098 OKRISHITAYTVNU-KGLIPLIRSA-N 332.366 2.935 0 50 EFAA C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=CC2(CCOCC2)C1 1775999778 WBFXRQHWVDPMCX-HNNXBMFYSA-N 344.430 2.990 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 141336 QIPXDNBRUUTWRN-UHFFFAOYSA-N 340.489 2.591 0 50 EFAA O=C(O)CC1CCN(C(=O)c2cc(Cc3ccccc3)on2)CC1 2325762886 OXJCKIKJTNTZKP-UHFFFAOYSA-N 328.368 2.592 0 50 EFAA O=C(NC1CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1 110573681 UYRJEXVNVGWNIP-JQFCIGGWSA-N 330.403 2.878 0 50 EFAA COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(OC)cc1Cl 475041 SCRJBRSRHBQGTB-VHSXEESVSA-N 339.775 2.963 0 50 EFAA Cn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1 549919 NLPJCTBGVLOWSX-UHFFFAOYSA-N 325.397 2.608 0 50 EFAA CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 2865956 LGEBFOWFOVSYSY-UHFFFAOYSA-N 348.468 2.767 0 50 EFAA O=c1ccc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2o1 6704508 IHYIBTNVABTMGR-UHFFFAOYSA-N 327.361 2.544 0 50 EFAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 100629559 GBVVZBXNFXCAPP-YLGOIMDESA-N 325.364 2.897 0 50 EFAA COC(=O)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 10542169 GOTJWXRWFVXPEZ-UHFFFAOYSA-N 344.455 2.698 0 50 EFAA COc1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCCNC2)cc1OC 248039075 SFIIHSIOOLYUDQ-DZKIICNBSA-N 334.460 2.907 0 50 EFAA CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 248061556 QELHMOYIGADMQD-GVDBMIGSSA-N 325.412 2.758 0 50 EFAA O=C(CCN1CCC(c2cccc(O)c2)CC1)Nc1cccnc1 65380850 AYAWQCJPQYWMOJ-UHFFFAOYSA-N 325.412 2.995 0 50 EFAA Cc1nc2c(c(NCc3nc(C(C)(C)C)cs3)n1)CCNCC2 65369783 PXGBRRKCHPIDMU-UHFFFAOYSA-N 331.489 2.839 0 50 EFAA CO[C@H]1CCC[C@H](OC(=O)CN(C)C(=O)OCc2ccccc2)C1 252511121 ZUPYFUXMODQWPR-HOTGVXAUSA-N 335.400 2.756 0 50 EFAA CCN1CC2(CCN(CCCOCc3ccccc3)CC2)CC1=O 72428121 CSLWXNRHLGSLCJ-UHFFFAOYSA-N 330.472 2.928 0 50 EFAA CC[C@@H](C)c1ccc(NC(=O)C[C@](O)(C(=O)OC)C(F)(F)F)cc1 2767777 XFVUMXNZXMZRNT-BMIGLBTASA-N 347.333 2.995 0 50 EFAA CCOC(=O)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 3104637 SCDXCVMAJGIHOB-UHFFFAOYSA-N 340.738 2.735 0 50 EFAA COc1ccc(N(C)C(=O)[C@H]2CCCC23OCCO3)cc1Cl 253406181 WNOPQBACSYKUEK-GFCCVEGCSA-N 325.792 2.855 0 50 EFAA Cc1cc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)[nH]n1 282799855 RJEHCJLWBGSBNS-ZDUSSCGKSA-N 337.420 2.567 0 50 EFAA CC(=O)N1CCc2nc(-c3ccccc3)nc(N3CC=CCC3)c2CC1 72436374 KZVGIXOPQZRQHZ-UHFFFAOYSA-N 348.450 2.857 0 50 EFAA C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 125300883 HFVXRUXUUGLZRD-RAIGVLPGSA-N 328.334 2.509 0 50 EFAA NC(=O)c1cc(Cl)ccc1NCc1nnc(C2CC2)n1C1CC1 360897806 WFQIKWUGSSHBMD-UHFFFAOYSA-N 331.807 2.855 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3)C[C@]2(CCO[C@@H]2C)O1 366075401 VYUDWJGYGOHATK-LPMFXHHGSA-N 346.427 2.812 0 50 EFAA O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cnc3[nH]ccnc2-3)CC1 367374332 HQIMKLMQQYHTFV-SFHVURJKSA-N 340.402 2.994 0 50 EFAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)CC1 337314360 XPZYFBGCRYYPLZ-ZDUSSCGKSA-N 331.384 2.664 0 50 EFAA O=S(=O)(C[C@H]1CCCCC1(F)F)N1CCC(n2ccnc2)CC1 332434564 ZVOCJIICSWYVBS-CYBMUJFWSA-N 347.431 2.675 0 50 EFAA CN(CCCc1cnn(C)c1)C(=O)c1cccc(CCC(C)(C)O)c1 72432518 KLOLQBNMVYACGH-UHFFFAOYSA-N 343.471 2.828 0 50 EFAA CC[C@@H](C)n1nc(C(=O)N2CCN(c3ccccc3O)CC2)cc1C 332428106 VBLOFPYSICTQSL-CQSZACIVSA-N 342.443 2.831 0 50 EFAA COc1ccc(NC(=O)CNc2ccc3ccn(C)c(=O)c3c2)cc1 241720881 QTBNCMCJAUZACW-UHFFFAOYSA-N 337.379 2.598 0 50 EFAA COc1cccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1F 241897301 TXMRIRPYJJAAHI-HOTGVXAUSA-N 333.407 2.656 0 50 EFAA CCc1noc2ncc(C(=O)NCc3nccn3-c3ccccc3)cc12 241965585 UUBGWCWZVJBXOM-UHFFFAOYSA-N 347.378 2.901 0 50 EFAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC[C@@H]1CCCO1 13331354 LTENYWMUZHJZHM-HNNXBMFYSA-N 346.406 2.988 0 50 EFAA Cn1nnc2cc(CN3CCO[C@]4(CCc5ccccc54)C3)ccc21 337995224 LHSFNHFJWIWJNQ-HXUWFJFHSA-N 334.423 2.642 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2csc(Br)c2)C1 237528107 RXIJLWLIWVRWPX-YWVDXFKGSA-N 344.230 2.847 0 50 EFAA C[C@@]1(N)CCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 262912979 FXCMMXJPOXCMAR-FXAWDEMLSA-N 338.455 2.665 0 50 EFAA O=C(CNC(=O)c1ccc(C(=O)O)cc1)Nc1cccc2ccccc12 238007797 RMDDNWFYXKEZNX-UHFFFAOYSA-N 348.358 2.907 0 50 EFAA FC(F)(F)c1ccc2c(N3CCN4CCOC[C@@H]4C3)nccc2c1 450441000 PEPABHGRIPSHLK-AWEZNQCLSA-N 337.345 2.774 0 50 EFAA CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 132188519 UQFXZVNRIHNPDA-ZDUSSCGKSA-N 332.469 2.891 0 50 EFAA CCc1cccc(OC2CN(C(=O)CCN3C[C@@H]4CC[C@H]3C4)C2)c1 82097662 JESSJNUHNXNCTQ-SJORKVTESA-N 328.456 2.713 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2OC)C1 176381604 RURWHMHDFJLFRP-AQKDONEWSA-N 338.473 2.574 0 50 EFAA Cc1cccc(OCC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c1C 221298974 IHJLKQXLCWUTPE-MRXNPFEDSA-N 333.428 2.527 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H](C)n2ccnc2C)c2cccnc12 426727551 VXKGEUQDOVRWHN-CYBMUJFWSA-N 338.411 2.968 0 50 EFAA COc1ccccc1CN(CCO)C(=O)N[C@@H](C)c1ccc(C)nc1 426502896 LMCWSJIFKKOMOZ-HNNXBMFYSA-N 343.427 2.664 0 50 EFAA Cc1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1C 426535949 UUTKTJYCYXHUJC-GOSISDBHSA-N 333.476 2.556 0 50 EFAA CNc1ncc(CN(C)C(=O)c2cc(-c3ccc(C)s3)n[nH]2)cn1 91876543 FADFFSUSLKTPQG-UHFFFAOYSA-N 342.428 2.551 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(Cc2ccc(C(C)=O)cc2)C1 92078841 LOGHPIJYBVOQIL-LJQANCHMSA-N 333.428 2.983 0 50 EFAA COCc1nc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cs1 292843948 BIZFYPZZLMPCOQ-LBPRGKRZSA-N 349.431 2.685 0 50 EFAA c1ccc(-c2nnc3n2CCN(Cc2nccn2C2CC2)CC3)cc1 244774075 PNIJHZGCGJYTCA-UHFFFAOYSA-N 334.427 2.535 0 50 EFAA c1ncn(C2CCCCC2)c1CN1CCC(N2CCOCC2)CC1 244872984 WHYIDGKTSNLWDD-UHFFFAOYSA-N 332.492 2.685 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244817194 SVWNXCQHEVUVIG-FTLABTOESA-N 341.436 2.795 0 50 EFAA Cc1cc(S(=O)(=O)N[C@H]2CCOc3ccc(F)cc32)c(C)o1 183173709 JSPPEWMNJLUJKR-ZDUSSCGKSA-N 325.361 2.838 0 50 EFAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cc(-c2ccsc2)[nH]n1 828211952 ZVPCDVWDKZKFED-SNVBAGLBSA-N 330.417 2.802 0 50 EFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CCC2 828166625 LRPJCAWFPRQGLF-AWEZNQCLSA-N 326.440 2.696 0 50 EFAA C[C@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1 670456613 IDMGBRGAVVPSTA-NSHDSACASA-N 331.326 2.955 0 50 EFAA N[C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CCC[C@@H]2CC2CCCC2)nn1 864803197 WTSCMKFBEFMQDA-NUJGCVRESA-N 345.491 2.905 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCOc2ccccc21 268954400 WCDXBYCFJWMLDG-HNKHHVNMSA-N 329.396 2.797 0 50 EFAA COC1(c2nccn2C)CCN(c2ccc(C(F)(F)F)cn2)CC1 952993495 YMCSEJVYXDKSQW-UHFFFAOYSA-N 340.349 2.976 0 50 EFAA CN(C)[C@H]1CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 952963794 KTIXLFVQCACJPF-LBPRGKRZSA-N 328.913 2.923 0 50 EFAA O=C(Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc2nccnc2c1 164122101 BEDGOVQPOPSFGU-UHFFFAOYSA-N 332.363 2.696 0 50 EFAA O=C(N[C@@H]1CC=CCC1)N1CCc2nnc(-c3ccncc3)cc2C1 952892575 IEPNXQVEUAESRQ-MRXNPFEDSA-N 335.411 2.715 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)Cc2ccccc2F)C3)o1 952851033 CMYLBHLMIAOJGJ-LIRRHRJNSA-N 343.402 2.894 0 50 EFAA CC(C)[C@@H]1C[C@H](CC(=O)NCc2cc(O)nc(O)n2)c2ccccc21 1875278701 WRQGBBAAQBRUNO-WBMJQRKESA-N 341.411 2.821 0 50 EFAA C[C@H]1C[C@@H](NC(=O)N=c2cc(-c3cccs3)o[nH]2)c2nccn21 1875296576 DQKHYJXUDSYWQK-VHSXEESVSA-N 329.385 2.849 0 50 EFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)N=S(C)(C)=O 1875289381 NRQMVDKJDYUXGB-LLVKDONJSA-N 345.415 2.713 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NC1CC2(CCC(F)(F)CC2)C1 1875399074 NXBFXKANJNFNRU-FVQBIDKESA-N 339.430 2.970 0 50 EFAA O=C(NC[C@@H](CO)c1ccc(F)cc1)c1snc2ccccc12 1875309400 NZKPCJWEDNQMAH-LBPRGKRZSA-N 330.384 2.941 0 50 EFAA CC1=C(C(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)OCCO1 952989133 QCIPBHHXASHQGV-QKYXPGDISA-N 343.423 2.986 0 50 EFAA C[C@H]1COCCN1C1CCN(c2ccncc2C(F)(F)F)CC1 882539597 BCZDSAMFFMFWGX-LBPRGKRZSA-N 329.366 2.790 0 50 EFAA Cn1nc(CNC(=O)c2c(F)cccc2-n2cccn2)cc1C1CC1 885902732 YZIVHLINKYHEMP-UHFFFAOYSA-N 339.374 2.552 0 50 EFAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CCCC2(CC1)CC2 1775961254 KJELKTGXZDPOCP-GJZGRUSLSA-N 331.382 2.504 0 50 EFAA C[C@@H](OC[C@H]1CCCO1)c1nc(-c2[nH]nnc2-c2ccccc2)no1 1775987675 QZOGTGYIMOQUBE-DGCLKSJQSA-N 341.371 2.778 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccc(OC(F)F)cc1 1775986504 ZBJPYNQHHGIYLN-LBPRGKRZSA-N 339.346 2.699 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)c1 273226719 DLKRNZBVQUCOQE-MXDFIXEMSA-N 342.439 2.969 0 50 EFAA CCC[C@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C[C@@H]1C(=O)O 1565506270 ZZDTVVSADSXGFI-GJZGRUSLSA-N 341.411 2.958 0 50 EFAA Cc1cc(NC(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)no1 275231449 DEVJKSXJSMHQFS-ZDUSSCGKSA-N 349.391 2.779 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@H](CN2CCOCC2)C1 185536296 USUNGYCUYCLELT-MRXNPFEDSA-N 342.439 2.926 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2nccc3ccccc23)CCO1 276439419 XCFGOLSWMITRFI-WMLDXEAASA-N 336.395 2.618 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N[C@@H](C)CCS(C)(=O)=O)s2)o1 170593734 FTQOPIOMZCPKOV-JTQLQIEISA-N 341.454 2.870 0 50 EFAA COC(=O)C[C@](C)(NC(=O)c1cnc(C(C)C)s1)c1ccncc1 170600777 OXLFZZMTGYIHMK-KRWDZBQOSA-N 347.440 2.870 0 50 EFAA O=C(NCc1cc[nH]n1)c1cc(-c2ccncc2)nc2ccccc12 170620825 VOENXYMEJAADIC-UHFFFAOYSA-N 329.363 2.950 0 50 EFAA COc1cc(S(=O)(=O)NCc2ccc(N)cc2Cl)ccc1F 170605012 MRMYQFJNIZDAIQ-UHFFFAOYSA-N 344.795 2.548 0 50 EFAA O=C(NCCc1ccc(Cl)s1)N1CC[C@H](N2CCCC2)C1 171044871 JRIRFCLFLYMNJI-LBPRGKRZSA-N 327.881 2.824 0 50 EFAA Cc1noc([C@H]2COCCN2C(=O)c2c(C)oc3ccccc23)n1 186621586 YESADAVWGCWFTL-CYBMUJFWSA-N 327.340 2.646 0 50 EFAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCC=Cc2ccccc21 188241354 PGSMHWUSJNAMBW-HOTGVXAUSA-N 338.407 2.612 0 50 EFAA Cc1ccc2cccc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)c2n1 188381140 LNMKAXNIZBNOPQ-CQSZACIVSA-N 344.436 2.697 0 50 EFAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cncc(C)c2)c1 188620305 OVUYHQTWHNPYSV-RDJZCZTQSA-N 326.396 2.827 0 50 EFAA CCCN1CCCN(C(=O)NCc2ccc(C(F)F)cc2)CC1=O 190243810 SKPMUTMMWSXSGQ-UHFFFAOYSA-N 339.386 2.778 0 50 EFAA CCCc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H](C)[C@H](CO)C3)c12 191850179 XTHZQAJYAJRBMR-YPMHNXCESA-N 343.427 2.753 0 50 EFAA CCc1nnc(N[C@H]2CCN(c3ccccc3OC)C2)nc1CC 192145453 ISKZPHKWSUECCA-ZDUSSCGKSA-N 327.432 2.696 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c(F)c1 774039381 XJTXMDOBJFCECE-UHFFFAOYSA-N 342.326 2.668 0 50 EFAA CCc1nc(CN(C)[C@H](C(=O)O)c2cc(Cl)ccc2OC)no1 1506410406 TYDCKWDWYFBCRD-AWEZNQCLSA-N 339.779 2.552 0 50 EFAA NCCCCCNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772808263 KMYUKSHUMFNUPZ-CQSZACIVSA-N 344.484 2.555 0 50 EFAA CN(Cc1ccccc1)C(=O)COc1cc(=O)n(C)c2ccccc12 5066245 NVMOMZZLMDRALU-UHFFFAOYSA-N 336.391 2.576 0 50 EFAA COc1cccc(CCc2nnc(CCC(=O)NC(C)(C)C)o2)c1 11955130 TYJIJDWZUGECRA-UHFFFAOYSA-N 331.416 2.711 0 50 EFAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(CC2CC2)CC1 12386343 WVHKUCQBMQFNCO-UHFFFAOYSA-N 344.455 2.841 0 50 EFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccccc2F)cc1 12405970 VSARIVHZBXGWCR-OAHLLOKOSA-N 342.370 2.987 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cnn(C)c2)C1 15064134 QABXXTNAPXVBCE-HXUWFJFHSA-N 341.455 2.808 0 50 EFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](NC3CCCCCC3)C2=O)cc1 19022525 BNJCTVOXQGPBNU-KRWDZBQOSA-N 343.427 2.589 0 50 EFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)N1CCC2(CC1)CC2 1857528791 YRTWUCSHXPNAHR-RIFZZMRRSA-N 343.471 2.600 0 50 EFAA Cc1nc(CNC(=O)c2nc3ccccn3c2C)nc2c1CCCC2 1857722385 GJZAXKFUNNYFAP-UHFFFAOYSA-N 335.411 2.550 0 50 EFAA Fc1ccc([C@H](N[C@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 225473033 WKUXYLDTZXOUIK-KBPBESRZSA-N 342.340 2.864 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1OC 225680265 KMKVTWVRLSWTCH-GOEBONIOSA-N 345.370 2.791 0 50 EFAA O=C(c1ccsc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 119359743 ZDOPHLBTZYBZTB-CQSZACIVSA-N 327.471 2.710 0 50 EFAA Cc1ncc(C(=O)N2CCC(c3ccccc3CO)CC2)c(C)n1 328587827 JLQGIOATAXNMDT-UHFFFAOYSA-N 325.412 2.606 0 50 EFAA Cc1cnn([C@H]2CCN(S(=O)(=O)c3sccc3Cl)C2)c1 333689918 MJVJWOUOSHIPMK-JTQLQIEISA-N 331.850 2.542 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 238069416 IXMKGPHEYRFIER-AWEZNQCLSA-N 328.368 2.597 0 50 EFAA C[C@H](O)C[C@H]1CCCCCN1C(=O)COc1ccc(F)cc1F 241846595 SMDDNHTYCHBWFO-GXTWGEPZSA-N 327.371 2.886 0 50 EFAA CC(=O)N1CC[C@H](NC(=O)CCn2cc(Cl)cn2)c2ccccc21 339852824 BIBVEYTZMJCEQP-HNNXBMFYSA-N 346.818 2.541 0 50 EFAA CC[C@@H](NC(=O)c1cc(C)n(Cc2ccncc2)c1C)C(C)(C)O 358592320 ZLAKNZYPURXTDL-QGZVFWFLSA-N 329.444 2.828 0 50 EFAA Cc1cc(C)nc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c1 155205498 QNUKOPXQVIEVGK-MRXNPFEDSA-N 338.411 2.727 0 50 EFAA O=C(Nc1ccc(-n2cccn2)nc1)N1CCCC2(CCOCC2)C1 266320194 AQNWGKJKRGKAMA-UHFFFAOYSA-N 341.415 2.692 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccnn1C(F)F 832194350 QQWNDCOZTKXGMM-UHFFFAOYSA-N 335.354 2.838 0 50 EFAA O=C(c1csc(C2CCCCC2)c1)N1CCO[C@@H](c2nn[nH]n2)C1 932282482 JQLYUWULUNEPIA-CYBMUJFWSA-N 347.444 2.523 0 50 EFAA c1ccc(CN2CCO[C@H](CNc3ncc4ccccc4n3)C2)cc1 311670259 JBXYXYNVQMKUOE-GOSISDBHSA-N 334.423 2.943 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC[C@H]1O 2325783850 HQLRCAAZSHYCSI-DLBZAZTESA-N 340.423 2.915 0 50 EFAA CO[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C[C@H]1OC 2325792567 TWJVNQVOKGCMNY-GBEXYDAJSA-N 343.427 2.868 0 50 EFAA CCOc1cccc(NC(=O)c2ccccc2N2CCC(N)CC2)n1 2325796047 OMOLEKPOACGNDF-UHFFFAOYSA-N 340.427 2.660 0 50 EFAA CC(C)(C)c1cc(S(=O)(=O)Nc2cc3cccnc3cn2)on1 2325801526 MBLHYVPIQHPYOM-UHFFFAOYSA-N 332.385 2.716 0 50 EFAA Oc1ccc(N2CCN(c3cc(C4CCCCC4)ncn3)CC2)cn1 2325802487 KJNNLIDFWNXXKP-UHFFFAOYSA-N 339.443 2.952 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 240430 LFUNNQKKBSPAJW-HNNXBMFYSA-N 334.460 2.784 0 50 EFAA COc1ccc(CCNC(=S)Nc2c(C)nn(C)c2C)cc1OC 609999 MOQBUGWCJWQCJR-UHFFFAOYSA-N 348.472 2.583 0 50 EFAA CCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2060819 YDYWFEZAHBTLEL-NSHDSACASA-N 338.477 2.894 0 50 EFAA CCOc1ccccc1NC(=O)C(=O)NCc1ccc(CC)cc1 2993902 IYSLYWPUBRICSR-UHFFFAOYSA-N 326.396 2.903 0 50 EFAA O=C(CNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1 2998117 LIRJYNWOYWNOPD-UHFFFAOYSA-N 332.812 2.827 0 50 EFAA aggregator CCOC(=O)NCCOC(=O)N(O)c1cccc(C(F)(F)F)c1 3149143 BUTUGRQRESYLRA-UHFFFAOYSA-N 336.266 2.784 0 50 EFAA CCC(=O)c1ccc(OC[C@H](O)Cn2nc(C)c(C(C)=O)c2C)cc1 4247841 QZWTWCCXQNBYFR-MRXNPFEDSA-N 344.411 2.735 0 50 EFAA CCc1sc(C(=O)NC2CCN(C)CC2)cc1Br 4271639 SEFDIVJNWDBRMI-UHFFFAOYSA-N 331.279 2.897 0 50 EFAA CCCN1CCC[C@@]2(CCCN2Cc2nc3ncccc3o2)C1=O 2356169057 KBKLLRMQEMAONM-GOSISDBHSA-N 328.416 2.590 0 50 EFAA CCc1nnnn1-c1ccccc1NC(=O)[C@H]1CCOc2ccccc21 136638647 HOVONUATOGMJCR-AWEZNQCLSA-N 349.394 2.730 0 50 EFAA COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)c(OC)c1 6700429 PWKRBBKGDFKAMA-JWAGFEDZSA-N 333.384 2.779 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccncc1OCC(F)(F)F 281037424 DZRXEXYVYPBNJL-CHWSQXEVSA-N 346.349 2.844 0 50 EFAA C[C@H]1CC(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2C1 9935339 CRJNWCGYIXGLJB-CYBMUJFWSA-N 340.402 2.707 0 50 EFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(Cc2nccn2C)C2CC2)c1 55183412 ZOPJFUIVGAJUHW-OAHLLOKOSA-N 327.428 2.995 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N(Cc1ccccn1)C[C@H]1CCCO1 55368845 ZANVYSJJAARIHO-MRXNPFEDSA-N 340.379 2.632 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N[C@@H](CC(C)C)c2ncnn2C)c1 55310439 PJDAAHKGWKBFBD-HNNXBMFYSA-N 343.431 2.681 0 50 EFAA c1ccc(-c2cn(CC3CCN(Cc4nccs4)CC3)nn2)nc1 20785426 JEXKWLBKGXHMGO-UHFFFAOYSA-N 340.456 2.709 0 50 EFAA CNCCCCNC1CCN(c2ccc(-n3ccnc3C)cc2)CC1 63833464 YOGZDYAEXIVCTB-UHFFFAOYSA-N 341.503 2.739 0 50 EFAA CCCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 20595144 HNGHREAGZGYYLZ-UHFFFAOYSA-N 330.259 2.960 0 50 EFAA CN(Cc1ccccc1CN1CCCC1)C(=O)c1c(O)cccc1O 67515557 JLHIYPBWEBEFEN-UHFFFAOYSA-N 340.423 2.966 0 50 EFAA C[C@H](c1ccccc1)n1c(SCC(=O)O)nnc1C1CCOCC1 67739899 SZUURKDUNPRKOU-GFCCVEGCSA-N 347.440 2.958 0 50 EFAA Cc1ccsc1-c1cn([C@H](C(=O)N(C)C)c2ccccc2)nn1 67974366 JOKYVOIVXVHOAW-HNNXBMFYSA-N 326.425 2.993 0 50 EFAA COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc(F)c(C)c2)c1 118507557 MSCKDYBBARGWJU-KRWDZBQOSA-N 333.359 2.615 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)C3(N4CCCC4)CCCC3)C2)n1 65410518 VPDUTGHCILFNBH-QGZVFWFLSA-N 330.476 2.682 0 50 EFAA CCCCOC(=O)N1CCC2(CC1)CN(Cc1ccco1)CCN2C 67741649 XOGXAVPQXNXLGX-UHFFFAOYSA-N 349.475 2.798 0 50 EFAA Cc1cc(C)n2nc(Cc3nc(C4CC4)nn3-c3ccccc3)nc2n1 65375803 AMJIMLNWPYNTBT-UHFFFAOYSA-N 345.410 2.790 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn(-c2ccccc2)c1 252477031 HAPGFZKWVFTQQA-XYPHTWIQSA-N 339.395 2.730 0 50 EFAA CCc1nc(CNC(=O)NCc2nc3cc(C)ccc3n2C)cs1 252507568 WORTYACCZKHHPS-UHFFFAOYSA-N 343.456 2.900 0 50 EFAA C[C@H](c1nc2c3ccccc3ncn2n1)n1cc(Br)cn1 2807880 WFYDBBKXEZRHLR-SECBINFHSA-N 343.188 2.846 0 50 EFAA CCc1noc(C)c1Cn1nc([C@H]2OCC[C@H]2C)n(C(C)C)c1=O 328638592 PFNONPAJMSXUET-ABAIWWIYSA-N 334.420 2.630 0 50 EFAA O=C(CN1CCN(CCCCCF)CC1)Nc1ccccc1F 253416333 CRWVAVPCCUWPJC-UHFFFAOYSA-N 325.403 2.522 0 50 EFAA Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2cscc2C)c1 439057953 PUYGXUGOXQROBD-UHFFFAOYSA-N 327.383 2.570 0 50 EFAA C[C@@H]1Cc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2O1 219713963 WFAZXCDRJFLISB-CYBMUJFWSA-N 334.379 2.521 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2n[nH]nc2c1 216032206 ZSZHIDRPCVGIII-UHFFFAOYSA-N 332.367 2.620 0 50 EFAA CCCN(C)c1ccc(C(=O)N2CCCN(C(=O)CC)CC2)cc1 363126322 GIWUWQVHYUOFDA-UHFFFAOYSA-N 331.460 2.617 0 50 EFAA COCC[C@H](CO)NC(=O)NC1CCC(c2ccc(F)cc2)CC1 240321544 FAGFFGPEVRCKED-BDVYOWHSSA-N 338.423 2.549 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)NCc2ncnn2C(C)(C)C)cs1 282701614 QBUDQSKDUZUDBS-CYBMUJFWSA-N 348.476 2.845 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCNC[C@@H]1c1cccc(F)c1 261709785 DMVQURGYXIETAE-QGZVFWFLSA-N 339.370 2.683 0 50 EFAA C[C@H]1CN(C2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)CCO1 241126124 JJRPFSJJXJGBOB-JXFKEZNVSA-N 342.483 2.818 0 50 EFAA Cc1cc(F)cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1 444772308 VHQNTEPFNWCYAM-UHFFFAOYSA-N 338.386 2.902 0 50 EFAA CCc1ncsc1NC(=O)c1ccccc1S[C@H](C)C(N)=O 241371273 MMBHRLPNNSCHLV-SECBINFHSA-N 335.454 2.924 0 50 EFAA CCOc1c(F)cccc1C(=O)NC[C@]1(O)CCc2ccccc21 159301739 NGHLMGMBEJZXCG-LJQANCHMSA-N 329.371 2.788 0 50 EFAA COc1cccc(CC[C@H]2CCCN(C(=O)CNC(=O)C(C)C)C2)c1 71707745 CORPVXCAKICITH-QGZVFWFLSA-N 346.471 2.639 0 50 EFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cncnc1-c1ccccc1 378520103 RILRTDOXDAUSHR-MRXNPFEDSA-N 349.394 2.771 0 50 EFAA COc1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1O 449420186 IXEMKSLKWBJPND-LPHOPBHVSA-N 331.387 2.701 0 50 EFAA CC(C)[C@H]1CN(Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 71404168 ZBXDHWLGWPQRAO-GOSISDBHSA-N 344.434 2.808 0 50 EFAA CN1CC[C@@](C)(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72448137 DDJRMUGZIPQICQ-HXUWFJFHSA-N 332.488 2.804 0 50 EFAA Cc1cccc([C@H](C(=O)O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 228983165 CVNMKMATQDFEGJ-HUUCEWRRSA-N 334.416 2.720 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCc3cccc(F)c3)CC2=O)cc1 82137594 JZQZXMHLAHLSPS-UHFFFAOYSA-N 340.398 2.942 0 50 EFAA COc1ccc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cc1 222549090 BRSOYFGDQAQRQM-RNQOJCNYSA-N 329.440 2.948 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCCSc3nc[nH]n3)CC2(C)C)cc1 426674165 IVCDMOTZCWBCKQ-QGZVFWFLSA-N 330.457 2.689 0 50 EFAA CC(C)C[C@H](CC(=O)O)NC(=O)N(C)Cc1ccc2c(c1)CN(C)C2 426511914 ACJGNIJGPQGJMS-QGZVFWFLSA-N 347.459 2.663 0 50 EFAA CC(C)n1cc(S(=O)(=O)Nc2cc(Cl)cnc2Cl)cn1 295147256 AZHZPZWPEMORFH-UHFFFAOYSA-N 335.216 2.967 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)CCc3n[nH]c(C)c3C)c2c1 97742751 SPDPZBLYKCAWRG-UHFFFAOYSA-N 340.427 2.808 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95388452 ZOHLRDQGTAZXSR-MRXNPFEDSA-N 341.411 2.929 0 50 EFAA Cn1ccnc1CN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91391372 RQBVZAWPOXORID-IBGZPJMESA-N 341.411 2.520 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)NC)CC2)C1 92077026 BPNKZWNKOSJHSP-LJQANCHMSA-N 343.515 2.714 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95374211 IRPGIXLXKBVPPC-HNNXBMFYSA-N 327.384 2.621 0 50 EFAA COc1cccc(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)c1OC 95384095 JSCSISYYFCRVJE-KRWDZBQOSA-N 346.402 2.762 0 50 EFAA CCc1ncc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)cn1 95387526 LFLFGOSSIGVGOV-UHFFFAOYSA-N 336.395 2.868 0 50 EFAA O=C(Nc1ccccc1OCc1ccccc1)N1C[C@@H]2CNC[C@@H]2C1 97506087 NJSMTNBYDAUXQL-CALCHBBNSA-N 337.423 2.949 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCc3nnc(C)s3)[nH]n2)s1 91679568 ZXCPZHMUUHLNPN-UHFFFAOYSA-N 333.442 2.579 0 50 EFAA CC(C)Cn1cncc1CNC(=O)CN1CC[C@H](c2ccccc2)C1 230513776 OCPIHAIIPAUXOZ-SFHVURJKSA-N 340.471 2.645 0 50 EFAA CCCc1cnc(C)nc1N1CCC(NCc2c(C)n[nH]c2C)CC1 95529205 ONZIGMMXXJCENB-UHFFFAOYSA-N 342.491 2.836 0 50 EFAA O=C(NCCc1noc(-c2ccccc2)n1)[C@H]1COc2ccccc2C1 92066674 NOVLYYHBFASJRV-MRXNPFEDSA-N 349.390 2.647 0 50 EFAA CCN1CCC(CC(=O)N2CCCN(c3ccccc3)CC2)CC1 95375075 CKPISPMDZHFCHQ-UHFFFAOYSA-N 329.488 2.847 0 50 EFAA CN(CC1=Cc2cc(Cl)ccc2OC1)C1CCS(=O)(=O)CC1 93476427 BUDZITGRBAKVOS-UHFFFAOYSA-N 341.860 2.625 0 50 EFAA Cc1c(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)cnn1C 244748508 OIZNPYDAXHCNPS-UHFFFAOYSA-N 348.454 2.508 0 50 EFAA O=C(c1ccoc1)N1CCCN(CC[C@H](O)c2ccccc2)CC1 377582338 DQCPZOHUEYWQOY-SFHVURJKSA-N 328.412 2.551 0 50 EFAA CCn1ccc(C(=O)N[C@@H](C)c2nc3c(s2)CCCC3)cc1=O 299769874 NXWGULYYTFJLMP-NSHDSACASA-N 331.441 2.695 0 50 EFAA COCc1noc(CNC(=O)Nc2ccccc2C(F)(F)F)n1 299796464 QMGDJKUCNUCSIL-UHFFFAOYSA-N 330.266 2.557 0 50 EFAA COc1ccc([C@]2(C(=O)NCCn3cnc(C)c3C)CC2(C)C)cc1 299782833 QORMTFHXBICHPW-FQEVSTJZSA-N 341.455 2.993 0 50 EFAA CCc1c(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)[nH]c2ccccc12 299799581 SXUVHYRHLGHSBO-QKMWGZLOSA-N 342.439 2.875 0 50 EFAA c1coc(CN2CCOC3(CCN(C[C@@H]4CCCCO4)CC3)C2)c1 820408743 XOQHNTGUHVMBHT-KRWDZBQOSA-N 334.460 2.516 0 50 EFAA CC(C)CN(Cc1ccccn1)C(=O)NCCc1noc(C2CC2)n1 584889234 NGYRAMSJGYGKQY-UHFFFAOYSA-N 343.431 2.752 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NCc3c4c(nn3C)CCCC4)C2)o1 952890534 VYOTXYMOACSXGH-KGLIPLIRSA-N 343.475 2.745 0 50 EFAA C[C@H]1CC[C@@]2(CN1C(=O)c1cccn3nncc13)OCc1ccccc12 1875297867 GKXIRDXBLLUXNK-XOBRGWDASA-N 348.406 2.780 0 50 EFAA C[C@@H](NC(=O)c1ncc(C(C)(C)C)o1)c1nc(C(F)(F)F)n[nH]1 1875282887 XADALVCKBUFOFO-ZCFIWIBFSA-N 331.298 2.600 0 50 EFAA COC(=O)c1cc(OC[C@H]2C[N@@]2CC2CC2)cc(C(F)(F)F)c1 1875385154 NJKXYYMBJXQYDB-ZUOKHONESA-N 329.318 2.965 0 50 EFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3ccncc3[C@H]2C)c1 1875303167 ZCDWLZZDCDGNSR-GFCCVEGCSA-N 337.379 2.671 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 952962313 AFDNUKLTWCMMDE-QGZVFWFLSA-N 336.395 2.787 0 50 EFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1CC(CC)=NO1 952861073 CATNSXCSFJQVNC-LBPRGKRZSA-N 337.807 2.973 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1ccc(-c2ccccc2)o1 886726053 DBDCRVLEBKWJNV-INIZCTEOSA-N 326.396 2.981 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccnc(C3CC3)c2)C1 888103098 GNTIEMHQJKWOIL-WBVHZDCISA-N 340.427 2.901 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCOc2ccccc21 268954402 WCDXBYCFJWMLDG-XZDPQHSOSA-N 329.396 2.797 0 50 EFAA CC(C)c1scnc1C(=O)Nc1cc2c(cc1F)CCNC2=O 1775992774 MSBDNBDOYPPDHR-UHFFFAOYSA-N 333.388 2.944 0 50 EFAA COCC1=CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 185611576 UXRLMPOQYFUYEY-INIZCTEOSA-N 349.862 2.907 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3ncccc23)CCO1 275310304 BAGQBVFGIQKULN-ACJLOTCBSA-N 336.395 2.618 0 50 EFAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)Nc2ccsc2)C1 275712320 GPVSKUOGMAMNQE-ZDUSSCGKSA-N 332.429 2.894 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)NCCNC(=O)C2CC2)cc1 170090349 QVOYBMWNMPZAMA-UHFFFAOYSA-N 328.437 2.980 0 50 EFAA O=S1(=O)CC[C@H](N(Cc2sccc2Cl)C[C@H]2CCCO2)C1 278523120 CUOUDXWJZYIMCN-NWDGAFQWSA-N 349.905 2.570 0 50 EFAA Cc1cc(-c2nc(N(C)C)no2)ccc1I 170678487 MFNHYMWUFNUKJM-UHFFFAOYSA-N 329.141 2.716 0 50 EFAA Cc1ccc2cc(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)ccc2n1 279295762 YMPNQGCCYQWPNL-OAHLLOKOSA-N 340.423 2.953 0 50 EFAA CCO[C@@H]1C[C@@H](Nc2cnn(-c3ccncc3)c2)C12CCOCC2 681108376 ARTXRGACCCFDCF-IAGOWNOFSA-N 328.416 2.653 0 50 EFAA COc1ccc(-c2nnc(N3CCC[C@H](N4CCCC4)C3)o2)cc1 641298062 JOOJWTAINYIUNG-HNNXBMFYSA-N 328.416 2.810 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)C/C=C/c2ccc(F)cc2)C1 644120250 UYABWAPBNAJRAY-VNHAASDWSA-N 329.375 2.941 0 50 EFAA Cc1cc(O)nc([C@H](C)N2CCO[C@H](c3ccc(F)cc3F)C2)n1 192797724 KFRCWNTWWAKKOK-NHYWBVRUSA-N 335.354 2.903 0 50 EFAA O=C(NCCc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccccc1 192743829 KKAILBRNJOLXSA-GOSISDBHSA-N 340.398 2.789 0 50 EFAA O=C(Nc1cccc2c1OCC[C@H]2O)c1ncccc1Br 193830808 XGPPAMKBHQQSJL-GFCCVEGCSA-N 349.184 2.912 0 50 EFAA FC(F)(F)c1cccc(-c2nnn(Cc3cc4n(n3)CCCC4)n2)c1 650311418 ZRGOLCRTEDZZEM-UHFFFAOYSA-N 348.332 2.940 0 50 EFAA Cc1n[nH]nc1C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 194369380 JDNLWDUFWCGROW-UHFFFAOYSA-N 333.395 2.980 0 50 EFAA C[C@@](NC(=O)[C@@H]1CCC(=O)c2ccccc21)(C(=O)O)c1ccccc1 663142744 YEOPMWSMCSKHEF-UZLBHIALSA-N 337.375 2.863 0 50 EFAA COc1cc(CC(=O)N2CCCc3c(NC(C)=O)cccc32)ccn1 666890031 CLOVQZCVPIQMBR-UHFFFAOYSA-N 339.395 2.571 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529191463 ZHVDIBHDCYCPPT-ZWKOTPCHSA-N 337.423 2.891 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(-c3cccnc3)cc1)C2 1772702903 AISCWYLJCRINAL-QUCCMNQESA-N 338.407 2.672 0 50 EFAA c1ccc(CC[C@]23CNC[C@H]2CN(Cc2cccc4nonc24)C3)cc1 1772712760 YIUWGTNUQYRSEK-GHTZIAJQSA-N 348.450 2.877 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@H]1CCCO1 11821186 BBZWNFGBVANEQX-MRXNPFEDSA-N 328.368 2.678 0 50 EFAA C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccccn1 12380702 RQEQJQCZCFUTCC-LLVKDONJSA-N 335.201 2.928 0 50 EFAA CCc1ocnc1C(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12581451 PHAOIUMUCJFKKX-OAHLLOKOSA-N 349.394 2.896 0 50 EFAA CCN1CCN(C(=O)CCC2CCN(Cc3ccc(C)o3)CC2)CC1 15076769 DSBANAHPWPOCBF-UHFFFAOYSA-N 347.503 2.744 0 50 EFAA CN1C(=O)COc2ccc(NC(=O)COc3ccccc3Cl)cc21 16689683 AUXHNQSTKLSPKS-UHFFFAOYSA-N 346.770 2.713 0 50 EFAA Cc1cc([C@H]2CCN(C(=O)[C@H](CN)c3ccccc3Cl)C2)on1 1857530332 LRCXVGICKBMTJL-GXTWGEPZSA-N 333.819 2.695 0 50 EFAA O=C(NC[C@@H]1CCc2ccccc21)N1CCC(O)(C(F)(F)F)CC1 332067002 SLBRNUFRBNWJFO-ZDUSSCGKSA-N 342.361 2.815 0 50 EFAA Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)O)c1 237683775 YTIGKQHVNSCEOQ-QZTJIDSGSA-N 339.391 2.878 0 50 EFAA CNC(=O)CCCC(=O)Nc1nnc(-c2ccc(C)cc2C)s1 129877574 XLYYSFGFDJNUAN-UHFFFAOYSA-N 332.429 2.677 0 50 EFAA Cc1cc([C@H](C)NC(=O)N2CCOC[C@H]2C[C@H](C)O)c(C)s1 248718054 LFWSAVMKNXSMDL-VHRBIJSZSA-N 326.462 2.607 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 347930154 UHDRAQSIAXSXHN-HUUCEWRRSA-N 342.361 2.677 0 50 EFAA C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 249517361 HFBHNKZGTGWLRO-ZWKOTPCHSA-N 344.503 2.544 0 50 EFAA Cc1nc(C)n(C2CN(C(=O)Cc3ccccc3C(F)(F)F)C2)n1 670397700 WYBMGIHJQUPDKK-UHFFFAOYSA-N 338.333 2.540 0 50 EFAA O=C(CS[C@@H]1CCCc2ccccc21)NCCCN1CCCC1=O 253416107 GNNFQWRAJMXRBQ-QGZVFWFLSA-N 346.496 2.926 0 50 EFAA CC1=C(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CCCO1 151959826 PLGCUTOPHNUVPJ-HNNXBMFYSA-N 331.347 2.807 0 50 EFAA O=C(Cc1cccc2cccnc12)N1CCC(O)(C(F)(F)F)CC1 157285515 GZNTUHUGUHJEIA-UHFFFAOYSA-N 338.329 2.693 0 50 EFAA O=C(O)CCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 374407137 UBAIHNUYYRIJST-KRWDZBQOSA-N 326.396 2.509 0 50 EFAA CC(C)c1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)no1 163989907 IFFOCUFGPAYQHS-UHFFFAOYSA-N 335.448 2.563 0 50 EFAA Cc1cccc([C@@H](O)CNCCNc2nccc(C(F)(F)F)n2)c1 905133971 NHIWYYPWMFQUOA-ZDUSSCGKSA-N 340.349 2.539 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@H]2CCN(c3ccccc3)C2)cc1 908602035 IRRWEDBGWFSSEU-KRWDZBQOSA-N 338.407 2.570 0 50 EFAA c1ccc(CN2CC[C@@H](NCc3ccc(-n4cncn4)cc3)C2)cc1 65397846 XVMTYNBZIQRRCH-LJQANCHMSA-N 333.439 2.631 0 50 EFAA CC1(C)CN(c2nnc(-c3ccc(O)cc3)s2)C[C@@]2(CCOC2)O1 893635655 XMQCNPBBBXPJMD-QGZVFWFLSA-N 347.440 2.685 0 50 EFAA CCn1c2ccccc2n2c(S(=O)(=O)Cc3ccccc3)nnc12 1057436 SFTMCBPJASQAFF-UHFFFAOYSA-N 340.408 2.678 0 50 EFAA O=S1(=O)CC[C@@H](CNCc2n[nH]c3ccccc23)c2ccccc21 2325760120 XEEFVUOXWCENQR-ZDUSSCGKSA-N 341.436 2.614 0 50 EFAA Cn1ncc2c(NC[C@H](c3ccccc3)C3CCNCC3)ncnc21 2325777218 MUEVDWOSLCFTAN-MRXNPFEDSA-N 336.443 2.559 0 50 EFAA C[C@H]1CCCc2c(C(=O)NCc3ccccc3Cn3cccn3)cnn21 2325792591 WCPYANHNLSSAGW-HNNXBMFYSA-N 349.438 2.955 0 50 EFAA C[C@H]1CCn2c(C(=O)N3C[C@H](CCN)Cc4ccccc43)cnc2C1 2325798800 BBOYBYXHAVXWSA-LSDHHAIUSA-N 338.455 2.633 0 50 EFAA C[C@@H](c1cnccn1)c1nc(C(C)(C)NC(=O)c2ccccc2)no1 2325803429 GLQCJSUHPCXLLH-LBPRGKRZSA-N 337.383 2.677 0 50 EFAA OCc1ccc(Sc2cn(C[C@@H]3CC[C@H](C4CC4)O3)nn2)cc1 887470241 JIZKRGHKTZIAOP-GOEBONIOSA-N 331.441 2.879 0 50 EFAA CCOC(=O)N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 179352 CYGYQTGTCFDWKK-UHFFFAOYSA-N 327.837 2.811 0 50 EFAA c1ccc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1 207679 RGRNCNJQNHRSLD-UHFFFAOYSA-N 336.483 2.868 0 50 EFAA Cc1cc(Br)ccc1OCC(=O)NCc1cccnc1 311534 NEIAMPOVWQAULW-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA Cc1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 318292 FJSCJQYOMQGYJB-UHFFFAOYSA-N 328.387 2.862 0 50 EFAA CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N3CCCN=C3S2)cc1 2728283 BGBVXEDRBCZGAM-AWEZNQCLSA-N 347.440 2.508 0 50 EFAA aggregator COCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 2832514 OTAZUVMZLFZQFV-UHFFFAOYSA-N 325.817 2.932 0 50 EFAA C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1nccs1 4999350 DCTXGMHIXDEQHC-JTQLQIEISA-N 331.426 2.843 0 50 EFAA CCOc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 6702040 PKDSKLDDFRRKKI-OAHLLOKOSA-N 330.428 2.697 0 50 EFAA COc1ccc2nc(NC(=O)C3CCN(C(C)=O)CC3)sc2c1 6742215 XAKPCAWVHIAPLO-UHFFFAOYSA-N 333.413 2.502 0 50 EFAA C[C@@H](CC(=O)N1CCN(C)c2ccccc21)NC(=O)C1CCCCC1 110479969 MANKSEXSIQGKIJ-HNNXBMFYSA-N 343.471 2.945 0 50 EFAA CCC(=O)c1ccc(OCC(=O)NCCCCN2CCCC2)cc1 55197092 OPPZUVVNPNQUHP-UHFFFAOYSA-N 332.444 2.650 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c(C)o1 225550333 DRESCQGCRMLAHT-GJZGRUSLSA-N 339.388 2.532 0 50 EFAA Cc1csc(C2(NC(=O)c3cc(C(N)=O)cs3)CCCC2)n1 112688215 MQZPOLRAXJOMHX-UHFFFAOYSA-N 335.454 2.811 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 247597585 MYBLMUPRFUIAIA-MUIFIZLQSA-N 349.500 2.579 0 50 EFAA O=C(NCc1ccc(-c2ccc(F)cc2)o1)[C@H]1CC(=O)N(C2CC2)C1 29677207 BSRLJIZIYLWQOP-ZDUSSCGKSA-N 342.370 2.713 0 50 EFAA CCC(CC)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 67604651 CBQCIHOTMVCUTC-UHFFFAOYSA-N 332.853 2.654 0 50 EFAA CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O 55167701 LYUWHFZGMMUHJP-AWEZNQCLSA-N 339.395 2.974 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1 347953941 UCVFPWUWFJKWRL-AAEUAGOBSA-N 346.324 2.806 0 50 EFAA Cc1n[nH]c(C)c1CCc1n[nH]c(=O)n1-c1cccc2ccccc12 67604694 SWKYDXBCWJQKMG-UHFFFAOYSA-N 333.395 2.839 0 50 EFAA C[C@H](c1ccccn1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 172393188 LQOYSPMRPJTWBR-LLVKDONJSA-N 325.343 2.895 0 50 EFAA CN(CCC(=O)NC1CCCCC1)C[C@H]1CC(=O)N(C2CCCC2)C1 65508563 WWYZBMGTVQJVEJ-MRXNPFEDSA-N 349.519 2.548 0 50 EFAA O=C(c1cccc2cc[nH]c12)N1CCC(N2CCCCC2=O)CC1 122467172 LNWDXLZETAAKNP-UHFFFAOYSA-N 325.412 2.785 0 50 EFAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 328586915 IAHQYDFSTIXSRK-QGZVFWFLSA-N 346.312 2.947 0 50 EFAA COc1ccc(N[C@@H]2CCCN(C(=O)C(=O)CC(C)C)C2)cc1OC 72172809 DOUCZDBLHPCVKJ-OAHLLOKOSA-N 348.443 2.722 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N2CCC3(CCC(=O)N3)CC2)c1 219465210 MVCGNGPKGHCMOG-UHFFFAOYSA-N 346.496 2.808 0 50 EFAA Cc1ccc(C(C)(C)C(=O)N2CCN(CC3CCOCC3)CC2)cc1 172463248 YWEYEXXOGDBJLP-UHFFFAOYSA-N 344.499 2.843 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(Cl)c(F)c1 219971098 BAQFHCPGMWEKCM-CABCVRRESA-N 327.783 2.793 0 50 EFAA O=S1(=O)CC[C@H](CN2CCC[C@H](c3ccc(F)cc3)CC2)C1 253433158 SSQZZJXAGHYAGU-CABCVRRESA-N 325.449 2.830 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](C)c1cccc(OC)c1)CC2 151334353 FXWASTORUKIUOF-JCGIZDLHSA-N 347.455 2.577 0 50 EFAA CO[C@H]1C[C@@H](N(C)c2cnn(Cc3ccccc3)c(=O)c2Cl)C1 242263374 XYMMZELUXNEFTH-OKILXGFUSA-N 333.819 2.559 0 50 EFAA C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ncc(C3CCOCC3)s2)C1 333821697 HSKPXOMOOYQHDQ-VXGBXAGGSA-N 339.461 2.519 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1 72407394 DQHGEWYTKVCSSP-GOSISDBHSA-N 330.472 2.700 0 50 EFAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 157345941 GQGSWVASGJNFBJ-CEXWTWQISA-N 341.432 2.896 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1 237731372 AJOKWFZDWABREW-OAHLLOKOSA-N 341.411 2.898 0 50 EFAA COc1cc(CN2CCC[C@@H](O)CC2)ccc1OCCN1CCCC1 216484005 HBAOSQRCBMHGAM-GOSISDBHSA-N 348.487 2.517 0 50 EFAA CC1(C)OC(=O)c2c1ccnc2N1CC[C@@](O)(c2ccc(F)cc2)C1 375024818 YATARZQWJSNNEO-IBGZPJMESA-N 342.370 2.724 0 50 EFAA Cc1cccc(Cl)c1C(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 218941727 RECQODLFHSESID-IJGSQOGDSA-N 333.819 2.624 0 50 EFAA O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCOC[C@H]1[C@@H]1CCCO1 376206692 AAZANPLLBDTZKN-KBPBESRZSA-N 347.308 2.865 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1ccccc1C(F)(F)F)CCNC2 72480554 LPMNSAFCGMQELW-UHFFFAOYSA-N 349.356 2.985 0 50 EFAA C[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1 215247371 QRIVVTXHWKNUDH-GFCCVEGCSA-N 332.367 2.635 0 50 EFAA COC[C@H]1CN(C(=O)c2ccc3nc(C)ccc3c2)CC(C)(C)O1 284471457 AIZOSCUFEOJMSE-MRXNPFEDSA-N 328.412 2.809 0 50 EFAA C[C@@H]1CN(c2cncc(-c3ccccc3)n2)C[C@@]2(CCCOC2)O1 241287448 LLIQSSLLJRMDJM-DNVCBOLYSA-N 325.412 2.918 0 50 EFAA O=S(=O)(c1cccs1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 241338665 MCVYCTVNHFCADG-LLVKDONJSA-N 339.442 2.577 0 50 EFAA Cc1noc2ncnc(N3CCC[C@H](Oc4ncccc4F)C3)c12 241439836 NMPNLSGADWYRLV-NSHDSACASA-N 329.335 2.508 0 50 EFAA CCOc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ncn1 241515549 OGFBGAGICXUEKQ-ZBFHGGJFSA-N 327.432 2.593 0 50 EFAA C[C@@H](C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)c1cccnc1 174612880 WOAAFOWGHNEFHE-IEBWSBKVSA-N 337.467 2.866 0 50 EFAA Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc(O)n1 133108062 NLLMKWBISFVJQE-UHFFFAOYSA-N 327.262 2.684 0 50 EFAA O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1C[C@H]2CCCC[C@H]2C1 178272324 YKWMJKVEQIAGKF-GASCZTMLSA-N 339.439 2.894 0 50 EFAA COc1ccc(Br)cc1CNC(=O)CC(C)(C)C(=O)O 263340981 XNDVJLXLPGPJLB-UHFFFAOYSA-N 344.205 2.575 0 50 EFAA c1ccc2nc(N[C@@H]3CCOC[C@H]3OCc3cscn3)cnc2c1 222950018 WVPIWCNEUCKUIU-HZPDHXFCSA-N 342.424 2.873 0 50 EFAA COC(=O)c1sccc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1 426494487 XZFURNRGHJKVKP-ZDUSSCGKSA-N 331.393 2.720 0 50 EFAA NC(=O)c1sccc1-c1cccc(C(=O)NC[C@H]2CCCCO2)c1 426737351 GRJABNPOJNWJKO-CQSZACIVSA-N 344.436 2.813 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC[C@H](OCc2ccccn2)C1 82115903 IMSMMIBKJQFLHV-INIZCTEOSA-N 345.468 2.987 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NCCc3cn[nH]c3)nc2c1 292065279 HTHZCVQIWMPCFH-MRXNPFEDSA-N 338.415 2.684 0 50 EFAA Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239305999 GHGGJNHGLFZHJL-WNRNVDISSA-N 347.418 2.860 0 50 EFAA CO[C@H]1CN2c3cc(F)c(Br)cc3NC(=O)[C@@]2(C)C1 238853919 LRECPTRYJIFBLR-FUXBKTLASA-N 329.169 2.524 0 50 EFAA CSCCc1nc(Cn2nccc2C)n(Cc2ccc(F)cc2)n1 96149692 YCFXPFXOPSOFMB-UHFFFAOYSA-N 345.447 2.924 0 50 EFAA O=C(NCc1cc(-c2ccccn2)no1)[C@H]1COc2ccccc2C1 91655888 FFBPBGNEHTYFNZ-CQSZACIVSA-N 335.363 2.604 0 50 EFAA Cc1nn(C)c2nc(N[C@@H](C)c3nc(-c4ccncc4)no3)sc12 95504970 LTGBJCNGGBKRTM-VIFPVBQESA-N 341.400 2.956 0 50 EFAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccsc3)C2)CC1 23338069 PDDADIFYLPLKGE-MRXNPFEDSA-N 335.517 2.514 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1CC[C@](C)(O)C(C)(C)C1 91873198 ITRBBIKPPBEFBW-IBGZPJMESA-N 329.444 2.744 0 50 EFAA CC[C@H](c1ncnn1C)n1cc(-c2ccc(-c3cc[nH]n3)s2)nn1 91452022 HGPVRSUJHDBDOH-GFCCVEGCSA-N 340.416 2.525 0 50 EFAA CC(=O)O[C@@H]1[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]3[C@@H]4C(=O)[C@@H]5CC[C@@H]6[C@@H]5[C@@H]4[C@@H]([C@H]32)[C@@H]61 253489979 HAOHESPLFDLASP-IHSHLAPCSA-N 326.436 2.927 0 50 EFAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)o1 299749921 MBRRAWDSARYHFQ-GWCFXTLKSA-N 335.429 2.980 0 50 EFAA CC1CCC(N(C)C(=O)CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)CC1 299740817 BXPNVRFUSIONQD-AEFXTWNNSA-N 336.476 2.741 0 50 EFAA COc1ccc(OC)c([C@@H](C)NC(=O)N(C)Cc2ncc(C)[nH]2)c1 534656683 AMFHIDNUIKSXMS-GFCCVEGCSA-N 332.404 2.638 0 50 EFAA COCCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCCN(C)C1 534646613 SHYZMNDRFRDMFY-HNNXBMFYSA-N 339.867 2.592 0 50 EFAA CCc1nccn1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 299766896 UOFQCZLURLEPOU-QGZVFWFLSA-N 344.434 2.538 0 50 EFAA Cc1cc(CC(=O)N2CCC3(CC2)OCCc2ccsc23)on1 575064416 BVJWPSHELUKEPN-UHFFFAOYSA-N 332.425 2.678 0 50 EFAA Cc1nonc1CNC(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 876437183 DBEDNRKYIMBRRC-HZPDHXFCSA-N 344.415 2.766 0 50 EFAA O=C(O)c1cnc([C@@H]2CCCN2Cc2cccc3nsnc23)nc1 1875282797 SKBCOZHBATWVGW-ZDUSSCGKSA-N 341.396 2.517 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)N3CCn4c(nnc4C4CC4)C3)cc2c1 1875280498 PPRFNEPNCXHZAV-UHFFFAOYSA-N 335.411 2.910 0 50 EFAA O=C(c1ncn2c1COc1ccccc1-2)N1CC[C@@H]2[C@@H](CC1)C2(F)F 1875309711 KCIXUYPNMRCOKN-VXGBXAGGSA-N 345.349 2.882 0 50 EFAA CCS[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)[C@@]1(C)CCCS1 1875354151 BLCCOSUPDAUSBQ-XJKCOSOUSA-N 344.546 2.521 0 50 EFAA COC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)c(C)n1 1875311125 NWZGGTDMICJQJH-UHFFFAOYSA-N 339.273 2.843 0 50 EFAA CC[C@@H](C(=O)Nc1ccccc1NC(=O)CN(C)C)n1cccc1 952967346 JJPRIHHLUCMNCA-INIZCTEOSA-N 328.416 2.578 0 50 EFAA CN1CCC[C@H]1C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 952979432 YIQFARJTCMECAG-SFHVURJKSA-N 327.403 2.844 0 50 EFAA CC(=O)NCc1cc(O[C@H]2CCN(C[C@H]3CC=CCC3)C2)ccn1 886063043 NJEROLORNDURBH-LPHOPBHVSA-N 329.444 2.527 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCc2nc(C)ccc2O)cn1 886079925 MZDRANIKCPLMPX-KBXCAEBGSA-N 330.432 2.570 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)CCc2cccc(F)c2F)nn1 888078688 LVOACHZNLXVXKV-CQSZACIVSA-N 332.354 2.633 0 50 EFAA O[C@@]1(CCNc2nc3cc(Br)ccc3o2)CCCOC1 894409907 UQNVNXUBXYULDL-CQSZACIVSA-N 341.205 2.934 0 50 EFAA Cn1cc(Br)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1=O 1361975265 KILIYFAQQYVSFK-LPEHRKFASA-N 325.206 2.523 0 50 EFAA C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1nccs1 1363723733 ASLPUKBOAAHHRD-LBPRGKRZSA-N 337.470 2.880 0 50 EFAA Cc1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c2cnn(C)c2n1 408223140 SPJVBMIOVDNLKK-HXPMCKFVSA-N 344.459 2.584 0 50 EFAA Cc1ccnc(O)c1C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 305872079 OZDIQXOHMSYSAU-HOTGVXAUSA-N 344.386 2.963 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)o1 275492753 WGTKJPCDSKWXPI-GFCCVEGCSA-N 347.440 2.957 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc([C@H]4C[C@@H]4C)o3)C2)n1 275711255 YHECAYBPQDWBKT-LZWOXQAQSA-N 342.443 2.796 0 50 EFAA Cc1ccccc1[C@H](C)NC(=O)Cn1nc(C)c2ccccc2c1=O 170094806 CACHOPGETNFDFN-AWEZNQCLSA-N 335.407 2.891 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)Cc1cccc(F)c1 170647989 DYLDUEZKUUQSHB-LLVKDONJSA-N 334.372 2.503 0 50 EFAA CC(=O)Nc1ccncc1NS(=O)(=O)c1cccc(C(C)C)c1 170609096 CIEKOMHIGGMYNZ-UHFFFAOYSA-N 333.413 2.964 0 50 EFAA CCc1cc(=O)[nH]c(S[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 188124521 KSHPFAJUXCUUCC-CYBMUJFWSA-N 349.843 2.883 0 50 EFAA CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cc2c(=O)[nH]cnc2cn1 188789972 VZDHVIRDOHGKGW-KRWDZBQOSA-N 348.406 2.762 0 50 EFAA CC(C)(C)N1CCC(NC(=O)c2ncccc2Br)CC1 194878845 MKISHYFDUHTTQW-UHFFFAOYSA-N 340.265 2.837 0 50 EFAA Cc1nc([C@@H]2CN(c3ncnc4ccc(C(C)C)cc34)CCO2)n[nH]1 663699951 MGFYRWIEVLMSCW-INIZCTEOSA-N 338.415 2.758 0 50 EFAA Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704337056 RXURJVXBUGSLOI-HZPDHXFCSA-N 343.876 2.964 0 50 EFAA Cc1cc(C[C@H]2CN(Cc3c(Cl)cncc3Cl)C[C@@H]2O)on1 1616071310 ISWIYZXHUJZACR-BONVTDFDSA-N 342.226 2.720 0 50 EFAA O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 5557912 PJBZQKAURFTAON-UHFFFAOYSA-N 336.457 2.534 0 50 EFAA Cc1n[nH]c(CCC(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)c1C 12316401 PWSXPZNQEUEIKN-QGZVFWFLSA-N 345.418 2.568 0 50 EFAA Cc1cc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)[nH]n1 12433388 QYUIQXOVNHMNFD-GOSISDBHSA-N 335.398 2.814 0 50 EFAA CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)[nH]c1=O 13464696 VTDTUEKOXVDUMG-UHFFFAOYSA-N 344.411 2.562 0 50 EFAA Cc1c(C(=O)N2CCOC23CCN(C)CC3)oc2ccc(F)cc12 13729035 ANXXTMXUXOMMDN-UHFFFAOYSA-N 332.375 2.775 0 50 EFAA Cc1nn(C)c2c1[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)CCC2 1857670268 DXMOXDBRRWQHHT-LLVKDONJSA-N 338.333 2.950 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2C[C@@H](O)[C@H](CC(=O)O)C2)cc1 1857728412 AGJJEWXGFQSJKV-CRAIPNDOSA-N 347.455 2.714 0 50 EFAA OC[C@H]1[C@H]2CN(Cc3ccccc3-c3ccco3)C[C@]23CC[C@H]1O3 1857738378 FKZHWZJHMMZENQ-ONCXSQPRSA-N 325.408 2.918 0 50 EFAA CON(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2526317 QJSOEMRUQKOCCR-HNNXBMFYSA-N 347.415 2.624 0 50 EFAA in-vitro COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 4385071 FZUQBYHJGYTYHR-LBPRGKRZSA-N 327.336 2.925 0 50 EFAA Cc1ncc(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 332826297 KPBBQIVUOKHPGT-RDJZCZTQSA-N 348.397 2.950 0 50 EFAA CC1(C)CN(C(=O)c2ccnn2CC(F)F)CC2(CCCC2)O1 242273584 YEDDDHYFFGIZQT-UHFFFAOYSA-N 327.375 2.712 0 50 EFAA 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2.607 0 50 EFAA Cc1ccnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95530936 UTIMRYIUDAFTND-CQSZACIVSA-N 340.456 2.870 0 50 EFAA CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)on1 91914798 WWPZGBKPQAPVEW-QGZVFWFLSA-N 329.400 2.779 0 50 EFAA Cc1ccccc1[C@H](CC(=O)NCc1n[nH]c(N)n1)c1ccccc1 95510301 IKRCLQIDLMRWHB-MRXNPFEDSA-N 335.411 2.534 0 50 EFAA CC(C)CN(Cc1ccccn1)C(=O)c1ccccc1-c1nnn[nH]1 97775861 NLTJWKLDTKUBOU-UHFFFAOYSA-N 336.399 2.560 0 50 EFAA COCCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)O)s1 97360121 DVZHLCNCESBUMA-UHFFFAOYSA-N 337.372 2.874 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2cnn3c(C)cc(C)nc23)c1 97117044 LXPAPOHBENVZFG-KRWDZBQOSA-N 336.395 2.942 0 50 EFAA COCCc1noc([C@@H]2CCCN(Cc3coc(C(C)C)n3)C2)n1 97757807 HPSCEKXRZKHPRG-CYBMUJFWSA-N 334.420 2.750 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3C(=O)O)c2)cn1 237794745 LCXBTXWHPAXBKT-QGZVFWFLSA-N 340.379 2.658 0 50 EFAA NC(=O)c1cc2c(nc1N1CC[C@H](c3ccccc3F)C1)CCC2 95523316 OVFWSSUVAKAYIT-ZDUSSCGKSA-N 325.387 2.802 0 50 EFAA CC[C@@H](NC(=O)Cn1nc(C)cc1N)C12CC3CC(CC(C3)C1)C2 244633452 GDGDVJMOFMAQBO-LZUXJJCOSA-N 330.476 2.885 0 50 EFAA CC(C)c1nccc(C(=O)N(C)Cc2ccc(CN(C)C)cc2)n1 243893834 AURJZWDQYBSOML-UHFFFAOYSA-N 326.444 2.934 0 50 EFAA CC(C)c1nc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)no1 183519512 DUQXGSLTKJMYLF-CQSZACIVSA-N 334.807 2.520 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)CCN2c3ccccc3CC[C@H]2C)C1 299740376 ZAMQUXARLLLPGU-RYRKJORJSA-N 329.488 2.804 0 50 EFAA CC(=O)NC[C@@H]1CCC2(CCN(Cc3cc4ccccc4[nH]3)CC2)O1 299755720 CCBWLKNCHAWJTH-SFHVURJKSA-N 341.455 2.818 0 50 EFAA COc1ccc(C)c(NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 299767966 GVZJBIZEPKRLJC-QGZVFWFLSA-N 347.459 2.769 0 50 EFAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cccc2ncccc12 828176577 VFHVMKHPVITGJT-UHFFFAOYSA-N 332.323 2.793 0 50 EFAA Cc1ccn(CC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)n1 584892284 VMNDJYIKDMXZRV-IBGZPJMESA-N 340.471 2.925 0 50 EFAA CC(C)N1CCC[C@@H]1CNC(=O)N(C)Cc1n[nH]c2c1CCCCC2 584898327 SKLLYVNHXJBMKB-OAHLLOKOSA-N 347.507 2.693 0 50 EFAA CC[C@H](Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F 670461985 FEKDCCGLVSJGNZ-LLVKDONJSA-N 347.362 2.659 0 50 EFAA Oc1nc(=NCC2(c3cccc(Cl)c3)CCC2)nc2[nH][nH]cc1-2 866173153 KCJAHYBISCGILJ-UHFFFAOYSA-N 329.791 2.619 0 50 EFAA O=C(O[C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1c(Cl)n[nH]c1C1CC1 869905152 JZSUEMFNVVLKKR-GMTAPVOTSA-N 337.807 2.545 0 50 EFAA O=C(Nc1cccc(-c2noc(CC3CCNCC3)n2)c1)C1CC1 1875261682 PSQUTACUTUOYRT-UHFFFAOYSA-N 326.400 2.627 0 50 EFAA COCCOCCCSCc1cc(C(=O)OC)ccc1OC 1875290901 HSMOFMODSKTDSG-UHFFFAOYSA-N 328.430 2.768 0 50 EFAA O=C(NC1CC(F)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875274876 WXIOORRPFXNNDT-UHFFFAOYSA-N 345.340 2.934 0 50 EFAA Cc1ccccc1CNC(=O)N1CCC[C@]12CCC[S@@](=N)(=O)C2 1875393262 KDBKLWZNYSLNMR-UZUQRXQVSA-N 335.473 2.880 0 50 EFAA O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1C2CCN1CC2 1875328750 LBGZNTSJINEHAA-AWEZNQCLSA-N 333.775 2.527 0 50 EFAA Cc1noc(CN2C[C@H]3C[C@H](c4ccccc4)CC[C@@]3(C(=O)O)C2)n1 1076000902 HWADQSXRJIVHSA-GPMSIDNRSA-N 341.411 2.849 0 50 EFAA NC1(C(=O)N2CCC[C@@]3(CCCCc4ccccc43)C2)CCOCC1 888102234 CKACOIVFXHETNL-FQEVSTJZSA-N 342.483 2.781 0 50 EFAA Cc1ncc2c(n1)CC[C@@H](NC(=O)N(Cc1ccoc1)C1CC1)C2 891770917 VBIYKTSLXHRPBZ-OAHLLOKOSA-N 326.400 2.610 0 50 EFAA CN(Cc1ccns1)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 894069744 LNGCWFKPPUOXKT-MRXNPFEDSA-N 339.461 2.749 0 50 EFAA O=C(Cc1ccccc1Cl)N1CCN(CCc2cncs2)CC1 411359831 YHJYSUMRNJPADF-UHFFFAOYSA-N 349.887 2.726 0 50 EFAA COc1ccccc1[C@@H](C)NC(=O)c1cccn1C1CCNCC1 169974189 JYSVJIQOALLTTJ-CQSZACIVSA-N 327.428 2.912 0 50 EFAA Cc1cc(CN[C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)on1 170084945 LAJAOLFICCEKMI-ZIAGYGMSSA-N 339.395 2.680 0 50 EFAA O=C(NCc1cc(=O)[nH]c2ccccc12)c1c(F)ccc(F)c1F 170599125 MTGIUBOBLOHLLD-UHFFFAOYSA-N 332.281 2.875 0 50 EFAA Cc1noc(-c2ccccc2C(=O)N2C[C@@H](C)Oc3ncccc32)n1 170608849 CGWXUGUHKUQQED-LLVKDONJSA-N 336.351 2.868 0 50 EFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cccnc3C)CC2)cc1 170980729 ZCTJTDDYWDFITG-UHFFFAOYSA-N 337.423 2.733 0 50 EFAA COc1cc(C)c(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1F 186787539 LPFGDUHDHJTOMO-ZDUSSCGKSA-N 344.390 2.938 0 50 EFAA CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CCO1 188206856 GKFRNJLPSIRFAG-KSSFIOAISA-N 343.431 2.539 0 50 EFAA Cc1ccc(F)c(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 648578780 VJYRQAZGCKLUPR-MRXNPFEDSA-N 340.398 2.913 0 50 EFAA COCCCn1cnnc1CNc1ncc(C(F)(F)F)cc1Cl 1506397106 PWSMNIXXUQERNZ-UHFFFAOYSA-N 349.744 2.994 0 50 EFAA Cn1nc2c(c1NC(=O)c1cn3cc(Cl)ccc3n1)CSC2 1529192541 XCNQVMRZBKSKCE-UHFFFAOYSA-N 333.804 2.720 0 50 EFAA CCN(C)c1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ncn1 1704338554 UWTZMRQTUWGQTC-GFCCVEGCSA-N 334.445 2.509 0 50 EFAA CC(C)N1CCCn2nc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2C1 210412488 QYIXGHBEFJYLOD-MSOLQXFVSA-N 338.455 2.783 0 50 EFAA O=C(O)CCCN1CCO[C@H](c2ccccc2Br)C1 116390189 NWDQNSMSIKIFQJ-ZDUSSCGKSA-N 328.206 2.687 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(c1nc(-c3ccc(F)cc3)cs1)C2 1772701472 MUNPASOKEXQSJZ-PXAZEXFGSA-N 348.399 2.877 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1 11840163 GQYZXBVHOZFTNC-KRWDZBQOSA-N 342.443 2.666 0 50 EFAA CN(Cc1ccsc1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 11936867 AMIPEVMFPTZMAG-OAHLLOKOSA-N 343.452 2.540 0 50 EFAA O=C(CC1=CCCCC1)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12464404 OZSFNUGVNXBIPF-SFHVURJKSA-N 326.440 2.837 0 50 EFAA Cc1ccc(CNc2ccc(F)c(N3CCCS3(=O)=O)c2)c(C)n1 1857527844 DMDVNTAORZVSTR-UHFFFAOYSA-N 349.431 2.990 0 50 EFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3CCC(C)(C)O)cc2c1 1857675575 DYYQRVMRGQIDCH-UHFFFAOYSA-N 341.411 2.951 0 50 EFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)n1 408030720 HOKSGRFEOGCFHF-LLVKDONJSA-N 341.820 2.518 0 50 EFAA Cc1ccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)nn1 414406200 JQPXVUIUNBWOTA-MRXNPFEDSA-N 335.354 2.960 0 50 EFAA O=c1cc(CN2CCOCC3(CC3)C2)c2cc(Cl)c(O)cc2o1 328587976 KUAHIBXAXPTNPG-UHFFFAOYSA-N 335.787 2.764 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2CCCc3sccc32)C1 328608824 BJOIJFNXCKQXRZ-FPMFFAJLSA-N 347.440 2.848 0 50 EFAA CCc1[nH]nc(C(=O)NCCC[C@H]2CCCCO2)c1Br 330969794 SVWLDGKOAIZRKY-SNVBAGLBSA-N 344.253 2.814 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCc3cccc(C(=O)O)c3C2)n1 649257903 AQVQFIPSVOOVFG-CQSZACIVSA-N 341.411 2.734 0 50 EFAA CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1C 134444502 YPUNZISTDBXNCT-UHFFFAOYSA-N 344.396 2.631 0 50 EFAA OC[C@@]1(CNCc2ccc(N3CCCC3)nc2)C[C@H]1c1ccccc1 353226247 NGLBJNFFGGTXRQ-FPOVZHCZSA-N 337.467 2.938 0 50 EFAA COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 363272370 CITPDEKXRHKZFI-OAHLLOKOSA-N 346.377 2.911 0 50 EFAA C[C@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1 155828266 WMWWEMMIWBCGNZ-NSHDSACASA-N 329.425 2.537 0 50 EFAA CC(C)[C@@H](CO)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 156008910 NSJBBBWEIQBMQH-ZYHUDNBSSA-N 340.292 2.884 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 156242398 URWCFBMVASRWGG-MNOVXSKESA-N 331.243 2.958 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)[nH]c2c1C(=O)CCC2 264985695 AHAFQPPGMXORTP-AWEZNQCLSA-N 326.400 2.933 0 50 EFAA CCc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1CC 162924519 BPSIUJIJKKQSRU-MRXNPFEDSA-N 348.472 2.525 0 50 EFAA Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3CCC(=O)O)cccc2c1 392688552 XCJZYVMMSVCZIS-CQSZACIVSA-N 348.424 2.561 0 50 EFAA CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@H](C(=O)O)[C@H](C)C1 900965994 QZRHDWGQTVLJOM-SCZZXKLOSA-N 330.306 2.850 0 50 EFAA C[C@@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)C[C@H]1C(=O)O 900963722 AFGBKLSFJCDYGM-XHKSWWFASA-N 336.335 2.769 0 50 EFAA CCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1 2500709 WQSQNXBIBZGDGI-UHFFFAOYSA-N 341.487 2.788 0 50 EFAA COCCn1cc(NC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cn1 2325751562 LTUGIBFNMFWXHA-ZIAGYGMSSA-N 338.452 2.633 0 50 EFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N1CCCOc1ccncc1 2325773246 ALOCCSKJHOSXHQ-INIZCTEOSA-N 331.416 2.741 0 50 EFAA O=C(O)C1(C(=O)Nc2ccc(Cl)c(C(F)F)c2)CCNCC1 2325791099 SKPMVAWYFLYMCH-UHFFFAOYSA-N 332.734 2.671 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)C2=C(c3ccccc3)CCC2)cc1 2325842771 IATKWDHQDRJHAT-UHFFFAOYSA-N 342.420 2.910 0 50 EFAA CCc1c[nH]c2ncnc(N3CCO[C@@H](c4nc(C)cs4)C3)c12 928996496 UQUASHPUYWJGLE-GFCCVEGCSA-N 329.429 2.863 0 50 EFAA COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)(C)O)ccc12 35527 FGANMDNHTVJAHL-ZDUSSCGKSA-N 347.367 2.509 0 50 EFAA biogenic,in-vitro O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 266661 SQDDUZPJCQWOJX-UHFFFAOYSA-N 330.334 2.563 0 50 EFAA Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2C)n1 313613 PWFDJLFPQNZBQH-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1 408053 WVUNMOMYPPIEIP-UHFFFAOYSA-N 343.335 2.521 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 617041 WCFAAADEPNISGQ-UHFFFAOYSA-N 335.381 2.657 0 50 EFAA CCCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1OC 2057962 YEWDDXJLIROSLG-INIZCTEOSA-N 348.399 2.627 0 50 EFAA COCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2454562 GAGNNYWHKIBVEU-CSODTCANSA-N 333.387 2.525 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)NCCCc1nc2ccccc2s1 2356139161 CVHUNJRNVXHAKQ-CQSZACIVSA-N 337.514 2.814 0 50 EFAA O=C1CC[C@H](N2CC3(COc4ccccc4C3)C2)CCN1CC1CC1 2356152390 HDJSYWBERACWQA-SFHVURJKSA-N 340.467 2.715 0 50 EFAA CCOc1ccc([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 4115330 CEWKRSAOCGOXLO-UHFFFAOYSA-N 328.372 2.740 0 50 EFAA COc1ccccc1N1CCN(Cc2cccn2-c2ncccn2)CC1 20637467 KLAFPHCJHNEFJB-UHFFFAOYSA-N 349.438 2.598 0 50 EFAA CCN(CC)[C@H](CNc1nc(C)nc2c1cnn2C)c1ccco1 67383226 LHYOLIBQDLKVLF-CQSZACIVSA-N 328.420 2.760 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 100099550 FHDWFKMNQCORDY-OKILXGFUSA-N 332.787 2.620 0 50 EFAA COC[C@@H](NC(=O)COc1c(C)ccc(C)c1C)c1ccccn1 55196640 XFHNCHDLSJNMSH-QGZVFWFLSA-N 328.412 2.890 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2C)C1 420841776 MNUSZQLZXZQBOB-INIZCTEOSA-N 331.460 2.501 0 50 EFAA CN(C(=O)CC1CCOCC1)C1CCN(Cc2ccccc2)CC1 117147343 OCEBLCVOWWRKON-UHFFFAOYSA-N 330.472 2.926 0 50 EFAA Cc1ccc(-c2cc(O)c3c(c2)CN(CCOCCO)CCO3)s1 67884637 KWMADKYXQYIYFZ-UHFFFAOYSA-N 349.452 2.632 0 50 EFAA CN1CCC(Cc2noc(-c3cnn(Cc4ccccc4)c3)n2)CC1 67856471 ICXAHTHVMUTWLF-UHFFFAOYSA-N 337.427 2.866 0 50 EFAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC1CCCCC1 20508707 SWCHVNNGLQKATH-JXMROGBWSA-N 341.499 2.766 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCCN(C2CCCC2)C1 67757711 CTGDCPWNCYHLDJ-INIZCTEOSA-N 332.492 2.730 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N2CCC3(CCN(C)C3)CC2)cc1 65501979 XFPMESNEDRFZOD-UHFFFAOYSA-N 344.455 2.602 0 50 EFAA CN(Cc1cc(O)ccc1Br)C[C@@H](O)C(F)(F)F 349413888 FYAKGZIWYFSFRV-SNVBAGLBSA-N 328.128 2.510 0 50 EFAA CCCCc1n[nH]c2c1CN(C(=O)Cn1nc(C)c(Cl)c1C)CC2 20168675 DWICHIVSHNRHDP-UHFFFAOYSA-N 349.866 2.804 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(Cl)c1 119542978 SPAFQOQFSHNZOT-PHIMTYICSA-N 325.792 2.557 0 50 EFAA C[C@H](Cc1ccsc1)NC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 252497849 DDPJWJXBUKPFFI-MGPQQGTHSA-N 337.489 2.768 0 50 EFAA C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)c1cccc(CO)c1 252486575 LSFNDVPXNAUWBL-GMVOTWDCSA-N 342.414 2.941 0 50 EFAA COc1ccccc1[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 150817865 VKMFLERTHFQJSQ-INIZCTEOSA-N 348.406 2.906 0 50 EFAA Cc1ccc(/C=C/S(=O)(=O)N(C)C[C@@H]2CCc3nccn3C2)cc1 328630667 QDKGPYDPMUSDIE-KQPPXVQYSA-N 345.468 2.686 0 50 EFAA Cc1nn(CCNC(=O)C2(N3CCCC3)CCCCC2)c(C)c1C 219964638 LDZPLCZOOUAKGE-UHFFFAOYSA-N 332.492 2.723 0 50 EFAA Cc1noc([C@H](Nc2nccc(C(F)(F)F)n2)C2CCOCC2)n1 328609991 GJNZICMVPQQVAK-LLVKDONJSA-N 343.309 2.767 0 50 EFAA Cc1nccn1C1(C(=O)O)CCN(C/C=C/c2ccccc2)CC1 72429646 HTKSKOYHPPOEJV-VMPITWQZSA-N 325.412 2.781 0 50 EFAA C[C@@H](C1CCN(Cc2ccc(O)c(Cl)c2)CC1)N1CCOCC1 72474375 JYQXICLNMHOWIS-AWEZNQCLSA-N 338.879 2.978 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2c(C)cccc2C)n1 331981600 BDYLODMSNOKWFR-DYVFJYSZSA-N 329.400 2.526 0 50 EFAA O=C(c1ccncc1F)N1CCC(O)(c2c(F)cccc2F)CC1 253430529 FHSJQSROMYNGLR-UHFFFAOYSA-N 336.313 2.623 0 50 EFAA C[C@@H](Oc1ccc(CN2CCC(C)(CO)CC2)cc1Cl)C(=O)O 215184335 QNNVWRIUBVJSDS-GFCCVEGCSA-N 341.835 2.786 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccnc1-n1cccn1 124178774 RMFMPCXLNGIVDP-OAHLLOKOSA-N 340.427 2.879 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 124330072 FIZAUPYSKIAMGE-PSFFPDNBSA-N 347.480 2.970 0 50 EFAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 329893335 JLOPFYHOHSQUOC-AESZEHBQSA-N 333.476 2.803 0 50 EFAA O=C(C1CCS(=O)(=O)CC1)N1CCCc2ccc(Cl)c(F)c21 332199197 FKOFBRNMJHDGAC-UHFFFAOYSA-N 345.823 2.583 0 50 EFAA Cc1ccc2[nH]cc(CCC(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2c1 174025774 PCDWINRAZQRLJK-UKRRQHHQSA-N 327.428 2.521 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 332225440 MAWPPRWZMRRBJQ-LLVKDONJSA-N 333.812 2.518 0 50 EFAA COCCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(C)CC1 72156055 YSVDBOOQTAWJQG-MRXNPFEDSA-N 333.476 2.890 0 50 EFAA CCCc1n[nH]cc1C(=O)N(C)Cc1cc(-c2cccnc2)no1 77406101 OQKSQSONFCWKRR-UHFFFAOYSA-N 325.372 2.684 0 50 EFAA COc1ncc(C)cc1NC(=O)CCc1csc2nc(C)cn12 158962932 AFHJYKSUJRNXGM-UHFFFAOYSA-N 330.413 2.988 0 50 EFAA CC(C)CN1CCN(Cc2cccc3cccnc23)C[C@H]1CCO 36385619 DKTLINJHZYTANH-LJQANCHMSA-N 327.472 2.759 0 50 EFAA Cc1ccc(C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c(C)c1 284555420 FRCLBWURFBLWMP-INIZCTEOSA-N 340.427 2.693 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)c(C)c1 333298391 PRMDKXNUZBCIEG-AZUAARDMSA-N 344.499 2.899 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cc(Cl)cc3cccnc23)C1 284697020 ZNXXLFDAPGXSOX-CABCVRRESA-N 343.818 2.968 0 50 EFAA C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCCNC3)c2)c2c(O)cccc21 333254863 HQGHQAZOOCOVDP-DZGCQCFKSA-N 340.427 2.667 0 50 EFAA N[C@@H]1c2ccccc2C2(CCN(c3cnc4ccccc4n3)CC2)[C@H]1O 72149548 DDNHOPLQBSERFW-UXHICEINSA-N 346.434 2.542 0 50 EFAA O=C1N[C@@H](C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CS1 373879528 ULTRIDOWLNJDNN-YUSALJHKSA-N 344.358 2.893 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n(C)n1 77504895 IDNBSHILBKNRLN-AWEZNQCLSA-N 337.427 2.933 0 50 EFAA CC[C@@H](C)OCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 263067032 IRTUHDDAOAKQIR-BYCMXARLSA-N 339.819 2.782 0 50 EFAA O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cncc(O)c1 240407439 FMENNAMMPBODRO-UHFFFAOYSA-N 339.395 2.595 0 50 EFAA O[C@]1(CNCc2c(F)cccc2OC(F)(F)F)CCSC1 240626718 HIXDRSRQPPRPST-LBPRGKRZSA-N 325.327 2.682 0 50 EFAA COc1cc(N[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc(OC)c1 241132987 JNVDXHIFMGPKFS-OAHLLOKOSA-N 341.411 2.816 0 50 EFAA CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC2(CCC2)C1 131348870 GEAACTXMBHBRPB-UHFFFAOYSA-N 343.880 2.617 0 50 EFAA O=C([C@@H]1CCOc2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 135450276 OYILIEDVTFHWCT-IEBWSBKVSA-N 339.391 2.858 0 50 EFAA Cc1nn(C)cc1-c1ccnc(NCc2ccc3nsnc3c2)n1 48112435 GQAVCPIFCKTVLX-UHFFFAOYSA-N 337.412 2.802 0 50 EFAA CCOC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)n1C 17071487 UEVMGRBBNMEVFC-UHFFFAOYSA-N 341.820 2.799 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3n[nH]c4ccccc34)CC2=O)cc1 82135084 WJBVQNHECSPJKG-CQSZACIVSA-N 348.406 2.749 0 50 EFAA Cn1cc(-c2ccc(C(=O)N(CCO)C3CCCCC3)cc2)cn1 426477896 KKLZGNSZTABVPE-UHFFFAOYSA-N 327.428 2.854 0 50 EFAA COc1ccc2cc(CNC(=O)N3CCC(C)(O)CC3)ccc2c1 178072581 FNCZHKMPWMVLBV-UHFFFAOYSA-N 328.412 2.905 0 50 EFAA Cc1cc(C(=O)NCc2cncn2C)ccc1NC(=O)CC(C)C 291205726 FJLLXFITKKVRCM-UHFFFAOYSA-N 328.416 2.643 0 50 EFAA CCCCc1ncc(CN2CCN(c3ccccc3OC)C(=O)C2)[nH]1 426551091 IYRGBIHVNMEEJE-UHFFFAOYSA-N 342.443 2.610 0 50 EFAA Cc1nc(C)c(-c2cccc(C(=O)N3CCO[C@@H](CCN)C3)c2)s1 426622867 BFDLUTQYIRSBMV-INIZCTEOSA-N 345.468 2.617 0 50 EFAA C[C@@](O)(CN1CCC(O)CC1)c1ccc(Br)cc1Cl 293654405 YCPXQGNBJIHDGS-CQSZACIVSA-N 348.668 2.767 0 50 EFAA Cc1cc(NC(=O)CSCC(=O)NCCC(C)(C)C2CC2)no1 294291835 WGDMOAGGGBPKDU-UHFFFAOYSA-N 339.461 2.597 0 50 EFAA Cc1[nH]ncc1-c1cc2nc([C@@H]3CC4CCN3CC4)[nH]c(=O)c2s1 143052888 XGVXKJKTISMIOW-ZDUSSCGKSA-N 341.440 2.840 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)c1 237326888 LRTBCKBBFWJUTB-MRXNPFEDSA-N 326.352 2.766 0 50 EFAA COC[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 92077146 ITMILKDKBQMDCC-AWEZNQCLSA-N 329.400 2.726 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1COc2ccccc2C1 91587410 XBXHYSKRJDNFEV-AWEZNQCLSA-N 327.428 2.917 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95357608 MSVPAVCWGKIZAJ-INIZCTEOSA-N 341.411 2.929 0 50 EFAA Cc1nnc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)s1 244678469 IDQDFJSUJYQXPE-MRXNPFEDSA-N 344.484 2.560 0 50 EFAA CCc1ccc(CN(CCOC)C(=O)[C@H]2CC23CCNCC3)cc1 534647945 LVWUVXMTTYWJEO-GOSISDBHSA-N 330.472 2.614 0 50 EFAA Cc1csc2c(N3CCCN(C(=O)c4ccco4)CC3)ncnc12 375662362 GBLRGHJGHKNPGQ-UHFFFAOYSA-N 342.424 2.945 0 50 EFAA CCc1cc(C(=O)NC2CCN(c3ccccc3F)CC2)cc(O)n1 299769325 MCARZBISKOXUTF-UHFFFAOYSA-N 343.402 2.888 0 50 EFAA O=C1C[C@H](C(=O)N2CCOc3ccccc3C2)C2(CCCCC2)O1 584902331 ZNUVKNMNJSXCRN-OAHLLOKOSA-N 329.396 2.674 0 50 EFAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)N1CCCCCC1 584887603 NMGGLXQYSUAMIL-KRWDZBQOSA-N 331.460 2.942 0 50 EFAA Cc1nc(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)cs1 949857520 UZZSGRIKBMZWAO-LLVKDONJSA-N 335.454 2.548 0 50 EFAA Cc1cc(-c2nc([C@H]3CCN(C(=O)OC(C)(C)C)C3)no2)cnn1 952848200 CWBBQUKLWMBXFI-NSHDSACASA-N 331.376 2.559 0 50 EFAA CCCCS(=O)(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 952982569 ZCMVIUSOFCDHMJ-SFHVURJKSA-N 339.501 2.822 0 50 EFAA Cc1ncc([C@@H](C)NC(=O)Cc2ccc3c(c2)CCC(=O)N3)s1 1875295633 LVUIUERJGARGMR-SNVBAGLBSA-N 329.425 2.756 0 50 EFAA CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)Nc3ncc(C)o3)cc21 1875279724 ALWAKFXMNGQDJN-SNVBAGLBSA-N 349.412 2.644 0 50 EFAA CC(=O)N1CCC(c2ccc(OC[C@H]3C[N@@]3CC3CC3)cc2)CC1 1875385062 LWLQVSIAGFRSGY-DENIHFKCSA-N 328.456 2.886 0 50 EFAA Cc1cc(O)nc(-c2cccc(NC(=O)c3cc4n(n3)CCCC4)c2)n1 885739173 OXHWOZZTTCUJAV-UHFFFAOYSA-N 349.394 2.943 0 50 EFAA Nc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3F)no2)nn1 886080347 MYWMJRRJCSQFEB-AWEZNQCLSA-N 340.362 2.585 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)C2CC(O)(CCC(C)(C)C)C2)C1 888077507 FUWZKNHUYCNZBT-YYHKSVKZSA-N 349.475 2.666 0 50 EFAA O=C(NCCC1CCC(F)(F)CC1)N[C@H]1CCc2n[nH]cc2C1 893715119 CFTMESOCLQFPBG-ZDUSSCGKSA-N 326.391 2.782 0 50 EFAA COc1ccnc(CC(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 408515628 JYTGGNLFOIDYJF-RDTXWAMCSA-N 326.396 2.621 0 50 EFAA CC(C)(C)c1nnc2ccc(C(=O)N3CCC4(CCOCC4)C3)cn12 274403154 FCPAZFRJKNQNQW-UHFFFAOYSA-N 342.443 2.670 0 50 EFAA CN(Cc1nccs1)[C@@H]1CC12CCN(c1ncc(F)cn1)CC2 275539599 FHLWHFWZISIIID-CYBMUJFWSA-N 333.436 2.563 0 50 EFAA Cn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)c2ccccc2c1=O 277230494 BIBKLLQUCHEILF-RDJZCZTQSA-N 338.407 2.512 0 50 EFAA C[C@H]1C[C@H]1C(=O)N1CCCC[C@H]1Cn1cc(NC(=O)[C@H]2C[C@H]2C)cn1 170090395 NMBYNBRPGAFFJZ-NOYHWAJDSA-N 344.459 2.515 0 50 EFAA COc1cc(CN[C@@H](Cc2ccccc2)C(=O)O)c2c(c1)C[C@H](C)O2 170612765 AELOCDZVSGURIU-UGSOOPFHSA-N 341.407 2.804 0 50 EFAA O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)[C@@H]1CCCNC1 638848754 LTBAPFGFAPAYDV-LLVKDONJSA-N 339.361 2.845 0 50 EFAA O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(=O)[nH]n1 189944536 FGVBNZMDKOWVNT-UHFFFAOYSA-N 333.775 2.855 0 50 EFAA COc1ccc2c(c1)[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)CCS2 191516054 QZMIBUFCEOHDEK-IRXDYDNUSA-N 346.500 2.858 0 50 EFAA COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)O 119305 GJODSFZNKNHKML-SNAWJCMRSA-N 337.378 2.843 0 50 EFAA in-vitro CCC[C@]1(C(=O)O)CCN(CCOc2ccccc2CC)C[C@@H]1O 1704316270 XALAUBJCRAPFAY-HKUYNNGSSA-N 335.444 2.566 0 50 EFAA Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)c2ccc(C(F)(F)F)cc2n1 1704328331 MDIFKRANCQTHLS-HOTGVXAUSA-N 339.361 2.673 0 50 EFAA Cc1ccc2oc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)c(C)c2c1 1772706838 HBIWTFWWVLTPMY-KUHUBIRLSA-N 329.396 2.973 0 50 EFAA O=C1CN(CCCOCc2ccccc2)C[C@H](Cc2ccccc2)N1 1772712957 WPEXCZKPPWUZDX-FQEVSTJZSA-N 338.451 2.636 0 50 EFAA O=C(NCc1cccnc1Oc1ccccc1F)c1cc[n+]([O-])cc1 11937472 JNMIHYIEOMNMMN-UHFFFAOYSA-N 339.326 2.576 0 50 EFAA Cc1c(CC(=O)N2CCCC2)c2c(n1C[C@H]1CCCO1)CCCC2=O 12442896 RPTUQTONSGHIMK-OAHLLOKOSA-N 344.455 2.659 0 50 EFAA CC(=O)Nc1c(C)cc(C)c(NS(=O)(=O)N2CCCCC2)c1C 12445161 QIRQLVQAIRQJGT-UHFFFAOYSA-N 339.461 2.713 0 50 EFAA CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 13425411 WTKWVKJWNJHISR-INIZCTEOSA-N 325.432 2.858 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 14950827 XBJFOZCGAWZEIB-HNNXBMFYSA-N 332.492 3.000 0 50 EFAA CC(C)CCc1noc(CN2CCCN(C(=O)c3ccco3)CC2)n1 14960709 WSFSWUGWMLUABQ-UHFFFAOYSA-N 346.431 2.599 0 50 EFAA COc1ccc(F)c(CN2CCC[C@@H](N3CCC(CO)CC3)C2)c1 19789453 ORGROUCCNGGJFQ-QGZVFWFLSA-N 336.451 2.503 0 50 EFAA Cc1ccc2ncnc(N[C@H]3CC(=O)N(Cc4ccccc4)C3)c2n1 1857711387 WPWVNFHBCBIQEO-HNNXBMFYSA-N 333.395 2.546 0 50 EFAA CCOC(=O)C(=CNc1ccc(Br)cc1)C(=O)OCC 1807582 CZRWKFPNRGCSND-UHFFFAOYSA-N 342.189 2.871 0 50 EFAA in-vitro Cn1nccc1[C@@H]1OCCC[C@H]1CNCC(C)(C)c1ccccn1 657480432 NLXJMHMBIUSZAH-MAUKXSAKSA-N 328.460 2.850 0 50 EFAA CC(C)(C)N1C[C@H](c2nc(-c3nccc4[nH]ccc34)no2)CC1=O 349716500 QJSJHZYVOBYKSI-SNVBAGLBSA-N 325.372 2.727 0 50 EFAA Cc1ccc([C@H](CNc2ncc(Cl)cn2)N2CCOCC2)cc1 267030669 AXKKXUKEXBACBW-INIZCTEOSA-N 332.835 2.924 0 50 EFAA O=C(O)C12CCC(C(=O)NCCc3cnc4ccccc4c3)(CC1)C2 910990663 GCRNPLOEFUMDFC-UHFFFAOYSA-N 338.407 2.929 0 50 EFAA Oc1nc2c(cc1-c1noc([C@H]3CCc4ccccc4C3)n1)CNCC2 2325773014 JSMMLRWYGWBCLO-AWEZNQCLSA-N 348.406 2.755 0 50 EFAA N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(F)c2)C1 2325788001 HCPKEHBLJBFOBQ-LSDHHAIUSA-N 348.805 2.680 0 50 EFAA CC[C@H]1CC[C@H](NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 873187461 SOKYRUFIXQMAHQ-MJSJUKTCSA-N 342.505 2.610 0 50 EFAA CC(C)Cc1ccc(CNC(C)(C)CCN2CCN(C)CC2)cn1 893666549 TYSYZMYUYJZVKP-UHFFFAOYSA-N 332.536 2.786 0 50 EFAA CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)N1 92326 DWPVBVARLIXRSW-UHFFFAOYSA-N 340.265 2.883 0 50 EFAA O=C(O)CSCCCN1C(=O)c2cccc3cccc(c23)C1=O 4247156 SQXPHIIZHOUKGV-UHFFFAOYSA-N 329.377 2.644 0 50 EFAA Cn1c(=O)n(C)c2cc(NC(=O)CCSc3ccccc3)ccc21 4840074 XOKHUMYRUABKNJ-UHFFFAOYSA-N 341.436 2.998 0 50 EFAA Cc1cccc(-n2nnnc2S(=O)(=O)Cc2cccc(Cl)c2)c1 4867518 JKBYNBPQUPHEPN-UHFFFAOYSA-N 348.815 2.598 0 50 EFAA C[C@@H]1CCCN(c2cc(NCCC(=O)N3CCCCCC3)ncn2)C1 110396548 VJWRUFCSMBDIQH-MRXNPFEDSA-N 345.491 2.918 0 50 EFAA CC(C)(O)CC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225402518 HZXQGNPLSIDUBV-OLZOCXBDSA-N 331.334 2.501 0 50 EFAA CO[C@@H]1CCC[C@H](OC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 225417405 AVGVGGVDRFCEAA-VNPUNGKLSA-N 337.460 2.914 0 50 EFAA Cc1ccc(Sc2nsc(NC(=O)c3cccc(=O)[nH]3)n2)cc1 225775926 NLOUGCMVQKYSAV-UHFFFAOYSA-N 344.421 2.938 0 50 EFAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1cccc(NC(=O)C2CC2)c1 247306076 JEZFPNGAOKEGKC-DYVFJYSZSA-N 342.443 2.736 0 50 EFAA Cc1nnc(SCC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)s1 67843176 ZRVBGYRVUXEICS-UHFFFAOYSA-N 349.485 2.569 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c(F)c1 20998421 LDRWSNYBCHFKRY-INIZCTEOSA-N 338.467 2.749 0 50 EFAA CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc2O1 135268530 FBSQVAAPUWYPGS-XIKOKIGWSA-N 327.384 2.982 0 50 EFAA O=C(O)[C@H]1c2[nH]cnc2CCN1Cc1cccc(C(F)(F)F)c1 72407319 BHWGXEAHBGINLO-CYBMUJFWSA-N 325.290 2.613 0 50 EFAA CCC[C@@]1(C2CCNCC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O 67867404 WWOBVIPRXHRHBH-IBGZPJMESA-N 347.434 2.724 0 50 EFAA CC(C)CCN1CCN(Cc2cccc(F)c2F)C[C@@H]1CCO 20910292 WDPLJADGBZSYCY-INIZCTEOSA-N 326.431 2.880 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N[C@H]1CCC[C@H]1CCO 252478327 AJIPDIIOWIEXIK-FZMZJTMJSA-N 326.824 2.699 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 252671056 MNUGADQYOWWDHM-RDJZCZTQSA-N 342.443 2.514 0 50 EFAA CCNc1cc(NCCNC(=O)Nc2ccccc2C)nc(C)n1 65363858 ANQNPHMUMMJGNV-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA CC(C)N1CCCn2nc(C(=O)N(C)CCC[C@H]3CCCO3)cc2C1 65417675 RRIFGSMTHSFNFJ-KRWDZBQOSA-N 348.491 2.528 0 50 EFAA CS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 282090485 JHFKOJRRXWOGLZ-OFLPRAFFSA-N 335.469 2.606 0 50 EFAA CCCOc1ccc(/C=C/C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1OC 153894667 ZZWZJRXILXWXQW-VIGJRRFGSA-N 332.444 2.706 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccsc2)c(Cl)cc1C(=O)O 362307787 ALRPJGIXJIYHGZ-UHFFFAOYSA-N 347.801 2.909 0 50 EFAA CN(Cc1cccc(N(C)C)c1)C(=O)c1cc2ccccc2c(=O)[nH]1 156217183 IZGYKWZBSXITQU-UHFFFAOYSA-N 335.407 2.866 0 50 EFAA O=C([C@@H]1Cc2ccccc2O1)N1CCNC[C@@H]1c1ccccc1Cl 262005599 QGFOTQOYSFOQCI-AEFFLSMTSA-N 342.826 2.817 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 77302041 LXNFUPSPSOCCIY-UHFFFAOYSA-N 335.411 2.619 0 50 EFAA CSc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 72407425 GXBHNEXKNAHTEZ-OAHLLOKOSA-N 348.512 2.981 0 50 EFAA CC(C)CCOc1ccccc1CCNC(=O)c1cccn(C)c1=O 215693334 DUVCRHIRHXZFNG-UHFFFAOYSA-N 342.439 2.783 0 50 EFAA Cc1cc2nc(CNC(=O)CCN3CCCCCC3=O)[nH]c2cc1C 217564250 BQRWVBCAEFFHKO-UHFFFAOYSA-N 342.443 2.589 0 50 EFAA C[C@@H]1CCN(C(=O)c2cnn([C@@H]3CCCNC3)c2)c2c(O)cccc21 333254868 HQGHQAZOOCOVDP-UKRRQHHQSA-N 340.427 2.667 0 50 EFAA C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)c2ccc(F)cc2O1 128014006 IDCKINKKCFBFFS-LBPRGKRZSA-N 339.370 2.860 0 50 EFAA CCCN1CC2(CCN(c3ncccc3Cl)CC2)C[C@H]1C(=O)O 72419385 YVXVTCBBCVENEU-AWEZNQCLSA-N 337.851 2.891 0 50 EFAA Cn1nnc2ccc(C(=O)N3CCC[C@@H](CC(F)(F)F)C3)cc21 333697673 GTBPJWSBGUTDIH-JTQLQIEISA-N 326.322 2.773 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 237971519 MBFBHMOOBXYGDC-AWEZNQCLSA-N 327.384 2.589 0 50 EFAA CCS(=O)(=O)c1ccc(CNC(=O)CC2CC(F)(F)C2)cc1 450441783 VJNUGOKRWCZIPU-UHFFFAOYSA-N 331.384 2.532 0 50 EFAA Cn1nccc1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 286017923 APVYDQBVDOAGSS-NSHDSACASA-N 329.326 2.635 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)cc2C)C(=O)O)c(OC)c1 455939240 WFXSQCAJBRTXJF-QGZVFWFLSA-N 343.379 2.876 0 50 EFAA Cc1cccc([C@H](C(=O)NCCNc2ccncc2C)N(C)C)c1 223860661 NLOBQRRNXYDIOP-GOSISDBHSA-N 326.444 2.529 0 50 EFAA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2 320814810 BCAOFSHJEHVBQW-UHFFFAOYSA-N 333.369 2.754 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)NCC[C@H]1CCCCN1C 426618392 TUIKAHLKMOIEHQ-CQSZACIVSA-N 347.488 2.707 0 50 EFAA C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 291147175 XBDQFDSYDNKKKA-ZNMIVQPWSA-N 336.863 2.928 0 50 EFAA C[C@H](Oc1ccc(CN2CCC(CCO)CC2)cc1Cl)C(=O)O 222725055 FUMWJVZMOKTJND-LBPRGKRZSA-N 341.835 2.786 0 50 EFAA CC(C)c1nnc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)o1 91974169 QQXCNWQSVRLQFM-UHFFFAOYSA-N 346.475 2.808 0 50 EFAA CCn1ncc(CN(C)c2nc(C(C)C)nc3c2cnn3C)c1C 426372510 SVKNURKAMQFTOL-UHFFFAOYSA-N 327.436 2.648 0 50 EFAA O=C(CC[C@H]1CCCN(Cc2ncon2)C1)NCc1ccccc1F 95499388 ABJNQPKGHQFBRG-CQSZACIVSA-N 346.406 2.517 0 50 EFAA FC(F)(F)c1nnc2n1CCN(Cc1c[nH]c(-c3ccccc3)n1)C2 179737043 ISBVEUFLFWOWQZ-UHFFFAOYSA-N 348.332 2.703 0 50 EFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)N3CCCC3)C2)CCC1=O 91636706 PSWNRAITXNEZKQ-LJQANCHMSA-N 335.492 2.953 0 50 EFAA Cc1cc(C)n(CCC(=O)NC[C@H]2CCOc3ccccc3C2)n1 97797221 QZXQRLFVVLFARB-INIZCTEOSA-N 327.428 2.648 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95388451 ZOHLRDQGTAZXSR-INIZCTEOSA-N 341.411 2.929 0 50 EFAA COc1cccc([C@@H]2[C@@H](NCC3=CCCOC3)CCN2C2CC2)c1 180376038 RMTPOFGWBVMVMJ-VQTJNVASSA-N 328.456 2.909 0 50 EFAA CCc1ccc(CN(CCOC)C(=O)Nc2ccc[nH]c2=O)cc1 96164077 OXDOXZMCZSZGTM-UHFFFAOYSA-N 329.400 2.618 0 50 EFAA OCc1ccccc1CN1CCN(Cc2c(F)cccc2F)CC1 97772858 OJHBWMYYOSYMSF-UHFFFAOYSA-N 332.394 2.775 0 50 EFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(CC2CCC2)CC1 91746945 LYZXSALNPKCZNG-UHFFFAOYSA-N 342.491 2.831 0 50 EFAA CCc1cc(-c2cccc(OC)c2OC)nc(N2CCOCC2)n1 97499547 OHBIXPDUCOBMBO-UHFFFAOYSA-N 329.400 2.560 0 50 EFAA O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@H]1c1nccs1 95369805 HZMSURRLXMGHKU-HNNXBMFYSA-N 347.440 2.546 0 50 EFAA N[C@H]1C[C@@H](c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1 244840191 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0 50 EFAA CC12CC(Cn3nnc(-c4ccc(Br)cc4)n3)(CO1)C2 952991583 BDQGCJOOVVJSPQ-UHFFFAOYSA-N 335.205 2.672 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2cc(CC(C)C)nc(O)n2)c1 952972574 PEQVSQSDXMQKPC-KRWDZBQOSA-N 341.411 2.977 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1875273977 QZNLIGODBDGZHO-FSVCHBRZSA-N 327.371 2.962 0 50 EFAA Cc1c(Cl)ccc2[nH]c(C(=O)N[C@@]3(c4ncc[nH]4)CCOC3)cc12 1875278519 GTKHNXGXEJXJBG-KRWDZBQOSA-N 344.802 2.898 0 50 EFAA CO[C@@H](CNC(=O)c1ccc(C(=O)O)cc1Br)C(C)C 1875300580 IYTOEDKTLBCCFV-LBPRGKRZSA-N 344.205 2.548 0 50 EFAA CC(=O)Nc1ccc(C)cc1NC(=O)C[C@H]1NC(=O)c2ccccc21 952985248 AGNHXDRZJUEAGE-MRXNPFEDSA-N 337.379 2.767 0 50 EFAA NC(=O)[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@H]1c1ccccc1 895006759 NQENBEYSOIXVKB-JKSUJKDBSA-N 327.453 2.721 0 50 EFAA CCc1ncoc1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 1775999754 VPYUQRQUKQYVOD-UHFFFAOYSA-N 345.424 2.932 0 50 EFAA O=C(NCCCN1CCC[C@@H](c2ncc[nH]2)C1)OCc1ccccc1 408525505 LPQIKTUKYMNWEW-QGZVFWFLSA-N 342.443 2.906 0 50 EFAA CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1ccccc1-n1ccnc1 272410592 FLGJWZRFCGCXNU-SJLPKXTDSA-N 342.443 2.565 0 50 EFAA O=S1(=O)CCC(CNc2ccccc2OCC(F)(F)F)CC1 274019503 VWVBRKHCJAXSMT-UHFFFAOYSA-N 337.363 2.864 0 50 EFAA CCC1(CC)CN(C(=O)CCc2c(C)nc(C)nc2O)CCS1 274374769 DTMOVQCPAJLBPW-UHFFFAOYSA-N 337.489 2.866 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 278453186 XFRCTHQIWHYHDS-UHFFFAOYSA-N 328.416 2.851 0 50 EFAA C[C@@H]1CN(c2ccc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc2)C[C@@H](C)O1 633682006 SQVMZVSSXNKKGJ-VVWQDTPRSA-N 344.455 2.694 0 50 EFAA C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 676003831 WKEJZXBPGZQDQL-VIFPVBQESA-N 338.791 2.672 0 50 EFAA COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccon1 188886320 ZHEOTMHWPOPYLE-MRVPVSSYSA-N 325.162 2.937 0 50 EFAA CC(C)c1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)n(-c2ncccn2)n1 191633965 JYUBOCAGLNPNLR-CHWSQXEVSA-N 329.404 2.539 0 50 EFAA CN(Cc1noc(C(C)(C)C)n1)[C@H]1CCN(Cc2ccccc2)C1=O 191773917 DRVZKEVFDDIQDJ-HNNXBMFYSA-N 342.443 2.600 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c(F)c1 648577291 WICKSOOLAUKVFD-MRXNPFEDSA-N 340.398 2.913 0 50 EFAA Cn1nnc(CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 193429744 GQPUNAMFADGRNZ-NSHDSACASA-N 342.230 2.560 0 50 EFAA CCc1nccn1C[C@@H](C)NCc1nc(Cc2ccccc2)no1 1506415718 BXRQQYQEOIMMQR-CQSZACIVSA-N 325.416 2.598 0 50 EFAA COc1ccc(F)c(F)c1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529119397 WENLZPIMCVSRIC-IEBWSBKVSA-N 349.377 2.908 0 50 EFAA Cc1n[nH]c(C)c1CCCNc1cc(C(=O)N2CCCC2)ccn1 1529169347 XDEJEFMHFBEHGO-UHFFFAOYSA-N 327.432 2.702 0 50 EFAA Cc1cc(C[C@@H]2CN(CCCCOc3ccccc3)C[C@H]2O)on1 1704300945 CAYFHLRJFCMPBH-VQIMIIECSA-N 330.428 2.677 0 50 EFAA CCC1=NO[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)C1 1704299477 SFKBCMYYASWGKC-AWEZNQCLSA-N 334.441 2.693 0 50 EFAA Cc1cc(C)cc(OCCCN(C)Cc2cnc(C(=O)O)cn2)c1 1772701099 HLKXTXSYQQICDT-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA COc1ccc(-n2c(CNC(=O)c3ccoc3)nnc2SC)cc1 11786122 ZQHQKVHJKQHUBB-UHFFFAOYSA-N 344.396 2.521 0 50 EFAA CSCCC(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12430798 MTDSMNKBVJTZQS-INIZCTEOSA-N 342.464 2.810 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12528547 VFLLXBZQTKFJOZ-MRXNPFEDSA-N 339.439 2.844 0 50 EFAA O=C1c2cccc3cccc(c23)C(=O)N1CCCSc1ncn[nH]1 18213309 ACUPQPGUHKDMKN-UHFFFAOYSA-N 338.392 2.736 0 50 EFAA CCCc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 18227898 IXFMLOUBQUWATL-UHFFFAOYSA-N 332.835 2.702 0 50 EFAA COc1ccc(-c2nc(CNC(=O)c3cc(C)on3)c(C)o2)cc1O 1857688277 ABSCVMPVXJZSRA-UHFFFAOYSA-N 343.339 2.591 0 50 EFAA CC(C)[C@@H]1CN2C[C@H](NC(=O)N[C@H](C)c3ccc(F)cc3)C[C@H]2CO1 1857717967 IFWIXBLLVJVOAP-ZSGPHXLJSA-N 349.450 2.684 0 50 EFAA O=C(c1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1nc(O)n[nH]1 329159083 DRHFOIXHRIWZLO-OAHLLOKOSA-N 326.400 2.757 0 50 EFAA Cn1ccnc1[C@@H]1C[C@H](N=c2nc(C3CCCC3)[nH]s2)CCO1 333742109 XSOVDUYCTDSUDZ-OLZOCXBDSA-N 333.461 2.683 0 50 EFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 237682889 OLWKRRPFASUXMG-AOIWGVFYSA-N 329.488 2.799 0 50 EFAA Cn1ccc([C@@H](NC(=O)c2ccnc(O)c2)c2ccc(Cl)cc2)n1 240555631 GWTGMVSJOYSXJB-INIZCTEOSA-N 342.786 2.694 0 50 EFAA C[C@@H](CCc1ccccc1)NCc1ccc(S(=O)(=O)CCO)cc1 252478768 AUVBNTCIIJJEPD-INIZCTEOSA-N 347.480 2.564 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 393097781 DVWYNRSQCUHJTM-IFXJQAMLSA-N 337.375 2.906 0 50 EFAA C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)c1cccn(CC(F)(F)F)c1=O 907677247 OVJQDOVHQZJHFL-UTUOFQBUSA-N 330.350 2.917 0 50 EFAA CC[C@@](CNC(=O)C1Cc2ccccc2C1)(C(=O)O)c1ccccc1 909845403 MTIGYZUOYYDTNG-NRFANRHFSA-N 337.419 2.950 0 50 EFAA c1ccc(CCN(Cc2cccnc2)Cc2n[nH]c3c2COCC3)nc1 930305578 PZLKEYYUWWKUBB-UHFFFAOYSA-N 349.438 2.517 0 50 EFAA Cc1cc2nc(C)c(-c3ccccc3)c(NC(=O)[C@H]3CCOC3)n2n1 1851251221 CJZAGAHKFIUVND-HNNXBMFYSA-N 336.395 2.988 0 50 EFAA CC(C)(CN)CC1CN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 2325813070 IJHCOGWILVLHQC-UHFFFAOYSA-N 342.418 2.730 0 50 EFAA CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3occc23)cc1 2325824326 YHEFEFNEKMUCAU-UHFFFAOYSA-N 345.380 2.985 0 50 EFAA C[C@H]1CN(c2ccncc2)CCN1C(=O)Nc1cccc2nccnc12 889421510 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111835083 IALSQCMGSUEDJQ-CQSZACIVSA-N 331.445 2.769 0 50 EFAA CS[C@@H]1CCCCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 246873351 QDPHXVFQBZTZLY-UONOGXRCSA-N 347.484 2.578 0 50 EFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCc1nc(-c2ccccc2)no1 101426970 KOAFBNYULDRENR-HUUCEWRRSA-N 337.379 2.620 0 50 EFAA O=C(CCNCc1ccccc1-n1cncn1)Nc1ccccc1F 65508639 KXJJNTFKMUBLBP-UHFFFAOYSA-N 339.374 2.525 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc2c(c1)OCO2 67725503 BLASQKGIKBEUDE-MRXNPFEDSA-N 335.363 2.783 0 50 EFAA CCN1CCC[C@@H](CNC(=O)c2cc(-c3cccs3)nn2C)C1 67817544 ICMKRBHNFBDOOK-ZDUSSCGKSA-N 332.473 2.610 0 50 EFAA Cn1ccnc1-c1ccc(NCC[C@H]2COc3ccccc3O2)nn1 67847742 INRITJNCFHXKGS-ZDUSSCGKSA-N 337.383 2.519 0 50 EFAA Cc1nn(C)c2ncc(-c3nc([C@H]4CCOC(C)(C)C4)no3)cc12 351169296 BUMGAZOOMQMGAT-NSHDSACASA-N 327.388 2.999 0 50 EFAA CC[C@@H](Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C 67756363 XIWHAPILGFATKN-SECBINFHSA-N 331.401 2.995 0 50 EFAA C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2ccccc2)ncc1=O 331577430 ONTJBBQYBUABOY-CRAIPNDOSA-N 339.439 2.947 0 50 EFAA Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 61721436 PEOQAZBGLOADFJ-UHFFFAOYSA-N 336.347 2.562 0 50 EFAA in-vitro C[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccc(F)c(F)c1 315669932 PYDTXVMJLMPOOD-ZETCQYMHSA-N 347.364 2.764 0 50 EFAA Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nccs2)C1 328831143 VFXSOOPRJFCZGD-GFCCVEGCSA-N 347.469 2.502 0 50 EFAA O=C(Nc1ccccc1-c1n[nH]c(=S)[nH]c1=O)c1ccc(F)cc1 6565669 XXKZZHYCBBEXNS-UHFFFAOYSA-N 342.355 2.886 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1F 282474784 IRKWEAQPJZYLGI-GOEBONIOSA-N 333.334 2.922 0 50 EFAA COc1ccc(-n2cnc3cc(C(=O)O)ccc3c2=O)cc1Cl 211099006 LUNONMCXGPPFNJ-UHFFFAOYSA-N 330.727 2.746 0 50 EFAA COC(=O)[C@H]1CC12CCN(Cc1ccnn1-c1ccc(F)cc1)CC2 253427540 CFULJGYARQWJNM-QGZVFWFLSA-N 343.402 2.787 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N(C)C1CCN(c2ccncc2)CC1 360366945 PSDWZRJIWCUZBD-CYBMUJFWSA-N 341.459 2.652 0 50 EFAA CCCC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1 219916984 JKSMQLWAANTDIQ-MRXNPFEDSA-N 336.395 2.979 0 50 EFAA O=C(/C=C/c1ccc[nH]1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 364841402 HAFKBZYLCZLFOE-HVHJFMEUSA-N 335.411 2.552 0 50 EFAA COc1ccc2[nH][nH]c(=NC(=O)[C@@H]3C[C@]34CCOc3ccccc34)c2c1 487316256 FQCUBGYMXUKOMG-YWZLYKJASA-N 349.390 2.672 0 50 EFAA CN1CCN(c2ccnc(-c3noc([C@]4(C)CC=CCC4)n3)c2)CC1 333870368 UIMPHJAKAGNTQX-LJQANCHMSA-N 339.443 2.881 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CC[C@@H](Oc2ccc(F)cc2)C1 368174807 SPGRHSIZNQUSQJ-MRXNPFEDSA-N 339.370 2.924 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)N2CC(C)(C)OC(C)(C)C2)cn1 334131258 UMYJPXPRTWIMHH-CVEARBPZSA-N 349.475 2.787 0 50 EFAA COCCC1(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)CCCCC1 368747055 WFVRNYBBKWPUKN-GOSISDBHSA-N 345.487 2.873 0 50 EFAA C[C@H](C1CCN(Cc2c(F)cccc2F)CC1)N1CCN(C)CC1 77489053 SGWFWJHNEQFCCB-OAHLLOKOSA-N 337.458 2.813 0 50 EFAA O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71753672 HSNCBBCZEOGNNA-DFQSSKMNSA-N 333.435 2.784 0 50 EFAA O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCn2nccc21 375958271 PDUPQKIXJQMXKO-LBPRGKRZSA-N 326.183 2.660 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccccc1F 72454055 FCOJIAJRTMEJAW-GOSISDBHSA-N 347.478 2.638 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cnn2ccccc12 82126849 IKMDDAFHHOBLAQ-INIZCTEOSA-N 334.423 2.933 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 263508643 WRPDVANLFVULHI-MRXNPFEDSA-N 348.790 2.854 0 50 EFAA Cc1cccc2nc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)O)[nH]c12 426701333 BHVIEYKXMRFFNT-ZDUSSCGKSA-N 332.404 2.512 0 50 EFAA O=C(NCc1ccco1)c1ccccc1-n1cnc2ccccc2c1=O 40288308 ICDOUXPYMLUZLV-UHFFFAOYSA-N 345.358 2.909 0 50 EFAA COCC1(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)CCC1 82107649 XVIJOKLARCXZIE-QGZVFWFLSA-N 329.440 2.854 0 50 EFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)N(C)Cc1nonc1C 426612491 DNNRHLUWJCQULM-CYBMUJFWSA-N 341.415 2.900 0 50 EFAA Cc1ccccc1OC1CN(C(=O)Cc2cn3ccsc3n2)C1 82106730 ISJLZSDRKQUPAB-UHFFFAOYSA-N 327.409 2.537 0 50 EFAA COc1cccc(N2CCN(Cc3ccc(OC)cc3F)CC2=O)c1 82106928 MAMUAXWIAWZDCJ-UHFFFAOYSA-N 344.386 2.692 0 50 EFAA CC[C@@H](O)CSc1nnc(CN)n1-c1cccc(C(F)(F)F)c1 426494397 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342.491 2.626 0 50 EFAA CC(C)Nc1ncc(C(=O)NCCCN(C)c2ccccc2)cn1 97547753 SRDWLWLGYFAYCQ-UHFFFAOYSA-N 327.432 2.553 0 50 EFAA Cc1nnsc1CN(C)Cc1cc(Cl)ccc1OCC(=O)O 244853018 VDSBWMGLJPHBTC-UHFFFAOYSA-N 341.820 2.595 0 50 EFAA CN(C)c1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc2n1 182760615 BKMQKSGPBNBKDC-HNNXBMFYSA-N 338.455 2.611 0 50 EFAA Cc1nccc(N2CCN(Cc3ccc(OC(F)F)cc3)CC2)n1 183785573 YNVNIWYMYQCPRF-UHFFFAOYSA-N 334.370 2.709 0 50 EFAA COc1c(C)cnc(CN(C)C[C@@H]2CCO[C@H]2c2ccnn2C)c1C 299742513 JTBKLILYZHABIU-HNAYVOBHSA-N 344.459 2.650 0 50 EFAA O=C(NCCCn1cc(Cl)cn1)N1CC[C@@H](Oc2ccccc2)C1 584885992 SBTZSNUKKHDILW-MRXNPFEDSA-N 348.834 2.790 0 50 EFAA C[C@@H](CCNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCC1 584884276 YSMZYYQOBHBFGN-HNNXBMFYSA-N 343.475 2.589 0 50 EFAA Cc1cc(C)c(CN2CC[C@@H](CNC(=O)c3cncnc3)C2)cc1C 67472668 LIMJYKDXSKDFAB-KRWDZBQOSA-N 338.455 2.654 0 50 EFAA CCc1nc(CN2CCc3nnc(-c4cccc(F)c4)cc3C2)n[nH]1 952893242 GYRZNSVKOLBZHJ-UHFFFAOYSA-N 338.390 2.522 0 50 EFAA 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CNC[C@H]1CCN(C(=O)c2cc(C)n(Cc3ccccc3)c2C)C1 269185846 SPDWCNGEIJUZCV-GOSISDBHSA-N 325.456 2.835 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cnoc1-c1ccccc1 952978180 XPJJQNSPAVDWSP-MRXNPFEDSA-N 341.411 2.815 0 50 EFAA O=C(NCc1nnc([C@@H]2CCCOC2)o1)c1cccc(Cl)c1F 886096892 NLEPBJLKLCJDMS-SECBINFHSA-N 339.754 2.686 0 50 EFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC2CCN1CC2 1142635169 HFINGOMNXJFOBY-INIZCTEOSA-N 346.862 2.749 0 50 EFAA Cc1cccc([C@H](CNc2nccn3ccnc23)N2CCOCC2)c1 891807310 LHYFQMPKANGLHN-KRWDZBQOSA-N 337.427 2.523 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC2(CC1)CC2(F)F 892789417 OJLYVWZRWJUYLX-HNNXBMFYSA-N 335.398 2.532 0 50 EFAA COC1(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)CCCC1 896446635 WRDOZLVETWXCQB-UHFFFAOYSA-N 344.455 2.603 0 50 EFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 1565505874 BPNAMXPLRSBAMB-RYUDHWBXSA-N 337.725 2.893 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccccc1C(=O)O)C2 1565527448 DGAKYCCITUCXIC-SJORKVTESA-N 342.439 2.774 0 50 EFAA CN1C(=O)C[C@@H](NC2CCSCC2)[C@@H]1c1ccc(F)c(F)c1 170062722 ITFHOGIVNMDMPP-ZBFHGGJFSA-N 326.412 2.722 0 50 EFAA Cc1cc(C)c(C(=O)O)c(NS(=O)(=O)c2cnn(C(C)C)c2)c1 170015692 DMWMDAZAOUZYBH-UHFFFAOYSA-N 337.401 2.580 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(C)c1 170605671 WBEXATFCUHSHBM-UHFFFAOYSA-N 327.306 2.590 0 50 EFAA CC[C@H](C(=O)NCc1cccc(CN2CCC(C)CC2)c1)C(=O)OC 170611160 YKZCWMKCBZZIMG-GOSISDBHSA-N 346.471 2.734 0 50 EFAA CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCO[C@@H](C)C2)c1 171312714 CZGJNHJKWVPHLY-CABCVRRESA-N 347.459 2.992 0 50 EFAA Cc1nc2cc(NC(=O)N3CCNC(=O)[C@@H]3CC(C)C)ccc2o1 188466360 FPCVTLWOBIOJPG-AWEZNQCLSA-N 330.388 2.515 0 50 EFAA CSc1nsc(NC(=O)N(C)CC2(O)CCCCCC2)n1 189093635 RWPPZWWWKATGFG-UHFFFAOYSA-N 330.479 2.809 0 50 EFAA Cc1n[nH]nc1C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 194277717 MZCBYDQFGUOMNR-HNNXBMFYSA-N 326.400 2.771 0 50 EFAA CC(C)Oc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1529189284 KCJGVVNPAFAIMI-IEBWSBKVSA-N 340.423 2.856 0 50 EFAA 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EFAA CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](CO)C2)cc1 246124659 YXZLIXJEDLBQLP-APWZRJJASA-N 344.499 2.962 0 50 EFAA CCn1ncc(C)c1NC(=O)N1CCc2cc(OC)c(OC)cc2C1 667822107 XXKLGNXOXRQMBU-UHFFFAOYSA-N 344.415 2.819 0 50 EFAA C[C@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 262817589 APFUECOIDCHHKP-GXTWGEPZSA-N 344.411 2.604 0 50 EFAA NS(=O)(=O)C1CCN(Cc2cc(Cl)cc3ccccc23)CC1 930119389 VFHAPDRRNGSVKY-UHFFFAOYSA-N 338.860 2.746 0 50 EFAA CC(C)[C@@H](NC(=O)Nc1cn(C)nc1C(F)(F)F)c1cnn(C)c1 930813813 JPFMJQYMINDBQC-LLVKDONJSA-N 344.341 2.691 0 50 EFAA C[C@H]1COCC[C@@H]1CNC(=O)c1noc2c1CCc1ccccc1-2 935955742 SWHJTZJHORHTJI-GXTWGEPZSA-N 326.396 2.843 0 50 EFAA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 13326412 NJABHDAAABYGQP-UHFFFAOYSA-N 330.211 2.901 0 50 EFAA O=C(O)C1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 911251769 ACZUGZOGBQWAMI-QGZVFWFLSA-N 344.455 2.660 0 50 EFAA CCCn1nc(C)cc1-c1nn2c(-c3ccncc3)nnc2s1 36359367 NLBUTXKKKCWXQM-UHFFFAOYSA-N 325.401 2.830 0 50 EFAA 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Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N(C)C)n[nH]2)o1 91907898 SGBSSOZVHUGTAA-HNNXBMFYSA-N 342.399 2.912 0 50 EFAA Cc1ccc(-c2ccc(CN3Cc4nc[nH]c4C[C@H]3C(=O)O)cc2)o1 97743509 OAPBKSTZIRLRAN-KRWDZBQOSA-N 337.379 2.990 0 50 EFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 22918647 MVEKIRCCMIYCDJ-SFHVURJKSA-N 349.450 2.564 0 50 EFAA O=C(NCc1nnc(-c2ccccc2)o1)[C@@H]1COc2ccccc2C1 95498552 VFWWNQKIVNGYDO-HNNXBMFYSA-N 335.363 2.604 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1sc(C)nc1C 97717381 KOEVMWDFMMAFFM-UHFFFAOYSA-N 336.461 2.933 0 50 EFAA CCC[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1C(=O)O 91895884 JWCWFPDWSJFJAN-UKRRQHHQSA-N 335.375 2.748 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCCc1nc(C)cs1)C2 91645955 BESKFMMAKBQHNJ-CQSZACIVSA-N 346.452 2.760 0 50 EFAA CCCn1nc(C)c(NC(=O)N[C@H](C)c2cn3ncsc3n2)c1C 97137419 IKFYCOOMWAWBES-SECBINFHSA-N 347.448 2.897 0 50 EFAA O=C(Nc1ccc(-c2cccc(O)c2)cc1)[C@H]1CCCS1(=O)=O 1143480404 GZNOLPNNMOEJIN-MRXNPFEDSA-N 331.393 2.575 0 50 EFAA C[C@H](NC(=O)Nc1ccncc1F)c1ccc(-n2cncn2)cc1 184192265 LTOJLQVFGLLCJE-NSHDSACASA-N 326.335 2.684 0 50 EFAA O=C(c1ccccc1)N1CCC[C@H](NC2CSCCSC2)C1 534645417 SKVVDJMXSCLJJP-HNNXBMFYSA-N 336.526 2.729 0 50 EFAA Cn1nccc1-c1ccnc2nc(CCc3c[nH]c4ccccc34)nn12 263587057 BNDPCWNBMNNHDS-UHFFFAOYSA-N 343.394 2.791 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)cc2[nH]cnc12 262160073 PNAXYGGRTLFQLN-FZZIBODNSA-N 331.347 2.560 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc(C(=O)O)c1C 185127320 ODLKOILBOJKRDR-CJNGLKHVSA-N 337.441 2.955 0 50 EFAA COCC1(NC(=O)c2ccc(-c3cc(C)nc(N)n3)cc2)CCCC1 299801856 YBWGOHQTQUNHHN-UHFFFAOYSA-N 340.427 2.723 0 50 EFAA CSc1ccc(-c2nc(C[C@H]3CCCOC3)n(CCO)n2)cc1 828776617 ASKSZEJFLAOHBY-CYBMUJFWSA-N 333.457 2.628 0 50 EFAA Cc1ccc2c(CCN[C@H](C)CN3CCN(C)CC3)c(C)[nH]c2c1C 584901946 QFIBEFJNHVTWHJ-MRXNPFEDSA-N 342.531 2.861 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(=O)O 206412162 JAESXZNGXKCZFC-KPZWWZAWSA-N 344.411 2.850 0 50 EFAA COc1c[nH]c(C(=O)N2CCC[C@H](c3cccc(C)c3)C2)cc1=O 670452956 RVPXWEDLZNBGPH-HNNXBMFYSA-N 326.396 2.712 0 50 EFAA C[C@@H]1C[C@H](C(=O)Nc2cccc3c2OC(C)(C)C=C3)O[C@H]1C(=O)O 864195018 VYQWCNMKORSVBY-LERXQTSPSA-N 331.368 2.688 0 50 EFAA COc1ccccc1Cc1noc([C@@H](C(C)C)N2CCCC2=O)n1 952881972 IGLCHICBFODVAC-QGZVFWFLSA-N 329.400 2.989 0 50 EFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C2CCCC2)C1 1875266234 MDZINTJXFNUEKI-QZTJIDSGSA-N 344.455 2.992 0 50 EFAA OC[C@@H]1CCCN1Cc1ccccc1CN=c1cc[nH]c2cnccc12 1875252922 NKGOANJDQVRTBP-SFHVURJKSA-N 348.450 2.621 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccccc2)oc1C(=O)O 1875277201 DLLDUAFGNMQOQU-AWEZNQCLSA-N 328.368 2.685 0 50 EFAA Cc1[nH]nc2c1C[C@@H](C(=O)OCc1nc(-c3ccccc3)no1)CC2 1875293186 GCSOEKRGFYTJQQ-ZDUSSCGKSA-N 338.367 2.616 0 50 EFAA C[C@@H](C(=O)N1[C@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1cn(C)c2ccccc12 1875286534 XQSVFCUNSAWUMU-ZHRONYKTSA-N 326.396 2.746 0 50 EFAA COc1ccc([C@H](CO)N(C)C(=O)c2cc(C(=O)O)ccc2C)cc1 1875272643 BRWYRXWJFCUUHE-KRWDZBQOSA-N 343.379 2.507 0 50 EFAA Cc1ccc(C(=O)NCc2nnc(C(F)(F)F)s2)c(Cl)n1 1875387247 XFMIQDREYRRRNJ-UHFFFAOYSA-N 336.726 2.844 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)CC1 1875365330 PQIWJAUIFAVYEQ-AWEZNQCLSA-N 348.393 2.705 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(C)OC4(CCCC4)C3)n[nH]c21 1875393714 LVOQWNHZUGQHBO-OLZOCXBDSA-N 347.459 2.996 0 50 EFAA CC[C@@H](C)c1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952981585 SMMFPIPDLNMCKR-LHKMKVQPSA-N 328.456 2.788 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc21 131996257 QYUYTOVUCMIOMD-VIFPVBQESA-N 336.141 2.871 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cccc(F)c2F)cn1 886078517 ZEXXEWKTTQYMCB-MEDUHNTESA-N 335.354 2.689 0 50 EFAA CC(=O)N1CCC[C@H](c2nnc(-c3cccc4c3OCCO4)o2)[C@@H]1C 886084677 YGYBUBZUCCALBX-AAEUAGOBSA-N 343.383 2.622 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CNC(=O)C2 276748105 DRGDVRNEYSTKQV-UHFFFAOYSA-N 335.835 2.514 0 50 EFAA CCO[C@H]1CCN(C(=O)NCc2cccc3c2CCOC3)C[C@H]1C 633501070 PDLSRWAPYWXDLF-KDOFPFPSSA-N 332.444 2.716 0 50 EFAA CCc1onc(C)c1-c1nc(CC(=O)Nc2ccccc2OC)no1 170599481 MINSCLCYTQAAJE-UHFFFAOYSA-N 342.355 2.785 0 50 EFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(C)c(=O)c1 187045446 BOHAZJVZQDNGDL-MLGOLLRUSA-N 346.814 2.641 0 50 EFAA O=C(c1cccc(O)n1)N1CCCN(Cc2ccc(Cl)cc2)CC1 279183215 IPRHOXGKKCOHJM-UHFFFAOYSA-N 345.830 2.789 0 50 EFAA CCN(CCCN(C)C)S(=O)(=O)c1cc(C)c(F)cc1Cl 170606665 COEJOLKCUMWYOL-UHFFFAOYSA-N 336.860 2.750 0 50 EFAA O=C(O[C@H]1CCOC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623088 QCUYTEPFIQTUDC-JTQLQIEISA-N 328.246 2.701 0 50 EFAA O=C(COc1ccccc1F)NC1CCC(Oc2cnccn2)CC1 188276733 COXBRJPTPZNDSD-UHFFFAOYSA-N 345.374 2.501 0 50 EFAA CC(C)C1CCC(N2CCN(CCN3CCO[C@H](C)C3)CC2)CC1 192755195 UMELZGGETZQURT-XEVCZEQESA-N 337.552 2.540 0 50 EFAA NC(=O)c1csc(NC(=O)Cc2cccc(Cl)c2Cl)n1 194150268 DRZCLNZNGNXJPE-UHFFFAOYSA-N 330.196 2.730 0 50 EFAA C[C@@H]1CN(c2nc(O)c3c[nH]nc3n2)CCc2ccc(Cl)cc21 651411038 IYDUIJMSVGVTHY-SECBINFHSA-N 329.791 2.878 0 50 EFAA CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCCc3cccnc31)O2 194834350 QQDMZFUPGMWQQU-SXOSEBPOSA-N 344.455 2.940 0 50 EFAA CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(=O)O)o1 656724693 PIBFOMVIBITHSB-UHFFFAOYSA-N 341.360 2.718 0 50 EFAA Cc1ccc(N2CCC(N3CCN4C(=O)OC[C@@H]4C3)CC2)cc1Cl 1506431299 HMMDBKVRWZDULZ-INIZCTEOSA-N 349.862 2.754 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(CC(C)C)CC2)OCC(=O)N1C 1529099500 YULIWLZCRQFSBA-MSOLQXFVSA-N 344.455 2.588 0 50 EFAA Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1 421414 ONOQYBWBBCENJP-UHFFFAOYSA-N 342.424 2.792 0 50 EFAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@H](O)[C@@H](F)C1 1615751017 YROWYUSPRGWKOX-WPRPVWTQSA-N 326.677 2.905 0 50 EFAA Cc1c(C(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)[nH]c2ccc(Cl)cc12 1772708658 DVDRVLLLCGEZGH-DGCLKSJQSA-N 345.830 2.965 0 50 EFAA C[C@H]1CCCCN1C1CN(c2nnc(CSc3ccncc3)o2)C1 1772706443 SABHCYSLZUSRQI-ZDUSSCGKSA-N 345.472 2.820 0 50 EFAA COc1cc(C)ccc1OCc1nc(C(=O)N2CCCCO2)co1 12055840 XTSJVQCOQOYRIF-UHFFFAOYSA-N 332.356 2.738 0 50 EFAA CCOCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 2846634 CXGOAOLUPTVYNK-UHFFFAOYSA-N 348.428 2.921 0 50 EFAA COc1cc(CNCCCN2CCOCC2)ccc1OC1CCCC1 4869898 ATCJBMNBZZNNKN-UHFFFAOYSA-N 348.487 2.829 0 50 EFAA O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC[C@@H]1CCCO1 5928506 QBNLMXQRPLAJKP-JTQLQIEISA-N 325.821 2.604 0 50 EFAA Cc1csc(CCN(C)C(=O)c2ccc(C(N)=O)c(Cl)c2)n1 1857531646 JPBKQFRBEHGWQC-UHFFFAOYSA-N 337.832 2.519 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1nc2ccccc2[nH]1 1857679488 WQWMMKIDJZXZDR-IOHHAYIISA-N 341.411 2.740 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(C(=O)C1CC=CC1)C[C@@H]2C(=O)O 1857685003 NDCNUWSXGRYTKY-QGZVFWFLSA-N 346.471 2.544 0 50 EFAA COCCn1cnnc1[C@@H](C)n1ccnc1-c1ccc2ncccc2c1 1857689421 PMTCYFXKTNFDHG-CQSZACIVSA-N 348.410 2.946 0 50 EFAA C[C@H]1CN(C)CC[C@@H]1n1ccnc1-c1ccccc1OCC(=O)O 1875244838 WTPZKSWODBVOCB-ZFWWWQNUSA-N 329.400 2.526 0 50 EFAA CS(=O)(=O)c1cccnc1C(=O)N1CCC[C@@H](c2ccccc2)C1 413814586 GCBMORPBHKKSAV-OAHLLOKOSA-N 344.436 2.505 0 50 EFAA Cc1ccsc1-c1nsc(NC(=O)NC[C@@H]2CC[C@@H](O)C2)n1 225595956 GENMRVXPUMASQC-NXEZZACHSA-N 338.458 2.858 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2cccc(C)c2Cl)n1 331984148 BPHWOJLETJVLNM-BZNIZROVSA-N 349.818 2.871 0 50 EFAA C[C@@H]1CCN(CCOc2ccc(NC(=O)[C@H]3CCCOC3)cc2)C1 245343959 WQABZQZPXXKHAJ-CVEARBPZSA-N 332.444 2.772 0 50 EFAA CC[C@H](CCO)NC(=O)c1cc2sc(N3CCCC3)nc2s1 684462104 VOBBMKQAOHVAPI-SNVBAGLBSA-N 339.486 2.849 0 50 EFAA O=C(c1ocnc1C1CC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 368131501 MZIARJOIUXANMY-CVEARBPZSA-N 326.396 2.790 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)c1ccc2c(c1)OCCO2 262248822 VEZQXRANFSASCR-GFCCVEGCSA-N 341.363 2.576 0 50 EFAA C[C@]1(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCCOC1 263518323 FVBANKJHDQCWTR-HNNXBMFYSA-N 327.764 2.559 0 50 EFAA Cc1nn(Cc2ccccc2)c(Cl)c1CN1CC(=O)N(C)[C@H](C)C1 800480731 SLZLLWWAZBFXLH-CYBMUJFWSA-N 346.862 2.556 0 50 EFAA O=C(O)c1nn(-c2ccccc2)cc1CN1CC[C@@H](c2cccnc2)C1 902126397 WNKJUBFBTIEMFT-MRXNPFEDSA-N 348.406 2.955 0 50 EFAA Cn1cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c(C2CCCC2)n1 907062734 KEGDQZXLHSCUON-GFCCVEGCSA-N 347.431 2.934 0 50 EFAA Cn1c(=O)c(CNC[C@@](C)(O)c2ccsc2)cc2ccccc21 1656552632 WVEZCJUUKPWIAS-GOSISDBHSA-N 328.437 2.597 0 50 EFAA CC(C)Oc1ccc2nccc(N3CCO[C@@](C)(C(=O)O)C3)c2c1 910478347 BVAFEMFATJXUGE-GOSISDBHSA-N 330.384 2.702 0 50 EFAA O=C(Nc1cnns1)N1Cc2ccccc2OC2(CCOCC2)C1 930998459 RRBWXJZEIWQDHD-UHFFFAOYSA-N 346.412 2.514 0 50 EFAA Cc1nc2n(n1)C[C@H](NC(=O)c1ccnc3cc(Cl)ccc13)CC2 931656571 UXGSKBCLFCUOQB-GFCCVEGCSA-N 341.802 2.533 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 856376995 OFLPMNUNNDRYAK-SNVBAGLBSA-N 325.409 2.531 0 50 EFAA COc1cc(OC)c(C(=O)NCCOc2ccccc2)cc1OC 2875633 BPFMVWKQOZKGJP-UHFFFAOYSA-N 331.368 2.521 0 50 EFAA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@H](c3ccccc3)C1)CCC2 2325806015 MBQJUWTTZHUNFQ-WBVHZDCISA-N 325.412 2.738 0 50 EFAA COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1 30140 LLGXFXYEAPFOKB-UHFFFAOYSA-N 331.368 2.902 0 50 EFAA biogenic,in-vitro O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1 615993 XKFHSFUEFMEKCM-UHFFFAOYSA-N 340.354 2.518 0 50 EFAA O=Cc1c(-c2ccc(I)cc2)nc2ncccn12 4237864 XHILYFKTTMJFSU-UHFFFAOYSA-N 349.131 2.813 0 50 EFAA COc1cccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)c1 6697048 VXAAXYAOJBAZIK-UHFFFAOYSA-N 349.346 2.584 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)OCCO3)c1 7801466 PTZCVKUZCZBNEH-UHFFFAOYSA-N 327.336 2.805 0 50 EFAA CCN(C(=O)NCCNC(=O)c1ccco1)c1ccc(F)c(F)c1 225505845 CICQJQOTPUXYJL-UHFFFAOYSA-N 337.326 2.524 0 50 EFAA CN(C)c1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)ncn1 225679954 PVVZVIURZMXWBJ-OAHLLOKOSA-N 325.416 2.782 0 50 EFAA Cn1nc(C(=O)N(Cc2ccccc2F)C2CCCCC2)ccc1=O 171747778 VHHAZPFCHNGAQK-UHFFFAOYSA-N 343.402 2.895 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N3CCc4ccccc43)C2=O)cc1 100120870 VZDACVSJIDYFIK-SFHVURJKSA-N 336.391 2.780 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1C[C@H]2CC[C@H]1C2 248262239 RCBSENYNYHCICC-NBFUAULTSA-N 330.428 2.569 0 50 EFAA CCc1ncc2c(n1)CN(c1ncccc1C(=O)N1C[C@H]3CC[C@@H]1C3)C2 67805297 RCBUSJMEXBTZJD-DZGCQCFKSA-N 349.438 2.579 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CC2=CCCCC2)C1 347945125 JJSFNEZMLDTGLF-KBPBESRZSA-N 332.366 2.935 0 50 EFAA Cc1cc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)n2ncnc2n1 110627405 QJLQQKPCMNBFNY-CZUORRHYSA-N 342.472 2.989 0 50 EFAA COc1cccc(Cl)c1-c1cc(C(=O)N2CCN(C)CC2)ccn1 65406752 OGNKOAYXFBBALI-UHFFFAOYSA-N 345.830 2.798 0 50 EFAA Cc1sc(=O)n(CC(=O)NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1C 230278771 QRADERJMKVHLSU-LZLYRXPVSA-N 342.464 2.619 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O 65371258 WYAIKHBZEJCVCE-GFCCVEGCSA-N 336.413 2.713 0 50 EFAA C[C@@H](O)CCNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67784860 KUSREIYSHYRHCM-CYBMUJFWSA-N 344.411 2.633 0 50 EFAA Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@H]1CCCC[C@@H]1O 281352078 OIJASSVYPPOHBA-YOEHRIQHSA-N 328.416 2.821 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2csc(C)n2)n1C 328626315 FABQBTBSPUDTNC-OAHLLOKOSA-N 332.473 2.877 0 50 EFAA Cc1noc([C@@H](NCc2ccc3c[nH]nc3c2)C2CCOCC2)n1 328627926 NDYASAHCISSISN-INIZCTEOSA-N 327.388 2.512 0 50 EFAA Cc1ccccc1Cn1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cn1 205176 FXDHGAUQECTXSQ-IRXDYDNUSA-N 339.395 2.845 0 50 EFAA Cn1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 12577581 OYQQLKFEWLFMGJ-GOSISDBHSA-N 333.863 2.891 0 50 EFAA CN(C)CC(C)(C)CNC(=O)c1cc(-n2cccn2)ccc1Cl 215961494 GSMDVJHGRNPNIX-UHFFFAOYSA-N 334.851 2.843 0 50 EFAA CN1CCC[C@H](CNC2=NCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 253426483 IYXPIOIHCCAWPR-UKRRQHHQSA-N 340.393 2.637 0 50 EFAA CCCCc1nc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)c(Cl)[nH]1 77322090 HGQCQJHZXSOOAT-UONOGXRCSA-N 340.899 2.998 0 50 EFAA COc1ccc(CC2CCN(C(=O)[C@@H](O)c3cccnc3)CC2)cc1 363514884 ZBKAHLPLLLUGDS-IBGZPJMESA-N 340.423 2.605 0 50 EFAA C[C@H](CCO)NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 155471389 OVCADUIBYYQMQE-HQJQHLMTSA-N 326.265 2.638 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COCc2ccccc2)c1 282498127 MZDWENRZBFCDLM-PKOBYXMFSA-N 341.407 2.546 0 50 EFAA Cc1ccccc1C1(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CCCCC1 282448466 JZPSDNUPECKREQ-MRXNPFEDSA-N 349.496 2.842 0 50 EFAA COc1ccc([C@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 237307028 IHVXUWBVPLDZBE-UGSOOPFHSA-N 339.391 2.837 0 50 EFAA O=C(CN1CCC(c2ccccc2)CC1)N1CC(c2cccnc2)C1 72161122 POHOQVKRHFZUME-UHFFFAOYSA-N 335.451 2.887 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 333937000 LAYJEEPPJFHYGO-WDYCEAGBSA-N 331.460 2.977 0 50 EFAA O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(CCO)CC1 370081522 GSKMWFHEHVHTBE-LJQANCHMSA-N 330.472 2.776 0 50 EFAA Cc1ccc(-c2cc(CNC(=O)c3ccc4[nH]nnc4c3)no2)cc1 218948588 RCBUNQLLTDGQHY-UHFFFAOYSA-N 333.351 2.851 0 50 EFAA O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(O)nc1 129636828 XMOWXMPFDBVUEP-CYBMUJFWSA-N 331.347 2.770 0 50 EFAA Cc1cccc(OC2CCN(C(=O)CCc3nc(Cl)n[nH]3)CC2)c1 77357352 UYLCFRSUMRRIQI-UHFFFAOYSA-N 348.834 2.769 0 50 EFAA O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H]2CNCCC[C@@H]21 373559935 JJRYUYOZRVQQHA-WFASDCNBSA-N 330.457 2.742 0 50 EFAA CCCc1ncncc1C(=O)N1CCC[C@@H](c2nccn2CC)C1 215767686 IHXHEUNAIODYPS-CQSZACIVSA-N 327.432 2.665 0 50 EFAA Clc1ccc(CN2CCC[C@@H]2c2ncc[nH]2)c(-n2cncn2)c1 376023229 WTTFZDPTEPHIAL-CQSZACIVSA-N 328.807 2.981 0 50 EFAA CO[C@@H](CN(C)C1CCN(c2cnccn2)CC1)c1ccccc1 242191378 XFAIOHOSZOHJIL-SFHVURJKSA-N 326.444 2.765 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCc2c(F)cccc21 184533704 IRWJPENTFOXMAD-NSHDSACASA-N 330.407 2.879 0 50 EFAA COCCCN(C(=O)Cc1cc(C)ccc1C)C1CCN(C)CC1 72463481 QFCGWRDZINUUCH-UHFFFAOYSA-N 332.488 2.805 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223560104 DRWHSQHOYKALOS-WBCYEJBOSA-N 343.423 2.668 0 50 EFAA Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(C(N)=O)o2)c1 174937666 DHIFOEYDXKUUSX-OAHLLOKOSA-N 327.384 2.734 0 50 EFAA CC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)C1CC(O)C1 223436035 QVCKJMSIXJYNED-YMAMQOFZSA-N 329.444 2.778 0 50 EFAA Cc1ncsc1CCC(=O)NCCc1cnn(-c2ccccc2)c1 82099779 FTWAPYFYDRUYLA-UHFFFAOYSA-N 340.452 2.929 0 50 EFAA Cc1csc(SCC(=O)N(C)Cc2n[nH]c3c2CCCC3)n1 220399740 SQEYUNJMCRGZKW-UHFFFAOYSA-N 336.486 2.804 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cccnc3)C2)n(C)n1 82106842 BBSYKVXHBOCQGM-OAHLLOKOSA-N 340.427 2.674 0 50 EFAA C[C@H](Oc1ccc(CN2CCN(CC3CCCC3)CC2)cc1)C(=O)O 220416921 TZXUTCCLANZYPY-INIZCTEOSA-N 346.471 2.846 0 50 EFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(OC)c2)CC1 47976969 MERDUYACRLDRMC-UHFFFAOYSA-N 333.432 2.808 0 50 EFAA CCN(Cc1ccncc1)C(=O)N[C@@H]1COc2ccc(F)cc2C1 290949046 LTLMXCBZMWVUSD-INIZCTEOSA-N 329.375 2.756 0 50 EFAA O=C1CCC[C@@H](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)N1 289681487 LIOMAWBUKTTWON-NSHDSACASA-N 325.290 2.967 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)CCOc1ccccc1 82145947 GFJROSSLTVFIKD-UHFFFAOYSA-N 338.367 2.559 0 50 EFAA CC(=O)c1ccc(C(=O)NCCSc2nnc(C)s2)s1 223423066 MXUHOZPKXAJHGQ-UHFFFAOYSA-N 327.456 2.633 0 50 EFAA CC(C)n1cc2cc(NC(=O)N(C)[C@@H](C)C[S@](C)=O)ccc2n1 161249329 WXPVSEGRZLAJOQ-DAOPMYJZSA-N 336.461 2.848 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95356970 KQFMIUNKFIKHGF-KRWDZBQOSA-N 332.423 2.694 0 50 EFAA CSCCc1nc(C2CCOCC2)nn1-c1nc2ccccc2[nH]1 96164640 BDOONCKGHGLNBC-UHFFFAOYSA-N 343.456 2.943 0 50 EFAA CCNC(=O)N1CCC[C@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 23250948 IGGHSTMAQFFYNR-ZDUSSCGKSA-N 331.395 2.526 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91746555 JIIASPKUNAQWBN-MRXNPFEDSA-N 335.411 2.674 0 50 EFAA CCc1ccccc1OC1CN(C(=O)c2ccccc2-c2nc[nH]n2)C1 97259143 HIELUKIJGCZSTC-UHFFFAOYSA-N 348.406 2.938 0 50 EFAA COc1cccc(-c2cnn(C)c2N)c1C(=O)N(C(C)C)C(C)C 96130618 KOZYZTJQWWDZKR-UHFFFAOYSA-N 330.432 2.937 0 50 EFAA C[C@@]12NC(=S)N[C@@H](c3ccccc3O1)[C@H]2C(=O)c1cccs1 390834916 RIBCPTAYFFNPQG-HEHGZKQESA-N 330.434 2.875 0 50 EFAA COc1ccc(S(=O)(=O)N2CC[C@H](O)CC(C)(C)C2)cc1Cl 295218997 AWYZEXXDWPWOIZ-NSHDSACASA-N 347.864 2.520 0 50 EFAA CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cc(C)ccn1 299777916 PDPYAHFVBZZOST-QGZVFWFLSA-N 345.487 2.992 0 50 EFAA CC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccncc1 822662183 VTALOKDBVMSNCP-QGZVFWFLSA-N 325.412 2.799 0 50 EFAA Cc1ccccc1NC(=O)CCNC(=O)CSc1ccncc1 827846355 MRCRKNCQLZPZRL-UHFFFAOYSA-N 329.425 2.627 0 50 EFAA Cc1nc(CNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)cs1 828595598 BVYRXYOAJCGYLZ-GFCCVEGCSA-N 330.331 2.820 0 50 EFAA COc1ccc2nc(CNC(=O)CCc3scnc3C)[nH]c2c1 670469721 YRSMVWSUWCGNBI-UHFFFAOYSA-N 330.413 2.585 0 50 EFAA COC(=O)[C@@H](CNC(=O)[C@@H](C)c1ccc(F)cc1)Oc1ccccc1 1875274392 CYGSKLAPSZJRPW-SUMWQHHRSA-N 345.370 2.666 0 50 EFAA COc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)cnc2C)cc1F 1875274097 GVVZAVANUSIRPF-JTQLQIEISA-N 345.374 2.987 0 50 EFAA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](CC(=O)O)c3ccccc32)cn1 1875291727 JVSMIPFZKPKGLJ-RCBQFDQVSA-N 339.395 2.519 0 50 EFAA CNC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)c(C)c1 952987640 NRLBZGHEVCRMJF-UHFFFAOYSA-N 342.395 2.553 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)c1snnc1C(C)C)OCCO2 952971260 CXBUEIFRCJVPPT-UHFFFAOYSA-N 347.396 2.888 0 50 EFAA CN(C)[C@@H](CC(=O)NCc1cnn(CC2CCC2)c1)c1ccccc1 887358818 SYCPISBLZXVZJA-IBGZPJMESA-N 340.471 2.992 0 50 EFAA COc1ccc2c(c1)CC[C@@H]2C(=O)N=c1cc[nH]cc1OC(C)C 889957061 FMVMALAFOFEJKS-INIZCTEOSA-N 326.396 2.968 0 50 EFAA Cc1cc2scc(CC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)c2s1 887940457 QUTDGZYQXZVYFC-SJCJKPOMSA-N 348.493 2.928 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)nc(CO)n3C)Cc2ccccc21 1337315715 WEIAQKVJGGQBBK-CYBMUJFWSA-N 335.407 2.825 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 1775959077 FHPHOYPYPZDONV-AALSBFMBSA-N 347.459 2.873 0 50 EFAA COC(=O)c1sc(Br)cc1NC(=O)C[C@@H]1CCOC1 1775997889 OMFDIPMCXOEOIK-ZETCQYMHSA-N 348.218 2.662 0 50 EFAA O=C(CCn1cccn1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275788575 UAIBGTHHCAKKQV-MRXNPFEDSA-N 344.484 2.506 0 50 EFAA Cc1cnc(C)c(N2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 277450308 PGJFTOFXJFTTMI-INIZCTEOSA-N 348.491 2.726 0 50 EFAA C[C@@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)c2c(O)cccc21 186310950 QEEIKNBEMMMUPC-LLVKDONJSA-N 335.363 2.783 0 50 EFAA C[C@@H]1CC[C@@H](NC(=O)NCc2ccnc(N3CCOCC3)c2)[C@H](C)C1 169985858 HCLSOVLMEAFPOR-BFYDXBDKSA-N 346.475 2.542 0 50 EFAA CSCC[C@@H](NCc1ccc(Br)cc1F)C(=O)O 170612829 IZTOGPKOMSSKCT-LLVKDONJSA-N 336.226 2.884 0 50 EFAA C[C@](NCc1cncc(F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 280185964 HMQNKWSWBGQJGJ-OAHLLOKOSA-N 341.308 2.730 0 50 EFAA Cc1ccccc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 188174241 USQWACXAUJNUNK-OAQYLSRUSA-N 338.451 2.704 0 50 EFAA CC(C)(N)c1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)on1 638467788 PSFDACGHBHYEEX-UHFFFAOYSA-N 347.390 2.691 0 50 EFAA OCC1CCN(c2ccc(Cl)cc2NCc2ncccn2)CC1 190390177 DSFMCHBOCOOCSZ-UHFFFAOYSA-N 332.835 2.951 0 50 EFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CCCN2Cc2ccccc21 192194964 ZAMZRLJMFIAKEM-AWEZNQCLSA-N 329.350 2.985 0 50 EFAA O=C([C@@H]1CCO[C@H]1c1ccncc1)N1CC[C@H](Cc2ccncc2)C1 649916466 ARVUAXBSUKMYFB-QRQLOZEOSA-N 337.423 2.645 0 50 EFAA COc1ccnc(C(=O)N[C@H](CC(=O)O)c2cccc(Cl)c2)c1 761895199 BDLFFDIZQHYDSV-CYBMUJFWSA-N 334.759 2.689 0 50 EFAA CCc1nccn1C[C@H](C)NCc1nc(-c2ccccc2F)no1 1506412876 FUXGGUNATPFJME-LBPRGKRZSA-N 329.379 2.813 0 50 EFAA CN(Cc1cccc2ncccc12)c1cncc(C(=O)N2CCCC2)n1 1529178051 GHZNZMJQMAILNM-UHFFFAOYSA-N 347.422 2.897 0 50 EFAA CCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 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O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCO[C@@]2(CCCOC2)C1 935917138 VSNMNOLLZDPERM-FQEVSTJZSA-N 340.423 2.627 0 50 EFAA CN(CCC1CCCCC1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325701012 NKGTUSJEEQYQPF-UHFFFAOYSA-N 343.427 2.531 0 50 EFAA Cc1c(C(=O)N2CC[C@H](Cc3ccccc3F)C2)cnc2ccnn12 2325810395 IOKWWPGMJNHJAK-CQSZACIVSA-N 338.386 2.882 0 50 EFAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 345207 PRNQYJABDVJICK-UHFFFAOYSA-N 325.773 2.547 0 50 EFAA Cc1ccc(-c2nc(CN3CCC[C@]34CCCN(C)C4=O)no2)cc1 2356147613 FJPUCCDCNOZLCT-IBGZPJMESA-N 340.427 2.632 0 50 EFAA CCCC(=O)N1CCC[C@@H](c2nc(Cc3csc(C)n3)no2)C1 225556018 FNCJOKOUVRNZQJ-GFCCVEGCSA-N 334.445 2.931 0 50 EFAA C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H](C)S(C)(=O)=O)C1CC1 112786412 LDDSVYLRTUDMJO-WDEREUQCSA-N 329.849 2.825 0 50 EFAA Cc1noc(C)c1CNC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 343385171 BYVSWIRNIOKBKU-HNAYVOBHSA-N 343.475 2.730 0 50 EFAA Cc1cc2ccccc2n1CCC(=O)NCCSc1nccn1C 55252435 QOUZVASTGNAWMD-UHFFFAOYSA-N 342.468 2.982 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1 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CSc1ccccc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 172759643 NACDSQBMDAUDLM-CYBMUJFWSA-N 330.457 2.541 0 50 EFAA CC[C@H]1CN(C(=O)c2ccc(SCCO)cc2)CCN1C(C)C 77355487 PQYUNHMSIHYKSH-INIZCTEOSA-N 336.501 2.716 0 50 EFAA CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@H](N)C[C@H]2C)c1Cl 236733663 AMWGCDGZWZEMND-WDYNUWJLSA-N 338.883 2.996 0 50 EFAA COc1ccc(CC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)nc1 339516782 SOWJLUUPXJVHCA-AWEZNQCLSA-N 345.468 2.600 0 50 EFAA CCn1cccc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c1=O 333393994 MOUZJQRHKMDMNH-MRXNPFEDSA-N 345.443 2.681 0 50 EFAA O=C(Nc1ccc(C2CC2)nn1)N1CCO[C@@H](c2cccc(F)c2)C1 333520441 GWEHHNOULDKBII-MRXNPFEDSA-N 342.374 3.099 0 50 EFAA COc1cc(Cl)cc(CN2CC[C@H](NC(C)=O)C2)c1OC(C)C 215683408 FOVHITYJIWDWRM-HNNXBMFYSA-N 340.851 2.846 0 50 EFAA O=C(c1cccs1)c1ccccc1C(=O)N1CCC[C@H](C(=O)O)C1 238075427 PGCDFYKTFNDFSA-LBPRGKRZSA-N 343.404 2.916 0 50 EFAA CN(C)CCOc1ccccc1CN1CCN(CC2CCC2)CC1 219935759 FBDLYVRFJPPCAR-UHFFFAOYSA-N 331.504 2.545 0 50 EFAA CC[C@H]1[C@@H](CO)CCN1CC(=O)Nc1ccccc1C(F)(F)F 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EFAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)c(=O)[nH]c1C 91551666 WRVVFOKBKVRXNE-CYBMUJFWSA-N 344.436 2.788 0 50 EFAA O=C(COCc1ccccc1)N1CCC[C@@H](OCc2cccnc2)C1 91380706 WPRWKFVBEHYIRK-LJQANCHMSA-N 340.423 2.806 0 50 EFAA O=C(CCc1ccncc1)N1CCN(C/C=C/c2ccccc2)CC1 97446861 JRHJUEJNPYJLFO-QPJJXVBHSA-N 335.451 2.872 0 50 EFAA COc1cc(NC(=O)N[C@@H](C)C2=CCCCC2)cc(-n2cnnn2)c1 96140942 HOIRFPJEXIPLDI-LBPRGKRZSA-N 342.403 2.681 0 50 EFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)[nH]c(C(=O)O)c2C)c1 426442536 LEZMGMILBVVYQT-SNVBAGLBSA-N 346.383 2.838 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCCc2noc(-c3ccccc3)n2)C1 95382536 CWOLNHLCGIWIKF-LJQANCHMSA-N 342.443 2.517 0 50 EFAA Cc1noc(C)c1C(=O)N1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 180337192 JTVFEZKZECFPFE-LSDHHAIUSA-N 328.368 2.622 0 50 EFAA O=C(NC(=O)C1(c2ccccc2)CCC1)OCCN1CCCCC1 96027468 QXRWIKHCQALHGX-UHFFFAOYSA-N 330.428 2.847 0 50 EFAA CC1CCN(CC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)CC1 95365617 RFODDCIEOTUYQB-SFHVURJKSA-N 344.455 2.823 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)N(C)Cc2snnc2C)c1 91574367 RHXZRSAEWXGJDO-UHFFFAOYSA-N 343.412 2.517 0 50 EFAA COc1ccc(NC(=O)NCCN2CCCc3ccccc32)cn1 96132304 XIUAWZSPSRTOFR-UHFFFAOYSA-N 326.400 2.665 0 50 EFAA CCc1nc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)n[nH]1 295375741 PAMLPTHSYIQZHT-UHFFFAOYSA-N 345.790 2.914 0 50 EFAA C[C@H](Cn1cncn1)NC(=O)c1cc(N2CCCCC2)ccc1Cl 244633141 FXLRNZPQPWCQJA-CYBMUJFWSA-N 347.850 2.740 0 50 EFAA CC(=O)O[C@H]1[C@H]2[C@@H]3CC[C@H]4C(=O)[C@@H]5[C@@H]([C@H]2[C@@H]2[C@@H]5[C@H]5CCC[C@H]5[C@@H]12)[C@H]43 253489982 HAOHESPLFDLASP-ZUPZSHHPSA-N 326.436 2.927 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 299742439 IAOYTNYLZXQHTM-LBPRGKRZSA-N 325.792 2.822 0 50 EFAA COc1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C(C)C)[nH]n2)ccn1 299744291 RVCLAGUILFPPAM-SUMWQHHRSA-N 344.415 2.587 0 50 EFAA O=C(NCC[C@H]1CCCOC1)Nc1ccc(-n2cncn2)c(Cl)c1 299771242 UTCGZSGZRALRPZ-GFCCVEGCSA-N 349.822 2.859 0 50 EFAA C[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1cccc2ccccc12 828000409 XMABCDYVHHTIOB-ZDUSSCGKSA-N 325.412 2.998 0 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COc1cc(C(=O)NC[C@H](O)CCC2CC2)sc1Br 1875299668 RJIHSXQQFDHTRF-SECBINFHSA-N 348.262 2.800 0 50 EFAA Cc1ncnc(C)c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 952985672 CPLSAQNPRKWATL-MRXNPFEDSA-N 327.384 2.904 0 50 EFAA Cc1ccc(OC2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc1 952873208 IOFICLJCPSRHEC-UHFFFAOYSA-N 339.363 2.725 0 50 EFAA CCC(=O)N[C@H](C)C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952962301 BVLWVUQJSMEBHQ-CYBMUJFWSA-N 340.427 2.688 0 50 EFAA CC(C)(C)n1nc(COc2cccc(F)c2)nc1[C@H]1CCC(=O)N1 952869367 HUWCJECXCDOSEC-CYBMUJFWSA-N 332.379 2.702 0 50 EFAA C[C@@H]1COCCN1C1CCN(c2ccncc2C(F)(F)F)CC1 882539595 BCZDSAMFFMFWGX-GFCCVEGCSA-N 329.366 2.790 0 50 EFAA CNc1snc(C)c1C(=O)NCC(F)(F)C1(O)CCCCC1 891352040 QAMHGKQECKBKPH-UHFFFAOYSA-N 333.404 2.554 0 50 EFAA CCc1ncnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1F 270562861 LQZMPPQSBZZMQF-UHFFFAOYSA-N 344.438 2.727 0 50 EFAA CC(C)N1CC[C@H](CCNC(=O)c2cc(-c3cccnc3)on2)C1 1418905447 RUCCUHNZFTWKBV-AWEZNQCLSA-N 328.416 2.587 0 50 EFAA CCC1([C@@H](CN)N2CCC[C@@]23CCOC3)CC1 97370246 ODUYNOQEUBEHFE-UHFFFAOYSA-N 238.375 1.759 0 50 EFAA CN(CCO)Cc1cc(NC(=O)CCc2ccccn2)ccc1Cl 408516081 LPTSWZOAKAWBGV-UHFFFAOYSA-N 347.846 2.730 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2c1OC(C)(C)C2 275593527 PVRSFCAQTRSDQF-RDJZCZTQSA-N 327.428 2.753 0 50 EFAA COc1ccc(-c2noc(N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)n2)cc1OC 169994528 PWTZIQMXVDLSSP-DFBGVHRSSA-N 345.399 2.979 0 50 EFAA COCCN(Cc1cccs1)S(=O)(=O)c1ccccc1OC 170055621 HGFUJLSFNGEUGY-UHFFFAOYSA-N 341.454 2.594 0 50 EFAA CC[C@H]1CCCN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 170620805 IHSYXTVPAOGFDN-KRWDZBQOSA-N 330.428 2.953 0 50 EFAA CO[C@@H](C)c1cccc(NC(=O)N2CCC(c3nncn3C)CC2)c1 171176068 WEXDFINUORXIMH-ZDUSSCGKSA-N 343.431 2.934 0 50 EFAA CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CCO[C@H]2CCC[C@H]21 280497900 BBSHIWSEJKPGPC-VDNDLQMASA-N 336.407 2.865 0 50 EFAA O=C(NCc1ccc(Br)cc1)N[C@@H]1CCC[C@@H]1CCO 187044704 DXDIYYNBXANZIZ-TZMCWYRMSA-N 341.249 2.799 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CCCc3cccnc32)o1 192460913 NJASKWBXJPRXES-GOSISDBHSA-N 341.455 2.993 0 50 EFAA CC1=NN(c2ccc(C(=O)NCCc3c(C)nn(C)c3C)cc2)CC1 192583699 NJDYBPLRKZETRK-UHFFFAOYSA-N 339.443 2.595 0 50 EFAA CCOc1ccc(C(=O)N2CCC(NC[C@H]3CCC=CO3)CC2)cc1 194187004 AEPZBRIHSCMCLL-LJQANCHMSA-N 344.455 2.972 0 50 EFAA O=C(CCS(=O)(=O)[C@H]1CCCc2ccccc21)NC1CCCC1 194106814 CJNLRKBUTJBMGI-KRWDZBQOSA-N 335.469 2.928 0 50 EFAA CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2Cl)C1 652389858 KFGDGAVEULGGBN-QMTHXVAHSA-N 345.226 2.720 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 1772712916 VIZHVLWHLUKFAD-UZLBHIALSA-N 345.439 2.931 0 50 EFAA CC(C)(Oc1cccc2ccccc12)C(=O)N1C[C@H]2C[C@@H](O)[C@H]2C1 1772705640 KKNDBVYXGBITDS-HYVNUMGLSA-N 325.408 2.836 0 50 EFAA CN(C)c1ncc2c(n1)CCC[C@H]2NCc1cccn1-c1cccnc1 11937204 CVMHOMZETJPCIL-GOSISDBHSA-N 348.454 2.896 0 50 EFAA CCC(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1 12039889 FPNODUGUDOQRIC-UHFFFAOYSA-N 338.820 2.513 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12055684 WUAFFGMCGMNGFR-SJORKVTESA-N 334.391 2.541 0 50 EFAA COCCN[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 12160280 IYERHSQSMWVFSA-MRXNPFEDSA-N 328.460 2.842 0 50 EFAA C[C@H](CNCc1cccnc1N(C)C)Cc1ccc2c(c1)OCO2 12590032 MMZGEDJNTOSLSA-AWEZNQCLSA-N 327.428 2.845 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 17877035 MJQBHIWYEZOELD-TXEJJXNPSA-N 336.819 2.570 0 50 EFAA CN(C)CC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCO1 19637270 XBOGQHPXQDAWPI-INIZCTEOSA-N 331.485 2.963 0 50 EFAA COc1cccc(OC[C@H](O)CN[C@H](C)CC(C)(C)SC)c1 19884552 VCGPUPUUSGONAO-ZIAGYGMSSA-N 327.490 2.945 0 50 EFAA Cc1ccc(C)n1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 4866493 NQFKNULGDNETPQ-UHFFFAOYSA-N 325.290 2.833 0 50 EFAA CC[C@H](Oc1ccccc1OC)C(=O)N1CC(=O)Nc2ccccc21 4986393 SUALTDUQAJJQMA-HNNXBMFYSA-N 340.379 2.838 0 50 EFAA COc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1OC 1542891 HXLAFSUPPDYFEO-KRWDZBQOSA-N 345.439 2.584 0 50 EFAA world Cc1ccccc1-c1ncc(-c2nccn2CC[C@H](O)CO)s1 1857692113 PEVUMQOSDMXBMF-ZDUSSCGKSA-N 329.425 2.725 0 50 EFAA CC1(C)CCC(C)(C)c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 112002246 KHYGVEDZDRBWOB-CQSZACIVSA-N 349.496 2.953 0 50 EFAA Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C)n2C)o1 122518011 KDUVXGNVHNNRER-KRWDZBQOSA-N 336.395 2.965 0 50 EFAA CCC(=O)N1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 122970992 IJCDQBANYQXVRH-QAPCUYQASA-N 326.396 2.744 0 50 EFAA COc1ccnc(N2CCN(C(=O)NC3CCC4(CC3)CC4)CC2)c1 333185853 UESLJHQIIVHGRD-UHFFFAOYSA-N 344.459 2.645 0 50 EFAA C[C@@H](NC(=O)NCc1cccnc1OCC(F)F)c1cscn1 660968729 QAXKKUHZLOKSNP-SECBINFHSA-N 342.371 2.742 0 50 EFAA Cn1cc(-c2ccc(F)c(C(=O)NC[C@]3(C)CCCC[C@H]3O)c2)cn1 360409214 VACCWDJEGXVZPF-MJGOQNOKSA-N 345.418 2.897 0 50 EFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@H](c2ccc(Cl)s2)C1 375238397 CJOGIJFHFUULSC-NSHDSACASA-N 348.815 2.887 0 50 EFAA C[C@@](NC(=O)[C@@H]1CCCOC1)(C(=O)O)c1ccc(Cl)c(Cl)c1 263065780 QXHAYACBABZXTE-PSLIRLAXSA-N 346.210 2.836 0 50 EFAA O=S(=O)(Nc1ccc(Br)cn1)c1cc(F)ccc1F 6706684 KXAFZVMEMNOPLM-UHFFFAOYSA-N 349.156 2.923 0 50 EFAA Cc1ccc(-n2cc(CN(C)[C@H](CO)Cc3ccccc3)nn2)cc1 906314286 SSRDFVOXRWAFTG-FQEVSTJZSA-N 336.439 2.611 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)c1cccc2nc(C(F)F)[nH]c12 935482299 PLFPCCAGVOGEOV-UHFFFAOYSA-N 333.298 2.691 0 50 EFAA C[C@]1(CNc2nc(-c3ccccn3)nc3sccc23)CCC(=O)N1 858566107 KZMIOICGWTWWBX-QGZVFWFLSA-N 339.424 2.834 0 50 EFAA CC1(C)CC(=O)O[C@H]1CN=c1nc(-c2ccncc2)[nH]c2ccccc12 2325767393 DUXQCZQGBCEJSS-INIZCTEOSA-N 348.406 2.867 0 50 EFAA CC[C@H](CN(C)C)NS(=O)(=O)c1scc(Cl)c1Cl 2325789076 KEYOMFKHQZLRPO-SSDOTTSWSA-N 331.290 2.673 0 50 EFAA CC(=O)N1CCC[C@@H](CN(C)C(=O)c2ccc3cccnc3c2)C1 965834511 ONYIGIPWYBNDSF-HNNXBMFYSA-N 325.412 2.565 0 50 EFAA C[C@]1(c2cccc(OCc3cccc(Cl)c3)c2)NC(=O)NC1=O 78222 CBJGOIRUFDVWQR-QGZVFWFLSA-N 330.771 2.974 0 50 EFAA NC1=NC(=O)C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)S1 307448 OPNZXNDTLOAKIE-CQSZACIVSA-N 341.392 2.764 0 50 EFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1ccn[nH]1 55403054 GBJLRCHUENHRSQ-ZDUSSCGKSA-N 325.416 2.932 0 50 EFAA O=C1C[C@H]([C@@H]2CCCCN2C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CN1 225453249 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CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCc1ccoc1 328638462 WKRDDKZGYJLXOG-HKUYNNGSSA-N 327.428 2.759 0 50 EFAA CCOC[C@@H](NC(=O)Nc1cccc(N2CCOCC2)c1)C(C)C 252505114 VOMWJOBOSDVMRS-QGZVFWFLSA-N 335.448 2.706 0 50 EFAA Cc1ccnc([C@@H](NC(=O)CCc2c(C)nn(C)c2C)C2CC2)c1 65399082 JNUWYVDFAUNGNZ-IBGZPJMESA-N 326.444 2.940 0 50 EFAA O=C(O)c1cccnc1CN1CCC([C@@H](O)Cc2ccccc2)CC1 65372445 NJACPIZEYLJXJN-IBGZPJMESA-N 340.423 2.595 0 50 EFAA Cc1nn([C@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 2778360 LJZZSXDIJBCLSS-LLVKDONJSA-N 326.872 2.831 0 50 EFAA Cc1ccccc1Cn1cnc(NC(=O)c2ccc3c(c2)OCO3)n1 2800145 YYEFWQZYPAIKAD-UHFFFAOYSA-N 336.351 2.616 0 50 EFAA O=C(Cn1ccc(=O)c2sccc21)N1CCc2sccc2C1 172928906 LOWANRGYECTCPR-UHFFFAOYSA-N 330.434 2.709 0 50 EFAA CC[C@H]1CN(C(=O)c2csc(C(C)(C)C)n2)C[C@@]2(CCOC2)O1 330049021 JACJNZZTOBKKGY-YVEFUNNKSA-N 338.473 2.851 0 50 EFAA Cc1c[nH]c(CNc2nccc(CCC(F)(F)F)n2)c(C)c1=O 71747941 AEXGYRVIQYMHHX-UHFFFAOYSA-N 326.322 2.889 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 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339.403 2.745 0 50 EFAA C[C@@H](O)C[C@H]1COCCN1C(=O)Nc1ccc2c3c(cccc13)CC2 158122869 DEBURYQKMRZWIU-CJNGLKHVSA-N 340.423 2.942 0 50 EFAA COc1cc2c(cc1CN(C)[C@@H](C)Cc1cnccn1)OCCCO2 216235128 SNNJRQNMKFYYCW-AWEZNQCLSA-N 343.427 2.710 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 175864097 VQROPHQSRRBCEK-WBMJQRKESA-N 344.463 2.628 0 50 EFAA CO[C@@H](C)c1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 175507077 XLNXKGOTLPSKCC-JTQLQIEISA-N 338.454 2.840 0 50 EFAA CSCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 72145406 NETIHYCUKVDUQE-BHIYHBOVSA-N 330.497 2.747 0 50 EFAA CN(C)Cc1cc(NC(=O)c2cnn3cccnc23)ccc1Cl 337237786 CSHNPGSIDKBHPX-UHFFFAOYSA-N 329.791 2.697 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccn1 159865632 KJIHURAVBMHUBP-MRXNPFEDSA-N 326.352 2.953 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)c1ccccc1F 229558034 XLHWOVRNIBVICL-RCCFBDPRSA-N 334.435 2.725 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(F)(F)[C@H](CO)C2)c1 291262452 ODBJPKJFXWIBTI-AWEZNQCLSA-N 339.382 2.742 0 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CCC[C@@]1(C(=O)O)CN(Cc2c(F)ccc(C)c2F)CC[C@H]1O 2356157193 DSOHEQCRSWPWOH-RHSMWYFYSA-N 327.371 2.711 0 50 EFAA CCOC(=O)c1oc2cccc(OC[C@H](O)CNC(C)C)c2c1C 4008294 QVJVMNUTCGTBCH-CYBMUJFWSA-N 335.400 2.656 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4902109 PCPHGFITLOYTLU-ZJUUUORDSA-N 325.386 2.673 0 50 EFAA CCCC(=O)Nc1cc(C(=O)NCC[C@@H]2CCCN2C)ccc1C 55368847 GRPKYDXOWZSOND-INIZCTEOSA-N 331.460 2.948 0 50 EFAA COc1ccc(F)c(CN2CCN(CC=C(C)C)[C@H](CCO)C2)c1 104297967 SYRCLPRNOYWDBR-QGZVFWFLSA-N 336.451 2.669 0 50 EFAA CS(=O)(=O)CCN1CCC(Sc2ccc(Cl)cc2)CC1 134859290 XCXHAORXDQLFNZ-UHFFFAOYSA-N 333.906 2.941 0 50 EFAA CC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2C(=O)O)no1 350935581 DSEDQATYMFTUSP-UHFFFAOYSA-N 338.385 2.612 0 50 EFAA CC(C)[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)N1C[C@@H](C)O[C@H](C)C1 332355550 PROXYISROJGBMD-XHBSWPGZSA-N 348.422 2.774 0 50 EFAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 229430300 PQPGWRFUCMOPLP-SIIHOXLZSA-N 341.411 2.584 0 50 EFAA 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COc1ccc(F)c(F)c1CN1CCC[C@@H](C(=O)c2nccn2C)C1 77457661 SOCDHSVMFVXKEH-GFCCVEGCSA-N 349.381 2.802 0 50 EFAA c1ccc(Cc2noc(-c3ccc(NC4CCNCC4)nc3)n2)cc1 72171282 HEIRDMMDMHHHRK-UHFFFAOYSA-N 335.411 2.886 0 50 EFAA Cc1cc(N2C[C@H](C)O[C@H](C)C2)nc([C@H](C)N2C[C@@H](C)O[C@H](C)C2)n1 361147303 UIMUZGHJRZLUFI-MTSZKFMLSA-N 348.491 2.569 0 50 EFAA O=C(c1cccc(CO)c1)N1CCN(C2CC2)c2ccc(F)cc21 487046676 NATUSIOOAZIXKD-UHFFFAOYSA-N 326.371 2.947 0 50 EFAA COc1ccc(CCC(=O)N2C[C@@H](C)Oc3ncccc32)cc1OC 158758947 ZWTYFJJWKRZHGU-CYBMUJFWSA-N 342.395 2.846 0 50 EFAA Cc1cnccc1NCCNc1nc(C(C)(C)C)nc2c1cnn2C 72168196 LQQPPACFWUAJDQ-UHFFFAOYSA-N 339.447 2.888 0 50 EFAA O=C(Nc1nc(C2CCC2)cs1)N1CCN(c2ncccn2)CC1 283012557 NHRAUCHSLVVFDJ-UHFFFAOYSA-N 344.444 2.555 0 50 EFAA CCCc1noc(CN[C@H](C)C2CCN(CC(F)(F)F)CC2)n1 340278307 FKSHBCIELRBPOP-LLVKDONJSA-N 334.386 2.775 0 50 EFAA CC(C)c1cc(C(=O)N2CCCN(Cc3ccncc3)CC2)no1 77287941 KBELWFLTPYTZAR-UHFFFAOYSA-N 328.416 2.541 0 50 EFAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCO 136760972 IYVPCEMKZSCRNM-LWYYNNOASA-N 347.414 2.717 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C12CCC2 245661381 DFMBNVLUAOWPGK-RRFJBIMHSA-N 332.448 2.994 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)C(=O)NCC1CCCCC1 229557225 JMKLDANRIRMMMQ-KFKAGJAMSA-N 349.519 2.547 0 50 EFAA Cc1cc(C)n(C[C@@H]2CN(CCCc3cnccc3C)CCO2)n1 290118096 TXYXXWBSOZWSFU-IBGZPJMESA-N 328.460 2.537 0 50 EFAA CC(C)(O)c1cn(C2CCN(C(=O)[C@H]3CC34CCCCC4)CC2)nn1 48134962 FSRWHVOYJDNZDK-OAHLLOKOSA-N 346.475 2.639 0 50 EFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCC(N)=O)n1C 17072444 JZZXAEHOUSALTG-NSHDSACASA-N 348.472 2.830 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 82120601 XNKWYSPFJXXEDF-CYBMUJFWSA-N 337.379 2.546 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc(C)c1OCC(=O)O 263548790 VLIRCOURMIOQHV-CQSZACIVSA-N 349.427 2.843 0 50 EFAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426409229 XPDYNRNZWWZNGK-QGZVFWFLSA-N 340.427 2.757 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 289243911 ZXAVMAHDXRFJBQ-CYBMUJFWSA-N 330.436 2.646 0 50 EFAA O=C(O)c1ccc(CNC(=O)C2(N3CCCCC3)CCCCC2)o1 426531548 GXCVTUARXACAPY-UHFFFAOYSA-N 334.416 2.783 0 50 EFAA Cc1cc(C(=O)NCC[C@@H]2CCNC2)c(C)cc1Br 422800676 CQLFTULSAZWCNA-LBPRGKRZSA-N 325.250 2.795 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cncnc2C)C1 95363849 LPVWXBITXGGZRN-HNNXBMFYSA-N 327.432 2.801 0 50 EFAA O=C(CCN1CCCCC1=O)NCc1cc(F)ccc1C(F)(F)F 97604151 FJWUKONGBZJOIN-UHFFFAOYSA-N 346.324 2.863 0 50 EFAA CCCc1nc(C(=O)NCc2cc3c(cc2OC)OCCO3)cs1 92037768 HDJBPNSJXRLGAU-UHFFFAOYSA-N 348.424 2.805 0 50 EFAA O=C(NCc1cn2c(n1)SCC2)c1c[nH]nc1C1CCCCC1 91327068 HMURJCVIYSDMJR-UHFFFAOYSA-N 331.445 2.690 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCSc3nccn3C)[nH]n2)s1 91965727 WGDKZNXDCFULHF-UHFFFAOYSA-N 347.469 2.702 0 50 EFAA Cc1ccc(CN2CCC(CN(C)C(=O)Cc3ccccn3)CC2)o1 95529287 LXDVYZVHOKXCGO-UHFFFAOYSA-N 341.455 2.896 0 50 EFAA c1ccc(-c2noc(CCN3CCCN(c4ccccn4)CC3)n2)cc1 183822709 QHQHEPSKFFSELP-UHFFFAOYSA-N 349.438 2.886 0 50 EFAA C[C@H](CC(=O)N1CCC[C@@H]1CN)c1ccccc1Br 299740458 ZZPVBYZUYPZGLC-VXGBXAGGSA-N 325.250 2.892 0 50 EFAA O=C(CCCn1cccn1)NC[C@H]1CCN(c2cccc(Cl)c2)C1 299762562 XFFMIOOEPAXCRC-OAHLLOKOSA-N 346.862 2.959 0 50 EFAA CN1CCC(CNC(=O)Nc2ccccc2C2CC2)(N(C)C)CC1 299801601 ZUZXHYSLOPJCGQ-UHFFFAOYSA-N 330.476 2.712 0 50 EFAA CCc1nc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 823577378 HWQXKXHRANAOQM-INIZCTEOSA-N 330.457 2.554 0 50 EFAA CCCCCCOC(=O)[C@H]1CN1[C@H](Cc1ccccc1)C(=O)OCC 584904330 MXCHQFBWHCWGRT-FYQIFJIOSA-N 347.455 2.969 0 50 EFAA C[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@]2(CCNC2)O1 952884217 JUECQHUTTURAOU-ZUZCIYMTSA-N 329.227 2.586 0 50 EFAA N[C@@H]1CN(C(=O)C2([C@@H]3CCCCO3)CCC2)C[C@H]1c1cccc(F)c1 876921786 SCQOECNTAJTPSC-KSZLIROESA-N 346.446 2.818 0 50 EFAA CC(C)[C@@H]1N(S(C)(=O)=O)CC12CCN(Cc1ccccc1)CC2 1875340234 RDKORCALCMKLNR-KRWDZBQOSA-N 336.501 2.569 0 50 EFAA CCc1cc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1F 1875309116 RRCXQRLNOLLCKG-SJCJKPOMSA-N 328.387 2.776 0 50 EFAA Cc1ccccc1[C@H](C(=O)N1CCN(Cc2ccco2)CC1)N(C)C 952965660 QRESJQSVQOGQQD-LJQANCHMSA-N 341.455 2.535 0 50 EFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(O)(C2CCC2)CC1 884987907 ITNFFIAYNNUGNM-UHFFFAOYSA-N 344.411 2.939 0 50 EFAA O=C([C@H]1CCc2ncncc2C1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831851 VHJMHEFYKHTBAY-UVFQYZLESA-N 334.423 2.514 0 50 EFAA Cc1nsc(N2CCCN(Cc3cc(O)cc(Cl)c3)CC2)n1 892127919 YJSKPBHVXDDYSX-UHFFFAOYSA-N 338.864 2.918 0 50 EFAA CC(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(CCO)cc2)no1 896845489 ZQISDHILTKTPKN-INIZCTEOSA-N 343.427 2.981 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CCc3c[nH]nc3C2)C(C)(C)C1 1775984814 IPUPJEYHOZNNNF-HIFRSBDPSA-N 334.464 2.502 0 50 EFAA O=C(c1ccc[nH]1)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565515043 JUWQUYDHKAMGLZ-WBVHZDCISA-N 327.403 2.890 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)o1 185885833 NRYFBZXHZBFWCL-CQSZACIVSA-N 342.443 2.695 0 50 EFAA COc1coc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1=O 407955119 IOTLYSKUNJZUDT-LBPRGKRZSA-N 333.306 2.699 0 50 EFAA Cc1ccnc(NC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)c1 276033722 RFAKZVUGUCLQIY-AWEZNQCLSA-N 341.415 2.536 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCOC 277465599 MAXDWCXXMSETHY-BBRMVZONSA-N 331.416 2.826 0 50 EFAA O=C(c1cc(Cl)ccn1)N1CCC[C@@H](Oc2ncccc2F)C1 278316446 BIAUIMRMWMGBDY-GFCCVEGCSA-N 335.766 2.953 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@H](C)c3ccc(F)cc3)CC2)nn1 170603128 YMAMBINTRQVDSV-ZDUSSCGKSA-N 346.406 2.644 0 50 EFAA C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(O)nc1 188058142 RITNWGFFTGBWBP-JTQLQIEISA-N 340.301 2.890 0 50 EFAA COc1cc(C)c(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1 679770322 NMEGMVZNDKPXNP-OAHLLOKOSA-N 341.459 2.624 0 50 EFAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@H]1CC[C@H](C2CC2)N1 653110714 RFYLHGVRXGVJFX-IAGOWNOFSA-N 347.422 2.865 0 50 EFAA CC(C)Cn1nccc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653326763 KLKLNRUQIZFZGR-CABCVRRESA-N 327.384 2.582 0 50 EFAA Cc1noc2ncnc(NC[C@@H](C)N3CCc4sccc4C3)c12 195508157 VXOCTYSNHQXGHG-SNVBAGLBSA-N 329.429 2.846 0 50 EFAA Cc1cccc(N2CCN(Cc3nc(C)nn3-c3ccccn3)CC2)c1 199464070 XVEFHFVIEQHTKF-UHFFFAOYSA-N 348.454 2.601 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)NC2(C)CCCC2)[C@H]1c1ccccc1 1529105227 YPPLSZTZNHUXGV-MSOLQXFVSA-N 344.455 2.812 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)NC(C)(C)C(C)C)[C@H]1c1ccccc1 1529144195 RNLGSDRSSJAYBK-MSOLQXFVSA-N 346.471 2.914 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)CC[C@@H](C)N1CCOCC1 1529151575 JYCJXMRUJCZDRM-OAHLLOKOSA-N 334.464 2.746 0 50 EFAA O=C(O)c1nnn(-c2ccc(Br)cc2)c1[C@@H]1CCCO1 11730674 NWGPADYBWJFXDI-JTQLQIEISA-N 338.161 2.580 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2CCn2cccn2)nc2ccccn12 1857668427 YNJARTHTDQZUEM-MRXNPFEDSA-N 337.427 2.924 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@H]2CNCCO2)s1 1857684789 DHLPKXPRGDRFDZ-CQSZACIVSA-N 340.452 2.970 0 50 EFAA Cc1ccc2c(C)c(C(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)oc2c1 1857723045 UTUSOFVNDZZCDY-QEJZJMRPSA-N 328.412 2.641 0 50 EFAA CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 109867315 CUPSSWFNJHYJKS-INIZCTEOSA-N 341.459 2.945 0 50 EFAA Cc1ccc([C@@H](C(=O)O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2386688 CLCQDAVXBHICCA-HNNXBMFYSA-N 334.416 2.673 0 50 EFAA in-vitro COc1ccc(-c2nnc(N3CCC[C@@H](CCC(N)=O)C3)s2)cc1 420580676 FXMOBZZYNONPBW-LBPRGKRZSA-N 346.456 2.696 0 50 EFAA Cc1ccccc1OC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 131654091 YAXKMWLUYBHDOV-OAHLLOKOSA-N 327.380 2.698 0 50 EFAA CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1c(N)nnc1SC 16626471 UQIZRNZKMKQJME-JTQLQIEISA-N 325.825 2.825 0 50 EFAA O=C([C@@H](O)C1CCCCC1)N1CCC(O)(Cc2ccccc2F)CC1 376473389 SGSHYWRDVNWKQU-SFHVURJKSA-N 349.446 2.663 0 50 EFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1cccnc1OCc1ccccc1 906293577 QAAPBGAEYYRQTC-MRXNPFEDSA-N 339.395 2.610 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)cc(C)c1F 910616737 KHORUUQQVOFFGQ-TXKKKEFDSA-N 335.375 2.585 0 50 EFAA Cn1nnnc1-c1ccc(NC(=O)N2CC[C@@H]2C2CCCC2)cc1 932009426 YVGPDSVRHKINQT-OAHLLOKOSA-N 326.404 2.674 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)ccc1O 843989718 KPLKMEWILWNONY-CYBMUJFWSA-N 339.395 2.721 0 50 EFAA Cc1ccc(CNC(=O)N2CCC[C@@]3(CCCN(C)C3=O)[C@@H]2C)cc1 2100483488 XYSQBJTZEUBKRF-JXFKEZNVSA-N 343.471 2.928 0 50 EFAA Cn1ncc(N[C@@H](CO)c2cccc(Cl)c2Cl)c(Cl)c1=O 2325824522 FJSLIZPSKKHUOW-JTQLQIEISA-N 348.617 2.886 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1 203506 FAHOIKPUIYCYQN-UHFFFAOYSA-N 347.168 2.996 0 50 EFAA O=C1Nc2ccccc2[C@]12OC[C@H](COc1ccc(Cl)cc1)O2 307365 ZNRLOLUWIKRVBI-SUMWQHHRSA-N 331.755 2.939 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)COc2ccc(C)cc2C)n1 466900 UPMWSSUKIHDYOW-UHFFFAOYSA-N 348.424 2.883 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 7185194 ZNNLZABUCNUOSK-UHFFFAOYSA-N 338.407 2.729 0 50 EFAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NC2CCCC2)c1C 7686089 UALDTDYEKOKYDV-CYBMUJFWSA-N 345.472 2.819 0 50 EFAA Cc1ccc(CCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 10110505 MNEQXSRVESCGIY-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225541897 MOWXVTHYVVVZOZ-WBVHZDCISA-N 332.375 2.698 0 50 EFAA C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCN1 417192614 BWAKHACJSRIHQO-DGCLKSJQSA-N 345.365 2.567 0 50 EFAA CCN(C(C)=O)[C@H]1CCN(C(=O)CCn2c(C)cc3ccccc32)C1 55358884 DOPVFXZRLLBFDA-SFHVURJKSA-N 341.455 2.809 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CC(=O)Nc3ccccc3C)C2)n1 55271297 XKFRSPZOVNPGGF-MRXNPFEDSA-N 340.427 2.611 0 50 EFAA O=C(CCC(=O)NC1CCCC1)NCc1cnc2ccccc2c1 55357932 FONXVNOBGYJOQE-UHFFFAOYSA-N 325.412 2.690 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@H]1C[C@H]2CC[C@H]1O2 247597598 MYBLMUPRFUIAIA-TXCZRRACSA-N 349.500 2.579 0 50 EFAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 101397002 RHNYHYPOWDOLBY-NXNVCVFFSA-N 337.375 2.731 0 50 EFAA Cc1c(O)cccc1C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 67820697 QWPQDMMIHDGZLF-MRXNPFEDSA-N 339.439 2.738 0 50 EFAA Nc1nnc(CCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)s1 65499461 NCNQOTMTUPRBLA-ZDUSSCGKSA-N 341.440 2.730 0 50 EFAA C[C@H](Cn1cncn1)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 247974382 FBPOAEWFHVEANG-USWWRNFRSA-N 339.226 2.893 0 50 EFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)CCCCN2CCOCC2)c1 55226157 UQQHIQVGFCUQLZ-SFHVURJKSA-N 348.487 2.642 0 50 EFAA Cc1nn(C(C)C)cc1CN1CCS(=O)(=O)c2ccccc2C1 281213674 JXZPLNSTUNHEBJ-UHFFFAOYSA-N 333.457 2.562 0 50 EFAA C[C@H](c1ccon1)N(C)Cc1cccc(C(=O)Nc2cnns2)c1 67649239 JCEOSPUJXSQULB-LLVKDONJSA-N 343.412 2.971 0 50 EFAA Cc1nc(CC(=O)NCCc2nccc(-c3ccccc3)n2)cs1 65370573 REAPCHSXIVNFTH-UHFFFAOYSA-N 338.436 2.810 0 50 EFAA Cc1nn(CCO)cc1CN1CCC[C@H]1c1nc2c(C)cccc2[nH]1 67692501 STPDNEVLSZVWHN-KRWDZBQOSA-N 339.443 2.706 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(N[C@@H](C)Cc3cnccn3)c12 67983375 TWOZQYCAUNLWCW-QMMMGPOBSA-N 329.385 2.531 0 50 EFAA O=C(C1CCOCC1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123507277 HYOVTNGZAXKDMF-GJZGRUSLSA-N 343.345 2.766 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccco3)[nH]n1)CC2 252477896 XJOJMRRGWDSEOM-KBPBESRZSA-N 328.416 2.757 0 50 EFAA Cc1cnn(C(=O)Cn2nc(C(F)F)c(Br)c2C)c1 2779052 MNGUWKRZSYDTGU-UHFFFAOYSA-N 333.136 2.737 0 50 EFAA C[C@@]1(C(=O)NCCc2ccc(Br)o2)C[C@H]2CC[C@H]1O2 252586373 PMHDIGAEZITJHD-JTNHKYCSSA-N 328.206 2.658 0 50 EFAA Cc1nc([C@@H]2CCCOC2)sc1-c1nc(Cc2cncn2C)no1 330210457 CJJQKCZDXJXFFO-LLVKDONJSA-N 345.428 2.720 0 50 EFAA Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 72481580 RVEPVKPVEJYPOQ-OAHLLOKOSA-N 337.427 2.864 0 50 EFAA OC[C@H]1CN(c2nc(O)c3ccccc3n2)CC[C@H]1c1ccccc1 367435977 PTAVWULXVVCZJQ-CVEARBPZSA-N 335.407 2.938 0 50 EFAA COC(=O)C1=NOC2(CCN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC2)C1 155919147 KFHPKOKAVQTQND-HUUCEWRRSA-N 348.443 2.513 0 50 EFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCC[C@H]1c1ccccc1 245237763 VIMSIKLYCGSJRD-ZACQAIPSSA-N 340.423 2.525 0 50 EFAA CN1C(=O)CN(C(=O)[C@@H]2C[C@@]2(C)c2ccccc2)[C@H]1c1ccccc1 451269458 PIXPCFPRJQZNQM-CUWPLCDZSA-N 334.419 2.964 0 50 EFAA C[C@H](C(=O)N1CCCc2cc(Cl)cc(Cl)c21)S(C)(=O)=O 157938833 MDHBPXVLPXIRSH-MRVPVSSYSA-N 336.240 2.706 0 50 EFAA O=C(C1CCNCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 158049745 ZTEPGFFTCDIKOT-MRXNPFEDSA-N 340.427 2.790 0 50 EFAA Cc1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 77436372 KWXDVNXPEIWPEN-UHFFFAOYSA-N 341.480 2.767 0 50 EFAA C[C@@H]1CN(c2cncc(Br)c2)C[C@]2(CCCOC2)O1 241653377 PUOSZRVKEFHKQB-RISCZKNCSA-N 327.222 2.618 0 50 EFAA CCn1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1=O 215922333 RLHUFWLYEMTKLU-LJQANCHMSA-N 333.391 2.783 0 50 EFAA O=C([C@H]1CCCCO1)N(Cc1ccc(O)cc1)Cc1cccnc1 215691878 KFSNQJGRYPTUQM-GOSISDBHSA-N 326.396 2.885 0 50 EFAA Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@](O)(CO)C1 72170025 AFUMMKVGVZFUQR-HXUWFJFHSA-N 325.408 2.621 0 50 EFAA CCCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1OC 132469894 TVCCOWXLOXQQRP-MUBLQREKSA-N 338.835 2.710 0 50 EFAA COc1ccc2nc(NC(=O)N(C)C3CCN(C)CC3)sc2c1 1365756871 WYHQJHVVBCWHAR-UHFFFAOYSA-N 334.445 2.863 0 50 EFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(CC)cc12 77286164 KVDOUDFTGITTBV-OALUTQOASA-N 341.455 2.555 0 50 EFAA CCc1ccc(CCN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)cc1 285087920 YKMABMJGKNPYLD-IBGZPJMESA-N 328.460 2.557 0 50 EFAA CCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 17070834 YEKWWBZJSXXNPF-UHFFFAOYSA-N 337.272 2.710 0 50 EFAA Cc1c(C(=O)NC2CCN(c3cnccn3)CC2)[nH]c2ccccc12 426705990 YONCGTNDCRDKJS-UHFFFAOYSA-N 335.411 2.665 0 50 EFAA Cc1cccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)c1 289732971 LVCISTGTXGXJHX-GOSISDBHSA-N 330.453 2.810 0 50 EFAA COCCn1cc(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)cn1 289812545 LRAGHZQZGHSQSS-CYBMUJFWSA-N 348.834 2.648 0 50 EFAA OCCn1ccc([C@H]2CCCN(Cc3cccc(O)c3Cl)C2)n1 426389871 QECUEAIMKBCYJF-ZDUSSCGKSA-N 335.835 2.614 0 50 EFAA C[C@@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2[nH]1 223232758 UKBBYOJECLLDTD-LLVKDONJSA-N 332.367 2.839 0 50 EFAA CCn1nc(C)c(CC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1C 292196350 AIXAYTWAGDKKMG-AWEZNQCLSA-N 340.471 2.929 0 50 EFAA CCc1nc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cs1 179154532 BRBWNRJDFNGFEW-NVXWUHKLSA-N 344.484 2.950 0 50 EFAA CCc1nc2ccccc2n1CCC(=O)NCCc1nccs1 426726910 QDUJQTGDBBMLFH-UHFFFAOYSA-N 328.441 2.804 0 50 EFAA O=C1CCC2(CCNCC2)CN1C[C@H](O)c1ccc2ccccc2c1 91451910 CWVUJQIKABNHCV-IBGZPJMESA-N 338.451 2.865 0 50 EFAA CCOc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](N)C3)s2)cc1 236865320 WKYXIHMBJJECHI-CYBMUJFWSA-N 331.441 2.690 0 50 EFAA COc1ccc(/C=C/CN2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)cc1 91907312 BHOUQDWBJGTCMZ-WTJLDUFHSA-N 338.407 2.904 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(Cn2cccn2)c1 92107031 ZAABRTZERBWTQP-UHFFFAOYSA-N 337.427 2.634 0 50 EFAA CC(C)NCCNC(=O)C1Oc2ccccc2-c2ccccc2O1 96028050 MNOLBCWDZJKRDY-UHFFFAOYSA-N 326.396 2.565 0 50 EFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)C[C@H]3COCCO3)c2c1 91858477 IIAPLHDXUHHJJX-HNNXBMFYSA-N 330.428 2.509 0 50 EFAA Cn1nc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c2ccccc21 244795006 QXYZJCPUZCRGLK-BQFCYCMXSA-N 349.434 2.685 0 50 EFAA CCCn1cc(CNC(=O)N(C)CC[C@@H](O)c2ccccc2)cn1 534629987 SGDYAYKPPPVRKU-QGZVFWFLSA-N 330.432 2.558 0 50 EFAA Cc1nc(CCNC(=O)c2cc(C)n(C(F)F)n2)nc2c1CCCC2 1940197898 ALJNDBXHTXWUAF-UHFFFAOYSA-N 349.385 2.536 0 50 EFAA CC(C)(O)C(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 299757805 NLJSFFGTEVLQSB-UHFFFAOYSA-N 342.443 2.633 0 50 EFAA Cc1nc2ccc(CNC(=O)c3ccc(OCCCN)cc3)cc2[nH]1 299800193 UBWMCCKTINOLJQ-UHFFFAOYSA-N 338.411 2.529 0 50 EFAA Cc1cc(C)c(NC(=O)NCCc2noc([C@H]3CCCO3)n2)c(C)n1 299755056 CCXBTOZBVQQOJZ-CYBMUJFWSA-N 345.403 2.606 0 50 EFAA Cc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299770662 ULHWFQUFCDIPOK-UHFFFAOYSA-N 334.427 2.609 0 50 EFAA CCOC(=O)c1csc(NC(=O)N(CC)CC)c1C(=O)OCC 864056949 GATFMKAPUWOSAS-UHFFFAOYSA-N 342.417 2.975 0 50 EFAA Cc1ccc(CCNc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 952883046 MIGMHFURWNWECF-KRWDZBQOSA-N 347.484 2.823 0 50 EFAA Cc1nc([C@@H]2CCCN2Cc2nc3ccccc3c(=O)n2C)[nH]c1C 952879988 IMGCVRSXMHUVAP-INIZCTEOSA-N 337.427 2.611 0 50 EFAA CC(C)(C)CC[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 1875296397 UPEIIMLZXGAODW-LBPRGKRZSA-N 343.427 2.505 0 50 EFAA CC(C)(C(=O)O)[C@H](NC(=O)c1cc(O)nc2ccccc12)C1CC1 1875312730 RWJSAPIOPBPNMB-OAHLLOKOSA-N 328.368 2.560 0 50 EFAA Cc1cc2cc(N=c3[nH]ccn4nc(C5CC5)cc34)ccc2n(C)c1=O 1875307266 METHTZNGFPTMNV-UHFFFAOYSA-N 345.406 2.933 0 50 EFAA CCc1cc(C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1F 1875309117 RRCXQRLNOLLCKG-SJKOYZFVSA-N 328.387 2.776 0 50 EFAA CCc1cnc(C[C@@H]2CC[C@H](CN(C)Cc3cccnc3)O2)nc1 952854515 LSDFKORSFGXJRF-ZWKOTPCHSA-N 326.444 2.656 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1CCCN(c2ncccc2F)CC1 784169261 BSUWUASZCYVAPI-UHFFFAOYSA-N 341.386 2.508 0 50 EFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)[C@H]2C)o1 886084825 KEHXJAPZGLBHRK-FZMZJTMJSA-N 343.383 2.558 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(COC2CCCC2)o1 886094840 DWSDPGOUZXDBMD-CZUORRHYSA-N 332.404 2.898 0 50 EFAA CCn1cc(C(=O)NC2(c3ccccc3F)COC2)c(C2CC2)n1 886645539 CRJUVBKCSKWNQJ-UHFFFAOYSA-N 329.375 2.575 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)c1ccc(OC(F)(F)F)cn1 888090939 KRYRMWFOULDDKY-UHFFFAOYSA-N 339.273 2.700 0 50 EFAA COc1cccc(CC(=O)N2CCCN(CCC(F)(F)F)CC2)c1 989604077 QIDRZDXEBAQQRZ-UHFFFAOYSA-N 344.377 2.724 0 50 EFAA CC(C)C1(O)CCC(NCc2ccccc2N2CCN(C)CC2)CC1 1775993179 WYKFILXPIPIWKO-UHFFFAOYSA-N 345.531 2.858 0 50 EFAA O=C(NCc1ccc[n+]([O-])c1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 1775994209 YLMUMUPQWAOALR-HFSMHLIXSA-N 336.435 2.985 0 50 EFAA CC(C)Oc1cccc(CC(=O)N[C@H](CC(=O)O)c2nccs2)c1 1776006163 NWPUURSIHUKMDX-CQSZACIVSA-N 348.424 2.805 0 50 EFAA CCc1nc(N[C@H]2CCO[C@@H]2c2nccn2C)c2ccsc2n1 275472790 HVOKOUWUYFDOEI-AAEUAGOBSA-N 329.429 2.929 0 50 EFAA Cc1cc(N2CCN(C(=O)Nc3ccc4nc(C)oc4c3)CC2)n[nH]1 187536538 DKTLMIUIEOOXQJ-UHFFFAOYSA-N 340.387 2.522 0 50 EFAA Cc1csc([C@@H](C)C(=O)N2CCN(c3cccc(O)c3)CC2)n1 665609433 FZHOKWRSRMYHKI-CYBMUJFWSA-N 331.441 2.609 0 50 EFAA CC(C)[C@@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)Cc1ccccc1 191172843 KULHEIXJALSURC-UYAOXDASSA-N 346.471 2.702 0 50 EFAA COC(=O)[C@H](Sc1nnnn1C)c1ccc(Cl)c(Cl)c1 191483183 PRBTYBKHPZDBHS-SECBINFHSA-N 333.200 2.523 0 50 EFAA CN(C)c1ccnc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 195489451 IFWOABDFZFNDPK-UHFFFAOYSA-N 339.439 2.969 0 50 EFAA CC(C)c1noc(C2CCN(C(=O)CCc3csc(N)n3)CC2)n1 1506423278 VIQQNZXJDGVFMD-UHFFFAOYSA-N 349.460 2.571 0 50 EFAA COc1cc(C(=O)O)cc(C(=O)N2CC(Oc3ccc(C)cc3)C2)c1 1506405133 LDFOTDATSZHOGV-UHFFFAOYSA-N 341.363 2.605 0 50 EFAA CO[C@H](CNc1cncc(C(=O)N2CCCC2)n1)c1cccs1 1529158434 CMJATCGRDXTQMJ-CYBMUJFWSA-N 332.429 2.574 0 50 EFAA CC(C)Oc1cccc(C(=O)N2CCCN(Cc3ncc[nH]3)CC2)c1 1529120356 XLBJIRHLWZCHIP-UHFFFAOYSA-N 342.443 2.545 0 50 EFAA Cc1ccc(-c2noc(CCNc3ncc(F)c(N(C)C)n3)n2)cc1 1772701785 RRMMLDUPLZSABR-UHFFFAOYSA-N 342.378 2.695 0 50 EFAA Cc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCOCC2)cn1 1772712427 MMHNPTFBGCXGAL-UHFFFAOYSA-N 332.787 2.888 0 50 EFAA Cc1cc2ncn(C[C@@H](O)COc3ccccc3C(=O)O)c2cc1C 5059841 QAJNMBNKWMZQCZ-CQSZACIVSA-N 340.379 2.791 0 50 EFAA CC(C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C(C)(C)C)O2)CC1 11980764 QKWSDFBAXDZDAD-HNNXBMFYSA-N 338.492 2.735 0 50 EFAA COc1ccc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)cc1O 14968005 RLOOIJOAZDNZET-INIZCTEOSA-N 332.444 2.672 0 50 EFAA Cc1cc(C)n(CCN(C)c2ccc(-c3nc(C4CC4)no3)cn2)n1 19228061 DHJZWWVMHCBSME-UHFFFAOYSA-N 338.415 2.959 0 50 EFAA C[C@H]1CN([C@@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C[C@@H](C)O1 19742628 WKZYIBHOIJFENT-RVKKMQEKSA-N 334.435 2.816 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1OC 4316290 TUKAMECIODVSQC-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@H](C(=O)O)S3 2950459 VDAPNVZXLUHNHH-XIKOKIGWSA-N 342.420 2.693 0 50 EFAA CC(=O)c1cc(CC(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cs1 1857671984 BCZAVHCVRAYXQO-UHFFFAOYSA-N 343.452 2.721 0 50 EFAA O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 147031 OFCKOTCJAPNLDO-UHFFFAOYSA-N 325.773 2.912 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)COc3cccc(Cl)c3C)C2)n1 331499556 BKTVHHKQHPSYHB-LBPRGKRZSA-N 335.791 2.735 0 50 EFAA COc1cccc(C2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)c1 332487262 QZDURSCUXKLEIM-QAQDUYKDSA-N 332.444 2.888 0 50 EFAA CO[C@H]1C[C@@H](CO)N(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 344702594 FQYQSMAMYSSRMQ-IRXDYDNUSA-N 347.846 2.687 0 50 EFAA CCc1nc(CN2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cs1 252077826 DKCLCFQVLXRURA-YOEHRIQHSA-N 335.517 2.781 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC 252490340 KPYJNTFBBJAAGH-HRCADAONSA-N 331.522 2.727 0 50 EFAA Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cncc(F)c2)o1 253420275 GRUIUUZIDNHNPR-INIZCTEOSA-N 338.342 2.852 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](Cc2cnn(C)c2)C1 363305417 BLLHDUUSDPYGMK-UONOGXRCSA-N 346.862 2.965 0 50 EFAA Fc1cccc(N2CCCC2)c1CN1CCC[C@@H](c2nc[nH]n2)C1 371331655 JRXMQDXHUNBRMX-CQSZACIVSA-N 329.423 2.924 0 50 EFAA O=C(NCCc1ccc2c[nH]nc2c1)[C@H](O)c1ccccc1Cl 803562412 LKSRKRKQEKPXIZ-MRXNPFEDSA-N 329.787 2.609 0 50 EFAA O=C([C@@H]1CSC(c2ccccc2)=N1)N1C[C@@H](CO)c2ccccc21 908402923 LOMWMAXJTIJZLC-HOCLYGCPSA-N 338.432 2.671 0 50 EFAA O=C(NCCSC(F)(F)F)c1ncc(Br)cc1F 1857531635 GNPZDBFIGNNJBC-UHFFFAOYSA-N 347.131 2.966 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](C(=O)O)c2cccnc2)c1 910988422 PNJKWJDWXLNBBP-GOSISDBHSA-N 340.379 2.603 0 50 EFAA COc1ccnc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)c1F 825335537 SIQRPCMYTVZHHA-SFHVURJKSA-N 330.359 2.551 0 50 EFAA CCOc1ccccc1N1CCN(c2cc(Cl)nc(O)n2)CC1 858309192 HUWWNNHNODBSNG-UHFFFAOYSA-N 334.807 2.561 0 50 EFAA CC[C@](C)(CNC(=O)[C@H]1[C@@H](C2CC2)[C@H]1C)NC(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 2325758378 ODWIQDLZJLZHIJ-DRMWIFTBSA-N 346.515 2.972 0 50 EFAA Fc1cccc(-n2cccn2)c1CNCc1nc2c([nH]1)CCCC2 2325774039 WPLRUYYJYVNMEE-UHFFFAOYSA-N 325.391 2.903 0 50 EFAA Cc1ccc2c(ccn2CC(=O)N2CCN[C@H](Cc3ccccc3)C2)c1 2325859190 QNQLWQXWHPJSMH-HXUWFJFHSA-N 347.462 2.993 0 50 EFAA COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccccc2)cc1 142571 REHJMAGOXBJGDO-SJLPKXTDSA-N 325.364 2.870 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(F)cc1 193727 ISXRBPWHECMZHZ-AWEZNQCLSA-N 334.372 2.649 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br 361799 PGUNZPQJJBRSDB-LBPRGKRZSA-N 339.189 2.640 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccc(C)cc1C 528028 AHSDEPYCRFIMDS-INIZCTEOSA-N 346.452 2.918 0 50 EFAA CCOC(=O)C(Cc1cc(C(C)=O)ccc1OCC)C(=O)OCC 2890826 KSYVBCXVTHIBJM-UHFFFAOYSA-N 336.384 2.573 0 50 EFAA biogenic COc1cc(F)ccc1C(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356158543 OGSLCAUPTCSVOJ-IBGZPJMESA-N 348.418 2.840 0 50 EFAA Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3CCCc2ccccc2)no1 2356168768 MXCKHOUFDQLJCK-OALUTQOASA-N 339.439 2.905 0 50 EFAA CN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)c2ccccc21 110477094 NKIICOBQKLHHEW-UHFFFAOYSA-N 349.394 2.547 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCc3[nH]nc(C(C)C)c3C2)c1C 23379865 BHRBAVXYTFZSIS-UHFFFAOYSA-N 328.416 2.879 0 50 EFAA CCCCCCOC(=O)[C@H]1CN1[C@H](Cc1ccccc1)C(=O)OC 2903074 ZYGMIKNTEYHYNG-LGJCEAAXSA-N 333.428 2.578 0 50 EFAA CCO[C@H]1C[C@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C12CCC2 246450673 UPDJKBVAKLYKKP-QHEDDYRISA-N 335.492 2.649 0 50 EFAA CC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)c(=O)[nH]c1C 55575558 DRXLKBKTOQPPCV-LLVKDONJSA-N 342.399 2.614 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 343933847 AZBIITFHMPBINJ-GFCCVEGCSA-N 338.333 2.854 0 50 EFAA Cc1cc(NC(=O)COc2ccccc2)ccc1N1CCOCC1 57351163 QQNPWXJUNDPAQL-UHFFFAOYSA-N 326.396 2.849 0 50 EFAA CCc1noc(CN(CC)C(=O)[C@H](C)n2cnc3ccccc32)n1 65462116 GLKPBFUDVIHNIR-LBPRGKRZSA-N 327.388 2.591 0 50 EFAA COc1ccccc1-c1nc(C(=O)N2CCCC[C@@H]2C(=O)O)cs1 136522999 CSRLGOPVYSBNIZ-CYBMUJFWSA-N 346.408 2.898 0 50 EFAA COc1ccc(OC)c2c1CN([C@@H](C)c1nc(C3CC3)no1)C[C@@H]2O 229509011 WHKXWUIYSMICBT-GWCFXTLKSA-N 345.399 2.574 0 50 EFAA CC1CCN(C(=O)C2CCN(C(=O)c3cc(C(C)C)on3)CC2)CC1 121485426 GBFQHOFQSLOJPU-UHFFFAOYSA-N 347.459 2.909 0 50 EFAA CCc1cc(N[C@H](CC)c2ccccn2)nc(N2CCOCC2)n1 65408132 IXYLDHXFQWTPQO-OAHLLOKOSA-N 327.432 2.834 0 50 EFAA CC[C@H](C)n1ncc(C(=O)Nc2cncnc2N2CCCC2)c1C 252500489 SWQJEEJWWNAOIJ-LBPRGKRZSA-N 328.420 2.805 0 50 EFAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cc(Cl)cc(Cl)c1 54253703 UQVQRCRSWSMIIV-LBPRGKRZSA-N 331.199 2.569 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)nn1)N[C@@H]1c2ccccc2C[C@@H]1O 120287911 HEPWIDFBKHISOX-PKOBYXMFSA-N 346.390 2.923 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(CCC(N)=O)CC2)c1 72425041 JEECYGDTQYHFMI-UHFFFAOYSA-N 346.471 2.508 0 50 EFAA CCC[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1nccn1C 219061646 PGGCJLVPSFQHDU-OAHLLOKOSA-N 325.416 2.887 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@H]1c1noc(C)n1 253394649 IZXFRKTVNUFFGP-LBPRGKRZSA-N 348.334 2.673 0 50 EFAA CN(C)CCN(C)[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 39380908 JVRLBFMOZAYPDG-INIZCTEOSA-N 341.446 2.746 0 50 EFAA COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)[C@@H]2CCO[C@H]2C)c1 331610874 NQZZVGAOEALNTO-MGBSGCIJSA-N 339.457 2.585 0 50 EFAA CCc1nc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(C)o1 356603038 YZJXRGDFVYPKSZ-LJQANCHMSA-N 346.402 2.752 0 50 EFAA COc1ncc(-c2nccn2CCc2cnn(-c3ccccc3)c2)cn1 71614530 IYAYSIUKZWAMFB-UHFFFAOYSA-N 346.394 2.777 0 50 EFAA COc1ccc(CNC[C@@H]2CCCN2C)cc1OCc1cccnc1 237184322 RZWZKIKTFNOYIH-SFHVURJKSA-N 341.455 2.853 0 50 EFAA CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H]1C(=O)O 237253419 FNEFHPORMXPDLI-ZDUSSCGKSA-N 345.226 2.501 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)Cn1ccnc1C 216225202 JLFFMWLQNNCTMQ-UHFFFAOYSA-N 330.819 2.994 0 50 EFAA C[C@H]1C[C@@H](c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CCN1C 333737654 XCUIKFSOCYDIIR-SOUVJXGZSA-N 340.427 2.788 0 50 EFAA C[C@@H]1C(=O)Nc2cc(C(=O)N3C[C@H](C4CC4)[C@@H]3C3CC3)ccc2N1C 333960311 KXZBDTDZWSUFRK-MZKGEVEHSA-N 339.439 2.724 0 50 EFAA O[C@]1(Cc2cccc(Cl)c2)CCN(Cc2cnc3[nH]ccnc2-3)C1 368217562 ZAPOMYYDVGWHTO-SFHVURJKSA-N 342.830 2.742 0 50 EFAA CCOc1cc(CN2CCN(C(N)=O)CC2)ccc1OCC=C(C)C 216205131 XRLPGNPVSLVABW-UHFFFAOYSA-N 347.459 2.627 0 50 EFAA CC[C@@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71760375 LVTDSPZPBBCODW-CYBMUJFWSA-N 339.443 2.535 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H]1c1cnn(C)c1 173319637 MWDBFIXOKCFPFF-SMDDNHRTSA-N 333.823 2.633 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)c2ccccc12 36090877 OEJGGDXZCJIBGL-UHFFFAOYSA-N 348.468 2.565 0 50 EFAA CCc1[nH]ccc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 375639406 BHGPVSPSOFJAAF-UHFFFAOYSA-N 343.402 2.705 0 50 EFAA Cc1nnc(-c2cccc(NC(=O)c3ccc4nccn4c3)c2)n1C 378221995 ZPTCPAXLOMDNLP-UHFFFAOYSA-N 332.367 2.691 0 50 EFAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC(C)(CO)CC1 241132775 JLOBKUWGMZHUDI-UHFFFAOYSA-N 349.381 2.694 0 50 EFAA COc1ccc2cc(C(=O)[C@@H]3CCCN(CC(=O)O)C3)ccc2c1 71777048 PWULIQJDZWZGRP-MRXNPFEDSA-N 327.380 2.828 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 263395883 FMFYKSGIFXGXLN-CVEARBPZSA-N 338.492 2.990 0 50 EFAA CSc1nc(C(=O)NC[C@H]2Cc3ccccc3CN2C)cs1 221207874 IOWRNUIQRHKIBX-CYBMUJFWSA-N 333.482 2.652 0 50 EFAA Cc1cc(C)nc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)n1 426440205 BVWDIWGMXJXZMF-QAQDUYKDSA-N 325.412 2.794 0 50 EFAA O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)S(=O)(=O)CC2 178078589 TYYGAUDNPZJGJX-UHFFFAOYSA-N 333.384 2.727 0 50 EFAA O=C(NC1CCN(C2CCOCC2)CC1)c1cc(F)ccc1Cl 223703439 IOLBIDFXMIMQBC-UHFFFAOYSA-N 340.826 2.852 0 50 EFAA CCn1cc(CN(C)CC(=O)N[C@H](C)c2ccc(C)cc2)c(C)n1 426551065 HROKXLKCOBJRKD-OAHLLOKOSA-N 328.460 2.829 0 50 EFAA Cc1[nH]nc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)c1Cl 426399129 ZTECWFKQFMQGNS-CYBMUJFWSA-N 344.806 2.524 0 50 EFAA c1ccc2c(c1)C[C@@H](CN1CCN(c3nccs3)CC1)CCO2 95512328 PHMJEQGQLMKWML-HNNXBMFYSA-N 329.469 2.907 0 50 EFAA COCCCCN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95528315 HYSVWEJZWHCSKM-GOSISDBHSA-N 332.488 2.672 0 50 EFAA O=C(NCc1csc2c1CCCC2)c1cnc2sccn2c1=O 97393980 GEIXRHGMPRJPKB-UHFFFAOYSA-N 345.449 2.626 0 50 EFAA O=C(NCc1cc(F)ccc1F)[C@H](c1cccnc1)N1CCCC1 97775998 BAHVKNMQUZLBGV-KRWDZBQOSA-N 331.366 2.813 0 50 EFAA OC[C@H](CNc1nccc(-c2cccnc2)n1)Cc1ccsc1 97137863 SHANXWDUBJTIMC-AWEZNQCLSA-N 326.425 2.863 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)cc(OC)c2)C1 91998138 QREIQQWRLQQGJN-KRWDZBQOSA-N 341.835 2.600 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)nc(C)n1 95368135 GGJCVZALAYRZTR-INIZCTEOSA-N 339.395 2.811 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN2CCC(=O)Nc2ccc3c(c2)CCC3)n1 252482851 DPCKYAXVLAOQIF-KRWDZBQOSA-N 339.443 2.768 0 50 EFAA CCn1ccc(CN(C)CC(=O)Nc2nnc(C(C)(C)C)s2)c1 252509012 YAURPPGKPBKALG-UHFFFAOYSA-N 335.477 2.728 0 50 EFAA Cc1ccc2c(=O)cc(C(=O)N(C)Cc3c(C)noc3C)oc2c1 252481356 CJQPKXFHWFYPAH-UHFFFAOYSA-N 326.352 2.978 0 50 EFAA O=C(NCCCn1cccc1)N1CCN(Cc2ccc(F)cc2)CC1 534637797 MYUTYGFDSQAUHG-UHFFFAOYSA-N 344.434 2.545 0 50 EFAA O=C(NCCCc1ncc[nH]1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299763666 OWPSHMFMPNNGFN-KSZLIROESA-N 338.455 2.684 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC[C@H](O)c2ccco2)C12CCC2 863983965 OUIJBYUWGNKVJD-NWANDNLSSA-N 336.432 2.739 0 50 EFAA Cc1ccc(C[C@H](NC(=O)N2CC[C@@](C)(O)C2)c2ccccn2)cc1 185444815 FYIPTGFDTCEGFL-AZUAARDMSA-N 339.439 2.840 0 50 EFAA CN(C)CCC1CCN(C[C@]2(C)CN(Cc3ccccc3)C2=O)CC1 1875367577 PNELNSHKRPJDTB-OAQYLSRUSA-N 343.515 2.699 0 50 EFAA Cc1nc([C@@H]2OCC[C@@H]2CNc2nc(-c3ccccc3)ns2)n[nH]1 895302432 XWQIRCVPLQVRLU-CHWSQXEVSA-N 342.428 2.821 0 50 EFAA CC1(C)Cc2cc(S(=O)(=O)Nc3cc(F)ncc3F)ccc2O1 1775997316 AJXNESWZERENMU-UHFFFAOYSA-N 340.351 2.874 0 50 EFAA COc1cc(O)ncc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 1362998434 AGPVTCSVGNGWDR-YOEHRIQHSA-N 326.396 2.965 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1364460320 XHVREPLFVRLVAB-IAGOWNOFSA-N 347.846 2.669 0 50 EFAA O=C(c1ccnc2ccncc12)N1CCO[C@H](c2cccc(O)c2)C1 185867020 UMDZFZSIUMRISE-SFHVURJKSA-N 335.363 2.549 0 50 EFAA Cc1ccc(-n2nnnc2NC[C@](C)(O)c2cccc(Cl)c2)cc1 302173670 NHJURTMEPMEXPO-KRWDZBQOSA-N 343.818 2.944 0 50 EFAA O=C(c1nnc(-c2ccccc2)o1)N1CCC[C@]2(CCCOC2)C1 631373841 FFILROAUJHJWAQ-SFHVURJKSA-N 327.384 2.769 0 50 EFAA CC1(C(=O)NC[C@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)CCC1 408516611 JBQVZWGFZYZKNZ-CQSZACIVSA-N 348.491 2.886 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C2=COCCC2)CC1 276033253 RMURVFVVCNVQEI-GOSISDBHSA-N 329.444 2.589 0 50 EFAA C[C@H](CNc1ncnc2sc3c(c12)CCCC3)c1nncn1C 170088683 HIDZCXNCMGGTSU-SNVBAGLBSA-N 328.445 2.914 0 50 EFAA CCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)n(C)n1 170633869 LFTNKOSKHFRDGK-KBPBESRZSA-N 334.464 2.642 0 50 EFAA O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCc2ccccc21 170800514 FIHNIDJYFCODIL-FQEVSTJZSA-N 336.435 2.774 0 50 EFAA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cccc(C)n2)c1 188281523 MVCBGTIPJCPWGI-DOTOQJQBSA-N 326.396 2.827 0 50 EFAA Cc1cc(C)cc(CCNC(=O)[C@@H]2COCCN2C2CCCC2)c1 189097839 LNEUKKOBIKAZHF-IBGZPJMESA-N 330.472 2.606 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 189687896 BATHIYWYWNBIGE-DOTOQJQBSA-N 346.406 2.988 0 50 EFAA Cc1cccc(C2(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)CCCC2)c1 726927045 CLDRNWFYKXYSKI-INIZCTEOSA-N 347.480 2.871 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCS[C@H]2CCCC[C@@H]21 194206494 TZWZASHMHDIMFR-KBPBESRZSA-N 328.441 2.972 0 50 EFAA O=C(C[S@](=O)c1cccs1)NCCOc1ccc(Cl)cc1 194616504 JHRRKRAACVTCEG-NRFANRHFSA-N 343.857 2.704 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc2ccccc2o1 775287530 BTVWDHGGFZMDRT-AWEZNQCLSA-N 343.360 2.637 0 50 EFAA Cn1cnc2cc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)ccc21 1506420321 CBTYTUCCXRZSIE-OAHLLOKOSA-N 348.406 2.703 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(c2ccnc(C)n2)CC1 1704326000 SUABPEHZIFJNIL-UHFFFAOYSA-N 325.412 2.862 0 50 EFAA COCC1(C(=O)N2CCCN(Cc3sccc3C)CC2)CCC1 1775984071 YPDZHWJCTMPZHS-UHFFFAOYSA-N 336.501 2.908 0 50 EFAA CC(=O)N1CCC(NCc2cccnc2Oc2ccccc2)CC1 12305317 HXFFBQCOWXQNIZ-UHFFFAOYSA-N 325.412 2.974 0 50 EFAA CCn1cc(CN2CCC[C@H](CNC(=O)c3cccs3)C2)cn1 12453577 BQWAQPKHIOAEIW-CQSZACIVSA-N 332.473 2.607 0 50 EFAA O=C(C1CCC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 15074052 WBYPHXBRTPFTQT-HXUWFJFHSA-N 344.430 2.967 0 50 EFAA O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccccc1F 15913391 FBCQPNRUPYFGCU-UHFFFAOYSA-N 329.360 2.737 0 50 EFAA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 2556716 HDKMHRCLLPAOCC-KRWDZBQOSA-N 343.379 2.793 0 50 EFAA biogenic,in-vitro CC(C)=CC[C@@]1(C(=O)NCc2ccc3c(c2)OCO3)C[C@@H]2CC[C@H]1N2 1857673423 SEAIKIXFIOTUJI-QKYXUNIQSA-N 342.439 2.899 0 50 EFAA CC[C@@]12COC(=O)N1CCN(Cc1cccc(OC(F)F)c1)C2 1857702112 AGZNTWJXJNYOJB-MRXNPFEDSA-N 326.343 2.705 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2csc3c2CCCC3)CC[C@@H]1O 1857723586 MHVAMWUAPFIHAZ-WMZOPIPTSA-N 337.485 2.613 0 50 EFAA Fc1ccc2[nH]c(CCNc3ncc(Br)cn3)nc2c1 301522782 HOSCWBZHNAWNMZ-UHFFFAOYSA-N 336.168 2.909 0 50 EFAA COC1CCC(N(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 328778105 DJFDMNPWHQADMM-UHFFFAOYSA-N 330.428 2.608 0 50 EFAA CCCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl 6746655 RZKUFMFSFVFBJG-LLVKDONJSA-N 333.837 2.586 0 50 EFAA Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@](C)(C(=O)O)C1 237659244 MVXUWQSGLKHSRU-SFHVURJKSA-N 344.436 2.979 0 50 EFAA COc1ccc(Cl)c(N2CCN(CC3(CC(=O)O)CC3)CC2)c1 652451427 VOENBJWQQSJGDT-UHFFFAOYSA-N 338.835 2.726 0 50 EFAA CC(=O)Nc1cccc(C(=O)NCCc2ccc3c(c2)CCO3)c1C 242273564 YDWMAOONGNXTAV-UHFFFAOYSA-N 338.407 2.861 0 50 EFAA CCOc1nc(C)ccc1C(=O)NCc1ccnc(N2CCCC2)c1 242302350 YRRFLHWAPVDPQZ-UHFFFAOYSA-N 340.427 2.714 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(NCC[C@H]3CCCO3)cc2)C[C@@H](C)O1 248721691 SXEYODCZKSLQMC-RVKKMQEKSA-N 332.444 2.917 0 50 EFAA CNC(=O)[C@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 135247616 SHGAOVCTGXBYPL-MRXNPFEDSA-N 343.814 2.753 0 50 EFAA Cc1c(C(=O)N2CCNC[C@H]2c2cccc(F)c2)cnn1C(C)(C)C 261957341 MBTBRMUJNOKIKG-KRWDZBQOSA-N 344.434 2.872 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c2occc12 935515390 OMQWCJNQDZOMBZ-MEDUHNTESA-N 343.358 2.813 0 50 EFAA CN(Cc1cnc(Cl)cn1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1857778502 QRCQCUCSSHXWLR-LBPRGKRZSA-N 340.855 2.819 0 50 EFAA Cc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 13481900 BXTNNJIQILYHJB-LBPRGKRZSA-N 342.347 2.877 0 50 EFAA biogenic,in-vitro CN(C)C(=O)Cc1ccc(Nc2cccc(N3CCNC3=O)c2)cc1 2100482952 IJCYIEMKFYCNCI-UHFFFAOYSA-N 338.411 2.591 0 50 EFAA COc1cc(C)nc(C)c1NC(=O)NCc1ccc2c(c1)ncn2C 2325782004 MUXLNSPPOIUTQC-UHFFFAOYSA-N 339.399 2.915 0 50 EFAA O=C1CC[C@@H](C(=O)N[C@H]2[C@H]3CCC[C@H]3[C@H]2OCc2ccccc2)C1 2325784439 GBZLAJLXZNRVAX-LZBKUMLDSA-N 327.424 2.856 0 50 EFAA COc1ccc(Cn2nc(C)cc2NC(=O)[C@H]2C[C@H](N(C)C)C2)cc1 2325784964 WOGKUGSZALGBJJ-WKILWMFISA-N 342.443 2.527 0 50 EFAA O=C(O)c1ccc(C(=O)NC2([C@H](O)c3ccc(F)cc3)CCCC2)o1 2325788669 VRXMPEGQNPYNFU-OAHLLOKOSA-N 347.342 2.893 0 50 EFAA CCN1CCc2c(cccc2NC(=O)c2cc3cccn3c(O)n2)C1 2325805348 BXBRDRDYPGHUNF-UHFFFAOYSA-N 336.395 2.670 0 50 EFAA Cc1c(C(=O)NC[C@H]2Cc3ccccc3CN2)nc(O)c2ccccc12 2325858611 UNROGRFOCHAJDK-MRXNPFEDSA-N 347.418 2.693 0 50 EFAA CC(C)c1cc(O)nc(N2CC[C@@H](N=c3cc[nH]c4ccccc34)C2)n1 2325859998 TWOUEJPZLIGEGC-CQSZACIVSA-N 349.438 2.967 0 50 EFAA O=C(NC(=S)NCc1ccco1)c1ccccc1Br 401048 WDQHKPFOYRVFOU-UHFFFAOYSA-N 339.214 2.847 0 50 EFAA CCOC(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1 465148 VMOUYSGHIVAMIW-UHFFFAOYSA-N 327.336 2.693 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3cncs3)CC1)OCC2 2356163709 OFWWGOSPPMFXMQ-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA O[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@]1(O)c1ccccc1 2356164124 GFOOCFGSWCFRMT-HOCLYGCPSA-N 338.329 2.559 0 50 EFAA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2ncnn21 4424114 MTXLPAAFBBENSZ-HNNXBMFYSA-N 328.372 2.529 0 50 EFAA O=C(Cc1cccs1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 4731656 LUWGKEWEQXRCLA-ZDUSSCGKSA-N 344.436 2.838 0 50 EFAA CCC(=O)c1ccc(OCC(=O)NC[C@@H](C)Oc2cccnc2)cc1 55154399 PLYMKVPSGHRFON-CQSZACIVSA-N 342.395 2.637 0 50 EFAA O=C(CCNC(=O)c1ccccc1F)NC[C@H]1C[C@H]2C=C[C@H]1C21CC1 102688464 OUTVBRCROXNOET-IIAWOOMASA-N 342.414 2.664 0 50 EFAA CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 118986261 DKPWEFSXVYTUAY-LBPRGKRZSA-N 339.848 2.574 0 50 EFAA O=C(Cc1noc2ccccc12)NC[C@H]1CCN(Cc2ccco2)C1 67975660 STMHXJILKQGSJA-CQSZACIVSA-N 339.395 2.602 0 50 EFAA C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1nnc2n1CCCC2 135258021 MTQGZRGHAXZOMX-LBPRGKRZSA-N 337.383 2.760 0 50 EFAA Cc1cccc(Cl)c1NC(=O)Cn1ncc2ccccc2c1=O 65362669 CEYPQGSWDTUASV-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA Cc1cccn2c(CNC(=O)[C@@H](C)n3ccnc3C(C)C)cnc12 65457807 UVDICDXRRBZPCX-CQSZACIVSA-N 325.416 2.840 0 50 EFAA Cc1cc(Cl)c(OCCN2CCNCC2)c(Br)c1 20272562 XZRKLIYCAGABFC-UHFFFAOYSA-N 333.657 2.695 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348257105 IIJBGHZJDUZHTJ-XJKSGUPXSA-N 343.333 2.789 0 50 EFAA CCn1c(C2CCN(C/C=C/c3ccc(F)cc3)CC2)n[nH]c1=O 65395671 IRBNPKNCVPMOIP-ONEGZZNKSA-N 330.407 2.623 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc2sc(N)nc12 67605319 DYCYFWMMQWNRBD-NSHDSACASA-N 341.440 2.930 0 50 EFAA C[C@H](NCC(=O)NCCc1ccc(F)cc1)c1cn2ccsc2n1 65497453 UDTYDHFVOSNKDI-LBPRGKRZSA-N 346.431 2.544 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CCCN(C2CCCC2)C1 67757713 CTGDCPWNCYHLDJ-MRXNPFEDSA-N 332.492 2.730 0 50 EFAA CC(=O)NCc1ccc(-c2csc(NC(=O)COC(C)C)n2)cc1 144045297 KUUFZRFQXJAFPJ-UHFFFAOYSA-N 347.440 2.810 0 50 EFAA Cc1noc([C@@H]2CCCN([C@H](C)C(=O)N[C@H](C)c3ccccc3)C2)n1 252517197 BWWKLPDTPZIZNT-CKEIUWERSA-N 342.443 2.823 0 50 EFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1scc2c1CCCC2 215934564 QWTGAHRNJHQNJO-ZDUSSCGKSA-N 347.440 2.834 0 50 EFAA CN(CCc1ccccn1)C(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 328604840 LJFCKBGJTANQMN-YLJYHZDGSA-N 340.398 2.962 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)cc1 72458887 NKNFTDVNLMPHHL-SFHVURJKSA-N 345.414 2.993 0 50 EFAA CCc1cc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)nc(C)n1 253396705 JSBOJJDAPBUGEL-SNVBAGLBSA-N 344.440 2.566 0 50 EFAA CCOC(=O)CCNC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72135429 DRARRNKGGLNCGF-AWEZNQCLSA-N 348.378 2.502 0 50 EFAA CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CCCN2)CC1 237064777 HYZDHIKGLVXLRR-MRXNPFEDSA-N 326.444 2.514 0 50 EFAA COc1cccc(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c1 128212497 BALBAXGIMYPAQR-CYBMUJFWSA-N 330.363 2.630 0 50 EFAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@](O)(CO)CC1 72144646 PRSFFDHOUFGOBA-FQEVSTJZSA-N 341.407 2.828 0 50 EFAA CO[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 448589781 MPLQWKQCOJPJOW-IBGZPJMESA-N 338.407 2.792 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1cccnc1)C(F)(F)F 215195635 DWKIIODELPPOMC-OAHLLOKOSA-N 340.349 2.784 0 50 EFAA FC(F)(F)c1nnc(N2CCC(OC[C@H]3CCOC3)CC2)s1 157181225 ZZWLTVGWLVLKRG-VIFPVBQESA-N 337.367 2.579 0 50 EFAA CC1=C(C)[C@]2(C)[C@H]3C=C[C@@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@@]12C 216392518 NBIJTVURFQFRFP-XNFNUYLZSA-N 335.407 2.829 0 50 EFAA O=C(NCC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 77356402 BALIVOYXLZCVHA-MRXNPFEDSA-N 326.371 2.572 0 50 EFAA Cc1cccc2c1N(C(=O)Cc1ccccc1S(C)(=O)=O)CCC2 283858595 MRYSQBRIJOQVQY-UHFFFAOYSA-N 343.448 2.920 0 50 EFAA CCN(C)C(=O)CN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71767943 UOCXLAUURVHQSB-IBGZPJMESA-N 349.494 2.836 0 50 EFAA O=C(CCCC1CCOCC1)N1CCC[C@](O)(C(F)(F)F)CC1 376479196 WYLCJGCWDDXNJL-OAHLLOKOSA-N 337.382 2.889 0 50 EFAA C[C@H](C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)O)CC1)c1cccs1 263058966 BCCDXWODALIOSE-WHOFXGATSA-N 337.441 2.580 0 50 EFAA Cc1cccc(CNC(=O)CN2CCN(c3cccc(C)c3)CC2)c1 240705403 ALDZKTVWONZBQU-UHFFFAOYSA-N 337.467 2.742 0 50 EFAA CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CN1CCOCC1 174675684 ZWFGSVNNAMWPJU-OALUTQOASA-N 345.487 2.514 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@@H]1c1c(C)noc1C 220687863 WAWNGZKIPBPDMP-OAHLLOKOSA-N 344.415 2.700 0 50 EFAA Cc1cc2ccc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)cn2c1 225803538 POBNGIMDLHCEKJ-LJQANCHMSA-N 341.455 2.575 0 50 EFAA CCN(C)C(=O)c1cccc(-c2cccc(O[C@@H](C)C(N)=O)c2)c1 426387108 NYZABWLHWUJUIN-ZDUSSCGKSA-N 326.396 2.698 0 50 EFAA CCSCCNC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1 426730612 YIDXILNIICGHLK-UHFFFAOYSA-N 330.457 2.693 0 50 EFAA O=C(c1ccc(CN2CCCCCC2)cc1)N1CC(n2cccn2)C1 426571573 HDTAGSLMDPRWTH-UHFFFAOYSA-N 338.455 2.956 0 50 EFAA Cc1nc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(C)s1 179225193 IXJXTJUQFKEZSK-UHFFFAOYSA-N 349.481 2.856 0 50 EFAA C[C@@H](CNC(=O)N1CCCO[C@H](C)C1)c1nc(-c2ccccc2)no1 179228233 DXEKECRPPSVTPR-UONOGXRCSA-N 344.415 2.661 0 50 EFAA CCn1cc(-c2cn([C@@H](Cn3ccnc3)c3ccccc3)nn2)cn1 91604780 CAEWFZGEFOIXEP-SFHVURJKSA-N 333.399 2.648 0 50 EFAA COC[C@]1(O)CCN(Cc2cnn(-c3cccc(C)c3)c2)CC1(C)C 91746159 FJADMBVAKOGYEC-HXUWFJFHSA-N 343.471 2.790 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)Cn2ccnc2-c2ccccc2)n1 91593350 FSXWUQVLAIJPAJ-HNNXBMFYSA-N 337.427 2.568 0 50 EFAA CCc1nnc(-c2ccc(OC)c(NC(=O)NC[C@H]3CCCO3)c2)o1 96165068 YLYYSWXKTUYTBR-GFCCVEGCSA-N 346.387 2.608 0 50 EFAA CCc1nc(C)sc1CNC(=O)c1cc(-c2cccn2C)n[nH]1 92021020 IDFUEBDSEYTEIV-UHFFFAOYSA-N 329.429 2.673 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2nc(-c3ccc(OC)cc3)oc2C)C1 237266575 OQCWTUKXYYIXBV-AWEZNQCLSA-N 343.427 2.730 0 50 EFAA c1ccc(-n2nc([C@@H]3CCOC3)nc2C2(Cn3ccnc3)CC2)cc1 97475549 XLNCZMKVQIKMSH-OAHLLOKOSA-N 335.411 2.700 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)cc2C)[C@H]2C[C@@H](O)C2)cn1 244899783 ZQCAUZICDUAFGG-JTDSTZFVSA-N 340.423 2.949 0 50 EFAA COC(=O)c1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1 253412562 RJUKUXQXDHTHNN-UHFFFAOYSA-N 342.395 2.809 0 50 EFAA O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCc2ccccc21 263617004 LPEVVYLNHBRXFF-SFHVURJKSA-N 346.390 2.753 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@H]2CCCN(C3CCOCC3)C2)no1 299795558 NEPSFDUGLGUELY-HNNXBMFYSA-N 349.475 2.647 0 50 EFAA COc1ccc(CNCc2cccnc2)cc1OC[C@@H]1CCOC1 299760225 SXEHEGCIRGIFDK-QGZVFWFLSA-N 328.412 2.795 0 50 EFAA Cc1nccc(N2CCC(CNC(=O)c3ccc(F)c(C)c3)CC2)n1 825282589 FYPSRAMFKKHAND-UHFFFAOYSA-N 342.418 2.879 0 50 EFAA CCc1ncnc(NCc2nnc3cc(C(F)(F)F)ccn23)c1F 685945068 RSQRGYNYTBADNV-UHFFFAOYSA-N 340.284 2.852 0 50 EFAA Cc1ncc(CNC(=O)c2cccc(OC(C)C)c2Cl)c(O)n1 952876303 LOKZYYJBMHWLOL-UHFFFAOYSA-N 335.791 2.861 0 50 EFAA COc1cc(C)cc(CCNC(=O)C23CCC(C(=O)O)(CC2)C3)c1 1875271014 NBYNLNOTQOAJIK-UHFFFAOYSA-N 331.412 2.697 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1 1875369631 ZNDVGKVPCPMYOV-UHFFFAOYSA-N 336.382 2.741 0 50 EFAA FCCN1CCN(c2ccnc(CSc3ccccc3)n2)CC1 1165104009 YWNFKAQYCIVMMW-UHFFFAOYSA-N 332.448 2.860 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1ccn(C)c1C 952868019 WOAPOHOXGXZXNZ-UHFFFAOYSA-N 326.356 2.953 0 50 EFAA C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc2c(c1)CCO2 887328948 RSGGAGUBXZIYEE-CYBMUJFWSA-N 335.407 2.928 0 50 EFAA Cc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)nc1 888097440 KCFSFBMZXYVKAO-UHFFFAOYSA-N 329.375 2.562 0 50 EFAA COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2C2CCOCC2)cc1 888075928 AJLQBMLHIAUQFX-GFCCVEGCSA-N 329.400 2.803 0 50 EFAA CC1=CCN(C(=O)N[C@H]2C[C@@]3(CCNC3)Oc3ccccc32)CC1 1336273788 UJJGDTUHPWJFTF-QFBILLFUSA-N 327.428 2.604 0 50 EFAA CC(C)=CCNC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1341697083 NQGBBVRSIHWKIA-UHFFFAOYSA-N 340.427 2.709 0 50 EFAA CCOc1cc(C)c(S(=O)(=O)n2nnc3cc(C)ccc32)cc1C 1776004228 NHFQIJXJLIYCJJ-UHFFFAOYSA-N 345.424 2.992 0 50 EFAA O=C(CO[C@@H]1CCOC1)N=S(=O)(c1ccccc1)c1ccccc1 1361526954 ACDVXXGJXPTZIX-OAHLLOKOSA-N 345.420 2.905 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)CCc2c[nH]c3ccccc23)[C@@]12CCCO2 273793872 BXTCMZUPNFYNHN-NSHGMRRFSA-N 342.439 2.943 0 50 EFAA Cn1cc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c([C@H]2CCOC2)n1 276071585 UPGPPEIUFAAOAU-VIFPVBQESA-N 345.790 2.706 0 50 EFAA Cn1ncc2c(N)nc(N3CCC(c4c[nH]c5ccccc45)CC3)nc21 276285407 PNIJITJOJQCSNZ-UHFFFAOYSA-N 347.426 2.811 0 50 EFAA O=C(c1ccoc1)N1CCN(Cc2ccc(Br)o2)CC1 170607055 LQGHTHVHTHOVBW-UHFFFAOYSA-N 339.189 2.593 0 50 EFAA O=C(Nc1ccc(NC2CCOCC2)cc1)c1cccc2nn[nH]c12 170603056 QDODLTSUBYLRBB-UHFFFAOYSA-N 337.383 2.801 0 50 EFAA Cc1nc(CNC(=O)NCc2ccc(C(F)(F)F)cc2C)no1 170604548 VHNCJIHGVRIAAH-UHFFFAOYSA-N 328.294 2.705 0 50 EFAA O=C(C[C@@H]1CCNC1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 638465773 GBDKAIDRXLNCFA-HNNXBMFYSA-N 346.475 2.508 0 50 EFAA O=C(N[C@H]1CCc2[nH]ncc2C1)N1CCc2cc(Cl)ccc2C1 189600076 UAWONVFEDULYMB-HNNXBMFYSA-N 330.819 2.688 0 50 EFAA CS(=O)(=O)CCCNc1cccc(Cl)c1Br 190091404 XCMJONWMUBASNC-UHFFFAOYSA-N 326.643 2.949 0 50 EFAA CCOc1cc(O)ccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 190989350 LOFRGVPXGVURDX-CYBMUJFWSA-N 326.352 2.855 0 50 EFAA CCC[C@@]1(COC)CCCN1C(=O)N[C@@H](C)c1nnc2ccccn12 193455250 MBBAOUXQBCOSBH-KSSFIOAISA-N 345.447 2.781 0 50 EFAA C=Cn1cc(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cn1 193976026 QBXKOCIBYIFVJX-QGZVFWFLSA-N 340.427 2.904 0 50 EFAA CC(C)(c1ccc(C(=O)N[C@H]2CCNC(=O)CC2)cc1)C(F)(F)F 665660489 WPKGCAGBBSOMBF-CYBMUJFWSA-N 342.361 2.925 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)nc(N)n1 1506398294 BCFBDYGKKBNMPU-MRXNPFEDSA-N 325.416 2.630 0 50 EFAA CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)n[nH]1 1506430144 XTWUZCNNCNVYSS-NSHDSACASA-N 342.399 2.604 0 50 EFAA Cc1ccc(NC2(C(=O)NCCn3cncn3)CCCCC2)cc1 1506429659 WIWAIXYZAALCIN-UHFFFAOYSA-N 327.432 2.518 0 50 EFAA COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1cccc(F)c1 573872 FTYDDXPRPIXEMD-RIYZIHGNSA-N 342.326 2.594 0 50 EFAA CCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 2060821 ACRRTNCMXDOPHR-UHFFFAOYSA-N 338.477 2.752 0 50 EFAA O=C(CCc1ccc(F)cc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1615734328 DDQNFCIHVJRRFD-WMZOPIPTSA-N 328.387 2.527 0 50 EFAA Cc1cccc(C[C@H](C)NC(=O)c2cn(Cc3ccccc3C)nn2)n1 12198841 ZBXZELUVVNHGQM-INIZCTEOSA-N 349.438 2.699 0 50 EFAA O=C(NCCc1ccccc1)[C@H]1CC(Cc2ccc(F)cc2)=NO1 12206495 ASDNRLKEWULSNY-GOSISDBHSA-N 326.371 2.872 0 50 EFAA O=C(C(=O)N1CCO[C@H](CCCc2ccccc2)C1)c1ccco1 12303131 GEAJUOGGCBNEQW-MRXNPFEDSA-N 327.380 2.713 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1 12385167 LYUBYDBNDMSLJG-KRWDZBQOSA-N 347.434 2.631 0 50 EFAA O=C(CC1=CCCCC1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12704786 CEMVIIGSGHDRQD-SFHVURJKSA-N 338.451 2.761 0 50 EFAA O=C([C@H]1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1 15629476 NCPIWYMWMCOJDF-LJQANCHMSA-N 336.435 2.582 0 50 EFAA O=C(Nc1ncccn1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 17200482 YZENXTNPGOWYEB-UHFFFAOYSA-N 344.330 2.530 0 50 EFAA CCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1 2858342 CPQWEUKRAXOOEG-UHFFFAOYSA-N 328.416 2.832 0 50 EFAA CCCCc1nc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)c(Cl)[nH]1 1857697909 BANJRWMIKXCLSB-LLVKDONJSA-N 335.839 2.748 0 50 EFAA CCc1oc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1C 328612601 PJXJZZXVYOECTF-AWEZNQCLSA-N 333.388 2.871 0 50 EFAA Cc1ccc(-c2ncccc2NC(=O)N2CCC[C@@H](C(N)=O)C2)s1 252494045 NJMCLHYOJJALCU-GFCCVEGCSA-N 344.440 2.848 0 50 EFAA Cn1cncc1CCC(=O)NC1(c2ccccc2Br)CC1 252495026 OLAQNEJXDXBLAX-UHFFFAOYSA-N 348.244 2.921 0 50 EFAA CCOC(=O)N(C)C1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 495607745 ZFBKEKRBIMXACE-HNNXBMFYSA-N 346.427 2.501 0 50 EFAA CN(C(=O)c1noc2c1CCCC2)[C@H](c1ccccc1)c1nc[nH]n1 823653391 ZOGFULXJKDDROW-MRXNPFEDSA-N 337.383 2.533 0 50 EFAA Cn1c(C2CC2)nnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 825631373 UWEVADIFMKJAIO-UGSOOPFHSA-N 340.431 2.511 0 50 EFAA CC(C)Oc1cc(NC(=O)NCc2nc3c(s2)COCC3)ccn1 930991026 NXVLVCVSNFJOHL-UHFFFAOYSA-N 348.428 2.720 0 50 EFAA CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2NCc1cc[nH]n1 798273875 OLOBTHWHFNFERU-YPXDRJKUSA-N 334.464 2.971 0 50 EFAA COCCN1CCC[C@]2(CCCN2Cc2cccc(F)c2C)C1=O 2100547366 HRCPOMRWHVEGAI-IBGZPJMESA-N 334.435 2.738 0 50 EFAA C[C@@H]1C[C@@H](CS(=O)(=O)N2CC=C(c3ccccc3F)C2)CCO1 2325776278 KNTARPAREUVMHT-KGLIPLIRSA-N 339.432 2.670 0 50 EFAA O=C(O)[C@@H]1c2cc(Br)ccc2CCN1Cc1ccon1 2325788317 YCWQJWBDRPGBMX-ZDUSSCGKSA-N 337.173 2.621 0 50 EFAA COc1ccc2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)[nH]c2n1 2325850040 KCCBUZKSGHJHRT-MRXNPFEDSA-N 338.411 2.604 0 50 EFAA Cc1cc(F)c2c(c1)N[C@H](C(=O)NCC1(CO)C[C@H]3CCC[C@@H]3C1)C2 2325863169 YDNPIBKCYAPWCJ-LBTNJELSSA-N 346.446 2.776 0 50 EFAA Cc1coc(CNC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 2325879273 PCQUUTWJQBAKHS-IBGZPJMESA-N 331.435 2.805 0 50 EFAA COc1cc(CN2CC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)cc(OC)c1 246220320 VGUSJASFAHQAHY-NVXWUHKLSA-N 344.455 2.751 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1 249036 AWPLDXNHRNFCQY-UHFFFAOYSA-N 335.381 2.707 0 50 EFAA CCn1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(N)=O 612055 SDBWWWAVXOGLEZ-UHFFFAOYSA-N 341.293 2.665 0 50 EFAA COC(=O)CNC1=N[C@](OC)(c2ccc(Cl)cc2)c2ccccc21 2168142 WUQNYWYHZDGBCX-SFHVURJKSA-N 344.798 2.710 0 50 EFAA O=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1 2995975 RREMYOXQAFNCDU-FIFLTTCUSA-N 328.368 2.612 0 50 EFAA Cc1cccc(NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl)c1 3137407 SGEVCQAFLBYCBG-VIFPVBQESA-N 340.663 2.724 0 50 EFAA Cc1ccc(-n2cc(CN3CCC[C@@]34CCCNC4=O)cn2)cc1C 2356166051 UYENTOXWEGBHOV-HXUWFJFHSA-N 338.455 2.734 0 50 EFAA O=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4892255 ANTQNDKESCDJPE-PDGQHHTCSA-N 347.374 2.762 0 50 EFAA in-vitro COc1cccc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)c1 4980238 CLCHWEQFXXMQFD-UHFFFAOYSA-N 326.396 2.716 0 50 EFAA COC(=O)c1ccc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)nc1 55369160 AYCGIQLYZXJGKB-LLVKDONJSA-N 328.372 2.596 0 50 EFAA COc1ccccc1N1CC[C@H](C)N(C(=O)CCOC(C)C)CC1 225617360 UQTYIHWDISMCNM-INIZCTEOSA-N 334.460 2.938 0 50 EFAA C[C@@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1 23398835 CRLGKFHIFYYPOD-CYBMUJFWSA-N 326.400 2.915 0 50 EFAA OCCn1cc(NCc2c(F)cc(Br)cc2F)cn1 1364888079 RFVGFNJKEGXGDW-UHFFFAOYSA-N 332.148 2.528 0 50 EFAA CCOCCN1CCN(CCCc2nc3ccccc3o2)C[C@H]1C 247209598 POMZGNHFGUHEMN-MRXNPFEDSA-N 331.460 2.803 0 50 EFAA O=C(NC1CCN(C(=O)c2cc(C3CC3)on2)CC1)c1ccccc1 247874496 SIIZHCKQROQGJJ-UHFFFAOYSA-N 339.395 2.587 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C)c2)C1 347953898 UALFCCZMXIZLJD-OCCSQVGLSA-N 346.324 2.806 0 50 EFAA CCc1csc(CN[C@@H](C)Cn2cnc3ccccc3c2=O)n1 67641814 ZMCGAWDRRXUSTB-LBPRGKRZSA-N 328.441 2.594 0 50 EFAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)COC 23251764 HVYSWRPBRITHKW-UHFFFAOYSA-N 332.488 2.744 0 50 EFAA COc1ccc(OC)c2c1CN([C@@H](C)c1nc(C(C)C)no1)C[C@@H]2O 229558882 LMZDXKMYIWGSOF-AAEUAGOBSA-N 347.415 2.820 0 50 EFAA O=C(NS(=O)(=O)c1ncccc1F)c1cccc(-c2ccoc2)c1 252498644 RGVIVNOAOKJAFF-UHFFFAOYSA-N 346.339 2.599 0 50 EFAA CCC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 67601987 UWGPITULCYASDT-JTQLQIEISA-N 332.853 2.654 0 50 EFAA Cc1ccnn1CCC(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2)C1 12476201 KAIXRYVGVLFNPS-HXUWFJFHSA-N 346.519 2.942 0 50 EFAA CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3cc(F)ccc3s1)CC2 172257482 VPULHYPAHPUQNM-LBPRGKRZSA-N 344.415 2.939 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)c2ncsc2Nc2ccccc2)C1 328592781 IOKONMSXNREMBM-ZDUSSCGKSA-N 344.440 2.627 0 50 EFAA CCCCN1C[C@]2(CCCN(Cc3cnn(C)c3C)C2)CCC1=O 77437201 JONDNTFJNOAWFD-LJQANCHMSA-N 332.492 2.733 0 50 EFAA CC[C@H]1CN(C(=O)c2cc(C)no2)CCC(=O)N1Cc1ccccc1 71497775 QCYKNJPLJQFCSQ-INIZCTEOSA-N 341.411 2.636 0 50 EFAA C[C@@H](Oc1ccccc1CN(C)Cc1cc(C2CC2)n[nH]1)C(=O)O 215081423 QJXQRWXUIRLKKN-GFCCVEGCSA-N 329.400 2.771 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@H]1[C@@H]1CCCO1 253420877 FFBQUCHQTLXGMO-GJZGRUSLSA-N 333.436 2.959 0 50 EFAA Cc1cccc([C@H](O)CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 153280750 RLEOWRQOVRCUBV-VQTJNVASSA-N 338.451 2.809 0 50 EFAA Cn1ccnc1[C@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1 215892140 ZNRCSSIWBHFPRM-INIZCTEOSA-N 336.439 2.652 0 50 EFAA COc1cccnc1CNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 456901208 IHMMKOPOJJWZET-AWEZNQCLSA-N 340.427 2.652 0 50 EFAA O=C1CCCc2nc(NC(=O)[C@H]3CCc4ccccc4O3)sc21 333191439 VEJSLANRCFIMLZ-CQSZACIVSA-N 328.393 2.994 0 50 EFAA Cc1cccnc1-c1noc(C2=NN(Cc3ccccc3)C(=O)CC2)n1 370071859 JEVIUSGYGIOVEG-UHFFFAOYSA-N 347.378 2.967 0 50 EFAA Cc1ccccc1OC1CN(C(=O)COCC(F)(F)C(F)F)C1 219936423 JKACCPKFENXBQX-UHFFFAOYSA-N 335.297 2.502 0 50 EFAA CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33088923 JUCCSQLTPWJTLG-CYBMUJFWSA-N 328.412 2.664 0 50 EFAA O=C1NCCN1c1ccc(C(=O)N2CC[C@H]2c2ccccc2F)cc1 374030120 CZJBSAXXLGVONE-KRWDZBQOSA-N 339.370 2.943 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1ccnc(O)c1 458853466 LTAYGHOKBNCUFE-UONOGXRCSA-N 340.427 2.898 0 50 EFAA Cc1c(CN2CCCn3nc(CO)cc3C2)[nH]c2ccc(F)cc12 219784304 PARBIOLOPKCLQH-UHFFFAOYSA-N 328.391 2.710 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)c1cccc(NC(=O)C2CC2)c1 378473132 HSVCGCYDODHBAK-UHFFFAOYSA-N 337.379 2.755 0 50 EFAA CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 173302013 DJPPPCYZHSBUNM-QWHCGFSZSA-N 343.876 2.773 0 50 EFAA O=C(NCc1coc(-c2ccccc2)n1)c1cn(-c2ccccc2)nn1 132987719 YQAMGYVZSOLZGI-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA COc1ccc(-c2noc([C@@H](C)Cc3c(C)nn(C)c3C)n2)cn1 174840804 QACSGJRGONLYBN-JTQLQIEISA-N 327.388 2.837 0 50 EFAA O=C(COc1ccccc1F)NCc1nc(-c2ccccc2)no1 43996074 BVUNZUNMAIDBLK-UHFFFAOYSA-N 327.315 2.571 0 50 EFAA Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 221407844 WXMQSANKLZRWFJ-JTQLQIEISA-N 327.413 2.710 0 50 EFAA CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2n[nH]cc2C)CC1 289669836 ZLUYBXTYQUGOLR-HNNXBMFYSA-N 345.466 2.850 0 50 EFAA CCN(CC(=O)N1CCc2sccc2C1)[C@H]1CCOC(C)(C)C1 289725049 ISCYRSKCUXVYAZ-HNNXBMFYSA-N 336.501 2.912 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)c1cc(C2CC(O)C2)ncn1 220570251 FJHLGIFKXDWGSB-UHFFFAOYSA-N 335.411 2.537 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2COCCN(C)C2)c2cccc(Cl)c2n1 426361883 CXQYBJTWDRUMOL-ZDUSSCGKSA-N 347.846 2.505 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)on1 95378602 BQHSCZIZZHYWBI-MRXNPFEDSA-N 345.443 2.685 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@]2(C)CCCO2)C3)c1 96149739 JTNSQCXANPAFOA-IBGZPJMESA-N 341.411 2.539 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 237991961 YJTIAPKRKMMGPR-CDVVCGDMSA-N 329.396 2.881 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c2ccccc2n1 96165291 QFEFZXLKXUFWJH-GOSISDBHSA-N 340.423 2.689 0 50 EFAA CCN(C[C@H]1CCCO1)C(=O)c1cnc(Nc2ccccc2)nc1 97797794 JVIIRGKHODSKGB-MRXNPFEDSA-N 326.400 2.861 0 50 EFAA O=C(NCCCN1CCC[C@H](CO)C1)Nc1cc(F)cc(Cl)c1 97575019 GVUMBXCGQZIODO-LBPRGKRZSA-N 343.830 2.695 0 50 EFAA Fc1ccccc1-c1nnc2ccc(N[C@H]3CCCOCC3)nn12 182986392 WWMCPOIKZNCYIU-LBPRGKRZSA-N 327.363 2.911 0 50 EFAA CC(=O)O[C@@H]1[C@H]2[C@H]3[C@H]([C@H]4CCC[C@H]42)[C@@H]2[C@H](O)[C@@H]4CC[C@H]5[C@@H]1[C@H]3[C@H]2[C@H]45 253489442 FGFFAYLZTPAYER-PBXZONDGSA-N 328.452 2.719 0 50 EFAA C[C@H]1CCc2sc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)cc2C1 184485831 KLTBWXRANMVMDT-JTQLQIEISA-N 341.436 2.973 0 50 EFAA COCc1c(C(=O)O)c(=O)cc(C)n1CCc1ccccc1Cl 299774900 IKKLGGZSGQJYPR-UHFFFAOYSA-N 335.787 2.897 0 50 EFAA COc1cccc(NC(=O)NCCc2nc(-c3ccccn3)no2)c1 824781967 KBLVYJUNLZKRGS-UHFFFAOYSA-N 339.355 2.504 0 50 EFAA CC[C@H](NC(=O)N(Cc1cccs1)CC(C)C)C(=O)N(C)C 584890730 RXEDMMQZDUNZEV-AWEZNQCLSA-N 325.478 2.783 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1c(OC)ccc(F)c1F 823819627 GDHGVYICDQNWBH-UHFFFAOYSA-N 348.349 2.904 0 50 EFAA COc1cc(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)ccn1 685941805 CARJKWKSSWPACR-CVEARBPZSA-N 339.443 2.711 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1 863983896 MTTRCLXAYORBLR-CRAIPNDOSA-N 343.475 2.794 0 50 EFAA C[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@@H]1CNC(=O)OC(C)(C)C 866034698 NMXMBQGGSWZCFW-NEPJUHHUSA-N 331.420 2.555 0 50 EFAA CC(C)n1cc2cc(NC(=O)N3CC(O)(C(F)(F)F)C3)ccc2n1 952884349 YKUHIWHOGLHYGC-UHFFFAOYSA-N 342.321 2.758 0 50 EFAA Cc1nnc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)o1 952880490 OIPCMBKJDOSWTL-NSHDSACASA-N 345.403 2.647 0 50 EFAA CCOC1(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)CCC1 952848546 OXCSPVNTMHEJRJ-CABCVRRESA-N 344.459 2.593 0 50 EFAA Cc1nc(Cl)nc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1C 952992617 QCDAIHQLTALKSS-UHFFFAOYSA-N 348.809 2.848 0 50 EFAA COc1cccc2c1CCN(C(=O)c1ccc(CC(=O)O)cc1)C2 1875268945 VVFSSWKZWVGVDZ-UHFFFAOYSA-N 325.364 2.521 0 50 EFAA Cc1nc(C)c(C(=O)NCc2noc(-c3ccccc3F)n2)c(C)n1 1875262220 FFHZANAWMGXKGF-UHFFFAOYSA-N 341.346 2.521 0 50 EFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@]34CC[C@H]3CNC4)c12 1875287739 XXMZRYNHJVKKII-XOBRGWDASA-N 348.406 2.680 0 50 EFAA Cc1[nH]nc(-c2nc([C@@H](C)CNC(=O)c3ccccc3)no2)c1Cl 1875298868 QBZYBBBYJXVILG-VIFPVBQESA-N 345.790 2.955 0 50 EFAA CS[C@@H]1CCC[C@@H](NC(=O)C2(Oc3ccccc3)CCNCC2)C1 1875391418 OCUUTQHTSNFLHO-NVXWUHKLSA-N 348.512 2.978 0 50 EFAA Cn1nc([C@@H]2CCCN2)cc1C(=O)Nc1cc(-c2cccs2)[nH]n1 1875318083 DMSBMFMZTMXQPZ-JTQLQIEISA-N 342.428 2.549 0 50 EFAA C1CCc2c(nnn2CCN[C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 1875404779 USFBVQOUHHYYDF-IAGOWNOFSA-N 332.492 2.732 0 50 EFAA C[C@@H](NC(=O)NCc1nnc2ccccn12)C1CCC(F)(F)CC1 888093964 PFKCVAWJJNARPA-LLVKDONJSA-N 337.374 2.743 0 50 EFAA Cc1csc(SCC2CCN(c3nccn4cnnc34)CC2)n1 1775989254 IKZARROHXYFTGK-UHFFFAOYSA-N 346.485 2.898 0 50 EFAA CC(C)(C)OC(=O)N1CC(=C(F)CNC(=O)C2CCSCC2)C1 1775998634 FQYYIRPOUITVMN-UHFFFAOYSA-N 344.452 2.720 0 50 EFAA O=C1c2ccccc2CS(=O)(=O)N1C[C@H]1CC2(CCCCC2)CO1 1363174587 IVPXCQOJJKVJQZ-OAHLLOKOSA-N 349.452 2.712 0 50 EFAA O=S(=O)(Cc1cnn(CCF)c1)c1cccc(Br)c1 899475099 GRIAASCPOOELQI-UHFFFAOYSA-N 347.209 2.589 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCCc1nc2ccc(F)cc2n1C 408474577 FWGGFKJOSPANDV-KSSFIOAISA-N 347.434 2.822 0 50 EFAA Cn1cc(CCC(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)cn1 408515669 RZIXKODRCTUHDC-UHFFFAOYSA-N 347.325 2.979 0 50 EFAA O=C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)[C@H]2CCC[C@@H]12 408523432 RQDDXPJOBLEEOP-HIFRSBDPSA-N 341.436 2.718 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc(C(F)(F)F)cs2)C1 275322436 PGYCLKSEHSRWCQ-JGVFFNPUSA-N 334.323 2.820 0 50 EFAA Nc1nc(Cl)cc(N2CCC(c3ncc4n3CCCC4)CC2)n1 278890328 POXKJJRVIDNVBI-UHFFFAOYSA-N 332.839 2.629 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccnc(OC2CCCCC2)c1 190550557 KUYSPHDIBDESGU-OAHLLOKOSA-N 332.400 2.872 0 50 EFAA Cc1noc2ncnc(N3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)c12 192506209 IZXGYJVGCWJUHE-GXFFZTMASA-N 332.310 2.517 0 50 EFAA COc1ccc(COCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 684991911 NUZXHAKUOOOEFG-QRVBRYPASA-N 347.455 2.754 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(NCc3cccnc3)cc2)C[C@@H](C)O1 195136883 IWFGITOGTSWFPY-GASCZTMLSA-N 325.412 2.943 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NCCCc1nc(C)c(C)s1 1506395841 JEKBPWGYROUUPW-HNNXBMFYSA-N 348.468 2.557 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3cc4ccccc4o3)C[C@@H]12 1529138498 DFZUZWPBRDEOJU-MJGOQNOKSA-N 328.412 2.804 0 50 EFAA CC(C)(C)c1ccc(CN2CCN(CC[C@H]3COCCO3)CC2)cc1 1775983745 ADVUOEWDTJGOOT-FQEVSTJZSA-N 346.515 2.907 0 50 EFAA O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 5453113 KREZUMCQIDLSAL-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)cc1 12076270 BKLPGPZMNPHXON-KRWDZBQOSA-N 342.439 2.943 0 50 EFAA CC1(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 12199270 SSHNTBUQSFVHHF-MRXNPFEDSA-N 338.411 2.602 0 50 EFAA CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2C1 13363530 ZERPAPBOGRMNBU-UHFFFAOYSA-N 328.343 2.921 0 50 EFAA Cc1ccc(COc2ccccc2CNCCN2CCOCC2)cc1 19872377 ZCIOWRBLWIJQCV-UHFFFAOYSA-N 340.467 2.996 0 50 EFAA C/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1 2862853 VEPKWDMVDJIWGG-FNORWQNLSA-N 332.400 2.828 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CC)C2=O)cc1 4648940 DEYMRGFPFBMRFM-WMLDXEAASA-N 330.428 2.982 0 50 EFAA CN(CCn1cnc2ccccc21)CC(=O)N1CCc2ccccc21 1857681977 LBCRQDWNIMNHDS-UHFFFAOYSA-N 334.423 2.557 0 50 EFAA Cc1ccc(C)c(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1 1857730590 WXNZGOXJCOTKKK-QKLQHJQFSA-N 342.439 2.501 0 50 EFAA Cc1oncc1C(=O)N=c1nc(SCc2ccccc2)s[nH]1 1875245411 YNAGGLDHAMVTQE-UHFFFAOYSA-N 332.410 2.801 0 50 EFAA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCS(C)(=O)=O 408522783 DGKFEVOIGWFUKW-JTQLQIEISA-N 329.853 2.644 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(C(=O)O)cc1)C2 219807751 NQRQIEGFFGTCKZ-MSOLQXFVSA-N 342.439 2.774 0 50 EFAA COc1cc(OC)c2ncnc(N[C@H](C)c3cn(C)nc3C)c2c1 225712436 CGCNSELISMPZIC-SNVBAGLBSA-N 327.388 2.862 0 50 EFAA O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccccc1 4248302 AOWIGSJRJXBRAZ-IGDKPHCXSA-N 338.451 2.873 0 50 EFAA O=C(NC[C@]1(CCO)CCOC1)c1ccccc1Nc1ccccc1 119407446 UAOKEGZMPVQWSI-FQEVSTJZSA-N 340.423 2.949 0 50 EFAA O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(OCc2ccccn2)c1 448701641 PTGVGZFXDXZFKE-AWEZNQCLSA-N 339.395 2.658 0 50 EFAA COC1(CNC(=O)c2cccnc2O[C@H](C)C(F)(F)F)CCC1 241701792 QLCXHPXOQWDGEQ-SNVBAGLBSA-N 332.322 2.710 0 50 EFAA O=C(NCc1ccccc1OCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H]1O2 152647080 SHKQLNIKLIFBOT-BZPMIXESSA-N 344.333 2.747 0 50 EFAA Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c1 363561254 WQNLLWAAHBCOTJ-IAGOWNOFSA-N 340.471 2.929 0 50 EFAA CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1 263017683 ZOXGPFBWBXVWTQ-MRVWCRGKSA-N 332.400 2.713 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cnn(C)c1 266572391 WEFQEOCKPNFLBF-ZFWWWQNUSA-N 330.407 2.894 0 50 EFAA CN(C)c1nc2cc(NC(=O)c3cccc4c3OCO4)ccc2o1 164323868 LBQMCWHKVVXCIR-UHFFFAOYSA-N 325.324 2.875 0 50 EFAA CC1(C)CCC[C@H](CS(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)O1 901654842 ZPPMLSYJOJMOCV-LLVKDONJSA-N 345.392 2.613 0 50 EFAA CC(C)[C@H](NC(=O)c1cc(C(F)F)ncn1)c1nnc2ccccn12 931522560 QBXXWFYSXOCIRP-ZDUSSCGKSA-N 346.341 2.584 0 50 EFAA COc1cccc([C@H]2CN(C(=O)c3cc(C)c(C)cn3)CCO2)c1 934899992 JJPZTGPEZDSIRE-GOSISDBHSA-N 326.396 2.921 0 50 EFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C[C@@H]2CCCO2)s1 2325781226 ZCPYMSVYRQPFFV-WCQYABFASA-N 346.456 2.657 0 50 EFAA C[C@]1(CNC(=O)c2cc(-c3cc(F)ccc3F)on2)CCCNC1 2325789187 BYJZIUBKDZJTES-KRWDZBQOSA-N 335.354 2.739 0 50 EFAA CO[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc23)CCc2ccccc21 2325791442 ZNPLIHMMCUSBCZ-MRXNPFEDSA-N 336.395 2.652 0 50 EFAA CCOC1(CNC(=O)Nc2cnn3cccnc23)CCCCCC1 2325810480 MWTRXQRWJSVROB-UHFFFAOYSA-N 331.420 2.980 0 50 EFAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC1CCC2(CCC2)CC1 2325828083 YLDNVEZGSHJXHB-HNNXBMFYSA-N 337.508 2.586 0 50 EFAA CN(C)[C@H]1C[C@H](c2nc([C@H]3CCOC3)nn2-c2cc(F)cc(F)c2)C1 2325848357 DTMHIJNCINAXSD-HUBLWGQQSA-N 348.397 2.857 0 50 EFAA CC(=O)N(C)[C@H]1CCC[C@@H](NC(=O)Cc2cccc3cccnc23)C1 2325871765 YGICZNPWBAMHJJ-MSOLQXFVSA-N 339.439 2.683 0 50 EFAA O=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1 299481 VFOBSMYKUKRMRR-UHFFFAOYSA-N 340.242 2.970 0 50 EFAA COc1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1 2863012 IZKAJZZXFGXLPI-UHFFFAOYSA-N 340.379 2.501 0 50 EFAA CC[C@@H]1c2ccsc2CCN1C[C@H](O)COC[C@H]1CCCO1 246602654 KICJBMMDWHOOAQ-SQWLQELKSA-N 325.474 2.614 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1cccnc1-n1cccn1 115023948 JCFNPJDMUICRHF-KRWDZBQOSA-N 334.379 2.910 0 50 EFAA Cc1cnccc1C(=O)NCC[C@H]1CCCN(Cc2cccnc2)C1 67974089 MEBRJXYGNOAFFC-QGZVFWFLSA-N 338.455 2.817 0 50 EFAA Cc1cccc(CSc2sc3c(O)cc(=O)[nH]c3c2C(N)=O)c1 65365002 VYBPLCNHZKJVCW-UHFFFAOYSA-N 346.433 2.995 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H]1C(=O)Nc2ccccc21 249690690 KKXWHFZHPVZJHS-KBAYOESNSA-N 341.455 2.588 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348241054 JAVMFDZWLGLJAB-CRAIPNDOSA-N 347.361 2.816 0 50 EFAA COc1ccc(/C=C/CN2CCC[C@](O)(CN3CCCC3)C2)cc1 77489783 ZGNWZEZARBQBCG-XXIDSNJLSA-N 330.472 2.631 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3cccc(O)c3)C2)no1 112460158 RJAZZAJAYOSZLB-GXTWGEPZSA-N 344.415 2.809 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1 67673467 HLPJFICPFINWEZ-LBPRGKRZSA-N 349.456 2.526 0 50 EFAA CCc1nc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)no1 32587143 MWAXKCKETXEJQH-VIFPVBQESA-N 330.413 2.577 0 50 EFAA CCOC(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229746214 BTXXLTUZWBYUBH-HBUWYVDXSA-N 337.464 2.685 0 50 EFAA CC(C)c1cc(Br)ccc1NC(=O)N[C@H]1CNC(=O)C1 356222541 PMZNSOUPJAHAGO-SNVBAGLBSA-N 340.221 2.583 0 50 EFAA O=C(/C=C/c1cccc2ccccc12)NC[C@H]1CN2CCC[C@H]2CO1 253421291 ATGRVRZLFKFCOZ-MIMFYIINSA-N 336.435 2.832 0 50 EFAA Cc1nc(N(C)C)sc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 123940597 CENIPMKWXHHYGT-NSHDSACASA-N 349.460 2.905 0 50 EFAA O=C(NCC1(c2ccc(F)cc2F)CC1)[C@@H]1CCCN1C(=O)C1CC1 153010434 UBDAYIMXBUCRJV-INIZCTEOSA-N 348.393 2.514 0 50 EFAA CC(C)n1cc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cn1 77541615 SPZPHRAFSPZCFM-UHFFFAOYSA-N 330.407 2.956 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3F)CCO2)o1 328611810 MSBJTKRIVAOSTK-JTQLQIEISA-N 343.717 2.523 0 50 EFAA COC(=O)c1cc2cc(CN3C(=O)NC4(CCCC4)C3=O)ccc2o1 172693012 KETMZWLWJKRKGC-UHFFFAOYSA-N 342.351 2.584 0 50 EFAA COC1(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CCOCC1 367069675 XVFJZRJCJLEUFU-AWEZNQCLSA-N 337.391 2.740 0 50 EFAA Cn1cc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C(F)(F)F)n1 331657180 RUZFDSFBYYSMPC-SNVBAGLBSA-N 342.325 2.921 0 50 EFAA COc1ccc(CCCC(=O)N2CC([C@H]3CCOC3)C2)c(OC)c1 377070129 YSXHHTQMWKDMCJ-HNNXBMFYSA-N 333.428 2.521 0 50 EFAA O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)CC2=CCCCC2)n1 372774405 BWZINHIRBFDAOA-CQSZACIVSA-N 344.415 2.516 0 50 EFAA C[C@H](c1cccc(O)c1)N(C)C(=O)CNC(=O)c1ccc(F)c(F)c1 126418860 LCHLNWIRVHXMFB-LLVKDONJSA-N 348.349 2.620 0 50 EFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cc(F)cc2nc(S)[nH]c12 126823344 QWYBXNCDDYWYCR-IRUJWGPZSA-N 335.404 2.678 0 50 EFAA C[C@H]1CN(Cc2nc(O)c3c4c(sc3n2)CCC4)C[C@@H](C2CC2)O1 376439020 AITFERWDWRPBSM-GWCFXTLKSA-N 345.468 2.885 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c(C)n1C(C)C 236705267 AMCPMGIVQIWTPI-HNNXBMFYSA-N 336.432 2.782 0 50 EFAA CCc1nccn1CCC(=O)N1CCCN(Cc2cccs2)CC1 77488203 PMXYVDNGWLPTJF-UHFFFAOYSA-N 346.500 2.632 0 50 EFAA C[C@H]1C[C@H](O)CN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 340920899 XJLPKXDJTWFRNY-LPHOPBHVSA-N 338.451 2.690 0 50 EFAA C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cn2ncsc2n1 223001338 NZTMIDXXBWLYJY-NSHDSACASA-N 328.397 2.631 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCc1cn2cc(C)ccc2n1 91942996 IXCLEWKYSKFBOP-UHFFFAOYSA-N 325.416 2.913 0 50 EFAA CN(CC1(CO)CCOCC1)C(=O)Nc1cc(F)cc(Cl)c1 97636582 GYWNMVMOENJXFJ-UHFFFAOYSA-N 330.787 2.732 0 50 EFAA Cn1ccnc1CN(Cc1cnn(-c2ccccc2F)c1)C1CC1 97604085 CRKFNCOATHAUEF-UHFFFAOYSA-N 325.391 2.910 0 50 EFAA CN(CCN(C)C1CCCC1)C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 91619789 JKINZAUMTCTJDQ-UHFFFAOYSA-N 342.443 2.729 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)o1 293713677 MZFLKIRSBFTYRG-AWEZNQCLSA-N 343.427 2.953 0 50 EFAA CCOc1ccc(Cl)cc1[C@H](C(=O)O)N1CCC(CO)CC1 95382628 WIULXHJEYZDVEP-OAHLLOKOSA-N 327.808 2.569 0 50 EFAA O=C(NCc1nncn1C1CCCCC1)[C@@H]1COc2ccccc2C1 92077312 MHBYLBVQHWQGFM-HNNXBMFYSA-N 340.427 2.651 0 50 EFAA O=C(c1sccc1Cl)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91988553 QLMVJZGTWSBLQL-OLZOCXBDSA-N 342.892 2.568 0 50 EFAA CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)c1 295732154 UWWAEVIZSBMSAO-CYBMUJFWSA-N 335.448 2.906 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)ccc1OC)CC2 91620606 WXRGDVMGCVQOGK-UHFFFAOYSA-N 344.455 2.868 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@]2(CO)C1 91794125 VZVCPMVLNPBLBY-BZNIZROVSA-N 344.238 2.993 0 50 EFAA COc1cc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)ccn1 91305747 DSIMCHLTGZGDIY-UHFFFAOYSA-N 329.375 2.582 0 50 EFAA CN(C)c1nc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)cs1 95375682 VGCUKOWRQOFQLB-OAHLLOKOSA-N 344.484 2.606 0 50 EFAA CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1ncnn1CC 91871857 YVKHMHNNAQFOMS-CQSZACIVSA-N 341.415 2.679 0 50 EFAA CCc1csc(CCNC(=O)[C@H]2COc3c(cccc3OC)C2)n1 91755921 KAYKKZZXUVEYIW-CYBMUJFWSA-N 346.452 2.624 0 50 EFAA Cc1cnc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1 91662945 OLUKDLQIMZLFQE-UHFFFAOYSA-N 326.183 2.787 0 50 EFAA COCc1ccc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)o1 96141028 SUTPZEVAXGGMDB-MRXNPFEDSA-N 342.439 2.954 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCCn4cncc4C3)[nH]n2)s1 91270261 YTCRMPBVPQVIJZ-UHFFFAOYSA-N 327.413 2.689 0 50 EFAA CCc1nnc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)o1 244633347 GBJUDYKXEUOVMZ-KRWDZBQOSA-N 346.406 2.615 0 50 EFAA CN(CCC1(O)CCCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 244700998 JYCVJCKBXFBJCG-FQEVSTJZSA-N 346.515 2.905 0 50 EFAA CCCCc1nc(C)cc(NCCNC(=O)c2ccc(O)cc2)n1 243901593 BCYMXFYNHQUSGZ-UHFFFAOYSA-N 328.416 2.675 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)s2)[C@H]2C[C@@H](O)C2)cn1 252523039 BRKIOBYYUMYCFX-DVOMOZLQSA-N 332.425 2.702 0 50 EFAA Cc1c(CNC(=O)CC[C@H](C)N2CCN(C)CC2)oc2ccccc12 252481366 CJZVMIRDKSGWOC-HNNXBMFYSA-N 343.471 2.774 0 50 EFAA CCCC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)CCC1 534578964 MYFVXMANSFXUSF-MRXNPFEDSA-N 347.434 2.979 0 50 EFAA COC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccn1 534582611 KNMDGTYLPBWTHA-MRXNPFEDSA-N 330.359 2.688 0 50 EFAA Cc1nc(CN(C(=O)c2cccc(-c3cncnc3)c2)C(C)C)no1 299772207 SEHXLTVVIIJCOL-UHFFFAOYSA-N 337.383 2.886 0 50 EFAA C[C@H](CN)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 299768166 JVXOTLYPFPWFHB-QGZVFWFLSA-N 325.456 2.735 0 50 EFAA COCc1nc([C@@H]2C[C@@H]3C=C[C@H]2C3)n(-c2ccc3c(c2)OCCO3)n1 584899171 CNDVHHXOAILBIE-VNHYZAJKSA-N 339.395 2.865 0 50 EFAA CC[C@H](NC(=O)C1CCN(C2CCOCC2)CC1)c1ccncc1 584893202 FPXUWGOVELTYPN-SFHVURJKSA-N 331.460 2.540 0 50 EFAA O=C1C[C@H](C(=O)NCc2nc3c(s2)CCCC3)C2(CCCC2)O1 584892781 DCVQEQDXJSXUFK-LLVKDONJSA-N 334.441 2.514 0 50 EFAA CCn1cc([C@@H](O)CNC(=O)NCc2ccccc2C(C)C)cn1 1875277113 ITXRHBNEHQKWLF-KRWDZBQOSA-N 330.432 2.559 0 50 EFAA Cc1cccc(-c2cn([C@@H](C(=O)NC3CC3)c3ccccc3)nn2)n1 1875282947 ZACXWDWTVVOPSR-GOSISDBHSA-N 333.395 2.517 0 50 EFAA CN(C)[C@H](C(=O)N1[C@H]2CC[C@H]1CC1(C2)N=N1)c1c(F)cccc1F 1875369937 RTKGCXRHAOWQBU-PGUXBMHVSA-N 334.370 2.883 0 50 EFAA CC(C)(C)Oc1ccc(C(=O)N[C@@]2(CO)CC3CCC2CC3)nc1 1875357761 VTXYEYKOYRYQNJ-SVGDTCPJSA-N 332.444 2.930 0 50 EFAA 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CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(OC3CCC3)cc2)C1 644119769 DWNRDBNOASFANG-SJORKVTESA-N 341.411 2.943 0 50 EFAA N[C@@H]1CCCCN(Cc2nc(-c3cccc4ccccc34)no2)C1=O 644513018 UAQKMDVYYWEEFB-MRXNPFEDSA-N 336.395 2.730 0 50 EFAA O=C1NCCN(Cc2cc[nH]c2)[C@@H]1c1ccc(OC(F)(F)F)cc1 191655435 MNYMJIOXIQGCAY-CQSZACIVSA-N 339.317 2.586 0 50 EFAA COc1cccc(OC)c1C(=O)NCc1ccccc1-n1cccn1 195327548 MOOIRRROFCZSOK-UHFFFAOYSA-N 337.379 2.820 0 50 EFAA C[C@@H]1CCCN(Cc2ccccc2CNc2cncc3ncnn23)C1 679926338 OQABEKMXUSDVMG-OAHLLOKOSA-N 336.443 2.968 0 50 EFAA CCc1cc(NC[C@@H](C)Oc2cccnc2)nc(N2CCCC2)n1 1529159454 QZMPHBRDNXJCGP-CQSZACIVSA-N 327.432 2.914 0 50 EFAA O=C(CCc1ccccc1Cl)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704357658 VIZWMZCOJZOGNT-SJLPKXTDSA-N 344.842 2.730 0 50 EFAA COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1cccs1 471634 URNQEPBMANTQFX-UHFFFAOYSA-N 335.425 2.917 0 50 EFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1CC1)C2 14746047 DFBWVSZIKLDTAE-INIZCTEOSA-N 344.503 2.632 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@]1(O)CNC1CCCCCC1 14949360 IVMHBYFNTJPTRI-FQEVSTJZSA-N 348.462 2.992 0 50 EFAA CC1(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 14967909 QYICZFNRLXHSKL-LBPRGKRZSA-N 340.345 2.723 0 50 EFAA COCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCC(C)C)C3 14989397 HSHPMTQUPPPAQS-CYBMUJFWSA-N 349.500 2.597 0 50 EFAA CCCC(=O)N[C@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl 19315856 IJELYAPRVVJGHR-ATZCPNFKSA-N 331.671 2.708 0 50 EFAA COc1cc(CN2CCN(C3CCCC3)CC2)cc(OC)c1OC 19361660 NZTCEJSRHNKQQE-UHFFFAOYSA-N 334.460 2.773 0 50 EFAA Cc1ncc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)c(C)n1 19595182 KCMQSWQIGWWJTF-GOSISDBHSA-N 335.411 2.851 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N3CCN(c4ncccn4)CC3)cc2C1 7039141 RJUQPEHVSTYAOD-CYBMUJFWSA-N 342.468 2.625 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)NC12CC3CC(CC(C3)C1)C2 4870257 PVJWYJOZZHSIBE-UHFFFAOYSA-N 326.396 2.680 0 50 EFAA C[C@@H](C(=O)N1CCC(c2cc(O)no2)CC1)N(C)Cc1ccccc1 1857527048 PKPFTMQXMZSAEM-AWEZNQCLSA-N 343.427 2.607 0 50 EFAA COc1cc(OC)c2ncnc(N3CCOC4(CCCC4)C3)c2c1 302847399 HDLIXSKRCXKJND-UHFFFAOYSA-N 329.400 2.796 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@@H]2CCOC2)ncn1 328639448 PMZGJHFOPSCHDV-MPGHIAIKSA-N 334.464 2.565 0 50 EFAA CCCc1occc1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 241587876 OXUPRWFAJQFNMA-UHFFFAOYSA-N 338.367 2.769 0 50 EFAA COc1ccc(N(C)C(=O)c2cccc(Oc3cnccn3)c2)cn1 134659627 KMZYEYZOQDOCCA-UHFFFAOYSA-N 336.351 2.949 0 50 EFAA CSC[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1O 252497579 QKKFIQYSLMMAMZ-ZDUSSCGKSA-N 335.404 2.685 0 50 EFAA Cc1ccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 19812158 BUELKERURUOIFV-IBGZPJMESA-N 326.440 2.557 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)O)CC2)c1 262110106 KEUPLAZDPATNJQ-UHFFFAOYSA-N 345.848 2.949 0 50 EFAA CCOc1ccccc1OCC(=O)N1C[C@H](C)Oc2ncccc21 158757268 NBBUWMOTZHVAMI-ZDUSSCGKSA-N 328.368 2.673 0 50 EFAA C[C@]1(O)CCOC2(CCN(C3CCN(Cc4ccco4)CC3)CC2)C1 1704311806 SJGUGQNVQFQODG-IBGZPJMESA-N 348.487 2.640 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@@H]1CCC=CCCC1 906114673 SBBAGHUUZNTBRI-OAHLLOKOSA-N 343.427 2.629 0 50 EFAA CC1(C)CC[C@@H](C(=O)N2CCCN(c3ccc(C(=O)O)cn3)CC2)C1 911307623 HXCMPQXDEGVVLE-CQSZACIVSA-N 345.443 2.645 0 50 EFAA Cc1[nH]c2ccccc2c1SCCNC(=O)Nc1ncn(C)n1 1671909327 KAEPOTFUEGGMAK-UHFFFAOYSA-N 330.417 2.519 0 50 EFAA Cc1cc(C(=O)NC[C@H](N)c2ccccc2)c(C)n1-c1cccnc1 2325745588 KFAZTPPNEUDQOR-IBGZPJMESA-N 334.423 2.919 0 50 EFAA O=C(O)c1cnn(C2CCN(C(=O)C[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)c1 2325810069 FNQBAGSKHWJPRW-ILXRZTDVSA-N 343.427 2.737 0 50 EFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1 154350 NQBHDSLGAKITFX-UHFFFAOYSA-N 348.390 2.611 0 50 EFAA COc1cccc([C@@H]2C[C@H](c3cccc(F)c3)n3nnnc3N2)c1 222433 ASRBMUQEZSXELU-JKSUJKDBSA-N 325.347 2.967 0 50 EFAA O=S(=O)(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1 462367 BFENQIJCRWDWBN-UHFFFAOYSA-N 345.298 2.652 0 50 EFAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1Br 1164188 KBQWLFBRUKHFRP-UHFFFAOYSA-N 345.152 2.585 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)c2cc3cc(F)ccc3n2C)C1=O 2356165004 OWZZHMBGNWQKEW-IBGZPJMESA-N 343.402 2.544 0 50 EFAA 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CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 248129477 MVFLOJXPGOCWPA-QZTJIDSGSA-N 342.418 2.710 0 50 EFAA Cc1nc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(N(C)C)n1 67620829 HQMRXGGWDIRJMQ-HNNXBMFYSA-N 341.415 2.712 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)c1nccc(-c2cnn(C)c2)n1 23338028 QEELIAGVIADETQ-MRXNPFEDSA-N 348.454 2.840 0 50 EFAA Cc1c(CN2CC[C@@H](CNS(=O)(=O)C3CC3)C2)oc2ccccc12 67818459 KSUQOTPEMVSCAB-AWEZNQCLSA-N 348.468 2.645 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1F 4916889 GOHUTLCNVJFOPS-CQSZACIVSA-N 335.375 2.673 0 50 EFAA C[C@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cccnn2)C1 136398815 OANMECLMRWZDDK-WBVHZDCISA-N 326.444 2.762 0 50 EFAA CCOCC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 252487383 WCSQKPNGPBUUSA-RDJZCZTQSA-N 326.387 2.641 0 50 EFAA O=C(N[C@H]1CCN2CCCC[C@@H]12)C1=Cc2cc(Cl)ccc2OC1 229713988 ZKUPEOFMUVCZRZ-HOTGVXAUSA-N 332.831 2.859 0 50 EFAA Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCc1ccco1)CC2 120811851 IYWBJKKRQIOKEW-JTQLQIEISA-N 339.317 2.818 0 50 EFAA Cn1cc([C@H](O)CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)cn1 360078906 KOADKABDYQRVHW-RTBURBONSA-N 341.455 2.836 0 50 EFAA CSCc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)o1 219010058 OMZUAWIBSXHCBS-UHFFFAOYSA-N 346.437 2.986 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1F 282474779 IRKWEAQPJZYLGI-GDBMZVCRSA-N 333.334 2.922 0 50 EFAA CN(CCc1ccncc1)C(=O)CN1CCC(c2ccccc2)CC1 215397472 KPOSXLNMOJXCNP-UHFFFAOYSA-N 337.467 2.962 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1cccc(C(F)(F)F)c1)CCNC2 72476357 BBIBDPAFINCKOP-UHFFFAOYSA-N 349.356 2.985 0 50 EFAA Cc1ccc(C2=NO[C@H](CNC(=O)Cc3ccccc3O)C2)cc1C 283658147 ULLJAMGQUMHFSK-KRWDZBQOSA-N 338.407 2.861 0 50 EFAA COCCCN1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 72152184 YEFGPAXHHWFSIJ-DFQSSKMNSA-N 330.472 2.594 0 50 EFAA Cc1noc(C)c1C(=O)N(CCC(=O)O)Cc1ccc(F)c(F)c1 262079845 KPYVBEKZQSDJEU-UHFFFAOYSA-N 338.310 2.687 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCCCCCC3)ccc21 77285816 FMJAVHWMEQWYPK-UHFFFAOYSA-N 345.443 2.772 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 173729552 MWHARHFFNJNZNE-YJBOKZPZSA-N 343.471 2.897 0 50 EFAA Cc1cccc(OC2CCN(C(=O)CCn3ccc(C)n3)CC2)c1 77287644 HLLUBZRNMMMMFQ-UHFFFAOYSA-N 327.428 2.960 0 50 EFAA C[C@@H](NC(=O)c1c(O)cccc1O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216516161 HFTRYADNCWVQBM-AFGYVCNOSA-N 331.412 2.547 0 50 EFAA O=C(CCC(F)(F)F)N1CCN(C2Cc3ccccc3C2)CC1 219983647 YIUDWMGBAVDXMH-UHFFFAOYSA-N 326.362 2.641 0 50 EFAA O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N1CCCC1 284578167 ZKPHAFKQZVVKCP-UHFFFAOYSA-N 327.787 2.943 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H]1CCCCC[C@H]1O 287521271 KKSJWEKFLAYZGE-NXEZZACHSA-N 334.342 2.562 0 50 EFAA Cc1ccc2ncc(CN[C@H]3CCN(Cc4ccccc4)C3=O)n2c1 241470681 NWZQNPJQFYPGCY-SFHVURJKSA-N 334.423 2.533 0 50 EFAA CC(C)c1nnc(CN2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)o1 72417893 KDMDVVAYXCACJV-CQSZACIVSA-N 329.400 2.956 0 50 EFAA Cc1csc(-c2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)n1 241588190 PAPHGSYJTCHRGC-LLVKDONJSA-N 339.424 2.980 0 50 EFAA Cc1nc(Cl)c(Cl)cc1C(=O)N1CCc2ccnc(O)c2C1 287175318 SWTZYPHMAUDZJJ-UHFFFAOYSA-N 338.194 2.996 0 50 EFAA C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccncc1F 338185733 VIXKEBKOXRZNEH-NEPJUHHUSA-N 345.349 2.590 0 50 EFAA COC(=O)c1cc(Br)c(OC)c(Br)c1N 334161643 DAZCUHABNJUDOC-UHFFFAOYSA-N 338.983 2.589 0 50 EFAA CC(C)[C@H](N)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 236741247 GRFDAVGIIHHQCS-KRWDZBQOSA-N 337.895 2.652 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 95530688 NCPXSUJZSOTOEQ-CYBMUJFWSA-N 330.409 2.671 0 50 EFAA Cc1c(CCC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cnn1C 179528244 PCSHKKDGJOZGQH-OAHLLOKOSA-N 347.846 2.994 0 50 EFAA Cc1nc2cc(CC(=O)NC[C@H]3COc4ccccc4C3)ccc2[nH]1 91974245 JIFKDEUMWIRFFV-HNNXBMFYSA-N 335.407 2.781 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1Cc3ccccc3CN1C)nn2C 95353630 RXJOAQURVARFFA-HXUWFJFHSA-N 348.450 2.555 0 50 EFAA Cc1nc2cc(C(=O)N3Cc4nnc(C)n4[C@H](C)C3)ccc2s1 96148159 ODWUVOKVXMBCKY-SECBINFHSA-N 327.413 2.722 0 50 EFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccccc1 239165324 NYFTUQKVWQQNEP-CWLKWCNXSA-N 342.391 2.804 0 50 EFAA O=C(NCCn1ccc2ccccc21)[C@@H]1CC(=O)N(C2CCCC2)C1 97610069 FTUQHWRZJXNLHN-MRXNPFEDSA-N 339.439 2.549 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95357609 MSVPAVCWGKIZAJ-MRXNPFEDSA-N 341.411 2.929 0 50 EFAA CN(C)C[C@@H](NC(=O)c1ccc(-c2ncn[nH]2)cc1)c1ccccc1 184046513 NSYROWRTOXCYAH-QGZVFWFLSA-N 335.411 2.504 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN(Cc3nnc(C4CC4)o3)C1)CCCC2 299746987 BSVGSDYBIONFEC-CQSZACIVSA-N 327.432 2.778 0 50 EFAA O=C(Cc1ccsc1)N1CCN(C2Cc3ccccc3C2)CC1 299777550 LHTDQHVZQZATBR-UHFFFAOYSA-N 326.465 2.602 0 50 EFAA Cc1cccc(-c2nc(CNC(=O)N3CC[C@H](N(C)C)C3)cs2)c1 584886929 VDGRMLUMLAHWIL-INIZCTEOSA-N 344.484 2.964 0 50 EFAA O=C(O)[C@@H]1CC2(CCOCC2)CN1Cc1cc2ccc(F)cc2[nH]1 1875283299 NBKDLPYBNJQGPK-INIZCTEOSA-N 332.375 2.763 0 50 EFAA Cc1nc2ccccc2n1[C@H](C(=O)N[C@@H]1CCn2ccnc21)C(C)C 1875265659 SGYIXYAZHYREIL-WBVHZDCISA-N 337.427 3.000 0 50 EFAA Brc1cccc(-c2noc([C@@H]3CCc4ncnn4C3)n2)c1 1875259360 UOQOEDGSGPBZOJ-SNVBAGLBSA-N 346.188 2.821 0 50 EFAA CC(C)c1cccc(CNC(=O)N2CCN3C(=O)OC[C@]3(C)C2)c1 1875289078 RMFBHEHARPCZDJ-SFHVURJKSA-N 331.416 2.546 0 50 EFAA COc1ccc(CN2[C@H](C(=O)O)C[C@@H]3O[C@H](C)C[C@@H]32)cc1Cl 1875291289 UHOGCOLSQBUNPD-IRIUXVKKSA-N 325.792 2.554 0 50 EFAA CN(CCc1cccs1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 886088711 PHDSLIDJOZGSTM-GJZGRUSLSA-N 334.464 2.625 0 50 EFAA CCN1C(=O)C[C@@H](CNc2nc3ccccc3n2C)[C@@H]1c1cccnc1 886027821 ZKPIOUPZNMTYAI-KXBFYZLASA-N 349.438 2.990 0 50 EFAA c1cc(-c2csc(C3CCN(CCc4cnn[nH]4)CC3)n2)ccn1 1333277988 GYCSYHQRGBLYDT-UHFFFAOYSA-N 340.456 2.745 0 50 EFAA Cc1ccc(-c2noc([C@H]3OCC[C@H]3CN)n2)cc1N1CCCC1 888078487 VUFLHFGVIVQXKL-HOCLYGCPSA-N 328.416 2.682 0 50 EFAA Cn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CCC[C@H](O)C2)c1 304378985 XWRLAMOARYQROP-CJNGLKHVSA-N 328.416 2.760 0 50 EFAA CC(C)[C@@H]1N(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC12CCC2 1776002557 ORNANKYVIOMFCV-KRWDZBQOSA-N 348.468 2.771 0 50 EFAA O=C(/C=C\c1ccco1)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 222166373 TYBBNFPTJXDLOL-LEXSJLIMSA-N 342.326 2.725 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)Nc1ccc(F)cc1-n1cccc1 170595153 XTNCIQNPRGCXFS-UHFFFAOYSA-N 325.347 2.724 0 50 EFAA Cc1nc(CO[C@H]2CCN(C(=O)CC[C@@H]3CCCCO3)C2)cs1 170599090 TZPSMYYLANRWCD-HOTGVXAUSA-N 338.473 2.918 0 50 EFAA Nc1nccc([C@H]2CCCN(c3cc(Cl)nc(C4CC4)n3)C2)n1 170616225 BISKICJQMLRFCS-NSHDSACASA-N 330.823 2.764 0 50 EFAA CCOC(=O)C1CCC(O)(COc2ccc3ccc(=O)oc3c2)CC1 191733100 UZLMNOUUKOHEIX-UHFFFAOYSA-N 346.379 2.656 0 50 EFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1snnc1C(C)(C)C 191951077 ICUOZGPDYYVJIX-NSHDSACASA-N 347.440 2.748 0 50 EFAA CN1CC[C@@H](NC(=O)CCc2ccc(-c3ccccc3F)o2)CC1=O 194195761 SOXZKYUMIKATEB-CYBMUJFWSA-N 344.386 2.755 0 50 EFAA O=C1N[C@@]2(Nc3ccccc31)C(=O)Nc1c(Cl)ccc(Cl)c12 195264443 PMTYJWGRFGEOIC-OAHLLOKOSA-N 334.162 2.954 0 50 EFAA Fc1cnc(NCCc2cn3ccsc3n2)nc1N1CCCC1 1529169012 PYYXDDHVVTVTGP-UHFFFAOYSA-N 332.408 2.580 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCN12 1529177711 DERPSJKZAGBXSS-JKSUJKDBSA-N 346.446 2.569 0 50 EFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC[C@@]2(CCC[C@H]2O)C1 1704336899 LFXUTIDDTAJYMT-IYNKWFCDSA-N 347.499 2.861 0 50 EFAA C[C@H]1CN(C(=O)CCCOCc2ccccc2)C[C@]1(O)C1CCC1 219685640 PPHARWIWPMCDQI-OXJNMPFZSA-N 331.456 2.993 0 50 EFAA CCCCN1CCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 1704312420 AYEPWCPIKJQLCT-UHFFFAOYSA-N 329.400 2.962 0 50 EFAA Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 422612 NSFDRFZRROTYTN-UHFFFAOYSA-N 339.424 2.916 0 50 EFAA Cc1cccc(N2CCC(N3C[C@@H]4COCC[C@]4(CO)C3)CC2)c1C 1772708555 DWBRTIUVOUWKQH-WIYYLYMNSA-N 344.499 2.603 0 50 EFAA CCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 15079301 QBIOKCPUEJKOLD-SFHVURJKSA-N 336.382 2.716 0 50 EFAA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccccc1F 16392989 GKTRZFNVJZDKDT-UHFFFAOYSA-N 326.327 2.738 0 50 EFAA O[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1NCc1cccc(OCC2CC2)c1 1857527786 HFYJYDQURUECMQ-IHPCNDPISA-N 341.455 2.601 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1nn(C)c2ccccc12 1857677025 PMBDLPZGGYGZCN-UHFFFAOYSA-N 333.395 2.695 0 50 EFAA C[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1C(F)(F)F 237538274 CYNBJYDXFAJUPY-ZWNOBZJWSA-N 345.317 2.511 0 50 EFAA O=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 339779918 HURMJMUBGPUQIW-GJZGRUSLSA-N 349.793 2.621 0 50 EFAA Cc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 13481908 QBRLTNYECODTFP-LLVKDONJSA-N 328.320 2.569 0 50 EFAA biogenic,in-vitro CCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(OC)ccc21 16648446 KWTXXDAFRCGEES-UHFFFAOYSA-N 337.379 2.986 0 50 EFAA CC(C)(C)n1ncnc1Cn1cnc2sc3c(c2c1=O)CCCC3 252492005 MAWLUUAEOGKAEH-UHFFFAOYSA-N 343.456 2.732 0 50 EFAA COCCOCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 370078806 XBIGBVKAXXOWSR-RTBURBONSA-N 346.471 2.944 0 50 EFAA C[C@H](c1ccccc1)n1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)n1 910637689 IDCBLHPEUBTAFZ-RGZNSWCXSA-N 325.368 2.686 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1C1CCCC1 2325773408 UTNXADWOSHBJNK-JKSUJKDBSA-N 331.412 2.781 0 50 EFAA C[C@H]1CC(=O)Nc2ccc(C(=O)NCC3Cc4ccccc4C3)cc2N1 906726494 FJSQZJZBMYSYSM-ZDUSSCGKSA-N 349.434 2.974 0 50 EFAA COc1cccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 352155 QLOFJRJIVNIGEZ-SWLSCSKDSA-N 342.317 2.948 0 50 EFAA C[C@@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O 529273 ZNHWGANOJTUEQD-VIFPVBQESA-N 344.754 2.669 0 50 EFAA CN(C)c1ccc(-c2ccnc(N3C[C@H]4CC[C@@H](C3)N(C)C4)n2)cc1 2356134702 YMDSOULKKFQULX-YJBOKZPZSA-N 337.471 2.740 0 50 EFAA O=C(O)CCCCCN1C(=O)c2ccc(Br)cc2C1=O 3188583 BIDILBINQOVPJQ-UHFFFAOYSA-N 340.173 2.690 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)n1 246319308 CYMMRPSQMSZUFO-PMPSAXMXSA-N 327.428 2.613 0 50 EFAA C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(F)c2ccccc12 281070337 QJKLTGAEVAJSPZ-GFCCVEGCSA-N 335.400 2.628 0 50 EFAA Cc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3Cc2ccco2)cc1 8991519 QDIMQLUZWQCUOR-UHFFFAOYSA-N 333.347 2.702 0 50 EFAA COc1cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)ccc1C 112262940 YZNSIUHHJJDMKY-HNNXBMFYSA-N 342.370 2.678 0 50 EFAA COC(=O)c1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1 20539949 YPRSAJNHEFVUHU-INIZCTEOSA-N 327.380 2.575 0 50 EFAA CCCCc1ccc(-n2cc(CN[C@@H]3C=CS(=O)(=O)C3)cn2)cc1 55393619 BCLIGPUZAFMSOP-QGZVFWFLSA-N 345.468 2.615 0 50 EFAA c1cncc(-c2n[nH]cc2CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 344868094 UYCPLEAJMZRKPH-CQSZACIVSA-N 336.399 2.722 0 50 EFAA Cc1ccc(NC(=O)CCNC(=O)C2CCN(C(C)C)CC2)c(C)c1 65372618 ZDXZWVUGVCSYBA-UHFFFAOYSA-N 345.487 2.869 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccccc2)c1 65470545 CMMSCUNWUGESJW-MRXNPFEDSA-N 332.787 2.762 0 50 EFAA Cc1ocnc1-c1noc([C@@H]2CCCCN2C(=O)c2cccnc2)n1 350287338 ASRPKAAONQOGDV-ZDUSSCGKSA-N 339.355 2.795 0 50 EFAA CC(=O)NCc1nc(-c2ccccc2)nn1-c1cc(F)ccc1F 63869149 LVGYXCDINJUGMJ-UHFFFAOYSA-N 328.322 2.849 0 50 EFAA Cc1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 65362343 HRXYCGKFHFZJSL-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CC[C@H](C(=O)N1CCCOc2c(cccc2OC)C1)n1cccn1 67851491 ZFFQQJFMUWPFAT-OAHLLOKOSA-N 329.400 2.654 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 229548120 BXPQZKPWUHUWCC-NJAFHUGGSA-N 325.412 2.859 0 50 EFAA CC(C)c1nc(CCNC(=O)[C@H]2CCCN(C3CCCCC3)C2)no1 65385021 FPLQCBKHGMMFQP-HNNXBMFYSA-N 348.491 2.896 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)Nc2nc(C)cc(N(C)C)n2)CC1 282539381 CRZJMKNWYYXFKM-CQSZACIVSA-N 335.452 2.664 0 50 EFAA O=C(CCNC[C@@H](O)c1ccccc1Cl)NCc1cccs1 65380334 IGKUOCFOIHMFTM-OAHLLOKOSA-N 338.860 2.731 0 50 EFAA Cc1c(Br)c(C(=O)Nc2cccnc2Cl)nn1C 2760090 SRVTWTWNNPCSSX-UHFFFAOYSA-N 329.585 2.792 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([S@](C)=O)cc1 328651928 WEFBTOSWWPJIKA-UAVUOLJFSA-N 347.484 2.650 0 50 EFAA CC(C)N1CCN(CCCN2CCc3c(F)cc(F)cc3C2)CC1 253397196 WVKPKSFBJWXHBJ-UHFFFAOYSA-N 337.458 2.739 0 50 EFAA CN1CCC[C@H](CNC(=O)CCc2cnn(C)c2)[C@@H]1c1cccs1 253419153 KAURBZDLHIRLQL-CRAIPNDOSA-N 346.500 2.614 0 50 EFAA COc1ccc(CN2CCN(CCc3scnc3C)CC2)cc1F 172521719 IGNZAHYXLRFQOC-UHFFFAOYSA-N 349.475 2.960 0 50 EFAA COC[C@@H]1CN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CCO1 172630127 GYEXCTMCKWXRBJ-MOEXGYKKSA-N 346.814 2.775 0 50 EFAA CC[C@H]1CN(C(=O)c2ccccn2)CCC(=O)N1Cc1ccccc1 71721586 UNMSKBQMHSHJGH-KRWDZBQOSA-N 337.423 2.735 0 50 EFAA Cc1cc(CO)oc1C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 366440533 CJKUPPXOVXQXLU-LJQANCHMSA-N 327.380 2.690 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)on1 368201763 OABCPWRAEVCSCX-CYBMUJFWSA-N 326.356 2.547 0 50 EFAA CC(C)c1nc(Cn2ccnc2-c2ccc(S(C)(=O)=O)cc2)no1 71764866 GFXIJKWIHMPTLV-UHFFFAOYSA-N 346.412 2.508 0 50 EFAA O=C(CCCc1ccccc1)N1CCN(C2CCCC2)[C@@H](CCO)C1 72426503 CFNWDDNYUWTZCV-FQEVSTJZSA-N 344.499 2.847 0 50 EFAA C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)c1ccnc(O)c1 458853464 LTAYGHOKBNCUFE-KBPBESRZSA-N 340.427 2.898 0 50 EFAA CN1CCN(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)CC1 72168923 FOKAHVMYXQGCPP-KRWDZBQOSA-N 331.460 2.547 0 50 EFAA Cc1c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)oc2ccc(F)cc12 262611457 AVRFGOGHGLSVOO-GFCCVEGCSA-N 341.360 2.508 0 50 EFAA FC(F)(F)c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)cc1 130233125 QWRNNQOCHGOFJK-UHFFFAOYSA-N 348.332 2.698 0 50 EFAA Cc1ccc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c(C)c1 72427349 XOFLSBHWYKCCRQ-SFHVURJKSA-N 341.503 2.873 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(Br)cn1 284675741 XQDBXCDGORXVBP-NFAWXSAZSA-N 341.249 2.600 0 50 EFAA CC(C)C[C@@H]1CCN(c2ccnc(C(=O)NCCc3c[nH]cn3)c2)C1 72157571 OXAFCCDINLZOFQ-HNNXBMFYSA-N 341.459 2.650 0 50 EFAA CCc1ccccc1OCCN(C)c1cc(C2CC(O)C2)ncn1 219977678 HCJHVOKTACYROL-UHFFFAOYSA-N 327.428 2.793 0 50 EFAA CN1C[C@]2(CCCN(Cc3cnc(C4CCCCC4)nc3)C2)OC1=O 216190211 OUQUACIEFDQEQW-IBGZPJMESA-N 344.459 2.941 0 50 EFAA O=C(NCCCNc1ccccn1)N1CCC=C(Br)C1 239366865 AGFJOLZDJJFSRQ-UHFFFAOYSA-N 339.237 2.578 0 50 EFAA CCSCCCNC(=O)Nc1ccc(F)cc1S(=O)(=O)CC 337520937 CNENYJIEQKHWEK-UHFFFAOYSA-N 348.465 2.884 0 50 EFAA O=C(N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cocn1 1440047193 PGMHFFUJQLJPKS-IKGGRYGDSA-N 325.412 2.705 0 50 EFAA Cc1cc(CO)oc1C(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289150580 QEIJTSIWDNFIGM-ZDUSSCGKSA-N 332.404 2.689 0 50 EFAA COC(C)(C)CNC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 426575088 WGIWRDTZDIZWHI-UHFFFAOYSA-N 340.851 2.758 0 50 EFAA CO[C@@H]1COCC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 222925795 QPPFJGGPQROHNH-WOJBJXKFSA-N 330.472 2.538 0 50 EFAA Cn1cc([C@H](NCc2cnn(CC(F)F)c2)c2ccc(F)cc2)cn1 292741632 QSJPISNBTUVCFQ-QGZVFWFLSA-N 349.360 2.900 0 50 EFAA CCCn1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(C)n1 92038740 PSWWLMJXYHREKW-UHFFFAOYSA-N 347.850 2.612 0 50 EFAA Cc1ccc(CN(CCO)C(=O)NCCc2cccc(F)c2)s1 426396379 GXMLGJJORLHVAF-UHFFFAOYSA-N 336.432 2.942 0 50 EFAA Cc1cc(Br)ccc1NC(=O)CN(C)Cc1c[nH]cn1 179665768 XDHGWLLWPYVBFT-UHFFFAOYSA-N 337.221 2.551 0 50 EFAA CC(=O)c1cc(CC(=O)N2CCC(c3nccn3C)CC2)cs1 97346892 APTFTTHXBTTXJT-UHFFFAOYSA-N 331.441 2.633 0 50 EFAA COc1cccc(N2CCN(C(=O)CC[C@@H]3CCCCN3C)CC2)c1 95383441 HNVXHGMQZLJHLJ-KRWDZBQOSA-N 345.487 2.608 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)o1 179891159 DHXCIBKBYNGLEF-UHFFFAOYSA-N 342.321 2.984 0 50 EFAA COCCN(C(=O)Nc1cc(C)c(OC)c(C)c1)C1CCN(C)CC1 96166338 DTTYJEFPLSFVSU-UHFFFAOYSA-N 349.475 2.887 0 50 EFAA Cc1ccc(N2C[C@H](Nc3nc4c(s3)c(C)nn4C)CC2=O)cc1 96150927 CFYLEQJRNYWRMP-GFCCVEGCSA-N 341.440 2.864 0 50 EFAA Cc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cn1 96138186 BLSUVYNNQKMGOR-UHFFFAOYSA-N 334.466 2.795 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)c1cc(=O)[nH]c3ccccc13)nn2C 91644471 GCWHLOCTLGCECQ-UHFFFAOYSA-N 346.390 2.653 0 50 EFAA CCc1cc(C(=O)N2CCc3ccc(OC)cc3[C@@H]2C)cc(=O)[nH]1 97797772 WJMQNENSXPSGLT-LBPRGKRZSA-N 326.396 2.705 0 50 EFAA C[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 184652261 XHIQQBFXFYCDKB-FUHWJXTLSA-N 330.472 2.972 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CCC2)[C@H]1CC12CCC2 247726688 DVINIPICESTBEM-FPCVCCKLSA-N 330.472 2.910 0 50 EFAA O=C(N[C@@]1(CO)CCOC1)c1cc(-c2ccccc2)ccc1Cl 182871621 XZTUXUSVBUOOGL-GOSISDBHSA-N 331.799 2.888 0 50 EFAA C[C@@H]1CN(C(=O)N[C@@H]2CCc3c(O)cccc32)CCN(C2CC2)C1 297800457 FBUZTWFTOKWZFU-SUMWQHHRSA-N 329.444 2.505 0 50 EFAA CC(C)Cn1ccc2c(OCC(=O)NCCc3c[nH]cn3)cccc21 253408723 KZSKAPKQAVSHEX-UHFFFAOYSA-N 340.427 2.758 0 50 EFAA biogenic O=C(CCCn1cnnn1)N1CCC[C@H](c2ccc(Cl)cc2)C1 299796045 NOMBKMJFIOZMFX-AWEZNQCLSA-N 333.823 2.513 0 50 EFAA CSc1ncc(C(=O)NC[C@@H]2CCOc3ccccc3C2)cn1 299755443 CYZRDKREPUSZFO-GFCCVEGCSA-N 329.425 2.570 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)NCCc1noc(C2CCCC2)n1 299797461 RMHAWFRMZCLZAH-LBPRGKRZSA-N 331.420 2.542 0 50 EFAA CCCc1cnc(N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc1 823012058 OOHBJGCDKNTKMN-AWEZNQCLSA-N 326.400 2.655 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)NCc1cccs1 821294796 LBYGJDWZUNDPLP-AWEZNQCLSA-N 329.469 2.994 0 50 EFAA COc1ccc(Oc2ccc(C(=O)N[C@H]3COC[C@@H]3OC)cc2)cc1 824506871 XPKHKOGFRMLIKO-ROUUACIJSA-N 343.379 2.631 0 50 EFAA Cc1cc(CNC(=O)N(C)CC[C@@H](O)c2ccccc2)cnc1C 584886181 FVAJACXNTUMLFC-GOSISDBHSA-N 327.428 2.964 0 50 EFAA Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2ccc(C)c(Cl)c2)n[nH]1 685940098 QDXYTELKKSPNJY-JSGCOSHPSA-N 334.807 2.583 0 50 EFAA C[C@H]1Cc2ccccc2CN1C(=O)c1cnc(C2CCN(C)CC2)[nH]1 685941350 AOWNOWOISHUSER-AWEZNQCLSA-N 338.455 2.806 0 50 EFAA CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3n[nH]cc32)cc1OCC 65470074 RCWFEWZBHLSUGL-LLVKDONJSA-N 329.356 2.516 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc3nnc(C(F)F)n3n2)C1 269055232 RNUGNZLBNAUVJZ-ODVCRQGFSA-N 343.403 2.554 0 50 EFAA C1CCC(c2noc([C@H]3CCc4nnn(C5CCOCC5)c4C3)n2)C1 952895600 XUNMLVIYIDWVSI-ZDUSSCGKSA-N 343.431 2.943 0 50 EFAA O=C1CCN(C[C@@H]2CCCO2)C(=O)N1Cc1cc2ccccc2[nH]1 1875293247 IRCATOPNAXPKTO-HNNXBMFYSA-N 327.384 2.501 0 50 EFAA CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)Nc3conc3C)cc21 1875280992 KLNQJXHFQMQLOG-JTQLQIEISA-N 349.412 2.644 0 50 EFAA COCc1cc(Nc2cc(OC3CCOCC3)ncn2)ccc1OC 1875286673 AGTVEFDDFQAQFT-UHFFFAOYSA-N 345.399 2.933 0 50 EFAA C=CC(=O)N(C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1875374172 DJBKDWCMCWJVMZ-UHFFFAOYSA-N 338.448 2.580 0 50 EFAA CO[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](F)[C@@H](c2ccccc2)C1 1875362478 HCUOJJVQNZMZJL-VQHPVUNQSA-N 341.448 2.711 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(CCc2cccc(F)c2)C2CC2)CC1 1875365598 FCSAKBLGVADZGI-UHFFFAOYSA-N 344.430 2.784 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cc(COC)cs2)cc1 1875373628 IOEZTIRXYFOSJO-UHFFFAOYSA-N 344.436 2.973 0 50 EFAA CC(C)c1csc(CNC[C@@H](c2ccccn2)N2CCOCC2)n1 952967666 LQEQIRSDOUWENC-KRWDZBQOSA-N 346.500 2.825 0 50 EFAA OC[C@H]1CCCCN1CCNCc1ccc(-c2ccccn2)cc1 952966471 JQNKRERKNLENHP-LJQANCHMSA-N 325.456 2.685 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1OC 952869157 IUSXPVCYRXSAHT-ASGBYOPQSA-N 344.411 2.511 0 50 EFAA CCc1cnc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)o1 889393587 WZRCJPNXTAHQDQ-GFCCVEGCSA-N 343.412 2.849 0 50 EFAA C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1ncc(C=O)cn1 1334438603 BUESYZUOSXEIQM-LBPRGKRZSA-N 332.354 2.673 0 50 EFAA c1cc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)n(C2CCCC2)n1 888078082 MZXHCKXJKHDLSO-KBXCAEBGSA-N 329.448 2.979 0 50 EFAA CCn1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)nn1 892316448 USZQROTXONSIDM-UHFFFAOYSA-N 337.431 2.895 0 50 EFAA COc1ccc2ccc(N3CCN(c4nccnc4C)CC3)nc2c1 893686120 WTMDLEZSBTUGJD-UHFFFAOYSA-N 335.411 2.668 0 50 EFAA Cc1cccc2sc(N3CC[C@H](c4cc(O)nc(O)n4)C3)nc12 894377370 MXIZCCZUYPVEJP-JTQLQIEISA-N 328.397 2.800 0 50 EFAA Cn1ccc2c(C(=O)N3CC[C@@](CO)(C(F)(F)F)C3)cccc21 899614225 CUDZLAANMUTDHA-OAHLLOKOSA-N 326.318 2.565 0 50 EFAA CN(Cc1nccs1)[C@H]1CC12CCN(c1ncc(F)cn1)CC2 275539603 FHLWHFWZISIIID-ZDUSSCGKSA-N 333.436 2.563 0 50 EFAA c1cc([C@H]2OCCC[C@@H]2NCc2ccc3c(c2)OCCO3)ccn1 275660097 UZSJICCGFXJTTI-QFBILLFUSA-N 326.396 2.863 0 50 EFAA Cc1nc2n(n1)CCN(C(=O)NC[C@@H](Cc1ccccc1)C(C)C)C2 276345792 KNTBUEHQDNFDDJ-QGZVFWFLSA-N 341.459 2.627 0 50 EFAA c1ccc(CN2CCC(Nc3cc(N4CCCC4)ncn3)CC2)nc1 277290729 BLARIMVYEURUJC-UHFFFAOYSA-N 338.459 2.548 0 50 EFAA C[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(N2CCCC2=O)c1 170090384 MREDBBMNKURODS-CHWSQXEVSA-N 340.431 2.547 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 189726759 ZNINRINUSHLIDB-OCCSQVGLSA-N 334.445 2.910 0 50 EFAA O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCOC[C@]12CCOC2 194382462 PVAIXTKURJYMCI-QGZVFWFLSA-N 348.786 2.627 0 50 EFAA CCc1ccccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 195557807 KMADVJFAYDUFBD-IBGZPJMESA-N 338.451 2.746 0 50 EFAA OC[C@@H](N[C@@H]1CCCn2ccnc21)c1ccccc1OC(F)(F)F 655764437 HWSSPWHBWNLRJR-CHWSQXEVSA-N 341.333 2.940 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCO[C@@](C)(C(F)F)C1 660750303 BQEUMJFDGXLEKQ-MGPLVRAMSA-N 346.349 2.961 0 50 EFAA COC(=O)c1cc(NC(=O)/C=C/c2ccccc2)cc(C(=O)OC)c1 433722 KEVVFCNMBZBSFO-CMDGGOBGSA-N 339.347 2.912 0 50 EFAA Cc1cc(C)n(CCCN(C)C(=O)c2cnn3cccc(C)c23)n1 1772700686 ICRKWXUAQBWOMI-UHFFFAOYSA-N 325.416 2.618 0 50 EFAA O=C(NCCc1cccnc1)c1coc(COc2ccccc2F)n1 12448167 SMUBIHDRLDVUAJ-UHFFFAOYSA-N 341.342 2.760 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccc(SC)cc3)C2)C1=O 12708298 VGHNRXGIIWLPOK-LJQANCHMSA-N 348.512 2.869 0 50 EFAA CCN(C)c1nc(N(C)C)nc2c1CCC21CCN(CC2CC2)CC1 1857686334 RJFGAIUUUNKGOM-UHFFFAOYSA-N 343.519 2.689 0 50 EFAA OCCOc1ccc(-c2nccn2[C@@H](CO)c2ccc(F)cc2)cc1 1857728784 CZTCZQLAETZXFB-SFHVURJKSA-N 342.370 2.642 0 50 EFAA C[C@H](Cc1cccs1)NC(=O)N1CCC(O)(C(F)(F)F)CC1 305782043 VDLIOASXXCXZJT-SNVBAGLBSA-N 336.379 2.778 0 50 EFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 225424710 OAZLBLXYHGZOBZ-VWNJHIHFSA-N 341.459 2.615 0 50 EFAA CCN1CC[C@@H](NC(=O)c2ccon2)[C@H]1c1cc(F)c(F)c(F)c1 253370966 YVHBDLWMYYXWNA-IUODEOHRSA-N 339.317 2.657 0 50 EFAA O=C(O)c1ccccc1C1CCN(C(=O)CC[C@@H]2CCOC2)CC1 372637170 HCHOLFNNYKCZCB-CQSZACIVSA-N 331.412 2.908 0 50 EFAA Cc1onc(-c2cccnc2)c1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 375727505 QJPLQNAYEURPJK-CQSZACIVSA-N 337.383 2.788 0 50 EFAA C[C@@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)C[C@@H](c2ccccc2)O1 263348583 OTFUYYOFZRPQAV-KDOFPFPSSA-N 339.391 2.916 0 50 EFAA COCc1nccc(NCc2ccnc(OCC(F)(F)F)c2)n1 929084603 FLWQSWRUJYHJAG-UHFFFAOYSA-N 328.294 2.571 0 50 EFAA CSC(C)(C)CNC1CCN(CCNC(=O)OC(C)(C)C)CC1 893073466 LPGXPXVSKLQVFL-UHFFFAOYSA-N 345.553 2.707 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4122329 NKSGMKQNZGEGQZ-UHFFFAOYSA-N 332.787 2.646 0 50 EFAA Cc1sc(CCN)nc1C(=O)NCC(C)(C)c1ccc(F)cc1 2325768325 DZSXEVSGFPJOSV-UHFFFAOYSA-N 335.448 2.799 0 50 EFAA Cc1ccc2nc(CNC(=O)c3ccc4c(c3)C[C@@H](N)CCC4)cn2c1 2325778542 DGTQLSISWHFTMH-SFHVURJKSA-N 348.450 2.779 0 50 EFAA CC[C@H](COc1ccccc1)NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110648359 AVXBVJRVLRKUNU-SOVHRIKKSA-N 330.428 2.663 0 50 EFAA C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCC[C@H]1C 245228071 AZRWZNKJLDSBFB-FZCLSBEQSA-N 328.456 2.976 0 50 EFAA O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccc(Cl)cc1Cl 83875 JPVOWHIERGKNJJ-SECBINFHSA-N 349.264 2.630 0 50 EFAA O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1 4745396 JJRAXOKJZQBTTH-UHFFFAOYSA-N 340.464 2.855 0 50 EFAA COc1ccccc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 6733098 PCTDSFPYMFMLCJ-UHFFFAOYSA-N 340.379 2.791 0 50 EFAA Cc1ncccc1CNC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 343482837 WMZYHVWHIZEARF-FXAWDEMLSA-N 339.487 2.829 0 50 EFAA CCN(CC)Cc1ccc(C(=O)OCCN2CCCCC2=O)cc1 225388380 RHDZHLWAOUIQSB-UHFFFAOYSA-N 332.444 2.698 0 50 EFAA COc1ccc(CCN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)cc1 225496286 KEOBAXUYRFEGLQ-QGZVFWFLSA-N 343.423 2.804 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225541858 MOWXVTHYVVVZOZ-NVXWUHKLSA-N 332.375 2.698 0 50 EFAA CCCc1nc(CN(CC)C(=O)[C@@H](C)n2cnc3ccccc32)no1 55073317 ZIEFQZSRXXHXNI-CYBMUJFWSA-N 341.415 2.982 0 50 EFAA O[C@@H](CN1CCN(c2nc3cc(F)ccc3o2)CC1)c1ccccc1 114449607 IPUNFLULJOFUKL-KRWDZBQOSA-N 341.386 2.823 0 50 EFAA Cn1c(=O)oc2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc21 115054988 OJXUTJUNCMFHIO-QGZVFWFLSA-N 338.363 2.774 0 50 EFAA C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCN1C 247392188 MBGBYOKQQJHKLJ-YZGWKJHDSA-N 343.515 2.840 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1cn2ccsc2n1 67909649 ZOJXXZAFXFJIAZ-ZDUSSCGKSA-N 344.440 2.631 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccn(Cc3ccccc3)n2)C1 347461511 GGKWQUGMCFNXHI-QGZVFWFLSA-N 349.438 2.685 0 50 EFAA C/C(=C\C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)C1CC1 249686870 JHIVUGYRMBWVFQ-UQCBTIDJSA-N 341.499 2.838 0 50 EFAA Cc1noc([C@@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)n1 65460359 PGIVFHNKLYMNQS-NSHDSACASA-N 349.460 2.908 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccn(Cc2ccccc2)c1 119878163 BGPONXMHOZPVCG-NRFANRHFSA-N 345.446 2.949 0 50 EFAA Cn1cnc(S(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 331727320 NYQLKWHOXYIDTQ-LLVKDONJSA-N 346.239 2.693 0 50 EFAA CCn1cc(S(=O)(=O)N[C@@H](C)c2cccc(C)c2)cc1C(=O)O 322259685 MTFDNYOXVHTAKW-LBPRGKRZSA-N 336.413 2.554 0 50 EFAA Cn1cccc1[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1c1ccco1 252676128 WBJNHBGEZPSDNB-CVEARBPZSA-N 349.456 2.837 0 50 EFAA CCCS(=O)(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12454845 HRWZBCUSCXBOLQ-UHFFFAOYSA-N 345.892 2.697 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)c3cc4ccccc4o3)CCO2)o1 328608687 AYIBCYLBAQFCMS-ZBEGNZNMSA-N 341.367 2.828 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc(C)c(F)cc2Cl)o1 328614629 WKJPFVKBWNSXSU-ZDUSSCGKSA-N 339.754 2.693 0 50 EFAA c1cc2c3c(c1)N(Cc1nnc(C4CC4)n1C1CC1)CCN3CCO2 253398751 WSVMADMDSJNJOB-UHFFFAOYSA-N 337.427 2.709 0 50 EFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2ccc(C)o2)CC1 328649282 UWJFVLKLZNJJTF-HNNXBMFYSA-N 346.431 2.796 0 50 EFAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(F)cc2O)CC1 124216377 DLCBLNXPJVQNRC-CYBMUJFWSA-N 343.402 2.882 0 50 EFAA C[C@@H]1C[C@@H](N[C@H]2CCCc3nc(O)ccc32)C(=O)N1c1ccccc1 253534472 NSPSEMFCPXMRTE-RPVQJOFSSA-N 337.423 2.948 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 363110017 GMMYURLKAIBJTI-DLBZAZTESA-N 329.444 2.734 0 50 EFAA COc1cccc(OC)c1CN[C@H]1CCCN(c2ccccn2)C1 367155225 BQKDSUXQUNIFDE-HNNXBMFYSA-N 327.428 2.857 0 50 EFAA CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1 282683278 OTFDJWIYMRHZTN-MRXNPFEDSA-N 328.456 2.844 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cnc3ccc(C)cn23)c1 282778414 QDLJBPCGMCZFRM-IEBWSBKVSA-N 337.423 2.959 0 50 EFAA Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cccn2)o1 72473926 XWPIAAIOEHJRHC-UHFFFAOYSA-N 330.413 2.604 0 50 EFAA COC(=O)[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)no1 14982244 JIJKZTIVSBVRED-MRXNPFEDSA-N 342.395 2.628 0 50 EFAA CCOCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77407457 VIDWLKPIIGVIGJ-OAQYLSRUSA-N 344.499 2.970 0 50 EFAA C[C@@H](C(=O)N1CCCc2cc(Cl)cc(Cl)c21)S(C)(=O)=O 157938691 MDHBPXVLPXIRSH-QMMMGPOBSA-N 336.240 2.706 0 50 EFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CC[C@H]1CCCO1 238140242 KJWKGISSSZTKAJ-CYBMUJFWSA-N 341.354 2.727 0 50 EFAA C[C@@H]1CN(C2CCOCC2)CCN1Cc1nc2ccc(F)cc2o1 376045972 YGDSJLIOIDUHHH-CYBMUJFWSA-N 333.407 2.652 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C2CCCC2)C1 72423118 ZYURDVMULDXNIH-MRXNPFEDSA-N 331.508 2.923 0 50 EFAA CN1CCN(Cc2nnc(C3CC3)n2C2CC2)[C@@H](c2ccccc2)C1 239761395 CJVAHPHSTVTSCN-GOSISDBHSA-N 337.471 2.979 0 50 EFAA CC(C)C[C@H](O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1 72165303 OAUSJPPHMLBBSZ-SFHVURJKSA-N 333.476 2.843 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccco2)no1 241126115 JJPYRYURSNETOE-XQQFMLRXSA-N 331.372 2.636 0 50 EFAA Cc1cc(NC(=O)C(C)(C)S(=O)(=O)C2CC2)c2ncccc2c1 241440016 NOKYSHQUAQCNLS-UHFFFAOYSA-N 332.425 2.838 0 50 EFAA Cn1nnc2c1C[C@H](C(=O)Nc1ccc(Nc3ccccc3)nc1)CC2 289925625 UPWDRVLUVGVNJG-CYBMUJFWSA-N 348.410 2.697 0 50 EFAA CSCC[C@@H](O)C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 220592532 GBOMIBMCKSBGHL-CYBMUJFWSA-N 336.457 2.856 0 50 EFAA COc1ccc(Nc2ccccc2C(=O)N(C)[C@@H]2CCNC2)cc1 179060046 NTZSQKQXKQOPFY-OAHLLOKOSA-N 325.412 2.873 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1 95378339 JHNDFFAAOIWQEJ-ZDUSSCGKSA-N 339.399 2.851 0 50 EFAA Cc1ccc2nc(SCC(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)[nH]c2c1 91769163 OKXXFHYLVQTUAT-XIKOKIGWSA-N 345.468 2.583 0 50 EFAA C[C@@H](Oc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)C(N)=O 426438517 BZJWIWACQNCQRW-CQSZACIVSA-N 338.407 2.842 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 426589964 LCFZEOZGQYRLIZ-HNNXBMFYSA-N 336.439 2.842 0 50 EFAA O=C(C(=O)N1CCC(c2nccn2CC2CCC2)CC1)c1ccco1 91586731 ZITINVLKHGYRKU-UHFFFAOYSA-N 341.411 2.865 0 50 EFAA CCCN1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95504032 YMDJABCRMGJWIC-SFHVURJKSA-N 344.503 2.632 0 50 EFAA O=C(CCc1ccncc1)NC[C@@H](c1cccnc1)N1CCCCC1 97681747 HJOKWMMGHFWWDB-IBGZPJMESA-N 338.455 2.753 0 50 EFAA c1cncc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)c1 97375306 HHALFXDGUBBDNI-UHFFFAOYSA-N 333.439 2.585 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1c(F)cccc1OC)C2 95501695 PEXCRGUSCMDEEA-GFCCVEGCSA-N 345.370 2.824 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)no1 244866380 VVCNARIYUVRFCQ-BQFCYCMXSA-N 342.439 2.985 0 50 EFAA Cc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)nc1 184213211 BCOXYQGQMRCMBZ-UHFFFAOYSA-N 325.416 2.571 0 50 EFAA Cc1ccc2nsnc2c1NC(=O)NC[C@@H](CO)Cc1ccco1 299772794 AQUWBAGKMUBFKX-NSHDSACASA-N 346.412 2.565 0 50 EFAA CCN(CCN(C)C)C(=O)c1cccc(-c2nc(C)cc(C)n2)c1 299784930 NEKOCIMTHIURAE-UHFFFAOYSA-N 326.444 2.784 0 50 EFAA Nc1nc(N2CCC[C@H](c3ccc(Cl)cc3)C2)cc2nncn12 825534492 SGWLLDJLRUXJLP-LBPRGKRZSA-N 328.807 2.744 0 50 EFAA O=C(O)[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccco1)C1CC1 670454813 DBAWOTIQEANYOQ-KRWDZBQOSA-N 342.395 2.897 0 50 EFAA COCc1nc(CN2CCCC2)n(-c2cc(Cl)ccc2OC)n1 670451409 LNRYLVOPCIEDQJ-UHFFFAOYSA-N 336.823 2.672 0 50 EFAA CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(O)c(F)c2)C1 874435260 PVGHRUNUXJVRGW-QGZVFWFLSA-N 349.431 2.534 0 50 EFAA CCc1cnccc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C)o2)C1 952851202 HMLGFSQMGHPDES-KSSFIOAISA-N 326.400 2.529 0 50 EFAA O=C(NCc1nc2ccccc2[nH]1)c1cc2c(s1)CCCNC2 1875292394 GVNYLNSYZULBJH-UHFFFAOYSA-N 326.425 2.590 0 50 EFAA O=C(O)CC1CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CC1 1875303806 NVZARYJZYLKENG-UHFFFAOYSA-N 345.321 2.564 0 50 EFAA COc1cnc2ncnc(N[C@H](C)CN3C[C@@H](C)C[C@H](C)C3)c2c1 1875325956 IESGQLQXDPKETM-MELADBBJSA-N 329.448 2.812 0 50 EFAA O=C(NC1CC(Nc2cc(F)ncn2)C1)[C@]12CCCC[C@H]1C2(F)F 1875406451 DSUNBWSAGSTGHJ-CFJSVIKSSA-N 340.349 2.500 0 50 EFAA Cc1cc(N)n(CC(=O)N(Cc2c(F)cccc2Cl)C2CC2)n1 952967534 KBDYGMORBPIDJN-UHFFFAOYSA-N 336.798 2.757 0 50 EFAA CC(C)CCO[C@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 886075342 JJHWXLOZYPXFJN-HNNXBMFYSA-N 335.448 2.581 0 50 EFAA O=S1(=O)CCN(Cc2nccc3c2CCCC3)CCC12CCC2 894922831 SCYIMWCKBAKHLP-UHFFFAOYSA-N 334.485 2.504 0 50 EFAA CN(C(=O)C(F)(F)c1ncccc1Br)c1ccccn1 1415233670 MUXYLKGKEMECSN-UHFFFAOYSA-N 342.143 2.994 0 50 EFAA COc1ccc(F)cc1[C@@H](C)NC(=O)NC1(c2nc(C)no2)CC1 892000208 AMLSNDFCFLKUMZ-SECBINFHSA-N 334.351 2.575 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nnc4n3CCC4)C2)nc(C2CCC2)n1 892398289 ZFAPZEYVJILJNL-OAHLLOKOSA-N 338.459 2.974 0 50 EFAA C[C@H]1OCC[C@H]1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 271108539 GUQUBZJUJWGAKD-QMTHXVAHSA-N 347.242 2.675 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)[nH]2)ncn1 1775985387 KAGVQGISMCJRMR-INIZCTEOSA-N 349.394 2.853 0 50 EFAA CCN1C(=O)CC[C@H](CN[C@H]2CC=C(C)CC2)[C@H]1c1cnn(C)c1 1775957906 RYPAYNWFAIKCES-AYBZRNKSSA-N 330.476 2.808 0 50 EFAA CCCCS(=O)(=O)Nc1ccc(C)c(N2CC[C@@H](N(C)C)C2)c1 408514790 XEAOTOKMAZJEBH-MRXNPFEDSA-N 339.505 2.677 0 50 EFAA CCC[C@]1(C)C(=O)NCCN1Cc1ccc(-c2ncco2)cc1F 411604499 GKCLDIWCTNEPPM-GOSISDBHSA-N 331.391 2.971 0 50 EFAA CCc1ccnc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c1 664807534 VZRAUOLWBZLRJH-RCCFBDPRSA-N 325.387 2.921 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2cccnc2)CC1 275655482 KTYGMFWEGHFZTE-SFHVURJKSA-N 339.443 2.995 0 50 EFAA CCCC(=O)N[C@@H]1CCCN(c2cc(Br)ccn2)C1 170598857 SQEYLOPYWGYPAW-GFCCVEGCSA-N 326.238 2.729 0 50 EFAA Cc1ccc(C[C@H](C)NC(=O)COc2cncc(Cl)n2)s1 170600704 GGIGBJRLSHDFMF-VIFPVBQESA-N 325.821 2.626 0 50 EFAA COc1ncnc2c1CN(C(=O)c1cc3c(s1)CC[C@H](C)C3)CC2 170656824 PQRYMQNTKNKJPI-NSHDSACASA-N 343.452 2.870 0 50 EFAA COc1cc(CN[C@H](Cc2ccccc2)C(=O)O)c2c(c1)C[C@H](C)O2 170612767 AELOCDZVSGURIU-SCLBCKFNSA-N 341.407 2.804 0 50 EFAA COCc1cc(CNC(=O)Cc2ccc3c(c2)OCO3)ccc1F 170970733 GJJFGFPCGIYWGT-UHFFFAOYSA-N 331.343 2.560 0 50 EFAA Cc1cc([C@H](C)NC(=O)[C@H]2COCCN2CC(F)F)c(C)s1 187231310 LLNNCULNYNUUBY-GXFFZTMASA-N 332.416 2.508 0 50 EFAA CC1(C)CNCC[C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 634760926 OKPKOLPQIXMHKI-KRWDZBQOSA-N 344.503 2.970 0 50 EFAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cccc(C)n2)c1 188281548 MVCBGTIPJCPWGI-RDJZCZTQSA-N 326.396 2.827 0 50 EFAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccc(=O)c2ccccc21 188715755 ZELLYDOYIAWXNM-KUHUBIRLSA-N 342.439 2.569 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Cc2ccoc2)C1 190526938 DBTSWJWZFUFTMF-HNNXBMFYSA-N 333.457 2.568 0 50 EFAA Cc1ccc(OCCCN2CCC[C@H](N(C)CC(=O)O)CC2)cc1C 192016182 ISAMNGKVIKYQSM-SFHVURJKSA-N 348.487 2.943 0 50 EFAA O=C(c1cccnc1O)N1CCC(O)(c2ccccc2Cl)CC1 192567595 FFYHNGGLGJYCNR-UHFFFAOYSA-N 332.787 2.564 0 50 EFAA c1ccc(-n2cncn2)c(CN2CCC[C@@H](N3CCCC3)CC2)c1 678272878 GXELTNOMHTUDAW-GOSISDBHSA-N 325.460 2.718 0 50 EFAA CC(C)Oc1cc(Br)cc(C(=O)N(C)C2(CO)CC2)c1 647700886 JFAVKMFBPDNIFH-UHFFFAOYSA-N 342.233 2.833 0 50 EFAA S=C(NCc1ccc(-n2cnc3ccccc32)nc1)NC1CCC1 1324161122 DICWJJCDFMYXOT-UHFFFAOYSA-N 337.452 2.937 0 50 EFAA CCn1c([C@H]2CCCN2C(=O)C2=COCCO2)nc2ccccc21 195410116 SOWHOSVLUHFAPO-OAHLLOKOSA-N 327.384 2.608 0 50 EFAA CCc1nccn1CCC(=O)Nc1nnc(SC(C)C)s1 1506406697 FTUKQBQALYIIHN-UHFFFAOYSA-N 325.463 2.826 0 50 EFAA COC(=O)c1sccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 375461 NJRVMKSHEFXPFK-HWKANZROSA-N 331.349 2.915 0 50 EFAA O=C(CCCc1cccs1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529110856 SKLICLRPIHZMIB-NVXWUHKLSA-N 330.453 2.840 0 50 EFAA O=C(O)[C@]12CN(Cc3ccccc3-c3ccccc3)C[C@@]1(C(=O)O)C2 1704324562 APSQHZZXHIEVOV-BGYRXZFFSA-N 337.375 2.715 0 50 EFAA COc1ccc(-c2onc(NCCN3CCCCC3)c2C(=O)O)cc1 1704302689 AHVIGJWRICVNDC-UHFFFAOYSA-N 345.399 2.946 0 50 EFAA O=C(c1cccnc1NCc1cccn2nccc12)N1C[C@H]2CC[C@@H]1C2 1772819812 UMCGBRLAYPZCMP-GOEBONIOSA-N 347.422 2.966 0 50 EFAA O=C(c1coc(COc2cccc3cccnc23)n1)N1CCCO1 11933673 YVMITOCBZUZRGR-UHFFFAOYSA-N 325.324 2.579 0 50 EFAA COc1cccc(CN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 12243766 NBSBPMGCUQLNLV-SFHVURJKSA-N 339.439 2.761 0 50 EFAA O=C1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2F)CCN1 12385592 QPKFBFBDNDSRLE-KRWDZBQOSA-N 340.398 2.696 0 50 EFAA COc1cccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)c1 12864451 NCYFDBMSAADWGJ-OAHLLOKOSA-N 336.391 2.637 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(C)[nH]n3)C2)c(OC)c1 19147763 AJTDKHZZUQBDSX-CQSZACIVSA-N 343.427 2.830 0 50 EFAA Cc1cccc2c1CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2 1857528281 PYHUDWOECVDTED-KGLIPLIRSA-N 339.439 2.949 0 50 EFAA CCCc1ccc(-c2nccn2-c2cnn(CCCC(=O)NC)c2)o1 1857684932 KNYYTJIXYGDETJ-UHFFFAOYSA-N 341.415 2.808 0 50 EFAA Cc1nc(N2CCC3(CC2)Nc2ccccc2NC3=O)c2[nH]ccc2n1 1857707617 WFIHKCRSVATXFB-UHFFFAOYSA-N 348.410 2.670 0 50 EFAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(Cc2cnsc2)C1 1857731723 YQYGPBLIXIZBBW-GOSISDBHSA-N 342.468 2.996 0 50 EFAA CC1(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)CC1 1857734312 OXWUMNBRCHAJTK-ROUUACIJSA-N 328.456 2.851 0 50 EFAA C[C@@H](C(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1)S(C)(=O)=O 123197902 FXOHQBQJKYTCGW-BDAKNGLRSA-N 329.805 2.697 0 50 EFAA Cc1ccc(C)c(CN(C)C(=O)Cc2ccccc2S(C)(=O)=O)c1 341595280 DDLKNFLMPHLYJD-UHFFFAOYSA-N 345.464 2.908 0 50 EFAA Cc1cccn2cc(CNC(=O)c3csc([C@@H]4CCCO4)n3)nc12 132524796 KMKJPTBPSURWJP-AWEZNQCLSA-N 342.424 2.881 0 50 EFAA CCN(CC)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)cc1 247913882 FKEJAUYOSSZUJG-APWZRJJASA-N 343.471 2.616 0 50 EFAA CC(=O)Nc1cccc(OCCNC(=O)c2ccc(F)c(C)c2)c1 354940601 GXMDOGWOOBSYHI-UHFFFAOYSA-N 330.359 2.901 0 50 EFAA C[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1noc(-c2ccc(Cl)cc2)n1 154439008 JMINJCVINCQWHK-SECBINFHSA-N 344.758 2.569 0 50 EFAA O=S1(=O)CC[C@H](c2noc(-c3ccc(F)c(C(F)F)c3)n2)C1 903981344 IGUQRIFCEMWAEW-QMMMGPOBSA-N 332.303 2.715 0 50 EFAA C[C@@H](C(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1cnn(C)c1 834531618 CYAJSWYWXJDINT-GFCCVEGCSA-N 344.484 2.875 0 50 EFAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(O)nc2c1CCCC2 935793403 CWUKTBVGJVPXRT-KRWDZBQOSA-N 340.427 2.767 0 50 EFAA CC(C)n1cc2cc(NC(=O)c3cn(-c4cccnc4)nn3)ccc2n1 1126461151 VMLARHDDHSBSDQ-UHFFFAOYSA-N 347.382 2.845 0 50 EFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)o1 379622502 WMWYREKJSGPOMR-HNNXBMFYSA-N 342.395 2.762 0 50 EFAA Cc1cc(Br)c(C(=O)O)cc1NC(=O)C[C@@H]1CCCO1 380018635 SXBDMXDLICQAIG-VIFPVBQESA-N 342.189 2.963 0 50 EFAA O=C(O)[C@@]1(O)CCCN(Cc2ccc(Br)cc2Cl)C1 888097657 WRMZPPAHCVEKTM-CYBMUJFWSA-N 348.624 2.514 0 50 EFAA Cc1ccn2c(CN3CCN(Cc4ccc(O)cc4)CC3)cnc2c1 2325760851 HWDUFQXQKGGQKR-UHFFFAOYSA-N 336.439 2.666 0 50 EFAA 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O=C(c1cccnc1)N1CCN(C(=O)c2cccc3ccccc23)CC1 2765289 OMSFJWXNMZDIAL-UHFFFAOYSA-N 345.402 2.833 0 50 EFAA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(C)c1 2827311 LGADNFFCKIDUHP-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA CN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1 2861171 VNNORQOEJZTVAY-UHFFFAOYSA-N 331.232 2.514 0 50 EFAA CC1=C/C(=C2/C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1C(C)C 2891911 ZNWPRAYOWJVCQE-UHFFFAOYSA-N 329.278 2.563 0 50 EFAA CCCCOc1ccccc1C(=O)N1CCC[C@]12CCCNC2=O 2356144455 YXFWWOVQEVLESX-IBGZPJMESA-N 330.428 2.750 0 50 EFAA CC(C)CC[C@@]1(C(=O)O)CN(C2Cc3ccccc3C2)CC[C@@H]1O 2356158065 BWAHUKJAUMOJGA-AZUAARDMSA-N 331.456 2.728 0 50 EFAA CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356159096 LOXFEJCIDQTWNG-OTWHNJEPSA-N 336.435 2.755 0 50 EFAA Cc1ccc(CN(C(=O)c2ccccc2C)[C@H]2CCS(=O)(=O)C2)o1 4858345 WDFHVVVIGRWEFK-HNNXBMFYSA-N 347.436 2.726 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 4865978 QEFZUMSOYFIKHE-UHFFFAOYSA-N 347.802 2.854 0 50 EFAA CC(C)(C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 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337.364 2.760 0 50 EFAA O=C(NCCN1CCCOC1=O)c1ccc2[nH]c3c(c2c1)CCCC3 218919678 YIBTVRHHHIRQCG-UHFFFAOYSA-N 341.411 2.619 0 50 EFAA Fc1ccc(F)c(C2(n3ccnc3-c3cc4n(n3)CCNC4)CC2)c1 72458140 HOJCRYIOOCBJHP-UHFFFAOYSA-N 341.365 2.665 0 50 EFAA COc1cc(OC)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c(OC)c1 67674100 LZKGQENQYWBAGJ-UHFFFAOYSA-N 328.324 2.954 0 50 EFAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc(Cl)cc(Cl)c1 54253706 UQVQRCRSWSMIIV-GFCCVEGCSA-N 331.199 2.569 0 50 EFAA COC(=O)[C@@H](c1ccccc1)N1CCC(O)(c2ccc(C)cn2)CC1 67675027 TWDMWXQRZXXBJU-GOSISDBHSA-N 340.423 2.588 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(c2cc(NCC3CC3)ncn2)C1 281678287 MCPQTWXHRXEYPU-JKSUJKDBSA-N 328.391 2.750 0 50 EFAA COc1ccc(C2=Nn3c(nc4ccsc4c3=O)SC2)cc1 4784002 CZNSHLXJERIYFX-UHFFFAOYSA-N 329.406 2.825 0 50 EFAA COc1ccc([C@H](NC(=O)CCc2ccsc2)[C@H]2C[C@@H](O)C2)cn1 219104504 BOYBINHNLTYFFI-MPGHIAIKSA-N 346.452 2.713 0 50 EFAA O=C(c1ncccc1C(F)(F)F)N1CCC(Cc2ncc[nH]2)CC1 330600888 DCLCUNRQTGDZNM-UHFFFAOYSA-N 338.333 2.918 0 50 EFAA CNC(=O)[C@H]1CCCN1C(=O)Nc1cc(-c2nc(C)co2)ccc1C 120873889 TZCFKRSBDDPXOD-OAHLLOKOSA-N 342.399 2.701 0 50 EFAA CCOc1ccccc1N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 121288717 NQHDCOJELUFTSR-UHFFFAOYSA-N 333.409 2.765 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 364960416 FBQAKSBOZBHIRX-SFHVURJKSA-N 337.427 2.541 0 50 EFAA CCCCNCc1ccc(OC)c(OC[C@H](O)CN(CC)CC)c1 12711507 MFSCFIADCQBTFI-QGZVFWFLSA-N 338.492 2.666 0 50 EFAA CC(C)Cc1nnc2sc(CCc3nc(-c4ccco4)no3)nn12 71746800 XWNWKSDMFMZYSY-UHFFFAOYSA-N 344.400 2.813 0 50 EFAA O=C(CN1CCN(c2ccc(F)cc2Cl)CC1)N1CCCCC1 153480387 FODLVPONHMTQOG-UHFFFAOYSA-N 339.842 2.614 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2CCCO)C1 328597091 DIUDUOXIDSNMAA-HOTGVXAUSA-N 326.481 2.870 0 50 EFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](OCc2ccccn2)C1 77300128 BNPPZATXRWLXHJ-OAHLLOKOSA-N 326.400 2.504 0 50 EFAA CC[C@@H]1CN(Cc2cccnc2N)CCC(=O)N1Cc1ccccc1 71759574 TYESPCHJICXZQG-GOSISDBHSA-N 338.455 2.677 0 50 EFAA O=C1CCCCN1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 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CNc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4)C3=O)n2)n1 1875286322 QGOSBUIFEMZDFO-CQSZACIVSA-N 349.394 2.689 0 50 EFAA C[C@@]1(c2ccc(Nc3nccc(=N[C@H]4CCNC4)[nH]3)cc2)CC1(F)F 1875329414 UXIQPYCMTWZPHN-YOEHRIQHSA-N 345.397 2.713 0 50 EFAA O=C(O[C@H]1C[C@@H](c2ccc(F)cc2)C1)c1cc2c(nn1)CCOC2 1875311976 DTYLCSVXZRADLP-JNSHFYNHSA-N 328.343 2.791 0 50 EFAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)/C=C/CN(C)C)cc2F)n1 1875374544 VWTJTLWQPXWIDP-LQYUOIDQSA-N 344.434 2.923 0 50 EFAA CC(C)C[C@H](C(=O)N1CCC(CO)(C(F)(F)F)CC1)n1ccnc1 885008138 SQAQRHJARXDQFI-CYBMUJFWSA-N 347.381 2.634 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc(C(C)C)on2)C1 886091133 VRRIUASIHDNOQB-DZGCQCFKSA-N 345.399 2.502 0 50 EFAA Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCC2=CCCCC2)cnn1C 886096657 NLQCCKISXUBWRV-YOEHRIQHSA-N 331.416 2.593 0 50 EFAA O=C(c1cccc(-n2ccnc2O)c1)N1CC[C@@H](C(F)(F)F)C1 888024678 GZUHBZAXUYWGOG-LLVKDONJSA-N 325.290 2.602 0 50 EFAA CCN(C)c1cc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 1168891169 AAMLPHWXYVXIOU-MRXNPFEDSA-N 339.443 2.649 0 50 EFAA COC(=O)c1ccc(Cn2ccn3nc(C(C)(C)C)cc3c2=O)cc1 1775989735 AGAYSUYSANRQES-UHFFFAOYSA-N 339.395 2.628 0 50 EFAA Cn1c(C(=O)O)ccc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 1775993695 HRPJFZVGKAMJNY-CVEARBPZSA-N 346.358 2.513 0 50 EFAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccc(CCC(C)(C)O)c1 1565530059 XICUSYBQTBFONZ-MLHJIOFPSA-N 331.456 2.933 0 50 EFAA CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1C 1363402663 XEOJOUMRBGJHQH-CQSZACIVSA-N 342.399 2.576 0 50 EFAA Cc1nc(CS(=O)(=O)N(C)CCc2cccc3ccccc23)no1 1474901469 NNRLQUATZXWHIJ-UHFFFAOYSA-N 345.424 2.536 0 50 EFAA CNc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 412379676 GUUOWSXTJAOPKL-APWZRJJASA-N 328.387 2.669 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CCO1 272076441 MCNQHJUCUYGSJC-NEWSRXKRSA-N 330.472 2.925 0 50 EFAA COc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)c2ccccc2n1 669016048 HBVQNXQZKQLFAY-KRWDZBQOSA-N 327.428 2.656 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2csc3c2CC[C@@H](C)C3)n1 275391672 PMLYPOBGKFYTEV-GLXFQSAKSA-N 347.440 2.512 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NCc2cc3ccccc3nc2O)CCO1 275500604 JOYRWUFVBPBEJU-MAUKXSAKSA-N 338.411 2.684 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cn2ccsc2n1 169975283 HEGLVCJFJPUICI-KBPBESRZSA-N 327.409 2.824 0 50 EFAA CC(C)CC(=O)Nc1ccc(NS(=O)(=O)N2CCC[C@@H]2C)cc1 170597925 WQKLZHJQNLYSNH-ZDUSSCGKSA-N 339.461 2.812 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@H]2CCCN2Cc2ccc(F)cc2)n1 188035958 CLAHCFIKTUNFES-OAHLLOKOSA-N 346.406 2.917 0 50 EFAA Cc1ccccc1-c1noc(CN[C@]2(CO)CCc3ccccc32)n1 677986676 SCAXIBRQHXXNCK-FQEVSTJZSA-N 335.407 2.969 0 50 EFAA Cc1cc(C)n(-c2cccc(NC(=O)c3cnn4ccncc34)c2)n1 188617960 ZLNGCXJNOHQUHU-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CCN1CCCN(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)CC1=O 682729878 FXHUDUQWPFRJHA-GFCCVEGCSA-N 347.390 2.897 0 50 EFAA Cc1nc(O)c2c(n1)CN(c1ncnc3sc4c(c13)CCC4)C2 641687068 INHQGLUGUKAKMW-UHFFFAOYSA-N 325.397 2.504 0 50 EFAA Cc1nc(Cc2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)no1 193161482 RXDJINMEVUZMHE-CJNGLKHVSA-N 326.356 2.987 0 50 EFAA CC(C)(C(=O)O)C(=O)N1CCc2c(F)cc(Br)cc2C1 649453440 GVZDIYWIASHUSA-UHFFFAOYSA-N 344.180 2.584 0 50 EFAA CC(C)Oc1ccc(NC(=O)c2ncccc2Br)nn1 193747448 GYCYGPGZJFXDNX-UHFFFAOYSA-N 337.177 2.674 0 50 EFAA Cc1cccc2c1O[C@H](C(=O)N1C[C@H](C)C(=O)Nc3ccccc31)C2 659364306 KAORSKXHTWHANE-GUYCJALGSA-N 336.391 2.920 0 50 EFAA O=C(c1cncc(O)c1)N1CCC2(CC1)OCCc1sccc12 1704344363 LZOFWXDLYBXEOO-UHFFFAOYSA-N 330.409 2.553 0 50 EFAA CC(C)N1C[C@@H](CN2CCN(c3ccccc3F)CC2)CCC1=O 1772804527 AGZDIFXHAZIOKS-MRXNPFEDSA-N 333.451 2.595 0 50 EFAA COc1ccccc1C(=O)Nc1ccccc1N1CCN(C)CC1 5050791 DOSNVVGXQMWNKY-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA O=C(NCCc1ccccc1F)[C@H]1CCC(=O)N(C2CCCC2)C1 12714931 OHDWMVGOFKHCDB-HNNXBMFYSA-N 332.419 2.666 0 50 EFAA CCOc1ccc([C@@H](C)N(C)C(=O)c2nnc3n2CCCC3)cc1 19790716 FJHSQHNOSPWGGB-CYBMUJFWSA-N 328.416 2.846 0 50 EFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3ncc4c(n3)CCCC4)CC2)O1 1857700199 CLDALRZESFMZDK-SJLPKXTDSA-N 345.487 2.890 0 50 EFAA CN1Cc2cc(-c3ccc(C(=O)N4CCCCC4)cn3)ccc2C1=O 1875251128 NIPWPEVDOMRKRQ-UHFFFAOYSA-N 335.407 2.960 0 50 EFAA CCOC(=O)c1cc(C)sc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100903029 OYDZKIGZTJETQI-XRRVDJEJSA-N 331.393 2.545 0 50 EFAA Cc1nc(-c2ccc(N(C)CC[C@@H](N)C(C)C)nc2)nc(O)c1C 420200938 GXSNJSYUQPQRHG-OAHLLOKOSA-N 329.448 2.671 0 50 EFAA COC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(F)cc1 240465873 GBBAMUZAHXUVBQ-IBGZPJMESA-N 344.430 2.631 0 50 EFAA CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@](C)(O)CC2)c(C)n1 655041110 ZWJLEHHVIFRNNU-DJJJIMSYSA-N 333.476 2.913 0 50 EFAA Cn1nccc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 241316784 LUWOZZGAHDBNHZ-LBPRGKRZSA-N 340.349 2.687 0 50 EFAA CSC[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1O 252497578 QKKFIQYSLMMAMZ-CYBMUJFWSA-N 335.404 2.685 0 50 EFAA CSc1ccccc1S(=O)(=O)N1CCC[C@H]2CNCCC[C@@H]21 375990313 XLXKWOBZDJPAJW-KBPBESRZSA-N 340.514 2.561 0 50 EFAA COc1cc(F)c(NC(=O)N2CCCN(C(C)C)CC2)cc1OC 264454628 PYXLJANESDPDKS-UHFFFAOYSA-N 339.411 2.791 0 50 EFAA CC(C)CN(Cc1ccccc1F)C(=O)[C@]1(C)CCCS1(=O)=O 902079120 RJBVLYTVTQIQFM-KRWDZBQOSA-N 341.448 2.778 0 50 EFAA Cc1cccc2oc(C(=O)N[C@@H](c3nccn3C)C(C)(C)CO)cc12 824475207 MCGIBRAHAJUJRZ-INIZCTEOSA-N 341.411 2.964 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1ncccn1)CC2 929856960 MKBAFFIVZKHQBB-CYBMUJFWSA-N 343.427 2.664 0 50 EFAA COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@H]43)nn2C)cc1OC 933243017 GMZPWNYYGVQNHU-DZGCQCFKSA-N 341.411 2.729 0 50 EFAA COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 94972 YAPCOGFGCGKJRD-LLVKDONJSA-N 327.336 2.907 0 50 EFAA O=C(O)C[C@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 3856198 CKYPDKIHEDSKEA-ZDUSSCGKSA-N 331.299 2.500 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2)cc1 450563 QLVNDWXKLWNAJS-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA O=C(C[C@@H]1Cc2ccccc2CN1)NCc1noc2ccc(F)cc12 2325774590 ACGXCHBGBFDDRJ-HNNXBMFYSA-N 339.370 2.688 0 50 EFAA Cc1sc(CCN)nc1C(=O)NCc1cnccc1C(C)(C)C 2325796057 PXUMABRMCGLQCY-UHFFFAOYSA-N 332.473 2.575 0 50 EFAA C[C@H](CN(C)c1ncnc(N)c1Br)c1nccs1 2325802353 BQRRPVMQBZRIAU-SSDOTTSWSA-N 328.239 2.518 0 50 EFAA C[C@H]1CCn2nccc2N1C(=O)CCc1nc(C2CCCC2)no1 2325805780 XBKUUJUMEMUQNU-LBPRGKRZSA-N 329.404 2.682 0 50 EFAA O=C(C[C@@H]1Cc2ccccc2CN1)NCc1nccn1-c1ccccc1 2325858820 BXFAMXTXTVGEQM-SFHVURJKSA-N 346.434 2.593 0 50 EFAA CC[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cccs1 129939744 ZWZQJYMNSUTOHR-CQSZACIVSA-N 331.441 2.861 0 50 EFAA CCN(CC)C(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 582572 FYMJYWRRUSQSBY-LBPRGKRZSA-N 332.425 2.605 0 50 EFAA O=C(Cc1cc(F)cc(Cl)c1)N1CCc2nc(C3CC3)nn2CC1 2356164430 SKKGINQBDQRQSV-UHFFFAOYSA-N 348.809 2.575 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3cc(Cl)no3)C[C@H]2C1 2356166869 CMCZTNYQMOJBMM-KPWCQOOUSA-N 339.867 2.838 0 50 EFAA C[C@@H]1CCSCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 225667660 KVLPUSPDNMGIKQ-LLVKDONJSA-N 348.451 2.664 0 50 EFAA Cc1ccc(-c2cc(CNC(=O)c3nnc4n3CCCC4)no2)cc1 67695182 WEJQYCHLNDQGOI-UHFFFAOYSA-N 337.383 2.508 0 50 EFAA CCC[C@H](NC(C)=O)C(=O)Nc1ccc(OC)cc1NC(=O)C(C)C 55393240 ZGZUQKTXZUVXDN-HNNXBMFYSA-N 349.431 2.533 0 50 EFAA C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(O)c1 249553783 LNAXJWRIFIFMJN-QKYXUNIQSA-N 326.440 2.678 0 50 EFAA COc1ccccc1N1CCN([C@@H]2CCCN(CC3CC3)C2)CC1 20363019 BRFWOXRYACLPMO-GOSISDBHSA-N 329.488 2.692 0 50 EFAA CC[C@@H](COc1ccccc1)NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110648361 AVXBVJRVLRKUNU-PFPDTZPXSA-N 330.428 2.663 0 50 EFAA c1c(C2CC2)nnn1CC1CCN(C2CSCCSC2)CC1 23581381 AFXQHZNCMPAWNN-UHFFFAOYSA-N 338.546 2.716 0 50 EFAA Cc1ccc(-n2nc(CC(C)C)nc2C[C@H]2CCS(=O)(=O)C2)cc1 65382797 PGGFHZHLANGGIH-OAHLLOKOSA-N 347.484 2.751 0 50 EFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CNC12CC3CC(CC(C3)C1)C2 12580309 AKMZFESFFUTWOG-YFFNCEPWSA-N 346.515 2.698 0 50 EFAA Cc1c(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cnn1-c1ccncc1 252486555 LKZMLBXYHFVFCM-DJIMGWMZSA-N 341.411 2.936 0 50 EFAA CCOc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1OCC 119824410 HQJHUITWVAJFEL-QGZVFWFLSA-N 344.459 2.988 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1)c1cncnc1 67886587 ODXDDZIHAHOFBG-HNNXBMFYSA-N 349.438 2.600 0 50 EFAA O=C(NCCc1cscn1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12301357 LKAZKLRMYFNREH-OAHLLOKOSA-N 349.500 2.621 0 50 EFAA Cc1cccc(NC(=O)c2ccccc2NC(=O)CCn2ccnn2)c1 253393015 MZUKCJNAKMCGNH-UHFFFAOYSA-N 349.394 2.868 0 50 EFAA Cn1ncc(C(=O)N[C@H](CO)c2ccsc2)c1Cc1ccccc1 356291709 OURSNHBMPMKEKT-MRXNPFEDSA-N 341.436 2.536 0 50 EFAA O=C1O[C@@H](CN2CCC(O)(c3ccccc3Cl)CC2)CC12CC2 365454055 ASRJTUPWOBSZFC-CYBMUJFWSA-N 335.831 2.719 0 50 EFAA COCC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 253426999 KILOMEBVNPIWOE-CQSZACIVSA-N 346.431 2.515 0 50 EFAA Cc1ccc(-c2nnn[nH]2)cc1-n1ccnc1-c1ccnc(C(C)C)n1 72423010 JMGRPVSDGPFORC-UHFFFAOYSA-N 346.398 2.941 0 50 EFAA O=C(c1ccc(Br)o1)N1CCC[C@@H]2CNCCC[C@H]21 366446713 KFCBDECLDFPYBJ-GHMZBOCLSA-N 327.222 2.646 0 50 EFAA Cc1cc(S(=O)(=O)N(Cc2cccnc2)C(C)C)ccc1C(=O)O 326515133 KYVBWLVBVQHEKV-UHFFFAOYSA-N 348.424 2.688 0 50 EFAA CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cnn2c1OCCC2 368338814 GKKRXEPMDMPLOF-UHFFFAOYSA-N 337.326 2.539 0 50 EFAA O=C(NCCc1cccs1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 156578085 OWKNKOUXDBOXPI-OAHLLOKOSA-N 349.500 2.771 0 50 EFAA N[C@H]1C[C@H](c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1 219269170 PKTUIVLOFQKCLP-CALCHBBNSA-N 338.455 2.867 0 50 EFAA CC(C)Oc1cccc(/C=C\C(=O)N(CC(=O)O)C2CCOCC2)c1 492118415 LXSWATLGSQKFTM-SREVYHEPSA-N 347.411 2.579 0 50 EFAA Nc1nc(CN2CCO[C@@H](c3ccsc3)C2)nc2ccccc12 126205501 WGWFVKCEZGHFGL-OAHLLOKOSA-N 326.425 2.847 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)O1 72150739 YCFJPTGBEIMZEY-SFHVURJKSA-N 342.351 2.787 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@@H]3CCCCCN3C)CC2)cc1 77288145 IPEIYMVBIBMERG-IBGZPJMESA-N 346.471 2.939 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1365653572 WYBWZUGRRYSYGV-YOKBYHGQSA-N 349.862 2.785 0 50 EFAA CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O 44893523 SUPYZQXWMIGOKJ-UHFFFAOYSA-N 333.391 2.569 0 50 EFAA CCn1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c2ccccc21 337145867 HZUMDNYSVXPZEI-BHIYHBOVSA-N 342.439 2.663 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCC([C@H](O)Cc2ccccc2)CC1 82114557 ODXKSXGWJCWVMT-MRXNPFEDSA-N 349.381 2.734 0 50 EFAA CCCCN(C)CCNC(=O)N1CC2(CCOCC2)c2ccccc21 241466110 NUXFRZDSWULISV-UHFFFAOYSA-N 345.487 2.996 0 50 EFAA O=C(c1ccccc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1 178574661 SYAGRITUQPPRRH-UHFFFAOYSA-N 340.427 2.685 0 50 EFAA CCn1nccc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 131680561 MMXYVDVHDAPHHL-KRWDZBQOSA-N 339.395 2.872 0 50 EFAA Oc1nc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc2ccccc12 339781514 TZRANNUNEJZIEH-XJKSGUPXSA-N 325.343 2.787 0 50 EFAA O=C(NCc1ccsc1)N1CCN(CCc2ccccc2)CC1 46028331 KRUBUJAOMGRKHU-UHFFFAOYSA-N 329.469 2.818 0 50 EFAA O=C(O)c1c(Br)cccc1I 88190261 PTQGEYMPMWQTDM-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA CC(=O)c1sccc1-c1ccc(C(=O)N2CCNC(=O)[C@@H]2C)cc1 426489636 LKVRWAWFQWVZDH-NSHDSACASA-N 342.420 2.578 0 50 EFAA Cn1ccnc1[C@H](NC(=O)c1cc(O)nc2cc(F)ccc12)C1CC1 426656919 IIXKBEQNQAPSDJ-MRXNPFEDSA-N 340.358 2.694 0 50 EFAA Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3cccnc3)nc2s1 44900478 ZKKOEEFOWXLSHG-UHFFFAOYSA-N 346.437 2.560 0 50 EFAA CSc1ncc(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)cn1 82106499 ZGGBHZPNXFZNMK-CQSZACIVSA-N 342.468 2.858 0 50 EFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](CN)C1 178545282 URSYTJJIWJVNSD-CHWSQXEVSA-N 339.277 2.825 0 50 EFAA CC1(C)CN(C(=O)Cn2cc(Br)cn2)[C@@H]1c1cccnc1 292494032 RNCSSFSKYQFLOX-CQSZACIVSA-N 349.232 2.650 0 50 EFAA Cc1ncc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c(=O)[nH]1 91595563 CBUKZFXZVRXBLO-UHFFFAOYSA-N 335.766 2.676 0 50 EFAA Cc1nnc(-c2ccccc2-c2ccc(CNS(C)(=O)=O)cc2)o1 96132361 CSFXRSVPHUDIBP-UHFFFAOYSA-N 343.408 2.761 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)s1 239121158 JKOUQLIZMZQCSU-RBJBARPLSA-N 349.408 2.559 0 50 EFAA CN(CCCn1cccn1)[C@H]1CCCN(CCc2ccccc2)C1 22918912 CXOQZDLVSMJRCC-FQEVSTJZSA-N 326.488 2.912 0 50 EFAA COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C 91691625 KSWAWCLGGIVDBA-JKSUJKDBSA-N 348.443 2.575 0 50 EFAA COc1cccc(CNC(=O)[C@@H](C)n2ccnc2C(C)C)c1OC 91665292 LYUDOJBYVSIVHK-CYBMUJFWSA-N 331.416 2.901 0 50 EFAA CCN(CCN1CC2(CCNCC2)CCC1=O)c1cccc(C)c1 91746415 FHIXXXSRTVIMAC-UHFFFAOYSA-N 329.488 2.814 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@H]1COc2c(cccc2OC)C1 91551388 LLPMLMCLDHLQGU-CYBMUJFWSA-N 346.452 2.890 0 50 EFAA Cc1cc(N2CCC(c3nccn3CC3CCC3)CC2)nc(N)n1 91848773 XBMPTSPSFDAWSJ-UHFFFAOYSA-N 326.448 2.748 0 50 EFAA CNc1ccccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 293765078 QJMTULNYNFBLAC-UHFFFAOYSA-N 343.471 2.983 0 50 EFAA COCc1noc(CCNC(=O)Nc2ccc3oc(C)cc3c2)n1 96137145 DSQCQINXEVYDOZ-UHFFFAOYSA-N 330.344 2.635 0 50 EFAA CCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91255323 NNOYGKGBFUZYFU-UHFFFAOYSA-N 336.382 2.716 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)NC[C@H]1COc2ccccc2O1 91645253 LTYIYAIHDXRXFJ-INIZCTEOSA-N 349.390 2.506 0 50 EFAA CC(C)c1nc(CN(C)[C@H](C)C(=O)Nc2nncs2)cs1 244873214 WMAFTLBGMJQROU-SECBINFHSA-N 325.463 2.577 0 50 EFAA O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCN1 182838898 JOUXDPQRTGWBQI-CQSZACIVSA-N 335.860 2.874 0 50 EFAA Clc1cccc(-c2noc(CCN3CCc4[nH]ncc4C3)n2)c1 299633089 KBXJWEMFEBJSTF-UHFFFAOYSA-N 329.791 2.714 0 50 EFAA Cc1cccc(C[C@H](CNC(=O)CC[C@H]2CC[C@H](C)O2)C(=O)O)c1 299753321 XUDLIMLIANKAOK-USXIJHARSA-N 333.428 2.702 0 50 EFAA CCCC[C@@H]1C=CCN1C(=O)NCc1cccc(-c2nn[nH]n2)c1 534636367 KHPZMAMJRYUAQK-OAHLLOKOSA-N 326.404 2.507 0 50 EFAA CCC[C@H](CC)NC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 534591714 AXELRJDZIOHYJY-HNNXBMFYSA-N 335.423 2.758 0 50 EFAA Cc1c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)ccn1C 534584144 ONWHAYNQEZQCCT-UHFFFAOYSA-N 330.403 2.951 0 50 EFAA CC(C)Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)on1 299758619 JYCUGWOINRTRCG-HNNXBMFYSA-N 328.368 2.525 0 50 EFAA Cn1ccnc1CN1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 42460189 IOHSXMHZIFULGJ-SFHVURJKSA-N 335.398 2.516 0 50 EFAA CC[C@@H](NC(=O)Nc1cccc(OCCOC)c1)c1cnn(C)c1 299781231 DHCGTHLQQIHXSN-MRXNPFEDSA-N 332.404 2.718 0 50 EFAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 828163249 JYJSZXINFRHESD-SECBINFHSA-N 327.310 2.764 0 50 EFAA CC(C)c1nccn1CCCNC(=O)Cc1nc2ccccc2o1 827856046 HJWJMRHCXOZANW-UHFFFAOYSA-N 326.400 2.897 0 50 EFAA CCNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 823123338 HAUNPWNPPXDWPW-SECBINFHSA-N 330.215 2.983 0 50 EFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCc2cnn(C)c2)c1 828065407 MYFGLMFRGFFGDY-ZDUSSCGKSA-N 326.400 2.507 0 50 EFAA CC[C@H](NC(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(C)n1 584885035 KSMFMPVKKQUFTH-INIZCTEOSA-N 344.459 2.638 0 50 EFAA COc1ccccc1OCCCN(C)C(=O)CN1CCCCCC1 952978351 YXOCKZLRSZUBLL-UHFFFAOYSA-N 334.460 2.799 0 50 EFAA C=CC(=O)N[C@@H]1CCCN(C(=O)c2cc(F)ccc2OC(C)C)C1 1875389500 QQMNAAWTQUSIMV-CQSZACIVSA-N 334.391 2.520 0 50 EFAA Cc1cc(CC(=O)NC[C@@H](CCO)c2ccncc2)ccc1Cl 1875329472 XLLZSDSIFODNLH-MRXNPFEDSA-N 332.831 2.868 0 50 EFAA CCN1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H](N(CC)CC)C2)C1 1875358177 MHUYUYHNFSJKPE-HKUYNNGSSA-N 344.503 2.689 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)C2(N3CCCC3)CCCCC2)C1 952860183 HJHBYTXYINOHKI-QGZVFWFLSA-N 333.520 2.870 0 50 EFAA COc1cccc2c1OCC(CNCCCn1nc(C)cc1C)=C2 952872047 IOAXYFMPLPLSKV-UHFFFAOYSA-N 327.428 2.964 0 50 EFAA Cc1cc(COCC(=O)Nc2nc3cc(Cl)ccc3n2C)no1 1336954739 SPNJNCWCWWWBQG-UHFFFAOYSA-N 334.763 2.678 0 50 EFAA Cc1csc([C@H]2CN(Cc3cccc4nc(O)oc34)CCO2)n1 891885047 RACBHRAJXYSQOT-CYBMUJFWSA-N 331.397 2.872 0 50 EFAA Cc1cnc(O)c(CNC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 1775987106 BDQYFSVQFWWBJS-MQMHXKEQSA-N 329.375 2.980 0 50 EFAA Cn1cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)nc1O 1361442485 XFEVBFIEVGWSIQ-HNNXBMFYSA-N 335.354 2.828 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)nc1C 412384886 QAZQXUVZGRVVCT-QFBILLFUSA-N 328.387 2.639 0 50 EFAA C[C@@H](O)[C@@H]1CCN(C(=O)Nc2ccc(Br)c(F)c2)C1 273310705 XRQVIJNLOQRLOE-RKDXNWHRSA-N 331.185 2.823 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccccc1N1CCOCC1 277171350 FXGUDJARTJJIIF-HKUYNNGSSA-N 346.471 2.687 0 50 EFAA COc1ccc(C2(CNc3ncnc(N)c3Cl)CCOCC2)cc1 277281321 AZEDBDYIDIPWEK-UHFFFAOYSA-N 348.834 2.881 0 50 EFAA Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)cc1 169854043 VRWHERUCFHOZCG-UHFFFAOYSA-N 338.407 2.735 0 50 EFAA CC(C)(C)[C@H](COc1ccccc1F)Nc1ccc2nnnn2n1 169984832 WDZDSVUUXXLFQG-ZDUSSCGKSA-N 330.367 2.564 0 50 EFAA Cn1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 170592479 QTCHXLQFALIWAP-ZDUSSCGKSA-N 337.387 2.574 0 50 EFAA CN1CCCC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 635159432 YOLRIMUWOXZIPR-CYBMUJFWSA-N 328.334 2.580 0 50 EFAA COCCOCc1cccc(NC(=O)NCC2(C)CCN(C)CC2)c1 679555790 QXNJJTBHLCENIZ-UHFFFAOYSA-N 349.475 2.703 0 50 EFAA O=C(c1noc(-c2cccc(F)c2)n1)N1CCOC[C@@H](C2CCC2)C1 647030455 FOBHXJZJCDHUPA-AWEZNQCLSA-N 345.374 2.764 0 50 EFAA O=C(O)c1ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc1 647447738 YGLYKHBOFSGZDN-LLVKDONJSA-N 340.305 2.837 0 50 EFAA O=C(Nc1nnc(-c2ccc(Br)cc2)[nH]1)C1=CCOCC1 192972084 MPGIWRVFYRQAIR-UHFFFAOYSA-N 349.188 2.519 0 50 EFAA CCO[C@H]1C[C@](NC(=O)c2nccc3ccccc23)(C(=O)O)C1(C)C 193023997 FLIMMRZXQOSMGT-LIRRHRJNSA-N 342.395 2.623 0 50 EFAA c1cn2nc(N[C@@H]3CCN(C[C@H]4CCC5(CCCC5)O4)C3)ccc2n1 660594233 PMAQOJTURPXRME-HZPDHXFCSA-N 341.459 2.707 0 50 EFAA COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 202502 RYQRPAQJFFMTON-XNTDXEJSSA-N 326.327 2.927 0 50 EFAA COCCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12073660 WYPBCUVSRVPCGO-CQSZACIVSA-N 331.334 2.512 0 50 EFAA CCS(=O)(=O)c1ncc(CN2CCCC2)n1CCc1ccccc1 12307068 XUUUMHLHPVBUSJ-UHFFFAOYSA-N 347.484 2.515 0 50 EFAA CCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12387466 GFHLMVXIWNLNSI-LBPRGKRZSA-N 343.349 2.516 0 50 EFAA O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1cccc(Cl)c1 18157922 TUSYPDFIJACUPH-UHFFFAOYSA-N 335.816 2.643 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccncc1)CC2 1857680582 PXBJSOLFPWVEGV-UHFFFAOYSA-N 332.407 2.723 0 50 EFAA COCCn1cnnc1[C@H](C)n1ccnc1-c1ccc2cccnc2c1 1857687254 NDQDEWOFMOJGNG-AWEZNQCLSA-N 348.410 2.946 0 50 EFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](C(=O)N(C)C)C1)CC2 331725697 NBNXQWBAAJSTQD-SJLPKXTDSA-N 343.471 2.917 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 237411682 RFGCUGZXZQZTAE-JSGCOSHPSA-N 339.277 2.968 0 50 EFAA Cn1nccc1[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 655281603 BPPSQAURGWZWBS-SQNIBIBYSA-N 335.407 2.527 0 50 EFAA FC(F)(F)Cc1nnc([C@@H]2CCCCN2Cc2ncccn2)o1 341877653 PQUDURWEFHKENL-JTQLQIEISA-N 327.310 2.692 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1 252497434 QHPGQVUNPUUWNA-BRWVUGGUSA-N 335.469 2.552 0 50 EFAA COCOc1ccc(N2CC[C@@H](CNc3cccc(C)n3)C2)nc1 252503895 VHAMWDDYKBLNQQ-HNNXBMFYSA-N 328.416 2.706 0 50 EFAA c1ccc(CN2C[C@H]3[C@@H](N[C@H]4CCCn5ncnc54)CC[C@H]3C2)cc1 252584998 FLESUZALCHSUTR-RDGPPVDQSA-N 337.471 2.613 0 50 EFAA O=C1NCCN(Cc2ccncc2)[C@H]1c1ccccc1Br 371329723 MXBNSBOQHLYCFN-HNNXBMFYSA-N 346.228 2.517 0 50 EFAA COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)c2ccc(F)cc2)cc1 262673374 XTQZZTHYWUHAFI-BRWVUGGUSA-N 343.354 2.761 0 50 EFAA C[C@@H](C(=O)O)c1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 263179347 HCBJSZJCAPPTIN-GFCCVEGCSA-N 341.363 2.827 0 50 EFAA C[C@H]1C[C@@H]1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 162141033 CJVUMASYPITDPZ-WFASDCNBSA-N 342.468 2.847 0 50 EFAA CCOc1cccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 162836038 RBUBVKARPZVVNO-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA CC(C)(C)Cc1ncc(-c2nc(Cn3ccccc3=O)no2)s1 901906891 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CTTYHSMHVHOXPI-YMAMQOFZSA-N 346.475 2.690 0 50 EFAA Cc1cccc([C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1C 245339513 UDFMVZKKXAOYAG-YESZJQIVSA-N 331.460 2.527 0 50 EFAA CCc1ccc(NCc2scnc2C2CC2)cc1S(N)(=O)=O 342456014 RRLQGVGQCCDOBL-UHFFFAOYSA-N 337.470 2.842 0 50 EFAA COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 274557 OILMBFCCPPHYEE-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 296098 QUKOPGBBHROFBN-UHFFFAOYSA-N 348.424 2.675 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 309697 XQJGKESWJQZBSD-AWEZNQCLSA-N 339.395 2.780 0 50 EFAA CCOC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 468576 HQMSLXAQGJTKRR-UHFFFAOYSA-N 327.130 2.741 0 50 EFAA S=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1 2856015 RLGFSWQPEUSZTO-UHFFFAOYSA-N 332.614 2.635 0 50 EFAA Cn1cc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 225397675 VNWWDAOIPAWUQO-DOMZBBRYSA-N 325.334 2.747 0 50 EFAA C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc(C2CCC2)cc1=O 134443624 MOIJQVRZYMCIRC-AWEZNQCLSA-N 337.423 2.879 0 50 EFAA O=C(NCc1cc(C2CC2)[nH]n1)c1ccc(NC(=O)C2CCC2)cc1 55228459 KSADNLOZTXYTQD-UHFFFAOYSA-N 338.411 2.956 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)C(=O)NCC1CCCCC1 247930630 JMKLDANRIRMMMQ-AYOQOUSVSA-N 349.519 2.547 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 248165709 ZQANHDTWWWEVOO-HUUCEWRRSA-N 342.468 2.904 0 50 EFAA CSCCc1n[nH]c2c1CN(CCCn1nc(C)cc1C)CC2 106708902 SFIIMGWJCIDXSI-UHFFFAOYSA-N 333.505 2.577 0 50 EFAA CC(C)(C)c1cnc(CN2CCC[C@@H](n3cc(C(=O)O)nn3)C2)s1 859813690 FXTBILBSPXCWQJ-LLVKDONJSA-N 349.460 2.567 0 50 EFAA O=C(c1ccc(-c2ccncc2)nc1)N1CCC(Cn2cccn2)CC1 67805753 OWRLYXZHWRQDCS-UHFFFAOYSA-N 347.422 2.893 0 50 EFAA COc1c([C@H]2CCCN2C[C@@H](O)c2ccc(F)cc2)c(C)nn1C 229510451 QDZHRKNOBXZDLG-HZPDHXFCSA-N 333.407 2.747 0 50 EFAA C[C@H](NC[C@@H](O)c1ccc(Br)cc1)[C@@H](C)n1cccn1 229568515 HEQLYLFFLHUWCD-YWPYICTPSA-N 338.249 2.918 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)N2CCSC[C@@H]2c2cnn(C)c2)c1C 331612770 MNLVMJMPQDBTHM-MLGOLLRUSA-N 347.488 2.826 0 50 EFAA 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O=S(=O)(c1cnc[nH]1)N1CCC[C@@H]1[C@H]1CCCc2ccccc21 370109619 FWKNNOMNSKEMBU-JKSUJKDBSA-N 331.441 2.683 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1cccc2ccnn12 72169625 AVUVAGIEVVTKPJ-UHFFFAOYSA-N 325.372 2.695 0 50 EFAA CCn1c([C@H]2CCCN2C(=O)c2cnsn2)nc2ccccc21 157300185 RSYNNLWSENEAIA-CQSZACIVSA-N 327.413 2.885 0 50 EFAA O=C(NCCc1cn2c(n1)CCCC2)N1CCCc2occc2C1 378115886 OCSXWTBACGMWHS-UHFFFAOYSA-N 328.416 2.513 0 50 EFAA O=C(O)CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCOCC1 238107773 LNHRLCYZPRMIJF-UHFFFAOYSA-N 332.183 2.699 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1=C(C)N2CCN=C2S1 219908354 KSMZTPYQJJQCFE-HNNXBMFYSA-N 343.452 2.839 0 50 EFAA Cc1ccc(OC(F)F)c(CNC(=O)N2CCN3CCC2CC3)c1 375216743 CMMKJFRAUHPXPY-UHFFFAOYSA-N 339.386 2.586 0 50 EFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccnn12 72467883 KGSYIOROWJANGK-UHFFFAOYSA-N 333.351 2.657 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCO[C@H]2CCCC[C@@H]21 239760906 CIIDLQPOBJXTFD-DUPRYPCISA-N 327.424 2.897 0 50 EFAA Cc1cc(N[C@H](c2nccn2C)C2CCOCC2)nc(C2CC2)n1 284544310 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0 50 EFAA CCn1c(C)cc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c1C 299788326 QNYBMCQKUYCYSD-HHXXYDBFSA-N 334.460 2.923 0 50 EFAA O=C(NCc1cc(COc2ccccc2)cs1)N1CCC(O)CC1 584887709 CUBNAFNAKUZQDI-UHFFFAOYSA-N 346.452 2.993 0 50 EFAA Cc1ccc(-c2nc([C@@H](C)N3CCOCC3)n(CC(F)(F)F)n2)o1 670450785 PPXRRSXFNKGOTQ-LLVKDONJSA-N 344.337 2.802 0 50 EFAA CCON1CCC(CC(=O)N2CC(Nc3ccc(F)cc3)C2)CC1 864095736 YZSZDVXBBNPCTH-UHFFFAOYSA-N 335.423 2.502 0 50 EFAA O=C(O)[C@H](CNc1nccn2nc(C3CCC3)cc12)C1CCOCC1 864368506 APMSSCUOMBVQEQ-CQSZACIVSA-N 344.415 2.536 0 50 EFAA O[C@@H]1C[C@@H](c2nc(C3CC3)no2)C[C@@H]1CNc1ncccc1Cl 952849139 IBRMBLRPQMOECI-DMDPSCGWSA-N 334.807 2.962 0 50 EFAA CC(C)c1cc(NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)ncn1 952849926 VMXXJZJJDCZGSU-GZBFAFLISA-N 343.431 2.827 0 50 EFAA CC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccn(C(C)C)n1)CC2 874521691 WYWJJTRHMJIIAJ-UHFFFAOYSA-N 340.427 2.550 0 50 EFAA O=C(NCc1cscc1Br)[C@H]1CCc2c[nH]nc21 1875297250 IHXIIOZMCOZBCN-VIFPVBQESA-N 326.219 2.580 0 50 EFAA Cn1ncc2c(CNC(=O)CCc3n[nH]c4ccccc34)cccc21 1875358930 NJMSEFFBXKGILH-UHFFFAOYSA-N 333.395 2.699 0 50 EFAA CC[C@@H]1C=CCN1C(=O)CCSc1nnc(-c2ccncc2)o1 952969454 CYHGEHFEFFSNMD-CYBMUJFWSA-N 330.413 2.791 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1F 1433932647 NJXXXTIDJLPMKO-OLZOCXBDSA-N 327.359 2.725 0 50 EFAA O=C(c1ccc(NCc2cnsc2)cc1Cl)N1CCOCC1 1434513034 KGPUZVQCDQXRBS-UHFFFAOYSA-N 337.832 2.881 0 50 EFAA CC(C)(C)C1=CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 270239709 KXJSNWTUEYTJMR-UHFFFAOYSA-N 337.445 2.695 0 50 EFAA Cn1ccnc1-c1cccc(NC(=O)NC[C@H]2CCC[C@H](O)C2)c1 304378983 XWRLAMOARYQROP-BBRMVZONSA-N 328.416 2.760 0 50 EFAA Cn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)c1 304378987 XWRLAMOARYQROP-CZUORRHYSA-N 328.416 2.760 0 50 EFAA CCN1CCC(N2CCC(C(=O)N3CCCCCCC3)CC2)CC1 408517664 LYPCGOPPIQFTRR-UHFFFAOYSA-N 335.536 2.975 0 50 EFAA Cc1ccc(C[C@@H](NC(=O)N2CC[C@@](C)(O)C2)c2ccccn2)cc1 185444837 FYIPTGFDTCEGFL-UYAOXDASSA-N 339.439 2.840 0 50 EFAA Cc1nnc([C@H]2CN(Cc3ccnn3-c3ccccc3)C[C@@H](C)O2)o1 668650008 RAITXTGLWKXBEH-CXAGYDPISA-N 339.399 2.526 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2Nc2cnc3cc(F)c(F)cc3n2)cn1 275527282 LOUXTHLMRQWPHW-SUMWQHHRSA-N 345.353 2.974 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@H](C)Cc3c(C)noc3C)nc2c1 169991984 FJCPFCVSYUSHKB-GFCCVEGCSA-N 326.400 2.743 0 50 EFAA Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(Cl)cn3)C2)n(C)n1 277956966 RMZXBCOYDNLRMB-ZDUSSCGKSA-N 348.838 2.567 0 50 EFAA CC[C@@H](NS(=O)(=O)c1ccc(F)c(OC)c1)c1nccs1 170604991 SONWNDYIARERAM-LLVKDONJSA-N 330.406 2.720 0 50 EFAA C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](Nc2ccccc2)C1 189091511 PBCMQIDCTKPZAR-HOCLYGCPSA-N 331.460 2.640 0 50 EFAA Cc1ccc(Br)cc1C(=O)NCc1nc2cccnc2[nH]1 194223798 HRRMHLXBVIPUEC-UHFFFAOYSA-N 345.200 2.959 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)cc1 198123716 IXNRNFGVXBXCRW-KRWDZBQOSA-N 336.395 2.804 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)cc(O)n1 1506399038 XKXVXEGEZDZXAF-MRXNPFEDSA-N 328.416 2.686 0 50 EFAA CC1=CC2(CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)OCC1 1704302527 OEATVEAJBGOERT-QGZVFWFLSA-N 340.423 2.589 0 50 EFAA CC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)nc1 216412737 HGBXEQYOUDCMFN-SJORKVTESA-N 327.428 2.512 0 50 EFAA Cc1cc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)ccc1F 1772702806 APQXTNJWFNAQNY-UHFFFAOYSA-N 328.387 2.853 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(C)=O 5126375 VSFZHSHFBYFYHW-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA O=C(NCCc1cccnc1)c1coc(COc2cccc(F)c2)n1 11933916 LAWUCAIOTQZOAK-UHFFFAOYSA-N 341.342 2.760 0 50 EFAA O=C1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CCN1Cc1ccccc1F 12150249 CYLRLBSCUOGONZ-VYDXJSESSA-N 342.414 2.599 0 50 EFAA C[C@H]1CN(CC(=O)Nc2nnc(C3CCCCC3)s2)C[C@@H](C)O1 13322602 BPMUMPXELWYDOF-TXEJJXNPSA-N 338.477 2.634 0 50 EFAA CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccccc1 14141533 FMQONMYLWBQVHN-FQEVSTJZSA-N 349.390 2.624 0 50 EFAA CCOC(=O)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 14836259 YCMKNTMLIYIVIP-UHFFFAOYSA-N 332.400 2.595 0 50 EFAA Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2c(C)nn(C)c2n1 14898232 ALSAYANBQIYWHY-UHFFFAOYSA-N 338.367 2.609 0 50 EFAA CCn1nc(C)c(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1C 15076383 NWSMERCEHOSFJE-FQEVSTJZSA-N 344.503 2.744 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 221924869 AUZZHBFEMCACMV-LOWVWBTDSA-N 332.366 2.625 0 50 EFAA COc1cc(CN2CCN(Cc3ccc(Cl)cn3)CC2)ccc1O 225670261 ZAOOVHFPHXDYNE-UHFFFAOYSA-N 347.846 2.767 0 50 EFAA C[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1nc[nH]n1 225810822 PGKWVKNVSXRQSJ-RXMQYKEDSA-N 347.575 2.851 0 50 EFAA Cc1cccc(C[C@@H](CO)NC2CCN(c3nc(C)cs3)CC2)c1 328588077 QUTSUMQFEITCPZ-SFHVURJKSA-N 345.512 2.922 0 50 EFAA CCC[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)O 236827414 FLIUHGGJJQNHQF-CQSZACIVSA-N 339.819 2.758 0 50 EFAA Cc1cccc([C@H]2CCCN2C(=O)NC[C@H]2CNCCCO2)c1C 333683877 PCRRZVSZMGYBFV-SJLPKXTDSA-N 331.460 2.528 0 50 EFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)Cc1c(F)cccc1Cl 238102124 GWXSUSXFBIDPHQ-LLVKDONJSA-N 343.782 2.504 0 50 EFAA O=C(c1cccnc1O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 247953022 UINUKFIJXNZZQA-IRXDYDNUSA-N 337.423 2.524 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 136157641 KSPGXTFCZSVOBW-GFCCVEGCSA-N 345.317 2.841 0 50 EFAA COCCN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CCCc2nn(C)cc21 252510363 ZIKUWSPNJLYABK-HZPDHXFCSA-N 331.460 2.671 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)NCc1nnc2n1CCCC2 155631158 TWSWMKSTNKMSFH-UHFFFAOYSA-N 337.383 2.508 0 50 EFAA CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 264149599 YXCYAHJWJHDMGY-OALUTQOASA-N 330.472 2.833 0 50 EFAA O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1coc(C2CC2)n1 910101379 LSZIFPDDNCSENH-GJZGRUSLSA-N 326.352 2.983 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)cc1Cl 910617299 LQZDCCVQYSGPJV-UIORMTCPSA-N 337.803 2.791 0 50 EFAA O=C(NC[C@@H]1CCC2(CCOCC2)O1)Nc1cnc2c(c1)CCCC2 930768137 KYOBILVRPMQTDY-INIZCTEOSA-N 345.443 2.810 0 50 EFAA COc1nn(C)cc1CNC(=O)Nc1cc(C)n(C2CCCCC2)n1 931489926 WVFHYNBUWYKFKB-UHFFFAOYSA-N 346.435 2.761 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)Nc1cnn3ccccc13)C2 931961172 RNUPCJXMODADIR-UHFFFAOYSA-N 338.415 2.876 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)Nc1nnn(C)c1C(F)F 934812071 NFPRNDFOTSWZEI-VIFPVBQESA-N 337.330 2.568 0 50 EFAA Cc1cc(C(=O)N(C)Cc2cnn(C)c2C)oc1Br 935729428 XUHQUXBGQUCDHR-UHFFFAOYSA-N 326.194 2.665 0 50 EFAA COc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)c(OC)c1 5126595 WZVKKFKFRDKWBJ-UHFFFAOYSA-N 344.396 2.706 0 50 EFAA CC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1-n1cccc1 2325766853 POKUZGUPPVQMIT-LJQANCHMSA-N 339.439 2.837 0 50 EFAA CCc1cn2c(n1)C[C@@H](C(=O)N(C)[C@H]1CCCc3cccnc31)CC2 2325779985 WWCYDPWANVGUJT-RDJZCZTQSA-N 338.455 2.939 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCc4nncn43)cc2)c1C 2325780249 STOPUMVBYITFDF-MRXNPFEDSA-N 336.399 2.597 0 50 EFAA COc1cccc(CN2CC3(CCOCC3)C[C@H]2CC(=O)O)c1C 2325787364 WQKBXACEBYHJCN-MRXNPFEDSA-N 333.428 2.849 0 50 EFAA CC(C)(C)CCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(F)F)CC1 1453386367 NSXZFILBBOMDFS-RYUDHWBXSA-N 330.419 2.869 0 50 EFAA CC(C)c1n[nH]cc1C(=O)N1CC[C@](C)(NC(=O)[C@H]2CCC2(C)C)C1 957356811 BFLZECVZBXHEAO-KUHUBIRLSA-N 346.475 2.690 0 50 EFAA Cn1nccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356151105 RTQVMBIKORVUQQ-FQEVSTJZSA-N 338.455 2.577 0 50 EFAA O=C(NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccco1 3226059 HTABTIBITREGEC-UHFFFAOYSA-N 343.452 2.549 0 50 EFAA COC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(S)nc2c1 3311555 XXYDXJYQWAUGQW-UHFFFAOYSA-N 326.377 2.520 0 50 EFAA COc1ccc(-c2onc(NCC[C@@H]3CCCN3C)c2C(=O)O)cc1 2356158503 MSWMIPRTWAQQIA-ZDUSSCGKSA-N 345.399 2.945 0 50 EFAA COC(=O)CSc1nnc(COc2ccc(Cl)cc2C)o1 4512922 XCNVKBXDHKACEJ-UHFFFAOYSA-N 328.777 2.876 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(C)C 6706762 DJXKJXVNPZERGH-UHFFFAOYSA-N 348.424 2.718 0 50 EFAA Cc1nc(C)c(CN2CCC(Cn3cc(C4CC4)nn3)CC2)nc1C 20998644 WPGIUSXOMGHJRC-UHFFFAOYSA-N 340.475 2.783 0 50 EFAA C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2cncs2)C1 67714159 IUHWCKHDTSXDSE-GUNGLEHYSA-N 331.441 2.891 0 50 EFAA C[C@@H]1CCCN(C(=O)CCNCc2ccc3c(c2)OCCCO3)C1 65374685 VMAFMXIEAJGBPT-OAHLLOKOSA-N 332.444 2.586 0 50 EFAA Nc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 28707091 RQPKSOWRJPRYCN-UHFFFAOYSA-N 347.378 2.857 0 50 EFAA O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1Cl 20103316 ZRCRCQHRLYOMEM-CQSZACIVSA-N 340.770 2.866 0 50 EFAA CN(CCC(=O)Nc1cccnc1)Cc1noc(-c2ccccc2)n1 65408482 PVQBVDNNDZRVFO-UHFFFAOYSA-N 337.383 2.592 0 50 EFAA Cc1nsc(NC(=O)N2CCCN(Cc3cccs3)CC2)n1 63856527 RNMKIGOVJSAXOY-UHFFFAOYSA-N 337.474 2.648 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(OC)cc3F)C2)C1 67921062 DPNSEIQSRBSKBU-LJQANCHMSA-N 336.451 2.769 0 50 EFAA CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(F)cc2)c1 67604078 GBOGPMZFUJSVFW-UHFFFAOYSA-N 329.375 2.846 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2Cc3ccccc3CN2C)c1C 65384680 OTVXMKMCKJOVIB-QGZVFWFLSA-N 339.439 2.621 0 50 EFAA CC[C@H]1C(=O)NCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C 67872595 UTUCVBUOZWMIIQ-HNNXBMFYSA-N 335.354 2.639 0 50 EFAA COc1cccc2c1OCCCN(Cc1ncccc1C(=O)O)C2 65381629 OWXUZUBYASVEFH-UHFFFAOYSA-N 328.368 2.573 0 50 EFAA O=C(CCc1cc2n(n1)CCCNC2)Nc1ccc2ncsc2c1 72424937 YBMQPCXJHHEGDA-UHFFFAOYSA-N 341.440 2.557 0 50 EFAA O=C(NCC[C@H]1CCCCO1)N1CCN(CCc2ccccc2)CC1 181812900 JCGRAGHUUDDMHV-LJQANCHMSA-N 345.487 2.516 0 50 EFAA Cc1cc(N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)ncn1 328654449 XLJNOYTZGBATBG-OAHLLOKOSA-N 326.448 2.717 0 50 EFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2cnc(Cl)s2)c1=O 328651005 VSVQWSFTWXYCIJ-KOLCDFICSA-N 342.852 2.881 0 50 EFAA CN(Cc1ccn(C)c1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328647541 UASUEJOSJDQKKE-GFCCVEGCSA-N 326.366 2.935 0 50 EFAA COc1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)nn1 253398070 KKYSZXSDVZGTMP-UHFFFAOYSA-N 335.339 2.841 0 50 EFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(O)c2ccccc2c1 253419009 GNQAAQXENYBZKC-MRXNPFEDSA-N 348.406 2.734 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)c1ccnc(OCC(F)(F)F)c1 153932450 URPPZAFSTRSXEZ-UHFFFAOYSA-N 337.261 2.546 0 50 EFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 363307889 WVMUDIXMJRUMFX-ZBFHGGJFSA-N 329.419 2.829 0 50 EFAA COc1ccccc1N1CC[C@@H](C)N(C(=O)C2=COCCC2)CC1 364182783 VTBFKQRVQJBVKW-OAHLLOKOSA-N 330.428 2.817 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccc1F)[C@@H]1CCn2cncc2C1 338211873 JKVHOYHFMDWQEK-LLVKDONJSA-N 325.347 2.613 0 50 EFAA O=C(NC[C@@H]1CCCS1)[C@@H]1CCCCN1C(=O)c1cccs1 131644311 WWTHCSFEHOVDON-STQMWFEESA-N 338.498 2.755 0 50 EFAA CN(C)C(=O)c1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)[nH]1 368169005 UTPQNBJHKCXSRQ-INIZCTEOSA-N 331.391 2.509 0 50 EFAA CC(C)Cc1cc(-c2nccn2Cc2noc([C@H]3CCCO3)n2)n[nH]1 77392611 YMSXBVOSAQITOO-CQSZACIVSA-N 342.403 2.755 0 50 EFAA COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)c1OC(C)C 72140707 KGMNXBXMILVCRI-ZDUSSCGKSA-N 329.400 2.998 0 50 EFAA NC(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)nc1 128511157 PVYPAQVRYMOXML-UHFFFAOYSA-N 333.351 2.571 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 374850929 CSHRLUUZGVCTFP-SCOAYWHSSA-N 338.411 2.788 0 50 EFAA O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1CCc1cccc(O)c1 77471576 HCEDSKJVRNKUGR-INIZCTEOSA-N 326.396 2.708 0 50 EFAA Cc1cc(N2CCC[C@@](Cc3ccccc3C)(C(=O)O)C2)nc(N)n1 71754514 ZZHINVPRFSAPSE-IBGZPJMESA-N 340.427 2.590 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(OCC(F)(F)F)cc1 262624527 NKQLRCUWRAKSFV-AXTRIDKLSA-N 331.290 2.526 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)Cc1ccc(C)o1 72474901 AKGCUXPKBGLHES-GOSISDBHSA-N 347.503 2.743 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71750720 HUHDNSQJNFONSP-XUVXKRRUSA-N 340.467 2.884 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(OC)cc1C 41095689 HHUAZFLIAUFFRX-UHFFFAOYSA-N 342.804 2.861 0 50 EFAA CCCc1cnc(C)nc1N[C@@H]1COCC[C@H]1OCc1ccccn1 223627521 DGEQVPFRVADHSE-QZTJIDSGSA-N 342.443 2.919 0 50 EFAA Cc1nc(CCC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)n[nH]1 82086700 SNPRTCFPPIDOOU-MRXNPFEDSA-N 342.443 2.765 0 50 EFAA CSc1ncccc1C(=O)N1CCCN(c2ccnc(C)c2)CC1 82086626 NAZGZQOOLFJPDR-UHFFFAOYSA-N 342.468 2.859 0 50 EFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccnc(C)c3)[nH]c2C1 95390555 HRAZWDTUYSQKKM-AWEZNQCLSA-N 348.406 2.858 0 50 EFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)C2(Cn3cccn3)CC2)C1 91425395 RNQBDXBJAMARFD-IBGZPJMESA-N 345.443 2.713 0 50 EFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@H]1c1cccnc1 91645080 HYKDZTFOWYDERV-SFHVURJKSA-N 348.406 2.545 0 50 EFAA COc1nc2c(cc1C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C)CCC2 91858521 LYOHQTHRBTXMTL-INIZCTEOSA-N 342.443 2.620 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1C 91635902 FOPXKVNEIIERBP-BFUOFWGJSA-N 346.402 2.624 0 50 EFAA OCc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1 95522360 BOULAFSVLDMAAS-QGZVFWFLSA-N 349.438 2.598 0 50 EFAA CC[C@H](NC(=O)c1ccc(N(C)CCO)cc1)c1cc(C)ccn1 244626492 FMQPAJSYYZJVAZ-KRWDZBQOSA-N 327.428 2.700 0 50 EFAA O=C(CN1CCCN(c2ccc(F)cc2)CC1)NCc1cccs1 252489044 JDXYMDBCMUWWOO-UHFFFAOYSA-N 347.459 2.716 0 50 EFAA CCN(C)[C@@H](C)CCNC(=O)N1CCCOc2c(cccc2OC)C1 534584078 GWKUXUMGSXGJLL-HNNXBMFYSA-N 349.475 2.720 0 50 EFAA CN(Cc1nc2ccccc2s1)C(=O)NCc1noc(C2CC2)n1 534586365 SCRNSUNZXRUNNK-UHFFFAOYSA-N 343.412 2.898 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 274936462 DBEDRRBMKDIFHT-QGZVFWFLSA-N 337.427 2.819 0 50 EFAA Cc1nc(CCN(C)C(=O)c2csc(-c3ccccc3)n2)no1 285825771 OERDOJVFVOVNKU-UHFFFAOYSA-N 328.397 2.816 0 50 EFAA Cc1cc2c(NC(=O)N3CCC[C@H]3Cn3cccn3)cccc2nn1 299798632 QXBDSGMRUCBIRJ-AWEZNQCLSA-N 336.399 2.831 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N1CCC(N2CCSCC2)CC1 299790544 BLBIELXVWZIVQR-UHFFFAOYSA-N 346.496 2.665 0 50 EFAA CCc1noc(C)c1C(=O)Nc1cc(NC(=O)COC)ccc1C 824313371 NAPTYTXTOJBTJB-UHFFFAOYSA-N 331.372 2.691 0 50 EFAA CCn1nc(Cc2cccs2)nc1[C@H]1CCCC[C@H]1C(=O)NC 823830688 LJBZMQCJNIIXLU-UONOGXRCSA-N 332.473 2.970 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1C 269292324 UTZHURNPLRIEKB-GDBMZVCRSA-N 326.444 2.689 0 50 EFAA O=C1CCCN1C1CCN(c2cncc(OCC3CCCC3)n2)CC1 185361428 GMECZEBQJPEUJP-UHFFFAOYSA-N 344.459 2.637 0 50 EFAA COc1cccc2c1CN(C(=O)c1n[nH]c3c1C[C@H](C)O[C@@H]3C)CC2 1875294927 YMYMMLBVCMIQDL-NWDGAFQWSA-N 341.411 2.639 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2[C@H]3CCC[C@H]2CC(=O)C3)cc1 1875374021 XROPZAYLHZZERE-HOTGVXAUSA-N 326.396 2.562 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@@H]3C[N@@]3C3CCC3)cc2)CC1 1875379742 VYCCDQNXVPDSMV-UGKGYDQZSA-N 326.440 2.938 0 50 EFAA CC(C)Cc1cc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)n[nH]1 952991362 OMNWXBPNVCCTPO-SNVBAGLBSA-N 327.388 2.790 0 50 EFAA CCCOc1cccc(Cn2cc(CN3C[C@H](C)O[C@H](C)C3)nn2)c1 887551461 LJQJFEPXHNSISF-IYBDPMFKSA-N 344.459 2.724 0 50 EFAA Cc1nn(C)c(CN2CCN(c3nc4ccccc4o3)CC2)c1Cl 891957027 XGRMRZLHSFXLTM-UHFFFAOYSA-N 345.834 2.845 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](Cc2nnc(/C=C/c3ncccc3C)o2)C1 1775956886 PBRAARGDJFLQNJ-PEGRTIRESA-N 326.400 2.791 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)c(C)[nH]3)C2)c(C)o1 1775986700 NHMGQYVEUFURJL-AWEZNQCLSA-N 337.445 2.805 0 50 EFAA CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1nc[nH]n1 1775998393 BIZICLQMRJROAY-UKRRQHHQSA-N 347.488 2.559 0 50 EFAA COc1ccc(C(=O)N[C@H]2[C@H](Cc3ccccc3)[C@@H]3OCC[C@H]23)o1 1565511559 CFVZLSWCMGJXMQ-LTCOOKNTSA-N 327.380 2.664 0 50 EFAA C[C@H](O)CNC(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 1776005941 QTIKBVIVHPKBQX-VIFPVBQESA-N 340.305 2.665 0 50 EFAA c1ccc(-c2cncc(NCc3ccnc(N4CCOCC4)c3)n2)cc1 408513815 QXDXDQKLSPCLFD-UHFFFAOYSA-N 347.422 2.987 0 50 EFAA Cc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1-c1ncco1 631881386 XOINPPBBWNEQMY-UHFFFAOYSA-N 339.399 2.660 0 50 EFAA Cc1nc(C)c(C(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)s1 275560079 IEHRVYQMCBHGTA-CYBMUJFWSA-N 346.456 2.514 0 50 EFAA COc1cccc(Cl)c1CN[C@@H](C)C1CCS(=O)(=O)CC1 276753625 IBAJMEGQFMPFLB-NSHDSACASA-N 331.865 2.652 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 170601274 JJOFWWOXDSSAIV-CHWSQXEVSA-N 349.431 2.608 0 50 EFAA CC(C)(CNC(=O)N1CC(CO)C1)c1ccc(Cl)c(Cl)c1 188022349 UHYSHEFYZQLNOL-UHFFFAOYSA-N 331.243 2.905 0 50 EFAA Cc1ccccc1[C@@H]1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 638001471 SJOQUFRWQLOGJV-DLBZAZTESA-N 326.444 2.613 0 50 EFAA CCCCCC[C@@H](CC)C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1 188796735 PHNVLQQMVXPUOX-CYBMUJFWSA-N 331.420 2.891 0 50 EFAA COc1ccc2sc(C(=O)N3CCCNC(=O)[C@@H]3C)c(C)c2c1 188919067 PLRXTIPRJPTJPZ-NSHDSACASA-N 332.425 2.569 0 50 EFAA CC[C@](NC(=O)[C@H]1Cc2cc(F)ccc2O1)(C(=O)O)c1ccccc1 675982404 KUZASOFULWCCRQ-VQIMIIECSA-N 343.354 2.636 0 50 EFAA O=S(=O)(c1ccc2c(c1)oc1ccccc12)N1CCC[C@H]1CO 651569832 OAGBSQQJJQBNDN-LBPRGKRZSA-N 331.393 2.731 0 50 EFAA COCc1nc(N[C@@H]2CCOc3cc(OC)ccc32)cc(OC)n1 681234515 URNKCBANXBSKSW-CYBMUJFWSA-N 331.372 2.576 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccncc2Cl)C1 1506425020 KGMJIZYWBBLATK-LBPRGKRZSA-N 329.787 2.865 0 50 EFAA Cc1cccc(CC2(NC(=O)c3cnc4ccccn4c3=O)CC2)c1 1506406859 KCDNEWRBLQFTTQ-UHFFFAOYSA-N 333.391 2.508 0 50 EFAA CN(C)Cc1nc(C(=O)Nc2cnn(Cc3ccccc3)c2)cs1 1529173632 ZRLNODDIAZCAFP-UHFFFAOYSA-N 341.440 2.702 0 50 EFAA Cc1cccc2c(CN3C[C@@H](O)[C@H](Cc4cnccn4)C3)cccc12 1529126947 UKWLWABYZPPFTC-DYESRHJHSA-N 333.435 2.974 0 50 EFAA CCN(CCOc1ccc(C)cc1C)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704330460 CSYYLLNLLHSCSM-ZIFCJYIRSA-N 349.471 2.707 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3sc(C(C)C)nc3C)C[C@@H]2O)on1 1704350860 QOOMRZXWQABNQJ-OCCSQVGLSA-N 349.456 2.547 0 50 EFAA Cc1nsnc1C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1775982148 QXAPDZUXHGLQGH-UHFFFAOYSA-N 345.403 2.882 0 50 EFAA O=S(=O)(c1cccs1)N1CCO[C@@H](Cc2cccc(F)c2)C1 12297142 ODHYCOMIMMSADG-AWEZNQCLSA-N 341.429 2.519 0 50 EFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 16192684 NNBPAXVNYJLONX-UHFFFAOYSA-N 343.330 2.828 0 50 EFAA Cc1c(Cl)cccc1NC(=S)NCCCN1CCOCC1 19840979 YXQCZGQQQZKFBL-UHFFFAOYSA-N 327.881 2.657 0 50 EFAA Cc1ccccc1CC(=O)NC1CCN(Cc2c(C)noc2C)CC1 169751652 XYNVBNWPLZUFJV-UHFFFAOYSA-N 341.455 2.923 0 50 EFAA CC(C)n1ccc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)n1 328588382 OMGMIYRQHHQPKW-TZMCWYRMSA-N 334.445 3.519 0 50 EFAA Cc1ccc([C@H]2CN(C(=O)c3cccc4ccnn34)C[C@@H]2N(C)C)cc1 220023963 PAKRVLZYVNCMND-QUCCMNQESA-N 348.450 2.813 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)sc1-c1ccccc1 514739978 XZOLZHIDYSJOBT-GJZGRUSLSA-N 331.437 2.539 0 50 EFAA CC1(C)CN(C(=O)c2snnc2C2CC2)C[C@@H](C(F)(F)F)O1 329306885 YBAXMLWKRLBLKB-QMMMGPOBSA-N 335.351 2.597 0 50 EFAA CC(C)OCC[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 660857218 IIJLNHVKRRGCNX-KRWDZBQOSA-N 345.487 2.993 0 50 EFAA Cc1c(C(=O)N2CCO[C@H](c3ncon3)C2)oc2c(Cl)cccc12 253427651 GIOCOMOBCFGCOP-LBPRGKRZSA-N 347.758 2.991 0 50 EFAA COc1cccc(C(=O)N2CC[C@]3(CCCOC3)C2)c1OC(F)F 375306636 CYNONGGZIVYJJK-QGZVFWFLSA-N 341.354 2.939 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 263038288 VNJBXXNKRVZPOZ-AWEZNQCLSA-N 325.792 2.506 0 50 EFAA COc1ccc(-c2cnc(NCc3ncnn3C(C)C)n2C)cc1 902100627 PIOWFJRYAWTHIQ-UHFFFAOYSA-N 326.404 2.880 0 50 EFAA O=C(O)c1cccc(OCCN2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 903961600 COFWSYZWFVCXNN-IAGOWNOFSA-N 333.428 2.902 0 50 EFAA Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CCCC(=O)N1C 906421466 ZNRQNCAZULIIJK-OAHLLOKOSA-N 340.383 2.527 0 50 EFAA Cc1cccc(CCCN2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)c1 933476743 DAFCQIMCSMSWSK-IEBWSBKVSA-N 327.428 2.519 0 50 EFAA Cc1cc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c2c(n1)CCCC2 2325793120 GHQDTBYXILNYLT-GJZGRUSLSA-N 344.377 2.946 0 50 EFAA CC1=NN(c2ccc(C(=O)N3CC(F)(F)C[C@@H]3CCO)cc2)CC1 2325810844 IQXTVVVWFFVRSN-HNNXBMFYSA-N 337.370 2.505 0 50 EFAA O[C@@H](CN=c1[nH]c2ccccc2n2cncc12)c1ccc(F)cc1F 2325821484 SLBGHFGCBFIXRA-KRWDZBQOSA-N 340.333 2.728 0 50 EFAA CSc1ccccc1OC[C@@H](O)CN(C(=O)C12CC1C2)C(C)C 2325901656 QZJKXBOPMPWTAM-FVRSWCFKSA-N 335.469 2.795 0 50 EFAA Oc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2 204066 QLEMXKCIAQLFMM-UHFFFAOYSA-N 344.363 2.875 0 50 EFAA C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 1812713 DIOSKFFIAWJJRO-CQSZACIVSA-N 335.407 2.704 0 50 EFAA biogenic Cc1occc1C(=O)N1C[C@@H](C)N(C(=O)c2ccoc2C)C[C@H]1C 2748918 XWGLBNFJBKAOLT-VXGBXAGGSA-N 330.384 2.865 0 50 EFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(-c2ccccc2)nc1O 2356149180 OJYHJGYEAFOASI-HDJSIYSDSA-N 340.379 2.827 0 50 EFAA CCOC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 3183399 VAOVXPVYIRPJEU-UHFFFAOYSA-N 335.204 2.962 0 50 EFAA COc1cccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c1 4556195 JCIXJVFPTPDHOV-GOSISDBHSA-N 345.782 2.786 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1NS(C)(=O)=O 10330859 JCOTZXBLVFMNLM-ZDUSSCGKSA-N 332.425 2.858 0 50 EFAA CC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2c(C)cccc21 9938121 SRAVTLCMTKMWOT-UHFFFAOYSA-N 343.456 2.839 0 50 EFAA CN1CCN(c2cccc(Cl)c2CNCC[C@H]2CCOC2)CC1 344258090 BLILLRTZYCZGAZ-HNNXBMFYSA-N 337.895 2.608 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC([C@H](O)C(C)C)CC2)c1 55099172 XCYOREIAKBERGV-GOSISDBHSA-N 332.444 2.904 0 50 EFAA COCCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccs1 55244304 JQROTXLTHNFFML-UHFFFAOYSA-N 339.482 2.800 0 50 EFAA CCN(CCOc1ccc(OC)cc1)C(=O)c1ncc(F)cc1F 55225019 HRMWGUPGFCTYLF-UHFFFAOYSA-N 336.338 2.910 0 50 EFAA CC[C@@H]1C(=O)NCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C 67872594 UTUCVBUOZWMIIQ-OAHLLOKOSA-N 335.354 2.639 0 50 EFAA COC(=O)c1cc(CN2CCC(c3cc(O)nc(C)n3)CC2)cs1 72139101 GYASIXKTPXMCTM-UHFFFAOYSA-N 347.440 2.718 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)C[C@@H]2CCO)c(F)c1 20540836 LRBPAQBGPXZEQC-KRWDZBQOSA-N 336.451 2.646 0 50 EFAA CC(C)N1CCC(NC(=O)CN(C)[C@H]2CCc3ccccc32)CC1 172243309 ROVNCGHVAWDRQM-IBGZPJMESA-N 329.488 2.595 0 50 EFAA COc1ccc2c(c1)C1(CC1)CN(Cc1cnc(N(C)C)n1C)C2 425389084 WTUXNQDQDJIHST-UHFFFAOYSA-N 326.444 2.542 0 50 EFAA NC(=O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67677694 WBGNRAGKDWAEPP-UHFFFAOYSA-N 347.418 2.698 0 50 EFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 281965855 NKWBLLPCAHDJQK-IAQYHMDHSA-N 334.322 2.778 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1scc2c1OCCO2 67673388 YRRUGKYWYOTDEB-UHFFFAOYSA-N 349.412 2.832 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 65397727 RYNXAEUDACMUPL-QGZVFWFLSA-N 346.471 2.797 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3F)nc2)N1 428035271 PHYHPZVOWVIAPX-CYBMUJFWSA-N 329.331 2.620 0 50 EFAA Cn1cc([C@H](O)C(=O)N2CCC[C@@H]2c2cccc3ccccc23)cn1 253406260 XQPOXEAETRCWLH-MOPGFXCFSA-N 335.407 2.970 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 253418689 KBJRXTCIUNXJSA-QGZVFWFLSA-N 336.395 2.956 0 50 EFAA Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 328587922 KBKXPVSBXGLEKD-HNNXBMFYSA-N 340.431 2.790 0 50 EFAA O=C(NCCc1cccc2[nH]ccc12)N1CC[C@@H](CN2CCCC2)C1 283153979 MIBIRWIKDFMRHH-INIZCTEOSA-N 340.471 2.838 0 50 EFAA C[C@@]1(O)CCN(C(=O)c2ccc(O)cc2)C[C@@H]1Cc1ccccc1 72153602 LOMYFXONWHZFNO-FXAWDEMLSA-N 325.408 2.848 0 50 EFAA CCSc1nc2ncc3c(=O)n(-c4ccc(C)cc4)ccc3n2n1 30875466 JTVVLTLSFARMEL-UHFFFAOYSA-N 337.408 2.849 0 50 EFAA CCOc1ccccc1NC(=O)[C@@H](C)N1CCOCC2(CCC2)C1 363883926 DENCCTCECHFUIH-OAHLLOKOSA-N 332.444 2.915 0 50 EFAA CN(C)CCCN(C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 72151109 PHDYNHDJJHRCCJ-IBGZPJMESA-N 345.531 2.839 0 50 EFAA CC/C=C\C[C@H](O)[C@H](O)/C=C/[C@H](O)CCCCCCCC(=O)O 35454825 MKYUCBXUUSZMQB-HAOPIQBUSA-N 328.449 2.797 0 50 EFAA endogenous,in-man O=C(N[C@H](c1nccs1)C1CC1)c1ccc(N2CCOC2=O)cc1 173671085 QHUKFTIOKMDRQA-AWEZNQCLSA-N 343.408 2.981 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)n1 77437597 IWACIZLJZFOTBF-CYBMUJFWSA-N 335.411 2.640 0 50 EFAA O=C(c1cc(-c2cccs2)on1)N1CCCC[C@@H]1c1nc(O)n[nH]1 333141368 CJVRVEQAYXNDMC-SNVBAGLBSA-N 345.384 2.594 0 50 EFAA CN1CCC(N(Cc2ccc(C(=O)O)cc2)Cc2cccnc2)CC1 72161763 SCUHHDSQSBSFRM-UHFFFAOYSA-N 339.439 2.876 0 50 EFAA Cc1ccc(C(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nn1 334037839 NPKSSJNEWQBVIH-ZDUSSCGKSA-N 346.456 2.753 0 50 EFAA CCCc1nnc(C(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)o1 71763585 BYDXGWAGCGBICS-UHFFFAOYSA-N 343.362 2.824 0 50 EFAA Fc1ccccc1-c1cc(NCc2nnc3n2CCC3)n2nccc2n1 72128262 LDYWQXZPNALCPS-UHFFFAOYSA-N 349.373 2.685 0 50 EFAA CCCOc1ccc(OCCN2CCC[C@]3(C2)CN(C)C(=O)O3)cc1 72168758 VZXHOYLSQOXDEN-LJQANCHMSA-N 348.443 2.771 0 50 EFAA Cc1cc(Cl)c(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1Cl 240756951 HVRISFZLGYKCFX-NSHDSACASA-N 344.242 2.850 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Cc2nc(-c3ccco3)oc2C)n[nH]1 161275681 APHMLMBKXGJXMU-SNVBAGLBSA-N 328.372 2.564 0 50 EFAA C[C@H]1CSc2ccccc2N1C(=O)C1CCN(C(=O)N(C)C)CC1 176649961 WSBXHRSBJQCRLO-ZDUSSCGKSA-N 347.484 2.907 0 50 EFAA CCCc1nc2ccccc2n1[C@@H](CC)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 426428336 NUHBEXUTALGWNP-GUTXKFCHSA-N 343.427 2.919 0 50 EFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCCc1cn2ccccc2n1 288754595 YKFPHDJSVYUNRN-FZKQIMNGSA-N 336.395 2.698 0 50 EFAA FC(F)(F)Cc1noc(-c2cccc(CN[C@H]3CCOC3)c2)n1 289992939 XRGKDICWWKCVJM-LBPRGKRZSA-N 327.306 2.720 0 50 EFAA Cc1ccc(OCCCN(C)C(=O)NC[C@@H]2CCN(C)C2)c(C)c1 426535885 NWUYOUKYJROCJS-KRWDZBQOSA-N 333.476 2.665 0 50 EFAA COCCn1cc(CN2CCc3cc(OC)c(Cl)cc3C2)cn1 294122424 TXOWMHXJCDSBAS-UHFFFAOYSA-N 335.835 2.750 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 97578610 JJWOHQADBVEYSE-MRXNPFEDSA-N 340.383 2.833 0 50 EFAA Cc1ncsc1CN1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95500915 YEPSOXSOBAYZTC-GXTWGEPZSA-N 348.497 2.531 0 50 EFAA COc1ccccc1-n1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cn1 91519131 CEAQWIDTDNDEGC-CRAIPNDOSA-N 341.411 2.665 0 50 EFAA Cc1cc(C)n([C@H](C)CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1 97743000 UKWROAYOUPRLCK-GFCCVEGCSA-N 327.388 2.782 0 50 EFAA C[C@@H]1CC[C@@H](CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1 237532550 AWMMGJBWDRDJBA-WBVHZDCISA-N 345.439 2.979 0 50 EFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 96138257 ZVVWKQSSFIAVJU-MRXNPFEDSA-N 325.412 2.757 0 50 EFAA CN(C)Cc1ccccc1CN(C)C(=O)CC[C@H]1CCCCN1C 95375471 JPISPWQCPMTKCL-LJQANCHMSA-N 331.504 2.971 0 50 EFAA Cc1csc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)n1 93336422 YBFGDIWXIJJHCZ-UHFFFAOYSA-N 342.468 2.881 0 50 EFAA Cc1nnc(CN2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)s1 244708332 KRTHVJKXOHNFKE-RDJZCZTQSA-N 335.473 2.564 0 50 EFAA c1cnc(N2CCN(Cc3cc(C4CCCCC4)no3)CC2)nc1 244678963 INDMMAQJKPFBSY-UHFFFAOYSA-N 327.432 2.835 0 50 EFAA C[C@H](NC[C@H]1CCCn2ccnc21)C(=O)N1c2ccccc2C[C@H]1C 299754033 PANHYQQXKBUUOX-HLLBOEOZSA-N 338.455 2.716 0 50 EFAA COc1ccc(C)cc1NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 299758727 LHUPGJICXFNTPY-MRXNPFEDSA-N 347.459 2.769 0 50 EFAA COc1cc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc(OC)c1OC 292840420 FFIOLMPOPSZPQO-NSHDSACASA-N 348.447 2.979 0 50 EFAA COc1ccc(Cl)cc1C(=O)N1CCN(C2CCCC2)C(=O)C1 299772079 YVDCGOXQOCOALD-UHFFFAOYSA-N 336.819 2.576 0 50 EFAA O=C1CC(=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725243821 JOOVVUBJQVRGRN-UHFFFAOYSA-N 335.359 2.779 0 50 EFAA CN(C)CCN(Cc1c(Cl)cncc1Cl)C[C@H]1CCCO1 877524791 GCOMYXLMAXPBPI-GFCCVEGCSA-N 332.275 2.931 0 50 EFAA CC1(C)[C@@H](O)C[C@@H]1CN=c1[nH]c(-c2cccnc2)nc2ccccc12 1875288023 KVLHOWRVAFQDGQ-PBHICJAKSA-N 334.423 2.933 0 50 EFAA CC(C)N(Cc1cccnc1)S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 1875288661 TYDLSOCSSMSGCP-INIZCTEOSA-N 338.473 2.724 0 50 EFAA CC[C@@H](NC[C@@H]1C[C@@H](c2n[nH]c(C(C)C)n2)C[C@@H]1O)c1ccncc1 1875279663 UTEFKEXALDVHTJ-TWMKSMIVSA-N 343.475 2.919 0 50 EFAA CC(C)N(Cc1ccc(F)cc1F)C(=O)C[C@H]1C=CS(=O)(=O)C1 1875254909 YYTPZUZHBWENIV-GFCCVEGCSA-N 343.395 2.650 0 50 EFAA COc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCNC[C@@H]3C)s2)cc1 1875310823 DGAVVKUQDMQIBC-SWLSCSKDSA-N 345.468 2.889 0 50 EFAA O=C(C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1)N[C@@H]1CC[C@H]2COCC[C@@H]2C1 1875340977 BERZXJQNOHJGMI-VEAXJEOVSA-N 334.504 2.724 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2c(C)nn(C)c2C)cc1 1875374475 RYYWSKBTDKXONS-GFCCVEGCSA-N 340.427 2.677 0 50 EFAA CCC(=O)N1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875394793 WZESAKKJBOGWRK-AWEZNQCLSA-N 333.432 2.585 0 50 EFAA CCNC(=O)c1cc(NC(=O)[C@H]2CCCCCN2C)ccc1Cl 952980159 YGEYOHVIPDWMRL-OAHLLOKOSA-N 337.851 2.903 0 50 EFAA COc1cccc2c1CC[C@H](N[C@H]1CCO[C@@H]1c1cn(C)nc1C)C2 886068591 MCZLHAQPTBJEAR-ZAAXVRCTSA-N 341.455 2.714 0 50 EFAA COc1cccc(C)c1NC(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 888100305 PFUPVSHJXLGPSQ-BXUZGUMPSA-N 346.387 2.689 0 50 EFAA C[C@H]1CCCN(C(=O)Cc2csc(SCCN(C)C)n2)[C@@H]1C 1362341421 VYMFGGHBTXFTMZ-QWHCGFSZSA-N 341.546 2.986 0 50 EFAA Cc1nn([C@H]2CCCCO2)c(C)c1C(=O)N(C)Cc1ccccn1 408522308 HGSSYZPDWRXOLJ-MRXNPFEDSA-N 328.416 2.866 0 50 EFAA COC[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 185637424 AMROEGMIGBPFAZ-KGLIPLIRSA-N 332.213 2.732 0 50 EFAA Cc1ccccc1NCCC(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O 273910858 UDIDCHKOGIESEM-SJLPKXTDSA-N 344.455 2.784 0 50 EFAA Cc1cc2c(NC[C@H](O)c3cccc(OC(C)C)c3)nccn2n1 186057368 MARIHBZLOQSOSF-KRWDZBQOSA-N 326.400 2.970 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)cc1)NC1Cc2ccccc2C1 186524777 HZGVXSYSXLPIEF-UHFFFAOYSA-N 332.407 2.839 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 277533110 QTBZTNTWBXLMEV-CZUORRHYSA-N 333.407 2.576 0 50 EFAA Cn1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 170615864 LGMYJLYHTIZIQE-MRVWCRGKSA-N 329.366 2.876 0 50 EFAA C[C@@H](c1ccc(F)c(F)c1)N1CCN(CCc2cnccn2)CC1 640096574 DMZYVUFSXPZGFI-AWEZNQCLSA-N 332.398 2.676 0 50 EFAA O=C([C@H]1CC=CC[C@H]1c1nc(-c2ccsc2)no1)N1CCOCC1 190130166 HCUIZEYHGWOPME-KGLIPLIRSA-N 345.424 2.707 0 50 EFAA CC[C@]1(C)CN(C(=O)NCC2CCN(c3ccncc3)CC2)CCO1 190799965 XIRMEAJBNBLRKH-LJQANCHMSA-N 346.475 2.509 0 50 EFAA CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 193734177 LLAYZWRNOKZSLX-DZGCQCFKSA-N 348.399 2.907 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(Cl)cc1 194644914 IHCUDFOKSZWVNW-ZBFHGGJFSA-N 326.824 2.584 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)NC[C@H]1CCC2(CCCC2)O1 654423317 KVYPYKNTELFKJA-OAHLLOKOSA-N 347.459 2.998 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)NC[C@@H]1CCC2(CCCC2)O1 654423314 KVYPYKNTELFKJA-HNNXBMFYSA-N 347.459 2.998 0 50 EFAA 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2.604 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)C2)cc1 142830842 GKTGAZXSZUWOIC-INIZCTEOSA-N 340.423 2.923 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1C 426438791 GDQXJXOYHREJJS-VDZJLULYSA-N 333.428 2.802 0 50 EFAA Cn1ccnc1C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 91616365 UNILFAQKMLAHAW-MRXNPFEDSA-N 344.846 2.816 0 50 EFAA Cc1csc([C@@H](C)NC(=O)c2cnc(-c3cccnc3)nc2O)n1 91593831 NDIHSRDTASMTED-SNVBAGLBSA-N 341.396 2.500 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)c2nn(C)cc2Cl)CC1 92021702 VKGJWKOQZCHIDG-UHFFFAOYSA-N 332.835 2.734 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 91725366 PNHNQUSFXUXTLD-HXUWFJFHSA-N 346.471 2.538 0 50 EFAA O=C(NCC1(C2CC2)CCC1)c1ccc2c(=O)[nH]c(S)nc2c1 162632046 YNQMDDTVWIXYJM-UHFFFAOYSA-N 329.425 2.522 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)ncn2CCO 97475118 JTSUVANOQOKCSP-HNNXBMFYSA-N 337.423 2.780 0 50 EFAA C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](CN)C1 299739172 LMPWBORQTBWHHC-FUHWJXTLSA-N 338.451 2.852 0 50 EFAA Cc1cc(C(=O)NC2CCN(Cc3cccs3)CC2)cc(O)n1 375037207 IVIGZTXMXICMIZ-UHFFFAOYSA-N 331.441 2.552 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)C1 299789019 WFJYENOIPYLWLJ-CQSZACIVSA-N 349.406 2.636 0 50 EFAA Cc1cc(C)cc(N2CCC(NCCN3CCCC[C@@H]3CO)CC2)c1 828710780 CWURADNZWRJSMX-HXUWFJFHSA-N 345.531 2.709 0 50 EFAA CCC[C@H](C(=O)N1CCOc2ccc(CO)cc2C1)n1cccc1 584894636 VCFHDUJRAYUTCT-QGZVFWFLSA-N 328.412 2.743 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1 670450618 GMLQHSOWSFLXHG-IBGZPJMESA-N 340.471 2.912 0 50 EFAA O=C(N[C@@H]1COC[C@H]1C1CC1)c1ncccc1-n1ncc2ccccc21 1875271896 IVKGMILNFNUBJZ-JKSUJKDBSA-N 348.406 2.575 0 50 EFAA COC(=O)c1cc2cc(S(=O)(=O)NC3(C)CC3)sc2s1 1875289769 NLGNIOJUQBNSMY-UHFFFAOYSA-N 331.440 2.580 0 50 EFAA CC(C)(C)OC(=O)CCSCC[C@H](C(F)F)N1CCOCC1 1875275637 LTXCMZGRZXSDTQ-GFCCVEGCSA-N 339.448 2.807 0 50 EFAA O=C1C[C@H](C(=O)NCc2cccc(Oc3cccc(F)c3)c2)CCN1 1875322779 HULCHBOARUPYGN-CQSZACIVSA-N 342.370 2.760 0 50 EFAA Cc1cc(F)cc(-c2noc([C@H]3COCCN3CC(F)F)n2)c1 1875338436 YEACGTQJWJALRX-GFCCVEGCSA-N 327.306 2.823 0 50 EFAA Cc1c(F)cccc1C(=O)NC[C@@]1(c2ccccc2)CCC(=O)N1 1875307651 HUNPMLUGGQZGDP-LJQANCHMSA-N 326.371 2.669 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952966054 VJMFWUUMKDKGLG-LBPRGKRZSA-N 341.415 2.538 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)c2cc(CC(C)C)nc(O)n2)c1 952972581 PEQVSQSDXMQKPC-QGZVFWFLSA-N 341.411 2.977 0 50 EFAA CNC(=O)[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1 1776002172 YUPPOQKEBQJQFI-AIGDTVQASA-N 345.402 2.852 0 50 EFAA Cc1ccccc1CC(=O)N1C[C@](O)(C(F)(F)F)c2cccnc21 1776000036 KUYNZEYGVIDAOX-MRXNPFEDSA-N 336.313 2.729 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cc(C2CC2)no1 1565507039 SMKCQMWOMQVMNC-YJBOKZPZSA-N 342.395 2.656 0 50 EFAA O=C(c1conc1C(F)(F)F)N1CCC(C2CCOCC2)CC1 1469320307 FGVJOYYCZCTHEJ-UHFFFAOYSA-N 332.322 2.972 0 50 EFAA COC(=O)c1ccc(N2CC[C@H](Oc3cccc(Cl)c3)C2)nn1 301833031 JNMMBZHATDVXEY-ZDUSSCGKSA-N 333.775 2.574 0 50 EFAA CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)CC1 408493353 AKDLZXBOOLFGLU-CYBMUJFWSA-N 335.425 2.658 0 50 EFAA CN(C)c1cc(C(=O)NC2(CF)CCOCC2)c2ccccc2n1 408520343 WTZZZPQCDYHJSU-UHFFFAOYSA-N 331.391 2.549 0 50 EFAA C[C@H]1CN(CCO)CCN1Cc1cccc(Br)c1Cl 411862305 FZFCAOLHIJUIAN-NSHDSACASA-N 347.684 2.601 0 50 EFAA C[C@H]1CCN(C(=O)CCCCN2CCOCC2)c2c(O)cccc21 186319035 OJDFKCZUXYFEOB-HNNXBMFYSA-N 332.444 2.735 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)NCc1nnc(C2CC2)n1C1CC1 280872716 SXEBWAYQGJYKCE-UHFFFAOYSA-N 343.431 2.689 0 50 EFAA Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c(Cl)c1 191213990 IGZLKUIVNOBROC-UHFFFAOYSA-N 349.906 2.748 0 50 EFAA CC1=CCCN(C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)C1 644459746 JGPZMBRAHWLYFE-FQEVSTJZSA-N 328.456 2.582 0 50 EFAA Cc1n[nH]nc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 194080546 GHBZKZGSJGDRPT-UHFFFAOYSA-N 342.399 2.817 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CCC[C@H](N)C3)cc2)c(C)c1Cl 195108580 XHWZPPGNIHAGBD-AWEZNQCLSA-N 332.835 2.706 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(C)oc1C)C2 213058777 BUGWGYWTVKGTHV-CVEARBPZSA-N 330.428 2.926 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ccncc3)CC1)OCC2 1704358369 IQQFGXCOAJHLAF-UHFFFAOYSA-N 338.407 2.794 0 50 EFAA CCNC(=O)c1ccc(N[C@H](CCN(C)C)c2ccccc2)nc1 1704313639 KUTPOFYRIJZWDW-QGZVFWFLSA-N 326.444 2.936 0 50 EFAA COc1cc(CN2C[C@H]3C[C@@]3(C)C2)cc(Cl)c1OCC(=O)O 1772817049 GJHCBHUPZTUFBS-BZNIZROVSA-N 325.792 2.654 0 50 EFAA Cc1csc(CNC(=O)c2coc(COc3ccccc3)n2)n1 12584125 GOUARCFZUZBJMK-UHFFFAOYSA-N 329.381 2.949 0 50 EFAA CCc1nc(C[C@H]2CCCN(c3nc4ncccc4o3)C2)n(CC)n1 1857674673 SNNRPIFFZFITQT-CYBMUJFWSA-N 340.431 2.856 0 50 EFAA O=C(CNc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857714067 QSMVRIAVYGNDBC-UHFFFAOYSA-N 347.422 2.511 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(C3Cc4ccccc4C3)C2)N1Cc1ccccn1 216245679 SRXJAYYEHZKKQX-QUCCMNQESA-N 347.462 2.672 0 50 EFAA Cc1ccc(CNC(=O)N2CCC(c3nncn3C)CC2)c(C)c1 123212983 GAWSDRFKFJUAGH-UHFFFAOYSA-N 327.432 2.521 0 50 EFAA CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)ccn1 634787848 RVUSWGIHKZEISH-UHFFFAOYSA-N 348.424 2.902 0 50 EFAA COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]43 245225733 JSLDLCGKZDUQSH-VOZFDMMCSA-N 336.435 2.562 0 50 EFAA biogenic O=C(c1cccc2nc[nH]c12)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348262689 JRHDLSFLPALEFD-XJKSGUPXSA-N 325.343 2.650 0 50 EFAA CCc1ccc(O)c(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 151494529 MATJOVKTWYHLOY-SFHVURJKSA-N 327.380 2.874 0 50 EFAA Brc1ccc(-c2noc(CN3CCO[C@@H]4C[C@H]43)n2)s1 367847217 DXBPGFQYVBQPDZ-HTQZYQBOSA-N 342.218 2.534 0 50 EFAA COc1ccc(F)cc1C(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 262303468 XVLMAXRBWFDTOY-PBHICJAKSA-N 328.387 2.649 0 50 EFAA CC(C)c1nc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)cs1 262955494 HPCZCTUOMIJOTL-AWEZNQCLSA-N 346.408 2.757 0 50 EFAA C[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@H](c2ccco2)C1 162958758 RUFLIPAMQMRCPW-FZMZJTMJSA-N 328.372 2.779 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 266926783 XOIOXBCDDUQJMS-QAPCUYQASA-N 326.444 2.652 0 50 EFAA Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 267089266 UHBNOWRUJFARHL-HNNXBMFYSA-N 337.420 2.665 0 50 EFAA Cc1ccc(CC(=O)NCc2noc(C(F)(F)F)n2)cc1Cl 935705690 JHCNNBVEDAMABC-UHFFFAOYSA-N 333.697 2.909 0 50 EFAA CC[C@H](C(=O)N=c1[nH][nH]c(C)c1-c1ccc(OC)cc1)n1cccn1 2100534700 UKRPHXRFDPXOCH-OAHLLOKOSA-N 339.399 2.602 0 50 EFAA O=C(COCc1nc2ccccc2[nH]1)N1CCc2ccccc2CC1 2100537777 VHGNRJQYIQXYSZ-UHFFFAOYSA-N 335.407 2.707 0 50 EFAA COCc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n[nH]1 2325791146 YZTLQBLBVUYACB-UHFFFAOYSA-N 349.818 2.893 0 50 EFAA C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc2c(nn1)CCCC2 2325792528 NQUOPEOPSVFBGA-BMLIUANNSA-N 327.359 2.747 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CC(C)(CCN(C)C)C3)cc12 2325802626 QTBMVANMTHMBLI-UHFFFAOYSA-N 333.407 2.729 0 50 EFAA Cc1cn2c(n1)[C@@H](C(=O)NCc1ccc(-c3cnc[nH]3)cc1)CCC2 2325823550 WWHOZSMZPHIFRR-INIZCTEOSA-N 335.411 2.775 0 50 EFAA CN(Cc1cc(Br)cc2c1OCC2)C1CCNCC1 228494343 AJONFHQPBUUXHR-UHFFFAOYSA-N 325.250 2.568 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CN1c1ccccc1 245344218 YELOCJFZHHPGEG-MTNOOBJLSA-N 342.487 2.532 0 50 EFAA CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O 367801 UHABBBHYVWTCQE-UHFFFAOYSA-N 340.379 2.852 0 50 EFAA CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 619852 IXINXYDGCBQQLO-UHFFFAOYSA-N 346.441 2.547 0 50 EFAA CCOc1ccccc1-c1cnc2cncc(N3CCC(O)CC3)n12 2356145584 RGXWYJVEIBGMCU-UHFFFAOYSA-N 338.411 2.756 0 50 EFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cn[nH]c3)C2=O)cc1 2356156695 MYHSHEIAJPNABF-LJQANCHMSA-N 338.411 2.520 0 50 EFAA COc1cccc(C)c1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356165453 IWZBPBDBICWANB-HXUWFJFHSA-N 342.439 2.763 0 50 EFAA CCC(CC)C(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 4102063 BJUFBUYLSAPFNL-HNNXBMFYSA-N 325.405 2.906 0 50 EFAA Cc1ccsc1CN(C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 4867407 XTBXUSZGWFDTDC-OAHLLOKOSA-N 349.477 2.886 0 50 EFAA CC(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 4997972 JKUVUFYLLFEZNI-UHFFFAOYSA-N 338.454 2.711 0 50 EFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(F)ccc1F 52537639 GKOHERGROAOKSA-UHFFFAOYSA-N 349.356 2.865 0 50 EFAA CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 8062214 PITZMVVNBVKCGC-UHFFFAOYSA-N 338.816 2.843 0 50 EFAA O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245662 XMKKDECRZYHSFL-HNNXBMFYSA-N 326.371 2.855 0 50 EFAA C[C@@]12CC3CC(C(=O)NCCN4CCC(CO)CC4)(C1)C[C@](C)(C3)C2 55132523 CBDYBIWZPFNYQM-DLIHROTGSA-N 348.531 2.804 0 50 EFAA CN1CCC(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 65363971 MXEXOIBNPQOPIM-UHFFFAOYSA-N 346.452 2.960 0 50 EFAA COCCN1CC[C@H](NC(=O)c2cccc3c2ccn3CC(C)C)C1 345927794 JLDCGOFPWGJFNW-INIZCTEOSA-N 343.471 2.748 0 50 EFAA O=C(Nc1ccn(Cc2ccccc2)n1)N[C@H]1CCN2CCCC[C@@H]12 229214446 PDGGARBNGBMUIH-IRXDYDNUSA-N 339.443 2.680 0 50 EFAA Cc1cc(C(=O)N(C)c2ccccc2)ccc1N(C)S(C)(=O)=O 65362389 MFABIIHIJJKDII-UHFFFAOYSA-N 332.425 2.667 0 50 EFAA COc1cc(OC)c2c(C)cc(NCCCN3CCOCC3)nc2c1 23550221 CFFLVCIFKAVXQJ-UHFFFAOYSA-N 345.443 2.695 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)c1ccc(F)cc1 252517630 NCSXDRDCLVIDEI-XJKCOSOUSA-N 328.453 2.536 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H]1c2ccccc2C[C@H]1O 120410334 CUCSLMHQYBXZOI-TZMCWYRMSA-N 337.301 2.880 0 50 EFAA O=C1OCCN1c1cccc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 252670726 LNRWSJYFIDAVQC-GVAFMPQTSA-N 327.384 2.905 0 50 EFAA Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2C(=O)O)s1 320727850 RLKKVCAEGGAROD-UHFFFAOYSA-N 339.438 2.584 0 50 EFAA COc1ccc(OCn2ccc(C(=O)N3CCCCCC3)n2)cc1 2806580 OSEQZELMUSTUBH-UHFFFAOYSA-N 329.400 2.944 0 50 EFAA CCCC[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 253397372 WTLMDSPZLGGBMP-RHSMWYFYSA-N 331.460 2.901 0 50 EFAA CCOC1CC(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 253419054 RKWLSLZAXVHALC-DCBWTQNWSA-N 329.437 2.695 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccco2)nc2ncnn12 216513902 AJUGDWZUINVNMY-ZDUSSCGKSA-N 325.372 2.818 0 50 EFAA COc1ccc2cc([C@@H]3CN(c4ccnc(N)n4)CCO3)ccc2c1 71615262 WAQYNWMITVUSPO-KRWDZBQOSA-N 336.395 2.799 0 50 EFAA O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc2c(c1)CCO2 363372172 VGTBQCWDBKRJNU-UHFFFAOYSA-N 335.367 2.524 0 50 EFAA Cc1c[nH]c(CN2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)c(C)c1=O 72418051 AXKUXNCRGGBBCU-MRXNPFEDSA-N 340.423 2.755 0 50 EFAA CCn1c([C@H]2COCCO2)nnc1N1CC2(CCC2)c2ccccc21 329612303 DOQXQCVYNOGJTR-MRXNPFEDSA-N 340.427 2.959 0 50 EFAA CN(C)CCOC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 215034674 GHZOXPCPJJPMNG-UHFFFAOYSA-N 346.450 2.554 0 50 EFAA FC(F)Oc1ccc(-n2nnnc2CSC2=NCCS2)cc1 124865807 QFXKIEIHENDTOD-UHFFFAOYSA-N 343.384 2.600 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 365461252 MDIPJQAEOAYCND-GOSISDBHSA-N 349.438 2.685 0 50 EFAA CCc1nn(C)c2n[nH]c(NC(=O)c3coc4ccc(OC)cc34)c12 442709270 BHBVZHCMAFQJBA-UHFFFAOYSA-N 339.355 2.866 0 50 EFAA CCc1nccn1CCC(=O)N1CCN(c2ccccc2C)C[C@H]1C 77393426 HYLGUGJPWOPEBB-QGZVFWFLSA-N 340.471 2.881 0 50 EFAA Cc1c(-c2cc(CN3CC[C@@H](O)c4ccccc4C3)on2)cnn1C 368737225 KDPUTGWQCPWRNY-LJQANCHMSA-N 338.411 2.823 0 50 EFAA CC[C@@H](OC1CCCCC1)C(=O)Nc1nc(CC(=O)O)cs1 237055401 HEEIUHVIDQTEHP-GFCCVEGCSA-N 326.418 2.837 0 50 EFAA O=S(=O)(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1cccc2c1OCC2 333760347 COEWRZPKEUMWAH-RYQLBKOJSA-N 341.432 2.628 0 50 EFAA CC(C)(C)n1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)nn1 374390650 PGVPNBQBWBWKHB-OAHLLOKOSA-N 342.491 2.946 0 50 EFAA COc1ccnc(N2CCN(Cc3ccc([C@H]4C[C@H]4C)o3)CC2)n1 129594821 WRUBLDWGELPJNY-HIFRSBDPSA-N 328.416 2.524 0 50 EFAA Cc1nc(CC(=O)NCCN2CC[C@H](c3ccccc3C)C2)cs1 77318987 PWXKPWIMNJWBJR-INIZCTEOSA-N 343.496 2.908 0 50 EFAA O=C(CC(=O)N1CCC[C@H]1CCc1ccccc1)NCC(F)(F)F 378539835 JFHSBXXHDLRYIN-AWEZNQCLSA-N 342.361 2.679 0 50 EFAA C[C@@H](COc1ccccc1)NC(=O)c1ccc(N2CCOCC2)cc1 72437404 CUJNZMXXSAGHHC-INIZCTEOSA-N 340.423 2.721 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 77506173 TZGCYTNRBPUXRO-ZDUSSCGKSA-N 341.440 2.520 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(CN2CCCCCC2)cc1 223071041 FAGVXSPRDISMGB-RTBURBONSA-N 346.471 2.596 0 50 EFAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 239591326 BAWOICOIYVEIFP-OKZBNKHCSA-N 344.455 2.897 0 50 EFAA C[C@H](O)[C@H]1CCN(C(=O)NCCCO[C@H]2CCCc3ccccc32)C1 239672660 BUNPMQOFPQPQNG-IEZWGBDMSA-N 346.471 2.883 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 240423749 FQLCTXSDCUGFDW-RNIPGJKVSA-N 348.402 2.888 0 50 EFAA COc1cccc(N2CCN(Cc3ccc(C(C)=O)cc3)CC2=O)c1 82139477 SPJUDJFJJDCEQX-UHFFFAOYSA-N 338.407 2.747 0 50 EFAA COc1ccccc1OC1(C(=O)O)CCN(c2ccnc(C)c2)CC1 82138532 WKKHTAXTRWMIJU-UHFFFAOYSA-N 342.395 2.901 0 50 EFAA C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 263557251 ZKTSBZKEOXUGNM-VHDGCEQUSA-N 327.380 2.977 0 50 EFAA CN(C)[C@H](CNC(=O)c1cnoc1-c1ccccc1)c1ccco1 136101323 XYGYTENDUOHMQK-OAHLLOKOSA-N 325.368 2.967 0 50 EFAA COC(=O)c1cccc(C[C@H]2COc3ccc(OC)cc3C2=O)c1 44124028 KHPUHUAMLMEFTH-AWEZNQCLSA-N 326.348 2.916 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)Nc1ccc2c(c1)COC2=O 426502862 HHRGGXIPMOOMQZ-CQSZACIVSA-N 344.367 2.755 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)c1cccc(-c2cccc(N)n2)c1)C1CC1 426382851 AVZIMWSGKNTRAX-SFHVURJKSA-N 347.422 2.945 0 50 EFAA O=C([C@H]1CCOc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 96138258 ZVVWKQSSFIAVJU-INIZCTEOSA-N 325.412 2.757 0 50 EFAA COCCC[C@H]1CCCCN1C(=O)c1cc(OC)cc(C(=O)OC)c1 95356206 LECSMRDEVTYNGK-MRXNPFEDSA-N 349.427 2.903 0 50 EFAA Cn1cc(CN2CCC[C@H](n3ccnn3)C2)c(C2CCCCC2)n1 333420009 IWKLIPVCHOAQQZ-KRWDZBQOSA-N 328.464 2.896 0 50 EFAA Cc1cc(C(=O)N[C@@H](CCO)c2ccc(C(C)C)cc2)c(=O)[nH]c1C 96164345 USOSGXJXBBLOSK-SFHVURJKSA-N 342.439 2.969 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 97272493 BLRDLIPGPWPNDS-QGZVFWFLSA-N 336.395 2.931 0 50 EFAA COc1cccc(OC)c1C(=O)N1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 426503535 ZSJOVGOIQNXOPH-IYJAJMOOSA-N 349.427 2.502 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 97797622 HZAKYGNHZVSUQR-SFHVURJKSA-N 343.471 2.599 0 50 EFAA O=C(CCC(=O)c1ccc(F)cc1F)N[C@H](C(=O)O)c1ccccc1 237985875 MCSDSXGOTNVGMW-KRWDZBQOSA-N 347.317 2.870 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 95372640 QQYCFBBNSKPXLU-QGZVFWFLSA-N 332.492 2.731 0 50 EFAA Cc1ccc(CN(CCO)C(=O)[C@@H](C)n2ccnc2C(C)C)s1 95530597 NJQWHNNFHPSHRT-CQSZACIVSA-N 335.473 2.959 0 50 EFAA CC(C)n1ccnc1C1CCN([C@@H](C)C(=O)Nc2nncs2)CC1 244828616 TZJQLXUQUFFWSK-LBPRGKRZSA-N 348.476 2.522 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@@](C)(F)C2)n1 297871625 QEGLJDUROLNQIM-MRXNPFEDSA-N 332.383 2.635 0 50 EFAA Cc1nc2c(n1[C@H]1CCN([C@H](C(N)=O)c3ccccc3)C1)CCCC2 299739738 AMFYWZGLMARCLO-LPHOPBHVSA-N 338.455 2.544 0 50 EFAA Cc1nc(-c2ccc(C(=O)N(C)Cc3nccs3)cc2)nn1C 534587266 GAWCAIFWRLFNEM-UHFFFAOYSA-N 327.413 2.519 0 50 EFAA CCOc1ccc([C@H](CC)NC(=O)NC2(C(N)=O)CCCC2)cc1 534639486 UBTOTRIKNJICSG-HNNXBMFYSA-N 333.432 2.634 0 50 EFAA O=C(N[C@@H]1CCNC[C@H]1O)c1cccc(-c2ccc(F)cc2Cl)c1 584890594 DPMGBVFKMLJBER-IAGOWNOFSA-N 348.805 2.599 0 50 EFAA O=C(NCc1cc(C2CC2)on1)N1CCCC[C@@H]1CCn1cccn1 584892818 NFBLRHKKINQVBL-MRXNPFEDSA-N 343.431 2.903 0 50 EFAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2nnc(O)n2c1 670416498 KSFVBKHUJHBQDB-OAHLLOKOSA-N 347.378 2.724 0 50 EFAA CC1(C)[C@H](c2ccccc2F)CCN1S(=O)(=O)CCCC(=O)O 871998960 AKOGBSAXUVATAV-ZDUSSCGKSA-N 343.420 2.588 0 50 EFAA CNC(=O)NC[C@H]1CCCCN1Cc1ncc(-c2ccc(C)cc2)o1 879336134 GGDHJSICISKXNU-MRXNPFEDSA-N 342.443 2.934 0 50 EFAA CCCn1cc(-c2cn(Cc3ccn(Cc4ccccc4)n3)nn2)cn1 1875291430 YPWRMOGWIAMJEF-UHFFFAOYSA-N 347.426 2.845 0 50 EFAA COc1c(C(=O)N2CCC[C@H]2c2nccn2C)cnc2ccccc12 1875293399 OJGKUKKJMGTWPF-INIZCTEOSA-N 336.395 2.954 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1 952981815 WOSNHSZOGBYYEK-UHFFFAOYSA-N 329.381 2.557 0 50 EFAA O=C(Nc1cccc(Cn2ccnc2)c1)N1CC2(CO)CCC1CC2 1875306459 HHKMFMOVRCCCAB-UHFFFAOYSA-N 340.427 2.700 0 50 EFAA CC(C)c1ccc(-n2cc(C3(F)CN(C(=O)[C@@H]4C[C@@H]4F)C3)nn2)cc1 1875353763 FSQJVBSDOQSTDN-CABCVRRESA-N 346.381 2.756 0 50 EFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)N=c1cc[nH]cc1 1875389184 FUNRFDFRMZUFPJ-RBUKOAKNSA-N 345.402 2.515 0 50 EFAA CC1=CC[C@H](NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)CC1 886089132 ZKOURPOVIARGTG-GJYPPUQNSA-N 342.487 2.951 0 50 EFAA O=C(c1c[nH]nc1-c1cccnc1)N1CC[C@H](Cc2nccs2)C1 890222400 AQLIKIIYUPVOQL-GFCCVEGCSA-N 339.424 2.633 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccn2)C1 1776000276 MUDAYDOLXOLPDB-WBTNSWJXSA-N 345.443 2.545 0 50 EFAA Cc1ccccc1NCCC(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O 273910854 UDIDCHKOGIESEM-FUHWJXTLSA-N 344.455 2.784 0 50 EFAA COc1ccsc1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186616711 SQDNZQQOPVUKEU-HNNXBMFYSA-N 345.468 2.936 0 50 EFAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 170606472 SHVBJDSODCFNHI-HLLBOEOZSA-N 340.427 2.859 0 50 EFAA CCN(C)[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 170606551 KUUYYGVEPCQOHC-GFCCVEGCSA-N 336.379 2.511 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)c3cn4ccccc4n3)CC2)c1 280301930 SDSCCHIAXZKJFU-UHFFFAOYSA-N 349.434 2.853 0 50 EFAA C[C@H]1CN(C(=O)NCc2ccccc2Br)CCCO1 171322043 OQDVQXNJLUAKDD-NSHDSACASA-N 327.222 2.770 0 50 EFAA C[C@@H](C(=O)NCC1CCCCC1)N1CC[C@H](CNc2ccccn2)C1 171646421 RAVMZQZKRSUVHT-FUHWJXTLSA-N 344.503 2.900 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc2nccn12 190425342 UBIURKWIQGKPCT-RDJZCZTQSA-N 325.416 2.561 0 50 EFAA C[C@H](CNC(=O)N1CCC(c2ccncc2)CC1)CC1(C)OCCO1 190572059 RSHXXAKIBMEWJS-HNNXBMFYSA-N 347.459 2.760 0 50 EFAA CCn1cc([C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)cn1 190798039 GCUXEWBGXHXHAL-INIZCTEOSA-N 339.399 2.527 0 50 EFAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NC2(c3cccc(F)c3)CCC2)CC1=O 645348325 QLEUVFAVRKXWHK-DAXOMENPSA-N 345.418 2.513 0 50 EFAA Cc1cc2n(C[C@@H](O)Cc3ccccc3)c(=O)c3ccccc3n2n1 193180907 ILACYMJLWWQIMH-INIZCTEOSA-N 333.391 2.561 0 50 EFAA COc1ccc(C2(C(=O)N3CCC(C4(O)CC4)CC3)CCC2)cc1 652665466 DMIGJJJSKUYEOM-UHFFFAOYSA-N 329.440 2.880 0 50 EFAA COc1ccc(-c2nccn2-c2ccc3c(c2)nnn3C)cc1C(=O)O 1775981620 MNGDOCFNUUFPED-UHFFFAOYSA-N 349.350 2.528 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 1772708214 GAYCVYQTSLJKIT-MWLCHTKSSA-N 325.771 2.706 0 50 EFAA O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCC(c2ccnc(O)c2)CC1 1772807541 YSFJRPNPQHAZBK-QZTJIDSGSA-N 343.471 2.758 0 50 EFAA O=C1C[C@H](NCc2ccncc2)CN1CCc1cccc(Cl)c1 12304069 OIBBFECEAKNHFV-KRWDZBQOSA-N 329.831 2.668 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)nc2)no1 19642920 XUMLMNQLCFHRIH-CYBMUJFWSA-N 343.431 2.754 0 50 EFAA Cc1noc(C)c1CN1CCC(n2cc(-c3ccccn3)nn2)CC1 19812839 LYCQOESWZMZREZ-UHFFFAOYSA-N 338.415 2.782 0 50 EFAA O=C(O)c1cc2c(s1)CCOC21CCN(c2nccs2)CC1 1857688266 ZNFXCFQAUXENPC-UHFFFAOYSA-N 336.438 2.971 0 50 EFAA CN(C)CCC1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 112924572 RELBWQLNRRCLLD-UHFFFAOYSA-N 326.444 2.676 0 50 EFAA FC(F)(F)c1cn2c(n1)CC[C@H](CNCc1cnn3ccccc13)C2 328632035 LDJUYLUVBPTIAZ-GFCCVEGCSA-N 349.360 2.902 0 50 EFAA OCC1(NCC2CC2)CCN(Cc2c(F)cccc2Cl)CC1 328600715 ZEIOLYNLNWKDAH-UHFFFAOYSA-N 326.843 2.806 0 50 EFAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 126898456 ZFMWDYLAABRXQJ-SJORKVTESA-N 338.407 2.676 0 50 EFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1cc(C2CC2)[nH]n1 238154379 KSYSVQDTLPTBQC-UHFFFAOYSA-N 349.337 2.682 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)cn1 241657599 PXPFLDIVWQEDMP-KKXDTOCCSA-N 327.403 2.754 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N2CC(C)(CO)C2)c1C(C)C 456251853 OSYDHQWDNCFZLK-UHFFFAOYSA-N 327.428 2.759 0 50 EFAA CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1 252494147 NMFMDNWHTCCTBR-UKRRQHHQSA-N 349.500 2.710 0 50 EFAA O=C(NC1(CCO)CCOCC1)c1ccc2c(c1)Cc1ccccc1-2 154769740 UNAFPXAQJZAIBA-UHFFFAOYSA-N 337.419 2.919 0 50 EFAA Cc1cc(C)c2ncc(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)c(O)c2c1 164460965 NJRDXHTZUPQIMH-STQMWFEESA-N 326.396 2.685 0 50 EFAA CCc1nc(OC)ccc1NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 933939796 LKFBOPRMHBMEDB-GFCCVEGCSA-N 349.822 2.981 0 50 EFAA CC1(C)Cc2n[nH]cc2CN(C(=O)C[C@H]2CCC(F)(F)CO2)C1 2325792719 HUGDXFBGURTLNR-GFCCVEGCSA-N 327.375 2.525 0 50 EFAA CN(Cc1cccc2cccnc12)C(=O)c1cnn([C@H]2CCCNC2)c1 2325840793 QHUYIQYCAQXSFD-SFHVURJKSA-N 349.438 2.628 0 50 EFAA COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC(C)=O 400428 PPNOUWPKULDUKV-UHFFFAOYSA-N 327.340 2.616 0 50 EFAA O=S(=O)(NC(=S)NC1CCCCC1)c1ccc(Cl)s1 2861247 HXPXETDBVRYFAH-UHFFFAOYSA-N 338.907 2.887 0 50 EFAA COC(=O)CNc1ccc(Oc2ccc(NCC(=O)OC)cc2)cc1 3107244 OYRUUVCPBNDRKM-UHFFFAOYSA-N 344.367 2.649 0 50 EFAA O=C(Cn1cnc2ccccc21)Nc1ccc(N2CCOCC2)cc1 6316024 RNRULRPBCUIIPW-UHFFFAOYSA-N 336.395 2.512 0 50 EFAA CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 10444967 VWLUVMNSBZWQGE-KRWDZBQOSA-N 341.363 2.950 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)nc1 225681992 MXHHJHDTKWRSGY-CRAIPNDOSA-N 344.386 2.956 0 50 EFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 225741971 RGZAGULTKCBAEZ-GJZGRUSLSA-N 332.444 2.575 0 50 EFAA Cc1cc(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc(=O)[nH]1 55358047 JXBPCWBEZPEAFT-KRWDZBQOSA-N 344.386 2.644 0 50 EFAA C[C@H](NC(=O)N(CCO)[C@H]1CCCc2ccccc21)[C@H]1CCCO1 247130119 SGAPHQAGJDKHCF-JCGIZDLHSA-N 332.444 2.635 0 50 EFAA Cc1cnc(NCCCc2c(C)noc2C)nc1-c1cnn(C)c1 23153654 RCESYACALOGKEF-UHFFFAOYSA-N 326.404 2.835 0 50 EFAA Cc1cccc(O[C@H](C)CNC(=O)c2cnn(-c3cccnc3)c2)c1 346048574 ARLVFWJSAPGLES-OAHLLOKOSA-N 336.395 2.773 0 50 EFAA Cc1nonc1CN(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67822121 DUWWUAQWPUZFFP-UHFFFAOYSA-N 334.383 2.720 0 50 EFAA Cc1csc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 67727425 JOUGYVBQBFTREM-UONOGXRCSA-N 332.425 2.531 0 50 EFAA O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 69403576 VEEDKZZBZHUIJE-UHFFFAOYSA-N 345.830 2.600 0 50 EFAA CC(C)c1nc([C@@H]2CCCN2C[C@@H](O)COCc2ccco2)no1 229297973 SLZLPKNETKIIFG-HIFRSBDPSA-N 335.404 2.501 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)C1 229756924 NXKYOLIXMJVIPA-NFAWXSAZSA-N 326.462 2.812 0 50 EFAA Cc1cccc2[nH]c(CCNC(=O)c3cc(=O)c4ccccc4o3)nc12 67714685 YFXLEDIWZAEMKU-UHFFFAOYSA-N 347.374 2.950 0 50 EFAA CN1CCC[C@H]2CN(CC(=O)Nc3ccc(F)c(Cl)c3)CC[C@H]21 230104756 SNLPNWTWDGSHNX-BLLLJJGKSA-N 339.842 2.834 0 50 EFAA Cc1cc(CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)s1 252443180 PLZHYDSXJHIKIK-JKSUJKDBSA-N 343.514 2.533 0 50 EFAA CSc1ncc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cn1 219236434 ISGCHQQXRQROGA-UHFFFAOYSA-N 341.396 2.521 0 50 EFAA CC(C)N1C[C@@]2(CCCN(Cc3nnc(C4CC4)o3)C2)CCC1=O 77319104 HMOBYFSIGQMHLI-SFHVURJKSA-N 332.448 2.560 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)c3ccc(OC)o3)C2)CCC1=O 77287355 YCEAVSNIWQZYBU-IBGZPJMESA-N 348.443 2.933 0 50 EFAA CC(C)c1cc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)no1 77284688 YNFMRRNYIPGGOT-KRWDZBQOSA-N 329.400 2.779 0 50 EFAA Cc1c([C@H](C)NC(=O)N2CCC(Cc3cccnc3)CC2)cnn1C 253417888 HOSFMTUMNFWEEO-AWEZNQCLSA-N 341.459 2.849 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)C[C@@H](C)N1 153964014 YYBPASJOFAEZKV-VXGBXAGGSA-N 330.350 2.727 0 50 EFAA Cc1nc(N2CCN(C(=O)CCc3ccccc3O)CC2)sc1C 126408348 XOUCTMSSILOZQL-UHFFFAOYSA-N 345.468 2.747 0 50 EFAA CCC1(CC)CN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CCO1 72481572 PJHGAGQIWWKGKO-UHFFFAOYSA-N 342.399 2.632 0 50 EFAA COCc1ncsc1C(=O)N1CCC[C@@H]1CNc1cccc(C)n1 366954238 WJWUEYKQCWOITL-CYBMUJFWSA-N 346.456 2.710 0 50 EFAA CCOC(=O)Cc1nnc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)s1 155956798 CRYUYSLIJYCDLD-WDEREUQCSA-N 340.449 2.686 0 50 EFAA C[C@H](CCO)CNC(=O)N[C@H]1C[C@H]1c1ccccc1Br 240886194 INQLDPPYTPUCQX-OSMZGAPFSA-N 341.249 2.623 0 50 EFAA O=C(c1cccc(CO)c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 368302981 AQQUSDRJSFULFZ-KRWDZBQOSA-N 339.439 2.732 0 50 EFAA C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3ccc(F)cc32)c2nccn21 333235094 OZHFSLICYDLQRH-SWHYSGLUSA-N 330.363 2.851 0 50 EFAA COC(=O)[C@H](Cc1c[nH]c2ccc(OC)cc12)NC(=O)OC(C)(C)C 42684294 TZTNFPWKYFSEAE-HNNXBMFYSA-N 348.399 2.785 0 50 EFAA in-vitro Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)c2C)no1 237500061 HRYQCEAVQBBMBF-DZGCQCFKSA-N 330.432 2.590 0 50 EFAA COc1cccc([C@@H]2CCCN2CC(=O)NCc2ccccn2)c1 72129054 DMSSHPMPDPYAMN-SFHVURJKSA-N 325.412 2.544 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 77377968 XYQKVLVOUDMZQT-QGZVFWFLSA-N 340.423 2.950 0 50 EFAA Clc1ccc(CN2CCC[C@H]2c2ncc[nH]2)c(-n2cncn2)c1 376023227 WTTFZDPTEPHIAL-AWEZNQCLSA-N 328.807 2.981 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1cccs1 238150212 IDPIDGQATIIEQY-QWHCGFSZSA-N 331.393 2.946 0 50 EFAA CSc1ccc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 72407424 GXBHNEXKNAHTEZ-HNNXBMFYSA-N 348.512 2.981 0 50 EFAA CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C2OCCO2)CC1 175008828 JCEWADSVOPCYIF-LSDHHAIUSA-N 342.505 2.845 0 50 EFAA CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)O 136706961 ALCSQSVVHTYNRZ-INIZCTEOSA-N 329.352 2.657 0 50 EFAA CSc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1Cl 284770272 UNRNJPODPJAHLO-SECBINFHSA-N 327.837 2.791 0 50 EFAA CCc1nnc(CN(C)C(=O)[C@H]2CCCCN2Cc2ccccc2)o1 220498996 FSFHJSPGFUABPD-MRXNPFEDSA-N 342.443 2.645 0 50 EFAA CCc1cc(CSc2nnc(CN)n2-c2ccc(F)cc2)on1 426690281 KRMTUQLXWOGFGW-UHFFFAOYSA-N 333.392 2.708 0 50 EFAA O=C(CN1CCSC1=O)N1CCC(c2ccc(F)c(F)c2)CC1 264290294 VVJWRJGQMOXWRJ-UHFFFAOYSA-N 340.395 2.840 0 50 EFAA CCCS(=O)(=O)CC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 265422061 OGUHTVRVIBGRKX-BBRMVZONSA-N 341.498 2.516 0 50 EFAA c1ccc2c(c1)CC[C@@H](n1ccnc1)[C@@H]2NCc1cnc2cnccn12 290331603 DUGXWABZVBSQSI-UYAOXDASSA-N 344.422 2.944 0 50 EFAA Cc1cc(C(F)(F)F)nc(SCC(=O)NCc2ccco2)n1 220966811 TZCDFEUAEFQJFD-UHFFFAOYSA-N 331.319 2.805 0 50 EFAA CC(C)Cc1nc(CN(C)C(=O)c2ccc3c(c2)CCCO3)no1 426690278 KFNKRGUAAPVDNJ-UHFFFAOYSA-N 329.400 2.865 0 50 EFAA O=C(C1CC1)N1CCC[C@H](CNc2ccnc(C(F)(F)F)n2)C1 91872864 CUMDWIFHMPGBMA-SNVBAGLBSA-N 328.338 2.556 0 50 EFAA O=C(O)[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(F)c1 95530755 WTUBIBSSRQZBLC-OAHLLOKOSA-N 331.318 2.939 0 50 EFAA CN1CCN([C@@H]2CCN(Cc3ccc4cccc(Cl)c4n3)C2)CC1 97474970 NBHJFVPVESZZTI-QGZVFWFLSA-N 344.890 2.710 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc2nccn2c1 91950803 HCYVTKQDFLXXLT-UHFFFAOYSA-N 327.388 2.578 0 50 EFAA COCCOc1ccccc1NC(=O)N[C@H](C)Cc1cccnc1 96163767 OCWXMKYMCIYZAA-CQSZACIVSA-N 329.400 2.860 0 50 EFAA Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@H](N)C3)cc2)cs1 237743242 SXFNIJWKYSJAIM-SZTZYQKNSA-N 343.452 2.603 0 50 EFAA Cn1c(-c2nc3c([nH]2)CCCNC3=O)nc2cc(C(F)(F)F)ccc21 95379788 FMOBNAHOWRBJCY-UHFFFAOYSA-N 349.316 2.658 0 50 EFAA C[C@@H](c1ccc(C(=O)NCCCn2ccnc2)o1)N1CCCCC1 97642204 OXFCJHYLPXJGNP-HNNXBMFYSA-N 330.432 2.843 0 50 EFAA Cc1cc(C)c2c(NCCc3nc(C)c4c(n3)CCC4)ncnc2n1 95357599 PCKDOKUIPHSFKS-UHFFFAOYSA-N 334.427 2.883 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Nc3cnns3)C2)c1 96138410 GUVVVIYUCPJWNN-SNVBAGLBSA-N 334.401 2.577 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCCCN3C)cc2)no1 95390453 WXXSLPXPOZSVQF-MRXNPFEDSA-N 328.416 2.536 0 50 EFAA CC[C@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CCN1C(C)C 91656529 HERNTXOHNNOYNO-LBPRGKRZSA-N 326.387 2.918 0 50 EFAA O=C(c1cccn1C1CCCC1)N1CCC[C@H](CN2CCOCC2)C1 181805472 RVFLLJRYRAGQSY-QGZVFWFLSA-N 345.487 2.788 0 50 EFAA Cc1cc(C)n(CCCC(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)n1 244735052 NSGOOIRSOXFHGM-DAYGRLMNSA-N 347.484 2.970 0 50 EFAA CC(=O)N1CCCN(CCC(=O)Nc2ccc(C)c(Cl)c2)CC1 244723649 MFAMVRPIOJRURC-UHFFFAOYSA-N 337.851 2.531 0 50 EFAA Cn1ncc2ncc(C(=O)N3CCOc4ccc(Cl)cc4C3)cc21 1940194645 BDTRWUNTKMJSTK-UHFFFAOYSA-N 342.786 2.657 0 50 EFAA COc1cc(NC(=O)N2CCCN(c3ncccn3)CC2)ccc1C 299772741 BUKOEBPOLRMOOM-UHFFFAOYSA-N 341.415 2.538 0 50 EFAA O=C(CCCc1cn[nH]c1)NC1CCN(c2ccc(F)cc2)CC1 299787192 VMBMBMCEPXRKNS-UHFFFAOYSA-N 330.407 2.657 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)Cc2csc(C)n2)c1 824313368 MCIWGKAGXFMYJY-UHFFFAOYSA-N 333.413 2.526 0 50 EFAA COCCc1nc(Cc2ccc(OC)c(OC)c2)n(C(C)(C)C)n1 670438319 MMNRAAKBFJHTGP-UHFFFAOYSA-N 333.432 2.830 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)[C@H]2C)o1 952852739 PNFLNRXSXDFUBU-WFASDCNBSA-N 347.390 2.945 0 50 EFAA CCc1c(C)nc2ncnn2c1NCc1cncc(Br)c1 1875287956 HMTPQQXHYNFYIT-UHFFFAOYSA-N 347.220 2.765 0 50 EFAA C[C@@]1(NC(=O)c2csc(Cc3ccc(F)cc3)n2)CCC[C@H]1O 1875320003 CFGPKQGIQWVQOD-RHSMWYFYSA-N 334.416 2.906 0 50 EFAA CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@H](C(=O)O)OCC2(C)C)c1 1875354260 SGOBFBMBVMXZIG-XJKSGUPXSA-N 349.427 2.668 0 50 EFAA OC[C@H]1CCCCN1CCNCc1nc(-c2ccccc2)cs1 952969345 SRYZLKPILUGBEW-MRXNPFEDSA-N 331.485 2.747 0 50 EFAA Cc1ccn2cc(C(=O)N3CCc4[nH]nc(C(F)F)c4C3)nc2c1 1775986483 MHMFUPSVHNXALS-UHFFFAOYSA-N 331.326 2.502 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)N1CC2(CCC2)[C@@H]1c1cccnc1 898414250 KDRLWIBAYLTRFX-IBGZPJMESA-N 336.439 2.980 0 50 EFAA Cc1nn2c(CN[C@@H]3CCO[C@]4(CCSC4)C3)c(C)nc2s1 271243464 VDYPDFLRBYNRHK-IUODEOHRSA-N 338.502 2.552 0 50 EFAA COc1ccc([C@@H](O)CNC(=O)c2c[nH]nc2-c2ccccc2)cc1 303050561 PUDBULXCWVSACP-KRWDZBQOSA-N 337.379 2.549 0 50 EFAA COCCOc1ccc(CC(=O)NCc2noc3ccccc23)cc1 408522366 IAJQGTXWNDEFMP-UHFFFAOYSA-N 340.379 2.712 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CCC[C@H]1c1cn[nH]c1 408522657 LGUFQBWMUDQOFW-HNNXBMFYSA-N 339.424 2.834 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)c2cccs2)o1 275492712 WGARMPUJJHXLOB-NWDGAFQWSA-N 335.429 2.958 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C(=O)O)c2ccccc2F)c1C 170066755 RTANLUDHPYZBNI-OAHLLOKOSA-N 332.331 2.529 0 50 EFAA CCc1cc(C(=O)NCc2ccccc2CN2CCCC2)n(C)n1 635144456 UWFAKTBSWPZBJM-UHFFFAOYSA-N 326.444 2.508 0 50 EFAA CC[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1nc(C)cs1 729444605 AZENRMRAWMTELH-HNNXBMFYSA-N 341.440 2.842 0 50 EFAA CCS(=O)(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 189490658 INBISUKJAYPWHX-WFASDCNBSA-N 331.865 2.537 0 50 EFAA O=C(NCCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccs1 194100342 BPUXOVCMBKXRKQ-FVQBIDKESA-N 334.485 2.805 0 50 EFAA Cc1csc(N(C)C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)n1 194660932 TVPLDXUHYXEGPT-STQMWFEESA-N 346.456 2.737 0 50 EFAA Cc1ccc(CS(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)c(F)c1 194619155 ZVEDTIWHHGRXCO-UHFFFAOYSA-N 346.387 2.861 0 50 EFAA CO[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2-n2cccn2)CC[C@@H]1C 195573852 JRXRVEOOWUMUAJ-HDMKZQKVSA-N 342.443 3.000 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2C)c1 782495245 MMMYJAYSXFJGHY-UHFFFAOYSA-N 345.424 2.634 0 50 EFAA COCCn1cncc1CN(Cc1c(C)nn(C)c1C)CC(C)C 1506396533 JMERLCMPWIJVHX-UHFFFAOYSA-N 333.480 2.538 0 50 EFAA COc1cc(OC)cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1529179893 GDHPIEBHMQTPDX-MDBPOYHNSA-N 346.471 2.895 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)N(CCO)Cc2[nH]cnc2C)cc1 1704335540 OLEKSBZPNIKBOJ-CQSZACIVSA-N 333.457 2.528 0 50 EFAA Cc1cc(C)cc(CCC(=O)N(CCN(C)C)Cc2cnc[nH]2)c1 1704314295 XPGSSQNZSAIELE-UHFFFAOYSA-N 328.460 2.550 0 50 EFAA C[C@@H]1CCc2c(sc3ncn(CC(=O)NC4CCCC4)c(=O)c23)C1 5610334 UVVRHWVRWPDLRC-LLVKDONJSA-N 345.468 2.642 0 50 EFAA CCn1ccnc1CN1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1 12434395 TZRSSOAPIQOJAZ-IBGZPJMESA-N 332.492 2.764 0 50 EFAA CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O 12702612 BGSMDKVTZZERLF-IBGZPJMESA-N 336.451 2.657 0 50 EFAA Cc1ccccc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 16604522 QPMKSUAWWJGPAX-UHFFFAOYSA-N 328.387 2.862 0 50 EFAA COc1ccc2c(ccn2CCC(=O)N[C@H](CC(C)C)C(=O)O)c1 207891543 NAGAJTRNGMPAGM-OAHLLOKOSA-N 332.400 2.656 0 50 EFAA CC(=O)NC1CCC(NC(=O)c2n[nH]c(-c3ccccc3)c2C)CC1 1857527767 ZJGFDXGDVNEXQT-UHFFFAOYSA-N 340.427 2.562 0 50 EFAA Cn1c(=O)c(-c2nccn2C[C@@H]2C[C@@H]3CC[C@H]2O3)cc2ccccc21 1857706933 BYRRFTCOABSLEP-RLFYNMQTSA-N 335.407 2.970 0 50 EFAA COc1ccnc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1 1857709195 KIMOGXALISJFPC-UHFFFAOYSA-N 348.406 2.721 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2Cl)C2CC2)CC[C@H]1N 1857741440 SPLMRTUCIMLHBO-JCURWCKSSA-N 336.863 2.973 0 50 EFAA CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)NC1 225499614 QWDSQKKZDZMHAH-GFCCVEGCSA-N 342.361 2.669 0 50 EFAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(C)(C)C)cn2)C1 421877622 TTXSZORXTKLFFM-KRWDZBQOSA-N 345.487 2.562 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cnn(C(C)C)c2C)c1 331580658 LAIAEYRWXIAWAO-CRAIPNDOSA-N 343.427 2.729 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 331865067 XOHWGDRYDGMDHL-JTQLQIEISA-N 336.779 2.634 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 237416781 JELKKVNCXXMFPM-JQWIXIFHSA-N 343.240 2.717 0 50 EFAA Cc1csc(CNC(=O)Cc2csc(NC(=O)C(C)C)n2)c1 452743815 LDWSQVYSYSRHPU-UHFFFAOYSA-N 337.470 2.966 0 50 EFAA C[C@@H]1C[C@H](C(=O)Nc2cccc(Cl)c2OC(F)F)O[C@H]1C(=O)O 1875277563 QRYGHXKKIVDAMK-BDODKLCJSA-N 349.717 2.758 0 50 EFAA COc1cc(C(=O)N2CCC(c3cnn(C)c3)CC2)cc(Cl)c1O 135128128 LTLVOJFIWJKAJR-UHFFFAOYSA-N 349.818 2.808 0 50 EFAA CN1C[C@@H](C(=O)Nc2cc(F)c(Br)cc2Cl)CC1=O 252492275 MHDFKABHVMMMLU-LURJTMIESA-N 349.587 2.658 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccncc2C(F)(F)F)C1 263459526 VJSFHNBRMMXIEX-JTQLQIEISA-N 330.306 2.817 0 50 EFAA CC[C@@H](C(=O)O)C(=O)N(C)Cc1cc(OC)ccc1Br 909920179 CVYFKGFGVSFNMK-LLVKDONJSA-N 344.205 2.527 0 50 EFAA Cc1ccnn1CC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 858514111 SKEZCIJZDQZSSH-MRXNPFEDSA-N 340.471 2.740 0 50 EFAA CC(=O)[C@@H](Sc1nn(C)c(=S)s1)C(=O)Nc1ccccc1 526237 DXMRZRZCCWGTLC-SNVBAGLBSA-N 339.467 2.899 0 50 EFAA O=C1CCC[C@@H](Sc2nnnn2[C@H]2CCOC2)c2ccccc21 2325772726 VWGFMHADMQNZST-XHDPSFHLSA-N 330.413 2.835 0 50 EFAA C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccccc12 2325796543 XGVOUXPBANOXAM-CQSZACIVSA-N 337.427 2.645 0 50 EFAA Cc1ccc(C[C@H](N)CC(=O)Nc2cnn3ccc(C)nc23)c(C)c1 2325817447 WGZDMNAHIKAQAM-INIZCTEOSA-N 337.427 2.553 0 50 EFAA Cc1ccc(C(N)=O)cc1C(=O)NCc1nc(-c2ccccc2)oc1C 2325864494 QEWUNCFCRMASAB-UHFFFAOYSA-N 349.390 2.987 0 50 EFAA CC(=O)NCC[C@H]1CCCN(c2nccn3nc(C(C)(C)C)cc23)C1 893868631 YHBIDOSAFLJNEW-OAHLLOKOSA-N 343.475 2.769 0 50 EFAA COc1ccc(-c2csc3ncn([C@H](C)C(=O)O)c(=O)c23)cc1 65098 MOUVQUVXJSMHBE-SECBINFHSA-N 330.365 2.779 0 50 EFAA COc1cccc([C@@H]2C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1 222431 ASRBMUQEZSXELU-HOTGVXAUSA-N 325.347 2.967 0 50 EFAA CC(C)(C)NC(=O)COc1ccc(CNCc2cccnc2)cc1 360048 KVMCOGFNHZVKRV-UHFFFAOYSA-N 327.428 2.665 0 50 EFAA O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)NC1CCCCC1 3005219 PCUOQDCXKJMJRP-UHFFFAOYSA-N 335.375 2.781 0 50 EFAA O=C(O)COc1ccccc1CN1CC[C@H](c2ccccc2)[C@H](O)C1 2356151676 TUUHKPUQIBEWFE-QZTJIDSGSA-N 341.407 2.500 0 50 EFAA NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 3913855 JPJNKFMKLOIFFQ-UHFFFAOYSA-N 333.185 2.577 0 50 EFAA CCOCCc1nnc(NC(=O)c2ccc(NC(=O)CC)cc2)s1 4740632 QPDXTUCDWRQLDR-UHFFFAOYSA-N 348.428 2.718 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 4749886 IXDMNTOZRYSPQU-LLVKDONJSA-N 327.336 2.678 0 50 EFAA CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 4866456 RPRQVQKTIRTDPO-UHFFFAOYSA-N 345.786 2.553 0 50 EFAA O=S(=O)(Nc1ccn2ccnc2c1)c1cc(F)cc(Cl)c1 225392447 NSPYCFQOYVWUPW-UHFFFAOYSA-N 325.752 2.928 0 50 EFAA CCOCc1ccccc1CNC(=O)Nc1ccc2nc(C)nn2c1 225522763 VFOLXMGHGIGORW-UHFFFAOYSA-N 339.399 2.896 0 50 EFAA CC[C@@H](CO)N(Cc1ccc(-c2nnn[nH]2)cc1)Cc1cccs1 55132892 YFXDWOZMPRNUPN-HNNXBMFYSA-N 343.456 2.701 0 50 EFAA CS[C@@H]1CCCCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 246873386 QDPHXVFQBZTZLY-ZIAGYGMSSA-N 347.484 2.578 0 50 EFAA O=C(COc1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)cc1)N1CCCCC1 102826809 NUSCOTZTTNZCFN-RDJZCZTQSA-N 342.439 2.702 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)c3c(C)nc4sccn34)CC2)n1 65410848 GCDZAWNQWNSFKA-UHFFFAOYSA-N 343.456 2.728 0 50 EFAA Cc1cccc(C(=O)Nc2cccc(NC(=O)[C@H]3COCCO3)c2)c1 55413595 VYHIUSHRZWEMJJ-QGZVFWFLSA-N 340.379 2.601 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 348259637 MFEDTLQPKKGHGZ-DIFFPNOSSA-N 343.333 2.789 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1F)NCCC[C@H]1CCOC1 1506424528 CUDDXJGCMIEWJF-NSHDSACASA-N 335.828 2.715 0 50 EFAA Cc1cccc2c1O[C@@H](c1nc(C3(S(C)(=O)=O)CCCC3)no1)C2 351204298 RMAMSMLKBIUHMQ-CYBMUJFWSA-N 348.424 2.868 0 50 EFAA NC(=O)c1ccc(CN2CCN(c3cncc4ccccc34)CC2)cc1 351616438 AFXNSTGXFWSMJU-UHFFFAOYSA-N 346.434 2.656 0 50 EFAA O=C(Cc1ccc2c(c1)OCC2)NC[C@@H]1CCCN2CCCC[C@@H]12 170613660 YTQCPXRATSNDFS-ROUUACIJSA-N 328.456 2.545 0 50 EFAA 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CCOc1cccc([C@H](C)NC(=O)c2cc(Cn3cccn3)on2)c1 292285821 YHYRRIWBJATDDV-ZDUSSCGKSA-N 340.383 2.809 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccsc2)C1 91643503 LFAUUZAKRHZVEA-QGZVFWFLSA-N 339.457 2.801 0 50 EFAA Cc1cc(C)c2c(NC[C@H](O)COC3CCCCC3)ncnc2n1 95361935 UKEZMWWBGIEBKB-AWEZNQCLSA-N 330.432 2.764 0 50 EFAA COc1ccc(Cl)cc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1 426705632 GYYPDCMTYBBIJN-LLVKDONJSA-N 348.834 2.861 0 50 EFAA CCC[C@H]1CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C[C@@H]1N 92064784 ADLKERQWGDMGDB-OALUTQOASA-N 340.471 2.748 0 50 EFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3sc(C)nc3c1)CC2 91425176 FXWSAHADGQBVJY-CVEARBPZSA-N 346.452 2.607 0 50 EFAA CC(=O)c1cnc(NCCc2csc(-c3cnccn3)n2)nc1C 95359654 TZDZQCUPBSDWNZ-UHFFFAOYSA-N 340.412 2.556 0 50 EFAA CN(CCn1cccn1)C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 97743398 YDUOFVQEQBAXML-UHFFFAOYSA-N 337.305 2.550 0 50 EFAA CCc1cccc(OC2CN(c3cc(C(=O)NC4CC4)ccn3)C2)c1 96166767 PBGVOJMSKSSVKZ-UHFFFAOYSA-N 337.423 2.804 0 50 EFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)CSc2ccccn2)s1 23153390 AWINKAUMNDWDSG-LLVKDONJSA-N 347.465 2.698 0 50 EFAA CN(C)c1nc(NCCc2nccc(-c3ccccc3)n2)ncc1F 95386524 DTIVCHVTBHWTIC-UHFFFAOYSA-N 338.390 2.793 0 50 EFAA CN1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 95527221 DMHMEDVLSCHIJQ-UHFFFAOYSA-N 347.850 2.754 0 50 EFAA O=C(NC1CCOCC1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 180673878 AYKXLXFXSKEUGV-LBPRGKRZSA-N 341.814 2.536 0 50 EFAA COc1cc(CN2CCC([C@H](O)c3nccn3C)CC2)ccc1F 93455062 SVNFXQPZWCSYLH-KRWDZBQOSA-N 333.407 2.513 0 50 EFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 180703875 PERNCYGOTUUFFR-QYZOEREBSA-N 346.471 2.652 0 50 EFAA COCc1cc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)n[nH]1 96148208 JMKFRIKNYFLKGO-UHFFFAOYSA-N 340.383 2.792 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](n1c(=O)n3n(c1=O)[C@H]1C=C[C@H]3[C@H]3CC[C@H]31)C2 248339536 SZQFFWZDORMEKT-YCAVWGKSSA-N 341.455 2.891 0 50 EFAA N[C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3CCCc4ccccc43)nn2)CC1 243902125 BGINCUAXEZRLGO-UXLLHSPISA-N 339.443 2.528 0 50 EFAA CCCn1cnnc1[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CC1 252484411 FVOXXUONDSUTGN-ZDUSSCGKSA-N 328.416 2.606 0 50 EFAA Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(c4ccccn4)C3)[nH]c2c1 369886741 GTIAMRSXNUHNJJ-OAHLLOKOSA-N 349.438 2.799 0 50 EFAA Cc1ccc(C(=O)NCCc2ccccc2Cl)cc1OCCN 299758642 KHFKMRCUJOIYCX-UHFFFAOYSA-N 332.831 2.958 0 50 EFAA O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2ccccc2c(=O)s1 828147326 POIGHTRSWNBOPG-UHFFFAOYSA-N 338.348 2.892 0 50 EFAA N[C@@H]1CCN(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 826951603 GAHPHDMUYUQDFN-YMAMQOFZSA-N 341.459 2.579 0 50 EFAA CC(C)(C)CC(=O)N[C@@]1(C(=O)O)CCCN(Cc2ccccc2)C1 952845725 LDXYDTVRIZEPSC-IBGZPJMESA-N 332.444 2.658 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCCN2c2ccccc2)oc1C(=O)O 1875277202 DLLDUAFGNMQOQU-CQSZACIVSA-N 328.368 2.685 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)N(Cc1ccccc1)C[C@@H](C)O 1875277194 CYKGJTCQYYCLFV-CQSZACIVSA-N 327.380 2.716 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3cccc(F)c3F)n[nH]c21 1875297464 ROMSXPAWGPPNIC-ZJUUUORDSA-N 335.354 2.982 0 50 EFAA C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]3CN(c4ncncc4Cl)C[C@@H]3C2)C1 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336.399 2.696 0 50 EFAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1C1(O)CC1 1772819842 VMHLTFVVBAACIW-HNNXBMFYSA-N 328.437 2.863 0 50 EFAA O=C(NCCc1ccco1)c1cc(Cn2ccc3ccccc32)[nH]n1 12306015 NILVYLVOPZMWQI-UHFFFAOYSA-N 334.379 2.978 0 50 EFAA O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 18223104 XBEWRZWPPTUION-IBGZPJMESA-N 347.418 2.628 0 50 EFAA Cc1ccc(COc2cccc(CNCCN3CCOCC3)c2)cc1 19872409 NWNZWNUCYRYQFU-UHFFFAOYSA-N 340.467 2.996 0 50 EFAA c1ccc(-c2nc([C@H]3CCn4nccc4C3)n(-c3ccccn3)n2)nc1 1857676251 MPTLGPAODIMIHQ-AWEZNQCLSA-N 343.394 2.651 0 50 EFAA OCC1(Cn2ccnc2-c2ccnn2-c2ccccc2)CCOCC1 1857678967 OEISIKDYUNNECS-UHFFFAOYSA-N 338.411 2.525 0 50 EFAA Cc1cccc2cc(-c3nccn3[C@@H](C)c3nncn3C)c(O)nc12 1857692906 ZJWNZMAOGDTQKH-LBPRGKRZSA-N 334.383 2.850 0 50 EFAA CCCCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)o3)C[C@]23CC[C@H]1O3 1857714877 QRRZYWYPSRLMDT-JRBPQWBISA-N 346.471 2.874 0 50 EFAA Cc1c(Cl)cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1Cl 1857739442 JZMNCRBBFAAFJA-XDTLVQLUSA-N 343.254 2.893 0 50 EFAA 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CCc1n[nH]c(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c1C 253606845 AOEDXCPQBTXWSF-CABCVRRESA-N 341.411 2.529 0 50 EFAA CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)ccc1F 900761547 IVZKEHRVTOFBHA-HUUCEWRRSA-N 335.354 2.831 0 50 EFAA CN(C)c1nnc(SCC2(O)C3CC4CC(C3)CC2C4)s1 904220937 GZUKYMAELDLNFK-UHFFFAOYSA-N 325.503 2.883 0 50 EFAA Cc1nc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cs1 1704300145 YQBZCHAELVZLFM-GOSISDBHSA-N 343.500 2.788 0 50 EFAA COc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1Cl 1704327367 BZWYLXFAQDTMQR-QZTJIDSGSA-N 338.879 2.627 0 50 EFAA Cc1cc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)oc1C 1704353957 QCUQITCRBAUZIO-ICSRJNTNSA-N 343.423 2.777 0 50 EFAA CN(C(=O)CN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)C1CC1 363689268 GSLFVFQEIORKDJ-OAQYLSRUSA-N 341.499 2.595 0 50 EFAA CC(C)(C)c1nnc2ccc(C(=O)N[C@]3(CO)CCCC3(C)C)cn12 2325770106 DFTSVJJEOYVLSW-IBGZPJMESA-N 344.459 2.698 0 50 EFAA OC1(C2(O)CC(NCc3cccc(Oc4ccccn4)c3)C2)CCC1 2325797424 SKXAQPRZUZFBLH-UHFFFAOYSA-N 340.423 2.772 0 50 EFAA 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Cc1ncsc1CN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CCNC1 328629822 IRJGIIXBBNASGF-OAHLLOKOSA-N 341.484 2.940 0 50 EFAA O=C(O)c1[nH]nc(-c2ccc(F)cc2)c1I 216628262 GGVISPZVMFVQSE-UHFFFAOYSA-N 332.072 2.519 0 50 EFAA O=C(c1ccccc1Br)N1N=CC[C@]1(O)C(F)(F)F 6829293 WPTFCTSUFWKECH-JTQLQIEISA-N 337.095 2.532 0 50 EFAA COc1ccc2cc([C@@H]3CN(C(=O)c4cccnn4)CCO3)ccc2c1 71751188 LNSGQSUSIZGQOY-IBGZPJMESA-N 349.390 2.852 0 50 EFAA CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@H](n2cncn2)C1 363769364 PXTQYKCVYYLCQE-IRXDYDNUSA-N 345.422 2.641 0 50 EFAA O=C(N[C@H](c1nccs1)C(F)(F)F)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 331763638 CRSSUKLTEGUQMC-XWLWVQCSSA-N 349.378 2.549 0 50 EFAA CCS[C@@H](C)C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 77287796 GKZBWINBFMMGPM-HNNXBMFYSA-N 334.485 2.616 0 50 EFAA CS(=O)(=O)NCCSc1nnc(-c2cccc3ccccc23)o1 126925746 DUXRULXVVBQYCK-UHFFFAOYSA-N 349.437 2.531 0 50 EFAA COc1ccc2oc([C@H](C)NC(=O)C3(CN)CCOCC3)c(C)c2c1 261857207 BTYIMSWFYJQJIW-ZDUSSCGKSA-N 346.427 2.683 0 50 EFAA NCc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2Cl)cc1 261972076 NIMVXKWCAMIVTN-QGZVFWFLSA-N 329.831 2.585 0 50 EFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Nc1ccccc1C(C)C)C2 72139155 ZBMASCGUPSNWKT-UHFFFAOYSA-N 326.400 2.792 0 50 EFAA c1nc(CN2CCCC2)sc1-c1nn2c(C3CC3)nnc2s1 71712037 QKMSHLROILBCFB-UHFFFAOYSA-N 332.458 2.783 0 50 EFAA C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)N(C)C 240278322 DQLYMSNUEXVEHB-DDTOSNHZSA-N 325.250 2.619 0 50 EFAA CCOC(=O)C1(CCOC)CCN(C(=O)c2sccc2C)CC1 13594601 QGWWPXSFXLFQNJ-UHFFFAOYSA-N 339.457 2.879 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 219560622 GDBSQACDGDXBRL-CQSZACIVSA-N 328.416 2.900 0 50 EFAA OCCn1ncc2c1CN(Cc1nc(-c3ccccc3)cs1)C2 215763183 PXNWPCOXDAMBNI-UHFFFAOYSA-N 326.425 2.515 0 50 EFAA Cn1nnc2cc(C(=O)N3C[C@@H](c4ccccc4)C4(CCC4)C3)cnc21 333985217 FUUMYLDJBMVDRQ-INIZCTEOSA-N 347.422 2.773 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)CCO1 241126125 JJRPFSJJXJGBOB-UZLBHIALSA-N 342.483 2.818 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)[C@@H](C)N 449594253 XPIQGECQIAYEFG-MNOVXSKESA-N 334.851 2.537 0 50 EFAA CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C12CCC2 132866425 NXEROYXUTLZTAB-GJZGRUSLSA-N 331.416 2.597 0 50 EFAA CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@H]1CS[C@@]3(C)CCC(=O)N13)C2 245225488 VZIQDERUAWOZPX-WYEVINAZSA-N 336.501 2.771 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCCSc3cnn[nH]3)CC2(C)C)cc1 426488498 ZFEHZUCFVOEKDZ-QGZVFWFLSA-N 330.457 2.689 0 50 EFAA CCOc1ccccc1CN1CCC[C@H](c2ccn(CCO)n2)C1 426526456 QFAYUVDVMNKTEG-INIZCTEOSA-N 329.444 2.654 0 50 EFAA CCn1nc(Cc2ccc(OC)c(OC)c2)nc1Cc1cc(C)no1 96165555 OWBVMQSSZPKBET-UHFFFAOYSA-N 342.399 2.793 0 50 EFAA O=C(NC[C@H]1CCC[C@@H]1O)c1cc(Br)cnc1C1CC1 822332724 OSUZCDSJUWXBAQ-MFKMUULPSA-N 339.233 2.612 0 50 EFAA O=C(Nc1cccnc1F)N1CCN(C2Cc3ccccc3C2)CC1 95519137 VJCMAMJFJDRNFF-UHFFFAOYSA-N 340.402 2.538 0 50 EFAA COc1ccccc1-n1cc(-c2cn(Cc3ccccn3)nn2)cn1 91679198 KETFQNMVOKVDOR-UHFFFAOYSA-N 332.367 2.583 0 50 EFAA CC(C)N1CCO[C@H](CC(=O)NC2(c3cc(F)ccc3F)CC2)C1 97334336 HUZRDAWIJWWQJH-CQSZACIVSA-N 338.398 2.569 0 50 EFAA Cc1ncc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)c(=O)[nH]1 91677579 SGYFNKXRAFSSAQ-GOSISDBHSA-N 348.406 2.610 0 50 EFAA Cc1nc(C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)c(C)o1 293822187 FZCZQFVTPAPWKN-MRXNPFEDSA-N 344.411 2.990 0 50 EFAA CCCn1nc(COc2ccc(F)cc2)nc1CN1CCCCC1=O 96179831 AFGFZVLTXYSKSC-UHFFFAOYSA-N 346.406 2.919 0 50 EFAA CSc1nccc(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)n1 91444764 QLPUECDFIZUZLP-GOSISDBHSA-N 346.500 2.960 0 50 EFAA Cc1cc(CN2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)ccc1F 91931981 MEHTYZMNSUTTBV-INIZCTEOSA-N 348.462 2.720 0 50 EFAA COCc1nc(N(C)Cc2sccc2C)cc([C@H]2C[C@H](N)C2)n1 244773685 PEPJZUNYGNJJAG-JOCQHMNTSA-N 332.473 2.834 0 50 EFAA CCc1c(C(=O)NCC2(N(C)C)CCOCC2)[nH]c2ccccc12 244724096 MNNRYGKYKTXYQH-UHFFFAOYSA-N 329.444 2.571 0 50 EFAA CC1(C)C[C@H](O)CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1 295909984 FQGYPQRTOMHPTR-CQSZACIVSA-N 340.489 2.641 0 50 EFAA COc1cnc(CN2CCC[C@@H](c3nc(CC(C)C)no3)C2)cc1O 244773953 PJIXTUFMBLIWDT-CYBMUJFWSA-N 346.431 2.757 0 50 EFAA COC(=O)CNC(=O)C[C@H](c1cccc2ccccc12)n1cccc1 263588896 ZOYVHNASIVUQBM-GOSISDBHSA-N 336.391 2.910 0 50 EFAA CC1(CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)CCCCC1 534640824 BPRDIHOFDMZKOJ-INIZCTEOSA-N 347.434 2.979 0 50 EFAA Cc1cc(CC(=O)NCC2CCN(Cc3ccccc3)CC2)on1 299773621 GLVBYFFTTKHCIN-UHFFFAOYSA-N 327.428 2.554 0 50 EFAA O=C(N1CCCC1)N1CCC(Nc2nc(-c3ccccc3)no2)CC1 827931157 GDWNGENTMCLIHY-UHFFFAOYSA-N 341.415 2.829 0 50 EFAA Cc1ccc(C)c(OCCNC(=O)N2CCC(c3cc[nH]n3)CC2)c1 584902682 UUIGQJCLTXMIOP-UHFFFAOYSA-N 342.443 2.995 0 50 EFAA O[C@@H]1CCCN(Cc2cccc(OCCN3CCCCC3)c2)CC1 670461072 YOVOQGMYWBOVQU-LJQANCHMSA-N 332.488 2.898 0 50 EFAA Cc1nn(Cc2cc(-c3ccco3)on2)c(C)c1[C@@H]1COCCN1C 952893804 KJLQPCFYJHSDJA-HNNXBMFYSA-N 342.399 2.799 0 50 EFAA S=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1Cl 19795142 NKFKRTWTZWZHNQ-UHFFFAOYSA-N 334.272 2.612 0 50 EFAA C[C@H](C(=O)Nc1cc(Br)ccc1-c1nn[nH]n1)C1CC1 1875273682 APLYJKOTSUTZCJ-ZETCQYMHSA-N 336.193 2.614 0 50 EFAA CC(C)n1cncc1CN1[C@@H](C(=O)O)CS[C@@H]1c1ccncc1 1875283439 SDCKMRSVVFVPHI-HUUCEWRRSA-N 332.429 2.560 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccnn2-c2ccccc2C)CC1 1875369477 QHYWGFHHXBVIEE-UHFFFAOYSA-N 338.411 2.544 0 50 EFAA C=CC(=O)N1CCC[C@@H](C(=O)NC2(Cc3ccc(F)cc3C)CC2)C1 1875301468 LIWWYGVRIKCKGF-MRXNPFEDSA-N 344.430 2.750 0 50 EFAA CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2ncccn2)Cc2ccccc21 1875330309 WUQUTZPVRCGTAR-QGPMSJSTSA-N 336.439 2.743 0 50 EFAA CC(=O)N1CC[C@H](N(C)c2nc(-c3cccnc3)nc3ccccc23)C1 1875359210 XZCRZFXDVZSBCE-INIZCTEOSA-N 347.422 2.749 0 50 EFAA Cn1c(=O)ccc2c(NC(=O)c3cncc(C(F)(F)F)n3)cccc21 1875380699 WSZQTAARTCCRHU-UHFFFAOYSA-N 348.284 2.600 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(NC(=O)COC)c(OC)c1)n1cccc1 952982889 RODHGFUSZRNQDU-HNNXBMFYSA-N 345.399 2.671 0 50 EFAA Cc1nnc(SC[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)s1 1775993763 KAGPNGRBSHFCPX-GUBZILKMSA-N 333.429 2.831 0 50 EFAA CCOC1CC(CC(=O)N2CCC(Cc3ccc(N)nc3)CC2)C1 1775993975 YKSOGRXDCWYCLD-UHFFFAOYSA-N 331.460 2.650 0 50 EFAA CC(C)(CC(=O)Nc1ccc(CO)cc1O)NC(=O)OC(C)(C)C 1776004544 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COc1cccc2c(N3CCN(c4nccnc4C)CC3)ccnc12 685039163 YBTJJFXJKYEHAL-UHFFFAOYSA-N 335.411 2.668 0 50 EFAA O=C(Nc1ccc2c[nH]nc2c1)[C@H]1CCCN(CC(F)(F)F)C1 194117909 ZQIAHDTZYCICRY-NSHDSACASA-N 326.322 2.776 0 50 EFAA COc1ccc2c(c1)OCCN([C@@H](C(=O)O)c1ccccc1F)C2 652446539 JFQADQHNYSTGBO-QGZVFWFLSA-N 331.343 2.855 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 1529126315 ATDZJUHEMGKCDR-CYBMUJFWSA-N 338.367 2.820 0 50 EFAA Cc1cccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1 1704308715 HYFJTSLUIJXPJF-PZJWPPBQSA-N 339.435 2.875 0 50 EFAA CCc1nccn1CCC(=O)N1CCCN(C[C@@H]2CC=CCC2)CC1 1775979561 WVLYVXMEYSGRCV-GOSISDBHSA-N 344.503 2.726 0 50 EFAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 1772807258 TWULHPYZLAFWJO-RYUDHWBXSA-N 337.363 2.629 0 50 EFAA COc1cc(CNc2nn[nH]n2)ccc1OCc1ccccc1F 5019136 BEFIDEZYKWJMKD-UHFFFAOYSA-N 329.335 2.539 0 50 EFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Cl)ccc21 5321562 SPEPCBRNELPTEO-GOSISDBHSA-N 344.798 2.952 0 50 EFAA 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CC[C@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)c1nc2ccccc2[nH]1 225629549 FFTMMKKJEMWCTO-SUMWQHHRSA-N 349.394 2.718 0 50 EFAA Cc1cccc2cc(CN3CCC(N4CCCC4)CC3)c(=O)[nH]c12 67868111 TVVUVYKELLUWGF-UHFFFAOYSA-N 325.456 2.897 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C 55183205 HCZGHXPETDMZEC-OAHLLOKOSA-N 331.460 2.804 0 50 EFAA Cc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)ccc1-n1cccn1 421782158 BQJWHOVRUMVEQN-GOSISDBHSA-N 337.379 2.987 0 50 EFAA COc1ccccc1-n1nc(C(C)C)nc1CCCn1cncn1 65370454 LXVKBRVMUBTHNJ-UHFFFAOYSA-N 326.404 2.624 0 50 EFAA O=C(NCCCO[C@@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 150763478 DVPYXANYCBYWKR-CYBMUJFWSA-N 333.306 2.511 0 50 EFAA Nc1ccnc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1 67723479 SFEQVTJVYJQGNQ-UHFFFAOYSA-N 329.310 2.555 0 50 EFAA COC(=O)Cc1occc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 328590115 ALYFRIQMUDWEHY-UHFFFAOYSA-N 325.324 2.638 0 50 EFAA O=C(NCc1cccnc1N1CCCCCCC1)c1cnccn1 11842765 PMRQCEMMHSQOOP-UHFFFAOYSA-N 325.416 2.572 0 50 EFAA COc1cccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)c1 1402000 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QPIMEFGAPMDSCQ-NEPJUHHUSA-N 347.513 2.944 0 50 EFAA C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1csc(C(C)(C)C)n1 1875285187 GDGZXLNZGFRHBJ-NWDGAFQWSA-N 345.534 2.515 0 50 EFAA O=C(NC[C@@H](c1ccc(Cl)cc1)C1CC1)c1nc[nH]c2ncnc1-2 1875282017 JTRDDXLHLUIETG-CYBMUJFWSA-N 341.802 2.882 0 50 EFAA O=C(O)[C@@H]1[C@H]2CC[C@@]1([C@H]1CCCN(C(=O)c3coc(C4CC4)n3)C1)C2 1875277566 QSCFWLBBEIYPBF-NGOJXBLDSA-N 344.411 2.905 0 50 EFAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1cc(O)nc(O)n1 1875267287 CIGUQVNIFAJSRX-AWEZNQCLSA-N 349.818 2.893 0 50 EFAA CC(=O)N[C@H](C(=O)N1C[C@H]2C(c3ccccc3C)[C@@H]2C1)C1CCCC1 1875313300 OKBNLYRHEHCGKT-GGPKGHCWSA-N 340.467 2.862 0 50 EFAA CC(C)(C)c1ccc([C@H]2NC(=O)CCN(C[C@@H]3CCCO3)C2=O)cc1 1875310944 HKBAADIOOWMSMM-FUHWJXTLSA-N 344.455 2.553 0 50 EFAA CC(C)n1ccc(=NC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)[nH]1 1875395564 DZVNFFQIBJNCEY-FNHZYXHNSA-N 341.459 2.970 0 50 EFAA Cc1ccc(-c2csc(NC(=O)C[C@H]3CCNC3=O)n2)cc1C 878011383 YYVULLZXUHBRBD-CYBMUJFWSA-N 329.425 2.892 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCN2CCc3ccccc32)C1 888102692 GNFMGYWRULRZIM-MJGOQNOKSA-N 340.471 2.851 0 50 EFAA CC(C)n1[nH]cnc1=NC(=O)c1cc(F)cc(Br)c1F 899164077 NRTMTJMPLHZPLH-UHFFFAOYSA-N 345.147 2.574 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CO)(Cc2ccccc2)CC1 408473806 JOWZGFVXCXBEGM-WMZOPIPTSA-N 331.456 2.645 0 50 EFAA Cn1c(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)nnc1C1CC1 276101286 WKIAFWPAWKJLJS-MRXNPFEDSA-N 340.475 2.642 0 50 EFAA CCc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccsc1 276760088 AFTDCRLPOJLDCY-CYBMUJFWSA-N 339.438 2.805 0 50 EFAA CCO[C@@H](C(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 171232757 KUGVHEPVVUMAFE-CRAIPNDOSA-N 343.427 2.937 0 50 EFAA COc1ccc(C[C@@H](C)CN2CC(OCc3nnc(C)o3)C2)cc1F 643832825 RQCVTFQNHJAJOT-GFCCVEGCSA-N 349.406 2.605 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccccc2)C1 195572551 DLWQVYNCIXXYRT-HUUCEWRRSA-N 340.427 2.729 0 50 EFAA C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C1(C(=O)O)CCC1 663105730 VLOXYVDVLHDLTE-OAHLLOKOSA-N 344.455 2.932 0 50 EFAA CCc1nccn1C[C@H](C)NCc1nc(Cc2ccccc2)no1 1506415716 BXRQQYQEOIMMQR-AWEZNQCLSA-N 325.416 2.598 0 50 EFAA O=C(CN1C[C@@H]2CC[C@H]1C2)N(CCO)CC12CC3CC(CC(C3)C1)C2 1506420567 JCAHXDDFUFDGLA-CYSNLQCGSA-N 346.515 2.508 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(C)n3C(F)F)CCN12 1529152946 NSYWQUQTTZSEMY-UONOGXRCSA-N 341.402 2.517 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@H]1CC2CCN1CC2 1775981461 DSGSCTYCUAFNTB-QGZVFWFLSA-N 342.418 2.659 0 50 EFAA C[C@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1 11689967 MCATUPPVRUPLAB-LJQANCHMSA-N 333.347 2.740 0 50 EFAA COC[C@H](C)NC(=O)c1sc2ncnc(N3CCCCC3)c2c1C 12150014 CICLMXLEEWGVOV-NSHDSACASA-N 348.472 2.755 0 50 EFAA CC(=O)c1cccc(CN2CCC[C@H](N(C)CCCN(C)C)C2)c1 19744466 LDTQUWSQAKMFQE-FQEVSTJZSA-N 331.504 2.737 0 50 EFAA COc1ccc2cc(-c3nccn3CCc3cnc[nH]3)c(O)nc2c1 1857689710 KHTLALLFIRPFKU-UHFFFAOYSA-N 335.367 2.778 0 50 EFAA Cc1ccc(F)c(S(=O)(=O)N2CCc3[nH]nc(C4CC4)c3CC2)c1 1857695429 JLAGHTWZPRCWPL-UHFFFAOYSA-N 349.431 2.524 0 50 EFAA Cc1nc(C)c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nc1C 423614668 SZKLRKTZVGNHEE-MRXNPFEDSA-N 344.846 2.842 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cccc3[nH]ccc23)o1 328609442 DHPBFBPNLLUFMC-OAHLLOKOSA-N 340.383 2.888 0 50 EFAA CCn1cnnc1[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)CCO1 328633431 LZPZHDKSOQTHOE-IRXDYDNUSA-N 330.407 2.888 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2 248706739 HTAIPRRPVXSVIB-PMPSAXMXSA-N 344.455 2.812 0 50 EFAA C[C@@H](C[S@@](C)=O)NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 253394239 ADMJWVWERRRWOZ-QOJDETLASA-N 332.469 2.783 0 50 EFAA O=C(NCC1(c2ccc(F)cc2F)CC1)[C@@H]1C[C@H]1C1CCNCC1 368099194 DRXNZTVMAAVWBU-LSDHHAIUSA-N 334.410 2.748 0 50 EFAA NCC1([C@@H]2CCCCN2Cc2cnn(-c3ccccc3)n2)CCC1 903814204 LPASDFRXDPJGKY-SFHVURJKSA-N 325.460 2.751 0 50 EFAA COC1(c2noc([C@H]3CCN(Cc4ccccc4)C3=O)n2)CCC1 904031091 ULGSSXWKMQBEGV-CQSZACIVSA-N 327.384 2.611 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccncc3Cl)C1)CC2 1704306204 SJGDQSIECWWLLP-GOSISDBHSA-N 342.830 2.954 0 50 EFAA Cc1cn2c(=O)cc(CN3CCCC[C@H]3c3ccnn3C)nc2s1 930308052 VCIXYONFMWFEQS-HNNXBMFYSA-N 343.456 2.525 0 50 EFAA Cc1noc(C[C@H]2CCCN(C(=O)Nc3ccn4ccnc4c3)C2)n1 931221389 CNMADUCEUBKTPW-CYBMUJFWSA-N 340.387 2.512 0 50 EFAA Cc1ccc(S(=O)(=O)C2CCN(Cc3[nH]c(C)nc3C)CC2)cc1 931605762 YPWRZOBGEPDHLP-UHFFFAOYSA-N 347.484 2.773 0 50 EFAA Cc1nn(C)cc1[C@H](C)NC(=O)Cc1cccc(C(F)(F)F)n1 931774529 KPIVYEKTXUTQAD-VIFPVBQESA-N 326.322 2.562 0 50 EFAA Cn1cc(Br)cc1C(=O)N[C@H](CCO)C1CCCCC1 151162298 SHHAJSOKXQSPSY-CYBMUJFWSA-N 343.265 2.849 0 50 EFAA CSc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 615411 PQOJSJSQQSNEBV-UHFFFAOYSA-N 331.445 2.511 0 50 EFAA CC1(C)C[C@](CCNC(=O)CCC(=O)O)(c2ccccc2)CCO1 2110249 LRLCVRAFFOKFPB-LJQANCHMSA-N 333.428 2.885 0 50 EFAA biogenic O=C(Nc1cccc(N2CCSCC2)n1)Nc1c[nH]nc1C1CC1 2325781999 LZGGQIUMDOQMMP-UHFFFAOYSA-N 344.444 2.879 0 50 EFAA O=C1C=C(NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2325826619 HFCXOSJGSUTTJC-UHFFFAOYSA-N 326.783 2.929 0 50 EFAA Cc1cnn(C[C@H]2CN(C(=O)NCC3(CC(C)C)CCC3)CCO2)c1 128014286 IXCQNIPKCJJJDN-QGZVFWFLSA-N 348.491 2.818 0 50 EFAA Cc1cc2ncn(C[C@@H](O)COc3ccc(C(=O)O)cc3)c2cc1C 98540 SPOFGIRCRRPIIO-OAHLLOKOSA-N 340.379 2.791 0 50 EFAA COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1 319043 GMRFPMLJHOFDDW-UHFFFAOYSA-N 327.431 2.645 0 50 EFAA COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1 615844 KMMYYEGQQSGQJB-LBPRGKRZSA-N 327.336 2.907 0 50 EFAA COc1cnccc1-c1ccc(C(=O)NCC2CCOCC2)cc1 2356167406 OEEPUEKOMCULLU-UHFFFAOYSA-N 326.396 2.914 0 50 EFAA Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1 7652003 FGDCIWQBQKZDBM-UHFFFAOYSA-N 336.388 2.637 0 50 EFAA CS(=O)(=O)c1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1 133784404 XGEWPJDPIAGIKL-UHFFFAOYSA-N 346.383 2.994 0 50 EFAA O=C(OCc1nnc2n1CCCC2)c1csc(-c2ccoc2)n1 225591121 GRZNOAZNHJFYTO-UHFFFAOYSA-N 330.369 2.688 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N(C)CCc2noc(C(C)C)n2)cc1 55154053 HAHYNYZGDXAWPU-UHFFFAOYSA-N 344.415 2.531 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)oc2c1OC 1074594463 RCMVOQMTZYNCPH-OUCADQQQSA-N 331.368 2.666 0 50 EFAA CCN(CCOc1ccc(F)cc1)C(=O)c1cnc(NC(C)C)nc1 55088330 KGXFSXGHKSBGEU-UHFFFAOYSA-N 346.406 2.977 0 50 EFAA Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCc1ccccc1 65329734 FEAHSVWAGDLERI-UHFFFAOYSA-N 339.395 2.884 0 50 EFAA O=C(NCCOc1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(O)C2 171903246 LKASWDPRAHWISJ-HOTGVXAUSA-N 340.423 2.916 0 50 EFAA O=C(NCc1ccccc1)c1ccc(-n2ccc(-c3cnccn3)n2)o1 65385847 XONPVGXTAJZQKA-UHFFFAOYSA-N 345.362 2.852 0 50 EFAA CN(Cc1ccccc1N1C[C@H](C(=O)O)CC1=O)C1CCCCC1 65488358 DYZYVMTUOSHBAX-OAHLLOKOSA-N 330.428 2.889 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253394822 AUGYUEABQGBNKS-KFWWJZLASA-N 343.345 2.707 0 50 EFAA COc1ccc(C2(C(=O)NCCc3ncc[nH]3)CCCC2)cc1OC 180369194 DSRUQRIXSQCCLM-UHFFFAOYSA-N 343.427 2.598 0 50 EFAA CCCCc1nc(CN2CCC[C@@H]2[C@H]2CCCN2C(=O)CC)no1 257365365 RFCWFMFOPKAOBX-HUUCEWRRSA-N 334.464 2.778 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328637004 OKOMXIZGIWHJFN-HNNXBMFYSA-N 341.459 2.891 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCc2c(C)cccc21 328632745 SCHVXVPVQQQWQR-CRAIPNDOSA-N 325.412 2.878 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2scnc2C)n1C 328621169 AJAOOYGUXIKTGQ-CQSZACIVSA-N 332.473 2.877 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 215415400 GKFNSHHHVFLYPP-IBGZPJMESA-N 340.471 2.740 0 50 EFAA CCc1cc(N2CC[C@]3(CC(=O)c4ccccc4O3)C2)n2nccc2n1 72432959 XPYUQUVFOPREBQ-FQEVSTJZSA-N 348.406 2.906 0 50 EFAA Cn1nccc1[C@@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 377249510 MOSGZTOFDMWIMA-CQSZACIVSA-N 325.412 2.981 0 50 EFAA Cc1[nH]nc(CCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1C 72429403 QGEZJKGEKNTFOK-UHFFFAOYSA-N 339.399 2.668 0 50 EFAA COc1ccccc1[C@H](C)NC(=O)CN1CCOC2(CCCCC2)C1 173849638 VWBCUACQGHBLRV-INIZCTEOSA-N 346.471 2.908 0 50 EFAA Cc1nc(CCCn2ccnc2-c2cc3n(n2)CCNC3)sc1C 72458375 PNCGSWCKMIDUAY-UHFFFAOYSA-N 342.472 2.556 0 50 EFAA CSc1ccc(-c2nc(CN3CCNC(=O)[C@H]3C)c(C)o2)cc1 71770930 PTQUBCSRWJKHNR-LLVKDONJSA-N 331.441 2.692 0 50 EFAA O=C1CC[C@]2(CCCN(c3cccnn3)C2)CN1Cc1ccccc1 72470628 UBWQAHZEMZXJRN-FQEVSTJZSA-N 336.439 2.886 0 50 EFAA Fc1cc(F)cc([C@@H]2CN(Cc3ncc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72140245 LNMOAFQWYAWKBA-QXAKKESOSA-N 344.409 2.750 0 50 EFAA CCN1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 76424948 LFYFAEYCMDTXFF-UHFFFAOYSA-N 343.515 2.642 0 50 EFAA O=c1c2ccccc2nc(S)n1[C@H]1CCO[C@]2(CCSC2)C1 127843897 XSQVOWBXYXJGEA-MEDUHNTESA-N 334.466 2.912 0 50 EFAA CC(=O)N1CC[C@H](C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)C1 176542411 SSVKDTYTTYQDJU-INIZCTEOSA-N 346.471 2.941 0 50 EFAA CC(C)[C@@H]1CN(Cc2cccc3nonc23)CCC(=O)N1CC1CC1 71775707 FANRFNAIVXBMBQ-KRWDZBQOSA-N 342.443 2.692 0 50 EFAA Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2ccc(C)nc2)cc1 222927644 DLXQOZNLDXUUQW-OAHLLOKOSA-N 346.452 2.740 0 50 EFAA O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 286269262 NPHXQAJHSMFQPT-AWEZNQCLSA-N 348.428 2.648 0 50 EFAA N[C@H]1CC[C@@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 237858993 BSWAQCRXZPQKGO-WBVHZDCISA-N 335.879 2.502 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)C1 263358218 XPTDPAVYCLIJPC-ZMSDIMECSA-N 349.402 2.834 0 50 EFAA CC(C)(C(=O)NCCc1ccc2c(c1)CCO2)c1ccc(O)cc1 240569413 HALWJSVRYFRDOU-UHFFFAOYSA-N 325.408 2.964 0 50 EFAA Oc1nc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc2ccccc12 339781503 TZRANNUNEJZIEH-BBRMVZONSA-N 325.343 2.787 0 50 EFAA COc1ccc(CN2CCN(c3ccccc3OC)C(=O)C2)cc1C 426510167 PZZMDXABKOAUJN-UHFFFAOYSA-N 340.423 2.861 0 50 EFAA Cc1cc2nc(C(=O)NCCc3c[nH]c4ccccc34)cc(C)n2n1 82311876 GRCBZZDFBRBNPO-UHFFFAOYSA-N 333.395 2.800 0 50 EFAA Cc1cnccc1Sc1nnc([C@@H](N)Cc2ccccc2)n1C 426635331 KAJUPJRMSRCNHY-AWEZNQCLSA-N 325.441 2.912 0 50 EFAA CCCn1ncc(C(=O)N[C@@]2(C(=O)O)CCCc3ccccc32)c1C 95506842 DHOGNAMGXPRVQU-IBGZPJMESA-N 341.411 2.648 0 50 EFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C1(CO)CC1 92021159 LLBSPAPOHLSRCZ-CYBMUJFWSA-N 346.475 2.504 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95354461 GMJOGXHBVSOVSX-KRWDZBQOSA-N 330.407 2.688 0 50 EFAA Cc1cccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1O 94080161 PTNOVIQKSIOUNF-MRXNPFEDSA-N 326.396 2.917 0 50 EFAA O=C1CCCN1CC[C@@H]1CN(C[C@H](O)C(F)(F)F)c2ccccc21 181769493 BORKJJAJIMGFPS-DOMZBBRYSA-N 342.361 2.526 0 50 EFAA CCCc1cc(N2CCC(N[C@H]3CC[C@H](O)CC3)CC2)nc(C)n1 244678476 IEBZIMKFKSMTJI-RZDIXWSQSA-N 332.492 2.599 0 50 EFAA CN1CCCN(CC(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1 244794941 QWUHKMWYNBLXQU-HXUWFJFHSA-N 343.515 2.714 0 50 EFAA COc1ccc(F)c(F)c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 244691529 JELPQOCDCZBBKK-CYBMUJFWSA-N 347.317 2.625 0 50 EFAA CCc1nnc(NC(=O)CCN2CC(Oc3cccc(C)c3)C2)s1 241081858 YRHDLOMUAODDKY-UHFFFAOYSA-N 346.456 2.501 0 50 EFAA C[C@@H](CN1CCn2nc(CNc3cnccn3)cc2C1)c1ccccc1 299801799 ZGCLPZGXWIUKHA-INIZCTEOSA-N 348.454 2.905 0 50 EFAA Cn1cc(Cl)c(C(=O)NC2CCN(c3ccccc3F)CC2)n1 299763429 WJYNLYWAGNWKMI-UHFFFAOYSA-N 336.798 2.611 0 50 EFAA COc1ccc(CN2CC(c3ccncc3)C2)cc1Cn1cccn1 824722616 BZZDUXSWXVWHQO-UHFFFAOYSA-N 334.423 2.934 0 50 EFAA CCN(CC(F)(F)F)C(=O)c1ccc(-c2cnc3nncn3c2)cc1 584895626 SYKLGNDIDYNMEI-UHFFFAOYSA-N 349.316 2.816 0 50 EFAA O=C(COC1CCCC1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848317 KKVHWHNRLMRLBY-CVEARBPZSA-N 344.459 2.593 0 50 EFAA O=C(CSc1cnccn1)/N=c1\sccn1Cc1ccccc1 1875261561 KYTBPYFVFONRIH-MNDPQUGUSA-N 342.449 2.608 0 50 EFAA O=C(N[C@@H]1CCC[C@]23OCC[C@H]2C[C@@H]13)c1ccc(-n2cccc2)nc1 1875297071 BIQFDMZYOAVHRN-LJCCNALRSA-N 337.423 2.950 0 50 EFAA O=C(NC[C@H](O)c1ccc(F)cc1)c1cc(Cc2ccccc2)on1 1875344736 KYLLLKJGDKZPSW-SFHVURJKSA-N 340.354 2.868 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 1875365577 CNFSLESIYADBPN-UHFFFAOYSA-N 340.467 2.892 0 50 EFAA CCC(=O)N1C[C@@H]2CCC[C@@H](N=c3[nH]c4ncc(Cl)cc4o3)[C@H]2C1 1875332306 ONIGZWIZIRLESE-WCFLWFBJSA-N 348.834 2.747 0 50 EFAA N[C@H](CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 952865791 XMYXICJWPYGFPR-GOSISDBHSA-N 337.423 2.536 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)C[C@@H]2CCC(=O)N2)cc1 888099018 STYOKCJQAOSQNK-WMZOPIPTSA-N 347.503 2.554 0 50 EFAA O=C(CN1CCC(c2ncccn2)CC1)Nc1ccc(F)cc1F 1413066060 VORJTBLVVLEJOA-UHFFFAOYSA-N 332.354 2.573 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1775254325 VRYVASRKHBXNAI-NRSPTQNISA-N 344.499 2.543 0 50 EFAA CC(C)c1nc(N2CCCC3(CCNCC3)CC2)c2cnn(C)c2n1 72474859 WPFSGDSXHUKRPV-UHFFFAOYSA-N 342.491 2.847 0 50 EFAA CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc21 1462735523 WRUJEVLPEVWSOU-GFCCVEGCSA-N 348.424 2.618 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1Cn1ccnc1 408473767 UIFBLPXBVDFAPE-RTBURBONSA-N 341.455 2.999 0 50 EFAA COc1ccc(Cl)cc1[C@H](O)CNc1cc(Cl)nc(N)n1 1363736557 WMMQNQNLLWRCCH-SECBINFHSA-N 329.187 2.520 0 50 EFAA C[C@@H]1C[C@H](NC(=O)NCc2ccc(F)cc2Br)CCO1 271328566 ZKNZZLSKRUVONP-BXKDBHETSA-N 345.212 2.955 0 50 EFAA NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 170608156 UMPNGGXIBZZWMO-SNVBAGLBSA-N 337.177 2.715 0 50 EFAA Cc1noc(Cl)c1CCC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 280267298 ZKHUEUCBJUEYBJ-JTQLQIEISA-N 338.795 2.825 0 50 EFAA C[C@H]1CCCCN(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 187527625 SMISBTCWDJPEIA-ZDUSSCGKSA-N 339.461 2.736 0 50 EFAA Cc1nc2c(s1)[C@H](N(C)Cc1nnnn1CC(F)(F)F)CCC2 190989068 WXDOQOGGNNJFIS-SNVBAGLBSA-N 346.382 2.510 0 50 EFAA Cc1occc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 194554285 DDPLQBZLSADENM-UHFFFAOYSA-N 346.814 2.769 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1n1cccn1 195327246 AEUXVEJUJXEZER-GJZGRUSLSA-N 349.456 2.662 0 50 EFAA COc1ccc(F)cc1CC(=O)N[C@@H]1CCCc2nc(C)ncc21 772993466 HTJQVDFKDBLKMO-MRXNPFEDSA-N 329.375 2.669 0 50 EFAA CCCOc1ccc(C(=O)N2CCN3[C@@H](CCC)COC[C@H]3C2)cc1 1529173148 MWGINIMQHJFWAI-ZWKOTPCHSA-N 346.471 2.801 0 50 EFAA CCCCc1c(C)[nH]c(-c2cccc(CN3CC[C@@H](O)C3)c2)nc1=O 200543088 WGAOXRZWVAIWQK-QGZVFWFLSA-N 341.455 2.655 0 50 EFAA N[C@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 158046621 YVBMBNIFVHUKLM-LBPRGKRZSA-N 345.668 2.985 0 50 EFAA C[C@H](NC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1)C1CCCCC1 1772701500 QKWULJICSQCEBH-YJBOKZPZSA-N 343.471 2.708 0 50 EFAA COC(=O)CCC(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 12050725 AHAJHPUNIFHLHB-CYBMUJFWSA-N 347.459 2.857 0 50 EFAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1 18143084 PBDJAAPXQKVTPJ-UHFFFAOYSA-N 342.782 2.746 0 50 EFAA Cc1ccc(CN2CC[C@@H](N(C)Cc3ccon3)CCC2=O)cc1 19770829 HSLNAPAIQTTZCR-SFHVURJKSA-N 327.428 2.996 0 50 EFAA COc1cccc2ccn(CCC(=O)N[C@H](CC(C)C)C(=O)O)c12 206410688 QUABYHYQEMEJMF-CQSZACIVSA-N 332.400 2.656 0 50 EFAA CCCCn1c(CN2C[C@@H]3CCOC[C@]3(CO)C2)nc2ccccc21 1857669265 YABDBWMXAAMCIL-OXJNMPFZSA-N 343.471 2.667 0 50 EFAA O=C(NCc1nc2ncccc2o1)c1nc2ccc(Cl)cn2c1F 1857674961 FPJZSOCODZPVJA-UHFFFAOYSA-N 345.721 2.593 0 50 EFAA FC(F)(F)c1ccc(N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)nc1 1857693160 KTUVRNBJYYYBCI-HZSPNIEDSA-N 327.350 2.764 0 50 EFAA CCN(C(=O)c1cccc2cn[nH]c12)[C@H]1CCN(c2ccccc2)C1=O 110021004 NNPAQYKMSSXGDQ-KRWDZBQOSA-N 348.406 2.831 0 50 EFAA CC1(C)C[C@@H](NC(=O)NCc2nc(C(F)(F)F)cs2)CCO1 119183540 AGXCHSCWOQUZIJ-QMMMGPOBSA-N 337.367 2.919 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)[C@@H]2CCC(F)(F)C2)c1 328589409 RCBJDIQIHUCXCK-IPYPFGDCSA-N 325.355 2.765 0 50 EFAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](C(=O)N(C)C)C1)CC2 331725698 NBNXQWBAAJSTQD-WMZOPIPTSA-N 343.471 2.917 0 50 EFAA CC(C)n1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)n1 240471687 GDVAMNRSMQGYAZ-UHFFFAOYSA-N 345.418 2.813 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCC[C@@H](O)C3)s2)c1 131393117 GZTWGASPHXPSGD-CYBMUJFWSA-N 332.429 2.811 0 50 EFAA C[C@@]1(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC(=O)N1 457194154 RMFLYASPAMKMKP-ZDUSSCGKSA-N 334.725 2.757 0 50 EFAA COc1cccc([C@@H](NC(=O)CC2(OC)CCC2)c2nccn2C)c1 364549379 VRLLQDNPFVSMFK-QGZVFWFLSA-N 343.427 2.594 0 50 EFAA COC(C)(C)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 264574148 SOQVOMVXGRFWJE-UHFFFAOYSA-N 328.416 2.603 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccc(C(N)=O)nc1 163702321 SPEJDAIOEXRVJF-CQSZACIVSA-N 342.399 2.917 0 50 EFAA CCn1cc(O[C@@H]2COC[C@@H]2NC2CC(c3cccc(F)c3)C2)cn1 818232316 ZJVHYWZOAUMCKS-NHSGJMAASA-N 345.418 2.724 0 50 EFAA Cn1nc(C(F)(F)F)cc1CNc1ncc(C(=O)O)cc1Cl 900973341 CTMONVVWEHITAQ-UHFFFAOYSA-N 334.685 2.798 0 50 EFAA CC[C@H](Cc1ccc(NS(=O)(=O)c2ccns2)cc1)C(=O)O 901657526 TUEMDUFRUICWIA-LLVKDONJSA-N 340.426 2.597 0 50 EFAA O=C(O)[C@H]1c2ccccc2OCCN1CCOc1ccccc1F 903928744 PZWHBECWAZQDOJ-QGZVFWFLSA-N 331.343 2.725 0 50 EFAA O=C(O)c1cccc(Cc2cnc(NC(=O)[C@H]3CCCO3)s2)c1 910628185 DXPVYDSTHBVWDH-CYBMUJFWSA-N 332.381 2.550 0 50 EFAA O=C(NCc1ncccn1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 858619938 RUFXWKLWSWULGJ-CYBMUJFWSA-N 332.354 2.844 0 50 EFAA CCCCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O 19320261 HVXOIOSTLGLVLO-UHFFFAOYSA-N 342.439 2.811 0 50 EFAA biogenic Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1 114031560 XBBRLCXCBCZIOI-DLBZAZTESA-N 336.395 2.877 0 50 EFAA FC(F)(F)c1ccc2nnc(CNCc3cc4cnccc4[nH]3)n2c1 2325860017 URYDCSAQGVAEBE-UHFFFAOYSA-N 346.316 2.914 0 50 EFAA O=C(CCc1ccccc1)NC(=S)Nc1ccc2c(c1)C(=O)OC2 1126127 NFEWLSJQKKWJHM-UHFFFAOYSA-N 340.404 2.803 0 50 EFAA O=C(O)c1c(N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)noc1-c1ccccc1 2356145567 QIZVLSFIKDDRRK-DEZZGGKRSA-N 328.368 2.780 0 50 EFAA Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1F 4868269 NTQLVBGSJAHRGL-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1NS(C)(=O)=O 10112483 MAUDKGNFDDDPQK-CYBMUJFWSA-N 344.436 2.958 0 50 EFAA CS[C@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 247508499 VMRMMKYAVQNYRD-RDJZCZTQSA-N 344.484 2.609 0 50 EFAA CCn1cc(-c2nnc(SCC(=O)O)n2-c2ccccc2)c(C)n1 65405647 BACIZBMVFGARAQ-UHFFFAOYSA-N 343.412 2.636 0 50 EFAA COc1cc2c(cc1Cn1ccc3nc(O)c(C#N)cc3c1=O)CCC2 67880913 JOOMVOKZNBEUCX-UHFFFAOYSA-N 347.374 2.519 0 50 EFAA Cc1cc(C)nc(SCc2cc(=O)n3c(nc4ccccc43)[nH]2)n1 100134831 ADESETWTVRFOQG-UHFFFAOYSA-N 337.408 2.875 0 50 EFAA C[C@@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)N1CCOCC1 55224555 AEGXZBUKLLESLM-CCLIWJKGSA-N 334.504 2.772 0 50 EFAA O=C(NCc1ccco1)c1cccc(CN2CC[C@]23CCOC3)c1 421008820 BCYVJEQCPGYIJV-LJQANCHMSA-N 326.396 2.574 0 50 EFAA CC(C)(C)c1cnc(CN2CCC[C@H](n3cc(C(=O)O)nn3)C2)s1 859813691 FXTBILBSPXCWQJ-NSHDSACASA-N 349.460 2.567 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1-n1cncn1 67965405 GVAOFPBCRLXNFH-UHFFFAOYSA-N 345.406 2.998 0 50 EFAA CCO[C@H](CCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)C(C)C 230096863 FXTIOJDINQZCMX-GVDBMIGSSA-N 325.497 2.563 0 50 EFAA CC(C)C[C@H](CO)NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 252512038 LSBUCDJAZOFDDT-WQVCFCJDSA-N 342.386 2.501 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C 230900000 PSOLLKSAGKHELL-DTORHVGOSA-N 345.180 2.725 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Cl 122640110 QNZBXGQXNGKPQV-JTQLQIEISA-N 331.641 2.927 0 50 EFAA CC(C)(CN1CCC([C@H](O)c2cccs2)CC1)N1CCOCC1 67739518 LMRCHSUZGJKBNL-KRWDZBQOSA-N 338.517 2.604 0 50 EFAA C[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328651931 WEGFVANJWKQPDZ-PVAVHDDUSA-N 334.439 2.536 0 50 EFAA CCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 72137093 HBIZBANFKABLJS-GOSISDBHSA-N 348.446 2.747 0 50 EFAA CC[C@@H](NC(=O)CCC(=O)c1ccc(OC)cc1)c1ncc(C)[nH]1 214960423 JHDSIMPZPSAEMY-OAHLLOKOSA-N 329.400 2.957 0 50 EFAA Cc1cc(NC(=O)C2CCN(c3nnc(C(C)C)s3)CC2)no1 253421191 RKYXVEKMRRTDJV-UHFFFAOYSA-N 335.433 2.813 0 50 EFAA Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)[nH]n1 253428918 PHJRLDIPWYVYCJ-OAHLLOKOSA-N 329.791 2.624 0 50 EFAA CCOc1c(F)cccc1C(=O)N1c2ccccc2C[C@H]1C(=O)NC 362263154 RLUBEQPWVIWXIA-INIZCTEOSA-N 342.370 2.542 0 50 EFAA COc1cccc(C(=O)NCc2nc(C3CCCCC3)no2)c1O 219248947 QHYOKNIKAOWKIF-UHFFFAOYSA-N 331.372 2.762 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)Cn1cccnc1=O 77506092 CRSPGYYNMRGWTK-UHFFFAOYSA-N 349.390 2.694 0 50 EFAA C[C@@H]1C[C@H](NC(=O)c2cc(N(C)C)nc3ccccc23)c2nccn21 456414217 IPGKJYYJMOGWHD-WBMJQRKESA-N 335.411 2.933 0 50 EFAA Cc1ccc(C)c(-n2ncc(C(=O)N3CC([C@@H]4CCOC4)C3)c2C)c1 366226618 WRDHPDSKFMUZLA-MRXNPFEDSA-N 339.439 2.906 0 50 EFAA CCC[C@](C)(NC(=O)c1cnn(Cc2ccccc2)c1C)C(=O)O 236846972 HUWPQHBYGKIMNM-SFHVURJKSA-N 329.400 2.613 0 50 EFAA COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C(=O)O)c2c1 263255756 FMYJVVNGSVPQKO-QGZVFWFLSA-N 340.379 2.810 0 50 EFAA CC(C)(CC(=O)N1CCC2(CC1)OCCC[C@H]2O)c1ccccc1 216290497 LRXVQHNZZDXVNO-QGZVFWFLSA-N 331.456 2.887 0 50 EFAA N[C@H]1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 237892968 XOQGRUCXVATGNY-RDJZCZTQSA-N 349.906 2.796 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)Cc2ccccc2F)[C@@H]1c1ccccc1 373656044 LBEFQEHMSLGAPM-JXFKEZNVSA-N 340.398 2.704 0 50 EFAA CN1CCN(CCCSc2nnc3sc4ccccc4n23)CC1 129940084 KWNPVOUASCKAPM-UHFFFAOYSA-N 347.513 2.674 0 50 EFAA CCOc1ccccc1-c1cccc(C(=O)N[C@H](COC)C(=O)O)c1 262980536 NIAQFMSUYYNHBT-MRXNPFEDSA-N 343.379 2.582 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCCC3=O)c2c1 77555742 WCLNICYZECBTRG-UHFFFAOYSA-N 339.439 2.902 0 50 EFAA CCCc1nnc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)o1 71388853 CFCQVOMZAUHHHG-UHFFFAOYSA-N 340.383 2.851 0 50 EFAA CC(C)(C)CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71712215 SJRYKXPPGFEUEX-UHFFFAOYSA-N 328.460 2.845 0 50 EFAA CCN1C[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)CC1=O 46205993 JGZPBJBLEHPQCI-NSHDSACASA-N 329.227 2.521 0 50 EFAA Cc1nc(C(=O)N2CCCO2)nn1-c1c(Cl)cccc1Cl 134212283 CRFXHWFAQOYRQE-UHFFFAOYSA-N 327.171 2.660 0 50 EFAA CSc1ncc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1 222327958 WYUJOKLGTCEIKJ-UHFFFAOYSA-N 347.444 2.725 0 50 EFAA C[C@H](NC(=O)c1cccc(=O)[nH]1)c1nc(-c2ccc(Cl)cc2)no1 220167710 NHFIWLMCNNPUIY-VIFPVBQESA-N 344.758 2.569 0 50 EFAA CNC[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C1 178990069 DSXXZAMCRZAEDE-CYBMUJFWSA-N 332.835 2.516 0 50 EFAA CC(C)(c1noc(CCn2cnccc2=O)n1)c1ccccc1Cl 291977532 UXJPXHRXXJQFSI-UHFFFAOYSA-N 344.802 2.848 0 50 EFAA CCN(CC)CCNC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 426701492 VQDLKANXQZBBLR-UHFFFAOYSA-N 337.855 2.700 0 50 EFAA CCn1nc(CNC(=O)c2cn3cc(C)ccc3n2)c2ccccc21 91915378 PCNYBTNJBPIIGH-UHFFFAOYSA-N 333.395 2.942 0 50 EFAA NC(=O)Cc1nc(COCc2ccccc2)n(C2CCCCC2)n1 96167122 GOYRCEOJYSZKHL-UHFFFAOYSA-N 328.416 2.528 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1c1ccncc1 91876759 YBKAQKCJZNUQRW-JKSUJKDBSA-N 347.374 2.570 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl 180196962 DFBYGRXDEWWMLX-UHFFFAOYSA-N 334.725 2.709 0 50 EFAA COCCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC12CCNCC2 96147821 YMIBEMRHGWJKSB-SFHVURJKSA-N 330.472 2.750 0 50 EFAA CCc1nc([C@H]2CCCCn3nnnc32)n(-c2ccc3c(c2)CCC3)n1 97088538 YQYYEXIUQWZFMQ-MRXNPFEDSA-N 349.442 2.621 0 50 EFAA O=C(NCc1sccc1Br)N1CCCC[C@@H]1CCO 180499189 VZPBUTQZMGHSHS-SNVBAGLBSA-N 347.278 2.957 0 50 EFAA Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1 96141465 GGXXFMYCDQAWGE-UHFFFAOYSA-N 331.326 2.830 0 50 EFAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1 91848885 NIIDWNPPHXKLIS-HNNXBMFYSA-N 341.411 2.776 0 50 EFAA C[C@H](C(=O)N[C@@H]1CC12CCCCC2)N1C(=O)c2ccccc2C1=O 180685508 AWJBSNYFKTVTSC-IUODEOHRSA-N 326.396 2.510 0 50 EFAA Cc1ccnc(-c2noc(CN[C@H](CCO)C3CCCCC3)n2)c1 295023740 QUKXBOXQPONDKB-OAHLLOKOSA-N 330.432 2.861 0 50 EFAA O=C(O)CN1C(=O)N(C2CCCCC2)Cc2cc3c(cc21)OCO3 299788722 XEGCINJMAHZUTF-UHFFFAOYSA-N 332.356 2.575 0 50 EFAA CCN1CCN(c2nc(-c3ccc(F)cc3)ccc2C(=O)O)CC1 299793713 HVHBHXXHTGKEEQ-UHFFFAOYSA-N 329.375 2.728 0 50 EFAA CC(C)n1ccc(C(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)n1 828925473 YAMHGCZXUQDCJE-MRXNPFEDSA-N 342.443 2.564 0 50 EFAA CCc1nc(C)c(-c2nc(COc3cccc(F)c3)nn2CCO)o1 828778249 BJDKEXIKTGCHJP-UHFFFAOYSA-N 346.362 2.514 0 50 EFAA O=C(CCc1ccccc1F)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828012988 GQZYNYWNLWYDJL-OAHLLOKOSA-N 344.386 2.772 0 50 EFAA CCOc1ccc(CCCNC(=O)N2CCC[C@H](N)C2)cc1OCC 823358225 JINHTHDEIGVKOB-INIZCTEOSA-N 349.475 2.549 0 50 EFAA Cc1nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C 25790536 BZPATJSZDVWBOE-UHFFFAOYSA-N 348.447 2.660 0 50 EFAA CC(C)OCCCC(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1 864094116 GBWPUAFOKCUGDL-JOCHJYFZSA-N 326.462 2.941 0 50 EFAA C[C@@H]1CN(C)C[C@@H](c2nc(-c3cccc(Br)c3)no2)O1 685942491 UHWSKSCXYPZWMP-SKDRFNHKSA-N 338.205 2.891 0 50 EFAA COc1cnc(C(C)(C)NC(=O)Nc2cccc(F)c2F)nc1O 952994049 TWPVTGNTTAUGCL-UHFFFAOYSA-N 338.314 2.526 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875253958 ASTFQXMBRKESFH-CJNGLKHVSA-N 348.406 2.736 0 50 EFAA O=C([C@@H](c1ccccc1)n1cnc2ccccc21)N1CCn2nccc21 1875255040 TXLJTNPPOHPBMA-LJQANCHMSA-N 343.390 2.869 0 50 EFAA Cc1nnc(-c2ccccc2C(=O)N[C@@H](CCO)C2CCCC2)o1 889108540 DCALHENFOUKEKV-INIZCTEOSA-N 329.400 2.716 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc(C)oc2C)C1 886041270 GJSPUJOLSPGRKC-GOEBONIOSA-N 330.384 2.600 0 50 EFAA Cc1conc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 888097773 OJLICTJHWBZFRC-FZKQIMNGSA-N 342.399 2.512 0 50 EFAA O=C(CC[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1cnc2c(c1)COCC2 888092779 CUPJLWJLINJTKY-OCCSQVGLSA-N 344.333 2.983 0 50 EFAA CC[C@H]1[C@H](NC(=O)c2cnc(Nc3ccccc3)nc2)[C@H]2CCO[C@@H]12 1565515194 YHZMKTVWQPHHCC-YVSFHVDLSA-N 338.411 2.764 0 50 EFAA Cc1cc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)on1 1565513712 UHRAUXUKLRZHGQ-MSOLQXFVSA-N 339.439 2.649 0 50 EFAA COc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCC[C@H]2C)c(C)c1 408500705 PHCHLIDZTUOSGN-RISCZKNCSA-N 325.430 2.635 0 50 EFAA CCOC[C@@H]1CCN(C(=O)[C@H](CN2CCCC2)c2ccccc2)C1 408518032 SGPKAARTAWJHSF-IEBWSBKVSA-N 330.472 2.751 0 50 EFAA Cc1ncsc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 276317845 NUNFWOTVXHVSBQ-QWHCGFSZSA-N 335.477 2.544 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 187543234 FYCQYTHSNPBAPO-LBPRGKRZSA-N 327.833 2.802 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccc1)c1cc(N2CCOCC2)ccn1 170603308 DSJKAUSTUANAMT-UHFFFAOYSA-N 349.394 2.561 0 50 EFAA C[C@@H](CO)N(C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 188178221 CHTXJAVEPXHKRN-JQWIXIFHSA-N 346.258 2.594 0 50 EFAA O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 674004172 KNYUSRQOUYEJCX-MWLCHTKSSA-N 330.306 2.878 0 50 EFAA CC(C)c1cccc(COc2ccc(C(=O)NC[C@H](C)O)cc2)n1 194478197 VZTZCCADHVTJLG-AWEZNQCLSA-N 328.412 2.895 0 50 EFAA O=C(Nc1cnn(Cc2ccncc2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 195472570 UQPBTZPWKKRXHC-XYPWUTKMSA-N 338.411 2.660 0 50 EFAA O=C(Nc1ccc(F)cn1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 770246299 SCYZDKUEWZZMHQ-CQSZACIVSA-N 343.358 2.818 0 50 EFAA COc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)O 221948741 SMNQBCWDTMHQNL-CVEARBPZSA-N 343.354 2.775 0 50 EFAA CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 16159031 MTKFSLMOTTXCNW-UHFFFAOYSA-N 348.140 2.646 0 50 EFAA in-vitro Cc1ncc(CN(CC(=O)O)C(=O)c2cc3ccccc3s2)[nH]1 1772700923 JUYDFZVSUIWEHD-UHFFFAOYSA-N 329.381 2.660 0 50 EFAA CO[C@@H](C[C@H](OC)n1nnc2ccccc21)n1nnc2ccccc21 5356214 RXQRKOYGDKYFNW-IRXDYDNUSA-N 338.371 2.556 0 50 EFAA CSc1nnc(CN(C)Cc2ccsc2)n1C[C@@H]1CCCO1 11784055 LRLRJQSEROYBKQ-ZDUSSCGKSA-N 338.502 2.873 0 50 EFAA CN(C[C@@H]1CCCN1C)C(=O)c1coc(COc2ccc(F)cc2)n1 12571582 SXEZPMMBSHGQFH-AWEZNQCLSA-N 347.390 2.559 0 50 EFAA CCn1nc(C)c(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1C 12714810 ICTNHAPXWGMDMY-MRXNPFEDSA-N 328.464 2.543 0 50 EFAA Cc1cc(O[C@@H](C)C(=O)N2CCC3(CC2)OCCO3)ccc1Cl 13325969 KOAGRLHJOBJZSP-ZDUSSCGKSA-N 339.819 2.781 0 50 EFAA CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 14948004 RSOOOESWDXYLMS-IBGZPJMESA-N 332.419 2.967 0 50 EFAA CCn1nc(C)c(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1C 15076385 NWSMERCEHOSFJE-HXUWFJFHSA-N 344.503 2.744 0 50 EFAA O=c1nc(Cl)[nH]c2cc(Cl)c(I)cc12 167038582 GNNMKNONLRNPFO-UHFFFAOYSA-N 340.935 2.835 0 50 EFAA Cn1nccc1[C@@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 1857528799 BPPSQAURGWZWBS-FGTMMUONSA-N 335.407 2.527 0 50 EFAA Fc1ccc([C@@H](N[C@@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 225473002 WKUXYLDTZXOUIK-ZIAGYGMSSA-N 342.340 2.864 0 50 EFAA Cc1cccc(N2CCC(NC(=O)[C@H](N)CC3CCCCC3)CC2)n1 423431366 QMGSLAAKMWBOSF-GOSISDBHSA-N 344.503 2.773 0 50 EFAA Cn1ncc2c(N)nc(N3C[C@@H](c4ccccc4)C4(CCC4)C3)nc21 334111096 BWDWRSJSMAEAIE-HNNXBMFYSA-N 334.427 2.720 0 50 EFAA C[C@@H]1CCCC[C@H]1N(C)C(=O)CS(=O)(=O)c1ccc(F)cc1 131686850 JPMVGSMOMKFQNB-IUODEOHRSA-N 327.421 2.637 0 50 EFAA O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@@H](Cn2ccnn2)C1 253428968 RPMIZYRNAXLPJE-KBAYOESNSA-N 339.443 2.646 0 50 EFAA CC(C)(C)C[C@H](O)CC(=O)N1CCN(c2ncccc2Cl)CC1 362662796 JJEPYIOKPVIAMG-CYBMUJFWSA-N 339.867 2.571 0 50 EFAA CCn1nc(C)c(C(=O)N2CCC(c3nncn3C(C)C)CC2)c1C 264803375 ULRHTBXFGWGHDZ-UHFFFAOYSA-N 344.463 2.712 0 50 EFAA O=C(NCCn1c2ccccc2c2ccccc21)[C@H]1C[C@H]1c1nc[nH]n1 390833560 JJQJUGOMNCFDJN-CVEARBPZSA-N 345.406 2.833 0 50 EFAA COCc1ccc([C@H]2COCCN2Cc2ccc(C(=O)O)s2)o1 903630894 IHQIOZPFOBYEQO-CYBMUJFWSA-N 337.397 2.759 0 50 EFAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNCc3cccc(C4CC4)c3)C2)n[nH]1 828131352 QBBGDKKTLROIKP-RCCFBDPRSA-N 326.444 2.635 0 50 EFAA OCCN1CCC[C@@H]2[C@@H]1CCN2Cc1csc(-c2cccs2)n1 934252764 PJTVMDODFSLLEY-CABCVRRESA-N 349.525 2.903 0 50 EFAA O=C(NCCc1ccon1)c1cc(Br)cnc1C1CC1 935067373 DEWUXCRYRJZWGA-UHFFFAOYSA-N 336.189 2.682 0 50 EFAA Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(Br)cc12 5028166 QJHUHCHPUMHUJC-UHFFFAOYSA-N 337.217 2.891 0 50 EFAA O=C(c1cccc(OC(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100480211 AJBDFEIPSNZYKK-UOJUARBOSA-N 329.318 2.961 0 50 EFAA Cc1nc(NC(=O)[C@H]2CN(C)CCO2)cc(-c2ccccc2)c1C 2100482322 QQJJCTTVCXPISZ-QGZVFWFLSA-N 325.412 2.635 0 50 EFAA Cc1ccc(-c2nn(C)cc2CNC[C@@H]2NCCc3ccccc32)o1 843126813 WVNFKRMKBIBESW-SFHVURJKSA-N 336.439 2.965 0 50 EFAA Cn1cc([C@@H](NC(=O)c2ccc3c(c2)CCNC3)c2ccccc2)cn1 2325856183 FAAIXXLHDFXWTE-FQEVSTJZSA-N 346.434 2.585 0 50 EFAA Cc1ccc2nc(CN[C@@H]3CCCc4c(O)cccc43)cc(=O)n2c1 957003921 CYWZISCMJUZOLI-QGZVFWFLSA-N 335.407 2.876 0 50 EFAA C[C@@H](CS(=O)(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 222121405 QCJAVXNUVWAWMU-GOEBONIOSA-N 333.457 2.723 0 50 EFAA CC(=O)NC1CCC(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 133707541 PYAOTRVATXGGQH-VKYMVXLJSA-N 338.398 2.832 0 50 EFAA CC1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 44870 BXGWJULSAVJRMO-INIZCTEOSA-N 328.412 2.566 0 50 EFAA Cc1nonc1C(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 11945403 HBFISNIIEBQTOG-LBPRGKRZSA-N 343.431 2.909 0 50 EFAA O=c1cccc2n1[C@H]1C[C@@H](C2)CN(C(=S)Nc2ccccc2)C1 279722 HXLNIPXURVEXKP-CJNGLKHVSA-N 325.437 2.664 0 50 EFAA C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 299735 NKNFPVOPLUIORL-CYBMUJFWSA-N 334.375 2.651 0 50 EFAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 452773 JJCBRYPFJKZMMW-UHFFFAOYSA-N 331.372 2.911 0 50 EFAA COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 458617 NBFLUBRZMCHEQH-GFCCVEGCSA-N 329.352 2.888 0 50 EFAA CC(C)Cc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 246097273 MKJRUGXYJBDPOH-CYZMBNFOSA-N 336.461 2.816 0 50 EFAA CCOc1cc(-c2nnn(Cc3ccc(F)cc3)n2)ccc1OC 10337740 DNEDIIZQLDZMEQ-UHFFFAOYSA-N 328.347 2.935 0 50 EFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCN1CCNC1=O 55568899 OEPNFEASPNPXGP-UHFFFAOYSA-N 347.802 2.663 0 50 EFAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 8479630 SRHBDVFWESVSRB-QGZVFWFLSA-N 339.395 2.673 0 50 EFAA COc1ncnc(OC)c1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 171834770 QVSNNHNZACFHDF-UHFFFAOYSA-N 340.339 2.710 0 50 EFAA CCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 9224777 YGQZQJODLZGDGM-LBPRGKRZSA-N 344.440 2.970 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccccc1 9426839 NBQNTSVIHQWHBG-UHFFFAOYSA-N 340.408 2.919 0 50 EFAA CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C2CCCC2)[nH]n1 345532691 HIUQNRLIVOBUKC-UHFFFAOYSA-N 347.440 3.113 0 50 EFAA COc1ccccc1CCNc1nc(NCCO)c2ccccc2n1 29078713 WPYIVJLVWXONPG-UHFFFAOYSA-N 338.411 2.697 0 50 EFAA CCN1CCC[C@H](CNC(=O)c2cc(-c3cccs3)nn2C)C1 67817542 ICMKRBHNFBDOOK-CYBMUJFWSA-N 332.473 2.610 0 50 EFAA CC(=O)NCC[C@@H]1CN(Cc2cccc3c(C)c(C)[nH]c23)CCO1 67805843 PBVATPFVKDNEAP-QGZVFWFLSA-N 329.444 2.512 0 50 EFAA OCC[C@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccccc1F 20599384 HFHLJYCBJLBHSO-SFHVURJKSA-N 344.430 2.600 0 50 EFAA CCc1cnc(C)nc1N1CCC2(CC1)Nc1ccccc1NC2=O 65527335 UXZVHKBZDDBCAU-UHFFFAOYSA-N 337.427 2.751 0 50 EFAA CCn1ncc(CN2CC[C@@H](CNC(=O)c3ccsc3)C2)c1C 67641735 PUPLJVYJTWXTOS-AWEZNQCLSA-N 332.473 2.525 0 50 EFAA CCO[C@@H]1C[C@](CO)(N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1(C)C 252585304 HQXJGRMJUBDNLS-WQZMEWCLSA-N 346.515 2.978 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](CO)C[C@H]2C)cnn1-c1ccccc1F 354244336 QXWMRDKYULNQKY-TZMCWYRMSA-N 331.391 2.553 0 50 EFAA COc1cc([C@@H]2CC(=O)Nc3cc4[nH]ncc4cc32)cc2c1OCO2 65375336 PYIBREZPQLUVTK-NSHDSACASA-N 337.335 2.774 0 50 EFAA CCO[C@H](CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)C(C)C 230096854 FXTIOJDINQZCMX-BRWVUGGUSA-N 325.497 2.563 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)N[C@@H]1CCO[C@H]1C1CC1 253428793 LQSIVMWSIVRTDT-WBVHZDCISA-N 326.400 2.870 0 50 EFAA O=C(C1CCC1)N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 215079764 MSNSPMQRHIHKEM-GOSISDBHSA-N 326.440 2.577 0 50 EFAA Cc1ncc(C(=O)NC[C@@H](c2ccccc2)C2CCCC2)c(=O)[nH]1 218797847 PVNGIXBMJNLYHE-INIZCTEOSA-N 325.412 2.782 0 50 EFAA CCN1CC[C@H](NC2CCN(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 123696474 VGCPTLVXNDXEMQ-WMZOPIPTSA-N 341.421 2.923 0 50 EFAA Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c2cccc(Cl)c2n1 215046134 ZKWQXFMHDMVQCF-MRXNPFEDSA-N 345.830 2.793 0 50 EFAA CCC(CC)C(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528463 GJRPHHQBDTUKBE-UHFFFAOYSA-N 345.491 2.552 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)CCc2ccc3ccccc3n2)C1 365895632 MYSQWDKPVSULSA-MRXNPFEDSA-N 334.423 2.917 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 366033620 NXZXPPUIVCTPSS-MRXNPFEDSA-N 336.395 2.960 0 50 EFAA Cn1cc(NC(=O)CN2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 72152325 LBKKMMIOTVGIFW-MRXNPFEDSA-N 344.434 2.843 0 50 EFAA COc1cc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)ccn1 77342624 ZSMPBXNSNBUUJV-SFHVURJKSA-N 340.423 2.546 0 50 EFAA Cc1nnc(Sc2cc(C(F)(F)F)nc3ncnn23)n1C(C)C 490092348 MPRIJMDPDXUDSO-UHFFFAOYSA-N 343.338 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IXVBSOBEHKGMRV-UHFFFAOYSA-N 332.787 2.782 0 50 EFAA Cn1c(CN2CCC[C@]23CCCN(C2CC2)C3=O)nc2ccccc21 2356165674 FPQQRUZZIAJDCD-HXUWFJFHSA-N 338.455 2.693 0 50 EFAA O=C(O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 4867550 LYAJDVDLNSVCKB-UHFFFAOYSA-N 332.400 2.943 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC[C@H]1C(F)F 344002143 USPQKYIDQRJQPQ-HNNXBMFYSA-N 334.370 2.854 0 50 EFAA Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)n2ncnc2n1 110627409 QJLQQKPCMNBFNY-XJKSGUPXSA-N 342.472 2.989 0 50 EFAA CC[C@]1(C(=O)Nc2ccc3ccn(CCN(C)C)c3c2)CCCN1 134609071 CAAOSSJVUZELSV-LJQANCHMSA-N 328.460 2.674 0 50 EFAA COc1ccc(F)cc1[C@H]1CC(=O)NCc2nc3sccn3c21 65380992 DTNWHPSWTRTRBK-LLVKDONJSA-N 331.372 2.695 0 50 EFAA CCCN1CCN(C(=O)c2coc(COc3ccccc3F)n2)CC1 55269615 MOAITCAHCJWPPT-UHFFFAOYSA-N 347.390 2.561 0 50 EFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099542 XOFUUWNXQKLPDX-GASCZTMLSA-N 326.396 2.529 0 50 EFAA COc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(OC)c1 21806786 MKXNBVUJYFQQHK-UHFFFAOYSA-N 329.278 2.708 0 50 EFAA CC(C)CC(=O)NCc1cccnc1N(C)CCc1ccccn1 67742291 AAWHJEGXAGUAJZ-UHFFFAOYSA-N 326.444 2.818 0 50 EFAA Nc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1 22737914 NNWJEHBPNRVBPN-LLVKDONJSA-N 338.433 2.715 0 50 EFAA Cc1ccc(NC(=O)Cc2nc3c([nH]2)CC(C)(C)CNC3=O)c(C)c1 65528789 VHLVAKMMNVSWJB-UHFFFAOYSA-N 340.427 2.520 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)C[C@@H](C)O1 229779583 CMIKXTLAEMNMNL-GQIGUUNPSA-N 342.483 2.889 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)NCC2([S@@](C)=O)CCC2)cs1 281519162 KRCIDIVOVYCRRZ-MCMMXHMISA-N 341.502 2.599 0 50 EFAA C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)n1cnc2ccccc21 324637166 WFKBVSHWADGVDY-KBPBESRZSA-N 329.400 2.701 0 50 EFAA C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl 252667672 DEYLGRZWIRMGQG-TVQRCGJNSA-N 349.283 2.754 0 50 EFAA O=C([C@H]1CCc2ccccc2C1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 327080149 GFFVCHQDCOVVMY-BBRMVZONSA-N 341.329 2.657 0 50 EFAA C[C@H](OCC1CC1)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 328642575 RDDSFNRXLYUGRK-LPHOPBHVSA-N 345.487 2.710 0 50 EFAA CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328629767 IQKAFGDBVAACTE-KBPBESRZSA-N 338.448 2.878 0 50 EFAA c1ccc(-n2ccc(CNc3ncnc4c3ncn4C3CC3)n2)cc1 431032558 CXKCGTWNJFPWTK-UHFFFAOYSA-N 331.383 2.959 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cn3c(C)cccc3n2)c1 282221280 OXAFWQAZYFYUPX-HKUYNNGSSA-N 337.423 2.959 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(Cl)cn2C)c1 282555150 QYHAKGFDCXMSLX-ZFWWWQNUSA-N 334.803 2.635 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)n1)N[C@@H]1c2ccccc2C[C@H]1O 123581741 DZJWDJNBFWSDDD-BXUZGUMPSA-N 337.301 2.880 0 50 EFAA O=C(c1cccc[n+]1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 123951781 JTFZFRIDYHCNBV-MJGOQNOKSA-N 340.423 2.829 0 50 EFAA CCCn1ccnc1CNC(=O)Cc1nc2ccc(Cl)cc2[nH]1 215461862 SPWMMMTXPPMCBF-UHFFFAOYSA-N 331.807 2.682 0 50 EFAA O=C(CCN1CCN(C(=O)C2CCC2)CC1)Nc1ccc(Cl)cc1 77381467 VVSLSHVKEAYDAT-UHFFFAOYSA-N 349.862 2.613 0 50 EFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)N(C)C)ccc1Br 253429808 DIFMVSGJXLIHEB-ZDUSSCGKSA-N 347.278 2.701 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc2ccccn2c1 152172535 GOTLEEUELLEOCT-LJQANCHMSA-N 347.418 2.860 0 50 EFAA CO[C@H]1CCCC[C@@H]1NCc1nc(O)c2c3c(sc2n1)CCC3 361747931 PNLPGPRRYNNIAE-RYUDHWBXSA-N 333.457 2.933 0 50 EFAA O=C(c1cn(Cc2cccs2)nn1)N1CCCc2ccccc2C1 173116115 TURAOHJLIFMQCQ-UHFFFAOYSA-N 338.436 2.977 0 50 EFAA COCc1ncc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)cn1 72447331 HXTQWUIBGSSEEJ-SFHVURJKSA-N 339.439 2.647 0 50 EFAA Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2oc(C)nc2C)o1 175060142 VQIORECAUHZWOU-OAHLLOKOSA-N 338.367 2.923 0 50 EFAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCC(C)C)C1 72157102 RDLOTXQJEFXYQX-UHFFFAOYSA-N 339.443 2.901 0 50 EFAA CN1[C@H]2CC[C@H]1CN(Cc1ccc(OC[C@@H]3CCCO3)cc1)CC2 241287051 LJKODUISRXZHBF-BJLQDIEVSA-N 330.472 2.913 0 50 EFAA COC(=O)c1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)o1 367058919 ZFVOLZRNAVBELF-CQSZACIVSA-N 343.427 2.979 0 50 EFAA NC(=O)[C@@H]1CCC[C@@H]1Nc1cc(-c2ccccc2F)nc2ccnn12 72476346 KMUOFSDHAHXTOB-OCCSQVGLSA-N 339.374 2.601 0 50 EFAA Cc1nc2ccccn2c(=O)c1CCN[C@@H]1CCc2ccccc2OC1 368595638 XPQAJXCZUDNHES-QGZVFWFLSA-N 349.434 2.529 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2C(=O)N2CC=C(c3ccccc3)C2)cnn1C 368740700 JBCVBKXFBZWUTM-HKUYNNGSSA-N 337.423 2.732 0 50 EFAA Cc1cc(C)c(CN(C)[C@H]2COC[C@@H]2O)cc1CN1CCC(C)CC1 215344376 JYEUHOULWJNQRX-SFTDATJTSA-N 346.515 2.727 0 50 EFAA CSCCc1ccc(NC(=O)N2CC[S@@](=O)CC[C@@H]2C)cc1 241774164 RNPIZQXINFRVKA-XMHCIUCPSA-N 340.514 2.967 0 50 EFAA COC(=O)c1cnccc1C(=O)N[C@@H](C)c1c(F)cccc1OC 242048082 VSNOZWPXFAOKSA-JTQLQIEISA-N 332.331 2.507 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCO1 262941510 HSKGNSLWPMTLBK-PBHICJAKSA-N 345.439 2.981 0 50 EFAA CCCCSCc1cc(C(=O)N2CCC[C@@](O)(CO)C2)oc1C 72151752 SYGGTMMVQAMFMI-KRWDZBQOSA-N 341.473 2.581 0 50 EFAA Cc1nc2ccccc2nc1CN1CCC(O)(c2cccnc2)CC1 215063448 PBERUNDJHHQDAK-UHFFFAOYSA-N 334.423 2.817 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)Cn3cc(C)cn3)C2)cc1 77356009 YCYCGZUQHUCAEI-MRXNPFEDSA-N 343.427 2.518 0 50 EFAA O=C1CNc2ccc(C(=O)N3CCCC[C@H]3c3nccs3)cc2N1 215994846 HDDXCGZVWJPKAJ-AWEZNQCLSA-N 342.424 2.875 0 50 EFAA Cc1nccn1CC(=O)Nc1c(F)cc(F)cc1Br 174113845 WROUXOBXAKAZID-UHFFFAOYSA-N 330.132 2.871 0 50 EFAA CC1(C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)CCCCC1 48218418 WTOOQHJUFZTVNO-UHFFFAOYSA-N 333.480 2.606 0 50 EFAA CC[C@@](NC(=O)c1cnn(C(C)C)c1C)(C(=O)O)c1ccccc1 263275515 QJJYFSDVPXIRMG-SFHVURJKSA-N 329.400 2.892 0 50 EFAA Cc1ccc(C(C)C)c(OCCNC(=O)[C@@H]2CC(=O)OC2(C)C)c1 226848826 XBNRFJYKRUXRRL-HNNXBMFYSA-N 333.428 2.955 0 50 EFAA O=C(Cn1ccc2ccccc21)N1CCN(Cc2ccccc2)CC1 44450202 RPRHSLXXDVPSBB-UHFFFAOYSA-N 333.435 2.986 0 50 EFAA O=C([C@@H]1Cc2ccccc2S1)N1CCOc2ccc(CO)cc2C1 426526532 XCJQEJCEUCSKTM-SFHVURJKSA-N 341.432 2.617 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 239310110 ICRYGXWBPUOMHG-RANZSIQMSA-N 335.334 2.785 0 50 EFAA CSc1ncc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1C 95390829 BWBQAGVJECAPHW-UHFFFAOYSA-N 341.440 2.632 0 50 EFAA COc1cccc(OCCCN(C)C(=O)C(C)(C)N2CCCC2)c1 426581253 NQWWPDWCUGDXBD-UHFFFAOYSA-N 334.460 2.797 0 50 EFAA CC(C)c1cc(NC[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1 95381978 DANBUROVFZCEFE-CYBMUJFWSA-N 325.416 2.647 0 50 EFAA CC1(C)CN(C(=O)c2cnc3cnccc3c2)C[C@@H](C(F)(F)F)O1 293707303 LOVDGQVAGUKNFU-ZDUSSCGKSA-N 339.317 2.812 0 50 EFAA Cc1cc(C)n(-c2cccc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)c2)n1 91770126 NIBBQFPZPLVJKU-VQIMIIECSA-N 338.455 2.655 0 50 EFAA CCCc1nnc(N2CCC(C(=O)NCCc3ccccc3)CC2)o1 95512736 VGDRULFWQKTQII-UHFFFAOYSA-N 342.443 2.597 0 50 EFAA Fc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1 22851694 XMJORVCLWKQPKN-GOSISDBHSA-N 329.419 2.671 0 50 EFAA O=C(CCc1ccsc1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91894235 IKSJVPGOCUXQHA-JKSUJKDBSA-N 342.468 2.598 0 50 EFAA Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)C(F)(F)C(F)F)o1 267232954 GYOZKTGTXLDDAI-NSHDSACASA-N 343.280 2.904 0 50 EFAA COc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](c3ccc(C)cc3)C2)ccn1 95512550 MLMLDIRIIZUOOC-ZWKOTPCHSA-N 339.439 2.568 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1=O 181573799 JXUYQWMFFAZFEA-HZSPNIEDSA-N 327.405 2.920 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccoc2C)[C@H]2C[C@@H](O)C2)cc1F 244678504 IEUIJNYSHPXOPL-IIYDPXPESA-N 333.359 2.978 0 50 EFAA O[C@H]1C[C@@H](c2cc(NCCCc3nc4cc(F)ccc4[nH]3)ncn2)C1 244719207 LYSRXJOOFZDDAZ-BJHJDKERSA-N 341.390 2.775 0 50 EFAA COc1ccc(Br)c([C@H](CO)N(C)C(=O)C=C(C)C)c1 296839520 IBUTYVYAXLIVMR-AWEZNQCLSA-N 342.233 2.916 0 50 EFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 253411819 PEDJMXVHGYZJPT-QFBILLFUSA-N 338.455 2.966 0 50 EFAA biogenic O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1coc(Br)c1 299388456 ZNDSTUZYBGNKLG-IEBDPFPHSA-N 342.189 2.900 0 50 EFAA O=C(CCc1nc(O)c2ccccc2n1)Nc1ccc(Cl)nc1 252507961 WYNKWIUYQPAAHZ-UHFFFAOYSA-N 328.759 2.955 0 50 EFAA O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cnccn1 979474120 DVWPZNBHUJFAOX-FGTMMUONSA-N 336.439 2.507 0 50 EFAA Fc1ccc(CN2CCC3(CC2)CNCCO3)cc1C(F)(F)F 534587844 MLCVNZPVRMXRQJ-UHFFFAOYSA-N 332.341 2.799 0 50 EFAA O=C(Cc1ccc(O)c(Cl)c1)NCC[C@H]1COc2ccccc2O1 631894381 SGOHUPLOBCWBNL-ZDUSSCGKSA-N 347.798 2.934 0 50 EFAA CCc1nccn1CCC(=O)N1CCCC[C@H]1CCn1cccn1 823557417 QEPSEPUBFZKHLQ-INIZCTEOSA-N 329.448 2.504 0 50 EFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)c2cscn2)c1 824313203 UYLBAXYYFFKFTM-UHFFFAOYSA-N 325.777 2.634 0 50 EFAA C=CC(=O)N(C)CC(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 862020677 WOJWASSBOJMZGV-HNNXBMFYSA-N 330.428 2.501 0 50 EFAA CC1(C)CCCN1C(=O)Cn1cc(Cn2ccc3ccccc32)nn1 1875282713 PKUYANSOOQDJDQ-UHFFFAOYSA-N 337.427 2.682 0 50 EFAA CCS(=O)(=O)CCCSCc1ccc(C(=O)OC)cc1OC 1875264455 OLUMEAHCRMLWMS-UHFFFAOYSA-N 346.470 2.540 0 50 EFAA CC1=C(C(=O)N[C@H]2CCN(C(=O)c3n[nH]cc3C3CCC3)C2)CCC1 1875345126 SIWMAIKPFRTZPJ-AWEZNQCLSA-N 342.443 2.508 0 50 EFAA O=C(NCc1cnn(CC2CCC2)c1)N[C@@H]1COCc2ccccc21 895403455 GCVDGICXOAGTNP-GOSISDBHSA-N 340.427 2.754 0 50 EFAA O=C(NCc1ccc(F)cc1Br)NC1CC(CCO)C1 1774682455 HZTUKFUCRCAVCX-UHFFFAOYSA-N 345.212 2.548 0 50 EFAA C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cc(F)c(Br)cc1F 899793961 DGJXDPGMGYVPHR-NJUXHZRNSA-N 348.143 2.625 0 50 EFAA CC(C)(C)C(=O)N1CCC(Cn2nnc(-c3ccsc3)n2)CC1 185685247 SBVAHBJWMGRGOY-UHFFFAOYSA-N 333.461 2.686 0 50 EFAA COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)C1CC1 272199709 XTZUWZVWXUDRII-MRXNPFEDSA-N 333.819 2.989 0 50 EFAA C[C@@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)C1=CCN(C)CC1 272698766 FCSLPDUATCQFSY-CYBMUJFWSA-N 344.434 2.799 0 50 EFAA C[C@@H]1C[C@@H](CCNC(=O)c2cccc(OCC(F)F)n2)CCO1 273468795 FDDOWLYFBDCSNI-NEPJUHHUSA-N 328.359 2.661 0 50 EFAA CCc1ccc2occ(C(=O)N[C@H](CCSC)c3nn[nH]n3)c2c1 408517369 DCAVVHBWHISUGT-CYBMUJFWSA-N 345.428 2.733 0 50 EFAA CSCCCNC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 408519024 SRMYMKBSAVUUST-GFCCVEGCSA-N 325.482 2.918 0 50 EFAA C[C@@](O)(CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 170072273 NGHIHKZDLVPNRA-HXUWFJFHSA-N 340.423 2.760 0 50 EFAA Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)cc(C)c1F 278718964 KWFHSZHWAJGJDI-UHFFFAOYSA-N 326.322 2.571 0 50 EFAA COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc([S@](C)=O)cc1 170591429 VXYHPFBJOOHMGJ-KOSHJBKYSA-N 343.448 2.696 0 50 EFAA CCCc1cc(NC(=O)Nc2ccn(CC(F)(F)F)n2)n(C)n1 170612218 NZLUPXIFVALTOW-UHFFFAOYSA-N 330.314 2.775 0 50 EFAA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cncc(C)c2)c1 188620260 OVUYHQTWHNPYSV-WBVHZDCISA-N 326.396 2.827 0 50 EFAA COCc1nc(N[C@H]2CCOc3cc(OC)ccc32)cc(OC)n1 681234516 URNKCBANXBSKSW-ZDUSSCGKSA-N 331.372 2.576 0 50 EFAA O=C(CN1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc2c(c1)CCC2 662235222 PLVPXZKOGZXHEF-HNNXBMFYSA-N 342.361 2.767 0 50 EFAA Cc1ncsc1CN[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 699697059 SEADTDHVVHHDPK-DGCLKSJQSA-N 341.477 2.566 0 50 EFAA O=C(c1cc2c(F)cccc2s1)N1CCOC[C@H]1c1ncon1 778952671 UJXFDZICVVJQFP-NSHDSACASA-N 333.344 2.637 0 50 EFAA Cc1nc(N2CCC([C@H](O)c3cccs3)CC2)c2cnn(C)c2n1 1506406437 IQUCDYOQPQJUHU-HNNXBMFYSA-N 343.456 2.683 0 50 EFAA CCC(CC)n1nccc1NC(=O)[C@H]1Cc2ccccc2C(=O)N1 1529168377 BKZHGFMKOFFZEE-OAHLLOKOSA-N 326.400 2.537 0 50 EFAA CN(C(=O)c1csc2ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704301154 MWJJYSXIBPUNGU-FRRDWIJNSA-N 328.437 2.888 0 50 EFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1onc2ncccc12 1775983883 UUBITHXHCNWJJS-UHFFFAOYSA-N 335.323 2.545 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 1772703880 GAYCVYQTSLJKIT-KOLCDFICSA-N 325.771 2.706 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3CCCN3C(=O)[C@H]2C)c1 1772709588 OPAGWVMQAMBKLL-NVXWUHKLSA-N 338.455 2.889 0 50 EFAA COc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1Cl 11866021 GVWIAJVIYDFXHD-LLVKDONJSA-N 336.819 2.760 0 50 EFAA CCN(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 11935997 SGVWQKUTYHMJJQ-UHFFFAOYSA-N 349.500 2.760 0 50 EFAA CCNc1ncnc2sc(C(=O)NCCCOC(C)C)c(C)c12 14878974 VLBZVXMBTHBZFI-UHFFFAOYSA-N 336.461 2.976 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C1CCC1 16604669 NENQUMPAGLZNTO-UHFFFAOYSA-N 344.436 2.904 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2CNC(=O)Cc2ccccc2Cl)cn1 1857530927 OBSFVOBEFVYUFG-DYVFJYSZSA-N 333.819 2.510 0 50 EFAA CCOc1cc2c(cc1CN1CCN3C(=O)OC[C@@]3(CC)C1)CCC2 1857677018 PKQCOGFFLMNNRE-HXUWFJFHSA-N 344.455 2.991 0 50 EFAA C[C@@H]1Oc2ccc(-n3ccnc3-c3cnsc3)cc2N(C)C1=O 1857687851 IERBDNAQMXVVAR-JTQLQIEISA-N 326.381 2.740 0 50 EFAA COCCn1cncc1Cn1ccnc1-c1ccnn1-c1ccccc1 1857699196 RCZABGABGSOIHO-UHFFFAOYSA-N 348.410 2.627 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c(F)c1F 1857725325 QDUWUVRUOXXEQF-VNHYZAJKSA-N 338.398 2.501 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H]2CCOC3(CCC3)C2)c(F)cc1F 333739117 VIYXRAXMVWEBHZ-GFCCVEGCSA-N 345.411 2.901 0 50 EFAA CSc1nc(C)c(CCC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c(C)n1 225404763 OKIYTTKEIWXLRL-YXAMBPQSSA-N 331.485 2.909 0 50 EFAA CN(C)C[C@H]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C1 332199762 RFWOHPZLNFHOLB-GFCCVEGCSA-N 331.445 2.621 0 50 EFAA COc1cc(CC(=O)N2CCOc3c(F)cccc3C2)ccc1O 451299883 TXNYVKCWBIMUAR-UHFFFAOYSA-N 331.343 2.504 0 50 EFAA Cn1cccc1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 343826785 FXEYEFHKJJTXHR-INIZCTEOSA-N 328.412 2.724 0 50 EFAA Cc1ncc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1C 668163880 JYLUZONKKGFPNW-CYBMUJFWSA-N 346.862 2.964 0 50 EFAA Cc1nc(CNC(=O)c2csc(C(C)(C)C)n2)sc1C(=O)O 679401667 RHZCVOXREWPNLM-UHFFFAOYSA-N 339.442 2.834 0 50 EFAA COc1cc([C@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC 22125050 AEBSPPODFOQFNP-IBGZPJMESA-N 342.439 2.707 0 50 EFAA in-vitro Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 363561255 WQNLLWAAHBCOTJ-IRXDYDNUSA-N 340.471 2.929 0 50 EFAA Cc1c(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cnn1C 363661462 RJIMEPUGOWZYEF-CYBMUJFWSA-N 332.835 2.638 0 50 EFAA O=C(CCOc1ccc2ccccc2c1)N1CC(F)(F)C[C@@H]1CO 366000889 LHXKHPODMZUVLO-OAHLLOKOSA-N 335.350 2.837 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCCN(c3ccccc3F)CC2)c1 911678577 KTUVYEPIAUABCI-UHFFFAOYSA-N 342.370 2.876 0 50 EFAA O=C(NC1CC1)c1cccc(NC(=O)[C@H](O)c2ccccc2Cl)c1 813388113 KUKJWYJZOFDQDE-MRXNPFEDSA-N 344.798 2.904 0 50 EFAA Fc1cccc(-c2nnc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)o2)c1 831364419 PKYKOQDGKRTAQZ-FVQBIDKESA-N 329.375 2.923 0 50 EFAA FC(F)(F)c1ccc(OC2CCN(Cc3cnsn3)CC2)nc1 932231190 XEHYQUTYXSZAQT-UHFFFAOYSA-N 344.362 2.995 0 50 EFAA CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]cc1Cc1ccccc1)CC2 932885905 QWDSRCBHTZFFTM-MRXNPFEDSA-N 349.438 2.504 0 50 EFAA O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccccc1 4833162 YBVVFQCPLJFWBA-UHFFFAOYSA-N 333.185 2.818 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H]1C[C@]1(C(=O)O)C(C)C 899780878 JYWKSLVNKJIWCQ-FVMIAERFSA-N 335.448 2.871 0 50 EFAA Cc1cc2c(c(SCC(=O)NCCc3ccccc3)n1)C(=O)OC2 111514 FLYQWNCGBQMCRT-UHFFFAOYSA-N 342.420 2.511 0 50 EFAA O=C(c1cc(F)cc2cnccc12)N1CCC[C@H]([C@@H]2CCCN2)C1 2325786329 CMVZXQPJNGJRIX-UGSOOPFHSA-N 327.403 2.978 0 50 EFAA C[C@@]1(NCc2nc3ccc(Br)cc3o2)CCC[C@@H]1O 2325798763 YOOVAGFBUQRBJA-GXTWGEPZSA-N 325.206 2.983 0 50 EFAA N[C@@H]1CCc2nc(C(=O)Nc3ccc4ccc(Cl)cc4n3)cn2C1 2325856572 VTRWRKOYXXTBLN-GFCCVEGCSA-N 341.802 2.611 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)OCc1ccc(F)cc1 151106 TUAOTCDEZZNQDK-UHFFFAOYSA-N 327.311 2.555 0 50 EFAA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 184393 HEMLHOZTHHKXFK-NEPJUHHUSA-N 340.305 2.651 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2F)c1 304515 IETXNAIJSRSTAL-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F 621031 SDOQMZYXOLLNIH-UHFFFAOYSA-N 344.317 2.980 0 50 EFAA CC(C)OCCCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 2856767 FBIGNUBRKTULNM-AWEZNQCLSA-N 342.823 2.527 0 50 EFAA CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)OC)cc1)C(F)(F)F 2900765 LUHMCGKJMJCURM-AWEZNQCLSA-N 349.305 2.592 0 50 EFAA COc1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1F 2356153487 JCRPTHDTXCCGOH-SFHVURJKSA-N 329.375 2.678 0 50 EFAA CCC(=O)NCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356161647 CXOBQQPWPXBYKZ-UHFFFAOYSA-N 337.763 2.631 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCC1 6271423 XVNFDIFWZNGDAO-UHFFFAOYSA-N 336.457 2.990 0 50 EFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C)c2)C1 347953889 UALFCCZMXIZLJD-GXTWGEPZSA-N 346.324 2.806 0 50 EFAA O=C(C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1 12314797 WUKSMACXHLPEPM-OAQYLSRUSA-N 337.419 2.713 0 50 EFAA Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1 111215937 XSJOPTJHJLKERR-OAHLLOKOSA-N 327.432 2.752 0 50 EFAA CN(C)C1CCN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)CC1 113882559 ROCYXEUOLUHSHZ-UHFFFAOYSA-N 348.397 2.532 0 50 EFAA COc1ccccc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20731620 UMUVQTGZJSVZDR-QFBILLFUSA-N 338.407 2.531 0 50 EFAA O=C(CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)NC1CCCC1 55568690 WCLORMRCZGCQTD-OAHLLOKOSA-N 343.349 2.640 0 50 EFAA COc1cccc(OC)c1CN[C@H]1COc2c(cccc2OC)C1 20783141 PLPODZUQLQLRJT-CQSZACIVSA-N 329.396 2.806 0 50 EFAA COc1ccc(F)c(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1 104315384 QAWPBASEYNSNAD-QGZVFWFLSA-N 338.467 2.749 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 55393215 LSAWPICOVXGXPR-CYBMUJFWSA-N 348.472 2.783 0 50 EFAA CCc1oc(C(=O)N[C@H](C)Cc2cnccn2)cc1CN1CCCC1 55088079 BDZLCZPFKKKDEE-CQSZACIVSA-N 342.443 2.589 0 50 EFAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)c1 100842505 VDCQPEPOOWUBBH-OTRWWLKZSA-N 337.375 2.731 0 50 EFAA Cc1c(NCc2cccnc2)cccc1C(=O)N1CC[C@@H](N(C)C)C1 55310141 OCTVIGDGGYPJEZ-QGZVFWFLSA-N 338.455 2.778 0 50 EFAA COc1cccc([C@@H]2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2O)c1 65434340 NDYLNVFPOKZIPX-PKOBYXMFSA-N 343.423 2.760 0 50 EFAA CC1(C)CNC(=O)c2nc(CC3CCN(C4CCCC4)CC3)[nH]c2C1 65398844 CIFAYCXVZAXDTL-UHFFFAOYSA-N 344.503 2.919 0 50 EFAA Cc1cc(C(=O)Nc2ccccc2F)ccc1N(C)S(C)(=O)=O 65365757 PMSAJUINNIDMLP-UHFFFAOYSA-N 336.388 2.782 0 50 EFAA NC(=O)c1ccc([C@H]2CCCN2Cc2ccc3c(c2)OCCO3)s1 23428753 HESKJIZSINHDSL-CYBMUJFWSA-N 344.436 2.955 0 50 EFAA COCCN1CCN(C[C@@H](O)c2cc(Cl)ccc2Cl)C[C@@H]1C 229384100 VTLGGAPYCISFJT-BLLLJJGKSA-N 347.286 2.679 0 50 EFAA COCc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)c1 119732318 CQRVDAAWKVIYHU-SFHVURJKSA-N 326.396 2.957 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)cc2)N(Cc2nncn2-c2ccccc2)C1 253394413 JQASUGPXOWJNTF-ZWKOTPCHSA-N 338.386 2.714 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cc(=O)c3ccccc3o2)C1 67820995 YNJAPNSPJJFQPP-OAQYLSRUSA-N 349.386 2.835 0 50 EFAA CN(CCc1noc(C2CC2)n1)C(=O)c1ccc2cccc(F)c2n1 65371555 FUHBQHYIASBTEL-UHFFFAOYSA-N 340.358 2.949 0 50 EFAA Nc1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 253432473 KNJYCDAIHUDZBK-NSHDSACASA-N 325.338 2.785 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CCO[C@H](CCN(C)C)C3)c2)n1 11842047 BAZSFEWFTWSRJM-HXUWFJFHSA-N 342.487 2.642 0 50 EFAA COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)C(C)C)c1 63522 HZYMEYNUYWMINN-AWEZNQCLSA-N 330.306 2.647 0 50 EFAA Cc1ccc(C(=O)N2CCc3ccccc32)cc1N(C)S(C)(=O)=O 65362725 GDFKXYRZRVOVNM-UHFFFAOYSA-N 344.436 2.594 0 50 EFAA Cc1nc(CC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cs1 328625021 KGUFADIYQBUWAR-YJBOKZPZSA-N 344.484 2.540 0 50 EFAA C[C@@]1(NCC(=O)O)CCN(Cc2csc(C3CCCCC3)n2)C1 328605078 MGPAUVIJWBOAFW-QGZVFWFLSA-N 337.489 2.829 0 50 EFAA CC(=O)Nc1ccc(F)c(C(=O)NC[C@@](C)(O)C2CCCCC2)c1 252484684 GEPPAKKXMGWMOE-GOSISDBHSA-N 336.407 2.845 0 50 EFAA Cc1cnn([C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 252474917 OQRIYWBDRSOXCP-JHJVBQTASA-N 335.839 2.806 0 50 EFAA O=C(NCC1(O)CCCCCC1)c1ccc(-c2nnc(S)o2)cc1 124248112 YERILXBTFODFGT-UHFFFAOYSA-N 347.440 2.840 0 50 EFAA COc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)ccc1F 219169773 LNYLYJQBUHQNKJ-KRWDZBQOSA-N 342.414 2.963 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)n1 72408803 YRUXZOMMVGTLIW-UHFFFAOYSA-N 341.455 2.901 0 50 EFAA CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CCC)c2ccccn2)C1 253405998 VAEXQDKCZWQEKB-HZPDHXFCSA-N 331.460 2.730 0 50 EFAA Cc1cc(CO)oc1C(=O)NCCOc1ccc(C(F)(F)F)cc1 253405192 IHCSMIMIOZWVST-UHFFFAOYSA-N 343.301 2.908 0 50 EFAA COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C)cc(F)c1 152933015 LCUDMDKHYFQREL-CYBMUJFWSA-N 333.367 2.529 0 50 EFAA Cc1cc(C(=O)N(C)Cc2ccoc2C)cc(C)c1OCC(=O)O 237182671 JUEQULNOPMBDJE-UHFFFAOYSA-N 331.368 2.940 0 50 EFAA Cc1cc(=O)c(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cn1C1CC1 376687218 LVZGXZOSPVBNME-QGZVFWFLSA-N 338.407 2.785 0 50 EFAA CCC(=O)C(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71750234 FWNSVWAJGZZEQN-KRWDZBQOSA-N 334.435 2.864 0 50 EFAA O[C@]1(c2ccccc2)CCCN(Cc2nnnn2-c2ccccc2)CC1 365980423 QCDHOJPHGOKBRW-HXUWFJFHSA-N 349.438 2.536 0 50 EFAA Cc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1cccc2ccnn12 72148852 PPJGCFGHMLXKQE-LBPRGKRZSA-N 340.358 2.539 0 50 EFAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@@H](O)[C@H](CO)C1 334038190 NTBFKEFZWGPNKU-XEBSJPFGSA-N 337.504 2.821 0 50 EFAA COc1ccc(-c2nc(CN3CCNC(=O)C3(C)C)c(C)o2)cc1C 14961982 RQLQOOACJWJLLQ-UHFFFAOYSA-N 343.427 2.677 0 50 EFAA CCS(=O)(=O)c1cccc(CC(=O)Nc2cc(Cl)ccn2)c1 124422815 XIYIFTZKVOEOEF-UHFFFAOYSA-N 338.816 2.710 0 50 EFAA CCc1ccccc1C(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 72151474 DXXWUDYNUIPGNU-KRWDZBQOSA-N 340.398 2.919 0 50 EFAA CNc1cc(C)nc(N[C@@H]2CCCN(CCc3ccccc3)C2)n1 72468609 OAROLNUIMXEFDR-QGZVFWFLSA-N 325.460 2.946 0 50 EFAA Cc1oncc1CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1 375353003 NTGVOLFHXVRJAJ-CYBMUJFWSA-N 326.360 2.550 0 50 EFAA COC(=O)c1sc(N2CC(OC)(c3ccccc3)C2)nc1Cl 376261616 DWDUNMHCLRCUMI-UHFFFAOYSA-N 338.816 2.945 0 50 EFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(c2ccncc2)C1 72163229 LQSIGZFLKLWVNH-UHFFFAOYSA-N 342.342 2.889 0 50 EFAA CCn1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)O)cn1 263039882 NHBNCZUKIAOFBL-RHSMWYFYSA-N 341.411 2.596 0 50 EFAA CN(Cc1cc[nH]n1)c1nc(CCc2ccccc2)nc2c1cnn2C 72166641 FBOGAZUNTZLOEL-UHFFFAOYSA-N 347.426 2.508 0 50 EFAA Cc1cccc(OCC(=O)N2CCc3[nH]nc(C4CC4)c3C2)c1C 48376275 BCNZPNZZRJYYBO-UHFFFAOYSA-N 325.412 2.868 0 50 EFAA Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)ccc2[nH]1 40267994 QEYPHKAFLXDJFL-CYBMUJFWSA-N 334.379 2.863 0 50 EFAA CNc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1 285458918 MVLJOOJREQNPPH-UHFFFAOYSA-N 329.375 2.698 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)COc1ccc(Cl)c2cccnc12 159894875 FWRVMJODHQROSP-ZDUSSCGKSA-N 348.786 2.733 0 50 EFAA CCc1nccn1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C)cc2)C1 288487624 YFOVJBFXJYMYGV-QGZVFWFLSA-N 347.484 2.921 0 50 EFAA CCc1cc(-c2cccc(-c3cc[nH]n3)c2)nc(N2CCOCC2)n1 82039408 UXDBYXURTQPOPM-UHFFFAOYSA-N 335.411 2.933 0 50 EFAA Cc1cccc2c1OC[C@H](NC(=O)Nc1cn(C)nc1C1CC1)C2 292073656 OWYFGPBPAKGVAK-CQSZACIVSA-N 326.400 2.731 0 50 EFAA CNC(=O)C1(NC(=O)NCc2cccc(SC)c2)CCCCC1 426533773 KEZGIUMMEMMWTI-UHFFFAOYSA-N 335.473 2.657 0 50 EFAA Cc1n[nH]nc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 194006322 JVBSQXGIKKOWCF-LBPRGKRZSA-N 341.198 2.634 0 50 EFAA COc1ccccc1OC(C)(C)C(=O)N1C[C@@H](N(C)C)[C@H](C(C)C)C1 95375646 DRUNBQNPVTZDNT-JKSUJKDBSA-N 348.487 2.897 0 50 EFAA CCn1c(C)nnc1SCCNC(=O)C[C@H]1CCc2ccccc21 91858829 YXDVRLXRIVRXQC-OAHLLOKOSA-N 344.484 2.935 0 50 EFAA COc1cc(CN2CCO[C@@H](c3cccnc3)C2)cc(OC)c1OC 97743400 RMOIFJWEUJCFTL-GOSISDBHSA-N 344.411 2.681 0 50 EFAA CC(C)[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)c1nccn1C 91781222 FNJPRYYNULGCFS-QGZVFWFLSA-N 328.391 2.888 0 50 EFAA CCn1cc(CN(C)C(=O)c2c(C)[nH]c3c2C(=O)CCC3)c(C)n1 426358627 RNFHOYADTXIXEJ-UHFFFAOYSA-N 328.416 2.639 0 50 EFAA O=C(NCC[C@H](c1ccccc1)c1ccco1)N1CCC(O)CC1 426527729 IFPZYTYZWUORFB-QGZVFWFLSA-N 328.412 2.968 0 50 EFAA O=C(NCCN1CCOC1=O)c1ccc(-c2ccccc2Cl)o1 91391463 OFZGHOKERIVLIE-UHFFFAOYSA-N 334.759 2.782 0 50 EFAA COc1ccc(Cl)cc1-c1nc(CCSC)nn1CCO 96142198 OVKFDQMDTRVSLX-UHFFFAOYSA-N 327.837 2.505 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 95391006 VVWJPDKGLWRVQW-INIZCTEOSA-N 334.851 2.654 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCc2ccc3c(c2)nc(C)n3C)C1 95357894 RMVCHHNCYXNTFK-IBGZPJMESA-N 328.460 2.620 0 50 EFAA Cn1ncnc1[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1 91745462 JLABWXQZIHECQK-DUKHMXAISA-N 328.460 2.989 0 50 EFAA Cn1ccnc1C1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 91535056 QLYSIEMTHYPMIW-QGZVFWFLSA-N 325.412 2.520 0 50 EFAA CSCc1nc(CCN2C[C@]3(CCOC3)CCC2=O)cs1 91724343 MWDZHTNTDPVPCN-OAHLLOKOSA-N 326.487 2.578 0 50 EFAA CC(C)c1nc(CN(C)c2nc3c(cc2C(N)=O)CCC3)cs1 96162549 NWKYLEKRDYOGDQ-UHFFFAOYSA-N 330.457 2.886 0 50 EFAA CCc1cc(-c2ccc(OC)cc2OC)nc(N2CCOCC2)n1 97785586 DHBPOBMCKVILJX-UHFFFAOYSA-N 329.400 2.560 0 50 EFAA O=C(NCc1noc(C2CC2)n1)C1=Cc2cc(Cl)ccc2OC1 244723889 MJKUNWDRFGACLT-UHFFFAOYSA-N 331.759 2.693 0 50 EFAA COc1cc(C)sc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252552089 UNPWOCYTBOXBTQ-HUBLWGQQSA-N 332.425 2.702 0 50 EFAA COC(=O)C[C@H](c1cccnc1)c1oc2ccccc2c(=O)c1O 253396316 AZIHZPZVAASPFX-CYBMUJFWSA-N 325.320 2.589 0 50 EFAA biogenic CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 284007008 PRMMOWCDECJOTQ-KGLIPLIRSA-N 327.446 2.831 0 50 EFAA O=C(O)C1(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CCC1 649242931 PESSYDHIHAGHOK-UHFFFAOYSA-N 326.356 2.543 0 50 EFAA COCC1(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)CCC1 299773100 DEPUXUJPYQGKML-UHFFFAOYSA-N 330.384 2.783 0 50 EFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1nnc2n1CCC2 827802467 NXRLDFCWYSXHCP-HNNXBMFYSA-N 336.395 2.656 0 50 EFAA COc1cccc2c1OC[C@@H](NC(=O)c1cnc3c(c1)CCCC3)C2 824804936 WTWNVTWEEAGMNW-INIZCTEOSA-N 338.407 2.703 0 50 EFAA Cc1nnc2ccc(N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nn12 269461626 YAYYQLXFTXBYPU-JKSUJKDBSA-N 341.390 2.664 0 50 EFAA C[C@H]1CN([C@@H](CNc2ncnn3cccc23)c2cccs2)CCO1 1875294346 FNTBVANQJYKTCE-ZFWWWQNUSA-N 343.456 2.665 0 50 EFAA CCn1cc(CC(=O)N[C@@H]2CCc3cnn(C)c3C2)c2ccccc21 1875302342 LVMPLSFBEVAEHJ-MRXNPFEDSA-N 336.439 2.611 0 50 EFAA O=C1NC(C(=O)N2C[C@H]3CCCC[C@H]3C2)=C[C@@H](c2ccccc2)N1 1875335369 FSIABJXMWXHIRT-XHSDSOJGSA-N 325.412 2.573 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 952983012 QVVHYYZMXKWNLB-OAHLLOKOSA-N 347.459 2.600 0 50 EFAA COc1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)cn1 952969384 CJRZJHKMFIEWIE-GFCCVEGCSA-N 325.368 2.858 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cc(-c2ccncc2)[nH]n1 952970315 RDASXIJNWGHUEV-UHFFFAOYSA-N 340.387 2.640 0 50 EFAA O=C(Cc1ccc(NC(=O)c2cncc(Cl)c2)cc1)NC1CC1 952979708 RHEJABFMBSVDFC-UHFFFAOYSA-N 329.787 2.808 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N=c1cc[nH]cc1Br 886044933 ODRJYJYKWZAOTC-MFKMUULPSA-N 327.222 2.656 0 50 EFAA COc1ccccc1CN[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886060586 PYPBVYVZSVQHFV-DZGCQCFKSA-N 330.350 2.727 0 50 EFAA CC[C@H](C)c1ccccc1OCC(=O)N1CC(c2cc(CO)on2)C1 886085731 MPAHZANKCVRPLY-ZDUSSCGKSA-N 344.411 2.685 0 50 EFAA Cc1ccncc1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1355164459 YBAQQNSIEHBXCW-UHFFFAOYSA-N 348.406 2.577 0 50 EFAA CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc2nc(Br)nn2c1 1775999057 NGUQLCRXPKFDFK-KOLCDFICSA-N 337.221 2.895 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2c(Cl)nn(C)c2C(F)(F)F)o1 1775999639 SFTFRQDURYMQQW-UHFFFAOYSA-N 343.714 2.795 0 50 EFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1C/C=C/c1ccccn1 1775960062 QFCCKGUMSGYEBD-UGAXZCSASA-N 339.443 2.747 0 50 EFAA O=C(NCCc1nc(O)c2ccccc2n1)[C@H]1C[C@@H]1c1ccccc1 1565527453 OXBMXTZFMFPEOG-CVEARBPZSA-N 333.391 2.798 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2conc2C(F)(F)F)CC1 1362816018 LFXPLFZGDWHSLA-UHFFFAOYSA-N 328.294 2.745 0 50 EFAA CCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)CC)c1 185949905 WWOIWMBSVFTTEW-HNNXBMFYSA-N 337.441 2.802 0 50 EFAA C[C@H](CNC(=O)N1[C@H]2CC[C@H]1CC(=O)C2)COCc1ccccc1 408524610 WJBNHFBWEMQSGN-PVAVHDDUSA-N 330.428 2.745 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCC[C@H]2COc2ccccc2)o1 411788377 LIKVTAQUZZQGRZ-AWEZNQCLSA-N 335.425 2.727 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1c[nH]nc1-c1ccccc1 275613840 RDCFVOLAFKXFEK-HNAYVOBHSA-N 337.427 2.678 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2coc3ccccc23)CCO1 276428577 WRPITTNHXIWLER-PXAZEXFGSA-N 325.368 2.816 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1 276591038 WIZLDDSQDKKVPU-ZETCQYMHSA-N 346.338 2.659 0 50 EFAA CNC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)c1 170605336 LURBNIIFJRVXFR-UHFFFAOYSA-N 349.394 2.935 0 50 EFAA CCO[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCCCCC2)C12CCCC2 170637353 FLVOYMBYVTURAM-CVEARBPZSA-N 344.521 2.777 0 50 EFAA COC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 279318468 CICRUGWNKZFEIX-QWHCGFSZSA-N 333.306 2.509 0 50 EFAA O=C(c1cc[nH]n1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 279414899 SQCYLZPRHMAHFE-CYBMUJFWSA-N 349.232 2.889 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)c1ccccc1-c1nnc(C)o1 189697074 OGDJAMWPPUPFDG-LLVKDONJSA-N 338.367 2.940 0 50 EFAA C[C@H](Oc1ccc(C(=O)N2CCC[C@@H]2C(N)=O)cc1)c1ccccc1 191822559 BFCCDRGJSYCXNE-KBXCAEBGSA-N 338.407 2.917 0 50 EFAA CCCCc1nc(NC(=O)c2cncc(C)c2)c(C(=O)OCC)[nH]1 191963388 AZKICVKZOWUOGZ-UHFFFAOYSA-N 330.388 2.885 0 50 EFAA Cc1csc2c(N(C)Cc3nc4ccsc4c(=O)[nH]3)ncnc12 195342571 DNBZUDLWRAVMEU-UHFFFAOYSA-N 343.437 2.934 0 50 EFAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@H]1CC[C@@H](C2CC2)N1 653110713 RFYLHGVRXGVJFX-DLBZAZTESA-N 347.422 2.865 0 50 EFAA CCC1=NO[C@H](CNC(=O)CC(=O)Nc2cccc(Cl)c2C)C1 1506427690 ZBBVNOFNWUQHLN-LBPRGKRZSA-N 337.807 2.648 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 314844 UXTSMZTXAZRNPH-BJMVGYQFSA-N 333.365 2.594 0 50 EFAA Cc1cc(C[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]2O)on1 1704357175 DHDJOWIIQIZFTI-CXAGYDPISA-N 336.819 2.551 0 50 EFAA O=C([C@@H]1CC2CCN1CC2)N1CCC(Oc2ccccc2F)CC1 1800410156 OWXNDOHHFMWFME-KRWDZBQOSA-N 332.419 2.680 0 50 EFAA Cc1cc(Br)cc(C(=O)N(C)C2CCS(=O)CC2)c1 128678768 VFAPHBKELQSECZ-UHFFFAOYSA-N 344.274 2.741 0 50 EFAA C[C@@H](COCC(F)(F)F)NC(=O)c1ccc(Br)cn1 340112938 AGXZYMAIDNMBGY-ZETCQYMHSA-N 341.127 2.541 0 50 EFAA O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCC1 15344423 BTRXCDKXQKCAIE-UHFFFAOYSA-N 348.399 2.863 0 50 EFAA CCc1cc2c(CN3CCN4CCCC[C@@H]4C3)cc(=O)oc2cc1O 169999856 HFXHUYQDRVQRAN-MRXNPFEDSA-N 342.439 2.731 0 50 EFAA COc1ccc(Cl)cc1C(=O)NC[C@H]1CCO[C@@H]1c1cnn(C)c1 1857530546 SDQUXBVUTPSECO-BZNIZROVSA-N 349.818 2.590 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3cccnc3)CC2)O1 1857667278 LTHKNWFVOHFTIT-IAGOWNOFSA-N 346.471 2.571 0 50 EFAA CC[C@@H](CNC(=O)c1cncc(N2CCOCC2)c1)CC(F)(F)F 412640201 UTEBOWSUYARFOB-GFCCVEGCSA-N 345.365 2.627 0 50 EFAA Cc1ccc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)nn1 414406198 JQPXVUIUNBWOTA-INIZCTEOSA-N 335.354 2.960 0 50 EFAA CC(C)(O)[C@@H]1CCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 332162670 TZOGCTDFLNFIEA-HNNXBMFYSA-N 326.400 2.911 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 671548235 FTUIJQDKADKSAY-SNVBAGLBSA-N 346.324 2.962 0 50 EFAA O=C(NC[C@H](CO)CC1CCCCC1)c1ccc2c(c1)OCCO2 252478481 ANHWBNSWAVAVQO-OAHLLOKOSA-N 333.428 2.767 0 50 EFAA CN(C)Cc1ccc(NC(=O)[C@H]2CCc3nccn3C2)cc1Cl 366510245 BAUBLHBCWBKZNQ-ZDUSSCGKSA-N 332.835 2.799 0 50 EFAA COc1ccc(F)cc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 155170505 HMTOESHMRHAXNM-UHFFFAOYSA-N 326.331 2.882 0 50 EFAA CC(C)CO[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 155269039 AWJICBBFZNHOHD-MRXNPFEDSA-N 348.443 2.804 0 50 EFAA COC1(c2noc(Cn3ncc4cc(C)cnc43)n2)CCCCC1 904084115 QWCWCSCWEWPTPF-UHFFFAOYSA-N 327.388 2.977 0 50 EFAA Cc1cc(C(=O)Nc2nccnc2C(C)C)n(C2CCOCC2)n1 906427113 RRJQIAPWVAHRQV-UHFFFAOYSA-N 329.404 2.709 0 50 EFAA CC1(C)Cc2cccc(C(=O)N[C@H](C(=O)O)c3cccc(O)c3)c2O1 911438814 KEEGISSXAOLLKG-HNNXBMFYSA-N 341.363 2.661 0 50 EFAA CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O 44941183 HTDXSIZCZUGTAG-RTBURBONSA-N 330.472 2.661 0 50 EFAA COC(=O)[C@]1(NC(=O)c2cnc(N)c(Cl)c2)CCCC(C)(C)C1 2325758692 HRUHCKNHRZMOLT-INIZCTEOSA-N 339.823 2.559 0 50 EFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C[C@@H]2CCOC2)s1 2325781359 IIFSSEDPOXPNAH-WCQYABFASA-N 346.456 2.514 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C1CN(C(=O)CCc2c(F)cccc2Cl)C1 2325812982 ZHWHIPCKHFRVIC-NWDGAFQWSA-N 325.767 2.591 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)[C@H](O)C1=CCCCC1 2325820673 CMDXKVYXLGHZRC-QZTJIDSGSA-N 325.412 2.602 0 50 EFAA CCOc1ccc(-c2cn(C3CN(C(=O)CC(C)C)C3)nn2)cc1F 2332239346 IWSCYTKZCRWJED-UHFFFAOYSA-N 346.406 2.912 0 50 EFAA O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccc(F)cc1 807097 ANNPZHMWOBHMBE-UHFFFAOYSA-N 338.317 2.909 0 50 EFAA aggregator COc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)c(OC)c1 2846547 CRKGMOVHTNVPIT-ZDUSSCGKSA-N 329.352 2.872 0 50 EFAA CCC[C@@]1(CO)CN(Cc2c[nH]nc2-c2ccc(C)cc2)CC[C@@H]1O 2356152395 HEDKKZABMNIWKY-ICSRJNTNSA-N 343.471 2.731 0 50 EFAA C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1 3504093 CYNKRHZDXVDIRS-LBPRGKRZSA-N 325.397 2.782 0 50 EFAA O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O 3869855 DOBMPNYZJYQDGZ-UHFFFAOYSA-N 336.299 2.901 0 50 EFAA biogenic,world CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(C)=O 6703672 OHHFYUWWUOECEQ-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA COc1ccc(NC(C)=O)c(NC(=O)Cn2cnc3ccccc32)c1 7460855 CGVRBWAYPBRBGB-UHFFFAOYSA-N 338.367 2.642 0 50 EFAA COc1ccc(C2(NS(=O)(=O)Cc3ccno3)CCCC2)cc1 1365036804 SOPYEGGDWNMPKR-UHFFFAOYSA-N 336.413 2.572 0 50 EFAA Cn1c(CNCC2(N3CCCCC3)CCOCC2)nc2ccccc21 111403480 FCDKIICBKAAIFJ-UHFFFAOYSA-N 342.487 2.698 0 50 EFAA C[C@H](OC(=O)c1cncc(-n2ccnn2)c1)C(Cl)(Cl)Cl 225788941 YDEUWTLKPICIHZ-ZETCQYMHSA-N 335.578 2.578 0 50 EFAA Clc1ccc(-c2ccc(NCCCN3CCOCC3)nn2)cc1 20739926 HMNJNQKBRSGLHP-UHFFFAOYSA-N 332.835 2.931 0 50 EFAA CC[C@H]1c2cccn2CCN1C(=O)c1ccccc1NCC(=O)O 55035904 HUMYHQIQRQQZOK-HNNXBMFYSA-N 327.384 2.592 0 50 EFAA CCOc1cccc(CN(CCO)C(=O)COc2cccc(F)c2)c1 55036640 XRLVBZCCHAUKKE-UHFFFAOYSA-N 347.386 2.624 0 50 EFAA CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 247301622 PBZJFEQCMNTFGU-QLFBSQMISA-N 337.261 2.763 0 50 EFAA O=C(CN1CCCCCC1=O)NCCSc1ccc(Cl)cc1 21557394 QUAZBIGICMWKRP-UHFFFAOYSA-N 340.876 2.951 0 50 EFAA CCNc1ncc(C(=O)N2CCOc3ccc(Cl)cc3C2)cn1 65494249 SKYOYSVYLOUFTB-UHFFFAOYSA-N 332.791 2.597 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 229422921 ZIQPBGLSUVHKNQ-PVAVHDDUSA-N 325.412 2.859 0 50 EFAA CN(Cc1ccc2c(c1)OCO2)Cc1cn(C)nc1-c1ccncc1 120067560 LWCCGDLKLXCLAM-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc3ccccn23)cn1 328638136 OYKQBFRKKGBONN-QAPCUYQASA-N 338.415 2.501 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)c2cnn(C(C)C)c2n1 236731130 YOFGASBMLGPQMB-ZIAGYGMSSA-N 329.448 2.520 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccc(OC)c(C)c1OC 77436262 YSRNHSDCNUQBCN-MRXNPFEDSA-N 334.460 2.845 0 50 EFAA COCCN(C(=O)c1[nH]c2c(F)cccc2c1C)C1CCN(C)CC1 216160305 CAKGIOCQAZTYJR-UHFFFAOYSA-N 347.434 2.798 0 50 EFAA Cc1ccn2ncc(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)c2n1 173603582 UPFFZORWSLREBP-CYBMUJFWSA-N 327.413 2.684 0 50 EFAA CN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1c1ccc(F)cc1 366783425 YNSUAPZROWJZJV-YOEHRIQHSA-N 329.375 2.866 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 238071975 XMCFCRMGDKMOSW-UPJWGTAASA-N 327.302 2.885 0 50 EFAA O=S1(=O)CCC[C@H](COc2cccc(OCC(F)(F)F)c2)C1 283948268 FRMQVJSEDJQGTI-LLVKDONJSA-N 338.347 2.831 0 50 EFAA c1ccc(CN2CCC[C@@H]3CN(c4cncc5nncn45)CC[C@@H]32)cc1 368058406 KKDKBIYBZFMUTC-MSOLQXFVSA-N 348.454 2.615 0 50 EFAA c1ccc(CN2CCC[C@H]3CN(c4cncc5nncn45)CC[C@H]32)cc1 368058423 KKDKBIYBZFMUTC-ZWKOTPCHSA-N 348.454 2.615 0 50 EFAA CCCNC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 71749748 KWOQDDNQBOVGAH-IBGZPJMESA-N 343.515 2.889 0 50 EFAA COCCCn1cnnc1[C@H](C)NC(=O)c1cc2cccc(C)c2o1 215852129 GEUFPEBJGYTPLZ-ZDUSSCGKSA-N 342.399 2.860 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC1Cc2ccccc2C1 218812145 HDWMGJXJXJSAID-UXHICEINSA-N 342.439 2.723 0 50 EFAA CC(=O)N1CC[C@@H](NCc2ccc(CO)c(F)c2)c2ccccc2C1 378492843 HGDOBUDXCAHGSW-HXUWFJFHSA-N 342.414 2.901 0 50 EFAA CCc1ccc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 241124189 JGEYNPKIKFJLPO-UHFFFAOYSA-N 345.779 2.894 0 50 EFAA C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[C@H]1O 241588221 PAXOZKRRVZBWSD-IINYFYTJSA-N 332.213 2.670 0 50 EFAA O=C([C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)nn2)C1)N1CCCC1 241653368 PUMQXJIVIOBVNF-MNOVXSKESA-N 328.338 2.698 0 50 EFAA Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCC(F)(F)C3)C2)nn1 241897267 TXDGGGXLMWULPO-KBPBESRZSA-N 338.402 2.696 0 50 EFAA COc1ccc(CCC(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)cc1 379242117 XIKHXWJRDJMCEI-OCCSQVGLSA-N 330.350 2.508 0 50 EFAA COC(=O)CSc1nnc([C@@H](C)Oc2cc(C)cc(C)c2)n1C 17070643 GOCZEVGVLCTMKJ-GFCCVEGCSA-N 335.429 2.837 0 50 EFAA Cc1nc(-c2ccc(CN[C@H]3CCOC4(CCOCC4)C3)cc2)no1 82146435 OVDXKNWPAMCFJQ-KRWDZBQOSA-N 343.427 2.863 0 50 EFAA CO[C@H](C)c1noc(CN2CCC(Nc3ccc(F)cc3)CC2)n1 177667859 GLJWPDJOPZSZRR-GFCCVEGCSA-N 334.395 2.993 0 50 EFAA CC[C@H](NCC1(C(N)=O)CCOCC1)c1cccc(Cl)c1F 161562759 GIOQMYFKLZPXIA-ZDUSSCGKSA-N 328.815 2.802 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC(OCc2cccnc2)CC1 82121146 SKZNRDROFWDUGF-UHFFFAOYSA-N 345.468 2.987 0 50 EFAA C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2ccnn2C)C1 229219346 CKGGRCNZBQYYBP-CHWSQXEVSA-N 347.850 2.675 0 50 EFAA Cc1nn(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20607252 SLKLCQLNUOZZDR-UHFFFAOYSA-N 343.334 2.948 0 50 EFAA CSc1nccc(N2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)n1 91635379 QUBUZWVWYCWCQU-UHFFFAOYSA-N 346.500 2.984 0 50 EFAA CCn1nc(-c2ccccn2)nc1-c1cn(C)c2ccccc2c1=O 95384915 JIJVHOVNECXLPA-UHFFFAOYSA-N 331.379 2.879 0 50 EFAA CN(CCc1nccs1)C(=O)C1(c2ccc(N(C)C)cc2)CC1 293586203 QZZRGLJPILXCBN-UHFFFAOYSA-N 329.469 2.942 0 50 EFAA Cc1nnc(SCCNc2nc3c(s2)c(C)nn3C)s1 95501905 OWRJDCJPCXJNCC-UHFFFAOYSA-N 326.476 2.702 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)Cc2ccccc2F)CC1 95497016 SWNVPPIQTYWWQP-UHFFFAOYSA-N 345.418 2.617 0 50 EFAA O=C(O)COCCOCCN(Cc1ccccc1)Cc1ccccc1 98213408 XYDYWWMWGAMKMK-UHFFFAOYSA-N 343.423 2.807 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)C2)n1 91595908 ICYOBHVXUABFFV-AWEZNQCLSA-N 340.427 2.743 0 50 EFAA O=C(CCCN1CCCCC1)N1CCC(Oc2cccnc2)CC1 95365654 QXUQNWADMGPLGA-UHFFFAOYSA-N 331.460 2.718 0 50 EFAA CCc1noc(C)c1C(=O)NCCCSc1nnc(C)s1 97244044 GMGCDPOHIKZNHC-UHFFFAOYSA-N 326.447 2.618 0 50 EFAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H]1COc2ccccc2C1 95502163 DITZCJNSLSIAAT-QGZVFWFLSA-N 327.428 2.656 0 50 EFAA COCC[C@]1(O)CCN(C2CCN(c3ccccc3)CC2)C[C@H]1C 91986702 ULBXLQXMFPAYQD-YLJYHZDGSA-N 332.488 2.765 0 50 EFAA O=c1cc(CN2CCC([C@@H](O)c3ccccn3)CC2)[nH]c2ccccc12 97743084 ZNNVDXPNYPRUQW-OAQYLSRUSA-N 349.434 2.869 0 50 EFAA O=C(c1ccsc1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95360999 XATXPMYFVWBWMK-KBXCAEBGSA-N 343.404 2.526 0 50 EFAA Cc1nc(CCCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc1C 91288821 OGBDTGLEJZRHJH-AWEZNQCLSA-N 349.500 2.600 0 50 EFAA O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cnn(CCC(F)(F)F)c1 182218219 NUZXZFCRHLZDGG-UHFFFAOYSA-N 340.261 2.522 0 50 EFAA CCCc1ccc(CN2CCC(c3cc(CC(=O)O)n[nH]3)CC2)o1 252483892 FKSZAMOZRDNYDE-UHFFFAOYSA-N 331.416 2.962 0 50 EFAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2csc3ccccc23)CC1 299740466 AXEOLCLZWJEMIM-GOSISDBHSA-N 344.480 2.753 0 50 EFAA Cc1nc2c([nH]1)CN(C(=O)NCCOc1ccccc1Cl)CC2 534665563 QXGSBVUZMBKEHA-UHFFFAOYSA-N 334.807 2.518 0 50 EFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1Br 172245 DUKJJOCLCGFYPB-UHFFFAOYSA-N 334.235 2.632 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c(O)nc1C 1940193719 RLIHPGUZTPDUTB-GFCCVEGCSA-N 329.331 2.608 0 50 EFAA CC(C)c1nnc([C@@H](C)NC(=O)CCc2nc3ccccc3[nH]2)o1 299771116 ZVBGHWYYHLKPES-LLVKDONJSA-N 327.388 2.879 0 50 EFAA Cc1cc(F)ccc1NC(=O)N1CCC2(CC1)CN(C)CCCN2C 299797545 OKAACAKRPJPOEI-UHFFFAOYSA-N 348.466 2.768 0 50 EFAA Cc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CCNC2)c1 299785019 PVOQGIBEISDMRE-IBGZPJMESA-N 325.412 2.508 0 50 EFAA CCCc1nnc(NC(=O)CN(C)Cc2cc(C(C)C)no2)s1 299775643 LTGJXHDOBNXNRR-UHFFFAOYSA-N 337.449 2.673 0 50 EFAA O=C(O)[C@H]1C[C@@H](NC(=O)[C@@H]2CCOc3ccccc32)c2ccccc21 653330404 FBWCEQWLXIRPBY-IXDOHACOSA-N 337.375 2.982 0 50 EFAA O=C(NCCN1CCCc2ccccc21)c1onc2c1CCCC2 666631547 BYXBAYSJBYZFCH-UHFFFAOYSA-N 325.412 2.736 0 50 EFAA COC1(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)CCCC1 952848201 IDIMDWUIUITUMI-CABCVRRESA-N 344.459 2.593 0 50 EFAA CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)c2ccsn2)C1 1455338858 GDKCZDNUGMNJLJ-NSHDSACASA-N 334.372 2.664 0 50 EFAA CN1C[C@@H](NC(=O)c2coc(C3CCC3)n2)CC[C@@H]1C(F)(F)F 952752424 LEMUVMJEKKEVSL-CMPLNLGQSA-N 331.338 2.697 0 50 EFAA C/C(=C\c1ccccc1Cl)C(=O)N1CC[C@H](c2nncn2C)C1 952994132 QHZXLCTWSKNGOI-TZIYXEQSSA-N 330.819 2.888 0 50 EFAA Cc1cc(S(=O)(=O)Nc2c[nH]c3nccc-3c2)n(C2CCCC2)n1 1875291214 RJFXVLMCNRXHDX-UHFFFAOYSA-N 345.428 2.935 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1ccc2ccccc2c1F 1875334742 CDHGZBJKHAIGMO-LBPRGKRZSA-N 333.384 2.544 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)c3ccc4c(=O)n(C)cnc4c3)ccc2O1 952966150 DMFBXXMLWCERMA-LLVKDONJSA-N 335.363 2.509 0 50 EFAA Fc1ccccc1CNC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 952966639 VSSNVPFVKVUUBV-MWABVPJASA-N 327.407 2.650 0 50 EFAA O=C1Cc2ccc(CC(=O)N3CC[C@@H]4CC[C@@]43c3cccnc3)cc2N1 888826712 NTWKCVGWDKYKKL-KKSFZXQISA-N 347.418 2.657 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@H](C)Cc2cnccn2)cc1 888093672 MYERIKCAEQKASS-QGZVFWFLSA-N 342.487 2.918 0 50 EFAA COc1cc(CN(C)C(=O)c2c(-c3ccccn3)noc2C)sn1 1335291300 FPKGHCQQWCBVJX-UHFFFAOYSA-N 344.396 2.782 0 50 EFAA CC[C@H]1CN(CCNC(=O)c2cscc2C(F)(F)F)CCO1 888100702 IEMPLHRWFFFWCX-JTQLQIEISA-N 336.379 2.608 0 50 EFAA Cc1c(C(=O)N2CCOC[C@]2(C)C2CC2)nc(O)c2ccccc12 890590591 JURUBXFDXGVWQB-LJQANCHMSA-N 326.396 2.890 0 50 EFAA O=C(NCc1cc(F)ccc1Br)NC1CC(CCO)C1 892181229 XNSPVEAWWDHNPR-UHFFFAOYSA-N 345.212 2.548 0 50 EFAA O[C@]1(CCNc2nc3cc(Br)ccc3o2)CCCOC1 894409906 UQNVNXUBXYULDL-AWEZNQCLSA-N 341.205 2.934 0 50 EFAA CN1C(=O)CCc2cc(NC(=O)COc3ccc(F)c(F)c3)ccc21 1361353979 YDUFWCLEGJDURY-UHFFFAOYSA-N 346.333 2.891 0 50 EFAA COC(=O)c1sc(Br)cc1NC(=O)[C@H](OC)C1CC1 1775997511 FQTIJGRQTTTYFG-SECBINFHSA-N 348.218 2.661 0 50 EFAA Cc1ccccc1CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1 1565530353 RUZDJZLQKCVMJX-FPOVZHCZSA-N 342.483 2.580 0 50 EFAA CC(C)(C)c1nocc1CN1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1 1776287108 YZCBQEDIPVSJTM-CABCVRRESA-N 336.432 2.674 0 50 EFAA NC(=O)C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1cccc(Cl)c1 1364792277 KQWUTXAEVBJHFC-GFCCVEGCSA-N 345.777 2.697 0 50 EFAA CN(C[C@@H]1CCCC[C@@H]1O)c1ccc2nnc(-c3ccccc3)n2n1 272167514 GGSNNLWPJFIOQU-HOTGVXAUSA-N 337.427 2.779 0 50 EFAA CCOc1cc(C)ccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 305026581 WFPUZJYRQPZTSR-PKOBYXMFSA-N 340.423 2.851 0 50 EFAA CCn1ccnc1[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 408520617 ODIYWTSFEJCQHY-GFCCVEGCSA-N 341.440 2.841 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCC(=O)N2CCC(O)CC2)c2ccccc21 278416348 SMDRSJGCTWVYLP-QGZVFWFLSA-N 344.455 2.536 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C 187250058 WQXQQXRDDNEJOI-UKRRQHHQSA-N 343.431 2.530 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cn1 189717915 OHGJXMYSSRTWNG-RHSMWYFYSA-N 331.464 2.946 0 50 EFAA COC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n1 190158653 MKIMJOOWVLIATA-OXJNMPFZSA-N 336.391 2.640 0 50 EFAA Cc1ncccc1NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644378000 VKEQIFYFCGFRMH-FQEVSTJZSA-N 339.439 2.746 0 50 EFAA CC(=O)Nc1cccc2c1CCN([C@H]1CCc3ccccc3NC1=O)C2 191955947 ISAOYMXGVLDAFS-FQEVSTJZSA-N 349.434 2.957 0 50 EFAA C[C@@H](CC(=O)Nc1cnccc1OC(C)(C)C)N1CCCCC1=O 192236742 WFVMPISLYWRIPL-ZDUSSCGKSA-N 333.432 2.989 0 50 EFAA CC(C)N1CCN(CCCN2CCO[C@@](C)(c3ccccc3)C2)CC1 192758213 RBMWEBGILSAAIO-OAQYLSRUSA-N 345.531 2.650 0 50 EFAA COc1cc(CC(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)ccc1C 737885009 ZFOIDGPKLJQUNU-QGZVFWFLSA-N 349.333 2.766 0 50 EFAA COc1ccc(C[S@@](=O)Cc2nnc(C3CC3)n2C)cc1Cl 194300660 WOYHFGJXMRTFPX-JOCHJYFZSA-N 339.848 2.803 0 50 EFAA C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)o1 194704551 CRXHYHFZSSORMC-SKEXDYEWSA-N 336.391 2.859 0 50 EFAA CC(C)CC1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 760923123 YXCWAYFBBIKZFK-UHFFFAOYSA-N 335.473 2.767 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)S(=O)(=O)N1CCCC1 1506421112 WEKZKLXNWKPPPR-UHFFFAOYSA-N 337.470 2.583 0 50 EFAA O=C(CCC(F)(F)F)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529144145 OCYVSKSSUMDGNV-HUUCEWRRSA-N 342.361 2.613 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CC[C@H](O)[C@H](CO)C2)cc1 1615736774 OMBYKLGBAJSZJA-LPHOPBHVSA-N 333.472 2.622 0 50 EFAA Cc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccon3)no2)cn1 11667896 JKTSUDCEEFPMAS-LBPRGKRZSA-N 342.355 2.778 0 50 EFAA Cc1nc2cc(OCc3cc(C(=O)N4CCCO4)no3)ccc2s1 11838464 ICBHBWXSTXDLRM-UHFFFAOYSA-N 345.380 2.949 0 50 EFAA Cc1ccc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 13019532 WOYCANTXKWVSFD-UHFFFAOYSA-N 335.407 2.974 0 50 EFAA CCN(CC)Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O 14989341 LGNMSNMRLKEDFW-UHFFFAOYSA-N 336.819 2.670 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCN(C1CCOCC1)C2 15069205 OPOGMXKCHMJOLL-HXUWFJFHSA-N 346.446 2.819 0 50 EFAA c1ccc(-c2noc(-c3cncnc3N3CCSCC3)n2)cc1 169781045 UXPNMXHJJDYFNU-UHFFFAOYSA-N 325.397 2.747 0 50 EFAA COc1cnc(C)cc1C(=O)N[C@H](Cn1cccn1)c1ccccc1 1857673889 MZNSUVFINLNGMW-QGZVFWFLSA-N 336.395 2.766 0 50 EFAA Cc1ccc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)nn1 1857732108 BXYXNIWOORVVME-IBGZPJMESA-N 337.427 2.642 0 50 EFAA O=S(=O)(NCc1ccccc1)c1ccccc1Br 6314707 FPQGRYUENBBEOH-UHFFFAOYSA-N 326.215 2.928 0 50 EFAA in-vitro C[C@]1(C(=O)O)CCN(C(=O)CCCc2nc3ccccc3s2)C1 237640815 KNOBZUUGRDHVNN-KRWDZBQOSA-N 332.425 2.942 0 50 EFAA O=C(O)[C@]12CN(Cc3ccc(Cl)o3)C[C@H]1CN(C1CCCC1)C2 247382495 JNUDRBQSMHWDHW-SJCJKPOMSA-N 338.835 2.694 0 50 EFAA Cc1ccc([C@H](NC(=O)N2C[C@H](C)[C@@](C)(CO)C2)C(F)(F)F)o1 667300755 ZBCMJZZDETVMRC-DUFXMDAXSA-N 334.338 2.851 0 50 EFAA Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1C 158640370 RVISLIHDWFMEGZ-PBHICJAKSA-N 329.444 2.817 0 50 EFAA 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Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(C2CCC2)no1 1875300741 OTRWCLMBOFSTBQ-OAHLLOKOSA-N 344.415 2.506 0 50 EFAA C[C@](O)(CNCC1CCCCC1)C(=O)N[C@H]1CCOc2ccccc21 1875326229 NHEJKEYUOXVIHJ-PXNSSMCTSA-N 346.471 2.547 0 50 EFAA NC(=O)c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccn1 1875353694 CSTCVZKIVNVCGO-UHFFFAOYSA-N 334.257 2.916 0 50 EFAA CC(C)CC(=O)N1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 269958945 LABJXBUUDIQODD-UHFFFAOYSA-N 330.354 2.944 0 50 EFAA Cc1nnc(CN2CCC[C@H](CNC(=O)c3ccsc3)C2)s1 952982190 WUWYAQUOJWKPFF-GFCCVEGCSA-N 336.486 2.550 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc3c(F)cccc3[nH]2)C1 888077430 BBDGRTNOBNLSCG-MEBBXXQBSA-N 328.347 2.632 0 50 EFAA Brc1cnn(C2CCN(c3cccc4nncn34)CC2)c1 892445815 APESESNCAQJMJY-UHFFFAOYSA-N 347.220 2.530 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2csc3c2CCCC3)o1 1775957436 UOXLWTNMNWCCHF-ZWNOBZJWSA-N 347.440 2.520 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 1775959081 FHPHOYPYPZDONV-UYJHQMFVSA-N 347.459 2.873 0 50 EFAA CC(C)[C@@H]1C[C@H](CC(=O)N[C@H](CO)c2c(F)cccc2F)CCO1 273044027 DEKFKUJCENPUJN-WQVCFCJDSA-N 341.398 2.956 0 50 EFAA O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1CC1(F)F 408486297 SBDSKFNWTGRBLF-GSVOUGTGSA-N 336.168 2.515 0 50 EFAA CC1(S(=O)(=O)NC(=O)c2csc(C3CCCCC3)n2)CC1 408501270 OTXDDLAETSFPIE-UHFFFAOYSA-N 328.459 2.803 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCOC 277465643 MAXDWCXXMSETHY-XJKSGUPXSA-N 331.416 2.826 0 50 EFAA Cc1nnccc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278284801 ASHQDGSTEHMADX-JTQLQIEISA-N 339.321 2.547 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@H]3C(C)=CCC[C@H]3C)CC2)nn1 170604387 LNGLKOSYOVDCPY-ZBFHGGJFSA-N 332.448 2.694 0 50 EFAA O=C(OC1([C@H]2CCOC2)CC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 170632502 KXIQFSJPZLKFSW-GJZGRUSLSA-N 335.444 2.670 0 50 EFAA CC[C@H](C)CS(=O)(=O)NC(=O)[C@@H]1SCCc2ccccc21 170645733 NWSRXDFMXVYYPS-SMDDNHRTSA-N 327.471 2.509 0 50 EFAA COc1ccc(C2(NC(=O)Cn3nccn3)CCCCCC2)cc1 170653976 AACGJTQUPCLXND-UHFFFAOYSA-N 328.416 2.653 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCCN(C2CCCC2)CC1 187511026 JAOYPCMXQIPDPH-HNNXBMFYSA-N 346.475 2.811 0 50 EFAA CC[C@@]1(C(C)C)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 188211720 XUWBZGCWTGKDJZ-SFHVURJKSA-N 344.390 2.868 0 50 EFAA Cc1cccc(OC[C@@H](O)CN2CCc3ccc(O)cc3CC2)c1 676681935 AXDOHWDRZUHOAI-IBGZPJMESA-N 327.424 2.541 0 50 EFAA Cc1c[nH]nc1CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 648763052 WMJPWDKQLGWVAI-CYBMUJFWSA-N 343.381 2.964 0 50 EFAA Nc1cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccn1 193317139 WOICZLLBIBZLAC-UHFFFAOYSA-N 344.846 2.665 0 50 EFAA Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653328342 HWWZXTCDRKMXHD-KGLIPLIRSA-N 327.384 2.885 0 50 EFAA COc1cccc(C2CCN(C(=O)[C@H]3C[C@]34CCCNC4)CC2)c1 655431669 WZAUYTRLSKEIOK-QUCCMNQESA-N 328.456 2.791 0 50 EFAA COC[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)C1 1506420684 PDYZBLHCKBYUBL-NSHDSACASA-N 335.828 2.667 0 50 EFAA O[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1Cc1cnccn1 1529192175 QCHWNYLJGYIGHV-CZUORRHYSA-N 337.345 2.531 0 50 EFAA O=C(CCc1ccccc1F)N[C@H]1COC[C@@H]1Cc1ccncc1 1615964025 NGNOTUNCFCIEOE-WMZOPIPTSA-N 328.387 2.527 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2ncsc2-c2ccccc2)C[C@@H](C)O1 1775975120 DXZGPDWMYJOFMK-TXEJJXNPSA-N 338.454 2.608 0 50 EFAA O=C(Cc1cccs1)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772702619 DEVUZMGLTHPZKR-FXAWDEMLSA-N 340.492 2.971 0 50 EFAA COC(=O)[C@H](O)[C@H](Sc1ccccc1N)c1ccc(OC)cc1 5570188 MPWGGMIUPWSNEV-HZPDHXFCSA-N 333.409 2.645 0 50 EFAA O=C(CC[C@H]1CCCN(CCc2ccccc2)C1)N1CCOCC1 14964021 ZCLVGAPMPJWYCJ-LJQANCHMSA-N 330.472 2.580 0 50 EFAA Cn1cc(CN2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)cn1 15075326 CCQPWTDODWTUMT-INIZCTEOSA-N 339.361 2.882 0 50 EFAA C[C@@H]1CCc2c(C(=O)N3CCN(c4ncccn4)CC3)csc2C1 16602221 ZWNGVMHJXCRGME-CYBMUJFWSA-N 342.468 2.625 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c1 1857688720 YEPPPEPFYZYZJB-KRWDZBQOSA-N 345.439 2.576 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cc(C)no1 331780516 DXFIJZGDWUTMBI-CYBMUJFWSA-N 336.413 2.826 0 50 EFAA O=C(C(C1CCC1)C1CCC1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 333969645 UWVIDOUTHSBCDP-SFHVURJKSA-N 339.501 2.630 0 50 EFAA CCn1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)nn1 661720005 XDXZBJWNMXEXDI-OAHLLOKOSA-N 333.823 2.998 0 50 EFAA Cc1noc(C)c1[C@H](C)c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 351032079 PGQOJMUKGWXYDN-ZLKJLUDKSA-N 332.404 2.752 0 50 EFAA CC(=O)N1CCC(CNC(=O)NCc2cccc(C(C)C)c2)CC1 356987775 RQOICLNMMNHOJI-UHFFFAOYSA-N 331.460 2.868 0 50 EFAA C[C@@H](NC(=O)NC[C@H]1CCCN1C1CCCCC1)C1CCOCC1 373886760 GEIMRYCZDPOFQC-CRAIPNDOSA-N 337.508 2.898 0 50 EFAA O=C(O)CC1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)CC1 262424030 LGEHZQWFCLSUGJ-UHFFFAOYSA-N 347.411 2.571 0 50 EFAA CC(C)[C@H](c1nc(-c2cncnc2)no1)N1Cc2ccccc2C1=O 906127824 HKIRBJGFTZDEOP-OAHLLOKOSA-N 335.367 2.880 0 50 EFAA CCC[C@]1(C(=O)O)CCCN1C(=O)c1cc2c(cc1F)NC(=O)CC2 910119813 AKMPNIVFOGCDGB-GOSISDBHSA-N 348.374 2.570 0 50 EFAA O=C1C[C@]2(NC(=O)N[C@@H](C3CCCC3)C(F)(F)F)CCCC[C@@H]2N1 930827316 CWCPWBRECZEPCK-CORIIIEPSA-N 347.381 2.608 0 50 EFAA O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc2ccoc12 933022024 IEXJYBULWMBTRO-AWEZNQCLSA-N 340.358 2.761 0 50 EFAA CCc1c[nH]c2ncnc(N(C)Cc3cn(C)nc3C(F)(F)F)c12 1119948232 KFCILWALTKEBRH-UHFFFAOYSA-N 338.337 2.909 0 50 EFAA NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 97788 VJXKACWSOXCSDW-UHFFFAOYSA-N 327.365 2.658 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C(F)(F)F 617859 BTHKCQQUEAEYOU-GFCCVEGCSA-N 338.289 2.759 0 50 EFAA COc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1OC 1137564 CHDCCZIEZQNNKW-UHFFFAOYSA-N 335.429 2.935 0 50 EFAA CC1CCN(Cc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)o2)CC1 2356145280 JIWFIZHRVWJKMZ-GASCZTMLSA-N 348.443 2.885 0 50 EFAA COc1ccc(NC(=O)c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1 4841332 HMHRXURBKMIABL-UHFFFAOYSA-N 343.335 2.798 0 50 EFAA CCCCc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 6704131 WTGXKOWHSQCKRU-HNNXBMFYSA-N 338.473 2.639 0 50 EFAA C[C@@H](NC(=O)N(C)Cc1cnc(N(C)C)nc1)[C@H]1C[C@H]2CC[C@H]1C2 110712101 SHCBCTJANCVSJC-BFJAYTPKSA-N 331.464 2.509 0 50 EFAA COc1ccccc1C[C@H](C)N(C)C(=O)CCC(=O)NC1CCCC1 55036070 QYBNFBCOUOPKPJ-HNNXBMFYSA-N 346.471 2.924 0 50 EFAA O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1cccnc1 225537177 YBTRDFBZCUEWRM-UHFFFAOYSA-N 342.786 2.843 0 50 EFAA Cc1n[nH]nc1C(=O)Nc1nc2ccccc2n1-c1ccc(F)cc1 225722159 JYOXRGGNJOPONZ-UHFFFAOYSA-N 336.330 2.843 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2cc(C)n[nH]2)cc1 55182450 DWETXPADSBNUJL-CYBMUJFWSA-N 342.443 2.747 0 50 EFAA COCc1cn(C2CCN(C/C=C/c3ccccc3OC)CC2)nn1 55252964 VLVLEIBOVURMIZ-FNORWQNLSA-N 342.443 2.783 0 50 EFAA CO[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)N(C)C1 346659163 ROYGEXLNSZLPFR-RDJZCZTQSA-N 342.443 2.653 0 50 EFAA COC(=O)[C@H](CCSC)n1ccnc1-c1cccc2nonc12 65406377 ISWSTKALWYPPFN-LBPRGKRZSA-N 332.385 2.554 0 50 EFAA CCn1c([C@H]2CCCN(Cc3cc4ccccc4o3)C2)nn(C)c1=O 67974639 AEUTVOIGTWBCFV-HNNXBMFYSA-N 340.427 2.728 0 50 EFAA O=C(c1ccc(NC2CC2)nc1)N1CCCC[C@@H]1CCn1cccn1 20539650 PBBSCEYATWSCBP-QGZVFWFLSA-N 339.443 2.937 0 50 EFAA FC(F)(F)COc1cnc(-c2noc(CC[C@H]3CCCO3)n2)cn1 351004947 IFSXAHYQFWQUPL-SECBINFHSA-N 344.293 2.579 0 50 EFAA Cc1nnc(NC(=O)c2cccc(CN(C)Cc3ccno3)c2)s1 67773143 BIAROSKDLUXAAL-UHFFFAOYSA-N 343.412 2.719 0 50 EFAA COc1cccc(COC[C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1 229105068 AJIPZNIXQABFPX-CABCVRRESA-N 347.377 2.847 0 50 EFAA NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccn(Cc2ccccc2)c1 119878021 BGPONXMHOZPVCG-OAQYLSRUSA-N 345.446 2.949 0 50 EFAA COc1ccccc1NC(=O)NC[C@@H]1CCN(Cc2cccnc2)C1 67982274 NUMCUZMFFKYEGV-INIZCTEOSA-N 340.427 2.734 0 50 EFAA CCn1cc(CNCc2ccc(O[C@@]34CCCN(CC3)C4)cc2)cn1 67880476 QPUKVSSBMXYZGL-FQEVSTJZSA-N 340.471 2.810 0 50 EFAA Cn1ccnc1COc1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 230082184 FTKNIZLWTDTSCA-QZTJIDSGSA-N 327.428 2.752 0 50 EFAA COc1ccc(-c2cnnc(N[C@H](C)Cn3nc(C)cc3C)n2)cc1 12586411 FRJGMPVKUMJIDG-CYBMUJFWSA-N 338.415 2.861 0 50 EFAA COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 151122293 QAVKRRGDYYGJBL-YLJYHZDGSA-N 345.439 2.594 0 50 EFAA c1ccc(-c2ncc(CN3CCC[C@@H](c4ccncn4)C3)cn2)nc1 215351072 RXNGNGYLKRLCJH-MRXNPFEDSA-N 332.411 2.708 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)cn1 72127083 JGPCGBGMSHHCAW-MRXNPFEDSA-N 333.457 2.596 0 50 EFAA CSc1nccc(N2CCC3(CC2)C(=O)Nc2ccccc23)n1 72143149 INOMQCKRWGRERH-UHFFFAOYSA-N 326.425 2.689 0 50 EFAA Cc1nn(C(C)C)cc1CN1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 253431838 VADSFRCMXWPCRM-QZTJIDSGSA-N 331.464 2.594 0 50 EFAA CCc1nnc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 253432026 IMCYKCZMLKXJMX-SECBINFHSA-N 329.326 2.754 0 50 EFAA Cc1n[nH]cc1CN(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328631364 KKVMAIRHZAGFAJ-LLVKDONJSA-N 327.354 2.628 0 50 EFAA CN(CCc1cnn(C)c1)c1cc(-c2ccccc2)nc2ccnn12 72428789 TVRGMKIQNHZIDZ-UHFFFAOYSA-N 332.411 2.809 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COc2cccc(F)c2)c1 337524553 XEUNNJRVJIYOMK-YJBOKZPZSA-N 345.370 2.548 0 50 EFAA CC(C)(C)OC(=O)N1CCC(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)CC1 363613458 MIWRLOKJBDIMKS-SDADXPQNSA-N 349.475 2.826 0 50 EFAA CN(C)c1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1 215721849 DTIYDTBUFIZOLB-UHFFFAOYSA-N 329.419 2.770 0 50 EFAA COc1cc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)ccc1OC(C)C 363929802 VSWKJBJTVKMFCS-GFCCVEGCSA-N 329.400 2.949 0 50 EFAA NC(=O)c1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 364070494 QITRLVYONXDPFL-CQSZACIVSA-N 327.359 2.946 0 50 EFAA O=C(Cc1ccc2[nH]ncc2c1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282589991 PYKXRZODSNLWIO-SJLPKXTDSA-N 339.370 2.579 0 50 EFAA O=C(COCC(F)(F)F)Nc1ccc(Nc2ncccn2)cc1 444609156 ADYXIYBKSYXUCL-UHFFFAOYSA-N 326.278 2.738 0 50 EFAA O=C(c1ccc2nc(O)[nH]c2c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 333414950 HWYCTEZGJYSWRT-INIZCTEOSA-N 341.411 2.690 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@@H](CO)C1 245444860 YKXMOVXHDBLWMU-RDTXWAMCSA-N 328.387 2.820 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@]1(C)CCNC1 237247642 HSERQEXSHYYXSU-CQSZACIVSA-N 329.213 2.546 0 50 EFAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)O)CC2 237408718 BXMLQTYJYRWZNP-QGZVFWFLSA-N 333.409 2.797 0 50 EFAA C[C@@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1)n1cccc1 72408839 YKUMLTSBVZFVMZ-HNNXBMFYSA-N 342.395 2.574 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCC[C@H](O)c3cc(F)ccc32)[nH]1 375471611 LTWPYZOISGSPFM-KRWDZBQOSA-N 331.391 2.689 0 50 EFAA C[C@H]1CN(C)CCCN1Cc1ccc(OCCCn2ccnc2)cc1 215127837 XHSNXWOLRGQZAB-SFHVURJKSA-N 342.487 2.878 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1ccnc1 77487746 UYQQWHVWPJKQKH-HNNXBMFYSA-N 327.384 2.697 0 50 EFAA O=C(CCOc1ccccc1)N1CCCO[C@@H](CN2CCCCC2)C1 215278090 YSNTXCAKKJLITO-IBGZPJMESA-N 346.471 2.559 0 50 EFAA C/C(=C\c1ccccc1)CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 284441348 FPILASRPLRBIIP-LOVLDFRCSA-N 338.455 2.775 0 50 EFAA C/C(=C\C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)c1ccccc1C(F)(F)F 284508944 DYWZVXITHKKJEK-BQXLGMDRSA-N 340.345 2.689 0 50 EFAA CO[C@H](C)CN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 286625377 UVFQUHOZGXKXJY-CYBMUJFWSA-N 339.457 2.510 0 50 EFAA Cc1nc2c(c(C)c1CCC(=O)Nc1ccccc1F)c(=O)[nH]n2C 174363776 RABSSNVMGFBPCI-UHFFFAOYSA-N 342.374 2.589 0 50 EFAA C[C@H](C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)c1cccnc1 174612869 WOAAFOWGHNEFHE-PKOBYXMFSA-N 337.467 2.866 0 50 EFAA COC(=O)Nc1cccc(OS(=O)(=O)C[C@H](CC(C)C)OC)c1 496639542 JXIIHHJPFIRPHS-AWEZNQCLSA-N 345.417 2.635 0 50 EFAA COc1ccc(-c2nnc(NC(=O)c3oc(C)cc3C)[nH]2)c(OC)c1 176318256 XPQHNKXHZILZRA-UHFFFAOYSA-N 342.355 2.951 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)O 223220696 LTFVFKGDIZPNRH-NOZJJQNGSA-N 333.306 2.743 0 50 EFAA CC[C@H](NC(=O)CSc1nc(C)n[nH]1)c1nc2cc(C)ccc2[nH]1 220250791 JLBHNGCMSBMGOW-NSHDSACASA-N 344.444 2.657 0 50 EFAA Cc1nn(C)cc1-c1ccnc(NCc2cc(-c3ccccn3)no2)n1 48436103 RKSONMMRQWFMND-UHFFFAOYSA-N 347.382 2.848 0 50 EFAA CCCN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CCNC1 178908105 SFLNRPKOOCZRBI-MRXNPFEDSA-N 340.427 2.828 0 50 EFAA O=C(NCCNC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1Cl 292323802 IQLPOMBCBKPJJF-CQSZACIVSA-N 349.862 2.901 0 50 EFAA Oc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)c1 92789480 ZTLGZZCNNUCEEJ-UHFFFAOYSA-N 348.450 2.896 0 50 EFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2cc3ccccc3s2)C1 97604120 KCRTUARQXMTBCI-AWEZNQCLSA-N 342.468 2.902 0 50 EFAA CN(C)CCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91951361 WQXKZWMBPVSPAE-PKOBYXMFSA-N 347.478 2.590 0 50 EFAA COCCN1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 97294919 RKAZSOGQCQXATG-LJQANCHMSA-N 330.472 2.540 0 50 EFAA CCSc1nc(CC(=O)N2CCC[C@@]3(CCOC3)C2)cs1 91574127 BTENMGOQCOYWTL-OAHLLOKOSA-N 326.487 2.827 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)on1 95371816 VJVMYLAFSMFSOR-OAHLLOKOSA-N 328.368 2.630 0 50 EFAA COC1(c2ccccc2)CCN(C(=O)CN2CCCCCC2=O)CC1 95525854 HEXJPWLYWJYAAG-UHFFFAOYSA-N 344.455 2.553 0 50 EFAA Cc1nc(CCNC(=O)Nc2c(C)noc2C)nc2c1CCCC2 95504589 QAQBKTJFXRZIGL-UHFFFAOYSA-N 329.404 2.633 0 50 EFAA Cc1ccc(-n2cc(C(=O)N[C@H]3CCCO[C@H]3CC(C)C)nn2)cc1 184796639 XBPWFBSKRJGCNT-WMZOPIPTSA-N 342.443 2.899 0 50 EFAA O=C(NCc1ccc2cc[nH]c2c1)C1CCN(C2CCOCC2)CC1 299799144 SUTQOGAFPFDMEI-UHFFFAOYSA-N 341.455 2.675 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H](C)c1nncn1C1CCCC1 299760001 SRRWFSTZPAXELW-NSHDSACASA-N 328.420 2.793 0 50 EFAA C[C@@H](NC(=O)COCC(F)(F)C(F)F)c1nc2ccccc2[nH]1 299789214 UKWMLHQCJSPVMC-MRVPVSSYSA-N 333.285 2.657 0 50 EFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCCN(C2CCCCC2)CC1 299786827 XWYBLPZFVZTONK-UHFFFAOYSA-N 347.459 2.810 0 50 EFAA Nc1nccc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 299766784 FLNQYAYHVHRFAC-UHFFFAOYSA-N 333.342 2.749 0 50 EFAA O=C(CCN1CCCCCC1=O)N[C@H](c1ccccn1)C(F)(F)F 827984520 RRROUNZCQLHRME-OAHLLOKOSA-N 343.349 2.594 0 50 EFAA CC[C@@H](c1nc(Cc2ccc(OC)cc2)nn1CC)N1CCOCC1 822663319 OVDNJXODLAAYNI-KRWDZBQOSA-N 344.459 2.681 0 50 EFAA CCN(Cc1noc(C2CC2)n1)C(=O)NCCCN1CCC[C@H](C)C1 584894080 YYXQQFMIQPKAMP-AWEZNQCLSA-N 349.479 2.601 0 50 EFAA Cc1ccccc1[C@H](NC(=O)CCCn1cncn1)c1ccncc1 584904005 XPZDEYHKBHCUIY-LJQANCHMSA-N 335.411 2.668 0 50 EFAA Cc1nn(C)c(Cl)c1CN(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 670445180 UBHYRJQILURQPR-ZDUSSCGKSA-N 338.883 2.605 0 50 EFAA CC[C@H](c1ccccc1)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 269621475 DYOWHKBQBCKRLU-DOTOQJQBSA-N 336.443 2.786 0 50 EFAA Cc1ccc(C(=O)N[C@H](c2nc(-c3ncc[nH]3)no2)C(C)C)cc1 952992875 FKKUVFKYSIXDOS-ZDUSSCGKSA-N 325.372 2.895 0 50 EFAA CC(C)Oc1cccc(C(=O)NC[C@H]2CC(=O)N[C@@H](C)C2)c1Cl 952876142 CACMLXWKGZZEAD-NWDGAFQWSA-N 338.835 2.772 0 50 EFAA COCc1nc([C@H]2CN(c3ccncc3Cl)C[C@@H]2C2CC2)n[nH]1 952849339 AJTGRKISUHSZJH-NEPJUHHUSA-N 333.823 2.630 0 50 EFAA C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 1875268437 QVEXVPRQTMKWDP-WPRPVWTQSA-N 328.401 2.561 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 1875257839 AXPPWZAZCFMRCD-SWLSCSKDSA-N 346.435 2.517 0 50 EFAA CN(c1nnc(-c2cc(-c3ccncc3)[nH]n2)n1C)C1[C@@H]2CCC[C@@H]12 1875276990 VEBZQCUCIAHTKM-CHWSQXEVSA-N 335.415 2.502 0 50 EFAA CC(C)N(Cc1ccc(F)cc1F)C(=O)C[C@@H]1C=CS(=O)(=O)C1 1875254910 YYTPZUZHBWENIV-LBPRGKRZSA-N 343.395 2.650 0 50 EFAA CN(C(=O)c1c(C2CC2)cnn1C)c1ncc(Br)s1 1875276217 IQHMVSVJOWLATA-UHFFFAOYSA-N 341.234 2.793 0 50 EFAA CN(C/C=C/C(=O)N1CC2(CCCCC2)C[C@H]1CO)CC(F)(F)F 1875338018 LZDVAVSHTLXBHG-GJBLVYBDSA-N 348.409 2.580 0 50 EFAA CCN1C(=O)N[C@H]2C[C@@]1(c1cccnc1)Oc1c(OC)cccc12 1875319598 JSTHBHDRWLRGEL-KSSFIOAISA-N 325.368 2.812 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(=O)O)CCCCC1 1875393708 LTDYBVKPSDPSTB-GOOCMWNKSA-N 345.443 2.692 0 50 EFAA O=c1c2[nH]c3cccc(Br)c3c2cnn1C1CCNCC1 1875304564 NYGPETFFGISNCF-UHFFFAOYSA-N 347.216 2.565 0 50 EFAA CCN(CCN1CCOCC1)Cc1cnn(-c2cccc(Cl)c2)c1 952965674 BMGGFYFWRBTDEZ-UHFFFAOYSA-N 348.878 2.680 0 50 EFAA O=C1CC[C@@H](CN(Cc2ccncc2)Cc2cccc(F)c2F)N1 952860632 QMDRXBLJEOHWDW-HNNXBMFYSA-N 331.366 2.641 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)ccc1Cl 886097054 KMFXCIKZXQXPRP-CYBMUJFWSA-N 332.791 2.698 0 50 EFAA Nc1nc(C2CC2)nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 891793264 PQPCHPGLVXZEKJ-GFCCVEGCSA-N 336.399 2.856 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N1Cc2ncccc2N2CCC[C@H]2C1 890624335 ZLAOZMBJPKCSBZ-AWEZNQCLSA-N 347.422 2.512 0 50 EFAA Cc1cc(C(F)(F)F)cnc1N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 894885172 DPULCAASWOTUMD-SNVBAGLBSA-N 339.321 2.597 0 50 EFAA O=S1CCN(c2cc(C(F)(F)F)nc(-c3ccccc3)n2)CC1 1775989451 AWUWZYOJQQOOJT-UHFFFAOYSA-N 341.358 2.731 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H](CO)c2ccc(Br)cc2)o1 271269823 CYKMGZQRMXJXMS-LBPRGKRZSA-N 339.189 2.517 0 50 EFAA CN(Cc1cnccn1)c1ncc(C(=O)N2CCCCC2)cc1Cl 301299668 UIEKZHHGCBQREG-UHFFFAOYSA-N 345.834 2.788 0 50 EFAA Cn1c(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)nnc1C1CC1 275973185 NTYVSKTXSNFGMZ-HNNXBMFYSA-N 326.448 2.632 0 50 EFAA O=C1CNC(=O)N1Cc1cc(Cl)cc(Cl)c1OC(F)F 170068443 LFTXLRQICRBYQU-UHFFFAOYSA-N 325.098 2.647 0 50 EFAA CCn1c(S)nnc1C1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 170647258 LFOZCMIWXMDRKJ-CHWSQXEVSA-N 334.489 2.729 0 50 EFAA CC1(C)CC[C@H](NC(=O)c2cc3c(=O)[nH]cnc3cn2)c2ccccc21 187257348 GXMJPQCHYINIIQ-HNNXBMFYSA-N 348.406 2.861 0 50 EFAA Cc1nocc1NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 640486596 QTVHZHNSUQGUNP-LLVKDONJSA-N 343.412 2.843 0 50 EFAA CC(=O)N[C@H]1Cc2ccccc2N(Cc2cccc3c2OCCO3)C1 676720806 ZMXJLMAPJWUOPN-KRWDZBQOSA-N 338.407 2.525 0 50 EFAA CC1=CCN(C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)CC1 644404845 CQBSYBPHCDWQFU-FQEVSTJZSA-N 328.456 2.582 0 50 EFAA Cc1cnc(OC2CCN(Cc3ccsc3C(=O)O)CC2)nc1 656191006 JHXUWHNDCWTBMI-UHFFFAOYSA-N 333.413 2.588 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCc3cccc(Cl)c3)C[C@@H]2CC1=O 1529178595 OSTNJPWWCCLKRF-HLLBOEOZSA-N 348.874 2.988 0 50 EFAA Cn1ccc(C2CCN(C(=O)CCc3ccsc3)CC2)cc1=O 1772710695 QZQIEHITSBKOTI-UHFFFAOYSA-N 330.453 2.786 0 50 EFAA NC(=O)CCC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 12466308 KNNRXZITGQTEFH-KRWDZBQOSA-N 338.407 2.527 0 50 EFAA COc1ccc(CC[C@@H]2CCCN(C(=O)c3cnccn3)C2)cc1 12710199 WLJFCOXBAWXSRO-INIZCTEOSA-N 325.412 2.970 0 50 EFAA O=C(c1cccnc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 13323637 VFCGZEFFMRUDBR-UHFFFAOYSA-N 325.456 2.808 0 50 EFAA COc1cc(Br)c(CN2CCC[C@@H](CO)C2)cc1OC 15261104 JTFXTVMDKYJJJH-LLVKDONJSA-N 344.249 2.671 0 50 EFAA CC1CCN(c2nc3ncc4c(c3c(=O)[nH]2)CC(C)(C)CC4=O)CC1 19819853 KJPJBJYZZBPBGM-UHFFFAOYSA-N 340.427 2.710 0 50 EFAA CC(=O)N[C@H](C(=O)N1CCOc2ccc(C(F)(F)F)cc21)C(C)C 225603700 MKTQXHMCMSZORT-AWEZNQCLSA-N 344.333 2.592 0 50 EFAA O=C(N[C@H]1CCC[C@@H](O)C1)c1cccnc1OCc1ccccc1F 225625594 UFECVPICJGYVHR-LSDHHAIUSA-N 344.386 2.833 0 50 EFAA Cc1cnn(C[C@@H]2CN(C(=O)CCCc3cccs3)CCO2)c1 112067640 ZZYSBOJKHBCWGQ-HNNXBMFYSA-N 333.457 2.503 0 50 EFAA COc1ccccc1C(=O)NCC(=O)NCc1ccc(C2CC2)cc1 241930349 UHWLGVUSKLVBDS-UHFFFAOYSA-N 338.407 2.619 0 50 EFAA CN(C[C@H](O)C1CC1)C(=O)c1ccc2nc(C(F)(F)F)oc2c1 1875279679 IWQFABNSBFRRCU-NSHDSACASA-N 328.290 2.690 0 50 EFAA CCC1(O)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 352352259 GAFFHIZEKYGCGZ-UHFFFAOYSA-N 334.803 2.911 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 252018979 XETXDVJCOUTRLY-IRXDYDNUSA-N 331.460 2.557 0 50 EFAA COc1ncccc1NC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 253415384 HPNNDXOFAZIYCY-ABAIWWIYSA-N 349.337 2.708 0 50 EFAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)C2CC(=O)C2)C1 788152889 IQAXIGXQKUHXEI-AWEZNQCLSA-N 325.412 2.741 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCC[C@](CO)(c2ccccc2)C1 374963811 PLUMQJLSSBIZLS-FQEVSTJZSA-N 335.407 2.501 0 50 EFAA Cc1ccc(OCCN2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(C)c1 1704340148 ORNVKFYBAXIIER-ICSRJNTNSA-N 347.455 2.620 0 50 EFAA COc1c(C)cc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1C 839847645 XGFZERZSUAGMRK-KBXCAEBGSA-N 343.427 2.553 0 50 EFAA CC[C@@H](C(=O)N=c1[nH][nH]c(C)c1-c1ccc(OC)cc1)n1cccn1 2100534699 UKRPHXRFDPXOCH-HNNXBMFYSA-N 339.399 2.602 0 50 EFAA O=C(NCCc1noc2cc(F)ccc12)c1cnc2sccn12 2325878305 KQRZTCICNOWUJS-UHFFFAOYSA-N 330.344 2.649 0 50 EFAA COC(=O)c1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1 132375 CGFCIPNLRJVSST-UHFFFAOYSA-N 328.393 2.910 0 50 EFAA Cc1c(C(=O)NC(=S)NCc2cccnc2)oc2ccccc12 180589 KKMANWIRZZRUQF-UHFFFAOYSA-N 325.393 2.941 0 50 EFAA COc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1 217172 PYVXOFQEMRQIGC-UHFFFAOYSA-N 326.360 2.755 0 50 EFAA Cc1cc(C)n2nc(NC(=O)COc3ccc(Cl)cc3C)nc2n1 6704034 KMDFRCQHZBDGFR-UHFFFAOYSA-N 345.790 2.720 0 50 EFAA COc1ccc(-c2nnc(NC(=O)c3c(Cl)cnn3C)s2)cc1 6742146 MOQRJOOKHKIWGP-UHFFFAOYSA-N 349.803 2.853 0 50 EFAA Cc1cccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 100641814 HBIHYAVFDZDMPJ-FHWLQOOXSA-N 340.467 2.730 0 50 EFAA Cc1c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cnn1CC(C)C 344730577 OMLSSHZZAYSFFW-HNNXBMFYSA-N 332.492 2.794 0 50 EFAA O=C(O)c1cnc2c(c1)n(C[C@H]1CCCO1)c(=O)n2C1CCCCC1 55108935 CZKCOEGAGMFDJY-CQSZACIVSA-N 345.399 2.580 0 50 EFAA Cc1nc2ccc(NC(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2o1 116481615 YXIRICOGXKVIHZ-LBPRGKRZSA-N 325.372 2.891 0 50 EFAA CCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)Cc1cscn1 55197380 DEANGRULDIPALH-INIZCTEOSA-N 335.448 2.981 0 50 EFAA NC[C@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1 67982902 ZAMMAHNIKKZBLD-CQSZACIVSA-N 343.814 2.556 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCC(=O)Nc2ccc(Cl)cc2F)n1 65380753 HJUCUNIGUPUGBO-LLVKDONJSA-N 338.814 2.909 0 50 EFAA COc1ccc(C(=O)N2CCC(OCC3=CCCN(C)C3)CC2)cc1 67834031 FMYGPJVDNBXXSY-UHFFFAOYSA-N 344.455 2.578 0 50 EFAA Cc1cc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)ccn1 119541816 ZRLWZPCKNAITTI-UHFFFAOYSA-N 344.440 2.878 0 50 EFAA CCN1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@H](C)C1 253404275 IHMGFIHYGMMVKP-WBMJQRKESA-N 334.851 2.790 0 50 EFAA O=C(NC[C@H]1CCSC1)N1CCC[C@H](Oc2ncccc2F)C1 253426213 GCPSAMWWEKPESO-OLZOCXBDSA-N 339.436 2.527 0 50 EFAA COCC1(C)CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 358980687 LXDYKYARJBZCGA-UHFFFAOYSA-N 333.388 2.537 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N[C@H](CO)c1ccccc1 180952548 YUTZYUQNXHOFMY-MRXNPFEDSA-N 339.420 2.597 0 50 EFAA C[C@]1(c2ccccc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 8670577 OBGAHUXKCOFNDS-WMLDXEAASA-N 340.477 2.728 0 50 EFAA O=C(c1cncc(-c2ccccn2)c1)N1CCc2ccccc2[C@H]1CO 364300335 CIGFBQZQAXLGDR-HXUWFJFHSA-N 345.402 2.876 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)c2ccsc2)o1 328615468 YNTYFOJCISGMKE-WCQYABFASA-N 335.429 2.958 0 50 EFAA Cc1nc2ccc(C(=O)N3CCOC[C@H]3c3cccn3C)cc2o1 376836480 KKJPIHCDWCSWED-INIZCTEOSA-N 325.368 2.688 0 50 EFAA CCOC(=O)c1coc(N2CCC(Oc3ccccc3OC)CC2)n1 77379796 ZZXVHLBNDHRSPI-UHFFFAOYSA-N 346.383 2.908 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCC1C2CC3CC(C2)CC1C3 490231372 UFVDHSXLSUPYQZ-OLKDXYPGSA-N 345.487 2.511 0 50 EFAA O=C(O)c1ccnc(-c2ccnc(NC3Cc4ccccc4C3)n2)c1 72432742 HOHDNCKFXZBPPJ-UHFFFAOYSA-N 332.363 2.816 0 50 EFAA Cc1cc(C)c(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)c(C)n1 331719330 QRRMHMVNIDOVDY-ZDUSSCGKSA-N 328.420 2.817 0 50 EFAA C[C@@H]1CSc2ccccc2CN1C(=O)c1cccn2c(O)nnc12 372274730 SFTTYWUOBIGQJD-LLVKDONJSA-N 340.408 2.572 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1CCC(=O)NC12CCC2 282641266 HAUIIYXDKIOXRA-CYBMUJFWSA-N 340.345 2.565 0 50 EFAA CC(=O)NCCNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 172945767 XOHZLAFJSPCZHT-UHFFFAOYSA-N 336.313 2.637 0 50 EFAA O=C(C[C@@H]1CSCCS1)NCc1cnn(Cc2ccccc2)c1 158149955 MAYKTBGHKWDBLB-MRXNPFEDSA-N 347.509 2.786 0 50 EFAA Cc1nc2cc(-c3nn4c([C@H]5CCCO5)nnc4s3)ccc2[nH]1 71746569 YOQAALBLZCPXDW-GFCCVEGCSA-N 326.385 2.889 0 50 EFAA Cc1cc(C)c2cc(C(=O)NC(C)(C)CCS(C)(=O)=O)[nH]c2c1 173313249 DULYYIVEJJYUNO-UHFFFAOYSA-N 336.457 2.728 0 50 EFAA O=S(=O)(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1cccc2c1OCC2 333760346 COEWRZPKEUMWAH-KBAYOESNSA-N 341.432 2.628 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1 240786110 IALUFTNFUNKSGC-WDSOQIARSA-N 345.487 2.747 0 50 EFAA CCCN(CCC)C(=O)CN1[C@H]2CC[C@H]1[C@H](C(=O)OC(C)(C)C)C2 241301086 LQGNCPMKXDOGGQ-XHSDSOJGSA-N 338.492 2.830 0 50 EFAA CCn1ccnc1[C@@H](NCc1cccc(OC)n1)C1CCOCC1 284407833 CRYZJOBAPQTFNN-KRWDZBQOSA-N 330.432 2.564 0 50 EFAA C[C@H]1OCCN(Cc2cn3ccccc3n2)[C@@H]1c1nc(C2CC2)no1 284746511 YIOYBGXOYJLROV-WBMJQRKESA-N 339.399 2.557 0 50 EFAA CCN([C@@H]1CCOC(C)(C)C1)S(=O)(=O)c1ccc2c(c1)CCO2 290273306 UQTZHRNTUUPTCG-CQSZACIVSA-N 339.457 2.590 0 50 EFAA Cc1ncn(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C 221422205 UMCANKNNTUHREH-UHFFFAOYSA-N 337.427 2.782 0 50 EFAA COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cn1 289776043 KQFDSOJOOWITML-UHFFFAOYSA-N 348.712 2.906 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)C(=O)O 426538737 ZKHQVPYNIMIQRU-QGZVFWFLSA-N 332.444 2.902 0 50 EFAA CCC[C@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 91596157 BZMKYLJTSUZYRT-HNNXBMFYSA-N 332.492 2.941 0 50 EFAA O=C(Nc1ccc(Cl)cc1Cl)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91643879 OOHUKEHFJNRODH-BETUJISGSA-N 345.226 2.733 0 50 EFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H]1c1cc(C(C)C)on1 95360426 ASHRFXFDVWKFOM-HNNXBMFYSA-N 343.431 2.940 0 50 EFAA COCC1(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)CCC1 97272472 ZENVBRBVSNPJNF-KRWDZBQOSA-N 327.428 2.947 0 50 EFAA COCC1(CNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CCCC1 91680253 BABILTBSFPOHAS-UHFFFAOYSA-N 329.400 2.719 0 50 EFAA CC(C)S(=O)(=O)CCn1cc(-c2ccc(F)c(Cl)c2)nn1 91933999 JMYIVLFHPJFJGL-UHFFFAOYSA-N 331.800 2.561 0 50 EFAA CNC(=O)c1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1C 97261442 CZWJXITYJOMEFI-UHFFFAOYSA-N 342.395 2.553 0 50 EFAA c1cnn(Cc2nnc(C3CCN(c4ccncc4)CC3)n2C2CC2)c1 91808033 BBKIXFSIEXNOAQ-UHFFFAOYSA-N 349.442 2.637 0 50 EFAA NCCc1cccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 91390898 LPZHECPOQUQELY-UHFFFAOYSA-N 341.499 2.555 0 50 EFAA CC(=O)Nc1cccc2c1CCN(Cc1ncn(-c3ccccc3)n1)C2 181545918 IURDOSQXZUDGBV-UHFFFAOYSA-N 347.422 2.784 0 50 EFAA CC(C)OCCCNC(=O)c1ncn2c1CO[C@H](c1ccccc1)C2 263618835 VSXQCYDGGBDYCI-KRWDZBQOSA-N 343.427 2.700 0 50 EFAA CCc1nc(C)sc1CNC(=O)c1ccc(OCCCN)cc1 299780897 CTGXEDQCYTZJOW-UHFFFAOYSA-N 333.457 2.672 0 50 EFAA COc1cccc(C(=O)N[C@H](C)c2cccc(C)n2)c1OCCCN 299783878 ZPQMRFHLJGVKRC-CQSZACIVSA-N 343.427 2.617 0 50 EFAA Cn1ccc2c(C(=O)N3CCN(C4CCSCC4)CC3)cccc21 299799775 SFUBPSXRFHDQIW-UHFFFAOYSA-N 343.496 2.832 0 50 EFAA O=C(CCN1CCCC1=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 828057152 DEHIIUQZAZWWGR-QGZVFWFLSA-N 346.427 2.586 0 50 EFAA Cc1nn(CCNc2ncccc2C(=O)N2CCCCC2)c(C)c1C 828188924 MXZCADLIFOVIGO-UHFFFAOYSA-N 341.459 2.942 0 50 EFAA COc1ccccc1OCc1nc(-c2cc(C)oc2C)n(CCO)n1 828778542 WOEWBUCYKLWYBZ-UHFFFAOYSA-N 343.383 2.735 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)NCCSc1ccc(Cl)cc1 584892263 IAMSPYYNPHNKRV-NSHDSACASA-N 343.880 2.598 0 50 EFAA CCc1nccn1CCCNC(=O)c1cc(O)nc2cc(F)ccc12 823557543 UALRBXAQPZOJQW-UHFFFAOYSA-N 342.374 2.659 0 50 EFAA CCc1nc(CN(C)C(=O)NCCc2ccccc2OC(C)C)no1 584897697 CBTHEQCPQBUIDO-UHFFFAOYSA-N 346.431 2.803 0 50 EFAA Cc1cn(CC(=O)N[C@@H]2C[C@H](O)c3ccccc32)nc1C(F)(F)F 862191567 OQBCHCPFEJMMBO-OLZOCXBDSA-N 339.317 2.505 0 50 EFAA COc1cc(S(N)(=O)=O)c(OC)cc1[C@@H]1C[C@H]1c1ccccc1 952878182 BAXKSDNLXURTRV-QWHCGFSZSA-N 333.409 2.622 0 50 EFAA C[C@@H](CC(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1)N1CCCC1=O 1875299401 JQFNPEPAZYFPEF-KBPBESRZSA-N 348.418 2.638 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccncc3)C3CC3)n[nH]c21 1875394562 NIGIOLBEDJJHFB-NEPJUHHUSA-N 326.400 2.632 0 50 EFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccccc1C1CCC1 1875402168 AUAUAARWYDIQIR-NIKGAXFTSA-N 339.439 2.720 0 50 EFAA CCc1cccc(OC2CN(C(=O)c3nnc(O)c4ccccc34)C2)c1 952976867 IMAYFOZTMXXHOP-UHFFFAOYSA-N 349.390 2.801 0 50 EFAA Cc1ccccc1-c1ncc(CNCCN2CCC[C@H](CO)C2)s1 952986212 YURCQMUYVFJBJR-INIZCTEOSA-N 345.512 2.912 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(Cc2ncc(C)o2)C1 886097107 NSLMYDOPQOEJBS-ZBFHGGJFSA-N 339.399 2.730 0 50 EFAA Cc1cncc(CCn2cc(-c3csc(CC(C)C)n3)nn2)n1 887456188 ACMGIHAOBGTNEY-UHFFFAOYSA-N 328.445 2.941 0 50 EFAA CC1CCN(c2ccc(CNC(=O)N3CC(OC(C)C)C3)cn2)CC1 891825292 HNHVEFZHFMDILA-UHFFFAOYSA-N 346.475 2.637 0 50 EFAA Cc1ccc([C@H]2CN(c3cc(N4CCSCC4)ncn3)CCO2)o1 302866150 YMBGLCGYYXQDBM-OAHLLOKOSA-N 346.456 2.509 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCO1 271449698 HOXSYGANMGZQMI-QGPMSJSTSA-N 334.435 2.721 0 50 EFAA CC(C)c1nnc(CNC(=O)C[C@@H]2CCc3ccccc3C2)n1C 273412016 IVMVVDXHMWYQBG-CQSZACIVSA-N 326.444 2.750 0 50 EFAA COCc1ncc2c(n1)CCN(C(=O)c1cccc(-n3cccc3)c1)C2 633739020 OTHZPITWITYCNP-UHFFFAOYSA-N 348.406 2.612 0 50 EFAA CN(C)c1ncc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1C 278535398 BOZXKNNAVZABIR-GHMZBOCLSA-N 338.864 2.621 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nc(N(C)C)no2)cc1 170618814 RQOMUWWYOQFUBO-AWEZNQCLSA-N 343.387 2.707 0 50 EFAA CN(C)C(=O)CC1CCN(Cc2ncc(C(F)(F)F)s2)CC1 279394788 LTSVYQLZGZYXPL-UHFFFAOYSA-N 335.395 2.852 0 50 EFAA CC[C@@H]1C[C@H](C(=O)NC2(c3ccc(OC)cc3)CCCC2)CC(=O)N1 680430227 SWUQVBDKBKJYQW-GOEBONIOSA-N 344.455 2.886 0 50 EFAA COc1cccc(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 171323229 VOCQALUUZBAPTD-MRXNPFEDSA-N 345.374 2.512 0 50 EFAA Cc1c(N2CCC[C@@](C)(O)CC2)nn2c(C(F)(F)F)nnc2c1C 280421185 JRYQRTSMWBSYFK-CQSZACIVSA-N 343.353 2.501 0 50 EFAA COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1cc(C)nn1C)C2 685616924 LPROZYVXIQTEGL-UHFFFAOYSA-N 326.400 2.816 0 50 EFAA O=C1c2ccccc2-c2nn(C[C@]3(O)CCCOC3)c3cccc1c23 656694146 GUVRYHDOYHETHS-HXUWFJFHSA-N 334.375 2.789 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)Nc1ncn(C2CCCCC2)n1 669503217 CBJSRLSEBXWREI-UHFFFAOYSA-N 343.387 2.803 0 50 EFAA CN1CC[C@@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@@H]21 212612428 KVLQQYQUVJCJPT-ZBFHGGJFSA-N 327.453 2.510 0 50 EFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc(F)ccc1Cl 1529178192 KGCYNMZMMYEJSL-MLGOLLRUSA-N 334.778 2.862 0 50 EFAA O[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1Cc1ccccn1 1704301173 NIUBDGYALSXZEZ-DNVCBOLYSA-N 330.403 2.525 0 50 EFAA COc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc1Cl 1616071740 NLRTXHXUUSVJRA-RDJZCZTQSA-N 332.831 2.779 0 50 EFAA COc1cc(CN2C[C@H]3C[C@@H](O)[C@H]3C2)c(Cl)cc1OC(C)C 1772708149 CQSVOSYVAGQJSY-OSAQELSMSA-N 325.836 2.948 0 50 EFAA O=C(CCc1nc2ccccc2s1)N1CCC[C@@H](C2(O)CC2)C1 1772814756 ACMGQDALUCMRMT-CYBMUJFWSA-N 330.453 2.992 0 50 EFAA Cc1ccc(SCC(=O)N2CCN(c3ccccn3)CC2)cc1 5047609 HBPYQSRCGGWQMK-UHFFFAOYSA-N 327.453 2.831 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 11753953 PXZNCMCHMIXJAK-INIZCTEOSA-N 330.428 2.618 0 50 EFAA CC[C@@H](O)CNC1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 12157405 YDHQCFVXDBGAQR-MRXNPFEDSA-N 328.460 2.576 0 50 EFAA CCCN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 13324170 KHVXJAYACRMULZ-UHFFFAOYSA-N 330.350 2.638 0 50 EFAA Cc1ccccc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 15879965 OOWLATBGBPVOEG-GJZGRUSLSA-N 326.396 2.665 0 50 EFAA O=C(COc1ccccc1F)N1CCN(Cc2ccccc2)CC1 16604628 MARZEOLGHHDJMR-UHFFFAOYSA-N 328.387 2.549 0 50 EFAA Clc1ccc2nc(-c3nccn3C[C@H]3CNCCO3)ccc2c1 1857683645 YLOQRHMAIYZGSF-CQSZACIVSA-N 328.803 2.740 0 50 EFAA Cc1ccc2nc(O)c(-c3nccn3CCNC(=O)C(C)C)cc2c1 1857696134 OGWYCSRHJLGGPH-UHFFFAOYSA-N 338.411 2.885 0 50 EFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NC(C)C)C3)nc2c1 1857711083 GPEKVNJZDAIZTE-CYBMUJFWSA-N 331.416 2.968 0 50 EFAA CCCC[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H](C2CC2)O1 1857722564 YJNSNEBWGNDHGH-IAGOWNOFSA-N 327.432 2.836 0 50 EFAA CNC(=O)c1ccc(NCc2cccc(C)c2Br)nn1 302783636 UBECZJPSQRYDQT-UHFFFAOYSA-N 335.205 2.519 0 50 EFAA NC(=O)c1cnc(N2CCC[C@@H](COc3ccccc3Cl)C2)cn1 408514056 CNWUNHGUSWISHF-GFCCVEGCSA-N 346.818 2.524 0 50 EFAA O=C1C[C@H]([C@@H]2CCCCN2Cc2ccc(Br)o2)CN1 225395172 WOSGHHRHMRKHCL-JQWIXIFHSA-N 327.222 2.533 0 50 EFAA COc1ccc(/C=C/C(=O)O)cc1Cn1cc(Br)cn1 6406576 UMKOWEZMSWVOST-HWKANZROSA-N 337.173 2.800 0 50 EFAA in-vitro COc1cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)on1 660159272 ZJXZYKUICUSDNV-AWEZNQCLSA-N 340.326 2.858 0 50 EFAA COc1cc(OC)c(OC)cc1CN[C@@H](C)c1c(C)nn(C)c1C 252488492 ITCFEBISMOOIJO-NSHDSACASA-N 333.432 2.914 0 50 EFAA CCc1nc([C@H]2CCCCN2C(=O)c2cc(C(C)C)n(C)n2)no1 363349202 OAHWRISSUDHEFT-CYBMUJFWSA-N 331.420 2.856 0 50 EFAA Cc1ccncc1CC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 914130694 HEZWSHHARPZNIB-IEBWSBKVSA-N 340.423 2.942 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3nnn(C)c3C(F)F)cc2)n1 900860867 BQSSRVLLMDXONW-UHFFFAOYSA-N 346.341 2.808 0 50 EFAA CCOc1nc(C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)co1 905435322 GWJRBGOTCDNUIT-SNVBAGLBSA-N 344.293 2.732 0 50 EFAA CN(CCC1CCOCC1)C(=O)C[C@H]1CC(=O)Nc2ccccc21 934554714 AQHADQWHCHNXPA-OAHLLOKOSA-N 330.428 2.778 0 50 EFAA CCn1cc(CC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)nn1 935248479 CHYPMAFEMRMFEA-CQSZACIVSA-N 334.807 2.524 0 50 EFAA O=C1OCC[C@@H]2[C@H]1[C@H]1CCCN1C21CCN(Cc2ccccc2)CC1 4722429 QTWXGPYSKRWGJN-QRVBRYPASA-N 340.467 2.679 0 50 EFAA CCC[C@@]1(C(=O)O)CN(c2cc(C(F)(F)F)ccn2)CC[C@@H]1O 2100482541 GWNKKNJDHOMFNG-SMDDNHRTSA-N 332.322 2.543 0 50 EFAA O=C1C[C@H](c2ccccc2)N(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)N1 2325781760 HKRWDPWYJHVLLO-WAOWUJCRSA-N 332.403 2.895 0 50 EFAA O=C(O)c1ccc(C(=O)NC2([C@@H](O)c3ccc(F)cc3)CCCC2)o1 2325788668 VRXMPEGQNPYNFU-HNNXBMFYSA-N 347.342 2.893 0 50 EFAA O=C(O)c1cnc([C@@H]2CCCN2C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1 2325810111 QTRROFGNUWCEIN-HOSILWTGSA-N 341.411 2.831 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 45228 VIWWSZASCMSWAX-UHFFFAOYSA-N 326.396 2.849 0 50 EFAA COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1 181500 ZQTQIWAZMRZTSV-UHFFFAOYSA-N 327.306 2.535 0 50 EFAA Cc1cc(OCC(=O)NCc2ccncc2)ccc1Br 186295 WVFBNPSQFOTBGC-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)S1 307449 OPNZXNDTLOAKIE-AWEZNQCLSA-N 341.392 2.764 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2 617644 NOSFXVZCIRLVSK-UHFFFAOYSA-N 329.381 2.569 0 50 EFAA O=C(c1cccc(F)c1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 1070085 XUNPWKQPBBGGRF-MRXNPFEDSA-N 331.368 2.783 0 50 EFAA C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1234741 OUSUXRAPNSPCTF-CQSZACIVSA-N 336.391 2.940 0 50 EFAA C[n+]1ccc(-c2nc3sc(-c4cc[n+](C)cc4)nc3s2)cc1 2519611 DIDMSLJGTBRFMR-UHFFFAOYSA-N 326.450 2.736 0 50 EFAA O=C(Nc1ccc(F)cc1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356167475 PVUXBFUCILBNMF-SFHVURJKSA-N 331.391 2.977 0 50 EFAA CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1 6741588 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2.961 0 50 EFAA O=C(CCc1cccc2ccccc12)NCCCN1CCOCC1 67338888 WPFZDZKKPIMMDN-UHFFFAOYSA-N 326.440 2.611 0 50 EFAA CCc1ccc2oc(=O)cc(CN(C)C[C@H](C)N3CCOCC3)c2c1 65461612 XKRMSXPNPBRNTP-HNNXBMFYSA-N 344.455 2.508 0 50 EFAA CSc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1 20275290 QGEBHBPCCXVNLO-UHFFFAOYSA-N 327.453 2.762 0 50 EFAA Cc1cc(N2CCC(Cn3cc(CO)nn3)CC2)c2ccccc2n1 23429333 IKDYMEWFHYMUAZ-UHFFFAOYSA-N 337.427 2.544 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)c2nc3c(s2)CCCC3)no1 67604446 VUXPYLNTWKFGJD-UHFFFAOYSA-N 334.445 2.843 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)c1cccc(F)c1 229558266 CVNDFBKYTXSOGF-KZNAEPCWSA-N 334.435 2.725 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@H]3C[C@@H](C)OC3=O)C2)cc1 230197667 GHXLPIVMYBLEIE-VYDXJSESSA-N 345.443 2.533 0 50 EFAA O=C(O)C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 249152 PKPITNALFNRYTK-NEPJUHHUSA-N 331.290 2.914 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)c2csc(-c3nc[nH]n3)n2)cs1 330056501 VYMOIKJGCUXMMD-LLVKDONJSA-N 346.441 2.670 0 50 EFAA CNc1nc(C)cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)n1 253417937 IUQCYFXPDHYHAY-YOEHRIQHSA-N 340.427 2.737 0 50 EFAA CCn1ncc2c1CCC[C@H]2NC(=O)C[C@@H](O)c1cccc(F)c1 362273020 MJLUJOXWTZVTHS-NVXWUHKLSA-N 331.391 2.659 0 50 EFAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1csnn1 32497963 HOFKFPFEYPLOAJ-CQSZACIVSA-N 336.848 2.758 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3CN)c2)cn1 237794786 QNIHCVLXSDTOBE-QGZVFWFLSA-N 325.412 2.532 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 237951758 JIBCNMKFSCZERE-MVIFTORASA-N 329.274 2.532 0 50 EFAA Cc1nc(C)c(CCC(=O)N2CCC(c3ccccn3)CC2)c(O)n1 378261137 OQIHPKXLFHPGSH-UHFFFAOYSA-N 340.427 2.533 0 50 EFAA CCn1c(COc2ccccc2OC)nnc1N1CCC(OC)CC1 283503778 PDRGGWGIRIKCTQ-UHFFFAOYSA-N 346.431 2.501 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1cnn(-c2cccc(F)c2)c1 77302438 WSPFYZRAWLEXSN-GOSISDBHSA-N 344.434 2.844 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1ccccc1OC(F)F)CCNC2 72475762 UVLKMBULBBHTCB-UHFFFAOYSA-N 347.365 2.567 0 50 EFAA C[C@@H](c1ccc(F)cc1)n1ccnc1-c1cc2n(n1)CCCNC2 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2.742 0 50 EFAA CNc1ncc(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)cn1 91350755 KAWJKMXXEKFVID-GFCCVEGCSA-N 332.429 2.704 0 50 EFAA Cc1cccn2c(CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cnc12 97730168 WYQVZPIJHOHMTJ-ZDUSSCGKSA-N 333.395 2.939 0 50 EFAA O=C(CC1CCCC1)NC1CCN(Cc2cccc3nccn23)CC1 180187247 WZSHUSTZFRRVSZ-UHFFFAOYSA-N 340.471 2.995 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N1CCC(N2CCSCC2)CC1 97766233 KXHBDAUFLDUUOC-UHFFFAOYSA-N 345.512 2.614 0 50 EFAA COc1cccc2ccc(N3CCC(N4CCC[C@@H](O)C4)CC3)nc12 95379925 KCJBOUBGDLMBFC-QGZVFWFLSA-N 341.455 2.669 0 50 EFAA O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCCC[C@@H]1c1ncc[nH]1 180873026 HWHMYXVUQYIOIR-LSDHHAIUSA-N 348.447 2.722 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 95506017 OSWNVAOHKUQZTH-AWEZNQCLSA-N 346.431 2.661 0 50 EFAA CCOC(=O)c1ccc(NC(=O)N(CC)Cc2nc(C)no2)cc1 97324004 ALOJKCIORXTFPC-UHFFFAOYSA-N 332.360 2.609 0 50 EFAA O=C(CN1CCCCCCC1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244719173 LYFYNBLIKGDRBF-UFYCRDLUSA-N 344.499 2.751 0 50 EFAA CCc1ccnc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 181797582 MQVSKTGWTFMZFW-UHFFFAOYSA-N 329.444 2.509 0 50 EFAA CN(C)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1 252527677 DDGKGZWAXXZHMY-IHPCNDPISA-N 338.451 2.865 0 50 EFAA O=C(CCc1cccc(O)c1)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 252523167 BZNXRMMNMAJASF-MISYRCLQSA-N 339.435 2.823 0 50 EFAA O[C@@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccccc1 298191354 ARHFUFZSZMFVOE-MSOLQXFVSA-N 340.471 2.918 0 50 EFAA CCCn1cnnc1CNC(=O)N(CC)C/C=C/c1ccccc1 534584476 JZOJYNMRXQXZIL-DHZHZOJOSA-N 327.432 2.933 0 50 EFAA CN(C)C1(CNS(=O)(=O)Cc2ccc(F)cc2F)CCCCC1 540939541 OACYRSVGKLICDD-UHFFFAOYSA-N 346.443 2.649 0 50 EFAA CC(C)(O)Cn1nc(C2(c3ccccc3)CC2)nc1[C@H]1CCOC1 670439517 ZJKFCFMGGOTSTF-AWEZNQCLSA-N 327.428 2.633 0 50 EFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNc3ccc(C(F)(F)F)cn3)C2)n1 952890269 WCDVAZGDKGTGOI-HOSYDEDBSA-N 342.321 2.758 0 50 EFAA CCOc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1 1161977021 HYXRIOZVVSYJNW-CYBMUJFWSA-N 349.456 2.904 0 50 EFAA Cc1ccc2[nH]c(C(=O)O)c(CN3CC[C@H]4CC[C@@H](C3)N4C)c2c1 71260787 CPRLXENOJQCXNB-KGLIPLIRSA-N 327.428 2.843 0 50 EFAA Cc1cc(CCC(=O)NS(=O)(=O)c2ccccc2C(C)C)no1 1875284115 MIQIILXUFFKQNL-UHFFFAOYSA-N 336.413 2.544 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@H]3CCc4c[nH]nc4C3)[C@H]2C1 1875275073 UQYVSKYIMFDZTQ-VGWMRTNUSA-N 346.475 2.502 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Oc3nccs3)cc2)cn1 1875381471 WHQDEYCWIOBSRB-LHSJRXKWSA-N 342.424 2.932 0 50 EFAA CN(C)c1nc2ncnc(N3CCC=C(c4ccccn4)C3)c2s1 1875305159 JJRXUFHWINIBAN-UHFFFAOYSA-N 338.440 2.841 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3cc(O)cc(F)c3)C2)cc(=O)n1C 1875310587 VJOVFGYOLBSAIN-CYBMUJFWSA-N 344.386 2.558 0 50 EFAA Cc1ccccc1Cn1ccc(=NC(=O)c2csc3nccn23)[nH]1 1875341042 DEKOGLAPFZEKLO-UHFFFAOYSA-N 337.408 2.623 0 50 EFAA COc1cc(NC(=O)CCCc2cccs2)cc(-n2cnnn2)c1 952990971 YTXALPWXLXDDJE-UHFFFAOYSA-N 343.412 2.694 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1coc(C2CCCCC2)n1 886726451 NEJPJNPKTIVJLK-AWEZNQCLSA-N 333.432 2.757 0 50 EFAA CCOc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCc3nc[nH]c31)CCO2 1775987149 DNSFFLJVHVNHGQ-DZGCQCFKSA-N 341.411 2.868 0 50 EFAA CCc1cc(C(=O)N[C@H]2[C@H](Cc3ccccc3)[C@@H]3OCC[C@H]23)no1 1565508695 QRRUYEQQKKTODF-CYGHRXIMSA-N 326.396 2.613 0 50 EFAA Cc1cc(O)nc(CNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)n1 898262804 LMCSCSUGLORLOZ-JTQLQIEISA-N 339.317 2.929 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Br)cn1 248127446 MCOIZIDSJDUWHO-UONOGXRCSA-N 338.249 2.543 0 50 EFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)cccc2c1C 408220529 XIVLTYDCBHEJHU-KSZLIROESA-N 342.439 2.787 0 50 EFAA Cc1cc(Cl)cc(C)c1CNCC1(S(C)(=O)=O)CCOCC1 170054728 RHSCMYCJSMUMKT-UHFFFAOYSA-N 345.892 2.640 0 50 EFAA CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1nccs1 170022802 VYAYQWINCYHBRH-BSAWIPCISA-N 343.518 2.973 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)[C@H]1C[C@H]1C)C(=O)O 746368052 RNVCYJVZLHEVCS-OELKAKTESA-N 345.374 2.526 0 50 EFAA CCN1CCCC[C@H]1C(=O)NC1CCN(c2ccccc2OC)CC1 171481260 TWBBHFVSBNVRFU-SFHVURJKSA-N 345.487 2.655 0 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11817299 BMGNTJFNNTVQAL-HNNXBMFYSA-N 329.473 2.672 0 50 EFAA O=C(NCCc1ccccn1)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1 12244603 HKSSKEAPMUJLIX-KRWDZBQOSA-N 343.814 2.781 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccon3)C2)c(OC)c1 13593239 WUQCBHDARGBBSK-CYBMUJFWSA-N 330.384 2.787 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218981998 ROMXZOPOWQVTDR-FTRWYGJKSA-N 335.407 2.665 0 50 EFAA C[C@H](NCc1nn(C)cc1Cl)c1cc(C2CCOCC2)nn1C 1857530109 XMEWFEVJTVMOOA-NSHDSACASA-N 337.855 2.552 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(CCCn1ccnc1)CC2 1857695629 RNMOZSFDAWGPNN-UHFFFAOYSA-N 335.455 2.775 0 50 EFAA CCn1cnc2c(N3CCC4(CCC(N(C)C)CC4)CC3)ncnc21 408524536 VKXFCSCYKMUSDQ-UHFFFAOYSA-N 342.491 2.937 0 50 EFAA CC[C@H](C(=O)N1CCC(NCc2cnn(C)c2)CC1)c1ccccc1 237078875 OYDKTSUWVAYKCI-IBGZPJMESA-N 340.471 2.695 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 237401171 APBCLMSWXOJEHG-JUDXGUMMSA-N 337.261 2.891 0 50 EFAA Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1COc2c(Cl)cccc21 649122406 JKXJHINWRJLFAC-SECBINFHSA-N 345.708 2.956 0 50 EFAA Cc1ccc2cc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)[nH]c2c1 237887178 HVPMNXUBPAKQKL-AWEZNQCLSA-N 330.384 2.572 0 50 EFAA Cc1cccc2c1OCC[C@H]2NC(=O)NCc1csc(N(C)C)n1 252484040 FMQNIJQRMZLIHD-CQSZACIVSA-N 346.456 2.841 0 50 EFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c[nH]cc(C)c3=O)[nH]c2c1 679181688 WVMZHWSCWCBLLF-INIZCTEOSA-N 336.395 2.845 0 50 EFAA CN(C)CCn1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)n1 151067883 JZECDHKEQYZIEP-UHFFFAOYSA-N 345.834 2.761 0 50 EFAA Cc1cc(Cc2nc(-c3ccc4oc(N(C)C)nc4c3)no2)no1 904029080 LWUOKNNLSFUGMW-UHFFFAOYSA-N 325.328 2.831 0 50 EFAA Cc1c(C[C@@H](CN)CO)cccc1-c1ccc([C@@H]2CCC(=O)N2)cc1 906203734 DRHFFBVALHRIET-YWZLYKJASA-N 338.451 2.723 0 50 EFAA CN1CC[C@H]2CN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@@H]2C1 812335218 UWALNUXYEXISJJ-HOTGVXAUSA-N 341.480 2.763 0 50 EFAA CCOc1n[nH]c(NC(=O)c2c(F)ccc(Br)c2C)n1 828654819 OTHSBSMIFPAYOQ-UHFFFAOYSA-N 343.156 2.666 0 50 EFAA CC(C)Cn1[nH]c(CC(=O)N2Cc3ccccc3[C@H](C)C2)cc1=O 929374285 LJXLZUAXFHCKFS-CQSZACIVSA-N 327.428 2.521 0 50 EFAA COc1ccccc1C(=O)n1ncc2c1c1ccccc1n2CC(=O)O 1857533517 NATYILTYYFMPKC-UHFFFAOYSA-N 349.346 2.773 0 50 EFAA CCc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1C 11663665 HRCLNHPUSFIKOU-OAHLLOKOSA-N 344.434 2.814 0 50 EFAA CN(CCC(=O)N1CC[C@H](n2cc3ccccc3n2)C1)c1ccncc1 2325730659 VYDUIZXAVHTTIA-SFHVURJKSA-N 349.438 2.731 0 50 EFAA Cc1cc(-n2cc(Cl)cn2)ccc1CN1CC[C@@H](c2cnn[nH]2)C1 2325775416 FRSMRXGXRNVMKU-CQSZACIVSA-N 342.834 2.942 0 50 EFAA Cc1cc(-n2ccnc2)ccc1C(=O)N1CC(C)(CCN(C)C)C1 2325802397 FRDRBEWCNOQKOS-UHFFFAOYSA-N 326.444 2.595 0 50 EFAA CC(C)c1ccc(-c2csc(N3CCN(CC(N)=O)CC3)n2)cc1 2325866576 QDOJHLYPONONFN-UHFFFAOYSA-N 344.484 2.541 0 50 EFAA CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 2912065 AXRSPHGEZURIFQ-CYBMUJFWSA-N 342.395 2.910 0 50 EFAA CCn1c(SCC(=O)OC)nnc1-c1ccc(Br)o1 6731009 NHGFULSFJZWPQA-UHFFFAOYSA-N 346.206 2.586 0 50 EFAA Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCOCC3)nc2C1 10156889 JDYZZNGDCXNTFF-HNNXBMFYSA-N 337.423 2.843 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](c1ccc2ccccc2c1)[C@H](O)C(=O)O 8700673 DQUFRNIKBQMWFX-GJZGRUSLSA-N 331.368 2.851 0 50 EFAA CN(C(=O)c1cc(Cl)ccc1Br)C1CCNCC1 226207171 JMOFQLVUPNCGQR-UHFFFAOYSA-N 331.641 2.927 0 50 EFAA CC(=O)Nc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 114362680 APHNHYGSKLEADL-GOSISDBHSA-N 339.395 2.866 0 50 EFAA CCCCOCC(=O)Nc1cc(C(N)=O)ccc1N1CCCC[C@H]1C 55253940 GJYDDSYCYZMETJ-CQSZACIVSA-N 347.459 2.920 0 50 EFAA CC[C@@H](C)c1ccccc1OCC(=O)NCCCc1nnc(N)s1 63833076 KELWASBXBKGPAG-GFCCVEGCSA-N 348.472 2.762 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3[C@H]4CC[C@@H]3CNC4)c(C)o2)c1 67868125 HFMBWTRDDRLFNS-OKILXGFUSA-N 343.427 2.603 0 50 EFAA COc1cccc(NC(=O)NC[C@H]2CCCN(C3CCOCC3)C2)c1 67713648 PBLHKCJWSVHFNV-OAHLLOKOSA-N 347.459 2.708 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 249685080 FFSFKCQVYIMXPC-RTBURBONSA-N 338.455 2.961 0 50 EFAA O=C(NCc1cnc(C2CC2)o1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 333680888 PJOZNDQHZJUPSB-RHSMWYFYSA-N 344.459 2.710 0 50 EFAA O=C(O)CC[C@H](NC(=O)c1noc2c1CCCC2)c1ccccc1 139426343 AWUBXFPBZBPDIN-AWEZNQCLSA-N 328.368 2.889 0 50 EFAA NC(=O)c1noc([C@@H]2CCCN2Cc2csc3ccccc23)n1 328622270 BBAUMIIHQFYOMG-LBPRGKRZSA-N 328.397 2.720 0 50 EFAA Cc1nc(N2CCCC2)nc(N2CCC[C@H](c3ccn[nH]3)C2)c1C 67851527 QPVGIZSRLGSLMR-HNNXBMFYSA-N 326.448 2.801 0 50 EFAA COCC(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 67629659 XCJFQEGCFXPLKH-UHFFFAOYSA-N 341.415 2.714 0 50 EFAA CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2244127 FBUDYESOPLBQIR-LLVKDONJSA-N 344.205 2.970 0 50 EFAA biogenic Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCc1ccco1 3092908 CINGPRJRJRKWAR-UHFFFAOYSA-N 331.397 2.561 0 50 EFAA c1cncc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)c1 77389077 JOKILFAMVNZTAN-UHFFFAOYSA-N 333.439 2.649 0 50 EFAA NC(=O)COc1ccc(Cl)cc1-c1nccn1C[C@H]1CCCCO1 71765343 UBPYGCSCXRGALS-CYBMUJFWSA-N 349.818 2.637 0 50 EFAA CN(C)Cc1cc2n(n1)CCCN(c1ccc(-c3ccccc3)nn1)C2 72426798 OCVQAHLNZACREQ-UHFFFAOYSA-N 348.454 2.812 0 50 EFAA CC1=NN(C(=O)CSCc2ccc(C)cc2)[C@@](O)(C(F)F)C1 6788251 PWKOSKWPUFSQST-HNNXBMFYSA-N 328.384 2.790 0 50 EFAA O=C(c1ccccc1)N1CC[C@H](CN(C[C@@H]2CCOC2)C2CC2)C1 252495488 ORMILSYVOFJXGO-IRXDYDNUSA-N 328.456 2.650 0 50 EFAA Cc1nc(CCNC(=O)N2CC[C@H](OCC(C)C)C2)sc1C 151144003 BTEQNJOCLQZFFK-AWEZNQCLSA-N 325.478 2.759 0 50 EFAA CC[C@H](c1ccccc1)N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 257366043 HJPDZTSXMSOHSP-DBVUQKKJSA-N 329.488 2.622 0 50 EFAA O=C(O)C1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 238102580 DWQQZISYISLLSI-UHFFFAOYSA-N 345.317 2.841 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1 451008126 ZNRLCHXNUFAEHD-QGZVFWFLSA-N 330.453 2.865 0 50 EFAA CC(C)c1cc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)on1 215064032 ZKEPKUVCKLASGJ-MRXNPFEDSA-N 348.468 2.987 0 50 EFAA Cc1c[nH]c(CN2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)c(C)c1=O 72151147 OXRCYRZDXPXVBU-INIZCTEOSA-N 340.423 2.755 0 50 EFAA C=CC(=O)NCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 156629354 YLOIGMHIVIGZLQ-UHFFFAOYSA-N 334.379 2.656 0 50 EFAA Cc1nccc(C2CCN(CCn3c(=O)oc4ccccc43)CC2)n1 215883081 ISHJRIJJLBYYSF-UHFFFAOYSA-N 338.411 2.573 0 50 EFAA CN(C)Cc1csc(CN2CCC[C@H](CCC(=O)N(C)C)C2)c1 72158310 ZPYHNTORYJAIRU-OAHLLOKOSA-N 337.533 2.890 0 50 EFAA CCn1ccc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)cc1=O 77554954 CYUNOWICHPTKDH-INIZCTEOSA-N 339.439 2.528 0 50 EFAA O=C(NCCN1CCCCC1)c1cc(-n2cccn2)ccc1Cl 216519898 RHTWCNATWJLUMV-UHFFFAOYSA-N 332.835 2.741 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1C1CC1 240551567 GURSOCQEWRGPTH-AWEZNQCLSA-N 340.427 2.717 0 50 EFAA O=C(CCC(=O)NC1CCCC1)Nc1ccc2nc(S)oc2c1 157615855 NVJQEOWUKOORGC-UHFFFAOYSA-N 333.413 2.894 0 50 EFAA COc1ncccc1NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 242284676 YIUJSZYKSANOEF-ZDUSSCGKSA-N 329.404 2.547 0 50 EFAA CCc1oc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1C(=O)O 375027211 LEQJBRNQUKBWMU-JTQLQIEISA-N 337.278 2.682 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3cn4ccsc4n3)n[nH]2)o1 340642642 MCIQNXXHXMIPSL-UHFFFAOYSA-N 327.369 2.617 0 50 EFAA CCn1ncc(NC(=O)Cn2ccc(-c3ccc4ccccc4c3)n2)n1 48407761 UGXPLPRRSNZXRH-UHFFFAOYSA-N 346.394 2.953 0 50 EFAA CC(=O)N1CCC(CCC(=O)N(C)c2nc3ccccc3o2)CC1 175098360 LTINFYDTUGDJFA-UHFFFAOYSA-N 329.400 2.829 0 50 EFAA O=C(O)CN(C(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1 263390209 DLSBDNVYTLDIFW-CYBMUJFWSA-N 332.381 2.726 0 50 EFAA CCOC1CC2(CCN(C(=O)[C@@H](Cc3ccccc3)N(C)C)C2)C1 286756372 SBNPTVLHHFBCAM-QPIRBTGLSA-N 330.472 2.577 0 50 EFAA COCc1nc(CNC(=O)[C@H]2CCN(c3ccccc3F)C2)cs1 290486513 XCZABDVIOSDZTB-LBPRGKRZSA-N 349.431 2.571 0 50 EFAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1n[nH]c(=O)c2ccccc12 176525544 NHPGIUQXXAFUBO-ZFWWWQNUSA-N 333.391 2.941 0 50 EFAA Cc1nc2c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)cccc2[nH]1 222761458 FOHXRPBRSMSWJT-AHIWAGSCSA-N 336.395 2.508 0 50 EFAA Cc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)OC23CCCCC3)C1 82137351 TYWSOSQSPVMIHX-MRXNPFEDSA-N 343.423 2.851 0 50 EFAA CCCn1nc(C)c(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)c1C 220560147 FEVYUFNKXTVMRR-GOSISDBHSA-N 346.450 2.968 0 50 EFAA COc1cccc2ccc(CN3CCn4nc([C@H](C)O)cc4C3)nc12 221351399 UAELFKWUHZGIGH-ZDUSSCGKSA-N 338.411 2.509 0 50 EFAA Cn1c(C(=O)N2CCC3(CC2)COC(=O)O3)cc2c(Cl)cccc21 426551941 GCOWUUQKYGPLFJ-UHFFFAOYSA-N 348.786 2.973 0 50 EFAA Cc1ccoc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 192218356 LYHJVLFMPNTIRV-QGZVFWFLSA-N 328.412 2.609 0 50 EFAA CCN(CCN(C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 426370870 XYWGMLXEZYVGBK-GOSISDBHSA-N 326.444 2.764 0 50 EFAA CC1(CNC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)COC1 426653025 WCQHKJJVHYIWOC-MRXNPFEDSA-N 332.444 2.925 0 50 EFAA Cc1c[nH]c(CNC(=O)CCCC(=O)c2ccccc2)c(C)c1=O 426490271 VOIIYBQXGXMNHH-UHFFFAOYSA-N 326.396 2.661 0 50 EFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)CCc1cccnc1)C2 92038216 CMZSZYOBROAPBG-RTBURBONSA-N 327.472 2.903 0 50 EFAA CC1(C)SC[C@@H](C(=O)N(Cc2ccccc2)CC2CCC2)NC1=O 97600895 YQXSJYNVMAPEIR-INIZCTEOSA-N 346.496 2.826 0 50 EFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3ccnc(C)c3)[nH]c2C1 95390554 HRAZWDTUYSQKKM-CQSZACIVSA-N 348.406 2.858 0 50 EFAA COc1ccccc1-n1cc(CN2CCC[C@H]2c2n[nH]c(C)n2)cn1 97756447 APMDPXNSVVRSOB-INIZCTEOSA-N 338.415 2.645 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)NC[C@@H]3CCCOC3)cc2C)c1 179747013 XKRSQKLNHKRWKR-INIZCTEOSA-N 327.428 2.954 0 50 EFAA O=C1CCCc2c(OC[C@@H](O)Cn3cnc4ccccc43)cccc21 96028083 IBDNJAMBAMXCEW-AWEZNQCLSA-N 336.391 2.995 0 50 EFAA CC(C)c1noc(C2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)n1 244734855 NNAHWZNOVXMTJG-ZDUSSCGKSA-N 347.419 2.807 0 50 EFAA C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H](C)c1nc[nH]n1 181892563 NTVRRYHPGKGEHN-NXEZZACHSA-N 341.337 2.815 0 50 EFAA Cc1ccc([C@@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)N(C)C)cc1 254843689 JESYHPFJSDLYPW-XIRDDKMYSA-N 332.444 2.605 0 50 EFAA CCN(CC)CCNC(=O)c1ccc(-c2cnn(CC)c2C)cc1 534639270 RFIKODWWWIIOAK-UHFFFAOYSA-N 328.460 2.950 0 50 EFAA Cc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)nc(C)n1 299769730 PNGLTVDJKPYZGB-QGZVFWFLSA-N 338.455 2.621 0 50 EFAA Cc1noc(C)c1Cc1nc(-c2c[nH]c3ccccc23)nn1CCO 670442147 NALWPBJIMMMDME-UHFFFAOYSA-N 337.383 2.614 0 50 EFAA C[C@@H](C(=O)NN1CCc2ccccc2C1)n1ccc(C(F)(F)F)n1 869263874 ZJGVYASRBHGFLE-NSHDSACASA-N 338.333 2.552 0 50 EFAA CC(C)(C)C[C@@H](NC(=O)NCC1CS(=O)(=O)C1)c1ccccc1 952884438 FSMBLZVXAMEEDG-OAHLLOKOSA-N 338.473 2.508 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2cccc(Oc3ncccn3)c2)o1 1875257427 LKCXEOJEJKJFSO-UHFFFAOYSA-N 325.280 2.812 0 50 EFAA NC(=O)[C@H](NC(=O)Cc1csc(Cl)c1)c1ccc(Cl)cc1 1875340586 JHOHWRUNIRXWND-CYBMUJFWSA-N 343.235 2.940 0 50 EFAA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)/C=C/CN(C)C)cc2F)n1 1875374543 VWTJTLWQPXWIDP-LFAOLKIESA-N 344.434 2.923 0 50 EFAA COCCCN(Cc1ccc(OC)cc1)C(=O)[C@@]1(C)CC(C)=NO1 952865047 OBJSYEVOGHAKPL-GOSISDBHSA-N 334.416 2.615 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccccc1N1CCOCC1 952984711 YXHYFKXOMQZPHI-MRXNPFEDSA-N 332.444 2.554 0 50 EFAA COc1cccc(Cl)c1CC(=O)Nc1ccc([C@H]2CCCN2)nn1 886085516 SIWNGXQTFSNVCJ-CYBMUJFWSA-N 346.818 2.744 0 50 EFAA O=C(CC1(CO)CCC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 1775999579 UHFPOERHTVSQMS-UHFFFAOYSA-N 341.455 2.897 0 50 EFAA CN(CC(=O)N1CC2(CCCC2)[C@H]1c1ccco1)[C@@H]1CCC[C@H]1O 1434168302 GGFFMCZZLJJHHJ-IIDMSEBBSA-N 332.444 2.569 0 50 EFAA O=S(=O)(C[C@@H]1CC2(CCC2)CO1)NCc1cccc2cccnc12 1474896755 UTDUGLFZHRLMFZ-INIZCTEOSA-N 346.452 2.613 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)c1cnc(-c2ccccc2)nc1 304013782 CBPCBARKNCWPJY-GOSISDBHSA-N 333.391 2.915 0 50 EFAA C[C@H](C(=O)Nc1ncccn1)N1CCS[C@@H](c2ccccc2)C1 221774350 RJFKXCUXLJWDLD-UKRRQHHQSA-N 328.441 2.594 0 50 EFAA COc1ccc2oc(CN[C@H]3CCO[C@@H]3c3nccn3C)cc2c1 275704814 XVOHOXXEYUABEU-RDJZCZTQSA-N 327.384 2.795 0 50 EFAA CCc1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cn1 188097700 XVWLWSREUHBCKL-UHFFFAOYSA-N 345.424 2.572 0 50 EFAA COc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)c(OCC2CC2)c1 188384796 UUNZHFFCSIWSMK-INIZCTEOSA-N 344.455 2.794 0 50 EFAA COc1cccc(N2CCC[C@H](NCc3cn(C(C)(C)C)nn3)C2)c1 191107182 BBKNHKFTWQAZNH-HNNXBMFYSA-N 343.475 2.800 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cccc(C2CCC2)c1 644069583 GLGNNDBEQHKCOI-OTWHNJEPSA-N 328.456 2.672 0 50 EFAA CN(C)c1cccc(CCC(=O)N2CCc3ccccc3[C@H]2CO)c1 194525536 PFWQVRUREAZEPC-HXUWFJFHSA-N 338.451 2.804 0 50 EFAA O=C(O)CC1(NC(=O)c2cncc(-c3ccccc3)c2)CCOCC1 663122644 MOEWSQUHTZTUBQ-UHFFFAOYSA-N 340.379 2.502 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N(C)Cc1ccccc1-c1ccccc1 663103187 SARCSOOEZOKEHJ-LJQANCHMSA-N 327.380 2.802 0 50 EFAA COC(=O)c1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)OC)c1 568209 AIGVWEHBJKTPPL-AATRIKPKSA-N 329.308 2.505 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1CCC(=O)NC1CCCCCC1 1529153546 FPGDKFVKMIJVIC-QGZVFWFLSA-N 337.508 2.548 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C1 225946534 ZEWAXTWBFYNUOM-SSDOTTSWSA-N 332.581 2.649 0 50 EFAA COc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)nc1 337303914 QOGJQGMDFNGKRO-UHFFFAOYSA-N 334.184 2.593 0 50 EFAA O=C1C[C@H](c2nnc3n2-c2ccccc2OC3)CN1Cc1ccccc1 1775978601 VAFXJPOQAHONMU-HNNXBMFYSA-N 346.390 2.676 0 50 EFAA COC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1 5013794 DIPXMBYYEQLISQ-UHFFFAOYSA-N 326.381 2.741 0 50 EFAA CSCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 11709428 MLELSSITFJODKH-LBPRGKRZSA-N 340.876 2.671 0 50 EFAA CN(Cc1ccon1)C(=O)c1coc(COc2ccc(F)cc2)n1 15063291 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Cc1cccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)c1Cl 362126484 REHQACVMSBBFLH-AWEZNQCLSA-N 339.800 2.753 0 50 EFAA NC(=O)c1cc(NC(=O)CCc2ccc(C(=O)O)cc2)ccc1Cl 362491619 ZNBNQMKENLFYBO-UHFFFAOYSA-N 346.770 2.708 0 50 EFAA Cn1nc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c2ccccc21 901889347 ARBKVDQDQNQDFN-SJORKVTESA-N 335.407 2.874 0 50 EFAA O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)C1CCC(C(F)(F)F)CC1 907950407 VWSHLFMMEMBOSO-USFNOVEXSA-N 333.350 2.971 0 50 EFAA C[C@H]1CN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)Cc2c[nH]nc21 913586226 UQNYUASEGPEJRD-LKFCYVNXSA-N 339.317 2.608 0 50 EFAA CCc1ccc(Br)cc1C(=O)N[C@@H](CO)c1cccnc1 822972879 XRTOOMDQFSJSNA-HNNXBMFYSA-N 349.228 2.870 0 50 EFAA Cc1csc(S(=O)(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1 829855435 YBXJOESGTXVWAW-NSHDSACASA-N 337.422 2.824 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@H](n4cnnc4)C3)cc2)c1C 2325784711 DLGGIEFVWRZNDG-CZIWCDLHSA-N 336.399 2.670 0 50 EFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1ccnc(O)c1 2332239210 RMEAAWXUCFXARN-HIFRSBDPSA-N 329.404 2.643 0 50 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COc1ccc([C@@H](NC(=O)CN(C2CC2)C(C)(C)CO)C(C)C)cc1 225571073 FZPXECFAPZDEGA-IBGZPJMESA-N 348.487 2.744 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225679985 BXBKNPZEGYTDAJ-RDTXWAMCSA-N 337.354 2.717 0 50 EFAA Cc1cc(Br)ccc1CNC(=O)Cc1c(C)n[nH]c1C 171880629 GMPRJJMPXVYQHI-UHFFFAOYSA-N 336.233 2.956 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 114420727 YRRWUYZPSGUEGW-UHFFFAOYSA-N 336.304 2.792 0 50 EFAA CCc1cccc(OC2CN(C(=O)CSc3nnc(C)s3)C2)c1 55414575 ILVKEWZYOIAJDW-UHFFFAOYSA-N 349.481 2.791 0 50 EFAA CC(C)CN1CCN(Cc2cccc3cccnc23)C[C@@H]1CCO 22932616 DKTLINJHZYTANH-IBGZPJMESA-N 327.472 2.759 0 50 EFAA Cc1cnc(N2CCC[C@H](c3ccccc3)C2)nc1-c1ncnn1C 23231993 GIPKEDZLEZAWAA-INIZCTEOSA-N 334.427 2.965 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1CN1CCOCC1 55183339 MKINZIJVTZNKHY-TWJKGYNYSA-N 346.515 2.916 0 50 EFAA CCCCc1nc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c[nH]1 20539345 HJWZPLXCWRKCFH-SFHVURJKSA-N 334.508 2.564 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCCN2[C@@H](C(N)=O)c2ccc(F)cc2)n1 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343.471 2.632 0 50 EFAA CCc1nc(C[C@@H](C)n2cccn2)n(-c2ccc(C(=O)O)cc2)n1 952873751 NVCVEEQYDYZMRH-GFCCVEGCSA-N 325.372 2.528 0 50 EFAA CN1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)O)CC1 887557222 CHNLTASKJRTFDF-UHFFFAOYSA-N 338.407 2.876 0 50 EFAA COCc1nc(O)cc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1 892191409 FMQVJSJSSFOZEG-LBPRGKRZSA-N 334.445 2.786 0 50 EFAA CC1=CCN(C(=O)N[C@@H]2C[C@@]3(CCNC3)Oc3ccccc32)CC1 1336273790 UJJGDTUHPWJFTF-VQIMIIECSA-N 327.428 2.604 0 50 EFAA Cc1cccc([C@H]2CCCN2c2nnnn2C2CCOCC2)c1C 1771939938 FTDYHIFKJGJPIJ-QGZVFWFLSA-N 327.432 2.983 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 894045771 JRFMNYFPJJBVNF-RCCFBDPRSA-N 348.418 2.865 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(Cc3cccc(C4CC4)c3)C2)n1 1775959416 VDDUADQEJRYFFG-LJQANCHMSA-N 327.428 2.825 0 50 EFAA COCCOc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1 408524357 ZTXOCUKKAXQTAA-UHFFFAOYSA-N 340.379 2.712 0 50 EFAA C[C@H](OC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(N)=O 221954059 CIGDQQYRNJIWNS-ZSUJPPOCSA-N 344.249 2.527 0 50 EFAA 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C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1nc(N)nc2c1CCCC2 1506426926 KFVLVRDPTSXOFE-LLVKDONJSA-N 340.402 2.836 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1/C=C/c1ccccc1 444842 IGDSSVASLPFMGC-VFNNOXKTSA-N 342.420 2.851 0 50 EFAA CSc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 16650356 WJAJRIMFUUVZDU-CHWSQXEVSA-N 344.436 2.688 0 50 EFAA Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1CCC(C)C 18240626 JTQLXTDOKXYNQL-UHFFFAOYSA-N 340.471 2.994 0 50 EFAA Fc1ccc2[nH]c([C@@H]3CCCCN3CCCn3cncn3)nc2c1 19730656 FFBSSJOWURDTIE-INIZCTEOSA-N 328.395 2.911 0 50 EFAA Cc1cn2nc(C(=O)NC3CCC(C)CC3)cc2c(N2CCCC2)n1 169768697 YZNCLNQXGKUMQM-UHFFFAOYSA-N 341.459 2.946 0 50 EFAA Cc1ccc2ncnc(N3CCN(c4ccc(F)cn4)[C@H](C)C3)c2n1 1857695546 OBTAYDCHBZOJLJ-CYBMUJFWSA-N 338.390 2.582 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 221924807 AUZZHBFEMCACMV-WZRBSPASSA-N 332.366 2.625 0 50 EFAA COCCNC(=O)[C@@H](C)Sc1cc(Br)ccc1OC 225442423 PCOJXLKJFGWCTC-SECBINFHSA-N 348.262 2.701 0 50 EFAA COc1cccc(CN[C@H](c2nc(C)no2)C2CCOCC2)c1OC 328639709 XAAFNPGWMCVDLR-INIZCTEOSA-N 347.415 2.653 0 50 EFAA C[C@@H]1C[C@H](C(=O)N2CCN(c3ccc4ccccc4n3)CC2)[C@@H](C)O1 631462173 VZJACPQVIJTQED-INMHGKMJSA-N 339.439 2.697 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2OCc2cscn2)C1 237654712 MOCCWVOBHBBNPO-QGZVFWFLSA-N 346.408 2.659 0 50 EFAA Cc1nn(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c(C)c1Cl 455866022 AHXLVXUSINOEOU-ZDUSSCGKSA-N 349.818 2.655 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](C(=O)O)C1 136108686 HTWOGHWWYCZHMX-HUUCEWRRSA-N 331.412 2.828 0 50 EFAA c1ccc(CN2C[C@@H]3CC[C@H](N[C@@H]4CCCn5ncnc54)[C@H]3C2)cc1 252584997 FLESUZALCHSUTR-CADBVGFASA-N 337.471 2.613 0 50 EFAA CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc2nccn2c1 369551924 FKNYTXJAFSIUJP-HNNXBMFYSA-N 338.415 2.559 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 156242152 URWCFBMVASRWGG-GHMZBOCLSA-N 331.243 2.958 0 50 EFAA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCc2ccccc2C1 159227714 VLRCQCKUNXAYLH-AWEZNQCLSA-N 326.400 2.510 0 50 EFAA CCc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1CC 162924643 BPSIUJIJKKQSRU-INIZCTEOSA-N 348.472 2.525 0 50 EFAA O=C(Nc1cccc(Cn2cncn2)c1)c1ccnc(C(F)(F)F)c1 808289153 VFLCIACAVFEQMB-UHFFFAOYSA-N 347.300 2.993 0 50 EFAA CC1(C)CC[C@@H](O)[C@H](NC(=O)Cc2cccc(C(F)(F)F)n2)C1 828066927 ZFCMIHWZBVVATL-VXGBXAGGSA-N 330.350 2.699 0 50 EFAA O=S1(=O)CCC[C@@H]1CN1CCC(CCc2ccc(O)cc2)CC1 929272618 BBDHCQHWTSQEJM-GOSISDBHSA-N 337.485 2.614 0 50 EFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 4156509 VNBWRUUAHODFIL-CYBMUJFWSA-N 340.832 2.874 0 50 EFAA COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1 6746569 QNQOOTQKQWZLQO-UHFFFAOYSA-N 327.315 2.814 0 50 EFAA O=S1(=O)CC[C@H]2CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]21 2100537609 ROIQJTXSISMWFU-OXJNMPFZSA-N 339.460 2.877 0 50 EFAA C[C@]1(C(=O)NCc2cccc(COC3CCOCC3)c2)CC[C@H](N)C1 2325778317 RAYLYOBKUUHHES-PXNSSMCTSA-N 346.471 2.516 0 50 EFAA CNC1(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CC(F)(F)C1 2325801662 RDUWOBIOBNEXGA-UHFFFAOYSA-N 334.370 2.815 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 171219 WFAMBNJDENGUOQ-UHFFFAOYSA-N 334.397 2.734 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 253832 TUKIUTGWWSDEKX-CYBMUJFWSA-N 338.835 2.944 0 50 EFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OC)ccc2ccccc12 974832 XCSIIVAZITVXKP-MRXNPFEDSA-N 326.352 2.649 0 50 EFAA Cc1ccc([C@H]2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)CCO2)o1 133581756 WYSZMDGRJWCIMO-QGZVFWFLSA-N 338.363 2.643 0 50 EFAA CCN1Cc2nnc(Cc3ccc(OC)cc3)n2[C@@H](CC(C)C)C1=O 2356139469 YEOKWLIQIQEUKW-INIZCTEOSA-N 342.443 2.827 0 50 EFAA CCc1nc(Cn2c(C(C)C)nc3ccccc32)n(C[C@H](C)O)n1 2356144583 DXOULSMPJVKTPU-ZDUSSCGKSA-N 327.432 2.743 0 50 EFAA CN(C)c1ccc(-c2ccnc(N3CCC[C@@H](c4nc[nH]n4)C3)n2)cc1 2356146357 CCOSISOUQNGLJQ-OAHLLOKOSA-N 349.442 2.712 0 50 EFAA COc1cccc2c1C1(CCN(CCCn3ccnc3)CC1)OCC2 2356150193 QIXRORKOSKHZBT-UHFFFAOYSA-N 341.455 2.846 0 50 EFAA CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1 4958064 JQILUMBUNLQQNH-ZWKOTPCHSA-N 330.453 2.971 0 50 EFAA COc1ccc(OCCC(=O)N2CCN(c3ccccc3)CC2)cc1 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EFAA O=C(CN1CCC[C@H]1c1ccccc1)NC[C@H]1Cc2ccccc2O1 247802833 WVVQZRBKWYSVEZ-MOPGFXCFSA-N 336.435 2.943 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@H](Sc2nccc(C)n2)C1=O 100116314 LXDALZXLDAYNOU-AWEZNQCLSA-N 343.408 2.608 0 50 EFAA CN1CCC=C(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 65381038 RZPCGPUWIHMIGA-UHFFFAOYSA-N 349.478 2.860 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)[C@H](C)c3nc(C)no3)cc2c1 67821966 FXSNDOLRNKESLI-LLVKDONJSA-N 342.399 2.811 0 50 EFAA O[C@@H]1CN(C2Cc3ccccc3C2)CC[C@H]1c1ccc2c(c1)OCO2 67446933 WGBAPSGDCYQUCJ-RBUKOAKNSA-N 337.419 2.733 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)ccc2F)C1 347950796 NUUCJJAUOJGWHE-FZMZJTMJSA-N 346.324 2.806 0 50 EFAA O=C(CN1CCN(Cc2ccccc2Cl)CC1)NC1CCCCC1 20495061 OTSSXWNUPBOHDW-UHFFFAOYSA-N 349.906 2.907 0 50 EFAA COc1cc(OC)c(OC)cc1CN1CCC[C@H](N2CCCC2)C1 20166713 PSJAVFARLIWSHA-INIZCTEOSA-N 334.460 2.773 0 50 EFAA COc1ccc([C@H]2CCCCCN2C[C@@H](O)Cn2cccn2)cc1 229507221 ALALLQDKFKAJMA-IEBWSBKVSA-N 329.444 2.870 0 50 EFAA Cc1nc(C2CCNCC2)cc(N(C)C[C@@H]2N=NC3=C2CCC3)n1 67769781 PJPRJCAQCKJZQC-KRWDZBQOSA-N 326.448 2.961 0 50 EFAA c1ccc(-c2ncn(CCSc3c[nH]nn3)c2-c2ncc[nH]2)cc1 67784135 OOHRENGQFKDTML-UHFFFAOYSA-N 337.412 2.851 0 50 EFAA COC(=O)c1cccc(OCc2noc([C@H]3CCO[C@@H]3C(C)C)n2)c1 252498688 RIPMBYPZPQFZBB-GOEBONIOSA-N 346.383 2.964 0 50 EFAA O=C(O[C@H]1CCS(=O)(=O)c2sccc21)c1ccc(F)cc1 1393967 MCFWAHRBARLPRY-LBPRGKRZSA-N 326.370 2.963 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)cc1 2795613 SXULQBUBCXRFIJ-JTQLQIEISA-N 338.205 2.929 0 50 EFAA Cc1ccc(C)c(NS(=O)(=O)c2cnoc2-c2cnn(C)c2C)c1 2808441 TXZNJIREPFCJIJ-UHFFFAOYSA-N 346.412 2.801 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ncoc3C)CC2)OC1=O 77469965 GGXFPQWUXYPFGO-LBPRGKRZSA-N 335.404 2.599 0 50 EFAA CC(C)[C@@H]1CN(C(=O)CCN(C)C)CCCN1Cc1ccc(F)cc1 72163118 DTKRJDUIIAXGSV-IBGZPJMESA-N 349.494 2.836 0 50 EFAA CN(C)c1nc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)ns1 328637766 OUDGCROWFZKSIH-AWEZNQCLSA-N 346.504 2.554 0 50 EFAA CC(=O)NCCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C 39470241 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337.375 2.608 0 50 EFAA COc1cccc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1 219917520 FNDKEVCAVRBQKA-RNQOJCNYSA-N 329.440 2.948 0 50 EFAA Cc1scc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)c1C 262884933 BYOBBXSUFILOAG-HNNXBMFYSA-N 331.393 2.856 0 50 EFAA CCn1cnc2c(N3CC(Cc4ccc(F)c(F)c4)C3)ncnc21 370439415 AWMSRJKVEJGMGP-UHFFFAOYSA-N 329.354 2.803 0 50 EFAA COc1ccccc1CC1(O)CCN(C(=O)[C@@H]2CC=CCC2)CC1 370664927 LPEHAFPDEDLXRD-MRXNPFEDSA-N 329.440 2.948 0 50 EFAA COCCOC1CCN(Cc2nn(C)c3cccc(Cl)c23)CC1 215205845 YBSCQIDDLGUPDW-UHFFFAOYSA-N 337.851 2.854 0 50 EFAA Cn1ccc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc1=O 373342119 VPRCEBOLAKHEPA-UHFFFAOYSA-N 343.383 2.578 0 50 EFAA CC(=O)Nc1ccsc1C(=O)NCc1nn(C)c2ccc(C)cc12 71759677 XLKQFWFBXISYNY-UHFFFAOYSA-N 342.424 2.832 0 50 EFAA CN(C)CCOc1ccccc1CN1CCC(Cn2ccnc2)CC1 215644610 LVJJYOLNPYOSBC-UHFFFAOYSA-N 342.487 2.736 0 50 EFAA Cc1noc([C@@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCN2C)n1 284701496 QUULLHCFUAKVRE-INIZCTEOSA-N 345.447 2.506 0 50 EFAA Cc1ccc(OC[C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 242302333 YRLZSKVFWKZETE-SOLBZPMBSA-N 333.476 2.744 0 50 EFAA Cn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3OCC3CCC3)cccc21 222939859 NWJDSNXQOVGDNZ-IEBWSBKVSA-N 342.439 2.882 0 50 EFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1ccc(Cl)cc1Cl)C2 426615340 ADTGPZJYCOUCIU-GNXNZQSNSA-N 328.243 2.872 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)n1 178737967 FOYKPUVBLCCYBM-KSSFIOAISA-N 342.443 2.590 0 50 EFAA CC[C@@H]1[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)[C@@H]2CCO[C@@H]21 223669273 XICUSYBQTBFONZ-VSZNYVQBSA-N 331.456 2.933 0 50 EFAA C[C@@H](Oc1ccccc1-c1cccc(C(=O)N2CCCC2)c1)C(N)=O 96132477 AWDIRXRQRVAJMD-CQSZACIVSA-N 338.407 2.842 0 50 EFAA Cc1ccc(-c2ccccc2CN2C[C@H](CO)[C@H](CN(C)C)C2)o1 92099800 SSWZBDGIGOZRIR-QZTJIDSGSA-N 328.456 2.857 0 50 EFAA Cn1cc(SCC(=O)NCCCc2ncc[nH]2)c2ccccc21 426536498 PJAJZJUXKXQQMV-UHFFFAOYSA-N 328.441 2.743 0 50 EFAA CCc1nc(C(C)C)ccc1C(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 294019670 ZFGUUOLIPNPVBF-RBUKOAKNSA-N 345.487 2.703 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCCN(Cc3ccccn3)CC2)on1 91769065 CDLMMNFDOQDJRK-UHFFFAOYSA-N 342.443 2.616 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)CC1 95507014 SOGVSUQLNLTFKG-MRXNPFEDSA-N 336.407 2.578 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)NCCCOC1CCCC1)CC(=O)N2 97522174 NQQLQKRLFSEOAY-MRXNPFEDSA-N 346.427 2.587 0 50 EFAA CC(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)on1 91829886 WYRSHZZUYVNQCP-UHFFFAOYSA-N 328.416 2.541 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)NCc1ccc(F)cc1)C2 91713005 LWFQZUDVGMNPRO-AWEZNQCLSA-N 344.386 2.885 0 50 EFAA CCNc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cn1 92081150 HRDOVSCZJCQQSJ-OAHLLOKOSA-N 340.427 2.840 0 50 EFAA C[C@@H]1CN(CCCCNc2ncc(Br)cn2)C[C@@H](C)O1 267906463 DJVRVLCGTYLNDU-VXGBXAGGSA-N 343.269 2.540 0 50 EFAA CC(=O)NC1(C(=O)NCc2ccnc(C(F)(F)F)c2)CCCCC1 296774947 DGSHOAUTBXDOKX-UHFFFAOYSA-N 343.349 2.556 0 50 EFAA CC1(C)C[C@@H](NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)C(C)(C)O1 183164987 MKZXJDBKNWGVRG-UONOGXRCSA-N 340.464 2.517 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1nc2c(s1)CCCC2 534585461 VAGGDCNNVIBAKJ-SECBINFHSA-N 341.458 2.666 0 50 EFAA CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1cccc(CN)c1 299757946 IQWSQNNJBLBYPF-UHFFFAOYSA-N 329.404 2.850 0 50 EFAA CCc1noc(CN(CC)C(=O)N[C@@H](C)c2ccc(O)c(F)c2)n1 584900394 VPYUUNLUNHTJPM-JTQLQIEISA-N 336.367 2.769 0 50 EFAA Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cncc(C(=O)O)c1C 1875278069 WLDQNPRAQZVKCZ-CYBMUJFWSA-N 342.395 2.902 0 50 EFAA CCc1cc2c(N3CC4(CC(NC(=O)C(C)C)C4)C3)ncnc2s1 1875344846 NPROJLHSQYCDDX-UHFFFAOYSA-N 344.484 2.995 0 50 EFAA COc1cc(C(=O)O)ccc1CNC(=O)CCNc1ccccc1C 1875300684 NOJHPLBQJJYYST-UHFFFAOYSA-N 342.395 2.820 0 50 EFAA O=C(O)c1coc2cc(C(=O)N3CCCC[C@H]3[C@H]3CCCO3)[nH]c12 1875405812 OUORWCIGVQVFDA-QWHCGFSZSA-N 332.356 2.633 0 50 EFAA Cc1nc(-c2cccc(NC(=O)c3ccccc3-n3cncn3)c2)n[nH]1 952862301 OOKMCXCBYRCYPH-UHFFFAOYSA-N 345.366 2.613 0 50 EFAA CS(=O)(=O)c1nc2ccccc2n1Cc1ccn(C2CCCC2)n1 268640393 SINUVVNDAGVUQS-UHFFFAOYSA-N 344.440 2.800 0 50 EFAA CCc1onc(C)c1CS(=O)(=O)C[C@@H]1OCCc2ccccc21 899506250 UZDUTMNXOAHHDR-KRWDZBQOSA-N 335.425 2.774 0 50 EFAA Cn1cc([C@H](Nc2ncnc(N)c2Cl)c2ccc(F)cc2)cn1 302844069 NGXVONAJPSTYCT-CYBMUJFWSA-N 332.770 2.786 0 50 EFAA Cc1cnccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 186341116 FIBQGKIQKYGFMU-LJQANCHMSA-N 338.455 2.854 0 50 EFAA CN(CC(=O)O)C1CCN(Cc2csc(C3CCCC3)n2)CC1 186679759 FGJPOYCZFSSHJA-UHFFFAOYSA-N 337.489 2.782 0 50 EFAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)CCc2ccccc2)C1 275412202 BRKUMQKAJALFOB-KRWDZBQOSA-N 339.439 2.760 0 50 EFAA Cc1cccc(C2(C(=O)N[C@H]3CCS(=O)(=O)[C@H]3C)CCCCC2)c1 647117165 UHOLVGNRMOVIJX-RDJZCZTQSA-N 349.496 2.889 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccc(C)cc1 193182118 ORYTWAOWLGAWFB-DLBZAZTESA-N 329.444 2.899 0 50 EFAA CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)O)co1)c1ccccc1F 656720351 RXVNYPPRMJUCPJ-AWEZNQCLSA-N 341.360 2.793 0 50 EFAA O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1506419088 XFVQCNIMKOERMS-QGZVFWFLSA-N 338.407 2.684 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)CC(=O)Nc2ccc(Cl)cn2)c1 1506410663 WGNCOYUJCHQIFE-ZDUSSCGKSA-N 332.835 2.940 0 50 EFAA CCC[C@H]1COC[C@H]2CN(Cc3cccc(-n4cccn4)c3)CCN12 1529155088 NRELNLOBEYQXRA-VQTJNVASSA-N 340.471 2.557 0 50 EFAA O=C(c1csc2c1CCCC2)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529106917 UCIWYEVDJXUTIV-RHSMWYFYSA-N 346.496 2.562 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(CCn3cc(Cl)cn3)C1)CC2 1704298475 HSQLLBHBCJCVND-KRWDZBQOSA-N 331.851 2.615 0 50 EFAA Cc1cc(C)c(CN(CCO)Cc2cnc(C)[nH]2)c(-n2cccn2)c1 1704354636 HSFUOSJHWJKABG-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA Cc1ccc(NC(=O)N2CCC(CO)(CN(C)C)CC2)cc1Cl 1772700820 FZQWEPRCPLJJKN-UHFFFAOYSA-N 339.867 2.816 0 50 EFAA CCc1ccc(OCCCN(C)Cc2cnc(C(=O)O)cn2)cc1 1772710238 PPTKJYRPUVQAAL-UHFFFAOYSA-N 329.400 2.638 0 50 EFAA COc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 225379007 NKVYYBFBZFFPQB-HOCLYGCPSA-N 332.419 2.781 0 50 EFAA O=C(Nc1nncs1)N1CCC[C@H](Oc2ccccc2Cl)C1 328636756 AKSPTHNZJQTEGH-JTQLQIEISA-N 338.820 3.267 0 50 EFAA C[C@H](C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1c(F)cccc1F 123331227 QNZQWXYLGGAQDG-NSHDSACASA-N 347.427 2.740 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 330171544 FNXYEFSEUYLYQU-UKRRQHHQSA-N 330.428 2.765 0 50 EFAA C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 266926781 XOIOXBCDDUQJMS-CRAIPNDOSA-N 326.444 2.652 0 50 EFAA Cc1cc(C)nc(CS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 901556329 DGLIJWRDEJNITD-UHFFFAOYSA-N 344.436 2.799 0 50 EFAA CN1CCC2(CCC(NC(=O)c3cnc4n3CCCCC4)CC2)CC1 908490722 PVJXBCUAOUPXBY-UHFFFAOYSA-N 344.503 2.994 0 50 EFAA O=C(CCOc1ccccc1)N1CCCN(C2CCSCC2)CC1 1850496121 BQEHUOWEHVKISS-UHFFFAOYSA-N 348.512 2.885 0 50 EFAA CC(C)C[C@@H]1COCCN1C(=O)c1ccncc1Br 154884173 VFWDWOORCOWHAV-LLVKDONJSA-N 327.222 2.731 0 50 EFAA O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1 2504001 WPSWMLZBXDOMJU-OAHLLOKOSA-N 335.285 2.591 0 50 EFAA COc1ccc2nc(O)c(CSc3cnn4c3CNCC4)cc2c1 2325809768 JTOBCIOMYHUPSV-UHFFFAOYSA-N 342.424 2.541 0 50 EFAA O=C(O)CNc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 394551 BQISFFIKDQJKKW-UHFFFAOYSA-N 325.773 2.669 0 50 EFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1 417623 NVRWNDZNSPQEQM-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 2356135454 FLTZOFIUZQKPDE-BJHJDKERSA-N 332.375 2.918 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 3898160 GIUQTBNFNHAURL-CQSZACIVSA-N 338.404 2.750 0 50 EFAA COc1cc(CNCc2cccs2)cc(Cl)c1OCC(N)=O 4488516 AQBAXMLDAXFBHN-UHFFFAOYSA-N 340.832 2.564 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 4502954 UNQDCXIOWJAGSM-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA Cc1ccccc1NC(=O)CSc1nc(-c2ccncc2)n[nH]1 4993675 GNZYBGZAWFHABU-UHFFFAOYSA-N 325.397 2.906 0 50 EFAA COc1ncccc1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 225405828 CPPHDVNCKPKCIG-AWEZNQCLSA-N 342.370 2.964 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(F)nc2)C[C@H](C)N1C(=O)OC(C)(C)C 114277476 RHCQYPLQJVSIMR-RYUDHWBXSA-N 337.395 2.691 0 50 EFAA CCOc1cccc(CN(CCO)Cc2ccc(C(=O)O)cc2)c1 55284258 HTFSOEWVPGSUCW-UHFFFAOYSA-N 329.396 2.778 0 50 EFAA CN1CC[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H]1c1ccccc1 248078778 RLOZMJVDUUWKQK-OXQOHEQNSA-N 338.407 2.519 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NS(=O)(=O)c1ccccc1F 118141225 DBTBYZKQNUWXFW-GFCCVEGCSA-N 349.383 2.587 0 50 EFAA COc1ccc([C@@H](NCc2ccnc(N(C)C)n2)C2CC2)c(F)c1 421837145 PWGBQGUFTDNZQS-KRWDZBQOSA-N 330.407 2.931 0 50 EFAA Cc1ccsc1C(=O)NCC[C@H]1CN(Cc2ccco2)CCO1 67921812 FBXMMZUPGRFPDZ-HNNXBMFYSA-N 334.441 2.670 0 50 EFAA CCn1c([C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)n[nH]c1=O 67974991 DGQNCKQMWPBENC-SJDLMVEWSA-N 330.407 2.623 0 50 EFAA CSc1cccc(CN2CCC(n3cc(C[C@H](C)O)nn3)CC2)c1 23367484 HVOIWCINHOSARL-AWEZNQCLSA-N 346.500 2.760 0 50 EFAA C[C@@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(OCC2CC2)c(F)c1 120043992 HEOYBHJPXGSNNL-NOZJJQNGSA-N 338.404 2.617 0 50 EFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCC[C@@H](O)C1 219470801 ZELVDVGIKTWNCH-RBUKOAKNSA-N 330.472 2.533 0 50 EFAA C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)s1 252498106 QONQKOGEXHODMX-SRVKXCTJSA-N 343.880 2.625 0 50 EFAA CC[C@H](C)N(Cc1cccnc1)C(=O)C(=O)N1CCc2ccccc21 65399254 KGIXQMSKKMLPRS-HNNXBMFYSA-N 337.423 2.798 0 50 EFAA Cc1oc2c(c1C(=O)N[C@@H]1CCOC3(CCOCC3)C1)C(=O)CCC2 77523021 WVDWLBMVJSWJBN-CYBMUJFWSA-N 347.411 2.565 0 50 EFAA O=C(c1ccc(Cl)cn1)N1CCO[C@@H](Cc2cccc(F)c2)C1 71747246 ICTBJRPFVUTRPE-HNNXBMFYSA-N 334.778 2.958 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 328656190 ZCDJVUGWJKFZSA-QRVBRYPASA-N 327.472 2.941 0 50 EFAA COc1ccc([C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C2CC2)cc1 253423948 SIGXRBFQKOTBAG-IRXDYDNUSA-N 339.457 2.635 0 50 EFAA CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 33087041 OUKPXNXCHTWJHG-GFCCVEGCSA-N 339.417 2.676 0 50 EFAA O=C(O)CN(C(=O)c1cccc(OC2CCCC2)c1)C1CCOCC1 362669017 SXMSMWCDVKRTBE-UHFFFAOYSA-N 347.411 2.714 0 50 EFAA O=C(Cc1cncs1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 329958793 MUDXXHIZJPSEHK-JTQLQIEISA-N 344.362 2.765 0 50 EFAA O=C1C[C@@H](C(=O)N2CCCc3cccc(O)c32)c2ccc(F)cc2N1 155640812 AILRQIFZMHSNAU-CQSZACIVSA-N 340.354 2.937 0 50 EFAA Cc1nc([C@H]2CCCCN2CCC(=O)Nc2ccc(F)cc2)n[nH]1 366715861 FRSXZBBHTFDGFB-OAHLLOKOSA-N 331.395 2.808 0 50 EFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC2CCC(C(F)(F)F)CC2)C1 331788198 GJSIZSJFENYFJW-TUUUFIMRSA-N 332.370 2.935 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2cc(F)ccc2F)c1 282603741 URUBTLQQPIQVNL-MAUKXSAKSA-N 347.361 2.850 0 50 EFAA Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1ncc(C2CC2)o1 368779826 PEFKULJRWYYJJJ-KRWDZBQOSA-N 329.375 2.673 0 50 EFAA O=C(c1ccc(Cl)c(F)c1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262410832 DCVFEGAVRFOVRD-GFCCVEGCSA-N 339.672 2.958 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)c1nc(-c2ccccc2)no1 77505062 MTYMKYBVPIDMAI-UHFFFAOYSA-N 334.339 2.818 0 50 EFAA CN1CC[C@@H](NC(=O)c2ccncc2F)[C@H]1c1ccc(F)c(F)c1 240871419 IKJWGYQWGGPWIB-HZPDHXFCSA-N 335.329 2.674 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 241515544 OGEZULVERHEXQN-WOPDTQHZSA-N 341.238 2.821 0 50 EFAA Cc1cc(F)ccc1CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 285464715 KNEMMJNABFWDNM-GOSISDBHSA-N 332.423 2.790 0 50 EFAA O=C(c1cnc2ccccc2n1)N1CCCC[C@@H]1CCn1cccn1 221420594 NPWLFLPSSYXKJB-OAHLLOKOSA-N 335.411 2.911 0 50 EFAA COc1ccc(-c2cnc(NC(=O)c3cc(C)cc(O)n3)n2C)cc1 342420604 BVBOFZTVWRYJJM-UHFFFAOYSA-N 338.367 2.757 0 50 EFAA Cc1c(CN2CCc3n[nH]c(-c4cccc(F)c4)c3C2)cnn1C 42453692 ORUVCCHJODKZHW-UHFFFAOYSA-N 325.391 2.816 0 50 EFAA CSc1nc(C(=O)N2CCCN(C3CCCC3)CC2)cs1 220001084 GYVGHOYHIPYNDV-UHFFFAOYSA-N 325.503 2.956 0 50 EFAA CCCc1cc(C(=O)NC[C@](C)(O)c2ccc(Cl)cc2)n(C)n1 82138889 WVPZDMZRPCQNIM-KRWDZBQOSA-N 335.835 2.664 0 50 EFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1Cc2ccccc2[C@@H](O)C1 82108164 ATHXYDVDUNIIEU-SFHVURJKSA-N 346.390 2.536 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)Cc1cccnc1)CC2 426380146 RONMYNRIBAADNY-WSTZPKSXSA-N 344.455 2.589 0 50 EFAA CC1(C)CCC(C)(C)c2cc(C(=O)NC[C@]3(O)CCOC3)ccc21 178938081 KCECMDBVGNQPCM-HXUWFJFHSA-N 331.456 2.917 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)NCC3(C)COC3)C2)c1 426544372 JMLNPMBJOXYDCW-OAHLLOKOSA-N 348.443 2.532 0 50 EFAA CSc1cccc(NC(=O)NCCS(=O)(=O)CC(C)C)c1 95517655 SNSAXWPBUYGALZ-UHFFFAOYSA-N 330.475 2.601 0 50 EFAA Cc1cccc(CN(C)c2cc(N3CCC[C@H](CO)C3)ncn2)c1C 292014925 ZSZMWGGTZORQAV-KRWDZBQOSA-N 340.471 2.939 0 50 EFAA CN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCNC1 179106087 ZSCRXEKAYPFBMO-NSHDSACASA-N 327.409 2.990 0 50 EFAA O=C(CCn1cc(Cl)cn1)N1CCCC[C@@H]1CCN1CCCC1 91486927 IEYTXDYKUIITKA-MRXNPFEDSA-N 338.883 2.794 0 50 EFAA Cc1nc(CC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cs1 96167041 OJYFPNCKJOGXPK-CYBMUJFWSA-N 335.498 2.836 0 50 EFAA O=S1(=O)CCN(c2nc(C3CCCC3)ns2)CCC12CCC2 333480439 BZUMOAXQIPCVJE-UHFFFAOYSA-N 341.502 2.743 0 50 EFAA CC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1F 91943947 VGEPLSIILRCVJK-INIZCTEOSA-N 338.398 2.805 0 50 EFAA Cc1ccc2nc(C(=O)N(C/C=C/c3ccccc3)CCO)cn2c1 91451977 LZNQCPIVDACZPQ-VMPITWQZSA-N 335.407 2.791 0 50 EFAA COc1cc(OC)c2nc(N3C[C@H](C4CC4)[C@@H](N)C3)cc(C)c2c1 95380760 HKMQESMYLWKGEZ-CVEARBPZSA-N 327.428 2.734 0 50 EFAA c1ccc(C2=NO[C@@H](CN3CCC(N4CCSCC4)CC3)C2)cc1 244816766 SNZRYODWOIYLSU-GOSISDBHSA-N 345.512 2.693 0 50 EFAA Cc1nc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2cccs2)no1 248028297 LDKZJZCYOZPKMR-KBPBESRZSA-N 346.456 2.940 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 181552970 LUSHKUDXVUBPBO-FQEVSTJZSA-N 338.451 2.832 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2ccsc2C)C1 296894812 DKNGPPOYHHSVIO-YPMHNXCESA-N 332.429 2.654 0 50 EFAA O=C(O)C1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 299750322 NBTRLLDPVLPORX-UHFFFAOYSA-N 326.352 2.811 0 50 EFAA Cc1cccc([C@H](NC(=O)c2c(C)[nH]c(C(=O)O)c2C)C2CC2)n1 299791099 DFJBTHFXQGCYKW-MRXNPFEDSA-N 327.384 2.914 0 50 EFAA CCc1nn(C)c(NC(=O)N[C@@H](C)COc2ccccc2OC)c1C 299778625 SEDXKFGEFWQEFJ-LBPRGKRZSA-N 346.431 2.889 0 50 EFAA CNc1ccc(Cl)cc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 584889881 HTBKBTQUJVZBDW-ZDUSSCGKSA-N 345.834 2.571 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)[C@H](O)c2cccc(Cl)c2)c1 670469963 NBDRBQWJXACFGJ-QGZVFWFLSA-N 346.814 2.827 0 50 EFAA CC[C@@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1CN1CCCC1 670445330 YKZKAUZDGAACJQ-QGZVFWFLSA-N 340.471 2.725 0 50 EFAA CC(C)Oc1cccc(C(=O)NC[C@@H]2CC(=O)N[C@H](C)C2)c1Cl 952876141 CACMLXWKGZZEAD-NEPJUHHUSA-N 338.835 2.772 0 50 EFAA CC(C)(C(=O)N[C@@H]1Cc2cnccc2NC1=O)c1ccccc1Cl 952993081 AYRRBYFLOHAXGB-OAHLLOKOSA-N 343.814 2.692 0 50 EFAA C[C@@H](Nc1ccc(S(C)(=O)=O)cn1)c1cc(F)ccc1N(C)C 1875275966 WHAHTOUMFFDYDX-LLVKDONJSA-N 337.420 2.863 0 50 EFAA N[C@H](C(=O)Nc1cncc(-c2cc[nH]n2)c1)[C@H]1C[C@H]1c1ccccc1 1875325742 BIUVYBDGGUWSMO-BQFCYCMXSA-N 333.395 2.541 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1875304779 UYGDMDKOYCLGOB-RIWOBZSASA-N 325.408 2.866 0 50 EFAA CCCN1C[C@@H](NCc2cc3ccc(Cl)cc3nc2O)CC1=O 952963492 KNBMGNKGGGJRFE-AWEZNQCLSA-N 333.819 2.694 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cccc4ccoc34)C2)n1 886091714 MUEGYPLDZJGWIL-SFHVURJKSA-N 327.384 2.694 0 50 EFAA CC(C)(C)NC(=O)Cn1ccc(=O)c2cccc(OC(F)(F)F)c21 888091637 KJCLKWLHDVUSMC-UHFFFAOYSA-N 342.317 2.815 0 50 EFAA C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)[C@@H]1COc2ccccc21 888101291 GPGXWUKMWXXNCK-WBMJQRKESA-N 340.427 2.661 0 50 EFAA CC(C)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1413075494 NOFUNGMPAOTMLA-MRXNPFEDSA-N 341.293 2.683 0 50 EFAA CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C)n(-c2cccc(F)c2)n1 1775988089 CXKJYHCLQFPCHR-MRXNPFEDSA-N 344.434 2.876 0 50 EFAA O=C(CCCn1cccn1)Nc1ccc(F)nc1Br 1776006792 VTCBQLMJLLKZGA-UHFFFAOYSA-N 327.157 2.599 0 50 EFAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565512315 UONFYFXBXIMNHF-APWZRJJASA-N 340.467 2.787 0 50 EFAA Cc1nc(N2CCOCC2)ccc1Nc1ccc(C(F)(F)F)nn1 271124623 STZOJOCKGVNHQA-UHFFFAOYSA-N 339.321 2.779 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 408519893 MWBVQVLVWQQURT-AXUOBQJMSA-N 345.439 2.809 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)NCc2ccc(C3CC3)cc2)ccn1 170611979 DEDPHGCIBKPORG-UHFFFAOYSA-N 338.411 2.983 0 50 EFAA O=C([C@@H]1CCCc2c(O)cccc21)N1CCO[C@@H](c2nccs2)C1 190361149 XBFYWJFTSHXVNT-GDBMZVCRSA-N 344.436 2.869 0 50 EFAA COc1ccc(-c2ccnc(N3CCC[C@H]([C@@H]4CCNC4)C3)n2)cc1 643048328 QNCDGDZYJVCWPG-SJORKVTESA-N 338.455 2.978 0 50 EFAA CC[C@@H](C(=O)O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 191437002 JLUHOZFURJYDSD-CVEARBPZSA-N 326.387 2.897 0 50 EFAA O=C(O)c1cccnc1N1CCCN(c2ccc(F)c(F)c2)CC1 647454249 IOOOIOUBCCOCQV-UHFFFAOYSA-N 333.338 2.775 0 50 EFAA CCC[C@H](NC(=O)C(F)F)C(=O)Nc1cccc(N2CCCC2)c1 194519753 PAWTWKSLMOTNCL-AWEZNQCLSA-N 339.386 2.775 0 50 EFAA CC(C)Cn1nccc1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653326766 KLKLNRUQIZFZGR-LSDHHAIUSA-N 327.384 2.582 0 50 EFAA Cc1cnc(OC2CCN(c3ncnc4c3CCCCC4)CC2)nc1 656214280 OCDZSNQDVKTSOE-UHFFFAOYSA-N 339.443 2.892 0 50 EFAA O=C(O)C1CCC(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 659228656 MIYWYSRBYYZCRP-VMBOVVBDSA-N 331.412 2.947 0 50 EFAA COc1cccc([C@H](CNC(=O)C2C[C@H]3C[C@@H]3C2)N2CCCC2)c1 665385989 MZDPFSNSRGUXNM-MDZRGWNJSA-N 328.456 2.994 0 50 EFAA Cc1nnc(CC(=O)NCC2(c3ccccc3C)CCOCC2)s1 667106072 KLIZEXMZVOXRMI-UHFFFAOYSA-N 345.468 2.562 0 50 EFAA CN(C)CCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 11817765 OSLCBVCOJRSJAI-QGZVFWFLSA-N 340.423 2.615 0 50 EFAA CC(=O)Oc1cc(OC(C)=O)c2cc(-c3cccnc3)c(=O)oc2c1 13232433 WPVQLOGAARNABC-UHFFFAOYSA-N 339.303 2.706 0 50 EFAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NC1CCC1 13594778 MHLFKFDLDCGWNV-UHFFFAOYSA-N 338.411 2.937 0 50 EFAA O=C(NCc1cccnc1)c1cn(Cc2cccc3ccccc23)nn1 14981138 BLPWQILPGYETHU-UHFFFAOYSA-N 343.390 2.805 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 16579662 WFAAGYLHFUCKLK-UHFFFAOYSA-N 344.480 2.643 0 50 EFAA CC1(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 1857532489 ZNGBBSWYGZLZCG-UHFFFAOYSA-N 348.399 2.909 0 50 EFAA COCCn1cncc1CN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857719824 WIPLIGMJNFOCKB-VQTJNVASSA-N 341.455 2.882 0 50 EFAA COc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCOCC2)cc1F 451437726 OXZPWEIVJNRZFX-NSHDSACASA-N 329.318 2.611 0 50 EFAA O[C@@H]1CN(c2ccc(-c3ccccc3)nn2)C[C@H]1Cc1ccccn1 1875242755 ZYXUOCGNCTYXED-VQIMIIECSA-N 332.407 2.578 0 50 EFAA CN(C)c1nc(-c2cccc(CC(=O)O)c2)cc(C(F)(F)F)n1 1875247718 PFDLGSUZBMCARC-UHFFFAOYSA-N 325.290 2.856 0 50 EFAA CC[C@@](CNC(=O)c1nc(C)oc1C)(C(=O)OC)c1ccccc1 408521405 SNSOYKDSGAQLLE-SFHVURJKSA-N 330.384 2.542 0 50 EFAA COc1cc(NC(=O)c2c(OC)cccc2OC)cc(OC)c1OC 4841517 QXAWEDXHWPNFQW-UHFFFAOYSA-N 347.367 2.982 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cnn(C(C)C)c2C)c1 331580676 LAIAEYRWXIAWAO-MAUKXSAKSA-N 343.427 2.729 0 50 EFAA CCc1cc2c(N3CCC(S(C)(=O)=O)CC3)nc(C)nc2s1 641438740 KGXNTOOCLMOZMP-UHFFFAOYSA-N 339.486 2.576 0 50 EFAA CCC(=O)N1CC[C@@H](c2nc(-c3ccnc(OC(C)C)c3)no2)C1 331636909 WRWKUPVOWOVTJC-CYBMUJFWSA-N 330.388 2.645 0 50 EFAA Cc1cc(O)cc(C)c1NC(=O)C(=O)Nc1c(C)cc(O)cc1C 642887188 VGDOSNKYJILNDC-UHFFFAOYSA-N 328.368 2.909 0 50 EFAA in-vitro O=C(N[C@H]1CCCC(F)(F)C1)N1CCN(c2cccc(O)c2)CC1 332545895 MUIYNFXSGLJENY-ZDUSSCGKSA-N 339.386 2.802 0 50 EFAA CC(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)n[nH]1 236682887 YCENUQJQOHVJBL-UHFFFAOYSA-N 341.411 2.792 0 50 EFAA O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)C1(C(F)(F)F)CCCC1 333105054 CXLZBWAXIINZDO-LLVKDONJSA-N 347.358 2.754 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)CCc1ccccc1OC(F)(F)F 237590722 CFJZBHYJUPVTBJ-WCQYABFASA-N 330.350 2.856 0 50 EFAA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 131191145 BQNYAXXFRBKCSZ-SFHVURJKSA-N 338.407 2.689 0 50 EFAA C[C@H](NC(=O)NCc1cccnc1OCC(F)F)c1cscn1 660968730 QAXKKUHZLOKSNP-VIFPVBQESA-N 342.371 2.742 0 50 EFAA Cc1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)ccc1Cl 263036831 VKHVJVZAMIPLBF-CYBMUJFWSA-N 325.792 2.506 0 50 EFAA Cc1ccc(-c2nn(C)cc2CN2C[C@@H](CC(=O)O)C(C)(C)C2)o1 2325787931 CIOXZTBDAVOHDZ-CQSZACIVSA-N 331.416 2.921 0 50 EFAA CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1 63646 QLMVIDYPIAELMH-UHFFFAOYSA-N 349.408 2.512 0 50 EFAA COc1cc2oc(=O)c(Br)c(C)c2c(OC)c1OC 300863 WECXAKBVOYDATF-UHFFFAOYSA-N 329.146 2.890 0 50 EFAA COc1cccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)c1 352153 QLOFJRJIVNIGEZ-DOMZBBRYSA-N 342.317 2.948 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 553932 QIFUNABDVVDVGC-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA COc1cccc2ccc(N3CCC[C@]4(CN(C)CC[C@@H]4O)C3)nc12 2356147514 ZQEKYTLYUNPUPW-PXNSSMCTSA-N 341.455 2.526 0 50 EFAA Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 2998710 PPXOQXIXZURWOP-UHFFFAOYSA-N 346.770 2.632 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2cc3cc(C)ccc3n2C)CC[C@H]1O 2356164714 DIAKXBFBVFNUDW-UYAOXDASSA-N 344.455 2.924 0 50 EFAA CCCC[C@@H]1CN(CCNC(=O)[C@H]2CCOC2)Cc2ccccc2O1 104345404 YQTQFULRFZQOOT-ZWKOTPCHSA-N 346.471 2.593 0 50 EFAA Cc1cc(N2CCN(C)CC2)n2ncc(-c3ccc(F)cc3)c2n1 9341694 SKCKMKYQUZQCBF-UHFFFAOYSA-N 325.391 2.596 0 50 EFAA Cc1cccc(N2CCN(CC(=O)NC3CCCCC3)CC2)c1C 55060393 NUWAUHVAFRARAA-UHFFFAOYSA-N 329.488 2.874 0 50 EFAA Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NS(C)(=O)=O 10314771 SVSULJBIFVDHTM-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA CN(C)c1noc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 249580469 NGHKPQHCDRSJRN-UONOGXRCSA-N 334.420 2.597 0 50 EFAA COCc1cc(CN(C)C(=O)c2c[nH]nc2C2CCCCC2)n[nH]1 67820612 MUEOBEMRBAJNKP-UHFFFAOYSA-N 331.420 2.599 0 50 EFAA CCN(CC)Cc1nnc2sc(-c3cccc(OC)c3OC)nn12 61722139 WIYJKIROWSPXQX-UHFFFAOYSA-N 347.444 2.712 0 50 EFAA Oc1cc(-c2cccnc2)cc2c1OCCN(CCn1ccnc1)C2 67787106 WMSPMWBQTWBGOK-UHFFFAOYSA-N 336.395 2.545 0 50 EFAA O=C(O)CC[C@@H](NC(=O)c1noc2c1CCCC2)c1ccccc1 139426229 AWUBXFPBZBPDIN-CQSZACIVSA-N 328.368 2.889 0 50 EFAA O=C(c1ccccn1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 20992697 SPGOHJPOAOKXMW-HXUWFJFHSA-N 340.423 2.765 0 50 EFAA O=C(NCc1nnc2n1CCCCC2)c1c[nH]nc1C1CCCCC1 69371205 KNLCQEHOLSRRLR-UHFFFAOYSA-N 342.447 2.705 0 50 EFAA Cc1noc(C)c1CCNC(=O)Nc1cc2c(cc1F)NC(=O)CC2 120604188 ZHXWGTDGFASRLY-UHFFFAOYSA-N 346.362 2.679 0 50 EFAA C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)o1 252477205 JYWYMPSTAJCLSX-FSDCSDTHSA-N 344.455 2.662 0 50 EFAA COc1cccc(NC(=O)NC[C@H]2CCN(Cc3cc(C)no3)C2)c1 67982067 LGRGNUZYFGEDFF-CQSZACIVSA-N 344.415 2.635 0 50 EFAA CCn1ccnc(N2CCC(N[C@@H](C)CCC=C(C)C)CC2)c1=O 328630368 JIOKTKMRQHJBIC-INIZCTEOSA-N 332.492 2.957 0 50 EFAA O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@]2(CCNC2)C1 67817181 OQHGOKJTONEYTR-CQSZACIVSA-N 349.283 2.758 0 50 EFAA Cc1nnc([C@H](C)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)o1 253356070 WDCXADBSRGXNNZ-CMPLNLGQSA-N 349.822 2.838 0 50 EFAA CC[C@H](O)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 253415254 RUWMEWJZVCGBOC-WMZOPIPTSA-N 329.396 2.680 0 50 EFAA CCc1cnc(N2CCN(C(=O)COc3ccccc3F)CC2)s1 359624242 MRWZFMBOUGCASU-UHFFFAOYSA-N 349.431 2.572 0 50 EFAA CN(C)c1ncc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 71764420 DIZADEPSSZEDRY-MRXNPFEDSA-N 332.835 2.770 0 50 EFAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C=O)[nH]1 363316979 RUFKTZZZJGLLJX-HNNXBMFYSA-N 325.412 2.564 0 50 EFAA Cc1cc(=O)c(C(=O)NC[C@H]2Oc3ccccc3[C@H]2C)cn1C1CC1 366019584 GRCKZOSSWVKKHS-BFUOFWGJSA-N 338.407 2.786 0 50 EFAA COCCN(C(=O)c1cc(C)cc2c(C)ccnc12)[C@@H]1CCOC1 341640182 GYUTXSSNONBDFF-OAHLLOKOSA-N 328.412 2.729 0 50 EFAA O=C1CN(C(=O)c2cccc3ccsc23)CCN1CC(F)(F)F 285840354 OXRBANZJBAKHHI-UHFFFAOYSA-N 342.342 2.748 0 50 EFAA CC(=O)c1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cs1 215813389 USERBMDMFOXBEP-UHFFFAOYSA-N 344.436 2.778 0 50 EFAA O=C(c1cscn1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261674100 GNQWHFQPAXULEE-CQSZACIVSA-N 333.482 2.989 0 50 EFAA Cc1ccc2[nH]c(C(=O)N(CCC(=O)O)C3CCOCC3)cc2c1C 237856766 ZYCLRZFPIMZMTA-UHFFFAOYSA-N 344.411 2.881 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 262122017 MFUPGILKERPYRF-ZDUSSCGKSA-N 334.372 2.562 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)c3cn(C(C)C)nn3)C2)sc1C 340720602 IRTXMMZDAOUIAW-CYBMUJFWSA-N 333.461 2.952 0 50 EFAA Nc1nccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 71775838 HQDOKRVVEKNCKJ-LBPRGKRZSA-N 325.199 2.944 0 50 EFAA C[C@@]1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCO1 72411411 LZIDQMHIGQPOMX-KRWDZBQOSA-N 331.441 2.514 0 50 EFAA C[C@@]1(c2cnccn2)NC(=O)N(CCc2ccc3ccccc3c2)C1=O 374491610 GNDGCPVETQUMGC-FQEVSTJZSA-N 346.390 2.640 0 50 EFAA COCc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)no1 173744879 BCTRTXWRHRRCSS-SFHVURJKSA-N 337.379 2.868 0 50 EFAA CC[C@H](CO)N(C)C(=O)c1cccc(OCc2c(C)noc2C)c1 452286282 WWGZYWBJKZEPOO-OAHLLOKOSA-N 332.400 2.713 0 50 EFAA Cc1ccoc1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 158664107 WRQXRMBBWAELMP-MRXNPFEDSA-N 326.396 2.552 0 50 EFAA 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Cc1c(O)cccc1C(=O)NC1CCN(C(=O)C2CCCC2)CC1 299799574 SJCNPEFLTXZLRJ-UHFFFAOYSA-N 330.428 2.612 0 50 EFAA CCCc1nc(C)c(CNC(=O)c2c3c(nn2C)CCCC3)s1 299797671 NRALVDWIIAICSD-UHFFFAOYSA-N 332.473 2.946 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1ccc(OC)nc1 299764540 IUMKDDAVDLEESS-UHFFFAOYSA-N 331.376 2.795 0 50 EFAA O=C(NCc1ccno1)c1cccc(-c2nccnc2N2CCCC2)c1 299786296 JGTFNKKNUASZIU-UHFFFAOYSA-N 349.394 2.662 0 50 EFAA CCCCCCOC(=O)[C@@H]1CN1[C@H](Cc1ccccc1)C(=O)OCC 584904331 MXCHQFBWHCWGRT-IZKAZRHKSA-N 347.455 2.969 0 50 EFAA O=C(N[C@H]1CCCC[C@@H]1CO)c1cccc(OCc2cccnc2)c1 269099660 HNSRPTTULIHNPS-MJGOQNOKSA-N 340.423 2.942 0 50 EFAA NC(=O)[C@@H]1CCCN1C(=O)Cc1coc2c(Cl)c(Cl)ccc12 869424103 MJRWHXIYMSAFEL-NSHDSACASA-N 341.194 2.758 0 50 EFAA CCc1cnc(O)c(C(=O)N[C@@H](C)[C@@H](O)c2cccc(Cl)c2)c1 1875267793 NZZWZEARKJISCB-ZUZCIYMTSA-N 334.803 2.855 0 50 EFAA O=C(c1cc(-c2c[nH]c3ccccc23)[nH]n1)N1CCC[C@@]12CCOC2 1875270723 DQNPYCCDYWSJPC-IBGZPJMESA-N 336.395 2.953 0 50 EFAA Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)ccc1OC(C)C 1875272343 YRBHNNFXXGMYJI-UHFFFAOYSA-N 341.408 2.764 0 50 EFAA C[C@H]1C[C@H](NC(=O)N=c2cc(-c3cccs3)o[nH]2)c2nccn21 1875296575 DQKHYJXUDSYWQK-UWVGGRQHSA-N 329.385 2.849 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(C(C)(F)F)CC3)n[nH]c21 1875297807 DQBXZKXEFGZGKP-ZJUUUORDSA-N 327.375 2.939 0 50 EFAA CC(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1CCC(CO)CC1 1875335414 IAQXVXHGNURMTH-UXHICEINSA-N 344.499 2.622 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCOC23CCCC3)cc1 1875373978 WYDULSSKPDYONN-MRXNPFEDSA-N 328.412 2.667 0 50 EFAA COC(=O)[C@H](C)[C@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1875370404 NRMAWSAFLWFPFW-PSASIEDQSA-N 331.199 2.802 0 50 EFAA CC(C)c1ccc(-n2cc(C3(F)CN(C(=O)[C@@H]4C[C@H]4F)C3)nn2)cc1 1875353765 FSQJVBSDOQSTDN-HUUCEWRRSA-N 346.381 2.756 0 50 EFAA CC(C)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1CCCN(C)CC1 1875335571 VANLHSUPRFREBU-PMACEKPBSA-N 343.515 2.555 0 50 EFAA CC(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCCN(C)CC1 1875335573 VANLHSUPRFREBU-VQTJNVASSA-N 343.515 2.555 0 50 EFAA Cc1ccc(C(=O)N(CCO)Cc2ccc(F)cc2)n1C(F)F 952987234 MNQRKNDDHLNUFG-UHFFFAOYSA-N 326.318 2.965 0 50 EFAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cc(Cl)cn1C 952981548 IPPKTEDQZLHKKA-UHFFFAOYSA-N 348.834 2.739 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1nc(C(C)(C)C)co1 893065039 ITUVUEBDHITCJD-AWEZNQCLSA-N 343.431 2.947 0 50 EFAA CCc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)ncn1 895709360 DPVZPYQGXKNPOY-GFCCVEGCSA-N 334.221 2.933 0 50 EFAA Cn1cc(CN2C(=O)O[C@](C)(c3ccccc3)C2=O)c(C(F)F)n1 1773390956 HQHKWXUFZNOWJL-MRXNPFEDSA-N 335.310 2.752 0 50 EFAA O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1conc1C(F)(F)F 1775988081 CPBNCORUUPJYSA-SNVBAGLBSA-N 348.708 2.680 0 50 EFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@]2(CC(C(=O)O)=NO2)C1 1775999476 UHDGBMSDGGDYKB-LIRRHRJNSA-N 344.411 2.711 0 50 EFAA O=C(Cc1ccsc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 1565513107 JQLINDCCJJTSSL-CVEARBPZSA-N 332.469 2.540 0 50 EFAA CCCC(=O)C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565516372 LYNWHNFBJCRTTE-WBVHZDCISA-N 332.419 2.618 0 50 EFAA 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EFAA Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)c(Cl)cc1F 170594432 ODPXIYHMKYMMJK-UHFFFAOYSA-N 339.754 2.606 0 50 EFAA O=C(NCc1ccc(Br)cc1)N[C@@H]1CCC[C@H]1CCO 187044745 DXDIYYNBXANZIZ-GXTWGEPZSA-N 341.249 2.799 0 50 EFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(CCn2ccnc2)C1 280530654 SJCAGUWYQFZMOC-WFASDCNBSA-N 325.334 2.710 0 50 EFAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCN1 188368396 SHRMQUHDDUTLEU-WXHSDQCUSA-N 328.334 2.509 0 50 EFAA O=C(O)[C@H](c1ccsc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 659797279 KLFVVJDHTOWECE-BBWFWOEESA-N 331.437 2.972 0 50 EFAA O=C(NCc1ccc2occc2c1)N1CC[C@@H](C(=O)N2CCCC2)C1 661576461 DPNJSIIVXPCIQU-MRXNPFEDSA-N 341.411 2.587 0 50 EFAA C[C@H](NC(=O)[C@]1(C(=O)O)CC1(C)C)c1ccc(OC(F)F)cc1 663101239 FDNTUVZCIYVYOB-FVMDXXJSSA-N 327.327 2.966 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc(C3CCOCC3)n2)O1 665008555 VIJKSIOYNDNCJU-RHSMWYFYSA-N 343.427 2.926 0 50 EFAA CCc1c(C)noc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 1506403722 DDALOPURYXQVFL-LBPRGKRZSA-N 343.383 2.546 0 50 EFAA Cc1cccc(=O)n1CCC(=O)Nc1nnc(SC(C)C)s1 1506396676 MAFBTUWUPKPTQM-UHFFFAOYSA-N 338.458 2.538 0 50 EFAA CO[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)C[C@H]1Cc1cc(C)no1 1529145590 DCDWLCRTSRXWCH-OCCSQVGLSA-N 348.424 2.577 0 50 EFAA COC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 469389 PUCRQMKFQJIVOA-CLFYSBASSA-N 340.129 2.579 0 50 EFAA CS(=O)(=O)c1cccnc1-c1ccc(O)c(OC(F)(F)F)c1 1772812715 OGVPJIOSBKGAEC-UHFFFAOYSA-N 333.287 2.756 0 50 EFAA COc1cccc(-c2nc(CC(C)C)nn2-c2ccnn2C)c1OC 1772819345 JXOYENGUKDXZJX-UHFFFAOYSA-N 341.415 2.884 0 50 EFAA Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 12242251 KDHXZAWSHKEWMR-LLVKDONJSA-N 341.383 2.565 0 50 EFAA O=C(Cc1ccsc1)N1CCC(=O)N(Cc2ccccc2)CC1 12453545 WVQCLEOGKLNCNB-UHFFFAOYSA-N 328.437 2.552 0 50 EFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCCCCC1 12836722 VMRDMBGCXRKBRL-NRFANRHFSA-N 344.499 2.849 0 50 EFAA CC[C@@H](C(=O)Nc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711000 OUKSXQNCJYERPX-INIZCTEOSA-N 332.425 2.870 0 50 EFAA O=C(CCn1c(CO)nc2ccccc21)NC[C@H]1CC[C@@H]2CCC[C@@H]21 1857677269 UFYQBSGVQGSYPH-XHSDSOJGSA-N 341.455 2.861 0 50 EFAA CC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3 1857737962 LFUQBWIDBCAWFI-WFXMFSGNSA-N 332.444 2.535 0 50 EFAA CC(=O)c1c(C)nn(C[C@@H](O)COc2ccc3c(c2)CCC3)c1C 614532 JNWKHNANKUHZDT-QGZVFWFLSA-N 328.412 2.631 0 50 EFAA COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCCO1 408514606 CMDXEOWYSZMGNC-LBPRGKRZSA-N 348.262 2.665 0 50 EFAA Cc1cc(NC(=O)NC[C@@H]2CCCNC2)cnc1N1CCCC[C@H]1C 333201891 YABIBABFVATISL-HZPDHXFCSA-N 345.491 2.890 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](Nc2ncnc(N)c2Cl)[C@H]1n1cccn1 450861481 DUFHMQQBFPSXHI-HOSYDEDBSA-N 336.827 2.518 0 50 EFAA Cc1ccccc1OC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 131654307 YAXKMWLUYBHDOV-HNNXBMFYSA-N 327.380 2.698 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 151387865 YCYBMOBWYKZMNU-BEFAXECRSA-N 347.459 2.813 0 50 EFAA Cc1csc(C)c1S(=O)(=O)Nc1ccnn1[C@H]1CCCOC1 903684002 HTJWKXFRHWFGNJ-LBPRGKRZSA-N 341.458 2.714 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H](C)Cc1cccnc1 930849589 RATIZGIQDCTOAD-VIFPVBQESA-N 341.337 2.895 0 50 EFAA FC(F)(F)c1ccc(OC2CCN(Cc3cnns3)CC2)nc1 932231083 TXVLWIQCMBRZNT-UHFFFAOYSA-N 344.362 2.995 0 50 EFAA Cn1cc(CNC(=O)c2cnn(C3CCC3)c2)c(-c2ccccc2)n1 935324670 QOSWIJMLAOWLFT-UHFFFAOYSA-N 335.411 2.939 0 50 EFAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCO[C@@]2(CCCOC2)C1 935913804 AFGNJFKDEAHZBB-FQEVSTJZSA-N 340.423 2.627 0 50 EFAA COc1ccc(F)cc1C(=O)N(C)C[C@]1(O)CCc2ccccc21 843953654 LIQIAXUFYJRKCU-LJQANCHMSA-N 329.371 2.740 0 50 EFAA Cc1sc([C@H](C)N)nc1C(=O)Nc1cccc(-n2cnnc2C)c1 2325768556 YBBFWQVVKODHEZ-VIFPVBQESA-N 342.428 2.613 0 50 EFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C[C@H]2CCOC2)s1 2325781358 IIFSSEDPOXPNAH-DGCLKSJQSA-N 346.456 2.514 0 50 EFAA CCc1ccnc(C(=O)N[C@@H]2CCCO[C@H]2c2nccn2CC)c1 900754679 VEVIEDVOUPSXNL-GDBMZVCRSA-N 328.416 2.511 0 50 EFAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(O)nc2c1CCCC2 934922159 MIZUWXQZWGLKLE-ZDUSSCGKSA-N 330.428 2.888 0 50 EFAA O=C(Cc1ccc(O)cc1)N[C@@H]1CCN(c2ccccc2Cl)C1=O 133732751 NUGOEHQGYHLGDK-OAHLLOKOSA-N 344.798 2.510 0 50 EFAA COc1ccc(-c2cc(=O)oc3c(C)c(OCC(N)=O)ccc23)cc1 107601 WGTMDHBUFPNDDZ-UHFFFAOYSA-N 339.347 2.641 0 50 EFAA biogenic CCOc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 223690 GEKCCQXLTVWKCB-UHFFFAOYSA-N 337.379 2.513 0 50 EFAA Cc1ccc(O)c(C(=O)CSc2nnnn2-c2ccccc2)c1 389937 DXBGFGAWBKBOAC-UHFFFAOYSA-N 326.381 2.651 0 50 EFAA O=C1OCC[C@H]1Sc1nnc(-c2ccc(Br)cc2)o1 616874 VWCCKYYBZXSZBT-SECBINFHSA-N 341.186 2.907 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OCC)c2)NC(=O)N1 618666 JKKBGUAJYBTCNH-MRXNPFEDSA-N 348.399 2.762 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccccc2N2CCOCC2)c1 792171 ZUPBOCUEMMZSQS-UHFFFAOYSA-N 326.396 2.849 0 50 EFAA COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 815581 WPGSXOLSDAHTGV-UHFFFAOYSA-N 348.786 2.540 0 50 EFAA COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 1534779 RLSGBCUXLRMTPF-UHFFFAOYSA-N 326.824 2.964 0 50 EFAA investigational CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(F)ccc2Cl)CC[C@H]1O 2356135987 BLHWBACYAWXEKM-CZUORRHYSA-N 343.782 2.557 0 50 EFAA S=C(NCCc1ccccc1)N1CCN(c2ccccc2)CC1 2779536 KWWFAHMNNPSAOB-UHFFFAOYSA-N 325.481 2.926 0 50 EFAA CCc1nn(C)c(NC(=O)Cc2nonc2C)c1-c1ccc(F)cc1 2356148902 ZKFUHVWJTUDELY-UHFFFAOYSA-N 343.362 2.661 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 8304208 IRXUZTYIUBHZCD-OAHLLOKOSA-N 342.468 2.614 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O 25757268 DPQOMEPZWBXAMA-QMMMGPOBSA-N 333.215 2.619 0 50 EFAA in-vitro Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c(O)c2ccccc21 100512490 QLXIULHKBCVBNP-UHFFFAOYSA-N 342.782 2.828 0 50 EFAA O[C@@H](COCc1ccccc1Cl)CN1CCC[C@H]1Cn1cccn1 247753528 XNVLUYHNUJBNGT-DLBZAZTESA-N 349.862 2.579 0 50 EFAA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(Br)cc1 20058923 YHNOBRWBDPYSQK-JKSUJKDBSA-N 348.244 2.803 0 50 EFAA Cc1cc(NC[C@]2(N(C)C)CCSC2)nc(-c2cccnc2)n1 65460454 KTLOVWZJONPTMC-QGZVFWFLSA-N 329.473 2.696 0 50 EFAA CC[C@H](O)Cn1cc(C2=CCN(CCN3CCCCCC3)CC2)cn1 65425413 NQPPUQLKSFJKNS-FQEVSTJZSA-N 346.519 2.619 0 50 EFAA c1ccc([C@@H]2OCCC[C@H]2CNC[C@H]2CNc3ccnn3C2)cc1 252463419 NLVLERBSIUTMJT-IEZWGBDMSA-N 326.444 2.682 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1nc2ccccn2c1=O 229721768 BFSXSRFTUNMAFG-KFWWJZLASA-N 331.416 2.500 0 50 EFAA CSc1nsc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)n1 120250479 FSFRNFCRGZTWLE-NSHDSACASA-N 341.506 2.600 0 50 EFAA Cc1nc(CN2CCCS2(=O)=O)oc1-c1ccc(Cl)cc1 122009345 APXSMJVRGPAFJO-UHFFFAOYSA-N 326.805 2.839 0 50 EFAA O=C(NC[C@@]1(CCO)CCOC1)[C@H](F)c1ccc(C(F)(F)F)cc1 253393266 XRAJQQMFIDPOPY-UKRRQHHQSA-N 349.324 2.621 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)ccc2N1 253395367 DDJBKWGHSHEUDG-KBAYOESNSA-N 342.439 2.727 0 50 EFAA Cc1cc2n(n1)CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 72428410 FLGYCTGNQKPESN-UHFFFAOYSA-N 341.455 2.941 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccn(C(C)C)n3)C2)no1 253433410 WNNDOUWANRGTQU-CYBMUJFWSA-N 332.408 2.642 0 50 EFAA CC(C)(C)c1cnc(CN[C@H]2CCCN(c3ncccn3)C2)s1 253425487 CYWUOCPGXATBLM-ZDUSSCGKSA-N 331.489 2.989 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Cn2ccnc2)cc1 77505529 ZMKBSGNUCDOPFA-SFHVURJKSA-N 326.444 2.699 0 50 EFAA Cc1noc([C@@H](NCc2csc(C3CC3)n2)C2CCOCC2)n1 328617189 CKSIQOBXXMLYSV-AWEZNQCLSA-N 334.445 2.969 0 50 EFAA C[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)C1 328644065 RPJZBZRWINYSRA-YOEHRIQHSA-N 330.476 2.684 0 50 EFAA CC(C)c1noc([C@H](NC(=O)c2ccc(F)cn2)C2CCOCC2)n1 328612976 QLONUSABKMDEKR-CQSZACIVSA-N 348.378 2.625 0 50 EFAA O=C([C@H]1CCCN1c1nccs1)N1CCc2ccccc2CC1 363419052 SXWOWNYEFDRRAM-MRXNPFEDSA-N 327.453 2.739 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)Cc2ccccc2O1 366214400 IRENWIPYIKQXTI-LBPRGKRZSA-N 343.408 2.535 0 50 EFAA O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCCO1 155785551 GYTOJIKXFOJNPD-CYBMUJFWSA-N 346.330 2.600 0 50 EFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 77556141 XJZDTWKMNCSSQS-MAUKXSAKSA-N 340.423 2.943 0 50 EFAA Cc1c(NC(=O)NCC2(O)CCCCC2)cnn1-c1ccccc1 157083560 KTSXBWMDDKTWOM-UHFFFAOYSA-N 328.416 2.997 0 50 EFAA Nc1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 77535737 ACXXETFSEGRONL-KRWDZBQOSA-N 337.423 2.718 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2cc(C)n(CC)c2C)(C(=O)O)C1(C)C 262846401 VTPWVCHXODYAAD-RDTXWAMCSA-N 336.432 2.513 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)Nc2ccc3nncn3c2)c2ccccc21 373323382 GCWBUYWTRCFREM-CQSZACIVSA-N 349.394 2.598 0 50 EFAA CCCc1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1 72173715 MCWDZMQNCLPWII-UHFFFAOYSA-N 337.427 2.714 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cnc3c(C)cccn23)c1 337411805 QZCXBERPIIKVSX-IEBWSBKVSA-N 337.423 2.959 0 50 EFAA Cn1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)n1 175826451 VYYMJOIFTKXHET-GFCCVEGCSA-N 333.823 2.864 0 50 EFAA O=C(Cc1ccc(F)c(F)c1)NCC[C@H]1COc2ccccc2O1 216200419 BPKKSPIJNWFJBW-ZDUSSCGKSA-N 333.334 2.854 0 50 EFAA C[C@H](C(=O)Nc1cnc(-c2cccc(O)c2)nc1)C1CCOCC1 131390335 NGRWFUBBBIFFJS-LBPRGKRZSA-N 327.384 2.850 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2cccnc2)on1 237982218 LRGZORWJSVXJIJ-CQDKDKBSSA-N 341.367 2.595 0 50 EFAA Cc1cc(NCc2nc(-c3ccccn3)no2)n2nc(C)c(C)c2n1 72425362 GTKQAGWQLHLENP-UHFFFAOYSA-N 335.371 2.712 0 50 EFAA O=C(CCCn1cncn1)N1CCc2[nH]c3c(Cl)cccc3c2C1 77320807 QIHCINPCRKHYQB-UHFFFAOYSA-N 343.818 2.778 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N3C[C@H](C(=O)O)CC[C@H]3C)cc2)n1 263141725 GRUXEDWERMNZEF-UKRRQHHQSA-N 327.384 2.506 0 50 EFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)Nc1cccnc1 337722093 PZYSKDPGFTZZDT-LSDHHAIUSA-N 329.787 2.593 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[C@H]1CCCOC1 193029777 OBZISGYQDZKJKM-OAHLLOKOSA-N 330.428 2.986 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 263328812 PKFHJAMBCLWXKP-ZDMBXUJBSA-N 346.210 2.644 0 50 EFAA CN(C)[C@@H](CNC(=O)c1cnoc1-c1ccccc1)c1ccco1 136101278 XYGYTENDUOHMQK-HNNXBMFYSA-N 325.368 2.967 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCC[C@@H](OCC3CC3)C2)cc1 263535633 OKXPFORORCNLQC-QGZVFWFLSA-N 331.412 2.735 0 50 EFAA COc1cccc2c1CCN(C(=O)NCc1ccc(C(=O)O)cc1)C2 263506069 XDWZKKWJWHSDED-UHFFFAOYSA-N 340.379 2.661 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)Cc3cc(C)no3)C2)CCC1=O 82087470 FQVHSYOYYFGRQX-IBGZPJMESA-N 347.459 2.557 0 50 EFAA CC(C)C[C@H](O)C1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 82109032 KUYIYMCIHQRZEQ-KRWDZBQOSA-N 345.443 2.784 0 50 EFAA OC[C@H]1CCCCN1CCn1cc(-c2ccc3ccccc3c2)nn1 82098540 RJPFUKILMAIHCU-LJQANCHMSA-N 336.439 2.945 0 50 EFAA Cc1cccnc1CN1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1 82161809 OPTKAOXMHXCNCP-UHFFFAOYSA-N 340.471 2.905 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cnc2c(F)ccc(F)c2c1 292686727 AGSMYSFEIPPGFB-HZPDHXFCSA-N 331.366 2.870 0 50 EFAA O=C(NCc1cccc(N2CCOCC2)c1)c1cncc(Cl)c1 295708465 YHHFPKHQBNEFIJ-UHFFFAOYSA-N 331.803 2.502 0 50 EFAA CCCN1CCC(CC(=O)N[C@@H](C(=O)O)c2ccc(F)cc2)CC1 95510163 LKBDKOGDTUPWJK-QGZVFWFLSA-N 336.407 2.580 0 50 EFAA CCC(=O)N1CCC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)C1 96164240 DYCZATWRYQBQLZ-LBPRGKRZSA-N 325.372 2.729 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc1Cl 239438981 ZGULSVCHJUAVDG-JSBGKLSNSA-N 343.766 2.596 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](O)C12CCCC2 293794872 BIGIDXKXAMFPHE-ZDUSSCGKSA-N 328.334 2.928 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)cc1 92045587 GRTDYRWNAXPWTG-DLBZAZTESA-N 326.444 2.515 0 50 EFAA O=C(c1cccc(N[C@H]2CCOC3(CCC3)C2)c1)N1CCC[C@H](O)C1 294813568 QOHBIIUACALZDW-ROUUACIJSA-N 344.455 2.797 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)C2(N3CCCCC3)CCCCC2)C[C@H]1C1CC1 91644642 DNZKEKIHXHIKRB-DLBZAZTESA-N 348.487 2.744 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@]2(CCOC2)C1 95367211 OZVRPGONVGEAHP-FQEVSTJZSA-N 338.407 2.685 0 50 EFAA CCCN1CCC(CC(=O)N2CCC(Cc3nc(C)no3)CC2)CC1 95518194 HHOVUQFFKMYANH-UHFFFAOYSA-N 348.491 2.671 0 50 EFAA CC[C@H](C(=O)NCCCc1nc2cc(F)ccc2[nH]1)n1cccn1 244795440 RGKLJJCDVQTMAC-OAHLLOKOSA-N 329.379 2.599 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(F)cc1 299753379 YANFCNGQIYJQCX-HUUCEWRRSA-N 329.327 2.634 0 50 EFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 299754157 IDQBCULUVHLDSI-CFVMTHIKSA-N 349.431 2.585 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2cnc3cnn(C)c3c2)cs1 1940197537 XXOUCCKAVYHZKA-UHFFFAOYSA-N 329.429 2.820 0 50 EFAA CN1CCC(N(C)Cc2cccc(OC[C@H]3CCCNC3)c2)CC1 299765666 BNNHLDSEYYCTAP-SFHVURJKSA-N 331.504 2.591 0 50 EFAA Cc1nccn1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299771991 YZLNYKJXKPCXNG-OTWHNJEPSA-N 338.455 2.533 0 50 EFAA CC(C)n1cc(NC(=O)N(C)Cc2cc(-c3cccnc3)no2)nn1 299773400 AAGIOLWOFBDBMU-UHFFFAOYSA-N 341.375 2.573 0 50 EFAA NC(=O)c1cccc(NC(=O)NC[C@@H]2CCN(C3CCCCC3)C2)c1 299774742 IBIJXRYWOKMCDZ-AWEZNQCLSA-N 344.459 2.562 0 50 EFAA CCc1noc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C)n1 823569267 BKZBXVGCIIBHDQ-SECBINFHSA-N 329.809 2.633 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1c(OC)cccc1OC 823819625 FKFRYLFQFLHZDA-UHFFFAOYSA-N 342.395 2.635 0 50 EFAA Cc1nc([C@@H]2CCC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1 670474198 LVKFHENMIPVGRO-LLVKDONJSA-N 330.354 2.797 0 50 EFAA CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(C2CCOCC2)n[nH]1 952993079 VSBKFUQFWWXTRY-UKRRQHHQSA-N 334.464 2.716 0 50 EFAA Cc1ccc(C(=O)Nc2nc3n(c2C(=O)OC(C)(C)C)CCC3)o1 1875272593 OYCQEIWOTRULNG-UHFFFAOYSA-N 331.372 2.938 0 50 EFAA CCc1ccc2c(c1)CCN(C(=O)NCc1ncnn1C(C)(C)C)C2 1875277293 SZBHORFIXPHFTL-UHFFFAOYSA-N 341.459 2.863 0 50 EFAA O=C1CC[C@@H](CCNc2nc(-c3ccccn3)nc3sccc23)N1 1875268543 IUMXUNRVVZWKFL-NSHDSACASA-N 339.424 2.834 0 50 EFAA C[C@H](NC(=O)NC[C@@H]1C(=O)NCC[C@@H]1C)c1ccc(F)c(Cl)c1 1875300825 RQVAAVLHAARBJR-NHCYSSNCSA-N 341.814 2.612 0 50 EFAA C[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 268986327 PVGZDPAZJBEDKI-MFKMUULPSA-N 345.317 2.511 0 50 EFAA FC(F)COc1cc(CNc2nnc(-c3ccon3)s2)ccn1 888090953 MKWLCYHMPGJGSE-UHFFFAOYSA-N 339.327 2.844 0 50 EFAA CN(CC1=CCCOC1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccn1 888101685 LBUCUOLSMMPCKE-FUHWJXTLSA-N 329.444 2.781 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473708 JJHALIIZMQVFTB-KBXCAEBGSA-N 329.444 2.983 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)NC1(CO)CCSCC1 408520105 GHHIDEGKFGMUKD-UHFFFAOYSA-N 348.493 2.727 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)NO[C@@H]3CCCCO3)CC2)c1 166945303 VCFRDPQWBTWJHH-QGZVFWFLSA-N 333.432 2.593 0 50 EFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc[nH]c1)CC2 275504045 BIGDYISOPDXBJC-AWEZNQCLSA-N 330.457 2.598 0 50 EFAA O=C(NCc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)nc1O 676254514 UZPCKZWWJXUOIW-UHFFFAOYSA-N 338.285 2.766 0 50 EFAA Cc1noc([C@@]2(O)CCN([C@@H](C)c3ncc(-c4ccccc4)o3)C2)n1 277315008 FKPRGNUVRKEITG-KPZWWZAWSA-N 340.383 2.688 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CCO1 188206880 GKFRNJLPSIRFAG-RDTXWAMCSA-N 343.431 2.539 0 50 EFAA CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC([C@@H]2CCCO2)CC1 189188514 RRTGAEJVQDULBT-ZBFHGGJFSA-N 334.464 2.682 0 50 EFAA Cc1cc(-c2ncccc2NC(=O)N[C@@H](C)C(=O)N(C)C)cs1 190866034 WIJAGICVQCZMFX-NSHDSACASA-N 332.429 2.717 0 50 EFAA CN(C)c1noc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 192742608 NGHKPQHCDRSJRN-KGLIPLIRSA-N 334.420 2.597 0 50 EFAA CCc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc1 1529174481 WFGBIEMFVUXTCP-NHCUHLMSSA-N 337.467 2.902 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1 36075 UMFVGVQNRKEYEY-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA in-vitro Cc1cc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n(C)n1 212200908 YLCMQFBGJUWHCR-QUCCMNQESA-N 349.434 2.872 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)Cc3ccc(O)c(F)c3)C[C@H]2C1 1704352763 IUVFGBBYJVKINH-GEEKYZPCSA-N 334.435 2.651 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ccccc1Br 237388279 XYEQOPMMLSQMKX-DGCLKSJQSA-N 325.250 2.720 0 50 EFAA COc1ccc(-c2onc(N3CCO[C@@H](C4CC4)C3)c2C(=O)O)cc1 1704314162 QTAGCPSTDMUEBN-CQSZACIVSA-N 344.367 2.664 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)cc2[nH]1 1775982289 NRYJRLVUUUCYRH-LJQANCHMSA-N 335.411 2.715 0 50 EFAA O=C(C(=O)N1CCO[C@@H](CCCc2ccccc2)C1)c1ccco1 12303129 GEAJUOGGCBNEQW-INIZCTEOSA-N 327.380 2.713 0 50 EFAA CN1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc23)CC1 19691055 HIHJVHOIMHPEGD-UHFFFAOYSA-N 339.487 2.834 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)cc2)[C@H]1Cc1ccccc1 19744917 BWAUQKLUMWZLFB-INIZCTEOSA-N 328.799 2.523 0 50 EFAA CCNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCO3)c(C)c1 154324340 HQXRGTIXKZPAEZ-UHFFFAOYSA-N 340.379 2.655 0 50 EFAA COc1ccccc1C=C[C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)C 1857528705 GVORKDGOPRGWBV-AWEZNQCLSA-N 330.384 2.615 0 50 EFAA Cc1c(-c2nc([C@H](C)O)nn2CC(F)(F)F)nc2ccccn12 1857671111 OVTCBOGOVDLNED-VIFPVBQESA-N 325.294 2.517 0 50 EFAA Cc1noc(C)c1CCC(=O)Nc1cc(-c2cccnc2)nn1C 1875249038 GVJQOOYUBIOXCJ-UHFFFAOYSA-N 325.372 2.658 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC2Cc3ccccc3C2)C1 221831655 ZFNSJCQDCNPKOU-YAEBDLLGSA-N 334.485 2.533 0 50 EFAA C[C@@H](CNC(=O)[C@@H]1CCNC1)Sc1ccc(Br)cc1 225472333 SDYGMVOZGWWMKQ-WDEREUQCSA-N 343.290 2.655 0 50 EFAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(-c2ccccc2Cl)[nH]n1 120272272 AVPMYQQPXJTXET-LBPRGKRZSA-N 344.846 2.944 0 50 EFAA O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(C(=O)O)c1 739345694 NKJJBSXGERVHNN-UHFFFAOYSA-N 347.754 2.991 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N(C[C@H](C)C(=O)O)C1CC1 237463700 IDFDVARYYIKJOM-QMMMGPOBSA-N 330.306 2.734 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)C1 238071056 HMNOTWOZRXCALS-JTQLQIEISA-N 336.438 2.737 0 50 EFAA C[C@@H](c1ccon1)N(C)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12035448 OORKGZQFEGQUGN-ZBEGNZNMSA-N 331.347 2.721 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(C)no2)C1 242302446 YSRPCQIKLNQLHW-CWRNSKLLSA-N 341.411 2.896 0 50 EFAA Cc1nn(-c2ccccc2)cc1CNC1CCN([C@@H]2CCOC2)CC1 655750965 IEHWSTUTAMDNNU-HXUWFJFHSA-N 340.471 2.524 0 50 EFAA O=C(O)C1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 263569438 HMTPCSZWDKBKBP-SNVBAGLBSA-N 344.194 2.838 0 50 EFAA COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(C(=O)O)nc1)C2 910338579 PZYCMSYWLCAXRU-CYBMUJFWSA-N 326.352 2.532 0 50 EFAA Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@@H](O)CC(C)(C)C1 827734386 BQZMCDAODMKOPF-KRWDZBQOSA-N 341.455 2.781 0 50 EFAA Cc1ccc(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)c(C)n1 934502201 XSAXIXSTIOUZLR-HXUWFJFHSA-N 337.423 2.728 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 226128315 SXROKFABYHZTFM-JTQLQIEISA-N 329.213 2.660 0 50 EFAA CCc1nc(C)cn1S(=O)(=O)c1ccc(Br)cc1 264573 AOUROJDYTZRCLM-UHFFFAOYSA-N 329.219 2.753 0 50 EFAA Cc1cc(C)cc(C2(C(=O)N3CC[C@]4(CCC(=O)N4)C3)CCC2)c1 2325781751 HBGIUXCORYQHBP-LJQANCHMSA-N 326.440 2.606 0 50 EFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)C(F)(F)C[C@H]1CCCO1 2325792500 JGMXLVZRVQILGT-HZPDHXFCSA-N 349.381 2.945 0 50 EFAA C[C@@H]1Cc2cc(CNC(=O)Nc3cc(CN(C)C)ccn3)ccc2O1 932167830 OXTVWPQQANLPQH-CYBMUJFWSA-N 340.427 2.788 0 50 EFAA COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 249208 BOGGGRAGVGRUBB-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA CCN1Cc2nnc(-c3ccccc3OC)n2[C@@H](CC(C)C)C1=O 2356144910 RKPCCJORMWZUHP-AWEZNQCLSA-N 328.416 2.903 0 50 EFAA CCCCn1nc(CCc2ccccc2)nc1C[C@H]1CCC(=O)N1 2356154408 VAXCMMWKXFWUDS-MRXNPFEDSA-N 326.444 2.685 0 50 EFAA COCCC[C@@]1(CO)CN(Cc2ccc(CC(C)C)cc2)CC[C@H]1O 2356166909 OKVALOMBPREJOK-RTWAWAEBSA-N 349.515 2.857 0 50 EFAA O=C(O)C[C@@H](CC(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1 4845809 VCTGFTXIGXBBLH-CQSZACIVSA-N 327.336 2.972 0 50 EFAA Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4ccncc4)nc3c12 6669593 WZCAEHWSUNQBLW-UHFFFAOYSA-N 349.442 2.710 0 50 EFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3ccccc23)C1 10302211 CFJXRLHHWAMOSW-HNNXBMFYSA-N 346.452 2.840 0 50 EFAA Cc1cc(N2CCN(C(=O)c3ccccn3)CC2)nc2ccccc12 8991877 IKMXRIWVIYMWQV-UHFFFAOYSA-N 332.407 2.901 0 50 EFAA c1ccc(CN(Cc2cccn2-c2ncccn2)C[C@@H]2CCCO2)nc1 55404394 SGBSBSBQQAVFNX-IBGZPJMESA-N 349.438 2.844 0 50 EFAA COc1cccc([C@H]2CCN(C(=O)Nc3nc(C)ns3)C2)c1OC 20451435 CVZGUFZJPBKVTJ-NSHDSACASA-N 348.428 2.885 0 50 EFAA Cc1cnn([C@H]2CCCN([C@H](C)C(=O)NCc3ccc(F)cc3)C2)c1 247147981 LIVQPXVMOCFQLD-QAPCUYQASA-N 344.434 2.672 0 50 EFAA Cc1cc2ccccc2n1CCC(=O)NCc1cn2c(n1)SCC2 55271006 RREJWZVERZQKPT-UHFFFAOYSA-N 340.452 2.958 0 50 EFAA O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1Cl 20103319 ZRCRCQHRLYOMEM-AWEZNQCLSA-N 340.770 2.866 0 50 EFAA O=C(NCC[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1ccccn1 67673225 RJFCKKKHJCRUSQ-INIZCTEOSA-N 339.439 2.819 0 50 EFAA CCn1cnnc1CCn1cnc(-c2ccccc2)c1[C@H]1CCOC1 65372970 KQNYLNXVCPVCEH-INIZCTEOSA-N 337.427 2.908 0 50 EFAA Cc1cccc(CNCCC(=O)Nc2ccc(C(N)=O)cc2)c1C 65461891 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C[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccnc1 174826604 GBZFCWMFLYGHII-HNNXBMFYSA-N 327.428 2.901 0 50 EFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H]1COc2ccccc2C1=O 245841803 JXUYQWMFFAZFEA-MCIONIFRSA-N 327.405 2.920 0 50 EFAA CC(C)n1c([C@@H](C)NC(=O)[C@H]2CSC(=O)N2)nc2ccccc21 174984472 WULQUPWXHIWLHS-ZYHUDNBSSA-N 332.429 2.619 0 50 EFAA N[C@@H]1CCN(Cc2cccc(OCc3ccc(Cl)cc3)c2)C[C@H]1O 82114995 KLIOBEGOPHNQSI-RTBURBONSA-N 346.858 2.813 0 50 EFAA CN(CCc1ccncc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 220637850 LSDLTTWHGYDWLO-UHFFFAOYSA-N 343.471 2.511 0 50 EFAA CC(C)c1nc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cs1 223639840 VJDYFNOZSCBHFR-TZMCWYRMSA-N 347.440 2.628 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](c3ncon3)C2)c2ccccc2n1 426388118 FVAPPCJUWYVQMC-GFCCVEGCSA-N 338.367 2.646 0 50 EFAA Cc1nn(C)cc1-c1ccnc(N(C)C[C@H]2Cc3ccccc3O2)n1 48345573 YOBSYAVBYQPLRH-OAHLLOKOSA-N 335.411 2.625 0 50 EFAA CCc1ccc(Br)cc1C(=O)NC(C)(C)c1cnn[nH]1 822354428 UPWLDDABCYJXCX-UHFFFAOYSA-N 337.221 2.795 0 50 EFAA O=C(Nc1ccc(Cl)nc1)N1CCC(N2CCSCC2)CC1 95502889 XHCXAQIOVJRKKD-UHFFFAOYSA-N 340.880 2.780 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)c1cnc(C)nc1-c1ccccc1)C2 426581011 MMNJTSKQLCNWEL-UHFFFAOYSA-N 345.406 2.960 0 50 EFAA Cc1nccn1CC[C@@H](c1ccccc1)n1cc(-c2ncc[nH]2)nn1 92038639 MJTCOJKZZBGYPA-KRWDZBQOSA-N 333.399 2.853 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccc(Br)s2)C1 179010871 GQKOQLWHVQLJOH-RXNUUUNCSA-N 329.263 2.592 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)C1=Cc2ccccc2OC=C1 95367485 CIMWFYGAZWOJPL-QGZVFWFLSA-N 340.423 2.836 0 50 EFAA Cc1nc(Cn2cc(-c3cc(CN4CCCCC4)cs3)nn2)no1 91986241 PAKBHFGVNHJQMA-UHFFFAOYSA-N 344.444 2.732 0 50 EFAA CC(C)N1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)C1=O 91586403 WHJMXICPHVJDTQ-HXUWFJFHSA-N 344.455 2.705 0 50 EFAA CN(C(=O)c1sc2cccc(F)c2c1Cl)[C@H]1COC[C@@H]1O 91944010 AQLKTGYNFOHEJN-IUCAKERBSA-N 329.780 2.526 0 50 EFAA Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)cc2c1C 96160966 QNHNOPHTCIWKHX-SFHVURJKSA-N 342.439 2.931 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCc4ccccc43)CCO2)cn1 267595810 KQJJSCOSDZHFOU-MSOLQXFVSA-N 340.427 2.581 0 50 EFAA Cc1ccc(CCn2ccnc2-c2cn(C3CCNCC3)nn2)s1 91807205 IAHGQUSWXJCOLU-UHFFFAOYSA-N 342.472 2.679 0 50 EFAA CC(C)c1nn(C)cc1-c1noc(Cn2ccc(C(F)(F)F)n2)n1 293006275 LPZSBDRPCQWVAW-UHFFFAOYSA-N 340.309 2.857 0 50 EFAA Cc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1 23619484 AXEDCQJOGRURIM-KRWDZBQOSA-N 335.411 2.763 0 50 EFAA CN1CCC[C@@H](CCC(=O)NCc2nc(-c3ccccc3F)no2)C1 95380629 WEKDQHLEBVALSO-ZDUSSCGKSA-N 346.406 2.614 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1NC(C)=O 91965311 GYPXQUADYIJUNK-WFASDCNBSA-N 326.799 2.856 0 50 EFAA Cc1nccn1CC1(CNC(=O)[C@@H](C)n2ccnc2C(C)C)CC1 95518215 KQPVQAAYMHPVQI-CQSZACIVSA-N 329.448 2.669 0 50 EFAA c1ccc(CN2CCCO[C@@H](CN3CC(c4ccccn4)C3)C2)cc1 244620008 FKDXVESXZVKROR-HXUWFJFHSA-N 337.467 2.772 0 50 EFAA CC1(C)CN(C(=O)Nc2ccnnc2)C[C@@H](COc2ccccc2)O1 297430640 OLSPANNGJNGYSA-INIZCTEOSA-N 342.399 2.567 0 50 EFAA Cc1ccsc1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 183877766 VJMNENTVAYUDJO-UHFFFAOYSA-N 336.438 2.631 0 50 EFAA C/C=C/C[C@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 184016538 WQDUSECIVDILJJ-UUSSSYRCSA-N 334.416 2.857 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc2ccnn12 534590938 KDQUOATUXULCBV-AWEZNQCLSA-N 338.386 2.730 0 50 EFAA Cc1ccc(C)c([C@@H](NC(=O)CN2CCCC2=O)c2cccnc2)c1 299799471 RLFGDRRJBHTYMW-FQEVSTJZSA-N 337.423 2.526 0 50 EFAA CN(Cc1ccccc1)S(=O)(=O)NCCCc1ccccc1F 670446956 SFAKCDZPRMLCRK-UHFFFAOYSA-N 336.432 2.725 0 50 EFAA COc1ccc2c(c1)c(C(=O)N1CCc3nocc3C1)c(C)n2C 670455841 OXBQLUZSNIKEFT-UHFFFAOYSA-N 325.368 2.682 0 50 EFAA Clc1cnc(N2CCCOCC2)c(I)c1 952995517 OMERQSGSUVCQBI-UHFFFAOYSA-N 338.576 2.566 0 50 EFAA Cn1c(=O)n(CCCNC(=O)C2CCCC2)c2ccc(Cl)cc21 1875298731 LRXLKIKMWXDIHX-UHFFFAOYSA-N 335.835 2.690 0 50 EFAA O=C(c1coc(C2CCC2)n1)N1CC=C(C2(C(=O)O)CCC2)CC1 1875291808 MBRXALCZFBPOGT-UHFFFAOYSA-N 330.384 2.969 0 50 EFAA COc1ccc(C2(CNC(=O)C3=C(C)OCCO3)CCCC2)cc1 952979789 FWNOTUKPMBJXIR-UHFFFAOYSA-N 331.412 2.902 0 50 EFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)[C@H](C)n1cc(C)cn1 952988452 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EFAA COc1ccccc1C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 221813433 SIPSCVUFTWQQMZ-CVEARBPZSA-N 343.471 2.605 0 50 EFAA O=C1N[C@@H](C2CC2)C(=O)N1c1ccc(Br)c(Cl)c1 278013808 JHQKZLHFSVTWIM-JTQLQIEISA-N 329.581 2.937 0 50 EFAA COCC(C)(C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622984 HXXRBXQNIIYGDM-UHFFFAOYSA-N 343.305 2.910 0 50 EFAA O=C(CCc1ccncn1)Nc1cc(F)ccc1OC[C@H]1CCCO1 191239197 WJRDEPUEXCAESO-OAHLLOKOSA-N 345.374 2.745 0 50 EFAA Cc1cc(C)n(-c2ccc(C[S@](=O)CCn3cccn3)cc2)n1 195562642 LWQYBZDOADRXFO-HSZRJFAPSA-N 328.441 2.635 0 50 EFAA OC[C@H](NCC1(O)CCSCC1)c1cccc(Cl)c1Cl 662049950 DCUBJWVRBSCVIL-LBPRGKRZSA-N 336.284 2.875 0 50 EFAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(-n3nccn3)nc2)C1 755948087 VIOGCCXDUFPJBS-CJNGLKHVSA-N 349.398 2.672 0 50 EFAA CNc1nc(C(N)=O)c(NC(=O)c2cccc3c(C)c(C)[nH]c23)s1 1506405168 LQMNBOCRLVAKSY-UHFFFAOYSA-N 343.412 2.634 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(F)cc1C)C2 220306244 JADYRFGXGJSLOZ-WBVHZDCISA-N 332.419 2.536 0 50 EFAA COc1ccc(Cl)c(NC(=O)c2nnn(-c3ccccc3)c2N)c1 11693066 PGKZJCLCVXKHHI-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA CC(=O)NC(=S)Nc1cccc(C(=O)N(C)c2ccccc2)c1 12138786 XNGKSQREVYWDBW-UHFFFAOYSA-N 327.409 2.796 0 50 EFAA Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 13481899 BXTNNJIQILYHJB-GFCCVEGCSA-N 342.347 2.877 0 50 EFAA biogenic,in-vitro Cc1ccc(C2=NOC3(CCN(C(=O)c4ccco4)CC3)N2)cc1 169754988 ANHJLGCQFAGZTF-UHFFFAOYSA-N 325.368 2.502 0 50 EFAA O=C(O)c1n[nH]c2c1CN(c1nc3ccc(Cl)cc3s1)CC2 1857682791 SFFPWKYGGWSQNR-UHFFFAOYSA-N 334.788 2.934 0 50 EFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCc2nocc2C1 1857708425 TWJFHKKVPYVAFR-UHFFFAOYSA-N 326.331 2.711 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H](c2ccccc2)O1 1857726511 UZDALAVKVXWWLB-JKSUJKDBSA-N 332.444 2.657 0 50 EFAA Cn1cc2c(NCC3(c4ccc(F)cc4)CCOCC3)ncnc2n1 119118524 FZSUMKCLTKQJPA-UHFFFAOYSA-N 341.390 2.663 0 50 EFAA O=S(=O)(NC[C@@H]1CCCCC1(F)F)c1cccc2c1OCC2 331736787 VNFZARWDUSOHKJ-LBPRGKRZSA-N 331.384 2.725 0 50 EFAA O=C(NCCN1CCC2(CCCCC2)CC1)c1cc2n(n1)CCC2 333422109 MDAXAPWKLAAWNI-UHFFFAOYSA-N 330.476 2.605 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 238074682 UNNLMELPZIBLBM-SFHVURJKSA-N 343.858 2.559 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 348253377 DFSKCIRKLVIDAV-BZNIZROVSA-N 343.333 2.789 0 50 EFAA CNC(=O)NCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 253426028 LCXRGCLDOPYGBG-UHFFFAOYSA-N 342.226 2.538 0 50 EFAA O=C(CCc1ncccn1)N1CCN(c2ccc(F)cc2Cl)CC1 360396536 RPTCVIZIONXJML-UHFFFAOYSA-N 348.809 2.551 0 50 EFAA C[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 267307263 BJTFNXXHFMRHRW-INIZCTEOSA-N 345.487 2.727 0 50 EFAA O=C(O)c1cccnc1N1CCC[C@H]1c1nccc(C(F)(F)F)n1 900990417 NEJCBHVQNVQKMZ-JTQLQIEISA-N 338.289 2.930 0 50 EFAA O=C(O)CCN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704337260 PYKYVZLXNWFFMQ-HXUWFJFHSA-N 337.423 2.898 0 50 EFAA O=C(O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 911450491 CZMQISNMPIOODU-NWDGAFQWSA-N 333.281 2.827 0 50 EFAA 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CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cccc(C(=O)O)c1)CC2 635524905 CLKQQTWOVSKFIY-IRXDYDNUSA-N 345.443 2.542 0 50 EFAA C[S@](=O)c1ccc(NC(=O)NC[C@](C)(O)C2CCCCC2)cc1 192283039 JKLQAMOUYFDGMI-SBUREZEXSA-N 338.473 2.877 0 50 EFAA C[C@H]1CCCc2ncc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)n21 649977114 YFDIDPMDZJGHJY-QWHCGFSZSA-N 343.431 2.660 0 50 EFAA COc1cccc(C)c1NC(=O)NCCc1nnc2n1CCCCC2 195005496 UQDQSZWYULMESA-UHFFFAOYSA-N 343.431 2.686 0 50 EFAA CC12CC(CN1S(=O)(=O)c1cc(C(=O)O)cc(C(F)(F)F)c1)C2 663437309 LWKGHQVMJMVMPE-UHFFFAOYSA-N 349.330 2.577 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC[C@@H]1O 1704332165 QMMWSPBDORFDBP-AYOQOUSVSA-N 347.455 2.541 0 50 EFAA CSc1ccc2nc(N3CC[C@H](C(=O)O)[C@H](O)C3)cc(C)c2c1 1704307224 WEMXAPJKCIXUKC-SWLSCSKDSA-N 332.425 2.537 0 50 EFAA COc1ccc(-c2onc(N[C@@H]3CCC[C@H]3N(C)C)c2C(=O)O)cc1 1704307168 VBJHNGLLHAVCQY-ZIAGYGMSSA-N 345.399 2.943 0 50 EFAA C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12001992 XCXAPZCDJCETGS-ZIAGYGMSSA-N 336.457 2.765 0 50 EFAA COCCNC(=O)CCC1CCN([C@@H](C)COc2ccccc2)CC1 12708797 GWGHNSJHTRUGDZ-KRWDZBQOSA-N 348.487 2.709 0 50 EFAA Cc1cc(=O)c(C(=O)NCc2ccccn2)c(CC2CCCC2)n1C 15071362 AGDFVXPJENRLHR-UHFFFAOYSA-N 339.439 2.751 0 50 EFAA NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 19683219 DSWLGGDRRLHJSU-UHFFFAOYSA-N 338.436 2.536 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 222365318 UQTSJIHZBLQQSI-SPYBWZPUSA-N 337.423 2.682 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)CCC2 1857670269 DXMOXDBRRWQHHT-NSHDSACASA-N 338.333 2.950 0 50 EFAA Cc1cc2c(cn1)CN(C(=O)CCCc1nc(-c3ccncc3)no1)C2 1857680241 FIHGVOOJZFMATB-UHFFFAOYSA-N 349.394 2.700 0 50 EFAA Fc1cccc2ccc(-c3nccn3CCCN3CCOCC3)nc12 1857689591 HLXCDQVJIXATKB-UHFFFAOYSA-N 340.402 2.960 0 50 EFAA O=C(c1cc[nH]c1)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857741445 SSCJDAAIPVPYFP-ZWKOTPCHSA-N 340.423 2.902 0 50 EFAA Cc1sc2nc(SCC(N)=O)[nH]c(=O)c2c1-c1ccccc1 4386714 GHVWMSZEGJQGGK-UHFFFAOYSA-N 331.422 2.537 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]c(=N)n2)C[C@H](C2CC2)O1 1875244079 LPYBEZYNGZHYCE-RHSMWYFYSA-N 346.475 2.822 0 50 EFAA N=C(O)NCC(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 330682890 OJHFVXWGILTOJC-UHFFFAOYSA-N 344.242 2.857 0 50 EFAA CC1CCC(OCC(=O)Nc2c[nH]cc(Br)c2=O)CC1 334071520 JBOJGGMCZQOIRL-UHFFFAOYSA-N 343.221 2.671 0 50 EFAA CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@@](C)(O)CC2)c(C)n1 655041111 ZWJLEHHVIFRNNU-ORAYPTAESA-N 333.476 2.913 0 50 EFAA O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCC([C@H]2CCCO2)CC1 252584690 CEUYEDAGTFSOHA-PKOBYXMFSA-N 343.471 2.866 0 50 EFAA O=C1CC[C@@H](c2noc(-c3cccc4nc(C(F)F)[nH]c34)n2)CN1 901964407 IWNUYDSXBVLDOR-SSDOTTSWSA-N 333.298 2.544 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2ccc(F)cc12 12375154 JFDDRTXPQVHGQZ-UHFFFAOYSA-N 326.283 2.857 0 50 EFAA Cc1c(C(=O)N2CC[C@](O)(C(C)C)C2)cnn1-c1ccccc1F 2325770149 JMXFIJZNZWYELS-GOSISDBHSA-N 331.391 2.553 0 50 EFAA Cc1cnc(-c2noc(-c3cc(CC4CCNCC4)on3)n2)s1 2325773013 JITUIMIGTFXXEL-UHFFFAOYSA-N 331.401 2.699 0 50 EFAA Cc1ccc(-c2nc(CC(=O)N[C@H]3CCCN(C)CC3)cs2)o1 2325794490 DACXKIJRIFVVMV-ZDUSSCGKSA-N 333.457 2.855 0 50 EFAA CC1(C)[C@@H](N)C[C@H]1CC(=O)N1CCCN(Cc2ccccc2F)CC1 2325799636 MHIXOQBAXNNXAW-WMZOPIPTSA-N 347.478 2.624 0 50 EFAA CC[C@H](NC(=O)N[C@H]1CC[C@H](O)CC1)c1ccc2c(c1)OCCO2 245529777 GMFPTMSDEULWOD-KKUMJFAQSA-N 334.416 2.512 0 50 EFAA CC(=O)Oc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 318119 WLMPLRBZCFLWDN-UHFFFAOYSA-N 342.370 2.713 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F 614022 MPNOQAFFICIKPB-UHFFFAOYSA-N 330.290 2.590 0 50 EFAA c1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)nc1 1016515 KFIOYBNFHUYIDM-ZDUSSCGKSA-N 337.364 2.760 0 50 EFAA O=C(Nc1ccccc1Cl)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1050153 SNYKRLJKQASJLK-KBPBESRZSA-N 348.830 2.720 0 50 EFAA COc1cnccc1-c1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1 2356149680 PUKIAOFETBTYNG-UHFFFAOYSA-N 336.395 2.795 0 50 EFAA Cc1cc(N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)nc2ccc(F)cc12 2356161369 RYUMAOUVNPPUNN-ICSRJNTNSA-N 343.446 2.965 0 50 EFAA COc1cc(OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1Cl 6698811 GKAHNKIYDIQFAB-VHSXEESVSA-N 339.775 2.963 0 50 EFAA O=C(Cn1ccccc1=O)NCCc1nc(C2CCCCC2)cs1 111095222 AZUYDNWKQLYPKH-UHFFFAOYSA-N 345.468 2.711 0 50 EFAA COc1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 10314426 WTBPFAYKQOZNPI-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA C[C@@H](c1ccccc1Cl)N(C(=O)[C@H](C)S(C)(=O)=O)C1CC1 112786416 LDDSVYLRTUDMJO-QWRGUYRKSA-N 329.849 2.825 0 50 EFAA Cc1ccc(OCCN(C)C(=O)c2c[nH]c(=O)c(Cl)c2)c(C)c1 55401123 TZUSGTFWCGVVEJ-UHFFFAOYSA-N 334.803 2.796 0 50 EFAA CN(C(=O)CC[C@H]1CCOC1)[C@@H]1CCCN(Cc2ccccc2)C1 246575481 SUNWTHWARGQFCB-RBUKOAKNSA-N 330.472 2.926 0 50 EFAA Cc1nn2cc(CNC(=O)c3ccc([C@@H]4CCCN4)s3)nc2s1 20601363 FFQKVSNOVUVZPD-NSHDSACASA-N 347.469 2.515 0 50 EFAA Nc1nc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n[nH]1 22263755 WFSRKULSLDEILB-ZDUSSCGKSA-N 331.445 2.669 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2Cn2cccn2)cc1 248264337 YDJNKRDYWQJFDR-SZMVWBNQSA-N 325.412 2.686 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(C(=O)CCc2cn3ccccc3n2)C1 65370667 MWVVVIKJJLFDID-NRFANRHFSA-N 349.434 2.695 0 50 EFAA C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCCN(c2cccnn2)C1 136398736 OANMECLMRWZDDK-NVXWUHKLSA-N 326.444 2.762 0 50 EFAA NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229270767 VSQOBMJNXBQDGI-SJORKVTESA-N 330.815 2.940 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CN2Cc3ncccc3C2=O)n1 65384126 JZAGQSWPTNONAL-SNVBAGLBSA-N 338.333 2.897 0 50 EFAA Cc1ccc(NC(=O)COc2ccccc2S(C)(=O)=O)c(C)c1 253417649 FFBKAYXXBMPJKY-UHFFFAOYSA-N 333.409 2.724 0 50 EFAA Cc1cccc2c(=O)n([C@@H](C)c3nc(-c4cccnc4)no3)cnc12 32558417 RWLXMPDJRNYONR-LBPRGKRZSA-N 333.351 2.759 0 50 EFAA Cc1ccc2c(c1)CCN(C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C)C2 328605233 MRBXEQXDOJZOIK-HKUYNNGSSA-N 339.439 2.699 0 50 EFAA O=C(CSCC(=O)Nc1ccccc1)NC(=O)NC1CCCCC1 281731271 ASRHLTWPTYUUJR-UHFFFAOYSA-N 349.456 2.517 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(-c3nnc(S)o3)cc2)CC(C)(C)O1 126471075 IDYZBKGPNCPLSI-SNVBAGLBSA-N 333.413 2.665 0 50 EFAA CNc1nc(C)c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)s1 77485509 QBHLYGUSNSFKKV-UHFFFAOYSA-N 341.440 2.951 0 50 EFAA Cc1ccoc1C(=O)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72462747 IZNPODGKNWSFCM-UHFFFAOYSA-N 347.342 2.866 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)NCc2cccc(-c3ccccn3)c2)C1 152926085 HKCHMTABGZIKDA-SFHVURJKSA-N 337.423 2.623 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1c[nH]c(=O)c(Cl)c1 77487390 IMTDFOOMRNKGEX-CYBMUJFWSA-N 345.830 2.627 0 50 EFAA C[C@H]1CN(C2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)C[C@@H](C)O1 72409231 HECJBORWQPVESI-IYBDPMFKSA-N 347.503 2.957 0 50 EFAA CN1CC[C@@H](n2ccnc2-c2cccc(OCc3ccccn3)c2)C1=O 77375896 BIKURECNQDWNJS-GOSISDBHSA-N 348.406 2.927 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2csc(CN)n2)[C@H](C)CO1 237537480 SBIMZFHZAOCLIM-DOMZBBRYSA-N 331.441 2.512 0 50 EFAA Cc1cc(-n2cncn2)ccc1C(=O)NCCc1cc(F)cc(F)c1 173369041 IHZFUGBGEZHMPH-UHFFFAOYSA-N 342.349 2.826 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 219584058 IWHRERARODWKCE-HFLCMSJXSA-N 333.819 2.624 0 50 EFAA 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O=C(O)c1ccc(CC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 263301095 DFZYTPSGMBLHHM-KRWDZBQOSA-N 343.354 2.667 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 82121051 RDGAEGDRVWEZEB-CQSZACIVSA-N 335.411 2.756 0 50 EFAA CCc1nccn1CCCNC(=O)N1CC(Oc2cccc(C)c2)C1 426478146 ZZHTZGKGRWFHGS-UHFFFAOYSA-N 342.443 2.617 0 50 EFAA O=C1C[C@]2(CCN(C(=O)Nc3ccccc3-c3ccccc3)C2)C(=O)N1 82114997 WMVUHIOAIKKZFQ-FQEVSTJZSA-N 349.390 2.624 0 50 EFAA FC(F)(F)Cc1noc(-c2cccc(CN[C@@H]3CCOC3)c2)n1 289992938 XRGKDICWWKCVJM-GFCCVEGCSA-N 327.306 2.720 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cn1ccccc1=O 426534035 JMUQJEZJHLIFRH-OAHLLOKOSA-N 326.396 2.575 0 50 EFAA OCCN1CCN(C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 222726994 YAOINPOZZMLBID-OAQYLSRUSA-N 336.479 2.603 0 50 EFAA Cc1ccc(N2CCN(C(=O)COc3cccc(C)c3)CC2=O)cc1 82146680 QQJIENSOKKSHNC-UHFFFAOYSA-N 338.407 2.558 0 50 EFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 239038811 DYPXOYVSDXEMJY-LLDVTBCESA-N 347.798 2.580 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 237959413 PSYHOKWIJVZNJE-AWEZNQCLSA-N 342.395 2.988 0 50 EFAA CN(C)[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)c1cccc(F)c1 95374335 QGHQVHXERJPRES-SFHVURJKSA-N 344.434 2.737 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)ccc21 293438046 ITMJIVWCMZBESF-APHBMKBZSA-N 340.423 2.604 0 50 EFAA CN(Cc1cn(C)nc1C(C)(C)C)[C@H]1CCN(c2ccccc2)C1=O 180065528 YWIQIVAAYZDCLX-KRWDZBQOSA-N 340.471 2.955 0 50 EFAA O=C(NCCCc1ccccc1F)[C@H]1CCCN(C2CCOCC2)C1 95379706 YANFMLJSGYYLSR-KRWDZBQOSA-N 348.462 2.766 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 237511073 FBJOPNYGTKUYRF-QWHCGFSZSA-N 332.835 2.725 0 50 EFAA O=C(NC[C@@H]1COCCO1)c1sc2cccc(F)c2c1Cl 91551986 SRRJXNUWVUCORG-MRVPVSSYSA-N 329.780 2.839 0 50 EFAA Cc1ccc2nc(C(=O)NCc3csc(N4CCCC4)n3)cn2c1 97098836 GNKVUFQCEBWNSN-UHFFFAOYSA-N 341.440 2.629 0 50 EFAA Cc1ncsc1CCCNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 91519416 UWMFMYZFMFFNIE-ZDUSSCGKSA-N 347.415 2.765 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3ccon3)c(=O)[nH]2)cc1 92021311 OTNJAYMAXORLAM-GFCCVEGCSA-N 338.367 2.567 0 50 EFAA COc1ccc(F)cc1[C@@H](Nc1ccnc(C(=O)O)c1)[C@H]1C[C@@H](O)C1 244773988 PKCLHOVNKZCSMF-GDKCJGSASA-N 346.358 2.852 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)s1 244601952 DUZGIUKJHOIQBT-BFQNTYOBSA-N 330.409 2.588 0 50 EFAA COc1ncncc1NC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 296455954 ALAPXUROUWUAHM-CYBMUJFWSA-N 348.790 2.824 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C=C[C@H]3[C@@H]3CC[C@H]31)C2 248339534 SZQFFWZDORMEKT-UTOIFWBZSA-N 341.455 2.891 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c1 243957097 CFPAFCCYYBMPRY-KZNAEPCWSA-N 341.455 2.750 0 50 EFAA C[C@H](C(N)=O)n1cc(-c2cccc(C(=O)N3CCCCCC3)c2)cn1 534636934 AOLGSMAVWLHJCH-CQSZACIVSA-N 340.427 2.613 0 50 EFAA Cc1nn(CCCNC(=O)CSc2ccncc2)c(C)c1Cl 299793611 GSUKYQTWRSLHGE-UHFFFAOYSA-N 338.864 2.847 0 50 EFAA CCOc1ccc([C@H](CC)NS(=O)(=O)c2cnc(CC)[nH]2)cc1 823374738 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NOIBRVSQOBPLDD-SNVBAGLBSA-N 347.728 2.624 0 50 EFAA CCOCCN1C(=O)N[C@H]2c3cc(C)ccc3O[C@@]13CCSC[C@H]23 1776003662 CKTFPQADNUKIBE-UWWQBHOKSA-N 348.468 2.940 0 50 EFAA Cc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)cc1 1565526980 MNHFRYAEMQCUDH-ROUUACIJSA-N 340.423 2.675 0 50 EFAA Cc1cccc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1 1565516414 KZTMGBUYZJTNQG-FPOVZHCZSA-N 342.483 2.580 0 50 EFAA O=C(CC1(O)CCCCC1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 408044274 TYVHUEKAGPPJEI-CJNGLKHVSA-N 339.382 2.684 0 50 EFAA Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(C)o1 408520447 FJYGBOUUUMBTNE-LBPRGKRZSA-N 337.420 2.809 0 50 EFAA c1nc(N2CCN(CCc3cncs3)CC2)c2ccsc2n1 411322384 HZIQSTDOFIZDGJ-UHFFFAOYSA-N 331.470 2.513 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 273442082 DGHURYZSBKMWAC-ZDUSSCGKSA-N 325.368 2.716 0 50 EFAA O=C(N[C@@H]1CCSc2ccc(Br)cc21)c1c[nH]nn1 170591770 UAIBPZJCTWYRBE-SECBINFHSA-N 339.218 2.534 0 50 EFAA Cc1ccc(-c2cc(NC(=O)CCn3c(C)csc3=O)[nH]n2)o1 278944608 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CKLHBXNVRWRMPH-MSOLQXFVSA-N 339.439 2.914 0 50 EFAA C[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccc(Br)s1 237412381 JVEWFJLSUYUOAD-JGVFFNPUSA-N 332.219 2.547 0 50 EFAA CCc1nc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ncc1C 1704327823 HAUPTGRTYDVLRA-OXQOHEQNSA-N 348.450 2.935 0 50 EFAA COc1ccc(/C=C/CN2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1 1616076681 JTIYPTBOUVCVDH-SSRQLLPTSA-N 328.456 2.503 0 50 EFAA C[C@@H]1C[C@H](NCc2nnc3ccccn23)CN(Cc2ccccc2)C1 136892898 AEEXITJTXLTQPL-AEFFLSMTSA-N 335.455 2.730 0 50 EFAA CN(Cc1cnc(C(=O)O)cn1)C[C@@]1(c2ccccc2)CC1(C)C 1772709727 LNJSDJBMBKVNGR-LJQANCHMSA-N 325.412 2.975 0 50 EFAA Cc1nc(-c2ccc(CN3CCCCC3)cc2)n(-c2cnn(C)c2)n1 1772815552 VLVCINRSYBPUKW-UHFFFAOYSA-N 336.443 2.962 0 50 EFAA CSCCNC(=O)c1cc(COc2ccc(F)c(F)c2)on1 12704380 JVQYRTUCFLAUBR-UHFFFAOYSA-N 328.340 2.625 0 50 EFAA COc1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)c(OC)c1 11690386 IUIBWDUXFRBWMC-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1CCCCCCC1 16049071 ZODOGBDDFUHFOQ-HOTGVXAUSA-N 332.444 2.557 0 50 EFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccc(C)o1)CC2 19837188 RYKJNYCDCQXSQG-UHFFFAOYSA-N 343.427 2.930 0 50 EFAA O=c1c2cnc3ncnn3c2ccn1-c1ccc(Cl)cc1Cl 19960565 WSLCSZHYHJLMCN-UHFFFAOYSA-N 332.150 2.735 0 50 EFAA CO[C@@H]1CCC[C@H](c2nc(-c3ccsc3S(C)(=O)=O)no2)C1 1857528090 CVHONVIQTOWDJI-VHSXEESVSA-N 342.442 2.874 0 50 EFAA COc1c(C)cnc(CN2CCc3[nH]nc(C4CC4)c3CC2)c1C 1857667755 DPFOHMJSCQMDEF-UHFFFAOYSA-N 326.444 2.908 0 50 EFAA CC1CC(C(=O)NC[C@@H]2CCN(C)C(=O)C2)(c2cccc(Cl)c2)C1 424962559 WXGNQQASFJBBBV-SHYRYGCCSA-N 348.874 2.992 0 50 EFAA COc1ccc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)oc2c1 241634565 PNLWNFBKUZGMQD-UHFFFAOYSA-N 332.743 2.895 0 50 EFAA CN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C2(CCCCC2)C1 157762495 FQCBZEWYLDKOQI-UHFFFAOYSA-N 342.365 2.586 0 50 EFAA C[C@H]1Cc2cc(C(=O)NC[C@H](C(=O)O)c3ccc(F)cc3)ccc2O1 851604705 DPADOLHATQRIGL-ZBEGNZNMSA-N 343.354 2.747 0 50 EFAA CC(C)=CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 408517410 IAKPHMXVQRYPOQ-DTWKUNHWSA-N 346.271 2.553 0 50 EFAA O=C(c1ncccc1Br)N1CCCC[C@@H]1c1cc[nH]n1 329270472 HDEYLFYYYNWKHW-GFCCVEGCSA-N 335.205 2.935 0 50 EFAA Clc1ccnc2c1CCC[C@H]2Sc1nnnn1[C@H]1CCOC1 2325772673 NXXOKJNGELXFRR-JOYOIKCWSA-N 337.836 2.853 0 50 EFAA CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc(F)ccc2F)CC1 2325783047 VQQVDYOMJFYOPO-KRWDZBQOSA-N 336.382 2.887 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)C(F)F)c(C)c1CC(=O)O 2325792517 MBZOBFJJYYIAGG-LLVKDONJSA-N 349.399 2.513 0 50 EFAA CC(C)Cc1n[nH]c2ccc(C(=O)O[C@@H](C)CN3CCOCC3)cc12 2325840149 RAZVSAMKYZWIFL-AWEZNQCLSA-N 345.443 2.639 0 50 EFAA Cc1cn2c(n1)C[C@H](C(=O)N(C)Cc1ccn(-c3ccccc3)n1)CC2 858645930 CRUUHWYJXASSCL-MRXNPFEDSA-N 349.438 2.598 0 50 EFAA COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C 135453 LZJRNLRASBVRRX-CYBMUJFWSA-N 327.380 2.867 0 50 EFAA endogenous,in-man COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 384609 GCXWWERXFCYZPR-UHFFFAOYSA-N 340.489 2.591 0 50 EFAA COc1ccc(C=O)cc1OC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 2886532 PISQLNYSNWNRAI-LJQANCHMSA-N 340.331 2.585 0 50 EFAA COc1cccc2c1C1(CCN(CC3CCOCC3)CC1)OCC2 2356158056 BSKHFRDJPHDXKV-UHFFFAOYSA-N 331.456 2.986 0 50 EFAA O=C(c1cccs1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 4487743 BVRQSUGBNHUOOV-CYBMUJFWSA-N 341.314 2.644 0 50 EFAA Nc1nccc([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 225415622 VIIUYDKQHIDYLG-HNNXBMFYSA-N 334.427 2.829 0 50 EFAA Cc1ccsc1CNc1cccc(C(=O)N2CCC[C@H]2C(N)=O)c1 55254819 VBUIFNRXOFTIMQ-HNNXBMFYSA-N 343.452 2.759 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O 247225714 TUZHDGUSOUKAKD-NXOUGTEYSA-N 328.387 2.714 0 50 EFAA COc1cccc(C2(CNC(=O)N3CCC[C@@H](CCO)CC3)CC2)c1 422200381 JPAHFEZGSSKBFL-MRXNPFEDSA-N 346.471 2.921 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CSc2ccccc2O1 248087864 BRUSUZJWGWSFAD-IIAWOOMASA-N 332.469 2.625 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ncccc1C(=O)O 65435471 WQAVESZSMVJCLD-UHFFFAOYSA-N 340.358 2.737 0 50 EFAA COc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CCOC1 63848761 DKUBAFFKHAPZJY-KRWDZBQOSA-N 326.396 2.656 0 50 EFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@@H](c2ncc[nH]2)C1 77470559 SWIFJTGEHHTCQK-CYBMUJFWSA-N 339.374 2.959 0 50 EFAA Cc1csc(NC(=O)C(=O)N(C)[C@@H](C)c2nc(C)sc2C)n1 67770261 JLEKFXJPWDLCRX-QMMMGPOBSA-N 338.458 2.683 0 50 EFAA CCCC(=O)NCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 67688381 ZXLBWAFCPHFQOE-UHFFFAOYSA-N 326.872 2.510 0 50 EFAA Cc1ccc(CN2CCN(C/C=C/c3ccco3)C[C@@H]2CCO)o1 23375009 VIZMSSQKZKWAMN-WVMJFEGXSA-N 330.428 2.763 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nncn2-c2ccccc2)C1 281565105 CZDZDUZVONPWHJ-ZWKOTPCHSA-N 338.386 2.714 0 50 EFAA CC1(C)[C@H](NC(=O)c2ccc(-c3nnc(S)o3)cc2)[C@@H]2CCO[C@H]21 230238892 JYBQCNVQCIUTSA-YNEHKIRRSA-N 345.424 2.569 0 50 EFAA Nc1cc(NCc2cccnc2N2CCc3ccccc3C2)ncn1 67742245 SQVKOXRXSXXAIG-UHFFFAOYSA-N 332.411 2.629 0 50 EFAA CCOC(=O)CCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 72164378 FAJUGUBEXFUGMS-OAHLLOKOSA-N 344.415 2.671 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)N1CCCCC[C@H]1c1cccn1C 121930806 UCZREWQPRIGFNF-KRWDZBQOSA-N 344.459 2.898 0 50 EFAA CN(Cc1cnc2ccccc2n1)C(=O)Cc1ccc2c(c1)OCO2 219977210 QZLFQXBGVQVPDH-UHFFFAOYSA-N 335.363 2.560 0 50 EFAA Cc1noc([C@@H]2CCN([C@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)n1 329055100 SGZHZLOVEHRBKG-UKRRQHHQSA-N 328.416 2.811 0 50 EFAA O=C1[C@@H](N2CCC(c3cnc[nH]3)CC2)CCN1c1ccccc1F 360021844 OGYFOEXYVIRQNF-KRWDZBQOSA-N 328.391 2.534 0 50 EFAA CC(C)[C@H](NC1CCOCC1)C(=O)N1CC(Cc2ccccc2F)C1 364830085 IUPRIEGYRKOZFH-IBGZPJMESA-N 348.462 2.620 0 50 EFAA Cc1ccc(N2CC[C@H](Oc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 126097686 WTGAHCISTQEBET-KRWDZBQOSA-N 345.420 2.583 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccnc(N)c2)C1 332320175 NMTMQCKMIZHJNE-LBPRGKRZSA-N 339.365 2.796 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)n1 72453894 BCYPJSQBCHRYQY-GOSISDBHSA-N 349.438 2.559 0 50 EFAA C[C@H]1COCCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 371366410 LSIFDDMLTFGYFS-CQSZACIVSA-N 336.395 2.529 0 50 EFAA O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cc(C2CC2)on1 241720828 QSOCNCTYHNLSLY-CQSZACIVSA-N 331.416 2.606 0 50 EFAA O=C(Nc1cc2c(cc1Cl)OCCO2)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333855295 QHLKTCJKWCRADG-DUBDDPSESA-N 348.786 2.528 0 50 EFAA CCN(c1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1)C(C)C 239352423 ACCJALCECMETDM-GDBMZVCRSA-N 331.460 2.647 0 50 EFAA COCCC[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 77459404 GHMKZGIDDFWORZ-QGZVFWFLSA-N 340.489 2.644 0 50 EFAA C[C@H](NC(=O)N(Cc1c(F)cccc1Cl)C1CC1)C(=O)N(C)C 73718801 DWDFVZSDUZJBTR-JTQLQIEISA-N 341.814 2.630 0 50 EFAA CCOc1cc2c(cc1CNc1ccnc(C(N)=O)c1)O[C@H](C)C2 131198826 DWFQZEBLXYEBDV-LLVKDONJSA-N 327.384 2.515 0 50 EFAA CC(=O)c1ccccc1C(=O)NCC(=O)N1CCCc2ccccc21 174262479 GSYBWHOOWZTUCV-UHFFFAOYSA-N 336.391 2.598 0 50 EFAA O=C(O)CCN(C(=O)C/C=C/c1ccc(F)cc1)C1CCOCC1 238060962 NEBLFLOPVUOUST-OWOJBTEDSA-N 335.375 2.711 0 50 EFAA O=C(Nc1ccc(-c2nncs2)cc1)NC1CCC(C(=O)O)CC1 263033333 KTNRACYXYPVHEV-UHFFFAOYSA-N 346.412 2.970 0 50 EFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCCn2cccn2)C1 77456964 LSZFTQFIBWYILZ-SFHVURJKSA-N 339.439 2.714 0 50 EFAA C[C@@H](C(=O)Oc1cccc(-c2ncc(N)cn2)c1)C1CCOCC1 241316907 LVXNAECJICJZBO-GFCCVEGCSA-N 327.384 2.694 0 50 EFAA COc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cc1O 223878202 LUXBGWWJEOSRKK-LIRZEXBASA-N 331.412 2.724 0 50 EFAA Cc1ccc(CCC(=O)N2CCC(O)(CN3CCCC3)CC2)cc1C 220118523 KZYIEUKFIQZVDX-UHFFFAOYSA-N 344.499 2.685 0 50 EFAA CCC1(CNC(=O)N2CCCN(C(=O)c3ccco3)CC2)CCC1 84165928 LDGHJHBEZGVFGG-UHFFFAOYSA-N 333.432 2.717 0 50 EFAA O=C(Cn1ccccc1=O)NCC1(c2ccccc2F)CCCC1 426623369 VHWLFXIQAFPUBK-UHFFFAOYSA-N 328.387 2.616 0 50 EFAA CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1 91254385 GFGPVUWAWGNVNL-WOJBJXKFSA-N 344.499 2.976 0 50 EFAA COCCc1nc(C2(Cn3ccnc3)CC2)n(C2CCCCC2)n1 96151496 DMBPZYCCFQANGI-UHFFFAOYSA-N 329.448 2.901 0 50 EFAA Cc1cnc(CN(C)[C@H](C(=O)O)c2c(F)cccc2OC(C)C)[nH]1 95390360 OLCBEBVMBGGCDS-INIZCTEOSA-N 335.379 2.902 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91860310 DPFYOSGQWHTARH-LJQANCHMSA-N 339.435 2.908 0 50 EFAA O=C(NCCCc1ccccn1)C1CCN(C(=O)C2CCCC2)CC1 91745242 SAYTTWCIZAAACY-UHFFFAOYSA-N 343.471 2.559 0 50 EFAA CCOc1ncccc1CNC(=O)[C@H](c1ccccc1F)N(C)C 95363606 HTALAJWFSMPYOH-INIZCTEOSA-N 331.391 2.539 0 50 EFAA O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CCC(O)CC1 95359166 GMXMJPAPDKBUNU-UHFFFAOYSA-N 339.370 2.737 0 50 EFAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCOC2)cc1 97696306 WPXFVCSTIJOELP-INIZCTEOSA-N 326.396 2.656 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN2CCC(=O)NCc2cccc(Cl)c2)n1 244900264 ZYUROGVJVYATKZ-HNNXBMFYSA-N 347.850 2.610 0 50 EFAA O=C(O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 247338204 AADVZSXPNRLYLV-APNNBJDVSA-N 340.423 2.559 0 50 EFAA Cc1oc2c(c1C(=O)NCCCn1cc(Cl)cn1)C(=O)CCC2 244794530 QONQHGOOFAYYNN-UHFFFAOYSA-N 335.791 2.777 0 50 EFAA COCCN(CCOC)C(=O)NCc1cccc(Cl)c1Cl 521888840 FODKOKKJGZHTDG-UHFFFAOYSA-N 335.231 2.798 0 50 EFAA CNC1CCN(C(=O)c2ccccc2-c2nc(C(C)C)no2)CC1 299738620 CWRFVANMIZBOHG-UHFFFAOYSA-N 328.416 2.684 0 50 EFAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F 299749246 JQKSLKUNJZRMQO-INIZCTEOSA-N 347.317 2.557 0 50 EFAA Cc1cc([C@@H]2CCCN([C@H](C)C(=O)NCCc3cccs3)C2)n[nH]1 299753963 AWKMZQWRVCBSJI-HUUCEWRRSA-N 346.500 2.706 0 50 EFAA C[C@@H](CNC(=O)N(C)Cc1cnc2ccccc2c1)N1CCCC1 534588854 GYFCRUAODQHXGZ-HNNXBMFYSA-N 326.444 2.861 0 50 EFAA COc1ccc2c(C)c(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N)oc2c1OC 299799933 XREWYCMNYRBNBH-JYAVWHMHSA-N 344.411 2.568 0 50 EFAA Cc1nnc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)s1 299802795 PYUQTPHDNNKSCL-KRWDZBQOSA-N 328.485 2.522 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H](C)Cn2cncn2)c2ccccc12 824645557 UZQPKDLYOSNPQU-AWEZNQCLSA-N 338.411 2.735 0 50 EFAA Cc1ccc(NC(=O)CCNC(=O)c2onc3c2CCCC3)c(C)c1 670472139 XPAZVWGGURWDMN-UHFFFAOYSA-N 341.411 2.929 0 50 EFAA CCN([C@@H]1CCCNCC1)S(=O)(=O)c1ccc(C)cc1Cl 864094206 JTVSEABJQKTHQI-CYBMUJFWSA-N 330.881 2.801 0 50 EFAA Cc1cc(C(=O)N(C)c2ncc(Br)s2)c(C)nn1 1875276183 ARCSHOHLQFRTGW-UHFFFAOYSA-N 327.207 2.589 0 50 EFAA COc1ccc(F)c(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)c1 1875282542 IUYQTZNJPHZGMH-OAHLLOKOSA-N 331.347 2.660 0 50 EFAA CCc1cc(Cl)cnc1NS(=O)(=O)c1cc(OC)ns1 1875279871 JGXRHNMKUDCWRG-UHFFFAOYSA-N 333.822 2.563 0 50 EFAA Cn1cc(CNc2ccc3[nH]nc(C(=O)O)c3c2)c(-c2cccnc2)n1 1875300067 JURNDIALCSOEIM-UHFFFAOYSA-N 348.366 2.669 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC2([C@@H]3CCCCO3)CC2)cc1 1875373581 GUSVFRLYUWWDBM-INIZCTEOSA-N 328.412 2.667 0 50 EFAA C[C@H]1CN(c2nc(C(=O)Nc3cccc(F)c3)cs2)C[C@@H](C)N1 1875324770 ABCMWAOUGUKQLQ-PHIMTYICSA-N 334.420 2.721 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@H](c2nccn2C)C2CC2)cn1 886080450 SNOKGVANCWMBSN-RYQLBKOJSA-N 343.475 2.845 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCCCc2nc3ccccc3s2)C1 269202036 RSODBTWXQPIXBY-GFCCVEGCSA-N 332.425 2.942 0 50 EFAA CCC(CC)C(=O)N(CCO)Cc1cncc(Br)c1 1775994206 YIPRWEISPKSUEV-UHFFFAOYSA-N 329.238 2.601 0 50 EFAA CC(C)NC(=O)CCN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 247942513 DDCMHOWKZSMBCO-PMACEKPBSA-N 343.515 2.888 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cs1 1565527893 MGUUGHBESGGIST-ZBFHGGJFSA-N 344.484 2.825 0 50 EFAA O=C(N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cnco1 1363678285 ATLYRMYINIABEB-IKGGRYGDSA-N 325.412 2.705 0 50 EFAA Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)c1Cl 408490279 AAPDPJUQNDGLHR-ZCFIWIBFSA-N 344.166 2.762 0 50 EFAA CC(C)(C)C1=CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 270225304 IJYAYROSMGDQAG-HNNXBMFYSA-N 330.476 2.868 0 50 EFAA COCCOc1ccc(NC(=O)[C@H]2CSCCS2)cc1F 169962606 VXRILGPHCFMMEE-CYBMUJFWSA-N 331.434 2.638 0 50 EFAA Cc1oc2ccccc2c1CNC(=O)Cn1ncc(=O)c2ccccc21 170596872 KHHDSGJQVFIPSI-UHFFFAOYSA-N 347.374 2.768 0 50 EFAA Cc1nc(CO[C@H]2CCN(C(=O)CC[C@H]3CCCCO3)C2)cs1 170599092 TZPSMYYLANRWCD-CVEARBPZSA-N 338.473 2.918 0 50 EFAA Cc1ccnc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 170663933 CPUUPMSXLXPRHK-UHFFFAOYSA-N 333.457 2.830 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)CC3OCCCO3)[C@H](C)CO2)c1 189133824 QXFIBCGLBAKMQJ-WBVHZDCISA-N 333.428 2.745 0 50 EFAA CC[C@]1(CO)CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 189617693 VFNBCATXXGZIOV-MRXNPFEDSA-N 338.814 2.797 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)c2cc3sccc3[nH]2)C12CCOCC2 192213928 SNEMZXLTKNXKSV-CABCVRRESA-N 334.441 2.933 0 50 EFAA Cc1c(NC(=O)[C@@H]2CCCO[C@H]2C)nnn1Cc1ccccc1F 192382326 BVFPHWVDPRLACB-GXTWGEPZSA-N 332.379 2.528 0 50 EFAA CCN(CC)C(=O)c1ccc(NC2CCN(C(=O)N(C)C)CC2)cc1 192614323 ZNECCNJDOWVKKG-UHFFFAOYSA-N 346.475 2.727 0 50 EFAA O=C(CC1OCCCO1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 193552347 ZZKPKAHVPDZEMH-CABCVRRESA-N 337.416 2.627 0 50 EFAA CN(Cc1nc(C(F)(F)F)cs1)[C@@H](C(=O)O)c1cccnc1 652433020 MUMCWCXDSYWPLU-LLVKDONJSA-N 331.319 2.815 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1n1cccn1 195327254 AEUXVEJUJXEZER-HUUCEWRRSA-N 349.456 2.662 0 50 EFAA CN1CCN(CC2(CN[C@H]3CC4C[C@H]5CC3C[C@@H](C4)C5)CC2)CC1 1506407814 QGIQOZDPELQUPA-SPPIJZGPSA-N 331.548 2.818 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(F)c(Cl)c1 1704315385 BMVUCKWPWAIMNK-UHFFFAOYSA-N 338.814 2.715 0 50 EFAA COc1cc2c(cc1OC)C1(CCN(C[C@@H]3CCOC3)CC1)OCC2 1704297399 QAMWOCNUSGPZQX-HNNXBMFYSA-N 347.455 2.604 0 50 EFAA Cc1c(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)cnn1-c1ccccn1 209996291 DQXISHASTFAMAA-ZOBUZTSGSA-N 334.423 2.908 0 50 EFAA COCCNC(=O)[C@H](C)Sc1cc(Br)ccc1OC 225442376 PCOJXLKJFGWCTC-VIFPVBQESA-N 348.262 2.701 0 50 EFAA O=C(NCCC1CCCCCC1)c1cc(CN2CCC[C@H](O)C2)on1 11839350 JAMRPLLGBHXVRQ-INIZCTEOSA-N 349.475 2.722 0 50 EFAA O=C(NCc1cccnc1-n1cnc2ccccc21)[C@@H]1CCCCO1 12445042 WQKREEDRHDFZSY-KRWDZBQOSA-N 336.395 2.606 0 50 EFAA CSCC(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12582216 WYCXLIMFAXZMBG-INIZCTEOSA-N 327.877 2.847 0 50 EFAA O=C(Cc1cccs1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12763472 VZXIPJDLEWUQSF-MRXNPFEDSA-N 342.464 2.641 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2nnnc2N1 13125259 XVAOPEWSEGSXRG-CQSZACIVSA-N 338.396 2.662 0 50 EFAA CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1C 14229662 DUFGKGBJLUNENA-UHFFFAOYSA-N 335.473 2.957 0 50 EFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C[C@@H]2CCOC2)CC1 19731058 YUXYONMCUSCGKB-HNNXBMFYSA-N 334.464 2.541 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@]3(c3nnc(C4CC4)o3)C2)o1 1857531941 ZZTWPTQMVRLUIV-SCLBCKFNSA-N 342.399 2.746 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1cc(Cl)no1 1857679348 IIDUUCVTTDASGJ-ZVWUFJHRSA-N 326.780 2.505 0 50 EFAA CCOC(=O)c1cccnc1N1CCN(c2ccc(F)cn2)[C@H](C)C1 1857681813 OMVMOASIQSQYAD-CYBMUJFWSA-N 344.390 2.508 0 50 EFAA CCCc1cnc(C)nc1N1CCN(c2ccc(F)cn2)[C@H](C)C1 1857683147 WQWQSJHVQSFSFB-CYBMUJFWSA-N 329.423 2.987 0 50 EFAA CCCN1C[C@@H](C(=O)O)C2(CCN(Cc3ccccc3OC)CC2)C1 1857704034 AQSDOSZEYXYUQY-KRWDZBQOSA-N 346.471 2.704 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2cnc3cccnn23)C[C@H](C(C)C)O1 1857718875 XTDDSANRMGIXQU-GDBMZVCRSA-N 330.432 2.785 0 50 EFAA CCCOc1cccc(CCNS(=O)(=O)N2CCCC[C@H]2C)c1 331198411 OQFUJNLQFJTQEG-OAHLLOKOSA-N 340.489 2.727 0 50 EFAA Cc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1C(=O)O 236769080 IHFXIBRCFVWKAA-UHFFFAOYSA-N 332.400 2.526 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 237970113 KBSOKJXGVXNCLQ-AWEZNQCLSA-N 344.411 2.530 0 50 EFAA COc1cc(C)c(S(=O)(=O)NCc2sc(C)nc2C)cc1C 266239541 VWRKXHGBGHXDTN-UHFFFAOYSA-N 340.470 2.864 0 50 EFAA CCn1c(=O)c(NCCn2c(O)nc3ccccc32)nc2ccccc21 1655228411 TYGNVVHZVIEELC-UHFFFAOYSA-N 349.394 2.584 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc4ccccc4n3)C[C@@H]12 1704302134 DWXWFZFXIRKLCF-WOJBJXKFSA-N 325.456 2.513 0 50 EFAA CCCn1ccc2ccc(NC(=O)CN3CCC[C@H](C(=O)O)C3)cc21 911416243 YMMGHTXWQYFWCN-HNNXBMFYSA-N 343.427 2.786 0 50 EFAA Cn1nc(CNC(=O)NCc2cccc(F)c2F)c2ccccc21 1233891054 LRWUVRDHWRHMAF-UHFFFAOYSA-N 330.338 2.851 0 50 EFAA CCOc1cccc(CN2CCOC[C@H]2c2ccc(COC)o2)n1 932328312 ITIIPFQNMSBSGL-INIZCTEOSA-N 332.400 2.793 0 50 EFAA CCN(C(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2)c1ccccc1 459976 DTYANKZKMZCOQN-DNVCBOLYSA-N 331.412 2.930 0 50 EFAA biogenic Cn1c(-c2ccccc2)c(C(=O)C(=O)N2CCOCC2)c2ccccc21 4418053 ZBPMWMQYQVAZAB-UHFFFAOYSA-N 348.402 2.887 0 50 EFAA O=C(N=c1[nH]n(CC2CC2)c2ccccc12)c1onc2ncccc12 2100547327 FWYZSKROAUNMGD-UHFFFAOYSA-N 333.351 2.657 0 50 EFAA C[C@@H](CC(=O)N1CCc2[nH]ccc(=O)c2C1)c1ccc(F)c(F)c1 2325803206 XGZPNQADRJZACC-NSHDSACASA-N 332.350 2.732 0 50 EFAA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 98329 MLDHOTDJUUHWDH-UHFFFAOYSA-N 339.420 2.976 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 176273 DIPYKFHAIZSMGP-QGZVFWFLSA-N 344.455 2.779 0 50 EFAA CC(C)CC1=NN(C(=O)c2ccc(O)cc2)[C@](O)(C(F)(F)F)C1 279556 LVYSLQPUOCCFIA-CQSZACIVSA-N 330.306 2.891 0 50 EFAA O=C(c1ccco1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 306206 OCFSLAGUOLKPSA-UHFFFAOYSA-N 333.388 2.574 0 50 EFAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC 355230 AHSWSYRTYOHLID-MRXNPFEDSA-N 348.399 2.673 0 50 EFAA CCOC(=O)c1nc2cc(OC)c(OC)cc2nc1N1CCCCC1 406530 WELPOUNMEHMYGD-UHFFFAOYSA-N 345.399 2.814 0 50 EFAA CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 469899 INAWNYQJGRFFRQ-OAHLLOKOSA-N 334.441 2.830 0 50 EFAA c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)nc1 1016501 VNOCQDVUEVAFDS-UHFFFAOYSA-N 333.380 2.646 0 50 EFAA COc1ccc(N(Cc2ccc3ccccc3n2)S(C)(=O)=O)cn1 2356144619 GJMDROMPURQGFG-UHFFFAOYSA-N 343.408 2.605 0 50 EFAA Cc1ccnn1CCC(=O)N1CCC2(CC1)OCCc1sccc12 2356149369 WVPDIMHOBGQYSA-UHFFFAOYSA-N 345.468 2.734 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2cccc(F)c2)CC1 4241741 PPGHGFHJSQSOJP-AWEZNQCLSA-N 338.379 2.504 0 50 EFAA O=C(Nc1ccc(Br)cc1F)C(=O)N1CCCCC1 4419044 JBUUHJUABDBSTF-UHFFFAOYSA-N 329.169 2.539 0 50 EFAA CN(C)S(=O)(=O)CCCN(Cc1c(F)cccc1Cl)C1CC1 57871767 SFPFVDAUZQDULF-UHFFFAOYSA-N 348.871 2.725 0 50 EFAA CN1CC[C@@H](Nc2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccccc1 225599586 JBEYUGZIMHFNJV-MSOLQXFVSA-N 330.453 2.947 0 50 EFAA CCOc1ccc(Br)cc1S(=O)(=O)n1cnc(C)c1 9062002 NDMUBQOPVJXBHS-UHFFFAOYSA-N 345.218 2.590 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1c(C)nc2ccccn12 55198322 UMXBOSJAKGKHQP-CQSZACIVSA-N 327.384 2.649 0 50 EFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cc3ccncc3)cc1)[C@H]1C=C[C@H]2C1 100967225 RWUJKUKQJZJHGW-CAMMJAKZSA-N 330.387 2.984 0 50 EFAA CCOCCCNS(=O)(=O)c1cc(C(C)C)c(C)cc1OC 170623991 GWHRWSQBYRQICY-UHFFFAOYSA-N 329.462 2.832 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C 425034710 GXMKTJLOVJGOIG-MEDUHNTESA-N 335.448 2.538 0 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Cc1cc(O)c(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cn1 282055761 CZHKEWMUMVFEJB-GOSISDBHSA-N 346.814 2.881 0 50 EFAA Cn1nccc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 2786317 BOOSQVKTKNVMBV-UHFFFAOYSA-N 349.316 2.936 0 50 EFAA Cc1ncoc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 329158475 CVOKVONJDSOWGA-FZKQIMNGSA-N 342.399 2.512 0 50 EFAA CCNC(=O)N1CCC(N(CCCC2CCCC2)CC(=O)O)CC1 435653975 IFTBXMXXWMCUGT-UHFFFAOYSA-N 339.480 2.537 0 50 EFAA Fc1ccccc1-c1cc(NCCCn2ccnn2)n2nccc2n1 72472967 APNOPLPXIKQGLT-UHFFFAOYSA-N 337.362 2.629 0 50 EFAA CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1nc(C)c[nH]1 77358186 SKDMFOKTCGKFRG-CQSZACIVSA-N 339.399 2.968 0 50 EFAA O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](Cc2ccccc2)C1 125891058 HMDRQHUOALLDEP-QGZVFWFLSA-N 332.407 2.972 0 50 EFAA Cc1occc1-c1cc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)no1 366749555 FLNOCNFUQIHUNK-GXTWGEPZSA-N 331.372 3.322 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CC[C@H](Oc2ccc(F)cc2)C1 368174806 SPGRHSIZNQUSQJ-INIZCTEOSA-N 339.370 2.924 0 50 EFAA C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)CC1CCOCC1 173045739 RTYOMDCTUREEEC-LLVKDONJSA-N 333.400 2.714 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(OC)cc1 72146618 WUWDWCYMGHDKST-HNNXBMFYSA-N 334.416 2.713 0 50 EFAA Cc1nn(C)c2ncc([C@H]3NC(C)(C)C(=O)N3CC3CCCC3)cc12 333938052 MARAQXAHMTXAQE-INIZCTEOSA-N 341.459 2.676 0 50 EFAA CCOc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 39363071 CLJFVVIZCSBXGI-LJQANCHMSA-N 332.488 2.897 0 50 EFAA O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1 72167836 RPFZOTMKMHTSHC-MRXNPFEDSA-N 338.473 2.520 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262339482 CFNNBPAOBDGOTA-NSHDSACASA-N 342.317 2.736 0 50 EFAA CCn1ccnc1CN(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72407738 CRWGFZVBEZWZJQ-UHFFFAOYSA-N 329.444 2.879 0 50 EFAA O=C(CN1CCO[C@@H]2CCC[C@@H]21)N1CCC(Cc2ccccc2)CC1 341207437 YBUOJZZWWMJMII-VQTJNVASSA-N 342.483 2.721 0 50 EFAA Cc1ncc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccccc2)c(C)n1 376653965 BKXIWRHBLPWTQP-IEBWSBKVSA-N 338.455 2.906 0 50 EFAA Cc1cccc(CCNC(=O)c2cccc(N3CCNC3=O)c2C)c1 173375195 UVJSABCENSIGIB-UHFFFAOYSA-N 337.423 2.806 0 50 EFAA Cc1ncc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(=O)[nH]1 77376687 ANPIGIMMJCTZCV-INIZCTEOSA-N 329.375 2.514 0 50 EFAA CSc1cccc(F)c1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 240886227 INYBSXZAVHXPHK-BZNIZROVSA-N 325.405 2.568 0 50 EFAA CC(C)n1cc([C@@H]2CN(c3nc4ccccc4o3)C[C@H]2CO)cn1 284563329 MJAIADYHHPPRLD-GJZGRUSLSA-N 326.400 2.818 0 50 EFAA CCc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)nc(C)n1 174206815 PDXOIIGCSUIQAX-HUUCEWRRSA-N 339.395 2.861 0 50 EFAA C[C@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 285245145 UKALAFZOKOZUKS-ZCFIWIBFSA-N 345.726 2.500 0 50 EFAA COCCN(Cc1ccc(C)s1)C(=O)NC[C@]1(C)CCN(C)C1 426589943 HAGPPZJTOZNSGY-KRWDZBQOSA-N 339.505 2.556 0 50 EFAA Cn1ccnc1-c1cccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 426613636 NGUGGRXYTYIOJP-INIZCTEOSA-N 349.438 2.836 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)c1cccc2c1NCCC2)C1CC1 426414340 KTUNKRZVYZEALP-INIZCTEOSA-N 325.416 2.537 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 178978908 SSIBFSDACHPAHF-NILFDRSVSA-N 326.362 2.877 0 50 EFAA CC(=O)c1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cs1 230558543 QWNQQYBVBCXVES-GOSISDBHSA-N 345.468 2.997 0 50 EFAA CC(C)c1cc(CN2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)no1 96141934 BYWRDUJUAJBCGH-AUUYWEPGSA-N 347.459 2.559 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1COc2ccccc2C1 95512025 WLAMWAXZUVABHE-MRXNPFEDSA-N 349.390 2.946 0 50 EFAA COCCN(CC(=O)O)C(=O)c1ccc(-c2ccccc2Cl)o1 237068048 LPTKVFISFDBWOP-UHFFFAOYSA-N 337.759 2.773 0 50 EFAA O=C(NCCN1CCOC1=O)c1sc2cccc(F)c2c1Cl 91830674 HNSCNXKMVBSUNK-UHFFFAOYSA-N 342.779 2.876 0 50 EFAA CN(C)c1ccc(CCNC(=O)[C@@H]2CCCN3CCCC[C@H]23)cc1 97757991 VYPHXPKKOQGZKU-RTBURBONSA-N 329.488 2.676 0 50 EFAA Cc1nc(C)c(C)c(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1 92077038 RWLVZSCTGQAZCI-UHFFFAOYSA-N 328.460 2.773 0 50 EFAA C[C@](O)(CN1CCC(O)CC1)c1ccc(Br)cc1Cl 293654403 YCPXQGNBJIHDGS-AWEZNQCLSA-N 348.668 2.767 0 50 EFAA CN(CCc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)nn1 180492136 WUPKCYZLVOYQEY-UHFFFAOYSA-N 339.317 2.732 0 50 EFAA CCN(CC)CCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95387288 FHUZLOOHXDNUFA-KRWDZBQOSA-N 332.444 2.823 0 50 EFAA Cc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)ccn1 95524928 WGXJXAWMBBPNIK-UHFFFAOYSA-N 327.476 2.922 0 50 EFAA Cc1ccc(C)c(OCCN(C)C(=O)CN2C(=O)OC[C@@H]2C(C)C)c1 95504534 TYBLLIONYUGGSC-MRXNPFEDSA-N 348.443 2.617 0 50 EFAA CCCN(Cc1ccc(OCC)cc1)C(=O)CN1CCCCC1=O 97711717 FABOVZXGRJBVPI-UHFFFAOYSA-N 332.444 2.836 0 50 EFAA Nc1nccnc1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 181607752 KQYBFULLBVKCCH-UHFFFAOYSA-N 332.323 2.514 0 50 EFAA O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCc2c(F)cccc21 183764803 WDOLGCNXIGXGDD-CYBMUJFWSA-N 328.343 2.591 0 50 EFAA CC(=O)c1csc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)c1 184181304 PTVOTSRXLPPMRO-LLVKDONJSA-N 349.481 2.926 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(F)cc1 299753380 YANFCNGQIYJQCX-LSDHHAIUSA-N 329.327 2.634 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)n1 299772307 XVNLSXFKLXSZST-NSHDSACASA-N 329.400 2.739 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)C1(N2CCCC2)CCCC1 299781098 DDQGSWVKAGFIRQ-UHFFFAOYSA-N 329.488 2.773 0 50 EFAA O=C(N1CCc2[nH]nc(CO)c2C1)C1(c2ccc(Cl)cc2)CCC1 299801937 ZCLLJLPWQAZCEC-UHFFFAOYSA-N 345.830 2.562 0 50 EFAA Cc1ccc(N2C[C@@H](NC(=O)c3cccn3C(C)C)CC2=O)cc1 299787020 YRYUMYYEUHUXIU-HNNXBMFYSA-N 325.412 2.913 0 50 EFAA CCN(CC1CCOCC1)C(=O)N[C@@H](CC(=O)O)c1ccccc1 823054317 RAVHAJNQKAYCBG-INIZCTEOSA-N 334.416 2.661 0 50 EFAA Cc1c(NC(=O)COc2ccc(F)cc2F)cccc1C(=O)N(C)C 828070167 RHMCMDQTOYGPTG-UHFFFAOYSA-N 348.349 2.993 0 50 EFAA CO[C@H](C)c1nc(-c2cccc3c2ccn3C)nn1CC(C)(C)O 824258731 XIRZVNDLUYPASE-GFCCVEGCSA-N 328.416 2.915 0 50 EFAA CCN(C(=O)c1ccc(O)c(F)c1)[C@@H]1CCN(CC(F)(F)F)C1 863947689 VMQGAWNNCDKOKM-LLVKDONJSA-N 334.313 2.630 0 50 EFAA C[C@@H]1CCC(C)(C)N1C(=O)NCc1ccc(Cn2cncn2)cc1 864095403 JXKBLHFUTIKXOQ-CQSZACIVSA-N 327.432 2.799 0 50 EFAA COc1cc(Cn2c(Cc3ccc(F)cc3)noc2=O)ncc1Cl 1875318245 LHUFIRPLYYXXRV-UHFFFAOYSA-N 349.749 2.672 0 50 EFAA Cc1cc(C)n(-c2cccc(NC(=O)c3cn4ccncc4n3)c2)n1 1875322670 ABDWBKVOIOTWRE-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA Cc1ccc(OC[C@@H]2C[N@]2CC(C)C)c(C(=O)N=c2cc[nH]cc2)c1 1875385417 SONNUAZFVBLFTJ-SBUREZEXSA-N 339.439 2.783 0 50 EFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)[C@H]1CC12CCC2 952990564 RFMNAVVVAXPJPE-LLVKDONJSA-N 326.400 2.997 0 50 EFAA Cc1cccc(OCCn2cc([C@@H]3OCCC[C@H]3C(=O)O)cn2)c1 886088005 HOUVDVLHTHUZON-SJORKVTESA-N 330.384 2.823 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)CCc2cc(F)ccc2F)nn1 888078707 NVNUGXISLKQOCF-HNNXBMFYSA-N 332.354 2.633 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCn2ccc3ccccc32)C1 888077634 MVXZASGPWLHHJC-NVXWUHKLSA-N 338.411 2.743 0 50 EFAA CC(C)n1cc([C@@H]2N(C(=O)C3=CCCCO3)CC23CCOCC3)cn1 888101126 HJMYQBJXYWOQFZ-KRWDZBQOSA-N 345.443 2.838 0 50 EFAA CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 1775992088 PHCNKTZKZKJERT-HUUCEWRRSA-N 336.480 2.620 0 50 EFAA COC(=O)c1cc2cc(CNC(C)(C)c3cnn(C)c3)sc2[nH]1 1775994545 QBJXEQNMEUVRPP-UHFFFAOYSA-N 332.429 2.774 0 50 EFAA CO[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(Cl)cc1Cl 1565508876 DONSFFXXLGKQDW-STQMWFEESA-N 333.215 2.597 0 50 EFAA Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c[nH]1 271445212 RKSZQBWSJBCZDM-TZMCWYRMSA-N 339.317 2.685 0 50 EFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 221864748 WLHVBWVYAWKUHF-DDBAPUKQSA-N 333.476 2.671 0 50 EFAA O[C@H]1CCCC[C@@H]1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2O)n1 275019281 LQKOJPJNAXELFA-XUXIUFHCSA-N 340.855 2.561 0 50 EFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CCc2ccccc2)C1 275412207 BRKUMQKAJALFOB-QGZVFWFLSA-N 339.439 2.760 0 50 EFAA Cc1cc(CS(=O)(=O)N2CCc3c(cccc3C(C)C)C2)no1 276781499 WZIATYNXIWLVKZ-UHFFFAOYSA-N 334.441 2.995 0 50 EFAA CC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 277374763 HXUYPOWIJHJTEC-KSZLIROESA-N 332.444 2.650 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)NCc2ccnc(N3CCOCC3)c2)[C@H](C)C1 169985852 HCLSOVLMEAFPOR-INMHGKMJSA-N 346.475 2.542 0 50 EFAA COc1ccc(Cl)c(CN(Cc2ccccn2)S(C)(=O)=O)c1 170611125 ZHJDEZKHAJYXOT-UHFFFAOYSA-N 340.832 2.705 0 50 EFAA CCCN1CCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1=O 190116185 OLLHBNVHLJEZIY-CHWSQXEVSA-N 349.397 2.761 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)N1CC[C@@H](c2ccccc2)C1 194664069 YBNJLDBFNIFMDB-GOSISDBHSA-N 347.422 2.966 0 50 EFAA COc1cccc([C@H](O)C(=O)NC[C@H]2CCc3ccccc3C2)c1 765055728 OOXTUMSVRGWXEX-LIRRHRJNSA-N 325.408 2.650 0 50 EFAA Cc1cc([C@@H](C(=O)O)N2CCN(Cc3ccco3)CC2)ccc1F 1506421478 QBIXNNFEGAWETF-KRWDZBQOSA-N 332.375 2.671 0 50 EFAA O=C(NCc1ccccc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216207842 YBKHZYOYOIHCKV-MSOLQXFVSA-N 341.455 2.619 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)CCc2ccc(C)c(C)c2)C[C@@H]1C(C)C 216696479 GDDKCWSQCPYABR-MOPGFXCFSA-N 330.472 2.855 0 50 EFAA CN(CCCNc1nnc([C@H](N)c2ccccc2)o1)C1CCCC1 1772702353 REBGQGQCATWZST-MRXNPFEDSA-N 329.448 2.794 0 50 EFAA Cc1ncc(Cl)c(NC2CCN(C(=O)N3CCCCC3)CC2)n1 1772702818 URNFDKMYJDEWRE-UHFFFAOYSA-N 337.855 2.921 0 50 EFAA c1ccc2c(c1)COCc1nnc(CCc3nc4ccccc4[nH]3)n1-2 1772807063 IODJNGPXQBINMA-UHFFFAOYSA-N 331.379 2.959 0 50 EFAA O=C(CCc1cccc(O)c1)N1CCC(c2ccnc(O)c2)CC1 1772815080 IHRJIXCIRUYXTF-UHFFFAOYSA-N 326.396 2.832 0 50 EFAA Cc1cnccc1N1CCCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1775980985 FPDUPVYNXHAIRQ-SFHVURJKSA-N 344.503 2.549 0 50 EFAA COc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(F)ccc32)cc1 5451187 MAKRLHWBJLJNMO-QGZVFWFLSA-N 328.343 2.558 0 50 EFAA COc1ccc(CC[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 12583966 XYIDXTOZZJGDDQ-INIZCTEOSA-N 327.428 2.914 0 50 EFAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cn(C)nc3C)C2)c1 12711150 DNMBIYAEHHXMOT-FQEVSTJZSA-N 343.471 2.554 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)Cc2nnc(C)o2)c(F)c1 15070411 TXULMRCXFCNUCK-UHFFFAOYSA-N 331.351 2.548 0 50 EFAA CN(C)CCCN1C(=O)CC[C@@H]2CN(Cc3cccs3)CC[C@@H]21 19744261 RQZKMAURYLDGOL-WBVHZDCISA-N 335.517 2.513 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1O 1857726375 NYBZASNCEHFOSF-GOEBONIOSA-N 345.361 2.691 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)N(C)CCOc2cc(C)cc(C)c2C)CC[C@H]1N 1857732403 OWASFZLTOWORTC-YQVWRLOYSA-N 348.487 2.591 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 237634090 YTIGKQHVNSCEOQ-ROUUACIJSA-N 339.391 2.878 0 50 EFAA C[C@H]1CCCC[C@@H]1N(C)C(=O)CS(=O)(=O)c1ccc(F)cc1 131686632 JPMVGSMOMKFQNB-WFASDCNBSA-N 327.421 2.637 0 50 EFAA CN1CC[C@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 245601020 VKRHWYHFCNXOQK-JKSUJKDBSA-N 336.863 2.897 0 50 EFAA Cn1cccc1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 343826791 FXEYEFHKJJTXHR-MRXNPFEDSA-N 328.412 2.724 0 50 EFAA CN(CCO)Cc1cccc(-c2nc(CC3CCCC3)cc(=O)[nH]2)c1 20912986 LHPVPAAWWPOBEV-UHFFFAOYSA-N 341.455 2.594 0 50 EFAA O=S(=O)(c1cnc[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 363063294 YTHWVWWPRSCAQQ-QGZVFWFLSA-N 339.420 2.746 0 50 EFAA COc1cccc2c1CN(C(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1)C2 905124087 PNTGRYWXLCPFTJ-OXJNMPFZSA-N 337.375 2.580 0 50 EFAA COc1ccc(-c2cnc(N)nc2C(F)(F)F)cc1CN(C)C 1241652775 MNXJVAXYRWLHLO-UHFFFAOYSA-N 326.322 2.815 0 50 EFAA Cc1nc(C)c2c(C)c(C(=O)NC[C@H](C)c3ncc[nH]3)sc2n1 2325781655 XHUOBHJLRYUCJR-QMMMGPOBSA-N 329.429 2.873 0 50 EFAA Cn1cc(NC(=O)N2CCc3c2cccc3C(C)(C)O)c(Cl)n1 2325790096 MLWNLZUEPAGWAJ-UHFFFAOYSA-N 334.807 2.896 0 50 EFAA CO[C@H]1CC[C@@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 2325803127 RRNMXYRSADECKQ-AEFFLSMTSA-N 345.439 2.981 0 50 EFAA OCc1ccc(Sc2cn(C[C@H]3CC[C@@H](C4CC4)O3)nn2)cc1 887470243 JIZKRGHKTZIAOP-ZBFHGGJFSA-N 331.441 2.879 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 247752449 UILZAEGPSGMPFM-JIMOISOXSA-N 341.238 2.821 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)Nc1ccccn1 367620 RKXQLWZEBRUOIA-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA Cc1cc(C)c(S(=O)(=O)n2cc(Br)cn2)c(C)c1 476135 DVMSWMBLCZSTPH-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1N 616538 DBMRKGDJNJUXND-UHFFFAOYSA-N 328.759 2.878 0 50 EFAA Cc1ccc(CC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356135133 QRHYDDXDRVHBIU-FQEVSTJZSA-N 326.440 2.684 0 50 EFAA COC(=O)c1ccccc1OCCOc1ccccc1C(=O)OC 2839400 WDSJTIZSMQTKTE-UHFFFAOYSA-N 330.336 2.718 0 50 EFAA Cc1nc(CCC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cs1 2356156714 NPWJQMRUGLFOBA-KRWDZBQOSA-N 330.457 2.614 0 50 EFAA Cc1cc(S(=O)(=O)N2CCN(C3CC3)C[C@H]2C)c(C)cc1Cl 2356169682 VMHSIERJIYGYLI-CYBMUJFWSA-N 342.892 2.814 0 50 EFAA CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 4841565 IZLDIVOQHVCRDQ-UHFFFAOYSA-N 331.228 2.627 0 50 EFAA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)cc2)CC1 4842972 YOLZWWZMFDUWGR-UHFFFAOYSA-N 337.423 2.916 0 50 EFAA CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CCCCC1 4958061 JQILUMBUNLQQNH-MSOLQXFVSA-N 330.453 2.971 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2)cc1 6706521 QMZMICNXJYSILN-UHFFFAOYSA-N 335.381 2.673 0 50 EFAA COC(=O)CSc1nnc(COc2ccc(Cl)c(C)c2)n1C 6731586 GJOQDTKOWHSIMC-UHFFFAOYSA-N 341.820 2.621 0 50 EFAA Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1Br 343282510 RPMAXQFWSWUKOH-UPJWGTAASA-N 341.249 2.519 0 50 EFAA CCCN1C[C@@H](C(=O)N(Cc2ccccc2OC)C2CC2)CCC1=O 55341057 BZDCSQPAKOKDEJ-INIZCTEOSA-N 344.455 2.835 0 50 EFAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)[nH]n1 225406590 QEFIUJDMXDQDSP-YGRLFVJLSA-N 339.317 2.685 0 50 EFAA Cc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1 55069414 XTEOUAIIVCDVDP-UHFFFAOYSA-N 329.488 2.956 0 50 EFAA CONC(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 134757439 CKJRHGKNJHOEML-UHFFFAOYSA-N 341.392 2.888 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 10363190 ZDZBRRCDERVTBH-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA CCCN(CC1CC1)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 20136373 HJTRDPKZAFDUEA-KRWDZBQOSA-N 330.428 2.839 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)C(C)(C)NC(=O)c1cccs1 65489338 OLSIDQOOCPNWOS-CYBMUJFWSA-N 338.473 2.674 0 50 EFAA CCCc1cc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cs1 67742877 XBGFTPCEPWCXPA-UHFFFAOYSA-N 335.517 2.553 0 50 EFAA COc1ccnc(CN2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1 77456820 ARQZHVIKNNCISY-FQEVSTJZSA-N 343.471 2.705 0 50 EFAA Cc1nc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c(=O)[nH]c1C 136712195 KZBQRFPQWAEAFT-UHFFFAOYSA-N 340.210 2.966 0 50 EFAA CCCCCCOC(=O)[C@@H]1CN1[C@@H](Cc1ccccc1)C(=O)OCC 36246829 MXCHQFBWHCWGRT-GAOSQQNJSA-N 347.455 2.969 0 50 EFAA Cc1cc(Cl)cc(Cl)c1OCCOCCN1CCN(C)CC1 22033820 JSNSLJNYUZVJML-UHFFFAOYSA-N 347.286 2.945 0 50 EFAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CCOc1ccccc1 11714563 YOYQVGUUBPLYRS-INIZCTEOSA-N 340.427 2.505 0 50 EFAA Cc1cccnc1C[C@H](C)NC(=O)c1cnc(-c2ccncc2)nc1 67742190 KBIYWOJUJLEDLA-AWEZNQCLSA-N 333.395 2.603 0 50 EFAA COc1ccc(F)cc1CC(=O)Nc1ccc2c(c1F)CCNC2 423659573 ZPYDLCQJMMMECM-UHFFFAOYSA-N 332.350 2.800 0 50 EFAA Cc1nc(CN(C)Cc2ccc(O[C@@]34CCCN(CC3)C4)cc2)no1 67966092 DFUKQQOXIXFHCN-IBGZPJMESA-N 342.443 2.627 0 50 EFAA O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CC[C@@H](N2CCCC2)C1 120183077 ZWNPRUSALHOXQR-HZPDHXFCSA-N 345.443 2.556 0 50 EFAA Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)[C@H]1CCCOC1)C(C)C 252511619 ISQXHUNFOBSTFY-BQFCYCMXSA-N 346.471 2.681 0 50 EFAA C[C@@H](CC(=O)N1CCC[C@@H]1c1nncn1C)c1ccc(F)cc1F 121163905 SXMRGYGOVNFSCJ-XHDPSFHLSA-N 334.370 2.951 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(F)ccc12 12375156 MBZBAJJTRVBHNX-UHFFFAOYSA-N 340.310 2.900 0 50 EFAA Cn1ccnc1CN1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12307319 KBNPAVVUTLUJEK-NRFANRHFSA-N 338.499 2.951 0 50 EFAA CCn1nnnc1-c1cccc(NC(=O)COC2CCC(C)CC2)c1 356152661 ZUBGVNAIPHXHKY-UHFFFAOYSA-N 343.431 2.894 0 50 EFAA CCCN(Cc1nc(C(=O)OCC)no1)[C@H]1C[C@H](OCC)C1(C)C 328598105 KAVRWKNZJMIDMK-STQMWFEESA-N 339.436 2.662 0 50 EFAA C[C@H](SCc1ccccc1)C(=O)Nc1n[nH]cc1Br 328591836 RVCZTYBQNBTQID-VIFPVBQESA-N 340.246 3.433 0 50 EFAA CC(C)(C)c1noc(CNc2cc(C(N)=O)ccc2N2CCCC2)n1 253417585 AQBCSMGRNKDUMT-UHFFFAOYSA-N 343.431 2.678 0 50 EFAA COCc1nsc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 253425932 JNYQKGWKBMQWIH-CVEARBPZSA-N 344.484 2.928 0 50 EFAA Cc1nc(C)c(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)nc1C 364065837 XEZWHWVPWGGYCZ-MRXNPFEDSA-N 335.411 2.839 0 50 EFAA CCn1cnnc1[C@@H]1CN([C@H](C)c2nc3ccccc3o2)CCO1 328634112 MMYSKCLHFFPQAS-DOMZBBRYSA-N 327.388 2.574 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)N2CC(O)=Nc3cnccc32)o1 328768775 BVPBKYLDJGGKPP-UHFFFAOYSA-N 328.372 2.935 0 50 EFAA C[C@@]1(c2ccccc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 8681087 OBGAHUXKCOFNDS-YOEHRIQHSA-N 340.477 2.728 0 50 EFAA O=S(=O)(NC1CCC(F)(F)CC1)c1ccc2c(c1)CCCO2 329125472 SYRYLDKMTSCXCF-UHFFFAOYSA-N 331.384 2.868 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)C2)n1 671590174 GSMJFEMHQQEZCU-LBPRGKRZSA-N 342.330 2.802 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nn2cnc3ccccc3c2=O)o1 365200911 HAEHWUSIURAGKY-FAAHXZRKSA-N 349.390 2.987 0 50 EFAA O[C@@]1(c2ccc(F)cc2)CCN(Cc2nnc(-c3ccccc3)o2)C1 369426319 LWIVVDXDMCNXLP-IBGZPJMESA-N 339.370 2.969 0 50 EFAA COc1cccc(CC(=O)N(C)CCc2scnc2C)c1OC 72412191 BEXUQXPQHKJDAL-UHFFFAOYSA-N 334.441 2.712 0 50 EFAA COc1cccc(C[C@@H](C)NC(=O)N2CCC[C@@H]2c2noc(C)n2)c1 332815183 YQASYNCHSCHMDO-MLGOLLRUSA-N 344.415 2.864 0 50 EFAA O=C(O)COc1cccc(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c1 262823797 QEQINDSHEKMFSO-BHIYHBOVSA-N 337.375 2.608 0 50 EFAA CCCc1cc(CN(C)C(=O)[C@@H]2COc3ccc(OC)cc3C2)[nH]n1 216291765 AHFXSAMECKBCNN-AWEZNQCLSA-N 343.427 2.581 0 50 EFAA C[C@@H]1C[C@@H]1c1nnc2ccc(N[C@@H]3CCOC4(CCCCC4)C3)nn12 333624923 ZDGJSIIZGYCNRB-KFWWJZLASA-N 341.459 3.542 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(c3ccncc3)CC2)c(C)n1 72454263 PVYGSDOAMYYCFN-UHFFFAOYSA-N 327.384 2.596 0 50 EFAA Cc1cc(C(=O)NC(C)(C)c2nccs2)cc(C)c1OCC(=O)O 237710058 FAFFCCKMXSBWJM-UHFFFAOYSA-N 348.424 2.888 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(c2ccnc3cc(C(F)(F)F)ccc23)C1 284527626 KRBBANXUQYPLKX-NWDGAFQWSA-N 326.318 2.840 0 50 EFAA COc1ccc2cc(CN(C)Cc3csc(C)n3)c(=O)[nH]c2c1 216058087 MJAVKJMGKVNKHZ-UHFFFAOYSA-N 329.425 2.934 0 50 EFAA O=C(NC[C@H]1CCCS1)[C@H]1CCCCN1C(=O)c1cccs1 131644524 WWTHCSFEHOVDON-CHWSQXEVSA-N 338.498 2.755 0 50 EFAA Cc1cnc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72478748 AIOOCOCKVIPIPG-UHFFFAOYSA-N 340.471 2.512 0 50 EFAA CC(C)[C@H]1CN(C(=O)NC2CCCCC2)CCC(=O)N1CC1CC1 71750355 BRPJHEKOUKOHBE-QGZVFWFLSA-N 335.492 2.998 0 50 EFAA COc1cc(Cl)ccc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 285001300 YFJSLZCKQLKOJC-OAGGEKHMSA-N 325.836 2.710 0 50 EFAA O=C(Cn1cc(Cl)cn1)N1CCC(Oc2cccc(F)c2)CC1 77534964 FUICQQMCSYVXHM-UHFFFAOYSA-N 337.782 2.746 0 50 EFAA CC(C)OC(=O)NC[C@@]1(O)CCCN(C2Cc3ccccc3C2)CC1 72163792 BYTKPEPPHDCPJO-HXUWFJFHSA-N 346.471 2.505 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)[nH]n1 286083942 DNENZQMCAGTPMG-JTQLQIEISA-N 343.309 2.573 0 50 EFAA CNS(=O)(=O)c1csc(C(=O)Nc2ccc(Cl)cc2F)c1 175877814 VMTKDUHIZBDDTA-UHFFFAOYSA-N 348.808 2.701 0 50 EFAA COc1ccc2ccccc2c1CNC(=O)N[C@H]1CC[C@H](O)CC1 245530476 XFDMYKGFYGKHBG-SHTZXODSSA-N 328.412 2.951 0 50 EFAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1Br 222189933 HPKRRHAKRSMEKJ-NFFDBFGFSA-N 348.196 2.590 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1 289430309 DDQCIXSCOLDIFK-APWZRJJASA-N 342.414 2.810 0 50 EFAA CCSCCNC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 426700124 XWSMFIAHCZFYKD-KRWDZBQOSA-N 336.501 2.765 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 85594545 UYVXZMOFVXGMKR-GJZGRUSLSA-N 326.396 2.583 0 50 EFAA O=C(c1onc2c1CCCC2)N1CCC[C@@H](OCc2ccccn2)C1 426531600 MKJSWKISWDZXJZ-OAHLLOKOSA-N 341.411 2.770 0 50 EFAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239203236 RZUNVMBBQCVVNN-KKOKHZNYSA-N 328.151 2.586 0 50 EFAA CC[C@H](O)Cn1nc(C)nc1-c1ccc(CSc2ncccn2)o1 96166408 OAQLVYMPOZMCMH-LBPRGKRZSA-N 345.428 2.700 0 50 EFAA O=C(c1cnn2ccccc12)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95377952 BTPQFCOLIZZZIY-IAGOWNOFSA-N 338.455 2.671 0 50 EFAA Cc1cccc(S(=O)(=O)NC[C@]2(C)CCCC[C@@H]2O)c1Cl 180382561 AASRDXRPXMDBDD-ZFWWWQNUSA-N 331.865 2.868 0 50 EFAA Cc1cnc(CNC(=O)Nc2ccccc2OC[C@H]2CCCO2)cn1 95526741 QRHTYAVITKTCRT-OAHLLOKOSA-N 342.399 2.665 0 50 EFAA Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12 95369170 SRTYKNAMRKULIZ-UHFFFAOYSA-N 328.441 2.742 0 50 EFAA CCn1ncc(Cl)c1C(=O)NC[C@H]1COc2cc(OC)ccc2C1 95520337 XAGUZYKJXFPBEP-NSHDSACASA-N 349.818 2.546 0 50 EFAA COc1ccc(OC)c(NC(=O)N(C)CCCc2nccn2C)c1 244811488 SDRVENJHYGXNFM-UHFFFAOYSA-N 332.404 2.534 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 299750022 MKQLOXPWYQTWLK-YNEHKIRRSA-N 338.201 2.628 0 50 EFAA O=S(=O)(CC1CCCC1)NC1CCN(Cc2cccs2)CC1 363835993 ZFZGHNMEBLZNNV-UHFFFAOYSA-N 342.530 2.822 0 50 EFAA CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCCCC2)C1 299778908 PCNVCSDMGHEFJI-QGZVFWFLSA-N 330.476 2.840 0 50 EFAA Cc1cnc(C)c(-c2cccc(C(=O)N(C)CCc3cn[nH]c3)c2)n1 299780879 CMRRBJHPGLYYAQ-UHFFFAOYSA-N 335.411 2.798 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1ccc(Cl)cn1 825562275 RVQDAHVPORAZSZ-OAHLLOKOSA-N 345.830 2.835 0 50 EFAA Cc1nc2ccc(CC(=O)NCC3(N(C)C)CCCCC3)cc2[nH]1 670463619 MIMGGQFXXJYNSE-UHFFFAOYSA-N 328.460 2.795 0 50 EFAA O=C(Cn1nc(-c2ccc(Cl)cc2)nc1Cl)[C@H]1CCOC1 864235079 GSRNCLRZMVYYIN-JTQLQIEISA-N 326.183 2.858 0 50 EFAA O=C(c1ccco1)N1CCN(Cc2nccc(Cl)c2Cl)CC1 952994099 LZCDWBHWJWNGOE-UHFFFAOYSA-N 340.210 2.939 0 50 EFAA Cc1cccc2cc(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)[nH]c12 1875252408 RWTDFTFRYCAMFP-HNNXBMFYSA-N 343.452 2.518 0 50 EFAA Cc1cc(C(=O)N2CC(O)(C(F)(F)F)C2)c2c(c1)[C@@H](C)CCN2 1875329331 RCEJECVRRVAQNO-JTQLQIEISA-N 328.334 2.663 0 50 EFAA CC(=O)Nc1nc2cnc(NC3([C@H]4CCCO4)CCC3)nc2s1 1875404462 JSEDCBYKKMTEPF-LLVKDONJSA-N 333.417 2.558 0 50 EFAA Cc1cc(CC(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)on1 952868162 CFGYHOIZECGOJQ-QGZVFWFLSA-N 344.411 2.612 0 50 EFAA O=C(c1ccc(F)cc1Cl)N1CCCN(C[C@@H]2CCOC2)CC1 989598962 CWLMGPGIEYKHIB-ZDUSSCGKSA-N 340.826 2.664 0 50 EFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565526865 FWCIHMNFTSKRKT-KGLIPLIRSA-N 327.384 2.536 0 50 EFAA COC[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)CCO1 301438468 SRZBBBMDYNOZKU-OAHLLOKOSA-N 336.395 2.543 0 50 EFAA CCCN(C(=O)c1nnc(C(C)(C)C)s1)[C@@H](C)C(=O)OCC 1362599096 KPESRKGWJLCZSO-JTQLQIEISA-N 327.450 2.639 0 50 EFAA CCOc1ccc(CN2CCN(c3ncc(C)c(C)n3)CC2)cc1 301881182 MATTZAUGFANJPY-UHFFFAOYSA-N 326.444 2.814 0 50 EFAA Cn1ccnc1-c1cccc(NC(=O)NC[C@H]2CCC[C@@H](O)C2)c1 304378990 XWRLAMOARYQROP-XJKSGUPXSA-N 328.416 2.760 0 50 EFAA CCc1nc(CN(C)S(=O)(=O)C[C@@H]2CCC3(CCC3)O2)cs1 1364761348 QQVMAXQOXMVMBG-ZDUSSCGKSA-N 344.502 2.569 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)[C@@H](C)c3cccs3)CCO2)o1 275305409 HYSAGCIHDDGYQA-NWDGAFQWSA-N 335.429 2.958 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc2nccnc2cc1F 280105002 PFFPEGKXLYXBJP-APPDUMDISA-N 347.415 2.553 0 50 EFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)c1 188547684 JBOWUADOBQCVDQ-ZMSDIMECSA-N 346.471 2.998 0 50 EFAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C1CCC2(CC1)CC2 685942774 VNTKTPCCRRRWFI-AWEZNQCLSA-N 330.432 2.533 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)NCCNc1cccc(Br)c1 190074453 HMRBVNXTXNLXGR-SMDDNHRTSA-N 341.249 2.792 0 50 EFAA C[C@H](c1nnnn1C1CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 191952673 ZCYMOEYASYCITL-ABAIWWIYSA-N 333.823 2.796 0 50 EFAA CC(C)(C)c1csc(CCNC(=O)C2CCC(C(=O)O)CC2)n1 194412077 VCQLRQAHLPXWSV-UHFFFAOYSA-N 338.473 2.990 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CN2CC[C@@H](C3CCN(C)CC3)C2)cn1 668169551 UCAVVZAJGMIWOZ-WSTZPKSXSA-N 346.519 2.644 0 50 EFAA CCCn1nc(C)c(NC(=O)[C@@H]2CCCCN2C(=O)C2CC2)c1C 1529119579 YGPMQAMLHPVYAF-HNNXBMFYSA-N 332.448 2.640 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCC2(CC1)OCCc1ccsc12 1704297308 LYQMJXUCTMWRCL-UHFFFAOYSA-N 345.468 2.885 0 50 EFAA CN1CCC[C@]2(CO)CCN(C(=O)c3csc4ccccc34)C[C@@H]12 1704343611 KZDVVLXHPUVOPD-IEBWSBKVSA-N 344.480 2.820 0 50 EFAA 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1857528286 RNDNUPCPUFDFEC-HZPDHXFCSA-N 345.374 2.909 0 50 EFAA CCCCCc1nc(-c2cnc3cccnn23)n([C@@H]2CCOC2)n1 1857669989 INMZNEJQTIZSLV-CYBMUJFWSA-N 326.404 2.682 0 50 EFAA Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)on1 1857676155 KRFVNHJERTVLHI-HQRMLTQVSA-N 340.423 2.510 0 50 EFAA CC(C)C[C@H]1C(=O)NCCN1c1nc(C(F)F)nc2ccccc12 302470460 CSCQYCFWHIVWNA-ZDUSSCGKSA-N 334.370 2.918 0 50 EFAA Cc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n(C)n1 418039177 TVJUZSXLZWNZHE-LLVKDONJSA-N 327.354 2.850 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 4113623 SWIZHUQSYHEPOO-CQSZACIVSA-N 338.404 2.750 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 237417057 ZURHWORVMIRQBL-AAEUAGOBSA-N 330.350 2.714 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCC12CCOCC2 241946678 UNAOHDDOHUGXTM-IRXDYDNUSA-N 346.475 2.715 0 50 EFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)C2(C(=O)O)CC=CC2)C1 663070029 KSHASGKZAKMBFS-CVEARBPZSA-N 334.460 2.520 0 50 EFAA O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(Br)cc1 19335185 YLERWQXUOJLMFJ-ZDUSSCGKSA-N 337.217 2.567 0 50 EFAA CCN1CC[C@H](NC(=O)[C@H](C)COC)[C@@H]1c1cc(F)c(F)c(F)c1 253371024 ZOOFXGSKOONONW-OOVXXXAESA-N 344.377 2.638 0 50 EFAA Cn1nnc2c1C[C@H](C(=O)N1CCc3cc(C(C)(C)C)ccc31)CC2 377770518 DOANGWOJLYEGHB-CQSZACIVSA-N 338.455 2.807 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@H](C(=O)O)C3)s2)c1 263142893 ZVRGDEQFJIDSEX-NSHDSACASA-N 346.412 2.760 0 50 EFAA O=C(NOCc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2)C1=O 816099230 NFRQHRCUHTVYIH-QGZVFWFLSA-N 342.370 2.817 0 50 EFAA COc1cc(C(=O)N2CCOc3c2cccc3C(F)(F)F)ncn1 905997732 AIDFGAKBCLIXTF-UHFFFAOYSA-N 339.273 2.543 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ncsc2Nc2ccccc2)C1 908599875 XVCZQYPMRSXIBE-NSHDSACASA-N 331.397 2.824 0 50 EFAA O=C(c1ccnc(NC2CCCC2)c1)N1CC[C@@H](c2ncc[nH]2)C1 2325762153 CDMMRCUFAZDIDM-CQSZACIVSA-N 325.416 2.789 0 50 EFAA C[C@H]1OC2(C)CC1(c1nc([C@@]3(C)COc4ccccc4O3)no1)C2 2325777570 MBHBDKOGCKRBPL-KBHJGZINSA-N 328.368 2.965 0 50 EFAA O=C(CCc1cscn1)Nc1ccc(NC(=O)C2CCC2)cn1 2325781291 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EFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C)CC(=O)N1 4986804 CJYBNXXVVSDYIN-HOCLYGCPSA-N 329.396 2.595 0 50 EFAA CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1 6781263 XALZACYNJDRAMR-UHFFFAOYSA-N 330.365 2.713 0 50 EFAA Cc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 54530048 WGVHNIHMRZRRKH-UHFFFAOYSA-N 327.403 2.895 0 50 EFAA COc1ccc(CN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 100491781 ULRCHGFUVDMHJI-INIZCTEOSA-N 344.798 2.770 0 50 EFAA COC(=O)[C@H](OC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1cccc(Cl)c1 247846268 PMSCSEUNQYYTNC-SOUVJXGZSA-N 348.786 2.635 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)n1 345794569 IHRCLEJEODKJAE-CYBMUJFWSA-N 338.285 2.683 0 50 EFAA COc1cc(C)c(-c2nc(CN3CCNC(=O)[C@@H]3C)c(C)o2)cc1C 67804769 WQJWOMNYBPZCDP-ZDUSSCGKSA-N 343.427 2.596 0 50 EFAA CC(=O)N1CCc2nc(C)nc(NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2CC1 65387024 LHQHXACHUZKQQN-IXDOHACOSA-N 340.471 2.746 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1C2 249614241 OAWGKUHBTWBWGE-ZOBUZTSGSA-N 342.439 2.701 0 50 EFAA CCNC(=O)NC[C@H]1CCN(Cc2c(Cl)ccc(C)c2F)C1 67974624 NISRXEWRBRRPHV-GFCCVEGCSA-N 327.831 2.929 0 50 EFAA CN(CCc1noc(C2CC2)n1)C(=O)CCc1ccc(F)cc1F 219890089 MMUXQFRNVKXWSW-UHFFFAOYSA-N 335.354 2.859 0 50 EFAA O=C1NCCCc2nc(C[C@@H]3CCCCN3Cc3ccccc3)[nH]c21 65404937 SMCBPEFEQLCRBR-INIZCTEOSA-N 338.455 2.683 0 50 EFAA CN1CCC[C@@H](CNC(=O)c2nccn3ccnc23)[C@H]1c1ccccc1 252477456 OFHOEWHRKIDGPU-FUHWJXTLSA-N 349.438 2.542 0 50 EFAA COc1cc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)ccc1F 252483960 FLJCROSBOSBILN-UHFFFAOYSA-N 347.371 2.925 0 50 EFAA CN(C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)C1 252550178 SEBOIUOYPPPNPL-BSDSXHPESA-N 337.508 2.584 0 50 EFAA CC(C)S(=O)(=O)N1CC[C@@H](NC/C=C/c2ccccc2)[C@H](C)C1 252517566 LQOJBLIODLALKW-HQWTUQCVSA-N 336.501 2.738 0 50 EFAA CN(CC(F)(F)F)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 124559268 UKBPLQSCSVWGIT-CYBMUJFWSA-N 328.334 2.702 0 50 EFAA CCCCc1noc([C@H](C)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)n1 252677438 YTDMDFLKSDGBFY-IPYPFGDCSA-N 334.464 2.710 0 50 EFAA Cc1ccccc1Cn1cc(C(=O)NCCCc2ccccc2)nn1 12706740 NIZKCWUGQPWPSH-UHFFFAOYSA-N 334.423 2.997 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)CCC(F)(F)F 253429641 HTDYWGLGJLPAGJ-BDAKNGLRSA-N 341.376 2.558 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C3CC3)no2)c1 282444007 JQXRRGYYDCFOIV-CZUORRHYSA-N 328.368 2.509 0 50 EFAA CO[C@H]1C[C@@H](C(=N)O)N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 330549921 RLOBBHUOSQAWGQ-KWQFWETISA-N 334.269 2.609 0 50 EFAA Cn1cc(CCN2CCOc3ccc(Br)cc3C2)cn1 282869445 UPCOYNGHPUMYQZ-UHFFFAOYSA-N 336.233 2.620 0 50 EFAA COc1ccc2cc([C@@H]3CN(c4cc(N)ncn4)CCO3)ccc2c1 71775855 BRVQORUHVAWHTQ-KRWDZBQOSA-N 336.395 2.799 0 50 EFAA COc1cc(CN[C@H]2C[C@@H](N)c3ccccc32)cc(OC)c1OC 261657963 KJSUQHCSSUDRHP-CVEARBPZSA-N 328.412 2.947 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)c1 332352803 HRBADPRIBCMDDJ-UHFFFAOYSA-N 345.468 2.716 0 50 EFAA Cn1nnc2c1C[C@@H](C(=O)Nc1nc3c(s1)CC(C)(C)CC3)CC2 333151960 KQTHFCMMAXWQHU-JTQLQIEISA-N 345.472 2.530 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COc2cccc(F)c2)c1 337524547 XEUNNJRVJIYOMK-MAUKXSAKSA-N 345.370 2.548 0 50 EFAA Cc1cc(C)n([C@H]2CCN(Cc3cnc(-c4ccccn4)nc3)C2)n1 215878646 IQTNPILELMPKMT-KRWDZBQOSA-N 334.427 2.799 0 50 EFAA Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](c3ccnc(N)n3)C2)o1 375073129 CGMROLDDJRFUNC-ZDUSSCGKSA-N 338.415 2.730 0 50 EFAA CCc1noc(C2CCC(NC[C@H]3CCCN(C(C)=O)C3)CC2)n1 375674200 ACNJHXNBAKADLX-QQFBHYJXSA-N 334.464 2.506 0 50 EFAA CNc1nc(CN(Cc2cccnc2)[C@@H]2CN3CCC2CC3)cs1 72156942 OKLPGABWEBJSKD-QGZVFWFLSA-N 343.500 2.676 0 50 EFAA COc1cccc(-c2nsc(NC(=O)NCC(F)(F)F)n2)c1 284391978 IMYLPHHCIDTXPA-UHFFFAOYSA-N 332.307 2.898 0 50 EFAA Cc1ccc([C@@H](CN2CCOCC2)Nc2ncnc3[nH]ccc23)cc1 339238069 PFMDFGYZSQKYOW-QGZVFWFLSA-N 337.427 2.752 0 50 EFAA O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)C(=O)C1 74756927 PEZNHYSKFJEPPT-UHFFFAOYSA-N 344.798 2.594 0 50 EFAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)s1 82109162 SQBJEEDNRLQFKW-GOSISDBHSA-N 336.501 2.644 0 50 EFAA Cc1c[nH]cc1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 342562645 FAOIITOBGZGRQU-VXGBXAGGSA-N 346.349 2.915 0 50 EFAA COC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 226088668 YCZMPIJHISEKCW-UHFFFAOYSA-N 340.228 2.713 0 50 EFAA O=C(CSc1ccncc1)N1CCO[C@H](c2ccc(F)cc2)C1 44709215 FKIRYCGAMZRUAM-INIZCTEOSA-N 332.400 2.913 0 50 EFAA COc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1Cl 42157628 YRMNICLPRUQFDJ-UHFFFAOYSA-N 326.805 2.564 0 50 EFAA O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 291110323 GNQVCGWQNMMESD-RBUKOAKNSA-N 330.472 2.832 0 50 EFAA Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCC1CCN(C)CC1 426613616 JUROGFPXKQLEIG-MRXNPFEDSA-N 332.492 2.694 0 50 EFAA Cc1cc(C)c(N2C[C@H](C(=O)NC3(C)CCOCC3)CC2=O)c(C)c1 178646240 CZVJBVLNORCJRB-MRXNPFEDSA-N 344.455 2.650 0 50 EFAA Cc1cncnc1C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 426563551 VWRBEKVTEBREDO-QGZVFWFLSA-N 337.423 2.742 0 50 EFAA Cc1noc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1 91656707 SNAQDUNIBPXHJI-SFHVURJKSA-N 332.448 2.525 0 50 EFAA CC[C@H](O)Cn1nc(Cc2cccs2)nc1Cc1cccnc1 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CCc1nc(CNC(=O)c2ccccc2OC(F)(F)C(F)F)no1 244633126 FXCTVOFHKYLUMF-UHFFFAOYSA-N 347.268 2.799 0 50 EFAA O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1ccccc1F 182563050 JKQHTKWOKAXWDS-UHFFFAOYSA-N 336.373 2.540 0 50 EFAA CCOC(=O)N1C=C[C@H]2C=C[C@H]1[C@H]1C=CC=C[C@H]2N1C(=O)OCC 254312040 PZAAENBNMVEOQZ-LVQVYYBASA-N 330.384 2.849 0 50 EFAA O=C(Cn1ccc(=O)cc1)NCC1(c2cccc(F)c2)CCCC1 252500559 SXSMFELRJWDXBU-UHFFFAOYSA-N 328.387 2.616 0 50 EFAA CCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C 348257358 PMLFXMQUVMPVDJ-CYBMUJFWSA-N 330.881 2.801 0 50 EFAA COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@@H]3C4(C[C@]2(C)[C@]31C)OCCO4 253600081 FWIFBGVWIAMUTB-TUCQFJRYSA-N 343.423 2.861 0 50 EFAA CCOc1ccccc1C(=O)N1CCS(=O)(=O)c2ccccc2C1 185085911 MRFPRYUOTCPTSZ-UHFFFAOYSA-N 345.420 2.515 0 50 EFAA O=C(CCC(=O)NC1CCCC1)Nc1cccc(-n2cccn2)c1 535896437 PFLFSNKYPYIXRU-UHFFFAOYSA-N 326.400 2.650 0 50 EFAA O=C(O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O 299784525 XVWRMMCREGGKBB-GOSISDBHSA-N 333.359 2.630 0 50 EFAA CNC(=O)CCCNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1 299780851 BWXPSXRPFQMNBA-UHFFFAOYSA-N 339.439 2.676 0 50 EFAA Cn1ccn2ncc(C(=O)N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)c12 299782216 XHTBUGPSNBRULQ-YOEHRIQHSA-N 340.402 2.953 0 50 EFAA Cc1ccc(OC2CN(C(=O)NC[C@@H](C)N3CCCCC3)C2)cc1 584895610 QQZLTBNGOUVIMV-MRXNPFEDSA-N 331.460 2.642 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc(-n2cccn2)c1 827811395 JKKXDZQOKUJTAD-QGZVFWFLSA-N 332.363 2.686 0 50 EFAA C[C@H](NC(=O)N[C@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl 267617092 KPPKBLBBNHQBHD-YUMQZZPRSA-N 348.205 2.723 0 50 EFAA CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)N1CCCOCC1 868931711 WJEIBDNTUDQXJQ-MRXNPFEDSA-N 329.444 2.931 0 50 EFAA CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)c1ccccc1C 952883446 XKNLRDYAUSKDHT-UHFFFAOYSA-N 328.416 2.603 0 50 EFAA C[C@@H]1C[C@@H](CN(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CCO1 952884152 UJOWZVDGXMAQEG-FRRDWIJNSA-N 346.397 2.650 0 50 EFAA CCN(CC)CCN(CCC(F)(F)F)C(=O)CCCCCO 952994981 YYVUJQCSNCINGF-UHFFFAOYSA-N 326.403 2.662 0 50 EFAA Cn1cc(Nc2cccc(NC(=O)[C@H](C(=O)O)C(C)(C)C)c2)cn1 1875267376 NTSJJIOHMJDOGW-CQSZACIVSA-N 330.388 2.849 0 50 EFAA OC[C@@]1(CNc2nc(-c3ccccn3)nc3sccc23)CCOC1 1875288152 PINYAUJGIANAGI-KRWDZBQOSA-N 342.424 2.564 0 50 EFAA Cn1cc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)ccc1=O 952974344 MDKHGFNJEHIZHE-KRWDZBQOSA-N 342.395 2.586 0 50 EFAA Cc1c(S(=O)(=O)NC2(C)CC2)cnn1-c1ccc(Cl)cc1 1771608792 GFOBQOBECHYRGD-UHFFFAOYSA-N 325.821 2.665 0 50 EFAA COc1cccc2c1CC[C@]2(CO)NCc1cc(O)cc(Cl)c1 896019091 TXIUBYIRGRIWOQ-GOSISDBHSA-N 333.815 2.978 0 50 EFAA O=C(c1cc2ccccc2s1)N1CC(c2n[nH]c3c2COCC3)C1 1775985382 HRLAEOLORRGHOR-UHFFFAOYSA-N 339.420 2.937 0 50 EFAA Cc1csc(SCC2CCN(C(=O)[C@H](O)C3CCC3)CC2)n1 1775998443 CGVSLJSKDZGAEW-CQSZACIVSA-N 340.514 2.943 0 50 EFAA O=C(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1ccncc1F 1565513482 GOEBEVWKHZRKMH-CYGHRXIMSA-N 326.371 2.597 0 50 EFAA CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)C1 390832845 YHLWSBLDZXHMEZ-RRFJBIMHSA-N 342.505 2.845 0 50 EFAA CN(C)C(=O)[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 735949338 CIGHAQKPZGPAPZ-OAHLLOKOSA-N 335.306 2.657 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1)c1cccs1 275430633 UVWXVWKLBPRYRS-SGMGOOAPSA-N 334.445 2.762 0 50 EFAA Cc1cc(C(F)(F)F)nc(CN[C@H](C)Cn2nc(C)cc2C)n1 1529172231 ASSXCEINFYFGEF-LLVKDONJSA-N 327.354 2.795 0 50 EFAA COc1ccc(CN2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)cc1F 1529105854 ISXULBXTUJYIRJ-KDOFPFPSSA-N 334.391 2.820 0 50 EFAA Cc1nn2c(NC(=O)c3scc4c3CCCC4)csc2nc1=O 1529139818 VHWHMZIPTZEFEB-UHFFFAOYSA-N 346.437 2.652 0 50 EFAA CNC(=O)c1cccnc1NC[C@H](c1ccccc1F)N1CCCC1 1529093963 CJXVCWYVLCCANB-QGZVFWFLSA-N 342.418 2.829 0 50 EFAA CCc1cc(CN2CCCN(C(=O)c3ccncc3Cl)CC2)on1 1800413818 IWXDTVAMMIOOMR-UHFFFAOYSA-N 348.834 2.634 0 50 EFAA C[C@H]1OCCN(Cc2ccc(Br)c(F)c2)[C@@H]1C(=N)O 330551684 SJBFYSUJROJHBB-PELKAZGASA-N 331.185 2.713 0 50 EFAA CC(=O)Nc1ccc(N2C(=O)C[C@@H](NC3CCCCCC3)C2=O)cc1 5043885 BNJCTVOXQGPBNU-QGZVFWFLSA-N 343.427 2.589 0 50 EFAA COc1ccc(-n2nnc(C(=O)NC3CCCC3)c2C)cc1Cl 12274270 ZTHOUPFDWGJRIO-UHFFFAOYSA-N 334.807 2.910 0 50 EFAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cccnc3)C2)c1 12308103 YITODVMWRVMZRP-FQEVSTJZSA-N 326.440 2.907 0 50 EFAA COc1cccc(C[C@@]2(CO)CCCN(C(=O)C3=CCCC3)C2)c1 12387225 MZMWYIVKKKAPNX-FQEVSTJZSA-N 329.440 2.949 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(C)=O)C1 15062813 PWNACXYKBMQEST-QGZVFWFLSA-N 325.355 2.699 0 50 EFAA O=S(=O)(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 16513502 ANRLXOUBRLJDCD-HNNXBMFYSA-N 340.828 2.695 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(c1ccc3cc(Cl)ccc3n1)C2 1857668823 ZFBQCAWNDLPILD-YVEFUNNKSA-N 332.787 2.816 0 50 EFAA C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C(C)(C)C(F)F 408515305 UVXVTNQUUNLGHE-JSGCOSHPSA-N 325.403 2.700 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 225516871 CIFJEBQPRNDQMY-UHFFFAOYSA-N 346.452 2.512 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 112387127 XDSBHBOTJSACQM-CJNGLKHVSA-N 341.386 2.991 0 50 EFAA C[C@@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@H]1COc2ccccc21 237578749 CEDHGSFTFWAHNS-CXAGYDPISA-N 339.391 2.998 0 50 EFAA C[C@@H](NC(=O)Nc1cc(Cl)ccn1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653545727 KOLWZHMPYDDQHK-DVVUODLYSA-N 325.796 2.992 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ncc(Br)cn1 242284662 YIROTMJPDDLSPZ-OLZOCXBDSA-N 346.232 2.797 0 50 EFAA O=C(O)c1cc(C(=O)N(Cc2ccccc2F)CC2CC2)ccn1 659200856 GHNLZPSONHLNSJ-UHFFFAOYSA-N 328.343 2.971 0 50 EFAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)no1 246734516 PAEOTLOSZPGXRW-STQMWFEESA-N 327.306 2.705 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)N(C)C1 344489548 CSHBALIKSGLNRD-HOTGVXAUSA-N 329.444 2.576 0 50 EFAA CCOCCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(OC)cc1)C2 247879990 ITDUUBDBPXGBGU-MSOLQXFVSA-N 346.471 2.545 0 50 EFAA Cc1nn(C)c(C)c1CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 363706118 LZQSPVVJDJGKCW-HXUWFJFHSA-N 339.439 2.628 0 50 EFAA COc1cc(CN[C@@H]2CCC(=O)NC23CCC3)cc(Cl)c1OC 374738641 WVAWFUKCNZOBMT-CQSZACIVSA-N 338.835 2.648 0 50 EFAA Cc1cc(CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)ccc1F 1704340628 KDTWLZOTAOCKKN-LJQANCHMSA-N 326.419 2.986 0 50 EFAA CCc1onc(C)c1NC(=O)NCCc1cccc2c1OCCO2 930574157 RGUSNLHEJOMJHI-UHFFFAOYSA-N 331.372 2.681 0 50 EFAA O=C(NCC[C@H](O)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325842687 FNCGPKVPQBMBLN-AWEZNQCLSA-N 347.390 2.536 0 50 EFAA O[C@@H]1COc2ccccc2[C@@H]1NCc1cnc2ccc(Cl)cn12 2325849388 NYFCKKMZYOGUGT-PBHICJAKSA-N 329.787 2.572 0 50 EFAA CCC[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2F)CCN1 895059273 RSTVAFKTUJIHFP-CYBMUJFWSA-N 340.406 2.533 0 50 EFAA CN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 213275 QKGONMGEFYJKEZ-UHFFFAOYSA-N 328.363 2.976 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 304014 XYCXRTKGPDPRHS-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA CCOC(=O)C1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1 470178 CHVQFVYNANERJK-UHFFFAOYSA-N 331.372 2.943 0 50 EFAA COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl 3348322 FOCSHLKQLOEQJV-UHFFFAOYSA-N 329.747 2.577 0 50 EFAA CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C 4008295 QVJVMNUTCGTBCH-ZDUSSCGKSA-N 335.400 2.656 0 50 EFAA in-vitro Cc1ccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 4165259 ZBAYUXYOKVJVBP-CYBMUJFWSA-N 327.833 2.948 0 50 EFAA COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1OC 4725483 HFOJAHSSAWEDMS-UHFFFAOYSA-N 334.460 2.688 0 50 EFAA O=S(=O)(Cc1ccccc1Cl)NCc1ccc2c(c1)OCO2 4814467 ZCYMBLDZELFPPW-UHFFFAOYSA-N 339.800 2.688 0 50 EFAA CCCCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 4840646 IXYFNNDSWTUSDJ-SECBINFHSA-N 325.463 2.734 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(Cl)cc1 10301816 IRSGQCMLBWRWGI-UHFFFAOYSA-N 329.780 2.966 0 50 EFAA C[C@H](O)CN(C(=O)N[C@H](C)c1cc(Cl)ccc1Cl)[C@H](C)CO 225513464 ZOGOWHOFJXDETF-OUAUKWLOSA-N 349.258 2.828 0 50 EFAA O=C(NC[C@H]1CCNCC1(F)F)N1CCc2ccc(Cl)cc21 418726287 LPXFHDMFBJLJRZ-LLVKDONJSA-N 329.778 2.657 0 50 EFAA Cc1nnc(SCCNC(=O)c2ccccc2N2CCCC2)s1 65428596 REDLASBFPXANHT-UHFFFAOYSA-N 348.497 2.969 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621807 PSSBCZKPPVJWCN-GBESFXJTSA-N 340.467 2.730 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)CCn2c(=O)oc3ccccc32)c1 55271812 FPOCPBVTJRFNOK-OAHLLOKOSA-N 325.412 2.861 0 50 EFAA CCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccccc12 26009374 IJUCELRPTHGELZ-CYBMUJFWSA-N 348.406 2.551 0 50 EFAA Cc1n[nH]c(C)c1CN1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 347997226 MCSXDQRTRYOAOK-INIZCTEOSA-N 345.516 2.970 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)N(C)Cc1ccc2nsnc2c1 65525532 WXMVVPOMELNWBH-UHFFFAOYSA-N 339.424 2.939 0 50 EFAA O=C(NCCc1cccc(Cl)c1)[C@H]1CC(=O)N(C2CCCC2)C1 23612932 XAOAOIOVUVFMNF-AWEZNQCLSA-N 334.847 2.790 0 50 EFAA O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 68199903 FXHHASJVTYRJHH-UHFFFAOYSA-N 346.652 2.999 0 50 EFAA in-vivo O=C(c1ccccc1OC(F)(F)C(F)F)N1[C@H]2CC[C@@H]1CCNC2 65375118 PUJWCVXQGCAWGP-MNOVXSKESA-N 346.324 2.890 0 50 EFAA CCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)n1 252676263 WOTSEPXKOCCNPE-QLFBSQMISA-N 336.480 2.956 0 50 EFAA COC(=O)c1ccc(N)c(CS(=O)(=O)c2ccc(Cl)cc2)c1 170005 XLYOEMBSYOTRMC-UHFFFAOYSA-N 339.800 2.683 0 50 EFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 331547924 IYMDFPDLCCPHFU-GUDVDZBRSA-N 335.492 2.996 0 50 EFAA OCCO[C@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 172301769 SJMFHUHDUQEVBR-ZDUSSCGKSA-N 333.350 2.558 0 50 EFAA O=C(C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCCCC1 77322292 QVCDNLPVOXRQNK-UHFFFAOYSA-N 340.427 2.966 0 50 EFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](NCc1cc(C)nc(C)c1)C2 77523833 RYAVEDMKYUTGKF-OAHLLOKOSA-N 342.443 2.650 0 50 EFAA O=C(NC[C@@H]1CCCS1)N1CCC(OC[C@@H]2CCCCO2)CC1 125155629 WRTYYHTXMXEJSN-HOTGVXAUSA-N 342.505 2.642 0 50 EFAA CCOc1ccccc1NC(=O)[C@H](C)N1CCOCC2(CCC2)C1 363883925 DENCCTCECHFUIH-HNNXBMFYSA-N 332.444 2.915 0 50 EFAA CCc1ncc(NC(=O)N2CCN(c3ccccc3F)[C@H](C)C2)cn1 241707123 QMUXUGMSKVRZNO-CYBMUJFWSA-N 343.406 2.921 0 50 EFAA CC(C)OCC(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 72164181 ZJGOCQUPBJHQSC-LJQANCHMSA-N 345.487 2.567 0 50 EFAA CCn1ncc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1-c1ccccc1 366885356 QYCQARGIBJRRFM-IBGZPJMESA-N 325.412 2.557 0 50 EFAA Cc1noc(C)c1CSCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 127712661 FKRPDIIYXJAUSY-YOEHRIQHSA-N 338.473 2.678 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(=O)OCC)cc1 490704520 LNIBZKJEMCUJNA-CVEARBPZSA-N 344.411 2.663 0 50 EFAA O=C(c1ccc(OC2CCC2)cc1Cl)N1CC[C@](F)(CO)C1 338737688 VIJZGLAQMQOPMU-MRXNPFEDSA-N 327.783 2.818 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@H](CN)C[C@H]2C)c2ccccc12 447244557 LCAVJMDHKLDWHM-KGLIPLIRSA-N 348.468 2.596 0 50 EFAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(Cl)c(Cl)[nH]1 370803966 SHXHZRJGXWNPEF-GFCCVEGCSA-N 338.194 2.546 0 50 EFAA CC(C)(O)CCc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 72408228 KAGZCLLIRDASRF-UHFFFAOYSA-N 346.471 2.807 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 237521795 VPMSLRGGEKNZJR-BLLLJJGKSA-N 340.427 2.813 0 50 EFAA CN(C)CCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 215760626 HQUPYNUGEVERPB-UHFFFAOYSA-N 328.460 2.730 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCc2cccc(Cl)c2C1 458010768 IUAGHXJBRCXLTE-UHFFFAOYSA-N 345.830 2.970 0 50 EFAA C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1ccon1 496115298 PATJOLYNBABLQW-ZDUSSCGKSA-N 349.431 2.926 0 50 EFAA O=C(NCC(F)F)Nc1ccc(Cl)c(F)c1N1CCOCC1 284575583 ZFUUSLUGBNVQIA-UHFFFAOYSA-N 337.729 2.702 0 50 EFAA COc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 263187129 WYNRBHCXCUWQFI-IKGGRYGDSA-N 343.354 2.880 0 50 EFAA OC[C@@H]1CCCCN1CCn1cc(-c2ccc3ccccc3c2)nn1 82098541 RJPFUKILMAIHCU-IBGZPJMESA-N 336.439 2.945 0 50 EFAA COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccncc2F)C1 286349450 BRAFCUDIZDQZRU-CYBMUJFWSA-N 330.359 2.913 0 50 EFAA COc1ccc(C(=O)N2CCCC[C@H]2CCNC(C)=O)cc1Cl 82108464 LGEXLJSEAYLBML-AWEZNQCLSA-N 338.835 2.870 0 50 EFAA CSc1ccccc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 82138307 UXRDTPVCNRCBRR-OAHLLOKOSA-N 334.485 2.735 0 50 EFAA CN(C)CCNc1nccc(-c2cnn(-c3cccc(Cl)c3)c2)n1 20254800 SASDYJOZPHRWFI-UHFFFAOYSA-N 342.834 2.956 0 50 EFAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CCO[C@@H](c2nccs2)C1 222210479 AEUPYRKDAQUNBQ-HZPDHXFCSA-N 343.452 2.536 0 50 EFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)n1 289102473 MDAKQVKTVURBAU-ZDUSSCGKSA-N 336.342 2.597 0 50 EFAA CO[C@H](CNC(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1cccc(Cl)c1 291119928 VODQZFZIPMWLTQ-QCEMKRCNSA-N 338.835 2.582 0 50 EFAA CCN(CC)CCNC(=O)c1ccc(-c2ccc(N)nc2C)cc1 426436526 HBKWEZICQRMAGI-UHFFFAOYSA-N 326.444 2.711 0 50 EFAA O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)C(F)(F)C(F)F 178836805 DLSHEECTMJHJKJ-UHFFFAOYSA-N 347.268 2.503 0 50 EFAA Cc1cnn([C@H](C)C(=O)N2CCC(c3nccn3C(C)C)CC2)c1 95497630 DNTRWLSBOYJLDJ-OAHLLOKOSA-N 329.448 2.936 0 50 EFAA O=C1NCC[C@H]1Sc1nccn1-c1ccc(Br)cc1 179006031 PBIWZINOJYQVIJ-LLVKDONJSA-N 338.230 2.615 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 237948321 ANPCZJHRRDAGMX-SECBINFHSA-N 332.183 2.695 0 50 EFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCC2)C1 95507710 VMQDBCFSVVJAEK-INIZCTEOSA-N 347.507 2.666 0 50 EFAA C[C@H](NC(=O)N(C)C1CCOCC1)c1cnn(-c2ccccc2)c1 426740407 HYNLOZCDTKVUIV-AWEZNQCLSA-N 328.416 2.754 0 50 EFAA CNS(=O)(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c(F)c1 179455425 PRRPGBYMRLSCMO-VIFPVBQESA-N 340.342 2.513 0 50 EFAA CCCCc1nc(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c[nH]1 91365257 OIPLSCVNWYFUAL-NVXWUHKLSA-N 340.475 2.643 0 50 EFAA O=C(NCCCc1ccc(O)cc1)c1cnc(-c2cccnc2)nc1 91657391 VKBFKKYXNIDSRU-UHFFFAOYSA-N 334.379 2.607 0 50 EFAA CCOC(=O)c1c(C=O)n(C)c2cc(Br)c(O)cc12 230535774 BXWWWAXKMWEVPQ-UHFFFAOYSA-N 326.146 2.636 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 239425740 VECLMGKGWXLRCE-PXRSPZQOSA-N 327.509 2.934 0 50 EFAA Cc1ncsc1CCN(C)[C@@H](C(=O)O)c1cccc2c1OCC2 95388192 VCQFYWVXSLJTQI-OAHLLOKOSA-N 332.425 2.687 0 50 EFAA O=C(Nc1ccc(-n2nccn2)cc1)N1CCCC[C@H]1c1cn[nH]c1 180660894 FFTDGBCGYYUFDK-INIZCTEOSA-N 337.387 2.750 0 50 EFAA COc1ccc(CNC(=O)c2cncc3ccccc23)cc1C(=O)O 237329109 NERNRKAVNNUPLI-UHFFFAOYSA-N 336.347 2.872 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN(CCC(=O)N3CCCC3)C2)cc1 95370015 OMOFSNVCIDOKBI-QGZVFWFLSA-N 330.428 2.577 0 50 EFAA Cc1oc2c(c1C(=O)N[C@H]1CC[C@H](n3cnnc3)CC1)C(=O)CCC2 244811349 SBHGRAMURBJLMN-JOCQHMNTSA-N 342.399 2.612 0 50 EFAA COC(=O)C[C@H](C)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 182016297 DUWRFEPURYWZBI-GXFFZTMASA-N 325.792 2.869 0 50 EFAA COC(=O)CC1CCN(C(=O)[C@@H](CCSC)n2cccc2)CC1 263588493 UVIORUKOAIZRLN-OAHLLOKOSA-N 338.473 2.584 0 50 EFAA CCn1ncc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c1C(=O)O 534666220 UAVFBCPKDHCAGD-CYBMUJFWSA-N 329.400 2.661 0 50 EFAA CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CCN(CCOC)CC1 184661966 OQEXDNQPYYNLKJ-LJQANCHMSA-N 345.487 2.644 0 50 EFAA CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nc3ccccc3o2)c1 299799210 DTWZXQRYNRATRI-INIZCTEOSA-N 349.390 2.845 0 50 EFAA Cc1ccc(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)c(C)n1 299772555 BKAVEINBNOBWCJ-UHFFFAOYSA-N 339.439 2.798 0 50 EFAA Cc1n[nH]c(C2CCN(C(=O)Nc3ccc4c(c3)C[C@H](C)O4)CC2)n1 299775694 MSYSIXGSCDFFBG-NSHDSACASA-N 341.415 2.848 0 50 EFAA COc1cccc(-c2cc(CNC(=O)N3C[C@H](C)O[C@H](C)C3)no2)c1 584904139 NOBAQXKWCONYHL-BETUJISGSA-N 345.399 2.669 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)N3CCSCC3)c2n1 584884647 SICHPTLOBWPEDS-UHFFFAOYSA-N 331.441 2.680 0 50 EFAA O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cc(F)c(F)cc1Cl 952852763 RVNFBFMEGKZPDB-CLAHSXSESA-N 341.745 2.849 0 50 EFAA C[C@H](CS(=O)(=O)N(C)C)Nc1cccc(-c2nccs2)c1 1875285156 DUNROARYPHFJIW-LLVKDONJSA-N 325.459 2.502 0 50 EFAA NC(=O)C[C@H](NC(=O)c1c[nH]nc1C1CCCCC1)c1ccccc1 1875258632 XPTJBTMENNVLAM-INIZCTEOSA-N 340.427 2.804 0 50 EFAA Cc1ccccc1[C@@H](CF)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 1875296011 FVPNUILOADFUKG-YLJYHZDGSA-N 340.398 2.580 0 50 EFAA Cc1cc2cc(NC(=O)[C@H](N)C3CCCCC3)ccc2n(C)c1=O 1875315429 ULQWEGOLJHDECB-QGZVFWFLSA-N 327.428 2.693 0 50 EFAA CC(C)(C)c1ccc([C@@H]2NC(=O)CCN(C[C@@H]3CCCO3)C2=O)cc1 1875310946 HKBAADIOOWMSMM-WMZOPIPTSA-N 344.455 2.553 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3sc(=N)[nH]c3C)cc2)c1C 1875357162 VOMRQONVKDSLTA-UHFFFAOYSA-N 327.413 2.919 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCOc2ccc(Cl)cc2)C1 888077752 SFWFDPATIRWFHK-HUUCEWRRSA-N 349.818 2.821 0 50 EFAA C[C@H](NC(=O)C1CCN(C2CCCC2)CC1)[C@H](O)c1ccc(O)cc1 1565508048 YZBWQMHTXNZIIN-LIRRHRJNSA-N 346.471 2.585 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)s1 1565506246 WLCKTLPPBWULJA-HOTGVXAUSA-N 347.436 2.515 0 50 EFAA C[C@]1(CNC(=O)Nc2nc(Cc3ccc(F)cc3)no2)CCCCO1 1364125757 KUGOYWFEEJTFII-QGZVFWFLSA-N 348.378 2.880 0 50 EFAA CN(C)C(=O)c1cnc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(Cl)c1 273277830 IPMBQNITPYVPQE-JSGCOSHPSA-N 339.867 2.670 0 50 EFAA O=C(c1c(O)cccc1F)N1CCC[C@H](c2noc(C3CC3)n2)C1 274711126 UHMMERAILZLTEI-NSHDSACASA-N 331.347 2.812 0 50 EFAA CC(C)(C)c1nc(C(=O)N2CCC(Cn3cncn3)CC2)cs1 275135838 PHMGMGUOOWDYOQ-UHFFFAOYSA-N 333.461 2.585 0 50 EFAA Cn1c([C@H]2CCCN2Cc2cnc3cnccn23)nc2c1CCCC2 275423700 DUPLXRVHFZTPIX-QGZVFWFLSA-N 336.443 2.679 0 50 EFAA CCOc1ccc(CN2CCC3(CC2)[C@H](O)C[C@H]3OCC)cc1F 278463680 PJQYCINIVQCTJN-QZTJIDSGSA-N 337.435 2.976 0 50 EFAA CN1C(=O)CCc2cc(CN3CCO[C@H](c4nccs4)C3)ccc21 186928945 NXNITRLOAFTBDZ-INIZCTEOSA-N 343.452 2.626 0 50 EFAA CC1(C)CNCC[C@H]1NC(=O)Cc1csc(CCC(F)(F)F)n1 638264206 WNWXDITXUPWNFZ-LLVKDONJSA-N 349.422 2.685 0 50 EFAA Cc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1C 188798330 WGXPIBCVCKIMBI-WBVHZDCISA-N 347.503 2.851 0 50 EFAA Cc1cccc(C2(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)CCCC2)c1 726927047 CLDRNWFYKXYSKI-MRXNPFEDSA-N 347.480 2.871 0 50 EFAA Oc1cccc([C@@H]2CN(CC3CCC4(CC3)OCCO4)CCO2)c1 190283875 CLJFFXGASRBAJM-SFHVURJKSA-N 333.428 2.699 0 50 EFAA C[C@]1(CNC(=O)c2cc(Br)cc(C(=O)O)c2)CC1(F)F 659197495 DZYSHURQJMXNPX-GFCCVEGCSA-N 348.143 2.922 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 663048690 KKPAOVXNJQCYCH-LJQANCHMSA-N 341.363 2.717 0 50 EFAA Cc1cc(CN(c2ccc(Cl)cc2F)S(C)(=O)=O)nc(C)n1 663931609 CUYCJESWXDXDTC-UHFFFAOYSA-N 343.811 2.852 0 50 EFAA CCc1cc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)n[nH]1 765994608 PRQNFRBBEUPJDE-NSHDSACASA-N 328.395 2.851 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCOC4(CCNCC4)C3)cc2)o1 1506418220 GCDGPZNENUWAHW-UHFFFAOYSA-N 340.423 2.850 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1OCC)C2 212925544 NQUDIHDEAXYEOA-CABCVRRESA-N 345.443 2.950 0 50 EFAA O=C(c1cccc2cccnc12)N1CCCN([C@H]2CCSC2)CC1 1800409980 MXKWKQBWKHLNSB-INIZCTEOSA-N 341.480 2.888 0 50 EFAA CCc1ccccc1OCCN1CC[C@H](O)[C@@](CC2CC2)(C(=O)O)C1 1704338963 ATFSCRUCTODSJD-ICSRJNTNSA-N 347.455 2.566 0 50 EFAA CC(=O)N(C)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 149741998 ZTHNAEKJMXOGLM-SJORKVTESA-N 334.847 2.913 0 50 EFAA O=S(=O)(c1cc2ccccc2s1)N1CCC[C@H](C2(O)CC2)C1 1772816530 TVHRSKGWSVOLAJ-ZDUSSCGKSA-N 337.466 2.827 0 50 EFAA O=C1CCN(C[C@H]2CC=CCC2)CCN1CCOc1ccccc1 12283281 MIEQWOQBFKOGGH-SFHVURJKSA-N 328.456 2.956 0 50 EFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(CCCn2cccn2)C1 12458320 NAJLLUPPFVQDIC-INIZCTEOSA-N 341.411 2.597 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 12459576 AUQXYIJTBHWRPR-CYBMUJFWSA-N 348.472 2.879 0 50 EFAA CCC(CC)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 14960838 BULIZFQMTIVKQB-KRWDZBQOSA-N 332.492 2.841 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(CC[C@H]1CCOC1)CC2 1857695800 YNFDIPOMNQGVMH-INIZCTEOSA-N 325.456 2.914 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)on1 236898313 UBXAWDVLZYVGOX-IAQYHMDHSA-N 328.368 2.840 0 50 EFAA Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(C)c1 337138461 FWIGCAULXBIEBF-GUDVDZBRSA-N 331.456 2.624 0 50 EFAA COc1ccc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)c(OC)c1 253417976 WDQOVTVEGFXYTQ-KRWDZBQOSA-N 342.443 2.897 0 50 EFAA CN(C)c1ncc(CN2CCC[C@H]2c2cccc3c2OCCO3)cn1 253417484 CHIKKXWIIYCTHU-INIZCTEOSA-N 340.427 2.651 0 50 EFAA C[C@H]1COCCCN1C(=O)NCc1nc2cccc(Cl)c2n1C 681327495 DWQRWRYPHRHWGE-NSHDSACASA-N 336.823 2.547 0 50 EFAA COC[C@@H](C)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 264620756 RBLHLDPVQFDRQY-MLGOLLRUSA-N 325.836 2.895 0 50 EFAA C[C@H](NC(=O)c1sccc1Cl)c1cccc(S(N)(=O)=O)c1 163112868 ZXHXBTNFGOEEPV-QMMMGPOBSA-N 344.845 2.540 0 50 EFAA C[C@H]1CN=C(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)S1 819775685 FIWJXHAJCBRZEC-NSHDSACASA-N 339.420 2.905 0 50 EFAA O=C(O)c1cccc(OCCN2CCCC[C@H]([C@@H]3CCOC3)C2)c1 903961599 COFWSYZWFVCXNN-DLBZAZTESA-N 333.428 2.902 0 50 EFAA CC(C)COc1ccccc1-c1noc([C@]23CNC[C@H]2CCOC3)n1 904564969 VWOYRYKYLBQRKC-KUHUBIRLSA-N 343.427 2.649 0 50 EFAA Cc1nn(C)c(Cl)c1CN(C)C(=O)c1sccc1CN(C)C 846025288 DIMQJYMBCVRPQK-UHFFFAOYSA-N 340.880 2.777 0 50 EFAA CCCCn1nc(CC(C)C)c2c(NC[C@@H]3COCCO3)ncnc21 2100482921 GKKJQYXZZHIMGE-CQSZACIVSA-N 347.463 2.652 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(=O)O 16623236 KRYFJDTYHYNXQP-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA COC(=O)[C@@]1(NC(=O)c2cnc(N)c(Cl)c2)CCCC(C)(C)C1 2325758693 HRUHCKNHRZMOLT-MRXNPFEDSA-N 339.823 2.559 0 50 EFAA O=C(O)[C@H]1Cc2c(F)cccc2CN1Cc1noc2c1CCCC2 2325787223 KODSASBEANQZLJ-MRXNPFEDSA-N 330.359 2.704 0 50 EFAA CN1CCN(c2cc(-c3noc(CCC4(C)CC4)n3)ccn2)CC1 904104619 VBHZMKIMUYOUAA-UHFFFAOYSA-N 327.432 2.616 0 50 EFAA COc1c(S(=O)(=O)NCc2ccncc2)ccc(Cl)c1Cl 309857 SVNGKUAICOOSND-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)N1CCCCC1 381884 DUEJSRHOKPORQZ-UHFFFAOYSA-N 336.457 2.605 0 50 EFAA CN1C(=O)[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 565342 MFHVDJWVQFUXAH-NRFANRHFSA-N 346.386 2.914 0 50 EFAA aggregator CCCCOC(=O)Cn1c(=N)n(CCN(CC)CC)c2ccccc21 1761538 AIFVERIOCINDRO-UHFFFAOYSA-N 346.475 2.607 0 50 EFAA CCCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1 3908989 GPRZQORZJBECKJ-UHFFFAOYSA-N 340.383 2.677 0 50 EFAA CCCCN1C[C@@H](C(=O)Nc2nnc(CC(C)(C)C)s2)CC1=O 8271344 ZDXPSFOHTUOLDW-NSHDSACASA-N 338.477 2.714 0 50 EFAA CCSc1nnc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)s1 8968859 PTRYPDPVTDWPJX-HNNXBMFYSA-N 349.437 2.760 0 50 EFAA COc1ccccc1N1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 55564331 ZLGWQXQPUDQDQQ-MRXNPFEDSA-N 345.487 2.655 0 50 EFAA COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)S1 23115082 IDORCFZPNOJAMP-ZWEPEPIOSA-N 330.446 2.622 0 50 EFAA O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1C[C@@H]2CCC[C@H]2C1 247063750 IRELJGMLXQZTOR-OBJOEFQTSA-N 334.366 2.576 0 50 EFAA Cc1cncc(C(=O)NC[C@@H]2CCCN(Cc3cccc(O)c3)C2)c1 67788678 KZBRXWSPQBMIPJ-KRWDZBQOSA-N 339.439 2.738 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)N1C[C@H]2CCCN2c2ccccc21 248061938 DFMGOYGYXOPHHK-LSDHHAIUSA-N 335.473 2.595 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N(Cc2nccn2C)C2CC2)c1 54039247 GBYIRUZZVHKQOF-UHFFFAOYSA-N 326.400 2.573 0 50 EFAA C[C@H](CCN1CCC(n2cc(CCO)nn2)CC1)c1ccccc1 55073063 QFOKJUWNFGNLOY-MRXNPFEDSA-N 328.460 2.644 0 50 EFAA Cc1ccc(C)c(N([C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 10363630 JSKCMOFBMWAYEG-AWEZNQCLSA-N 338.473 2.517 0 50 EFAA C[C@@H](NCCC(=O)Nc1cccnc1)c1cnn(-c2ccccc2)c1 65432274 IBLRMOHNLRETPH-OAHLLOKOSA-N 335.411 2.947 0 50 EFAA CCN(CC)Cc1nnc2sc(COc3ccccc3OC)nn12 61722204 ODWXBDRJQXIKAU-UHFFFAOYSA-N 347.444 2.615 0 50 EFAA OCC[C@@H]1CN(Cc2cccs2)CCN1Cc1ccccc1F 23153349 RLEHUGSIKMYDKN-MRXNPFEDSA-N 334.460 2.956 0 50 EFAA Cc1ccccc1CN1CCN(CC(=O)Nc2ccccc2F)CC1 20418602 NBUCPUMTTUWPBU-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA COc1ccc(OC)c2c1CN(Cc1ccc3cn[nH]c3c1)C[C@H]2O 121084758 IDHFDWNFDMQGCX-MRXNPFEDSA-N 339.395 2.629 0 50 EFAA CCN1CCN(c2ccccc2CNCc2cnccc2OC)CC1 353609374 NGEXWNLJWIOEEK-UHFFFAOYSA-N 340.471 2.522 0 50 EFAA CCn1nc(C)c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C 67895304 DASXZBYIEYMFEC-UHFFFAOYSA-N 339.443 2.772 0 50 EFAA Cn1cnnc1[C@@H]1CN(Cc2cccc(Cl)c2Cl)CCO1 328640766 QECSMBBLXKTXCL-LBPRGKRZSA-N 327.215 2.695 0 50 EFAA C[C@]1(C(=O)N2CCCN(Cc3ccccc3F)CC2)CCCCO1 77354530 NANLXSKHFCKDGR-LJQANCHMSA-N 334.435 2.819 0 50 EFAA CCc1ccc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)s1 72479935 CRGGHMJECQTCPU-AWEZNQCLSA-N 336.501 2.883 0 50 EFAA Cc1nc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@H](O)C2)cs1 219760457 FISALXVPAFFEAG-VBQJREDUSA-N 344.436 2.628 0 50 EFAA Cc1nc([C@H]2CCCN2S(=O)(=O)c2cncc(F)c2)cs1 330016509 PQQAKWYQPUCMPN-CYBMUJFWSA-N 327.406 2.511 0 50 EFAA C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@@]2(CCOC2)C1 253392539 NVTAGBXGVHLGOU-SJCJKPOMSA-N 349.431 2.897 0 50 EFAA Nc1ncnc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1Cl 253418091 JKSOKASOTXWLDR-STQMWFEESA-N 336.798 2.944 0 50 EFAA CC(=O)NCc1ccc([C@H]2CCCN2c2ccc(C(C)=O)cn2)o1 253427477 AIYNPCXPDQWXIX-MRXNPFEDSA-N 327.384 2.855 0 50 EFAA Cc1nn(CC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c(C)c1C 216004330 RDSSGCGWGBMUGO-MRXNPFEDSA-N 346.500 2.651 0 50 EFAA O=C(CCc1cccc(F)c1F)Nc1cnn(C[C@H]2CCCO2)c1 363679299 PAVNNUFKDGBLSX-CQSZACIVSA-N 335.354 2.912 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)c1c[nH]nc1-c1ccoc1)[C@H]2C 366058005 MHIKIBBQVROEOP-NSHDSACASA-N 340.387 2.602 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCn1cccn1 77524341 ANRRBXXYZXTRGV-OAHLLOKOSA-N 327.384 2.697 0 50 EFAA Cc1nc(CO[C@@H]2CCN(c3ccnc4c3cnn4C)C2)cs1 377180637 VRBWWGIFTVAGBA-CYBMUJFWSA-N 329.429 2.529 0 50 EFAA C[S@@](=O)C1(CNC(=O)Nc2cc(-c3ccccc3)ns2)CC1 282322486 SMCXBRODMDZUAM-JOCHJYFZSA-N 335.454 2.843 0 50 EFAA Cn1nnc2c1C[C@@H](C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)CC2 333517614 VMZBTMYZYFZDKU-MAUKXSAKSA-N 338.455 2.920 0 50 EFAA CC[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)[C@H]1CCCO1 128423258 XEFGIKKWJJHIED-QWHCGFSZSA-N 333.413 2.713 0 50 EFAA c1ccc(CN2CCC[C@H]3CN(c4cncc5nncn45)CC[C@@H]32)cc1 368058421 KKDKBIYBZFMUTC-ROUUACIJSA-N 348.454 2.615 0 50 EFAA C=CC(=O)NCCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 490645033 KMIKFHPNTOPCDY-CQSZACIVSA-N 346.818 2.572 0 50 EFAA O=C(O)c1ccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)cc1 237950954 MSKYGVUCTRUPJT-WHWKNOJMSA-N 327.336 2.591 0 50 EFAA CCN(CC)c1ncc(CNc2ccnc(C(=O)N(C)C)c2)s1 285163478 LTQWHIYOZWHOBC-UHFFFAOYSA-N 333.461 2.698 0 50 EFAA Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccnnc4C)C3)[nH]c2c1 372228982 RWGDQGQTNGVOPR-CQSZACIVSA-N 335.411 2.990 0 50 EFAA CCCCNC(=O)[C@H](C)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 495656273 ITDMGYVDRLTIOK-KSSFIOAISA-N 341.496 2.528 0 50 EFAA O=C(CCN1Cc2ccccc2C1)N1CCC[C@@](CO)(CC2CC2)C1 219558817 RMBOVPULVUQMJN-OAQYLSRUSA-N 342.483 2.794 0 50 EFAA CC(=O)c1cc(CN2CCC(C(=O)O)(n3cc(C)cn3)CC2)cs1 77388379 PACJVIUTEXFHJA-UHFFFAOYSA-N 347.440 2.532 0 50 EFAA O[C@H](C[C@H]1CCCN1Cc1ncnn1-c1ccccc1)c1ccco1 241776884 RTINWWJNGQJVIS-IAGOWNOFSA-N 338.411 2.948 0 50 EFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccncn1)O2 216280652 CDNGCVADEPZMPT-IBGZPJMESA-N 341.411 2.508 0 50 EFAA OC[C@]12CCCN[C@@H]1CCN(Cc1cccc(-c3ccccn3)c1)C2 72162359 PITPRVWNNRPKOT-NHCUHLMSSA-N 337.467 2.685 0 50 EFAA Cc1ccc(-c2ccccc2CN2CCCN(S(C)(=O)=O)CC2)o1 219963341 BHAXRFNQTXYEMK-UHFFFAOYSA-N 348.468 2.722 0 50 EFAA O=C(CSCC1CC1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 219393261 ZKVGHROPLCZRQE-SFHVURJKSA-N 349.500 2.592 0 50 EFAA O=C(NCC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 77356400 BALIVOYXLZCVHA-INIZCTEOSA-N 326.371 2.572 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C)c3ncc(C)cc32)c1C 1440113753 SQGGPXVUIFBZSG-UHFFFAOYSA-N 326.400 2.634 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286313927 NRIDSFBNSHIDFD-IPMKNSEASA-N 341.407 2.949 0 50 EFAA CC(C)(C)OC(=O)NC[C@@](C)(NCc1nc(C(F)F)no1)C1CC1 497283831 DQTNKAUOEMUGTC-OAHLLOKOSA-N 346.378 2.790 0 50 EFAA CCOCCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222425778 WMJQXTIYDFBEGK-KJXMEXGPSA-N 328.412 2.590 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 222887297 HYTDYNDVBNGEPD-AWEZNQCLSA-N 337.379 2.694 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)cc1 82096868 VXMKLRAALVZGAA-OAHLLOKOSA-N 338.407 2.887 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 177329850 FTCJAKHXPIHBMY-DOTOQJQBSA-N 341.411 2.736 0 50 EFAA O=C(NCc1csc(Cc2ccccc2)n1)N1CCC[C@@H](CO)C1 426421904 OXHDRPKHGCMJRK-OAHLLOKOSA-N 345.468 2.648 0 50 EFAA O=C(NCc1ccncc1)NCc1ccc(O)c(Br)c1 178103720 PDWJMZICWKTRGJ-UHFFFAOYSA-N 336.189 2.549 0 50 EFAA Cc1[nH]c2c(c1C(=O)NCc1cn3c(C)cccc3n1)C(=O)CCC2 221329623 JAUSBUSZVDDCPP-UHFFFAOYSA-N 336.395 2.728 0 50 EFAA C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 195599698 KZGUSOORCRPXRT-WWGRRREGSA-N 336.457 2.702 0 50 EFAA C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2cn(C)cn2)C1 178206253 QCEQDBRENHUUPR-HZPDHXFCSA-N 340.471 2.828 0 50 EFAA Cc1ccc2cc(C(=O)N3CCC(OCCCN)CC3)c(C)nc2c1 162224369 GJIJPVQOQSNUOJ-UHFFFAOYSA-N 341.455 2.822 0 50 EFAA CCN(CCN1CCCC1)C(=O)c1cc(-c2ccccc2)nn1C 97569015 IKDLCTMOYIAWSG-UHFFFAOYSA-N 326.444 2.645 0 50 EFAA CN(C(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCNC1 179065522 OVOCWYFWNIMVFZ-MRXNPFEDSA-N 328.387 2.839 0 50 EFAA Cc1nsc(C)c1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 292186851 HLZGNFDKNOFTTF-ZDUSSCGKSA-N 341.440 2.822 0 50 EFAA Cc1cc(CC(=O)N[C@@H]2CCc3cc(Br)ccc32)n[nH]1 267971457 PXZPHTRRGSQLRL-CQSZACIVSA-N 334.217 2.827 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)NCc1cnc(C)cc1C 96138938 NWEQKEDHCQBTJD-UHFFFAOYSA-N 340.427 2.699 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@@H]3CCc4[nH]ncc4C3)oc2c1 91986608 ROVBPOYDNZZNRU-GFCCVEGCSA-N 325.368 2.760 0 50 EFAA CCN1C[C@H](C(=O)NCCSc2ccc(Cl)cc2)CCC1=O 91552045 JXMBYKLGKSVQKP-GFCCVEGCSA-N 340.876 2.807 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@@H]2N)cc1 92065631 YYWOCPFIUOCECL-MOPGFXCFSA-N 347.418 2.810 0 50 EFAA CN(CCCc1nccn1C)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95361348 WBEIMDRLZQNGOS-GOSISDBHSA-N 340.471 2.592 0 50 EFAA Cc1nnsc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91350919 SJEUUYCYDUDVJD-GDBMZVCRSA-N 342.468 2.583 0 50 EFAA Cc1cc(C(=O)N(C)CCn2ccc3ccccc32)c(=O)n(C)c1C 97813747 NIQROLDBLWEOPX-UHFFFAOYSA-N 337.423 2.729 0 50 EFAA CO[C@H]1CCN(c2cc(N)nc(SCc3ccc(C)cc3)n2)C1 95503313 YSWUKNZLVXTINP-AWEZNQCLSA-N 330.457 2.885 0 50 EFAA Cc1cnccc1CN1CCCN(C(=O)c2cccc(F)c2)CC1 294616512 XPTWKOUQPWVNHD-UHFFFAOYSA-N 327.403 2.877 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4csnc4N)C3)nc2c1 299779953 QCUVIJXSXDINQM-LLVKDONJSA-N 341.440 2.930 0 50 EFAA Cc1ccc([C@]2(C(=O)NCC3CCS(=O)(=O)CC3)CC2(C)C)cc1 299779567 WDFCJGKSNSVZOO-IBGZPJMESA-N 349.496 2.604 0 50 EFAA C[C@H](CN1CCN(C)CC1)NCCc1nc(-c2ccccc2)cs1 584885748 KFPILLUOIJUVFR-MRXNPFEDSA-N 344.528 2.578 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(F)ccc(F)c4C3)n[nH]c21 1875293600 WIFDBLCWMYSPNJ-ZJUUUORDSA-N 347.365 2.909 0 50 EFAA CC(=O)c1cnc2ccccc2c1C(=O)NC[C@]1(CO)CC12CCC2 1875296822 QQWWAWXEADEVSM-FQEVSTJZSA-N 338.407 2.720 0 50 EFAA COCC(=O)Nc1ccc(OCc2cnc(C(C)(C)C)nc2)cc1 1875269959 BPPWBLGGTGBPHZ-UHFFFAOYSA-N 329.400 2.938 0 50 EFAA CCC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)CC1 952984119 HYTAFMWLBPEWSC-AWEZNQCLSA-N 332.444 2.829 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N[C@H]3COC4(CCNCC4)C3)cc2)o1 952978380 XOSBIKZAZISTEB-QGZVFWFLSA-N 340.423 2.896 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](C)c1cc2n(n1)CCC2 886080018 KRGAWGFQKGBVQE-ZRGWGRIASA-N 343.475 2.864 0 50 EFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CC2CCN1CC2 1142635170 HFINGOMNXJFOBY-MRXNPFEDSA-N 346.862 2.749 0 50 EFAA O=C(N[C@H]1CCOC12CCCCC2)c1ccnn1CC(F)(F)F 888311429 FZVWFLJVHXUVTE-LBPRGKRZSA-N 331.338 2.667 0 50 EFAA Cn1c(C(=O)N2CC[C@@](CF)(C(=O)O)C2)c(Cl)c2ccccc21 1775990552 BZCNYYRQTFZKNW-INIZCTEOSA-N 338.766 2.718 0 50 EFAA C[C@@H](NC(=O)[C@@H](C)n1nnnc1C(C)(C)C)c1ccc(F)cc1F 272189050 FHOKCUXSFDVZDE-NXEZZACHSA-N 337.374 2.687 0 50 EFAA CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-n2cnnn2)cc1 186399379 DWUGHXBKIQHXAE-GOSISDBHSA-N 347.422 2.568 0 50 EFAA CCOC(=O)c1nc(C2CCN(c3nc4ccccc4o3)CC2)n[nH]1 277993507 NAZLWVMDIMSBEY-UHFFFAOYSA-N 341.371 2.507 0 50 EFAA Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@@H](C3OCCO3)C2)c1 170623030 GAJLOXQLSNXEBL-QGZVFWFLSA-N 347.455 2.992 0 50 EFAA C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc3ncnc(O)c3n2)C1 641301390 FITPFMVRYBYXGG-MGPQQGTHSA-N 327.432 2.572 0 50 EFAA CCc1cc(C2CC2)nc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1 191842962 VKMYPPHOMQHBCH-UHFFFAOYSA-N 349.460 2.570 0 50 EFAA Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCCCNC2=O)s1 193825616 QXUUXERJFSMHJK-CYBMUJFWSA-N 329.425 2.517 0 50 EFAA CCS(=O)(=O)C1CCN(c2ncc(C)cc2Br)CC1 194330567 GCYNIBRZMXEIOF-UHFFFAOYSA-N 347.278 2.556 0 50 EFAA CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc3cc[nH]c3c2)CC1 194823818 NECKCQAKQRAIJW-UHFFFAOYSA-N 349.456 2.605 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 663051240 CESWOIMIJHIXPU-FXAWDEMLSA-N 339.391 2.947 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)nc(O)n1 1506413693 TYUQZRCMONJABQ-MRXNPFEDSA-N 326.400 2.753 0 50 EFAA CCCc1nc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)no1 1704359583 TZTKAOPRPNXPGE-RHSMWYFYSA-N 338.411 2.610 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2cc(Br)cs2)C1 136112142 GUEYQLROJZJBMJ-VIFPVBQESA-N 346.246 2.766 0 50 EFAA CCOc1ccc(CC(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1 1565522161 JMBQIRYCGVMFFA-QGZVFWFLSA-N 348.512 2.668 0 50 EFAA O[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1Cc1cnccn1 1615733391 ILYYWPRCAILQPN-LRDDRELGSA-N 338.238 2.819 0 50 EFAA CN(C)CC1(CO)CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 1772701168 IOSSDVRGDYMDED-UHFFFAOYSA-N 348.384 2.981 0 50 EFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(C4CCC4)C[C@@H]32)cc1 12203268 ACLSSMSKPMVPFW-ZWKOTPCHSA-N 330.428 2.685 0 50 EFAA O=C(C1=CCCC1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12307980 UQRBFYZQQZUHGH-INIZCTEOSA-N 328.412 2.971 0 50 EFAA COc1cccc2c(C)nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc12 13549102 MQQVRXIQODROFW-UHFFFAOYSA-N 337.383 2.653 0 50 EFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1 13670437 YEPBZVTUARYKSG-QGZVFWFLSA-N 342.480 2.900 0 50 EFAA CCOC(=O)c1cnn(-c2ccc(C)cc2)c1CNCc1ccon1 14953020 LHWHSBUTNLDVCV-UHFFFAOYSA-N 340.383 2.635 0 50 EFAA Cc1ccsc1C(=O)NCCc1nnc(SCC(C)C)n1C 14989934 IVKJDQBOPJLILP-UHFFFAOYSA-N 338.502 2.906 0 50 EFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cc(C)sc1C 1857680517 OWQIAFDXDHWRSH-CFVMTHIKSA-N 329.487 2.679 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(C[C@H]1CCCOC1)CC2 1857699164 PYZPSYAOUBFNNY-MRXNPFEDSA-N 325.456 2.914 0 50 EFAA CC[C@@H](C(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1)c1ccccc1 1857738187 WFCVDNSUUIYQGI-INDMIFKZSA-N 330.472 2.794 0 50 EFAA OC[C@]1(c2ccccc2)CCCN(c2ncnc3c2ncn3C2CC2)C1 330295767 JORZWBXYNQZDBK-FQEVSTJZSA-N 349.438 2.692 0 50 EFAA O=C(NCc1cn2ccsc2n1)[C@H]1C[C@]12CCOc1ccccc12 332899677 UFTVDLYBVUNOPD-KDOFPFPSSA-N 339.420 2.752 0 50 EFAA O=C(CCCc1csc2ccccc12)N1CCC[C@@](O)(CO)C1 457911700 IQLAYZJNTTZMAQ-SFHVURJKSA-N 333.453 2.570 0 50 EFAA CCOC(=O)c1sc(NC(=O)C2CC(F)(F)C2)c(C(=O)O)c1C 818229503 VMXBDIVRBMFSSB-UHFFFAOYSA-N 347.339 2.915 0 50 EFAA Cc1nc(-c2cccc(NC(=O)c3cccn4c(O)nnc34)c2)[nH]c1C 378569869 HXRNQVDJVKSNIF-UHFFFAOYSA-N 348.366 2.694 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(=O)O)cc2)s1 263205901 ZCSLCTLBNMLGMA-VIFPVBQESA-N 334.397 2.714 0 50 EFAA Cc1nn(CC(F)F)cc1C(=O)N1CCCC[C@@H]1c1cncn1C 936022962 LGBOBFYLUYHGIH-CYBMUJFWSA-N 337.374 2.558 0 50 EFAA CC1(C(=O)Nc2ccnn2Cc2ccccc2C(F)(F)F)COC1 2100534394 GKOLFQGLTZTSDD-UHFFFAOYSA-N 339.317 2.925 0 50 EFAA O=S(=O)(N[C@@H]1CCCC[C@@H]1NCc1ccco1)c1ccccc1 317243 OWODGFDXSCAERM-DLBZAZTESA-N 334.441 2.659 0 50 EFAA NC[C@@H]1Cc2cc(F)ccc2N(Cc2ccc(-n3cccn3)nc2)C1 2325774261 XVPBOIWEPPAIBQ-HNNXBMFYSA-N 337.402 2.544 0 50 EFAA Cn1nc(CN2CCC[C@@H](c3nc(C(=O)O)cs3)C2)cc1C1CC1 2325797619 IYPKKXBVKZAJRM-GFCCVEGCSA-N 346.456 2.832 0 50 EFAA O=C(c1cc2sc(Cl)cc2s1)N(Cc1nn[nH]n1)C1CC1 2325806929 OPJZGXRLSRKJHK-UHFFFAOYSA-N 339.833 2.934 0 50 EFAA CNC(=O)c1ccsc1NC(=O)N1CCC[C@H]1C1CCOCC1 1426288549 FWICUTSBOQGKIE-ZDUSSCGKSA-N 337.445 2.531 0 50 EFAA COc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1 352104 RIFQOTPGDNQCTB-DOMZBBRYSA-N 342.317 2.948 0 50 EFAA Cc1cc(N2CCN(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1 1556940 NBVBJTYUHRBBTF-UHFFFAOYSA-N 342.834 2.505 0 50 EFAA in-vitro Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc4c3COC4)C1)CC2 2356141771 OYTIPLYLDQZMMM-OAQYLSRUSA-N 349.434 2.935 0 50 EFAA CCC[C@@]1(CO)CN(C2CCN(c3ccc(C)cc3)CC2)CC[C@@H]1O 2356157618 OFSKHGADSZPYCN-SFTDATJTSA-N 346.515 2.809 0 50 EFAA CCCCCc1nc(-c2ccnn2C(C)C)n(C[C@H]2COCCO2)n1 2356162313 HHLWDQXGXGWZBY-HNNXBMFYSA-N 347.463 2.871 0 50 EFAA COc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C)c1 6699251 UOZACQWHGXICQU-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 6700948 SHVAUIMXCHYGON-LBPRGKRZSA-N 336.388 2.619 0 50 EFAA CCc1nn(C)cc1CNC(=O)[C@](O)(CC)c1cccc(Cl)c1 225736008 DINZOYDUYHHHAA-KRWDZBQOSA-N 335.835 2.550 0 50 EFAA C[C@@H]1CN(C(=O)COc2cccc(C=O)c2)C[C@@H](c2ccccc2)O1 113155929 UDDPKOKSFGRJLD-BEFAXECRSA-N 339.391 2.867 0 50 EFAA CC1CCN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)CC1 9341315 FGGZRESRWJDTRU-UHFFFAOYSA-N 332.419 2.936 0 50 EFAA O=C(O)COc1cccc(C(=O)N2CCc3c(F)cc(F)cc3C2)c1 345810841 SKVANZISQTVSPS-UHFFFAOYSA-N 347.317 2.627 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1 55374396 GWKOSVNUWISQIM-IRXDYDNUSA-N 336.501 2.880 0 50 EFAA CC(C)CC[C@@]1(C2CCNCC2)NC(=O)N(Cc2ccoc2)C1=O 67817692 BYISRFWNMONCTE-SFHVURJKSA-N 333.432 2.506 0 50 EFAA CC(=O)N1CCC[C@H](CNc2ccc(-c3nc(C(C)C)no3)cn2)C1 20166225 IQENWGZFIQRZJX-CQSZACIVSA-N 343.431 2.925 0 50 EFAA CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 67604736 YBUSLVZMACNHOF-UHFFFAOYSA-N 338.816 2.525 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2ncc3cccnc32)o1 65375310 ZQHKIFPZHJTCCX-UHFFFAOYSA-N 348.318 2.995 0 50 EFAA COC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@H](CN2CCCCC2)C1 229355795 BIHQECPOLIGWMJ-YJBOKZPZSA-N 334.435 2.848 0 50 EFAA Cn1nccc1C(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 11772780 BPKLNBIGDONBKM-FQEVSTJZSA-N 344.503 2.929 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331926106 MGZDNPQHDWDERD-PXAZEXFGSA-N 347.365 2.574 0 50 EFAA O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC[C@@H]2COC[C@@H]21 1365449026 UTJOEYJIQSMLQT-OCCSQVGLSA-N 344.333 2.906 0 50 EFAA CCCc1cc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)nc(C)n1 65404804 GUWSMJNAYFSAJW-INIZCTEOSA-N 345.535 2.590 0 50 EFAA CCCOc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)c1 121583832 VZYXFAZJGHHQOT-UHFFFAOYSA-N 342.487 2.917 0 50 EFAA CC(C)(N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 236798905 ZQHNIYBJFICVCT-UHFFFAOYSA-N 327.158 2.948 0 50 EFAA Cc1ccc(OC2(C(=O)N[C@H](C)c3cccnc3)CCNCC2)cc1 65373016 MWGKRQMLBPFHDW-MRXNPFEDSA-N 339.439 2.768 0 50 EFAA Cc1cc(C)cc([C@H](O)CNC(=O)NCC2CCN(C3CC3)CC2)c1 252509493 YORWVECUTPMSMA-LJQANCHMSA-N 345.487 2.510 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)C1 252668052 DTHQRHNGNIEYER-BZUAXINKSA-N 325.497 2.563 0 50 EFAA COc1ccc(CC2CCN(C(=O)c3cc(OC)no3)CC2)cc1 124283168 XQTVWULQAZMMJG-UHFFFAOYSA-N 330.384 2.787 0 50 EFAA Cc1[nH]nc(CCC(=O)N2CCO[C@H](CCc3ccccc3)C2)c1C 71752791 MAZIJUIAVARDFK-GOSISDBHSA-N 341.455 2.819 0 50 EFAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCCNc1cccc(Br)c1 330372901 CFFXDACZMNZAFJ-WDMOLILDSA-N 341.249 2.791 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)c1scc2c1OCCO2 214972855 OQYSCZBBZMGLKJ-CYBMUJFWSA-N 331.393 2.563 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2c(C)nn(C)c2Cl)c1 282242486 PZAMEGUPMPCHQZ-CZUORRHYSA-N 335.835 2.698 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2COc3c(C)cccc3C2)no1 332874056 PUXUUHMBJFBIHF-LSDHHAIUSA-N 342.399 2.537 0 50 EFAA COc1nccnc1N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77300120 WVAMINUCHBHUFX-IBGZPJMESA-N 346.475 2.740 0 50 EFAA CCn1nccc1CCN1C[C@@H](C(=O)OC)C[C@H](c2ccccc2)C1 253392768 GFUKPEWUTIMGGK-ROUUACIJSA-N 341.455 2.724 0 50 EFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ccnc(N)c4)C3)nc12 77356705 GTDMJPOKSBSRBS-AWEZNQCLSA-N 335.411 2.868 0 50 EFAA O=S(=O)(Nc1cnoc1-c1ccccc1)c1cn2c(n1)CCCC2 253425744 MRFGYECYUGQNHO-UHFFFAOYSA-N 344.396 2.675 0 50 EFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc2c(c1)CCCN2 77535416 YXSKCQYPBMHKFC-INIZCTEOSA-N 330.428 2.503 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3c(C)noc3C)C2)c1 77471442 BNAODHDSEMMLBG-CYBMUJFWSA-N 330.384 2.938 0 50 EFAA O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCN(C3CCCCC3)CC1)C2 155045211 LTRQUYPTSCNDME-HOTGVXAUSA-N 332.488 2.859 0 50 EFAA Cn1ccnc1[C@H]1C[C@H](NC(=O)NC2CCC3(CC2)CC3)CCO1 333636088 IAZBWNFKDOTVDN-HUUCEWRRSA-N 332.448 2.662 0 50 EFAA COc1ccc(C(=O)CCC(=O)N2CCC(NCC3CC3)CC2)cc1 237426948 WEYGGHDRBDZJES-UHFFFAOYSA-N 344.455 2.649 0 50 EFAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 366893192 OQISHJGEPWAMMI-MRXNPFEDSA-N 336.399 2.573 0 50 EFAA CCc1ccc2occ(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)c2c1 377323373 MJCRDNLGCCSDCD-DCGLDWPTSA-N 326.396 2.721 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 158935362 PJLKBLDZOOFLMR-CYBMUJFWSA-N 332.835 2.597 0 50 EFAA O=C1CCCC[C@@H](Cc2nc(-c3c(Cl)nc4ccccn34)no2)N1 377471652 JTKGUZOOWFSAQX-JTQLQIEISA-N 345.790 2.639 0 50 EFAA CN(C)c1noc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)n1 451148460 UXCKQTLWXVNFSB-UHFFFAOYSA-N 342.321 2.813 0 50 EFAA CC[C@H]1[C@H](CO)CCN1CC(=O)Nc1ccccc1C(F)(F)F 451259593 SXLAUQGGOAMLDN-FZMZJTMJSA-N 330.350 2.737 0 50 EFAA Cc1cccc(C)c1OC1CN(Cc2ccc(OCCO)cc2)C1 72161908 ODFJQISARGKWBY-UHFFFAOYSA-N 327.424 2.938 0 50 EFAA Nc1cc(N[C@H]2CCCN(c3nc4ccccc4s3)C2)ncn1 72448156 SREHLXAZMCONOU-NSHDSACASA-N 326.429 2.749 0 50 EFAA COc1cccc([C@H]2CCCCN2C(=O)c2cc(CO)ccn2)c1 215768340 ZADHNTIGSCVFNY-GOSISDBHSA-N 326.396 2.950 0 50 EFAA O=C(c1nc2cccnc2s1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375721701 WFQUOLJDYXDDDT-KRWDZBQOSA-N 343.383 2.564 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 375967692 DWCLZYNLZGAHAM-OAHLLOKOSA-N 338.411 2.550 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 245689954 ARCVNIDFLREJME-BBRMVZONSA-N 327.428 2.906 0 50 EFAA COCCN1C[C@]2(CCCN(Cc3ccc(OC)cc3)C2)CCC1=O 77407049 CMKYIWKZLSSKFW-HXUWFJFHSA-N 346.471 2.546 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cncc(C(F)(F)F)c2)C1 263441346 PUPXWNBEKATIJC-SNVBAGLBSA-N 330.306 2.817 0 50 EFAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccccc1-n1cccn1 177123943 OZAPFKBVOJYZMK-HUUCEWRRSA-N 325.416 2.573 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc4[nH]ccc4c3)[C@H]2C1 426506676 NQUSFMJLAXDVKE-HHXXYDBFSA-N 328.412 2.967 0 50 EFAA O=C(Cn1c(C(=O)O)cc2ccccc21)Nc1cccc(C(=O)O)c1 45796119 XHWJPWJJEYFILR-UHFFFAOYSA-N 338.319 2.676 0 50 EFAA Cc1cnn(CCCNC(=O)c2cccc(-c3cnc(N)c(C)c3)c2)c1 426669002 KTOIMNAVGWRRNG-UHFFFAOYSA-N 349.438 2.964 0 50 EFAA C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@@H]1CCNC1 179082719 JFSOKPLEJFGQRY-WMLDXEAASA-N 339.439 2.665 0 50 EFAA CCc1ccc(CN2CCc3c(C(=O)NCCF)csc3C2)nc1 426443344 NLVNJBVDPAPABS-UHFFFAOYSA-N 347.459 2.963 0 50 EFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1N 97823594 FGVQUTFKMWMKHU-ICSRJNTNSA-N 337.398 2.899 0 50 EFAA CCOCn1cc(NC(=O)NCCCc2nc(C)c(C)s2)cn1 96149094 ZCLZVWGROPPWAQ-UHFFFAOYSA-N 337.449 2.705 0 50 EFAA CC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 95372004 MEYXIZDUQFYKDY-KRWDZBQOSA-N 326.444 2.943 0 50 EFAA Cn1cccc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91594322 WSDICRIRLXCFPG-UHFFFAOYSA-N 349.438 2.685 0 50 EFAA CC1(C)Cc2cc(CN3CCC(O)(Cn4ccnc4)CC3)ccc2O1 97679849 RTKCKDLXPXEVFF-UHFFFAOYSA-N 341.455 2.624 0 50 EFAA CCCCn1nc(CC2CCN(C)CC2)nc1CN1C[C@@H]2CC[C@H]1C2 96139737 LFOSGXITFVMFAA-MSOLQXFVSA-N 345.535 2.947 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1nccs1 162796203 JUAVRQFZHATYFN-OLZOCXBDSA-N 349.460 2.950 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(Cc2ccc(F)c(OC)c2)C1 91780523 KTNLNCJUQJMPHU-GOSISDBHSA-N 339.407 2.928 0 50 EFAA O=C(NCCCn1nnc2ccccc21)c1ccc2ncsc2c1 97156020 KECZASMJFGHYGB-UHFFFAOYSA-N 337.408 2.861 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H](c1cccc(F)c1)N(C)C 91781372 YSZLAFNPLUBRJX-KRWDZBQOSA-N 332.423 2.517 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2ccccc2n1 244678844 ILEQVKXPDMDJOA-DOXZYTNZSA-N 333.391 2.872 0 50 EFAA CO[C@@H](C(=O)NC(C)(C)C(=O)NCC1CCCCC1)c1ccccc1 182844653 FQWSVSOJTZNRAY-QGZVFWFLSA-N 346.471 2.965 0 50 EFAA O=C(O)c1coc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 183752093 FYVWBYZISKEEPY-UHFFFAOYSA-N 342.351 2.856 0 50 EFAA C[C@@]12C3=C(CCCC3)[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253587966 ARABCTRWRNZYMF-WIRSXHRWSA-N 347.418 2.973 0 50 EFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCCN(c2ccccc2)C1 184340145 UXQAHHRMVOSBAK-CQSZACIVSA-N 336.399 2.520 0 50 EFAA C[C@@H](CN1CCCC1)NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 534676818 CIGFESBFXDNDNT-HNNXBMFYSA-N 341.459 2.702 0 50 EFAA C[C@@H](NC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 364098083 APVULDHOKDOGBQ-OAHLLOKOSA-N 341.411 2.898 0 50 EFAA Cc1nn(C(C)C)c(C)c1CNC(=O)c1cc(C(C)(C)C)nc(O)n1 299761737 AAKBDLLPRPGTFH-UHFFFAOYSA-N 345.447 2.804 0 50 EFAA C[C@@H](O)C(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 299778467 QMEZXIGONGKXEA-MRXNPFEDSA-N 338.451 2.815 0 50 EFAA Cc1c(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)ccn1C 299768131 HSYMDTZGNBEWFJ-SFHVURJKSA-N 325.456 2.976 0 50 EFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1CCOc2ccccc21 653330403 FBWCEQWLXIRPBY-GVDBMIGSSA-N 337.375 2.982 0 50 EFAA Cn1cc(CCC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cn1 828057218 SHNADYKXBYSLML-GOSISDBHSA-N 343.427 2.939 0 50 EFAA COc1cc(C(=O)N[C@H](C)c2nncn2C(C)C)nc2ccccc12 824615061 OINYIRQXAZKAAU-GFCCVEGCSA-N 339.399 2.907 0 50 EFAA CN(CC[C@H](O)c1ccccc1)C(=O)NCc1cnc2c(c1)CCC2 584893098 FUSLVBPJGSOMFT-IBGZPJMESA-N 339.439 2.835 0 50 EFAA CC1(NS(=O)(=O)c2cc(Cl)ccc2C(=O)O)CC(F)(F)C1 872002133 SPRIJSXLAAEVQC-UHFFFAOYSA-N 339.747 2.504 0 50 EFAA O=C1CCC2(CC1)C[C@@H]2C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 1875309217 YMEAQPVUJPNAAT-QKLQHJQFSA-N 345.414 2.557 0 50 EFAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1c1nnc(C2CC2)o1 1875327363 WLEOLSQEDBOMSM-JKSUJKDBSA-N 327.384 2.848 0 50 EFAA Cc1ccccc1-c1cnc(NC(=O)C2(C3(O)CNC3)CCC2)s1 1875368985 LGXRXFYCFSDEBB-UHFFFAOYSA-N 343.452 2.562 0 50 EFAA Nc1ccc(O)cc1C(=O)NCCC1CCN(C2CCCC2)CC1 952860410 OZBVKZKVIYKXIX-UHFFFAOYSA-N 331.460 2.749 0 50 EFAA CCOc1cccc(CN(C)C(=O)/C=C/c2cnc(N(C)C)nc2)c1 952964957 CGPKMTOMWKRFFI-MDZDMXLPSA-N 340.427 2.613 0 50 EFAA C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886050422 OHRWGSMAQGVYTC-CRAIPNDOSA-N 326.444 2.753 0 50 EFAA O=S(=O)(Cc1ccc(Br)cc1)Nc1cccnc1 16578720 JMDXWUNZIGRSRP-UHFFFAOYSA-N 327.203 2.786 0 50 EFAA CCn1cc(C(=O)N[C@H](C)c2ncc(C)o2)c(C2CCOCC2)n1 888075994 MOLVLRKNCMTTQF-GFCCVEGCSA-N 332.404 2.584 0 50 EFAA CS(=O)(=O)C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 270372245 NAAIUFAFMYJIDM-NSHDSACASA-N 345.346 2.693 0 50 EFAA O=C(NCc1ccc[n+]([O-])c1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 1775994208 YLMUMUPQWAOALR-CUWPLCDZSA-N 336.435 2.985 0 50 EFAA CCOC(=O)c1[nH]c(C2CCN(CC3CCOCC3)CC2)nc1C 1775985599 KQUQZCSMCZFSLZ-UHFFFAOYSA-N 335.448 2.501 0 50 EFAA C/C(=C\c1ccc(C)cc1)C(=O)N1CCCC[C@@H]1Cc1nn[nH]n1 1775987671 QHXWKABASLUSKI-WSYSLRRZSA-N 325.416 2.535 0 50 EFAA COCc1nc(CN2CCc3c(C)cccc3[C@@H]2C(=O)O)cs1 1777241708 XMIFLTKNWYZOMS-MRXNPFEDSA-N 332.425 2.782 0 50 EFAA CN(C)CCn1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)n1 170644154 WSNLIXJZNJURIT-XLIONFOSSA-N 338.455 2.677 0 50 EFAA COc1ccc(OS(=O)(=O)CCc2ccc3c(c2)CCO3)cc1 170603685 WMNBYNWKCFBZQA-UHFFFAOYSA-N 334.393 2.581 0 50 EFAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC12CCC2 170654308 NKDPBPVSQNAABB-CHWSQXEVSA-N 338.448 2.902 0 50 EFAA C[C@]1(CNC(=O)NC[C@@H]2CC[C@H](O)C2)CCCN1Cc1ccccc1 170608293 DIYSTTZUZVZMFR-WSTZPKSXSA-N 345.487 2.501 0 50 EFAA CSc1ccccc1CN(C)S(=O)(=O)C[C@H]1CCCCO1 280183187 FAHAGRNTTWEWGI-CQSZACIVSA-N 329.487 2.739 0 50 EFAA COC[C@@H]1CN(C(=O)N[C@@H](C)c2cc(C)sc2C)C[C@H](C)O1 187320788 LXCUVAOUGKNHDM-JKOKRWQUSA-N 326.462 2.871 0 50 EFAA CC[C@H](CO)N1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 194567096 ZDFFEAIXFDAYAU-MRXNPFEDSA-N 331.287 2.924 0 50 EFAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 195203243 COMDHNOZCVWEMO-VSZNYVQBSA-N 331.435 2.950 0 50 EFAA Cc1cnc(OC2CCN([C@H](C(=O)O)c3ccsc3)CC2)nc1 656190901 IKATYDGFBZYXKR-AWEZNQCLSA-N 333.413 2.516 0 50 EFAA COC[C@@H]1[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C)[C@H]2CCO[C@@H]12 1074598611 VCQOUHFLUHBCQX-MCPWVCTESA-N 348.830 2.909 0 50 EFAA Cc1cccc(C)c1C(=O)NCc1cnc(N2CCOCC2)s1 786151710 IANQAVJMAXUPRO-UHFFFAOYSA-N 331.441 2.527 0 50 EFAA CCn1ncc(CN(C)c2cc(C(=O)N3CCCCC3)ccn2)c1C 1506411301 YDPKITTYFBAGMY-UHFFFAOYSA-N 341.459 2.869 0 50 EFAA Cc1nc(N2CCCC2)nc(NC2CCN(C(=O)C3CC3)CC2)c1C 1704352044 OLKIKJDDBNEMQW-UHFFFAOYSA-N 343.475 2.507 0 50 EFAA Cc1nn(C)cc1C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212232297 RNYKICOJJWIKNO-QUCCMNQESA-N 349.434 2.872 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 5016931 IWLLGOKRZUHQBC-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA CCN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 11874640 GVHIPEQHPCFDKI-FQEVSTJZSA-N 343.515 2.843 0 50 EFAA COc1cccc2c(C)cc(S[C@H](C)C(=O)N3CCOCC3)nc12 11907480 ZRNUOWKQMWNRJH-CYBMUJFWSA-N 346.452 2.891 0 50 EFAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccnc2)CC1=O 15826690 MHTJWNLEFPWQOQ-NSHDSACASA-N 345.786 2.735 0 50 EFAA Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)s1 16648954 NJKYDMUAGVMTHB-SNVBAGLBSA-N 341.364 2.549 0 50 EFAA Cc1ccsc1CN1C[C@H]2[C@@H](C1)OC(=O)N2Cc1ccccn1 19810580 AWSJDMSTRDVRPO-LSDHHAIUSA-N 329.425 2.657 0 50 EFAA O=C1C[C@@H]2C[C@H]1[C@H](C(=O)Nc1c(O)ccc(Br)c1F)C2 1857530597 HAAZWBNHLVERJH-GJMOJQLCSA-N 342.164 2.848 0 50 EFAA c1ccc([C@H]2CN3C[C@H](Nc4cc(C5CC5)ncn4)C[C@H]3CO2)cc1 1857717350 LUIJVPASXVSXQC-ZIFCJYIRSA-N 336.439 2.980 0 50 EFAA C[C@@H](c1nc2c3ccccc3ncn2n1)N1C(=O)c2ccccc2C1=O 225401563 ZBOCHIUDKDCGBX-NSHDSACASA-N 343.346 2.635 0 50 EFAA CCS(=O)(=O)c1ccc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1 225517799 ZYHMOIALDHSROS-KBPBESRZSA-N 338.473 2.682 0 50 EFAA Cc1cc(NC(=O)[C@@H]2OCCc3ccccc32)ccc1C(=O)N(C)C 122465076 YBAFLYHUDYHGKF-GOSISDBHSA-N 338.407 2.949 0 50 EFAA C[C@H]1COCC[C@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 444256666 ASVJHTAYUHTMJB-DOTOQJQBSA-N 339.439 2.556 0 50 EFAA Cc1nn(-c2ccccc2)cc1CNC1CCN([C@H]2CCOC2)CC1 655750964 IEHWSTUTAMDNNU-FQEVSTJZSA-N 340.471 2.524 0 50 EFAA C[C@@H]1CC(CNC(=O)NCc2nnc(C(C)(C)C)s2)C[C@@H](C)O1 252499271 RYBYREIWRNLWAA-GHMZBOCLSA-N 340.493 2.838 0 50 EFAA CCOc1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc1OC 257175451 PETLAGROAMQKQD-IBGZPJMESA-N 349.471 2.990 0 50 EFAA O=C(c1ccc(OC(F)F)cc1)N1CC[C@@H](Oc2ccccn2)C1 366270487 HHYHPUZSEDXWSP-CQSZACIVSA-N 334.322 2.977 0 50 EFAA C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@H](c2ccco2)C1 162958631 RUFLIPAMQMRCPW-RISCZKNCSA-N 328.372 2.779 0 50 EFAA COc1ccccc1C(C)(C)c1noc([C@]2(C)CCNC(=O)C2)n1 904058520 HSPHZDORHSFRET-GOSISDBHSA-N 329.400 2.572 0 50 EFAA CC1(C)[C@H](CNC(=O)Cn2cc(C(=O)O)c3ccccc32)C1(F)F 909986368 IEVKYPHOMWTJIP-ZDUSSCGKSA-N 336.338 2.747 0 50 EFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 4113682 UPPGSAICZSYHAR-MRXNPFEDSA-N 348.399 2.675 0 50 EFAA O=C(CCCc1ccc(C2CC2)cc1)NC1(c2nn[nH]n2)CCCC1 2325762225 ZLKWVYAEMGHTCL-UHFFFAOYSA-N 339.443 2.986 0 50 EFAA Cc1nc2ccc(N(C)C(=O)[C@H](N)CCc3ccncc3)cc2s1 2325768544 UDZWBSMTKWRBJU-OAHLLOKOSA-N 340.452 2.923 0 50 EFAA O=C(CCc1cncnc1)N[C@@H]1CCO[C@H](c2cccc(F)c2)C1 2325799381 RRVZHIYNQSSZFO-SJORKVTESA-N 329.375 2.585 0 50 EFAA O=C([C@H](F)CC1CC1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 2325821717 UKXKJTCBMKEXOH-ZMSDIMECSA-N 332.419 2.634 0 50 EFAA COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1 4716 VNRNJNRVACIMAP-GOSISDBHSA-N 329.440 2.782 0 50 EFAA Cn1nc(CC(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O 99522 GKJQDCXRYVIUGL-UHFFFAOYSA-N 327.771 2.768 0 50 EFAA CC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 502462 GMDNIXHZOYNMAW-HNNXBMFYSA-N 346.770 2.614 0 50 EFAA O=S(=O)(O)Oc1c[nH]c2ccc(Br)c(Cl)c12 2169495 KZKSBQXQOQUOQO-UHFFFAOYSA-N 326.555 2.765 0 50 EFAA in-vitro Cc1cccc(N[C@@]2(C(F)(F)F)NC(c3ccccc3)=NC2=O)n1 2416936 XASNKYCGWLTPPC-OAHLLOKOSA-N 334.301 2.637 0 50 EFAA COc1cc(CN2CCC[C@@H](OC)C2)cc(-c2cnn(C)c2)c1OC 2356163762 QBTDNDAVEXRYKH-MRXNPFEDSA-N 345.443 2.715 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[C@H](C)CC 4838303 LRMUJRYIEHYNGR-CYBMUJFWSA-N 327.446 2.620 0 50 EFAA COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc1OC 6742248 IGPCJVJBACPIDN-VVUBSENTSA-N 333.384 2.779 0 50 EFAA COc1cccc(C2(F)CCN(c3cc4nncn4c(C)n3)CC2)c1 413264870 IPJDRZPQBQWZPB-UHFFFAOYSA-N 341.390 2.907 0 50 EFAA c1cc(Cc2noc([C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)no1 225595367 JSIDLDGECJWQRT-OLZOCXBDSA-N 325.324 2.691 0 50 EFAA CCn1ncc2ccc(NC(=O)c3n[nH]c4ccccc4c3=O)cc21 111585236 ASOOTLVSGTYEJR-UHFFFAOYSA-N 333.351 2.545 0 50 EFAA Cc1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C 20996434 JUCFLXFQKVHNEJ-KRWDZBQOSA-N 326.444 2.805 0 50 EFAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)C1 248120839 KCRPUEOUHVMPFG-PVAVHDDUSA-N 332.492 2.540 0 50 EFAA O=C(NCC[C@H]1CCCN(Cc2cccc(O)c2)C1)c1ccccn1 67673226 RJFCKKKHJCRUSQ-MRXNPFEDSA-N 339.439 2.819 0 50 EFAA CCc1ncsc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 137038320 KODGCHSFUZQBGC-UHFFFAOYSA-N 340.412 2.946 0 50 EFAA Cc1ncsc1CCN(C)CCN1CCN(c2ccccc2)CC1 172597159 UWHPOIKFKPTMAZ-UHFFFAOYSA-N 344.528 2.748 0 50 EFAA O=[S@@](CCN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 229296336 FGTADYBRGHGTPG-MYYSRTQBSA-N 345.468 2.934 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1ccc(F)cc1 229553552 OALARIFGUOPABV-AEFFLSMTSA-N 347.434 2.753 0 50 EFAA O=C(NC1c2ccccc2-c2ccccc21)c1cc2n(n1)CCCNC2 65372184 RHPRGQZCJXPZTD-UHFFFAOYSA-N 344.418 2.876 0 50 EFAA CN(CC(=O)Nc1ccccc1Cl)[C@H]1Cc2ccccc2[C@H]1O 252512059 LYTVXXXOVXQSNM-FUHWJXTLSA-N 330.815 2.869 0 50 EFAA CN1CCC[C@@H](CNC(=O)c2ccc(O)nc2)[C@H]1c1cccs1 252506087 PHFPLPQHAIPSJV-LRDDRELGSA-N 331.441 2.662 0 50 EFAA c1ccc(-c2noc(CCNC3CCC4(CCNCC4)CC3)n2)nc1 67688459 IHLWEOVKISLXLO-UHFFFAOYSA-N 341.459 2.576 0 50 EFAA CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1 2868801 LSNJVDJDJDLRBL-UHFFFAOYSA-N 348.468 2.765 0 50 EFAA O=C([C@H](O)c1ccccc1Cl)N1CC(Oc2ccc(F)cc2)C1 216396421 AWYGXWSOTHTXIK-MRXNPFEDSA-N 335.762 2.802 0 50 EFAA CCCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC2 5952052 DFXAVKMYRGNKHM-UHFFFAOYSA-N 339.413 2.997 0 50 EFAA Cc1nnc2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cn12 437273199 ZDCPXFUIAZUQGG-BXUZGUMPSA-N 328.322 2.602 0 50 EFAA O=C(c1ccnn1CC(F)F)N1CCC[C@H](Nc2ccccc2)C1 253426945 JITNANGFPSSDQA-AWEZNQCLSA-N 334.370 2.865 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(O)cc(O)c1 152907057 VXEDSOIMFQDNNH-ZDUSSCGKSA-N 332.787 2.760 0 50 EFAA Cc1nn(C)c2ncc(C(=O)N[C@@H](C)CCc3ccc(O)cc3)cc12 156074888 FXKWEDUKQZEPTI-LBPRGKRZSA-N 338.411 2.733 0 50 EFAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccncc1 75733976 YQLYWCVFZMQRPL-KRWDZBQOSA-N 328.412 2.938 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1cnc2cnccn12 372417263 VAXZLDMBLNKEAI-ZDUSSCGKSA-N 330.823 2.762 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1c2ccccc2C[C@H]1C(N)=O 375122013 XXEOSGSUKIJEDD-KRWDZBQOSA-N 334.375 2.727 0 50 EFAA O=C(O)c1ccnc(-c2ccnc(COc3cccc(F)c3)n2)c1 71755529 YJDGYEFLNFPBAZ-UHFFFAOYSA-N 325.299 2.955 0 50 EFAA Cn1cc(NC(=O)CN2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 72145073 YGFZZNQIZKNALP-QGZVFWFLSA-N 342.443 2.552 0 50 EFAA Cn1cnnc1[C@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72447171 VMEYCPOKCOBGNA-SFHVURJKSA-N 342.487 2.898 0 50 EFAA CCc1nc(N[C@H](Cn2ccnc2)C(C)(C)C)c2cnn(C)c2n1 72163201 BUVQGHKHXNCDPO-CYBMUJFWSA-N 327.436 2.649 0 50 EFAA CCn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(C(F)(F)F)n1 263433032 NYUHMCNWTCECSB-JTQLQIEISA-N 347.337 2.639 0 50 EFAA Cc1nc(C)c(CNC(=O)c2cc3ccccc3n(C)c2=O)s1 426438887 ODLYROZZVFQZBE-UHFFFAOYSA-N 327.409 2.542 0 50 EFAA CC(C)NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2nccs2)C1 222212943 DYOQJUKLXFVFOQ-HZPDHXFCSA-N 345.468 2.782 0 50 EFAA COCCN(Cc1sccc1C)C(=O)NCCc1nccs1 426381396 DXIPSLZXFDMEHS-UHFFFAOYSA-N 339.486 2.914 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1 178984561 ZONAOTYEQKQVIM-KXMPLOMGSA-N 329.263 2.592 0 50 EFAA Cc1cc2ccccc2n1CCNC(=O)c1ccccc1-n1cnnc1 426484405 GFVGLBUBQXPUCT-UHFFFAOYSA-N 345.406 2.960 0 50 EFAA Cc1cc(C)c(NC(=O)NCCN2CCCC[C@@H]2CO)c(Cl)c1 96133769 OUJDVGNJYWDMCY-CQSZACIVSA-N 339.867 2.925 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc2[nH]nnc12 97155609 UFICYQDRUJKXRQ-UHFFFAOYSA-N 327.392 2.642 0 50 EFAA CN(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 237224312 SHUAXTWABVUPTH-GHMZBOCLSA-N 331.290 2.622 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)C1CCC(F)(F)CC1 179448491 GJPZWMIZBLBMLW-NSHDSACASA-N 343.399 2.898 0 50 EFAA Cc1cccc(-n2cc(-c3cn(Cc4ccc(CO)cc4)nn3)cn2)c1 91756257 UNNBCDAKDYPROB-UHFFFAOYSA-N 345.406 2.980 0 50 EFAA CC(C)C(=O)N1CCCN(C(=O)c2cnc3ccccc3c2)CC1 293817381 UTPNAFKANMDNBM-UHFFFAOYSA-N 325.412 2.565 0 50 EFAA Cc1coc(-c2cccc(NC(=O)N3CCC[C@@H](CC(N)=O)C3)c2)n1 162670316 QDOXEVSEEJXBHK-ZDUSSCGKSA-N 342.399 2.769 0 50 EFAA C[C@@H](C1CCN(c2cc(C(=O)N3CCCCC3)ccn2)CC1)N(C)C 96131605 VVJGDZGSSTVHRP-INIZCTEOSA-N 344.503 2.874 0 50 EFAA Cc1cnccc1N1CCC(c2nccn2CCCN(C)C)CC1 95382804 JRNQAUIYJNWLPL-UHFFFAOYSA-N 327.476 2.922 0 50 EFAA O=C(NCCN1CCC[C@H](CO)C1)C1(c2ccccc2)CCCCC1 244873370 WOYJXXUXNXYKTN-SFHVURJKSA-N 344.499 2.709 0 50 EFAA COC[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 296371479 GYPHDZFVAOHNSX-LPHOPBHVSA-N 345.443 2.568 0 50 EFAA C1COC([C@@]23[C@H]4[C@H]5[C@@H]6[C@H]7[C@@H]8[C@@H]9C[C@H]([C@@H]%10[C@@H]9[C@H]7[C@H]5[C@@H]%102)[C@@H]3[C@@H]2C[C@H]8[C@H]6[C@@H]24)O1 257359409 ZZFVTYMUVPUEQZ-MTMRLWACSA-N 334.459 2.737 0 50 EFAA CCc1oc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)cc1C 299743582 LLWJGMWZPKHUAL-AWEZNQCLSA-N 328.416 2.924 0 50 EFAA CC(C)=CCN1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO 36385728 IGOJKWAEYOPVQD-MRXNPFEDSA-N 346.500 2.526 0 50 EFAA CN(Cc1cnc(-c2ccccc2)s1)C(=O)CCCn1cncn1 827884158 JDXAWSIKORCYAU-UHFFFAOYSA-N 341.440 2.840 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCc1noc(C2CCCC2)n1)N(C)C 823652644 UQPKYYOKNCELLY-QGZVFWFLSA-N 342.443 2.955 0 50 EFAA CO[C@H]1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 584900517 GVNNCRCYXLMQAC-LBPRGKRZSA-N 335.791 2.925 0 50 EFAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(F)ccc(F)c2[nH]1 952962017 WHDSDHVNZIQVJK-MLGOLLRUSA-N 349.381 2.869 0 50 EFAA Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952890722 YTBHMMCIWJLXGS-CABZTGNLSA-N 327.310 2.717 0 50 EFAA COc1ccc(C2=NO[C@@H](CN[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)cc1F 952876942 IUMZHSGHCWXQFL-QISBLDNZSA-N 348.418 2.730 0 50 EFAA CCN(C(=O)[C@@H]1CC[C@H](CCC(=O)O)O1)c1ccc2[nH]ccc2c1 872727843 UCVZVUSWJBDFBL-ZBFHGGJFSA-N 330.384 2.933 0 50 EFAA NC[C@H]1CCCC12CCN(C(=O)[C@@H](O)c1ccc(C3CC3)cc1)CC2 1875277966 QXWBTXLPXQAIRD-MOPGFXCFSA-N 342.483 2.965 0 50 EFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C2CCCC2)C1 1875266236 MDZINTJXFNUEKI-ZWKOTPCHSA-N 344.455 2.992 0 50 EFAA Cc1cc(C)nc(C(=O)Nc2cccc(NS(=O)(=O)C3CC3)c2)c1 1875299150 AYHFXORDXKNZJN-UHFFFAOYSA-N 345.424 2.855 0 50 EFAA C1CCc2c(nnn2CCN[C@H]2CCC[C@@H](C3CCOCC3)C2)C1 1875404781 USFBVQOUHHYYDF-SJORKVTESA-N 332.492 2.732 0 50 EFAA COC1(OC)CC2(CN(Cc3c4c(nn3C)CCCC4)[C@@H]2C(C)C)C1 877871900 WWONUEXNKHSIGE-GOSISDBHSA-N 347.503 2.908 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCc2ccc3c(c2)CCO3)C1 888102877 SFBMRTRQYIHDFH-MSOLQXFVSA-N 341.455 2.966 0 50 EFAA O=[S@@](Cc1cc(Br)cs1)c1n[nH]c(C2CC2)n1 1772112177 JUJJZTNCECZLEG-KRWDZBQOSA-N 332.248 2.814 0 50 EFAA Cc1cccc(Oc2ccccc2NC(=O)N[C@H]2CCNC[C@@H]2O)c1 1565506170 OWSUISNVIKYVRI-RDJZCZTQSA-N 341.411 2.632 0 50 EFAA COC1(CO)CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 401874214 DKCRXZLXBUAYQB-UHFFFAOYSA-N 333.215 2.999 0 50 EFAA Cc1ccc(CCS(=O)(=O)Nc2cccc(CC(=O)O)c2)cc1 408515740 TXHBMCIWZGEMDY-UHFFFAOYSA-N 333.409 2.607 0 50 EFAA FC(F)(F)c1cnc(N2CCN(Cc3ccccn3)CC2)s1 276873719 KJMGWDVOYYXSAD-UHFFFAOYSA-N 328.363 2.879 0 50 EFAA CCc1nc2ccccc2n1C1CCN(C(=O)C2(O)CCC2)CC1 170084174 KBLFZYZDOSSOMI-UHFFFAOYSA-N 327.428 2.677 0 50 EFAA CC1(C)[C@H]2CC=C(COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)[C@@H]1C2 170593102 QKMNDRCSCWNVAZ-NUXNZHGMSA-N 335.469 2.976 0 50 EFAA O[C@]1(Cn2ccnn2)CCCN(c2ccnc3ccc(Cl)cc23)C1 671430952 WWPJDBHLDYMSFI-QGZVFWFLSA-N 343.818 2.511 0 50 EFAA O=C(CCOc1ccccc1Br)NCc1nccs1 170650600 FWADYEBRLKTFLO-UHFFFAOYSA-N 341.230 2.991 0 50 EFAA Cn1ccc2cccc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)c21 188988997 AESPGWZNSFGITM-HNNXBMFYSA-N 337.379 2.993 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1F 648579776 USNRMCNRVDKPTK-KRWDZBQOSA-N 340.398 2.913 0 50 EFAA O=C(CCN1CCCC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 1506416585 WZKUJRASCJILGQ-UHFFFAOYSA-N 345.531 2.585 0 50 EFAA CCc1ccccc1C(=O)N1CCCN(C[C@@H]2CCCN2CC)CC1 1529181068 JVVADHQLFPHHOO-IBGZPJMESA-N 343.515 2.881 0 50 EFAA O=C(O)COc1ccc(C=Cc2ccncn2)cc1Br 1857531753 AWDZDNHJIZTSCM-UHFFFAOYSA-N 335.157 2.873 0 50 EFAA OCCN(Cc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 11816347 RSGLMLXXMDLJJF-UHFFFAOYSA-N 341.386 2.794 0 50 EFAA COCC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 15064321 IVMILCNPVCLFMF-UHFFFAOYSA-N 339.317 2.627 0 50 EFAA N=c1cc(-c2nccn2[C@H](CCn2cncn2)c2ccccc2)cc[nH]1 1857682566 JOLZYXOETOYXPZ-QGZVFWFLSA-N 345.410 2.629 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1N 3885505 GYPWNSMTTFOWFB-UHFFFAOYSA-N 331.319 2.671 0 50 EFAA in-vitro CCn1cnnc1[C@H]1CN([C@H]2CCCc3ccc(F)cc32)CCO1 328633429 LZPZHDKSOQTHOE-DLBZAZTESA-N 330.407 2.888 0 50 EFAA O=C(c1csc(-c2ccoc2)n1)N1CCC[C@H](Cn2ccnn2)C1 124841697 SONBDDIZWGNXRJ-LBPRGKRZSA-N 343.412 2.547 0 50 EFAA C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1 237573197 AFDLRHGJOLCIDA-FZMZJTMJSA-N 328.343 2.937 0 50 EFAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CCCNCC1 237877490 WOWFBGMKNPDJOZ-UHFFFAOYSA-N 346.862 2.637 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 238021771 QWVVJJIJDXNDCO-CQSZACIVSA-N 339.395 2.861 0 50 EFAA CC[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1cccc(Cl)c1 338262620 QXEYEBOEABGCAY-ZDUSSCGKSA-N 330.775 2.969 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccn(C(C)C)n1)CCO2 253432884 PJXVTEUWBUVKAZ-UHFFFAOYSA-N 343.383 2.680 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cnnn2-c2ccccc2)C[C@H]1c1ccccc1 901889804 HGTBOSUFRRVZHY-RBUKOAKNSA-N 348.406 2.568 0 50 EFAA CCNC(=O)c1cc(NCc2c3c(nn2C)CCC3)nc2ccccc12 902069048 ZHDWZLWBJVGVFN-UHFFFAOYSA-N 349.438 2.819 0 50 EFAA Cc1ccc(CS(=O)(=O)NC(=O)C[C@@H]2OCc3ccccc32)cc1 847711122 JCSHIYDCDZEWBW-KRWDZBQOSA-N 345.420 2.603 0 50 EFAA CC(C)n1ncc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1N 252497266 QCQZAJAVWWBRJB-UHFFFAOYSA-N 343.475 2.687 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OCC)c1 4380862 GBFMQHDABIEVIW-MRXNPFEDSA-N 348.399 2.762 0 50 EFAA COc1cc(F)c(S(=O)(=O)N2CCc3ccccc32)cc1OC 4751750 QUTVQOATTIQUCF-UHFFFAOYSA-N 337.372 2.594 0 50 EFAA COc1cc(C)cc(C(=O)Nc2ccc(N3CCNCC3)cc2)c1C 2325775052 UORVOPIVLCUFCG-UHFFFAOYSA-N 339.439 2.974 0 50 EFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@@H]2CCCO2)s1 2325781224 ZCPYMSVYRQPFFV-AAEUAGOBSA-N 346.456 2.657 0 50 EFAA Cc1cc(-n2cccn2)nc(N2CCC(c3ccccc3CN)CC2)n1 2325789232 FZFBMHFUYPEQPY-UHFFFAOYSA-N 348.454 2.813 0 50 EFAA CO[C@@]1(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CCCOC1 2325791533 METPEDKBZGXKLS-SFHVURJKSA-N 329.400 2.623 0 50 EFAA C[C@]1(CO)COCCN(C(=O)c2ccccc2Oc2ccccc2)C1 2325801041 RXEFTDTZPHXAHY-FQEVSTJZSA-N 341.407 2.950 0 50 EFAA N[C@@H](CNC(=O)c1ncc2ccccn12)c1cc(F)cc(Cl)c1 2325857603 IJAUKJAIIATOEM-AWEZNQCLSA-N 332.766 2.557 0 50 EFAA CCN(CC)CCCN1C(=O)CS[C@H]1c1ccc2c(c1)OCO2 182301 QTXWWNASIXBEBM-KRWDZBQOSA-N 336.457 2.721 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1 221431 JWIOKRWTZDBPKX-UHFFFAOYSA-N 344.411 2.785 0 50 EFAA O=C(c1ccccc1O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 436189 GITNYGIPTKRVPM-YGRLFVJLSA-N 328.290 2.645 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 456492 TVYJWGVDNJQAHQ-LLVKDONJSA-N 325.792 2.764 0 50 EFAA CCOC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 815482 YSSZCWYOIJUSDN-UHFFFAOYSA-N 327.783 2.823 0 50 EFAA O=C(C(=O)N1CCOCC1)c1c(-c2ccccc2)cc2ccccn12 1774844 YSSLWUQWTYMCLU-UHFFFAOYSA-N 334.375 2.648 0 50 EFAA Cc1c([C@@H](O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 2159905 CBWIRKNOTYTLFV-LLVKDONJSA-N 335.618 2.888 0 50 EFAA CCCCOc1ccccc1C(=O)N1CCC[C@@]12CCCNC2=O 2356144456 YXFWWOVQEVLESX-LJQANCHMSA-N 330.428 2.750 0 50 EFAA CCCCOCc1cc(C(C)=O)ccc1OC[C@@H](O)CNCCC 4566909 AJJIRCZLPNCESC-SFHVURJKSA-N 337.460 2.945 0 50 EFAA CN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 4981347 UVLWLYGPCRPEJB-UHFFFAOYSA-N 327.394 2.922 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)NC1(C(F)(F)F)CCCCC1 343623338 OQXSJIVWCCBEBF-UHFFFAOYSA-N 333.354 2.797 0 50 EFAA Cc1cccc([C@@H](C)NC(=O)c2ccccc2OCC(N)=O)c1C 115284603 QNVSLSNQTOPFFZ-CQSZACIVSA-N 326.396 2.659 0 50 EFAA CC(C)=CCN1CCN(Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO 20782961 NIVGVCYETHOTDA-IBGZPJMESA-N 332.488 2.844 0 50 EFAA O=C(Cc1ccccc1I)Nc1ccncc1 136936011 VFMLTYYTXWOIGX-UHFFFAOYSA-N 338.148 2.867 0 50 EFAA Cc1cccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 10110751 CLNHTCOLBCKIEH-UHFFFAOYSA-N 346.452 2.729 0 50 EFAA CCOC(=O)[C@]1(C)CCN(C(=O)c2ccc3nc(S)oc3c2)C1 124103060 PIDDLQQOBOURKP-MRXNPFEDSA-N 334.397 2.532 0 50 EFAA Cc1cccc(-c2nn(-c3ccc(-n4cnnc4)nc3)cc2C(=O)O)c1 67982221 FDJUKXXZBZVULG-UHFFFAOYSA-N 346.350 2.522 0 50 EFAA CCOCCN1CCN(C[C@@H](O)c2ccc(C(C)C)cc2)C[C@H]1C 252331372 ULDMMZMJYPDHNN-YLJYHZDGSA-N 334.504 2.886 0 50 EFAA C[C@@H](CNC(=O)N1CCOCC2(CCC2)C1)N1CCc2ccccc21 354194101 TXECACYUAMREMC-INIZCTEOSA-N 343.471 2.650 0 50 EFAA Cc1nc2c(c(NCc3ccc4c(c3)C[C@@H](C)O4)n1)CCN(C)CC2 65508169 AXVBRVJBNONXHL-CYBMUJFWSA-N 338.455 2.751 0 50 EFAA CN(CCc1noc(-c2ccc(C(=O)O)cc2)n1)C(=O)OC(C)(C)C 34928856 CJTULGWMMDHLCX-UHFFFAOYSA-N 347.371 2.844 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)[C@H](C)C(=O)Nc1nccs1 65406855 YCTAYYQKOMSOBJ-SNVBAGLBSA-N 335.433 2.643 0 50 EFAA COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2390935 VRTXRNJMNFVTOM-ZDUSSCGKSA-N 341.429 2.906 0 50 EFAA biogenic,in-vitro Cc1cc(O)c([C@]2(O)C(=O)Nc3cc(Br)ccc32)cc1C 4110359 PRUMRORLNVGOFZ-INIZCTEOSA-N 348.196 2.960 0 50 EFAA CC(C)Oc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccn1 282662351 VJXHZRBIFGLRIT-IRXDYDNUSA-N 344.386 2.956 0 50 EFAA Cc1cc2nc(C(C)C)cc(N3CCC4(CC3)COC(=O)O4)n2n1 72448102 HWDZTCNUVMBPPE-UHFFFAOYSA-N 330.388 2.667 0 50 EFAA CN1CCC[C@@H](CNC(=O)CCc2cnn(C)c2)[C@H]1c1cccs1 253419158 KAURBZDLHIRLQL-YJBOKZPZSA-N 346.500 2.614 0 50 EFAA Cn1nccc1N1CCC[C@@H](NCc2ncc(C(C)(C)C)s2)C1 253427308 LRAWJNNWLAITAP-CYBMUJFWSA-N 333.505 2.933 0 50 EFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2ccnc(C3CC3)n2)cs1 328625360 DAZFUNOPGZXATE-ZFWWWQNUSA-N 347.463 3.143 0 50 EFAA O=C(O)C1(C(=O)NCc2ccc(Br)cc2Cl)CC1 154830233 PGPQXVCLUGNALZ-UHFFFAOYSA-N 332.581 2.584 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cnc2ccccc12 456190617 LFDKMUDXWRHLQC-CQSZACIVSA-N 346.452 2.583 0 50 EFAA CNC[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)s2)C1 159051513 DYZROQJKQSQWLE-OKPNEXGHSA-N 343.290 2.982 0 50 EFAA Cc1c(-c2cc(CN3CC[C@H](O)c4ccccc4C3)on2)cnn1C 368737224 KDPUTGWQCPWRNY-IBGZPJMESA-N 338.411 2.823 0 50 EFAA Cc1noc(C)c1Cc1ccc(C(=O)N(C)Cc2cnn(C)c2C)o1 13640968 BKMADUZRJFYRCF-UHFFFAOYSA-N 342.399 2.789 0 50 EFAA Cc1oc(-c2ccccc2)nc1CCNc1ncnc2c1CN(C)CC2 372562295 SGNYDBOCYMVGLJ-UHFFFAOYSA-N 349.438 3.083 0 50 EFAA CCOC(=O)c1cnc2c(cnn2C)c1N1CCCC[C@@H](SC)C1 128839763 VUVQBSQRSYOKOH-GFCCVEGCSA-N 348.472 2.867 0 50 EFAA O=C(O)C1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 238011556 JVLHTEMUAIDNQR-PREGVCBESA-N 348.418 2.550 0 50 EFAA Cc1nn(C)c2nc(-c3cccnc3)nc(N[C@@H](C)c3cnn(C)c3)c12 72474960 KOUSZDMYSXLOJX-NSHDSACASA-N 348.414 2.640 0 50 EFAA COc1ccc([C@@H](C)CNCC2(S(C)(=O)=O)CCCC2)cc1 285543131 QUQQXELGFARWDN-AWEZNQCLSA-N 325.474 2.746 0 50 EFAA C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(CNS(C)(=O)=O)CC1 285604843 YMPPCHVKRFDLHZ-NSHDSACASA-N 348.871 2.801 0 50 EFAA Cc1noc(C)c1CC(=O)N(C)Cc1cc(-c2cccnc2)no1 77338209 ZHIZBFQOTPQZIZ-UHFFFAOYSA-N 326.356 2.543 0 50 EFAA COc1cc(-c2nccn2Cc2cc(C)nn2C)cc(OC)c1OC 77438273 OZPOZXNKEOSPKK-UHFFFAOYSA-N 342.399 2.666 0 50 EFAA CCn1c(C)cc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c1C 263167815 YNPUMEOZISZLRS-AWEZNQCLSA-N 332.322 2.604 0 50 EFAA Cc1[nH]c2ncnc(NC(=O)c3cc4ccccc4c(=O)o3)c2c1C 239672495 BTJFHNAXVJVSGF-UHFFFAOYSA-N 334.335 2.933 0 50 EFAA CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(C(=O)O)cc2)C12CCC2 263372791 YZLYWIUBVFRYLA-CVEARBPZSA-N 331.412 2.733 0 50 EFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCCc1cn2ccccc2n1 288754590 YKFPHDJSVYUNRN-ACJLOTCBSA-N 336.395 2.698 0 50 EFAA Cc1cccc([C@H](C(=O)NCCC(=O)NC2CCCCC2)N(C)C)c1 91636704 XWZCWZFOHPMVGS-LJQANCHMSA-N 345.487 2.553 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nc3ccccc3o1)C2 95369686 FEHUIGZWHSGYFT-ZDUSSCGKSA-N 338.363 2.704 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N1CC[C@](C)(O)C(C)(C)C1)n2C 91987398 NLTQDWSIDNHLGZ-IBGZPJMESA-N 330.428 2.810 0 50 EFAA COc1cccc(OC2CN(C(=O)[C@@H](O)c3ccc(Cl)cc3)C2)c1 95372138 JZQZYPWSTLZLAS-KRWDZBQOSA-N 347.798 2.672 0 50 EFAA Cc1cc(NC(=O)N2CCOCC2)n(Cc2ccccc2Cl)n1 95521025 ROPMOHIHJGTEMI-UHFFFAOYSA-N 334.807 2.757 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)N2CCOc3ccccc3C2)C1 426412508 WHHMWBQAQBAJHM-INIZCTEOSA-N 331.460 2.569 0 50 EFAA Nc1nc(CCC(=O)NCCCn2ccc3ccccc32)cs1 96160454 BCMRGZFXYBWGCI-UHFFFAOYSA-N 328.441 2.819 0 50 EFAA 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CCCn1c(SCC(=O)Nc2nccs2)nnc1C(C)C 6400299 UMNDLPUOIRPVLQ-UHFFFAOYSA-N 325.463 2.999 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=S)NCc2ccncc2)s1 6570398 ISVFPTVGDGBGAV-UHFFFAOYSA-N 335.454 2.979 0 50 EFAA COc1ccc(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)c(OC)c1C 67432189 ICEOZCYTKBIXPZ-AWEZNQCLSA-N 346.427 2.932 0 50 EFAA O=S(=O)(NCc1cc(C(F)F)on1)[C@@H]1C[C@@H]1c1cccc(F)c1 921335322 GPSHLGCJTRTYBZ-DGCLKSJQSA-N 346.330 2.727 0 50 EFAA COc1cccc(-c2cc(C(=O)N(C)Cc3snnc3C)[nH]n2)c1 67725836 UGFZIYUKQIMZLY-UHFFFAOYSA-N 343.412 2.517 0 50 EFAA OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccsc1 22919079 FIGVHFPHEIQLJF-KRWDZBQOSA-N 332.469 2.523 0 50 EFAA CN(Cc1cnc(N(C)C)nc1)Cc1cccc2c1OC(C)(C)C2 351612870 YUZNBBKLMOLLLJ-UHFFFAOYSA-N 326.444 2.888 0 50 EFAA Cc1ccccc1CCC(=O)N[C@@H]1CCCN(C2CCN(C)CC2)C1 20454357 IXSRGIJESGILCO-LJQANCHMSA-N 343.515 2.602 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 331857343 FKZQPBKMFOYLDB-SJKOYZFVSA-N 347.365 2.574 0 50 EFAA CCCN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 121713898 WIOZTMOTQIKHQU-LLVKDONJSA-N 333.812 2.518 0 50 EFAA C[C@](CO)(CNC(=O)NCCc1cccs1)Cc1ccccc1 252484245 FSURLJLCPVCKQU-GOSISDBHSA-N 332.469 2.831 0 50 EFAA O=C(O)[C@H](Cc1ccco1)n1ccnc1-c1ccc2c(c1)OCCO2 67642039 BXRMHPFORDOPPH-AWEZNQCLSA-N 340.335 2.783 0 50 EFAA CC1=NN(C(=O)c2ccc(OC(C)C)cc2)[C@@](O)(C(F)(F)F)C1 4178920 AEZSTCXWSGMDNR-AWEZNQCLSA-N 330.306 2.947 0 50 EFAA O=C(Nc1ccc(F)cn1)N1CCO[C@]2(CCc3ccccc32)C1 122843722 OSCQNDAPXQIHCN-GOSISDBHSA-N 327.359 2.927 0 50 EFAA Cc1ncsc1CN(Cc1nccn1C(C)C)C[C@H]1CCNC1 435737593 JSOLWBRHIWTSRC-HNNXBMFYSA-N 333.505 2.841 0 50 EFAA O=S(=O)(c1cnc2n1CCC2)N1CCC[C@@H]1CCC1CCCC1 330018086 SFTJKLODUCEQOU-OAHLLOKOSA-N 337.489 2.953 0 50 EFAA COc1ccc([C@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)c(OC)c1 75402945 QBGZKSGQXDDVIG-MAUKXSAKSA-N 339.395 2.609 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CC13CCS(=O)(=O)CC3)CCC2 253416565 SBLPPRBDJAJMGF-SJORKVTESA-N 347.480 2.704 0 50 EFAA CCSCC[C@H](C)NC(=O)c1ccc2c(c1)nc(C)n2CCO 253404916 VYSBKLATQVOKJN-LBPRGKRZSA-N 335.473 2.599 0 50 EFAA COc1ccncc1CNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 333361801 HJZLPAAVLGLMFT-KRWDZBQOSA-N 345.443 2.581 0 50 EFAA O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC[C@H](n2ccnn2)C1 333562324 LEBBZGKCDLGJIA-AWEZNQCLSA-N 328.420 2.526 0 50 EFAA CC(C)n1cc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cn1 39509557 CDBIRPDTFRCHGE-UHFFFAOYSA-N 346.475 2.719 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)Cc2csc(C)n2)CC1 72158527 PZBHZVUUFFIMMY-UHFFFAOYSA-N 345.468 2.742 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cnn(-c2ccccc2OC)c1 215393480 LETAEMLJLLGOHX-UHFFFAOYSA-N 336.395 2.938 0 50 EFAA C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1nnc2n1CCCC2 368186030 YPDXFEXMNQRWHF-JTQLQIEISA-N 327.388 2.588 0 50 EFAA CCn1nc(C)c(C(=O)NCc2nc(-c3cccc(C)c3)no2)c1C 71763900 SUGZWPWVAFOIPN-UHFFFAOYSA-N 339.399 2.808 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)CCC1=O 77565720 AFAIXQZGDCPYNR-HXUWFJFHSA-N 343.471 2.655 0 50 EFAA COc1ccc(F)c(C(=O)N2CC[C@H](C3CCOCC3)C2)c1OC 375500409 YFOXWLHWZKTHBR-ZDUSSCGKSA-N 337.391 2.732 0 50 EFAA CCOCc1nc2c(c(N[C@H](CC)c3ccncc3)n1)CCNCC2 72424508 VCLRDZDAUPOTMG-MRXNPFEDSA-N 341.459 2.660 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(Cl)c2ccccc12 239761355 CJQBJOLYHMJRIA-CIISACIHSA-N 346.814 2.703 0 50 EFAA O=C(NCCCOc1cccc2cccnc12)c1ccncc1F 132874017 SJFCCHZQDKXJRM-UHFFFAOYSA-N 325.343 2.968 0 50 EFAA CNc1ncc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cn1 72418007 JPIPTXDATOVWAT-UHFFFAOYSA-N 345.491 2.779 0 50 EFAA CC(C)=CCCN1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 72423793 RROANYZDYGAOAA-QGZVFWFLSA-N 330.476 2.849 0 50 EFAA Cc1cnn(CCC(=O)N2CCN(c3ccccc3C)C[C@@H]2C)c1 77471818 NTBDVHOSXITAQN-KRWDZBQOSA-N 326.444 2.627 0 50 EFAA CSc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 219269307 HOHRXOAWUDWYED-ZDUSSCGKSA-N 332.469 2.929 0 50 EFAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2cc(C)cn2)cc1 242389447 ZXGRHBZEDXPSIB-HKUYNNGSSA-N 338.455 2.880 0 50 EFAA O=C(c1cnc(CN2CCCC2)s1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71404068 SKOICCIYUAARCB-NMWPEEMBSA-N 331.485 2.857 0 50 EFAA O=C(NC[C@@H]1CCCS1)[C@H]1CCCCN1C(=O)c1cccs1 131644118 WWTHCSFEHOVDON-QWHCGFSZSA-N 338.498 2.755 0 50 EFAA CN[C@@H]1CCCN(C(=O)CCc2ccc(Br)c(C)c2)C1 133418090 DMBMTPVIPQFNEQ-CQSZACIVSA-N 339.277 2.901 0 50 EFAA Cc1nc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)no1 286219794 LFMOKVCQXIYWLE-SECBINFHSA-N 331.298 2.593 0 50 EFAA Cc1cc(S(=O)(=O)N2CCOc3ccncc32)ccc1OC(C)C 175660904 VSGWVOHZICNDNG-UHFFFAOYSA-N 348.424 2.765 0 50 EFAA CC(C)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)n(C)n1 81827852 GXOPPLHILAEPAR-UHFFFAOYSA-N 337.427 2.702 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)no1 82138885 RMISIBUUKVWJBG-INIZCTEOSA-N 329.400 2.844 0 50 EFAA Cc1ccc(CN2CCN(C(=O)[C@H]3CCc4ccccc43)CC2=O)cc1 82097525 OCYHVKHLYACUSU-FQEVSTJZSA-N 348.446 2.896 0 50 EFAA CCC(CC)(CNC(=O)CCCc1nc(O)c2ccccc2n1)OC 292289634 MCOWCYTUXKGUEE-UHFFFAOYSA-N 345.443 2.980 0 50 EFAA CC(C)N1CCC(C(=O)NCCCn2ncc3ccccc32)CC1 95355053 CCNJIDFRSDYMGA-UHFFFAOYSA-N 328.460 2.663 0 50 EFAA COc1ccccc1N1CCN(c2cccc(C(=O)O)n2)CC1(C)C 96137845 CKAONTCFDVZHBP-UHFFFAOYSA-N 341.411 2.894 0 50 EFAA CN(CCC(C)(C)O)C(=O)c1coc(COc2cccc(F)c2)n1 91410197 LGJMUFVBPFZRRS-UHFFFAOYSA-N 336.363 2.626 0 50 EFAA O=C(NCCCSC1CCCCC1)[C@H]1CCCCn2nnnc21 97288782 MHTCCRBJRPJIIF-AWEZNQCLSA-N 337.493 2.513 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCC[C@H]2O 95370525 BVALDJQIFVNMSF-OAHLLOKOSA-N 341.810 2.554 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccn(C2CCCC2)n1 299746534 YAIPKCSBBKDAEF-MAZHCROVSA-N 331.416 2.856 0 50 EFAA CC(C)(C)OC(=O)Nc1ccc(CNC(=O)N2CCOCC2)cc1 263624578 RSHFFCGSYAECLS-UHFFFAOYSA-N 335.404 2.575 0 50 EFAA COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(O)cc2)cc1 261493479 BXMYTGVAFAERIS-UHFFFAOYSA-N 333.409 2.754 0 50 EFAA Cc1ccc(OCCN)c(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c1 299757147 NELWRSWDMWMAJD-CQSZACIVSA-N 330.432 2.506 0 50 EFAA COCCn1cncc1CNC(=O)Nc1ccc2nc(C)sc2c1 299802268 YMJRYJXCJLEWNA-UHFFFAOYSA-N 345.428 2.769 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1scc3c1CCCC3)CC2 299759530 OGEVDPMAGKXYPB-DHSIGJKJSA-N 335.469 2.771 0 50 EFAA CC(C)c1cc(CN(C)C(=O)CC2=CSC3=NCCCN23)on1 299757623 HUABFYJWCCTJII-UHFFFAOYSA-N 334.445 2.796 0 50 EFAA Cc1nc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 299772947 BEGKHCRGCXHWMR-QGZVFWFLSA-N 328.393 2.702 0 50 EFAA COc1cccc2c1OCC(CN1CCN(Cc3ccco3)CC1)=C2 824801300 IYTHBXSAYAAEBG-UHFFFAOYSA-N 340.423 2.882 0 50 EFAA O=C(CN1CCCCC1=O)NCC[C@@H](c1ccccc1)c1ccco1 670455607 KNATYZIUIRJYEN-KRWDZBQOSA-N 340.423 2.930 0 50 EFAA CC(=O)N1CCN(Cc2cccc(-c3ccc(N)c(F)c3)c2)CC1 952848076 BEFJUFMPRPHJJW-UHFFFAOYSA-N 327.403 2.739 0 50 EFAA CCSc1nc(C)c([C@H](CC)C(=O)NCCNC(=O)OC)s1 952993126 DPQJSSVSDKHPKU-JTQLQIEISA-N 345.490 2.529 0 50 EFAA Cn1nccc1[C@@H](O)CNCc1c(Cl)cccc1Br 1875283824 DERLQPMNVRRWKL-ZDUSSCGKSA-N 344.640 2.659 0 50 EFAA Cc1cc(C)n(Cc2cccc(NS(=O)(=O)CC3(F)CC3)c2)n1 1875279752 BVMPZLUYWXWNAI-UHFFFAOYSA-N 337.420 2.792 0 50 EFAA Cc1nn(C)c(Cl)c1Cc1noc(-c2cccc3nc(O)[nH]c23)n1 1875324215 MPFRCSCXDZDASA-UHFFFAOYSA-N 344.762 2.605 0 50 EFAA Cc1ccccc1CNC(=O)N1CCC[C@]12CCC[S@](=N)(=O)C2 1875393259 KDBKLWZNYSLNMR-HXOBKFHXSA-N 335.473 2.880 0 50 EFAA Clc1cnc2nc(N3CCC(Cn4cncn4)CC3)ccc2c1 893267963 YQCIEZZIEPSKSH-UHFFFAOYSA-N 328.807 2.791 0 50 EFAA CC(C)c1nsc(N2CCN(c3cccc4nc(O)[nH]c34)CC2)n1 895915020 SHSRMYBJXKDAIB-UHFFFAOYSA-N 344.444 2.570 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccc(F)cc1 1775956836 RNPWSQGRZWCIDC-CPFXZCKGSA-N 333.403 2.617 0 50 EFAA C[C@H](CCCO)NC(=O)c1c(F)cc(Br)c(F)c1F 1775989253 IJHIGGQFHTZLKK-ZCFIWIBFSA-N 340.139 2.757 0 50 EFAA CC(C)(C)OC(=O)N1CC2(CC[C@@H](N[C@H]3CCc4c[nH]nc4C3)C2)C1 1775985458 HSVQMMUEJBDYRH-LSDHHAIUSA-N 346.475 2.646 0 50 EFAA CC[C@H](OC)c1nc(-c2ccc(N3CCC(C(N)=O)CC3)cc2)no1 897077343 KFVOQBSNQPROTK-HNNXBMFYSA-N 344.415 2.536 0 50 EFAA Cn1ccc2ccc(NC(=O)N[C@@]34CCCC[C@@H]3NC(=O)C4)cc21 1365183104 ZWLQNICANYZNNN-MAUKXSAKSA-N 326.400 2.501 0 50 EFAA COc1ccc(CN(C)CCNC(=O)c2oc(C(C)C)nc2C)cc1 1399594409 SVNSRYFDNPFXCH-UHFFFAOYSA-N 345.443 2.977 0 50 EFAA CCON(C(C)C)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 401396433 PNKAAFUUBRTORW-UHFFFAOYSA-N 343.445 2.590 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@H]2[C@H](C1)C2(F)F 408517588 MRJFXWNQKZHFBN-RYUDHWBXSA-N 335.379 2.861 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1(CC)CC 408521580 ZEZGMPDJHLEPRE-CVEARBPZSA-N 343.427 2.637 0 50 EFAA CCC[C@@H]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)C1 222216112 AIRRJXLUBAWSDY-WQVCFCJDSA-N 348.468 2.729 0 50 EFAA c1nc(N2CCN(CCc3cncs3)CC2)c2sccc2n1 411302871 BDZNTZYWTWAIIT-UHFFFAOYSA-N 331.470 2.513 0 50 EFAA Cc1c(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)cnn1C1CCCC1 278053713 XGKNEJHOZAIZGO-GFCCVEGCSA-N 329.404 2.786 0 50 EFAA CCOC(=O)[C@]1(C)CCCN1C(=O)c1csc(-c2ccccn2)n1 170678643 CUSSYLFDMUFLJL-KRWDZBQOSA-N 345.424 2.763 0 50 EFAA O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(Oc2cccnc2)cc1 170606217 AKHJBUOGAXAJQS-UHFFFAOYSA-N 335.367 2.801 0 50 EFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@]2(CC=CCC2)C1 170626892 JQSINNKVGOEKBK-XLIONFOSSA-N 348.487 2.753 0 50 EFAA CN1C(=O)CCc2cc(CNC[C@H](c3ccccc3)N(C)C)ccc21 187096880 MXGSACLTXUAEAL-HXUWFJFHSA-N 337.467 2.988 0 50 EFAA 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EFAA c1cc(Cc2nnc(N3CCCN(C4CCCCC4)CC3)o2)ccn1 1772700339 CXEHASUMHQRDBF-UHFFFAOYSA-N 341.459 2.900 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(-c3ccccc3F)o1)C2 1772707694 UIOBKZBQWWKMMW-AUUYWEPGSA-N 331.387 2.917 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@@H](C4(O)CC4)C3)cc2nc1C 1772817689 HOWWVAZEXYXKPE-OAHLLOKOSA-N 325.412 2.624 0 50 EFAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CC2)cc1 11121695 OUDMJAZRNCOWFP-UHFFFAOYSA-N 344.436 2.545 0 50 EFAA COC[C@@H](C)NC(=O)c1coc(COc2ccc3ncccc3c2)n1 11820636 HNFXYVMERRZSRL-GFCCVEGCSA-N 341.367 2.567 0 50 EFAA Cc1nn(C)cc1CN1CCC(=O)N(Cc2cccc(Cl)c2)CC1 12162751 OQONMHVHEGGISM-UHFFFAOYSA-N 346.862 2.616 0 50 EFAA Cn1c(CNC(=O)C2CCC2)nnc1SCc1ccc(F)cc1 12572851 MYKBAVMGZISIQU-UHFFFAOYSA-N 334.420 2.663 0 50 EFAA COc1ccc(CCN2CCC(O)(c3cccnc3)CC2)cc1OC 19792676 YYPVAYUZLXAYGB-UHFFFAOYSA-N 342.439 2.625 0 50 EFAA O[C@H](CN1CCCC1)Cn1ccnc1-c1ccc2cccc(F)c2n1 1857670173 YHSSBWKJCMHNNY-OAHLLOKOSA-N 340.402 2.694 0 50 EFAA CC[C@@H](C)Cc1nc(-c2cc(C(F)(F)F)nn2C)n(CCCO)n1 1857678928 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334.427 2.509 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1noc2c1COCC2 1775988847 MDRZOGIZDUVWAU-UHFFFAOYSA-N 325.324 2.963 0 50 EFAA Cc1c(C(=O)N=[S@@](C)(=O)c2ccc(N)cc2)cnn1CC(C)C 1776006589 XYJSURHOBIAFSX-QHCPKHFHSA-N 334.445 2.727 0 50 EFAA O=C(NCc1nc([C@@H]2CCOC2)n[nH]1)c1ccc(Cl)c2occc12 899331205 IXOFMVUDHKIKFQ-SECBINFHSA-N 346.774 2.638 0 50 EFAA NC(=O)c1cccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)c1 272521745 JASBZYFQXPNNEA-CQSZACIVSA-N 339.395 2.718 0 50 EFAA O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CC[C@H](CO)C1 305689085 MTNAGZDVINJFSW-ZDUSSCGKSA-N 329.396 2.531 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCCc1nc2ccc(F)cc2n1C 408474576 FWGGFKJOSPANDV-KDOFPFPSSA-N 347.434 2.822 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@@H]2CCCN(CCc3ccccc3)C2)C1 408517972 QPUBZPPUAJOVGG-VQTJNVASSA-N 344.499 2.826 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 274072078 VDLIEIKIGNJQLS-OAHLLOKOSA-N 341.411 2.991 0 50 EFAA CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccncn1 1320840190 YRYOKEVEMAZIFZ-UHFFFAOYSA-N 344.400 2.631 0 50 EFAA O=c1[nH]c(CCNc2ncnc3sc4c(c23)CCCC4)cs1 276572594 NGHDPCWECLMOGS-UHFFFAOYSA-N 332.454 2.975 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 187065063 IRXJXHGZMVXACY-UHFFFAOYSA-N 331.397 2.773 0 50 EFAA C[C@@H]1CCc2c(sc3ncnc(N[C@@H]4C(=O)NCC[C@H]4C)c23)C1 685039900 PJQHKRFWZSNSCN-RULNRJAQSA-N 330.457 2.753 0 50 EFAA CC(C)C[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 189829901 DNHVCGNAPAJDNI-OAHLLOKOSA-N 331.391 2.827 0 50 EFAA O=C(Nc1cnns1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 192341622 SCGBSVQIKBGSDN-CQSZACIVSA-N 332.385 2.582 0 50 EFAA COCCCN(C)C(=O)NCc1ccc(Br)c(F)c1 194498757 SQJIRBZYIZNBGS-UHFFFAOYSA-N 333.201 2.766 0 50 EFAA CC1(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)CCOCC1 195561819 HEPLIGXFPHCCQK-KRWDZBQOSA-N 345.487 2.613 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1 654512704 LMXUOQQVXXQLCO-GFCCVEGCSA-N 333.363 2.764 0 50 EFAA Cc1cnc(NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)nc1N(C)C 1529189354 NDORJRVZBXRGIS-LZUXJJCOSA-N 330.476 2.840 0 50 EFAA COc1cccc([C@H]2CCN(Cc3ccc(C(=O)O)cc3)C[C@@H]2O)c1 209861851 YJCZJJPQAXDTLM-MOPGFXCFSA-N 341.407 2.744 0 50 EFAA Oc1cc(C2CCN(Cc3nc(C(F)(F)F)no3)CC2)ccn1 1772811397 UHZFDOKBNYLTNK-UHFFFAOYSA-N 328.294 2.569 0 50 EFAA O=C(CCCn1cnc2ccccc2c1=O)Nc1nc2ccccc2[nH]1 5206075 RPXAMMLTLILTCC-UHFFFAOYSA-N 347.378 2.692 0 50 EFAA COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O 5998961 HRGUSFBJBOKSML-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro Cc1ncsc1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 11661453 FKUWRFZAXVNHNA-AWEZNQCLSA-N 333.432 2.985 0 50 EFAA CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccco3)n[nH]2)c1 12316034 VEBVVJYHXWYKJK-UHFFFAOYSA-N 339.351 2.714 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 12379383 FYUMXIAZONPKHT-UHFFFAOYSA-N 343.471 2.870 0 50 EFAA COc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1OC 12383592 UOGFWBMGLSZZBQ-GFCCVEGCSA-N 343.379 2.794 0 50 EFAA biogenic,in-vitro O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CCCCCC1 12457275 NFGNFQPEPQKEJE-UHFFFAOYSA-N 344.367 2.999 0 50 EFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(C)o2)n2ncnc2N1 13126962 KUOKMTSXPOGKRP-KRWDZBQOSA-N 349.394 2.785 0 50 EFAA Cc1cc(C(=O)NCCN2CCOCC2)sc1-c1ccccc1 13326270 SXQPUNPEHJKVSS-UHFFFAOYSA-N 330.453 2.786 0 50 EFAA CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C)CC1 13710579 CIHCAAFPKPNJQP-HNNXBMFYSA-N 333.428 2.872 0 50 EFAA O=C(c1cccnc1)[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 14955974 OVHGQQUMGHUGQW-HNNXBMFYSA-N 349.394 2.622 0 50 EFAA CC(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)[nH]n2)CC1 15064421 LASBHBWTHTWRBW-UHFFFAOYSA-N 330.436 2.525 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1C)CCCC2 169752881 JHYMDTNMLWODLZ-UHFFFAOYSA-N 330.359 2.893 0 50 EFAA COc1ccnc(CN(C)CCn2cnc3ccccc32)c1OC 1857668235 XNYBLZARGYZJTH-UHFFFAOYSA-N 326.400 2.581 0 50 EFAA CCCCOc1ccccc1C(=O)N1CCN2C(=O)OC[C@]2(CC)C1 1857675816 JTLMCIUPENVIHE-IBGZPJMESA-N 346.427 2.922 0 50 EFAA FC(F)(F)Cn1nc(C2CCCC2)nc1[C@H]1CCn2ncnc2C1 1857677837 OEKCHUGGAQCEKK-NSHDSACASA-N 340.353 2.820 0 50 EFAA Cc1nc(C)c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)nc1C 423614666 SZKLRKTZVGNHEE-INIZCTEOSA-N 344.846 2.842 0 50 EFAA C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(CN)o2)CC1 237438202 NGPQLHXXHXUMKU-GFCCVEGCSA-N 349.381 2.536 0 50 EFAA Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]([C@H](C)O)C3)c2C)cc1 650528173 WKLHOCSDSZJWDW-LSDHHAIUSA-N 328.416 2.724 0 50 EFAA Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 241124261 JGTWROJLMYOZIQ-RLFYNMQTSA-N 347.484 2.533 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(C)o1 248021778 MGWZCMFCEJOUJI-SJORKVTESA-N 348.443 2.613 0 50 EFAA c1nc(C2OCCO2)sc1CN1CCC(N2CCCCC2)CC1 253429980 PJOBROAJQYPYJT-UHFFFAOYSA-N 337.489 2.639 0 50 EFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncncc2Br)C1 253623497 XHZAJFWPACXCQT-DGCLKSJQSA-N 338.180 2.691 0 50 EFAA O=C(NC[C@]1(c2ccccc2)C[C@H](O)C1)Nc1nnc(C2CC2)s1 902908206 FLMMWMMCGAHOID-WJYNOGRTSA-N 344.440 2.630 0 50 EFAA Cc1cnc2c(cnn2CC(=O)N(CC(C)C)c2ccc(F)cn2)c1 905982821 IRWVNVBGAAGKEV-UHFFFAOYSA-N 341.390 2.963 0 50 EFAA CC(C)c1ccccc1C(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910616335 IMPZLQKLOXFDNI-SHYRYGCCSA-N 331.412 2.952 0 50 EFAA COc1ccccc1-c1cccc(NC(=O)C[C@]2(O)CCCNC2)c1 912276315 KMIZRZREPCHBGX-HXUWFJFHSA-N 340.423 2.805 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(c2nnc(N)o2)CC1 824151933 LMHQHCRRQSJITC-UHFFFAOYSA-N 332.404 2.871 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)NCc1cc(C(F)(F)F)nn1C 831061206 DCQBSWQEFHFZDE-JTQLQIEISA-N 327.306 2.523 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc(OC)ncn1 931029195 LIVSVZMOFJAGGE-MRXNPFEDSA-N 327.384 2.643 0 50 EFAA O=C(c1coc(C2CCC2)n1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1120749927 MOWOQVYDBUEGQN-KRWDZBQOSA-N 349.394 2.848 0 50 EFAA C=CC(=O)N(C)CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 859646493 CMGIIJIHEQWGBJ-UHFFFAOYSA-N 340.345 2.845 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(C)c1C 8715819 YJWQXUZMFYDPHS-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA C[C@@H](C(=O)N(C)CCN1CCCC1=O)c1ccc(F)c(Cl)c1 2325769765 KOOVMALIVQFPCL-LLVKDONJSA-N 326.799 2.663 0 50 EFAA C[C@@H](NC(=O)C[C@]1(C)CCCO1)c1ccc(N2CCCC2=O)cc1 2325776245 GLYQWGAPEDUNFB-KUHUBIRLSA-N 330.428 2.950 0 50 EFAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCc2ccc(C(=O)O)cc21 908064057 UICYOUVRNDDIQO-UHFFFAOYSA-N 339.273 2.638 0 50 EFAA COc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1 65301 QNTGGWPCCZYDFR-UHFFFAOYSA-N 342.395 2.545 0 50 EFAA COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)CC2=O 236295 AFRKOYFFPJYBHL-CYBMUJFWSA-N 332.230 2.666 0 50 EFAA biogenic CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 312269 KJJOIRZXGWZYPL-UHFFFAOYSA-N 332.425 2.752 0 50 EFAA CSc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 399654 PVBMJYQGWAEWRW-UHFFFAOYSA-N 337.426 2.700 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1 406532 MLZLSPNAYPQTFD-UHFFFAOYSA-N 334.788 2.666 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 452084 IGZSCPDBRMMFCX-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA O=C1O[C@H](c2nn3c(-c4ccco4)nnc3s2)Cc2ccccc21 620640 VZHVCLSTLNOTOB-LBPRGKRZSA-N 338.348 2.900 0 50 EFAA COc1cc(F)ccc1C(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356158544 OGSLCAUPTCSVOJ-LJQANCHMSA-N 348.418 2.840 0 50 EFAA CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCCCC1 4958062 JQILUMBUNLQQNH-ROUUACIJSA-N 330.453 2.971 0 50 EFAA COc1ccccc1CN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C1CC1 55369695 LLHDRQRUUYYEIA-MRXNPFEDSA-N 344.455 2.691 0 50 EFAA CC[C@@H](CNCc1cnc(-c2cccc(C)c2)nc1)N1CCOCC1 55053038 UUYFQOHFDLBMCG-IBGZPJMESA-N 340.471 2.652 0 50 EFAA CC(C)OC(=O)c1cc(NC(=O)[C@H](C)n2cncn2)ccc1Cl 55060486 ABGPITAKXJGRAF-JTQLQIEISA-N 336.779 2.696 0 50 EFAA CC(C)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 65409505 TXVUCBQUAKHAJT-UHFFFAOYSA-N 340.471 2.668 0 50 EFAA CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 10112199 CXIITTQTXPHHEL-UHFFFAOYSA-N 335.381 2.657 0 50 EFAA Cc1cccc(S(=O)(=O)CCCN2CC[C@H]3OCCC[C@H]3C2)c1 248626235 OBTFLDKGXBAKBH-FUHWJXTLSA-N 337.485 2.660 0 50 EFAA NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)O1 248818285 AWVYTGMQQJLTBL-CNQUTIHQSA-N 348.468 2.565 0 50 EFAA CC(C)Cc1ncc2c(n1)CN(C(=O)CCn1cnc3ccccc31)C2 67820000 SUSDKVPMKNRGIV-UHFFFAOYSA-N 349.438 2.957 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](C)c1nc2c(s1)CCCC2 65409054 ZUSJLXSFZMNVQH-GFCCVEGCSA-N 345.468 2.828 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)o1 136168774 RDLLSMFLQXVWJH-UHFFFAOYSA-N 328.368 2.550 0 50 EFAA CC(C)n1cnnc1CN(C)C(=O)c1c[nH]nc1-c1cccc(F)c1 67723238 HWKLKSAZJLVLGS-UHFFFAOYSA-N 342.378 2.660 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)c1 174005816 BXNDJRKOHXUVBU-OAHLLOKOSA-N 337.420 2.644 0 50 EFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(-c2nncs2)cc1 252496320 PGPNPTJHNFNTJW-QWRGUYRKSA-N 347.444 2.630 0 50 EFAA Cc1ccc(C[C@@H](CO)CNC(=O)COc2ccc(C)cc2)cc1 252492201 MFLUFFHWWYCDDF-GOSISDBHSA-N 327.424 2.650 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)C2)cn1 252515375 JCOKIYDGEIPCLV-JCGIZDLHSA-N 330.476 2.963 0 50 EFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229816508 CYEFEZVMEPKYII-CVEARBPZSA-N 345.443 2.574 0 50 EFAA Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 357355712 RZLNUANMODFLPJ-JXFKEZNVSA-N 339.439 2.935 0 50 EFAA Cc1cc(C)c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c(=O)[nH]1 12208492 ANYXOBQDKRZAIA-MRXNPFEDSA-N 345.487 2.909 0 50 EFAA COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)nn1C 4770207 BBKKKPYXJBCBCN-UHFFFAOYSA-N 328.155 2.766 0 50 EFAA C[C@@H](C1CCN(Cc2ccc(O)cc2Cl)CC1)N1CCOCC1 72479099 JTIJWKNQMFVDBQ-AWEZNQCLSA-N 338.879 2.978 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc3oc(C)nc13)CC2 328588399 FHZPOSMZAZCOOH-CVEARBPZSA-N 344.411 2.528 0 50 EFAA Cn1ccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1=O 479355786 WUVBPNSFBGXBDL-QGZVFWFLSA-N 326.371 2.890 0 50 EFAA COc1cc(C(=O)N2CCc3c(cccc3NC(C)=O)C2)cc(C)n1 253397179 QEYYSWXWYJGMIP-UHFFFAOYSA-N 339.395 2.556 0 50 EFAA NC(=O)c1noc([C@H]2CCCN2Cc2cc3ccccc3s2)n1 328645659 SFWLLWKYVKTXHT-GFCCVEGCSA-N 328.397 2.720 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 331499798 ZMUDQLKZYBWROJ-NSHDSACASA-N 342.798 2.519 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cnn(Cc2ccccc2)c1 363150561 SBEVTKDZMAJRNX-LJQANCHMSA-N 346.434 2.940 0 50 EFAA CCc1nc(N[C@@H](C)c2c(C)nn(CC)c2C)c2cnn(C)c2n1 72163054 VLTADTUDLCCEIJ-JTQLQIEISA-N 327.436 2.932 0 50 EFAA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 30822658 FEXUCCLFKKVLLB-UHFFFAOYSA-N 336.347 2.706 0 50 EFAA CN(Cc1nc(C2CC2)no1)C(=O)c1ccc(CCC(C)(C)O)cc1 72479987 NVGYRIYLYWVAHR-UHFFFAOYSA-N 343.427 2.923 0 50 EFAA C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1nc(C2CC2)no1 219485655 JJDPJRNBWVMYAO-QMMMGPOBSA-N 339.754 2.996 0 50 EFAA CC(C)(C)C(=O)Nc1ccnc(Cl)c1CN1CC[C@H](CO)C1 38534080 YZRWBLRCNHDVIK-NSHDSACASA-N 325.840 2.534 0 50 EFAA O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[C@@H]1c1nc[nH]n1 241121896 JEPNCPPFLOXYGM-HOTGVXAUSA-N 349.394 2.563 0 50 EFAA CC1(C)CC[C@H](CN2CCC(NC(=O)c3ccccc3F)CC2)O1 372340307 YSJZBPZWZMMTNT-OAHLLOKOSA-N 334.435 2.978 0 50 EFAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@@H]2c2nncn2C)o1 241367987 MJDFWSKFAHCEAY-IUODEOHRSA-N 331.420 2.584 0 50 EFAA COc1cc(C)cc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C 241439962 NNVXFUJEOZUECD-ACJLOTCBSA-N 334.416 2.724 0 50 EFAA Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)O)C2)c(O)nc2ccccc12 262211354 JBAAQVJRCLUHAZ-HXPMCKFVSA-N 340.379 2.576 0 50 EFAA C[C@H](C(=O)N1CCC(n2ncc3c2CNC3)CC1)c1cccs1 333644544 XVZIXBPNQIQFQP-LBPRGKRZSA-N 330.457 2.515 0 50 EFAA Cc1ccc(CC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cn1 333989089 IRRVYJWQNAWUKY-FQEVSTJZSA-N 336.391 2.569 0 50 EFAA COc1ccc(C)cc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](C)CC2=O 71376307 QTHUQHMNYHJOAO-LLVKDONJSA-N 340.379 2.709 0 50 EFAA Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)Cn3cncn3)n2n1 72475146 BMHXVUNIVNYWIK-CQSZACIVSA-N 333.399 2.797 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1ccc(C)s1 72436118 INBKBNKIEMLWMT-KRWDZBQOSA-N 349.544 2.869 0 50 EFAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCC(=O)N1CCCCC1 175356120 LRARXFZDHDPSFB-WMZOPIPTSA-N 343.471 2.977 0 50 EFAA Cc1ncsc1CN1C(=O)C2(CCNCC2)Nc2ccccc21 82091668 LIIOIEHDSXHVEX-UHFFFAOYSA-N 328.441 2.532 0 50 EFAA O=C(CC1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20493943 JFYNMBASFGCUOB-UHFFFAOYSA-N 330.428 2.640 0 50 EFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N(C)C)cc1F 178948330 VSHMUPGPVYFNNN-CQSZACIVSA-N 344.386 2.804 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](c1cccc(F)c1)N(C)C 91781370 YSZLAFNPLUBRJX-QGZVFWFLSA-N 332.423 2.517 0 50 EFAA O=C(c1ccccn1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91649999 FJEQCSJDXCMZOM-QGZVFWFLSA-N 347.422 2.741 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)c1cnc(-c2cccnc2)nc1 95374982 ZODKXPURFUJAFW-INIZCTEOSA-N 326.400 2.570 0 50 EFAA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cnccc3C)cc2)C1 426396637 PNRYIVXIUGABOG-GOSISDBHSA-N 337.423 2.798 0 50 EFAA Cc1c(NC(=O)N2CCCC[C@H]2CO)cccc1C(=O)N1CCCC1 95526646 XIUBMDGMCMWCNU-HNNXBMFYSA-N 345.443 2.610 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(C(F)(F)F)c1)C2 91460837 VICJBHAKGFNMOZ-DZGCQCFKSA-N 326.362 2.801 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)/C=C/c1cc(Br)ccc1F 237483450 VKCIAMZNZJRHOW-WJLLLIJTSA-N 341.224 2.940 0 50 EFAA Cc1ncsc1CN1C[C@H](C(C)C)[C@@H](NC(=O)CC(F)(F)F)C1 91745715 GEDCQSDPUXPCHS-NEPJUHHUSA-N 349.422 2.977 0 50 EFAA CCC[C@@]1(CO)CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 92099447 DEEZSHXFUDIDGJ-LJQANCHMSA-N 331.460 2.697 0 50 EFAA c1ccc(CN2CCC[C@@H]2CN2CCN(c3ccccn3)CC2)cc1 244773770 PGDHITUDOJKWCG-HXUWFJFHSA-N 336.483 2.868 0 50 EFAA CC(C)c1nnc(CN2CCc3nnc(-c4ccccc4)n3CC2)o1 244852938 VCGKFSWDYAGLSS-UHFFFAOYSA-N 338.415 2.510 0 50 EFAA CC(=O)c1ccc(F)cc1NC(=O)c1ccc(C)c(S(C)(=O)=O)c1 184873878 RVQRGJNUTGAUOO-UHFFFAOYSA-N 349.383 2.993 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1COc2ccccc2C1 298454904 VYOLPZYAMMCBGQ-MRXNPFEDSA-N 325.364 2.595 0 50 EFAA O=C1CCCC[C@H](C(=O)Nc2cc(F)cc(Br)c2F)N1 298541690 CVSVDFZEIBDVKS-SECBINFHSA-N 347.159 2.725 0 50 EFAA CCN(Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CN)cc1)C1CC1 299740197 WUMFHOBIZZXBQD-HNAYVOBHSA-N 329.488 2.870 0 50 EFAA Cc1cnc(CN2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1O 253536784 OONNMIXENXLZHM-UHFFFAOYSA-N 345.468 2.726 0 50 EFAA O=C(c1cc(-c2ccccc2)no1)N1CCOCC2(CCOCC2)C1 185131030 BTGDOGQTMUOXMB-UHFFFAOYSA-N 342.395 2.611 0 50 EFAA CSCc1noc(CNC(=O)N2CCCC[C@H]2c2ccccn2)n1 534644718 HIROBSUZLKAWMJ-ZDUSSCGKSA-N 347.444 2.764 0 50 EFAA Cc1ccc(NC(=O)c2cc3ncccn3n2)cc1NC(=O)C(C)C 827621560 DNXXIFGLYVAQHP-UHFFFAOYSA-N 337.383 2.885 0 50 EFAA COCCOC1CCN(C(=O)[C@H](C)Nc2c(C)cccc2C)CC1 584886987 PUYYDMLPCQHNJU-INIZCTEOSA-N 334.460 2.758 0 50 EFAA O=C(N[C@H]1CCCN(C2CCCC2)C1)N1CC(c2ccccn2)C1 584888332 UZNQZEOFPGVEBZ-INIZCTEOSA-N 328.460 2.597 0 50 EFAA C/C(=C\C(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1)c1cccc(F)c1 862911119 ICQVKFYZTBPHBF-GYRNTIECSA-N 345.374 2.909 0 50 EFAA Cc1ccc([C@H]2C[C@H](C)N(c3nnnn3C3CCOCC3)C2)cc1 952878779 ITTJENJRVBBJHE-HOCLYGCPSA-N 327.432 2.715 0 50 EFAA CCO[C@@H]1C[C@@H](n2nnnc2N2CC[C@@H](SC)C2)C12CCCC2 952878911 KGYZMUDBOHKKIR-MGPQQGTHSA-N 337.493 2.525 0 50 EFAA CCn1cc(CN2CCO[C@@H](c3cnn(C)c3)C2)c(C(C)(C)C)n1 1875304434 KFVUUNSJPKULJQ-MRXNPFEDSA-N 331.464 2.508 0 50 EFAA O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CC(C2CCOCC2)=NO1 1875300982 YTAYVFMKLFCOSA-HOCLYGCPSA-N 346.452 2.911 0 50 EFAA N[C@H](C(=O)N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(F)cc1F 1875344921 PANWDELJFCETJZ-BPUTZDHNSA-N 336.313 2.553 0 50 EFAA O=C(N[C@@H]1CC[C@@H](OC(F)F)C1)N1CCOc2cc(F)ccc2C1 888099937 GAQJYAYARIOJMO-CHWSQXEVSA-N 344.333 2.890 0 50 EFAA CS(C)(=O)=NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 891164119 GNYCTWZVJFIPKH-JSFFLRCESA-N 346.452 2.785 0 50 EFAA COc1nsc(CNc2ccc(N(C)C(C)=O)nc2)c1Cl 1434512523 NREVGVUBJGFGJX-UHFFFAOYSA-N 326.809 2.795 0 50 EFAA Cc1nc(/C=C/C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)[nH]c1C 1775998632 FNWSJVCYFYTGHO-GWJCSSMESA-N 342.418 2.916 0 50 EFAA COc1ccc([C@H]2CCN(C[C@@]3(O)CCCC[C@@H]3CC(=O)O)C2)cc1 1775999638 SBUXUSFPBANMJD-QKLQHJQFSA-N 347.455 2.881 0 50 EFAA CCCc1occc1C(=O)N1C[C@H](OC)C[C@H]1COc1cccnc1 1775957334 OKQFSLDMXMIMIK-GOEBONIOSA-N 344.411 2.936 0 50 EFAA COCc1nc([C@H]2C[C@H]3C=C[C@@H]2C3)n(-c2ccc3c(c2)OCCO3)n1 1565527052 CNDVHHXOAILBIE-GUTXKFCHSA-N 339.395 2.865 0 50 EFAA O=C(NS(=O)(=O)[C@H]1CCOC1)C1(C2CCCCC2)CCCCC1 408478565 CZHDXDLFPXBQMM-HNNXBMFYSA-N 343.489 2.752 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)C1CCCCC1)[C@@H]3C2 221355577 FGELXJDEZXLABF-CKEIUWERSA-N 325.474 2.934 0 50 EFAA Cc1cc(O)nc(N2CCC[C@@H](NC(=O)O[C@@H](C)CC(C)C)C2)n1 1364959677 HHHCQLZORRTFAZ-UONOGXRCSA-N 336.436 2.620 0 50 EFAA Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O 97814002 CIJVXSIRUQCTBV-UHFFFAOYSA-N 346.390 2.928 0 50 EFAA in-vitro C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)COCc2nccn2C)C1 669247970 VIJQSBVJMNMYON-CJNGLKHVSA-N 331.391 2.686 0 50 EFAA O=C(c1ccoc1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275614312 LZAQVTTZRSIYIW-HNNXBMFYSA-N 327.384 2.568 0 50 EFAA O=C(OCc1nc2ncc(Br)cc2[nH]1)[C@H]1C[C@H]1C1CC1 170656469 DJPJQYPLIVDITK-UWVGGRQHSA-N 336.189 2.810 0 50 EFAA COc1cc(F)c(NC(=O)N(CC2CCC2)[C@@H](C)CO)cc1F 170619533 QAHARNDFSBEWHS-JTQLQIEISA-N 328.359 2.988 0 50 EFAA Cc1ccccc1[C@@H]1CN(c2cncc(-n3cccn3)n2)[C@H](C)CO1 280812201 WZBTZQKOUBPIIY-WBVHZDCISA-N 335.411 2.937 0 50 EFAA CCc1nc(C2CCN(C[C@H](O)CCc3ccccc3)CC2)n[nH]1 190658929 CLXRGSHDINFELY-QGZVFWFLSA-N 328.460 2.540 0 50 EFAA O=C(O)c1cccnc1CN1CCO[C@@H](CCc2ccccc2)C1 652416225 SQPBPSJCHALBMQ-INIZCTEOSA-N 326.396 2.613 0 50 EFAA CC1(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CCOCC1 195561818 HEPLIGXFPHCCQK-QGZVFWFLSA-N 345.487 2.613 0 50 EFAA CSCC[C@H](N)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1 1529112872 SYAUTZRCPHBZJH-HNNXBMFYSA-N 332.473 2.567 0 50 EFAA CCc1nc(C)cc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704360445 YUZHLXAXEDIWSP-VQIMIIECSA-N 348.450 2.935 0 50 EFAA Cc1cc(O)c(Cl)cc1-c1cc(C(=O)N2CCN(C)CC2)ccn1 1772804320 MICVTZGTVZUHIB-UHFFFAOYSA-N 345.830 2.804 0 50 EFAA COc1ccccc1OCC(=O)Nc1cccc(C(=O)NC(C)C)c1 12138466 LCHVDLXHDFELOT-UHFFFAOYSA-N 342.395 2.851 0 50 EFAA O=C(NCc1ccsc1)c1ccc(CN2CCCCCC2)[nH]c1=O 12206423 LQELDOKOAQDRMB-UHFFFAOYSA-N 345.468 2.742 0 50 EFAA CC(C)CN1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C 14538300 SYCQFFMSLOVCJQ-UHFFFAOYSA-N 343.471 2.614 0 50 EFAA CCn1nc2c(c1C(=O)N(C)Cc1cccn1C)C[C@@H](C)O[C@H]2C 1857528277 OSHBGARIDDMFGM-OLZOCXBDSA-N 330.432 2.536 0 50 EFAA Cn1nc(C(=O)O)nc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1857706266 NKDFKUUQDWOFOU-SNVBAGLBSA-N 343.412 2.507 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 216839844 LCSYCBKNGLDESY-BEFAXECRSA-N 348.450 2.706 0 50 EFAA CN(Cc1cccc2c1OCO2)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328624264 CJCAAYQMXODUOO-LPHOPBHVSA-N 339.439 2.935 0 50 EFAA CCc1ccccc1OCC(=O)N1CCC(c2ccnn2C)CC1 124964116 SSGKFQPUOHMWRW-UHFFFAOYSA-N 327.428 2.768 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ncnn1CC(F)F 242273544 YDOYTEXLBFMEFZ-XNJGSVPQSA-N 336.386 2.894 0 50 EFAA CCn1cc(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cn1 131883550 RLIAOALLRFGENY-UHFFFAOYSA-N 326.444 2.989 0 50 EFAA COc1ccc(-c2nc(-c3nc(-c4nc[nH]n4)no3)cs2)cc1 345462652 WQPQAZVOLJGJOI-UHFFFAOYSA-N 326.341 2.654 0 50 EFAA CCC(CC)n1nccc1C(=O)N1CCOc2cc(O)ccc2C1 672242969 SVSNRNBZJYXZSW-UHFFFAOYSA-N 329.400 2.985 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Cl)cc(F)c1N 252487953 IFRMXIFVHCUKDT-MRVPVSSYSA-N 338.814 2.773 0 50 EFAA O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCn2cncc2C1 151813873 OWICSJDERMJOBU-GFCCVEGCSA-N 342.830 2.939 0 50 EFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccccn1)C1CC1 364092366 ULZVDEHTBDMZEB-IBGZPJMESA-N 335.407 2.550 0 50 EFAA CCN(CC)C(=O)[C@@H](C)N1CCC(c2ccccc2C(=O)O)CC1 364844179 YJKZDTZHNCIUQS-CQSZACIVSA-N 332.444 2.821 0 50 EFAA O=C(O)[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263573953 NCHMSAHAIUGEES-ZANVPECISA-N 343.210 2.505 0 50 EFAA O=C(O)C[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(F)(F)F 911153225 CRFXSBWZLFTIDQ-GFCCVEGCSA-N 328.290 2.622 0 50 EFAA O=C(Nc1ccnn1C1CC1)N1CCCN(c2ccccc2)CC1 934514471 TUQOVANTOYLAJV-UHFFFAOYSA-N 325.416 2.962 0 50 EFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(F)c(Br)c1 226193482 IHLJZJINQLJVQV-RNCFNFMXSA-N 329.213 2.930 0 50 EFAA O=C(c1cc(C(F)(F)F)cnc1O)N1CC2(CCSCC2)C1 2325782171 ALVAFUOKLPPDDR-UHFFFAOYSA-N 332.347 2.775 0 50 EFAA O=C(CCc1cncnc1)N[C@H]1CCO[C@@H](c2cccc(F)c2)C1 2325799378 RRVZHIYNQSSZFO-DLBZAZTESA-N 329.375 2.585 0 50 EFAA Cc1nc2c(F)cc(NC(=O)NCCCn3ccnc3C)cc2o1 2325803970 NEAQXBDIEWLOTL-UHFFFAOYSA-N 331.351 2.992 0 50 EFAA CC1(C)CN(c2ccnc(-c3cnn(-c4ccccc4)c3)n2)CCN1 2325807726 PFNNNRDSVGWHRN-UHFFFAOYSA-N 334.427 2.518 0 50 EFAA Cn1nc(Cn2ncc3ncc(Br)cc32)cc1Cl 2325819882 SXDGXRAGOJJSRI-UHFFFAOYSA-N 326.585 2.629 0 50 EFAA COC[C@@H]1CC[C@H](c2nc(CCCO)nn2-c2ccc(F)cc2)C1 2325849470 QGOFFHABMRBKAS-KGLIPLIRSA-N 333.407 2.861 0 50 EFAA CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 616977 XXFLGWVLMQTFPL-INIZCTEOSA-N 338.860 2.921 0 50 EFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4cccs4)nc3c12 6661603 KFJGSFQLGPPKMT-UHFFFAOYSA-N 340.456 2.986 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 6715898 JMCOPNSFZRDRMS-UHFFFAOYSA-N 337.851 2.993 0 50 EFAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccccc1Cl 8971074 LTHZCLMINLAMQZ-UHFFFAOYSA-N 342.782 2.746 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2cc(Cl)ncn2)CC1 225419822 CLKRSMPZGIZCNE-CABCVRRESA-N 342.830 2.582 0 50 EFAA CO[C@H]1C[C@@H](CO)N(Cc2ccc(Oc3cccnc3)c(C)c2)C1 343958136 ANQSEYCMHLTFAZ-WMZOPIPTSA-N 328.412 2.764 0 50 EFAA O=C(CSc1nnc(Cc2ccccc2)[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 101948561 FTAILBJBCFGKJB-KKUMJFAQSA-N 342.468 2.792 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 345291879 CMJJSRDAYMEJHA-OALUTQOASA-N 339.435 2.817 0 50 EFAA COc1ccccc1NC(=O)CCNC[C@@H]1CCCN2CCCC[C@H]12 63844513 WSEXWGOLFNQOHB-FUHWJXTLSA-N 345.487 2.878 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)Cc1cc2ccc(F)cc2[nH]c1=O 67803195 KIKSOAZPZAPDNO-UHFFFAOYSA-N 326.375 2.900 0 50 EFAA C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2cnc(C)cn2)C1 67919713 SSWDQNMSTRAYSB-SBNBMVPLSA-N 340.427 2.533 0 50 EFAA CCn1nc(C)c(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C 65420428 FWILBACIGNHMEW-LJQANCHMSA-N 342.487 2.790 0 50 EFAA CC(C)NC(=O)N1CCC[C@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 23215150 LEBUTQZLXLIISK-AWEZNQCLSA-N 345.422 2.914 0 50 EFAA Cc1c([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)cnn1C 171998964 MXIZUJHMDUJJRT-ZDUSSCGKSA-N 345.418 2.793 0 50 EFAA CCn1ncnc1CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425516535 NJCPLVBOJSZZFB-OAHLLOKOSA-N 327.432 2.981 0 50 EFAA CCOc1cc(C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)ccc1OC 252505318 KQNTUNKGJRRCFN-ULQDDVLXSA-N 344.455 2.650 0 50 EFAA CSc1nsc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)n1 281537934 ZEMXVIDVRIFWEJ-SNVBAGLBSA-N 338.462 2.753 0 50 EFAA O=C(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)NC[C@@H]1CCCO1 121018978 KOZYZFVEJHRNRB-QFBILLFUSA-N 341.455 2.990 0 50 EFAA COc1c(I)cc(Br)cc1C=O 2765894 DWCUASQBQQZNIQ-UHFFFAOYSA-N 340.942 2.875 0 50 EFAA Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 282142764 PZRLKCCLUWSOCN-OAGGEKHMSA-N 342.443 2.502 0 50 EFAA O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CC(CO)C1 253394791 APTWMVOJNLFKFR-UHFFFAOYSA-N 325.195 2.848 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@]12CCOc1ccccc12 253431992 ILFAUEPTEDWCER-YWZLYKJASA-N 337.423 2.851 0 50 EFAA O=C1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(F)c(F)c2)CCN1 122734641 XCNVLQOSCNNHEE-KRWDZBQOSA-N 344.361 2.597 0 50 EFAA CN1CC[C@@H](CNCc2ccc([S@](C)=O)cc2)[C@@H]1c1cccnc1 328637733 OTIPLHKZUNMLSI-KDLAUNOPSA-N 343.496 2.602 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CCc2ccccc2)c1 282377880 GLYCEWIFZQOKCL-MJGOQNOKSA-N 325.408 2.962 0 50 EFAA Cn1cnc(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 155263590 KGTYXRNTFMRFLR-UHFFFAOYSA-N 336.351 2.506 0 50 EFAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc1 72174611 YPYFABHEBFANBD-INIZCTEOSA-N 340.427 2.610 0 50 EFAA Cc1nc(CCCC(=O)N2CCc3ccccc3[C@H]2C(=O)O)cs1 262759304 KHGAPNZKLKAUKF-KRWDZBQOSA-N 344.436 2.985 0 50 EFAA CN1C[C@]2(CCCN(c3noc(-c4ccccc4)n3)CC2)OC1=O 72149154 VRFAPITWDOVCRN-QGZVFWFLSA-N 328.372 2.548 0 50 EFAA Cn1nc(Br)cc1C(=O)N1CC=C(c2ccccc2)C1 368906804 UCHMTVXDUSMJDQ-UHFFFAOYSA-N 332.201 2.722 0 50 EFAA Cc1nc(CC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cs1 77318984 PWXKPWIMNJWBJR-MRXNPFEDSA-N 343.496 2.908 0 50 EFAA CCc1nc([C@H](C)NC(=O)c2cccc(OCC(=O)O)c2)cs1 262046541 BFIMQFJNUOGNHT-JTQLQIEISA-N 334.397 2.660 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)n1 77358691 ODZJETFXQWVWTQ-KRWDZBQOSA-N 339.439 2.957 0 50 EFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1csc(CN)n1 236642907 NQHYPMXDDUQLLD-CQSZACIVSA-N 331.441 2.594 0 50 EFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cccc(-n2ccnn2)c1 377582370 FDMMNCUYRVCJJE-PXAZEXFGSA-N 335.367 2.911 0 50 EFAA O=C(Cn1ccccc1=O)N1CCC(Oc2ccccc2Cl)CC1 77428250 AUGNQIJPEUCPOX-UHFFFAOYSA-N 346.814 2.572 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(Br)cn1 284675732 XQDBXCDGORXVBP-IPYPFGDCSA-N 341.249 2.600 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCO1 238195988 YRXPFCJRKPFNDO-GOSISDBHSA-N 339.391 2.598 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)s1 263207526 NBOYMJDUVCBAIC-KBXCAEBGSA-N 327.405 2.967 0 50 EFAA COc1cccc(-c2cc(C(=O)N(C)Cc3c(C)noc3C)[nH]n2)c1 89529316 ZJDVXKPSRLYMSU-UHFFFAOYSA-N 340.383 2.962 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 288972081 BSRIEGJVLQJZAR-CQSZACIVSA-N 330.436 2.564 0 50 EFAA CC(C)[C@@H](NC(=O)Nc1cccc(-n2cnnc2)c1)C(F)(F)F 426667606 POHGUXDCDFSSBG-GFCCVEGCSA-N 327.310 2.976 0 50 EFAA Cc1cc(F)ccc1N1CCC(N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CC1 426705682 KFAOZUWYUNEWTA-TZRIAGMCSA-N 329.463 2.785 0 50 EFAA CN(CCn1ccnc1)C(=O)NCC1(N2CCCCC2)CCCCC1 426360002 ARJUJWRCCRYVSL-UHFFFAOYSA-N 347.507 2.713 0 50 EFAA CCOc1ccc(Nc2ncccc2C(=O)N(C)[C@@H]2CCNC2)cc1 179055404 DTNMGMQNIBZHSW-OAHLLOKOSA-N 340.427 2.658 0 50 EFAA Cc1cnc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)[nH]1 91441553 UQRQBAKAQWFARC-LJQANCHMSA-N 330.476 2.865 0 50 EFAA COc1ccc(F)c([C@@H](C(=O)O)N(C)Cc2cc(C3CC3)[nH]n2)c1 95386595 SWEYHEYUWUXNCK-INIZCTEOSA-N 333.363 2.693 0 50 EFAA CNc1nc(-c2nc([C@H]3CCOC3)nn2-c2ccccc2)cs1 97785668 NMKZOYDPTFIHRQ-NSHDSACASA-N 327.413 2.936 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@@H](c1cccc(F)c1)N(C)C 95377724 PDVYPEJVKYNCHI-QGZVFWFLSA-N 333.407 2.782 0 50 EFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(c2cccnc2)C1 95522555 IOCJDPVAMHZPKF-INIZCTEOSA-N 325.412 2.513 0 50 EFAA CC1=C(CCN2CCN(CCn3cncn3)CC2)C(C)(C)CCC1 97601137 HOQRAIXJXLJEQD-UHFFFAOYSA-N 331.508 2.812 0 50 EFAA COc1cccc(-c2nc(CN3CCC[C@@H]3C(=O)O)cs2)c1OC 237343843 BUZARMVFKWCOFA-CYBMUJFWSA-N 348.424 2.876 0 50 EFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3ncoc3C)O2)CC1 97776114 SLYSJIOTOPMBFP-INIZCTEOSA-N 347.459 2.693 0 50 EFAA O=C(N[C@H]1CCN(c2nnc(C3CCC3)o2)C1)OCc1ccccc1 95384452 XFWURCRYWQCZPT-HNNXBMFYSA-N 342.399 2.842 0 50 EFAA CCc1n[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 97447081 WXCBWCUKJDCITF-JXMROGBWSA-N 338.455 2.752 0 50 EFAA CC(C)Cc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)on1 92020272 YEELEUQGBGUPKJ-UHFFFAOYSA-N 340.383 2.896 0 50 EFAA CCCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3C)C2)[nH]n1 91792855 WIPLJSHBVYSRQE-OAHLLOKOSA-N 326.444 2.927 0 50 EFAA CCCc1cc(N2CCC(NCC3(O)CCCCC3)CC2)nc(C)n1 95523402 HEHWHMNEASSZNP-UHFFFAOYSA-N 346.519 2.991 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(Cl)o2)CC[C@@]1(O)C1CCOCC1 91738268 IWBNDDCWYLVCDV-BZNIZROVSA-N 327.808 2.573 0 50 EFAA COc1cc(-c2cncc(C(=O)N3CCCCC3)n2)c(Cl)cn1 97819552 VNTFAPTTWHZIOW-UHFFFAOYSA-N 332.791 2.827 0 50 EFAA CO[C@@H](C)CCC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 181301908 NCUVWDBLYPAWSC-ZDUSSCGKSA-N 336.407 2.818 0 50 EFAA CCC1=NO[C@@H](CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)C1 244724167 MOZAQIWFVWWGIF-LJQANCHMSA-N 343.471 2.912 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CCC[C@H](O)[C@H]2C)c2c1CCC2 295981624 ITKHVPHPZCMANM-KDOFPFPSSA-N 339.439 2.655 0 50 EFAA O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCOCC1 183381986 VSUMWLCYVWILJN-ZDUSSCGKSA-N 337.363 2.694 0 50 EFAA CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)Cc1cc(C)no1 252496032 PEIKMBSSRLHYPX-UHFFFAOYSA-N 326.400 2.801 0 50 EFAA CN(CCn1cnc2ccccc21)Cc1nc(-c2ccccn2)no1 252488380 IQRYYHXOYCJUPX-UHFFFAOYSA-N 334.383 2.613 0 50 EFAA COCCn1ccc2c(OCC(=O)Nc3ccncc3)cccc21 263587930 MYKZNOOZDUGOSO-UHFFFAOYSA-N 325.368 2.700 0 50 EFAA CCc1cccc(C)c1N1C[C@H](C(=O)N(C)C2CCOCC2)CC1=O 299802615 SWANZYWEAOUXAO-MRXNPFEDSA-N 344.455 2.548 0 50 EFAA O=C1C[C@H](c2ccccc2)CN1Cc1n[nH]c(Cc2cccs2)n1 828248201 RPNWNUYBVYOGQW-AWEZNQCLSA-N 338.436 2.973 0 50 EFAA CCCc1ncncc1C(=O)NC1CCN(Cc2cccs2)CC1 823018951 XCDQEZNMYWMBQC-UHFFFAOYSA-N 344.484 2.885 0 50 EFAA CCO[C@H]1COC[C@@H]1n1cnc2c(Cl)ccc(Cl)c2c1=O 670454584 PVAACIFCAFTKBA-QWRGUYRKSA-N 329.183 2.680 0 50 EFAA CN(C)S(=O)(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 874435085 LBRIVQVDVQBLTC-UHFFFAOYSA-N 345.534 2.502 0 50 EFAA COc1cc2c(cc1OC)[C@@H](C1CC1)N(CC(=O)NCC1CC1)CC2 952883601 OCNQWQVHYXMDIT-HXUWFJFHSA-N 344.455 2.539 0 50 EFAA C[C@@H](CN=c1c(F)c[nH]cc1Cl)c1ccc(S(C)(=O)=O)cc1 1875287123 VTWKQJCSFBHGDJ-JTQLQIEISA-N 342.823 2.915 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)N(CCO)c2ccccc2)cn1 1875281151 RKPDCPTTYAEFJJ-UHFFFAOYSA-N 334.441 2.567 0 50 EFAA Cc1cc(N2CCC(Oc3cnccn3)CC2)nc(C(F)(F)F)n1 1875275776 LZQREOMXJFNXLS-UHFFFAOYSA-N 339.321 2.642 0 50 EFAA CNC1(CNC(=O)c2ncc(Br)s2)CCCCC1 1875282820 UEBFFSCUGDZIER-UHFFFAOYSA-N 332.267 2.558 0 50 EFAA O=C(O)CNS(=O)(=O)c1ccc(-c2cccc3ccccc23)cc1 1875333263 LJZIVDGQBSLOAJ-UHFFFAOYSA-N 341.388 2.870 0 50 EFAA CNC(=O)c1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)c(C)c1 952967199 JXLUZOMWENJKPZ-UHFFFAOYSA-N 343.402 2.564 0 50 EFAA CC1CC(Cn2cnc3c(cnn3CCOc3ccccc3)c2=O)C1 877889707 ODOJHFVTVIRPBU-UHFFFAOYSA-N 338.411 2.718 0 50 EFAA Cc1cccc(Oc2ccccc2CNC(=O)C[C@@H]2CCNC2=O)c1 878755087 BSIHLHLRZYCCRP-HNNXBMFYSA-N 338.407 2.930 0 50 EFAA Cn1nc(O)c2c1CN(C(=O)N[C@H]1CCc3cc(Cl)ccc31)CC2 892285454 XIBCOWGNOORXRA-AWEZNQCLSA-N 346.818 2.534 0 50 EFAA Nc1ccc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)nn1 888078600 AGPRVWZBCBXBNJ-AWEZNQCLSA-N 334.782 2.758 0 50 EFAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(Oc2ccccn2)c1 893944179 WFSIUNSIJWGMMS-WDYCEAGBSA-N 337.423 2.960 0 50 EFAA Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccncc1Br 272696321 RUVOJYVNKIEEFU-QMMMGPOBSA-N 338.209 2.769 0 50 EFAA Cc1ccccc1N1CCN(C(=O)Nc2c(C)nn(C)c2C)CC1 271341235 CFALUWSCAPPAIL-UHFFFAOYSA-N 327.432 2.699 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 276567011 GQXPLJHQLHUOFK-QPUJVOFHSA-N 343.214 2.563 0 50 EFAA Cn1cc(C(=O)N2CCN(c3ccccc3O)CC2)c2ccccc21 171302706 ABNUFXPWQKUCLE-UHFFFAOYSA-N 335.407 2.846 0 50 EFAA CC(C)(C)c1ncc(NC(=O)N[C@@H]2COc3ccccc3C2)cn1 171316970 DLNCZJBQEWKMFD-ZDUSSCGKSA-N 326.400 2.899 0 50 EFAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)n1C 189082747 IKFNGZUFPMNION-GOSISDBHSA-N 339.439 2.679 0 50 EFAA CN(C(=O)c1csnn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190436993 IVMCJQAISOWIRI-RYUDHWBXSA-N 344.223 2.575 0 50 EFAA O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc(C(=O)O)nc1 190627696 JLPDCMANWNEZRF-UHFFFAOYSA-N 328.343 2.771 0 50 EFAA Cn1c(=O)sc2cc(CNCc3ccc(CO)c(F)c3)ccc21 192501005 LWXLILCGPKUTID-UHFFFAOYSA-N 332.400 2.521 0 50 EFAA CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 110693427 DAXUBVIOLMBIKK-BRWVUGGUSA-N 331.460 2.516 0 50 EFAA COC(=O)c1ccc(Br)cc1CSc1nnc(C)[nH]1 225749524 AXKPVFYQSIXLEA-UHFFFAOYSA-N 342.218 2.955 0 50 EFAA CSCCC(=O)N1CCCN(C(=O)CCCc2ccccc2)CC1 1772701837 BSLPIJCBYDRRJV-UHFFFAOYSA-N 348.512 2.823 0 50 EFAA O=C(CSc1nnc(S)s1)n1c(=O)sc2ccccc21 5739984 YFHIYBHIZUTJGF-UHFFFAOYSA-N 341.464 2.636 0 50 EFAA CCn1cc(C(=O)Nc2nccs2)c(=O)c2cc(OC)ccc21 12409417 UNVWHBPNACGCOW-UHFFFAOYSA-N 329.381 2.739 0 50 EFAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@@H]1CCCO1 12712947 BXUAWUYXETUPLF-SFHVURJKSA-N 348.487 2.801 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 13745794 FPTSTPNGCLTGFL-CJNGLKHVSA-N 336.457 2.702 0 50 EFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(C)=O)C1 15062814 PWNACXYKBMQEST-KRWDZBQOSA-N 325.355 2.699 0 50 EFAA Cc1ccccc1N1CCN(C(=O)COc2ccccc2F)CC1 16603153 QJZJSKVMQRHMDK-UHFFFAOYSA-N 328.387 2.862 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1ccc(N(C)C)cc1)CCCC2 169752850 MHTVZOUVKPJJIF-UHFFFAOYSA-N 341.411 2.512 0 50 EFAA CCC1(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2CCOC)C3)CC1 1857528777 MEXPVHWNIHBXMP-QOKNQOGYSA-N 331.460 2.504 0 50 EFAA CCCc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)n[nH]1 1857667160 IQXPGBXCZWCVMF-UHFFFAOYSA-N 349.438 2.993 0 50 EFAA COc1ccccc1CN1CCN(c2ncnc3ccc(C)nc23)CC1 1857680833 VYBQWPPLRZNXRY-UHFFFAOYSA-N 349.438 2.664 0 50 EFAA O=C(O)c1cnc(N2CCc3[nH]nc(C4CC4)c3CC2)c(Cl)c1 1857700777 HMFRXRZARZNTRW-UHFFFAOYSA-N 332.791 2.639 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@H]1CCc1ccccc1 917702243 DGGQATKWQNAKIY-IRXDYDNUSA-N 333.453 2.559 0 50 EFAA COC(=O)c1cn([C@H]2CCCN(Cc3cc(Cl)cs3)C2)nn1 408514831 ZQDSOUSDUKIBAP-NSHDSACASA-N 340.836 2.617 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)c2)cc1 237447355 WXNCUUORHJONMM-KUHUBIRLSA-N 339.439 2.957 0 50 EFAA O=C(NC1(C(=O)O)CCC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 237945196 PUTDOOJMJJQRCV-WDEREUQCSA-N 327.302 2.932 0 50 EFAA O=C(O)CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 238155404 DYRRFVMNCPEQEE-LBPRGKRZSA-N 331.199 2.871 0 50 EFAA CCC1(O)CCN([C@@H](C(=O)O)c2ccccc2Br)CC1 659787905 SLZWWPRRVSRAJS-CYBMUJFWSA-N 342.233 2.812 0 50 EFAA CSCC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 19759077 ZIBSALLTUWXFCF-KRWDZBQOSA-N 333.501 2.505 0 50 EFAA CC(C)(C(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1 367222665 BMFFROIPJPBQSR-AWEZNQCLSA-N 334.847 2.935 0 50 EFAA O=C(O)COc1ccc(NC(=O)CC2CCOCC2)cc1Cl 262126101 PXHMNGJREAQUGT-UHFFFAOYSA-N 327.764 2.559 0 50 EFAA C[C@](CO)(NC(=O)c1csc(-c2ncc[nH]2)n1)C1CCCCC1 907381845 PURPPNFTXZFUMB-MRXNPFEDSA-N 334.445 2.594 0 50 EFAA O=C(NCC1(c2ccccn2)CC1)[C@H](O)c1ccc(Cl)cc1F 813515389 BTTLQSDIZGAXQV-OAHLLOKOSA-N 334.778 2.756 0 50 EFAA C[C@@H](c1ncccn1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 929559657 NNZAGOJYJAKWCX-KRWDZBQOSA-N 348.454 2.541 0 50 EFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 930398110 BBWHRHDKDFPDPV-APIJFGDWSA-N 334.370 2.615 0 50 EFAA COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 314754 SRQCVZDPIDPYHZ-QGZVFWFLSA-N 331.755 2.761 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)c(CC2COC2)c1)C1=NOCC1 2325806536 NWEMFCQEGLBZHV-UHFFFAOYSA-N 328.290 2.609 0 50 EFAA CCn1cc(NC(=O)c2csc(N3CCCCC3)n2)ccc1=O 888279546 JGJKRHGUJOIPIW-UHFFFAOYSA-N 332.429 2.567 0 50 EFAA Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)C1 982389969 GBJVDGIYBCGAFU-INIZCTEOSA-N 346.475 2.575 0 50 EFAA CCOc1nc(NCc2ccccc2)nc(NCc2cccnc2)n1 70505 DBHGNDWVUGWTGL-UHFFFAOYSA-N 336.399 2.890 0 50 EFAA 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O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1cccn1C1CC1 223630922 AKMZOCVATMEVET-SJLPKXTDSA-N 344.386 2.928 0 50 EFAA CCc1nccn1CCC(=O)NCc1ccc(-n2ccnc2C)cc1 222314233 RIYWPAFKXBLNTP-UHFFFAOYSA-N 337.427 2.646 0 50 EFAA Cc1ccccc1SCC(=O)N[C@H]1CCCN(c2ncccn2)C1 46421321 KNSGRERIXJOQGJ-HNNXBMFYSA-N 342.468 2.662 0 50 EFAA CCn1nc(C)c(NC(=O)N(CCO)Cc2ccccc2OC)c1C 89478396 AGIKOROQGIJHLO-UHFFFAOYSA-N 346.431 2.555 0 50 EFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C[C@@]23C=C[C@H]1O3 226756645 PGXMGARYMQEPQY-VIPLHTEESA-N 341.407 2.625 0 50 EFAA O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@]2(CCCO2)CC1 95504905 PZLQERDXZYTYJI-HXUWFJFHSA-N 342.439 2.528 0 50 EFAA C[C@@H]1CN(Cc2cccc(OCCCn3ccnc3)c2)CC[C@]1(C)O 91625975 XEXXRFWFDUXVNR-XLIONFOSSA-N 343.471 2.945 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cc(C)on2)C3)c1 96165104 LKXOIKFOFATMTC-UHFFFAOYSA-N 338.367 2.580 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)CCc2cn3ccccc3n2)C1 91547135 WKQUBRBBOJFJRW-LJQANCHMSA-N 343.427 2.760 0 50 EFAA Cc1ccc2nc(C(=O)NCCCSc3nnc(C)s3)cn2c1 91586580 RAWXYCSFKQZBEY-UHFFFAOYSA-N 347.469 2.715 0 50 EFAA CC(C)c1cc(C(=O)NC2CCN(C3CCSCC3)CC2)no1 97681785 HYFWQPDKRHSGNX-UHFFFAOYSA-N 337.489 2.888 0 50 EFAA CC(C)n1ccnc1C1CCN(C(=O)[C@H](O)c2ccccc2)CC1 91526474 SALZFVRMDONMSW-QGZVFWFLSA-N 327.428 2.904 0 50 EFAA O=C(COc1ccccc1)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 243956777 CDTUHPKBSMVIFU-SPKLELGKSA-N 347.361 2.972 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2ccccc2n1 244678845 ILEQVKXPDMDJOA-SPYBWZPUSA-N 333.391 2.872 0 50 EFAA C[C@H]1CN(C(=O)NCc2ccc3cncn3c2)Cc2ccccc2O1 297591804 RRLNXSKYWBUIGN-AWEZNQCLSA-N 336.395 2.827 0 50 EFAA O=C(c1cc2ccccc2o1)N1CCCN(C2CCOCC2)CC1 364594540 HYSFUMNQVSMJPJ-UHFFFAOYSA-N 328.412 2.760 0 50 EFAA C[C@H](C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)n1cnc2ccccc21 288445702 YWSKETOJTUQDJG-IXERNEQCSA-N 339.439 2.797 0 50 EFAA O=C(CCCn1cccn1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 299762560 XFFMIOOEPAXCRC-HNNXBMFYSA-N 346.862 2.959 0 50 EFAA 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EFAA O=C(c1cnc(-c2cccnc2)s1)N1CCOC[C@@H]1CC1CC1 886467542 GKFGQQLFWBNKEX-AWEZNQCLSA-N 329.425 2.846 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnn4ccncc34)cc2)n1 1350811984 CZMPHGPWWCHCRJ-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA Cc1cnc(CCC(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)[nH]1 1775998974 LWUPPELCZRCDEX-CQSZACIVSA-N 330.407 2.527 0 50 EFAA COC1(OC)CC2(CN(C(=O)c3cnsn3)[C@@H]2c2ccccc2)C1 898337286 FBYPYWHTIPXICA-CQSZACIVSA-N 345.424 2.505 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NC[C@@H]1CCCOC1 408522090 CTDMTQLMBXCDJM-UONOGXRCSA-N 340.464 2.565 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@]12CCCO2 273496889 AAFSJQNRCQEKEN-IOASZLSFSA-N 329.318 2.560 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1 275582257 PCVBEHUKDGOVDK-DYZYQPBXSA-N 345.353 2.831 0 50 EFAA CC1(C)CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[C@@H]1O 275857816 LZRPWDAQXSLVIW-JTQLQIEISA-N 338.458 2.891 0 50 EFAA O[C@H](CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccccc1 279149413 ARHFUFZSZMFVOE-ZWKOTPCHSA-N 340.471 2.918 0 50 EFAA CCc1cnccc1[C@H](C)NC(=O)c1cn(C)nc1C1CCOCC1 644417755 NWIDZUJPZAOFGD-ZDUSSCGKSA-N 342.443 2.763 0 50 EFAA C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C 193343544 CZWVLVKDIBMRHU-MLGOLLRUSA-N 348.397 2.540 0 50 EFAA Cc1ccccc1-c1nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)no1 195539828 SYNHGWURLRTAKH-TZMCWYRMSA-N 341.333 2.933 0 50 EFAA CO[C@@H](CNC1CCN(C(=O)c2ccncc2)CC1)c1cccs1 1506414043 BRDXCHAHVURYRB-INIZCTEOSA-N 345.468 2.725 0 50 EFAA COCCN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 11842616 MRYYICVPAMICSG-UHFFFAOYSA-N 342.754 2.765 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCCCCC1 12057024 OEHNRRMAJNNSOF-IBGZPJMESA-N 334.435 2.555 0 50 EFAA O=C(CCc1ccccn1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12320776 YLXWTTHLJSYMPF-FQEVSTJZSA-N 349.478 2.762 0 50 EFAA COc1cccc(C(=O)NCCC(=O)Nc2ccc(C(C)=O)cc2)c1 12380142 XQNQJTKOMMTFSG-UHFFFAOYSA-N 340.379 2.656 0 50 EFAA O=C(NCc1ccncc1)c1coc(COc2ccc(F)cc2)n1 15072607 BQIVNJGPEUBKCE-UHFFFAOYSA-N 327.315 2.718 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)CC2)c(OC)c1OC 19552802 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COc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(OC)c1 1529159024 MPPIULAULJUALR-GEEKYZPCSA-N 346.471 2.895 0 50 EFAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC[C@]2(CCC[C@H]2O)C1 1704304404 NFIPTHLEHPRKTD-VQIMIIECSA-N 344.386 2.847 0 50 EFAA Cc1ccc(-n2nc(CC(N)=O)nc2[C@H]2C[C@@H]2c2ccccc2)cc1 1615691429 KEHSHOYDNILQPO-SJORKVTESA-N 332.407 2.875 0 50 EFAA O=C(CCOc1ccccc1)N1CCC(c2ccnc(O)c2)CC1 1772811293 STAJHMLIXIZMII-UHFFFAOYSA-N 326.396 2.962 0 50 EFAA COc1cccc(C(=O)C2CCOCC2)c1OCCCn1ccnc1 1772812693 OTZUTVJXYBTNCM-UHFFFAOYSA-N 344.411 2.970 0 50 EFAA CCCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 5868636 DFNWJFHZQWIUJO-OAHLLOKOSA-N 334.441 2.831 0 50 EFAA O=C1CCN(C(=O)[C@@H]2CC=CCC2)CCN1Cc1cccc(F)c1 12040591 SJDHDZRBLQOIJY-MRXNPFEDSA-N 330.403 2.743 0 50 EFAA CC(C)CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 12382286 RNYQGEHTPQUXDJ-UHFFFAOYSA-N 327.409 2.809 0 50 EFAA CCN(CCn1cccn1)Cc1nc(Cc2cccc(F)c2)no1 13593822 CDOHORJVXCLJRH-UHFFFAOYSA-N 329.379 2.518 0 50 EFAA CN(c1ccccc1C(=O)N1CCCc2ccccc21)S(C)(=O)=O 13668299 VTQYZDAUVXQAGP-UHFFFAOYSA-N 344.436 2.675 0 50 EFAA CCCc1[nH]c([C@H]2CC(=O)N(CCOC)C2)nc1-c1ccccc1 19787155 IEQONFBJGTWLTM-HNNXBMFYSA-N 327.428 2.992 0 50 EFAA N=c1cc(-c2nccn2-c2ccc(CCC(=O)NC3CC3)cc2)cc[nH]1 1857688087 SVNPVLRZLCFABS-UHFFFAOYSA-N 347.422 2.558 0 50 EFAA CC(C)(C)c1ccc(-c2cc(=NC(=O)[C@H]3C[C@H]4CC[C@@H]3N4)[nH][nH]2)cc1 1875245682 LPXOWKDQPLQTGD-PMPSAXMXSA-N 338.455 2.875 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)NC[C@H]3CCCC[C@@H]3O)c12 305835813 PLMCHMPAOBYEBD-CJNGLKHVSA-N 345.443 2.569 0 50 EFAA Cn1c(C(=O)N2CC[C@H](N)C2)ccc1-c1ccccc1Br 237715149 XQXOKQAAPPRSOL-NSHDSACASA-N 348.244 2.628 0 50 EFAA Cc1ccc(Br)cc1C(=O)N[C@@H](CC1CC1)C(=O)O 261596537 OSJFIXPSSCXUCT-LBPRGKRZSA-N 326.190 2.741 0 50 EFAA CN(C)c1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2n1 159689325 IMUGGGUJTHQOGH-ZDUSSCGKSA-N 327.428 2.988 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1 262771906 BHNGDVPYXYNACI-RDTXWAMCSA-N 337.423 2.512 0 50 EFAA CC(C)c1ccoc1C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)O)cc1 262907211 JFWRXEPIAITBMK-LLVKDONJSA-N 344.367 2.858 0 50 EFAA CCc1noc(C(=O)NCc2ccc(CN3CCCCC3)cc2)n1 902614521 ZDLFORSBMPAJHG-UHFFFAOYSA-N 328.416 2.548 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnc3[nH]c(CC4CC4)nc23)C2(CCC2)CO1 824008947 HPQDRICNYAYNQT-GFCCVEGCSA-N 340.427 2.694 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)F)ncn1 935866337 FQEQCCQZELYYPO-YOGCLGLASA-N 347.369 2.699 0 50 EFAA CSC[C@@H](C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 847216408 PKXYSLWYVPFSHK-BDAKNGLRSA-N 344.399 2.557 0 50 EFAA Cc1cc(NC[C@@H]2CCCO[C@H]2c2nccn2C)nc(C2CC2)n1 858008660 UGCZQYWUMHMOTH-GOEBONIOSA-N 327.432 2.976 0 50 EFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c1 126795 FDWWHZSGUFPOAW-INIZCTEOSA-N 330.384 2.809 0 50 EFAA Cc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F 1070724 QIWDQMBIKITZAJ-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc2sccn32)cc1 4722079 KTTUITCRTCMZDO-GFCCVEGCSA-N 341.392 2.629 0 50 EFAA Cc1cccc(OCC(=O)NC(=S)Nc2cc(C)ccc2O)c1 455988 MNKQVJDUDHAKNE-UHFFFAOYSA-N 330.409 2.901 0 50 EFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2ccncc2C)C1(C)C 1074605019 NIQJOPDTTSFZFE-HNAYVOBHSA-N 331.460 2.585 0 50 EFAA CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2ccccc21 565192 RXFWJZKSYLVLEY-IBGZPJMESA-N 325.364 2.609 0 50 EFAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1 1066978 ZPMFEBACYHQTHS-UHFFFAOYSA-N 334.348 2.991 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 1139681 VKMXCIDWPMDYGM-SGMGOOAPSA-N 327.446 2.807 0 50 EFAA CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 2820907 IKMGLRRLRGHWOF-UHFFFAOYSA-N 333.409 2.753 0 50 EFAA CCc1ccccc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 6701807 JGVHCBBOEHCZEK-UHFFFAOYSA-N 348.443 2.899 0 50 EFAA CCCc1nc(CN(CC)C(=O)CCn2cnc3ccccc32)no1 55244836 MBKULIQEXHUZEC-UHFFFAOYSA-N 341.415 2.811 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ncccc1C(F)(F)F 344597126 REFMDBWTZXWHGN-BPUTZDHNSA-N 344.377 2.852 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 10302208 NNBFPEXWPNZGPA-OAHLLOKOSA-N 338.473 2.810 0 50 EFAA Cc1c(C(=O)N(C)c2ccccc2)cccc1N(C)S(C)(=O)=O 65362442 SLSWNWYNSVTSOX-UHFFFAOYSA-N 332.425 2.667 0 50 EFAA Cc1sc2nc(CCN)nc(N(C)CCc3ccccn3)c2c1C 65382588 VSYGOCAUAAZSGH-UHFFFAOYSA-N 341.484 2.883 0 50 EFAA COc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)c(OC)c1C 67432192 ICEOZCYTKBIXPZ-CQSZACIVSA-N 346.427 2.932 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1 347953944 UCVFPWUWFJKWRL-DGCLKSJQSA-N 346.324 2.806 0 50 EFAA COCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100574 FVPAWHPWULATLS-UHFFFAOYSA-N 342.842 2.844 0 50 EFAA Cc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc(N2CCCC2)n1 219883526 YPPQABFAPKKVKX-INIZCTEOSA-N 336.439 2.981 0 50 EFAA COc1cccc(C[C@@]2(C(=O)O)CCCN(Cc3cccnc3)C2)c1 71721523 PULZWFMYCIIPPF-FQEVSTJZSA-N 340.423 3.000 0 50 EFAA C[C@@H](c1ccon1)N(C)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 12035456 OORKGZQFEGQUGN-MEDUHNTESA-N 331.347 2.721 0 50 EFAA CC1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1 252477899 XKRJHZGHGAFZAU-BRWVUGGUSA-N 344.455 2.880 0 50 EFAA CC[C@H](C)NC(=O)CN1C[C@H](C)Oc2ccc(Br)cc21 252539723 OLCQAHQSKRMPEI-QWRGUYRKSA-N 341.249 2.951 0 50 EFAA CCOC(=O)C1=NO[C@H](COc2ccc3ccccc3c2C=O)C1 167886 FUZGFHLLZKAXNJ-ZDUSSCGKSA-N 327.336 2.739 0 50 EFAA COc1cccc(C[C@]2(CO)CCCN(c3nc(C)ncc3C)C2)c1 67650134 WYEJMJRDYGPOAY-HXUWFJFHSA-N 341.455 2.924 0 50 EFAA COC(=O)c1cc2c(=O)n(CCc3cccs3)ccc2nc1C 36125552 FDSUKIJMSZQCJJ-UHFFFAOYSA-N 328.393 2.796 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N=c2nc(C(C)C)[nH]s2)cn1 328617619 CXSAAHFTHHYPFO-YPMHNXCESA-N 334.449 2.572 0 50 EFAA O=C(NC[C@@H]1CCSC1)NC1CCN(C2CCCCC2)CC1 253425202 BHKOTSMUFKPWSN-AWEZNQCLSA-N 325.522 2.836 0 50 EFAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc(-n2cccc2)cc1 123420470 LJQDVGXWFHQYBL-UHFFFAOYSA-N 348.468 2.763 0 50 EFAA O=C(CSC[C@@H]1CCCCO1)NCc1nccn1-c1ccccc1 282912701 XTSAXQHMVHYVFC-INIZCTEOSA-N 345.468 2.791 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@](C)(O)c2ccccc2)C1 368853192 JAMZKADFYNHJPT-HKUYNNGSSA-N 330.428 2.790 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)c2cn(C)c3ccc(F)cc23)C1 369797949 AANCNXFPJWMDES-LBPRGKRZSA-N 326.375 2.681 0 50 EFAA Cc1cccc(N2CCC3(CCCN3Cc3nccn3C)CC2)n1 72410843 ZESDMBROKRDQGI-UHFFFAOYSA-N 325.460 2.759 0 50 EFAA C[C@@H]1Cc2cc(-n3ccnc3-c3cc4n(n3)CCCNC4)ccc2O1 72429838 KRFBQTIVPRPVKE-CYBMUJFWSA-N 335.411 2.553 0 50 EFAA c1ccc2c(c1)CC[C@H](Cn1ccnc1-c1cc3n(n1)CCCNC3)O2 72470351 KJFNFSBYQDUZSU-QGZVFWFLSA-N 349.438 2.634 0 50 EFAA C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 237626272 CYMPHEBOWHMPJZ-TVQRCGJNSA-N 345.226 2.720 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 238063494 RTNHJTLZIRFSTA-FQEVSTJZSA-N 337.375 2.699 0 50 EFAA CC(C)N(C)CCNC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 245388786 FITGSZLULNWYHN-MSOLQXFVSA-N 333.476 2.794 0 50 EFAA Cc1noc(C2(C)CCN(C(=O)[C@H]3Cc4c(C)cccc4O3)CC2)n1 450519999 UFHCYMZTGBYCEM-MRXNPFEDSA-N 341.411 2.570 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3cnc(SC)n3C)cc2c1 223327021 XBASCYGQNFFVBZ-UHFFFAOYSA-N 330.413 2.562 0 50 EFAA O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1 337587791 AUBLRHCFDOFKLO-UHFFFAOYSA-N 334.423 3.357 0 50 EFAA COc1cccc(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)c1 263423893 JJENSGJGFVGWIU-SFHVURJKSA-N 341.407 2.782 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)c1cn3ccsc3n1)CC2 82316819 IKWALQPOMHOYGU-UHFFFAOYSA-N 343.408 2.612 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 44670717 MLXHSDCSBUGOLZ-SNVBAGLBSA-N 330.381 2.623 0 50 EFAA CN1C[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CC1=O 160466653 FETZVJSSRLILLC-CQSZACIVSA-N 349.390 2.835 0 50 EFAA Cc1cc(F)ccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82147027 KJMHWQNYNZOAEN-HXUWFJFHSA-N 348.462 2.721 0 50 EFAA Cc1cccc(C)c1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82107225 PFJHCKBGHVHFAG-OAQYLSRUSA-N 344.499 2.890 0 50 EFAA CCOC[C@H](O)CNC(=O)c1cccc(-c2ccc(F)cc2C)c1 426511950 BLBBGZVZIYDTPP-QGZVFWFLSA-N 331.387 2.928 0 50 EFAA Cc1ccccc1CCNC(=O)N(C)CCc1noc(C(C)C)n1 426701664 RZEWBWCGYIBKOP-UHFFFAOYSA-N 330.432 2.928 0 50 EFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cc(C)no1)CC2 426634292 ODKSDOLVXVGNJQ-HHXXYDBFSA-N 343.427 2.969 0 50 EFAA CNc1nc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cs1 91505469 HKOXRPJAPWLUAS-WMLDXEAASA-N 343.500 2.676 0 50 EFAA O=c1[nH]c(I)ccc1OCc1ccccc1 144591125 YPTMHYUMUZBYBF-UHFFFAOYSA-N 327.121 2.559 0 50 EFAA Cc1nscc1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 179681230 LNAXVNNZHRTCCM-UHFFFAOYSA-N 332.425 2.930 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCc2noc(-c3ccccc3)n2)C1 95382537 CWOLNHLCGIWIKF-IBGZPJMESA-N 342.443 2.517 0 50 EFAA CC(C)N(C)CCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95376360 AHJKCAYNDZBDAP-QGZVFWFLSA-N 332.444 2.821 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)c1[nH]c2ccc(C)cc2c1C 91914637 JIRIPBKFOGPILL-UHFFFAOYSA-N 340.427 2.807 0 50 EFAA Cc1nn(CCCNC(=O)[C@H]2CCCCCN2C)c(C)c1Cl 95370916 BQQWIPPFHJKPJO-CQSZACIVSA-N 326.872 2.534 0 50 EFAA CCN(Cc1ccc(Cl)s1)C(=O)c1cn(C)nc1COC 294414403 LGXPISYIKVACFD-UHFFFAOYSA-N 327.837 2.944 0 50 EFAA CO[C@@]1(C)C[C@@H](O)C12CCN(c1cccc(C(F)(F)F)n1)CC2 91381940 COTUCIBWJRMXAU-OCCSQVGLSA-N 330.350 2.857 0 50 EFAA C[C@@H](c1ccncc1)N(C)C(=O)C1CCN(C(=O)C2CCC2)CC1 91586101 PIWJTYFESWTRPP-AWEZNQCLSA-N 329.444 2.640 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@]23CCc2ccccc23)c(C)o1 181317045 QUNGGEWXKCEHTI-QAPCUYQASA-N 345.420 2.605 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc(C)ccc2C)[C@H]2C[C@@H](O)C2)cn1 252553135 VGJFOOFRVQSION-FCEWJHQRSA-N 340.423 2.949 0 50 EFAA O=C(COCC(F)(F)C(F)F)NCc1ccnc2ccccc12 299773196 DBHXQSFWRQEPIK-UHFFFAOYSA-N 330.281 2.768 0 50 EFAA COc1ccc(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)c(OC)c1 299755528 BBCDOKLIJAGJDY-GOSISDBHSA-N 341.407 2.926 0 50 EFAA CC(C)[C@@H](CO)NC(=O)NCc1cc(-c2ccccc2Cl)on1 584888419 DJFNLZSJIUUWTG-CQSZACIVSA-N 337.807 2.811 0 50 EFAA Cc1ccc(C[C@]2(C)CCCN2C(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 871078256 JFUDPOPBBSOVKB-HKUYNNGSSA-N 347.480 2.867 0 50 EFAA COCC(=O)N1CCc2c(NCc3ccc(C)nc3C)cccc21 1875284981 XVZFYUMMEQOHTC-UHFFFAOYSA-N 325.412 2.846 0 50 EFAA CCCCc1ncc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)[nH]1 952965992 HNBMGSOTTAAHPP-AWEZNQCLSA-N 330.432 2.740 0 50 EFAA O=C(O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)CCC1(F)F 1875397179 OTPPWHGATRIXTE-YNEHKIRRSA-N 338.354 2.534 0 50 EFAA CCc1c(C)nn(CC(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)c1C 952974872 BTSDDXPQHRXNOT-GFCCVEGCSA-N 341.415 2.631 0 50 EFAA Cc1ncc2n1CC[C@H](C(=O)Nc1ccnc(N3CCCCC3)c1)C2 888576110 KOOVOBHAKNDSLY-HNNXBMFYSA-N 339.443 2.778 0 50 EFAA Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(O)c(F)c2)C(=O)O)c(C)c1 1775998956 NBRSQKHMGVNXJY-HNNXBMFYSA-N 345.370 2.882 0 50 EFAA O=C(CCSc1ccccc1Br)NCC1=NOCC1 1776006069 MELMPPRMEYTZEM-UHFFFAOYSA-N 343.246 2.824 0 50 EFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(F)c(F)c1 1565529616 HYMAKWWLTMCWIT-DOMZBBRYSA-N 348.393 2.828 0 50 EFAA CNC1(CNC(=O)Nc2cccc(N3CCCC3=O)c2)CCCCC1 1464971561 MIFODXWEJUVVBC-UHFFFAOYSA-N 344.459 2.857 0 50 EFAA C[C@@H](COc1c(F)cccc1F)NC(=O)Nc1cccc(C(N)=O)c1 1364068429 IHTVRCUPYTZUIB-JTQLQIEISA-N 349.337 2.653 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)c2cnn3ccccc23)o1 408512949 UZVUSYMRYAAEIX-MRXNPFEDSA-N 325.368 2.703 0 50 EFAA Cc1c([C@H](C)NC(=O)CNC[C@@H]2CCCO2)oc2ccc(F)cc12 170048841 UFFNHPCFCNLDJQ-JSGCOSHPSA-N 334.391 2.826 0 50 EFAA Cc1nc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c2cnn(C)c2n1 170650044 GOJMPCWHFOYICW-BUBHHJDNSA-N 343.456 2.607 0 50 EFAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC12CCC2 170654310 NKDPBPVSQNAABB-QWHCGFSZSA-N 338.448 2.902 0 50 EFAA Cc1cc(NC(=O)CCNC2(c3ccc(F)cc3)CCOCC2)no1 170972108 OUDWGUNSFOKWSA-UHFFFAOYSA-N 347.390 2.746 0 50 EFAA COc1cccc([C@H](C(=O)O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 634693413 XGISNUNAXNXDMU-LEWSCRJBSA-N 347.333 2.863 0 50 EFAA Cc1nnc(CC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)o1 187693156 DHKDUSIERSOTSF-IINYFYTJSA-N 335.791 2.563 0 50 EFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCc2cccnc21 192839962 YVLDHBUNDQJTOM-WMZOPIPTSA-N 349.434 2.703 0 50 EFAA C[C@H]1CCCN(C(=O)NCc2nn(C)cc2Br)CC1 331574725 ZCGIWRBWGUWLDR-JTQLQIEISA-N 329.242 2.514 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCCO1 11753407 LEKOXSJUEGWLTE-GOSISDBHSA-N 339.439 2.903 0 50 EFAA CO[C@H]1CCC[C@@H](c2nc(-c3ccsc3S(C)(=O)=O)no2)C1 1857528091 CVHONVIQTOWDJI-ZJUUUORDSA-N 342.442 2.874 0 50 EFAA COc1cnc(C)cc1C(=O)N[C@@H](Cn1cccn1)c1ccccc1 1857673888 MZNSUVFINLNGMW-KRWDZBQOSA-N 336.395 2.766 0 50 EFAA CCCCOc1ccccc1C(=O)N1CC[C@H](O)[C@@](CO)(CCC)C1 1857721781 FYSXPVZRMAMYAL-ICSRJNTNSA-N 349.471 2.851 0 50 EFAA C[C@@H]1C[C@H](C(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)CO1 668289402 XGQPSRZLQFQTEL-OLBFVZFUSA-N 346.210 2.834 0 50 EFAA Cc1cc(C)c2c(=NC(=O)c3cc(-c4ccccc4)on3)[nH][nH]c2n1 1875240754 HVEDCVWWAJSZLO-UHFFFAOYSA-N 333.351 2.904 0 50 EFAA C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCC[C@H](O)C1 303984590 HPSZJOIXCIFFDC-ZBFHGGJFSA-N 340.423 2.828 0 50 EFAA CNC(=O)[C@@H]1CCCN(Cc2cccc(CN3CCCCC3)c2)C1 411259563 WXKLCXRLFGORIC-LJQANCHMSA-N 329.488 2.631 0 50 EFAA O=C(c1n[nH]c2ccccc2c1=O)N1CCC(Oc2ccccc2)CC1 111579461 BFBRMODQPDHUTR-UHFFFAOYSA-N 349.390 2.607 0 50 EFAA COc1ccc(CN(C(=O)C[C@H]2COC(=O)C2)[C@@H](C)C2CC2)cc1 122894935 FHUOFSUZGSXGBX-DZGCQCFKSA-N 331.412 2.776 0 50 EFAA N[C@H]1CCCO[C@H]1C1CCN(c2cncc(-c3cccs3)n2)CC1 333470524 ASEHOGWEJNXWPA-KSSFIOAISA-N 344.484 2.928 0 50 EFAA Cc1cnn([C@@H]2CCN(S(=O)(=O)c3sccc3Cl)C2)c1 333689920 MJVJWOUOSHIPMK-SNVBAGLBSA-N 331.850 2.542 0 50 EFAA CC(C)Cc1nnc2n1CCN(C(=O)c1ccc(Cl)c(F)c1)C2 252539834 OMDNOZGOFFXUQC-UHFFFAOYSA-N 336.798 2.925 0 50 EFAA Cc1ncc(CN2CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 253419939 SYWVYLUYTKRSJE-JOYOIKCWSA-N 335.395 2.731 0 50 EFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccccc2F)cc1 371805803 RJFLEVNVKVBAJT-SFHVURJKSA-N 340.398 2.942 0 50 EFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccccc2F)cc1 371805802 RJFLEVNVKVBAJT-GOSISDBHSA-N 340.398 2.942 0 50 EFAA CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](C(=O)O)[C@H](C)C1 900965993 QZRHDWGQTVLJOM-PSASIEDQSA-N 330.306 2.850 0 50 EFAA Cn1nc(C(=O)N2CCC(c3nccs3)CC2)cc1C(F)F 931589135 IGSWUKOVXFDEAM-UHFFFAOYSA-N 326.372 2.834 0 50 EFAA Cc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1Cl 376116 GQZNQGDFHJDWNT-UHFFFAOYSA-N 329.585 2.792 0 50 EFAA O=C(NC[C@H]1CCCO1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 1431365 KRNXOOSGEHCJNG-LLVKDONJSA-N 341.289 2.664 0 50 EFAA Cn1c(CC(=O)NCCO)c(Sc2ccccc2)c2ccccc21 2500613 UBQRFZPGEZMWSR-UHFFFAOYSA-N 340.448 2.981 0 50 EFAA COC1(CNC(=O)N2CCS[C@H]3CC[C@H]32)CCC(F)(F)CC1 2325756526 QDPSGELYFIPEOL-NEPJUHHUSA-N 334.432 2.870 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@@H](NC(=O)[C@H]4[C@@H](C)[C@H]4C)C3)[nH]c12 2325842664 DWQXHLPZAGKTEG-IARIHHJXSA-N 339.439 2.709 0 50 EFAA O=C(Nc1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 194218 GJUPPFYXYGAPLF-OLZOCXBDSA-N 327.359 2.639 0 50 EFAA biogenic COc1cc(OC)cc(C(=O)NC(=S)Nc2ncccc2C)c1 456274 DQVDTPILPLKPSV-UHFFFAOYSA-N 331.397 2.534 0 50 EFAA Cc1noc([C@H](NC(=O)N(C)Cc2ccccc2N(C)C)C(C)C)n1 1365282451 PLHBNMSYGZYWAA-MRXNPFEDSA-N 345.447 2.983 0 50 EFAA Cc1ccc(F)c(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1 10820735 BXKXXENCGLEMTP-UHFFFAOYSA-N 328.343 2.807 0 50 EFAA Cc1nc(-c2cc(NC(=O)[C@H]3CCOC3)cc(C(F)(F)F)c2)n[nH]1 416257388 CELMARRDWDSDCT-VIFPVBQESA-N 340.305 2.774 0 50 EFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCc1c(C)n[nH]c1C 55100457 MTUUEGYHGRQUPJ-QGZVFWFLSA-N 330.432 2.585 0 50 EFAA Cc1ccc(CNC(=O)NCC(C)(C)C2(O)CCOCC2)cc1F 416749436 JCCUCKXYWMBTOP-UHFFFAOYSA-N 338.423 2.501 0 50 EFAA CC(C)c1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)[nH]n1 55393095 PQLATEWIBCSHGB-HNNXBMFYSA-N 328.416 2.750 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](O)C4)cc2)n1 102378680 FKRQUEMVWUHELR-BWTSREIZSA-N 339.439 2.676 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C=C(C(C)(C)C)[C@H]2[C@@H]2C(C(C)(C)C)=C[C@H]21 104295119 FHSHJADOYHDXJQ-HJPIBITLSA-N 329.444 2.649 0 50 EFAA O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCCC1 63146374 CADDTCTWLJDGOS-UHFFFAOYSA-N 330.409 2.723 0 50 EFAA Cc1ccccc1NC(=O)CNc1cc(N2CCCCC2)ncn1 65503241 PGTWXYHFELYRNZ-UHFFFAOYSA-N 325.416 2.826 0 50 EFAA CCOC(=O)C1(C(=O)Nc2cccc(C(F)F)c2)CCOCC1 351844843 NLEVPPSZIVDAJE-UHFFFAOYSA-N 327.327 2.923 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)OC 67754431 GQFWOTIRBFWMND-UHFFFAOYSA-N 330.384 2.924 0 50 EFAA CC(=O)N1CCCN([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C)CC1 229918758 MHUFENSKMHQOLD-HNAYVOBHSA-N 349.906 2.715 0 50 EFAA Cn1nccc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67447221 SURJPJCBPMRFLY-PKOBYXMFSA-N 335.407 2.564 0 50 EFAA Cc1nc(O)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 230198251 KRCDHIJCKPALCM-WBVHZDCISA-N 347.365 2.549 0 50 EFAA CN(C(=O)CN1CCO[C@@H]2CCCC[C@H]21)c1nc2ccccc2s1 230113763 OMJAPGMVOIXOBJ-HUUCEWRRSA-N 345.468 2.903 0 50 EFAA COc1ccccc1CNC(=O)CNCc1nc2c(C)cccc2o1 65410418 CVHHIBNXJSQNDY-UHFFFAOYSA-N 339.395 2.551 0 50 EFAA O=C(O)[C@@H]1CCCN1C1CCN(Cc2cc3ccccc3o2)CC1 325533733 JRBUDVLEDCZAJS-KRWDZBQOSA-N 328.412 2.946 0 50 EFAA Cc1ccc2c(CC(=O)N3CCO[C@H](c4ncon4)C3)coc2c1C 328587215 IDHPOQXJGFCBDI-HNNXBMFYSA-N 341.367 2.575 0 50 EFAA CC(C)c1cc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n[nH]1 328630492 PYYOUWUJVDHWEL-YJBOKZPZSA-N 341.459 2.693 0 50 EFAA CCc1nccn1[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 253419980 SZPMZKSVTCOUDS-HNNXBMFYSA-N 326.448 2.677 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCNCC2)c(Br)c1 361079197 KHAVRWCJJKQNFP-DZGCQCFKSA-N 337.261 2.875 0 50 EFAA Nc1nccnc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 124040679 GAPWQHZNHKACJW-HOTGVXAUSA-N 340.427 2.567 0 50 EFAA COc1ccccc1/C=C/C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 363938231 KCEUDSOOPHJTMS-RQWLHQTBSA-N 348.402 2.831 0 50 EFAA COc1ncccc1C(=O)N1CCC(OCc2ccccc2)CC1 71796258 SYPRGPHYYDIUOC-UHFFFAOYSA-N 326.396 2.912 0 50 EFAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1cnn(C)c1 175448647 CZGZJRSWJKEQMM-NWDGAFQWSA-N 341.864 2.886 0 50 EFAA CN1CCC(C(=O)N2CCC[C@@H](N(C)C)CC2)(c2ccccc2)CC1 72428214 NBHHQKQGIRXRTQ-LJQANCHMSA-N 343.515 2.593 0 50 EFAA NC1(c2noc(-c3cnc(-c4ccc5c(c4)OCO5)s3)n2)CCC1 261627803 CHKKAIYTXNZOKD-UHFFFAOYSA-N 342.380 2.927 0 50 EFAA C[S@](=O)c1ccc(CC(=O)N2CCOc3c(F)cccc3C2)cc1 369713438 URXCYIINMDDMFO-DEOSSOPVSA-N 347.411 2.527 0 50 EFAA Cc1oc(CNC(=O)[C@H]2SCCc3ccccc32)cc1C(=O)O 262938200 HFLRVQMRPCUJLW-HNNXBMFYSA-N 331.393 2.933 0 50 EFAA Cc1cccc(C)c1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 77488334 YGESRPJIGKOEDT-HXUWFJFHSA-N 330.472 2.500 0 50 EFAA O=C(CN1CC[C@H]2[C@H](C1)C2(F)F)Nc1ccc(N2CCCC2)cc1 241144887 JTXZZRUKVADWJQ-HOTGVXAUSA-N 335.398 2.812 0 50 EFAA Cc1ccc2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)ccc2n1 286505974 IWKMOXKTTFPYHF-SJLPKXTDSA-N 339.439 2.966 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1ccc(C(F)(F)F)cc1 285683122 AHRDLULYWJVYBE-MWLCHTKSSA-N 338.333 2.806 0 50 EFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1nccnc1N 286707514 CJJLUDKBNKEJTR-JSGCOSHPSA-N 326.400 2.681 0 50 EFAA Cc1ccc2ncc(C(=O)N(CC(F)(F)F)C3CCC3)c(=O)n2c1 175964712 RQGZQWPBHNBSKK-UHFFFAOYSA-N 339.317 2.560 0 50 EFAA COc1cc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)ncn1 19225965 RKKIYNHYKVMCOH-UHFFFAOYSA-N 346.394 2.798 0 50 EFAA COCCCN1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 426424224 IIDAHOAGQUCVCW-ZDUSSCGKSA-N 334.391 2.660 0 50 EFAA CCOc1cc(NC(=O)NC2CCC(C(=O)O)CC2)ccc1OC 263507767 WJQSGJFMMSCLIC-UHFFFAOYSA-N 336.388 2.859 0 50 EFAA O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220334 VOFQENQIRRLVSD-KDOFPFPSSA-N 342.418 2.748 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 426615587 UDQPZHBHEKBFTC-IJEWVQPXSA-N 343.345 2.850 0 50 EFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCC3CCOCC3)CC2=O)cc1 91574431 OFNLGASNMJPBLJ-KRWDZBQOSA-N 344.455 2.706 0 50 EFAA CC[C@H](NC(=O)c1cc(-c2ccccc2F)n[nH]1)c1ccnn1C 91746115 RRGYOSJRXPZXKC-ZDUSSCGKSA-N 327.363 2.830 0 50 EFAA COCc1cc(CN(C)C(=O)c2[nH]c3ccc(OC)cc3c2C)n[nH]1 97425224 JITNBBIZNQSPEN-UHFFFAOYSA-N 342.399 2.627 0 50 EFAA COCCOc1cccc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)c1 96165906 WOCJUAHRXJTDID-OAHLLOKOSA-N 347.459 2.802 0 50 EFAA O=C1CC2(CCCC2)CN1CC(=O)N1CCCC[C@@H]1c1nccs1 95498378 HNXJSORXDCJANM-CQSZACIVSA-N 347.484 2.989 0 50 EFAA Cc1cc(=O)oc2cc(NC(=O)N3C[C@H]4CCC[C@@]4(CO)C3)ccc12 95517267 PLGTWEKXEXFKEM-YJYMSZOUSA-N 342.395 2.728 0 50 EFAA COCCn1cnnc1CN(C)Cc1c(OC)ccc2ccccc12 97572157 WYZPHGSXVTZAHB-UHFFFAOYSA-N 340.427 2.718 0 50 EFAA O=C(NC[C@H]1COc2ccccc2C1)c1ccc(SCCO)cc1 92096626 LCNGRBRIVHYTDC-AWEZNQCLSA-N 343.448 2.752 0 50 EFAA COc1ccc([C@H](NC(=O)c2cncs2)[C@H]2C[C@@H](O)C2)cc1F 244893998 YXXXGOGLUXHSES-RWSFTLGLSA-N 336.388 2.533 0 50 EFAA CCn1c(CN(C)CCSc2ccccc2)nnc1[C@H]1C[C@@H](N)C1 244748541 OJLJDCDWHGNOIP-GASCZTMLSA-N 345.516 2.727 0 50 EFAA c1ccc(-c2noc(CN3CCN(C4CCSCC4)CC3)n2)cc1 243901836 BENDCCGXTPMNHQ-UHFFFAOYSA-N 344.484 2.750 0 50 EFAA CC(C)n1ccnc1CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 534658821 TYERODNZIIZMSN-UHFFFAOYSA-N 344.394 2.821 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1[nH]c3c(F)cccc3c1C)CC2 299797305 NFATWHWGZXQABY-VRHCTWJESA-N 346.402 2.760 0 50 EFAA CC1CCN(Cc2ccc(C(=O)NCc3cccc(CO)c3)o2)CC1 828827615 QHIZNRNBJDHMAQ-UHFFFAOYSA-N 342.439 2.934 0 50 EFAA O=C(N[C@H](c1ccccc1)c1ccco1)c1cccc(-n2cnnc2)n1 670455653 GKWYTADNGUFNIM-GOSISDBHSA-N 345.362 2.775 0 50 EFAA CC(C)c1nc([C@H]2CN(C(=O)Cc3ccncc3)C[C@@H]2C2CC2)n[nH]1 952849616 YHEXQYSWYFSNLO-CVEARBPZSA-N 339.443 2.518 0 50 EFAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@@]34CCCOC4)cc2)o1 1875271756 RPFRTKKMCZUHEH-SFHVURJKSA-N 327.384 2.830 0 50 EFAA Cn1nc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F 1875360005 WDPSTFBRMOASGP-UHFFFAOYSA-N 345.755 2.955 0 50 EFAA Cc1cnn([C@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)c1 952984376 ZZEDUXPRZUSQKN-CQSZACIVSA-N 328.416 2.777 0 50 EFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCC1=Cc2ccccc2OC1 886055040 JQJWOBZDGMWSQI-PKOBYXMFSA-N 325.412 2.624 0 50 EFAA Fc1cnc(N2CCC[C@H](c3ncc(Br)cn3)C2)nc1 1413905768 AGACLMQQNBAGIC-VIFPVBQESA-N 338.184 2.552 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@H](NCc2nc(C)[nH]c2Br)C1 1775985321 PVMYCUJAJBBGKM-ADWYPQAOSA-N 348.310 2.650 0 50 EFAA O=C(O)C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(F)cc1 1775998854 LFVJTQUQNWLYMG-LBPRGKRZSA-N 330.306 2.782 0 50 EFAA O=C(NC1CC1)c1ccsc1NC(=O)N1CCOC[C@H]1C1CCC1 1776006610 RUVPFUSXLJYDMT-AWEZNQCLSA-N 349.456 2.673 0 50 EFAA N#Cc1c(N)nc2c(c1-c1cnc(-c3ccco3)nc1)[C@@H]1CC[C@H](C2)N1 75927172 XTDUUHAKOUGCOY-YPMHNXCESA-N 344.378 2.602 0 50 EFAA CO[C@@H](C)C1=NN(c2ccc(-c3ccc(Cl)s3)nn2)C(=O)C1 899353028 SYDJOLNMMGQMKR-QMMMGPOBSA-N 336.804 2.986 0 50 EFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)cc1 269192208 RCVDHAWRGKOMFW-FZMZJTMJSA-N 330.350 2.970 0 50 EFAA Cc1cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc1CN(C)C 408519992 GXRKFLXFQBYVQV-UHFFFAOYSA-N 335.448 2.910 0 50 EFAA CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CCCN(Cc2ccccc2)C1 273382906 FDFIDGJZDFWZPJ-INIZCTEOSA-N 349.438 2.695 0 50 EFAA Oc1nccnc1N1CCC[C@@H](Nc2nc3cc(F)ccc3o2)C1 275402533 CMOZKSHOJUOHRR-LLVKDONJSA-N 329.335 2.543 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@H](Cc3ccccc3)C2)cc1 276328007 PZYGMMGAGHWLIK-GOSISDBHSA-N 345.464 2.928 0 50 EFAA CC(=O)c1c(F)cccc1N1CCCN(c2ccc(C)nn2)CC1 277089850 VPBWGLZLCYGGOO-UHFFFAOYSA-N 328.391 2.843 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(n2ccnc2)CC1 667563676 MMQCOVQGVUQONT-QFBILLFUSA-N 343.475 2.904 0 50 EFAA c1ccc(-c2nc(C3CCN(Cc4cnn5c4CCC5)CC3)n[nH]2)cc1 667568077 RSDDLTIBTTZTDN-UHFFFAOYSA-N 348.454 2.994 0 50 EFAA Cc1c(Br)ccc(NCc2nnnn2C2CC2)c1F 278564090 ALOPTKRXSCOOHF-UHFFFAOYSA-N 326.173 2.830 0 50 EFAA CCS(=O)(=O)c1ccccc1NCCc1cn2c(n1)CCCC2 170604419 OXEKNCBLNVNGQK-UHFFFAOYSA-N 333.457 2.668 0 50 EFAA Cc1csc(N2CCCN(CC[S@@](=O)c3ccccc3)CC2)n1 170621629 NSMPIJXBQKXDKP-HSZRJFAPSA-N 349.525 2.771 0 50 EFAA CC(C)c1noc(NCc2ccccc2CN2CCC[C@H]2CO)n1 170614938 JLGNOXIJZSLKPP-INIZCTEOSA-N 330.432 2.762 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)Cc3cncs3)CC2)c1 280204164 JZOOCRICLGUJFN-UHFFFAOYSA-N 330.453 2.590 0 50 EFAA Cc1cc(NC(=O)N(C)CC2(O)CCCCCC2)ccc1C(N)=O 188887529 JLMLESXCQQVOIE-UHFFFAOYSA-N 333.432 2.643 0 50 EFAA CC[C@H](C(=O)O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 191419644 NDALBJHQZIDIIR-CQSZACIVSA-N 342.798 2.993 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(C)o1 193431392 MZJQQLFOIVXTAI-OKILXGFUSA-N 334.416 2.835 0 50 EFAA COC[C@H]1[C@@H](NC2CCN(c3ccc(F)cc3C)CC2)[C@H]2CCO[C@H]21 1074562234 MDJWSHPKXDEWEE-LCLWPZTBSA-N 348.462 2.742 0 50 EFAA CCS(=O)(=O)CC(=O)N1CCC(Sc2cccc(C)c2)CC1 1505722634 ZJOPLIFQVUOVAQ-UHFFFAOYSA-N 341.498 2.513 0 50 EFAA CCCCn1nc(C)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 1506406687 NTOBSKWNAFFLGN-UHFFFAOYSA-N 335.429 2.647 0 50 EFAA CC1=C(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)OCCO1 1506421623 KCPSGIBUBRNAKX-HNNXBMFYSA-N 327.384 2.515 0 50 EFAA CCn1c(N(C)CCc2scnc2C)nc2cc(C(=O)O)cnc21 1529167861 PREUKFSNASGPDN-UHFFFAOYSA-N 345.428 2.593 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)n1C(F)F 1704280599 PPVODZPLFBGQAT-ZIAGYGMSSA-N 335.354 2.574 0 50 EFAA CN(C(=O)c1cncnc1C1CC1)c1ncc(Br)s1 1875276234 MPEHDDJWYNFQBP-UHFFFAOYSA-N 339.218 2.850 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5329440 UWLAPRZNLFLENU-UHFFFAOYSA-N 346.408 2.623 0 50 EFAA COc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1OC 5676196 ZXOSXPSHDLWVMJ-UHFFFAOYSA-N 332.444 2.538 0 50 EFAA CC(=O)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 11167321 WHUSKHRQUZWDOA-UHFFFAOYSA-N 336.351 2.906 0 50 EFAA O=C(CC[C@H]1CCCN(Cc2ccc3nsnc3c2)C1)NC1CC1 11873785 LYGHEJCPEGYHAR-CYBMUJFWSA-N 344.484 2.962 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1 19773982 OISAWXYVRVJIGI-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA Cc1cnnc(N2CCC(c3nnc4n3CCCCC4)CC2)c1C 1857709862 VMCMHTJSEOWBPJ-UHFFFAOYSA-N 326.448 2.795 0 50 EFAA Nc1ccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 210061493 CAIOXGCHDIOQRH-MOPGFXCFSA-N 347.418 2.808 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@H]2CO)C1 306142805 XKJXXKAAKCOIQB-FXAWDEMLSA-N 346.471 2.738 0 50 EFAA Cc1cc(F)c(S(=O)(=O)N[C@H](C)Cc2c(C)noc2C)cc1F 122293401 ZRLFDFHDQMEEFI-SECBINFHSA-N 344.383 2.788 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 238206006 KOBYBURVXIBSOR-MRXNPFEDSA-N 347.317 2.877 0 50 EFAA O=C(c1ccncc1Cl)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348254785 GAMXSNOGYIBSQG-ZUZCIYMTSA-N 338.741 2.961 0 50 EFAA COc1cccc(C[C@H](O)C(=O)N2Cc3cccc(Cl)c3C2)c1 489128989 YOZYULPDABAFJI-KRWDZBQOSA-N 331.799 2.794 0 50 EFAA CN(C)Cc1c(C(=O)Nc2cc3n(n2)CCCC3)oc2ccccc12 376261603 DQDGAXWWAHCWIT-UHFFFAOYSA-N 338.411 3.280 0 50 EFAA CN(Cc1nccn1C(F)F)C(=O)c1cc(Cl)cc(F)c1N 390833618 KJLNCGHDRCCZLF-UHFFFAOYSA-N 332.713 2.925 0 50 EFAA C[C@H](NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(CO)on1 925097957 SFQLJAWTLKHVDO-RMLUDKJBSA-N 331.199 2.858 0 50 EFAA COc1cc(-c2noc(Cc3cc(C)no3)n2)cc(OC)c1OC 928995024 IODYMHLONGBQMA-UHFFFAOYSA-N 331.328 2.650 0 50 EFAA C[C@@H](O)CN(C)C1CCN(C(=O)Nc2ccc(C3CCC3)cn2)CC1 931575956 ZWPONGREWJANPA-CQSZACIVSA-N 346.475 2.658 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)c(N(C)C)nn1 931892302 BRTHNDXUQVIQFQ-OAHLLOKOSA-N 347.463 2.522 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)NCC[C@H]2CCOC2)n1 935358699 MBOHEOGBDLVHSC-JTQLQIEISA-N 342.237 2.519 0 50 EFAA O=C(Cc1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCO2 12919308 NAXQPZPEAIMZHN-UHFFFAOYSA-N 330.211 2.901 0 50 EFAA Cc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c(Br)c1 659230341 IJMSHKZLOKDCPR-AOOOYVTPSA-N 326.190 2.693 0 50 EFAA COc1ccccc1CCNC(=O)c1nc(-c2cccs2)no1 1426605 HYTDFXCEQBRDMT-UHFFFAOYSA-N 329.381 2.779 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N[C@H]2[C@H](CN)CCC23CCC3)cn1 2325778667 IZIAQUWVFSAJHZ-YJBOKZPZSA-N 338.455 2.818 0 50 EFAA CN(C)[C@H]1C[C@H](C(=O)N2CCc3cc(CCC(C)(C)O)ccc3C2)C1 2325783311 MXBFRNXXXXADDR-WGSAOQKQSA-N 344.499 2.615 0 50 EFAA CC1(C)OC(=O)c2c1ccnc2N1CC[C@](N)(c2cccc(F)c2)C1 2325796520 WEWGMZVZIPSNMV-LJQANCHMSA-N 341.386 2.691 0 50 EFAA Cn1cncc1CN1CC(=O)Nc2ccccc2[C@@H]1c1ccccc1 2325870395 WAFKMMHKUHKSRW-FQEVSTJZSA-N 332.407 2.964 0 50 EFAA Cc1c(NC(=S)NCc2ccco2)c(=O)n(-c2ccccc2)n1C 440118 QZJLHIJVZXSRHR-UHFFFAOYSA-N 342.424 2.564 0 50 EFAA Cc1nn(CCCNC(=O)c2ccccc2F)cc1Br 2872770 KTFUOEDMGUHXQR-UHFFFAOYSA-N 340.196 2.913 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3c(C)nc4sccn34)C[C@H]21 2356148380 SXLXZVOWWUACBC-AHIWAGSCSA-N 333.457 2.717 0 50 EFAA CC(=O)Nc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 4349887 IQQBTBDDKFRBEH-UHFFFAOYSA-N 326.352 2.865 0 50 EFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccnc1 4998884 OTGJXFWTYNCXKN-LLVKDONJSA-N 335.201 2.928 0 50 EFAA O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6271291 XLAZXVBAOAIURP-UHFFFAOYSA-N 336.457 2.990 0 50 EFAA Cc1ocnc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225404638 UMOMKBKZXYMRKL-GWCFXTLKSA-N 340.301 2.950 0 50 EFAA CCc1csc(CNC(=O)c2ccc(N[C@@H]3CCSC3)nc2)n1 20207814 WPVYYHYDVDPBJR-CYBMUJFWSA-N 348.497 2.948 0 50 EFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1 9422141 JPYCTMZXAXFNIT-UHFFFAOYSA-N 347.802 2.854 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)n1 104306266 IXXQVFQFQLABIV-HXUWFJFHSA-N 343.446 2.598 0 50 EFAA C[C@@H](Cn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55089376 SAQLNSSHAJQJAS-ZDUSSCGKSA-N 339.351 2.797 0 50 EFAA O=C(O)CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 116341236 XUUKTUIGHFOMBZ-UHFFFAOYSA-N 330.350 2.688 0 50 EFAA Cc1ccc(C)c(OCC(=O)NCC2(Cn3ccnc3)CC2)c1C 55386167 XKUSKHKFHJTVMT-UHFFFAOYSA-N 327.428 2.784 0 50 EFAA Cc1nc(N(CCC(N)=O)Cc2ccccc2)c2ccsc2n1 55197137 OQVDVUOESWRQGZ-UHFFFAOYSA-N 326.425 2.882 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2C(C(C)(C)C)=C[C@]12C(C)(C)C 104293668 OBANCIHWQWFCQW-MNUAXYBXSA-N 329.444 2.649 0 50 EFAA O=C(c1cc(COc2ccc(F)cc2F)[nH]n1)N1C[C@H]2CC[C@H]1C2 101754994 SPMYKGLWGBJIRN-GWCFXTLKSA-N 333.338 2.891 0 50 EFAA Cc1ccc(CN2CCN(CC(=O)NC3CCCCC3)CC2)cc1 20367237 GTUOEBMAZNLWGH-UHFFFAOYSA-N 329.488 2.562 0 50 EFAA Nc1nnc(CCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)s1 65499457 NCNQOTMTUPRBLA-CYBMUJFWSA-N 341.440 2.730 0 50 EFAA O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@]2(CCNC2)C1 67817182 OQHGOKJTONEYTR-AWEZNQCLSA-N 349.283 2.758 0 50 EFAA CNC(=O)Cn1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)n1 20536252 UBVWBSCRAYOFPM-UHFFFAOYSA-N 343.390 2.906 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(C)nc2O)C(C)C)cc1 348113372 RSULNTUDTIJTCX-MRXNPFEDSA-N 341.411 2.797 0 50 EFAA CC(C)c1noc(CN(C)C2CCN(C(=O)c3cccs3)CC2)n1 67770672 YHBCNUADQMLFFW-UHFFFAOYSA-N 348.472 2.991 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2nncn2-c2ccccc2)C1 281565098 CZDZDUZVONPWHJ-ROUUACIJSA-N 338.386 2.714 0 50 EFAA Cn1cc(CCC(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)cn1 11880058 QMRJGZZWWNHCKV-HXUWFJFHSA-N 346.519 2.713 0 50 EFAA Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c1 252463413 MQOMPAXPHXOTGG-WBAXXEDZSA-N 347.422 2.893 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c1 2790159 NSIFFHBIOYPHPQ-UHFFFAOYSA-N 342.424 2.744 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2OC)c1 282314994 CGYHCOMTDLTQSB-AEFFLSMTSA-N 341.407 2.581 0 50 EFAA O=C(c1c[nH]c(=O)cc1O)N1CCCC[C@H]1CCc1cccs1 77301166 NVOZRLMATVKILL-LBPRGKRZSA-N 332.425 2.770 0 50 EFAA C[C@@H]1Oc2c(C(=O)N3CCC[C@@H](n4cncn4)C3)cccc2[C@H]1C 257365769 LXUNZVLWTUANIV-MELADBBJSA-N 326.400 2.640 0 50 EFAA C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H](C)N1 154255855 GBRIARMOJVCQJQ-NXEZZACHSA-N 331.279 2.652 0 50 EFAA COCc1ccc(NC(=O)N2CCC(CC(=O)N(C)C)CC2)cc1 239782427 COKYGFWENIKBSB-UHFFFAOYSA-N 333.432 2.555 0 50 EFAA CO[C@H]1CCCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 363700436 WKCIYGDRMXFHAJ-FQEVSTJZSA-N 344.499 2.969 0 50 EFAA CCC[C@H](C)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 240321522 FAAKRXVZVHGMLU-HOCLYGCPSA-N 332.444 2.900 0 50 EFAA CCOC[C@@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 176004246 GGHVBDQOCDQMDJ-OAHLLOKOSA-N 346.406 2.579 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCc2cccc(O)c21 155644428 CVYIXLMWOKYCRL-LBPRGKRZSA-N 327.428 2.901 0 50 EFAA Cc1cccc2sc(NC(=O)c3cnc4c(c3)NC(=O)CO4)nc12 367417935 CGGHIIGEERRHPU-UHFFFAOYSA-N 340.364 2.583 0 50 EFAA COc1ccc2sc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c(C)c2c1 173494521 BJQOWGUULLUZDA-OAHLLOKOSA-N 346.452 2.815 0 50 EFAA COc1ccc(-c2nc(CN3CC[C@@H](NC(C)=O)C3)c(C)o2)c(F)c1 71754111 SFBONQKYXNQXBE-CYBMUJFWSA-N 347.390 2.508 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC(OCc3ccccc3)CC2)n1 77337802 WEKWRSAGLJNMEN-UHFFFAOYSA-N 333.819 2.895 0 50 EFAA CN(C)c1ncc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cn1 337531115 SGNFZPGHFJMKDF-UHFFFAOYSA-N 340.305 2.736 0 50 EFAA CN(C(=O)N1CCC(c2c[nH]c3ncccc23)CC1)C1CCOCC1 369223755 HFXSEJBGMWAWJD-UHFFFAOYSA-N 342.443 2.973 0 50 EFAA COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1C 72115662 LZDSXPGLGKMBNO-LBPRGKRZSA-N 328.368 2.509 0 50 EFAA O=C(O)c1coc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 262345885 DRDONKKIEGDAPB-CYBMUJFWSA-N 343.335 2.726 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2csc(CN)n2)[C@@H](C)CO1 237702343 SBIMZFHZAOCLIM-SWLSCSKDSA-N 331.441 2.512 0 50 EFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ccncc2)CC1 72407748 BHKPCWFJDNMRKG-UHFFFAOYSA-N 338.367 2.618 0 50 EFAA COc1ccnc(N2CCN(Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)n1 129595228 WRUBLDWGELPJNY-UKRRQHHQSA-N 328.416 2.524 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)NCCc1ccc(C(=O)O)cc1 238083030 YJZHCSZWGVCEFU-INIZCTEOSA-N 339.391 3.000 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 238073044 GQPJQLMSYUXZBO-LOWVWBTDSA-N 327.302 2.885 0 50 EFAA O=C(O)c1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77455691 QACRQSZOLMOMEW-HXUWFJFHSA-N 342.439 2.752 0 50 EFAA CCCCSCc1cc(C(=O)N2C[C@H](O)[C@@H](OCC)C2)oc1C 222624164 ORXHQYFJHPZNTP-HOCLYGCPSA-N 341.473 2.843 0 50 EFAA CN(CC(=O)N1CC(Oc2ccccc2F)C1)Cc1ccc(F)cc1 221267067 ZZSRCHASODNFOW-UHFFFAOYSA-N 346.377 2.686 0 50 EFAA Cn1ncc(Cl)c1CNC1CCN(Cc2ccc(F)cc2)CC1 130564692 GLRIBLQJCWOWCC-UHFFFAOYSA-N 336.842 2.967 0 50 EFAA O=C1CC[C@H](C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c2ccccc21 263375951 AVYUNUSSFPANKO-ZFVVBOAOSA-N 341.407 2.991 0 50 EFAA CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220758 GIGUIJVYXSNDDO-AEFFLSMTSA-N 326.444 2.855 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)Cc2cccc(OCCN)c2)c1 426597222 LVXZJGUHAPAZAB-IBGZPJMESA-N 340.423 2.549 0 50 EFAA COC[C@@H]1[C@@H](NC(=O)CSCc2cc(C)cc(C)c2)[C@@H]2CCO[C@@H]21 223342900 XWZRMLHMYUKJDJ-NBMJBFSESA-N 349.496 2.703 0 50 EFAA CNCc1nnc(SCc2ccc(F)c(C(F)(F)F)c2)n1C 426528085 TUAOMXFDVCTSFF-UHFFFAOYSA-N 334.342 2.985 0 50 EFAA CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2nc(=NC)c(F)c[nH]2)cc1 426370777 QNKWGMYKFKRORL-OAHLLOKOSA-N 340.402 2.927 0 50 EFAA CCN(Cc1noc(C)n1)C(=O)C1CCN(C2CCCCC2)CC1 95375868 QXELTSAOHHKPNP-UHFFFAOYSA-N 334.464 2.771 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cc(-c3ccccc3O)n[nH]2)n1 91650015 BKOWPYIDCMLEMY-ZDUSSCGKSA-N 339.399 2.587 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(C)cs2)C1=O 295183082 TVWDOXMOBXANCT-GFCCVEGCSA-N 330.409 2.600 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1C[C@H]1C(=O)N1CCc2ccccc21 244094504 UFQTUVHUSIYQNZ-DLBZAZTESA-N 338.382 2.667 0 50 EFAA O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)Nc1nccs1 298100531 MPOWABSMAVHSHZ-INIZCTEOSA-N 331.441 2.527 0 50 EFAA C[C@H]1CN(C(=O)NCCc2csc(C(C)(C)C)n2)[C@@H](C)CO1 183416676 UJTZIDPANOGVAZ-RYUDHWBXSA-N 325.478 2.802 0 50 EFAA CC(C)Oc1cccc(CNC(=O)N2CCN(CC3CC3)CC2)c1 534673840 OIVDPRQSUANMAV-UHFFFAOYSA-N 331.460 2.711 0 50 EFAA O=C1C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)c2ccccc2N1 367487180 XGUNQIYWKCLADV-SFHVURJKSA-N 349.434 2.989 0 50 EFAA CCn1nc(CNC(=O)[C@H]2CC(=O)OC23CCCC3)c2ccccc21 299791840 DGZACPYAJUHCRO-CQSZACIVSA-N 341.411 2.548 0 50 EFAA CC(=O)c1cc(CC(=O)N2CCC(Oc3ccncc3)CC2)cs1 299762883 DBUSDKKHHXAWSS-UHFFFAOYSA-N 344.436 2.958 0 50 EFAA CN1CC[C@H](n2cnc3cc(-c4ccccc4)sc3c2=O)C1=O 584898693 PTVXXWNGOMHUGL-ZDUSSCGKSA-N 325.393 2.528 0 50 EFAA CN(CCc1cccc2ccccc12)C(=O)NCCCc1nc[nH]n1 864094358 SHFBCKGHDUNYPT-UHFFFAOYSA-N 337.427 2.775 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cc(F)cc(F)c4C3)n[nH]c21 1875296001 FPCVOKRRAMCEQZ-ZJUUUORDSA-N 347.365 2.909 0 50 EFAA O[C@@H]1CC[C@H]2[C@H](CCCN2Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 1875329931 LLLYCDPDFDCZDJ-XFJVYGCCSA-N 347.850 2.646 0 50 EFAA Cc1cccn2c(CC(=O)NCc3nnc(C4CCC4)s3)cnc12 1875318325 FRGKVEFHHFYRSK-UHFFFAOYSA-N 341.440 2.621 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc1 1875373545 FKGCEFSYCLFMGV-FQEVSTJZSA-N 344.455 2.897 0 50 EFAA COc1c(F)cccc1[C@H]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)C1 1875320972 PDRQRSJBWJTGBN-STQMWFEESA-N 343.402 2.678 0 50 EFAA Cc1ccc(-n2cnnc2)c(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2)c1 1875312205 XEQKTTLGDKRLTQ-YJEJQGFLSA-N 334.423 2.860 0 50 EFAA O=C(c1cc(-n2cccc2)ccc1Br)N1CCOCC1 951726963 RTXBPTODIRVBNC-UHFFFAOYSA-N 335.201 2.712 0 50 EFAA Cc1cc(C(=O)N(CCN(C)C)Cc2sccc2C)nc(C)n1 952873055 FLZAPVVLXOQRFL-UHFFFAOYSA-N 332.473 2.667 0 50 EFAA CCO[C@]1(c2nnc(-c3ccncc3C(F)(F)F)o2)CCOC1 886082214 LVXIWJKBMSPOBW-CYBMUJFWSA-N 329.278 2.803 0 50 EFAA O=C(C[C@@H]1CCOC1)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 891014570 WCBFVFKLGBGLPE-AWEZNQCLSA-N 346.814 2.915 0 50 EFAA COc1c[nH]nc1NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1771958324 LTMUBBVBEMBDLV-SFHVURJKSA-N 345.399 2.772 0 50 EFAA CO[C@H](CNC(=O)CC1(CC(=O)O)CC1)c1cccc(Cl)c1 1775999074 PKRIZMVLXRLVIU-CYBMUJFWSA-N 325.792 2.789 0 50 EFAA COCc1cccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)c1 1775957486 XFNUXZATMCZXCT-AZUAARDMSA-N 342.439 2.896 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccccc1Cl 1565529679 YTTGJZBYLIQJGF-ORQFMDKSSA-N 334.847 2.712 0 50 EFAA Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)n1 167304717 PMUTWHORGQEFBL-KRWDZBQOSA-N 336.395 2.547 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)CCc2ccc(Cl)s2)o1 275540435 ZMXAMFRJHYPACP-LLVKDONJSA-N 341.820 2.626 0 50 EFAA CC(C)N(C)C(=O)N(C)[C@@H](CO)c1cccc(Br)c1 170088619 RCUCCWLKKCNIKO-ZDUSSCGKSA-N 329.238 2.875 0 50 EFAA C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](C)C[S@](C)=O 170594158 NACSOPZRDGCIFD-CSTKLKAISA-N 332.469 2.837 0 50 EFAA CC(C)Oc1c(Cl)cccc1NC(=O)NN1CCCNC1=O 170609735 KOEKCWZTYHMAPA-UHFFFAOYSA-N 326.784 2.579 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)NCc3ccc(Cl)cc3F)C2)cn1 187650076 APJQEKKAVQLRNP-LBPRGKRZSA-N 336.798 2.912 0 50 EFAA CSC1(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 190169441 TZLFNWZYMBSWSF-GJZGRUSLSA-N 348.512 2.808 0 50 EFAA CC(C)n1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cn1 190324769 FTNLNVQSOOMPTD-UHFFFAOYSA-N 346.456 2.560 0 50 EFAA O=C(Nc1ccccc1NCC(F)(F)F)c1cc2ncccn2n1 646738299 XPIXQQFKIMODLQ-UHFFFAOYSA-N 335.289 2.956 0 50 EFAA Cn1cc(N2CCC[C@@H](NCc3cnc(-c4ccco4)s3)C2)cn1 193126511 KMBZAJRKBQOREP-CYBMUJFWSA-N 343.456 2.895 0 50 EFAA O=C(CCCc1cccs1)N1CCCN(C(=O)c2cc[nH]c2)CC1 1414645074 QILSELIQVIPBBU-UHFFFAOYSA-N 345.468 2.774 0 50 EFAA O=C(c1nnc2n1CCCCC2)N1CCOc2ccc(Cl)cc2C1 1506405435 BNSCQKQVDUJZBE-UHFFFAOYSA-N 346.818 2.693 0 50 EFAA Cc1ncc(CN(CCO)C(=O)CC23CC4CC(CC(C4)C2)C3)[nH]1 1704312807 BGKGWPOFQXOYIV-UHFFFAOYSA-N 331.460 2.646 0 50 EFAA CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NCCCn2ccnc2)C1(C)C 1775993649 UISRDPMULJYBIE-GJZGRUSLSA-N 336.480 2.802 0 50 EFAA CCCNc1ncc(-c2nccn2[C@H]2CC23CCN(C)CC3)cn1 1772815501 STIBMMORVVUEOC-HNNXBMFYSA-N 326.448 2.819 0 50 EFAA C[C]1NC(c2ccccc2)=C(C(=O)N2CCc3nc[nH]c3C2)S1 1775965351 CKZTWUUKOQLDOI-UHFFFAOYSA-N 325.417 2.509 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC(c3ccnc(O)c3)CC2)cc1C 1772809262 QXCNOTSHCKLVDI-UHFFFAOYSA-N 346.452 2.972 0 50 EFAA O=C(NCc1[nH]nc2ncccc12)C1(c2ccc(Cl)cc2)CC1 1775978386 SHNKKGNQWMVOER-UHFFFAOYSA-N 326.787 2.959 0 50 EFAA CCCc1nnc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)s1 12865182 LLQVPRNVJXDYIK-UHFFFAOYSA-N 338.477 2.714 0 50 EFAA COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCCO 12898811 NMMSXZGTIOXZKM-UHFFFAOYSA-N 340.423 2.880 0 50 EFAA biogenic CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(N)=O)cc1 14398368 DPYUZIBRUWFDDD-MRXNPFEDSA-N 328.368 2.590 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857686502 ZFIPXUFJBPWFCA-LJQANCHMSA-N 338.411 2.508 0 50 EFAA CC[C@@H](C(=O)N1CC2(CN(C)C2)C1)n1cc(C(C)=O)c2ccccc21 1857710766 OKAXNMXLYVDAQZ-KRWDZBQOSA-N 339.439 2.569 0 50 EFAA CCc1nc(Cc2nc(-c3ccc(NC(N)=O)cc3)no2)cs1 225589419 WQWCYLWWCWJRRY-UHFFFAOYSA-N 329.385 2.837 0 50 EFAA COC[C@H](NC(=O)NCC1(C)CCNCC1)c1ccc(Cl)cc1 418105465 WCMBGRLUPNUNNJ-HNNXBMFYSA-N 339.867 2.716 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 225385612 AUZZHBFEMCACMV-GVXVVHGQSA-N 332.366 2.625 0 50 EFAA CCCn1nccc1NC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 225542965 KQKBUJFZMNRQDX-ZDUSSCGKSA-N 340.786 2.941 0 50 EFAA O=C(NCc1cc(Br)ccn1)c1noc2c1CCCC2 452139488 NQPNTZFKPSDFHU-UHFFFAOYSA-N 336.189 2.641 0 50 EFAA Cc1ccc2c(CN3[C@H](C(N)=O)C[C@@H]4CCCC[C@H]43)cc(=O)oc2c1 252497890 GZMWHDBMUXDEFA-XKQJLSEDSA-N 340.423 2.720 0 50 EFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H]1c1ccc(F)cc1 355552423 BAHDLIMZVZGTQH-IKGGRYGDSA-N 340.402 2.504 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)[C@H]1CCN(c2ccccc2F)C1 685792413 UCQLGHCTNYDWQO-ZDUSSCGKSA-N 341.386 2.758 0 50 EFAA Cc1ccccc1[C@H](O)C1CCN(C(=O)Cc2cnn(C)c2C)CC1 816648758 OOVIKRRVYVXRKL-HXUWFJFHSA-N 341.455 2.552 0 50 EFAA CN1C(=O)CC[C@H](NCc2ccc(Cl)s2)[C@H]1c1ccnn1C 922405659 XKDUYZLPNKVREP-NHYWBVRUSA-N 338.864 2.587 0 50 EFAA Cc1csc(C[C@H]2CCCN(Cc3n[nH]c4c3COCC4)C2)n1 931748543 BEEJVEVJFVOATJ-CYBMUJFWSA-N 332.473 2.702 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 202682 GOPDTJMAMUZZSL-KBXCAEBGSA-N 333.384 2.525 0 50 EFAA biogenic CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)C[C@H](N)C(=O)O)cc1 2325774735 OHAVAUUOKNSWLA-OXJNMPFZSA-N 346.471 2.710 0 50 EFAA NC(=O)c1cc(F)cc(C(=O)NCC[C@@H]2CCc3ccccc32)c1 2325784689 CKBFJEDGXVXSJN-ZDUSSCGKSA-N 326.371 2.775 0 50 EFAA CN[C@@H](Cc1ccc(F)cc1)c1cn(-c2ccc(Cl)nc2)nn1 2325857175 RUROFHJCOUVPDF-AWEZNQCLSA-N 331.782 2.958 0 50 EFAA Cc1csc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 937910995 DEXKPMAWMWDQBW-LBPRGKRZSA-N 346.456 2.548 0 50 EFAA O=C1OCC[C@H]1Sc1nnc(-c2cccc(Br)c2)o1 1111202 IHEGCGKUCFDNKE-SECBINFHSA-N 341.186 2.907 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CSc2cc(C)ncn2)cc1 1286589 GGFKZBHXBVSOPE-UHFFFAOYSA-N 331.397 2.693 0 50 EFAA CC[C@@H]1CN(C)CC[C@H]1N=c1[nH]oc(-c2ccccc2)c1C(=O)O 2356153975 COSNTYUOSKZZCN-TZMCWYRMSA-N 329.400 2.604 0 50 EFAA O=C(Cc1ccc(F)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 4076801 ZIEFYJLVQCXKGW-QGZVFWFLSA-N 345.395 2.712 0 50 EFAA Cc1ccc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)cc1 4414401 YNWPSZWNTOUDGW-UHFFFAOYSA-N 338.411 2.504 0 50 EFAA CN1CCC(OC(=O)c2ccccc2I)CC1 4664845 PELWOVKMTQUDPE-UHFFFAOYSA-N 345.180 2.542 0 50 EFAA CCCNCc1cc(OCC)c(OCCO)cc1Br 4839226 CUQSSYSHWWDGPU-UHFFFAOYSA-N 332.238 2.719 0 50 EFAA Cc1ccsc1CN(C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 4867409 XTBXUSZGWFDTDC-HNNXBMFYSA-N 349.477 2.886 0 50 EFAA O=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1CCc1ccc(O)cc1 55404135 GGMFHVYGJRWFET-HNNXBMFYSA-N 326.396 2.708 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 134449333 WCFSAUXAYMEWLM-MRXNPFEDSA-N 340.427 2.823 0 50 EFAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)c(Cl)c1 54253891 UGXUFZOFGQMGKW-LBPRGKRZSA-N 331.199 2.569 0 50 EFAA CN(N[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 100375645 AHCVSHLNLRGACR-OAHLLOKOSA-N 329.787 2.613 0 50 EFAA COc1ccccc1/C=C/CN1CCC(n2cc([C@H](C)O)nn2)CC1 55060695 ANIHGMGMVUSZNU-ZKKXHLJNSA-N 342.443 2.690 0 50 EFAA CC[C@@H](Nc1nc2nonc2nc1NCCOC)c1ccc(F)cc1 23369342 QQUXMVDKCXWSMB-GFCCVEGCSA-N 346.366 2.773 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccncc1 248749296 FRYSAORXMAAGKE-VQIMIIECSA-N 338.455 2.744 0 50 EFAA O=C(c1ccco1)N1CCC[C@@H](NC2CCC3(CCNCC3)CC2)C1 67955714 GAGINVIOQHZHHR-QGZVFWFLSA-N 345.487 2.786 0 50 EFAA C[C@H]1CCCCN1CCNC(=O)c1cccc(CCC(C)(C)O)c1 72478552 QCVMSQQRVVKMEJ-INIZCTEOSA-N 332.488 2.994 0 50 EFAA CCOc1ccc(OCC)c(Nc2nc(-c3cnnn3C)cs2)c1 348972866 FTDUJBLHZQSUDC-UHFFFAOYSA-N 345.428 3.480 0 50 EFAA Cc1cc(CN2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1 67908897 GFMAECOMYWZUGQ-LBPRGKRZSA-N 335.354 2.513 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 20405077 WUUIZKCMLSKLJM-UHFFFAOYSA-N 339.395 2.765 0 50 EFAA O=C(c1ccnc(C2CC2)n1)N1CCN=C(O)[C@H]1c1cccs1 329687127 BRVBYRKLNJQUSJ-CYBMUJFWSA-N 328.397 2.569 0 50 EFAA Cc1cccc(OC2CCN(Cc3c(CO)cnc(C)c3O)CC2)c1 67588288 CCOFDTVUOXVLJM-UHFFFAOYSA-N 342.439 2.940 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cnn(C2CCCC2)c1C 252511406 GKZFGXGDPANQGA-WRFANHODSA-N 345.443 2.624 0 50 EFAA CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2nccn(C)c2=O)o1 121202863 JBDGMDGNWLNCBN-TZMCWYRMSA-N 344.415 2.941 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1 77536620 MGHPGEIDXVQTPO-ZDUSSCGKSA-N 331.441 2.917 0 50 EFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NC2CCCC2)C1 77319160 LMRLTZOBMFQRFK-UHFFFAOYSA-N 337.427 2.798 0 50 EFAA CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)cc1 71376067 WNQJFSVZUXXUSE-NSHDSACASA-N 340.379 2.791 0 50 EFAA COCc1nc(NCCc2csc(C(C)C)n2)c2cnn(C)c2n1 72168897 GSLIBSCQUZXQPK-UHFFFAOYSA-N 346.460 2.744 0 50 EFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@@H]2CCCC[C@@H]21 123490445 VIWLMBIQDSOBCZ-UONOGXRCSA-N 345.424 2.809 0 50 EFAA Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)nc(C2CC2)n1 366503449 FAXUOYRDGWZLJK-GJZGRUSLSA-N 342.422 2.506 0 50 EFAA 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CC[C@@H]1CN(C2CCN(CC)CC2)CCC(=O)N1Cc1ccccc1 71753280 CDZIMGXZQCUSEP-LJQANCHMSA-N 343.515 2.984 0 50 EFAA Cn1c(=O)c(C(=O)NC[C@H]2CCc3ccccc3O2)cc2ccccc21 216042514 ZAHQLRQDYYTKPH-MRXNPFEDSA-N 348.402 2.662 0 50 EFAA Cc1cccc2c1O[C@H](C(=O)NCCn1c(C)nc3ccccc31)C2 449142920 VDXMSZQAPQVAJY-SFHVURJKSA-N 335.407 2.773 0 50 EFAA CSc1nc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)cs1 219733900 WUFGOGKFBGCQRQ-UHFFFAOYSA-N 347.425 2.582 0 50 EFAA C[C@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cccc1 130698770 DNKFMZVNOYADJE-MRXNPFEDSA-N 329.419 2.923 0 50 EFAA CN(C)c1cc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)ncn1 71765060 DEXBKITYLSMIIE-MRXNPFEDSA-N 326.444 2.990 0 50 EFAA CCCCN1CCCC[C@@H]1C(=O)NCc1nnc(C2CC2)n1C1CC1 242048090 VSRGYIOYTMRQTO-MRXNPFEDSA-N 345.491 2.761 0 50 EFAA O=C(O)c1cnn(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 263121737 GTFMYNZTNQCAAI-UHFFFAOYSA-N 338.367 2.540 0 50 EFAA COCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)cc1 223311444 PLVXDXPOWDGKNH-QZTJIDSGSA-N 333.428 2.703 0 50 EFAA 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Cc1nc(C2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)cc(=O)[nH]1 82157526 PFBWTOZQIZIZOR-UHFFFAOYSA-N 342.443 2.655 0 50 EFAA COCCN1CCN(C(=O)[C@]2(c3ccccc3)CC23CCCC3)CC1 426412288 MZBPXBCUEWBLHZ-OAQYLSRUSA-N 342.483 2.679 0 50 EFAA CSCCCN1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91896235 CSVDLMBCEJVYDF-MRXNPFEDSA-N 340.533 2.623 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2F)C1 91914657 VIRWTAOGHPGCCC-INIZCTEOSA-N 329.799 2.730 0 50 EFAA C[C@H]1CCC(=O)N1CC(=O)N(Cc1ccccc1)CC(F)(F)F 95521295 OZASNYFURAFZJF-LBPRGKRZSA-N 328.334 2.588 0 50 EFAA Nc1nc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)c2[nH]cnc2n1 95502237 IRRXJZHABYAJHZ-UHFFFAOYSA-N 339.790 2.633 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 426578588 LFLQGJGOTUNYDE-CQSZACIVSA-N 330.432 2.972 0 50 EFAA COCCc1noc(CN(C)C(=O)Nc2cccc(SC)c2)n1 96132435 RTGYFZCFSXSIET-UHFFFAOYSA-N 336.417 2.644 0 50 EFAA CN(CC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)C1CCCC1 95375209 QGBGHXRTEGONLY-QGZVFWFLSA-N 344.455 2.965 0 50 EFAA N[C@H]1c2ccccc2C[C@@H]1NC(=O)CC[C@@H]1CCCN2CCCC[C@H]12 95504289 ISSBGLRTOLMOEK-RMYQPGKMSA-N 341.499 2.772 0 50 EFAA O=C(Cc1ccsc1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91593860 SVEFNPGXVFQXFR-LJQANCHMSA-N 346.496 2.932 0 50 EFAA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc(C)c1C 239121224 JNOPBKWZCJZEDV-YRRQLQLVSA-N 349.408 2.613 0 50 EFAA Cc1cccc(N2CC[C@H](CNC(=O)CN(C)C3CCCC3)C2)c1 244794901 QVXSALRXXNMYPN-QGZVFWFLSA-N 329.488 2.812 0 50 EFAA O=C(CCc1ccc(O)cc1)NC1CCN(Cc2ccncc2)CC1 183572408 WCXHBEKJSCVTRL-UHFFFAOYSA-N 339.439 2.501 0 50 EFAA O=C1[C@@H]2C[C@@H]3C(=CS(=O)(=O)c4ccccc4)[C@@H]4C[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@H]14 257359215 ZAPMCPUSTKKAOA-AHOUBVEHSA-N 326.417 2.691 0 50 EFAA C[C@@H]1CCCCN1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 252492025 MBCXCHRDDHVCHW-CYBMUJFWSA-N 337.414 2.852 0 50 EFAA CC(C)SCCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 534650491 VZLPVGHSDIOJSO-UHFFFAOYSA-N 339.480 2.795 0 50 EFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NC[C@@H]1CCOc2ccccc2C1 299756749 GEWAHTMIHWWNQV-CYBMUJFWSA-N 342.395 2.701 0 50 EFAA Cn1cnc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCC2)c1 299780945 BPONOIVDCIXWBS-KRWDZBQOSA-N 330.407 2.516 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc2c1CCC2 299800664 UTZWYQQBAPODDK-MRXNPFEDSA-N 331.460 2.750 0 50 EFAA CCn1nc(-c2ccc(Cl)cc2)nc1[C@@H]1NCCc2nc[nH]c21 823599640 GESYCOYXMSGXBM-CQSZACIVSA-N 328.807 2.577 0 50 EFAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cnc2c(c1)CCCC2 828199715 DAFHCQTYLFSQFX-UHFFFAOYSA-N 336.355 2.518 0 50 EFAA Cc1ncc(C(=O)NCc2cncn2C2CC2)c(-c2ccccc2)n1 670452343 HLPBCVWZQCHIIK-UHFFFAOYSA-N 333.395 2.913 0 50 EFAA COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(-c2cnco2)cc1 863947741 DOILYQXSRYCJGI-OAHLLOKOSA-N 345.399 2.729 0 50 EFAA O=S1(=O)CC[C@@](O)(CN[C@@H](C2=CCCCC2)C2CCCCC2)C1 952995091 CQFDVCUMYLSGRC-ZWKOTPCHSA-N 341.517 2.575 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)NCc1[nH]cc(C)c(=O)c1C 1456425768 UWGGQNMDZHUTCR-OAHLLOKOSA-N 332.375 2.605 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(Oc3ccccn3)cc2)C1 1875278102 YVUBCUVLKIJHID-SFHVURJKSA-N 326.352 2.811 0 50 EFAA C[C@@H](NC(=O)C1(C(=O)O)CCOCC1)c1ccc(Cl)c(F)c1 1875292975 YKQYHWJYQMTGRW-SECBINFHSA-N 329.755 2.538 0 50 EFAA O=C(NC1COC1)c1ccccc1SCc1cn2ccccc2n1 1875336831 NSFQESFTRLJZDF-UHFFFAOYSA-N 339.420 2.755 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3nc4ccccc4o3)nn(C)c21 1875403809 FAFBCFUCLORBQB-MNOVXSKESA-N 340.383 2.514 0 50 EFAA CCCc1nc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)cs1 952983910 SBDWPHHNQHSZBW-UHFFFAOYSA-N 346.456 2.848 0 50 EFAA Cc1cnc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)nc1N 1565510944 SFFNPPQRKJLKAO-MSOLQXFVSA-N 334.423 2.875 0 50 EFAA CNc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 412379683 GUUOWSXTJAOPKL-QFBILLFUSA-N 328.387 2.669 0 50 EFAA Cc1cc(N2CCN([C@H](C)c3nnc(C)s3)CC2)nc(C(C)C)n1 170594538 XFXJARDIQAMSHH-CYBMUJFWSA-N 346.504 2.952 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC1(C)OCCCO1 170612280 OYJWFKURTQHSCS-UHFFFAOYSA-N 347.390 2.511 0 50 EFAA COC[C@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccccc1 187702812 AWSIZIZZJOATEE-ZWKOTPCHSA-N 332.444 2.975 0 50 EFAA Cc1nn(C)cc1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 189713824 YCESRDVZMFIFRL-QGZVFWFLSA-N 341.459 2.905 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4nncn4c3)c12 189708505 BUAPNWNDEIJKST-UHFFFAOYSA-N 335.367 2.791 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 191203561 AXLSATXRPCEWFQ-SNVBAGLBSA-N 330.306 2.817 0 50 EFAA CC(C)C1CCC(N2CCN(CCN3CCOC[C@@H]3C)CC2)CC1 192740339 MPBCYGIJADLCCQ-HDYDNRTBSA-N 337.552 2.540 0 50 EFAA CN(CCN1CCCCC1)c1nc(-c2cccnc2)nc2c1CCC2 651477188 VJQBTVPDTQNQDO-UHFFFAOYSA-N 337.471 2.949 0 50 EFAA COc1ncc(C)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653539614 FVEUFQKTJSXUHG-GRYCIOLGSA-N 335.404 2.656 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775980395 WYZJDSNIAIQSPR-FQEVSTJZSA-N 349.438 2.574 0 50 EFAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)c1ccoc1 11976841 WAXIAVZWJVMBHP-HNNXBMFYSA-N 339.326 2.609 0 50 EFAA COCCC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12073658 WYPBCUVSRVPCGO-AWEZNQCLSA-N 331.334 2.512 0 50 EFAA CC(=O)c1cccc(CN[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 12439908 DSICQNXEBUNRFO-FQEVSTJZSA-N 336.435 2.822 0 50 EFAA O=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)[nH]c2ccccc12 16489106 GDXNEUSOWIYMDE-UHFFFAOYSA-N 347.330 2.935 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)c1 16623850 LJPCYVOBJZOVRL-UHFFFAOYSA-N 346.452 2.871 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cccc(-c3ccco3)c1)C2 1857669227 IVLXYQXLJLZFRA-QFBILLFUSA-N 327.380 2.870 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1CC[C@H](c2ccccc2)N1 1857715939 OREHFILCIHCYLI-RTBURBONSA-N 346.434 2.982 0 50 EFAA O=C([C@@H]1CCc2nncn2C1)N1CC=C(c2cccc(Cl)c2)CC1 329082647 SHZQDKUZLUFROD-OAHLLOKOSA-N 342.830 2.810 0 50 EFAA COc1ccc(CNC(=O)Cn2ccc3ccccc32)cc1C(=O)O 237317435 KCDCEBJERZFZQL-UHFFFAOYSA-N 338.363 2.665 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)CCc1ccc(Br)cc1F 237590203 IQIZBNFJWJGULC-GXFFZTMASA-N 343.240 2.859 0 50 EFAA NC[C@@H]1CCCCN1C(=O)CCc1ccccc1OC(F)(F)F 237827729 BGZOHMZGCPRBGR-ZDUSSCGKSA-N 330.350 2.858 0 50 EFAA O=C(Nc1nc(C2CC2)cs1)c1cc(N2CCOCC2)ccn1 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332.407 2.557 0 50 EFAA CN=c1ncc(CN[C@H](C)Cc2c(Cl)cccc2Cl)c[nH]1 2325854816 WLCUGFCZPASCEJ-SNVBAGLBSA-N 325.243 2.968 0 50 EFAA CN(C)Cc1cc(CNC(=O)c2nccc3[nH]ccc23)ccc1F 2325856126 BNXWYEGEKYELDQ-UHFFFAOYSA-N 326.375 2.694 0 50 EFAA CCc1cccc2c(C(=O)N[C@@H](Cc3ccoc3)C(=O)O)c[nH]c12 2325876527 YKEAEEIYLZFTSR-HNNXBMFYSA-N 326.352 2.749 0 50 EFAA Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 379397 DIJMKLPZGZOZOQ-UHFFFAOYSA-N 346.452 2.587 0 50 EFAA O=c1c2ccccc2[nH]c(=S)n1C[C@H]1COc2ccccc2O1 2812136 FLCMAKAVYCIASK-NSHDSACASA-N 326.377 2.899 0 50 EFAA CCc1c(C)sc(NC(=O)Cc2ccccc2OC)c1C(N)=O 6741838 OBUVDXYCFFUWRM-UHFFFAOYSA-N 332.425 2.908 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 133752250 XWCZCJMGFJHLMZ-OAHLLOKOSA-N 328.391 2.788 0 50 EFAA CCc1c(C(=O)N[C@@H](C)CCC(=O)O)cnn1-c1ccc(C)cc1 225552886 UMBSHRCDKQDLHL-ZDUSSCGKSA-N 329.400 2.726 0 50 EFAA CCn1ccnc1CNC(=O)c1ccc([C@H](C)N2CCCCC2)o1 55413011 CDFSGIAMBSTUBH-AWEZNQCLSA-N 330.432 2.973 0 50 EFAA 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EFAA C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC(Cc2ccccc2)C1 378499165 UBMWMFLMTZWGNO-HNNXBMFYSA-N 337.423 2.898 0 50 EFAA O=C(O)c1cccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1 238201096 OUWIFQZSLVFLGE-GOSISDBHSA-N 339.391 2.859 0 50 EFAA Cc1c(NC(=O)NCC(F)(F)F)cccc1C(=O)N1CCCC1 284521654 FXEUWXGVIWAWRL-UHFFFAOYSA-N 329.322 2.915 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ns1 496065220 WRHMXQOKRFRCHQ-ZYHUDNBSSA-N 339.461 2.969 0 50 EFAA CCOc1cccnc1C(=O)N1CCC(c2cnn(CC)c2)CC1 176440505 VLYVOXXFQXPDCZ-UHFFFAOYSA-N 328.416 2.717 0 50 EFAA Cc1cc(C(=O)NCc2cn3c(n2)SCC3)c2ccc(F)cc2n1 82098099 DFZRUZKMZHZUSE-UHFFFAOYSA-N 342.399 2.915 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CC=C[C@H]2C(C)C)n1 426473342 CDODPEOPWSPFLX-NSHDSACASA-N 328.338 2.910 0 50 EFAA c1ccc2c(c1)CC[C@H](n1ccnc1)[C@@H]2NCc1cnc2cnccn12 290331591 DUGXWABZVBSQSI-AZUAARDMSA-N 344.422 2.944 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 179006386 KBPONLPJTKEQLM-NNNHXZLVSA-N 328.334 2.666 0 50 EFAA CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1c(F)cccc1F 178453199 QQUYJWVPKGRNPZ-LLVKDONJSA-N 335.354 2.996 0 50 EFAA O=C(COc1cccnc1)NC[C@@H](c1ccccc1)N1CCCCC1 221367144 NCYMFCGBDNWWIK-IBGZPJMESA-N 339.439 2.804 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@@H](c2nccn2C)C1 82125985 CHUPXRTYUVRGPL-MRXNPFEDSA-N 327.428 2.768 0 50 EFAA Cc1nc(C(=O)N(CCN2CCOCC2)c2ccccc2)c(C)s1 179281682 ZRLMGURSWHONIJ-UHFFFAOYSA-N 345.468 2.739 0 50 EFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1 92046021 FIQWAQVAAXPYDW-VLIAUNLRSA-N 346.471 2.731 0 50 EFAA O=C(NC[C@H]1CCCN(CCc2ccccc2)C1)N1CCSCC1 426727382 HWCFMFCEMFVDLQ-GOSISDBHSA-N 347.528 2.700 0 50 EFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 97259300 LGXVNVQKPBPGDN-LSDHHAIUSA-N 339.395 2.568 0 50 EFAA Cc1nnc(CNc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1C 180566704 CWVLYWIUPDTTFY-OKILXGFUSA-N 341.459 2.854 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1ccc(C)o1 95511828 SGWZXGFORNLYSJ-HZPDHXFCSA-N 330.384 2.542 0 50 EFAA COc1ccccc1CCC(=O)N1CCC(c2nccn2C)CC1 91860598 OYOYWSHZJXAZNY-UHFFFAOYSA-N 327.428 2.768 0 50 EFAA C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc2c(cc1Cl)OCO2 299357946 IZVHJBKPNZBFSI-ZJUUUORDSA-N 327.764 2.591 0 50 EFAA O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc2ccnn12 534590939 KDQUOATUXULCBV-CQSZACIVSA-N 338.386 2.730 0 50 EFAA Cc1cccn2c(CC(=O)NCc3nc4c(s3)CCCC4)cnc12 299787954 UIPJWNKJXSSGHD-UHFFFAOYSA-N 340.452 2.837 0 50 EFAA O=C(Nc1ccccc1CN1CCCCC1)N1CCc2n[nH]cc2C1 299801009 WWWZIRQKRZTKJA-UHFFFAOYSA-N 339.443 2.986 0 50 EFAA CCn1cc(C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)cn1 823602198 XBMMSHUZEXMAAR-CQSZACIVSA-N 332.473 2.607 0 50 EFAA COCCc1nc(C2CCN(C)CC2)n(Cc2ccccc2C)n1 670467163 GDSKKGJJKTVSCU-UHFFFAOYSA-N 328.460 2.633 0 50 EFAA Cc1cccnc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952849123 YKFVEFYTWZGIBO-CABCVRRESA-N 337.427 2.651 0 50 EFAA CO[C@H]1C[C@H](n2nnnc2N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)C1 952878996 LDIYHLIUTJHEMS-ORQFMDKSSA-N 327.432 2.714 0 50 EFAA 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334.351 2.715 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cn1 193044865 NVVGHQAJBYNAQY-UHFFFAOYSA-N 326.327 2.848 0 50 EFAA CCS(=O)(=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 195291531 YLJRWABDSNPEOI-ZIAGYGMSSA-N 341.498 2.586 0 50 EFAA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1O 780395755 KXTYIWJMLAZSFS-UHFFFAOYSA-N 343.307 2.829 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cnc(C)c(C)c2)cc1Cl 1506402278 MWOJUTUJHOOYRJ-UHFFFAOYSA-N 340.832 2.839 0 50 EFAA Oc1cc([C@H]2CCCN(Cc3cc(-c4cccnc4)no3)C2)ncn1 1506406961 HUZXBEBAECJMLU-AWEZNQCLSA-N 337.383 2.612 0 50 EFAA O=c1cc(CO)n(OCc2ccccc2)cc1OCc1ccccc1 206041870 VMQOSZRTWCBRCR-UHFFFAOYSA-N 337.375 2.548 0 50 EFAA CCc1cc(NCCc2noc(C3CCC3)n2)nc(N2CCCC2)n1 1704340907 XUROYIIMSGBASR-UHFFFAOYSA-N 342.447 2.944 0 50 EFAA C[C@H]1CCc2c(sc3ncn(CC(=O)NC4CCCC4)c(=O)c23)C1 5610335 UVVRHWVRWPDLRC-NSHDSACASA-N 345.468 2.642 0 50 EFAA CC(C)CSc1nnc(CCNC(=O)c2cccc(F)c2)n1C 14980417 NKDIEGFIDXFNNC-UHFFFAOYSA-N 336.436 2.675 0 50 EFAA CC[C@H](Oc1ccc(Br)cc1)C(=O)NC1=NCCS1 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CC[C@H](Sc1nc(OC)cc(=O)[nH]1)C(=O)N[C@H](C)c1ccccc1 4632363 XQKBSNWLMKKCFF-YPMHNXCESA-N 347.440 2.527 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC/C=C/c2ccccc2)CC(=O)N1C 328642214 YGNAHNAGLDMGSL-JTMFDWDJSA-N 338.455 2.612 0 50 EFAA COc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)o1 77519456 XTGZWHNQEQFNIC-UHFFFAOYSA-N 332.375 2.775 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(C)n([C@H](C)C2CC2)n1 329478312 OOGDFYKZKGTFFU-PBHICJAKSA-N 341.459 2.972 0 50 EFAA COc1ccc(OC)c2c1CN(c1nnc(C(C)C)s1)C[C@@H]2O 153060522 JXLLWSNTSYIWSK-NSHDSACASA-N 335.429 2.732 0 50 EFAA CC(C)COc1ncc(CNC(=O)C2CCC(O)CC2)cc1Cl 253423995 VNGNFMMEYPUUNJ-UHFFFAOYSA-N 340.851 2.937 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2nc(C(F)(F)F)cs2)on1 174987800 ZCMAVKLSTINJPR-MRVPVSSYSA-N 348.350 2.917 0 50 EFAA CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)O)c(C)c2)C1 236701622 DDRXDXIZYIPXFK-CYBMUJFWSA-N 332.400 2.670 0 50 EFAA CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1 367151954 DGIOKBUDJNDISE-UHFFFAOYSA-N 337.489 2.948 0 50 EFAA 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CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 219548008 FXJHYUZJZDMHQT-GDBMZVCRSA-N 331.368 2.996 0 50 EFAA Nc1ccsc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72479092 URKPLSSUXCZPMO-INIZCTEOSA-N 341.480 2.646 0 50 EFAA COc1ccc(CN2CC[C@@](O)(CN3CCCCC3)C2)cc1Cl 77321245 XOMGSMZRWNPQEM-GOSISDBHSA-N 338.879 2.771 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccnc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 240912236 IWSVJONTRHKWBT-LTIDMASMSA-N 332.469 2.698 0 50 EFAA Cc1cnc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C2CC2)s1 173587720 GRWCWNZBHDTXOV-OAHLLOKOSA-N 343.408 2.664 0 50 EFAA Cc1ccc(F)c2c1N(C(=O)c1cncc(-n3ccnn3)c1)CCC2 338524732 RDLWRAOMIOOOCI-UHFFFAOYSA-N 337.358 2.703 0 50 EFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCC(=O)N1CCCCC1 175356086 LRARXFZDHDPSFB-FUHWJXTLSA-N 343.471 2.977 0 50 EFAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cc(C(N)=O)c[nH]1 287027530 QSKLNKHPGSKDDM-BLLLJJGKSA-N 341.411 2.736 0 50 EFAA C[C@H]1CCCCN1CCC1CCN(c2cnc(C(=O)O)cn2)CC1 263489388 ICRUTRANLGVQCQ-AWEZNQCLSA-N 332.448 2.656 0 50 EFAA 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Cc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1O 91563487 AUNBIVCPBAUXME-JKSUJKDBSA-N 325.364 2.641 0 50 EFAA CNc1ncc(C(=O)N(Cc2ccccc2C)C[C@H]2CCCO2)cn1 97425639 SARFZXHAAFZPJH-QGZVFWFLSA-N 340.427 2.648 0 50 EFAA Cc1ccc(N2CC[C@@H](Nc3ncnc4c3ncn4C3CC3)C2=O)cc1 292841103 VGPJGMMAGBBAQG-OAHLLOKOSA-N 348.410 2.687 0 50 EFAA CCN(CCn1cccn1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 91563552 DDFIPESXQXQNSU-UHFFFAOYSA-N 327.363 2.575 0 50 EFAA COc1ccccc1CCNC(=O)[C@H](c1cccc(C)c1)N(C)C 95356304 RCWKLTRSEKJUTM-IBGZPJMESA-N 326.440 2.965 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)[nH]n1 91817502 HJYGUABKTLLCIK-MRXNPFEDSA-N 328.416 2.579 0 50 EFAA CCCn1cnnc1[C@H](C)NCc1cc(=O)c2cc(C)ccc2[nH]1 91819505 XEWSYVXXMODATO-ZDUSSCGKSA-N 325.416 2.689 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)CC[C@@H]1CCCN(C)C1)nn2C 92020199 XGWBHSPTCXGAFB-HNNXBMFYSA-N 328.460 2.620 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-n1cccn1 240128342 IQALXWBGYGQUSP-DOXZYTNZSA-N 348.406 2.509 0 50 EFAA O=S(=O)(CC[C@@H]1CCCO1)N1CCc2c1cccc2C(F)(F)F 185058008 JKSUQUFNLCIWJD-NSHDSACASA-N 349.374 2.967 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)NCCCc1ccccc1F 358052510 VVBDDWNPIDUGMB-UHFFFAOYSA-N 331.391 2.620 0 50 EFAA CCCN1CC[C@@H](CNC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1 534663302 FXMYIZPDLHXAEI-ZDUSSCGKSA-N 347.438 2.575 0 50 EFAA CN(C)c1cccc(-c2cccc(C(=O)NCCc3nncn3C)c2)c1 299794096 ICVOMVPYDPVRTL-UHFFFAOYSA-N 349.438 2.521 0 50 EFAA COc1ccc(-c2ccc(NC(=O)NC[C@H]3COCCO3)cc2)cc1 299799279 QKNUCXGRJDIVHO-SFHVURJKSA-N 342.395 2.899 0 50 EFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1coc(C)n1)CC2 299793520 IIDDWJDWZBNDBX-ZIFCJYIRSA-N 343.427 2.969 0 50 EFAA Cc1cc(C(F)(F)F)c(N2CC[C@]3(C2)C(=O)Nc2ccccc23)nn1 685939855 GXVDDUCNYZHIRI-MRXNPFEDSA-N 348.328 2.904 0 50 EFAA C[C@@H]1CCC[C@](O)(CNC(=O)Nc2c[nH]nc2-c2nccs2)C1 1875265227 WUEFHWBKONZIKI-MEBBXXQBSA-N 335.433 2.596 0 50 EFAA COC(=O)/C=C/CCNC(=O)CCCc1nc2ccccc2s1 1875311733 LTDQHEZAJDGMEH-NYYWCZLTSA-N 332.425 2.855 0 50 EFAA 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CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)n1 275664681 VGUHTLZTVDMASY-QGZVFWFLSA-N 349.438 2.628 0 50 EFAA CCS(=O)(=O)c1ccccc1NC[C@](C)(O)c1ccsc1 276310850 NBSOQOBWWASVJE-HNNXBMFYSA-N 325.455 2.861 0 50 EFAA COC(=O)c1cncnc1/C=C/c1cc(O)ccc1Br 408515142 LRBGKBOOZFYKJV-GORDUTHDSA-N 335.157 2.902 0 50 EFAA C[C@H](O)CNC(=O)c1cccc(Oc2nc3cc(F)ccc3o2)c1 169999314 ZSBJZHRLTBUASJ-JTQLQIEISA-N 330.315 2.870 0 50 EFAA C[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CN1C1CC1 170026717 FJYHLMJVBBDHDX-JSGCOSHPSA-N 330.476 2.871 0 50 EFAA CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cc2c(=O)[nH]cnc2cn1 188789995 VZDHVIRDOHGKGW-QGZVFWFLSA-N 348.406 2.762 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](CN3CCCC3)C2)cn1 189660843 PLKJKYQQMBBSEI-LSDHHAIUSA-N 331.464 2.804 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccc3nccn23)C1 190489923 FOWVAFWUUHENBN-SFHVURJKSA-N 335.455 2.683 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](COC)Cc1ccccc1 190435109 GWICALIDTQZJTO-FHWLQOOXSA-N 343.471 2.970 0 50 EFAA COc1c(C)cnc(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)c1C 643730246 RFRIKIUKHJAEIF-QGZVFWFLSA-N 341.459 2.900 0 50 EFAA Cc1nccn1C[C@@H](C)CNC(=O)NCc1ccc2ncccc2c1 194123544 NWRXPEKDDFQQBL-AWEZNQCLSA-N 337.427 2.875 0 50 EFAA CSc1nc(N)cc(N2CCCN(Cc3cccs3)CC2)n1 1506430927 ZMHSQHVRLPSUCN-UHFFFAOYSA-N 335.502 2.555 0 50 EFAA CN(CCCC1CCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529112016 FUCBORDLHQWJAO-MOPGFXCFSA-N 344.455 2.672 0 50 EFAA O=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1sccc12 1704312328 IRCAWDRRBRGNOQ-UHFFFAOYSA-N 332.400 2.986 0 50 EFAA O[C@H](CNc1ncc2scc(Br)c2n1)C(F)(F)F 656177913 LSBBUCVLQZCJHE-ZCFIWIBFSA-N 342.140 2.789 0 50 EFAA CC(C)N1C[C@@H](CN2CCC(c3ccnc(O)c3)CC2)CCC1=O 1772815030 HFPAOSGRKSIKNV-OAHLLOKOSA-N 331.460 2.614 0 50 EFAA CCN(CC)c1ncccc1CNC(=O)c1coc2c1C(=O)CCC2 12089855 UYTFMUBPRHQURQ-UHFFFAOYSA-N 341.411 2.970 0 50 EFAA COc1cccc(CN2CCC[C@@H](NC(=O)CC(F)(F)F)C2)c1 14949288 UKDGCJADGIRHEZ-CYBMUJFWSA-N 330.350 2.728 0 50 EFAA Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2[nH]ncc2C)C1 14988960 HNZHTPFGRHTNOU-ZDUSSCGKSA-N 337.420 2.734 0 50 EFAA CCc1ccc(N2C[C@@H](c3noc(-c4cnccn4)n3)CC2=O)cc1 169755408 KFKMDXWCWXSPHV-ZDUSSCGKSA-N 335.367 2.610 0 50 EFAA Cc1ccc(C(=O)NCCCNC(=O)c2ccc(O)cc2)c(Cl)c1 225433901 PMLASSDJIUREIO-UHFFFAOYSA-N 346.814 2.904 0 50 EFAA COC[C@@H]1CCCN(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)C1 113362409 HFJVLRTYUOJDKJ-OAHLLOKOSA-N 343.431 2.774 0 50 EFAA C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 229490222 HFFIWOWFWVNORA-KBAYOESNSA-N 328.456 2.945 0 50 EFAA CCS(=O)(=O)c1ccc(O)c(Nc2nc(C)nc3c2CCC3)c1 11907816 SREZKKAHKKIAPP-UHFFFAOYSA-N 333.413 2.517 0 50 EFAA C[C@H](C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)n1cncn1 239539164 AVPRKTDLQXHMMT-SNVBAGLBSA-N 347.831 2.932 0 50 EFAA Cc1cccn2cc(CNC(=O)c3csc([C@H]4CCCO4)n3)nc12 132524966 KMKJPTBPSURWJP-CQSZACIVSA-N 342.424 2.881 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 252508619 XPXUKTCWVPVJKC-LLVKDONJSA-N 336.819 2.940 0 50 EFAA CC1(C)Cc2cccc(NC(=O)c3ccc(CS(C)(=O)=O)o3)c2O1 252507281 WFYNFSBSTKJUOL-UHFFFAOYSA-N 349.408 2.790 0 50 EFAA COc1ncccc1NC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 253415386 HPNNDXOFAZIYCY-NHYWBVRUSA-N 349.337 2.708 0 50 EFAA O=C(O)[C@H]1CC12CCN(C(=O)CCCOc1cccc(F)c1)CC2 262468151 RUWFRCJZKBNOIR-OAHLLOKOSA-N 335.375 2.698 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CCCN2C(C)=O)c(C(F)(F)F)c1 265366722 YJSOUVXDPLSLBV-ZDUSSCGKSA-N 330.306 2.663 0 50 EFAA CC[C@H]1c2ccsc2CCN1C(=O)CN(C)Cc1cccc(O)n1 933394783 XCPFXBLEABBIJW-HNNXBMFYSA-N 345.468 2.817 0 50 EFAA COc1cccn2ncc(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)c12 934901700 GJYYQZWAADQNLQ-ZDUSSCGKSA-N 339.395 2.752 0 50 EFAA Cc1cc(S(=O)(=O)NCCCn2ccnc2)c(C)cc1Cl 4385859 IJYIHKVWARMNQZ-UHFFFAOYSA-N 327.837 2.522 0 50 EFAA C[C@@H](NC(=O)NCc1cn(C)cn1)c1ccc2nc(C3CC3)[nH]c2c1 2325768721 DHFUIYLYGQFBEI-LLVKDONJSA-N 338.415 2.734 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]2NCCC[C@@H]2C1 2325774947 JVUZODLMASNDCF-AEFFLSMTSA-N 336.439 2.666 0 50 EFAA O=C(Nc1cc(F)ccc1OC(F)F)Nc1n[nH]c2c1COCC2 887885439 JSMIKMHDKUAXBY-UHFFFAOYSA-N 342.277 2.867 0 50 EFAA CCc1nc(C)c(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)o1 12091855 XCACROKVGRJFIS-QGZVFWFLSA-N 341.455 2.982 0 50 EFAA Cc1ccc(OCC(=O)NCc2ccncc2)c(Br)c1 186299 HRFACMDLMQEMMZ-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA C[C@H]1CCc2sc3nc(Cc4ccccc4)n(N)c(=O)c3c2C1 242536 SXGXQWUYLLEZRJ-NSHDSACASA-N 325.437 2.887 0 50 EFAA Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1C(=O)O 311766 ZKNITGHNFNFMLL-UHFFFAOYSA-N 328.393 2.749 0 50 EFAA COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C 416135 DBECMXHDTUTJJD-UHFFFAOYSA-N 344.396 2.815 0 50 EFAA CN(C(=O)CSc1nnc(-c2ccncc2)n1C)C1CCCCC1 3578139 AAFMNVZTAMSXKG-UHFFFAOYSA-N 345.472 2.760 0 50 EFAA CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C 4521789 CFUKEHPEQCSIOM-UHFFFAOYSA-N 339.409 2.707 0 50 EFAA CC(C)COc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 6697430 SXANAPZFJTUSFX-UHFFFAOYSA-N 348.424 2.621 0 50 EFAA CCc1sc(C(=O)N2CCCN(C)CC2)cc1Br 6741832 BCWNVPJVVCNIAJ-UHFFFAOYSA-N 331.279 2.851 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccccc2)n1C[C@@H]1CCCO1 6742688 XAQFFTKXCMLATL-AWEZNQCLSA-N 346.456 2.750 0 50 EFAA CC(C)[C@H](NC(=O)N1C[C@@H](C)OC2(CCOCC2)C1)C(F)(F)F 417441178 ZTIYJDKPGWXEPB-NEPJUHHUSA-N 338.370 2.553 0 50 EFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(Cc4ccccc4)nc3c12 9184266 WANRAMMJRLSCOK-UHFFFAOYSA-N 348.454 2.848 0 50 EFAA Cc1ccc(F)cc1C(=O)C(=O)NCc1ccc(C[S@](C)=O)cc1 344084380 KHCNFUKFOKRGFP-DEOSSOPVSA-N 347.411 2.512 0 50 EFAA CCCn1ncc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1C 22925873 XAMXCWJUWGOWFQ-SFHVURJKSA-N 336.524 2.516 0 50 EFAA COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1OC 103727462 MYMFUEWESBGZKP-UHFFFAOYSA-N 331.392 2.901 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23C=C(CCCC2)[C@H]13 101048470 ANXICUYLFIGNSO-LJCCNALRSA-N 333.391 2.583 0 50 EFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)[C@H](N)C(C)C)c1 55327450 HTMURSXBIPHCEI-QGZVFWFLSA-N 341.411 2.869 0 50 EFAA Cc1ccc(-c2ccc(S(N)(=O)=O)cc2F)c(-n2cccn2)c1 67934809 AITLMNSDLJQWTK-UHFFFAOYSA-N 331.372 2.634 0 50 EFAA CCc1ccc(C(=O)N2CCc3cccc(F)c32)cc1S(C)(=O)=O 345855458 RZCWLTJXXNFHIT-UHFFFAOYSA-N 347.411 2.995 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)ccc2C)C1 347959615 ZZUNKPOFTBSKHJ-OCCSQVGLSA-N 346.324 2.806 0 50 EFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCCn3cncn3)[nH]c2c1 61633035 BMSKONXJTFMPPZ-INIZCTEOSA-N 338.415 2.607 0 50 EFAA C[C@@H]1CN(CCOc2ccccc2)CCN1C[C@@H](O)c1ccccc1 229375673 FKEJYNBSRUGQDO-WIYYLYMNSA-N 340.467 2.805 0 50 EFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](Cn2cncn2)C1 229531407 SPRLWJDXAPFJCS-HUUCEWRRSA-N 338.415 2.801 0 50 EFAA C[C@@H](CNC(=O)c1cc(-n2cccc2)ccn1)N1CCC[C@@H](C)C1 351706013 NCQRGIKLWSCUJI-CVEARBPZSA-N 326.444 2.723 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1Cc1n[nH]c2ccc(OC)cc12 77379879 ZZFNHFASLYZFAO-CYBMUJFWSA-N 331.416 2.879 0 50 EFAA CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)CC 65364036 HYEAMVAJLYSKBN-UHFFFAOYSA-N 333.413 2.510 0 50 EFAA O=C(O)c1cc2n(n1)CCN(C(=O)c1ccccc1-c1ccccc1)C2 65463665 RVGNPRGNSZQJAZ-UHFFFAOYSA-N 347.374 2.904 0 50 EFAA O=C(Nc1cc(F)c(F)cc1F)N1CCCN(C(=O)C2CC2)CC1 121985901 XRVLQERPPZWZEG-UHFFFAOYSA-N 341.333 2.580 0 50 EFAA COc1ccc(Cl)cc1C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F 204402 LBOHIURHEHIWGY-GFCCVEGCSA-N 336.697 2.821 0 50 EFAA Cc1cnc(C)c(N2CCN(Cc3ccc4cccc(O)c4n3)CC2)n1 67921378 LBCSMRKBIGOCQB-UHFFFAOYSA-N 349.438 2.669 0 50 EFAA O[C@@H]1CCCN(c2ncccc2CNc2cnc3ccccc3n2)C1 67562016 GYDZNHYQBYCFHH-OAHLLOKOSA-N 335.411 2.598 0 50 EFAA Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CCCC12CCOCC2 282059486 MMROCWSYKCWCTQ-ZWKOTPCHSA-N 333.472 2.982 0 50 EFAA O=C(COc1ccc(F)cc1F)NCCc1nc2ccccc2[nH]1 4625313 KWHVSKGXQPAFRV-UHFFFAOYSA-N 331.322 2.579 0 50 EFAA CCOC(=O)C(CCCCOc1cccc(OC)c1)C(=O)OCC 5325079 JXAVHOFDIAHNDX-UHFFFAOYSA-N 338.400 2.987 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1ccsc1 328652604 WMMCFGSSZUBKEA-STQMWFEESA-N 339.461 2.889 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3sccc3C)CC2)no1 328630982 JZVYMNVBHOEFLM-AWEZNQCLSA-N 348.472 2.875 0 50 EFAA CC(C)N(C(=O)CCn1c(S)nc2ccccc2c1=O)C1CCC1 154228869 YBTHZYGZFXCOOC-UHFFFAOYSA-N 345.468 2.865 0 50 EFAA C[C@H](C(=O)NCCc1nc(C(F)(F)F)cs1)C1CCOCC1 154250277 RFKJJOSGUMXPPO-VIFPVBQESA-N 336.379 2.883 0 50 EFAA O=C([C@@H]1CCN(C2CCCCC2)C1)N1CCC(c2cn[nH]c2)CC1 363662349 ZOKKDPDHGBQAJJ-MRXNPFEDSA-N 330.476 2.770 0 50 EFAA O[C@@H]1CCCN(C2CCN(Cc3c(Cl)cncc3Cl)CC2)C1 72473565 FCSMVVIECCLEST-CYBMUJFWSA-N 344.286 2.810 0 50 EFAA Cc1[nH]c2c(c1C(=O)NCCc1nc3ccccc3o1)C(=O)CCC2 219273120 AGILROFSPOOTBW-UHFFFAOYSA-N 337.379 2.956 0 50 EFAA CCOCCN1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71681454 AAFOJGCENNRXFN-GOSISDBHSA-N 336.451 2.921 0 50 EFAA Cc1nnc([C@@H]2CN(Cc3c(F)cccc3N3CCCC3)CCO2)o1 376031465 HUODTXOZPYHINQ-KRWDZBQOSA-N 346.406 2.691 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2oc3ccccc3c2C)C1 284500026 CQZVMTZFRLGKEJ-OCCSQVGLSA-N 340.383 2.770 0 50 EFAA COc1cccc(OCC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1 223632936 ZIIMOMSKWRQYJI-RNQOJCNYSA-N 345.439 2.784 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)on1 220352043 AQKDEEKSNOABAY-CQSZACIVSA-N 338.411 2.818 0 50 EFAA CSc1ccc(CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C2CC2)cc1 426535193 PJYNHJWJGWIZTK-CQSZACIVSA-N 347.484 2.703 0 50 EFAA O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1C[C@H]1C(=O)O 263581448 XEMSLKASTWNAJP-XQQFMLRXSA-N 327.302 2.993 0 50 EFAA Cn1c2c(cc(C(=O)N[C@@H]3CCc4ccccc4C3)c1=O)CCCC2 426444450 FFWIELOTXLEOEK-QGZVFWFLSA-N 336.435 2.551 0 50 EFAA C[C@@H](NC(=O)N1CCOc2ccc(Cl)cc2C1)c1cnn(C)c1 426428216 DJSFMXCJFQDMPK-LLVKDONJSA-N 334.807 2.739 0 50 EFAA Cc1c(NC(=O)N(Cc2nccs2)C2CC2)cccc1C(N)=O 426425515 VEYJRXUYWKZRSO-UHFFFAOYSA-N 330.413 2.747 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NCc3snnc3C)c12 292196740 XDUCEMSPPKBABU-UHFFFAOYSA-N 330.413 2.585 0 50 EFAA Cc1cccn2c(CNC(=O)c3ccc(-c4cc[nH]n4)cc3)cnc12 91547357 WQZLLKPBOKTNNU-UHFFFAOYSA-N 331.379 2.963 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)C2CCN(C(C)C)CC2)n1 95356292 PNGHFFDGMOYFAS-UHFFFAOYSA-N 344.381 2.540 0 50 EFAA CN(C)[C@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccccc1F 95374730 HWVSYUKTQGRPIV-SFHVURJKSA-N 346.377 2.857 0 50 EFAA CN(Cc1nccn1C(F)F)C(=O)[C@@](C)(O)c1ccc(Cl)cc1 292865799 SMRRYRQESSGERO-HNNXBMFYSA-N 343.761 2.798 0 50 EFAA O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 97272496 UVOUIDNZHFVLHX-LJQANCHMSA-N 330.472 2.974 0 50 EFAA Cc1ccc(NC(=O)N2CCN(CC3CCN(C)CC3)CC2)cc1F 96162328 JTTWYEDEIPQMLM-UHFFFAOYSA-N 348.466 2.625 0 50 EFAA Cc1cnccc1NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 179877421 ORSVACIRPYQCFJ-MRXNPFEDSA-N 338.411 2.560 0 50 EFAA O=C(CCN1CCC[C@H](c2ncc[nH]2)C1)NCc1cccc(Cl)c1 244794617 QQIDFHASOUHXAZ-HNNXBMFYSA-N 346.862 2.949 0 50 EFAA C[C@H](NC1CCN(C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C 183677448 XUBJEPNBEADQRF-GOEBONIOSA-N 325.497 2.848 0 50 EFAA Cc1nc(CCN2CCC(NC(=O)c3ccsc3)CC2)cs1 253416856 CVQDLILXOIUZMA-UHFFFAOYSA-N 335.498 2.950 0 50 EFAA Cc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)cc1 263617631 OUMRENJCLHAOIP-GOSISDBHSA-N 348.406 2.788 0 50 EFAA CCC(=O)NCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299771642 VFSANJXZXBICSO-XHSDSOJGSA-N 340.427 2.789 0 50 EFAA Cc1cccc(-c2cccc(NC(=O)N3CC[C@H](O)[C@@H](O)C3)c2)c1 299769067 MIBHUNLOMDRIIR-ROUUACIJSA-N 326.396 2.621 0 50 EFAA Cc1cc(=O)c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cn1C 575997556 KIAVFHZPMZMZKA-MRXNPFEDSA-N 342.395 2.504 0 50 EFAA COc1cccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c1 824789993 WFBSMIQZUVXWDL-UHFFFAOYSA-N 329.429 2.671 0 50 EFAA C[C@@H]1CN(CCOc2cccc(C(=O)O)c2)CC[C@@H](C(F)(F)F)O1 872167980 PNSAMZNGPQRJCN-RISCZKNCSA-N 347.333 2.805 0 50 EFAA CCOc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2C(=O)O)nc1 952889739 LIBIFJRVKRLTON-OAHLLOKOSA-N 330.388 2.629 0 50 EFAA Cc1cc(OCCC[C@@](C)(On2cccn2)C(=O)O)ccc1Cl 1875280764 PJADJFDWXONETB-MRXNPFEDSA-N 338.791 2.976 0 50 EFAA CCc1cc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c(C)o1 1875274339 PRTPERHJFZTOAY-UHFFFAOYSA-N 328.416 2.520 0 50 EFAA Cc1cc(C(=O)NC2CCN(c3c(F)cncc3Cl)CC2)no1 1875286462 URYIDFQJZZERSF-UHFFFAOYSA-N 338.770 2.569 0 50 EFAA CCN(Cc1nccs1)C(=O)c1cc(-c2cccnc2)nn1C 1875270953 VRKVZVPUHGXUQW-UHFFFAOYSA-N 327.413 2.601 0 50 EFAA Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@H]1CCCC(=O)N1 1875271132 WZPLBPNIQIPUDQ-CYBMUJFWSA-N 331.803 2.595 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](CC)c2ncc(C)[nH]2)cc1 1875371806 MLUXDSXYVDVCFW-OAHLLOKOSA-N 326.400 2.748 0 50 EFAA Cc1noc(C)c1CN(C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C)C1CC1 1875393677 KPLSVOCYCKQACR-SKDRFNHKSA-N 344.415 2.842 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2nc(N)nc3c2CCCC3)c1 952873067 UZZKQYNEFRSALE-INIZCTEOSA-N 338.411 2.533 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)COCc3ccccc3)cc2[nH]1 952973457 TUPUERKLPSEUOX-GFCCVEGCSA-N 325.368 2.772 0 50 EFAA COc1cc(NC(=O)[C@H]2CCCCN2)ccc1NC(=O)CC(C)C 952964461 ONCDHHCXSXMQPY-OAHLLOKOSA-N 333.432 2.760 0 50 EFAA CSCC[C@H](NC(C)=O)C(=O)N(CC1CC1)C1CCCCC1 952860671 QVVLXYFEHLNLNU-INIZCTEOSA-N 326.506 2.816 0 50 EFAA COc1cccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)c1 886038163 HNIIWWNKJRRWMO-HIFRSBDPSA-N 330.350 2.727 0 50 EFAA CC(=O)NCc1cc(O[C@H]2CCN(CCC3CCCC3)C2)ccn1 886072069 NLGHTIFOPWVUMF-IBGZPJMESA-N 331.460 2.751 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CN(CCc2ccccc2)CC[C@@H]1O 1529105473 CBBMXLVYDDDXJY-FPOVZHCZSA-N 339.435 2.609 0 50 EFAA 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COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(C)s2)n1N 170594235 CHKKEVPAORDJIC-QMMMGPOBSA-N 348.457 2.681 0 50 EFAA C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1-n1cccn1 170601228 AKZDJRXWSHXYFS-CYBMUJFWSA-N 328.416 2.752 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)n1 170994629 FVXSPLKBZMWCJM-ZDUSSCGKSA-N 349.460 2.583 0 50 EFAA C[C@@H](CC1CCC1)NS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 634654225 ASUFGVXSHBPZIB-LBPRGKRZSA-N 337.441 2.660 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCO[C@H](Cc3ccccc3)C2)c1 634690271 HQLAXEDQFRUHHX-MOPGFXCFSA-N 341.407 2.764 0 50 EFAA O=C(NC1(C(F)(F)F)CCC1)N1CCc2nc(C3CC3)ncc2C1 640070382 FWFOPHNVUWWHGM-UHFFFAOYSA-N 340.349 2.907 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3ccccc3o2)C1 190011184 WWWKULAHOABZFO-CHWSQXEVSA-N 327.340 2.726 0 50 EFAA COc1cc(SC)ccc1NC(=O)CNC(=O)c1ccc(F)cc1 193243485 POELCKFUAIUQKT-UHFFFAOYSA-N 348.399 2.925 0 50 EFAA O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1ccc2c(c1)CCO2 194903093 YVULFZCMACVJCK-UHFFFAOYSA-N 349.412 2.538 0 50 EFAA O[C@@H](c1ccccc1)c1nncn1Cc1nnc(-c2ccccc2)s1 195168679 BHYZTFXFRHVLEO-INIZCTEOSA-N 349.419 2.927 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CN2CC[C@H](C3CCN(C)CC3)C2)cn1 668169550 UCAVVZAJGMIWOZ-CMKODMSKSA-N 346.519 2.644 0 50 EFAA Cc1ccc(NC2(C(=O)N3C[C@@H](O)[C@H](F)C3)CCCCC2)cc1C 1506413284 INDWYPBKXAMHMB-IAGOWNOFSA-N 334.435 2.959 0 50 EFAA Cc1cc(C(N)=O)c(NC[C@H]2CCCN(Cc3ccco3)C2)nc1C 1704300330 UTWZDEMBGRBREC-OAHLLOKOSA-N 342.443 2.714 0 50 EFAA CO[C@@H]1CCC[C@@]12CCCN(Cc1cc(=O)n3cc(C)ccc3n1)C2 1704342813 QIYGZGFRCNXGTL-XLIONFOSSA-N 341.455 2.784 0 50 EFAA CNC(=O)C1(c2nc(-c3cc(Br)cs3)no2)CCC1 673930724 TWPLHXUFXYTYMT-UHFFFAOYSA-N 342.218 2.728 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@@H]2CC(=O)N(CCC)C2)o1 1772701887 CCCVWRHHZLFOKG-CYBMUJFWSA-N 344.415 2.948 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 5278218 QAJDJGIPOOXIMG-UHFFFAOYSA-N 337.788 2.619 0 50 EFAA COc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1N 11692971 HTWUMJRPYSJCLG-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA C[C@@H](CNC(=O)c1cn(Cc2ccccc2F)nn1)c1ccccc1 12111894 SGXHBHZXSHTJBV-AWEZNQCLSA-N 338.386 2.999 0 50 EFAA COC(=O)c1ccc(-c2nc(CN(C)[C@@H]3CCOC3)c(C)o2)cc1 12432912 SPMIPPMQGPQAGR-OAHLLOKOSA-N 330.384 2.657 0 50 EFAA CCc1nc(C)c(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)o1 14972591 XRAZEIJDPKQODV-HNNXBMFYSA-N 332.375 2.768 0 50 EFAA CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 15072869 DVVPGJTYJAZQFM-INIZCTEOSA-N 325.412 3.000 0 50 EFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 229823091 IDQBCULUVHLDSI-NWANDNLSSA-N 349.431 2.585 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)on1 328613518 SFQGCBGNDRNILQ-DGCLKSJQSA-N 348.403 2.908 0 50 EFAA Cc1noc(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1 333045555 FTWXTEYXBLBPET-UHFFFAOYSA-N 326.805 2.733 0 50 EFAA O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)N[C@H]1CCCc2ccc(F)cc21 241884846 SYHKGKOAMSMKBA-IEZWGBDMSA-N 348.418 2.840 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNCC1(c2ccccn2)CCC1 657464146 WDKUVIDQFKWJDO-QFBILLFUSA-N 340.471 2.994 0 50 EFAA Cn1ccnc(NC(=O)NCCCCc2ccc(Cl)s2)c1=O 252488828 IZWUKVZHYJODQB-UHFFFAOYSA-N 340.836 2.640 0 50 EFAA Cn1nc(-c2ccco2)cc1NC(=O)c1ccc(OCC(F)F)nc1 252492235 MGFWWMJGZXJRNN-UHFFFAOYSA-N 348.309 2.971 0 50 EFAA CCCC[C@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 253397223 REOPWPZZACOVEU-UONOGXRCSA-N 343.431 2.537 0 50 EFAA Cc1onc(-c2cccnc2)c1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 375727504 QJPLQNAYEURPJK-AWEZNQCLSA-N 337.383 2.788 0 50 EFAA C[C@@](O)(CNc1ccc2nc(N3CCOCC3)sc2c1)C(F)F 905302364 YYBCLGCCXSWETP-OAHLLOKOSA-N 343.399 2.561 0 50 EFAA Cc1nn(C)c(N2CCC2)c1NC(=O)c1cnn(C(C)C)c1Cl 913256117 PXKGAYHHGQCABX-UHFFFAOYSA-N 336.827 2.622 0 50 EFAA Cc1csc(C[C@@H]2CCCN(Cc3n[nH]c4c3COCC4)C2)n1 931748546 BEEJVEVJFVOATJ-ZDUSSCGKSA-N 332.473 2.702 0 50 EFAA CCc1nc(CN(C)C(=O)Nc2ccnc3cc(C)nn23)cs1 932436643 CBULTRPUVULJJZ-UHFFFAOYSA-N 330.417 2.721 0 50 EFAA OCCN1CCC[C@H]2[C@H]1CCN2Cc1csc(-c2cccs2)n1 934252772 PJTVMDODFSLLEY-LSDHHAIUSA-N 349.525 2.903 0 50 EFAA OC1(CNCc2ccccc2OCc2ccccc2)CCOCC1 238140973 UJDKJNROSQKOPQ-UHFFFAOYSA-N 327.424 2.897 0 50 EFAA COc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)c(OC)cc1C 4626103 NEXGNDCBHWHOGU-UHFFFAOYSA-N 347.396 2.689 0 50 EFAA C[C@@H](c1ccncc1)N(C)C(=O)c1csc(C[C@H]2CCNC2)n1 2325778960 XKNXRJGCMLHXMP-QWHCGFSZSA-N 330.457 2.523 0 50 EFAA Cc1ccc([C@](C)(CO)NC(=O)Cc2ccc(C(=O)O)cc2)cc1C 2325788429 FXNMWFHYOPGGDL-FQEVSTJZSA-N 341.407 2.568 0 50 EFAA CN1CC[C@H](CNC(=O)c2ccc(-n3ncc4ccccc43)cc2)C1 2325789810 OPDGEZCNKWTMJM-OAHLLOKOSA-N 334.423 2.707 0 50 EFAA CCc1ccc([C@H](O)CN(C)C[C@H]2CCc3nc(C)cn3C2)cc1 2325804092 UZNOKAGNCRQFSE-IEBWSBKVSA-N 327.472 2.982 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)c2ccc3c(n2)CCNC3)Cc2ccccc21 2325868635 DSRISZXXJFEPRA-PBHICJAKSA-N 335.451 2.966 0 50 EFAA C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ncccc1Cl 2325872251 ORXPMMNCTGSSPI-JTQLQIEISA-N 338.816 2.630 0 50 EFAA CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 44748 CBVXHYOXOKNSOI-ZDUSSCGKSA-N 341.386 2.883 0 50 EFAA COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 470757 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COc1cc(-c2nccn2CCn2nc(C)cc2C)cc(OC)c1O 67820093 MPTSIJGXYUWYPM-UHFFFAOYSA-N 342.399 2.786 0 50 EFAA Cc1c(C(=O)N[C@@H](C)C2CCOCC2)cnn1-c1ccc(F)cc1 136071056 OAVPUYRNIBUXQG-LBPRGKRZSA-N 331.391 2.865 0 50 EFAA CCOC(=O)Cn1c(=N)n(Cc2ccccc2F)c2ccccc21 20057939 KNGMPKXLJRYQNI-UHFFFAOYSA-N 327.359 2.673 0 50 EFAA CCn1c(-c2ccc3c(c2)OCCO3)nc2cc(C(=O)OC)cnc21 67459428 IWVNIEFULIDEAD-UHFFFAOYSA-N 339.351 2.676 0 50 EFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1csc(C(C)C)n1 65534783 CVNSIPXHPTWCAX-UHFFFAOYSA-N 348.472 2.558 0 50 EFAA C[C@@H](c1cccnc1)N1CCN(Cc2cccc3c2OCCO3)CC1 118835870 WMUUDDMVYYLBAQ-INIZCTEOSA-N 339.439 2.732 0 50 EFAA c1ccc(Cc2nc(CNCc3nc(-c4ccco4)no3)no2)cc1 65453020 MJFZLPFGTCOCJS-UHFFFAOYSA-N 337.339 2.593 0 50 EFAA COCc1cc(CNCc2cc(C3CCNCC3)no2)ccc1F 425892222 ARILJBYLSWTNLG-UHFFFAOYSA-N 333.407 2.717 0 50 EFAA O=C(O)C[C@H](C[P@@]1(=O)Oc2ccccc2-c2ccccc21)C(=O)O 34064806 XZAXQWXHBDKYJI-YDGUKXNOSA-N 346.275 2.825 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@H](C)c3ccsc3)CCO2)o1 328613378 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CO[C@@H]1CCCC[C@H]1NCc1nc(O)c2c3c(sc2n1)CCC3 361747934 PNLPGPRRYNNIAE-VXGBXAGGSA-N 333.457 2.933 0 50 EFAA CN(c1ccc(-c2csc(-c3cnn(C)c3)n2)cc1)S(C)(=O)=O 128109484 GMZGYWXGOQYEDH-UHFFFAOYSA-N 348.453 2.606 0 50 EFAA CO[C@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)CC1 364089314 HKNLHFDFTNAHQZ-ZDUSSCGKSA-N 335.354 2.792 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 238069575 SLJLONFWLUEFQI-ZDUSSCGKSA-N 334.759 2.613 0 50 EFAA NC[C@H]1CCC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCOCC1 238060907 HLCWRYANRWRHST-CJNGLKHVSA-N 336.863 2.632 0 50 EFAA Cc1cc(N2CC[C@@H](Sc3ncc(C(C)(C)C)o3)C2=O)n(C)n1 129923578 KMCZIRCIJKRNBI-LLVKDONJSA-N 334.445 2.912 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C(F)(F)F)n[nH]1 77453997 MFULPHPXZRSTDO-UHFFFAOYSA-N 349.316 2.886 0 50 EFAA COc1ccc(CCCC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 219299957 MBWUEHSYRHPMEZ-UHFFFAOYSA-N 344.455 2.631 0 50 EFAA CC(C)c1nc(Cn2cnc3sc4c(c3c2=O)CCNC4)cs1 77424912 JRNAOEUMZIAKSL-UHFFFAOYSA-N 346.481 2.732 0 50 EFAA Cc1cc(C)nc(C2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)n1 373512426 ACWOBHLKRQYNOS-GOSISDBHSA-N 339.439 2.923 0 50 EFAA O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(F)cc2cccnc12 263049922 RYTWLEXRMQISNP-GHJWDPDVSA-N 328.343 2.699 0 50 EFAA COc1ccc([C@@H]2[C@@H](CNC(=O)C3=COCCC3)CCCN2C)cc1 240871427 IKMDKRSFKXQZJF-VQIMIIECSA-N 344.455 2.889 0 50 EFAA CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc(=O)n(C)c1 1440147352 NJZBXTOXWUBQIA-LBPRGKRZSA-N 345.468 2.629 0 50 EFAA COc1cccc(S(=O)(=O)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 131810466 MHEWKWRHMMPZKR-CZUORRHYSA-N 339.457 2.506 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H](C2CCOCC2)C1 339083373 QGGOXNLFALRXGG-PMACEKPBSA-N 342.483 2.926 0 50 EFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 222502388 RZUNVMBBQCVVNN-WYUUTHIRSA-N 328.151 2.586 0 50 EFAA CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccnc1 177023920 BBRIMSJAOAUESS-QGZVFWFLSA-N 346.452 2.735 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C)nc2C)cc1 426517574 LIWGKTQMCZEXJB-AWEZNQCLSA-N 339.439 2.962 0 50 EFAA Cc1ccc([C@H](C)NC(=O)CN2CCC3(CC2)OCCCO3)cc1C 292886121 CMSPWYTXPUYREJ-KRWDZBQOSA-N 346.471 2.710 0 50 EFAA CSc1ncc(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)n1C 92096862 KEOOPLQBIDCXHG-UHFFFAOYSA-N 345.403 2.601 0 50 EFAA Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](O)c1ccccc1Cl 179637117 MDWHJSSSEDDPAD-QGZVFWFLSA-N 346.814 2.745 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2sccc2c1 91858701 LXYGQURVXXWRKK-INIZCTEOSA-N 336.416 2.954 0 50 EFAA Cc1cc(C)c2c(N3CCN(Cc4ncccc4C)CC3)ncnc2n1 95352637 MUYOLSGRMDHBRL-UHFFFAOYSA-N 348.454 2.667 0 50 EFAA C[C@H]1CCN(CC(=O)N(Cc2ccccc2)Cc2nccs2)C1=O 95524779 UDFPYQVQEVLAPM-AWEZNQCLSA-N 343.452 2.540 0 50 EFAA O=C(Cc1ccccc1O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95382216 BCGCCVPAURAQEE-SJLPKXTDSA-N 328.456 2.658 0 50 EFAA Nc1nc(CCCNC(=O)c2cc(-c3ccccc3F)n[nH]2)cs1 91965027 VDPCHVOKVLCYAB-UHFFFAOYSA-N 345.403 2.617 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 237996776 VOBZVBRKYWIUST-OAHLLOKOSA-N 346.770 2.647 0 50 EFAA COc1c(C)cnc(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)c1C 95368447 NVQNBHRUEFMHAH-QGZVFWFLSA-N 345.418 2.765 0 50 EFAA Cc1cc(N2CCN(C(=O)Nc3ccc(F)nc3)CC2)cc(C)n1 96163400 FUMNXQKDWIGFMC-UHFFFAOYSA-N 329.379 2.587 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)on1 95363667 ZGABEJMWZIPMPJ-IAGOWNOFSA-N 325.412 2.720 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(N2CCCCC2)cc1 244811486 SDQDRHCSLXELLJ-AWEZNQCLSA-N 327.432 2.779 0 50 EFAA Cn1cnc(-c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)n1 182607126 JRJCRQSIPMVOMJ-INIZCTEOSA-N 334.379 2.736 0 50 EFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2nc(C)cs2)c1C 252483502 FCSYGRAIHYAKML-LLVKDONJSA-N 348.472 2.777 0 50 EFAA O=C(c1cccc(-c2cncnc2)c1)N1CCN(Cc2ccco2)CC1 299765267 DMMRKGRMLCLEFT-UHFFFAOYSA-N 348.406 2.695 0 50 EFAA Cc1nnc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)s1 299774621 IGYJURVMHQIBCZ-UHFFFAOYSA-N 332.517 2.789 0 50 EFAA CCCCCCOC(=O)[C@@H]1CN1[C@H](Cc1ccccc1)C(=O)OC 822849632 ZYGMIKNTEYHYNG-LIHHCBPRSA-N 333.428 2.578 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCc2ccccc2-n2ccnc2)n1 670444052 NXRUGVGPMRWCFJ-UHFFFAOYSA-N 337.427 2.782 0 50 EFAA CN(Cc1ccc(F)cn1)Cc1nnc2n1CCC[C@H]2C(F)(F)F 952883950 QBLNLRLHBRYVPJ-GFCCVEGCSA-N 343.328 2.884 0 50 EFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3F)C2)o1 952891017 SBIMUCGNEYOWAZ-RISCZKNCSA-N 335.354 2.726 0 50 EFAA CCC[C@H]1CCCC[C@H]1NC(=O)Cc1nc(C2CCOCC2)n[nH]1 952993077 VSBKFUQFWWXTRY-DZGCQCFKSA-N 334.464 2.716 0 50 EFAA CCn1ncc(C(=O)N2CC[C@@H](CC(=O)O)c3ccccc32)c1C 1875291816 MKHCCAXZHBXNBE-ZDUSSCGKSA-N 327.384 2.820 0 50 EFAA Cn1cc(CN[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cn1 1875306895 FYHVZOHKOJMBHP-ZNMIVQPWSA-N 334.464 2.544 0 50 EFAA CC(C)[C@H]1N(S(C)(=O)=O)CC12CCN(Cc1ccccc1)CC2 1875340235 RDKORCALCMKLNR-QGZVFWFLSA-N 336.501 2.569 0 50 EFAA Cc1c(-c2nc(CN3CCCCC3=O)no2)nc(O)c2ccccc12 1875304537 NAUIAJOBDTWOJQ-UHFFFAOYSA-N 338.367 2.811 0 50 EFAA CC1CCC([C@@H](N)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 958528840 WNDFWHGAPKRIPZ-YMAMQOFZSA-N 326.481 2.902 0 50 EFAA Cc1nnc(N2CCC[C@H]2c2cncc(Br)c2)nc1C 895709477 PMOYPSFLNJBYLW-ZDUSSCGKSA-N 334.221 2.987 0 50 EFAA COC[C@](C)(NC(=O)N1CCC(c2ccncc2)CC1)C(F)(F)F 1775994594 AHQQLAYJKKFXNI-HNNXBMFYSA-N 345.365 2.938 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 408474458 YHLCNCDOTPSTJJ-NRGCRIOASA-N 346.471 2.779 0 50 EFAA Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@H](CC(C)C)C(=O)O)c1 408513501 MYSRGGFBBZWMSZ-CQSZACIVSA-N 346.427 2.599 0 50 EFAA O=C(c1cc2n(n1)CCC2)N1CCC(Oc2ccccc2F)CC1 633934876 YJQLTAJAEUXYEE-UHFFFAOYSA-N 329.375 2.652 0 50 EFAA CC[C@@H](NC(=O)c1cccc2c1OCC2(C)C)[C@@H](O)C(F)(F)F 279676989 HDYDWPLFHIAPPE-DGCLKSJQSA-N 331.334 2.788 0 50 EFAA Cc1nnc(CC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)o1 187693191 DHKDUSIERSOTSF-QMTHXVAHSA-N 335.791 2.563 0 50 EFAA O=C(NNc1cccc(F)c1)c1cn(-c2cccc(Cl)c2)nn1 188845730 JBBWTVJTGXZBJH-UHFFFAOYSA-N 331.738 2.817 0 50 EFAA CCN(Cc1cc(Br)ccc1F)[C@@H](C)c1nnnn1C 188965865 RIOYMVCDQHITQD-VIFPVBQESA-N 342.216 2.695 0 50 EFAA Cc1c(Br)cccc1CC(=O)N(C)c1nncs1 190293576 SKDSVPIIJGUMLG-UHFFFAOYSA-N 326.219 2.815 0 50 EFAA COC(C)(C)C[C@@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 190850547 HECJTHNXMIVYJY-OLZOCXBDSA-N 337.468 2.691 0 50 EFAA CC1=CCCN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)C1 644459748 JGPZMBRAHWLYFE-HXUWFJFHSA-N 328.456 2.582 0 50 EFAA CNC(=O)[C@H]1Cc2ccccc2N1Cc1nc(C(F)(F)F)cs1 647946055 JZKBZMWTELNZJJ-LLVKDONJSA-N 341.358 2.839 0 50 EFAA COCc1ccccc1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1 657298406 NYJUGVXTBXVZGN-QFBILLFUSA-N 329.444 2.824 0 50 EFAA Cc1nc2ncccn2c1C(=O)N1CCOc2ccc(Cl)cc2C1 1506431472 LNPUHBBRTKLIRE-UHFFFAOYSA-N 342.786 2.726 0 50 EFAA COc1ccccc1-n1cc(C(=O)Nc2cnn(C(C)C)c2)cn1 1529101836 OCFBIOMKKQEYRI-UHFFFAOYSA-N 325.372 2.911 0 50 EFAA CNCc1nnc(NCCC2CCN(Cc3ccccc3)CC2)o1 1772709650 LMGDQTLLHQLXRQ-UHFFFAOYSA-N 329.448 2.503 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 12301116 ZXAAFAZUSCUCNE-MRXNPFEDSA-N 334.464 2.747 0 50 EFAA CCOC(=O)c1nn(C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 19800284 CWLUNDZKIJAVOZ-UHFFFAOYSA-N 338.411 2.636 0 50 EFAA CNC(=O)Cc1nc(-c2scc3c2CCCC3)n(C(C)(C)C)n1 1857678163 UNYWPZISXZIWQR-UHFFFAOYSA-N 332.473 2.929 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)[C@]2(C)CC23CCNCC3)cc1 1857682927 RLJPMXMQGXNLSZ-IBGZPJMESA-N 338.455 2.577 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccn2nccc2c1 1857719146 FDLDJTDNSKSDIG-UHFFFAOYSA-N 349.369 2.931 0 50 EFAA C[C@H](O)C[C@@H]1CCCCCN1C(=O)COc1ccc(F)cc1F 241846596 SMDDNHTYCHBWFO-JSGCOSHPSA-N 327.371 2.886 0 50 EFAA COC(=O)CC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 252482863 DPHMBUHTTGCYIO-ZDUSSCGKSA-N 329.400 2.639 0 50 EFAA C[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)[C@@H]1CN 156695866 ZCOKKNGQHFPPPN-DNVCBOLYSA-N 339.439 2.860 0 50 EFAA Cc1noc([C@H](NC(=O)c2cc(F)ccc2F)C2CCOCC2)n1 376682522 UPOYLIBCIWWTFU-CQSZACIVSA-N 337.326 2.554 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1ccnn1C1CCCC1 262895892 LUNVUNKXYJTLOZ-HNNXBMFYSA-N 345.374 2.736 0 50 EFAA O=C(CN1CCC(Nc2ccc(F)cn2)CC1)Nc1ccccc1 266037289 UDVONXNSRVADCI-UHFFFAOYSA-N 328.391 2.736 0 50 EFAA Cc1ccsc1C(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704338199 NXFYQIWJPAWDBD-KRWDZBQOSA-N 328.441 2.549 0 50 EFAA CNC(=O)C1(c2nc(C3(c4cccc(F)c4)CCC3)no2)CCC1 924188309 GLZVHAODRLNPJO-UHFFFAOYSA-N 329.375 2.846 0 50 EFAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNCc3ccc4c(c3)CCCC4)C2)n[nH]1 828130360 FVIAJQARVJRBCX-IPMKNSEASA-N 340.471 2.636 0 50 EFAA CSc1ccc(OC[C@H](O)CN[C@@H](C)Cc2cccnc2)cc1 934230043 MDSPSSUBOIPRJB-GOEBONIOSA-N 332.469 2.764 0 50 EFAA CCc1ccc(OCCn2c(CCNC=O)nc3ccccc32)cc1 4809816 KKASKWLYUYOLRS-UHFFFAOYSA-N 337.423 2.966 0 50 EFAA O=C(NCCc1ccc(F)cc1)c1nc(-c2cccnc2Cl)no1 12428600 DNNKVQHFUDYHJL-UHFFFAOYSA-N 346.749 2.897 0 50 EFAA Cc1c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)oc2ccccc12 2325785963 WCMROBADKKDHGL-NUEKZKHPSA-N 339.395 2.507 0 50 EFAA CC1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1 2325842631 CTTYHSMHVHOXPI-NRXISQOPSA-N 346.475 2.690 0 50 EFAA CNCc1cn([C@@H](C(=O)N2CCC[C@@H]2CC(C)C)C(C)(C)C)nn1 2325868620 DFKZGFTWBZXVJB-CVEARBPZSA-N 335.496 2.622 0 50 EFAA Cc1occc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 133294 VGYDXDNTABXKJT-UHFFFAOYSA-N 336.394 2.854 0 50 EFAA Nc1ccc(-c2ccc(S(=O)(=O)c3cccc(N)c3)cc2N)cc1 334973 QSVALUVLFXVSNI-UHFFFAOYSA-N 339.420 2.933 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 428721 KJSZUZZXEVGUFT-UHFFFAOYSA-N 330.409 2.705 0 50 EFAA COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2OC)cc1 496503 LLIMOAONEMVHNF-UHFFFAOYSA-N 345.395 2.694 0 50 EFAA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O 524445 UESVDKVNQJSRAK-UHFFFAOYSA-N 338.363 2.897 0 50 EFAA O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 614009 KJXKWJDHFZPLLG-CYBMUJFWSA-N 327.311 2.597 0 50 EFAA CCOC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F 2244248 HBYHPBCAZBLFTD-UHFFFAOYSA-N 332.133 2.900 0 50 EFAA Cn1c(CN2CCS[C@@H]3CCCC[C@H]32)nc2ccccc2c1=O 246199551 WUMIMBNNQJQVMP-HZPDHXFCSA-N 329.469 2.794 0 50 EFAA COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 2891707 MGEBFDRIZCHRDF-LBPRGKRZSA-N 328.368 2.520 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2sc(C)nc2C)C1=O 2356170131 WHRAIKOWMRRIHE-KRWDZBQOSA-N 335.473 2.767 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1N1CCCC1=O 4785371 NVKAMNYGKODRKN-UHFFFAOYSA-N 336.457 2.605 0 50 EFAA O=C1N[C@H](c2cc3c(cc2Br)OCO3)Oc2ccccc21 4808606 YALDVGIGAZYQGH-HNNXBMFYSA-N 348.152 2.999 0 50 EFAA COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c(OC)c1 6700427 PWKRBBKGDFKAMA-VVUBSENTSA-N 333.384 2.779 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 7306024 XQEFOPYWEZMHKA-GFCCVEGCSA-N 330.409 2.785 0 50 EFAA CCOC(=O)c1cc(NC(=O)N[C@@H](C)c2cnn(C)c2)c(F)cc1C 225484802 BOLUBODJJMPECS-NSHDSACASA-N 348.378 2.927 0 50 EFAA CCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccn1 8714741 PUOGRFQWMSKKBX-UHFFFAOYSA-N 334.441 2.966 0 50 EFAA COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc(C)ccn2)CC1=O 9266268 ZASQQRROQNYROI-AWEZNQCLSA-N 339.395 2.699 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F 55565676 GMGYOVDKLJWTFL-UHFFFAOYSA-N 349.356 2.865 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1 247046751 VUVMODSGRGXDED-CLWVCHIJSA-N 336.432 2.642 0 50 EFAA OCCn1ccc(NCc2c(F)cc(Br)cc2F)n1 1365365496 MYKULKFHFUCHQY-UHFFFAOYSA-N 332.148 2.528 0 50 EFAA O=C(N=c1cc[nH]cc1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 345889930 YLLYFPOWVKPMEQ-OAHLLOKOSA-N 349.337 2.710 0 50 EFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 22920055 OSLUDAADFJBICF-FQEVSTJZSA-N 340.467 2.764 0 50 EFAA CCCN1CCC=C([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 67675861 GMNYWDIEZMAXRV-GOSISDBHSA-N 340.427 2.784 0 50 EFAA CCCc1[nH]ccc1C(=O)NC[C@@]1(COC)OCCc2ccccc21 421911310 QQHJBHOMXUUESN-FQEVSTJZSA-N 342.439 2.812 0 50 EFAA Cc1nc(C)c(CNCC(=O)NCCc2ccc(Cl)cc2)s1 65393857 GDEMZBQACQLDAD-UHFFFAOYSA-N 337.876 2.862 0 50 EFAA CC[C@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C 65528425 CWPCKQSPKKFFNH-KRWDZBQOSA-N 326.444 2.766 0 50 EFAA CC(C)[C@@H](C)n1nccc1NC(=O)C1CCN(c2ncccn2)CC1 63870308 FIEHKKAPNHBWRD-CQSZACIVSA-N 342.447 2.745 0 50 EFAA COc1ccc2c(c1)c(C(=O)N[C@@H](C)CCn1cccn1)c(C)n2C 65528131 PTCMKTAZECBYIQ-ZDUSSCGKSA-N 340.427 2.900 0 50 EFAA COc1c([C@H]2CCCN2C[C@@H](O)c2ccccc2F)c(C)nn1C 229510650 CKUYVZNSMBMVFV-HZPDHXFCSA-N 333.407 2.747 0 50 EFAA CN1CC[C@H](CNc2nccc3cc(C(F)(F)F)ccc23)CC1=O 425269506 SXFRBWHIHMFUCW-NSHDSACASA-N 337.345 3.534 0 50 EFAA Cc1cc(C)n(CC2(CNCc3nc(-c4ccco4)no3)CC2)n1 65458076 YOMQUKVGHNGDHI-UHFFFAOYSA-N 327.388 2.713 0 50 EFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)n1 331547930 IYMDFPDLCCPHFU-QRVBRYPASA-N 335.492 2.996 0 50 EFAA CN1CCC(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 67603803 GBVRKVZDKNWSPP-UHFFFAOYSA-N 349.906 2.762 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 281946027 HXLGVZPUJIKBOL-BRWVUGGUSA-N 335.419 2.919 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)[C@H](CO)c1ccc(F)cc1 253407615 FUAOPKRLRXHYFJ-QGZVFWFLSA-N 326.371 2.742 0 50 EFAA Cc1cc([C@@H]2CCCN([C@H]3CCN(c4ccccc4F)C3=O)C2)n[nH]1 257366251 PITLJRMKENTNRP-KDOFPFPSSA-N 342.418 2.842 0 50 EFAA C[C@H](NC(=O)CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)c1cccs1 339781348 XZFYWOQMQYXNED-RCBQFDQVSA-N 348.443 2.872 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)cc1 72168314 QOFMEQUFVGEZLA-MRXNPFEDSA-N 344.455 2.653 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1ccn2C 36369940 MVQGBHZKICIFPI-KRWDZBQOSA-N 336.391 2.692 0 50 EFAA biogenic Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@H](c3ccco3)C2)n[nH]1 377607541 KPFYLUGPFIPHOO-CYBMUJFWSA-N 339.399 2.650 0 50 EFAA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)O3)cn2)cc1 262289810 LAISZVGTTONNIJ-LSDHHAIUSA-N 342.351 2.753 0 50 EFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCn2cccn2)C1 77456961 LSZFTQFIBWYILZ-GOSISDBHSA-N 339.439 2.714 0 50 EFAA Cc1nn(CCO)cc1CN(C)Cc1csc(-c2ccccc2)n1 72174099 YOOUCGLWTXTEGZ-UHFFFAOYSA-N 342.468 2.939 0 50 EFAA CCOc1ccc(CN2CCN(C(=O)N3CC[C@@H](C)C3)CC2)cc1 336929425 ZXAQVWGTCWPYMY-MRXNPFEDSA-N 331.460 2.665 0 50 EFAA Cc1cccc(Cn2cnc(NC(=S)NCc3ccco3)n2)c1 13773063 UUBTXSHLBWBAGE-UHFFFAOYSA-N 327.413 2.714 0 50 EFAA Cc1ccc(O)c(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1 71764132 JTYWXCDEDXSCOD-QGZVFWFLSA-N 344.455 2.810 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)no1 82093084 NRMWCVOWKFMJQC-GFCCVEGCSA-N 347.802 2.987 0 50 EFAA Cn1cnnc1CC1CCN(Cc2nc3c(s2)CCCC3)CC1 82096762 SAEXNDNUDZWQGI-UHFFFAOYSA-N 331.489 2.605 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)s1 82098573 SYPCVWXVITXBMG-UHFFFAOYSA-N 342.420 2.748 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@@H]2C1 222967870 UEBHLFUVWWHMND-CVEARBPZSA-N 337.423 2.601 0 50 EFAA COCC[C@@H]1CCCCN1C(=O)NCCc1nc(C)c(C)s1 426538402 PQKYAVROYNPXHH-AWEZNQCLSA-N 325.478 2.903 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCCc3nc(C)cc(O)n3)CC2(C)C)cc1 426401601 CGOBMETWCMUDGN-HXUWFJFHSA-N 339.439 2.826 0 50 EFAA CN(C)c1ccc(CC(=O)NCC2(N3CCCC3)CCCC2)cc1 223468492 NUNNVGUNPLYQGQ-UHFFFAOYSA-N 329.488 2.820 0 50 EFAA Cc1cc(C(=O)NC[C@H]2COCCN(C)C2)c2ccc(Cl)cc2n1 426740394 HBDOMRVCQRGVAP-CYBMUJFWSA-N 347.846 2.505 0 50 EFAA CC(C)c1nc(C2CCN(c3nnnn3-c3ccccc3)CC2)no1 291787313 CXYNRMDFGBDXEL-UHFFFAOYSA-N 339.403 2.553 0 50 EFAA COc1ccccc1CCCNC(=O)N(C)[C@@H](C)c1ccncn1 426562817 DHHNCMWYECLXGS-AWEZNQCLSA-N 328.416 2.820 0 50 EFAA Cc1nc([C@H](C)NC(=O)N2CCC3(CC2)COC(=O)O3)c(C)s1 426372286 PPXMIQYJYJKEOG-VIFPVBQESA-N 339.417 2.532 0 50 EFAA O=C1CCN(C[C@H](O)COc2ccccc2F)c2ccc(F)cc2N1 178991831 DJGGACUBRSTPMH-ZDUSSCGKSA-N 348.349 2.553 0 50 EFAA CN1CCC(CNC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 237159586 ZUGIHCPIRPFPLF-ALOPSCKCSA-N 337.508 2.848 0 50 EFAA Cc1nccc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 91493637 KYFCEVUDSGSZCX-UHFFFAOYSA-N 328.460 2.937 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2csc(C(C)=O)c2)C[C@H]1c1ccc(C)o1 92097737 PPRFHFWAFKCAFU-HZPDHXFCSA-N 346.452 2.956 0 50 EFAA Cc1cccc(=O)n1CCC(=O)N1CCc2ccc(F)cc2[C@H]1C 97775881 XRWJOTPICJRURB-CQSZACIVSA-N 328.387 2.832 0 50 EFAA CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 95374994 COZCMPYSSSSNKP-SFHVURJKSA-N 326.440 2.794 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 91907633 RPLJJVRSANESHM-OAHLLOKOSA-N 334.464 2.751 0 50 EFAA Cc1ncc(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)s1 295147024 AMLBYBJQQZZDJL-UHFFFAOYSA-N 346.836 2.991 0 50 EFAA O=C(CCC(=O)N(Cc1cccnc1)C1CC1)N1CCCCCC1 244882892 YBCRSNLVOVSVFI-UHFFFAOYSA-N 329.444 2.755 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](n1c(=O)n3n(c1=O)[C@H]1C=C[C@H]3[C@H]3C=C[C@H]31)C2 248330723 GEFXETKAFDWQMQ-YCAVWGKSSA-N 339.439 2.667 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCCO2 252550397 SNLHEFCSYGHHHK-IIYDPXPESA-N 345.420 2.761 0 50 EFAA O=C(O)c1coc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 183787093 RLIBAKGSPQDRKD-INIZCTEOSA-N 347.342 2.703 0 50 EFAA Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 299686187 UZTJVERZDNGKOT-UHFFFAOYSA-N 337.445 2.889 0 50 EFAA Cc1cc(C)nc(-c2cccc(C(=O)N(C)CCn3ccnc3)c2)n1 299765364 FYOPDRDUOWEYHD-UHFFFAOYSA-N 335.411 2.729 0 50 EFAA O=C(O)CC[C@H]1CN(C2Cc3ccccc3C2)CC[C@H]1N1CCCC1 299779455 FSKNSQVYIUPYPG-AZUAARDMSA-N 342.483 2.805 0 50 EFAA Cc1nc(C)c(CC(=O)NCc2noc(-c3ccccc3)n2)s1 584890625 VOWMOMIAQYBBFK-UHFFFAOYSA-N 328.397 2.669 0 50 EFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)c2nc(N)sc2c1 584902332 CLZOTRYNZPVUJP-ITGUQSILSA-N 331.441 2.969 0 50 EFAA Cc1nc([C@H]2CCC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1 670474203 LVKFHENMIPVGRO-NSHDSACASA-N 330.354 2.797 0 50 EFAA Cc1cc([C@](C)(O)CNC2CCN(Cc3cccnc3)CC2)c(C)o1 164178508 RWNDGVRBAGNOEI-HXUWFJFHSA-N 343.471 2.753 0 50 EFAA Cc1nc(-c2cnn(C)c2)oc1C(=O)N(CC1CC1)c1cccnc1 1875262221 GKVPXPOQIXVRRJ-UHFFFAOYSA-N 337.383 2.835 0 50 EFAA COc1ccc2sc(NC(=O)[C@@H]3CCc4c[nH]nc4C3)nc2c1 1875274480 BSFJTEONDSDZLA-SECBINFHSA-N 328.397 2.772 0 50 EFAA OC[C@]1(CNc2nc(-c3ccccn3)nc3sccc23)CCOC1 1875288153 PINYAUJGIANAGI-QGZVFWFLSA-N 342.424 2.564 0 50 EFAA O=C(c1ccccc1)N1CC[C@@H](c2nnc(C3CCOCC3)o2)C1 1875279276 KXXQSTJMWQFEAD-OAHLLOKOSA-N 327.384 2.593 0 50 EFAA O=C(N[C@H]1[C@H]2CC[C@@H]1C[C@H](CO)C2)c1c(C2CC2)nn2ccccc12 1875321323 DLHUXNOJENFWQW-QTRPTCPSSA-N 339.439 2.739 0 50 EFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)Cc1c(C)noc1C 952988384 NYAACWLRGCSXEC-UHFFFAOYSA-N 338.367 2.944 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCC(N(C)C[C@@H](C)O)CC2)c(C)c1 892461327 AIUVLIIUJAALHW-QGZVFWFLSA-N 347.503 2.598 0 50 EFAA CCNc1nccnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 896932067 PWIPBZWBUOGCMY-UGSOOPFHSA-N 340.431 2.727 0 50 EFAA Cc1ccncc1CNC(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 895186078 GSXSHHXYEQMDPS-MOPGFXCFSA-N 338.455 2.535 0 50 EFAA O=C(NC[C@@]12CCC[C@H]1OCC2)c1cc(F)ccc1-n1ccnc1 1776007602 ONJRHLOCZROESE-AEFFLSMTSA-N 329.375 2.700 0 50 EFAA Oc1ncc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c2ccccc12 1364335672 XZFQOVYJALZDLG-UONOGXRCSA-N 326.318 2.828 0 50 EFAA Cc1cnccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 186341133 FIBQGKIQKYGFMU-IBGZPJMESA-N 338.455 2.854 0 50 EFAA O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@H](c2nccs2)C1 186810289 MATRPTLZGQJDDK-LBPRGKRZSA-N 346.437 2.808 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1C[C@@H]1c1cccc(O)c1 170003440 DTBSVQXPPYPUNP-MSOLQXFVSA-N 333.391 2.998 0 50 EFAA COC(=O)[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)c1c(C)cccc1C 170597949 IMIVTCNQOKOILQ-NVXWUHKLSA-N 343.427 2.708 0 50 EFAA Cn1c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc(Cl)c1Cl 170631572 DAHOEPGKTXIGRW-UHFFFAOYSA-N 348.230 2.681 0 50 EFAA CC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 170620804 IHSYXTVPAOGFDN-QGZVFWFLSA-N 330.428 2.953 0 50 EFAA COc1cc(N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1F 187737969 PDXURCYKABZERA-NSHDSACASA-N 343.358 2.620 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC1CCN(C(=O)OCC(C)C)CC1 195551361 WALCMFACALWSTD-HNNXBMFYSA-N 349.479 2.522 0 50 EFAA Cc1nnc(SCC(=O)N(C)Cc2cc(-c3ccccc3)no2)o1 1506419326 OJMGFFCYHCCCOU-UHFFFAOYSA-N 344.396 2.784 0 50 EFAA COc1ccccc1Cc1nc(-c2cc(C)on2)n([C@@H]2CCOC2)n1 1772808992 HZXKDIZIDQYOFE-CQSZACIVSA-N 340.383 2.802 0 50 EFAA CCOc1ccc(C(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1 1775984034 GUDUATGJDCJRFO-MRXNPFEDSA-N 334.485 2.739 0 50 EFAA C[C@H](CCn1cccn1)N1CCCN(C(=O)Cc2cccs2)CC1 1775982695 XGTCWXGSEFGIFS-MRXNPFEDSA-N 346.500 2.500 0 50 EFAA CCOc1cc(C(=O)C2CCOCC2)ccc1OCCn1ccnc1 1772810545 JNVKORJWTWAECO-UHFFFAOYSA-N 344.411 2.970 0 50 EFAA COC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O 5700599 WBTBPKIFYAMOBF-UHFFFAOYSA-N 338.319 2.517 0 50 EFAA O=C(NCCc1ccccc1)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12206501 ASDNRLKEWULSNY-SFHVURJKSA-N 326.371 2.872 0 50 EFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C1 13745589 MNRKUXLKWOHMEK-ZDUSSCGKSA-N 336.457 2.846 0 50 EFAA CC[C@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 15000505 UPTUTZCZHRYNGE-XJKSGUPXSA-N 325.412 3.000 0 50 EFAA Cc1cccc(CN2CCC(C(=O)NCCCn3ccnc3)CC2)c1 16606660 SILPAPCPDGBXEC-UHFFFAOYSA-N 340.471 2.610 0 50 EFAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 16731642 JGDINQIENAQHSO-AWEZNQCLSA-N 346.452 2.703 0 50 EFAA Cc1cccnc1C=Cc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 1857533050 UBIIMPTYNAKKIA-YOEHRIQHSA-N 337.383 2.918 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2sc(C(C)C)nc2C)CC[C@H]1O 1857736160 YCSRWZSYUPGRBC-DYVFJYSZSA-N 340.489 2.561 0 50 EFAA C[S@](=O)c1cccc(NC(=O)CSC[C@@H]2CCCCO2)c1 110932328 CWVMRDYNBYRPCI-YEJXKQKISA-N 327.471 2.665 0 50 EFAA CC[C@@]1(C)CN(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)CCO1 225503388 VXICUNLTWBQDFW-YJBOKZPZSA-N 345.447 2.637 0 50 EFAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]32)ccc1F 230133072 VLXOYQCSCCQKMZ-BLLLJJGKSA-N 340.420 2.737 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(C3CC3)c(F)c2)cc1S(N)(=O)=O 240626784 HJCUVJOQVHNULW-UHFFFAOYSA-N 348.399 2.911 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(CO)c1 242197011 XGYIUWYMPRDAKO-CQSZACIVSA-N 348.805 2.980 0 50 EFAA CN1CC[C@@H](Nc2ncnc3c2cnn3C)[C@H]1c1ccc(Cl)cc1 132511233 AJRRSKGGNFXEFR-HUUCEWRRSA-N 342.834 2.874 0 50 EFAA Cc1cccc([C@H]2CCCN2C(=O)COCc2nccn2C)c1C 669118188 UGPQOPUFFUWRJI-QGZVFWFLSA-N 327.428 2.917 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1ccccc1 374100765 GLZNEMQINOYYAK-LSDHHAIUSA-N 346.814 2.707 0 50 EFAA Cc1c[nH]nc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 375066224 SJWIIEJDPMXUHH-RDTXWAMCSA-N 327.432 2.607 0 50 EFAA Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H](CCC(=O)O)C1 263050344 DIZIWWMXEZWGHK-DLBZAZTESA-N 346.471 2.619 0 50 EFAA NS(=O)(=O)c1cc(CNCc2cccc3[nH]ccc23)ccc1Cl 1663126752 DWGYBPJZFVYQJT-UHFFFAOYSA-N 349.843 2.759 0 50 EFAA C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)COCC(=O)O 902518001 YOQHJRLXBIMQRH-OAHLLOKOSA-N 345.317 2.644 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)NCC[C@@H]2CCOC2)n1 935358704 MBOHEOGBDLVHSC-SNVBAGLBSA-N 342.237 2.519 0 50 EFAA Cc1nn(Cc2csc(Cl)n2)c(C)c1[C@H]1COCCN1C 852964073 LXLKOJHVRLYTAF-GFCCVEGCSA-N 326.853 2.661 0 50 EFAA O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CCCn2ncnc21 1136284008 WVPGEMAIWSJMOP-QGZVFWFLSA-N 349.394 2.768 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(F)ccc1F 858008089 IOFNMPPPGXNYPK-XHDPSFHLSA-N 335.354 2.596 0 50 EFAA O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)C(F)(F)F 52747 BOCDRQDDEPQHIV-JTQLQIEISA-N 326.196 2.702 0 50 EFAA CCc1c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)nnn1CC 2325737314 HSARNEXWQTZSFY-UHFFFAOYSA-N 338.415 2.915 0 50 EFAA Cc1cc(C)c([C@H](CO)NC(=O)[C@H]2CNCc3ccccc32)c(C)c1 2325769023 AFBIINFNBHBADL-OALUTQOASA-N 338.451 2.648 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)Cn1cc(CNC(C)(C)C)nn1 2325770985 HBPWBUDGOJOFDI-UHFFFAOYSA-N 325.416 2.839 0 50 EFAA O=C(CNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)NC1CCC1 2325782029 PSMRIMLTEBVZAK-UHFFFAOYSA-N 339.317 2.585 0 50 EFAA COc1ccc(Cl)cc1CN1C[C@H](CC(=O)O)OCC1(C)C 2325788256 VJZSDSKOPDBYAC-ZDUSSCGKSA-N 327.808 2.803 0 50 EFAA CC(C)c1nc(=O)n(C2CCN([C@H]3CCCc4cccnc43)CC2)[nH]1 2325790804 MIBQAGAOOMLKDI-INIZCTEOSA-N 341.459 2.804 0 50 EFAA CC1(C)Cc2n[nH]cc2CN(C(=O)C[C@@H]2CCC(F)(F)CO2)C1 2325792720 HUGDXFBGURTLNR-LBPRGKRZSA-N 327.375 2.525 0 50 EFAA Cc1cc(C)n(Cc2cccc(CNC[C@@H]3OCCOC3(C)C)c2)n1 2325810937 RLGNXOJAQFPIGM-IBGZPJMESA-N 343.471 2.832 0 50 EFAA COc1ncccc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 110619626 VDYFGYFKLJHHTM-CJNGLKHVSA-N 345.468 2.965 0 50 EFAA CC1=NN(C(=O)COc2ccc(C)c(C)c2)[C@](O)(C(F)(F)F)C1 286180 DUVMXJLYXDXVEW-CQSZACIVSA-N 330.306 2.541 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 309774 VIYKYWUXWQBAPZ-CYBMUJFWSA-N 344.411 2.593 0 50 EFAA NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCc1ccccc1-2 1056421 HXCYKGAIZGNVGK-ZDUSSCGKSA-N 342.420 2.730 0 50 EFAA CN1CCC[C@]2(CCCN2Cc2coc(-c3ccccc3)n2)C1=O 2356163802 RNNMUVOJDWLSON-IBGZPJMESA-N 325.412 2.928 0 50 EFAA Fc1ccc2nc(CN3CCC[C@H](N4CCOCC4)C3)ccc2c1 22851692 XMJORVCLWKQPKN-SFHVURJKSA-N 329.419 2.671 0 50 EFAA Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 4731710 WPNLVTKMYSEMRY-LBPRGKRZSA-N 344.440 2.962 0 50 EFAA COc1cc(S(=O)(=O)n2cnc3ccccc32)c(OC)cc1C 4745070 NWJSVBBAQTVCBF-UHFFFAOYSA-N 332.381 2.599 0 50 EFAA COc1ccc(-c2noc(CNC(=O)c3ccc(F)cc3)n2)cc1 4840369 JOHUJOHJNWSTQV-UHFFFAOYSA-N 327.315 2.814 0 50 EFAA Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 7987249 RROHRIHMSGBZJD-SSDOTTSWSA-N 333.413 2.829 0 50 EFAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C(F)F)CC2)C1 225401263 OWSKAFCGMPVZFQ-LBPRGKRZSA-N 330.419 2.775 0 50 EFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)C1CCN(CC(F)F)CC1 281355542 VTWLZKIYEPEQON-CJNGLKHVSA-N 340.414 2.592 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)C12CCC2 247774977 WQTITXMXYDULGO-LUYZLQTOSA-N 336.432 2.739 0 50 EFAA C[C@H](Cn1cccn1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 248012708 RVQUQJONMHFACL-BYCMXARLSA-N 348.244 2.954 0 50 EFAA CC(C)(C)Cc1n[nH]c2c1CN(C(=O)c1cc3ccccn3n1)CC2 23430725 VURYHGKQSMROMG-UHFFFAOYSA-N 337.427 2.845 0 50 EFAA 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Cc1cc(C)n(CCCC(=O)NCC[C@H]2COc3ccccc3O2)n1 219123148 GQMBBHMANFZTSS-INIZCTEOSA-N 343.427 2.626 0 50 EFAA Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@](C)(C(=O)O)C3)c2)cs1 261754704 PIGOCLVPHHLLPS-MRXNPFEDSA-N 333.413 2.774 0 50 EFAA CCCc1ncncc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 72432417 CYOPDYOCNUKKOF-UHFFFAOYSA-N 342.418 2.526 0 50 EFAA COC1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)CC1 215250534 NOKASXJJUZBRAN-UHFFFAOYSA-N 334.460 2.591 0 50 EFAA O=C(Cc1cc(F)ccc1F)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 372262487 RCLPVYYBMVALKQ-IBGZPJMESA-N 342.345 2.630 0 50 EFAA Cc1cc(CCNC(=O)NCC2(CF)CCOCC2)cc(C)c1O 458691875 PHLOBKJHHDAVDP-UHFFFAOYSA-N 338.423 2.617 0 50 EFAA COCc1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 72164424 FXFXOSVRYVTFLX-CYBMUJFWSA-N 331.351 2.569 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)c2ncsc2C(F)(F)F)ccn1 338799037 DCUVNSXNDMJNHQ-UHFFFAOYSA-N 344.318 2.511 0 50 EFAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccccc3)nn2)nc1 72434127 GALAHOTXCIJGBT-UHFFFAOYSA-N 348.410 2.766 0 50 EFAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](N(C)C)CC2)c1 72157362 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O=C(O)C1CC2(C1)C[C@H](NCc1cccc(Cl)c1F)CCO2 1774205213 ZJMBGUFCKDZFMQ-BWBHSNQOSA-N 327.783 2.981 0 50 EFAA O=C(Cc1ccccc1F)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1319229218 HXTRLSIKBRRFTI-UHFFFAOYSA-N 339.326 2.891 0 50 EFAA CN(CCc1cnccn1)C(=O)NCc1cccc(C(F)(F)F)c1 271321317 DLWWNYZMEMRUJC-UHFFFAOYSA-N 338.333 2.880 0 50 EFAA O=C(c1csc(CO)n1)N1CCC(c2ccc(F)c(F)c2)CC1 630929706 UTFXYQWUSFUPIB-UHFFFAOYSA-N 338.379 2.933 0 50 EFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccco1 275418558 DMQOXNCEMFCCHN-STQMWFEESA-N 337.420 2.729 0 50 EFAA CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)Cc2cccnc2)C3)n1 275959974 HAGNSRDFGBKWPR-DNVCBOLYSA-N 340.427 2.711 0 50 EFAA Cn1ccnc1CN1CCO[C@@H](c2ccccc2Br)C1 408512814 WFIFCRHTLWQGAM-CQSZACIVSA-N 336.233 2.756 0 50 EFAA Cc1ccc(NC(=O)c2cccnc2OCC(F)(F)F)c(O)n1 170594679 OILGZHYFTWCJJV-UHFFFAOYSA-N 327.262 2.684 0 50 EFAA Cc1ccc(C(=O)Nc2cn(C)cc(Br)c2=O)c(F)c1 170593755 VCEPWGQTHCKVBR-UHFFFAOYSA-N 339.164 2.848 0 50 EFAA COc1cccc(CNc2ccc(N3CCOCC3)nc2)c1OC 170624766 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342.487 2.858 0 50 EFAA CC(C)(C)c1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704338806 ZTOCWGRADSMFSG-VQIMIIECSA-N 325.456 2.810 0 50 EFAA COc1nccc(I)c1NC(=O)C(C)(C)C 34345652 WLRFICVEMCFVMF-UHFFFAOYSA-N 334.157 2.679 0 50 EFAA in-vitro CCOc1ccc2nc(CN3C[C@H]4CCCN4C(=O)[C@H]3C)ccc2c1 1772702456 WBWTYMZURTWXHL-RHSMWYFYSA-N 339.439 2.829 0 50 EFAA COc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 5617961 KZXXLCYHMXQMCP-LFIBNONCSA-N 349.415 2.683 0 50 EFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cc[nH]n2)CC1 11936556 QJIBGJBSQSKBAV-UHFFFAOYSA-N 345.418 2.937 0 50 EFAA Cn1c(CNC(=O)CC2CCCC2)nnc1SCc1ccccn1 12217962 KTQUYWKOBCOEQY-UHFFFAOYSA-N 345.472 2.699 0 50 EFAA CC(C)c1nnc2n1CCN(Cc1cccn1-c1cccnc1)CC2 15068593 BOCFXPDZKDBYST-UHFFFAOYSA-N 336.443 2.646 0 50 EFAA CCOc1ccc(NC(=O)[C@H](CC)n2c(C)cc(C)nc2=O)cc1 16648022 DHNZGXRVODBIEM-INIZCTEOSA-N 329.400 2.849 0 50 EFAA Cc1csc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(=O)n12 16649051 OFIVBVDXKLRMEI-GFCCVEGCSA-N 341.436 2.816 0 50 EFAA O=C(Cc1cccnc1)N1CCO[C@@H](Cc2ccccc2Cl)C1 19867079 YCYOPMLODRWQSR-INIZCTEOSA-N 330.815 2.748 0 50 EFAA COC(=O)C[C@@H](CC(C)C)c1c(O)n2cc(Cl)ccc2nc1=O 206050223 UNVQMIXKAJDIJU-SNVBAGLBSA-N 338.791 2.746 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 119120437 SWUCDKMLLILUFH-CYBMUJFWSA-N 337.383 2.788 0 50 EFAA C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)CCc1cnn(C)c1 328592361 DCGXIDJEJLVLQX-AWEZNQCLSA-N 346.862 2.743 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)on1 236898342 UBXAWDVLZYVGOX-ABAIWWIYSA-N 328.368 2.840 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CCCc2csc3ccccc23)CCO1 238122930 GNYQSIVWIVTCRX-CQSZACIVSA-N 333.409 2.536 0 50 EFAA O=C(O)C1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 238101866 OFOMREXJCVQOCX-UHFFFAOYSA-N 329.755 2.571 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CC(C)(C)c1ccccc1 247966185 XECHEMHICMOAMM-AEFFLSMTSA-N 328.456 2.824 0 50 EFAA Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@H]2CCO[C@H]2C2CC2)c1 365821372 QFXJZFXLWUCHOH-YOEHRIQHSA-N 341.415 2.573 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N1CCNC[C@H]1c1cccnc1 261883471 YWQYQHBHZXIMMI-INIZCTEOSA-N 333.794 2.590 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(C)n2C)C(=O)O)cc1Cl 263042863 NKXWSYKAKWIFLI-AWEZNQCLSA-N 336.775 2.551 0 50 EFAA C[C@@H]1C[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CC[C@@H]1C(=O)O 902110679 JARJOWHSTAAWDR-BGTYHANMSA-N 344.455 2.829 0 50 EFAA COCc1cccc(-c2noc([C@H]3NCCOc4ccccc43)n2)c1 904563400 JCFTWLKBWWHRHE-KRWDZBQOSA-N 337.379 2.954 0 50 EFAA CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(F)c3occc23)no1 931496927 YAFMIMIANOEASX-UHFFFAOYSA-N 346.362 2.682 0 50 EFAA O=C1CCC(=O)N1c1ccc(-c2ccc(N3C(=O)CCC3=O)cc2)cc1 64607 WAWOHUZBXXTKSM-UHFFFAOYSA-N 348.358 2.660 0 50 EFAA CCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 4751184 DOYJOSZDEZMQFM-UHFFFAOYSA-N 340.489 2.673 0 50 EFAA C[C@]1(O)N(CC(=O)Nc2ccc(F)cc2)C(=O)OC12CCCCC2 4771130 IWEMXSSJJABUPS-MRXNPFEDSA-N 336.363 2.628 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](N(C)Cc3ccccc3)C2=O)cc1 17730139 FGWFOXWRPRARCN-GOSISDBHSA-N 338.407 2.849 0 50 EFAA O=C(N[C@@H]1CCC12CCC2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 2325783206 CQBRICRNEIYSPU-CHWSQXEVSA-N 334.851 2.795 0 50 EFAA Cc1c(C(=O)N2CCCc3c(CN)cccc32)sc2nccn12 2325795316 YDBAROJZIHXAAS-UHFFFAOYSA-N 326.425 2.756 0 50 EFAA COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC 456589 OQKYWFIMGUGVGA-UHFFFAOYSA-N 328.368 2.939 0 50 EFAA Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 469798 ICXLBFRSWMJYFC-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F 1755465 FKVVBWJUSCOTKI-UHFFFAOYSA-N 325.343 2.604 0 50 EFAA CCN(CC)C(=O)c1cccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)c1 2356160562 YGPTUOUYZXMIIJ-UHFFFAOYSA-N 325.372 2.626 0 50 EFAA Cc1ccc2cc(CN3CCc4nc(C5CC5)nn4CC3)c(O)nc2c1 2356169459 BXCPNRDQLJQNAL-UHFFFAOYSA-N 349.438 2.776 0 50 EFAA COc1cccc([C@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 4317952 ZTMPSYJTWZSYQU-CQSZACIVSA-N 336.438 2.867 0 50 EFAA CC(C)NC(=O)CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246650561 KCXLFKHAGBYADA-CABCVRRESA-N 344.377 2.728 0 50 EFAA CCc1ccc(OCCN(C)C(=O)Cc2cnc3ccccn23)cc1 55269706 XWKUVGRJMVLZFH-UHFFFAOYSA-N 337.423 2.977 0 50 EFAA CC(C)(C)OC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)C(=O)O 8700614 BPRVMYAOSPCFJE-GHMZBOCLSA-N 349.305 2.717 0 50 EFAA Cc1ccc2c(CC(=O)NCC3(C(=O)N(C)C)CCCC3)c[nH]c2c1 113114819 XCWBKZJJOLBBOK-UHFFFAOYSA-N 341.455 2.784 0 50 EFAA Cc1nc2c(N[C@H](CCn3cncn3)c3ccccc3)ncnc2o1 55307062 CSYZJHIDENRKBK-CQSZACIVSA-N 335.371 2.761 0 50 EFAA COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C)CC2)C1=O 20271529 HMDBKWUIBHBEQE-CQSZACIVSA-N 336.819 2.712 0 50 EFAA COC(=O)c1ccc(N2CCN(c3nc(C)nc(C)c3C)CC2)cc1 77422339 RADNMBGBQXQKAK-UHFFFAOYSA-N 340.427 2.515 0 50 EFAA COc1cccc2c1ccn2CC(=O)NCc1ccc(C(=O)O)cc1 40287823 PJCBHUVTFNAJDL-UHFFFAOYSA-N 338.363 2.665 0 50 EFAA Cc1ccc([C@H]2CN(Cc3nccn3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72454338 RMGUYRLXOIJRGC-HMXCVIKNSA-N 336.483 2.791 0 50 EFAA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1c(C)nn(C)c1Cl 65370919 MYXWEWGLSNLROA-GFCCVEGCSA-N 332.791 2.814 0 50 EFAA CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1 229206863 WTCOPSHHLNZLSM-MOPGFXCFSA-N 344.455 2.791 0 50 EFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCOCC1 223677889 POXWQIQTXBJYBJ-KVWWFHCMSA-N 340.423 2.590 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1 151492297 LIZYUYYWTUYRCA-CJNGLKHVSA-N 345.447 2.947 0 50 EFAA Cn1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Cl)cc2)cn1 229559137 SUGCGJODWKPJFM-WBVHZDCISA-N 335.835 2.650 0 50 EFAA COC(C)(C)C(=O)NCc1cccnc1N(C)Cc1ccccc1 67885458 CVUZWZWORFWZIX-UHFFFAOYSA-N 327.428 2.759 0 50 EFAA Cc1ncc2c(c1CNC(=O)CCCOc1ccccc1)CCNC2 72411822 HJLDXOJAOCIDAX-UHFFFAOYSA-N 339.439 2.511 0 50 EFAA Cc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)cc1Cl 72480509 ILYTURQVNXTCHA-UHFFFAOYSA-N 329.831 2.928 0 50 EFAA C[C@H](O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 282404910 QMKGGECZKVOWMU-XQCUEUFKSA-N 341.810 2.786 0 50 EFAA COCc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 282543309 NFKHACFHOJUYMQ-ROUUACIJSA-N 329.371 2.920 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1 77393919 WHQZHWMHUDTAPO-KRWDZBQOSA-N 341.411 2.820 0 50 EFAA Cc1cc(NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)cn(C)c1=O 489211854 ZJHHXTYQHRNHMW-UHFFFAOYSA-N 334.379 2.507 0 50 EFAA C[C@@H](C1CCN(C(=O)CCc2ccccc2F)CC1)N1CCOCC1 72428051 FOLLQZGQOQAGMD-INIZCTEOSA-N 348.462 2.718 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 157323770 OBRJLYVVIYFGBQ-CYBMUJFWSA-N 348.422 2.545 0 50 EFAA O=C(CCC1CCCC1)NCC(=O)N1CCC(c2ccccn2)CC1 378258524 GCZGDYUZGFOSIZ-UHFFFAOYSA-N 343.471 2.874 0 50 EFAA Cc1ncsc1CCn1ccnc1-c1cnc(N2CCCC2)nc1 71404205 MYCOBRBPBCHIRC-UHFFFAOYSA-N 340.456 2.948 0 50 EFAA CCSc1ncc(CN2CCN(c3ncccc3Cl)CC2)cn1 216041772 FNMKHLMOUFUJJY-UHFFFAOYSA-N 349.891 2.959 0 50 EFAA Cc1cc(C)n(-c2ccc(N3C[C@@H]4CN5CCCC[C@@H]5[C@H]4C3)nc2)n1 239667612 BQTIUAIPCLBOAS-YTQUADARSA-N 337.471 2.805 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(Cl)c2ccccc12 239761358 CJQBJOLYHMJRIA-HNHYXYPQSA-N 346.814 2.703 0 50 EFAA CO[C@@]1(C)CCCN(C(=O)c2cnc3nc(C)ccc3c2O)CC1 375634465 IYTZQWYEMNEDSF-SFHVURJKSA-N 329.400 2.675 0 50 EFAA Fc1cccc(F)c1CC[C@@H]1CCCN(CCCn2cnnn2)C1 72141826 YFRJSYOTPXPKNG-AWEZNQCLSA-N 335.402 2.686 0 50 EFAA COc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)O)cs1 237349687 LGGLQCBDUXQCOT-GFCCVEGCSA-N 332.381 2.508 0 50 EFAA CC[C@@H](NC(=O)c1cnn(C(C)C)c1)c1ccc(S(C)(=O)=O)cc1 77537400 XTEFBWJMVXCSRT-MRXNPFEDSA-N 349.456 2.749 0 50 EFAA CCOc1ncccc1-c1nc(CN(C)C(=O)OC(C)(C)C)no1 495895493 UNVOUBHUBKKLOP-UHFFFAOYSA-N 334.376 2.897 0 50 EFAA O=C(c1sccc1-n1ccnn1)N1CCOC2(CCCCCC2)C1 333972925 XMJYYHVATJGRMM-UHFFFAOYSA-N 346.456 2.894 0 50 EFAA CCc1noc(C)c1CNC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 334095811 RSOICNKFKKEJCG-DOTOQJQBSA-N 335.448 2.628 0 50 EFAA CCCOC(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1 77458331 AEPNLAVUWMRKBC-UHFFFAOYSA-N 349.479 2.620 0 50 EFAA CC1(C)CC(C)(C)c2cc(NC(=O)NC[C@](C)(O)C(=O)O)ccc21 263067081 PICNBAFKIZFVJD-SFHVURJKSA-N 334.416 2.603 0 50 EFAA Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCC(F)(F)C3)C2)nn1 241897268 TXDGGGXLMWULPO-KGLIPLIRSA-N 338.402 2.696 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)NCCc1ccc(C(=O)O)cc1 238083136 DFUGNRIQJLGITA-SFHVURJKSA-N 339.391 2.748 0 50 EFAA CN1C(=O)[C@@](CC(=O)NCCF)(Cc2ccccc2)c2ccccc21 71761992 FOBKAQRHKROMPZ-HXUWFJFHSA-N 340.398 2.619 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)C(F)(F)C(F)F)C1 176332700 LGHFTIFJNRGOOI-SNVBAGLBSA-N 334.313 2.538 0 50 EFAA O=C1OC2(CCCC2)C(=O)N1Cc1ccn(-c2ccccc2F)n1 289879900 RTJAPRHEHBESEB-UHFFFAOYSA-N 329.331 2.803 0 50 EFAA CCN(CC)CCN1CNC(=S)N(c2cccc(Cl)c2)C1 20189365 PPDJRVZSXFJRAN-UHFFFAOYSA-N 326.897 2.593 0 50 EFAA O=C(C1CCOCC1)N(Cc1ccncc1)C[C@@H](O)c1ccccc1 97546474 SAZXWCHMUZEUOC-LJQANCHMSA-N 340.423 2.570 0 50 EFAA CSc1nccc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1 91452549 AWSOSWFXRCHHFK-UHFFFAOYSA-N 332.473 2.570 0 50 EFAA COc1ccc(C(C)(C)C(=O)N[C@H]2COc3ccccc3C2=O)cc1 181573202 MMTBNYCFSTUCHB-INIZCTEOSA-N 339.391 2.733 0 50 EFAA CNc1ccccc1C(=O)N1CCC(c2nncn2C2CC2)CC1 293609021 CVHSWJMUHMBDOJ-UHFFFAOYSA-N 325.416 2.675 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 96133760 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COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C(C)(C)Oc1cccc(C)c1C 223875813 ZCRKQCTWQWCKGS-IDCNUPLLSA-N 347.455 2.627 0 50 EFAA Cc1nccc(C2CCN(C(=O)CN3CCCCCCC3)CC2)n1 220635074 HMOGPAKSBNFDSA-UHFFFAOYSA-N 330.476 2.757 0 50 EFAA CC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)COc1ccccc1F 179097591 BOWFKHGCTBBGEH-MSOLQXFVSA-N 347.430 2.839 0 50 EFAA Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(F)(F)[C@H](CO)C1 291010514 DLIDFXQAMGDBLX-LBPRGKRZSA-N 336.338 2.740 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](CN)C2)cc1OC 178574004 JOWKZYRITHNLJG-NSHDSACASA-N 326.824 2.558 0 50 EFAA Cc1c(CNC(=O)N2CCC(N(C)c3ccccc3)CC2)cnn1C 179332695 LGBFGWNKMTZEPF-UHFFFAOYSA-N 341.459 2.539 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCCN(c2ncccn2)CC1 91551911 JRJVEJHHEWGODC-KRWDZBQOSA-N 336.439 2.635 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2cnc(C3CC3)nc2C)C1 95369764 WVVACPVZQGIJJY-UHFFFAOYSA-N 339.395 2.574 0 50 EFAA CCCn1cnnc1[C@H](C)NC(=O)C1CCN(C2CCCCC2)CC1 95360407 NOSWCMOOBJWESW-HNNXBMFYSA-N 347.507 2.910 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2CCCCN2c2ccccc21 294492955 XQHSOSUDRKYBBI-AWEZNQCLSA-N 333.395 2.977 0 50 EFAA CSCc1noc([C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 91304230 XETKJJNXRXANNB-AWEZNQCLSA-N 331.441 2.881 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 91966237 VIZAOWXYJMFRDK-SFHVURJKSA-N 337.423 2.761 0 50 EFAA COc1ccc(-c2ncc(CN3CCCC[C@@H]3CC(=O)O)cn2)cc1 97642509 RRDVEIQTWXVXJK-MRXNPFEDSA-N 341.411 2.981 0 50 EFAA CCN(C(=O)c1csc(S(C)(=O)=O)c1)[C@@H](C)c1cccnc1 162969426 WRCPJSUXDDMKPD-NSHDSACASA-N 338.454 2.770 0 50 EFAA Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CCc1scnc1C 184724206 JIMGFAPFRJLGLT-INIZCTEOSA-N 333.432 2.615 0 50 EFAA Cc1cc(C)n2nc(C(=O)N[C@@H]3COC4(CCCCC4)C3)cc2n1 244840337 ULGCWSZULXATKD-AWEZNQCLSA-N 328.416 2.568 0 50 EFAA CC(C)COC1CCN(C(=O)c2ccccc2-n2ccnn2)CC1 182302510 IAJDOHBXANLRLE-UHFFFAOYSA-N 328.416 2.545 0 50 EFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1CCOC1 299752644 UVTUPIMNLSWQPU-GFCCVEGCSA-N 345.317 2.545 0 50 EFAA O=C(c1ccoc1C1CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299744745 PPTJDDLZASJQSD-AWEZNQCLSA-N 326.400 2.931 0 50 EFAA Cc1cc2cccc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)c2o1 252540043 ORLUAKSYLIDARH-UKPHBRMFSA-N 339.395 2.717 0 50 EFAA COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCCCC4)c3CO2)cc1 263617880 QEMQJKDGRAZEFI-KRWDZBQOSA-N 341.411 2.789 0 50 EFAA NCC[C@H]1CN(C(=O)c2cccc(-c3ccc(Cl)cn3)c2)CCO1 299783411 ZDCCZHOHCXQQJB-INIZCTEOSA-N 345.830 2.592 0 50 EFAA Cn1nc(C2CC2)cc1NC(=O)NCCN1CCCc2ccccc21 299802621 TXBWFVRMZKSYLS-UHFFFAOYSA-N 339.443 2.872 0 50 EFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)[C@H]1CCOc2ccccc21 653330405 FBWCEQWLXIRPBY-YESZJQIVSA-N 337.375 2.982 0 50 EFAA CC[C@@H](NC(=O)N(C)CCCn1nc(C)cc1C)c1ncc(C)[nH]1 584896794 AGBFEEZQMYPTMZ-OAHLLOKOSA-N 332.452 2.714 0 50 EFAA C[C@@H](C(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C1CCC1 952994887 VWKCRTFQJUCWID-ZYHUDNBSSA-N 344.381 2.797 0 50 EFAA Cn1nccc1[C@H](O)CNCc1c(Cl)cccc1Br 1875283823 DERLQPMNVRRWKL-CYBMUJFWSA-N 344.640 2.659 0 50 EFAA C[C@H](O)C(=O)N1C[C@@H](c2ccccc2)O[C@H](c2ccc(F)cc2)C1 1875265537 QQNYDIKBFNYTJL-KKXDTOCCSA-N 329.371 2.848 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2C1)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875346068 ROCKHNZMHQGBHR-MJGOQNOKSA-N 338.382 2.992 0 50 EFAA C[C@H](c1ccccc1Cl)N1CCN(C(=O)/C=C/CN(C)C)CC1 1875387706 UICALVIQLCJRLM-RZIFZGNASA-N 335.879 2.663 0 50 EFAA CN(C)CCC1CCN(C[C@@]2(C)CN(Cc3ccccc3)C2=O)CC1 1875367576 PNELNSHKRPJDTB-NRFANRHFSA-N 343.515 2.699 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)/C=C/c1cc(CO)cs1 952963561 KVNCHUGEZWNDIH-RGDDUWESSA-N 333.457 2.681 0 50 EFAA CCC(CC)(C(=O)N[C@@H]1CCc2nnn(C)c2C1)c1ccccc1 886752359 MDOXBBMSWYJKHO-OAHLLOKOSA-N 326.444 2.547 0 50 EFAA O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNCc1cccc(-c2cccnc2)c1 888076262 QQYNMERVHCAYNQ-GUDVDZBRSA-N 349.438 2.511 0 50 EFAA Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cn1 1565527566 JDJVXGSGSLSSCN-WBVHZDCISA-N 341.455 2.562 0 50 EFAA CC[C@H]1[C@H](NC(=O)Cc2nc3ccc(Cl)cc3[nH]2)[C@H]2CCO[C@@H]12 1565508024 QYELUZATTQJPKO-YNHQPCIGSA-N 333.819 2.689 0 50 EFAA c1ccc(-n2cnc3c(N[C@@H]4CCNC5(CCC5)C4)ncnc32)cc1 900022751 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COc1cc(C(=O)N2CCC3(CN(C)C3)C2)ccc1OC1CCCC1 646020705 YWFFYUYOUNIABX-UHFFFAOYSA-N 344.455 2.794 0 50 EFAA CC(C)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)s1 192784323 FCZPRUCGRADDSQ-ZDUSSCGKSA-N 344.440 2.905 0 50 EFAA C[C@@H]1C[C@H](NCc2noc(-c3cccc(Br)c3)n2)CO1 648029757 UPDZUAGDZVQBQL-SKDRFNHKSA-N 338.205 2.766 0 50 EFAA Cn1nnc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)n1 194290482 QJMPXLAOQZULMJ-MRXNPFEDSA-N 327.819 2.937 0 50 EFAA CCCn1nc(C)cc1NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 1529168833 NJOGQRLDOHYGPV-INIZCTEOSA-N 340.427 2.556 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704280607 RIOKKFBTWRYVSW-IEBWSBKVSA-N 342.414 2.605 0 50 EFAA Cc1cc(NC[C@@H](CO)Cc2ccco2)nc(N2CCCCC2)n1 1704302431 KROCSTRXSSHWCT-HNNXBMFYSA-N 330.432 2.631 0 50 EFAA Cn1ccnc1SCCNC(=O)c1ccc2nc(C3CC3)oc2c1 11663417 YRGADWYTDROAFW-UHFFFAOYSA-N 342.424 2.961 0 50 EFAA COc1ccc(CNC(=O)c2cn3cc(C)ccc3n2)cc1OC 12323600 BETODYDXCOKWBU-UHFFFAOYSA-N 325.368 2.590 0 50 EFAA C[C@H]1CN(C(=O)c2ccn(COc3ccccc3Cl)n2)C[C@@H](C)O1 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ACDRVHBFGKCHJD-XUWVNRHRSA-N 345.374 2.788 0 50 EFAA CCc1occc1C(=O)N1C[C@@H](NC(C)=O)CC[C@@H]1C(F)(F)F 330554762 DVIOIDGZEYHIPP-GXFFZTMASA-N 332.322 2.514 0 50 EFAA Cc1c(C(=O)N(C)C[C@H](C)C(=O)O)cnn1-c1ccccc1Cl 237420375 RHBVWHGQJAQVSW-JTQLQIEISA-N 335.791 2.627 0 50 EFAA CC(C)(C)N1CCC(NC(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 134680303 ZVKATQTTXGUMAX-KRWDZBQOSA-N 346.475 2.507 0 50 EFAA COc1ccc([C@H]2CCN(C(=O)NC3CCN(C4CC4)CC3)C2)cc1 158476140 CZJINBWWYYBFGD-INIZCTEOSA-N 343.471 2.821 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NC[C@@H](c2ccccc2)C2CC2)C1 263120343 CGJRTCQCBIPGRA-COXVUDFISA-N 330.428 2.932 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)CC[S@@](C)=O 266773583 SQGARLLEKIONFX-ZQJOYCHOSA-N 340.470 2.527 0 50 EFAA Cc1nn(Cc2ccccc2)c(Cl)c1CN1CC(=O)N(C)[C@@H](C)C1 800480734 SLZLLWWAZBFXLH-ZDUSSCGKSA-N 346.862 2.556 0 50 EFAA O=C(NC1CCN(Cc2csc(C(=O)O)c2)CC1)c1ccccc1 901417809 PLRWYUUYLNRALR-UHFFFAOYSA-N 344.436 2.841 0 50 EFAA Cc1ccc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)c2)o1 1704310913 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HAVCWVVMCYXSQE-SFHVURJKSA-N 343.452 2.569 0 50 EFAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Br)c1 365674 PNBNLKDMMQDANV-GFCCVEGCSA-N 339.189 2.592 0 50 EFAA COc1ccccc1NC(=O)c1nnn(-c2ccccc2OC)c1C 4511605 GPLBOUGGOHLNCE-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(F)cc1 4736206 QADHIXNAKSJKIP-UHFFFAOYSA-N 349.416 2.809 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 6742919 CATSEWHFCTZHIS-HNNXBMFYSA-N 344.521 2.667 0 50 EFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1F 55565608 QGACSGJJKIFZRE-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1 225525174 YSPSJNSIHQFHIT-YJBOKZPZSA-N 344.386 2.956 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 246674832 FTRVGBZTWRFSHL-TUKIKUTGSA-N 326.362 2.877 0 50 EFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2csnn2)c1 55255050 MHUGWVZABMQYMB-UHFFFAOYSA-N 338.820 2.926 0 50 EFAA CCc1ccccc1OCCN(C)C(=O)c1cnc2ccnn2c1C 55568780 KKEGUMPSGODBJT-UHFFFAOYSA-N 338.411 2.751 0 50 EFAA 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CC[C@H](C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)N1CCCC1=O 175023452 GVVMSVFUDMSNEX-OAHLLOKOSA-N 344.390 2.659 0 50 EFAA O=S(=O)(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccc2c1OCC2 333760345 COEWRZPKEUMWAH-CGTJXYLNSA-N 341.432 2.628 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 237445390 XVIIJQDZRUZGFZ-WMZOPIPTSA-N 325.456 2.930 0 50 EFAA C[C@H](Oc1cccc(CO)c1)C(=O)N1CC(Cc2ccccc2F)C1 372332575 LKVWYQHPIVLHLJ-AWEZNQCLSA-N 343.398 2.786 0 50 EFAA CC[C@@H](Cn1ccnc1)NC(=O)CN1CCC(c2ccccc2)CC1 219304666 BJFUKBOXEDRZIO-IBGZPJMESA-N 340.471 2.658 0 50 EFAA CCOc1cc(CN(C)c2ncnc3c2c(C)nn3C)ccc1OC 72474217 JUJUTPNNHYVZKD-UHFFFAOYSA-N 341.415 2.715 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)O 262576489 DMLWHFAMQGHQBE-QEJZJMRPSA-N 344.411 2.669 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)NC1(CN2CCOCC2)CCCC1 215107950 QWEYGMDDELZXHU-SFHVURJKSA-N 342.483 2.868 0 50 EFAA Cc1cnn(CCC(=O)N2CCN(c3ccccc3C)C[C@H]2C)c1 77471817 NTBDVHOSXITAQN-QGZVFWFLSA-N 326.444 2.627 0 50 EFAA C[C@H](C(N)=O)N1C[C@H](c2ccccc2)O[C@@H](c2ccc(F)cc2)C1 242302168 YPZWLENSOQSWLB-FSPWUOQZSA-N 328.387 2.814 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 338923274 WYDQLQBIIOXUJS-INIZCTEOSA-N 343.408 2.805 0 50 EFAA O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCOC1 263431851 NRKRFNROGIJYEP-CYBMUJFWSA-N 325.364 2.961 0 50 EFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 222757515 QSRCOKXCJHAHHA-MOPGFXCFSA-N 342.414 2.630 0 50 EFAA Cc1nn(C)cc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 40287800 OARZWUXOKUOUGG-UHFFFAOYSA-N 328.376 2.625 0 50 EFAA CN1CCN(Cc2cc3ccccc3[nH]c2=O)C2(CCCCC2)C1 178404680 RIRAKIDJLPZYQE-UHFFFAOYSA-N 325.456 2.978 0 50 EFAA Cc1cncnc1C1CCN(C(=O)COc2ccc(F)cc2F)CC1 221238579 LDXKZKOMORPETB-UHFFFAOYSA-N 347.365 2.848 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCc2ccccc2C1 82114583 WPNHIMOVNZBYRB-QGZVFWFLSA-N 348.406 2.895 0 50 EFAA CC(C)N1CCC(CCNC(=O)N2CC(c3ccccn3)C2)CC1 426567121 QNZJVVKWEBSKCX-UHFFFAOYSA-N 330.476 2.701 0 50 EFAA Nc1cccnc1-c1ccc(C(=O)N2CCCN3CCC[C@H]3C2)cc1 426551105 LBXNQMQVFQWIFQ-KRWDZBQOSA-N 336.439 2.641 0 50 EFAA CN(C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1 426383998 VRXLDIAVORUCFA-SFHVURJKSA-N 345.487 2.719 0 50 EFAA CC(C)c1[nH]ccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 292136412 JEBFJJOXLWGDNQ-GFCCVEGCSA-N 329.375 2.813 0 50 EFAA CO[C@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2 95391839 LTBVUOPCSABDSY-LBPRGKRZSA-N 331.338 2.660 0 50 EFAA Cc1nc(N2CCC3(CC2)c2ccccc2C[C@@H]3O)c2cccnc2n1 95363183 MPCMXADOVSXLTI-SFHVURJKSA-N 346.434 2.788 0 50 EFAA O=C(O)c1cccc(N2CCCN(Cc3ccccc3F)CC2)n1 95501645 DLIAEPLXGJDVSB-UHFFFAOYSA-N 329.375 2.631 0 50 EFAA COc1ccc(CNC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1 426593911 YRYCGCPEARBJGR-QGZVFWFLSA-N 331.460 2.855 0 50 EFAA CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95390680 MAHVYZXMJXHWEP-CWFSZBLJSA-N 342.439 2.604 0 50 EFAA CC(C)(C)c1nnc(N2CCN(c3ncnc4ccccc34)CC2)o1 95390993 ZZPNFMGTOZRACV-UHFFFAOYSA-N 338.415 2.637 0 50 EFAA CSc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)C(=O)C2)cc1 95372526 VFYSMCJUAXTATR-KRWDZBQOSA-N 348.468 2.621 0 50 EFAA CCCc1noc([C@@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)n1 91593835 WQQSFBOKEYPGNQ-CQSZACIVSA-N 329.400 2.937 0 50 EFAA O=C(CCc1ccccc1)N1CCCN(c2ncnc3[nH]ccc23)CC1 267522278 GSILMSWZFVNFIN-UHFFFAOYSA-N 349.438 2.629 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCCC(=O)NC1CCCCC1)N(C)C 95511915 JGSWEDMTQMLTSH-LJQANCHMSA-N 345.487 2.553 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c2cccnc12 97636609 IREBAWCQDRAVSN-QWHCGFSZSA-N 342.395 2.703 0 50 EFAA Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)c1 95496446 JIWITVPPKVEKGX-LJQANCHMSA-N 334.419 2.994 0 50 EFAA Cc1nc2c(c(N(C)C[C@@H]3CCOC3)n1)Cc1ccccc1OC2 95522506 BQXKRCCIHZFGPI-AWEZNQCLSA-N 325.412 2.741 0 50 EFAA Cc1n[nH]cc1CN(C)C(=O)CC1CCN(Cc2ccccc2)CC1 244817040 STJVEGZCOCIOLS-UHFFFAOYSA-N 340.471 2.979 0 50 EFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1COc2ccccc2C1=O 184845979 MZZOKFHZFNYRTJ-FVQBIDKESA-N 331.412 2.732 0 50 EFAA CC1(C)CCC(C)(C)c2cc(C(=O)N[C@]3(CO)CCOC3)ccc21 182915023 ZPSXUTDTPWYKQX-FQEVSTJZSA-N 331.456 2.917 0 50 EFAA CCC[C@@H](CC)NC(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1 534634157 AGTMYIGVBLPSGI-MRXNPFEDSA-N 347.459 2.628 0 50 EFAA CCNC(=O)c1ccc(NC(=O)NCc2c(C)n[nH]c2C)cc1Cl 299761220 XHJRZRCHNVPQGK-UHFFFAOYSA-N 349.822 2.751 0 50 EFAA Cc1cccc2c(CCNC(=O)CSCCN3CCCC3)c[nH]c12 299764918 WLMKANPXLIQJMY-UHFFFAOYSA-N 345.512 2.964 0 50 EFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1ccccc1Cl)CC2 299759575 USKBLEZDOVDZLK-BPQIPLTHSA-N 339.863 2.861 0 50 EFAA CC(=O)Nc1cc(NC(=O)N2CCC3(CCN(C)CC3)C2)ccc1F 299758941 LWGQAERKEGXDRK-UHFFFAOYSA-N 348.422 2.734 0 50 EFAA COc1ccc(-c2ccc(NC(=O)NC[C@@H]3COCCO3)cc2)cc1 299799274 QKNUCXGRJDIVHO-GOSISDBHSA-N 342.395 2.899 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1ccc(CN2CCCC2)o1 828166520 WMBMDESVZUNUOK-UHFFFAOYSA-N 331.416 2.843 0 50 EFAA C[C@H](c1nc(COc2ccccc2)nn1CCO)N1CCCCCC1 828776990 PAPLIEQBHNARTJ-MRXNPFEDSA-N 344.459 2.786 0 50 EFAA CC(C)N1C[C@H](CNC(=O)c2ccc(Cn3cccc3)cc2)CC1=O 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345.439 2.576 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@@H](C)Cn2cncn2)o1 1772705269 ROSWFVQNHKKTAU-LBPRGKRZSA-N 328.376 2.618 0 50 EFAA O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](C2(O)CC2)C1 1772808451 QVCMJZRDUYLGDO-NSHDSACASA-N 349.374 2.631 0 50 EFAA CCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 5247209 AMPYTXNFJQTCHU-JTQLQIEISA-N 337.272 2.756 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 12028225 PDHBDAWJPUJVHA-MRXNPFEDSA-N 326.400 2.602 0 50 EFAA CN(C(=O)c1ccc(NC(=O)CCC(=O)O)cc1)c1ccccc1 12138895 HVVDYJQKOFKSCT-UHFFFAOYSA-N 326.352 2.767 0 50 EFAA CCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12387537 YJNCTBGMHTYUFY-LBPRGKRZSA-N 328.334 2.723 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12940650 OGTPHECEGPFRFL-KBPBESRZSA-N 346.814 2.928 0 50 EFAA CCC(=O)Nc1cc(S(=O)(=O)NC2CCCCC2)ccc1OC 16579633 YHQRFZYYLWCHQU-UHFFFAOYSA-N 340.445 2.655 0 50 EFAA CCOc1ccc(-c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)cc1 19973888 PTDXRDJLGYBNON-UHFFFAOYSA-N 336.395 2.984 0 50 EFAA 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N[C@@H]1CN(c2ccc3ncc(Br)n3n2)Cc2ccccc21 2325859137 PJNXSXVRHCUCCV-GFCCVEGCSA-N 344.216 2.512 0 50 EFAA CN1CCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2)CC1 2325861671 WZWJQTVVWXKZMO-UHFFFAOYSA-N 335.455 2.922 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C2)n[nH]1 936176281 XUBGHRQXRZWHCR-DZGCQCFKSA-N 346.475 2.690 0 50 EFAA O=C(OC[C@@H]1[C@H](O)CCCN1C(=O)c1ccccc1)c1ccccc1 401596 FFJXGKSTRCOJDS-QZTJIDSGSA-N 339.391 2.509 0 50 EFAA CC(=O)c1cccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 472959 NSUFMZYJEUINGB-LSDHHAIUSA-N 332.787 2.776 0 50 EFAA CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 620554 FHKUJBMAPHJCOI-UHFFFAOYSA-N 345.468 2.957 0 50 EFAA CN(c1nnc(-c2ccccc2)s1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356142828 JPIXHZPRTBZIMI-MJBXVCDLSA-N 328.441 2.556 0 50 EFAA Cc1occc1C(=O)N1C[C@H](C)N(C(=O)c2ccoc2C)C[C@@H]1C 2748921 XWGLBNFJBKAOLT-RYUDHWBXSA-N 330.384 2.865 0 50 EFAA COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 4917183 QDROWDIARORUJQ-ATVHPVEESA-N 325.364 2.948 0 50 EFAA Cc1nc(CN2CCN(Cc3ncc(C(C)(C)C)o3)CC2)oc1C 225543943 VHVCGWIFULKXNH-UHFFFAOYSA-N 332.448 2.895 0 50 EFAA O=C(NCc1cc(Cl)ccn1)[C@@H]1CCN(c2ccc(F)cc2)C1=O 344668092 QBGJKVGOSQEBBX-HNNXBMFYSA-N 347.777 2.543 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 248129297 MPTVTKKGSYTLOY-CHWSQXEVSA-N 327.350 2.799 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@H]1CCCCO1 62193568 LJRHTRIOKMYHBS-CYBMUJFWSA-N 347.864 2.928 0 50 EFAA Cc1ccc(CS(=O)(=O)c2nc(Br)ns2)cc1 4290530 AUCJRZBPWVUUTN-UHFFFAOYSA-N 333.232 2.583 0 50 EFAA Cc1c(CCNC(=O)c2ccc(=O)n(C)c2)c2cccc3c2n1CCC3 65457479 JVBUBXQIMHJAHG-UHFFFAOYSA-N 349.434 2.567 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 153922350 CWHOEDYZWWUMRT-JKSUJKDBSA-N 344.463 2.528 0 50 EFAA O=C(c1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCCCC1 22310848 UYRBVFRHEFSEDB-UHFFFAOYSA-N 343.408 2.576 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2ccc(Cn3cccn3)cc2)[C@H]2CCO[C@H]21 230088238 ORKZWRCWFRIIOP-BRWVUGGUSA-N 340.427 2.866 0 50 EFAA C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1C[C@H]1c1ccccc1Cl 252498242 VFAFCKBFAURNPE-ZLDLUXBVSA-N 335.835 2.506 0 50 EFAA CCn1ncc(C(=O)N(Cc2cccnc2)Cc2cccnc2)c1C 65382123 FXYORDGXTIYSIQ-UHFFFAOYSA-N 335.411 2.844 0 50 EFAA Cc1cc(S(=O)(=O)N(C)Cc2cn3c(n2)CCCC3)c(C)s1 328636643 VPYDYSJBHBFJDW-UHFFFAOYSA-N 339.486 2.718 0 50 EFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cc3ccoc3)CC2)cn1 328623244 BTJGOYPHWOVBRT-INIZCTEOSA-N 342.443 2.776 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 282439588 JKSBWKQIJCYHKY-YJBOKZPZSA-N 329.371 2.711 0 50 EFAA CCCC[C@H](C)C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 253397553 WGIQFRHVTSPCRJ-UONOGXRCSA-N 332.448 2.548 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](N(C)C)CC2)c2ccccc2n1 72133492 YCUAFTLGNSPMIC-AWEZNQCLSA-N 327.428 2.800 0 50 EFAA CN(C)CCOc1cnccc1CN[C@@H]1CCCc2ccc(O)cc21 361002033 HXZIIANFARWXHC-LJQANCHMSA-N 341.455 2.895 0 50 EFAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2c(C)noc2C)c(C)s1 77320895 DNJRBNRCLDQXFW-QMMMGPOBSA-N 329.447 2.746 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72411651 NQUMEBYKWWJINW-GOSISDBHSA-N 332.488 2.946 0 50 EFAA O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1noc2c1CCCC2 333088668 NTUOKPFHGZAFIS-NSHDSACASA-N 348.415 2.798 0 50 EFAA NC(=O)c1ccc2cccc(OC[C@@H]3CCCN4CCCC[C@H]34)c2n1 72140546 CLWGWKOKBCLNDO-DOTOQJQBSA-N 339.439 2.977 0 50 EFAA CCc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)o1 127882485 YKGJUUHGFCEQNU-XEOPVTEJSA-N 342.439 2.857 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2CN)cc1OC 237013322 GSBNHSPKCXOCFX-GFCCVEGCSA-N 326.824 2.701 0 50 EFAA Cn1nnc2c1C[C@H](C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)CC2 333517613 VMZBTMYZYFZDKU-CRAIPNDOSA-N 338.455 2.920 0 50 EFAA O=S(=O)(c1cnc[nH]1)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 370109618 FWKNNOMNSKEMBU-HZPDHXFCSA-N 331.441 2.683 0 50 EFAA Cc1nc(CCC(=O)N2CCC[C@H](COc3ccccc3C)C2)n[nH]1 77299203 CEROJOPZXUHPMP-INIZCTEOSA-N 342.443 2.672 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CC2)c1 237941953 ZDSITEDPSRBCLW-INIZCTEOSA-N 344.411 2.895 0 50 EFAA Cc1ccccc1SC1CCN(C(=O)c2c[nH]c(=O)cc2O)CC1 77422845 HNKURCYATVXKHG-UHFFFAOYSA-N 344.436 2.786 0 50 EFAA NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](N)C3)cc2)c1 262648306 KQXCTOMQCJISDX-KGLIPLIRSA-N 339.395 2.644 0 50 EFAA c1ccc(-c2ncc(CN3CCCN(c4ncccn4)CC3)cn2)cc1 215544748 XOECQQOEVZNSFM-UHFFFAOYSA-N 346.438 2.646 0 50 EFAA CCn1ccnc1CN(C)C(=O)CCC(=O)NC1CCCCCCC1 219889143 PKOMEDLULFSBGT-UHFFFAOYSA-N 348.491 2.871 0 50 EFAA COCCCN(C(=O)c1cn(C)cn1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 337515866 PYFNZHIVORFYQC-KCYAQADSSA-N 331.460 2.724 0 50 EFAA CC(C)[C@H]1CN(Cc2cccc3nonc23)CCC(=O)N1CC1CC1 71775708 FANRFNAIVXBMBQ-QGZVFWFLSA-N 342.443 2.692 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](COc2ccc(F)cc2)C1 72410138 OHZLSKJFKATYLE-ZDUSSCGKSA-N 343.402 2.969 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@@H]2[C@@]23CCCC[C@@H](C2)[C@@H]13 45071124 MPHQGEVRNPUKKN-RAPQVLNZSA-N 337.423 2.887 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)O)cc12 263554277 YBMAWPHLTOZUHZ-IEVXNVSRSA-N 346.358 2.641 0 50 EFAA O=C(c1cc(-c2ccco2)on1)N1CC[C@H](n2cc(Cl)cn2)C1 290790941 SYMHQKVFUKPMTB-NSHDSACASA-N 332.747 2.872 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)C1 179000417 NWUNXSYKQGSCHM-RYUDHWBXSA-N 330.350 2.541 0 50 EFAA COc1ccccc1-c1nccn1Cc1nnnn1-c1ccccc1 82161691 HZGOWAFPFOTADX-UHFFFAOYSA-N 332.367 2.583 0 50 EFAA COc1cccc2c1OC[C@H](CNC1CSCCSC1)C2 95392234 IPCJHXIDRZZFEA-LBPRGKRZSA-N 325.499 2.685 0 50 EFAA COc1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1C(N)=O 95511888 QZPSHDSWZZYXPU-CYBMUJFWSA-N 327.380 2.597 0 50 EFAA CNc1cc(C(=O)NC2CCN(Cc3ccccc3F)CC2)ccn1 97547770 JKXOPNSSEZYQSP-UHFFFAOYSA-N 342.418 2.657 0 50 EFAA CCc1csc(CCNC(=O)[C@@H]2COc3c(cccc3OC)C2)n1 91755926 KAYKKZZXUVEYIW-ZDUSSCGKSA-N 346.452 2.624 0 50 EFAA COCC[C@@]1(CO)CCCN(C2CCN(c3ccccc3)CC2)C1 91644332 JIVKIYIMHCRWKJ-FQEVSTJZSA-N 332.488 2.766 0 50 EFAA O=C(c1ccco1)N1CCC(c2nccn2Cc2ccncc2)CC1 91616327 HVDUIBOCNNNRQH-UHFFFAOYSA-N 336.395 2.939 0 50 EFAA CCOC(=O)N1CCN(C(=O)Nc2ccc3sc(C)nc3c2)CC1 244873625 WTDVOZNYAMYJTF-UHFFFAOYSA-N 348.428 2.911 0 50 EFAA CCOc1ccccc1N1CCN(Cc2ncnn2CC(C)C)CC1 182605125 OLFOKQDHOVFIGC-UHFFFAOYSA-N 343.475 2.655 0 50 EFAA Cc1nc(NCCc2nc3ccccc3n2C)cc([C@H]2C[C@@H](O)C2)n1 244719023 LVGNGFTVJPHJSJ-OKILXGFUSA-N 337.427 2.565 0 50 EFAA O=C(CCCn1cccn1)NCCc1csc(-c2cccnc2)n1 252509033 YBMDFCWDEQXUIY-UHFFFAOYSA-N 341.440 2.541 0 50 EFAA Cc1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)c(O)nc1C 534590723 OEVVVLXYBFEHQP-UHFFFAOYSA-N 339.439 2.897 0 50 EFAA O=C1NC[C@H](NCCc2ccccc2)n2nc(-c3cccs3)cc21 263617488 NZXJOTSWBNHQEK-QGZVFWFLSA-N 338.436 2.686 0 50 EFAA O=C(Nc1cccnc1Cl)N1CCCN(C(=O)C2CCC2)CC1 299789957 ASWNZVJZUFWENT-UHFFFAOYSA-N 336.823 2.601 0 50 EFAA COc1ccc(CCNc2cc([C@H]3CCOC3)ncn2)c(OC)c1 299781333 LGEPOBLVFHVZJU-AWEZNQCLSA-N 329.400 2.652 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)Cn3nc(C)c(Cl)c3C)CC2)n1 299763822 DVSOCDLHNSUPBF-UHFFFAOYSA-N 349.866 2.563 0 50 EFAA CCC(=O)N1CSC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 863950269 HRWHSTMNSINXFW-CQSZACIVSA-N 346.456 2.782 0 50 EFAA 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EFAA CCc1nc(C)c(C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)o1 952975119 GWOVELZFRYAJAH-UHFFFAOYSA-N 330.340 2.772 0 50 EFAA COc1cnc2ccccc2c1-c1nnc([C@@]2(OC)CCOC2)o1 886086232 RUQZBZSEWVONAI-QGZVFWFLSA-N 327.340 2.555 0 50 EFAA CCC[C@@H](CC)C(=O)N1CC[C@H](NC(=O)c2cncnc2C(C)C)C1 1386102150 UQHCAGLLJBPQQG-CABCVRRESA-N 346.475 2.757 0 50 EFAA c1ccc(OCCCc2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 274007522 ODNUEZMEULZDQR-GOEBONIOSA-N 329.400 2.617 0 50 EFAA Cn1nc(C(=O)N2CC(C)(C)Oc3ccccc32)cc1OC(F)F 186064460 WOMKQSWRZSBDOA-UHFFFAOYSA-N 337.326 2.839 0 50 EFAA O=C(NCCc1cn2ccccc2n1)c1ccc(NCC2CC2)nc1 278644760 OCWONTLOMAQIAO-UHFFFAOYSA-N 335.411 2.524 0 50 EFAA O=C1CCCC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)N1 194418815 NLMUZSUYNKATFO-MRXNPFEDSA-N 338.407 2.980 0 50 EFAA Cc1cnc(CCNC(=O)Nc2cnc(CC3CC3)nc2)c(C)c1 654070200 YZEZZXFXCKZHBC-UHFFFAOYSA-N 325.416 2.805 0 50 EFAA CCc1cc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)n[nH]1 746254964 ULKUICZMHIDQQN-GOSISDBHSA-N 326.444 2.643 0 50 EFAA CN(Cc1cscn1)S(=O)(=O)Cc1ccc(Cl)cc1F 1191888720 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343.471 2.741 0 50 EFAA C[C@H]1CN(C(C)(C)CNc2nccc(C(F)(F)F)n2)C[C@H](C)O1 298151171 HSOBUESRZCCXQC-QWRGUYRKSA-N 332.370 2.795 0 50 EFAA O=C(Cn1cnc2ccccc21)NC[C@H](c1ccccc1)N1CCCC1 298166095 PJXOFJLOCPNFKV-HXUWFJFHSA-N 348.450 2.990 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1nc(C2CC2)no1 299746969 BQBKFTVBHVFMMR-MCIONIFRSA-N 347.415 2.514 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N(C)CC2(CO)CCOCC2)c(C)c1 534649988 APHJWLDSEIGJMA-INIZCTEOSA-N 334.460 2.795 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)N(C)Cc2ncc(C)[nH]2)c1 534656684 AMFHIDNUIKSXMS-LBPRGKRZSA-N 332.404 2.638 0 50 EFAA CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1CNCCO1 299757517 IQIIIKFCMWPLSO-LLVKDONJSA-N 338.860 2.892 0 50 EFAA COc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)ccn1 670448736 SBZVCPOIRQWDET-GOSISDBHSA-N 339.439 2.700 0 50 EFAA Cc1cc(N(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)ccn1 1875276067 JEVYUICPMIBXQO-UHFFFAOYSA-N 338.333 2.757 0 50 EFAA Cc1c([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cnn1-c1ccccc1 1875257443 BWQOWUDTOCCBMR-LLVKDONJSA-N 339.351 2.963 0 50 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Cc1noc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n1 269661755 OYHDIFDHPRTJOV-NSHDSACASA-N 334.807 2.614 0 50 EFAA CCCc1cc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)n[nH]1 1565510500 OMGSCIGNKIQSPF-CVEARBPZSA-N 341.411 2.611 0 50 EFAA C[C@@H](NC(=O)[C@H](O)c1ccccc1Cl)[C@H](O)c1ccc(F)cc1 305718777 NYYXRTCBOITVCY-HPEXNQPKSA-N 337.778 2.751 0 50 EFAA C[C@H]1CN(c2ccc(CN[C@H](C)CCCCN(C)C)cn2)CCO1 222260390 GSNZWTUBXCAZPK-SJORKVTESA-N 334.508 2.517 0 50 EFAA O=C(N[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCCN1Cc1ccc(F)cc1 634504304 JVMBSTFXIBNREM-MCIONIFRSA-N 330.325 2.857 0 50 EFAA C[C@@H](NC(=O)CN1CCOc2ccc(Br)cc21)C1CC1 170604690 ANVJWATYTDSTLA-SNVBAGLBSA-N 339.233 2.563 0 50 EFAA CN(C(=O)CN1CC[C@H](N2CCCC2)C1)[C@@H]1CCCc2ccccc21 170746027 IVINTEAEXWHJLR-AZUAARDMSA-N 341.499 2.693 0 50 EFAA CC1(C)CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1O 279471204 WSBSYDNYZIWHSD-SNVBAGLBSA-N 348.624 2.651 0 50 EFAA Cc1nn(CCS(C)(=O)=O)c(C)c1CSc1ccccc1O 280527667 GKOTZOOVJGRNIW-UHFFFAOYSA-N 340.470 2.542 0 50 EFAA Cn1cc(C2=CCCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)C2)cn1 636165542 DQZPJGWQQVAENC-FPOVZHCZSA-N 333.435 2.940 0 50 EFAA COCCO[C@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C1 188537316 QQJGGISLOWHWLK-SFHVURJKSA-N 328.412 2.787 0 50 EFAA O=C(Nc1nnc[nH]1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 189597243 ZOHYIKPWAUBXFL-UHFFFAOYSA-N 326.278 2.665 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 190727254 JLBTYGKZCKDORO-LBPRGKRZSA-N 348.834 2.781 0 50 EFAA Cc1nc2ccncc2cc1OCc1nnc([C@H]2CCCOC2)o1 643649922 PJVCOMKSZRQXHB-LBPRGKRZSA-N 326.356 2.794 0 50 EFAA C[C@@H](c1nnnn1C1CC1)N1CCO[C@H](c2ccccc2Cl)C1 191993820 AJVSWFSCDSMNLB-NHYWBVRUSA-N 333.823 2.796 0 50 EFAA C[C@@H](NC(=O)CCC(=O)OC(C)(C)C)c1nc2ccccc2n1C 192426566 NIOXXUXEHJJNJB-GFCCVEGCSA-N 331.416 2.872 0 50 EFAA Cc1ccc(CS(=O)(=O)N(C)CCc2ncc(C)s2)c(F)c1 192814868 VMXJABMYYHOMBT-UHFFFAOYSA-N 342.461 2.903 0 50 EFAA C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 194098299 KEZHTSNHTHDZSL-GUYCJALGSA-N 344.459 2.712 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(O)nc1 194878495 CNEOEWRPDDHRHI-UHFFFAOYSA-N 333.775 2.508 0 50 EFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1COc2ccccc2C1 653333415 OTAWSXGYTHOXSE-KBRIMQKVSA-N 337.375 2.667 0 50 EFAA COc1cccc(C2(NC(=O)NCc3noc(C4CC4)n3)CCC2)c1 664551004 KTTREYJQYACXGS-UHFFFAOYSA-N 342.399 2.834 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3nc4c(s3)CCCC4)C2)n1 1506409449 XNCILZPPFCAOAX-ZDUSSCGKSA-N 330.457 2.922 0 50 EFAA COc1ccnc(CN2CCC[C@H](OCc3ccccn3)C2)c1OC 1529119761 LIRCOTWXPVCYDL-INIZCTEOSA-N 343.427 2.675 0 50 EFAA COc1cccc([C@H]2CN(C(=O)CCC(F)(F)F)C[C@@H]2C(=O)O)c1 220151904 LJUXYEPINQOEPR-OLZOCXBDSA-N 345.317 2.664 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cn2)CC1 12955593 DSLVSFMWCDGZIL-UHFFFAOYSA-N 342.237 2.901 0 50 EFAA in-vitro C[C@@H](CCn1cccn1)N1CCCN(C(=O)Cc2ccsc2)CC1 1772806404 FCDPUURFSYPKOA-INIZCTEOSA-N 346.500 2.500 0 50 EFAA CCCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(OC)cc3n2)n1 18266806 BEKFORGGCKTORM-UHFFFAOYSA-N 325.372 2.726 0 50 EFAA COc1cc(CN2CCN(C=O)CC2)ccc1OCc1ccccc1 19633124 ZHUYOAGSGMMEGP-UHFFFAOYSA-N 340.423 2.548 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3ccccc3OC)CC2)O1 1857695259 BIOCBLXTMGNMOQ-SJORKVTESA-N 347.455 2.549 0 50 EFAA CCOc1ccc2nc(CN3C[C@H]4CCCN4C(=O)[C@@H]3C)ccc2c1 1857707542 WBWTYMZURTWXHL-WMLDXEAASA-N 339.439 2.829 0 50 EFAA CNC(=O)[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 111265484 HASDNQQJDUPGIW-ZDUSSCGKSA-N 333.819 2.953 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ncncc2Br)C1 225647304 XHZAJFWPACXCQT-YPMHNXCESA-N 338.180 2.691 0 50 EFAA CC(=O)N[C@H](CC(=O)NCC1C[C@@H](C)O[C@H](C)C1)c1cccs1 330523886 TZQWVEWAVJUCLT-LALPHHSUSA-N 338.473 2.635 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cn1 331294059 XXQKOXBBFCRMFW-GOEBONIOSA-N 346.452 2.965 0 50 EFAA O=S(=O)(c1sccc1F)N1CCOC[C@@H]1c1ccc(F)cc1 451953315 JAXMXZHWEFVWFN-CYBMUJFWSA-N 345.392 2.789 0 50 EFAA O=C1N[C@]2(c3nc(Cc4cccc(Cl)c4F)no3)C[C@H]3C[C@@H]1[C@H]2C3 351400151 BEQZSHUZMSTRPM-SGODGFQQSA-N 347.777 2.824 0 50 EFAA O=C(Nc1ccn(CC(F)F)n1)c1ncccc1Br 252491782 LTDMFZIYHCCMOK-UHFFFAOYSA-N 331.120 2.558 0 50 EFAA COc1cccc(OCC(=O)N2CCN(C)c3ccccc3C2)c1 263918246 RETFOZIWUZKDJE-UHFFFAOYSA-N 326.396 2.553 0 50 EFAA COc1cccc([C@H](O)CNC(=O)N[C@H](C)c2cccc(OC)c2)c1 264682018 AXGBGAQLJDPZFH-FZKQIMNGSA-N 344.411 2.798 0 50 EFAA Cc1cnc(CCNC(=O)[C@H]2C[C@@]23CCOc2ccccc23)s1 390832869 ILPDAZRCRJKQSG-RDTXWAMCSA-N 328.437 2.851 0 50 EFAA Cc1nnc([C@H]2CN(Cc3cnc(-c4ccccc4)o3)C[C@@H](C)O2)o1 931029569 ACXMWPHLYKCECP-MLGOLLRUSA-N 340.383 2.995 0 50 EFAA COc1cccc(-c2nc(CN3CCNC(=O)CC3(C)C)cs2)c1 931207728 PSHLOBXRICQDIF-UHFFFAOYSA-N 345.468 2.919 0 50 EFAA CCc1cc(CNC(=O)[C@H](OC)c2ccccc2C(F)(F)F)n[nH]1 932630706 NKVFZWOFWVJPPW-CQSZACIVSA-N 341.333 2.995 0 50 EFAA Cc1c(O)nc2ccccc2c1C(=O)NCCc1cnc(C2CC2)nc1 935087115 QMTIYEZPBWOKPZ-UHFFFAOYSA-N 348.406 2.889 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12 16578816 JHPBVHJTBYVXGL-UHFFFAOYSA-N 328.393 2.722 0 50 EFAA c1ccc2c(c1)CC[C@@]21CCN(c2nnnn2C[C@@H]2CCSC2)C1 2325764969 JYCICZDHYBZYDX-KSSFIOAISA-N 341.484 2.521 0 50 EFAA Cc1ccncc1C(=O)NC[C@@H](C)N(C)c1nc2cccnc2s1 2325838908 CINULJIWOJZSSY-GFCCVEGCSA-N 341.440 2.649 0 50 EFAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1 122525 ZXKBNWOZEHEUMJ-UHFFFAOYSA-N 346.799 2.636 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1Cl 460964 IXCZJWJGNHKQPR-LLVKDONJSA-N 331.224 2.959 0 50 EFAA COC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 612729 BDZDSKJNWMUUOC-UHFFFAOYSA-N 336.391 2.787 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 614628 XLLPTNNPFHNWBE-AWEZNQCLSA-N 328.368 2.757 0 50 EFAA CO[C@H]1CC[C@H](NC(=O)CCCc2nc(-c3cccnc3)no2)CC1 2356146600 MVJOLTFZKGATEB-SHTZXODSSA-N 344.415 2.528 0 50 EFAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cnn(C)c3)C2=O)cc1 2356149342 VVCYKTREKHYCCN-HXUWFJFHSA-N 338.455 2.890 0 50 EFAA Cc1ccccc1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 6700202 MJYBTPQUGCGIJP-UHFFFAOYSA-N 335.407 2.974 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1ccc(-n2nncc2C)cc1 9764002 YQRWNJLYJZIQBE-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(-c3c(F)cccc3F)c2)C1 345288500 BDRMOWCOGFPIPR-GJZGRUSLSA-N 347.361 2.854 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](n3cnc4ccccc43)C2=O)cc1 101389881 KHONSCLLVRIQDL-QGZVFWFLSA-N 335.363 2.940 0 50 EFAA C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1Cl 248382998 YVNDPNLTTHGOLJ-IACUBPJLSA-N 348.830 2.692 0 50 EFAA CC(=O)NCCc1nc(CC(C)C)nn1-c1cccc2cccnc12 65504064 CWOOLUQZIOWXMH-UHFFFAOYSA-N 337.427 2.693 0 50 EFAA Cc1noc(C)c1C(=O)Nc1cccc(-n2ncc(C(=O)O)c2C)c1 347786193 WMEGKJWPVUSWRR-UHFFFAOYSA-N 340.339 2.736 0 50 EFAA CCOC(=O)N1CCN(c2cc(C)c3cccc(OC)c3n2)CC1 23550218 FCMOCERNRWYSGL-UHFFFAOYSA-N 329.400 2.830 0 50 EFAA C[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCCCC2)n1cc(Cl)cn1 67739831 WSNUZYMKMHPJPT-NSHDSACASA-N 335.839 2.748 0 50 EFAA C[C@@H](O)CCNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 67894648 RMMZEYWNJRBPHM-SECBINFHSA-N 342.754 2.547 0 50 EFAA COc1ccc(CN2CCN(CC3CCC3)CC2)c(OC)c1OC 20294518 VYNYOYIYCKLCCU-UHFFFAOYSA-N 334.460 2.630 0 50 EFAA CC(C)Cc1nc(-c2nc3ccccc3c(=O)[nH]2)n(-c2ccccn2)n1 67946884 KUOLBCPTTNEEPK-UHFFFAOYSA-N 346.394 2.764 0 50 EFAA COc1cc(C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)ccc1C 67955996 DDOTWEWVVDWJIZ-QGZVFWFLSA-N 339.439 2.651 0 50 EFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C[C@H]1CCOC1)C1CC1 252476872 CWDPFKFGHWAJMH-RIWOBZSASA-N 333.472 2.735 0 50 EFAA COc1cccc(C[C@@H]2CCCN2CC(=O)N2CCC[C@@H](C)C2)c1 229516087 KNZSSLJGQPDVBQ-AEFFLSMTSA-N 330.472 2.961 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C)c1cccc(F)c1 252517236 CMUMLKZWEPGZEK-WOSRLPQWSA-N 328.453 2.536 0 50 EFAA C[C@H](CC(=O)N1CCC[C@H]1c1nncn1C)c1ccc(F)cc1F 121164362 SXMRGYGOVNFSCJ-ABAIWWIYSA-N 334.370 2.951 0 50 EFAA CC1(C)Cc2c(sc3nc(Cc4ccccc4)n(N)c(=O)c23)CO1 522747 XJSHPISJNHLDSH-UHFFFAOYSA-N 341.436 2.614 0 50 EFAA Cc1nc(S)sc1CC(=O)NCCc1ccc(Cl)nc1 122917300 YSCJTBWBAMWOKM-UHFFFAOYSA-N 327.862 2.690 0 50 EFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 6828826 NHHMVTBQQBVZAR-OKILXGFUSA-N 344.802 2.659 0 50 EFAA Cc1cc(NC(=O)Cc2sc(S)nc2C)ccc1OCCO 123972733 BBXJMPJRWNNMIN-UHFFFAOYSA-N 338.454 2.601 0 50 EFAA CC(C)Oc1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)n1 330618324 XRHNGQSTQHNBHA-LBPRGKRZSA-N 345.365 2.625 0 50 EFAA Cn1cc(NC(=O)c2cccc3c2CCC3)cc(Br)c1=O 155054455 XYPDGXWLWNMPGL-UHFFFAOYSA-N 347.212 2.889 0 50 EFAA CCCNc1ncc(CN2CCC(OCc3ccccn3)CC2)cn1 215206804 QXLYRLCAZZTIJR-UHFFFAOYSA-N 341.459 2.875 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCCN)CCCN1Cc1ccc(F)cc1 71745599 VGUVPIIXIRPHNG-GOSISDBHSA-N 335.467 2.624 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)N(C)Cc1ccc(C)o1 72474902 AKGCUXPKBGLHES-SFHVURJKSA-N 347.503 2.743 0 50 EFAA CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1C[C@@H]4CCC[C@H]4C1)(C3)C2 239760934 CILUUEFGHPNQTR-CRTUIKDQSA-N 330.472 2.720 0 50 EFAA CN(C)CCn1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1 240894739 IPMDDMXPAXCKTJ-LLVKDONJSA-N 347.385 2.639 0 50 EFAA CC/C=C/CC(=O)N1CCC(Oc2ccccc2OC)(C(=O)O)CC1 72417838 YEOUCDIUJPNISJ-SNAWJCMRSA-N 347.411 2.876 0 50 EFAA CN(C(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ncccc1F 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O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)C1CCN(c2ncccn2)CC1 241383241 MTQLUIBCRBCZPZ-HSFUPAIVSA-N 340.471 2.634 0 50 EFAA CCn1nccc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 131162214 ZBIORQCUPBKZCT-UHFFFAOYSA-N 336.399 2.750 0 50 EFAA C[C@@H]([C@H]1COc2ccccc2O1)n1cnc2c(F)cccc2c1=O 43027640 IXZIDUWLYNLZLW-MEDUHNTESA-N 326.327 2.937 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 263581447 XEMSLKASTWNAJP-UPJWGTAASA-N 327.302 2.993 0 50 EFAA CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392319 FANWSXYAMSGNKG-UHFFFAOYSA-N 325.759 2.780 0 50 EFAA NC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl 426438935 TUFZCKMWJWRZJX-LBPRGKRZSA-N 344.242 2.933 0 50 EFAA O=C(Cn1cc2ccccc2n1)N1CCCC[C@@H]1CCn1cccn1 82107874 KUEWHNRKPBOFFY-QGZVFWFLSA-N 337.427 2.704 0 50 EFAA Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 222455040 WLEVBPPDOGGUQU-OFQRWUPVSA-N 333.457 2.659 0 50 EFAA O=C(NCc1cc(C2CC2)n[nH]1)N(CC1CCC1)C[C@@H]1CCCO1 426429056 XESQSPSVDFLJBD-INIZCTEOSA-N 332.448 2.778 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 20993500 GOGQXNGEQKLRTI-HNNXBMFYSA-N 337.514 2.582 0 50 EFAA CN(C[C@H]1COCCO1)c1nncc(-c2ccc3ccccc3c2)n1 20905681 ARESIRPOMYCVHF-KRWDZBQOSA-N 336.395 2.543 0 50 EFAA Cc1cnc(C)c(N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)n1 95365906 AMFCQNLOHQISEQ-IBGZPJMESA-N 328.460 2.855 0 50 EFAA Cc1cc(N2CCN(c3cc(C(C)C)nc(N)n3)CC2)cc(C)n1 91974220 WDQPBUIHUXTBKU-UHFFFAOYSA-N 326.448 2.521 0 50 EFAA Cc1ccc([C@@H](NC(=O)C2(O)CCN(C)CC2)c2cccs2)cc1 97521947 KZWPYWMDOIJJPX-QGZVFWFLSA-N 344.480 2.719 0 50 EFAA CN(C)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cn1 95386023 ZMHFKALJKYSMRP-QGZVFWFLSA-N 340.427 2.620 0 50 EFAA O=C(NCc1ccc2c(c1)CCCO2)c1cnc(-c2ccncc2)nc1 95388435 DZNVSEQVVKTBFP-UHFFFAOYSA-N 346.390 2.794 0 50 EFAA C[C@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)N1CCOCC1 96152039 IBCAXYXZTYEZHG-OAHLLOKOSA-N 340.423 2.611 0 50 EFAA CC(C)CCc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)n[nH]1 334160882 ODADKPKOSPDBQD-CRAIPNDOSA-N 332.492 2.993 0 50 EFAA CC(C)(C)N1C[C@@H](C(=O)NCc2cccc(OC(F)F)c2)CC1=O 91934948 TUPWMUBHILUVFG-LBPRGKRZSA-N 340.370 2.551 0 50 EFAA Cc1ccc(-c2nc([C@H]3CNCCO3)n(CCc3ccccc3)n2)o1 96130967 IHUBEBJIQNFNEI-QGZVFWFLSA-N 338.411 2.750 0 50 EFAA CN(CC1CCN(Cc2ccccc2)CC1)c1cc(C(N)=O)ccn1 95518023 QOZBCXGHPLCXKB-UHFFFAOYSA-N 338.455 2.529 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)CCc2ccccc2C)C1 91738242 MQJZCKWGUJHGIV-IBGZPJMESA-N 333.428 2.658 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CN2CCc3ccccc32)n1 91782036 BGAJIXRNCMIMHF-INIZCTEOSA-N 340.427 2.919 0 50 EFAA C[C@H](NC(=O)C1CCN(C2CCN(C)CC2)CC1)c1ccsc1 97732769 LSDCVGNURBARHH-AWEZNQCLSA-N 335.517 2.732 0 50 EFAA CCCc1cc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2)n(C)n1 95388270 OAVYFGHKJLSMTD-AWEZNQCLSA-N 335.791 2.582 0 50 EFAA CNc1ccccc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 293738578 NZIMGMAPRGCXJJ-AWEZNQCLSA-N 335.411 2.791 0 50 EFAA Cc1nc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cs1 96150482 RPLOGVQSXOWENG-HNNXBMFYSA-N 329.469 2.979 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)c1 97436880 ROMAZZSBFFRYLD-UHFFFAOYSA-N 333.395 2.823 0 50 EFAA Cc1nc(C)c(CC(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)s1 244894061 YZHHQJSBELFUTP-BFQNTYOBSA-N 336.482 2.992 0 50 EFAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CC12CCCCC2 181313544 ISXCQVSFUBQPQD-CQSZACIVSA-N 340.420 2.650 0 50 EFAA O=C(CC1Cc2ccccc2C1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244872780 WEGARMCZXMGQJQ-WFXMLNOXSA-N 336.435 2.815 0 50 EFAA CCCCS(=O)(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244899763 ZPQXMBABJAXVJF-LESCRADOSA-N 348.468 2.766 0 50 EFAA CC(C)(C[C@@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1)C(N)=O 296161119 RYCJJEGESDXQMO-JTQLQIEISA-N 342.361 2.858 0 50 EFAA COc1cc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)ncn1 182144745 SZYIEZJZKKWJSE-CQSZACIVSA-N 330.363 2.863 0 50 EFAA COc1cc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)ncn1 182221855 YXXVBLDLRUTOAY-UHFFFAOYSA-N 346.362 2.700 0 50 EFAA CCOc1cccc(CCNC(=O)N2CC[C@]3(CCCN(C)C3)C2)c1 297339561 OCNUHACKZMGITO-FQEVSTJZSA-N 345.487 2.755 0 50 EFAA Cc1nnc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 183327469 NASLLOFXZGNMOS-UHFFFAOYSA-N 327.413 2.743 0 50 EFAA CC(C)OCCNC(=O)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1 534661921 MPWJKVDXSJPGJG-UHFFFAOYSA-N 344.386 2.746 0 50 EFAA COc1ccc(-c2cccc(C(=O)N3CC[C@H]4CNC[C@H]43)c2)cc1F 299764749 KWAQTDNCRMMTKF-FUHWJXTLSA-N 340.398 2.935 0 50 EFAA COc1ccccc1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 824815290 RZTZHVSXODXGIE-UHFFFAOYSA-N 338.407 2.698 0 50 EFAA Cc1ccccc1OC[C@@H](O)C(=O)NCCCCN1CCCCCC1 827627154 KCDQBWPMFAPXFM-GOSISDBHSA-N 348.487 2.507 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1CN1CCOCC1 822718116 ARFCTJRHEMHTCB-GOSISDBHSA-N 345.487 2.722 0 50 EFAA CCc1noc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C)n1 823569268 BKZBXVGCIIBHDQ-VIFPVBQESA-N 329.809 2.633 0 50 EFAA COc1ccccc1Cc1noc([C@H](C(C)C)N2CCCC2=O)n1 952881968 IGLCHICBFODVAC-KRWDZBQOSA-N 329.400 2.989 0 50 EFAA CC(C)Oc1cccc(C(=O)NC[C@@H]2CC(=O)N[C@@H](C)C2)c1Cl 952876143 CACMLXWKGZZEAD-RYUDHWBXSA-N 338.835 2.772 0 50 EFAA COc1cccc2c1C[C@H](NC(=O)C13CCC(C(=O)O)(CC1)CC3)C2 1875270870 RHSDTTRGJTYOPN-WPUWVODUSA-N 343.423 2.704 0 50 EFAA Cc1c(C(=O)NCCCN2CCCNC2=O)[nH]c2c(Cl)cccc12 1875297248 IHHOQHHLBXODOI-UHFFFAOYSA-N 348.834 2.665 0 50 EFAA O=S1(=O)CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 1875340197 QANSNRXLNFXGDO-UHFFFAOYSA-N 328.393 2.601 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)Nc3cn4cccnc4n3)cc2)n1 1875322683 ASAJUTTZSIKKQR-UHFFFAOYSA-N 346.394 2.843 0 50 EFAA COCCCN(Cc1ccc(OC)cc1)C(=O)[C@]1(C)CC(C)=NO1 952865048 OBJSYEVOGHAKPL-SFHVURJKSA-N 334.416 2.615 0 50 EFAA Nc1nc(CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 952975895 UJXFQQSGAVTBBT-UHFFFAOYSA-N 334.489 2.926 0 50 EFAA Cc1ncsc1CCN(C)C1CCN(C(=O)c2cccnc2)CC1 952873636 MPDOEQJGJNREME-UHFFFAOYSA-N 344.484 2.626 0 50 EFAA Cc1ccc2c(CC(=O)N[C@@H]3CCS(=O)(=O)C(C)(C)C3)coc2c1 888397889 NQGQHVHSBSVKJW-CQSZACIVSA-N 349.452 2.756 0 50 EFAA O=C(c1cc(-n2cccn2)ccn1)N1CCO[C@H](c2ccccc2)CC1 1355193251 LCLGBGWKSNDEOS-IBGZPJMESA-N 348.406 2.871 0 50 EFAA CCN1C[C@](C)(CSc2nnc(-c3ccc(F)cc3)n2C)C1=O 1775993254 XPLMTJAYSNWDBW-MRXNPFEDSA-N 334.420 2.582 0 50 EFAA Cc1ncsc1CN1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 96152680 MIKPWSCMJLTSIG-KSSFIOAISA-N 349.500 2.603 0 50 EFAA CN(C)C(=O)c1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)[nH]1 275674798 VWWODKGBFSACRA-QGZVFWFLSA-N 341.459 2.656 0 50 EFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCS(=O)CC3)s2)c(C)c1 408076214 FHSTYPIDWDMJGT-UHFFFAOYSA-N 348.493 2.940 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1Cc1nc(-c2ccsc2)no1 408516348 LRBGUPZWEMLGBT-QLFBSQMISA-N 349.456 2.550 0 50 EFAA Cc1cc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)c(C)n1C1CC1 169976120 DQPFJUDEKSNCTR-UHFFFAOYSA-N 343.471 2.961 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)CCO1 170604075 HDDGPTPBEBPABQ-VQIMIIECSA-N 331.460 2.723 0 50 EFAA O=C(CCc1c(F)cccc1F)NCc1ccnc(-n2cccn2)c1 170613570 HNZTWRBAXFQPBW-UHFFFAOYSA-N 342.349 2.795 0 50 EFAA O[C@H](CN1CCC(O)(Cc2cccc(F)c2)CC1)c1ccccc1 186944935 SAMXXAGWOJSGRG-LJQANCHMSA-N 329.415 2.929 0 50 EFAA O=C(c1cc(O)c2ccccc2c1)N1CCC[C@@H](Cn2cncn2)C1 280498016 WGZWYBAFNQUOGZ-CQSZACIVSA-N 336.395 2.689 0 50 EFAA COc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)s1 637929332 WOYLJNUYWQYRJH-ZDUSSCGKSA-N 346.456 2.706 0 50 EFAA Cn1cc([C@H]2CSCCN2C(=O)c2cc3sccc3[nH]2)cn1 192223394 BTUOLKVDKHOFGM-CYBMUJFWSA-N 332.454 2.893 0 50 EFAA Cc1ccc(N2CCC[C@@H](Nc3ncnc4onc(C)c34)C2=O)cc1 192467451 PLEZGEUESQRRSI-CQSZACIVSA-N 337.383 2.842 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2nccc3ccccc23)(C(=O)O)C1(C)C 193024007 FLIMMRZXQOSMGT-AUUYWEPGSA-N 342.395 2.623 0 50 EFAA COc1ccc2c(c1OC)C(=O)N(c1cccc(/C=C/C(=O)O)c1)C2 171295 VOROGWJERQAZNC-RMKNXTFCSA-N 339.347 2.962 0 50 EFAA CCN(Cc1cn(C)nn1)C(=O)c1scc(C)c1Br 331164810 SBLNSPBPPZXSGW-UHFFFAOYSA-N 343.250 2.610 0 50 EFAA CSCCN1CCC(Nc2ncccc2C(=O)N2CCCC2)CC1 1704338745 YQPMXVUVMBKNQE-UHFFFAOYSA-N 348.516 2.557 0 50 EFAA CNCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1 1772704411 GAGAZVXAOUGQRK-UHFFFAOYSA-N 335.839 2.519 0 50 EFAA O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccncc1 11814644 JZUFIWPSYGGWKA-KRWDZBQOSA-N 331.379 2.741 0 50 EFAA COc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 12074626 WJJFSAJUEDVDMQ-FQEVSTJZSA-N 328.456 2.920 0 50 EFAA CN1CCC(N2CCC[C@@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 15075475 LVGYOBHBGKISPP-SQFNAUOLSA-N 345.462 2.672 0 50 EFAA COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(N)=O 16622620 QPFJGKGBCAFHGB-UHFFFAOYSA-N 348.424 2.520 0 50 EFAA CCCc1[nH]c([C@@H]2CC(=O)N(CCOC)C2)nc1-c1ccccc1 19787157 IEQONFBJGTWLTM-OAHLLOKOSA-N 327.428 2.992 0 50 EFAA COc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 19789525 ZXNFPIWEJMJACD-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CCCS(=O)(=O)N1CCN(Cc2cccc3ccccc23)CC1 19842771 PMHDTDZMYTXCAD-UHFFFAOYSA-N 332.469 2.697 0 50 EFAA c1ccc(COc2ccc(CNCCN3CCOCC3)cc2)cc1 19872120 WIYUFQKIOHGBKG-UHFFFAOYSA-N 326.440 2.687 0 50 EFAA O=C(c1ccc(Cl)c(F)c1)N1CCCC[C@H]1CN1CCOCC1 153866111 ALHYDVSGNCWBJK-AWEZNQCLSA-N 340.826 2.806 0 50 EFAA Cc1noc([C@H]2CN(CC[C@H]3C[C@@H]3c3ccccc3)CCN2C)n1 1857531953 PSPYJIJGRPDEII-RCCFBDPRSA-N 326.444 2.860 0 50 EFAA COc1cnc(C)cc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 1857673864 LYEFJRLCHIORFG-MRXNPFEDSA-N 341.411 2.615 0 50 EFAA O=S(=O)(CCn1ccnc1-c1cnsc1)c1ccc(F)cc1 1857691735 BMMFPGFABKPWKL-UHFFFAOYSA-N 337.401 2.620 0 50 EFAA OC[C@H]1[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@]23CC[C@H]1O3 1857727505 UQRPKRQLLPMPBS-ZJIFWQFVSA-N 327.346 2.677 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 408474928 ZHEXSKPTHVKHOI-HIFRSBDPSA-N 337.851 2.589 0 50 EFAA C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(N2CCOC2=O)cc1 125529350 MTNVTYAVFGQINL-ZDUSSCGKSA-N 325.368 2.871 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2cc(F)ccc2F)nn1 643891209 RHTIOKBACIODOA-INIZCTEOSA-N 346.381 2.727 0 50 EFAA O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc[nH]n1 345039984 SJPVBMAQMSFJEY-UHFFFAOYSA-N 333.189 2.626 0 50 EFAA C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCCN1Cc1ccccc1 249289766 VFGWUMDRYMDIQI-BJLQDIEVSA-N 345.487 2.644 0 50 EFAA Fc1cccnc1O[C@@H]1CCCN(Cc2cn(C3CCC3)nn2)C1 668076735 UXOSANWRIGYCRY-OAHLLOKOSA-N 331.395 2.581 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1 151036549 KXUXNAAJDIZXJH-GFCCVEGCSA-N 332.835 2.565 0 50 EFAA O=C(c1cc2cccn2cn1)N1CCC[C@H](c2noc(C3CC3)n2)C1 934001679 HELVNJVUJTWCPG-ZDUSSCGKSA-N 337.383 2.615 0 50 EFAA CN(Cc1cnc(Cl)cn1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1857778501 QRCQCUCSSHXWLR-GFCCVEGCSA-N 340.855 2.819 0 50 EFAA O[C@H](COCc1ccccc1)CN1CCC[C@H]1c1noc(C2CC2)n1 257366080 IDEQOOHGMZLVOM-IRXDYDNUSA-N 343.427 2.662 0 50 EFAA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccccc1F 304454 PLWJSOZLWIVTCQ-UHFFFAOYSA-N 331.343 2.501 0 50 EFAA CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC13CCCC3)CC2 2325745373 LUXJGLYYSYZMLZ-ZIAGYGMSSA-N 331.464 2.738 0 50 EFAA Cc1nn(C)c(-n2cncn2)c1C(=O)Nc1ccc2sccc2c1 2325748271 UYTYBRWCGKPNJY-UHFFFAOYSA-N 338.396 2.776 0 50 EFAA N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 2325761518 LSAYGINVZXKNAF-STQMWFEESA-N 344.333 2.561 0 50 EFAA CC1=C(C(=O)OCc2ccco2)[C@H](c2ccc(F)cc2)NC(=O)N1 179348 KNPKSLKXKXPWCJ-HNNXBMFYSA-N 330.315 2.790 0 50 EFAA Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1 416499 JJLHCBSQTPFVHJ-UHFFFAOYSA-N 334.426 2.545 0 50 EFAA COc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCOCC2)cc1 615926 WDPNYKJVSITIAG-UHFFFAOYSA-N 340.423 2.756 0 50 EFAA C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnnn1-c1ccccc1 3292699 TYXADEGBMQDSKO-STQMWFEESA-N 331.445 2.544 0 50 EFAA O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356163459 DULPCJCLVGQRHQ-QPKOPYBWSA-N 343.345 2.501 0 50 EFAA CCC(CC)NC(=O)[C@H]1CN(Cc2ncccn2)c2ccccc2O1 225399348 LBXAPQDXWXRQDB-QGZVFWFLSA-N 340.427 2.549 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(CCn2cccn2)C1 343713246 PGKHIVKEXCRXAL-IUODEOHRSA-N 325.334 2.710 0 50 EFAA O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)C1 343726630 XNCVLAIGMWPMGP-FOIPXRHGSA-N 348.487 2.647 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)Cc1ccccc1OCC(=O)O 55401691 FMLAAMUHIBYNDE-UHFFFAOYSA-N 347.415 2.754 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN(C)CC(=O)NCc1ccccc1F 65454685 GEYXAOSAJKNRGE-UHFFFAOYSA-N 346.450 2.968 0 50 EFAA CCOCC1(CNC(=O)COc2ccc(NC(=O)CC)cc2)CCC1 65461080 SHOWPNDNBCJJPU-UHFFFAOYSA-N 348.443 2.737 0 50 EFAA CC(=O)C1(c2ccccc2)CCN(C(=O)CCCn2ccnc2)CC1 72428998 HQDVRZRUXILMAD-UHFFFAOYSA-N 339.439 2.813 0 50 EFAA COc1ccc(CN2CC[C@@H](CNC(=O)c3cccc(O)c3)C2)cc1 67588006 OYZYOXMFGRYMBT-INIZCTEOSA-N 340.423 2.653 0 50 EFAA Cc1n[nH]c([C@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)n1 20857409 GTVBHJGIXAKBDX-JTQLQIEISA-N 327.413 2.657 0 50 EFAA C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCCO1 229432258 GCDBGZOHAAAKMN-ZNMIVQPWSA-N 337.489 2.752 0 50 EFAA CCc1cc(C(=O)N2CCC(C(=O)O)(n3cc(C)cn3)CC2)cs1 72434437 DZTRGDBKSJMWLR-UHFFFAOYSA-N 347.440 2.532 0 50 EFAA CC(C)N1CCc2nc(CN3CC[C@@H](O)C34CCCC4)sc2C1 353995065 GHWXBCJAQFTUQD-MRXNPFEDSA-N 335.517 2.789 0 50 EFAA Cc1ccc2nc(CN(C)C[C@]3(O)CCCN4CCCC[C@@H]43)[nH]c2c1 67562557 XVVHYEYJCRGPNK-UYAOXDASSA-N 342.487 2.683 0 50 EFAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCc2ccccc21 215326094 XUWATXBOLAUPDA-LJQANCHMSA-N 342.483 2.868 0 50 EFAA Cc1cnc(C)c(N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)n1 12836556 QPCLPVIRWJJFGC-QGZVFWFLSA-N 338.459 2.626 0 50 EFAA Cc1cc(C)n2ncc([C@H]3CC(=O)Nc4cc5[nH]ncc5cc43)c2n1 67847849 JPGVVJJXPDCMRO-LBPRGKRZSA-N 332.367 2.697 0 50 EFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@H]1CCCO1 2780603 XTFXHSYMHQBWEU-VXNVDRBHSA-N 339.745 2.547 0 50 EFAA O=C(NCCc1cnc(C2CC2)nc1)N1CCCC[C@H]1c1cn[nH]c1 253425344 GNOAMTUPIKIZGT-INIZCTEOSA-N 340.431 2.556 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2nc(C)c(C)o2)[C@@H]1c1cnn(C)c1 328649275 UVVQJRPQPZUOLA-QFBILLFUSA-N 345.491 2.930 0 50 EFAA O=C(CCCc1nc(-c2cccs2)no1)N1CC[C@@]2(CCOC2)C1 153776872 JRAFEHFRRCVALK-QGZVFWFLSA-N 347.440 2.760 0 50 EFAA C[C@@H](NC(=O)c1cccc(C(=O)O)n1)c1ncc(-c2ccccc2)o1 362536391 APWYSKAMIXGKQW-LLVKDONJSA-N 337.335 2.926 0 50 EFAA CC(C)(C)c1cc2c(=O)[nH]c(-c3cccc(OCCO)n3)nc2s1 125887213 BQZGZXFVWQDSDS-UHFFFAOYSA-N 345.424 2.715 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 337132052 BRAJJTZHZHMVSZ-ATBMWHHMSA-N 343.467 2.959 0 50 EFAA COCCN1CC[C@H](CN(C)c2cc(C(C)C)nc3cc(C)nn23)C1 72477360 DLCCDFVJUKVRNI-MRXNPFEDSA-N 345.491 2.566 0 50 EFAA CN(C)S(=O)(=O)c1ccc(CN2CC[C@H]3CCCC[C@H]3C2)o1 242147529 WSLDFWRPUBMRRL-KGLIPLIRSA-N 326.462 2.542 0 50 EFAA CCOC(=O)Cc1cnc(N(C)C(=O)/C=C/c2cncc(C)c2)s1 493172739 RWZKVPAYGSKKBB-AATRIKPKSA-N 345.424 2.628 0 50 EFAA CC1CCN(C(=O)COc2ccc(CN3CCSCC3)cc2)CC1 216427531 MPUFJCFKXAPKEX-UHFFFAOYSA-N 348.512 2.873 0 50 EFAA CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 33359535 CDSIZJALLCOWMO-AWEZNQCLSA-N 340.876 2.935 0 50 EFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)O)C2)cc1 237357983 QBUFYLMXOJZYSF-ZDUSSCGKSA-N 340.379 2.986 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 237405722 XGFSWURSWZOMFC-BKVNPXPRSA-N 328.334 2.937 0 50 EFAA Cc1cnc([C@@H](NC(=O)Cc2ccc(C(=O)O)cc2)C2CC2)s1 448986468 IWWDRLPPJQUKFV-HNNXBMFYSA-N 330.409 2.960 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)s1 238017445 JBWXBHXFBBWZCC-GOSISDBHSA-N 343.404 2.760 0 50 EFAA Cc1cc2c(cc1CN1CCN(C3CCSCC3)CC1)OCCO2 215344258 ZHSCMPFYQFWARK-UHFFFAOYSA-N 348.512 2.779 0 50 EFAA CN(C)[C@@H](CNC(=O)N1CCOc2ccccc2C1)c1cccs1 79570822 UJRKCFGDJYYPHD-HNNXBMFYSA-N 345.468 2.955 0 50 EFAA CC(C)(C)c1cnc(SC[C@@H]2CN=C(N3CCOCC3)S2)o1 130010376 SXRPCXUKPNGPEL-NSHDSACASA-N 341.502 2.868 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 130189920 XKCNCZYKEGZCBL-VIFPVBQESA-N 334.342 2.646 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CC(Oc3cccnc3)C2)c1 72469590 KOHDYRYDACOZDW-UHFFFAOYSA-N 340.423 2.689 0 50 EFAA CC(C)(O)c1ccc(CNC2CCN(C[C@H]3CCOC3)CC2)cc1 291409845 GFVQIUIGCNUPAG-QGZVFWFLSA-N 332.488 2.505 0 50 EFAA Cc1ccsc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 223003690 JJJBQEDPTTXYMV-HUUCEWRRSA-N 332.425 2.556 0 50 EFAA Cc1ccccc1CN(CCO)C(=O)N[C@H](C)Cc1ccccn1 426401785 HRQBDMMZKBPODW-MRXNPFEDSA-N 327.428 2.525 0 50 EFAA O=S(=O)(NCc1ccccc1Cn1cccn1)C1CCCCC1 264144050 OQCLTHYASDDJCB-UHFFFAOYSA-N 333.457 2.684 0 50 EFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCc2ccccc21 82098354 ISDCDGYUQXAJIO-OAHLLOKOSA-N 333.391 2.612 0 50 EFAA Cc1cccc2c1OC[C@@H](NC(=O)Nc1cn(C)nc1C1CC1)C2 292073642 OWYFGPBPAKGVAK-AWEZNQCLSA-N 326.400 2.731 0 50 EFAA O=C1CCC2(CCN(c3nccs3)CC2)CN1C[C@H]1CCCO1 91563406 ZDLSTLZLBSJPNJ-CQSZACIVSA-N 335.473 2.531 0 50 EFAA O=C(NCc1ccc(OC(F)F)c(F)c1)C12CCCN1CCC2 294343716 BKMXAKGNWQNFFV-UHFFFAOYSA-N 328.334 2.672 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)C2)cc1 142830624 GKTGAZXSZUWOIC-MRXNPFEDSA-N 340.423 2.923 0 50 EFAA COCCc1noc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 244718989 LURLLYMJWWONSS-HNNXBMFYSA-N 341.415 2.862 0 50 EFAA CC[C@H](C(=O)N(CC)CCc1nc2cc(F)ccc2[nH]1)N1CCCC1 240824918 QMBNVRUHORRHPQ-QGZVFWFLSA-N 346.450 2.967 0 50 EFAA O=C([C@@H]1CCCc2[nH]ncc21)N1CCO[C@@H](CCc2ccccc2)C1 183335265 ROUVQINBHPWWDL-DLBZAZTESA-N 339.439 2.690 0 50 EFAA CN(CCCc1nccn1C)C(=O)Nc1cc(C(C)(C)C)nn1C 299765394 GDJMPDZVGDHMGV-UHFFFAOYSA-N 332.452 2.548 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)N(C)Cc2cnc3ccccc3c2)C1 584900469 NFFNDNNLRIORKF-SFHVURJKSA-N 341.455 2.693 0 50 EFAA C[C@@H](NS(=O)(=O)CC1CCCC1)c1nc(-c2ccccc2)no1 670434666 SHOXLOYJXSIHOL-GFCCVEGCSA-N 335.429 2.907 0 50 EFAA Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2c(C)cccc2Cl)n[nH]1 685940112 RFIQUSRSWKLNEK-LRDDRELGSA-N 348.834 2.511 0 50 EFAA O=C([C@H](O)Cc1ccccc1)N1CCC[C@@H]([C@H](O)c2ccccc2)C1 1875298062 NLQLYKMKIKPGOA-VAMGGRTRSA-N 339.435 2.562 0 50 EFAA COC1(c2noc(-c3c[nH]nc3-c3ccc4c(c3)OCO4)n2)CCC1 1875313169 IROJXDPPZNKYNB-UHFFFAOYSA-N 340.339 2.881 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2[nH]1 952990779 WYQDOKKMVNFYBO-SNVBAGLBSA-N 348.366 2.654 0 50 EFAA COc1cc(NC(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)ccn1 877871588 SJXDMSCDBQLSTD-HNNXBMFYSA-N 349.431 2.732 0 50 EFAA Cc1nccn1-c1ccc([C@@H](C)N2CC(c3cc(CO)on3)C2)cc1 888078939 LKKYVOVAESBXOW-CYBMUJFWSA-N 338.411 2.821 0 50 EFAA Cc1cnn([C@@H]2[C@@H](NCc3cccc(-c4ccccn4)c3)C[C@H]2O)c1 888077272 YOAXWWLNDVPDJB-XUVXKRRUSA-N 334.423 2.718 0 50 EFAA Cc1ccc2[nH]c(C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)cc2c1 888517171 HFWGMJZUUIJLDR-KRWDZBQOSA-N 346.452 2.516 0 50 EFAA C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1 1412708030 RVIOUDQJZZGZRC-ZCFIWIBFSA-N 330.335 2.865 0 50 EFAA O=S(=O)(c1cccc(NCc2cnsc2)c1)C1CCOCC1 1364612693 XRXBDUBOJXGMCS-UHFFFAOYSA-N 338.454 2.708 0 50 EFAA CC(=O)c1ccc(F)cc1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 185782629 DDPVJALPKQIMNB-AWEZNQCLSA-N 344.342 2.843 0 50 EFAA CCc1cccc2c(C(=O)NCc3nnc(S)n3CC)c[nH]c12 170623288 WQMAOYAXAFADRI-UHFFFAOYSA-N 329.429 2.560 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)c1 280317210 UEHPUTASYSMWPM-SJLPKXTDSA-N 331.456 2.706 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)NCc1ccc(Cl)cc1F 187872588 RVEVQDXGFSFVLH-ZDUSSCGKSA-N 337.786 2.654 0 50 EFAA FC(F)C(F)(F)COCCN1CCSC2(CCOCC2)C1 189988897 JYDVRNSQCVHQGX-UHFFFAOYSA-N 331.375 2.501 0 50 EFAA O=C(OCC(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 193696348 JVFIDKJDDPVZOI-UHFFFAOYSA-N 343.305 2.665 0 50 EFAA O=C(Nc1nc2c(s1)CCCCCC2)N[C@@H]1CCc2ncnn2C1 194516728 KGTSEDBVNWXETJ-LLVKDONJSA-N 346.460 2.530 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)O)s2)cc1 659159261 WNYXZZOYAMWXDQ-UONOGXRCSA-N 331.393 2.875 0 50 EFAA CC[C@@](C)(NC(=O)c1cnc(C2CC2)nc1N)c1nc(C)cs1 669170364 QDZDXQSGTDTNPZ-MRXNPFEDSA-N 331.445 2.756 0 50 EFAA O=C(CN1CCOc2cccc(F)c2C1)Nc1nc2c(s1)CCC2 669941278 HKKUZWQULMOYRM-UHFFFAOYSA-N 347.415 2.604 0 50 EFAA Cc1cccc(NC(=O)CC(=O)NCC(C)(C)N2CCC(C)CC2)c1 1506429204 WFULHYYJSHMGSE-UHFFFAOYSA-N 345.487 2.950 0 50 EFAA COc1ccc2c(C)cc(N3C[C@H](O)[C@@H](N4CCCCC4)C3)nc2c1 1506403457 OYVPLBZGPWBRBN-OALUTQOASA-N 341.455 2.587 0 50 EFAA CCc1ccc(CN2CCCN(C(=O)c3cncc(C)c3)CC2)o1 1529185115 JWVPZIWSDSLLAD-UHFFFAOYSA-N 327.428 2.894 0 50 EFAA COc1ccccc1-c1ncc(CN2CCC[C@H]2C2(O)CC2)cn1 1772807697 RYZPHDZZLZGFRR-KRWDZBQOSA-N 325.412 2.642 0 50 EFAA O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NC1CC1 12112330 YNMWXXXMMRUHES-HNNXBMFYSA-N 344.455 2.729 0 50 EFAA CC1(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 12199279 SSHNTBUQSFVHHF-INIZCTEOSA-N 338.411 2.602 0 50 EFAA CCn1cc(CN2CCC(=O)N(Cc3cccc(C)c3)CC2)c(C)n1 14886654 NYBNLUIRKFQHOG-UHFFFAOYSA-N 340.471 2.754 0 50 EFAA CC(=O)Oc1cc(NC(=O)c2ccc(F)cc2)cc(OC(C)=O)c1 16623503 HJZFULRIUCEWBD-UHFFFAOYSA-N 331.299 2.929 0 50 EFAA COC(=O)CC[C@H](C)N1CCc2[nH]nc(-c3ccccc3F)c2C1 19741864 RVLPFENYZHWPAL-LBPRGKRZSA-N 331.391 2.916 0 50 EFAA CCOc1cc(CN2CCN(Cc3cccnc3)CC2)ccc1OC 19853043 PICCHFXKZDCGGH-UHFFFAOYSA-N 341.455 2.807 0 50 EFAA COc1ncc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cn1 1857681519 MHGGCEJWAMCLAO-GOEBONIOSA-N 327.432 2.613 0 50 EFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(c3noc(C4CCC4)n3)C[C@H]21 1857726997 HNHILCHCJTUOEX-SPWCGHHHSA-N 331.416 2.775 0 50 EFAA C[C@@H]1CN2C[C@@H](NC(=O)Nc3ccc(Cl)cc3Cl)C[C@H]2CO1 1857736436 PBTASNXFWMRJOZ-USWWRNFRSA-N 344.242 2.977 0 50 EFAA COc1cc(C(F)(F)F)ncc1NC(=O)N1CCOCC[C@@H]1C 241231303 KTUMBIIPMHVSOV-VIFPVBQESA-N 333.310 2.752 0 50 EFAA Cc1cc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)nn1C(C)C 421189117 ZMCUTCCJVGSIBU-MRXNPFEDSA-N 328.416 3.378 0 50 EFAA Cc1cc(Br)cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 332675099 SPYQQICOKYMNPU-ZDUSSCGKSA-N 334.217 2.768 0 50 EFAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3c[nH]cc(C)c3=O)[nH]c2c1 679181689 WVMZHWSCWCBLLF-MRXNPFEDSA-N 336.395 2.845 0 50 EFAA C[C@@](NC(=O)[C@H]1CCCOC1)(C(=O)O)c1ccc(Cl)c(Cl)c1 263065786 QXHAYACBABZXTE-VFZGTOFNSA-N 346.210 2.836 0 50 EFAA Cc1cncc(N(Cc2ccc(F)cc2)C(=O)[C@H]2OCCO[C@H]2C)c1 905133767 FXKZEKIRQDCANP-KSSFIOAISA-N 344.386 2.866 0 50 EFAA C[C@H](O)COC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 829504658 IBHQFDOAVLGJHX-VIFPVBQESA-N 338.766 2.691 0 50 EFAA COC1(C(=O)NCc2ccc(S(C)(=O)=O)s2)CCCCCC1 935586617 VFMSVLFCHSTJBS-UHFFFAOYSA-N 345.486 2.507 0 50 EFAA O=C(NCc1ccc(Cn2cc(Cl)cn2)cc1)c1cccnc1 4785069 QPKLXGGMUGUSPC-UHFFFAOYSA-N 326.787 2.910 0 50 EFAA CCc1nc([C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n(CC)n1 2100537562 PWGNXQCGBILGAO-MSOLQXFVSA-N 342.443 2.910 0 50 EFAA Cc1coc(CC(=O)O)c1C(=O)N1CCCC[C@@H]1C1CCOCC1 2325811593 AKJNYBHIAYGFGD-CQSZACIVSA-N 335.400 2.636 0 50 EFAA CO[C@H]1CCC[C@H](NCCNc2nccc(C(F)(F)F)n2)CC1 885994040 BEZQKRYVBCYVLK-RYUDHWBXSA-N 332.370 2.845 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 766471 COCHQTMBKQLTMT-GOSISDBHSA-N 330.472 2.926 0 50 EFAA COc1cnccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 2356157599 MOGUKHHKBUIUOA-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 4750595 YASWWLGKMVEHGA-UHFFFAOYSA-N 331.416 2.898 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 4937488 YNVRPECYDKIJMT-UHFFFAOYSA-N 339.420 2.973 0 50 EFAA COC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 4998751 WCZBECCMPJRJAN-UWVGGRQHSA-N 345.226 2.815 0 50 EFAA O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1 6703941 OGHPWGQYQZTHEG-UHFFFAOYSA-N 326.787 2.893 0 50 EFAA CC(C)[C@@H](C)n1nccc1NC(=O)Cn1cnc2ccsc2c1=O 55393210 BPQZPZUTSAJWNF-LLVKDONJSA-N 345.428 2.510 0 50 EFAA COc1ccc2[nH]cc([C@H]3NC(N)=Nc4nc5ccccc5n43)c2c1 1430148 DCMZSUVXBFSDQK-INIZCTEOSA-N 332.367 2.623 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 100708558 HYGYOCNGQGEXPP-KRWDZBQOSA-N 345.395 2.666 0 50 EFAA CC[C@@H](C(=O)NCc1nnc(C)o1)n1cc(C(C)=O)c2ccccc21 55255495 COYYNEILNWFFGB-HNNXBMFYSA-N 340.383 2.803 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2CSc3ccccc32)C1 248821553 FJYZNUOQDOBNIO-KWCYVHTRSA-N 345.424 2.556 0 50 EFAA CC(=O)N1CCC(N2CCO[C@@H](CCCc3ccccc3)C2)CC1 20912122 KBCBRBLTNBXSQF-FQEVSTJZSA-N 330.472 2.721 0 50 EFAA CC1(C)C(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)C1(C)C 72133953 FQKRIZPKKDHYOY-CQSZACIVSA-N 332.419 2.725 0 50 EFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)no1 23058206 BXULJYIMAVCWDM-ZDUSSCGKSA-N 328.340 2.787 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccco1 229296431 ZLSHPBSSTYXDCN-TZMCWYRMSA-N 344.415 2.597 0 50 EFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1ccccc1 252444202 QWBSDTXCIGMGIK-MOPGFXCFSA-N 349.434 2.944 0 50 EFAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1C[C@@H]1CCCO1 12818353 YHMDBRFUOUAQHI-UGSOOPFHSA-N 334.375 2.980 0 50 EFAA biogenic Cc1ccc(CN2C(=O)C(=O)N(OCc3ccc(F)cc3)C2=O)cc1 4060286 SPTPCECLSNYGIP-UHFFFAOYSA-N 342.326 2.557 0 50 EFAA COc1cc(O)cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)c1 253417537 ZCMGBOPHCJGVPO-UHFFFAOYSA-N 344.342 2.919 0 50 EFAA O[C@H](c1ccc(F)cc1)C1CCN(Cc2cn3cccnc3n2)CC1 363089208 AFPWKBLGGCEPIS-GOSISDBHSA-N 340.402 2.814 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2CCCO)C1 328597093 DIUDUOXIDSNMAA-JKSUJKDBSA-N 326.481 2.870 0 50 EFAA CC(C)NC1(CO)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 328598172 KSBJSVDTIFEFFS-UHFFFAOYSA-N 346.393 2.910 0 50 EFAA Cc1scc(C(=O)N2CCOC[C@@H](CO)C2)c1-c1ccccc1 77420456 WHUDLGKAKUDBQS-CQSZACIVSA-N 331.437 2.804 0 50 EFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cccn2C2CC2)C1 328628514 NTKCENUHDBFGFE-OAHLLOKOSA-N 340.427 2.578 0 50 EFAA Cc1ccc(-c2nnc(S)n2CCC(=O)NOC(C)(C)C)cc1 156164612 GXIFANCVFBKTQO-UHFFFAOYSA-N 334.445 2.779 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1CN1CCc2ccccc21 368978484 CSHKKDTYRXGQAS-KRWDZBQOSA-N 338.455 2.623 0 50 EFAA COc1cc(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)ccc1F 283229271 PCKIXMNSPZSTNJ-UHFFFAOYSA-N 346.406 2.574 0 50 EFAA COc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)O)cc1Cc1ccccc1 262391783 AJVNXTWUINPNBJ-JKSUJKDBSA-N 325.364 2.945 0 50 EFAA COCCN1C[C@@H](Cn2ccnc2-c2ccccc2SC)CC1=O 71753314 MUBKHFJVYMLALM-AWEZNQCLSA-N 345.468 2.767 0 50 EFAA CC1(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CCC(=O)CC1 333446652 QSVAFQDPBBCAOG-CQSZACIVSA-N 334.391 2.740 0 50 EFAA OCCCN(Cc1ccncc1)Cc1cc(F)ccc1-n1cccn1 216542508 QKEQOZLWAZSTMA-UHFFFAOYSA-N 340.402 2.791 0 50 EFAA COc1ncc([C@H](C)NC2CCN(c3cccnn3)CC2)cc1Cl 284288301 KEVGFCPPHYBISX-LBPRGKRZSA-N 347.850 2.853 0 50 EFAA CN(C)c1ccnc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 129308888 JVLFLSHNCYCDTI-HNNXBMFYSA-N 327.403 2.992 0 50 EFAA O=C1CC[C@H]2CN(c3cnccn3)CC[C@H]2N1CCc1cccs1 72478147 UEJNQSQOHXIDPQ-GOEBONIOSA-N 342.468 2.598 0 50 EFAA C[C@H](NC(=O)c1cn(C)c2ccccc12)c1cn2ncsc2n1 218860866 SGUCKECYJWXPSM-JTQLQIEISA-N 325.397 2.774 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)c1ccc(Cl)c(F)c1 237963763 ZAEQECWTDXICHD-GWCFXTLKSA-N 329.755 2.538 0 50 EFAA O=C(O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)nc1 238032686 OOALBOFQYAEYSI-UHFFFAOYSA-N 348.280 2.580 0 50 EFAA CCCCc1cn(CC2CCN(C(=O)c3cccnc3)CC2)nn1 48170801 VKVKXDQOYSUSJL-UHFFFAOYSA-N 327.432 2.568 0 50 EFAA O=C(Cc1ccc2ccccc2c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286411600 RKTAJUOQYFOZIJ-AQNXPRMDSA-N 339.435 2.771 0 50 EFAA O=C(NCCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 222427917 JLDWZGLMMQQRNA-DARAHFNDSA-N 333.815 2.912 0 50 EFAA Cc1cc2nc(CCC(=O)NCc3ncc(Cl)cn3)[nH]c2cc1C 426677403 GUGOUQBTJYCNHU-UHFFFAOYSA-N 343.818 2.872 0 50 EFAA CC(C)c1nc(-c2nc(CC(N)=O)nn2-c2ccccc2F)cs1 96150744 ZVEZSCOAWJSCSO-UHFFFAOYSA-N 345.403 2.681 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1COc2ccccc2C1 91587409 XBXHYSKRJDNFEV-CQSZACIVSA-N 327.428 2.917 0 50 EFAA O=C1CCC[C@@H](Cc2nc(COc3ccc(Cl)c(F)c3)no2)N1 293468632 ZQGDROLMNLXNPQ-VIFPVBQESA-N 339.754 2.652 0 50 EFAA COc1cccc(-c2cc(C(=O)NCCCc3ccccn3)[nH]n2)c1 91665005 KHCOWGPIBSJKJT-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(c2ccc(C(F)(F)F)cn2)C1 91943351 NHHBATYMFYFCOQ-AWEZNQCLSA-N 332.322 2.808 0 50 EFAA COc1cc(C(=O)O)cc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)c1 97729729 RDPACIZFCKPOKF-KRWDZBQOSA-N 340.379 2.978 0 50 EFAA CC(C)[C@@H](C(N)=O)n1cc(-c2nc3ccccc3n2C(C)C)nn1 91382163 GIROLJFWLUATKH-HNNXBMFYSA-N 326.404 2.558 0 50 EFAA O=C(NCc1ccc2cc[nH]c2c1)C1CCN(C(=O)C2CCC2)CC1 95386828 IMJIOZUSCHHPPP-UHFFFAOYSA-N 339.439 2.823 0 50 EFAA Cc1ccnc([C@H](NC(=O)c2cc(C)n3nc(C)cc3n2)C2CC2)c1 97698811 RUZHSYFFPMRPHL-GOSISDBHSA-N 335.411 2.931 0 50 EFAA Cc1ccc(CC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 91680758 DSPPCLLSUBQQBK-IBGZPJMESA-N 330.472 2.641 0 50 EFAA Cc1noc([C@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)n1 181136966 MJPCRKKHZIXXPM-ZDUSSCGKSA-N 328.420 2.561 0 50 EFAA CN1C(=O)[C@]2(CCCN(C[C@H]3CC[C@@H](N)CC3)C2)c2ccccc21 243914754 BKIYSUMBOPLEQL-YRNRMSPPSA-N 327.472 2.514 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(-n2ccnc2)cc1 244647124 GVMFMLBNKZDYKB-SZVBFZGTSA-N 348.406 2.509 0 50 EFAA CN(C)C(=O)C1(NC(=O)c2ocnc2-c2ccccc2)CCCCC1 296831168 HOVBSMFULGTSBU-UHFFFAOYSA-N 341.411 2.863 0 50 EFAA CC(C)NC(=O)CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252489557 JTFOEWBTHPIJTK-OAHLLOKOSA-N 339.395 2.774 0 50 EFAA Cc1cc(C)nc(S[C@H](C)C(=O)N(C)Cc2c(C)n[nH]c2C)n1 299784174 ZGPUSRDLYVDUOB-CYBMUJFWSA-N 333.461 2.573 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)NCCc1nc2c(s1)CCCC2 299789894 AFSKHLIRMNEKPL-LBPRGKRZSA-N 332.473 2.837 0 50 EFAA CCn1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)n1 299764260 RBUYWHPGAIRQJV-GOSISDBHSA-N 326.444 2.860 0 50 EFAA Cc1nc([C@H]2CCCNC2=O)n(-c2ccc(Cl)cc2Cl)n1 828307359 CKCXZTNOWFEWBP-SNVBAGLBSA-N 325.199 2.876 0 50 EFAA O=C(NC[C@H](O)Cc1ccccc1)C1(N2CCCC2)CCCCC1 828594362 HWDIQIIYQLVESC-GOSISDBHSA-N 330.472 2.505 0 50 EFAA CCCn1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)n1 823031360 YCOWQVFMFLVAJD-INIZCTEOSA-N 330.432 2.761 0 50 EFAA COc1ccc2ncn(CCc3nc4ccc(C)cc4[nH]3)c(=O)c2c1 584887399 FYHUIYUCSNPFKA-UHFFFAOYSA-N 334.379 2.833 0 50 EFAA O=C(CC1(O)CCCCC1)NCCc1ccc(C(F)(F)F)cn1 952990392 CPAQCAWKWVRUOX-UHFFFAOYSA-N 330.350 2.844 0 50 EFAA O=C(O)c1csc(CN2CCN(C(=O)c3ccccc3F)CC2)c1 1875270519 CEWVEGJWTNRABC-UHFFFAOYSA-N 348.399 2.543 0 50 EFAA Cc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1875254587 KWHQNHNOWQXSPP-CYBMUJFWSA-N 336.382 2.604 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)N(C)CCc1ccc2c(c1)OCO2 1875277922 NWFQOTRGZFMNSZ-UHFFFAOYSA-N 341.363 2.737 0 50 EFAA NCc1ccc2nc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cn2c1 1875277137 LBPXNRPRQJQZKM-OAHLLOKOSA-N 338.386 2.562 0 50 EFAA C[C@@H](O)c1cccc(N2CCCN(C(=O)c3ccsc3)CC2)n1 891941284 VPINKMJFFOGRNO-CYBMUJFWSA-N 331.441 2.549 0 50 EFAA COc1ccc2c(c1)CC[C@H]2C(=O)N=c1cc[nH]cc1OC(C)C 889957062 FMVMALAFOFEJKS-MRXNPFEDSA-N 326.396 2.968 0 50 EFAA c1nc(N2CCC(c3nc4c(s3)CCC4)CC2)c2c[nH]nc2n1 896236213 HGWILXMOSRDMCX-UHFFFAOYSA-N 326.429 2.682 0 50 EFAA CC1([C@H]2CN(C(=O)c3ccccc3C(=O)c3ccccc3)CCO2)N=N1 1775998714 GYOPWWCNUOQRLT-QGZVFWFLSA-N 349.390 2.941 0 50 EFAA O=C(O)c1cccc(OCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 1565510822 WVZGUWUPHRQDEY-SJORKVTESA-N 325.364 2.684 0 50 EFAA CCc1nc(N)cc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 408514150 POEZRAVUDZQXMZ-SNVBAGLBSA-N 340.353 2.678 0 50 EFAA CC1CCC2(CC1)OC[C@@H](CNC(=O)Cc1cccc(O)c1F)O2 408514114 YKSHMWNLBQCKGG-HZEYSBKDSA-N 337.391 2.512 0 50 EFAA C[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C1=CCN(C)CC1 272803778 VFCQSXGIMONIEM-CQSZACIVSA-N 344.455 2.502 0 50 EFAA Cc1nc2ncnn2c(C)c1CCC(=O)NC1(C)CCCCCC1 169974290 AEQYNUVDKXKTTB-UHFFFAOYSA-N 329.448 2.903 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F 189377566 YTHGPEYGYJCQAC-GDBMZVCRSA-N 330.394 2.896 0 50 EFAA CCc1c(N[C@@H]2CCNC2=O)cnn1-c1cccc(C(F)(F)F)c1 192729337 VDCGYCBRPNXWQU-GFCCVEGCSA-N 338.333 2.754 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 663252623 BROPAEPPXJVEBN-QRVBRYPASA-N 328.456 2.503 0 50 EFAA CC(C)N1CC[C@@H](CCNC(=O)c2cc(-c3cccnc3)on2)C1 1418905451 RUCCUHNZFTWKBV-CQSZACIVSA-N 328.416 2.587 0 50 EFAA C[C@@H]1CCOCCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 775595280 GNSWNWYLWIRFDK-GFCCVEGCSA-N 326.400 2.600 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@H]2O)on1 1529189325 MCBQBERQJUZMBK-CRAIPNDOSA-N 346.402 2.507 0 50 EFAA CC(C)[C@@H](Nc1cncc(C(=O)N2CCCC2)n1)c1cccnc1 1529186145 ALZDBLPPXBTCDL-QGZVFWFLSA-N 325.416 2.917 0 50 EFAA CNc1ccnc(N2CCC3(CC2)OCCc2cc(OC)ccc23)n1 1704308861 SJQXBLDGTBRFCS-UHFFFAOYSA-N 340.427 2.595 0 50 EFAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 208276776 VRAZBXMFHOIQOO-IHRRRGAJSA-N 344.480 2.975 0 50 EFAA Cc1nc(C)c(C(=O)N2CCCN(c3nc(C)c(C)s3)CC2)o1 1775980559 ZQUSFYZPXWGSLV-UHFFFAOYSA-N 334.445 2.717 0 50 EFAA CC1(C(=O)N2CCCN([C@H]3CCN(c4ccccc4)C3)CC2)CC1 1772815232 MEQYBFZOKUYTIK-SFHVURJKSA-N 327.472 2.600 0 50 EFAA Cn1cnc2ccc(-n3ccnc3-c3ccccc3OCCO)cc21 1772813877 YNHVCRSHHPAVTQ-UHFFFAOYSA-N 334.379 2.797 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 5094260 JREKHAJLQUWXPL-UHFFFAOYSA-N 342.370 2.559 0 50 EFAA Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC2CCCC2)c(C)c1 5414689 OWWYQUJCDCTMQF-ZDUSSCGKSA-N 345.472 2.819 0 50 EFAA CC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 19770553 YHWFKKKGWXFPER-UHFFFAOYSA-N 337.423 2.603 0 50 EFAA O=C(c1cscn1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857696418 ZJDXPODEWRYCKR-JCKWVBRZSA-N 342.420 2.834 0 50 EFAA CCCO[C@H]1C[C@@H](C(=O)NCCn2ccc3ccccc32)CC[C@@H]1N 1857740636 RTQJDRBWSZPQBV-LNLFQRSKSA-N 343.471 2.680 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CC[C@H](CO)[C@@H](O)C2)cc1 1875248214 DHSRTXNSUINJLP-APWZRJJASA-N 333.472 2.622 0 50 EFAA O=C(Cn1nc2ccccc2n1)Nc1n[nH]cc1-c1cccc(F)c1 1875251296 WJDRPALNWCBZRB-UHFFFAOYSA-N 336.330 2.599 0 50 EFAA COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1 109433991 NMTCDYHBVSJFEO-UHFFFAOYSA-N 345.399 2.649 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@@H](/C=C/c2ccccc2)C(=O)O)CC1 2386690 SJGWOAUBXYMANH-SCOAYWHSSA-N 346.427 2.706 0 50 EFAA in-vitro Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c(=O)[nH]1 118700598 KJQBMLAOLSYYLM-SJORKVTESA-N 342.395 2.618 0 50 EFAA O=C(CN1CCO[C@@H]2CCCC[C@H]21)N[C@@H]1CCCc2ccccc21 230144320 YJYQETDBXUOGQB-GUDVDZBRSA-N 328.456 2.824 0 50 EFAA CCc1cc(C)c(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)o1 328611444 LQVBHMGRBKKGFQ-ZDUSSCGKSA-N 333.388 2.871 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@](C)(C(=O)O)C1 237641567 NGYQCWCXHSLTLR-VFZGTOFNSA-N 329.755 2.570 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ncc(Cl)cc1Cl 336910445 HTAXWWXZRBKXAL-KCPJHIHWSA-N 331.243 2.750 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1C 337152144 MCUGCCABCROBTL-UAGQMJEPSA-N 337.847 2.959 0 50 EFAA CCn1nc(C)c(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c1C 249690800 KXTVHDJSLSDTCB-MSOLQXFVSA-N 327.428 2.820 0 50 EFAA Cc1nc(-c2ccnc(NCc3c(C)nc4sc(C)nn34)c2)n[nH]1 902152228 ZHMXNBSPAMTUBG-UHFFFAOYSA-N 340.416 2.508 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2C(=O)O)cc1 902371493 BIDMVDDMZDAGIE-DLBZAZTESA-N 325.364 2.813 0 50 EFAA CC(C)c1ncsc1C(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C 905905214 VSQIZPGMGBLULD-NSHDSACASA-N 344.502 2.552 0 50 EFAA NCc1ccc2nc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cn2c1 912182359 GADSDSBJMGPGBL-KRWDZBQOSA-N 338.386 2.909 0 50 EFAA C[C@@H]1Cc2cc(CNC(=O)Nc3cnc4c(c3)COCC4)ccc2O1 930754393 VAHWIRYJMBHXRE-GFCCVEGCSA-N 339.395 2.799 0 50 EFAA C[C@@H](C(=O)NCCc1cccs1)N1CCC(c2ncco2)CC1 931449653 BLKAWCDNMNKGHL-ZDUSSCGKSA-N 333.457 2.663 0 50 EFAA CC(=O)N(C1CCCC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 93235 ZXNIPHDTADAUGP-HNNXBMFYSA-N 334.803 2.763 0 50 EFAA Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 117297 OPPWUDGACCNQJI-UHFFFAOYSA-N 343.387 2.747 0 50 EFAA CN(Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCN(c2ccncc2)C1 2325778571 FGEBOEVMMGYFIZ-LJQANCHMSA-N 348.450 2.644 0 50 EFAA Cc1nc(Cl)c(Br)cc1NC(=O)N=c1cc[nH][nH]1 2325840726 NICMFVZWMSQVCS-UHFFFAOYSA-N 330.573 2.595 0 50 EFAA Cc1ccccc1OC[C@H](C)NC(=O)c1ccnn1C(F)(F)F 2332239476 BLEFRQWVXUXREL-NSHDSACASA-N 327.306 2.865 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N[C@@H]1c2ccccc2C[C@@H]1O 126128948 KYFYFYHBYTYTBW-JKSUJKDBSA-N 341.415 2.563 0 50 EFAA COc1ccccc1NC(=O)[C@H]1CC(c2ccccc2OC)=NO1 20601988 NFQAURGVOCVUDU-QGZVFWFLSA-N 326.352 2.836 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1 308686 WOPKEWKIOPZVSV-CYBMUJFWSA-N 344.361 2.952 0 50 EFAA CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1N 1061332 HERFGEYYPMDMKL-UHFFFAOYSA-N 344.440 2.524 0 50 EFAA O=C(NCCc1ccccc1)C(=O)Nc1ccc(Br)cc1 2892181 KESSYKKBKSLWDS-UHFFFAOYSA-N 347.212 2.747 0 50 EFAA CSc1ccccc1C(=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356165242 ZKPRVRXNUUVOCW-HKUYNNGSSA-N 343.448 2.503 0 50 EFAA Cc1cccc(-c2noc(CCCC(=O)NC[C@@H]3CCCO3)n2)c1 4433665 VNBALPSZWXYORU-HNNXBMFYSA-N 329.400 2.663 0 50 EFAA Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)c(C(=O)O)c1 4476940 ITNJMCQEWMWZLB-UHFFFAOYSA-N 336.347 2.920 0 50 EFAA Cc1ccsc1CNCCSc1nnnn1-c1ccccc1 4942979 KZRIMNKJHSNHBN-UHFFFAOYSA-N 331.470 2.914 0 50 EFAA O=C1NCCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccs1 225460405 QMTNEJKAJMPYED-MPGHIAIKSA-N 340.448 2.941 0 50 EFAA COC(=O)c1ccc(NC(=O)c2ccoc2C2CC2)cc1C(=O)OC 225583824 YUDSHAPDXQEEPL-UHFFFAOYSA-N 343.335 2.983 0 50 EFAA O=C(COc1ccccc1F)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225680166 MYVKCCIMVKYIST-GOEBONIOSA-N 333.334 2.678 0 50 EFAA COc1ccc(CC(=O)N(Cc2cnn(C)c2)CC(C)C)c(OC)c1 55342575 QGYDEMFUTORPKZ-UHFFFAOYSA-N 345.443 2.665 0 50 EFAA Cc1[nH]c2nc(C(F)(F)F)nn2c(=O)c1Cc1cccc(Cl)c1 100131673 IPTMGHQYJVNYIL-UHFFFAOYSA-N 342.708 2.989 0 50 EFAA O=C(c1ccccc1)N1CCN(C(=O)c2cc3sccc3[nH]2)CC1 55401439 BHADQRNPEQZAJS-UHFFFAOYSA-N 339.420 2.828 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N[C@@H](C)CCn2cccn2)cc1Cl 55404194 ILLLSVYIQJYQHI-ZDUSSCGKSA-N 348.834 2.769 0 50 EFAA Cc1ccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 20367245 XGJMTQQACDUVGR-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA Cn1cc(N2CC[C@H](N[C@@H]3CCC[C@H]3Cc3ccccc3)C2=O)cn1 248891816 BAGVVZVDPVBCFU-UHOSZYNNSA-N 338.455 2.526 0 50 EFAA O=C(C[C@@H]1CCOc2ccccc21)Nc1ccccc1-n1cnnn1 117611579 CFNNPNFQOLTJEY-ZDUSSCGKSA-N 335.367 2.557 0 50 EFAA Cc1ccccc1CCNC(=O)CCCNC(=O)c1ccsc1 138733082 MRPFXFAKSDBPAJ-UHFFFAOYSA-N 330.453 2.925 0 50 EFAA Cc1c(CNC(=O)CCN2c3ccccc3CC[C@H]2C)cnn1C 119004465 NKWMBLSHABMSFO-CQSZACIVSA-N 326.444 2.576 0 50 EFAA Cc1ccc(-n2nc(C3CC3)nc2CN2CC[C@H](N(C)C)C2)cc1C 65431739 PZPZGRGFOWINSC-SFHVURJKSA-N 339.487 2.897 0 50 EFAA c1ccc(CNc2ncc(CN3CCC[C@]4(CCNC4)C3)cn2)cc1 67697206 NMRUVRKARZRJRD-HXUWFJFHSA-N 337.471 2.664 0 50 EFAA CC[C@H](C(=O)N1Cc2cnc(-c3ccccc3)nc2C1)n1cccn1 67822103 LVLNBUDFJHBIPY-QGZVFWFLSA-N 333.395 2.834 0 50 EFAA CC(C)n1nccc1NC(=O)[C@H](C)N(C)C[C@@H](O)c1ccc(F)cc1 229718253 UUPODGWAIANJMW-XJKSGUPXSA-N 348.422 2.596 0 50 EFAA CCOC(=O)c1cccc(NC(=O)C2CCN(CC(F)F)CC2)c1 252496080 PEVXEELOLSQENA-UHFFFAOYSA-N 340.370 2.779 0 50 EFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CNC(=O)c1ccsc1 252498748 RKGOOBQKBDIVBZ-SNVBAGLBSA-N 334.363 2.667 0 50 EFAA COC(=O)C[C@H]1COc2ccccc2N1C(=O)c1ccc(OC)cc1 5879970 FTZDBSBCCHLFCQ-AWEZNQCLSA-N 341.363 2.666 0 50 EFAA CC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)c2csnc2C)CC1 328651900 WDTVTTAZIFSANZ-HNNXBMFYSA-N 335.473 2.847 0 50 EFAA CCc1[nH]c2c(CNC(=O)[C@H]3CCC(=O)N(C)C3)cc(C)cc2c1C 77438341 TWOMCZFUELNOLC-AWEZNQCLSA-N 341.455 2.832 0 50 EFAA CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1 39333811 GWTINWHKJSKKAE-KRWDZBQOSA-N 329.444 2.782 0 50 EFAA Cc1ccccc1CCc1cc(NC(=O)[C@@H]2CCc3[nH]ncc3C2)[nH]n1 253429740 OOVJXKKTYKNSJA-OAHLLOKOSA-N 349.438 2.970 0 50 EFAA O=C(c1ccnn1CC(F)F)N1CCC[C@@H](Nc2ccccc2)C1 253426946 JITNANGFPSSDQA-CQSZACIVSA-N 334.370 2.865 0 50 EFAA Cc1cccnc1C[C@H](C)NC(=O)Cn1c(=O)cc(C)c2ccccc21 71760092 IJPLSUQEJXDFEF-INIZCTEOSA-N 349.434 2.761 0 50 EFAA COc1ccc([C@@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72156249 QAWRSVZCKNKUCS-IPMKNSEASA-N 336.439 2.552 0 50 EFAA Cc1cnn(C2(C(=O)O)CCN(Cc3ccc(Cl)s3)CC2)c1 77534884 PMOSSZSCHZBDBQ-UHFFFAOYSA-N 339.848 2.982 0 50 EFAA CN(C(=O)/C=C/c1ccccc1OC(F)(F)F)C1CCNCC1 237095598 XDMMLUCJLLOFLH-VOTSOKGWSA-N 328.334 2.809 0 50 EFAA O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC[C@@H](n2ccnn2)C1 333562328 LEBBZGKCDLGJIA-CQSZACIVSA-N 328.420 2.526 0 50 EFAA CC1(C)C[C@H](NC[C@H](O)COc2cccc3[nH]ccc23)C(C)(C)O1 132589636 QIFXQNIQUWSMRA-GUYCJALGSA-N 332.444 2.843 0 50 EFAA c1cc2c(cc1[C@H]1CN(CC3CC3)[C@@H]3C4CCN(CC4)[C@H]13)OCO2 72168866 LMWHUBNZAXKEHD-NSISKUIASA-N 326.440 2.687 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)no1 219047609 HOLOKFHGINLNPD-QGZVFWFLSA-N 341.411 2.541 0 50 EFAA CCc1cc(N2CCC(Oc3ccccc3F)(C(=O)O)CC2)ncn1 72430054 QJFRJWSZXTYZBA-UHFFFAOYSA-N 345.374 2.681 0 50 EFAA OCCOc1ccccc1CN1CC(Oc2ccccc2Cl)C1 72128107 GRYIKLDZDWFJCD-UHFFFAOYSA-N 333.815 2.974 0 50 EFAA Cn1ccnc1CN1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 216299770 MDPDDBHXFQJXSH-INIZCTEOSA-N 346.500 2.651 0 50 EFAA Cn1c(=O)c(CN2CCO[C@@H](c3cccnc3)C2)cc2ccccc21 215220911 LXSHXFZDYYGZMG-LJQANCHMSA-N 335.407 2.507 0 50 EFAA Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCC(C(=O)O)CC1 263083164 RJRSFBRVQSQUJC-UHFFFAOYSA-N 342.399 2.946 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)C1 263037823 CQYHCGJEGLMALQ-GUTXKFCHSA-N 345.395 2.622 0 50 EFAA CCCN1CC[C@@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)C1 341032913 NPAPBTPTOMGMHA-FUHWJXTLSA-N 331.460 2.501 0 50 EFAA COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 241809988 SCEUBFVEJDJWQF-ZUMXRPEOSA-N 337.464 2.731 0 50 EFAA OC[C@@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn23)C1 72411346 DKSVVXPSZNCVBP-CYBMUJFWSA-N 326.375 2.744 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nnc(C)n1C1CC1 285415648 NMJNSFIIXYLLQS-UHFFFAOYSA-N 325.294 2.896 0 50 EFAA COc1ccnc(N2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)c1 285667620 QCPZSPKYSDMBTB-UHFFFAOYSA-N 328.416 2.504 0 50 EFAA O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 287094061 WWASSNCWLNLVGF-GFCCVEGCSA-N 341.498 2.572 0 50 EFAA CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1ccc(C(=O)O)cc1 263390398 FABOCIBKZOIRLN-GOSISDBHSA-N 341.407 2.991 0 50 EFAA O=C(CCN1CCC[C@H]1c1cccs1)NC(=O)NCC(F)(F)F 176988049 BSAIHWWCZNIBTB-JTQLQIEISA-N 349.378 2.663 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@@H]1Cn1ccnc1C 177171085 TWQUMBRBZCSMSN-QGZVFWFLSA-N 327.428 2.824 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc2cc(C)ccc2n1 20607779 VDSDONLPKIWRMX-INIZCTEOSA-N 335.367 2.597 0 50 EFAA C[C@H](NCc1cccnc1-n1cccn1)c1ccc2c(c1)OCCO2 177905258 GHJBZNWDAMPRIF-AWEZNQCLSA-N 336.395 2.889 0 50 EFAA O=C(c1ccc(-c2ncnc3ccsc23)cc1)N1CCCNCC1 426432149 YAGSHUYYYWZVJS-UHFFFAOYSA-N 338.436 2.794 0 50 EFAA O=C1CC[C@]2(CCCN(C3CCCCC3)C2)CN1CCc1c[nH]cn1 82167017 LZNLBCGBHPURCZ-FQEVSTJZSA-N 344.503 2.990 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)c3cccc(OC(C)C)n3)C2)n1 179026036 HNDKKHFLMVHAMG-ZDUSSCGKSA-N 330.388 2.580 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)c2cnc3sccn3c2=O)c(C)s1 91894134 RUXNEOPNTVCOLZ-MRVPVSSYSA-N 348.453 2.663 0 50 EFAA CCOc1ccc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)o1 95525977 ZDWOQHHRIFBYMW-GFCCVEGCSA-N 331.368 2.668 0 50 EFAA CCCOCCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 95366562 RJVCBHBFUUSTLG-GOSISDBHSA-N 330.472 2.894 0 50 EFAA Cc1cc(C)n(-c2cccc(-c3nccc(N4CCC[C@@H](O)C4)n3)c2)n1 426584697 MLIGASYFZGNKCT-GOSISDBHSA-N 349.438 2.907 0 50 EFAA c1cnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)nc1 95500665 YIIBOIDETVKZTR-CYBMUJFWSA-N 326.429 2.562 0 50 EFAA CN1CCN([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 97601020 PDQNVGSNGUSHDI-MRXNPFEDSA-N 327.394 2.527 0 50 EFAA CN1CCN(Cc2noc([C@]3(c4ccc(F)cc4)CC3(C)C)n2)CC1 95359280 ATUYENLOXMWTDY-LJQANCHMSA-N 344.434 2.672 0 50 EFAA CCN1C[C@@H](C(=O)NCCSc2ccc(Cl)cc2)CCC1=O 91552047 JXMBYKLGKSVQKP-LBPRGKRZSA-N 340.876 2.807 0 50 EFAA O=C(O)c1ccccc1CN1CC[C@@H](Cc2cccc(CO)c2)C1 91657028 VGBUXYVUXXNCHF-INIZCTEOSA-N 325.408 2.942 0 50 EFAA COCCCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCCCN1C 95387601 UAQKQPDYPDUCQB-LJQANCHMSA-N 348.487 2.935 0 50 EFAA CN1CCCCC[C@H]1C(=O)N(CCCO)Cc1ccc(Cl)cc1 95369188 MJDCHQXLSBSFIA-KRWDZBQOSA-N 338.879 2.925 0 50 EFAA COc1ccc2c(C)c(C(=O)NCc3nc(CSC)no3)oc2c1 92028047 ATLYVRRHLIOXMX-UHFFFAOYSA-N 347.396 2.926 0 50 EFAA COc1ccccc1N1CCC(NC(=O)c2csnc2C)CC1 181879722 TYBOOYNLOSTGJF-UHFFFAOYSA-N 331.441 2.859 0 50 EFAA Cc1cc(O)ncc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299744597 TUQWIWUFOFJXMP-GUYCJALGSA-N 330.359 2.742 0 50 EFAA C[C@@H]1CCc2c(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)csc2C1 184524442 IDTYVUUUSZUUDC-SNVBAGLBSA-N 341.436 2.973 0 50 EFAA CCc1c(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)[nH]c2ccccc12 299798555 SXUVHYRHLGHSBO-ASUYLVSUSA-N 342.439 2.875 0 50 EFAA CN(CC(=O)NCCCc1nc2cc(F)ccc2[nH]1)C1CCCC1 299767621 MJBVQQOCRVNRMP-UHFFFAOYSA-N 332.423 2.625 0 50 EFAA Cc1cnc(CNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)cn1 299803181 ZJACORMHKNMIPM-CQSZACIVSA-N 326.404 2.660 0 50 EFAA CN(C[C@H]1COCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 299768417 JJALSZHRCNKMJU-AWEZNQCLSA-N 333.413 2.689 0 50 EFAA Cc1nc(-c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc43)cc2)n[nH]1 827811569 OOYWYWLGDSEMKE-MRXNPFEDSA-N 347.378 2.593 0 50 EFAA CSCC[C@H](NC(C)=O)c1ncnn1Cc1cccc(Cl)c1 824912931 UHTPUWBQSXMBFO-AWEZNQCLSA-N 338.864 2.910 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2ccc(CN3CCCC3)o2)on1 821483437 ZQGOZLDSGYGOOC-UHFFFAOYSA-N 331.416 2.992 0 50 EFAA COCC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 863947978 YJWCZJGOWMLLAR-GOSISDBHSA-N 325.408 2.560 0 50 EFAA COc1cccc(N2CCC(N3CCC[C@@H](c4nc[nH]n4)C3)CC2)c1 670469579 LTXDYKXIZIYPKP-OAHLLOKOSA-N 341.459 2.662 0 50 EFAA Cc1nn(C)c(Cl)c1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 269783576 WEOUZRCSQJDYAE-NHYWBVRUSA-N 341.789 2.968 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NCc3c(C4CC4)cnn3C)C2)o1 952890174 OFUFXGCDOGWLRS-OCCSQVGLSA-N 329.448 2.744 0 50 EFAA Cc1nn(C)c(N)c1C(=O)N[C@@H]1CCCc2ccc(OC(C)C)cc21 952845288 PZNNGROMRAUARY-MRXNPFEDSA-N 342.443 2.905 0 50 EFAA CC(C)[C@H](c1nc(-c2ccc3nccnc3c2)no1)N1CCCC1=O 952993419 HBKPLSWGFWCRKN-MRXNPFEDSA-N 337.383 2.999 0 50 EFAA CNS(=O)(=O)c1ccc(N2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 1875255404 VKSZNEHACRPXRC-STQMWFEESA-N 326.437 2.750 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875289216 YQQCBZPZKVWUCX-QMCVQRASSA-N 349.862 2.616 0 50 EFAA O=C(CCc1cccc(O)n1)N=c1cc(C2CCCCCC2)[nH][nH]1 1875290430 FGEQIGDDSBCNNY-UHFFFAOYSA-N 328.416 2.941 0 50 EFAA Cc1cc(Oc2ccccc2)nc(N2CC[C@@H]3CCNC(=O)[C@@H]3C2)n1 1875288094 NFSRKFHNTQAEGM-GOEBONIOSA-N 338.411 2.540 0 50 EFAA O=S(=O)(Nc1cnc(C2CCC2)nc1)c1c[nH]c(C(F)(F)F)c1 1875298706 KWQJPNBLJAXBED-UHFFFAOYSA-N 346.334 2.892 0 50 EFAA C[C@@H]1C[C@@H](C(=O)N2CCCc3nc(Br)ccc32)CO1 1328640564 VKHNCGZFMYJAKF-NXEZZACHSA-N 325.206 2.548 0 50 EFAA CCCCNC(=O)[C@H](CC)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 1875344181 GVJYTJSDUYPMBL-DOMZBBRYSA-N 340.851 2.918 0 50 EFAA CCn1nc(C)c(NC(=O)C(=O)N2CCc3cc(Cl)ccc32)c1C 888097460 KQBXTNPQNBXRDC-UHFFFAOYSA-N 346.818 2.701 0 50 EFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@]34COC[C@@H]3C4)c12 894195069 WEXPWXHWYADMAG-DJJJIMSYSA-N 335.363 2.717 0 50 EFAA Cn1cc([C@]2(CNc3nc(C4CC4)nc4c3CCC4)CCCO2)cn1 1775281130 AZMUUAOOYLSOME-LJQANCHMSA-N 339.443 2.694 0 50 EFAA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1n[nH]cc1Cl 1775985361 BRNUQFDJQTWTOL-BTKVJGODSA-N 325.821 2.634 0 50 EFAA O=C(O)c1ccccc1CN1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565516554 YYBXRYWKVVDMJA-YOEHRIQHSA-N 342.439 2.608 0 50 EFAA CCCc1cc(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)no1 1361474611 COGHOCJRJJQGDB-UHFFFAOYSA-N 349.412 2.747 0 50 EFAA CCn1c(C)cc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1C 275350391 LROYPZKGYTWWKG-OAHLLOKOSA-N 346.431 2.845 0 50 EFAA Cc1ccsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 275631325 JPBUVTAZAHCHNU-STQMWFEESA-N 334.420 2.536 0 50 EFAA C[C@@H](C(=O)N1CC2(CCCC2)c2cccc(Cl)c21)S(C)(=O)=O 170612208 ANNAJWKEPLASMS-NSHDSACASA-N 341.860 2.932 0 50 EFAA Cc1cc(C(=O)N(CCO)Cc2ccccc2)nn1-c1ccccc1 170623927 HNUYRWPDADPYNX-UHFFFAOYSA-N 335.407 2.815 0 50 EFAA CCN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)c2ccccc21 171892684 GMALSSJVMXCGSC-UHFFFAOYSA-N 335.411 2.763 0 50 EFAA O=S(=O)(C[C@H]1CCCO1)Nc1ccc(Oc2ccncc2)cc1 171807455 DHSBUHGQJBLBDY-MRXNPFEDSA-N 334.397 2.795 0 50 EFAA Cn1ccnc1[C@@H]1CCN(Cc2nnn(-c3ccccc3)c2C2CC2)C1 639176168 CUHLXXFUMGODQG-MRXNPFEDSA-N 348.454 2.868 0 50 EFAA Cc1csc([C@@H]2COCCN2c2nccc(C(F)(F)F)n2)n1 189137444 ACKRGEMAQYLVDJ-VIFPVBQESA-N 330.335 2.838 0 50 EFAA CCCc1cc(NC(=O)Nc2ccn(Cc3ccncc3)n2)n(C)n1 192418963 UCEPEPHNWYYBCG-UHFFFAOYSA-N 339.403 2.656 0 50 EFAA CCc1noc2ncc(C(=O)NCc3ccccc3-n3ccnc3)cc12 194282342 CCLQNXUQQLNLIB-UHFFFAOYSA-N 347.378 2.901 0 50 EFAA CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337945 HSNLXWVMLUWJID-OUAUKWLOSA-N 341.238 2.980 0 50 EFAA COc1c(F)cccc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775983584 ZYOLHNGJTQDJMS-SFHVURJKSA-N 329.375 2.678 0 50 EFAA O=C1C[C@H](Sc2ncn[nH]2)C(=O)N1c1cc(Cl)ccc1Cl 5996067 GRSLQFXFLLOBHW-VIFPVBQESA-N 343.195 2.536 0 50 EFAA O=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 11946055 YPHBVTCOTFXBDN-SFHVURJKSA-N 348.406 2.553 0 50 EFAA CN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCC1=O 12165308 DAFISXFNKOPFME-UHFFFAOYSA-N 326.371 2.797 0 50 EFAA CCCCOc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl 16625841 GLNCSZNPFIQHLH-LBPRGKRZSA-N 347.864 2.976 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1 19211544 KEMZQRCDNLRUCY-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccccn1)CC2 1857668494 RAHVTZCGPHFLQT-UHFFFAOYSA-N 332.407 2.723 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(c1ccnc3ccc(Cl)cc13)C2 1857669642 DSXXQGSADWCSEL-APPDUMDISA-N 332.787 2.816 0 50 EFAA Cc1cccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)c1Br 248737710 XSDQQBVSCNVFHQ-JOCQHMNTSA-N 341.249 2.860 0 50 EFAA O=C(N[C@@H]1CCC[C@H](O)C1)c1cccnc1OCc1ccccc1F 225625669 UFECVPICJGYVHR-CABCVRRESA-N 344.386 2.833 0 50 EFAA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccnc2c1ncn2C 367277754 KEEFCPVOPLBIEX-CYBMUJFWSA-N 335.411 2.844 0 50 EFAA Cc1cccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1F 262412915 LRTXITPCCYHNOW-AVGNSLFASA-N 341.404 2.541 0 50 EFAA O=C(c1cncc2ccccc12)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262871914 BKYXQFOOKNMVEP-OAHLLOKOSA-N 338.285 2.714 0 50 EFAA CC(C)N(CC(F)F)S(=O)(=O)c1cn(C)nc1C1CCCC1 907054610 ZRSBVFBFMMAOFI-UHFFFAOYSA-N 335.420 2.742 0 50 EFAA O=C(Nc1cc(CO)ccn1)[C@H]1CCN(c2ccccc2Cl)C1 911237539 UHFLVTGIYXLOFY-ZDUSSCGKSA-N 331.803 2.692 0 50 EFAA O=S(=O)(CCc1noc2ccccc12)N1CCc2cc(F)ccc21 1668841426 FMJOJJJNONEXHS-UHFFFAOYSA-N 346.383 2.902 0 50 EFAA CN(Cc1ccn(-c2ccccc2)n1)c1nc(N)nc2c1CCCC2 825611161 OFTZTSFSUXXPST-UHFFFAOYSA-N 334.427 2.760 0 50 EFAA Cn1nc(C2CC2)cc1CNC(=O)c1cc(F)ccc1-n1cccn1 1262344146 XDUNJXLYZDMFSB-UHFFFAOYSA-N 339.374 2.552 0 50 EFAA CO[C@H](C(=O)NCc1cnn(C)c1C)c1ccccc1C(F)(F)F 935111577 RSWFLOYQBNVGTJ-AWEZNQCLSA-N 341.333 2.751 0 50 EFAA C[C@@H]1COCC[C@@H]1CNC(=O)c1noc2c1CCc1ccccc1-2 935955745 SWHJTZJHORHTJI-TZMCWYRMSA-N 326.396 2.843 0 50 EFAA CN(Cc1ccccc1CC(=O)O)[C@@H]1CCN(c2ccccc2)C1=O 846243405 AVDICAAVTSGSHJ-GOSISDBHSA-N 338.407 2.551 0 50 EFAA N=c1[nH]c2cccc(C(=O)N[C@@H]3CC(=O)Nc4ccccc43)c2s1 2100483945 UGQNGFPARQHNPU-CYBMUJFWSA-N 338.392 2.522 0 50 EFAA COC(=O)c1sc2ncc(CN(C)Cc3cn[nH]c3)cc2c1C 2325720185 DIFRYIUEAWCLRV-UHFFFAOYSA-N 330.413 2.746 0 50 EFAA COC1CC2(CCN(S(=O)(=O)c3cc(C)cnc3Cl)CC2)C1 2325891173 VHOIWUNIIYJUIJ-UHFFFAOYSA-N 344.864 2.623 0 50 EFAA Cc1ccc(-c2nc(CC(=O)NCc3nc(C)c(C)[nH]3)cs2)o1 896921683 DGGNRXWXZIEDDD-UHFFFAOYSA-N 330.413 2.910 0 50 EFAA O=C(Nc1n[nH]c2c1COCC2)c1cnc(-c2ccccc2)s1 1471831901 URVNEBTXTLDURW-UHFFFAOYSA-N 326.381 2.858 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 176571 WNESZXKWXXPKIR-ZDUSSCGKSA-N 338.835 2.944 0 50 EFAA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)c(F)c3)nc2n1 815236 ITUKYMNICRSFMT-UHFFFAOYSA-N 339.252 2.901 0 50 EFAA COC(=O)[C@H](CC(=O)c1ccc(Br)cc1)n1cccn1 4851763 NWUJMJBIAWNDDT-LBPRGKRZSA-N 337.173 2.633 0 50 EFAA O=C(CSc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 4954824 AVLIABGQCATQTA-UHFFFAOYSA-N 331.349 2.814 0 50 EFAA CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1OCC 4999110 XVJALFOPXNOOPX-UHFFFAOYSA-N 325.386 2.556 0 50 EFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccc(C)[nH]c1=O 55310270 NEJBSGOHYOWGPW-UHFFFAOYSA-N 338.411 2.573 0 50 EFAA CCCCn1c(=O)c2c(nc3n([C@H](C)CC)c(C)c(C)n23)n(C)c1=O 10104220 MCBBEKUOKNOXFJ-LLVKDONJSA-N 345.447 2.537 0 50 EFAA C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2F)C1 10544121 PQIGMTCDNGBJJV-GJZGRUSLSA-N 342.480 2.613 0 50 EFAA Cc1c(F)cccc1NC(=O)CSc1nnnn1-c1ccccc1 9189680 AVQUGVTUAWDJQY-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA Cn1cc(-c2noc(-c3cncnc3-c3ccccc3)n2)ccc1=O 347121861 QQXXFTSWEHZLII-UHFFFAOYSA-N 331.335 2.559 0 50 EFAA CSCC(=O)NC[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 67975627 WNAHISZBJXFLKF-HNNXBMFYSA-N 331.485 2.859 0 50 EFAA CCCN[C@@H](C)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 423990140 HIOBKGNFZBNNFM-AWEZNQCLSA-N 333.451 2.567 0 50 EFAA CNCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67688334 QBMWDWCHPRRHDB-UHFFFAOYSA-N 346.814 2.653 0 50 EFAA c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 67787418 SYDZMRCLWVQUMF-UHFFFAOYSA-N 337.427 2.663 0 50 EFAA Cc1ccccc1Cn1cnc(NS(=O)(=O)c2ccc(F)cc2)n1 2780985 JYJIGDZERXEVDZ-UHFFFAOYSA-N 346.387 2.575 0 50 EFAA COc1ccc(C2=NO[C@H](C(=O)Nc3cccnc3Cl)C2)cc1 5028995 FFYKOFZPUGLWOG-AWEZNQCLSA-N 331.759 2.875 0 50 EFAA Cn1ccnc1[C@H](O)[C@H]1CCCN(c2cncc(-c3ccccc3)n2)C1 253420409 VBCUONTWEOIMRL-QFBILLFUSA-N 349.438 2.827 0 50 EFAA CC1(C)COc2c(C(=O)N3CCC[C@H](Cn4cncn4)C3)cccc21 253425603 DGXJXIBGSFQQST-AWEZNQCLSA-N 340.427 2.501 0 50 EFAA CC[C@H]1Oc2cc([C@H](C)NCc3nnc(C)s3)ccc2NC1=O 253417727 ALQBMHDFMNTWEI-TVQRCGJNSA-N 332.429 2.807 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2oc(C3CC3)nc2C)c1 282305104 BMPBQTHONNCZMC-HOCLYGCPSA-N 342.395 2.817 0 50 EFAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccnn1C1CCCC1 330073798 KQQLEYFXKDNEBJ-UHFFFAOYSA-N 345.424 2.580 0 50 EFAA Cc1cnc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)s1 172724300 KAIBFPGFYNXGFG-WMLDXEAASA-N 343.452 2.677 0 50 EFAA C[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@@H]1n1ccnc1 124889230 AMYKOSYDEZJDCI-HIFRSBDPSA-N 329.448 2.637 0 50 EFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCCC[C@H]1Cn1cncn1 257365286 DITVJDMLONJPLW-ZBFHGGJFSA-N 338.415 2.944 0 50 EFAA Cc1ccccc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2O)n(C)n1 153551947 MIEMWHHQJKEYRS-GDBMZVCRSA-N 328.416 2.821 0 50 EFAA N[C@@H](CC1CCCCC1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 32590462 ZFVTVGXGIASKTE-SFHVURJKSA-N 349.519 2.535 0 50 EFAA Nc1n[nH]c(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)c1Cl 216124240 CKANVCMEWAEEAS-CYBMUJFWSA-N 345.765 2.699 0 50 EFAA NCCc1cccc(CN2CCCN(C3Cc4ccccc4C3)CC2)c1 77387750 UCZLPLRREPWUBH-UHFFFAOYSA-N 349.522 2.863 0 50 EFAA Oc1ccc(Br)c(CN2CCOC[C@H]2[C@H]2CCCO2)c1 377710054 ZTFMQSVDIQZUGI-LSDHHAIUSA-N 342.233 2.535 0 50 EFAA COc1cc(OC)c(CCN[C@@H]2CCCc3c2cnn3C)c(OC)c1 157151203 YYDXWFPQTWJMAQ-MRXNPFEDSA-N 345.443 2.656 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 237956217 ANPCZJHRRDAGMX-VIFPVBQESA-N 332.183 2.695 0 50 EFAA Fc1ccccc1-c1cc(NCCCn2cnnc2)n2nccc2n1 72477412 CBINOQQLYAOOQO-UHFFFAOYSA-N 337.362 2.629 0 50 EFAA Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2cccc(F)c2)cn1C 72142142 IUMPEGDCCYYVPT-OAHLLOKOSA-N 337.420 2.784 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1Cc1ccc(Oc2cnccn2)cc1 284498373 GYSFTFVYFZVHFQ-RDJZCZTQSA-N 329.400 2.505 0 50 EFAA COc1ccc(CN(C)C(=O)NCc2noc(CC(C)C)n2)cc1 426530578 VAQONNMRBFFJPU-UHFFFAOYSA-N 332.404 2.618 0 50 EFAA Cc1cc(C)c2c(CC(=O)NCCN3CCCOC3=O)coc2c1C 426412355 HYLDWUFENOUITL-UHFFFAOYSA-N 344.411 2.859 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)N(C)C2CCOCC2)cc1 426423168 YQYPCBTXTUHAAB-UHFFFAOYSA-N 328.416 2.501 0 50 EFAA O=C([C@@H](c1ccccc1)C1CCCC1)N1CC(N2CCOCC2)C1 220464474 QPDHMDJDWXOXPK-IBGZPJMESA-N 328.456 2.503 0 50 EFAA CNC[C@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 178967656 HIANUMNZRPLTHJ-GFCCVEGCSA-N 333.432 2.555 0 50 EFAA Cc1ccc(C(=O)NCCCc2nc(C)c(C)s2)cc1OCCN 426613537 CWFNCSUNCWFMTR-UHFFFAOYSA-N 347.484 2.768 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](n3cncn3)C2)cc1 179470793 KKBLATALBKHNIP-INIZCTEOSA-N 338.415 2.514 0 50 EFAA Cc1nc(CN2CCN(C3Cc4ccccc4C3)CC2)c2ccccn12 97775636 KUSZKJMRBGVEER-UHFFFAOYSA-N 346.478 2.928 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@]2(CCNC2)C1 333572723 MRIYAWVLSMONOV-HXUWFJFHSA-N 340.471 2.804 0 50 EFAA c1cnc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc1 95500664 YIIBOIDETVKZTR-ZDUSSCGKSA-N 326.429 2.562 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)c1ccccc1-n1cncn1)CC2 95388512 YXQVVTAEXYNNOB-UHFFFAOYSA-N 348.406 2.517 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nc(C)c(C)s1)C2 91986061 XXRLGZBCHYSUTM-AWEZNQCLSA-N 346.452 2.679 0 50 EFAA COc1cccc([C@@H]2CN(c3cc(C)ccn3)C[C@H]2C(=O)O)c1OC 91643899 CAASKBWXDHYXFQ-LSDHHAIUSA-N 342.395 2.712 0 50 EFAA CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccoc2C)CC1 181287642 ARIINCRBNQJCRV-LBPRGKRZSA-N 325.430 2.870 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95360220 USFKFFWDCPLXEG-OAHLLOKOSA-N 327.384 2.621 0 50 EFAA CCc1csc(CNC(=O)[C@H]2COc3c(cccc3OC)C2)n1 91877260 JERVUIWOURCGKM-GFCCVEGCSA-N 332.425 2.582 0 50 EFAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCNC(=O)CC1 296620402 BJZOGEAHBWKMTN-UHFFFAOYSA-N 342.374 2.550 0 50 EFAA O=C1Nc2ccccc2CC[C@@H]1N1CC[C@@H](OCc2ccncc2)C1 298485799 JIFLTYAGULUIFF-MJGOQNOKSA-N 337.423 2.626 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)c3ccn(-c4ccccc4)n3)c2)n1 183724511 MRPMDXJEWALUIK-UHFFFAOYSA-N 344.378 2.920 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCO1 299749526 KPGNCSBQCTYBAF-INIZCTEOSA-N 347.317 2.557 0 50 EFAA Cn1cc(Cl)c(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)n1 825635692 VLXZUNXKXSZVSR-NSHDSACASA-N 338.864 2.529 0 50 EFAA CC[C@H](NC(=O)Cc1cc(C)ccn1)c1ccc(S(C)(=O)=O)cc1 584893555 BOOUKNSSVVWRKP-KRWDZBQOSA-N 346.452 2.604 0 50 EFAA c1ccc(-n2nnnc2N2CCCN(C3CCCCC3)CC2)cc1 670449214 STEZAOHGRBWYLM-UHFFFAOYSA-N 326.448 2.507 0 50 EFAA CC[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F 670461986 FEKDCCGLVSJGNZ-NSHDSACASA-N 347.362 2.659 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1 269191490 OIUALOLHCPDERM-WBVHZDCISA-N 325.364 2.740 0 50 EFAA C[C@@]1(NC(=O)c2cc(-c3ccccc3O)[nH]n2)CCCC[C@H]1C(=O)O 874962377 CSLLUZOJSBIRHG-KPZWWZAWSA-N 343.383 2.546 0 50 EFAA CCc1cnc(O)c(C(=O)N[C@H](C)[C@H](O)c2cccc(Cl)c2)c1 1875267790 NZZWZEARKJISCB-BMIGLBTASA-N 334.803 2.855 0 50 EFAA CC1(C)CN(S(=O)(=O)/C=C/c2ccc(F)cc2)Cc2c[nH]nc21 1875382364 YZMKRMXUUTXNDN-BQYQJAHWSA-N 335.404 2.643 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1 1875365331 PQIWJAUIFAVYEQ-CQSZACIVSA-N 348.393 2.705 0 50 EFAA Cc1ncccc1C(=O)NC[C@H]1CN(C(=O)C2CC2)Cc2ccccc21 1875336117 SLIMZILYKMXQRL-KRWDZBQOSA-N 349.434 2.656 0 50 EFAA COc1ccccc1[C@]1(C)C[C@H]1N=c1[nH]c(Cl)nc2c1COCC2 1875394978 DOYITLBFJVHXEE-QAPCUYQASA-N 345.830 2.775 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cnc3c(Cl)cccc3c2)cn1 1875378712 JHKAPHGUTKPKFZ-JLCFBVMHSA-N 328.803 2.885 0 50 EFAA CC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1occc1C1CC1)OC 1875344135 FLNRYRVKJLDEDJ-BMFZPTHFSA-N 348.443 2.739 0 50 EFAA CC(=O)N1CCC[C@H](c2nnc(-c3nc(C)c(C)nc3C)o2)[C@@H]1C 886084685 ZSTMZYQGCVHLBD-JSGCOSHPSA-N 329.404 2.566 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1Cc1csc(C(F)(F)F)n1 894734577 HQTNUSKJQXSUQX-SNVBAGLBSA-N 342.408 2.561 0 50 EFAA Oc1cc(N2CC[C@@H](Nc3cccc(Br)c3)C2)ncn1 1776007125 HZEFGXKKOVQZPS-GFCCVEGCSA-N 335.205 2.636 0 50 EFAA Cc1ccc(C[C@@H](C)NC(=O)[C@H](C)n2nnnc2C(C)(C)C)s1 272308251 YRXOEUGFMBNHMP-PWSUYJOCSA-N 335.477 2.649 0 50 EFAA CC1(C)C(=O)N[C@@H]1c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 665178731 IJMFORUOQUTSOJ-MRXNPFEDSA-N 329.421 2.954 0 50 EFAA Cc1nc2c(n1[C@H]1CCN(C[C@@H](O)Cc3ccccc3)C1)CCCC2 275298560 MQVAQBFDQCOEDK-OALUTQOASA-N 339.483 2.921 0 50 EFAA C[C@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ncnn1C 276967222 SVTHTTGRPQRBHH-ZDUSSCGKSA-N 345.422 2.680 0 50 EFAA Fc1cccc2c(N3CCN(CC(F)(F)C(F)F)CC3)ncnc12 302896449 PBBYWVNDVOYXAU-UHFFFAOYSA-N 346.303 2.791 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CC[C@@H](Oc2cccnc2)C1 170604500 BZIYTCQKNIQTOM-OAHLLOKOSA-N 332.425 2.533 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@@H]1COCCN1Cc1nc(-c2ccsc2)no1 408516351 LRBGUPZWEMLGBT-SOUVJXGZSA-N 349.456 2.550 0 50 EFAA CO[C@@H]1CC[C@@H](C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)C1 667814378 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LJMPSSSROHYACP-SFHVURJKSA-N 335.363 2.832 0 50 EFAA COC(=O)c1cccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 12093833 YKGKGZRVXGOATM-GOSISDBHSA-N 339.391 2.557 0 50 EFAA Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nc1O 13465104 SQMJJNQEOZZWIS-UHFFFAOYSA-N 332.429 2.914 0 50 EFAA CC[C@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13710952 YXJTTXSNKRNDLU-MRXNPFEDSA-N 338.473 2.680 0 50 EFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NC(C)C)C2 14733286 PCEOOHPPNMCNMI-OAHLLOKOSA-N 332.492 2.630 0 50 EFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NC(C)C)CC2 14755209 XQWVKBNSTNQPLC-HNNXBMFYSA-N 332.492 2.678 0 50 EFAA CO[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 15000835 GDJZRLZEPOAGFU-CVEARBPZSA-N 336.819 2.665 0 50 EFAA COc1cccc(CN2CCC[C@]3(CCN(C(C)C)C3)C2=O)c1OC 15061874 JKOAAKLAYFJGOF-HXUWFJFHSA-N 346.471 2.927 0 50 EFAA Cc1nc(-c2cccc(C(=O)NCc3nc4ncccc4o3)c2)no1 1857677166 QYUAYFHXSVRTSE-UHFFFAOYSA-N 335.323 2.511 0 50 EFAA CCc1ccccc1CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857723378 DGQSKTQOCZHFCJ-GXRSIYKFSA-N 337.463 2.818 0 50 EFAA COCc1ccc(C(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)cc1 737833873 AVBHUTXGIUQWCV-OAHLLOKOSA-N 335.306 2.667 0 50 EFAA C[C@@H](Oc1cccnc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 117602660 KKCMFNQFMDUPHO-LLVKDONJSA-N 347.802 2.843 0 50 EFAA FC(F)CN1CCC(c2nc(-c3ccn4cncc4c3)no2)CC1 350295084 BWEMWIDJIALVCM-UHFFFAOYSA-N 333.342 2.829 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C1CC1 252510468 ZLMDEWJCJFCSBA-UHFFFAOYSA-N 346.412 2.635 0 50 EFAA CC(C)(C)[C@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 253401048 SZKDRBQXLWXOKD-CYBMUJFWSA-N 340.470 2.745 0 50 EFAA O[C@H]1C[C@H](c2cccc(F)c2)N(c2ncncc2Br)C1 253623498 XHZAJFWPACXCQT-WCQYABFASA-N 338.180 2.691 0 50 EFAA CN1CCN(Cc2cccc(NCc3cccc(C(=O)O)c3)c2)CC1 263438344 CXJUPFSYATUDKY-UHFFFAOYSA-N 339.439 2.744 0 50 EFAA COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)[C@H](C)CSC 161710048 XCFSSYKVURGUQG-AMIZOPFISA-N 349.374 2.776 0 50 EFAA O=C1[C@@H](c2nc(-c3cnsc3)no2)CCN1Cc1ccccc1 904133673 VAFFTRNZMZDQEA-CYBMUJFWSA-N 326.381 2.709 0 50 EFAA FC(F)(F)c1cccnc1NCc1cc(O[C@H]2CCNC2)ccn1 818627184 PNNGPBSQBMPKJJ-ZDUSSCGKSA-N 338.333 2.848 0 50 EFAA CN1CCC2(CCC(NC(=O)Cc3c[nH]c4ncccc34)CC2)CC1 823769847 IFVOLSOZQLRVMS-UHFFFAOYSA-N 340.471 2.876 0 50 EFAA C[C@@H]1Cc2cc(C(=O)NC[C@H](C(=O)O)c3ccc(F)cc3)ccc2O1 851604703 DPADOLHATQRIGL-BZNIZROVSA-N 343.354 2.747 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@H]([C@H](C)O)C2)c1Br 120880459 JYFMGGJBGTXFNI-QWRGUYRKSA-N 327.222 2.992 0 50 EFAA C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H](C)N1 153750443 IZMSAALUDPWRSA-RYUDHWBXSA-N 325.250 2.591 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1cccc2c1nnn2C 2325805871 ASBXEBUGQXRCRY-APWZRJJASA-N 349.482 2.969 0 50 EFAA CCc1c(NC(=O)c2ccc3c(Br)cnn3c2)cnn1C 2325840658 KJVRMPRASSTAKH-UHFFFAOYSA-N 348.204 2.645 0 50 EFAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@H]1CCCCO1 2325842063 NGRSGCWRASQTPZ-CHWSQXEVSA-N 333.363 2.552 0 50 EFAA N[C@]1(c2ccccc2)CCN(C(=O)Cc2cccc3cnccc23)C1 2325857298 WJYZCTSXRGGHQY-OAQYLSRUSA-N 331.419 2.864 0 50 EFAA CC(C)c1nc2ccccn2c1NC(=O)N[C@@H]1CCn2ccnc2C1 933760937 ZYUIFQSSTDTUKM-CYBMUJFWSA-N 338.415 2.791 0 50 EFAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C 293595 LYDVKJBWLIXPBX-UHFFFAOYSA-N 345.468 2.909 0 50 EFAA Cc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 608928 HBPAPUXYHLPPHY-UHFFFAOYSA-N 333.298 2.637 0 50 EFAA CCOc1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 1006661 POXPCOBIXSYZBC-UHFFFAOYSA-N 334.397 2.709 0 50 EFAA O=C(c1ccccc1F)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 1235576 TZKNKNPMHFYONG-CQSZACIVSA-N 331.368 2.783 0 50 EFAA CCOCCOC(=O)CSc1ncnc2sc(C)c(C)c12 1778588 RISFUNXTYPCQFT-UHFFFAOYSA-N 326.443 2.980 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(c3nc4c(cc3C(=O)O)CCC4)C[C@H]21 2356137510 NXRSIHNIJBJSSC-OHNRDTAOSA-N 330.428 2.646 0 50 EFAA Cc1ccc(-c2cnc3cncc(N4CCC(O)CC4)n23)c(F)c1 2356143876 ZDDWMMSFMRZNTM-UHFFFAOYSA-N 326.375 2.805 0 50 EFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2ccccc2F)CC[C@H]1O 2356163200 RPTZANJHCJQLNM-CRAIPNDOSA-N 337.391 2.540 0 50 EFAA Cn1c(=O)n(C)c2cc(CNC34CC5CC(CC(C5)C3)C4)ccc21 4993738 MXLONGWPSNJRFV-UHFFFAOYSA-N 325.456 2.935 0 50 EFAA Cc1nc2ccc(C(=O)NCc3ccc(-n4ccnc4C)nc3)cc2o1 225401493 BMRJDNQCYFOGFM-UHFFFAOYSA-N 347.378 2.955 0 50 EFAA CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1nccs1 246734185 VYAYQWINCYHBRH-ZBUFRBDWSA-N 343.518 2.973 0 50 EFAA C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)C(=O)N1CCCC[C@H]1C 246732470 PQQYYKVZVKZQIL-OWCLPIDISA-N 344.455 2.849 0 50 EFAA CC(C)[C@H](NS(=O)(=O)c1ccccc1F)c1nnc2ccccn12 20715305 MDOHKTVZVFDSHW-HNNXBMFYSA-N 348.403 2.544 0 50 EFAA Cc1ccc(NC(=O)CC(=O)NCCNc2ncccc2C)c(C)c1 55154130 VOTUGJGDQBDMEB-UHFFFAOYSA-N 340.427 2.564 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1nnc(-c2ccc(Cl)cc2)o1 344380350 HGQQXSLNUGKMNQ-UONOGXRCSA-N 337.807 2.626 0 50 EFAA CC1=C(C(=O)Nc2cccc(-n3c(C)nnc3S)c2)CCCO1 134551903 NBVYTTVCWZDWIL-UHFFFAOYSA-N 330.413 2.887 0 50 EFAA CN(Cc1cnn(-c2ccccc2)c1)Cc1nc(-c2cccnc2)no1 54611358 LJSQSQSBJRPSOK-UHFFFAOYSA-N 346.394 2.949 0 50 EFAA Cc1nc2c(N[C@@H](CCn3cncn3)c3ccccc3)ncnc2o1 55307061 CSYZJHIDENRKBK-AWEZNQCLSA-N 335.371 2.761 0 50 EFAA CCc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 101431941 FWEIHCQBUIRECI-HZPDHXFCSA-N 326.396 2.529 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N[C@@H](CCO)c2ccc(C)cc2)cc1 65405493 PRQJLOLQXHZJLG-SFHVURJKSA-N 340.423 2.872 0 50 EFAA COc1cccc([C@@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72161231 OQDGIFYKBAFZHQ-IPMKNSEASA-N 336.439 2.552 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nn1 65362363 FZQUIOZIGRWTCO-UHFFFAOYSA-N 325.416 2.756 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCN2CCCC[C@@H]12 229856024 OSXXCOUFVWPTTG-AEFFLSMTSA-N 339.439 2.936 0 50 EFAA CCc1csc(CNC(=O)c2ccc(N[C@H]3CCSC3)nc2)n1 20207818 WPVYYHYDVDPBJR-ZDUSSCGKSA-N 348.497 2.948 0 50 EFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N1Cc2ccc(Cl)cc2C1 331572345 WFKBKNZFWZKYPF-HNNXBMFYSA-N 335.835 2.765 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ccc[nH]2)C1 252515146 HOUZWSTUQXMDIW-PZSTVFCCSA-N 337.489 2.941 0 50 EFAA CN(C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328644017 RNNFJIUUEJEWJG-SXLOBPIMSA-N 343.446 2.879 0 50 EFAA Cc1noc([C@H](NC(=O)c2ccc3[nH]ccc3c2)C2CCOCC2)n1 328609390 DCFMPMYHAITLJJ-MRXNPFEDSA-N 340.383 2.757 0 50 EFAA CCc1noc2ncc(S(=O)(=O)NC3CCC(F)(F)CC3)cc12 332589131 FOKJWVYIFDOBIN-UHFFFAOYSA-N 345.371 2.641 0 50 EFAA Cc1ccc([C@H](NC(=O)c2ccc(=O)n(C)c2)c2cccnc2)c(C)c1 215185695 PSWBOVWWAPZXRH-HXUWFJFHSA-N 347.418 2.917 0 50 EFAA CCOc1nc(Cl)ccc1C(=O)NC[C@@](C)(O)c1cccs1 253421595 YNPHITHJKARNFD-OAHLLOKOSA-N 340.832 2.833 0 50 EFAA Cc1cnc(CNC(=O)Nc2cccc(CN3CCCCC3=O)c2)o1 253427135 LDMNFBSXRYNKMC-UHFFFAOYSA-N 342.399 2.817 0 50 EFAA CN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 36565618 VFWKIFMJHJGHRN-UHFFFAOYSA-N 340.379 2.658 0 50 EFAA CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)s1 36352844 SEKNUNGCWAMHLR-OCCSQVGLSA-N 344.440 2.820 0 50 EFAA CCc1cc(N2CCN(Cc3ccccc3F)CC2)n2nccc2n1 72428855 HLMYNIKRIWJUPZ-UHFFFAOYSA-N 339.418 2.753 0 50 EFAA CC(C)(C)c1ccc2c(c1)CN(C(=O)C[C@H]1CCC(=O)NC1)CC2 456012257 SMYSKYJJGPZLOF-CQSZACIVSA-N 328.456 2.785 0 50 EFAA 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333.251 2.901 0 50 EFAA CO[C@H](C1CC1)[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 408520738 VEFGNOKTXPYUCK-BZNIZROVSA-N 331.441 2.677 0 50 EFAA Cc1ccc(C(=O)Nc2cnn(C(C)C)c2)cc1N1CCOCC1 630901250 ZFXCFOGMKQHSCZ-UHFFFAOYSA-N 328.416 2.861 0 50 EFAA CSC[C@@H](C)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275500619 ANNHSCRHTJVRAO-WBVHZDCISA-N 335.517 2.894 0 50 EFAA COc1cc(C)cc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)c1C 278896744 JLODDOQZUZECRR-HNNXBMFYSA-N 343.431 2.848 0 50 EFAA COc1ccccc1CCN(C)C(=O)[C@H]1COc2ccccc2C1 171530161 BFOXBQMFZFYOLI-QGZVFWFLSA-N 325.408 2.947 0 50 EFAA CN1C(=O)CCc2cc(CN3CCSC4(CCOCC4)C3)ccc21 187404285 CZUYDGGZTGEUSE-UHFFFAOYSA-N 346.496 2.694 0 50 EFAA CCCCS(=O)(=O)Cc1nc2sc(C(C)(C)C)cc2c(=O)[nH]1 190419087 DQFFBEKKTTXRLW-UHFFFAOYSA-N 342.486 2.997 0 50 EFAA CCCOc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)c(C)c1 191018420 FLATUEOZJIEMAD-INIZCTEOSA-N 343.431 2.710 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1C 192960180 HTMUKPWZKNGLML-CYBMUJFWSA-N 326.352 2.663 0 50 EFAA Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1Cl 193735093 LZIVNMKAQJUPAA-UHFFFAOYSA-N 338.860 2.628 0 50 EFAA CCC1(CO)CCN(C(=O)NCc2ccc3ncccc3c2)CC1 194568137 LPIIEMCYXQELOC-UHFFFAOYSA-N 327.428 2.929 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)[C@H]2CCO[C@H]21 1074610554 VNQIQUMZAYJELC-WZPWBUNQSA-N 328.412 2.564 0 50 EFAA CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)C1 652389923 OJICQKRSYNYXLL-SMDDNHRTSA-N 345.226 2.720 0 50 EFAA O=C(O)[C@@H](c1ccsc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 659797280 KLFVVJDHTOWECE-GVDBMIGSSA-N 331.437 2.972 0 50 EFAA CC1CCC(OC2CCN(C(=O)C3(C(=O)O)CC=CC3)CC2)CC1 663071019 VSVBXLNOCJOJDB-UHFFFAOYSA-N 335.444 2.994 0 50 EFAA CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccnn1C 1506406889 HCQVIVRRFASUGF-GFCCVEGCSA-N 343.836 2.512 0 50 EFAA COc1ccc(/C=C/CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1 1800414960 ZAYZMGNIHUWUBH-RCAFFNEUSA-N 331.412 2.522 0 50 EFAA O=C1OCC2=C1[C@H](c1ccc(O)cc1)CC(=O)N2c1ccc(F)cc1 5240760 LKDVLWSIZOKVOX-HNNXBMFYSA-N 339.322 2.863 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3ccccc3Cl)C2)C1=O 12443111 WITOTSNCCXCZML-SFHVURJKSA-N 336.863 2.801 0 50 EFAA CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1 13646213 IMDXZELLAHADLO-HNNXBMFYSA-N 328.453 2.759 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](CCc2ccccc2)C1 14965850 TYBBZUMEUBZOJL-QGZVFWFLSA-N 339.391 2.889 0 50 EFAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCCc1nc(-c2ccccc2)no1 16527279 KOAFBNYULDRENR-GJZGRUSLSA-N 337.379 2.620 0 50 EFAA Cn1ccnc1CN1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 19771193 UUWKMXYFRHENBJ-OAHLLOKOSA-N 328.464 2.581 0 50 EFAA Cc1noc(C)c1CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 169751767 BMYWJSBFSMCXIT-UHFFFAOYSA-N 345.418 2.754 0 50 EFAA Cn1cc(-n2nc(C3CCCC3)nc2-c2cc(C3CC3)n(C)n2)cn1 1857671900 WBLGLPMQIBTIIH-UHFFFAOYSA-N 337.431 2.936 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1OC 153352178 YDICVFSHEMMOCU-GHMZBOCLSA-N 326.824 2.570 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1OC 153352296 YDICVFSHEMMOCU-QWRGUYRKSA-N 326.824 2.570 0 50 EFAA COc1c(C(=O)O)cc(-c2ccc3c(c2)OCO3)c(OC)c1OC 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UMYLMBRSJOYFGU-UYAOXDASSA-N 343.446 2.965 0 50 EFAA O=C(O)c1cccc(Cc2cnc(NC(=O)[C@@H]3CCCO3)s2)c1 910628187 DXPVYDSTHBVWDH-ZDUSSCGKSA-N 332.381 2.550 0 50 EFAA CCOc1cccc(CCC(=O)NC[C@H]2CCC3(CCOCC3)O2)c1 832429142 RCFVISWIVVPOFV-GOSISDBHSA-N 347.455 2.862 0 50 EFAA CCOc1ccc(CN(C(=O)c2ccnc(OC)n2)C(C)C)cc1 931061555 JSAOEQQRKCWCEM-UHFFFAOYSA-N 329.400 2.935 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(Cc3n[nH]cc3C)CC2)n1 931840851 SGKXRWDCPNJPMS-WBVHZDCISA-N 345.447 2.584 0 50 EFAA CN(C)C1CCC2(CC1)CCN(C(=O)[C@H](O)c1ccccc1)CC2 854676098 BESUYSNGUYHMQS-GOSISDBHSA-N 330.472 2.833 0 50 EFAA Cc1nc(C)c(C(=O)N=c2[nH][nH]c3nccc(-c4ccccc4)c23)o1 2100483853 TWVOROUXLRVESU-UHFFFAOYSA-N 333.351 2.904 0 50 EFAA O=C1C[C@@H](NCCc2cccs2)C(=O)N1c1ccc(Cl)cc1 20406797 YUVJPKJLFYOHMG-CQSZACIVSA-N 334.828 2.866 0 50 EFAA O=C1CCC[C@H](Sc2nnnn2[C@H]2CCOC2)c2ccccc21 2325772725 VWGFMHADMQNZST-NHYWBVRUSA-N 330.413 2.835 0 50 EFAA O=C(c1cccc(-c2ccc(F)cc2)n1)N1CCC[C@H]1C1OCCO1 2325791737 APHBZGPSPPMHQC-KRWDZBQOSA-N 342.370 2.865 0 50 EFAA CC(C)N(Cc1nn[nH]n1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 2325807401 XKFKJLQJUHHZDL-NXEZZACHSA-N 337.786 2.533 0 50 EFAA CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 102896 UWKPLICGJDAJHG-UHFFFAOYSA-N 344.436 2.530 0 50 EFAA C[C@@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccccc1 313681 FMTKXHSPFCGXGY-CYBMUJFWSA-N 339.424 2.632 0 50 EFAA CCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2C)c2ccccc21 447340 CTOJEFBTRYBCST-HNNXBMFYSA-N 333.391 2.626 0 50 EFAA O=Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 614008 KJXKWJDHFZPLLG-ZDUSSCGKSA-N 327.311 2.597 0 50 EFAA O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCc2ccccc21 4820902 FUVCQLLVBHTCQM-UHFFFAOYSA-N 334.375 2.933 0 50 EFAA C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1 4942780 JLZLSAYURDVGSD-JSGCOSHPSA-N 330.359 2.669 0 50 EFAA COc1ccc(OC)c(C(=O)N(C/C=C/c2ccccc2)CCO)c1 55052730 BIJUMCUOACEMED-RMKNXTFCSA-N 341.407 2.852 0 50 EFAA CN(C)c1ccc(S(=O)(=O)N2CCCCc3ccccc32)cn1 225744222 PXTUOCIJPQFXBR-UHFFFAOYSA-N 331.441 2.679 0 50 EFAA Cc1cc(C(=O)NCc2nnc3n2CCCC3)c2ccc(F)cc2n1 53903797 HKJALWRFLXOIRB-UHFFFAOYSA-N 339.374 2.540 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2C(C(C)(C)C)=C[C@]21C(C)(C)C 104293673 OBANCIHWQWFCQW-WZFJYNIESA-N 329.444 2.649 0 50 EFAA Cc1nc(CN2CCCN(C(=O)Nc3ccncc3)CC2)cs1 116405369 GBBTYQZXNBSFGF-UHFFFAOYSA-N 331.445 2.586 0 50 EFAA O=C(C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1)c1ccco1 67757880 NSFTVCDBHFRDFY-ZDUSSCGKSA-N 337.335 2.876 0 50 EFAA CC(C)CNC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67878953 OPWQTWYWNSNUGK-HXUWFJFHSA-N 332.488 2.909 0 50 EFAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1-c1ccco1 67742809 ORRWCWDAWASSLT-WMZOPIPTSA-N 341.455 2.717 0 50 EFAA O=C(Nc1cnc2n1CCCC2)c1ccc(-c2ccccc2)[nH]c1=O 67804395 LBYKDPKUWHRVFA-UHFFFAOYSA-N 334.379 2.827 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@@H](C(=O)O)C1 136134420 CNXLYUZNUCXIFO-LLVKDONJSA-N 334.397 2.577 0 50 EFAA Cn1cc(CN2CCC(Cn3cc(-c4ccsc4)nn3)CC2)cn1 23379797 YPIILOFDWPOHDR-UHFFFAOYSA-N 342.472 2.652 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)COc2cccnc2)cc1 67947657 DRYMERJZWVITKF-IBGZPJMESA-N 339.439 2.886 0 50 EFAA COc1ccc2cc(C(=O)N(C3CC3)[C@H]3CCNC3)c(C)nc2c1 423456248 NQVIPFBPTAIPCE-HNNXBMFYSA-N 325.412 2.518 0 50 EFAA COc1cccc2c1OC[C@H](NCc1cc(OC)c3c(c1)OCO3)C2 23340532 XLEBDICIUVMPGY-CQSZACIVSA-N 343.379 2.526 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1F 281724757 BQKMAEROIZARKG-RDJZCZTQSA-N 347.361 2.850 0 50 EFAA CCOc1cc(/C=C/C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)ccc1OC 252517451 IVNVTCOFVMXBMR-LAPKZGOLSA-N 345.439 2.630 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc2nc(N(C)C)oc2c1 252511566 HZSMCBUDPVEWAZ-JSGCOSHPSA-N 343.431 2.594 0 50 EFAA Cc1csc([C@@H](C)N(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)n1 215380609 UHASKZBKQRGFKM-LLVKDONJSA-N 342.424 2.532 0 50 EFAA O=C(NCc1cccc2[nH]ccc12)c1cnc(-c2cccnc2)nc1 67947301 JRRVHYWCNFGXGQ-UHFFFAOYSA-N 329.363 2.950 0 50 EFAA Cc1ccc(-c2cc(CN3CCC[C@@]4(CNC(=O)O4)C3)on2)cc1 72166806 BJXWNSXURXWEOC-GOSISDBHSA-N 327.384 2.724 0 50 EFAA COCc1c(C(=O)NCc2nc3ccc(C)c(C)c3[nH]2)noc1C 71613772 XDROMWFPOMQUPO-UHFFFAOYSA-N 328.372 2.553 0 50 EFAA Cc1cc([C@H]2CCCN2S(=O)(=O)N(C)C)ccc1Br 253429803 DIFMVSGJXLIHEB-CYBMUJFWSA-N 347.278 2.701 0 50 EFAA Cc1cc([C@](C)(O)CNC2CCN(C(=O)c3ccoc3)CC2)c(C)o1 253416934 RWJKJLRSKKUQKI-LJQANCHMSA-N 346.427 2.591 0 50 EFAA OC1(CNC2CCN(Cc3ccccc3)CC2)Cc2ccccc2C1 363556623 KRMHYKSASKWPAH-UHFFFAOYSA-N 336.479 2.771 0 50 EFAA O=C(c1ccccc1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72475034 OUDONZXKBRTUEB-UHFFFAOYSA-N 343.354 2.964 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 366949711 AFCFPTALYKCPMZ-OAHLLOKOSA-N 331.416 2.722 0 50 EFAA CC1=CCCN(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 369172281 AJBYXCUCIBIVGR-AEFFLSMTSA-N 328.460 2.654 0 50 EFAA C[C@H](CCO)CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 240886195 INQLDPPYTPUCQX-SCDSUCTJSA-N 341.249 2.623 0 50 EFAA COC[C@@H](C)n1ccc(NC(=O)N2CCC(c3nccs3)CC2)n1 240902815 IVNBJLUIWWBRCK-GFCCVEGCSA-N 349.460 2.959 0 50 EFAA O=C(CN1CCC[C@H]1C(=O)O)N[C@H](c1ccc(F)cc1)C1CCCC1 262686765 YCNCXINTQFXGTN-WMZOPIPTSA-N 348.418 2.722 0 50 EFAA O=C(CCCC1CCOCC1)N1CCC[C@@](O)(C(F)(F)F)CC1 376479195 WYLCJGCWDDXNJL-HNNXBMFYSA-N 337.382 2.889 0 50 EFAA Cc1ccccc1C1(O)CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 376494430 FKZMPDSMVMPPOT-INIZCTEOSA-N 329.440 2.764 0 50 EFAA CCN(C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)[C@H](C)CS(C)(=O)=O 242339090 ZEVFFFFLHJIRMM-UMVBOHGHSA-N 341.473 2.617 0 50 EFAA COc1cccc(S(=O)(=O)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 131810685 MHEWKWRHMMPZKR-XJKSGUPXSA-N 339.457 2.506 0 50 EFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cncc(F)c1 132472077 FYDBFKMIIFDANU-INIZCTEOSA-N 327.403 2.815 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(OCC(F)(F)F)c(F)c1 288706004 DYQMEFRKNXTUSR-VIFPVBQESA-N 348.296 2.764 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1CCN(Cc2cccnc2)CC1 20467226 MHTZHLYANHSYAH-UHFFFAOYSA-N 332.354 2.710 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2cnc(C)cn2)CC1(C)C 82107817 LHSCEJMHXMNREH-UHFFFAOYSA-N 340.427 2.535 0 50 EFAA Cc1ccc(OC[C@H](C)NC(=O)c2cc(F)ccc2OCCN)cc1 426545111 SEGDPNDKYAHTEL-AWEZNQCLSA-N 346.402 2.669 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](CO)Cc2ccc(Cl)cc2)n(C)n1 82086970 GUCUPPKSBKVGBI-MRXNPFEDSA-N 349.862 2.605 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@H](c3ncon3)C2)c(-c2ccccc2)n1 426533828 SXTAWSGIHYHNND-HNNXBMFYSA-N 349.394 2.855 0 50 EFAA CCc1ccc(-c2cc(C(=O)NCc3cnn4cccnc34)n[nH]2)cc1 426488503 SUBKLSKVDDMOGC-UHFFFAOYSA-N 346.394 2.612 0 50 EFAA Cc1ccc2nccc(N3CCC(N4CCC(O)CC4)CC3)c2c1 95388533 LEWZPHSHSDPTCK-UHFFFAOYSA-N 325.456 2.969 0 50 EFAA COc1ccccc1OC1CCN(c2cccc(C(=O)O)n2)CC1 95510851 PMZCLNHJDCTNQM-UHFFFAOYSA-N 328.368 2.836 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cnc(-c2cccs2)nc1O 91304174 SEYSIWWAWFVWDQ-UHFFFAOYSA-N 340.408 2.968 0 50 EFAA CN(C)c1ccccc1-c1ccc(C(=O)N2CC[C@H]3CNC[C@H]32)cc1 426635504 QIJNISFHSKRUSM-FXAWDEMLSA-N 335.451 2.854 0 50 EFAA CC1(C)CN(C(=O)c2cccc(-n3cnnc3)n2)C[C@H]1c1ccccc1 426493352 ZLZVFZCYTKINHL-INIZCTEOSA-N 347.422 2.928 0 50 EFAA COc1ccc([C@@](OC)(OCCN2CCCCC2)C(C)(C)O)cc1 96027270 UNUVDLHYSKGQCJ-LJQANCHMSA-N 337.460 2.768 0 50 EFAA CCc1ccc(-c2cc(C(=O)NC3(C(=O)O)CCCC3)n[nH]2)cc1 426618080 FYOSQEIDAZASEK-UHFFFAOYSA-N 327.384 2.766 0 50 EFAA Cc1ccc(CCNC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)o1 96133001 TZAAMHAXCNTRNH-UHFFFAOYSA-N 341.411 2.773 0 50 EFAA Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 91505650 LEONJQYKAQUVFA-KRWDZBQOSA-N 340.467 2.977 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 97468563 HRTHCHCNQWVUOF-OJLWIZQOSA-N 341.499 2.718 0 50 EFAA O=C(NCCc1ccc(Cl)cc1)c1coc(CN2CCOCC2)c1 95371118 FDGGTSCPPCQJPB-UHFFFAOYSA-N 348.830 2.738 0 50 EFAA CN1O[C@H](c2ccccn2)C[C@@H]1[C@H]1C[C@@H](c2ccccn2)ON1C 238950285 XMGVSBZNCGEFPA-BDXSIMOUSA-N 326.400 2.530 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@H](C)Cc3cnccn3)oc2c1 91351124 BGASRWHHNIHAPX-LLVKDONJSA-N 325.368 2.901 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1cc(-c2ccco2)on1 96141939 BVASHVSBGRMOSS-UHFFFAOYSA-N 340.383 2.786 0 50 EFAA CCn1c(C)cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1C 243919575 BPDYKCJYCIMQST-IIDMSEBBSA-N 327.428 2.762 0 50 EFAA Cc1ccccc1OC1(C(=O)O)CCN(C[C@H]2CC[C@@H](N)CC2)CC1 248011214 IUMRAXMQZZLJEZ-CALCHBBNSA-N 346.471 2.811 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1nc2c(s1)CCC2 244724747 MZYHGEKYQREMRY-LBPRGKRZSA-N 332.473 2.872 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)C[C@@H]1CCOc2ccccc21 184493178 BKLRUVKNMJWJMZ-ZDUSSCGKSA-N 325.368 2.935 0 50 EFAA CCN1CCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 252488632 IVXICELXAKRBLY-HXUWFJFHSA-N 346.471 2.565 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N(C)Cc2noc(C(C)C)n2)cc1 299762981 XNKGSBZCGRFRJU-UHFFFAOYSA-N 345.403 2.607 0 50 EFAA O=C(CN1CCOc2ccccc2C1)N1CC[C@@H]1c1cccs1 827919840 HEMCLIONHFAAOA-OAHLLOKOSA-N 328.437 2.916 0 50 EFAA O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)N[C@H]1C[C@@H](C(=O)O)C1 874398833 WLMFCVZCICMOSJ-GUTXKFCHSA-N 346.431 2.538 0 50 EFAA CCc1nc(C)c(CNC(=O)c2ccccc2N=S(C)(C)=O)o1 871596382 IMAJRPFSFXNEQO-UHFFFAOYSA-N 335.429 2.835 0 50 EFAA CCc1cccnc1C(=O)N(C)CCc1ncc(Br)cn1 1875274859 PPXFIXIFEYLCKS-UHFFFAOYSA-N 349.232 2.511 0 50 EFAA O=C(OCc1csc(-c2ccncc2)n1)[C@@H]1CCc2n[nH]cc2C1 1875278266 MJEDDYNIHSVLHJ-GFCCVEGCSA-N 340.408 2.777 0 50 EFAA CO[C@@H](C(=O)Nc1c(Cl)c(C)nn1C)c1cc(F)cc(F)c1 1875276291 WPYLSPYVQOPVFQ-GFCCVEGCSA-N 329.734 2.986 0 50 EFAA CC1(C(=O)O)CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CC1 1875303992 VXULXBXQDSVCNW-UHFFFAOYSA-N 345.321 2.564 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1 1875373546 FKGCEFSYCLFMGV-HXUWFJFHSA-N 344.455 2.897 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(CC)[C@@H](CC)c2ccncc2)CC1 1875365674 NPYVZFWONXODFD-KRWDZBQOSA-N 329.444 2.806 0 50 EFAA Cc1cn2cc(CC(=O)N[C@@H]3CCCc4cccnc43)nc2s1 885358366 JIWKIFRCKMCCGX-CQSZACIVSA-N 326.425 2.836 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 886060642 YHKRJAWXHPNWID-RDTXWAMCSA-N 347.434 2.822 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2ccc(F)cc2F)cn1 886093407 KYEZLPDHRNFSMW-MEDUHNTESA-N 335.354 2.689 0 50 EFAA Cn1cnc2ccc(C(=O)N[C@H]3CCOC4(CCCCC4)C3)nc21 888099510 NNKIMEIYYMKAIF-ZDUSSCGKSA-N 328.416 2.580 0 50 EFAA Cn1nncc1CN1CCC(c2nc(-c3ccncc3)cs2)CC1 1334511423 SIRYPUPXALFAKP-UHFFFAOYSA-N 340.456 2.713 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)s1 1775994622 ITYJFTVBSBLEEY-UHFFFAOYSA-N 335.473 2.576 0 50 EFAA COc1c(C)ncnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 896934371 NWQOSPXCSYUQCT-UGSOOPFHSA-N 341.415 2.612 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)CCc3ccsc3)CCO2)o1 275347483 LJCQYBDMEGDETO-ZDUSSCGKSA-N 335.429 2.787 0 50 EFAA O=C(c1ccco1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275557630 HZWTVFRGDKANCV-AWEZNQCLSA-N 327.384 2.568 0 50 EFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2csc3ccccc23)cn1 275726566 ZKKJMQXTCAIHHD-QAPCUYQASA-N 340.452 2.744 0 50 EFAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 280979722 BDNRBQAPYWIVAQ-OAHLLOKOSA-N 327.384 2.559 0 50 EFAA COc1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1 171825128 MEHNLHKCJUDUBL-OAHLLOKOSA-N 340.427 2.644 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cn1 189727427 GUSIVTVEDOYLAA-BBRMVZONSA-N 328.420 2.747 0 50 EFAA CCC(CC)c1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)on1 190060811 KNCQPTGDDXUGPV-TZMCWYRMSA-N 348.403 2.872 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2cccc(C3CC3)c2)C1 644122047 QHCZQDWFKHNXIS-SJORKVTESA-N 325.412 2.818 0 50 EFAA CCc1noc(C2CCC(Nc3cccc(CC(=O)OC)n3)CC2)n1 191629516 YZHVKBZVAORRHB-UHFFFAOYSA-N 344.415 2.881 0 50 EFAA C[C@H](CN(C)Cc1cc(F)cc(C(F)(F)F)c1)N1CCOCC1 1529197947 ZRVMUDTYAUYMOB-GFCCVEGCSA-N 334.357 2.997 0 50 EFAA CC(C)Cc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)s1 1615737816 ZCIXDZFKDRYQMW-KSSFIOAISA-N 331.485 2.772 0 50 EFAA O=C(NCCCc1nc2ccc(F)cc2[nH]1)c1ccn2nccc2c1 1857719220 HDLJKNWIRVBSCJ-UHFFFAOYSA-N 337.358 2.712 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 353180112 CSQAAWIWPYCNKP-KBPBESRZSA-N 332.227 2.846 0 50 EFAA C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)CCc1cnn(C)c1 328592362 DCGXIDJEJLVLQX-CQSZACIVSA-N 346.862 2.743 0 50 EFAA C[C@@H]1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C[C@H]1C(N)=O 408473997 XOGNDXBUSFLLRQ-BDJLRTHQSA-N 343.814 2.595 0 50 EFAA O=C(O)CCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 116350259 AZCFTDKUCPLLIB-UHFFFAOYSA-N 345.226 2.616 0 50 EFAA CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 125121669 KQFMAPTUCIUYLL-MWLCHTKSSA-N 335.878 2.829 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)sc2ccc(F)cc12 237760668 IDFZZQFQUMZOFW-NSHDSACASA-N 337.372 2.665 0 50 EFAA CCn1ccnc1[C@@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 451927720 LALPRSGAUOKJJY-SECBINFHSA-N 331.800 2.735 0 50 EFAA CC(C)c1cncnc1N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 248156401 DOIDSSNNBQMDGX-ZBFHGGJFSA-N 341.411 2.684 0 50 EFAA Cc1cc(O)nc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3F)C2)n1 248733639 KFRCWNTWWAKKOK-IAQYHMDHSA-N 335.354 2.903 0 50 EFAA COc1cc(OC)nc(N2C[C@@H](c3ccccc3C)OC[C@@H]2C)n1 672231367 RYVZOEKNDVFODJ-ZFWWWQNUSA-N 329.400 2.769 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 821386580 UTFQWJARJUGBSO-LBPRGKRZSA-N 344.415 2.709 0 50 EFAA Cc1cc(Cl)ccc1Cn1cc(CN2CCC(C(=O)O)CC2)nn1 900606796 BSUJVUYIGYGHID-UHFFFAOYSA-N 348.834 2.585 0 50 EFAA CCc1cc(N2CC(O)(c3cccc4ccccc34)C2)n2ncnc2n1 848742177 GXZRNTFMCIVJND-UHFFFAOYSA-N 345.406 2.548 0 50 EFAA Cn1ncc(Cl)c1C(=O)NCc1ccccc1Br 6727401 OYMNEGWFKCZXDB-UHFFFAOYSA-N 328.597 2.766 0 50 EFAA CC(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1Cl 4512210 QUWHNPBYAMZTKS-UHFFFAOYSA-N 330.837 2.544 0 50 EFAA CCn1nc(-c2ccccn2)nc1[C@@H]1CCCN(C2CCOCC2)C1 2100544624 BUQPSKBVINCVCN-OAHLLOKOSA-N 341.459 2.718 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1F)Nc1ccccc1F 170623 JKTIABTWZQAQME-UHFFFAOYSA-N 347.350 2.671 0 50 EFAA O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ncccn1)c1ccccc1 197615 LMKOOLSVNOKNCN-CABCVRRESA-N 349.481 2.858 0 50 EFAA CCOc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 306645 CQBOGAKFDASRCH-UHFFFAOYSA-N 337.379 2.824 0 50 EFAA CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C(C)=O)c1C 375221 BPCPBDOHJNBSSC-SNVBAGLBSA-N 325.386 2.553 0 50 EFAA N=C(Nc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1ccc(F)cc1F 449187 WQNAKHVFUXJNPT-UHFFFAOYSA-N 333.220 2.526 0 50 EFAA O=C(CSc1ncn(-c2ccccc2)n1)N1CCc2ccccc21 620366 XGSJFTRUIZDPHO-UHFFFAOYSA-N 336.420 2.949 0 50 EFAA c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccncc3)nn12 2329981 CNZMAAGKRYLVED-UHFFFAOYSA-N 333.380 2.646 0 50 EFAA O=C(NCc1ccccc1)C(=O)Nc1ccc(Br)cc1 2892404 QQHRQQWWIWFIMY-UHFFFAOYSA-N 333.185 2.704 0 50 EFAA COCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 4696997 LERYUSNQMDPYOL-DTQAZKPQSA-N 344.436 2.672 0 50 EFAA CNC(=O)COc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 4843205 OTTDKYLZUXILBZ-HNNXBMFYSA-N 340.423 2.563 0 50 EFAA CN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O 6701430 SFZCBBIRDIPEIO-UHFFFAOYSA-N 338.473 2.925 0 50 EFAA CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 6701450 GMTRGQGKVDYIOK-UHFFFAOYSA-N 346.452 2.953 0 50 EFAA CCCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 6703138 RMKKPVNYBDQPRB-UHFFFAOYSA-N 325.412 2.833 0 50 EFAA COCCC1(NC(=O)Cn2c(C3CC3)nc3ccccc32)CCC1 225434043 JQINUPCZHNSHGC-UHFFFAOYSA-N 327.428 2.989 0 50 EFAA CCCn1ncnc1[C@@H](C)NC(=O)COc1c(C)ccc(C)c1C 55402940 GSNQLMRKQALAHJ-OAHLLOKOSA-N 330.432 2.870 0 50 EFAA CCN(Cc1cnc(-c2ccc(OC)cc2)nc1)Cc1noc(C)n1 102536090 CBTJMHWGCGMIOF-UHFFFAOYSA-N 339.399 2.866 0 50 EFAA CC1(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 1327516250 AUXHBJBRWGCCLQ-UHFFFAOYSA-N 329.381 2.721 0 50 EFAA c1ccc(CCc2n[nH]c([C@@H](Cc3cnc[nH]3)n3cccc3)n2)cc1 67868825 KVIAULYYEFKKDR-QGZVFWFLSA-N 332.411 2.947 0 50 EFAA O=C(CC1CC1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 67678973 PMUKABQGWVPMJL-JKSUJKDBSA-N 348.830 2.714 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229415841 KHXNJHOEXKUWDJ-MJGOQNOKSA-N 338.455 2.780 0 50 EFAA CC(=O)Nc1cccc(-c2nc(N)nc(NCc3ccccc3)n2)c1 67975583 JDADLRZKIOQZFP-UHFFFAOYSA-N 334.383 2.691 0 50 EFAA CN(Cc1nnc(-c2cccnc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 1506407134 OJNDURFLGBYOHQ-GOSISDBHSA-N 349.438 2.838 0 50 EFAA Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2C[C@@H]3CC=CC[C@H]3C2)o1 252669728 IMWKOTOLYVWYBI-JYJNAYRXSA-N 336.457 2.868 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nnc(C(C)C)o2)n1C 328639849 PRVBHNZFDCXJQG-AWEZNQCLSA-N 345.447 2.618 0 50 EFAA Cc1nnc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1C1CC1 328623237 BTGBSELGIKBCQQ-INIZCTEOSA-N 326.448 2.860 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1nnc(N)s1 219793166 YEOQAZKTMMGNNP-VIFPVBQESA-N 343.412 2.504 0 50 EFAA O=C(CN1CCCN(C2CCCC2)CC1)NCc1ccc(Cl)cc1 172584164 WGRFSIXEUCQBAN-UHFFFAOYSA-N 349.906 2.907 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(C2CCCCC2)C1 253369337 BBUHYJFEDSIUBC-RYQLBKOJSA-N 342.549 2.729 0 50 EFAA COCCn1cncc1CN1CCC[C@H](C(=O)Cc2ccccc2)C1 72137341 LOMUIVMPJMJBSI-SFHVURJKSA-N 341.455 2.553 0 50 EFAA C[C@H]1CCN(C(=O)CCC(=O)c2cnn(C)c2)[C@H](c2ccco2)C1 253428552 JIEIAHAXLRBWIJ-ZFWWWQNUSA-N 329.400 2.976 0 50 EFAA O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCNC1 151989348 MGNMWHMZVMLATJ-NSHDSACASA-N 334.313 2.652 0 50 EFAA CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 72138989 DDXZQQWDXWINBR-INIZCTEOSA-N 337.420 2.958 0 50 EFAA CC(C)(CC(=O)O)CC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 236810711 LMOSDFYGDYLBHJ-LBPRGKRZSA-N 340.370 2.551 0 50 EFAA C/C=C/Cc1nnc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)o1 71738580 GUBYQJORRVZTSS-ONEGZZNKSA-N 343.412 2.912 0 50 EFAA Cc1nc(-c2cccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)c2)n[nH]1 155590061 FMRYSKDZEVKPHJ-JTQLQIEISA-N 345.403 2.632 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 367494046 YDOAPGOKCYSEEP-LBPRGKRZSA-N 328.372 2.751 0 50 EFAA CC(C)(C)C(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72421826 ZAKWOGGMJZMXAR-FQEVSTJZSA-N 343.471 2.859 0 50 EFAA Cc1cc(C)n(CCNC(=O)CCCc2ccc(Cl)cc2)c(=O)n1 77537199 DJHZWFIPKQLUBQ-UHFFFAOYSA-N 347.846 2.653 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 238072238 GQPJQLMSYUXZBO-WZRBSPASSA-N 327.302 2.885 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)N(C)CCc1scnc1C)C2 72447709 RGHVYIUYFMKZRB-CQSZACIVSA-N 346.452 2.712 0 50 EFAA O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H]2CNCCC[C@H]21 373559934 JJRYUYOZRVQQHA-SWLSCSKDSA-N 330.457 2.742 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)c1 158324719 ABLSBUMHKDWHRK-UHFFFAOYSA-N 335.411 2.537 0 50 EFAA C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1F 173511598 QDFHACAAAOJOFI-TZMCWYRMSA-N 349.385 2.707 0 50 EFAA O=C(NCCc1noc(C2CCCC2)n1)[C@H](O)c1cccc(Cl)c1 215445584 CJOXYDMVEODTGK-OAHLLOKOSA-N 349.818 2.773 0 50 EFAA COCCc1ncc(CN2CCCN(c3ccc(F)cc3)CC2)cn1 72125403 PDSFSLZLJXWDIY-UHFFFAOYSA-N 344.434 2.517 0 50 EFAA CN(C)CCn1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1 240894743 IPMDDMXPAXCKTJ-NSHDSACASA-N 347.385 2.639 0 50 EFAA Cc1nc2n(n1)CCN(C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C2 241383361 MURFDDDLIOSTKJ-SNVBAGLBSA-N 348.476 2.627 0 50 EFAA NC(=O)c1cccc(OCc2ccn(-c3ccc(F)cc3F)n2)c1 241644215 PPFCQXJOFCXESD-UHFFFAOYSA-N 329.306 2.828 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@@H]3CCN3Cc3ccccc3)cn12 242106224 WHYATDYFTVPIIW-SFHVURJKSA-N 334.423 2.533 0 50 EFAA CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)C1 242100108 WEJFECMZGLMGKN-MCIONIFRSA-N 336.457 2.897 0 50 EFAA CC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1nccs1 131640034 RKDHIVAVCQNHAF-CQSZACIVSA-N 337.489 2.746 0 50 EFAA Nc1nc(NCC2(COc3ccccc3)CC2)cc(C2CC(N)C2)n1 223698684 FHNSNKCMWDLJJN-UHFFFAOYSA-N 339.443 2.535 0 50 EFAA CCc1nn(C)c(CC)c1CNC(=O)c1cnnc(-c2ccccc2)c1 291263994 KZMKLXXERFCKHL-UHFFFAOYSA-N 349.438 2.932 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1F 423493537 BTZNTOHYDUOQEP-GDBMZVCRSA-N 346.377 2.849 0 50 EFAA CCOc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1[C@@H]1C[C@@H]21 229835373 XEYUSPFUMMEJHA-HYXZDWPFSA-N 327.380 2.793 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCCC[C@@H]1CCn1ccnc1 220393508 UUVVWUUMHFHHEU-MRXNPFEDSA-N 337.427 2.704 0 50 EFAA CC(C)c1nc(C2CCN(c3nccnc3OC(F)F)CC2)no1 291988965 QLCDZZOOTKXPPM-UHFFFAOYSA-N 339.346 2.968 0 50 EFAA CSc1nc(N)cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 82146945 KHXDNASRJVKKDF-CYBMUJFWSA-N 344.488 2.771 0 50 EFAA CSc1ccc(CN(C(=O)N[C@H]2CCC(=O)N(C)C2)C2CC2)cc1 426535192 PJYNHJWJGWIZTK-AWEZNQCLSA-N 347.484 2.703 0 50 EFAA Cc1cc2[nH]c(CN3CC[C@@H](c4cccc(Cl)c4)C3)cc(=O)n2n1 334159657 PIECTMCJWGZLLJ-CQSZACIVSA-N 342.830 2.974 0 50 EFAA Cc1cnn(Cc2cc(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@H]43)no2)c1 230170045 IYRRDAYRDPWXST-QXAKKESOSA-N 348.406 2.686 0 50 EFAA Cc1ccc2nc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cn2c1 91493377 QVAADQWHJRLTPI-AWEZNQCLSA-N 346.394 2.714 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1sc(C)nc1C)C2 95503644 ZTAPUZFHKSEHBK-GFCCVEGCSA-N 332.425 2.750 0 50 EFAA COC[C@@H](O)CN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 180742575 GZCXZFKPUDOQPE-ICSRJNTNSA-N 327.424 2.802 0 50 EFAA Cc1cnccc1N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95517646 LDMGACXRZIAYBR-QGZVFWFLSA-N 327.476 2.922 0 50 EFAA CCNc1nc(C)c(-c2nc(C3CCCC3)nn2CC(=O)O)s1 97076360 IIXKZXHLHSLXOJ-UHFFFAOYSA-N 335.433 2.884 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 239235862 WWQIVWYIIHDPFQ-YRRQLQLVSA-N 349.408 2.695 0 50 EFAA COc1ccc([C@@H](NC(=O)NC2CCCC2)[C@H]2C[C@@H](O)C2)cc1F 244795050 QYQKHOIFXXGYLH-HACGYAERSA-N 336.407 2.888 0 50 EFAA Cn1c(CNC(=O)C[C@H]2CCOc3ccccc32)nnc1C1CCC1 184028847 IZJANNBDAMPWJO-CQSZACIVSA-N 340.427 2.655 0 50 EFAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(n2ccnc2)CC1 299502366 ICBMJFGQAWNAMT-INIZCTEOSA-N 331.803 2.704 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCC1(c2ccccc2)CCOCC1 252483519 FDINAYRGWKDXFD-MJGOQNOKSA-N 342.483 2.725 0 50 EFAA Cc1nnc(SCCCNC(=O)[C@@H](C)n2cc(Cl)cn2)s1 299793515 IXJKJVMHNRHBNE-MRVPVSSYSA-N 345.881 2.556 0 50 EFAA COc1cccc2c1OC[C@H](NC(=O)c1cnc3c(c1)CCCC3)C2 824804937 WTWNVTWEEAGMNW-MRXNPFEDSA-N 338.407 2.703 0 50 EFAA Cc1ccccc1Cn1nc(CC(N)=O)nc1C1C(C)(C)C1(C)C 826841809 AWPRGOLLSVUOJM-UHFFFAOYSA-N 326.444 2.812 0 50 EFAA Cc1ccn(CC(=O)NC[C@H](c2ccccc2)N2CCCCCC2)n1 584892285 VMNDJYIKDMXZRV-LJQANCHMSA-N 340.471 2.925 0 50 EFAA C[C@H]1C[C@H]1c1ccc(CNC(=O)C2C[C@@H]3CSC[C@H](C2)C3=O)o1 863948162 OKSLWYJDXODDGP-HHQTYALHSA-N 333.453 2.978 0 50 EFAA CC(C)(O)Cn1nc(C2(c3ccccc3)CC2)nc1[C@@H]1CCOC1 670439518 ZJKFCFMGGOTSTF-CQSZACIVSA-N 327.428 2.633 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 269260328 JELKKVNCXXMFPM-PWSUYJOCSA-N 343.240 2.717 0 50 EFAA C[C@@H](c1cccnc1)N(C)C(=O)c1nc(C(F)(F)F)n2ccncc12 1875296203 JVANIFPUQVQVMH-JTQLQIEISA-N 349.316 2.976 0 50 EFAA O=C(c1ccc(-n2cccc2)nc1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21 1875296473 YVGFGIGASYYEMV-XIRDDKMYSA-N 325.412 2.638 0 50 EFAA C[C@@H](C(=O)N1CC[C@](O)(Cc2cccc(F)c2)C1)c1cccc(O)c1 1875271646 ACCINZZRKZWTEC-VLIAUNLRSA-N 343.398 2.841 0 50 EFAA C[C@@](O)(CNCC1CCCCC1)C(=O)N[C@@H]1CCOc2ccccc21 1875326231 NHEJKEYUOXVIHJ-YLJYHZDGSA-N 346.471 2.547 0 50 EFAA C=CC(=O)N1CC(C[C@H](C)NC(=O)/C(C)=C/c2ccc(F)c(F)c2)C1 1875389564 SVSCYGBNSPULLL-WHGQRRHOSA-N 348.393 2.907 0 50 EFAA Nc1c[nH]nc1[C@H]1CCN(C(=O)C2CCC(n3cccc3)CC2)C1 952851715 STUGOKFIICIQLS-SLTAFYQDSA-N 327.432 2.541 0 50 EFAA COc1ccc(F)cc1C(=O)N[C@H]1CC[C@@H](Cc2nnc(C)o2)C1 952891314 ZOCCFRLATMKXFE-YPMHNXCESA-N 333.363 2.667 0 50 EFAA O=C(CCn1cnc2ccccc21)N(CCO)Cc1ccccc1F 952970333 CASUOXVQPXJVGP-UHFFFAOYSA-N 341.386 2.587 0 50 EFAA S=C(NCc1ccc(-n2cnc3ccccc32)nc1)NCC1CC1 1330122840 IRBULSOSPTZARG-UHFFFAOYSA-N 337.452 2.795 0 50 EFAA C[C@H](C(=O)O)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 888096702 JCTFESHLDGVYRH-WRWORJQWSA-N 344.230 2.574 0 50 EFAA CCOCc1nc(C)cc(N2CC[C@H](CNc3cc(C)ccn3)C2)n1 892218933 NELSWFCFADBGBE-MRXNPFEDSA-N 341.459 2.963 0 50 EFAA CNC(=O)c1cccnc1N1CCC(c2nc3ccccc3o2)CC1 301374814 VGAZYAOJRMYQAP-UHFFFAOYSA-N 336.395 2.966 0 50 EFAA CC(C)(C)n1nnnc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 170596768 MLICOKIFWIBOKV-AWEZNQCLSA-N 345.422 2.662 0 50 EFAA COc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ccc1F 669968749 RUVLBPWZPKTFQY-UHFFFAOYSA-N 342.418 2.830 0 50 EFAA CCn1nc(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)ccc1=O 672119075 UZQAMGQLAGTTLN-HXUWFJFHSA-N 339.439 2.847 0 50 EFAA COCCc1ccccc1NC(=O)N1CCO[C@@H](c2nccs2)C1 189439986 OMPYXEBDLNRALM-OAHLLOKOSA-N 347.440 2.937 0 50 EFAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 190350055 XBXQWVQCVSAXSL-RHSMWYFYSA-N 335.419 2.537 0 50 EFAA O=C(O)CC[C@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccccc1 190765521 YBDQVLCXCANBCZ-INIZCTEOSA-N 337.379 2.828 0 50 EFAA CO[C@@](C)(C(=O)N[C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1F 192351401 ZAXPKDFUOIEACE-CWTRNNRKSA-N 347.434 2.785 0 50 EFAA CCCN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCNCC1 195543735 VIJWXFMNTCRPKH-UHFFFAOYSA-N 326.444 2.536 0 50 EFAA O=C(O)c1ccc(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1 659229161 PTSCFHVKYCJWBB-QGZVFWFLSA-N 325.364 2.607 0 50 EFAA CCCCOc1ccccc1C(=O)N1CCNC(=O)C12CCCC2 1506418425 SNRVCGXATDGDPJ-UHFFFAOYSA-N 330.428 2.750 0 50 EFAA CCOc1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1Cl 1772711889 YADHRXVCAGUAAH-RHSMWYFYSA-N 325.836 2.570 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 5499818 UGLKNRLHRREZKD-UHFFFAOYSA-N 328.393 2.990 0 50 EFAA O=C1C[C@@H](NCc2ccncc2)CN1CCc1cccc(Cl)c1 12304071 OIBBFECEAKNHFV-QGZVFWFLSA-N 329.831 2.668 0 50 EFAA Cc1csc2ncc(C(=O)N[C@@H](C)CCc3ccccc3)c(=O)n12 16649049 OFIVBVDXKLRMEI-LBPRGKRZSA-N 341.436 2.816 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1F)CCCC2 169752880 GHBFEWUUXKGVOQ-UHFFFAOYSA-N 330.359 2.893 0 50 EFAA CCOC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cnc[nH]1 1857676626 JTKMWKFQABSFHS-NLWGTHIKSA-N 339.439 2.939 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cscn1)CC2 1857680624 QQNXWWMFQHCUHY-UHFFFAOYSA-N 338.436 2.785 0 50 EFAA O=C(C1CCC1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1875240473 UFPORMIZVYVCSZ-LJQANCHMSA-N 327.428 2.666 0 50 EFAA Cc1cc(NCCNC2CC(c3ccccc3F)C2)n2ncnc2n1 242346829 ZJMNMYWLIBLXBG-UHFFFAOYSA-N 340.406 2.520 0 50 EFAA CS[C@@H]1CCCC[C@@H]1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 252510766 BGBSNVSPRNOEIE-GWONACJQSA-N 325.522 2.975 0 50 EFAA CC(C)(C)[C@H](NC(=O)c1ccc(C(F)F)c(F)c1)c1nc(=O)o[nH]1 823653211 XECAGBQJNOYIMB-SNVBAGLBSA-N 343.305 2.957 0 50 EFAA Cc1cc(C)cc(-n2nc(NC(=O)NCc3cn(C)cn3)cc2C)c1 930743113 LKKPFKATWWOORT-UHFFFAOYSA-N 338.415 2.853 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccc(CO)c(F)c1 857485118 MLIBYXUJCCGRNZ-UHFFFAOYSA-N 343.398 2.878 0 50 EFAA O=C(O)COc1ccc(NC(=O)c2ccc(Br)o2)cc1 4520002 LZKKKVPMHROPGE-UHFFFAOYSA-N 340.129 2.758 0 50 EFAA NS(=O)(=O)c1cnc(N[C@@H](C2CCC2)C2CC2)c(C(F)(F)F)c1 2325752944 GELLNJBXGMNYCJ-LBPRGKRZSA-N 349.378 2.738 0 50 EFAA N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(F)c2)C1 2325788000 HCPKEHBLJBFOBQ-HUUCEWRRSA-N 348.805 2.680 0 50 EFAA CC1(C)C[C@@H](c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)CN1 2325806044 OFSSUJOHUFOUAN-CYBMUJFWSA-N 346.406 2.568 0 50 EFAA NC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 354256 MBACYXWIPQUEBZ-UHFFFAOYSA-N 344.392 2.707 0 50 EFAA Nn1c(SCc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O 386584 ODZKDVCDRZRHOR-UHFFFAOYSA-N 349.419 2.588 0 50 EFAA Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccccc1O 565398 VADKSFKXEIFQKI-QGZVFWFLSA-N 331.755 2.767 0 50 EFAA Cc1cc(C)cc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 574934 NUYUAKFNGDUCGG-UHFFFAOYSA-N 338.473 2.836 0 50 EFAA COc1cc2c(cc1-c1cnc3c(N4CCCC4)nccn13)OCO2 2356147045 FSYQIJNGFAYASR-UHFFFAOYSA-N 338.367 2.734 0 50 EFAA O=C(c1ccc(Cl)c(O)c1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356170262 HCXFNSSQIIQWDX-GOSISDBHSA-N 348.830 2.805 0 50 EFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C)cc1 4820613 IYUOCGZBUAFERH-UHFFFAOYSA-N 346.452 2.865 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 4867396 ZDQPNDSLWHJOCX-CYBMUJFWSA-N 345.376 2.563 0 50 EFAA CO[C@@H](C(=O)NCCc1nc2c(F)cccc2n1C)c1ccccc1 110823887 OHNJNLFFUXBIMV-GOSISDBHSA-N 341.386 2.759 0 50 EFAA Cc1cc(OC[C@H](O)COC2CCOCC2)ccc1Br 225510401 YXPYKKKFMSOMMO-GFCCVEGCSA-N 345.233 2.693 0 50 EFAA Cc1c(C)n(Cc2ccncc2)c2ncnc(NCCCN(C)C)c12 9419796 ISAPLTATNPZHBK-UHFFFAOYSA-N 338.459 2.855 0 50 EFAA CC[C@@H](OC)C(=O)N(CCO)CCSc1ccc(Cl)cc1 55310706 MBVRNHKPWGMDEG-CQSZACIVSA-N 331.865 2.678 0 50 EFAA CC(C)CCN1CCN(Cc2cc(F)ccc2F)C[C@H]1CCO 104388007 ZGVIOAWMWYBSHF-QGZVFWFLSA-N 326.431 2.880 0 50 EFAA COCc1c(C(=O)N2CC[C@@H](c3nc(C)no3)C2)oc2ccccc12 347404313 GSFCIRBRAUQOCK-GFCCVEGCSA-N 341.367 2.900 0 50 EFAA O=C(Nc1cc(Br)ccc1C1=NCCO1)N1CCCC1 1365533938 PVSYBWYMMRKKGE-UHFFFAOYSA-N 338.205 2.854 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2noc(C3CCC3)n2)c1C 67790282 CZQDJRQJEXLOSG-UHFFFAOYSA-N 330.388 2.757 0 50 EFAA OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ncncc1Br 351961972 MNWYMICYTFYAEV-LLVKDONJSA-N 347.216 2.736 0 50 EFAA Cc1cnccc1CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331954362 RLSCOGBGATVPFK-RHSMWYFYSA-N 332.350 2.545 0 50 EFAA O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230127506 JWKWYLQKWBHTAV-XHHGLIPKSA-N 339.435 2.987 0 50 EFAA Cc1oc(CN(C)C(=O)c2cn3c(C)cccc3n2)cc1C(=O)O 120753055 JJLVRJFAPXNQNQ-UHFFFAOYSA-N 327.340 2.515 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnc3c(C)cccn23)cn1 328636168 NXBHDJCJXHSMOM-ZWKOTPCHSA-N 339.443 2.869 0 50 EFAA C[C@@H](c1nccs1)N(C)C(=O)c1ccccc1N1CCOCC1 65406713 GZSDPSBTVCBCFR-ZDUSSCGKSA-N 331.441 2.813 0 50 EFAA O=C(Nc1ccc(F)cc1F)c1n[nH]cc1I 5642283 IHYQQJNGJSJOPU-UHFFFAOYSA-N 349.078 2.545 0 50 EFAA CCN1CC[C@H](NCC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 253393098 RJRIQPRBSIDRCB-GOEBONIOSA-N 330.831 2.823 0 50 EFAA Cc1cncnc1C1CCN(C(=O)c2nc3ccc(F)cc3[nH]2)CC1 215756590 JTZOKULDDVRTIE-UHFFFAOYSA-N 339.374 2.820 0 50 EFAA Oc1ccc(-c2noc(-c3cccc(CN4CCOCC4)c3)n2)cc1 436890873 VQWSCKPJOLQZIF-UHFFFAOYSA-N 337.379 2.941 0 50 EFAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)OC[C@H]2CCCCO2)c1 253604273 XQUCMTUDYCGHBJ-OKZBNKHCSA-N 349.475 2.547 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCO[C@@H](CCc2ccccc2)C1 71775909 NOKUDMIYVNAYMN-SFHVURJKSA-N 349.434 2.897 0 50 EFAA N=C(O)C1CCC(NS(=O)(=O)c2cnc3ccsc3c2)CC1 332600780 CVRSIHPHCQQSRZ-UHFFFAOYSA-N 339.442 2.669 0 50 EFAA CCN(C(=O)CCN1CCC(N2CCCC2=O)CC1)c1ccccc1 71614586 VQYWMMVZKZMNEK-UHFFFAOYSA-N 343.471 2.516 0 50 EFAA CN1C[C@]2(CCCN(C(=O)c3cc4sccc4[nH]3)CC2)OC1=O 72152270 ZDGHRFRTSJMZQB-MRXNPFEDSA-N 333.413 2.676 0 50 EFAA CN(C)Cc1nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cs1 72122576 GPEHAQBYPUKYRB-OAHLLOKOSA-N 344.484 2.921 0 50 EFAA CCN1C[C@H](C(=O)N2CCC(Sc3ccccc3C)CC2)CC1=O 77385282 WPDOURGQQNFRKD-OAHLLOKOSA-N 346.496 2.947 0 50 EFAA C[C@H]1CN(C2CCN(Cc3nc4ccccc4[nH]3)CC2)C[C@@H](C)O1 77471000 UOAQLSWXNIEPQN-GASCZTMLSA-N 328.460 2.637 0 50 EFAA CSc1nc(C)c(CCOC(=O)c2cccc(Cl)c2)c(=O)[nH]1 13140556 DQPCAISWNAUIAP-UHFFFAOYSA-N 338.816 2.853 0 50 EFAA CC(C)N1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@@H]1C 72163227 OESGCPOAABLZLA-AWEZNQCLSA-N 342.491 2.940 0 50 EFAA C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC2(CCCO2)CC1 71771099 PURHBPQLGYRWFU-GFCCVEGCSA-N 325.355 2.904 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)CN(C)c2ccccc21 173729522 MWHARHFFNJNZNE-QAPCUYQASA-N 343.471 2.897 0 50 EFAA Cc1nc(NCCC23CCCN2CCC3)cc(C2CCNCC2)n1 71278897 LDOYXDKSWZJESY-UHFFFAOYSA-N 329.492 2.682 0 50 EFAA CC(C)[C@H](O)CC(=O)N(Cc1ccccc1F)C1CCN(C)CC1 371009474 NGXPSKPMDLUAAI-GOSISDBHSA-N 336.451 2.656 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)N1CCOC[C@H]1c1cccn1C 450907124 QBUGNJDRFJVWOD-SFHVURJKSA-N 325.412 2.820 0 50 EFAA Cn1ccnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72151528 TYRRKZRJMNHPKQ-UHFFFAOYSA-N 339.361 2.923 0 50 EFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(F)cc2cccnc12 377732791 PCOIFQDRJQGWIS-RDTXWAMCSA-N 329.419 2.669 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 72438092 PIDORPFVJVEHAH-CYBMUJFWSA-N 347.415 2.718 0 50 EFAA COCC1(NC(=O)c2cnn(-c3ccccc3OC)c2)CCCC1 215556458 WLTBZSOETFFNKQ-UHFFFAOYSA-N 329.400 2.570 0 50 EFAA NC(=O)c1csc(N2CCC[C@H](COc3ccc(F)cc3)C2)n1 77554250 UNRMSQUNFMIPLY-NSHDSACASA-N 335.404 2.677 0 50 EFAA CN1CCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc21 174778474 NRLPFTZGWCMVRA-UHFFFAOYSA-N 337.379 2.652 0 50 EFAA CC(C)[C@@H](C(=O)NCCc1nc(C(=O)O)cs1)c1ccccc1 221213347 JXAVEXKDBJTVNY-OAHLLOKOSA-N 332.425 2.940 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(=O)N1CCCC[C@@H]1C 175905965 KEAKVPZMQPVMBJ-YAUSHBINSA-N 340.467 2.796 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 221300572 HROBFECNXORSFW-INIZCTEOSA-N 332.444 2.554 0 50 EFAA NS(=O)(=O)Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 176206075 CVLWYZZCEKQMIY-UHFFFAOYSA-N 344.436 2.532 0 50 EFAA COc1ccc(-c2nn3c(=O)c4ccccc4nc3s2)cc1OC 17071091 RMHZSMXPFLULIV-UHFFFAOYSA-N 339.376 2.988 0 50 EFAA CN(C)C(=O)c1cccc(CNC(=O)Cc2ccc(O)c(Cl)c2)c1 220223437 VNSFLMMKPIHGLN-UHFFFAOYSA-N 346.814 2.606 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc(OC(F)F)cc1)CC2 426563077 AYWWTEIEODSLGX-UKPHBRMFSA-N 327.371 2.792 0 50 EFAA Cc1c[nH]c(CN(C)[C@@H](C(=O)O)c2c(F)cccc2OC(C)C)n1 95390361 OLCBEBVMBGGCDS-MRXNPFEDSA-N 335.379 2.902 0 50 EFAA CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CCC[C@@H]1CCCO1 426414922 ZPPXULHNUIXFMS-MRXNPFEDSA-N 347.459 2.740 0 50 EFAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCC2)cc1 95508409 OLQRCSSVJRRHRB-FQEVSTJZSA-N 340.467 2.764 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 239203337 SDZKOIHKYYQFIP-OXHZDVMGSA-N 343.766 2.740 0 50 EFAA CCc1nc(N)nc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1C 95364506 BYOLPJHVYRFTAR-OAHLLOKOSA-N 339.443 2.646 0 50 EFAA CCN(C(=O)Nc1cccc(-c2ccco2)c1)[C@H]1CCS(=O)(=O)C1 96139432 NVXIYCZYFQTUAI-HNNXBMFYSA-N 348.424 2.988 0 50 EFAA O=C(NCCN1CCc2ccccc21)c1cccc([C@@H]2CCCNC2)c1 95363591 ZZVJWGVQQJRONB-HXUWFJFHSA-N 349.478 2.946 0 50 EFAA C[C@H](C1CCN(c2cc(C(=O)N3CCCCC3)ccn2)CC1)N(C)C 96131606 VVJGDZGSSTVHRP-MRXNPFEDSA-N 344.503 2.874 0 50 EFAA CC[C@H]1Oc2cc([C@@H](C)NCC(=O)NC3CCCC3)ccc2NC1=O 180030270 FFCRWNASXAYBTL-MLGOLLRUSA-N 345.443 2.506 0 50 EFAA CCOc1ncccc1C(=O)N1CCC[C@H](c2nccn2CC)C1 91624557 DYHKJPOSDJPRAT-AWEZNQCLSA-N 328.416 2.717 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@@H](c4nccn4C)C3)cc2nc1C 95497612 NXJUBIQJQHGEKU-MRXNPFEDSA-N 349.438 3.000 0 50 EFAA CCc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)o1 91526581 HAELYCLMBDHOOF-JKSUJKDBSA-N 343.379 2.871 0 50 EFAA CN(Cc1nccs1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91894188 GATSGYBPFFDQPR-UHFFFAOYSA-N 335.473 2.530 0 50 EFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)s1 97551400 VGDGAWYPCBBUGH-LBPRGKRZSA-N 348.424 2.681 0 50 EFAA O=C(N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1)c1cccn1C1CC1 253534888 QHRZDBGEYRMEFA-JOCQHMNTSA-N 338.411 2.872 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 299739464 OUMYJHQFDZPYIA-ZDUSSCGKSA-N 328.391 2.646 0 50 EFAA CNC[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2Br)C1 299739835 RVGUEADXMZTJKZ-JTQLQIEISA-N 345.668 2.713 0 50 EFAA CCCn1ncnc1-c1cccc(C(=O)N(C)C2CCN(C)CC2)c1 534587338 OKAWWWFWLVNSCX-UHFFFAOYSA-N 341.459 2.521 0 50 EFAA CSC[C@H]1CCCN(C(=O)c2ccc(C)c(OCCCN)c2)C1 299797610 OHFVDJMLFVIXSS-HNNXBMFYSA-N 336.501 2.938 0 50 EFAA CN1CCC(CNC(=O)CCCc2cn[nH]c2)(c2ccccc2)CC1 299779964 HSEQRZDBKVHKHJ-UHFFFAOYSA-N 340.471 2.512 0 50 EFAA C[C@H](CNC(=O)N1CCCNC(=O)C1)Cc1cccc2ccccc12 584892152 VHOOTWFHMZIFQH-HNNXBMFYSA-N 339.439 2.550 0 50 EFAA CNC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 269193858 OSLUDBXFEOOXNA-FPMFFAJLSA-N 342.361 2.899 0 50 EFAA CN(c1nc(-c2ccccn2)nc2sccc12)[C@H](CN)C1CC1 872777741 NMMDPUMJVIFQBV-CQSZACIVSA-N 325.441 2.927 0 50 EFAA CC(C)C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C3CCCC3)cc1O2 1875394699 SRYOHXKYBWTCTK-OAHLLOKOSA-N 347.459 2.831 0 50 EFAA C=CC(=O)NC1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1 1875368776 PDYIUUGBBNPUAY-UHFFFAOYSA-N 340.349 2.644 0 50 EFAA O=C(C[C@@H](O)c1ccccc1)N1CC[C@H](CO)[C@@H](c2ccccc2)C1 1875312900 JLVYHYJKIAWPLF-VAMGGRTRSA-N 339.435 2.735 0 50 EFAA O=C(O)COCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 1875266691 QVQMDMLARDJHRI-CYBMUJFWSA-N 345.317 2.860 0 50 EFAA CCC[C@H](CCc1ccccc1)C(=O)N[C@H](C)CS(C)(=O)=O 1875290002 FIRDDJNVOSEKQH-GDBMZVCRSA-N 325.474 2.585 0 50 EFAA C[C@@H](COCC(=O)N1CCC(c2cc(O)no2)CC1)c1ccccc1 1875296015 GBKRMHHXXNSNJA-AWEZNQCLSA-N 344.411 2.907 0 50 EFAA COCCN(C)c1ccc(=NCc2c[nH]nc2-c2ccsc2)[nH]c1 1875264323 NGRJUNHZUHECKS-UHFFFAOYSA-N 343.456 2.650 0 50 EFAA COC(=O)c1ccc(CS[C@H](C)[C@@H](C)C(=O)OC)cc1OC 1875272326 KDGPUJCCEGOJMB-GHMZBOCLSA-N 326.414 2.913 0 50 EFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1ccc(F)o1 1875401841 UJNYRJIEXFKDKA-BXUZGUMPSA-N 348.378 2.910 0 50 EFAA Cc1cccc(C(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1F 952983129 OKUIQLCJYKCTAO-CQSZACIVSA-N 332.419 2.997 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2ccc(C)c(F)c2)CC[C@H]1C(F)(F)F 886043507 VGAILDIMZIADCJ-OCCSQVGLSA-N 346.324 2.806 0 50 EFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(Oc2ccccc2)o1 887012159 GDLXKUJQDAFBIH-HZPDHXFCSA-N 343.379 2.732 0 50 EFAA CN(C)[C@H](CC(=O)NCc1cnn(CC2CCC2)c1)c1ccccc1 887358819 SYCPISBLZXVZJA-LJQANCHMSA-N 340.471 2.992 0 50 EFAA CCc1c[nH]c2ncnc(N3CC4(CC(=O)N4Cc4ccccc4)C3)c12 895006125 MCAGLNSTEJKJLR-UHFFFAOYSA-N 347.422 2.512 0 50 EFAA O=C([C@H]1CC=CCC1)N1CCC(n2cnc3ccccc3c2=O)CC1 1348113335 GGEAUCWTJLDOED-HNNXBMFYSA-N 337.423 2.916 0 50 EFAA CCCN(Cc1cnc(C)cn1)Cc1nc(O)c2sccc2n1 1319366694 NFQLNIXRHYSLKX-UHFFFAOYSA-N 329.429 2.908 0 50 EFAA CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H](C)C3(CCC3)C2)c1 271378656 SQNCMUMIBXYOMN-OAHLLOKOSA-N 343.471 2.887 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1 275302972 HSDTVNHKYIQDPW-GFCCVEGCSA-N 347.440 2.957 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cnn1 276039088 GCPGUXQBZGNWPN-MRXNPFEDSA-N 328.391 2.631 0 50 EFAA CN1C(=O)C[C@H](NC2CCSCC2)[C@H]1c1ccc(F)c(F)c1 170062725 ITFHOGIVNMDMPP-GOEBONIOSA-N 326.412 2.722 0 50 EFAA CC(C)[C@H](C)NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 170600490 JLPXLOPFTULDKQ-ZDUSSCGKSA-N 339.867 2.749 0 50 EFAA O=C(NCCc1ccc(Cl)s1)N1CC[C@@H](N2CCCC2)C1 171044876 JRIRFCLFLYMNJI-GFCCVEGCSA-N 327.881 2.824 0 50 EFAA O=C(CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cn1 281238858 CUSFIIJPHHZEJY-ZNMIVQPWSA-N 337.851 2.689 0 50 EFAA CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[C@H](O)CC(F)(F)F)C1=O 189392845 ANFLVBCETTXGSQ-CZUORRHYSA-N 343.345 2.715 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CCN(C)C2=O)ccc1Oc1ccncc1 683888070 ZSRIHZUWEGOQNF-HNNXBMFYSA-N 325.368 2.599 0 50 EFAA O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@H]1CCCC1=O 190029607 MSQFNDVCKXPIPM-CQSZACIVSA-N 340.379 2.738 0 50 EFAA CCc1ccnc(C(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)c1 190117268 VEVIEDVOUPSXNL-HOCLYGCPSA-N 328.416 2.511 0 50 EFAA Cc1nscc1C(=O)N1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 191193440 AJZRFAFEFQTZTO-KBPBESRZSA-N 330.409 2.782 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2cc[nH]c2C2CC2)nn1 643906916 HGMIXCRQIUOHGY-OAHLLOKOSA-N 325.416 2.725 0 50 EFAA CC(C)c1nc2c(n1C)CCN([C@H]1CCc3ccccc3NC1=O)C2 192012205 YSFPHKIEPMZCCA-SFHVURJKSA-N 338.455 2.855 0 50 EFAA CCCOc1ccc2c(c1)CCN([C@@H](C)c1nnnn1C1CC1)C2 192120679 LCLOZHWBIMQEQV-ZDUSSCGKSA-N 327.432 2.916 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1CCCC(=O)O 656524040 CPASVHCQGQYXNS-CYBMUJFWSA-N 343.420 2.932 0 50 EFAA C[C@H](c1ccccc1)n1nccc1NC(=O)CCN1CCCCC1=O 1506406010 DGDADTJDTABAIY-OAHLLOKOSA-N 340.427 2.834 0 50 EFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)c1cc(=O)cc(C)[nH]1 1506420414 DLDLNYAOOGSSSI-UHFFFAOYSA-N 338.411 2.573 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(Cl)cc3F)CCN12 1529180465 JLAMHDSEMQPVNB-UONOGXRCSA-N 340.826 2.804 0 50 EFAA Cc1nc(CC(C)C)cc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)n1 1614987156 NZVXQAZFMIAGGJ-AEFFLSMTSA-N 332.492 2.642 0 50 EFAA COc1ccc2c(c1)c(C(=O)NCc1[nH]nc3ncccc13)c(C)n2C 1772817991 KXEXDVCGYMPYAF-UHFFFAOYSA-N 349.394 2.697 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(OC(F)(F)F)cc1 1772709725 LZIGPYRSIPZSKN-DGCLKSJQSA-N 328.334 2.780 0 50 EFAA CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 13709859 VJAAVFJQRAFEOM-LBPRGKRZSA-N 339.819 2.909 0 50 EFAA COC[C@H]1CCCN(C(=O)c2coc(COc3ccccc3F)n2)C1 14951395 MOWDNIWFCIKLQW-ZDUSSCGKSA-N 348.374 2.891 0 50 EFAA CCCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 16623509 AVLZVISOKXHTDH-UHFFFAOYSA-N 346.452 2.647 0 50 EFAA COc1ccc(N2C(=O)C[C@H](NCc3ccc(Cl)cc3)C2=O)cc1 18190537 HOBDKWMUZCTUHR-INIZCTEOSA-N 344.798 2.770 0 50 EFAA CN(Cc1ccc(F)cc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 19789742 HBEPDKZZACTCAJ-UXHICEINSA-N 340.442 2.995 0 50 EFAA CCCCn1nc(CC(N)=O)nc1[C@@]1(c2cccs2)CC1(C)C 1857668463 RGYZCQQPDXLMJL-KRWDZBQOSA-N 332.473 2.884 0 50 EFAA CCn1ccc2cc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)ccc21 1857669644 DWABTZDIGXDWGU-QFBILLFUSA-N 328.412 2.584 0 50 EFAA CC(C)[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 115097526 SCLILCKTYUTVPP-BLLLJJGKSA-N 343.876 2.978 0 50 EFAA Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc(-c3nnc[nH]3)no2)s1 123070070 DIBXICSNFLHVJH-SNVBAGLBSA-N 346.416 2.742 0 50 EFAA CCOc1cc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)ncn1 126338261 RJFDTYQHGRVVIM-HNNXBMFYSA-N 340.427 2.522 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCO1 238194864 ZNAZVQSENVAGEK-QGZVFWFLSA-N 339.391 2.521 0 50 EFAA Cc1[nH]ncc1C(=O)N1CCOc2ccc(Br)cc2C1 252510443 ZKZLBKSPGUGZQN-UHFFFAOYSA-N 336.189 2.515 0 50 EFAA CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]ncc2C1 252504244 VISGXDXCCYSUQV-MRXNPFEDSA-N 342.443 2.562 0 50 EFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3nc(N(C)C)no3)C2)cc1 367760217 YUNZGHQYLXFONA-DZGCQCFKSA-N 343.431 2.532 0 50 EFAA COc1nc(C)nc(N2CCCN(C(=O)c3ccsc3)CC2)c1C 159347958 BPYOJFFBTMYIFS-UHFFFAOYSA-N 346.456 2.516 0 50 EFAA CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C(=O)O)cc1 390534329 ZQIYCNRBKIXGNA-MRXNPFEDSA-N 331.393 2.693 0 50 EFAA C[C@H](c1ccc(C(=O)O)o1)N1CCn2ncc(Br)c2C1 851708919 AXETXGVJMLHPOC-MRVPVSSYSA-N 340.177 2.514 0 50 EFAA CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1O 44941185 HTDXSIZCZUGTAG-RBUKOAKNSA-N 330.472 2.661 0 50 EFAA N[C@H](c1cn(Cc2c(Cl)cncc2Cl)nn1)[C@@H]1CCCCO1 2325761171 FFJHNWSNUBXMNJ-UONOGXRCSA-N 342.230 2.597 0 50 EFAA NC[C@H](C(=O)N1CCC[C@H]([C@]23CC[C@H]2CCN3)C1)C1CCCCCC1 2325769064 DOERIMDPMKKUDI-IWFBPKFRSA-N 347.547 2.912 0 50 EFAA C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc2c(nn1)CCCC2 2325792531 NQUOPEOPSVFBGA-QGHHPUGFSA-N 327.359 2.747 0 50 EFAA Cc1nc(-c2ccc(C(=O)NCCc3c[nH]c4cccnc34)cc2)n[nH]1 2325823980 KLNQYYIDPCFSDL-UHFFFAOYSA-N 346.394 2.629 0 50 EFAA Cc1cccc2c1C[C@H](N=c1[nH]c(-c3ccccn3)nc(N)c1C)CO2 2325871964 BKMPAABLQUCTOY-AWEZNQCLSA-N 347.422 2.575 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cs1 936229890 DUMQLAGGXSMNIQ-CYBMUJFWSA-N 346.456 2.548 0 50 EFAA Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2O)cc1C 456680 IIVZZLQNZZAIDJ-UHFFFAOYSA-N 330.409 2.901 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccccc1 467665 BHSNVNYFSDMJGJ-UHFFFAOYSA-N 345.351 2.508 0 50 EFAA COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC 496892 BCSZGEZMMAFVFE-UHFFFAOYSA-N 331.368 2.651 0 50 EFAA COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 582630 DSYGAHRSEODPMH-UHFFFAOYSA-N 325.773 2.927 0 50 EFAA CCN=c1[nH]c(C)c(C(=O)NCc2cccc3ncsc23)s1 2356136481 WNPJDOUIAMUZLG-UHFFFAOYSA-N 332.454 2.845 0 50 EFAA CCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 2816942 IRCCFKPMJARIER-LGMDPLHJSA-N 342.395 2.975 0 50 EFAA Cn1nnnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12 4851979 WMTSEHCMHJSURK-UHFFFAOYSA-N 339.380 2.840 0 50 EFAA CCc1noc(CCNC(=O)COc2ccccc2[C@@H](C)CC)n1 55369803 IVCKSTPHKVOUSH-ZDUSSCGKSA-N 331.416 2.883 0 50 EFAA COc1cccc(OCC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 225677745 WUJRICGZYNOKLU-YJBOKZPZSA-N 345.370 2.548 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@H]2C(=O)O)c1)C1CCCC1 55089434 ZLZZLLJECAJHJE-HNNXBMFYSA-N 330.384 2.505 0 50 EFAA c1cncc(-c2n[nH]cc2CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 344868093 UYCPLEAJMZRKPH-AWEZNQCLSA-N 336.399 2.722 0 50 EFAA COc1ccc(COC[C@H](O)CN[C@H]2CCCC[C@H]2C)cc1OC 248001080 SNFRWFGWZKWUJE-OIISXLGYSA-N 337.460 2.750 0 50 EFAA CCc1oc(C(=O)NCc2cnc(C)cn2)cc1CN(CC)CC 55403155 LYPBNVARDHVLRW-UHFFFAOYSA-N 330.432 2.712 0 50 EFAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C21CC1 102007365 VRAZBXMFHOIQOO-MGPQQGTHSA-N 344.480 2.975 0 50 EFAA CC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1 22608932 FTFMHPZGBIOWQX-UHFFFAOYSA-N 334.379 2.584 0 50 EFAA O=C(c1csc2nc(-c3ccc(Cl)cc3)cn12)N1CC[C@@H](O)C1 20454022 UZPKZTVWPHTQRC-GFCCVEGCSA-N 347.827 2.923 0 50 EFAA O=C([C@H]1CCOc2ccccc21)N1CC[C@H](OCc2ccncc2)C1 172246036 ARTRWBAWSYCLOW-WMZOPIPTSA-N 338.407 2.765 0 50 EFAA COC[C@@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)c1csc(C)n1 65507356 FMYGJMPLJUVKTC-LLVKDONJSA-N 348.424 2.858 0 50 EFAA O=C(Cn1c(C2CC2)nc2ccccc21)N[C@@H]1CCN2CCCC[C@@H]12 229315958 AMCGYDODQNQYOK-SJORKVTESA-N 338.455 2.657 0 50 EFAA Cc1cnn(C[C@@H]2CCCN2[C@@H](C(=O)NC(C)C)c2ccccc2)c1 229491441 MKCDOYHBOLFZQY-RBUKOAKNSA-N 340.471 2.922 0 50 EFAA COc1ccc(F)cc1-c1csc(NC(=O)CNCC2CC2)n1 151487249 RBBSDUPWLBAVQA-UHFFFAOYSA-N 335.404 2.896 0 50 EFAA CCN(CC)[C@H](CNC(=O)CCC(=O)NC1CCCC1)c1ccco1 123520693 DBGRPLCXAIABCJ-MRXNPFEDSA-N 349.475 2.618 0 50 EFAA Cc1cc(O)c(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cn1 282055764 CZHKEWMUMVFEJB-SFHVURJKSA-N 346.814 2.881 0 50 EFAA O=C(COc1cc(F)cc(F)c1)N1CCC[C@]2(CCCOC2)C1 354904209 RQPXBBFYJGKYNZ-KRWDZBQOSA-N 325.355 2.763 0 50 EFAA CC(C)(CC(=O)N1CCC2(CC1)OCCC[C@@H]2O)c1ccccc1 216290546 LRXVQHNZZDXVNO-KRWDZBQOSA-N 331.456 2.887 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cccc(C(N)=O)n1 125609081 HIBABPQQTBHOMF-CYBMUJFWSA-N 342.399 2.917 0 50 EFAA O=C(CNC(=O)c1cc2ccccc2[nH]1)NC1CCC(F)(F)CC1 331474912 WNVPGIDXKOVWPE-UHFFFAOYSA-N 335.354 2.592 0 50 EFAA C[C@@H](O)CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 361059793 NNMVRVNWKGUJOL-GMSGAONNSA-N 344.255 2.989 0 50 EFAA CC1(C)C[C@H](NC[C@@H](O)COc2cccc3[nH]ccc23)C(C)(C)O1 132590047 QIFXQNIQUWSMRA-DYVFJYSZSA-N 332.444 2.843 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3ccc(F)cc32)c2nccn21 333234690 OZHFSLICYDLQRH-DDTOSNHZSA-N 330.363 2.851 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3noc(C4CC4)n3)C2)CCC1=O 77439168 HTSRFURHEPTLJK-IBGZPJMESA-N 346.475 2.952 0 50 EFAA Cc1ccc2ncnc(N3CCC(c4nc(N(C)C)n[nH]4)CC3)c2c1 285610228 MFCVAUNOWXJKMJ-UHFFFAOYSA-N 337.431 2.506 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](O)C2)nc(-c2ccc(Cl)cc2)n1 156542404 OYTMVPSXVVACGQ-AWEZNQCLSA-N 331.803 2.702 0 50 EFAA Cc1nc(CN2CCC(Oc3ccc(F)cc3C)(C(=O)O)CC2)co1 72476074 SQAOTPSQNVLWOC-UHFFFAOYSA-N 348.374 2.929 0 50 EFAA Cc1cc2c(cnc3ncnn32)c(=O)n1-c1cccc(C(F)(F)F)c1 38783910 SABIJXLRTGGEMA-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 373897484 BTCCVLGIDAFYQU-WNRNVDISSA-N 325.412 2.595 0 50 EFAA CCCCNC(=O)[C@@H](C)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 495656272 ITDMGYVDRLTIOK-KDOFPFPSSA-N 341.496 2.528 0 50 EFAA C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 284111466 CIYHYEHEOJYIAR-CXUGXGMPSA-N 335.469 2.889 0 50 EFAA Cc1nn(CC(=O)N[C@@H](c2cccnc2)C(F)(F)F)c(C)c1C 216453865 WDYXYNYUVMPPMV-AWEZNQCLSA-N 326.322 2.623 0 50 EFAA Cc1cc(C)n2ncc(CN3CCCC[C@@H]3CCn3cccn3)c2n1 216138703 HCHBZKDVILXZPJ-GOSISDBHSA-N 338.459 2.987 0 50 EFAA Nc1ccsc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72479093 URKPLSSUXCZPMO-MRXNPFEDSA-N 341.480 2.646 0 50 EFAA COCc1ccc(NC(=O)NCCC(=O)Nc2cccc(C)n2)cc1 241776842 RTBWTDYJAFJAOX-UHFFFAOYSA-N 342.399 2.687 0 50 EFAA Cc1nc(NCc2ccc3c(c2)OCCCO3)cc(C2CC(O)C2)n1 218962101 ZYWXMIKQZDXMIX-UHFFFAOYSA-N 341.411 2.797 0 50 EFAA COC[C@H]1CN(C(=O)/C=C(\C)c2cccc(OC)c2)CC(C)(C)O1 285391548 FIVUCTFAKQNLMF-RKCSUWQLSA-N 333.428 2.751 0 50 EFAA COc1ccc([C@H](NC(=O)C2CCC(F)(F)CC2)C(=O)O)cc1F 263120039 SDUWQVNDMHGDLJ-ZDUSSCGKSA-N 345.317 2.902 0 50 EFAA c1sc(N2CCCC2)nc1CN[C@H]1CCOC2(CCOCC2)C1 82091317 JFWVEHQFFYNJDX-AWEZNQCLSA-N 337.489 2.561 0 50 EFAA COc1cc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)ccc1C 286886812 OSQNQUQTRVJGDU-KZNAEPCWSA-N 347.455 2.589 0 50 EFAA Cc1nccn1C[C@H]1CCCN1c1nnc(-c2ccccn2)s1 225597013 OGLCMXIPMLOJQO-CYBMUJFWSA-N 326.429 2.774 0 50 EFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(=O)cc(C)o1 223121170 HEECBDFXWPOHRX-HNNXBMFYSA-N 343.379 2.989 0 50 EFAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nnc(-c3ccco3)o2)C1 178901215 JBKVJLRKIWGSIP-SMDDNHRTSA-N 347.321 2.916 0 50 EFAA Cn1cc(C(=O)NC2CCCCC2)c(C(=O)NC2CCCCC2)n1 20617152 FPJFJZYIIUPNAP-UHFFFAOYSA-N 332.448 2.545 0 50 EFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426612276 FWCIHMNFTSKRKT-UONOGXRCSA-N 327.384 2.536 0 50 EFAA Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(OCCCN)c2)cn1 426707563 YZEFWXZMVXHKEA-HNNXBMFYSA-N 327.428 2.917 0 50 EFAA CCc1noc(CN(CC)C(=O)c2ccc([C@@H]3CCCNC3)cc2)n1 95386439 IVERHQVTKGNUQP-MRXNPFEDSA-N 342.443 2.761 0 50 EFAA CCSc1nc(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cs1 95524772 BWWBPRWOHPDLLY-NSHDSACASA-N 336.486 2.927 0 50 EFAA COc1cc(OC)c(C(=O)N[C@H]2COC3(CCCCC3)C2)cc1OC 426370271 COQYRRPCPBGSCP-CYBMUJFWSA-N 349.427 2.934 0 50 EFAA O=C(NC[C@H](CO)Cc1cccs1)Nc1ccc2c(c1)CCC2=O 96139621 RFRNDXNFSNREPH-GFCCVEGCSA-N 344.436 2.850 0 50 EFAA O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2cc[nH]n2)cc1 96160026 YKHQRJIJOWDKLM-UHFFFAOYSA-N 335.363 2.778 0 50 EFAA COCC(C)(C)CNC(=O)Nc1cccc(CCC(=O)N(C)C)c1 96137603 PXGIIYZUFBFABS-UHFFFAOYSA-N 335.448 2.502 0 50 EFAA CC(C)Oc1cc(N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)nc(N)n1 244899552 ZLPRGVNTSXPIGD-RWSFTLGLSA-N 334.445 2.832 0 50 EFAA N[C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1 247754985 VUCWSVNKPJNBLP-ZOWXZIJZSA-N 329.400 2.587 0 50 EFAA CC1=C2CCCC[C@]23[C@@H]1[C@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21 253588240 REOSPZRTUYDXNG-WIRSXHRWSA-N 347.418 2.973 0 50 EFAA Cc1cc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3[nH]2)no1 252495441 OQIDVSZNUCVLNE-CQSZACIVSA-N 325.372 2.635 0 50 EFAA CC(C)c1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1 253412102 PWTIUWDTDFPONY-UHFFFAOYSA-N 334.445 2.998 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)N(C)Cc1cc(C(C)C)no1 299770233 OEPYMPWHOGUNMT-UHFFFAOYSA-N 332.404 2.502 0 50 EFAA CCc1ocnc1C(=O)Nc1ccc(NC(=O)COC)c(Cl)c1 824313008 IKVOIXPMBRLBNX-UHFFFAOYSA-N 337.763 2.728 0 50 EFAA Cc1cnccc1CNS(=O)(=O)C[C@@H]1C[C@H]1Cc1ccccc1 1875298224 SFSYSIKCCUKBEQ-MSOLQXFVSA-N 330.453 2.688 0 50 EFAA COc1ccnc(C(=O)N[C@@H](C)Cc2nc(-c3ccccc3)no2)c1 1875253942 PARCEEJXVNTWRW-LBPRGKRZSA-N 338.367 2.501 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C[C@H]2CCc3ccccc3C2)C1 1875391843 KBZUZCHVLURMCW-JCGIZDLHSA-N 327.428 2.945 0 50 EFAA CC[C@@H](NC(=O)c1ccc2c(Br)cncc2c1)C(=O)O 1875339869 AZUBJYQLOIYLHO-GFCCVEGCSA-N 337.173 2.590 0 50 EFAA O=C(O)C[C@H](NS(=O)(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 1875362532 JCCMGFHAVLMXGD-ULQDDVLXSA-N 345.420 2.678 0 50 EFAA COc1cnc(C2(NC(=O)Nc3ccc(F)cc3)CCCC2)nc1O 952878866 DUJRHNUGPLIZCK-UHFFFAOYSA-N 346.362 2.921 0 50 EFAA CSc1cccc(CN(C(C)C)S(=O)(=O)N2CCCC2)c1 952970928 QWXNRSVGLRPBJE-UHFFFAOYSA-N 328.503 2.960 0 50 EFAA CCn1ncnc1-c1ccc(C(=O)N2CCOC[C@@H]2CC2CC2)cc1 886474804 YVRDODLHPIZMAT-KRWDZBQOSA-N 340.427 2.606 0 50 EFAA Cc1[nH]ccc(=NCc2nccc(C(F)F)n2)c1Br 893878351 PZLVDICXRLDIJW-UHFFFAOYSA-N 329.148 2.914 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1 868319728 QQXPVFAGJVSQGP-HNNXBMFYSA-N 340.383 2.870 0 50 EFAA C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1nc(C(F)(F)F)n[nH]1 1434394652 YUOJPVYIJOBJMB-ZCFIWIBFSA-N 329.282 2.570 0 50 EFAA CC[C@H](NCc1cc(O)ccc1Br)[C@H](O)C(F)(F)F 270858928 CIBRENJAWCOLMY-QWRGUYRKSA-N 342.155 2.946 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1CC(=O)c1cccs1 185809321 FAINCUQZWZFPQG-ZDUSSCGKSA-N 331.441 2.895 0 50 EFAA Cc1ocnc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275589422 GECNGHYFDOMTOF-MRXNPFEDSA-N 328.416 2.505 0 50 EFAA O=C(NCCC1=CCCCCC1)N1CCCN(C(=O)C2CC2)CC1 186672477 KVKRNWCJSGGRMK-UHFFFAOYSA-N 333.476 2.921 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473709 JJHALIIZMQVFTB-KDOFPFPSSA-N 329.444 2.983 0 50 EFAA CCC[C@@H](C(=O)NCc1cc(O)nc(O)n1)c1ccc(Cl)cc1 633521391 PRDRCFXQNINGBT-CYBMUJFWSA-N 335.791 2.741 0 50 EFAA O=C([C@@H]1C[C@H]1C1CC1)N1CCC(c2nnc(S)n2C2CC2)CC1 170655880 AUDFSTXKCZIHJY-UONOGXRCSA-N 332.473 2.654 0 50 EFAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 170652199 YEMFPVJCUUZINO-CYZMBNFOSA-N 332.473 2.654 0 50 EFAA CS(=O)(=O)c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1 280630273 XJULBBGRLWBAPH-UHFFFAOYSA-N 344.480 2.802 0 50 EFAA O=C(O)Cc1csc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n1 685019672 WSXJZUBSSMFNBW-DYVFJYSZSA-N 328.393 2.613 0 50 EFAA Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccoc1Cl 192350431 SAOAKKLOWPRKDK-UHFFFAOYSA-N 348.786 2.966 0 50 EFAA CN1CCO[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)C1 194750064 MQYXWZXWRINDHH-INIZCTEOSA-N 326.396 2.539 0 50 EFAA COc1cc(C(=O)N2CCn3c(nc(C)c3C)C2)c2ccccc2n1 668965147 AWFZXGNCFDXAAA-UHFFFAOYSA-N 336.395 2.713 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1c(O)nc(C)c(C)c1C 1506431677 VDHJTDQTJICPMB-OAHLLOKOSA-N 329.400 2.567 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O 1506421106 WANLXHFAOYAFAA-STQMWFEESA-N 347.864 2.629 0 50 EFAA Cn1nccc1C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212066584 SURJPJCBPMRFLY-MJGOQNOKSA-N 335.407 2.564 0 50 EFAA CC(C)N(C)C(=O)N1CCC(n2cc(Br)cn2)CC1 242167659 WYMGEHJJKANQAK-UHFFFAOYSA-N 329.242 2.743 0 50 EFAA CN(C)c1nc(NC[C@@H]2CCCN(Cc3ccco3)C2)ncc1F 1772710485 ARPJBBVFWMWMDY-ZDUSSCGKSA-N 333.411 2.599 0 50 EFAA CCCOc1ccccc1-c1nnc(N[C@H](C)Cn2cncn2)o1 1772705265 ROSWFVQNHKKTAU-GFCCVEGCSA-N 328.376 2.618 0 50 EFAA Cn1cnc2ccc(-n3ccnc3-c3ccccc3OCC(=O)O)cc21 1775980359 ZLSORJODJOBMIK-UHFFFAOYSA-N 348.362 2.889 0 50 EFAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=S)NC1CCCCC1 5731708 UALRNLKZKLAVGU-MRXNPFEDSA-N 345.468 2.960 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F 11813101 QDVUFYHJOHPSHZ-CYBMUJFWSA-N 346.358 2.866 0 50 EFAA Cc1c(C(=O)NCC(C)C)sc2ncnc(NC[C@@H]3CCCO3)c12 12079910 DQBPPTPWFKMSMK-LBPRGKRZSA-N 348.472 2.976 0 50 EFAA O=C(CC[C@H]1CCCN(C(=O)CCc2cccs2)C1)NC1CC1 12613011 NRWFFXLXDWVUOV-CQSZACIVSA-N 334.485 2.978 0 50 EFAA O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1cccnc1 13329121 CPTNBWGVPFSOLA-UHFFFAOYSA-N 327.409 2.776 0 50 EFAA COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19365160 HIOVFUOGTLZEDY-UHFFFAOYSA-N 340.423 2.742 0 50 EFAA biogenic CCC[C@@]1(CO)CN(C(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1O 1857735459 OQHLIALROBHGRD-ZBFHGGJFSA-N 345.361 2.691 0 50 EFAA O=C(c1ccc(Cl)s1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 216614900 DXEGBZJXQMWAOL-NEPJUHHUSA-N 348.859 2.933 0 50 EFAA Cc1nc(=NC(=O)CCc2c(C)noc2Cl)n(-c2ccccc2)[nH]1 408513111 TYADLLWOVVMGNP-UHFFFAOYSA-N 345.790 2.519 0 50 EFAA Cc1csc(C(C)(C)NC(=O)Cc2ccc3c(c2)OCCO3)n1 116145763 SCMZDZCIQHVRFJ-UHFFFAOYSA-N 332.425 2.817 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 320369205 IQGLJKGYFNDJPM-HNNXBMFYSA-N 338.835 2.676 0 50 EFAA Cc1cc([C@@H](C)NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)o1 128177467 XKCIUIIYYWIJLL-CYBMUJFWSA-N 333.432 2.611 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1 238059592 MDUOMOOTWIXOOY-ZDUSSCGKSA-N 349.383 2.870 0 50 EFAA O=C(O)[C@]1(c2ccccc2)CCN(Cc2ccc(-c3cc[nH]n3)o2)C1 901830813 UWAQXEWWJAMDMO-LJQANCHMSA-N 337.379 2.898 0 50 EFAA CCc1nn(CC(=O)NCc2ccco2)c(CC)c1Br 1875275605 BXCKTCXENLHZRJ-UHFFFAOYSA-N 340.221 2.680 0 50 EFAA Cc1cn2c(=O)cc(CN3CCC[C@H]3c3c(C)n[nH]c3C)nc2s1 930128230 ZGPLMFDEHASHGL-AWEZNQCLSA-N 343.456 2.741 0 50 EFAA Cc1cc(=NC(=O)N2CC[C@H](c3noc(C)n3)C2)c2ccccc2[nH]1 930614997 PGHXXZMAOGQUQI-ZDUSSCGKSA-N 337.383 2.678 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H](c3ncon3)C3CC3)cc2)n1 1262210434 WIQFGPATARZZLV-INIZCTEOSA-N 337.383 2.753 0 50 EFAA O=C(Nc1cc(Cl)ccc1O)c1cc2c(nc1O)CCC[C@H]2O 857841598 OQKWPUFZQXIYRL-CYBMUJFWSA-N 334.759 2.768 0 50 EFAA C[C@H](CN(C(=O)c1cc(F)ccc1Br)C1CC1)C(=O)O 237372322 WPXAYMVIHDRCKG-MRVPVSSYSA-N 344.180 2.914 0 50 EFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(Cc2ncc[nH]2)CC1 2100545160 QXQKLLFADHNXRH-UHFFFAOYSA-N 341.459 2.683 0 50 EFAA Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccccc1N=S(C)(C)=O 2325761972 RDVIVGWQEBXQCF-LBPRGKRZSA-N 346.456 2.838 0 50 EFAA CO[C@]1(C(F)(F)F)C[C@H](CN2CC[C@@H](C(N)=O)c3ccccc32)C1 2325797357 GYCLIQOIXBKVOZ-KFNAQCHYSA-N 342.361 2.823 0 50 EFAA O=C1C[C@H](c2cccc(-c3cccc(Cn4ccnc4)c3)c2)NC(=O)N1 2325899093 NLMDACFEVBBROE-GOSISDBHSA-N 346.390 2.869 0 50 EFAA CNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 127015352 LQUXNKHRHPDFMT-SECBINFHSA-N 348.752 2.957 0 50 EFAA O=C(Cc1ccccc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 302763 APWDLWXTHWLIBK-MRXNPFEDSA-N 349.312 2.512 0 50 EFAA CC1CCN(C(=O)c2cccn3c(=O)c4sccc4nc23)CC1 423043 BGRLMLNONBGFGH-UHFFFAOYSA-N 327.409 2.781 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)cc2OC)C1 456957 SRTQKLISBSBJNV-LBPRGKRZSA-N 337.441 2.832 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc3cccc(Cl)c3n1)C2 2356166851 CBFQDQIHUZZQOK-UGSOOPFHSA-N 346.814 2.623 0 50 EFAA COc1cc(CNCCO)cc(Br)c1OC1CCCC1 4868146 OONMNHWAPZCVML-UHFFFAOYSA-N 344.249 2.861 0 50 EFAA C[C@@H]1CCC[C@@H](OCC(=O)NCCC(=O)OC2CCCCC2)C1 225761535 VPTLJDCJBHPJRQ-GDBMZVCRSA-N 325.449 2.964 0 50 EFAA CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2C=CCN2)c1 55061022 INIRSAHJAVPRQO-GOSISDBHSA-N 335.407 2.968 0 50 EFAA COc1cccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1 20801001 DNWUPJZTPRJRKU-UHFFFAOYSA-N 340.379 2.791 0 50 EFAA Cc1ccccc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 101436625 OOWLATBGBPVOEG-GASCZTMLSA-N 326.396 2.665 0 50 EFAA CCC1=NO[C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1 65404375 VWXUEDZPWWDRMF-QGZVFWFLSA-N 340.427 2.703 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccc(F)cc3)nc2c1 348265976 XPFSBZNMPREHGC-DOTOQJQBSA-N 339.370 2.730 0 50 EFAA Cc1cc(-c2nn3c(CN(C)Cc4ccccc4)nnc3s2)no1 65363811 GZBZCPPAOIUHLW-UHFFFAOYSA-N 340.412 2.781 0 50 EFAA Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(Cl)s1 119458576 VCRXPORQZKGGOC-LLVKDONJSA-N 331.846 2.722 0 50 EFAA CC(=O)N1CCC(N(C)[C@@H]2CCCN(CCc3ccccc3)C2)CC1 23360922 BMGNUPJFKYMQHY-OAQYLSRUSA-N 343.515 2.636 0 50 EFAA O=S(=O)(CCCN1CCO[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 230132494 QIJNNTPSGBQNRG-HZPDHXFCSA-N 343.876 2.757 0 50 EFAA C[C@H](c1ccco1)N(C(=O)NC[C@@H](C)N1CCOC[C@H]1C)C1CC1 252477446 OCEFUWPRERFHRM-RBSFLKMASA-N 335.448 2.624 0 50 EFAA CCC(CC)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 67612285 ZXVUHKGOPXNRKI-UHFFFAOYSA-N 332.853 2.654 0 50 EFAA Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 1052281 JUBQUTBEDDTLHX-UHFFFAOYSA-N 333.413 2.973 0 50 EFAA Cc1cc2nc(C(C)C)cc(NCc3cccnc3-n3cncn3)n2n1 72409177 IUEHMAJCOFYVRC-UHFFFAOYSA-N 348.414 2.749 0 50 EFAA O[C@@H]1CCCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 4520803 MREBZHCOJWWBPD-GFCCVEGCSA-N 327.306 2.712 0 50 EFAA CCc1ncc(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)ccc32)s1 332055783 NZBTVWZIQKKRLQ-LLVKDONJSA-N 338.454 2.990 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 331857341 FKZQPBKMFOYLDB-SJCJKPOMSA-N 347.365 2.574 0 50 EFAA Cn1c([C@H]2CCCN(C(=O)C(=O)c3ccco3)C2)nc2ccccc21 215340810 NREGTWLILPQSQZ-ZDUSSCGKSA-N 337.379 2.755 0 50 EFAA COc1cccc(CC[C@@H]2CCCN(C(=O)CNC(=O)C(C)C)C2)c1 71707746 CORPVXCAKICITH-KRWDZBQOSA-N 346.471 2.639 0 50 EFAA C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)c2ccccc2N(C)C1=O 365571720 JJMFOPKIUYZBRP-CQSZACIVSA-N 348.406 2.523 0 50 EFAA Cc1n[nH]c(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1C 127130711 WVMNJLGVQKDPOP-UHFFFAOYSA-N 333.335 2.987 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1CC1=Cc2ccccc2OC1 367447440 BSPBQRDTGZLAAO-KRWDZBQOSA-N 325.412 2.876 0 50 EFAA CCc1nc(N[C@H](CO)Cc2ccc(Cl)cc2)c2cnn(C)c2n1 72156836 FHAQQTHOVGQERW-ZDUSSCGKSA-N 345.834 2.595 0 50 EFAA CCCc1n[nH]cc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 72474806 JAIGNDGVFVXEJH-UHFFFAOYSA-N 325.372 2.684 0 50 EFAA Cc1ccc(C)c(C(=O)N(Cc2cncnc2)[C@@H]2CCCNCC2)c1 261766191 MCMQNOAIUPJKNB-GOSISDBHSA-N 338.455 2.878 0 50 EFAA Cc1nc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)no1 286219801 LFMOKVCQXIYWLE-VIFPVBQESA-N 331.298 2.593 0 50 EFAA COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc(C2CC2)on1 457367018 WHSNBCKLKIMHDL-KSSFIOAISA-N 341.411 2.865 0 50 EFAA COc1cccc(-n2cc(CN(C)C(=O)CSCC3CC3)cn2)c1 72474067 ADYYIBINABPWJH-UHFFFAOYSA-N 345.468 2.983 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@@H](N4CCCC4=O)C3)ccc2O1 71763842 FQMATKPSSGXESO-QGZVFWFLSA-N 328.456 2.987 0 50 EFAA COc1cccc(Cc2nnc(NC(=O)[C@@H]3O[C@@H](C)C[C@H]3C)s2)c1 239762040 CKPIHIGXRWGUMT-JRPNMDOOSA-N 347.440 2.890 0 50 EFAA Cc1[nH]c2c(C(=O)N3CCc4c(ncnc4N(C)C)C3)cccc2c1C 71730311 RUTGXVLGIBOFRE-UHFFFAOYSA-N 349.438 2.839 0 50 EFAA O=C(c1nc(N2CCCC2)ncc1Cl)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 240626780 HJCJEOXGPIPLKS-OHTBPHCPSA-N 332.835 2.601 0 50 EFAA COc1c(F)cc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)cc1F 72454567 YMSJOIFNIVKDJR-LSDHHAIUSA-N 341.398 2.786 0 50 EFAA CCn1cc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cn1 174649187 RHWWKWQQDFIDAU-UHFFFAOYSA-N 332.379 2.870 0 50 EFAA O=C(c1ccc(Oc2ccccc2)o1)N1CCO[C@@H](c2ncon2)C1 241774032 RMLBIIUGTWOKFO-CQSZACIVSA-N 341.323 2.669 0 50 EFAA CC(C)OC(=O)[C@@H](C)CNC(=O)c1c(F)cccc1Br 176942185 TZTDJHQONYZEPC-VIFPVBQESA-N 346.196 2.906 0 50 EFAA O=C1Nc2ccccc2NC12CCN(C1CSCCSC1)CC2 82155871 LJMRRMJYXPPWQS-UHFFFAOYSA-N 349.525 2.734 0 50 EFAA CCCN(CCc1ccccc1)c1cc([C@H]2CCOC2)nc(N)n1 426401711 JHLBJMDVTWSMLJ-INIZCTEOSA-N 326.444 3.022 0 50 EFAA COc1ccc(CNC(=O)N(C)CCc2scnc2C)cc1OC 426496988 SDNJZHMSXINVBG-UHFFFAOYSA-N 349.456 2.853 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 821544040 NFHDCFJRPNESRQ-LLVKDONJSA-N 349.374 2.803 0 50 EFAA Cc1cnc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 222589869 VFKLVMBFNNKXPE-KJXMEXGPSA-N 348.406 2.575 0 50 EFAA COc1ccnc(N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)c1 290154237 CPKNISIVPLDJTI-UHFFFAOYSA-N 340.427 2.571 0 50 EFAA Cc1ccc(C)c(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)c1 48156024 SWXJSOXRRODJCK-UHFFFAOYSA-N 342.443 2.600 0 50 EFAA CN(C)c1ncc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cn1 178901269 PUYHKKGRXAIAPD-HOTGVXAUSA-N 341.415 2.584 0 50 EFAA Cc1cc(CCC(=O)N(C)[C@H]2CCNC2)ccc1Br 179074925 HSTIVUWRNKVLKU-ZDUSSCGKSA-N 325.250 2.510 0 50 EFAA Cc1nn(C)c2nc(N[C@@H]3CCCN(Cc4cccnc4)C3)sc12 96142212 GKZIJJMBNYEGAS-CQSZACIVSA-N 342.472 2.810 0 50 EFAA CNc1ncc(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cn1 91657202 KOOZVBXLZAFNKU-LLVKDONJSA-N 330.457 2.977 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2cnn(C)c2N)cc1 426473343 CDRVBNVSEPDSKG-UHFFFAOYSA-N 339.399 2.546 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1 91596034 RIQZNEWKIKNBGF-XIKOKIGWSA-N 339.382 2.605 0 50 EFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N[C@@H](CO)c1ccccc1 95370839 KEIIRFVGAKTYBX-GBESFXJTSA-N 330.472 2.881 0 50 EFAA CCc1ccccc1OC1CN(C(=O)CCN2CCCCCC2=O)C1 91745535 ZYZNWWDXJSKVPW-UHFFFAOYSA-N 344.455 2.631 0 50 EFAA C[C@@H]1CCc2sc(C(=O)NCCCc3nnc(N)s3)cc2C1 91680316 MUXDASPCHQFGED-SECBINFHSA-N 336.486 2.669 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C(=O)O)C1 237641081 CTOHVKYCMBDABJ-VHSXEESVSA-N 329.755 2.570 0 50 EFAA C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CN 237405467 JCLBCMASETVZRV-CZUORRHYSA-N 345.418 2.999 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccccc2)no1 294292562 VQPJSOQBWHCKEY-ZNMIVQPWSA-N 327.384 2.954 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1CC(=O)NC1CCCCC1 244724037 MMKKSPGGIXDAJW-GOSISDBHSA-N 332.492 2.885 0 50 EFAA COc1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 252505668 VSMVPVMVWLJFRM-UHFFFAOYSA-N 346.408 2.845 0 50 EFAA O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1Cn1ccnn1 299746248 WBBXWGVJEVFKPA-KRWDZBQOSA-N 336.395 2.501 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ccc2c(n1)N(C)CC2 1940197480 TVOMHIUHYRUMHA-LBPRGKRZSA-N 328.441 2.646 0 50 EFAA C[C@H](CCC(=O)NC1(c2ccc(Cl)cc2)CC1)N1CCOCC1 299763449 VQVGBGWVIVFZOM-CQSZACIVSA-N 336.863 2.946 0 50 EFAA COCCc1noc(CNC(=O)C2(c3ccccc3)CCCCC2)n1 299799289 QMXCLMMENLSBGH-UHFFFAOYSA-N 343.427 2.777 0 50 EFAA CCn1ncnc1[C@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)C1CC1 299797080 TZNUTZQDNLFBMN-CQSZACIVSA-N 342.428 2.631 0 50 EFAA COc1ccccc1-c1ncc(CNS(=O)(=O)CC(C)C)s1 824834831 RJFYKMTUNZBEBI-UHFFFAOYSA-N 340.470 2.894 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 866455402 LHCQCJXOIVAZGO-JTQLQIEISA-N 344.337 2.817 0 50 EFAA C[C@H]1CN(C)C[C@@H](c2nc(-c3cccc(Br)c3)no2)O1 685942485 UHWSKSCXYPZWMP-CABZTGNLSA-N 338.205 2.891 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320094 GPOJSELYUAXPGB-HNNXBMFYSA-N 342.317 2.915 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](C)S2(=O)=O)cc(Cl)nc1Cl 1875370401 NPCOADHYSHSWJN-SSDOTTSWSA-N 337.228 2.651 0 50 EFAA COc1ccc(NC(=N)NC[C@H](CO)Cc2ccccc2C)cc1 1875255669 KONWGAHGNIEDGT-OAHLLOKOSA-N 327.428 2.791 0 50 EFAA Cn1c(=O)cc(-c2nc([C@@H](N)c3ccccc3)no2)c2ccccc21 1875253296 GGAYJMZJSWZJEL-KRWDZBQOSA-N 332.363 2.637 0 50 EFAA C[C@]1(C(=O)n2[nH]c(=N)c3cc(F)ccc32)OCCc2ccccc21 1875342522 VLRAQBQCQDHUPP-SFHVURJKSA-N 325.343 2.716 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc2c1CCC2=O 952984417 UYBUYLMVTPVSQI-UHFFFAOYSA-N 348.362 2.533 0 50 EFAA Cc1cc(NC(=O)c2csc(CN(C)C)n2)cc2sc(N)nc12 952973855 GPZIMMLBSAAJDU-UHFFFAOYSA-N 347.469 2.957 0 50 EFAA CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cn1ccc2ccc(F)cc21 888104987 TUTAMVKTARWDDC-SFHVURJKSA-N 342.370 2.678 0 50 EFAA Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c[nH]1 271445207 RKSZQBWSJBCZDM-OCCSQVGLSA-N 339.317 2.685 0 50 EFAA O=C(Cc1ccc2c[nH]nc2c1)N1Cc2ncccc2N2CCC[C@H]2C1 890627167 YCZMOBFRBFWJDU-INIZCTEOSA-N 347.422 2.512 0 50 EFAA CCO[C@H]1C[C@H]1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1364460328 XHVREPLFVRLVAB-SJORKVTESA-N 347.846 2.669 0 50 EFAA COc1nccnc1N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565513886 SHHJMRIPUYNCSZ-MSOLQXFVSA-N 335.407 2.993 0 50 EFAA C[C@H]1CCCN(C(=O)Cc2csc(SCCN(C)C)n2)[C@H]1C 1362341422 VYMFGGHBTXFTMZ-STQMWFEESA-N 341.546 2.986 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CCc2ccsc2)o1 275248666 CBTRXGYMDWIEIP-ZDUSSCGKSA-N 335.429 2.787 0 50 EFAA CC(C)[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 170046793 OTXDTAZXINVQHK-ZIAGYGMSSA-N 330.350 2.589 0 50 EFAA CC1(C)CC(=O)c2sc(Nc3ncnc4nccnc34)nc2C1 677001302 NBAKMPMXXMBFFO-UHFFFAOYSA-N 326.385 2.775 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 187543257 FYCQYTHSNPBAPO-GFCCVEGCSA-N 327.833 2.802 0 50 EFAA CCc1ccc(F)cc1C(=O)N1CCCN(CCOC(C)C)CC1 1196417557 WKEQDTQAMUOBBY-UHFFFAOYSA-N 336.451 2.961 0 50 EFAA COc1ccc2[nH]cc(C3CCN([C@@H](C)c4nnnn4C)CC3)c2c1 188882612 KIFVBLAZHXHCEN-LBPRGKRZSA-N 340.431 2.641 0 50 EFAA CS(=O)(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)O)c1)CCC2 643434610 LLMZTJZCCNATAM-UHFFFAOYSA-N 345.420 2.741 0 50 EFAA Cc1cc(S(=O)(=O)NCc2cccc3c2OCO3)sc1Cl 191907436 AVONOGKHVXASNB-UHFFFAOYSA-N 345.829 2.917 0 50 EFAA OC[C@H]1CCCCN1CCCNc1ccc(-c2ccccc2)nn1 1529158859 OGDPJVKNOJASTR-QGZVFWFLSA-N 326.444 2.792 0 50 EFAA O=C(O)c1c(N2CCC[C@@H](CO)C2)noc1-c1ccc(Cl)cc1 1704312487 DHWXCAYYPVVKIY-SNVBAGLBSA-N 336.775 2.902 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616076498 SEYRCVQMIQRJJH-YOEHRIQHSA-N 349.862 2.975 0 50 EFAA CCN(CCOc1ccc(C)cc1C)Cc1cnc(C(=O)O)cn1 1772706077 LRKRFKWPGYMRSL-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA O=S1(=O)C[C@H]2Sc3nc(-c4ccc(Cl)cc4)cn3[C@@H]2C1 5009551 FDLFVVXHBPTOQI-VXGBXAGGSA-N 326.830 2.647 0 50 EFAA CN(CCn1cccn1)Cc1cc2ccc(Cl)cc2n(C)c1=O 11782268 PSICSIPJGWEDPX-UHFFFAOYSA-N 330.819 2.520 0 50 EFAA Cc1nonc1C(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 12073438 PQTNJFTXIAVBFW-OAHLLOKOSA-N 335.367 2.642 0 50 EFAA O=C(CCN1CCCCO1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12302388 MLOSICPGFIJMEX-QGZVFWFLSA-N 335.423 2.646 0 50 EFAA COC(=O)Cc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 13497616 IYQYUSIMCJCILI-UHFFFAOYSA-N 344.436 2.897 0 50 EFAA COCC(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 15063672 LGMQIHRNIGCXGL-GFCCVEGCSA-N 329.318 2.773 0 50 EFAA O=C(NCc1nc(-c2cccnc2)no1)c1ccc2ncsc2c1 19774154 QOYCMCNPMIHWII-UHFFFAOYSA-N 337.364 2.671 0 50 EFAA CCn1nc2c(c1C(=O)NC1CCC(O)(CC)CC1)C[C@@H](C)O[C@H]2C 1857528319 ZXKNRNNYFZVFBT-YKFSMZDBSA-N 349.475 2.739 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCc2[nH]nc(C3CC3)c2CC1 1857679911 ADBBTCFMYAPHPE-UHFFFAOYSA-N 349.438 2.723 0 50 EFAA CCCCc1noc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)n1 420986765 YVHMQJAGTGSWBV-SFHVURJKSA-N 333.407 2.731 0 50 EFAA O=C(N[C@H](Nc1ncccn1)C(Cl)(Cl)Cl)c1ccco1 128230 BNYINSCAZVSNAK-SECBINFHSA-N 335.578 2.608 0 50 EFAA Cc1noc([C@H]2CN(c3ncc(Cl)cc3Cl)CCN2C)n1 408031800 PUKDGMOLYGEIIF-LLVKDONJSA-N 328.203 2.573 0 50 EFAA C[C@@H]1CC(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)C[C@@H](C)O1 221810225 FUWDIERXCYEWIT-MDZRGWNJSA-N 346.471 2.986 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 113093658 LQSXJCBZTJZIEF-UHFFFAOYSA-N 340.471 2.774 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2cccc(Cl)c2)n1 331984017 BNUUNJZNIJXCBS-BMIGLBTASA-N 335.791 2.563 0 50 EFAA CC(=O)NCc1ccc(C(=O)N(C)c2ccccc2N(C)C)cc1 128471576 FQBDKFFBRZYLHY-UHFFFAOYSA-N 325.412 2.665 0 50 EFAA CC1(C)C(=O)Nc2ccc(C(=O)N3CCC(n4cccn4)CC3)cc21 768956947 LGAHIFFWTUHOQW-UHFFFAOYSA-N 338.411 2.590 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 156242044 URWCFBMVASRWGG-WDEREUQCSA-N 331.243 2.958 0 50 EFAA O=S(=O)(c1cccc(NCc2nccn2C2CC2)c1)N1CCCC1 902562020 JWPDEIJWGBNAHN-UHFFFAOYSA-N 346.456 2.615 0 50 EFAA O=C(O)c1cccc(Br)c1CN1CCCCC[C@H]1CO 903934531 OSCBTAQNOWSIIN-NSHDSACASA-N 342.233 2.884 0 50 EFAA CC[C@](CNC(=O)c1ncc(C)cc1C)(C(=O)O)c1ccccc1 909843752 AVZNQGMXZVPOEK-LJQANCHMSA-N 326.396 2.861 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)N3CCCCCCC3)C2)[nH]c1C(=O)O 2325792406 YVOYHEHHBQSCNO-CQSZACIVSA-N 348.447 2.982 0 50 EFAA Cc1csc2c(C(=O)NCc3ccc([C@H](C)N)cc3)ncnc12 2325856241 HCWJRYGODVHVJU-NSHDSACASA-N 326.425 2.949 0 50 EFAA Cc1nc(-c2cc3c(cn2)OCCC3)n(-c2cccc3nc[nH]c23)n1 2325865458 CVKJDKIXHNPHII-UHFFFAOYSA-N 332.367 2.839 0 50 EFAA O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCOCC1 452380 GPNUNHZDGJKCPG-UHFFFAOYSA-N 330.620 2.668 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1 617851 MPXCHMNKTCTBCQ-CQSZACIVSA-N 338.473 2.501 0 50 EFAA COc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1 2503371 SIQXZMNYUPPNRL-UHFFFAOYSA-N 343.495 2.968 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)C1=O 2356139389 WZYFMHHVKBUDHY-GOSISDBHSA-N 329.375 2.534 0 50 EFAA CC[C@H](CO)NCc1ccccc1OCC(=O)Nc1ccc(C)cc1 4868115 YACANVFQRQJQLZ-QGZVFWFLSA-N 342.439 2.873 0 50 EFAA O=C(Nc1ccnn1Cc1cccc(Cl)c1)N1CCC[C@H]1CO 225424888 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O=C(CS(=O)(=O)c1ccccc1F)N[C@@H](c1ccccc1)C1CC1 195008019 OTHVZYIBJKKEAL-SFHVURJKSA-N 347.411 2.867 0 50 EFAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c[nH]nc2c1 195525577 QIAJCYDKVOVNSO-UHFFFAOYSA-N 343.408 2.999 0 50 EFAA Cc1cc(N2CCC[C@](CO)(CN(C)C)C2)c2cc(F)ccc2n1 1529185348 LKZKEJNSIGYKSY-IBGZPJMESA-N 331.435 2.823 0 50 EFAA CCc1cc(NC(=O)c2c(Br)cnn2CC)nc(C)n1 1857530661 AKOIGDDEMJZQGT-UHFFFAOYSA-N 338.209 2.579 0 50 EFAA COc1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cn1 1704337584 AQFWPBMSSQRQMX-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA CC[C@@]12C[C@@H]1CN(S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F)C2 1775981990 KZWIDWDBHCRWLT-CLAHSXSESA-N 347.795 2.598 0 50 EFAA O=c1c2nc(-c3ccccc3)oc2nc2nc(-c3ccccc3)[nH]n12 1775965311 ZTCDIOWRCWWCHO-UHFFFAOYSA-N 329.319 2.893 0 50 EFAA OCc1nc2ccc(-n3ccnc3-c3ccc4c(c3)OCO4)cc2[nH]1 1772804678 CNVQPIVPMAXZNJ-UHFFFAOYSA-N 334.335 2.637 0 50 EFAA CC(C)(C)c1ccc(OC[C@@H](O)C[S@@](=O)c2ccccn2)cc1 5563108 LJMQGOKEKNJUKB-CMJOXMDJSA-N 333.453 2.927 0 50 EFAA COc1cc(CNc2nn[nH]n2)ccc1OCc1ccccc1C 5019331 GWZROOMHUYPJSJ-UHFFFAOYSA-N 325.372 2.708 0 50 EFAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(C)=O)C2 11974248 MQSBLVDCVSAYRI-OAHLLOKOSA-N 339.391 2.888 0 50 EFAA O=C(Cc1ccncc1)N1CCO[C@H](Cc2ccccc2Cl)C1 12320517 FPBPJYQQIIWADG-MRXNPFEDSA-N 330.815 2.748 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)C(C)C)C2)c(C)c1 12715750 XRTOYWLSPUNFHS-AWEZNQCLSA-N 339.457 2.637 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 15074536 MQGOXTOEIPHFSG-QGZVFWFLSA-N 346.402 2.833 0 50 EFAA Cc1ncc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cn1 19771197 VDTZDPPMCWAVNF-UHFFFAOYSA-N 348.454 2.804 0 50 EFAA C[C@@H]1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21 169681438 MOZJOLXCYXDQSY-CQSZACIVSA-N 333.451 2.692 0 50 EFAA O=S1(=O)CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 1857688969 AAGORRNCNQTUQE-GFCCVEGCSA-N 331.372 2.597 0 50 EFAA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1occc1C 252517651 NXYOAOOKDBVFRZ-LSDHHAIUSA-N 328.478 2.516 0 50 EFAA COC[C@@H]1C[C@H](O)CN1[C@H](C)c1nc2ccccc2n1C(F)F 411926807 WQSZOPKPXHMKJH-WOPDTQHZSA-N 325.359 2.574 0 50 EFAA Cc1cc(NC(=O)N2CCOC[C@@H](C)C2)nn1-c1cccc(Cl)c1 348809766 LQENDPCSGCFXDY-LBPRGKRZSA-N 348.834 3.334 0 50 EFAA CCOC(=O)[C@](C)(O)CN1CCC[C@H]1c1nc2ccccc2s1 253428510 LDPQJFGTOAESDK-SUMWQHHRSA-N 334.441 2.747 0 50 EFAA CC(C)(O)CCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 363714611 QBIIZGPTOFWDTJ-ZDUSSCGKSA-N 339.867 2.627 0 50 EFAA O=C(O)c1coc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 262361827 JDBKJBTXOKJJIQ-CYBMUJFWSA-N 343.335 2.726 0 50 EFAA CCN(CC)C(=O)c1ccc(C(=O)OCc2cc(C(C)=O)no2)cc1 813133563 HTEILPCNYMZMQC-UHFFFAOYSA-N 344.367 2.716 0 50 EFAA Cc1cc(C(=O)NC2CCN([C@H](C)c3ncccn3)CC2)c(C)o1 929490544 NIOIWHRYPZIFPA-CYBMUJFWSA-N 328.416 2.642 0 50 EFAA O=C(Cc1cn2c(n1)CCCC2)NCCc1cnc2ccccc2c1 830890401 XZGQILWTLJWKPU-UHFFFAOYSA-N 334.423 2.669 0 50 EFAA COc1ccc(C)c2c1N(C(=O)COc1c(C)occc1=O)CCC2 931764502 RUMSFAOHIZHCON-UHFFFAOYSA-N 343.379 2.623 0 50 EFAA Cc1ccc(Br)c(C(=O)NCCc2ccc(CO)cc2)n1 935246533 KSEMQUDBEBATEI-UHFFFAOYSA-N 349.228 2.617 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)Nc1ccccn1 128893581 KQISJTNXSXXURN-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H](C)N1 153750532 IZMSAALUDPWRSA-VXGBXAGGSA-N 325.250 2.591 0 50 EFAA O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCO1 1422635 HYYXNIFDETUMBX-GOSISDBHSA-N 338.407 2.777 0 50 EFAA CN(C)c1cc(C(=O)N2Cc3ccccc3[C@H](O)C2)c2ccccc2n1 2100482144 AAQPWWUPCZNORI-LJQANCHMSA-N 347.418 2.990 0 50 EFAA COc1ccc(C(N)=O)cc1C(=O)Nc1ccc2c(c1)OCC2(C)C 2325791670 GKKZEOWKDIANNC-UHFFFAOYSA-N 340.379 2.716 0 50 EFAA Fc1ccc(Cc2nccc(=NCc3cccc4c3CCNC4)[nH]2)cc1 2325859118 OXPSPSSVIXXWNA-UHFFFAOYSA-N 348.425 2.886 0 50 EFAA COC(=O)c1cc(NC(=O)c2ccccc2F)cc(C(=O)OC)c1 255647 ZTGQOGHXVORBKB-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA S=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 621534 VTOQJSNOCQUEGP-UHFFFAOYSA-N 341.436 2.934 0 50 EFAA CC(C)c1ccc(CN2CCC[C@]23CCCN(CCO)C3=O)cc1 2356134468 OHRJIIPUPQTJEF-FQEVSTJZSA-N 330.472 2.759 0 50 EFAA O[C@H]1CCN(c2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)C1 2356140029 QMCOBAQTBIVJIB-NSHDSACASA-N 332.766 2.760 0 50 EFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 4694841 GYQQCYUTGJCZKK-URNIURQGSA-N 331.802 2.999 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)c1ccccc1 7608589 FMVWDNDZKQEZQW-AWEZNQCLSA-N 346.452 2.736 0 50 EFAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1Cc2ccccc2CO1 104300260 AWCKGOAGXDNJHN-ARFHVFGLSA-N 331.799 2.646 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cncnc2)C1 343851391 PBMLXDHHLQGYLZ-LBPRGKRZSA-N 325.338 2.609 0 50 EFAA CNC(=O)c1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)cn1 345669677 BMZGQQQJCGZVIQ-UHFFFAOYSA-N 338.411 2.959 0 50 EFAA COCCOCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(C)C 55042300 KHMUJPOSDFOATC-LJQANCHMSA-N 330.428 2.913 0 50 EFAA CCc1cc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n(C)n1 116510649 PZXVTXFLHHJZJA-UHFFFAOYSA-N 343.387 2.579 0 50 EFAA COc1cc(OC)cc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)c1 67434271 AXQWBSZVROZSGR-AWEZNQCLSA-N 327.384 2.711 0 50 EFAA Cc1cc(C)c(C)c(C(=O)N2CCN(CCn3ccnc3)CC2)c1C 55054663 QYIDKKOVUKADFT-UHFFFAOYSA-N 340.471 2.575 0 50 EFAA CC(=O)N[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2C)C1 420841778 MNUSZQLZXZQBOB-MRXNPFEDSA-N 331.460 2.501 0 50 EFAA O=C(c1cncc(-c2ccccc2)c1)N1CC[C@@](O)(C(F)(F)F)C1 135830019 RUHXCDAPIUZUAM-INIZCTEOSA-N 336.313 2.888 0 50 EFAA CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 136487266 UBNFVUWHGOMWHC-OAHLLOKOSA-N 346.427 2.542 0 50 EFAA Cc1ccc2cccc(C(=O)Nc3ccc(-c4nncn4C)cn3)c2n1 119085916 AXPMYKPHIMKTQF-UHFFFAOYSA-N 344.378 2.986 0 50 EFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1nn(C)c2c1CCCC2 65394700 ORRSVLVQZRWDIS-HNNXBMFYSA-N 328.416 2.881 0 50 EFAA Cc1sc2nc(CCN)nc(NCCc3ccncc3)c2c1C 65453091 MGTLENRFEXVXTH-UHFFFAOYSA-N 327.457 2.859 0 50 EFAA CC(=O)Nc1cnn(-c2ccc(C(=O)NCc3ccsc3)cc2)c1 20454324 WURUKYYAGBHJDA-UHFFFAOYSA-N 340.408 2.822 0 50 EFAA O=C(COc1ccccc1)NC[C@@H]1CC(Cc2cccc(F)c2)=NO1 11814648 VWCYEDSXYQXMPW-SFHVURJKSA-N 342.370 2.708 0 50 EFAA CCCN1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 35800933 PBWINOBQOUEMMM-UHFFFAOYSA-N 330.881 2.673 0 50 EFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 281965865 NKWBLLPCAHDJQK-XHDPSFHLSA-N 334.322 2.778 0 50 EFAA CN(C)CCOC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2750838 OFFMBALEWPTJLY-UHFFFAOYSA-N 337.313 2.822 0 50 EFAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(O)(C(=O)O)CC1 71775948 PODHFGCVWUJVGW-UHFFFAOYSA-N 349.770 2.652 0 50 EFAA CC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@]1(C)O 4771131 CIQZHCROWAPQQC-OAHLLOKOSA-N 326.780 2.608 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 77420342 XUFYHXIAKPTFAD-INIZCTEOSA-N 327.428 2.763 0 50 EFAA COCCNC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 5521688 GNETZARPIYPMDY-UHFFFAOYSA-N 328.412 2.919 0 50 EFAA CC(C)c1ncc(CN2CCC([C@H](C)N3CCOCC3)CC2)cn1 215166598 YGXPBKLJRSPMSV-INIZCTEOSA-N 332.492 2.533 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2ccc(CCC(=O)O)cc2)n1 236667388 MQGCTSHIZSXRDF-UHFFFAOYSA-N 331.372 2.782 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 253416849 BYSWRLIODVSMNJ-FIXIBIHLSA-N 343.345 2.765 0 50 EFAA C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1nccn1Cc1ccccc1 359323055 PLGBAVKCXNUXML-NVXWUHKLSA-N 327.428 2.705 0 50 EFAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 8551880 JNHJGXQUDOYJAK-IQDVQEQVSA-N 348.483 2.603 0 50 EFAA biogenic NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nccc(Oc2ccccc2)n1 365123028 NCVYVAJUDQTNEP-IMJJTQAJSA-N 338.411 2.892 0 50 EFAA O=c1c2ccncc2ncn1CC[C@H]1CCCCN1C1CCCC1 32587189 QERBALHOTYXIPI-MRXNPFEDSA-N 326.444 2.979 0 50 EFAA COC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33089044 OOIKKHMPXKQIOM-UHFFFAOYSA-N 348.358 2.597 0 50 EFAA CC(C)n1ccc(N[C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)n1 367366954 FOGFJBYAZCNRGQ-ROUUACIJSA-N 338.455 3.554 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc3ccccn3c2)C1 368852644 GDJFOMMIVNZAGT-KRWDZBQOSA-N 339.395 2.975 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)C[C@H]1OCCc2ccccc21 237985958 YMXXHGOHCJHMTL-NVXWUHKLSA-N 331.412 2.936 0 50 EFAA O=C(c1ccc(Cl)s1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 159157146 ACKGDDZKXCJUQP-QWRGUYRKSA-N 341.816 2.959 0 50 EFAA O=C(CCCc1cccs1)N1CCC[C@@](O)(CN2CCCC2)C1 77355340 OZFRSEBKVHKKMY-GOSISDBHSA-N 336.501 2.520 0 50 EFAA CCS[C@@H]1CCCCN(C(=O)NCc2ncnn2C(C)(C)C)C1 374349178 JUFCFKUQEMOPSW-CYBMUJFWSA-N 339.509 2.850 0 50 EFAA Cn1cc(-c2cc(NC(=O)C[C@@H]3C[C@H]3c3ccccc3)n(C)n2)cn1 375178644 GFOWCDCIPKUKST-HOCLYGCPSA-N 335.411 2.953 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](N)C2)c2ccc(Br)cc2n1 158289850 XDSLPYVDKJAVMM-LBPRGKRZSA-N 348.244 2.869 0 50 EFAA CCS[C@@H](C)c1noc(CN(C)Cc2cnc(OC)nc2C)n1 337144891 DGKRIQLMJLZJBU-NSHDSACASA-N 337.449 2.623 0 50 EFAA CCCCN1C[C@]2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O 77406995 IBNUWTKDTUMKKP-FQEVSTJZSA-N 342.487 2.974 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1COC2(CCCC2)C1 77338467 MIUIYHXUNDVSDZ-OAHLLOKOSA-N 341.411 2.887 0 50 EFAA C[C@H]([C@@H]1COc2ccccc2O1)n1cnc2c(F)cccc2c1=O 43027635 IXZIDUWLYNLZLW-BZNIZROVSA-N 326.327 2.937 0 50 EFAA Cc1ccc2c(c1)c(CN[C@@H]1CCOC3(CCOCC3)C1)nn2C 82137609 BCBNKGXPHFZZDZ-OAHLLOKOSA-N 329.444 2.700 0 50 EFAA CC(C)NC(=O)CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 178841551 KCXLFKHAGBYADA-LSDHHAIUSA-N 344.377 2.728 0 50 EFAA CCc1noc(CCNC(=O)N(C)CCSc2ccccc2)n1 426619994 HUQZKVABUZZYSF-UHFFFAOYSA-N 334.445 2.608 0 50 EFAA CCC1CCN(CCNC(=O)N(C)[C@@H](C)Cc2ccccn2)CC1 426701502 WZEPITUXUYHUMN-INIZCTEOSA-N 332.492 2.776 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)NCc1ccc(SC)cc1 426383074 GTPUBQOLRBQSKW-UHFFFAOYSA-N 348.472 2.500 0 50 EFAA CCNC(=O)[C@@H]1C[C@H](NC(C)C)CN1Cc1cccc2ccccc12 20998781 XPEBYDPCTZQZCU-ICSRJNTNSA-N 339.483 2.917 0 50 EFAA CC(C)(C)O[C@H](C(=O)NCCN1CCOC(C)(C)C1)c1ccccc1 179211658 QOZWWIKTRNBKJH-KRWDZBQOSA-N 348.487 2.770 0 50 EFAA O=C(O)c1cccc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 95517370 HWPFLVJOBGJZIP-CQSZACIVSA-N 326.400 2.770 0 50 EFAA COCCC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1 91434097 KVTCFPHGYCSHLN-LLVKDONJSA-N 333.354 2.718 0 50 EFAA CN(Cc1cc2ccccc2s1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 91548057 XRORJLATLDEASB-ZDUSSCGKSA-N 328.437 2.871 0 50 EFAA O=C([C@@H]1COc2ccccc2C1)N1CCC(CCn2cccn2)CC1 91289520 BJCWLVVAEFKUEM-SFHVURJKSA-N 339.439 2.763 0 50 EFAA C[C@H](NC(=O)N(C)CCC1(O)CCCC1)c1nc2ccccc2[nH]1 426596651 SSSPETAAOUFOCW-ZDUSSCGKSA-N 330.432 2.961 0 50 EFAA CCOc1cccc(/C=C/C(=O)N2CC[C@@H](N)C2)c1OC1CCCC1 236909149 ASNFHVYLJFYIQN-SIFUEBAJSA-N 344.455 2.980 0 50 EFAA O=C(O)[C@]12CN(Cc3cccc(Cl)c3)C[C@H]1CN(CC1CCC1)C2 96148929 XDPBIOCRJDRBMF-VQIMIIECSA-N 348.874 2.959 0 50 EFAA CNc1nc(C)cc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)n1 294459142 WFMGZTZFAKDBNP-CQSZACIVSA-N 337.427 2.846 0 50 EFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)CCN1CCCC1=O 97553198 LXEBZCAOBAZVDB-CQSZACIVSA-N 340.427 2.609 0 50 EFAA O=C(COC[C@@H]1CCCO1)N1CCC(Cc2ccc(F)cc2)CC1 92098318 QKEMFMUVPNXSNL-SFHVURJKSA-N 335.419 2.802 0 50 EFAA CN(Cc1cccnc1Cl)C(=O)c1cnc(-c2cccnc2)nc1 95357011 PRUQGUNDNQNZJB-UHFFFAOYSA-N 339.786 2.859 0 50 EFAA CCN1CCC(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 95372438 CLPBQAFUCFQDQC-HNNXBMFYSA-N 329.366 2.923 0 50 EFAA O=C(c1cnn2ccccc12)N1CC[C@@H](Cc2cccc(CO)c2)C1 95363077 NTYCSYQDXZHNMA-INIZCTEOSA-N 335.407 2.531 0 50 EFAA O=C(NCCCc1cccnc1)C1CCN(C(=O)C2CCCC2)CC1 244633069 FVWPMXSMZPBCIN-UHFFFAOYSA-N 343.471 2.559 0 50 EFAA COc1cccc(NC(=O)c2ncn(-c3ccc(F)c(F)c3)n2)c1 252485421 GVAHOWZCCJSQPW-UHFFFAOYSA-N 330.294 2.806 0 50 EFAA O=c1c(Cl)cc(C(F)(F)F)cn1Oc1nc(Cl)ncc1F 261494862 NHFLYRFYQGPHOM-UHFFFAOYSA-N 344.051 2.945 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1cccc(-c2cncnc2)c1 299760914 RZRABNDQDQQKDF-UHFFFAOYSA-N 335.411 2.930 0 50 EFAA Cc1cccc(SC2CCN(C(=O)CN3CCC[C@H](O)C3)CC2)c1 299777709 ODIZPTDELTVEDL-INIZCTEOSA-N 348.512 2.535 0 50 EFAA O=S(=O)(NCc1sc2ccccc2c1Cl)N1CCCC1 670473384 IECFDQYXPBKTGV-UHFFFAOYSA-N 330.862 2.985 0 50 EFAA C[C@H]1CN(c2ncnc3[nH]ccc23)C[C@@H]1CNC(=O)OC(C)(C)C 866034700 NMXMBQGGSWZCFW-RYUDHWBXSA-N 331.420 2.555 0 50 EFAA O=C(CNc1ccccn1)N1CC=C(c2c[nH]c3ncccc23)CC1 1875307803 LDYLEESONQCWPR-UHFFFAOYSA-N 333.395 2.686 0 50 EFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCNC2)cc1 1875292485 JQOXPIICWFUUGQ-HLAWJBBLSA-N 349.478 2.930 0 50 EFAA COC1(CNC(=O)c2cnn3ccc(Cl)c(F)c23)CCCC1 1875283738 CXYOAVRVOKFADL-UHFFFAOYSA-N 325.771 2.816 0 50 EFAA O=C(NS(=O)(=O)Cc1noc2ccccc12)[C@@H]1CCC=CCCC1 1875284315 QMENQYGAGHZXMD-CYBMUJFWSA-N 348.424 2.910 0 50 EFAA O=C(OCc1csc(-c2ccncc2)n1)[C@H]1CCc2n[nH]cc2C1 1875278267 MJEDDYNIHSVLHJ-LBPRGKRZSA-N 340.408 2.777 0 50 EFAA COc1ccc(-c2noc(C[C@@H](O)COCc3ccccc3)n2)cc1 952847899 IWLKNCPFULXSTO-MRXNPFEDSA-N 340.379 2.865 0 50 EFAA CC(C)C[C@]1(NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)O)O2)C[C@@H]1c1ccccc1 1875404359 GINPVMUSEKDWDS-GWKKSSCLSA-N 345.439 2.953 0 50 EFAA COCc1cc(C2CN(C(=O)c3cc(C)n([C@@H](C)C4CC4)n3)C2)no1 886086714 ZCWGNUXDXFVPEH-LBPRGKRZSA-N 344.415 2.537 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CC(c2cc(CO)on2)C1 886086618 XQKIWYANTVCJCA-UONOGXRCSA-N 332.787 2.550 0 50 EFAA CCC[C@@H](N[C@@H]1CN(C)C[C@H]1c1cncn1C)c1cc(C)ccn1 1775960102 SHYRAFVEIZNZSQ-JFIYKMOQSA-N 327.476 2.652 0 50 EFAA CSCCCNC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 408519025 SRMYMKBSAVUUST-LBPRGKRZSA-N 325.482 2.918 0 50 EFAA COc1ccc(/C=C(\C)CN2CCN(Cc3noc(C)n3)CC2)cc1 222080559 PPVLWNAZPOQPJD-NTCAYCPXSA-N 342.443 2.608 0 50 EFAA O=C(NCCOc1ccccc1)Nc1cnccc1N1CCCC1 170609652 HASMQLKIPFADOG-UHFFFAOYSA-N 326.400 2.882 0 50 EFAA Cc1nc2n(n1)C[C@H](NC(=O)Nc1cccc(OCC(C)C)c1)CC2 170752118 NABJKHIRACHHJX-OAHLLOKOSA-N 343.431 2.758 0 50 EFAA Cc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)ccc1F 171531380 TUYWYNYZPBSHRO-UHFFFAOYSA-N 327.403 2.924 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)NC[C@](C)(O)C2CCCCC2)cc1 192283051 JKLQAMOUYFDGMI-GAJHUEQPSA-N 338.473 2.877 0 50 EFAA C[C@@](NC(=O)N1CCc2ccccc21)(C(N)=O)c1cccc(Cl)c1 193475315 XJJJLUSPXSKAAY-SFHVURJKSA-N 343.814 2.813 0 50 EFAA CSC1(CNC(=O)Nc2cccn(CC(F)(F)F)c2=O)CCC1 193909919 BJCGSUXJXQCGLH-UHFFFAOYSA-N 349.378 2.818 0 50 EFAA O=C(O)c1ccc(OC[C@@H](O)CN2CCCc3sccc3C2)cc1 652411062 XRRWWQOZNSVCGT-HNNXBMFYSA-N 347.436 2.634 0 50 EFAA CC(C)CCOc1ccc(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)nn1 667993413 YCGUCEZQAZYBQS-CHWSQXEVSA-N 334.420 2.590 0 50 EFAA CC[C@H](C)n1nc(C)cc1NC(=O)Cn1c(=O)oc2ccccc21 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2.649 0 50 EFAA Brc1ccc(-c2csc(N3CCOCC3)n2)nc1 408524028 POEOYBMJMJRCTJ-UHFFFAOYSA-N 326.219 2.804 0 50 EFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1n[nH]c2ccccc2c1=O 124170309 NKMJFXLJIUQXSV-GJZGRUSLSA-N 343.427 2.589 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)NC2(c3noc(C)n3)CCCC2)n1 337144437 WLCUTJQZVZXRQY-CYBMUJFWSA-N 331.420 2.728 0 50 EFAA O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)N(Cc1nccs1)C2 247965937 ZFYQQLBAVFXGOM-HOCLYGCPSA-N 327.453 2.880 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 136157604 KSPGXTFCZSVOBW-LBPRGKRZSA-N 345.317 2.841 0 50 EFAA CN(Cc1ccc(Br)o1)[C@H](C(N)=O)c1cccc(F)c1 252485133 GNYNTLVRYIPZPM-ZDUSSCGKSA-N 341.180 2.840 0 50 EFAA O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@H](Cn2ccnn2)C1 253428970 RPMIZYRNAXLPJE-SZMVWBNQSA-N 339.443 2.646 0 50 EFAA C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@@H](C)N1 154248611 GZSJESJDHPPZKS-VXGBXAGGSA-N 332.835 2.563 0 50 EFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(C(N)=O)cc1 367881698 UNLXTAUSKOSJHF-CYBMUJFWSA-N 339.443 2.611 0 50 EFAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)cc2F)CC1 375379580 SRJJWYUFHJJGLD-OAHLLOKOSA-N 329.375 2.924 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3sc(C)nc3C)C1)CC2 1704297596 APQGDWXJABDRIY-SFHVURJKSA-N 342.468 2.979 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc4cccc(F)c4n3)C[C@@H]12 1704335780 GKBZGHLYYOMDSC-UYAOXDASSA-N 343.446 2.653 0 50 EFAA CCc1onc(C)c1CN1CC[C@H](Nc2ccc3nc(C)cn3n2)C1 930564047 QJOHYYALEAJIQJ-AWEZNQCLSA-N 340.431 2.583 0 50 EFAA Cc1ccc(CN(CCO)C(=O)c2cc(C)c(Br)o2)o1 935766480 GVVWGLBBIMETTF-UHFFFAOYSA-N 342.189 2.887 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1sc2ncccc2c1N 10010514 WMDBCESFEMXDIQ-UHFFFAOYSA-N 327.365 2.917 0 50 EFAA O=C1NC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)O1 2325702686 UPLJIQKYLJWTHH-AWEZNQCLSA-N 347.374 2.740 0 50 EFAA CNC(=O)Nc1ccc(NC(=O)c2csc([C@@H](C)OC)n2)cc1 2325744670 LUKHICQWNUEEQQ-SECBINFHSA-N 334.401 2.854 0 50 EFAA COCC(C)(C)N1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 2325754374 LVYWBOAYYKMAQX-UHFFFAOYSA-N 349.456 2.586 0 50 EFAA Cc1cccc(N2CC[C@@H](NC(=O)Cc3ccn4cncc4c3)C2)c1 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CCc1cccc(C)c1N1C[C@H](C(=O)NCc2cccnc2)CC1=O 20865347 UKFUITLPLNXJQO-QGZVFWFLSA-N 337.423 2.622 0 50 EFAA O=C(Cn1ccc(=O)c2ccccc21)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71551788 QDCUQHZATCXXBN-SAJCDORXSA-N 336.435 2.896 0 50 EFAA Cc1cc(O)nc(C(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)c1 357470863 LCTRQLODEMSMBN-ZFWWWQNUSA-N 346.814 2.597 0 50 EFAA C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccccc2)nn1C 252484987 GLYGRQNARJFGIN-BLLLJJGKSA-N 334.379 2.985 0 50 EFAA Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)Cc3ccccc32)s1 318675302 MIRJTVQZNFBOIH-LBPRGKRZSA-N 337.422 2.509 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)N2CC[C@H](CN3CCCC3)C2)c1 172683090 RFLPKKBFXTTXRS-OAHLLOKOSA-N 345.443 2.731 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cnn(C(C)(C)C)c2)c1 282496270 MWINWANSLJJYDC-DOTOQJQBSA-N 343.427 2.595 0 50 EFAA C[C@H](C(=O)NCCC1=CCCCC1)N1CCCC[C@H]1Cn1cncn1 253372998 HKIHMWZZDGOWBY-AEFFLSMTSA-N 345.491 2.528 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2Cn2cc(C)cn2)cc1 253604389 ZJUADQDJYSJARA-YTQUADARSA-N 339.439 2.995 0 50 EFAA CN1C(=O)CC[C@H]1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 367887880 UWSFWMMDVUALCF-KRWDZBQOSA-N 343.402 2.634 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 77523423 NMNIKGUADWVQRS-GOSISDBHSA-N 340.467 2.968 0 50 EFAA CCOC[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 155844859 PMRNHLQTPVLITN-AWEZNQCLSA-N 348.418 2.841 0 50 EFAA CCC(CC)C(=O)NC[C@@H](C)Oc1cccc(CN2CCOCC2)c1 14973762 YSHXTAHFDOEIAM-MRXNPFEDSA-N 348.487 2.839 0 50 EFAA CCn1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c2ccccc21 337145868 HZUMDNYSVXPZEI-QRQLOZEOSA-N 342.439 2.663 0 50 EFAA COc1nc2c(cc1C(=O)N(CCO)Cc1ccc(C)s1)CCC2 216517501 FIPSEADHUSJBSA-UHFFFAOYSA-N 346.452 2.584 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2c2nc(O)c3ccccc3n2)c1 283521221 NCWOEHPHEKPHJG-CXAGYDPISA-N 337.379 2.656 0 50 EFAA CC(C)[C@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccnc1 332552594 QEQVEJLWPDCHQP-IBGZPJMESA-N 339.439 2.876 0 50 EFAA O=C([C@H](O)c1ccc(Cl)cc1)N1CCC(CCn2cccn2)CC1 219157609 KBBFFHSOGIIJKZ-QGZVFWFLSA-N 347.846 2.899 0 50 EFAA CC(C)c1cc(C(=O)N(C)C2CCN(C3CCOCC3)CC2)no1 241231282 KTQJJPQVMQCZFX-UHFFFAOYSA-N 335.448 2.513 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@@](C)(F)C2)cc1S(C)(=O)=O 455017297 CKZGTJNJBVKCCO-OAHLLOKOSA-N 328.409 2.754 0 50 EFAA COc1ccc2cc([C@H]3CN(CC(=O)NC4CC4)CCO3)ccc2c1 71422427 ZYPWICRDGAEGOL-LJQANCHMSA-N 340.423 2.500 0 50 EFAA O=C(Nc1nnc(CC(F)(F)F)s1)N1C[C@H]2CCCC[C@H]2C1 333534657 QWDJBQBNJVOWBL-DTORHVGOSA-N 334.367 3.297 0 50 EFAA Cc1nc(N)ncc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71707958 RUAWPPPEQKYHLG-AWEZNQCLSA-N 342.418 2.991 0 50 EFAA COc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)c(OC)n1 72475423 FJVBYSRVQAQPPH-OAHLLOKOSA-N 327.384 2.861 0 50 EFAA CCc1[nH]c2c(CNC(=O)[C@@H]3CCC(=O)N(C)C3)cc(C)cc2c1C 77438339 TWOMCZFUELNOLC-CQSZACIVSA-N 341.455 2.832 0 50 EFAA CCc1cc(CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n[nH]1 71759095 HDGNQWRNEZTKCL-CQSZACIVSA-N 341.411 2.796 0 50 EFAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2nnc(-c3ccco3)o2)C1 339793079 VWORADVORLIKHM-KGLIPLIRSA-N 329.331 2.777 0 50 EFAA 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O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239159573 MJMBIOUKZPOGBE-KKOKHZNYSA-N 328.151 2.586 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)c1 239722299 CCAKTSCWNNDVDD-HUUCEWRRSA-N 341.498 2.507 0 50 EFAA CCN(C(=O)c1[nH]c2c(C)ccc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 91656686 DNIRMYAJJYQXCB-AWEZNQCLSA-N 348.468 2.742 0 50 EFAA Cc1noc(C)c1[C@H](C(=O)O)N(C)Cc1ccc2nsnc2c1 95515210 CGSUJSWBBGZRRI-CQSZACIVSA-N 332.385 2.554 0 50 EFAA CCc1nsc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 266307590 LVWPDIXMYVWBIC-UHFFFAOYSA-N 341.440 2.544 0 50 EFAA Cc1ccc2nc(C(=O)NCc3nncn3C3CCCCC3)cn2c1 92061636 XEFZZMYXQPMKGN-UHFFFAOYSA-N 338.415 2.669 0 50 EFAA COCC[C@]1(CO)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 91626303 UWIUQWSGKOVIMX-LJQANCHMSA-N 335.492 2.753 0 50 EFAA CC(C)[C@]1(O)CN(C2CCN(C(=O)c3cccs3)CC2)C[C@H]1C 91706607 NUHQLPRUDKUWKB-RDTXWAMCSA-N 336.501 2.692 0 50 EFAA O=C(CCNC(=O)[C@@H]1CCOc2ccccc2C1)NC1CCCCC1 95529701 KNVJPFHIPNDLQE-MRXNPFEDSA-N 344.455 2.583 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCc3ccc(O)cc3)CC2=O)cc1 82107739 LIALRTWQLXTRBA-UHFFFAOYSA-N 338.407 2.509 0 50 EFAA O=C(CCn1cnc2ccccc21)N1CCC[C@](CO)(CC2CC2)C1 91624973 JHQNPCSEVMDINB-FQEVSTJZSA-N 341.455 2.828 0 50 EFAA COc1cc(N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)nc(N)n1 96139496 NUGPRCZYRMFOBB-GFCCVEGCSA-N 338.415 2.636 0 50 EFAA CNc1cc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)ccn1 97805688 YFZZAODCVCCWJY-UHFFFAOYSA-N 331.379 2.736 0 50 EFAA CN1CCC[C@@H](CCC(=O)N2CCCN(c3ccccc3)CC2)C1 95374865 DFBBXPBSQXNNDF-SFHVURJKSA-N 329.488 2.847 0 50 EFAA CC1(C)CCC(NC(=O)c2ocnc2-c2ccccc2)(C(N)=O)CC1 294903357 HFNVOEIUPZYHAC-UHFFFAOYSA-N 341.411 2.896 0 50 EFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC2(CC1)OCCC[C@@H]2O 91849409 LLDPGCWSOOHHRK-INIZCTEOSA-N 347.459 2.604 0 50 EFAA COC(=O)c1ccnc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 181901136 AUKOSTCZENRREW-HNNXBMFYSA-N 339.395 2.965 0 50 EFAA CCOc1cccc(OCCN2CCCN(C(=O)C3CCC3)CC2)c1 244700931 JWRQEGRZALPNKG-UHFFFAOYSA-N 346.471 2.799 0 50 EFAA C[C@H](CCC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)N1CCOCC1 244716024 LGYSUXIZRFLDIE-CQSZACIVSA-N 347.434 2.766 0 50 EFAA CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)O 185036869 COUISRQVBYRWJF-JOYOIKCWSA-N 348.321 2.755 0 50 EFAA Cc1ncn(CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c1C 299757270 JSRJGECKEPWMMM-MRXNPFEDSA-N 345.418 2.957 0 50 EFAA Cc1cccc(C)c1CN1CCn2nc(CNc3cnccn3)cc2C1 299779195 UQMKDCXIUYFVHJ-UHFFFAOYSA-N 348.454 2.918 0 50 EFAA CC(C)n1cnnc1[C@H](C)NC(=O)CCc1ccc(N(C)C)cc1 299789374 YQUZUUTUYRJTRN-AWEZNQCLSA-N 329.448 2.735 0 50 EFAA Cc1cc(CNC(=O)N2CCN(CC3CCCC3)CC2)cnc1C 584900244 JZNJDQFKTRDXLV-UHFFFAOYSA-N 330.476 2.716 0 50 EFAA O=C(CNc1nc(-c2ccccn2)nc2sccc12)N1CCCC1 1156350589 ASVVYGVIAHEFTQ-UHFFFAOYSA-N 339.424 2.788 0 50 EFAA CCCCNC(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 952880962 FGYSZNMZJHOYSJ-JTQLQIEISA-N 333.358 2.659 0 50 EFAA C[C@]1(CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCCN1 1875272476 SLXJJDMCOYXUGM-GOSISDBHSA-N 341.415 2.878 0 50 EFAA Cc1cc(C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)cc(C)c1F 1875393165 IDXPLLSAYFIPPD-UZUQRXQVSA-N 338.448 2.967 0 50 EFAA Cc1cc2cc(NC(=O)[C@@H](c3cscn3)N(C)C)ccc2[nH]c1=O 1875350186 DTHUXAQZCJELEC-OAHLLOKOSA-N 342.424 2.534 0 50 EFAA Cc1cc(C(=O)N[C@@]23C=C[C@@H](CC2)C3)n2nc(C(F)(F)F)cc2n1 1875312359 LWUDSEIUNNXVEH-BONVTDFDSA-N 336.317 2.895 0 50 EFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)[C@H]1CC(C(C)C)=NO1 952976245 MUTJUBGOQJGLHH-MRXNPFEDSA-N 328.416 2.755 0 50 EFAA COCc1cc(C2CN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)no1 886086104 QMXZGMDLMHHRLO-CVEARBPZSA-N 348.349 2.796 0 50 EFAA O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)[C@@H]1OC[C@@H]2CCC[C@@H]21 886569793 RYFRUIWRRBDLJF-LWWSYDQCSA-N 343.345 2.670 0 50 EFAA Cn1ccnc1[C@H](NC(=O)N1CCOc2cc(F)ccc2C1)C1CC1 888099967 KPBNHKRDXGAFAM-MRXNPFEDSA-N 344.390 2.615 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3nc4c(F)cccc4o3)CC2)O1 1775958329 REAIMLARTUOVGK-GXTWGEPZSA-N 334.347 2.816 0 50 EFAA O=C(C1CCNCC1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 269061221 VZRHKXSEHYTWOT-KRWDZBQOSA-N 336.863 2.612 0 50 EFAA CCOC(=O)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)nc1C 185707651 KTXAUYMRYJSRSG-MRXNPFEDSA-N 339.395 2.620 0 50 EFAA Cc1nc(CC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)n[nH]1 669107742 NLIUGIIYHJTTHD-LBPRGKRZSA-N 332.713 2.729 0 50 EFAA COCCCN(C(=O)c1ccnnc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 408515862 RBEOKXJKUAIQAR-MDMSPXHWSA-N 329.444 2.780 0 50 EFAA O=C(N[C@H]1CCOc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 222017796 UUEMQYXVWPAHLA-NGWYPBGASA-N 327.424 2.958 0 50 EFAA COC(=O)c1ccc([C@@H](C)N2CC[C@@H](C(N)=O)c3ccccc32)o1 222123025 IPVALQMYTIVONX-DGCLKSJQSA-N 328.368 2.606 0 50 EFAA Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)on1 109224055 JUDMMRGIISTBME-QGZVFWFLSA-N 349.390 2.963 0 50 EFAA COc1ccc(F)cc1CNC1CCN(Cc2ccncc2)CC1 187596058 IHFNFYJIEDMWRU-UHFFFAOYSA-N 329.419 2.984 0 50 EFAA Cc1noc([C@@]2(O)CCN([C@H](C)c3ncc(-c4ccccc4)o3)C2)n1 277315010 FKPRGNUVRKEITG-KZULUSFZSA-N 340.383 2.688 0 50 EFAA CCC[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccs1 170592160 MAOAWGBVSBQQEC-NSHDSACASA-N 344.444 2.508 0 50 EFAA CCS[C@@H]1CC[C@H](NC(=O)NCC[S@@](=O)c2ccccc2)C1 170644840 FNFAPJUFJZYZNF-DJEJFTSGSA-N 340.514 2.768 0 50 EFAA O=C(Nc1cc(F)c(F)cc1F)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 639647614 KNIINUDZNNZCOS-NKWVEPMBSA-N 342.239 2.738 0 50 EFAA COc1ccc(Oc2ccc(NC(=O)N3CCC34COC4)cn2)cc1 639727235 DGWMJTFVRHEZFL-UHFFFAOYSA-N 341.367 2.889 0 50 EFAA O[C@@H](COc1ccc(Cl)cc1)CN1CCC[C@H]1c1ncccn1 639839055 HETOYSXYVHDAOF-ZBFHGGJFSA-N 333.819 2.707 0 50 EFAA CC(=O)N(C)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 189808406 OVEAUEYLLQLKCR-UHFFFAOYSA-N 344.434 2.513 0 50 EFAA C[C@@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)c1cccnc1 190605898 JIOZKHVGFBTQJE-SJLPKXTDSA-N 338.455 2.561 0 50 EFAA Cc1ccccc1-c1nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)no1 195539830 SYNHGWURLRTAKH-GXTWGEPZSA-N 341.333 2.933 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H]1CCC[C@H]1N(C)C 1506398159 HRNLXQQULIXDSG-HUUCEWRRSA-N 337.851 2.576 0 50 EFAA CCC(=O)[C@H]1CCCN(C(=O)CCC(=O)N(C)C2CCCCC2)C1 1506421909 NGJAMULEQHUJFG-HNNXBMFYSA-N 336.476 2.775 0 50 EFAA Cc1cccnc1C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529159058 MYSGXWQEBHXDQV-APWZRJJASA-N 347.418 2.926 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 474624 BCPAZFNQCBWOTM-RUDMXATFSA-N 336.800 2.639 0 50 EFAA COc1ccccc1OCc1cc(C(=O)NCc2cccnc2)no1 11933088 ZVQUIIXGBHVKTE-UHFFFAOYSA-N 339.351 2.587 0 50 EFAA Cc1nc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c[nH]1 12302733 CQOWXMZPZFKPDA-QGZVFWFLSA-N 334.423 2.762 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 12382808 NTNYUHSBVGRQHH-UHFFFAOYSA-N 335.425 2.961 0 50 EFAA Cc1ccc2oc(=O)cc(CN3CCN(c4ccccn4)CC3)c2c1 12391390 MITUYISPEKBQEO-UHFFFAOYSA-N 335.407 2.819 0 50 EFAA O=C1CC[C@@H](C(=O)N2CCCCCCC2)CN1Cc1ccccn1 12442722 HAAVUORRIAZFEM-MRXNPFEDSA-N 329.444 2.613 0 50 EFAA O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865647 ZWRZKWGPMMOOFR-SNVBAGLBSA-N 333.750 2.866 0 50 EFAA O=C1CC[C@H](CCNCc2cccnc2)N1CCc1ccc(F)cc1 14889069 UCWYNHUUCATDOQ-LJQANCHMSA-N 341.430 2.934 0 50 EFAA CN(C(=O)c1nnn(-c2cccc(Cl)c2)c1N)c1ccccc1 16649391 YFQVTVOZYHEQKU-UHFFFAOYSA-N 327.775 2.780 0 50 EFAA CCCCc1n[nH]c(SCC(=O)Nc2ccccc2C(=O)OC)n1 18323517 GTCQEHBADUAMDU-UHFFFAOYSA-N 348.428 2.665 0 50 EFAA COc1cc(CN2CCN(Cc3ccco3)CC2)cc(OC)c1OC 19360209 VGCFGINKIPHSHA-UHFFFAOYSA-N 346.427 2.623 0 50 EFAA Cn1cc(CCn2ccnc2-c2ccccc2Cn2cccn2)cn1 1857672130 LNNYOMOWPMSQHY-UHFFFAOYSA-N 332.411 2.771 0 50 EFAA CC[C@@]1(C(=O)N2CCSCC2)C[C@@H]2CC[C@H]1N2Cc1ccccn1 1857708183 KBEFYSUNNMJHPL-YQVWRLOYSA-N 345.512 2.790 0 50 EFAA Cc1ncc(CN2CC[C@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 253419933 SYWVYLUYTKRSJE-CABZTGNLSA-N 335.395 2.731 0 50 EFAA COc1ccc([C@@H](CCO)NC(=O)c2cc3c(s2)CCOC3)cc1 123709252 ICKHCAMBKGVMDS-OAHLLOKOSA-N 347.436 2.683 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 237973681 QWVVJJIJDXNDCO-AWEZNQCLSA-N 339.395 2.861 0 50 EFAA CCn1ccnc1[C@H](C)NC(=O)c1ccn(CCc2ccccc2)n1 456339513 DAMHIKZIVITYKR-HNNXBMFYSA-N 337.427 2.833 0 50 EFAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1coc(-c2ccccc2)n1 252515046 GHGCXGFKANSLSL-DDHJSBNISA-N 326.352 2.571 0 50 EFAA CSc1c[nH]nc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 253426120 INHSQIXVGSHLQB-UHFFFAOYSA-N 337.348 2.951 0 50 EFAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCC(n3cccn3)CC1)CO2 372110162 ZSINYYYGTCEJDX-QGZVFWFLSA-N 325.412 2.840 0 50 EFAA CO[C@H]1CCCN(C(=O)c2ccccc2Oc2cnn(C)c2)CC1 374580721 UABUFDMWFSRWGB-AWEZNQCLSA-N 329.400 2.854 0 50 EFAA N[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 158143637 XZUMSPRBIKYHDP-QGZVFWFLSA-N 328.387 2.968 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1Br 378897 JUCWBHOPEHILDH-UHFFFAOYSA-N 346.202 2.529 0 50 EFAA C[C@]1(c2noc(C34CCCN(CCC3)C4)n2)COc2ccccc2O1 904128824 ACRNEKVYSDKLOJ-GOSISDBHSA-N 341.411 2.884 0 50 EFAA CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2C(F)(F)F)o1 906184391 QCQHWHYQYPHDKF-JTQLQIEISA-N 339.335 2.630 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc4cnccc4[nH]3)C2)cc1 938220213 IWWUKEDGDCBLDL-INIZCTEOSA-N 348.406 2.516 0 50 EFAA CC(C)C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 77279 UQTQTZJFQAKIKF-UHFFFAOYSA-N 344.392 2.809 0 50 EFAA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(CCc1ccccc1)C2=O 109882 XSQFNYWMOPXMRG-IBGZPJMESA-N 347.418 2.722 0 50 EFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1 1857798501 KDCHDYGAQFATGL-FXPVBKGRSA-N 326.582 2.734 0 50 EFAA CC(=O)NC(C1C(=O)CC(C)(C)CC1=O)(C(F)(F)F)C(F)(F)F 100229733 TWFJXULBKAFDLF-UHFFFAOYSA-N 347.255 2.560 0 50 EFAA C[C@H](C(=O)NC[C@H](N)C1CC1)c1ccc(C(=O)c2cccs2)cc1 2325815721 IZJHWHVBMOWTQY-LRDDRELGSA-N 342.464 2.936 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)NC[C@@H]1CCCCCN1 2325843169 XWBZMNXVEGRRBY-ZDUSSCGKSA-N 345.365 2.917 0 50 EFAA Cc1nc(C)c(CNC(=O)c2cc3ccc(Br)cn3c2)[nH]1 2325858592 SZMPIRIPZDKYBM-UHFFFAOYSA-N 347.216 2.972 0 50 EFAA Cc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1Cl 372175 DCCUJONLPHUHQX-UHFFFAOYSA-N 328.199 2.731 0 50 EFAA Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1 469921 LOVWPHFOJNLWJO-UHFFFAOYSA-N 325.347 2.735 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3cccc(C)c3)N2)cc1 528866 RWZFDFGDZXPTLO-INIZCTEOSA-N 336.395 2.599 0 50 EFAA Cc1ccc(C)c(C(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c1 2356146082 QJSLOVNCSKNUCW-HXUWFJFHSA-N 336.439 2.626 0 50 EFAA O[C@@H]1CCN(c2nccn3c(-c4cnc5ccccc5c4)cnc23)C1 2356154259 OQPKOSMZAXUQLW-OAHLLOKOSA-N 331.379 2.516 0 50 EFAA CCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1 4110564 MHZYMSSNFBAKTO-UHFFFAOYSA-N 331.460 2.665 0 50 EFAA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 4832507 KHNPMHSKHAJMKS-INIZCTEOSA-N 325.412 2.506 0 50 EFAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 6706491 HWGXTUNOUKIFBH-UHFFFAOYSA-N 326.324 2.724 0 50 EFAA OCC[C@H]1CN(Cc2ccccn2)CCN1CCCc1ccccc1 20996320 SNKAJMOUNIEHKB-NRFANRHFSA-N 339.483 2.583 0 50 EFAA Cn1ncc(CN2CCC[C@H](c3cc(=O)[nH]cn3)C2)c1-c1ccccc1 23619133 XEBDUWNHAPAXOI-INIZCTEOSA-N 349.438 2.550 0 50 EFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100081697 ILGGOCMYVBKUCP-KGLIPLIRSA-N 333.771 2.885 0 50 EFAA NC[C@@H]1Cc2cc(F)cc(-c3ccc(N4CCCCCC4)nn3)c2O1 67743582 YXIMEKKHXUYCCD-HNNXBMFYSA-N 342.418 2.925 0 50 EFAA Cc1c(O)cc2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 13481909 QBRLTNYECODTFP-NSHDSACASA-N 328.320 2.569 0 50 EFAA biogenic,in-vitro Cc1nc(N(C)C)nc(N2CCC(OCc3cccnc3)CC2)c1C 65409199 ZEFHMIFSHMMSLK-UHFFFAOYSA-N 341.459 2.740 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)Cc2ccc(O)cc2)C[C@H]1O 67540637 HGNVKWJMZNDPDQ-HZPDHXFCSA-N 331.437 2.682 0 50 EFAA COc1ccccc1NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 229657102 VKJQPHZHLAFUHN-HRCADAONSA-N 347.459 2.801 0 50 EFAA C[C@H](O)CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 328589275 LPLNHHFYXMGXKL-ZDUSSCGKSA-N 333.819 2.557 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C 133687 CXBMCYHAMVGWJQ-HUUCEWRRSA-N 331.412 2.965 0 50 EFAA biogenic,in-man C[C@@H](O)[C@@H]1CCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C1 282918767 YFOLOOUDOCEXDP-GDBMZVCRSA-N 341.411 2.895 0 50 EFAA Cc1nnccc1NC(=O)NCCN1CCC2(CCCCC2)CC1 333145986 ZSRCWQIBXDFFOG-UHFFFAOYSA-N 331.464 2.953 0 50 EFAA O=C(Cc1cccc(O)c1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77422362 RSANUXXLYUZFBI-FQEVSTJZSA-N 339.435 2.777 0 50 EFAA Cc1ncoc1C(=O)N1CCC[C@](CO)(CCc2ccccc2)C1 12304108 VPTATLWZVFEXHF-IBGZPJMESA-N 328.412 2.831 0 50 EFAA Cn1c2ccccc2c2cc(CC(=O)N3CC[C@H]4CNC[C@H]43)ccc21 77406745 WLHLBTZFPGKJJP-MGPUTAFESA-N 333.435 2.694 0 50 EFAA CN1CCC[C@@H](CNC2=NCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 253426474 IYXPIOIHCCAWPR-DZGCQCFKSA-N 340.393 2.637 0 50 EFAA C[C@H]1CN(C)c2ccccc2N(C(=O)CNC(=O)c2ccsc2)C1 126149511 GSAZMLOZGNQIQS-ZDUSSCGKSA-N 343.452 2.597 0 50 EFAA O=c1cc(CN2CCCn3cncc3C2)c2cccc3c2n1CCC3 72137388 YYMTZKLICRFUKM-UHFFFAOYSA-N 334.423 2.550 0 50 EFAA CCOC(=O)Cc1nnc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)s1 155956562 CRYUYSLIJYCDLD-QWRGUYRKSA-N 340.449 2.686 0 50 EFAA C[C@H](OCC(=O)N1CCC2(Cc3ccccc3C2)C1)c1nccn1C 367793174 NUHRCAYFPPHTHZ-HNNXBMFYSA-N 339.439 2.515 0 50 EFAA COC(=O)c1ccc(C(=O)Nc2ccnn2Cc2cccc(C)c2)o1 156648952 VDRIGPZEJTXFPF-UHFFFAOYSA-N 339.351 2.872 0 50 EFAA O=C(CC[C@@H]1CCNC1)Nc1ccc(OCc2ccncc2)cc1 261875371 RDNYNVJNLDPNSX-OAHLLOKOSA-N 325.412 2.989 0 50 EFAA N[C@H](C(=O)N1CCC[C@H](CN2CCCCCC2)C1)c1ccccc1 238002597 WSFZIUMGMIQCTB-MJGOQNOKSA-N 329.488 2.801 0 50 EFAA CCN1CC2(CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)OC1=O 77300451 DYZLBIDNLOGEFG-UHFFFAOYSA-N 341.411 2.544 0 50 EFAA O=C1[C@@H](n2c(S)nc3ccccc3c2=O)CCN1C1CCCCC1 130262373 CXJDCNXSWPINCL-HNNXBMFYSA-N 343.452 2.791 0 50 EFAA NC(=O)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)n1 130491309 GSEIZPJSZHKQNX-UHFFFAOYSA-N 329.787 2.894 0 50 EFAA Cc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1 32444002 MLDQXMMMJCUQEX-UHFFFAOYSA-N 344.436 2.600 0 50 EFAA COCc1nc(CNC(=O)/C=C/CN(C)C)c(-c2ccccc2)s1 493383839 KSDLYBBOXSQRIX-JXMROGBWSA-N 345.468 2.691 0 50 EFAA CCc1cnc([C@H](C)NC(=O)N(C)C[C@H]2CCCC[C@H]2O)s1 241694015 QJSCGJGTYQRYPY-OUCADQQQSA-N 325.478 2.959 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)N2CCn3cncc3C2)cc1C 72172769 HAQCPDRSTHTDFC-UHFFFAOYSA-N 341.411 2.596 0 50 EFAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCN(Cc2ccncc2)CC1 77470761 PMBKZESWDGJOKS-QYZOEREBSA-N 325.456 2.718 0 50 EFAA COCc1c(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)noc1C 71721509 FRNYKTWNALHKEC-AWEZNQCLSA-N 343.427 2.789 0 50 EFAA O=C(Nc1ccc(Cl)cn1)N1CCC(OC[C@H]2CCCO2)CC1 175891395 WJTXPZUQRFVLQI-CQSZACIVSA-N 339.823 2.927 0 50 EFAA COCCc1nsc(NCCc2cnn(-c3ccccc3)c2)n1 176754765 QWPMUBRWNPXXKV-UHFFFAOYSA-N 329.429 2.567 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1 82134453 NJKRMGCUMYBMTN-IBGZPJMESA-N 342.414 2.766 0 50 EFAA O=C(NCCN1CCCC1=O)c1ccccc1-c1ccc(F)cc1 222964800 NCGCLGZYGPPXAD-UHFFFAOYSA-N 326.371 2.845 0 50 EFAA CSc1ncc(C(=O)N2CCC3(CC2)CNc2ccccc23)cn1 221210906 VSAKVWMLSJRKCE-UHFFFAOYSA-N 340.452 2.798 0 50 EFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C)cc1OCCCN 426386890 LTGOWAVFUHDAHX-ZSHCYNCHSA-N 332.444 2.505 0 50 EFAA CC(C)n1cccc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 91764739 DMXXXETYFUBVKH-OAHLLOKOSA-N 327.432 2.505 0 50 EFAA CS[C@H](C)Cc1cn(Cc2ccc(-c3noc(C)n3)cc2)nn1 92020846 UOOGKXQQLGEGIP-LLVKDONJSA-N 329.429 2.979 0 50 EFAA CC1(C)CCC[C@]1(O)CNC(=O)c1cc(=O)c2ccc(F)cc2o1 294553778 WFUKARMALGRVTL-SFHVURJKSA-N 333.359 2.603 0 50 EFAA O=C(c1cccs1)N1CC[C@@]2(O)CCN(C3CCCCC3)C[C@H]2C1 92004071 WCLJFQUAGQFVPZ-KXBFYZLASA-N 348.512 2.980 0 50 EFAA COCCN1CC[C@@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 97259318 OLOBXZBOYUVOCL-SFHVURJKSA-N 342.487 2.581 0 50 EFAA O=C(c1cccc(N[C@@H]2CCOC3(CCC3)C2)c1)N1CCC[C@@H](O)C1 294813564 QOHBIIUACALZDW-QZTJIDSGSA-N 344.455 2.797 0 50 EFAA CN(Cc1cc(C2CC2)on1)C(=O)[C@@H](c1cccnc1)N1CCCC1 95499790 OJVCUCWCJPZUDF-GOSISDBHSA-N 340.427 2.743 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2C[C@H](F)[C@H](F)C2)c2c1CCC2 295780708 SMILTIUQLWQEOM-OKILXGFUSA-N 331.366 2.801 0 50 EFAA Cc1noc([C@@H]2CCCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 253536960 RKXVGUYPMLQOTK-HNNXBMFYSA-N 342.399 2.725 0 50 EFAA COc1cc(CNCc2cccnc2N2CCOCC2)ccc1C 252487479 HWOXVFRGXMMZPY-UHFFFAOYSA-N 327.428 2.525 0 50 EFAA CNC(=O)c1cccnc1NC[C@@H]1CCN(c2ccccc2F)C1 359966013 IVUSSRCVDGQAKO-ZDUSSCGKSA-N 328.391 2.519 0 50 EFAA O=C(NCCSC1CCCCC1)NC[C@@H](O)c1cccc(O)c1 534659734 JCQXJYSDUOQXCX-MRXNPFEDSA-N 338.473 2.791 0 50 EFAA Cc1nnc(CN2CCCN(C3Cc4ccccc4C3)CC2)s1 299786936 OHAMHPSDUYOYJF-UHFFFAOYSA-N 328.485 2.522 0 50 EFAA CCc1csc(CCNC(=O)CCc2n[nH]c3c2CCCC3)n1 299779633 UXJGFLFIELWRMI-UHFFFAOYSA-N 332.473 2.599 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2nccs2)c1 299783772 UOLGHARRTOSVCR-UHFFFAOYSA-N 348.428 2.700 0 50 EFAA O=C(O)c1c(F)ccc(Br)c1I 575688883 WHFIHDDWBQEZGP-UHFFFAOYSA-N 344.905 2.891 0 50 EFAA Cc1nn(C)c(C)c1-c1cc(-c2ccco2)nc(N2CCOCC2)n1 825290830 SGCLZJMXTIKGSM-UHFFFAOYSA-N 339.399 2.591 0 50 EFAA NC[C@@]1(C(=O)N2CCC[C@H](c3ccc(F)c(O)c3)C2)CC12CCC2 1875292370 GBPHNVGDZBKPQY-IFXJQAMLSA-N 332.419 2.756 0 50 EFAA Cc1ccc(N[C@H](C)C2(O)CCOCC2)cc1C(=O)N1CCCCC1 1875285477 OIDHRIRAJFVHJL-MRXNPFEDSA-N 346.471 2.963 0 50 EFAA C[C@@H]1C[C@H]2[C@H](C[C@@H](C(=O)O)N2Cc2ccccc2Br)O1 1875290988 KYLRYWQBVFUXMH-HYNSBDGHSA-N 340.217 2.654 0 50 EFAA C[C@](O)(Cn1cc(-c2cccc(Br)c2)nn1)C(F)F 1875282298 WLQUSUWXKKNDAP-LBPRGKRZSA-N 332.148 2.724 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NCC2(N(C)C)CCCCC2)[nH]1 1875255312 ACOCTVPOLZHCGV-UHFFFAOYSA-N 325.460 2.945 0 50 EFAA O=C1COc2cc(-c3ccc(N4CC[C@H](O)C4)cc3)c(Cl)cc2N1 1875303686 IJZRSOVJWIJQBG-ZDUSSCGKSA-N 344.798 2.909 0 50 EFAA Cc1[nH]c2cc(Cl)ccc2c1CCNC(=O)[C@H](N)[C@H]1CC[C@H](C)O1 1875316142 XFIYNIZUONINQN-LZVXQISVSA-N 349.862 2.683 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C2CCC2)no1 1875300740 OTRWCLMBOFSTBQ-HNNXBMFYSA-N 344.415 2.506 0 50 EFAA NC(=O)[C@H](NC(=O)NOC1CCCC1)c1ccc2ccccc2c1 1875304544 NINHJGRUCUSQJD-MRXNPFEDSA-N 327.384 2.540 0 50 EFAA O=C(CCN1CCC(c2ncccn2)CC1)Nc1cccc(F)c1 952994230 XRNPTUXANBQUOR-UHFFFAOYSA-N 328.391 2.824 0 50 EFAA NC(=O)CC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 891878220 RIEYWWVELCAPSX-UHFFFAOYSA-N 330.819 2.889 0 50 EFAA O=C(Nc1cn[nH]c1)[C@@H]1CCN(c2nc(C3CCCCC3)ns2)C1 894886634 WEPCUDPVLDAVBE-GFCCVEGCSA-N 346.460 2.774 0 50 EFAA COC(=O)/C=C/c1ccc(NCc2ccc([C@@H](C)O)c(C)n2)nc1 1775993874 NGBTVRRGIYVADP-OMDQHUAHSA-N 327.384 2.637 0 50 EFAA O=C(O[C@@H]1CCOC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1364958289 QKUZPHIKGPKOAR-SNVBAGLBSA-N 333.310 2.533 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)s1 1565507439 IJHGDODACGUKNI-HOTGVXAUSA-N 346.452 2.864 0 50 EFAA O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1CCc2ccncc21 1321019877 IDDFZPUIJMNMNG-UHFFFAOYSA-N 331.379 2.743 0 50 EFAA CS(=O)(=O)c1cccnc1-c1cc(OC(F)(F)F)ccc1O 1244457050 WJQOXIRNYKAPOK-UHFFFAOYSA-N 333.287 2.756 0 50 EFAA C[C@](O)(CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 170072275 NGHIHKZDLVPNRA-FQEVSTJZSA-N 340.423 2.760 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](N(C)C)[C@@H]3C)c12 408517923 PIOULGPKIKLTDK-BBRMVZONSA-N 329.444 2.660 0 50 EFAA Brc1cnc(N2CCCN(CC3CCC3)CC2)nc1 408524191 QZBVQYBUWJGGFA-UHFFFAOYSA-N 325.254 2.551 0 50 EFAA CCc1cc(CCCN2C(=O)N[C@](C)(c3ccccc3C)C2=O)on1 408525228 QCYDEWACRUYFMF-LJQANCHMSA-N 341.411 2.945 0 50 EFAA COCc1ccnc(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)c1 633582260 VBSZKYGPKPFVHM-SECBINFHSA-N 328.294 2.643 0 50 EFAA COCCC1(CN2CCCN(c3cccnn3)CC2)CCCCC1 187200884 PCUUKIXYEFFUPS-UHFFFAOYSA-N 332.492 2.976 0 50 EFAA CC(C)(C)N1C[C@H](N[C@H](c2ccc(F)cc2)c2ncc[nH]2)CC1=O 188221939 UNKISIVAHXQXRT-GDBMZVCRSA-N 330.407 2.627 0 50 EFAA Cc1c(CNC[C@@H]2CCC(C)(C)O2)c(=O)n(-c2ccccc2)n1C 189727070 NVHKBSSCNVJEPC-INIZCTEOSA-N 329.444 2.532 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(Cc2cc(F)cc3cccnc23)CC1 192013706 HBEAKZRMXNBHJG-QGZVFWFLSA-N 345.418 2.745 0 50 EFAA O=c1c2cnn(CCOc3ccccc3)c2ncn1CC1=CCCC1 647118771 CANIPKWNWZJHCM-UHFFFAOYSA-N 336.395 2.782 0 50 EFAA Cc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 195004462 NSLLKGGAWBZSNI-CQSZACIVSA-N 349.456 2.882 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)s1 1506419216 YXEAAHKGZGALGL-CYBMUJFWSA-N 329.425 2.890 0 50 EFAA COc1ccccc1-c1ncc(CN2CCC[C@@H]2C2(O)CC2)cn1 1772807698 RYZPHDZZLZGFRR-QGZVFWFLSA-N 325.412 2.642 0 50 EFAA CN(C)CC1(CO)CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1772710323 PZQAFNHFZSVFIM-UHFFFAOYSA-N 325.840 2.508 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@H](CCc2cccc(OC)c2)C1 12373791 CGLDZYVAVOFLGC-MRXNPFEDSA-N 333.428 2.820 0 50 EFAA CN(CCN1CCCCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12385346 WCXSRDLYZYTWPF-KRWDZBQOSA-N 349.519 2.502 0 50 EFAA Cc1ccccc1S(=O)(=O)N(C)CCn1cnc2ccccc21 1857683215 YDMXUEUDPXHQRS-UHFFFAOYSA-N 329.425 2.665 0 50 EFAA CC(C)(C)c1cc(=NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)[nH]o1 1875244348 RFGBJXQSGLVHAM-LLVKDONJSA-N 331.347 2.598 0 50 EFAA COC(=O)c1ccc(Br)cc1CSc1ncnn1C 225749821 QAGMVKQQULOVLY-UHFFFAOYSA-N 342.218 2.657 0 50 EFAA O[C@@H](Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)CC(F)(F)F 225708661 ICNGKEXVAPNZQT-SECBINFHSA-N 340.227 2.672 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 126871321 QQPJTLOIJKOQAJ-IRXDYDNUSA-N 347.846 2.778 0 50 EFAA CCC[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 236898901 GGLWIFQUSKWUCW-MRXNPFEDSA-N 328.368 2.644 0 50 EFAA CCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)C1 127020743 JNMFSOMELVXMCI-CQSZACIVSA-N 340.427 2.891 0 50 EFAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)c1ccc(Cl)c(F)c1 238092696 ZNLOMBLBTYYXTD-CYBMUJFWSA-N 329.755 2.538 0 50 EFAA COC[C@@H]1CCCCN(C(=O)c2sc3nc(C)nc(N)c3c2C)C1 681087935 OHVAJPNZWOCMTR-GFCCVEGCSA-N 348.472 2.779 0 50 EFAA O=C(c1cccc2c1OCO2)N1CCC[C@](CO)(c2ccccc2)C1 367267143 NBDBENQBIWWAAM-FQEVSTJZSA-N 339.391 2.582 0 50 EFAA O=C(O)CCCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 262216883 JTLXZUPRAIGZSO-UHFFFAOYSA-N 328.416 2.906 0 50 EFAA N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 35052107 DHQUQYYPAWHGAR-KRWDZBQOSA-N 327.380 2.581 0 50 EFAA in-vitro O=c1c2sc(-c3ccccc3)cc2ncn1CCC1OCCO1 163560922 QQPJBRDQIRNKOF-UHFFFAOYSA-N 328.393 2.888 0 50 EFAA Cc1nc2n(n1)C[C@@H](C(=O)N1CCCc3cc(Cl)cc(F)c31)CC2 903263080 IWOZPUCDLLKIOA-LBPRGKRZSA-N 348.809 2.921 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N(CC(F)F)CC(F)F 904217726 OZCHWGVDITYJEX-MNOVXSKESA-N 347.308 2.920 0 50 EFAA CO[C@H]1Cc2ccc(NC(=O)NCc3cccc(C(=O)O)c3)cc2C1 841841960 ZHHDYLDUQHYPOH-KRWDZBQOSA-N 340.379 2.820 0 50 EFAA C[C@@H](NC(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@@H](O)c1ccccc1 1141763216 KITSMGPCKZMRRF-PIGZYNQJSA-N 340.354 2.728 0 50 EFAA CCn1ncc(CNC[C@H]2CCCCN(Cc3ccccc3)C2)n1 839108759 KSAREOHSHABPKX-GOSISDBHSA-N 327.476 2.690 0 50 EFAA Cc1c(C(=O)N2CC[C@@](O)(C(C)C)C2)cnn1-c1ccccc1F 2325770150 JMXFIJZNZWYELS-SFHVURJKSA-N 331.391 2.553 0 50 EFAA Fc1cccc2cc(-c3cnc(CN4CCCNCC4)cn3)cnc12 2325796866 YEIVIIMLOQSRBE-UHFFFAOYSA-N 337.402 2.626 0 50 EFAA C[C@H]1CCN(C(=O)c2occc2Br)C[C@H]1CC(=O)O 2325812908 QUIVBZPCZWEALQ-DTWKUNHWSA-N 330.178 2.615 0 50 EFAA CCCNc1cc(NCCOc2cccc(NC(C)=O)c2)ncn1 865508197 CRGLFWFHDVGQBR-UHFFFAOYSA-N 329.404 2.748 0 50 EFAA CCn1cc([C@H](C)NC(=O)[C@H]2CC[C@](C)(C(=O)O)C2(C)C)c(C)n1 245226107 IOBGBKQWTLEPRL-UCMVZMLTSA-N 335.448 2.916 0 50 EFAA CC1=CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2cc(C)ccc21 69187 BEAJBCWDQHKPET-UHFFFAOYSA-N 326.396 2.673 0 50 EFAA CCCC1=NN(C(=O)c2ccccc2OC)[C@](O)(C(F)(F)F)C1 274559 RUOBEPJUBADJEX-CQSZACIVSA-N 330.306 2.948 0 50 EFAA Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1 424351 VKMFAGWWIUTHDL-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1 468779 HNODVMLDNICXRY-UHFFFAOYSA-N 333.800 2.566 0 50 EFAA Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C 470997 OZVGIZGUKJCEPE-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc43)C2=O)cc1 540058 VZDACVSJIDYFIK-GOSISDBHSA-N 336.391 2.780 0 50 EFAA CN(C(=O)Cc1nc2ccc(Cl)cc2[nH]1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356144411 WLYQZPHWMIYCAP-WVKUQDAKSA-N 347.846 2.767 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]21 2356165310 BWOGLUNHLNLVHE-QEORTHHSSA-N 337.851 2.547 0 50 EFAA Cc1ccc(OCCn2c3ccccc3n3nc(C)c(=O)nc23)cc1 4747784 QZJCKVPBSIYPEX-UHFFFAOYSA-N 334.379 2.740 0 50 EFAA CCOc1cc(CNCCO)c(Br)cc1OC(C)C 4840339 OLDAKRZNHOQOIZ-UHFFFAOYSA-N 332.238 2.717 0 50 EFAA CCCN(CCO)Cc1cc(OC)c(OC)cc1Br 4985619 UVBXULUCCXUCCW-UHFFFAOYSA-N 332.238 2.671 0 50 EFAA CSc1ccc(C)c(NC(=O)N2CCC(c3nc(=O)[nH][nH]3)CC2)c1 225478072 XPUYQCYXFLVJAM-UHFFFAOYSA-N 347.444 2.540 0 50 EFAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 8714749 ZTEMQZZZGYOJRY-LBPRGKRZSA-N 347.864 2.895 0 50 EFAA CCOc1cccc(CN(C(=O)[C@H](C)Cn2cncn2)C2CC2)c1 55253611 VHXWALZKNLZEMJ-CQSZACIVSA-N 328.416 2.504 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1c(C)[nH]c(C(C)=O)c1C 55037077 LLVVTDZQBBETPO-AWEZNQCLSA-N 332.400 2.840 0 50 EFAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCCC[C@H]1Cn1cccn1 247734274 JXGMBGOMAOQSRU-OALUTQOASA-N 338.455 2.758 0 50 EFAA O=C(O)CCS[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100856159 GLLYIATUUXKJJO-JTQLQIEISA-N 347.314 2.545 0 50 EFAA Cc1cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)ccc1F 67935465 ZVBTVQUXJLXKAM-HNNXBMFYSA-N 334.435 2.707 0 50 EFAA CN(C)Cc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63881758 MFTXUAKOSCMVBD-INIZCTEOSA-N 347.507 2.549 0 50 EFAA CCc1cn[nH]c1C1CCN(C(=O)Cc2cn3ccsc3n2)CC1 67692770 CBIAFSBOSKBZDW-UHFFFAOYSA-N 343.456 2.630 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccncc1 248749291 FRYSAORXMAAGKE-QFBILLFUSA-N 338.455 2.744 0 50 EFAA CC1(C)C[C@@H](c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO1 351187910 UJGSXLRNFAJQRD-LBPRGKRZSA-N 336.413 2.813 0 50 EFAA CCn1cc(CNC(=O)CCc2nnc(-c3ccc(C)s3)o2)cn1 23542195 SHUGHLJZVIFAOS-UHFFFAOYSA-N 345.428 2.572 0 50 EFAA O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(O)cc1 125528892 FELJETAXBWJFFN-UHFFFAOYSA-N 340.784 2.791 0 50 EFAA CCOc1nc(C)ccc1C(=O)Nc1cc(Cl)ccc1C(N)=O 252496874 PTIIHUJDSIEPEI-UHFFFAOYSA-N 333.775 2.793 0 50 EFAA C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@@H]1O 252537743 MFKRVRCBSCFGLY-KMUNFCNLSA-N 343.254 2.801 0 50 EFAA COCCN1CC[C@@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 62373097 OUFVFKHZUGVXLJ-NSHDSACASA-N 329.803 2.569 0 50 EFAA Cc1cccnc1CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2 120750834 VFZUGYDZXFRCJU-UHFFFAOYSA-N 328.347 2.736 0 50 EFAA O=C(NC1CCN(C(=O)c2c(O)cccc2F)CC1)c1ccccc1 121359698 VWLQIBTXTPCWKP-UHFFFAOYSA-N 342.370 2.566 0 50 EFAA CCc1nccn1CCC(=O)NCC1(c2ccccc2)CCOCC1 215601796 WEHQILKHNLGNKM-UHFFFAOYSA-N 341.455 2.700 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCN(C2CCSCC2)CC1 216527265 CCAFAWWIMMCGGI-UHFFFAOYSA-N 342.940 2.649 0 50 EFAA COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 331610886 NQZZVGAOEALNTO-UWWPHRKUSA-N 339.457 2.585 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)[C@@H](CO)c1ccc(F)cc1 253407613 FUAOPKRLRXHYFJ-KRWDZBQOSA-N 326.371 2.742 0 50 EFAA C[C@@H]1CCCCN1CCC(=O)Nc1ccn(CCc2ccncc2)n1 253406053 VGMZUZCYRHDPQX-MRXNPFEDSA-N 341.459 2.724 0 50 EFAA CCCNC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72157323 FFOQHXJAFORERU-KZNAEPCWSA-N 349.425 2.946 0 50 EFAA CC[C@@H](NC(=O)Cc1cccs1)c1ccc(S(C)(=O)=O)cc1 72117780 FGXAWHJDBYYQRH-OAHLLOKOSA-N 337.466 2.962 0 50 EFAA CC[C@@H](C)[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 236860914 CGFDWKWKOBVAAI-DYVFJYSZSA-N 342.395 2.890 0 50 EFAA O=C(NCC1(N2CCCCC2)CCCC1)[C@@H](O)c1ccccc1F 216316288 MZIAKVMBDOWDKQ-KRWDZBQOSA-N 334.435 2.774 0 50 EFAA Cc1ccc(OC2CCN(C(=O)COC[C@@H]3CCCO3)CC2)cc1 77386330 QHRZYJAILDGXFU-SFHVURJKSA-N 333.428 2.560 0 50 EFAA Cn1cc(N2CCN(c3nc(C4CCCCC4)ns3)CC2)cn1 333891639 XEUKGUJEJHCPQU-UHFFFAOYSA-N 332.477 2.646 0 50 EFAA CCc1nnc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc1CC 373785589 FSPAZOOJHRIMAI-OAHLLOKOSA-N 341.463 2.656 0 50 EFAA Cc1noc(C)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C 262443273 UXQUIUUCVZDQIT-UHFFFAOYSA-N 332.356 2.958 0 50 EFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1nnnn1C1CC1 285260099 BDQNUQCCAMURDE-BBRMVZONSA-N 327.432 2.990 0 50 EFAA Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2noc(C(C)C)n2)n1 48436092 MJSVVAGBVZXCIS-UHFFFAOYSA-N 341.419 2.637 0 50 EFAA O=C(c1cnccn1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82106707 UKCKFVJYVVLQBK-QGZVFWFLSA-N 347.422 2.741 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2ccc(OC3CCOCC3)cc2)C1 290733410 SPNADTQHAGQFTC-FQEVSTJZSA-N 347.455 2.869 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)c2ncn(C)n2)ccc1Br 290892147 NBWJKBQJEFYBCH-CYBMUJFWSA-N 349.232 2.863 0 50 EFAA CO[C@@H](CNC(=O)N1CCOCC(F)(F)C1)c1ccc(Cl)cc1 291024196 MWUWFUSJBDYDJD-ZDUSSCGKSA-N 348.777 2.705 0 50 EFAA CN(C)CCOc1ccccc1-c1nccn1[C@H]1CCCC[C@@H]1O 82120631 XYTNCBXSVVNVCZ-IRXDYDNUSA-N 329.444 2.967 0 50 EFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cncc(F)c2)C1 426547551 DZQRMBKBHJGUOD-OAHLLOKOSA-N 327.403 2.748 0 50 EFAA Cc1ccc(OC[C@@H](C)NC(=O)c2cc(F)ccc2OCCN)cc1 426545112 SEGDPNDKYAHTEL-CQSZACIVSA-N 346.402 2.669 0 50 EFAA COc1ccc(C)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91434529 HVGSOHBPKKXHGB-IAGOWNOFSA-N 328.456 2.950 0 50 EFAA O=C(N1CC[C@]2(CCCNC2=O)C1)C1(c2ccc(Cl)cc2)CCC1 91745214 WWBPMEKJERDYHL-GOSISDBHSA-N 346.858 2.890 0 50 EFAA CSC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OCCN)C1 426746102 NGPJCZHOXXCRSN-GFCCVEGCSA-N 342.892 2.893 0 50 EFAA O=C(c1cc(-c2ccccc2O)n[nH]1)N(Cc1cccnc1)C1CC1 91604394 YUWPWLICXPHLPH-UHFFFAOYSA-N 334.379 2.982 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3ccccc3SC)C[C@@H]2N)cc1 91871865 GIAKKLYHTDKOKH-SJORKVTESA-N 342.464 2.984 0 50 EFAA Cc1cc(N2CCC3(CC2)OCCC[C@@H]3O)nc(-c2ccccc2)n1 95357721 PBXDFMAGGDCQMM-KRWDZBQOSA-N 339.439 2.962 0 50 EFAA Cc1[nH]c2c(F)cccc2c1CC(=O)NCc1cn2c(n1)SCC2 92078094 JCAPXKSAVLNTJP-UHFFFAOYSA-N 344.415 2.777 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc5nncn5n4)C3)nc2c1 295050322 OORZODYCCHXEHR-CYBMUJFWSA-N 333.399 2.693 0 50 EFAA COC[C@@]1(C)CCN(C(=O)C2(c3ccccc3C)CCOCC2)C1 295918759 CUTLVIFNYWHDJI-IBGZPJMESA-N 331.456 2.928 0 50 EFAA c1ccc(-c2nnc(CN3CCC(N4CCSCC4)CC3)o2)cc1 244795396 RFPUJMZTMLVLIF-UHFFFAOYSA-N 344.484 2.750 0 50 EFAA CC(=O)OC[C@H]1[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H]5[C@@H]([C@H]2[C@H]2[C@@H]5[C@H]5CCC[C@H]5[C@H]21)[C@@H]34 257357975 RBKKXXNIIJFVRI-GYHNQFJASA-N 342.479 2.967 0 50 EFAA Oc1cc([C@@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)ncn1 299759821 NHMXWDPTOKYKTI-QGZVFWFLSA-N 349.438 2.807 0 50 EFAA CSc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 299774897 JLFMUTMGJIWXQS-INIZCTEOSA-N 334.485 2.782 0 50 EFAA CCCCCc1nc([C@@H](C)N2CCN(C)CC2)n(CC(F)(F)F)n1 822859020 JOBFYPDIGXRFIP-CYBMUJFWSA-N 347.429 2.882 0 50 EFAA Cc1nnc(SCCNC(=O)[C@H](C)n2ccnc2C(C)C)s1 827654596 VSPZISQDCXCJNN-JTQLQIEISA-N 339.490 2.636 0 50 EFAA CCC[C@@H](C(=O)N1CCOc2ccc(CO)cc2C1)n1cccc1 584894635 VCFHDUJRAYUTCT-KRWDZBQOSA-N 328.412 2.743 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)CC2)nn1-c1ccccc1 1875291839 NFSZICZDNHPFKI-HUUCEWRRSA-N 341.411 2.944 0 50 EFAA CC(C)(C)[C@H](C(=O)O)C(=O)Nc1cnc(Cc2ccc(F)cc2)nc1 1875267355 DAGTXCVBPCWESA-HNNXBMFYSA-N 345.374 2.892 0 50 EFAA Cc1ccccc1-c1nc(CNS(=O)(=O)[C@@H]2C[C@@H]3CCC[C@H]32)no1 1875290686 WZQYBLXMBNDQHO-NWANDNLSSA-N 347.440 2.653 0 50 EFAA Nc1c(F)cccc1CN1CCC[C@H](c2nc(C(=O)O)cs2)C1 1875283624 YGDREOWQVQRQNZ-NSHDSACASA-N 335.404 2.942 0 50 EFAA Cc1cnccc1[C@H](C)Nc1ccc(CC(=O)N2CCOCC2)cc1 1875285345 KGGXLBPNVRMPDZ-INIZCTEOSA-N 339.439 2.964 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOC4(CCCCCC4)C3)n[nH]c21 1875393709 LTTJSSHLXUSKJX-KGLIPLIRSA-N 347.459 2.997 0 50 EFAA C=CC(=O)N1CC([C@@H](C)NC(=O)/C(C)=C/c2ccc(F)c(F)c2)C1 1875389121 CKHUYEVLCRVTLM-YTRUQHMWSA-N 334.366 2.517 0 50 EFAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@H](c2cc[nH]n2)C1 952981382 MKNZLZBOQFNIHC-CQSZACIVSA-N 328.416 2.618 0 50 EFAA Cc1cncc(C(=O)NC[C@H]2CCCN(c3ncccc3F)C2)c1 952991091 YAGFCEPXEJRAJS-CQSZACIVSA-N 328.391 2.571 0 50 EFAA COc1cc(Cl)c(-c2nnc([C@]3(OC)CCOC3)o2)cc1OC 886085320 DDIURJRSPVVTAB-HNNXBMFYSA-N 340.763 2.669 0 50 EFAA C[C@@](CO)(NC(=O)Cc1ccoc1)c1cccc(Br)c1 890632659 OFBVMZGKMDBUHP-HNNXBMFYSA-N 338.201 2.609 0 50 EFAA COc1ccccc1C[C@H](C)N[C@@H]1C[C@]2(C[C@H]1O)CN(C)[C@H]2C(C)C 888098756 MLGXMXUVFJIPKP-XEOJFFABSA-N 346.515 2.696 0 50 EFAA Cc1cc(CN2CCN(Cc3cn(C)nc3C3CCCC3)CC2)on1 891534477 FNHWJGXRPNAHBF-UHFFFAOYSA-N 343.475 2.692 0 50 EFAA Cc1cc(C(=O)N2COCC[C@@H]2c2ccccc2)ccc1-n1cnnn1 888186961 XECBRESPBFQNPI-GOSISDBHSA-N 349.394 2.532 0 50 EFAA CS(=O)(=O)c1ccsc1NC(=O)c1cc2c(o1)CCCC2 1775299089 CIHSAHOBLNQWLO-UHFFFAOYSA-N 325.411 2.876 0 50 EFAA O=C(Cc1ccccc1)NCC1CN(C(=O)c2ccc3cc[nH]c3c2)C1 1356821765 VWJYSBLGHFVJOV-UHFFFAOYSA-N 347.418 2.599 0 50 EFAA CC1(C)CN(C(=O)Cn2nccn2)c2cc(C(F)(F)F)ccc2O1 1775994386 FEIJEWACELBLOZ-UHFFFAOYSA-N 340.305 2.501 0 50 EFAA CC(C)Oc1cccc(CC(=O)N[C@@H](CC(=O)O)c2nccs2)c1 1776006162 NWPUURSIHUKMDX-AWEZNQCLSA-N 348.424 2.805 0 50 EFAA CCSCc1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)no1 186161537 YFLYTXIJXIPITP-MRXNPFEDSA-N 348.424 2.847 0 50 EFAA CCn1c(C)cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1C 275350385 LROYPZKGYTWWKG-HNNXBMFYSA-N 346.431 2.845 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@@H](Cc3ccccc3)C2)cc1 276328012 PZYGMMGAGHWLIK-SFHVURJKSA-N 345.464 2.928 0 50 EFAA COc1ccsc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186616693 SQDNZQQOPVUKEU-OAHLLOKOSA-N 345.468 2.936 0 50 EFAA CC1=CCN(CCNC(=O)Cc2csc(-c3ccccn3)n2)CC1 408514061 QAZYWCKCDIOSHN-UHFFFAOYSA-N 342.468 2.516 0 50 EFAA Cc1ccnc([C@H]2CCN(CCCN3CCN(C(C)C)CC3)C2)c1 408523837 NXNXETVWQVAUNT-IBGZPJMESA-N 330.520 2.595 0 50 EFAA CN(C)c1ccncc1CN1CCC(C(=O)N2CCCCCC2)CC1 170595382 DIYTXQKQGAUGAX-UHFFFAOYSA-N 344.503 2.762 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@@H](C)c3ccc(F)cc3)CC2)nn1 170603129 YMAMBINTRQVDSV-CYBMUJFWSA-N 346.406 2.644 0 50 EFAA CCCCn1nc(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1Cl 170672649 CLHRZMDLBHCONA-UHFFFAOYSA-N 339.779 2.866 0 50 EFAA Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCCN(C)CC2)s1 279801214 YXNPRPRUBNPOBN-UHFFFAOYSA-N 349.435 2.822 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 171272560 BBWDFDYOFDDZFQ-UHFFFAOYSA-N 340.398 2.661 0 50 EFAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 280328327 UMFOBCQOBYTAAH-LBPRGKRZSA-N 335.400 2.628 0 50 EFAA CC[C@]1(C)CN(C(=O)NCc2cc(OC)nc3ccccc23)CCO1 188152395 LKUGKESNBFFXBA-LJQANCHMSA-N 343.427 2.954 0 50 EFAA CC(C)Oc1ccc(CC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 188801567 QUFVHFPGRODRPS-KRWDZBQOSA-N 339.439 2.806 0 50 EFAA CCC[C@@H](C)C(=O)NS(=O)(=O)c1cc(Br)cs1 806099183 XLXVEWXWRVCPRG-SSDOTTSWSA-N 340.264 2.752 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N2CCC[C@@H]2c2cc(C)no2)c1 1506399272 CYTPPKURCQPJDH-OAHLLOKOSA-N 327.384 2.984 0 50 EFAA CC(C)CN1C(=O)CC[C@@H]2CN(Cc3ccccc3C(=O)O)CC[C@@H]21 1616103592 NEBNTJDEGPRRTD-AEFFLSMTSA-N 344.455 2.854 0 50 EFAA Cc1ccc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)cn1 1772805677 PHENKHDCJAWMNR-UHFFFAOYSA-N 344.459 2.580 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(F)c1 5578925 YDTGDHFVGZPARD-UHFFFAOYSA-N 333.315 2.882 0 50 EFAA COc1ccc(CCN2C[C@@H](NCc3cccc(F)c3)CC2=O)cc1 12304216 INCXPRNEMKZFNU-SFHVURJKSA-N 342.414 2.768 0 50 EFAA Cn1c(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)cc2ccccc21 12304780 LVKPNAUJRWAMKG-GOSISDBHSA-N 348.450 2.968 0 50 EFAA Cc1ncsc1CCN(C)c1cc(C(N)=O)c2ccccc2n1 1857677079 WOOKULVMCIVJJK-UHFFFAOYSA-N 326.425 2.778 0 50 EFAA COCCn1cnnc1[C@@H](C)n1ccnc1-c1ccc2cccnc2c1 1857687255 NDQDEWOFMOJGNG-CQSZACIVSA-N 348.410 2.946 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2csc3c2CCCC3)C[C@@H]1O 1857726012 FFUVDQRSUZDFGN-FUHWJXTLSA-N 337.485 2.613 0 50 EFAA Cc1nc2c(NC(=O)c3cnn(Cc4ccccc4)c3)cccn2n1 1875245175 NLLZGERQCIMXMZ-UHFFFAOYSA-N 332.367 2.535 0 50 EFAA CC1CCN(C[C@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 117775603 WOYKGICCMBGUCW-ZWKOTPCHSA-N 345.487 2.819 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCOc1cccc(F)c1 328629543 OXURLRJMEIIZDT-WMZOPIPTSA-N 333.407 2.675 0 50 EFAA CC(C)c1nn(-c2ccccc2)cc1CNCC1(O)CCOCC1 236642759 DWDPAKDSPSQFTJ-UHFFFAOYSA-N 329.444 2.627 0 50 EFAA CC(C)(C)c1nnc2n1CCN(Cc1ccn(C3CCCC3)n1)C2 662242540 BPWCTPDZKOSASW-UHFFFAOYSA-N 328.464 2.903 0 50 EFAA CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)n(-c2ncccn2)n1 246416784 HPJKIWSSZVJTPO-JYAVWHMHSA-N 325.416 2.944 0 50 EFAA C[C@@H](CC(=O)N1CCC(c2nnc(O)o2)CC1)c1ccccc1F 351849602 FFHDZSVNQRLFRM-NSHDSACASA-N 333.363 2.814 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)C(=O)N[C@H](C)c1ccccc1Cl 253408186 YBSVOWNFFPQVGK-SNVBAGLBSA-N 349.818 2.781 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(Cl)cn3)C2)nc1 267040482 CQOLAOQHLPXTCX-GFCCVEGCSA-N 331.807 2.689 0 50 EFAA C[C@H](Cc1ccc(N[C@H](C)C2CCS(=O)(=O)CC2)cc1)C(=O)O 901730514 BRFXBHLELKNATG-CHWSQXEVSA-N 339.457 2.575 0 50 EFAA O=C(O)c1csc(CN2CCn3c(cnc3C(F)(F)F)C2)c1 903916783 OVNJEBAUQPKWHV-UHFFFAOYSA-N 331.319 2.677 0 50 EFAA O=C(c1csc(C2CCCCC2)c1)N1CCOC[C@H]1c1nn[nH]n1 827960280 DOVJANZXUOYMCS-ZDUSSCGKSA-N 347.444 2.523 0 50 EFAA O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)c1ccccc1C1CCC1 827900880 HFHJGMPASMAADK-KRWDZBQOSA-N 333.395 2.987 0 50 EFAA FC(F)(F)c1cc(Br)cnc1NCCc1cnn[nH]1 1875272773 OFQQTGKDCILEDL-UHFFFAOYSA-N 336.115 2.636 0 50 EFAA CC(C)(C)c1coc(CNC(=O)Nc2cnn(-c3ccncc3)c2)n1 1262271861 HFRAYXOWRBPDJV-UHFFFAOYSA-N 340.387 2.875 0 50 EFAA CCOc1ccc(Br)c(C(=O)NCC2(O)CCC2)c1F 933264992 NUSSNBUVBIZLJY-UHFFFAOYSA-N 346.196 2.632 0 50 EFAA C[C@H]1CN([C@@H]2CCN(c3ccn(C)n3)C2=O)Cc2c(Cl)cccc21 2325771983 JOGJRQDKARKCFE-BLLLJJGKSA-N 344.846 2.798 0 50 EFAA Cc1ccc([C@](C)(CO)NC(=O)c2cccc(C(=O)O)c2C)cc1C 2325788593 QVZMRCNQUWTTCI-FQEVSTJZSA-N 341.407 2.948 0 50 EFAA O=C(NC1CC1)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325800102 PERGUYLQHIBDHZ-UHFFFAOYSA-N 341.238 2.853 0 50 EFAA Cc1ccccc1[C@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)[C@@H](C)CO1 110641082 DMGAEKJQTUWNHC-SUMWQHHRSA-N 342.443 2.735 0 50 EFAA O=c1c2c3c(sc2nc2n1-n1cnnc1-c1ccccc1-2)CCCC3 102371 GAQNXCACPXHMEW-UHFFFAOYSA-N 347.403 2.887 0 50 EFAA Cc1sc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c2c1C 250276 JRZUVJJCAOSSDS-UHFFFAOYSA-N 342.424 2.864 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1CC1 359142 QXZHCCMUHLWUKI-UHFFFAOYSA-N 344.436 2.556 0 50 EFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2ncc[nH]2)C1 12306481 ZIXIILQLIPHQMN-IBGZPJMESA-N 345.418 2.937 0 50 EFAA c1ccc2c(c1)CC1(CO2)CN([C@H]2CCOC3(CCOCC3)C2)C1 2356165806 PGIKEQWDBOVBSH-KRWDZBQOSA-N 329.440 2.652 0 50 EFAA COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 6300461 DEARYGROLGCLDT-UHFFFAOYSA-N 347.436 2.980 0 50 EFAA COc1ccc(-c2noc(CNC(=O)CC(C)(C)C)n2)cc1OC 6730074 ANSWZUDQMHYUSQ-UHFFFAOYSA-N 333.388 2.806 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 6746148 UJIJFXYZQXEXOV-GFCCVEGCSA-N 344.864 2.730 0 50 EFAA O=C(c1ccc(=O)[nH]n1)N(Cc1ccccc1F)c1ccc(F)cc1 110889595 GTEOKSHYKDDOQK-UHFFFAOYSA-N 341.317 2.895 0 50 EFAA CCCn1ncc(CN2CCN(C(=O)c3ccccc3)CC2)c1C 55089946 HDPIXCLFWLFXCT-UHFFFAOYSA-N 326.444 2.560 0 50 EFAA NC[C@@H]1Cc2cccc(-c3ccccc3OCCn3ccnc3)c2O1 67787243 AAHAYTLHGSRXIB-INIZCTEOSA-N 335.407 2.891 0 50 EFAA Cn1cc([C@@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C2)cn1 116493206 YFAHLPUYARQHTC-GFCCVEGCSA-N 328.420 2.529 0 50 EFAA O=C(CO)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67589014 WQHNTONODQZWMK-UHFFFAOYSA-N 334.375 2.886 0 50 EFAA CC(C)Sc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2)s1 1506420532 HPOUXAQSQTVMLL-GFCCVEGCSA-N 334.470 2.692 0 50 EFAA Cc1[nH]c2ccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)cc2c1C 67921152 YULVDUIALBYEPU-HXUWFJFHSA-N 339.439 2.869 0 50 EFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 230187098 RXEVLTHIOOGXHY-CGTJXYLNSA-N 342.439 2.748 0 50 EFAA Cc1cccc(C(=O)NCC2CCN(Cc3nccn3C)CC2)c1C 67726607 INWUQGWTYWJCCP-UHFFFAOYSA-N 340.471 2.679 0 50 EFAA COc1ccccc1N1CCC[C@H](NC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)C1 252491982 MAQOZUXXWPCDQV-QHDJUILOSA-N 344.455 2.738 0 50 EFAA CC[C@H]1CN(Cc2nccn2-c2ccc(OC)cc2)CC[C@@]1(C)O 67770458 SMROCYBHSBBPRX-HNAYVOBHSA-N 329.444 2.864 0 50 EFAA CN1CCN(C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)C2)CC1 252486201 GPGHGKSFLDZZFY-IHPCNDPISA-N 347.547 2.689 0 50 EFAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC(C)(C)[C@H]1C 357900620 CQZMQQJWRMQLOR-CQSZACIVSA-N 343.427 2.911 0 50 EFAA Cc1ccncc1CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 328594651 BOPBHJKFMNXUAY-INIZCTEOSA-N 341.411 2.636 0 50 EFAA C[C@H]1CN(C)C[C@@H]1C(=O)N(Cc1ccccc1)CC1(O)CCCC1 328596342 IFDIMKBSJVTKOH-WMZOPIPTSA-N 330.472 2.518 0 50 EFAA CCc1oc2ccccc2c1[C@@H]1CC(=O)Nc2[nH]nc(C(=O)NC)c21 65491966 XXTORELZFOXJFB-JTQLQIEISA-N 338.367 2.552 0 50 EFAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)CCC1CCOCC1 63882548 KHLVCYVBCAHOBP-MRXNPFEDSA-N 325.380 2.709 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)N(C)C2CCCCC2)c1 282197092 NRSWXOIMDXMHCK-HKUYNNGSSA-N 346.471 2.594 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2sc(C)nc2C)cn1 328656206 ZCWOMFWDCHQUGZ-CJNGLKHVSA-N 333.461 2.926 0 50 EFAA CCOC(=O)c1coc(N2CCCN(c3ccccc3C)CC2)n1 77428501 JBHWCDWYRRSRET-UHFFFAOYSA-N 329.400 2.876 0 50 EFAA COC[C@H](O)CN1CCC[C@@H]1c1cc(Br)ccc1OC 126504462 UJFPOXGMMZKHLS-TZMCWYRMSA-N 344.249 2.602 0 50 EFAA Cc1ccc(CN2CCC(C(=O)O)(n3ccnc3C)CC2)c(F)c1F 72480760 JBMJNILIHJURKY-UHFFFAOYSA-N 349.381 2.854 0 50 EFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(-c2nnc(S)o2)cc1 124335160 JYBQCNVQCIUTSA-UPJWGTAASA-N 345.424 2.569 0 50 EFAA CC(=O)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)CNCCO2 34928790 OQSHATOJTANNNE-UHFFFAOYSA-N 328.387 2.856 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN(CCc1ccccn1)CC2 253433082 RPOJBHNPDZBVAL-UHFFFAOYSA-N 342.439 2.751 0 50 EFAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H](CCC(=O)O)C1 236834598 OGMRIQYUDPGHIH-LLVKDONJSA-N 341.839 2.914 0 50 EFAA O=C(NCc1csc2c1CCCC2)c1cccc(-n2cnnc2)n1 71763235 NJSXWDKYFSQWHJ-UHFFFAOYSA-N 339.424 2.533 0 50 EFAA CCc1c(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)cnn1Cc1ccccc1 237094472 HPIUPZXDZVSGBB-NVXWUHKLSA-N 340.471 2.693 0 50 EFAA COc1ccc2sc(C(=O)N3CCNC(=O)C3(C)C)c(C)c2c1 173512456 FYFKFJIWQFNFTN-UHFFFAOYSA-N 332.425 2.569 0 50 EFAA O=C(c1c(O)cccc1F)N1CCC(OC[C@H]2CCCCO2)CC1 128534753 MTEPHGNVKOSQLA-CQSZACIVSA-N 337.391 2.722 0 50 EFAA COc1cccc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 237352743 YZMPROKFSFEAPN-GOSISDBHSA-N 339.391 2.666 0 50 EFAA CSc1nc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)cs1 218820868 KDHSJPXXFIFPTJ-AWEZNQCLSA-N 349.481 2.846 0 50 EFAA C[C@H]1CN(Cc2cnn3ccccc23)CCN(CC(F)(F)F)C1 449664771 MBMYPYCMVDWIHW-ZDUSSCGKSA-N 326.366 2.650 0 50 EFAA O=C(c1ccc(Cl)s1)N1CCOC[C@H]1C[C@H](O)c1ccco1 159156869 ACKGDDZKXCJUQP-MNOVXSKESA-N 341.816 2.959 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 238087520 MFUPGILKERPYRF-CYBMUJFWSA-N 334.372 2.562 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 238077512 LEJSPQQBYHVLTH-NWALNABHSA-N 330.203 2.599 0 50 EFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[C@@]2(C1)OCc1ccccc12 372193686 RFJFBMVCKJLMOW-NRFANRHFSA-N 346.386 2.800 0 50 EFAA O=C(CCC(F)(F)F)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72453577 SYCSMVCVWRXPLR-UHFFFAOYSA-N 345.317 2.854 0 50 EFAA CC(C)(C)n1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)nn1 374390649 PGVPNBQBWBWKHB-HNNXBMFYSA-N 342.491 2.946 0 50 EFAA O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H](c2nn[nH]n2)C1 378231557 ROLBGTRSJUGEBM-LLVKDONJSA-N 341.346 2.619 0 50 EFAA C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1)c1ccc(F)c(F)c1 263299688 GKNHFJTXHFQBIV-JFGNBEQYSA-N 326.343 2.778 0 50 EFAA CCOc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)ncn1 241515548 OGFBGAGICXUEKQ-GDBMZVCRSA-N 327.432 2.593 0 50 EFAA c1ccc(-n2nnnc2N2CCC(CCCn3ccnc3)CC2)cc1 242302428 YSOCNEYTLFWOOJ-UHFFFAOYSA-N 337.431 2.556 0 50 EFAA Cc1ccc(NC(=O)CCc2nc(-c3ccc(C)[nH]c3=O)no2)cc1 72115878 BNUPLQTWTDBKBD-UHFFFAOYSA-N 338.367 2.613 0 50 EFAA COCc1nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2[nH]1 44889940 PLMGMDWBCSKFIA-UHFFFAOYSA-N 331.397 2.651 0 50 EFAA CCn1cnc2c(c1=O)CCN(c1ncnc3c1oc1ccccc13)C2 286687505 XIAAPIBCRRSJLA-UHFFFAOYSA-N 347.378 2.515 0 50 EFAA O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 291110329 GNQVCGWQNMMESD-RTBURBONSA-N 330.472 2.832 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 82155639 FNNKMHIQSLYVHU-HNNXBMFYSA-N 345.447 2.840 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)C34CCCN3CCC4)co2)cc1 290423979 VMDSGFGUGUBBJA-UHFFFAOYSA-N 325.412 2.895 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 178258951 QVIJVJKVPCKYQX-LLVKDONJSA-N 329.331 2.511 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 178940442 CBZHYXWXGRHYLS-FQEVSTJZSA-N 339.439 2.660 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C1 179013111 XQXHABFMADHLPC-VIFPVBQESA-N 331.641 2.784 0 50 EFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)O)o1 426358236 GOFIWTZKQAELLV-LBPRGKRZSA-N 333.344 2.629 0 50 EFAA O=C(NCCCOC1CCCCC1)c1cc(-c2ccccn2)n[nH]1 97360071 OHOLCSTVHCPCJT-UHFFFAOYSA-N 328.416 2.941 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2 91536782 JCLFUOBBTBOZBK-LSDHHAIUSA-N 337.423 2.708 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCC(c4ncon4)CC3)c(C)c2c1 426414732 RWSHNHZYQMGIAQ-UHFFFAOYSA-N 340.383 2.888 0 50 EFAA COc1ccccc1CN1CCN(Cc2cccs2)[C@H](CCO)C1 96402904 ZROCGUGVUSBMIB-QGZVFWFLSA-N 346.496 2.826 0 50 EFAA O=C(c1ccccc1-c1ncc[nH]1)N(CCO)Cc1ccccc1F 97346878 UBTGXDUMCOPMDJ-UHFFFAOYSA-N 339.370 2.851 0 50 EFAA CCOC(=O)[C@H]1CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1 146332235 XVGAIUQGUPGMIU-AWEZNQCLSA-N 340.464 2.661 0 50 EFAA COc1cc(NC(=O)N[C@H](C)C2=CCCCC2)cc(-n2cnnn2)c1 96140943 HOIRFPJEXIPLDI-GFCCVEGCSA-N 342.403 2.681 0 50 EFAA OCCNc1cc([C@H]2C[C@@H](Nc3ccc4ccccc4n3)C2)ncn1 244884194 YHEWHCXHUSFDIE-GASCZTMLSA-N 335.411 2.787 0 50 EFAA CCc1cc(NC(=O)N2CCN(c3cccnn3)CC2)ccc1C 181986710 UZSZYAUAAANYCY-UHFFFAOYSA-N 325.416 2.702 0 50 EFAA COc1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1O 438087621 MAFZGSPRWPKDDA-UHFFFAOYSA-N 340.379 2.931 0 50 EFAA Cc1nn(CC(=O)NC[C@H]2OCCc3ccccc32)c(C)c1Cl 370897360 GWUJZPXRKCTQCT-OAHLLOKOSA-N 333.819 2.584 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)Cc1c(C)n[nH]c1C)CC(C)(C)O2 299775531 GJHYAQVWVVQDHK-INIZCTEOSA-N 343.427 2.996 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)CCN1CCCCCC1)c1ccccc1 299764818 MJGSTDZHRHFBEA-IBGZPJMESA-N 340.471 2.892 0 50 EFAA CSc1cccc(NC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1 299783796 UYHPTRCDLOXIEF-HOTGVXAUSA-N 335.473 2.783 0 50 EFAA CN(C)C(=O)c1cccc(NC[C@H]2CCN(C3CCCCC3)C2)n1 823639133 ABRDTUMJOTUMQW-OAHLLOKOSA-N 330.476 2.850 0 50 EFAA CCCCCc1nc(C(C)(C)N2CCOCC2)n(-c2cccnc2)n1 822859127 SMAQLEMGQNADKH-UHFFFAOYSA-N 343.475 2.962 0 50 EFAA O=C1CC[C@@H](c2cccc(N=c3[nH]ccn4nc(C5CC5)cc34)c2)N1 1875307097 KICWYEXNJQIYND-HNNXBMFYSA-N 333.395 2.723 0 50 EFAA Cc1ccc(-n2ccc(C(=O)N[C@H](C(=O)O)c3ccccc3)n2)cc1 1875333396 RNAOIYIRGGTJHZ-KRWDZBQOSA-N 335.363 2.736 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)/C=C/c1cc(CO)cs1 952971694 KZHMBESKPWKXBH-HWKANZROSA-N 345.449 2.917 0 50 EFAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 885825950 VUGYVADFEKJUQF-QZTJIDSGSA-N 339.439 2.734 0 50 EFAA Cc1noc(C(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)n1 887612339 NBFQXLVVELBHRH-UHFFFAOYSA-N 340.427 2.605 0 50 EFAA COC(C)(CCNC(=O)c1ccc(CN2CCCCC2)cc1)OC 888099745 VYCRYDUCZMJNFR-UHFFFAOYSA-N 334.460 2.801 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)COc2ccccc2F)C1 888103083 FMCPKAOZVIOLFJ-HIFRSBDPSA-N 347.390 2.533 0 50 EFAA Cn1ncc(NCCOC2CCCCCC2)c(Br)c1=O 301298798 TWNGVMDZLKCWSO-UHFFFAOYSA-N 344.253 2.694 0 50 EFAA O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H](C(=O)O)c1ccccc1 170047915 XEDJVRUKKWBCPA-LJQANCHMSA-N 349.390 2.747 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(c2nc([C@H]3CCOC3)no2)CC1 170591317 WVRNDOFKOQHASN-LBPRGKRZSA-N 337.420 2.862 0 50 EFAA CC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccncc1 170615147 VOZZYQCQYCIIPS-QGZVFWFLSA-N 346.452 2.630 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[S@@](=O)c1ccccc1F 170667523 VQKFULCCKWMGQB-PUYAPDRXSA-N 341.448 2.645 0 50 EFAA CCc1cc2nncn2c(S[C@H]2CCc3ccccc3NC2=O)n1 279839473 CUAGYJBERGNYTH-AWEZNQCLSA-N 339.424 2.732 0 50 EFAA CCc1cccc(OC[C@H](O)COc2ccc3c(c2)NC(=O)CC3)c1 187351141 OBBJUHCYEHWSOC-INIZCTEOSA-N 341.407 2.952 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2nccc3ccccc23)C1 190073621 DEAXCEMUXSBFCH-UKRRQHHQSA-N 338.367 2.528 0 50 EFAA CCn1cc([C@@H]2CN(C(=O)c3cc4sccc4[nH]3)CCO2)cn1 192223274 KJTHJVLTEANCAR-AWEZNQCLSA-N 330.413 2.660 0 50 EFAA COc1cccc2c1CCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)CC2 192597059 FSOQEZBMQORHLY-LBPRGKRZSA-N 327.428 2.766 0 50 EFAA O=C(CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)c1cccs1 192858545 FINCBSFFQKGALT-CQSZACIVSA-N 343.404 2.749 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccc(C)cc1 193182154 ORYTWAOWLGAWFB-SJORKVTESA-N 329.444 2.899 0 50 EFAA O=C(O)c1ccc(OC[C@H](O)CN2CCCc3sccc3C2)cc1 652411063 XRRWWQOZNSVCGT-OAHLLOKOSA-N 347.436 2.634 0 50 EFAA c1cn2nc(N[C@H]3CCN(C[C@@H]4CCC5(CCCC5)O4)C3)ccc2n1 660594232 PMAQOJTURPXRME-HOTGVXAUSA-N 341.459 2.707 0 50 EFAA C[C@@H](NC(=O)N1CCCN(c2nccs2)CC1)c1cscn1 661645145 GHIGYESDMLNAQR-LLVKDONJSA-N 337.474 2.583 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc3c(s2)CCCC3)C1 779860761 DYDHMLVUNRDMKL-CHWSQXEVSA-N 347.440 2.921 0 50 EFAA Cc1cc2c(cc1CN1CCO[C@H](CO)[C@H]1c1ccccc1)OCO2 1529111968 CUCZLPCTXXZJAS-WOJBJXKFSA-N 341.407 2.658 0 50 EFAA O[C@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1Cc1ccnc2ccccc12 1704338547 URXRTBKDADJTGA-UZLBHIALSA-N 346.434 2.942 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1cccnc1 11938082 AKWFUXBZJPDAGM-IBGZPJMESA-N 347.422 2.870 0 50 EFAA CSc1nnc(CN(C)Cc2cccs2)n1C[C@H]1CCCO1 14999165 DNQANWYXIIXIIC-GFCCVEGCSA-N 338.502 2.873 0 50 EFAA COCCN(Cc1ccc(Br)s1)C(=O)c1cn[nH]c1 408514627 BTBPEJUXMXXHGU-UHFFFAOYSA-N 344.234 2.523 0 50 EFAA Cc1cc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)nn1C(C)C 410788976 CCQPYOFVUROIDV-UHFFFAOYSA-N 328.351 2.949 0 50 EFAA Cc1ccc(Br)c(C(=O)N(CCO)Cc2cccnc2)c1 225526001 DHTDVYYKYGRCCD-UHFFFAOYSA-N 349.228 2.787 0 50 EFAA CCCN(C(=O)c1cnn(C)c1)[C@@H](C)CC(=O)Nc1ccccc1 225740923 FEOFVJKELNDXHT-AWEZNQCLSA-N 328.416 2.690 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 229548192 SCYPLMVHSIMRFB-HYVNUMGLSA-N 325.412 2.859 0 50 EFAA Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 239762121 CKWNDQJJCNKZJI-UHFFFAOYSA-N 331.391 2.544 0 50 EFAA Cc1nnc(CNC(=O)[C@H]2CCOc3ccc(Cl)cc32)n1C1CC1 242147469 WSCMTJRVTCFINR-ZDUSSCGKSA-N 346.818 2.757 0 50 EFAA CC(C)COc1ncccc1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 369957765 CVOQGSVXRUHSMN-HNNXBMFYSA-N 342.443 2.555 0 50 EFAA CO[C@@H]1CCCN(C(=O)c2ccccc2Oc2cnn(C)c2)CC1 374580722 UABUFDMWFSRWGB-CQSZACIVSA-N 329.400 2.854 0 50 EFAA CC(C)n1cc([C@@H]2CN(Cc3ccc(Cl)cn3)C[C@H]2CO)cn1 375444996 OJSFRYJGSPTQSK-YOEHRIQHSA-N 334.851 2.720 0 50 EFAA CCn1cnc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1 902614945 ULFSNBDYKUSJRX-UHFFFAOYSA-N 348.834 2.641 0 50 EFAA CCc1nc[nH]c1C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 907002431 VXCDYQRMFCSPNH-JTQLQIEISA-N 343.362 2.961 0 50 EFAA Cc1ccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c(Cl)c1 908985379 WTICCDWJOXACEQ-GFCCVEGCSA-N 325.792 2.744 0 50 EFAA CN(C)CCn1nccc1NC(=O)N1CCCCc2ccccc21 931568663 YWOPVWGNRNPQSI-UHFFFAOYSA-N 327.432 2.820 0 50 EFAA c1ccc(CN2CCO[C@@H](CNc3ncc4ccccc4n3)C2)cc1 311670260 JBXYXYNVQMKUOE-SFHVURJKSA-N 334.423 2.943 0 50 EFAA CC1(C)CC(NC(=O)NC(=O)c2c(F)cccc2F)CC(C)(C)N1 36921 LMXCTDVWWBLDED-UHFFFAOYSA-N 339.386 2.713 0 50 EFAA CC1(C)C[C@@](CCNC(=O)CCC(=O)O)(c2ccccc2)CCO1 2110251 LRLCVRAFFOKFPB-IBGZPJMESA-N 333.428 2.885 0 50 EFAA biogenic CN(C)[C@H]1C[C@H]2C[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C[C@H]2C1 2100543529 UBVILMJYAVJMIY-USTZCAOPSA-N 336.501 2.567 0 50 EFAA Cc1cc(C[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@@H]2O)n[nH]1 2100543785 YRBNXSHVZLBUDM-DIFFPNOSSA-N 344.365 2.584 0 50 EFAA CN(C)Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c23)s1 2325766859 SSKUZEKHAMWOQW-UHFFFAOYSA-N 332.404 2.755 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3occc3CN(C)C)cn2)c1C 2325801067 ULJRVXSKGGNGSM-UHFFFAOYSA-N 339.399 2.791 0 50 EFAA c1ccc(-c2ncc(CN[C@H]3CCCN(c4cnccn4)C3)[nH]2)cc1 2325825954 JAXHYTOTVZMYSQ-INIZCTEOSA-N 334.427 2.625 0 50 EFAA Cn1c(-c2ccc(NC(=O)c3conc3CN)cc2)nc2ccccc21 2325858787 AHKLWSPTPRFNNE-UHFFFAOYSA-N 347.378 2.939 0 50 EFAA CNC(=O)c1ccsc1NC(=O)N1CCC[C@H]1c1ccncc1 1477081222 IJBKPCDYFIZFKI-ZDUSSCGKSA-N 330.413 2.872 0 50 EFAA COc1cc(CN2CC[C@H](NC(=O)C[C@@H]3C=CCC3)C2)cc(OC)c1 246220335 VGUSJASFAHQAHY-WBVHZDCISA-N 344.455 2.751 0 50 EFAA S=C(NCCc1ccccn1)Nc1ccc(Br)cn1 5722 HOCFDYZWQYGULA-UHFFFAOYSA-N 337.246 2.768 0 50 EFAA in-man O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1cccc(F)c1 1857798387 CKJMTAKYXYVCDR-FXPVBKGRSA-N 326.582 2.734 0 50 EFAA O=C(NC(=S)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 142165 MDMGFFNYPHLZDG-UHFFFAOYSA-N 349.456 2.724 0 50 EFAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](O)C(=O)c1ccccc1 2317200 RXSZYVLSKBOPLV-GMXABZIVSA-N 342.222 2.895 0 50 EFAA CC(C)n1ncc(=NC(=O)CSc2cn(C)c3ccccc23)[nH]1 2356150328 XEGONLLIWQEEND-UHFFFAOYSA-N 329.429 2.503 0 50 EFAA COc1ccccc1CC(=O)Nc1nnc(-c2ccncc2)s1 6727156 HMVSWUNLXPPHNY-UHFFFAOYSA-N 326.381 2.790 0 50 EFAA CCCc1nc(CN(CC)C(=O)c2ccc(OC)c(OC)c2)no1 55342855 WZPUDAFGGPMRPS-UHFFFAOYSA-N 333.388 2.702 0 50 EFAA O=C(c1ccc2nnc(S)n2c1)N(Cc1ccc(F)cc1)C1CC1 225798212 GNBWODYYECGJJX-UHFFFAOYSA-N 342.399 2.962 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC2Cc3ccccc3C2)on1 344461871 LEBCKIVHCXKGRP-WMZOPIPTSA-N 329.419 2.652 0 50 EFAA Cc1cc(C(=O)NCCc2c[nH]cn2)c(NC(=O)C(C)(C)C)s1 55242123 GIWXXCKNOWZSMQ-UHFFFAOYSA-N 334.445 2.737 0 50 EFAA CN(C)C(=O)c1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 248514406 DXIWVAUSXYRKRR-UAGQMJEPSA-N 330.428 2.606 0 50 EFAA COCc1ccccc1/C=C(\C)CN1CCN(c2cccnn2)CC1 351050090 AAVRONLVIZLQHZ-SAPNQHFASA-N 338.455 2.849 0 50 EFAA CCOC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 20167638 DBIXUWDQGMCMPB-UHFFFAOYSA-N 338.451 2.957 0 50 EFAA Cc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)ncn1 72117327 CBIJZKATRDFRPM-UHFFFAOYSA-N 340.431 2.619 0 50 EFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccncn1)O2 216280700 CDNGCVADEPZMPT-LJQANCHMSA-N 341.411 2.508 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2C)n[nH]1 119577303 MAXNKXCQWLDXNK-GFCCVEGCSA-N 342.447 2.774 0 50 EFAA COCCN1CC[C@@H](C(=O)N(C)Cc2ccccc2OCC(C)C)C1 63835565 FWKNPDLAEPZWFR-GOSISDBHSA-N 348.487 2.648 0 50 EFAA COc1cnc(N2CCC[C@H]2c2ccccn2)nc1-c1ccnn1C 23506643 FGTFESGMRVYZIA-AWEZNQCLSA-N 336.399 2.622 0 50 EFAA COc1ccc(NC(=O)NC[C@H](c2ccnn2C)C(C)C)c(C)n1 252489215 JKZBFUVHKVNMRQ-ZDUSSCGKSA-N 331.420 2.693 0 50 EFAA C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccc(Cl)cc1 20207075 OFBLZCQMCSMCEF-LBPRGKRZSA-N 349.818 2.651 0 50 EFAA CCc1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc(N(C)C)n1 65434164 RGZBMVGEKZBLGI-GFCCVEGCSA-N 348.472 2.682 0 50 EFAA O=C(O)c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)nc1 32603465 NUXYAPIRUSPJLM-UHFFFAOYSA-N 331.803 2.755 0 50 EFAA COC(=O)[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1 1393201 KFKDKDBUQRVQTP-CQSZACIVSA-N 339.800 2.533 0 50 EFAA C[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 253404090 DEKMJYFXEKZCGB-SUMWQHHRSA-N 328.387 2.737 0 50 EFAA CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(OC)CCOCC1 253415239 MXFKMGADKXZKRP-HNNXBMFYSA-N 325.836 2.973 0 50 EFAA COc1ccc(F)cc1CNC(=O)N1CC[C@H](C2CCN(C)CC2)C1 253432342 JTGICUOFPGQUHP-HNNXBMFYSA-N 349.450 2.708 0 50 EFAA COc1ccc([C@H](NS(=O)(=O)C[C@@H]2CCCCO2)C2CC2)cc1 253423945 SIGXRBFQKOTBAG-DLBZAZTESA-N 339.457 2.635 0 50 EFAA CCSCc1ccccc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 253430673 KOZXVUQESYUOEO-YJBOKZPZSA-N 348.512 2.732 0 50 EFAA CCC[C@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccc(F)cc1F 253431552 SCUJDUCCGAPTPZ-HNNXBMFYSA-N 349.385 2.931 0 50 EFAA COc1ccc(CC[C@H]2CCCCN2CC(=O)N2CCC2)cc1OC 363197672 RJKHBMGZDCDFRJ-QGZVFWFLSA-N 346.471 2.723 0 50 EFAA C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@@H]1CCC(=O)N1 363714089 ZIWCZWRXVCLBFY-JJXUHFIVSA-N 348.446 2.870 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 282490025 VYFCYDBIPBHFFX-BLLLJJGKSA-N 335.354 2.690 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 156355440 QNSQLQNSCOSBNH-BBRMVZONSA-N 334.435 2.952 0 50 EFAA O=C(O)C1(n2ccnc2)CCN(Cc2ccc3occc3c2)CC1 72409044 GVDNXKVNKMGILD-UHFFFAOYSA-N 325.368 2.705 0 50 EFAA CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cc(C)no1 127333590 QOVQCVXGZUOCBK-OAHLLOKOSA-N 328.416 2.652 0 50 EFAA COCCN1C[C@@]2(CCCN(Cc3ccc(OC)cc3)C2)CCC1=O 77407048 CMKYIWKZLSSKFW-FQEVSTJZSA-N 346.471 2.546 0 50 EFAA CCc1c(C(=O)N2CCC[C@H]([C@@H](C)N)C2)cnn1-c1ccccc1 237095982 XZBSOZHTCIFPRB-CABCVRRESA-N 326.444 2.634 0 50 EFAA CC(C)NC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72143488 QJNLFWRYKVIISJ-GFCCVEGCSA-N 330.354 2.777 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1Cc1ccc(OCc2ccncc2)cc1 284479464 FJXBQWWKVXLSSQ-ICSRJNTNSA-N 342.439 2.896 0 50 EFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)NCc1ccccc1F 72130740 JFKKNLIBFLNTGU-INIZCTEOSA-N 347.434 2.902 0 50 EFAA CC1(C)Cc2cccc(CN3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)c2O1 284622268 LCEXQEKDQZUSOB-KSZLIROESA-N 331.456 2.762 0 50 EFAA CSCCCNc1nc(CC2CC2)nc2c1CCN(C(C)=O)CC2 72411871 JZGJEFSKGCVYQA-UHFFFAOYSA-N 348.516 2.541 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)C=C2CCCCC2)C1 285269516 AMNJTINZYYCBGP-CABCVRRESA-N 330.432 2.861 0 50 EFAA CCCCCCCC(=O)[C@H](CCCCCC)C(=O)NC(CO)CO 43129502 CGYVFCHCRBGGJG-KRWDZBQOSA-N 343.508 2.972 0 50 EFAA O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)C1CCC1 82106597 IMCGYTVDVFRATE-UHFFFAOYSA-N 330.476 2.838 0 50 EFAA Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 17072427 LVJQHDBBOYEODP-UHFFFAOYSA-N 348.468 2.711 0 50 EFAA Cc1cc(C)c(N2C[C@@H](C(=O)NC3(C)CCOCC3)CC2=O)c(C)c1 178646255 CZVJBVLNORCJRB-INIZCTEOSA-N 344.455 2.650 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(C)Cc2noc(C3CCCC3)n2)n1 426399048 OJSVZTVRMWXZJA-AWEZNQCLSA-N 343.431 2.966 0 50 EFAA O=C1CCC2(CCNCC2)CN1C[C@@H](O)c1ccc2ccccc2c1 91451909 CWVUJQIKABNHCV-LJQANCHMSA-N 338.451 2.865 0 50 EFAA CC(C)=CC[C@@]1(CO)CCCN(Cc2ccc(OCCO)cc2)C1 91781992 RKPKYSMUXVXWNM-FQEVSTJZSA-N 333.472 2.989 0 50 EFAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)sc1-c1ccccc1 426377914 GGSVAGWGZVWUSN-KBPBESRZSA-N 344.436 2.611 0 50 EFAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 237626585 CYMPHEBOWHMPJZ-ZANVPECISA-N 345.226 2.720 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(CN3CCCC3)o2)C1 97636543 VRIPVSWHOLZMLO-HNNXBMFYSA-N 331.460 2.574 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)c1nc2ccccn2c1F 92038861 MVFOQUDXRLRIHG-CQSZACIVSA-N 325.343 2.517 0 50 EFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cc(CC(C)C)no1)C2 91595936 QQMXZFCCKBUCBX-AWEZNQCLSA-N 344.411 2.749 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN(C)C)CC2)C1 91780539 KQLLEIODEFWPJI-IBGZPJMESA-N 343.515 2.666 0 50 EFAA COC1CCC(NCc2ccc(Cn3ccccc3=O)cc2)CC1 183139405 LEPXJFWOBOQWEC-UHFFFAOYSA-N 326.440 2.944 0 50 EFAA CCOc1ccc(C(C)=O)cc1Cn1nc(-c2ccco2)oc1=O 183531920 QHFYMKCYZBQDQL-UHFFFAOYSA-N 328.324 2.746 0 50 EFAA C[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 184652224 XHIQQBFXFYCDKB-WMZOPIPTSA-N 330.472 2.972 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)NCCc2ncc[nH]2)cc1 534578958 ABJBCEXFXNBZHA-KRWDZBQOSA-N 341.459 2.561 0 50 EFAA CCc1noc(-c2cc3n(n2)C[C@@H](c2ccc(OC)cc2)OC3)n1 263616483 IZGDYVABFBYBMS-HNNXBMFYSA-N 326.356 2.776 0 50 EFAA COCCc1noc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(C)cc2)n1 299789128 WGWAVEUCCMANRJ-CYBMUJFWSA-N 347.415 2.602 0 50 EFAA CCC(CC)n1ncc(C)c1NC(=O)N[C@H](C)c1nnc(N)s1 299788309 RSEKCOJHIAHKTE-SECBINFHSA-N 337.453 2.869 0 50 EFAA O=C(Nc1cccc(SC(F)(F)F)c1)N[C@@H]1CCCNC1=O 299767742 NPWFROATLOBDHC-SNVBAGLBSA-N 333.335 2.699 0 50 EFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)ccc1C)C2 299799903 VGKZPLGTAMVZLG-UHFFFAOYSA-N 326.444 2.542 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3cc(-c4ccc(C)s4)n[nH]3)C2)n1 299797108 PNEQNZWSAVQFMN-NSHDSACASA-N 343.412 2.768 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H](C)Cn2cccn2)c2cccnc12 824645517 BJSHNWWKHJVHNT-AWEZNQCLSA-N 338.411 2.735 0 50 EFAA CCn1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1=O 240454721 FYHIKDKGUPDYFX-RDJZCZTQSA-N 326.444 2.728 0 50 EFAA O=C(CN1Cc2ccccc2C1)NCc1nc2ccc(Cl)cc2[nH]1 670469170 NDIBLGCMSNRUHP-UHFFFAOYSA-N 340.814 2.848 0 50 EFAA CCCn1nccc1S(=O)(=O)N1CCc2c(Cl)cccc2C1 670461075 FYUDGXGJQKXXNU-UHFFFAOYSA-N 339.848 2.694 0 50 EFAA CC1(CS(=O)(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)CCCCC1 872002186 UTHVQHQCIHFYQZ-XJKSGUPXSA-N 329.462 2.616 0 50 EFAA CC(C)(CCN1CCN(C(=O)C(C)(C)c2ccccc2)CC1)C(=O)O 1875268605 WMAOTERSVLYYEB-UHFFFAOYSA-N 346.471 2.609 0 50 EFAA CCc1nc2cc(F)ccc2cc1C(=O)N1CCCNC(=O)[C@H]1CC 1875295040 CKASNGLZFLZPPA-QGZVFWFLSA-N 343.402 2.677 0 50 EFAA CNC(=O)Nc1ccc(C(=O)Nc2nccn2C2CC2)c(Cl)c1 1875266668 RJZYDDOTOQKBJZ-UHFFFAOYSA-N 333.779 2.875 0 50 EFAA Cn1nc2c(c1S(=O)(=O)Nc1ccc3cccnc3c1)CCCC2 1875279976 NMFSXYFSXOWIAC-UHFFFAOYSA-N 342.424 2.648 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(O)CCc3ccccc32)[nH]1 1875255412 YARDICUYZOYOIA-FQEVSTJZSA-N 332.407 2.515 0 50 EFAA C[C@@H](c1cccnc1)N1CCN(c2nc(N)c3ccsc3n2)CC1 1875287076 UJXCMHOQEKYSCH-LBPRGKRZSA-N 340.456 2.552 0 50 EFAA CC[C@@H](CCCO)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1 1875360491 BGSBAMZBBQABCO-HYVNUMGLSA-N 349.475 2.542 0 50 EFAA Cn1ccc2cc(S(=O)(=O)Nc3cnc4c(c3)CCC4)ccc21 1875332830 NKBLLIRXUXIKQG-UHFFFAOYSA-N 327.409 2.863 0 50 EFAA O=CN[C@@H](Cc1ccsc1)C(=O)N1C[C@H]2CCCCCC[C@H]2C1 1875322248 NFZYTMGPXUNYOR-BBWFWOEESA-N 334.485 2.834 0 50 EFAA O=C(N1CCS[C@@H]1c1ccco1)C12CC(C(F)(F)F)(CO1)C2 1875404466 JUBCCPHMDQZUTK-QFWMXSHPSA-N 333.331 2.965 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)COC(=O)O4)n[nH]2)cc1 952963330 JUSQJAAJHBUDFR-UHFFFAOYSA-N 341.367 2.527 0 50 EFAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCN(CC(F)(F)F)CC1 952964548 MKEBIVXHVRKBTM-ZDUSSCGKSA-N 344.377 2.774 0 50 EFAA COCC1(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)CCC1 1414224081 YZLNLJYENBQLEI-CYBMUJFWSA-N 344.502 2.660 0 50 EFAA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cccc3[nH]ccc23)C1 1775957427 UINFGRCOFWOSSR-PBHICJAKSA-N 337.427 2.668 0 50 EFAA Cc1noc(-c2ccc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)cc2)n1 1775996528 IHRUCUUUZAZOHU-KRWDZBQOSA-N 331.372 2.664 0 50 EFAA COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1 55564324 FENSXJYDPMBEKM-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA CC(C)NC(=O)CCN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 247942516 DDCMHOWKZSMBCO-VQTJNVASSA-N 343.515 2.888 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1 269181460 LFXZSWUYOVDFDT-SNVBAGLBSA-N 327.302 2.670 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Cl)n1 408521181 KUKZKNPHWJJEBU-BLLLJJGKSA-N 348.834 2.593 0 50 EFAA Oc1ncnc2c1CCN(c1ncnc3sc4c(c13)CCCC4)C2 408513980 BBMOVWVLRFQNEF-UHFFFAOYSA-N 339.424 2.628 0 50 EFAA Cc1c(NC(=O)N[C@H]2CCO[C@@H]2C2CC2)noc1-c1ccccc1F 390832959 FFACTWPUEJIMGG-GOEBONIOSA-N 345.374 3.478 0 50 EFAA Cc1c(Br)cccc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 272592290 XLRCYTRJKJSKCI-IUODEOHRSA-N 337.261 2.924 0 50 EFAA COC(=O)c1sc(NC(=O)c2ccnnc2C)nc1C1CCCC1 273271047 JMJIWNGRELTLHV-UHFFFAOYSA-N 346.412 2.938 0 50 EFAA CCNC(=O)C1(CNCc2ccc(Br)s2)CCC1 276768298 AYIZCHUDKSNNBL-UHFFFAOYSA-N 331.279 2.907 0 50 EFAA COc1cc(C)c(NC(=O)N2CCC[C@@H]2c2nncn2C)cc1F 186743151 WFLHGMGLEOOBBP-CYBMUJFWSA-N 333.367 2.640 0 50 EFAA O=C(CCc1c[nH]c2ccccc12)NCc1nc(C(=O)O)cs1 170000598 KWIQIZBNJWSIRB-UHFFFAOYSA-N 329.381 2.572 0 50 EFAA CCc1nnc(S)n1CCNC(=O)c1cc2ccccc2s1 170641485 AJXRCKFLJLUXAK-UHFFFAOYSA-N 332.454 2.774 0 50 EFAA Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)n1 280826880 XGCZWJBNQPAODB-DZGCQCFKSA-N 348.244 2.935 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 187491893 MPFUIRPLIRAZBB-CABCVRRESA-N 343.431 2.703 0 50 EFAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1cccc2[nH]ccc12 187529553 TUMYOPWGAGBTKS-UHFFFAOYSA-N 338.363 2.904 0 50 EFAA O=C1Nc2ccccc2[C@]12CCN(Cc1ccc3nccnc3c1)C2 639068185 CPPYXAZMBKODPW-HXUWFJFHSA-N 330.391 2.726 0 50 EFAA Cc1ccnc(-n2nccc2NC(=O)NC[C@H]2CCC(C)(C)O2)c1 189823373 HVDKMLLTCAMTFW-CYBMUJFWSA-N 329.404 2.655 0 50 EFAA COC(C)(C)C[C@@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 190850530 HECJTHNXMIVYJY-CHWSQXEVSA-N 337.468 2.691 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@@H](OCc3ccncc3)C2)cc1 192898218 AZGWMYXXISAYRU-QGZVFWFLSA-N 346.452 2.671 0 50 EFAA O=C1c2ccccc2-c2nn(C[C@@]3(O)CCCOC3)c3cccc1c23 656694141 GUVRYHDOYHETHS-FQEVSTJZSA-N 334.375 2.789 0 50 EFAA CC1(C)Cc2n[nH]cc2CN(CC(=O)Nc2ccc3c(c2)CCC3)C1 664868742 QPYCIMRXNDARLZ-UHFFFAOYSA-N 338.455 2.921 0 50 EFAA CC(=O)N1CC[C@H](NC(=O)CCc2csc(C)n2)c2ccccc21 757627589 KTANTONJTOMHEF-INIZCTEOSA-N 343.452 2.998 0 50 EFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O 1506422905 ATFBUZQCWQJQBK-LBPRGKRZSA-N 333.413 2.636 0 50 EFAA O=C(O)CNc1cccc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1 208314336 RDXPKKCIBZVYIN-DZKIICNBSA-N 326.396 2.515 0 50 EFAA Cc1sc(C(=O)N[C@H]2CCC(=O)NC2(C)C)cc1Br 424832770 ZAZHQRNXNQXGME-JTQLQIEISA-N 345.262 2.606 0 50 EFAA COc1cccc(OCC(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)c1 1704301382 XDIYVGHFYHNYIK-MJGOQNOKSA-N 333.428 2.882 0 50 EFAA CCOc1ccc(CN(C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)C2CC2)cc1 1704334231 GYDCDXUMNHZEJZ-AYOQOUSVSA-N 347.455 2.752 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(CN(CCO)Cc2cnc(C)[nH]2)c1 1704314442 QSBLUSSVDAJYGY-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc4scnc4c3)CCN21 1615964389 FAIZDMAPRPXGPP-CABCVRRESA-N 345.468 2.622 0 50 EFAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1C1(O)CC1 1772819843 VMHLTFVVBAACIW-OAHLLOKOSA-N 328.437 2.863 0 50 EFAA CN(Cc1cnc(C(=O)O)cn1)Cc1csc(-c2ccccc2)n1 1772701641 OOHHTWYCCXMUGQ-UHFFFAOYSA-N 340.408 2.930 0 50 EFAA CO[C@H](C[C@@H](OC)n1nnc2ccccc21)n1nnc2ccccc21 5356473 RXQRKOYGDKYFNW-IAGOWNOFSA-N 338.371 2.556 0 50 EFAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)C2CCOCC2)C1 11759002 STITXWYXDQLMQH-ZDUSSCGKSA-N 337.366 2.813 0 50 EFAA COc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCC2)c1C 12274290 WHEAXFVTPZIUGU-UHFFFAOYSA-N 334.807 2.910 0 50 EFAA COC(=O)CCCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12297593 GRPGDBNTAAJMBI-CYBMUJFWSA-N 340.370 2.711 0 50 EFAA O=C(NC1CC1)C1CCN(C2CCN(C3CCCCC3)CC2)CC1 12756339 QUBXKDFFHSMKPK-UHFFFAOYSA-N 333.520 2.774 0 50 EFAA CC(C)CCN1CCOc2ccc(CN3CCC(O)CC3)cc2C1 14882460 CTHKRVUZPWKKAU-UHFFFAOYSA-N 332.488 2.884 0 50 EFAA CN1c2cc(C(=O)NCc3ccccc3)ccc2C(=O)N2CCC[C@@H]21 169765873 BBZCJGGMKNUVDB-GOSISDBHSA-N 335.407 2.629 0 50 EFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Cl 4156245 HSFUBVPWXKBRKW-ZDUSSCGKSA-N 340.832 2.874 0 50 EFAA O=C1C[C@@H](c2ccccc2)N=C(SCC(=O)NC2CCCCC2)N1 6530090 QAIBVZGSWCBWKD-HNNXBMFYSA-N 345.468 2.786 0 50 EFAA CCOC(=O)c1cn2nc(SCc3ccccc3)nc2nc1C 4511176 SGCMZYNBVACSID-UHFFFAOYSA-N 328.397 2.902 0 50 EFAA O=S(=O)(NCCSc1nc2ccccc2o1)c1ccccc1 2330167 GTYXRBCWTYPUKD-UHFFFAOYSA-N 334.422 2.898 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)N(Cc1ccccc1)Cc1cc[nH]n1 225403552 CHVXHSGPLUYKAT-HNNXBMFYSA-N 348.472 2.531 0 50 EFAA CC(C)Oc1cncc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 121492846 GRMVSLTXWOLMPA-OAHLLOKOSA-N 346.475 2.739 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 237967485 MIUMUBSZSTYSCS-AWEZNQCLSA-N 327.384 2.589 0 50 EFAA O[C@H]1CCN(Cc2cccc(NCc3cccc4nsnc34)c2)C1 1658023298 YZAMVJYKOMFQLQ-INIZCTEOSA-N 340.452 2.870 0 50 EFAA COC[C@H](C)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 264620753 RBLHLDPVQFDRQY-LRDDRELGSA-N 325.836 2.895 0 50 EFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc2cccn2cn1 905434815 ATAHUVSZOODLRU-CYBMUJFWSA-N 349.316 2.993 0 50 EFAA COc1ccnc(OC)c1NC(=O)C[C@H]1CC(=O)Nc2ccccc21 906132063 XDPOYCRIZFDLOF-LLVKDONJSA-N 341.367 2.553 0 50 EFAA CCc1cc(CC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)n(C)n1 828775466 GYWJYVKSDCJPLB-CQSZACIVSA-N 343.475 2.778 0 50 EFAA COCc1ccc([C@@H]2COCCN2C(=O)c2ncc(C)cc2C)o1 928523063 PIRXLYIUTFXXDR-HNNXBMFYSA-N 330.384 2.652 0 50 EFAA Cn1nnc2cc(NC[C@@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)ccc21 843422978 KEHMQUCZTCODNE-KPZWWZAWSA-N 343.431 2.637 0 50 EFAA Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccc3)cc2n(C)c1=O 33678 CLADVIXGIMPLNR-UHFFFAOYSA-N 345.402 2.754 0 50 EFAA biogenic O=C(O)C[C@@H]1CC[C@H]2CN(c3cc(NC4CC4)ncn3)CC[C@H]2C1 2325777268 QHLOKVMEFSRLKJ-RDBSUJKOSA-N 330.432 2.768 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3ccn(CCO)c3C)cc2)c1C 2325804331 GMYAHPPNXWRFDQ-UHFFFAOYSA-N 338.411 2.844 0 50 EFAA CC(C)(O)[C@H]1CCN1C(=O)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2325808549 AQGLDIMHIVPKFH-DLBZAZTESA-N 330.472 2.659 0 50 EFAA Cc1ccc2c(C(=O)N[C@]3(c4ccccc4)CCNC3)cnn2c1C 2325825781 BEQXCNHDNLPAOW-HXUWFJFHSA-N 334.423 2.570 0 50 EFAA CO[C@H]1CC[C@H]1Cc1nc(-c2cnn(Cc3ccccc3)c2)nn1C 2325849437 PMHWLSBXTMHHBS-RDJZCZTQSA-N 337.427 2.694 0 50 EFAA Cc1cccc2c(C(=O)N3CCN(C)[C@H](Cc4ccccc4)C3)n[nH]c12 2325857713 MOEBPBYMJMAGOT-QGZVFWFLSA-N 348.450 2.870 0 50 EFAA CC[C@@H]1OCC[C@H]1C(=O)N[C@](CC)(C(=O)O)c1ccc(Cl)cc1 909605945 BFRQMNMHQHHTJV-KEYYUXOJSA-N 339.819 2.961 0 50 EFAA O=C(NCc1ccccc1)NCc1ccccc1N1CCOCC1 142168107 CRVGDIFJXSEEBW-UHFFFAOYSA-N 325.412 2.523 0 50 EFAA O=C(Cc1ccc(O)cc1)NCC(=O)Nc1cccc2ccccc12 133540511 ZXRAUEFQSVTIKA-UHFFFAOYSA-N 334.375 2.843 0 50 EFAA CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1803075 PFQRURGRRBJRFH-KBPBESRZSA-N 327.446 2.663 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccn2C)n2ncnc2N1 8609904 OREGWHKKTWIKQE-MRXNPFEDSA-N 334.383 2.544 0 50 EFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)no1 23058207 BXULJYIMAVCWDM-CYBMUJFWSA-N 328.340 2.787 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cl 100099545 QACDKMVFVUKOML-TXEJJXNPSA-N 332.787 2.620 0 50 EFAA CCCN1CCN(C(=O)c2cnn3ccncc23)c2cc(F)ccc21 344045511 GFJRRRZTYHFJME-UHFFFAOYSA-N 339.374 2.745 0 50 EFAA CC(C)(C)C1=NC(=O)C2(CCN(C(=O)C3CCCCCC3)CC2)N1 55282794 RTAOYHFEKKGIJL-UHFFFAOYSA-N 333.476 2.892 0 50 EFAA CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 100842454 LTYOSFJRLOPDLJ-WCVJEAGWSA-N 337.375 2.565 0 50 EFAA Cc1nc(S)sc1CC(=O)NCc1ccn(C2CCCC2)n1 134959967 MFNMNCAEDKJXMJ-UHFFFAOYSA-N 336.486 2.911 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 67111878 KGZHZVHGGIBGEY-LBPRGKRZSA-N 332.429 2.631 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@H](CN)C3)c(C)o2)cc1 67457751 NSRAKDPHNSFZNV-CQSZACIVSA-N 333.457 2.531 0 50 EFAA Cc1nc[nH]c1-c1nccn1CCC(=O)Nc1ccc(N(C)C)cc1 67674472 UTFUZYXRIKCKKX-UHFFFAOYSA-N 338.415 2.676 0 50 EFAA COC1([C@H](C)NC(=O)Cc2cccc(OC(C)C)c2)CCOCC1 421763376 VLOFOFSKAVZYAD-HNNXBMFYSA-N 335.444 2.717 0 50 EFAA O[C@H](CN1CCC[C@@H](O)C1)c1ccc(OCc2ccccc2)cc1 229234099 QXTFHQIZJOBKIC-UYAOXDASSA-N 327.424 2.756 0 50 EFAA COc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CCCO1 63870945 YRGCGDBQCZHBPF-GOSISDBHSA-N 326.396 2.798 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(N[C@H](C)C3CC3)nc2)no1 20453620 LUNFOEMAKVVEPY-LLVKDONJSA-N 329.404 2.728 0 50 EFAA 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Cc1nc(C)c(CC(=O)NCC2(c3ccccc3)CCCC2)c(=O)[nH]1 31227710 XSVINISNISYCQI-UHFFFAOYSA-N 339.439 2.557 0 50 EFAA c1ccc(OCCCN2CCCCC2)c(CN2C[C@@H]3CNC[C@@H]3C2)c1 215772564 LRWISGWHFYABFE-BGYRXZFFSA-N 343.515 2.593 0 50 EFAA CCc1nc2c(N(C)Cc3nc(-c4ccccc4)no3)ncnc2o1 77341317 GPQRTKBQUHLVKJ-UHFFFAOYSA-N 336.355 2.867 0 50 EFAA C[C@@H](Cn1cccn1)Nc1nc(C2CCCC2)nc2c1CCNCC2 72409383 UGZGSNIERRACOB-AWEZNQCLSA-N 340.475 2.520 0 50 EFAA CO[C@H](C(=O)N1CCC(c2ncccc2Cl)CC1)c1cnn(C)c1 374289110 VCEWJGMVOYEENH-INIZCTEOSA-N 348.834 2.562 0 50 EFAA CCCCn1nc(NC(=O)c2cc(-c3cnn(C)c3C)no2)cc1C 13641842 AVBQEDKKEAIKBC-UHFFFAOYSA-N 342.403 2.941 0 50 EFAA CCn1c(CC2CCN(Cc3cc4ccccc4o3)CC2)n[nH]c1=O 71759070 CQGDPYSSTSTDCW-UHFFFAOYSA-N 340.427 2.792 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)N3CCO[C@H](CC(=O)O)C3)oc12 237662853 VOVFZTPLXVGHQA-CYBMUJFWSA-N 331.368 2.674 0 50 EFAA Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)s1 174557722 HATFEQNGKXAWTJ-VIFPVBQESA-N 346.399 2.787 0 50 EFAA O=C(NCc1ccccc1-n1cncn1)c1ccc(N2CCCC2)cc1 223846712 ROVFVWRQHKZJAT-UHFFFAOYSA-N 347.422 2.798 0 50 EFAA COCc1noc(CCNC(=O)C2c3ccccc3-c3ccccc32)n1 220308273 CPRLVQYAMVUDCR-UHFFFAOYSA-N 349.390 2.687 0 50 EFAA OC[C@H]1CCCN(c2cc(N3Cc4cccc(Cl)c4C3)ncn2)C1 288597764 SYAKILSVOHBIQA-ZDUSSCGKSA-N 344.846 2.859 0 50 EFAA CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)C1 245897831 DGCQWQLUMNDBTB-JUSBFGHESA-N 339.483 2.698 0 50 EFAA CC(=O)N1CCN(c2cccc(NC(=O)[C@H](C)C3CC3)c2C)C1=O 289583772 IXVLDNZLWDNKCM-LLVKDONJSA-N 329.400 2.768 0 50 EFAA CN(C(=O)c1cc2c(s1)CCOC2)[C@H](Cc1ccccc1)C(=O)O 263477734 UAIDDPZKWBKQOL-CQSZACIVSA-N 345.420 2.589 0 50 EFAA CCCCc1cc(=O)[nH]c(-c2ccc(CN(C)CCOC)cc2)n1 48179605 KGGMNPMHIMTXDB-UHFFFAOYSA-N 329.444 2.858 0 50 EFAA CCS(=O)(=O)Nc1ccc([C@@H](C)NCCCN2CCCC2)cc1 178413521 KMBOBSDAXQKLTR-OAHLLOKOSA-N 339.505 2.585 0 50 EFAA Cn1nc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c2ccccc21 220628855 KPLCMULQSVPDSF-UHFFFAOYSA-N 331.379 2.689 0 50 EFAA Cc1ccc(CCNC(=O)c2ccccc2N2CCOCC2)s1 221419841 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328.372 2.515 0 50 EFAA CNc1nccnc1-c1ccc(C(=O)NCCCOC(C)C)cc1 534630503 HOPJJCTVWBZIJL-UHFFFAOYSA-N 328.416 2.730 0 50 EFAA Fc1ccc(N2CCC(NCCc3noc(C4CC4)n3)CC2)cc1 584896368 WGEULKDZXUTZPB-UHFFFAOYSA-N 330.407 2.887 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CCCC2)c(C)s1 670436513 GPHDICFHGMPLEM-AWEZNQCLSA-N 330.519 2.764 0 50 EFAA C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(-n2ccnc2)cc1 1295515165 YQKVIQARDIHMEA-JXFKEZNVSA-N 349.434 2.696 0 50 EFAA COc1ccc(NC(=O)NCc2nc(C(F)(F)F)no2)cc1F 874435110 LRPYBMBAJCJVGY-UHFFFAOYSA-N 334.229 2.558 0 50 EFAA O=C(c1cc(-c2ccc(F)cc2)on1)N(C1CC1)[C@H]1CCCNC1 1875277836 IORIEJNEJCOACC-HNNXBMFYSA-N 329.375 2.837 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 1875304269 FUHNVXFBZFOLMK-VBHSOAQHSA-N 333.428 2.883 0 50 EFAA O=C(NC[C@]1(F)CC[C@H](CO)CC1)[C@H]1CCc2cc(F)ccc2O1 1875310623 WARPIEWFWGTYNC-XHBKTUGNSA-N 339.382 2.526 0 50 EFAA CC(C)c1ccccc1[C@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccn1 1875310913 GWUBLFZILKVAFG-SUMWQHHRSA-N 340.427 2.792 0 50 EFAA CN1CCC[C@@H](c2nnc3sc(-c4cccc(N(C)C)c4)nn23)C1 951726891 ODONIKWOYVUSNC-CYBMUJFWSA-N 342.472 2.728 0 50 EFAA O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2nccn2C2CC2)CC1 894425901 VXVKMRQVADCGEI-UHFFFAOYSA-N 347.850 2.594 0 50 EFAA O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 895550766 AUNWEPBGFKLYRY-ZTRFORPCSA-N 340.423 2.956 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCc2cc(F)cnc21 1361736731 CSIANMZUXSSXQN-UONOGXRCSA-N 349.406 2.803 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1c[nH]nc1C(F)(F)F 631790718 ZJIQZBUPZDDHIP-NSHDSACASA-N 345.346 2.703 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)C2CCCCC2)CC1 170067723 RJQYQRBDRPIDAG-HNNXBMFYSA-N 330.538 2.995 0 50 EFAA COc1cccc([C@@H](C)N2CCN(Cc3nc(C4CC4)n[nH]3)CC2)c1 170594610 FOQSKVOROOJELB-CQSZACIVSA-N 341.459 2.570 0 50 EFAA CCc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)n(C)n1 170633870 LFTNKOSKHFRDGK-ZIAGYGMSSA-N 334.464 2.642 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C 644828740 FDPPVMXZBYXRJL-AWEZNQCLSA-N 330.407 2.701 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N(c1ccccc1)[C@@H]1CCOC1 192072074 AKCMJHFKLMGFPE-MRXNPFEDSA-N 325.364 2.894 0 50 EFAA Cc1cc(C)cc(CC(=O)N(C)c2ccc(OCC(=O)O)cc2)c1 668289608 BGABIVANNUNDKU-UHFFFAOYSA-N 327.380 2.972 0 50 EFAA C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1c1ccccc1 669355115 MWGNAGVFLJKISD-DZOHQFGASA-N 325.412 2.508 0 50 EFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1 1506425018 KGMJIZYWBBLATK-GFCCVEGCSA-N 329.787 2.865 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2OC)C[C@@H]1NC(C)=O 225399095 LOIVXYCSOPZLLS-WFASDCNBSA-N 338.835 2.725 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc(C)c(O)c2)n1 1772703823 FKUQUYNWVBMKJR-UHFFFAOYSA-N 325.290 2.748 0 50 EFAA Cn1cnc2ccc(-n3ccnc3-c3ccc(OCCO)cc3)cc21 1772819467 UTCKWCSCMGJSMG-UHFFFAOYSA-N 334.379 2.797 0 50 EFAA O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H]2COCC[C@]2(CO)C1 1772703340 WZZYJRIGDIDMSS-IAQYHMDHSA-N 344.333 2.568 0 50 EFAA Nc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc(F)cc1 11693028 GDSGDNYQDXLXQP-UHFFFAOYSA-N 331.738 2.894 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 12379664 HZNGVFQPVOXNIZ-UHFFFAOYSA-N 339.395 2.734 0 50 EFAA COc1ccc(CC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 12593519 CTAFUINMBRFUCF-QGZVFWFLSA-N 327.428 2.763 0 50 EFAA CCCCS(=O)(=O)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 16514185 XIKLLSAVPUXAMA-HNNXBMFYSA-N 328.474 2.939 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)c2cnc(C(F)(F)F)nc2)o1 157228726 PFRIMVMBKHVWJH-LLVKDONJSA-N 341.289 2.611 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCOC2(CCNCC2)C1 1857678153 CJMXXGSMAAXKLE-GOSISDBHSA-N 340.471 2.810 0 50 EFAA CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCCCC[C@@H]2O)c1C 1857678747 QRFXCFHYAHTPNF-KBPBESRZSA-N 336.432 2.622 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225683473 QZNZVTHFYWDADO-RHSMWYFYSA-N 337.354 2.717 0 50 EFAA C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)S1=O 331099561 CJQVHLSAALDSCJ-VXGBXAGGSA-N 334.466 2.792 0 50 EFAA CN(Cc1ncccc1C(=O)O)[C@H]1CCCN(c2ccccc2)C1 652353849 FLRRYZTYMXFPOP-INIZCTEOSA-N 325.412 2.881 0 50 EFAA 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Cc1ccc(S(=O)(=O)n2ccc3ccc(CC(=O)O)cc32)cc1 257732181 IDUARJGQTOIFEK-UHFFFAOYSA-N 329.377 2.814 0 50 EFAA CCC[C@H](NC(=O)Cc1ccc2nc(C)[nH]c2c1)c1nccn1C 534673112 GTSDIYAMRZQLAR-HNNXBMFYSA-N 325.416 2.805 0 50 EFAA Cc1ccc([C@@]2(C(=O)NCCSc3nncn3C)CC2(C)C)cc1 299772501 ABXVUCYIHBRAQD-GOSISDBHSA-N 344.484 2.700 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)nc(C)n1 825264409 DTBPASODGXEVSU-GFCCVEGCSA-N 339.374 2.909 0 50 EFAA Cc1nc(-c2cccc(C(=O)N(C)CCC[C@H]3CCCO3)c2)n(C)n1 584891503 BBLLZRLPUBDICB-KRWDZBQOSA-N 342.443 2.822 0 50 EFAA Cc1ccnc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1N 869788021 YMDVLVHCZKLSRM-UHFFFAOYSA-N 327.384 2.765 0 50 EFAA Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)O)c2c1C 1875266103 VMNKWCQDBNXNSS-UHFFFAOYSA-N 328.397 2.891 0 50 EFAA COc1ccc(CN2[C@@H](C(=O)O)CC[C@@H]2C(F)(F)F)c(OC)c1 1875283603 XKCBKYRANYWYNG-DGCLKSJQSA-N 333.306 2.684 0 50 EFAA CC[C@H](C)N1CC[C@H](CN=c2cc(-c3ccccn3)nc(C)[nH]2)C1 1875288238 TXBMZFNISYYWQW-GOEBONIOSA-N 325.460 2.801 0 50 EFAA O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1([C@@H]2CCCNC2)CC1 1875367814 PDIDOQOHMLKGHP-DPQIITEBSA-N 340.876 2.762 0 50 EFAA CS(=O)(=O)NC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 1875390477 XTMCGVWHGLBWQB-UHFFFAOYSA-N 349.799 2.573 0 50 EFAA Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H]2c2ccccc2)ccc1N 1875313577 PMMJBIFYAFCEBC-WBVHZDCISA-N 337.423 2.826 0 50 EFAA Cc1nn(Cc2cccc3nsnc23)c(C)c1[C@@H]1COCCN1C 952893646 JQNUQBVXLLWGGN-HNNXBMFYSA-N 343.456 2.556 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@@H]2CCC[C@]2(c2nnc(C)o2)C1 952889784 MQOFJKYXOXRXHS-LIRRHRJNSA-N 343.475 2.790 0 50 EFAA Cc1ccc2oc(CN[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)cc2c1 1875400185 SVUMUPBRPNHLDC-BMGDILEWSA-N 325.412 2.867 0 50 EFAA NCc1ccc(CNC(=O)N2CCC[C@@H](OC3CCC3)CC2)c(F)c1 892229434 RCEZZLNNXNULAH-QGZVFWFLSA-N 349.450 2.918 0 50 EFAA COc1cccc2c1[C@@H](C(=O)NCc1ccc(CCO)cc1)CC2 890639219 IUJKLUMAUXVRNB-KRWDZBQOSA-N 325.408 2.576 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)cn3C)C2)o1 1775957763 LZGXVTKHNGUSBM-PWSUYJOCSA-N 336.823 2.765 0 50 EFAA 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CN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 121414134 JPXDBOMZAZSZLH-UHFFFAOYSA-N 347.434 2.712 0 50 EFAA O=C(c1cccc(OCc2ccccc2)c1)N1C[C@@H](F)C[C@H]1CO 347411805 PSHWGEHZMUILHB-IRXDYDNUSA-N 329.371 2.811 0 50 EFAA COCCn1cc(CNC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cn1 252479192 BAQMBBIOAAVAIA-KDOFPFPSSA-N 342.443 2.571 0 50 EFAA O=C(N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1)c1ccco1 253426758 AVEYEPJSTTXXHD-GFCCVEGCSA-N 336.273 2.936 0 50 EFAA COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCCCC1 376106105 FNPCIHSCNHYBFD-MSOLQXFVSA-N 331.456 2.960 0 50 EFAA COC1CCC(N(C)C(=O)c2sc(-c3ncccn3)nc2C)CC1 265230999 VHNGWQHXSSNFMG-UHFFFAOYSA-N 346.456 2.938 0 50 EFAA CCc1nc(-c2ccc(C(=O)NC[C@@]3(C)CCCCO3)cc2)n[nH]1 832482811 KHCSKYDIUQCGDN-GOSISDBHSA-N 328.416 2.723 0 50 EFAA O=C(Nc1nnc2n1CCCC2)c1ncc(C(F)(F)F)cc1Cl 935297450 GVJMVPGDDHJFFK-UHFFFAOYSA-N 345.712 2.934 0 50 EFAA Cn1ncc(Br)c1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 343645459 XTZSDWQTKAFDOF-KYOSRNDESA-N 342.281 2.698 0 50 EFAA OC[C@]1(F)CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12CCC2 2325780747 MTRLPNFSPFABMN-GOSISDBHSA-N 344.365 2.941 0 50 EFAA Cc1cc(C)c2ccc(NC(=O)[C@H]3CNc4cnn(C)c4C3)nc2c1 2325789233 GBJLXHUNYKQJAH-CYBMUJFWSA-N 335.411 2.808 0 50 EFAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)CCCC2 2325796124 VGBNLCYSKJDGAU-QGZVFWFLSA-N 334.423 2.950 0 50 EFAA Cc1cc(S(=O)(=O)N=c2[nH]ccnc2C)c(Cl)cc1Cl 2325854272 VVXNONWNJWQAMT-UHFFFAOYSA-N 332.212 2.623 0 50 EFAA CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)[C@@H](N)CC(=O)O)cc1 884403469 GUXCVMXMWNZMBC-JXFKEZNVSA-N 346.471 2.710 0 50 EFAA O=C(c1ccsc1C(F)F)N1CCC[C@H](Cn2cncn2)C1 933240008 SNCKXTPKWODTFU-JTQLQIEISA-N 326.372 2.830 0 50 EFAA O=C(Oc1cccc(F)c1)[C@H]1CCCCN1C(=O)c1cccnc1 151461608 BAABZSDVXDREKN-MRXNPFEDSA-N 328.343 2.821 0 50 EFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1 783777 KOKJYSFCUDPACI-QGZVFWFLSA-N 331.755 2.761 0 50 EFAA O=C(CCS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1 2877252 IGYYPYVMAPUIEF-UHFFFAOYSA-N 343.448 2.576 0 50 EFAA O=C1CCCN1c1cccc(N2CCC(N3CCCOCC3)CC2)c1 23368472 GYYREBODFCLKDU-UHFFFAOYSA-N 343.471 2.505 0 50 EFAA COc1ccc(-c2cc(C(=O)Nc3ccc(OC)nc3)n(C)n2)cc1 170622219 OWLHAROBEBFFTD-UHFFFAOYSA-N 338.367 2.752 0 50 EFAA COc1ccccc1OCC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67676616 RDMVCPFUPUMWCA-UHFFFAOYSA-N 341.411 2.704 0 50 EFAA COc1cc(Oc2ncccc2C(N)=O)ccc1CN1CCCC1 67654329 PKDSBFIPOGIWIJ-UHFFFAOYSA-N 327.384 2.577 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc(C(=O)O)c1C 248880086 ODLKOILBOJKRDR-XJKSGUPXSA-N 337.441 2.955 0 50 EFAA Cc1ccc(-n2c(N)c(C(=O)N3CCN(C)CC3)sc2=S)cc1 22478713 JDJIWCZWIJBATK-UHFFFAOYSA-N 348.497 2.547 0 50 EFAA CNC(=O)c1ccc(CNc2cc(-c3ccccc3)nc3ccnn23)o1 72425383 LDFQHQFFNKHISK-UHFFFAOYSA-N 347.378 2.961 0 50 EFAA Cc1cc(N2CCN(Cc3ccnc(C(C)C)n3)CC2)cc(C)n1 72426745 QCACVCGWPBAFKW-UHFFFAOYSA-N 325.460 2.934 0 50 EFAA CC[C@@H](c1nc(C)nn1-c1ccc2c(c1)OCCO2)n1cccn1 63869413 LHQUGTOUZIKPLF-AWEZNQCLSA-N 325.372 2.543 0 50 EFAA O=C(C1CCOCC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123507767 HYOVTNGZAXKDMF-CABCVRRESA-N 343.345 2.766 0 50 EFAA CCc1ccc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 252536150 HRMHSAPUBLMQCQ-UHFFFAOYSA-N 325.368 2.902 0 50 EFAA Cc1cc(NC(=O)CCn2nc(C)c(Br)c2C)no1 2780376 BAEMPGZBUJWBEE-UHFFFAOYSA-N 327.182 2.588 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@H]1CCCN(C2CCCCC2)C1 253369336 BBUHYJFEDSIUBC-CGTJXYLNSA-N 342.549 2.729 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCNC2=O)cc1)c1ccccc1Cl 72119329 WHIXDRIZMQJLNE-UHFFFAOYSA-N 343.770 2.758 0 50 EFAA CNc1nc(C)cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)n1 253417927 IUQCYFXPDHYHAY-PBHICJAKSA-N 340.427 2.737 0 50 EFAA O[C@@]1(CN2CCCCC2)CCN(Cc2ccc(F)c(Cl)c2)C1 77540752 MMVCNOOZUTZSAP-QGZVFWFLSA-N 326.843 2.902 0 50 EFAA CC(C)c1ccc([C@H](N)CNC(=O)c2n[nH]c3c2CCCC3)cc1 152003280 OSSICPXKKHSEFW-MRXNPFEDSA-N 326.444 2.842 0 50 EFAA CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 154987446 CXUBTDIIEMQWFF-HNNXBMFYSA-N 338.407 2.514 0 50 EFAA FC(F)(F)c1cc([C@H]2CCCN(CCOC[C@H]3CCCO3)C2)n[nH]1 257366310 RGEXEPSMIXAKMX-QWHCGFSZSA-N 347.381 2.804 0 50 EFAA Cc1cccc2c(N[C@@H]3CCCN(c4nccnc4O)C3)ncnc12 328629784 PDZXFAAECUXGBH-CYBMUJFWSA-N 336.399 2.515 0 50 EFAA CCCc1nc(C(=O)N2CCCO[C@H](C)C2)nn1-c1ccccc1F 172955069 MBGVLBRRUAZZGP-CYBMUJFWSA-N 346.406 2.610 0 50 EFAA NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)C1 367526190 VJAVSQSYCRVESO-KRWDZBQOSA-N 345.402 2.849 0 50 EFAA CC(C)CN1CCC(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)CC1 438273890 RZWSPJUGPZHQEC-INIZCTEOSA-N 344.503 2.778 0 50 EFAA COCC(=O)N1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 215774289 HDFPIMGXQHEWNQ-UHFFFAOYSA-N 331.243 2.674 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccc(C)o1 175691067 ZUEGVLQNGQWSEY-HUUCEWRRSA-N 332.404 2.556 0 50 EFAA O=C1CC[C@@]2(CCCN(c3ccccn3)C2)CN1Cc1ccccn1 72422583 WNTYFBFHQHKGOZ-HXUWFJFHSA-N 336.439 2.886 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NCc2ccc3nonc3c2)cc1 72408808 DDOUHNWUIHLHPN-UHFFFAOYSA-N 339.395 2.856 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(OCC(F)(F)F)cc1 262624535 NKQLRCUWRAKSFV-XXILOJSOSA-N 331.290 2.526 0 50 EFAA Cc1cc(C)n([C@H](C)Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)n1 333695022 JPJDDHLAXBBMJG-OWCLPIDISA-N 345.447 2.612 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1c[nH]c(=O)c(Cl)c1 77487387 IMTDFOOMRNKGEX-ZDUSSCGKSA-N 345.830 2.627 0 50 EFAA Cc1ccnn1CC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77386928 PBTBURYKYCNZJW-OAHLLOKOSA-N 331.391 2.648 0 50 EFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cccc2c1OCCO2 284791328 RKQQZEZDYDNXGV-KXBFYZLASA-N 343.427 2.855 0 50 EFAA CC(C)(NC(=O)[C@H]1Cc2ccccc2O1)c1cn(-c2ccccc2)nn1 176093506 STJDUMPHSXBUEN-QGZVFWFLSA-N 348.406 2.622 0 50 EFAA COCC1(CNC(=O)c2c(C)nn(CC(F)F)c2C)CCCC1 456867181 IQVJBDZKUYGEBO-UHFFFAOYSA-N 329.391 2.702 0 50 EFAA CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCC1 176331961 APCBCKHCLVUXJF-HNNXBMFYSA-N 330.428 2.693 0 50 EFAA COc1ccc(-c2ccc(CS(C)(=O)=O)cn2)c2cccnc12 426552302 IDKGZEZILPWIFJ-UHFFFAOYSA-N 328.393 2.850 0 50 EFAA CCOC1CCN(C(=O)c2ccc(-c3ncccc3N)cc2)CC1 426606793 SSHDXWMQERBMBS-UHFFFAOYSA-N 325.412 2.972 0 50 EFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ccccc1-n1cccn1 19113003 CEDNJOBYHZVVGD-UHFFFAOYSA-N 337.383 2.795 0 50 EFAA CCOC[C@@H](O)CNC(=O)c1cccc(-c2cccc3[nH]ccc23)c1 426495537 AGAKKRIDIVJEFO-INIZCTEOSA-N 338.407 2.962 0 50 EFAA CC(C)[C@](C)(CN)NC(=O)c1ccc(N(C)c2ccccc2)nc1 178159159 HRBPWVYHISYBHY-IBGZPJMESA-N 326.444 2.953 0 50 EFAA Cc1cc(C(=O)NCCCc2scnc2C)c2c(C)nn(C)c2n1 426471753 ZTQUWQVEYGVXHD-UHFFFAOYSA-N 343.456 2.713 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)CCc1ccc(Br)cc1 237590170 BIEASKKHIUZRMX-SMDDNHRTSA-N 325.250 2.720 0 50 EFAA CC(C)(CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O)C(=O)O 91664585 GSDXDDUUBDZJMY-LJQANCHMSA-N 347.411 2.697 0 50 EFAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 95528729 ZOHDTWNZZTWBAR-GFCCVEGCSA-N 348.834 2.826 0 50 EFAA Cc1ccccc1[C@@H](CC(=O)NCc1n[nH]c(N)n1)c1ccccc1 95510300 IKRCLQIDLMRWHB-INIZCTEOSA-N 335.411 2.534 0 50 EFAA c1ccc(C[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CCO2)cc1 292813793 SGILPBUTDCPCHK-MRXNPFEDSA-N 335.411 2.609 0 50 EFAA CC(C)N1CCO[C@@H](CC(=O)NCc2ccccc2C(F)(F)F)C1 97546628 OUEKCHKKEBEQPP-AWEZNQCLSA-N 344.377 2.821 0 50 EFAA CCCc1nc(C)c(C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)s1 294136804 KSSIOPSFGRSODC-IAQYHMDHSA-N 345.468 2.791 0 50 EFAA CCc1nnc(CN(C(=O)Cc2cnc3c(C)cccn23)C(C)C)o1 97600898 AOBOKFWBYKFPBX-UHFFFAOYSA-N 341.415 2.568 0 50 EFAA O=C(c1ccc2c(c1)CCCN2)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91915124 SYQYQGBJKAUUGX-VQIMIIECSA-N 339.483 2.991 0 50 EFAA CCc1ncc(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cn1 95364354 XEFXIONVKKFMPK-NSHDSACASA-N 345.399 2.556 0 50 EFAA COc1cccc(O[C@@H](C)c2nc(-c3ccco3)nn2CC(=O)O)c1 97578524 YKADQYUEJBXNSR-NSHDSACASA-N 343.339 2.771 0 50 EFAA Cc1cccnc1CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1 181085884 IWWFRDCZIJXNRJ-OAHLLOKOSA-N 333.432 2.655 0 50 EFAA Cc1cc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1F 91876939 YNTRPQLBUGNJCR-GOSISDBHSA-N 348.462 2.780 0 50 EFAA CN1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 95375327 HRHNNOSNNWXBRL-FQEVSTJZSA-N 346.434 2.545 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1cncn1C1CCCCC1 244882674 XWINZUPIGUKWCI-UHFFFAOYSA-N 333.436 2.940 0 50 EFAA O=C(O)c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 244758086 OSDBMBIDRKZJLM-WKILWMFISA-N 347.411 2.597 0 50 EFAA CN1CC[C@@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 245343917 WLAKFWOHVRZTBK-XHDPSFHLSA-N 337.782 2.890 0 50 EFAA O[C@@H](CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccccc1 298191359 ARHFUFZSZMFVOE-ROUUACIJSA-N 340.471 2.918 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)Nc2ccncc2F)C1 184237605 BWQWZQIOCNZYGA-GFCCVEGCSA-N 330.363 2.630 0 50 EFAA c1ccc([C@@H]2CN(c3cncc(-n4cccn4)n3)[C@H]3CCOC[C@@H]32)cc1 286436495 SGEXAIFTFFFILR-KSZLIROESA-N 347.422 2.671 0 50 EFAA Cc1nc(C)n(CCNC(=O)Nc2cccc(OC(F)(F)F)c2)n1 299787005 SMCKWTQPJGWTPJ-UHFFFAOYSA-N 343.309 2.615 0 50 EFAA CN(Cc1cccc(OCCN2CCNCC2)c1)Cc1cccs1 299772120 YMFMFFRROUFBCP-UHFFFAOYSA-N 345.512 2.664 0 50 EFAA CCCc1nc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cs1 299761202 WRLLGQYJQRFESP-GFCCVEGCSA-N 335.473 2.617 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)c1cnccn1)C2 299765848 CDMICCYVHSDTSM-OAHLLOKOSA-N 346.390 2.581 0 50 EFAA Cn1nc2c(c1NC(=O)c1cc3ccccc3c(=O)s1)CSC2 828147323 OTMZCBHRQHLJJV-UHFFFAOYSA-N 343.433 2.994 0 50 EFAA O=C(CCc1cccnc1)N[C@@H]1CCCN(Cc2cccs2)C1 828013100 PNNLIUSKVKVXOO-MRXNPFEDSA-N 329.469 2.857 0 50 EFAA COc1ccc(NC2(C(=O)N3CC[C@H](CO)C3)CCCCC2)cc1 584898986 AHIAARXDIYZKQY-HNNXBMFYSA-N 332.444 2.651 0 50 EFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cnc(C2CC2)o1 685940591 OZIQSLNJTKKATO-OAHLLOKOSA-N 343.431 2.704 0 50 EFAA CCC(C)(C)c1noc([C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 867173139 SDFKHIFNORUPOT-KGLIPLIRSA-N 333.432 2.666 0 50 EFAA Cc1cncc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)c1 1875279829 GYLFMYLMRLAQKZ-UHFFFAOYSA-N 337.348 2.975 0 50 EFAA CC1=C(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)CCC(C)(C)C1 952888708 LUQBLHYWZVELGN-HUUCEWRRSA-N 332.448 2.662 0 50 EFAA Cc1c(C(=O)N[C@]23CCC[C@H]2OCC3)cnn1-c1ccc(F)cc1 872270306 ILDWGCCDMWMUDJ-AEFFLSMTSA-N 329.375 2.761 0 50 EFAA CC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(c2ncnn2C)CC1 952993762 LYAIGTKMBPTYDN-MRXNPFEDSA-N 348.491 2.622 0 50 EFAA CCOC(=O)c1oc(N(C)Cc2cccnc2)nc1C(F)(F)F 952995278 HAVDXGLUQJAFJA-UHFFFAOYSA-N 329.278 2.902 0 50 EFAA O=C([C@H](O)Cc1ccccc1)N1CCC[C@H]([C@H](O)c2ccccc2)C1 1875298063 NLQLYKMKIKPGOA-XUVXKRRUSA-N 339.435 2.562 0 50 EFAA O=C1NCc2nccc(N3CCC(c4c[nH]c5ncccc45)CC3)c21 1875310389 OKPBPUSIFJTIBA-UHFFFAOYSA-N 333.395 2.585 0 50 EFAA O=C(Nc1ccc(CN=c2[nH]c(Cl)nc3[nH]ccc23)cc1)C1CC1 1875357246 YHBJGZGKAGDYCK-UHFFFAOYSA-N 341.802 2.994 0 50 EFAA CN1CCN(c2cc(OC[C@H]3C[C@@]34CCOC4)ccc2Cl)CC1 1875392112 PKTUDFXYFYRGQV-RDTXWAMCSA-N 336.863 2.897 0 50 EFAA COc1cccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)c1F 886052286 WGMHOQYJAPNPHI-OCCSQVGLSA-N 348.340 2.866 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3ccnn3C)C2)c(C)c1 892461869 KRXRREBAEJUEBO-SFHVURJKSA-N 342.443 2.628 0 50 EFAA c1nc(N2CCC[C@H](c3nc4c(s3)CCC4)C2)c2c[nH]nc2n1 895674487 PPUUFDDHDUNBRN-JTQLQIEISA-N 326.429 2.682 0 50 EFAA C[C@H]1CCCN(CCNC(=O)Cc2nc(C(F)(F)F)cs2)C1 1361918426 MNSWHLZFDXEWDZ-JTQLQIEISA-N 335.395 2.553 0 50 EFAA Cn1c([C@@H]2CCCN2Cc2nc(C3CC3)no2)nc2c1CCCC2 276008757 QAOPDENJXJDQLN-HNNXBMFYSA-N 327.432 2.896 0 50 EFAA CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN)nc2C)C1(C)C 170591323 DITGWJQWXLIYTP-DLBZAZTESA-N 333.476 2.905 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cnns1 170605676 RCNYPPZOPVGWIR-UHFFFAOYSA-N 331.319 2.708 0 50 EFAA CN1C[C@@H](C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1=O 188984632 APSORABFARTQSN-PKOBYXMFSA-N 334.419 2.935 0 50 EFAA CC[C@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1ccncc1 189248004 LMQPBBJKSJKRMN-JKSUJKDBSA-N 345.472 2.766 0 50 EFAA Cc1csc2c(N3CCC[C@H]3CC(=O)c3cnn(C)c3)ncnc12 189989680 KBRHBKXLUUDHKQ-ZDUSSCGKSA-N 341.440 2.975 0 50 EFAA c1ccc(N2CCCN(CC3CCC4(CC3)OCCO4)CC2)nc1 190338797 IJGANEZRTQLRDC-UHFFFAOYSA-N 331.460 2.527 0 50 EFAA CC(C)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1nnnn1C1CC1 190840982 FBTXQXPZWLCOKN-CHWSQXEVSA-N 342.447 2.809 0 50 EFAA CC[C@H](C(=O)O)N1CCO[C@H](c2cccc(Br)c2)C1 191413424 OIIASGJRKACORN-OLZOCXBDSA-N 328.206 2.686 0 50 EFAA COc1ccc(Cc2noc([C@H]3CCn4ccnc4C3)n2)cc1OC 193185620 OPUZLRVFADAZJO-ZDUSSCGKSA-N 340.383 2.604 0 50 EFAA O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ncccc1F 194003980 LFYZKEZNGCOWHS-UHFFFAOYSA-N 342.374 2.665 0 50 EFAA Cc1c(-c2ccccc2)noc1NC(=O)CCN1CCCCC1=O 1506420206 YFRJVRDDQMBVGJ-UHFFFAOYSA-N 327.384 2.991 0 50 EFAA Cc1ccn2c(NC(=O)c3ccc4cccc(Cl)c4n3)nnc2n1 1529126351 FBYSPJGETPUDIZ-UHFFFAOYSA-N 338.758 2.887 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3cccc(Cl)c3)C[C@@H]2CC1=O 1529162139 XHMFWWUBPHKTLV-IJEWVQPXSA-N 334.847 2.598 0 50 EFAA CCc1cc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)on1 1704344534 SCGQKIWQZBJLPY-QRWLVFNGSA-N 337.423 2.821 0 50 EFAA Cc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1616093683 GMLADRBKBHGHAF-AAEUAGOBSA-N 326.318 2.564 0 50 EFAA COc1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)c2ccccc12 1857668953 LHCAUFBDOLTQKN-OXJNMPFZSA-N 327.424 2.679 0 50 EFAA CN1CC[C@H](n2ccnc2-c2ccccc2OCCn2ccnc2)C1 1857728513 DZLLDHLZSLKCCH-INIZCTEOSA-N 337.427 2.702 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2ccc3ccccc3c2)CC[C@H]1O 1857738815 ZOBDTUMLMMCPGV-QUCCMNQESA-N 327.424 2.825 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2cn(C(C)(C)C)nc2C)n[nH]1 407980581 MRHDJWGFKPBXQR-CQSZACIVSA-N 330.436 2.740 0 50 EFAA COc1cccc(CNC2CCN(c3ccccn3)CC2)c1OC 237366151 ZVWFRVGVICZMDW-UHFFFAOYSA-N 327.428 2.857 0 50 EFAA C[C@@]1(C(=O)Nc2cccc(OCC(=O)O)c2)CCc2ccccc21 649245229 ZQSQRCDXZDAECA-LJQANCHMSA-N 325.364 2.993 0 50 EFAA Cc1nc(C)n(C2CN(C(=O)C(C)(C)Oc3cccc(Cl)c3)C2)n1 670397931 ZFVZGJYSZDMVIY-UHFFFAOYSA-N 348.834 2.789 0 50 EFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 355552424 BAHDLIMZVZGTQH-ZACQAIPSSA-N 340.402 2.504 0 50 EFAA CCc1nc(CC(=O)N2CCC(c3nccc(C)n3)CC2)cs1 363809304 BEPCDNZHLJNRSB-UHFFFAOYSA-N 330.457 2.753 0 50 EFAA Cc1c(C)c(C)c(CNC(=O)N[C@H]2CCC(=O)N(C)C2)c(C)c1C 158727373 CQSSQKXLZMTLQV-INIZCTEOSA-N 331.460 2.649 0 50 EFAA Cc1cn2c(CNC(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)c(C)nc2s1 908448446 KPKMPMOFSUDFPY-IXPVHAAZSA-N 339.848 2.558 0 50 EFAA O=C(NCc1nc(C(F)(F)F)no1)Nc1cnc2c(c1)CCCC2 930767601 GTEFZNYBDNUQJW-UHFFFAOYSA-N 341.293 2.684 0 50 EFAA O=C(c1coc(C2CCC2)n1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1120749931 MOWOQVYDBUEGQN-QGZVFWFLSA-N 349.394 2.848 0 50 EFAA C[C@@H](NC(=O)Nc1ccnn1CC1CC1)[C@@H]1C[C@H](C(=O)O)C1(C)C 846798046 XPVNCCAERRWOMG-KGYLQXTDSA-N 334.420 2.550 0 50 EFAA Cc1cnc(CCN(C)C(=O)Cc2sc(S)nc2C)s1 125613205 KOTSGGXSYFCWRI-UHFFFAOYSA-N 327.500 2.749 0 50 EFAA C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1nccn1C 182612226 CXQQRBRHDTZEJV-VIFPVBQESA-N 338.205 2.762 0 50 EFAA COc1ccc(CCNC(=O)COc2cccc(C)c2)cc1OC 128609 GZCRMQITMXYQEZ-UHFFFAOYSA-N 329.396 2.750 0 50 EFAA O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 1068573 GDLCPBKSWGLXRT-DYVFJYSZSA-N 343.404 2.629 0 50 EFAA Cc1cc(Br)cn2c(CN[C@H](C)c3cc[nH]n3)cnc12 2325732851 WYJFFSIQSWSLPN-SNVBAGLBSA-N 334.221 2.979 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCc4ccnn4C3)cc2)c1C 2325780150 KTWMEMMRJFNOTB-OAHLLOKOSA-N 335.411 2.887 0 50 EFAA CC(C)Cc1n[nH]c(=NC(=O)c2cc(-c3ccccn3)ns2)s1 2325796529 WMEZRPOSEXXLHG-UHFFFAOYSA-N 345.453 2.929 0 50 EFAA C[C@H](COC1CCCC1)CS(=O)(=O)Nc1ccc2c[nH]nc2c1 2325801496 LGKTXGYNFNPZQA-GFCCVEGCSA-N 337.445 2.900 0 50 EFAA COc1ccc(CC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1F 2356138785 QHENRXIUSRCFBN-LJQANCHMSA-N 343.402 2.607 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 2866468 OZAZERQHZDQLSD-UHFFFAOYSA-N 335.381 2.576 0 50 EFAA CC(C)CSc1nnc(NC(=O)[C@H]2CCn3nccc3C2)s1 2356167018 RLDXREHEBSAZDB-JTQLQIEISA-N 337.474 2.684 0 50 EFAA Cc1nc(N[C@H](CO)Cc2ccc(Cl)cc2)c2nc(C)oc2n1 55271171 LPMCPBLXVXHROL-ZDUSSCGKSA-N 332.791 2.904 0 50 EFAA CCc1c(C)[nH]c2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1=O 9136621 OIYSKYPHMOLSON-UHFFFAOYSA-N 327.384 2.886 0 50 EFAA O=C1O[C@@H](C(=O)NCCc2ccccc2)Cc2ccc(Cl)cc21 9668253 NNHZSPYGYBTKGH-MRXNPFEDSA-N 329.783 2.780 0 50 EFAA COc1ccc([C@@H]2CCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)cc1 247482271 FUKZIACVNASDPQ-HIFRSBDPSA-N 342.361 2.648 0 50 EFAA Cc1[nH]c2nc(Cc3ccccc3)nn2c(=O)c1Cc1ccccc1 100309519 GOFZMZXEUFQNNF-UHFFFAOYSA-N 330.391 2.908 0 50 EFAA CN(C)C(=O)c1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1 248023406 RVLYOPFXUCFQSA-RDJZCZTQSA-N 343.471 2.839 0 50 EFAA CC(=O)N1CCC(N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 110704660 IIEFULJFXVXEPX-MSOLQXFVSA-N 335.879 2.686 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccc2F)C1)c1cc(Cl)no1 67965933 UIACIIZLKZXWNT-NSHDSACASA-N 337.782 2.719 0 50 EFAA CO[C@H]1C[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)N(C)C1 346830503 OQIZHHDWXPCREG-HOCLYGCPSA-N 327.384 2.532 0 50 EFAA CC(C)c1cc(C(=O)NCCc2nccc(-c3ccccc3)n2)n(C)n1 65492299 CJBWVTFOAGCSIW-UHFFFAOYSA-N 349.438 2.973 0 50 EFAA C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)N1CCCC[C@@H]1C 117803955 PQQYYKVZVKZQIL-JYJNAYRXSA-N 344.455 2.849 0 50 EFAA CN(c1ccc(C(=O)Nc2ccccc2)c(Cl)c1)S(C)(=O)=O 67602231 SVBMSANNWMEWBX-UHFFFAOYSA-N 338.816 2.988 0 50 EFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2c1ccn2C 67640888 MVQGBHZKICIFPI-QGZVFWFLSA-N 336.391 2.692 0 50 EFAA COc1cccc(-c2ccc(CNC(=O)C3(C(=O)O)CC3)cc2)c1 119002328 LANPWDAEPDEQNC-UHFFFAOYSA-N 325.364 2.843 0 50 EFAA Cc1cc(NCC(C)(C)CN2CCCC2)nc(-c2ccccn2)n1 357941370 IPNODYSEXAAZGP-UHFFFAOYSA-N 325.460 3.381 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C)cc1 125690046 RMFQJDIXSOZODC-GOSISDBHSA-N 336.391 2.511 0 50 EFAA O=c1ccc(-c2ccccc2)nn1CN1CCO[C@H]2CCCC[C@H]21 230259584 KQRAOLUMKOWJNT-MSOLQXFVSA-N 325.412 2.511 0 50 EFAA CC(=O)NC[C@@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1 67688600 JFNJONKLVXZUMQ-INIZCTEOSA-N 328.460 2.965 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOc2cc(F)ccc21 173069725 MJFQRHVODMLZIB-LLVKDONJSA-N 331.391 2.780 0 50 EFAA CN1CC[C@@H](CNC(=O)c2ccncc2Cl)[C@@H]1c1cccnc1 328622808 IQWYXPCOHFEQGG-BBRMVZONSA-N 330.819 2.553 0 50 EFAA CN(C)c1nc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)ns1 328637767 OUDGCROWFZKSIH-CQSZACIVSA-N 346.504 2.554 0 50 EFAA Cc1ccc(N2CCCN(c3nc4ccccc4cc3CO)CC2)nn1 253432001 ILTWLRTVCQHITI-UHFFFAOYSA-N 349.438 2.542 0 50 EFAA CCc1nnc(S)n1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 153475850 KBEVQJUYAFUZKG-BFHYXJOUSA-N 336.505 2.852 0 50 EFAA O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)Nc1cccnn1 151823138 LTSYHNSBMSJGBX-GFCCVEGCSA-N 331.351 2.851 0 50 EFAA CC(C)Cc1noc(-c2ccc(N(C)CCc3cn[nH]c3)nc2)n1 72411138 VKFYRKBHYWLRGL-UHFFFAOYSA-N 326.404 2.732 0 50 EFAA CSc1nc2ncc3c(=O)n(-c4cc(C)ccc4C)ccc3n2n1 30875385 PAPOBMVWPFGZNM-UHFFFAOYSA-N 337.408 2.767 0 50 EFAA Cc1ccc(C)c(-n2ncc(C(=O)N3CC([C@H]4CCOC4)C3)c2C)c1 366226617 WRDHPDSKFMUZLA-INIZCTEOSA-N 339.439 2.906 0 50 EFAA O=C(c1cccc(Oc2cnccn2)c1)N1CCO[C@H](C2CC2)C1 372465275 PKODZDWCQMTTOX-INIZCTEOSA-N 325.368 2.520 0 50 EFAA Cn1c(N2CCC[C@@](O)(C(F)(F)F)CC2)nc2c(F)cccc21 376261967 KGQJIRYJRMEBLY-AWEZNQCLSA-N 331.313 2.996 0 50 EFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cccc2ccnn12 72151658 SKFJIJVPCYTMSW-QGZVFWFLSA-N 331.379 2.702 0 50 EFAA CCc1n[nH]c(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)c1C 77541203 PUZVZBBZAFRMFO-CQSZACIVSA-N 326.444 2.940 0 50 EFAA O=C(Cc1ccoc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 131603925 PGNYVAJDFJLUEM-UHFFFAOYSA-N 327.306 2.901 0 50 EFAA CN1CC2(CCN(C(=O)c3c(O)ccc4ccccc34)CC2)OC1=O 72463389 UVTOFKOZQXQBJR-UHFFFAOYSA-N 340.379 2.602 0 50 EFAA CC(C)c1csc([C@H]2CCCN(C[C@H]3CCS(=O)(=O)C3)C2)n1 241816034 SFAKFBYFUYCBPQ-KGLIPLIRSA-N 342.530 2.881 0 50 EFAA CCc1cnc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 246099686 MPNYKFKZVPTPHE-BPLDGKMQSA-N 335.473 2.805 0 50 EFAA Cc1nc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)s1 178996651 LZAAGVFOARXXOJ-UHFFFAOYSA-N 345.468 2.869 0 50 EFAA c1ccc(O[C@@H]2COCC[C@H]2Nc2ncnc3sccc23)nc1 222708616 LLSPXBNGTDQCRG-CHWSQXEVSA-N 328.397 2.735 0 50 EFAA O=c1c2ccccc2ncn1C[C@@H](O)CNc1cccc(Cl)c1 43190838 AMKXALWPCTUCCS-AWEZNQCLSA-N 329.787 2.523 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1Cc2cc(Cl)ccc2N1 222417026 NYIHMQXFTOPEIB-OAHLLOKOSA-N 330.819 2.547 0 50 EFAA CCCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2cncn2C)cc1 426489743 ZMHJVQMIWINPMX-ZDUSSCGKSA-N 338.415 2.580 0 50 EFAA c1cncc([C@@H]2CN(Cc3ccc(Cn4cccn4)cc3)CCO2)c1 97822901 KVRQJODGCRLQTN-FQEVSTJZSA-N 334.423 2.900 0 50 EFAA CSc1ncc(CNC(=O)c2cccc([C@H]3CCCNC3)c2)n1C 95387235 RADZHRHOCRAASJ-HNNXBMFYSA-N 344.484 2.539 0 50 EFAA CSC[C@@H]1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1 96153178 XOYZNQAXCTYWGD-CQSZACIVSA-N 347.484 2.740 0 50 EFAA CC(C)Cn1cc(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cn1 181151960 BNTPBRORNZMPTA-ZDUSSCGKSA-N 326.400 2.774 0 50 EFAA Cc1c(CN(C)C2CCSCC2)c(=O)n(-c2ccccc2)n1C 97745141 ROOMUKBMQDTAIL-UHFFFAOYSA-N 331.485 2.812 0 50 EFAA CCc1ncc(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cn1 95364355 XEFXIONVKKFMPK-LLVKDONJSA-N 345.399 2.556 0 50 EFAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1c1cccc3ccccc13)[C@@H]42 243932120 BTAOAUGNXLFOGI-UJAMBKFZSA-N 335.403 2.935 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CCC[C@@H](O)[C@H]2C)c2c1CCC2 295981639 ITKHVPHPZCMANM-RDTXWAMCSA-N 339.439 2.655 0 50 EFAA CN1CCN(C(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)CC1 253408850 LDNPSGOUTPLXPB-KRWDZBQOSA-N 331.847 2.895 0 50 EFAA c1ccc([C@H]2OCC[C@@H]2c2nnc(Cn3cc(C4CC4)nn3)o2)cc1 299752594 URHRIHXAZOTFES-WMLDXEAASA-N 337.383 2.832 0 50 EFAA CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCNCC2 299757550 JMWOXKYBSGOBGC-SJORKVTESA-N 342.464 2.869 0 50 EFAA CSc1ccc(-c2ccc(C(=O)N3CCOC[C@H]3CO)cc2)cc1 299790188 APFPJFVAOMYMBS-QGZVFWFLSA-N 343.448 2.909 0 50 EFAA Cc1nn(C)c(N2CCC2)c1NC(=O)c1cc(F)c(F)c(F)c1F 863947863 JTXQRUWFCWFCLB-UHFFFAOYSA-N 342.296 2.747 0 50 EFAA CCc1cc(C(=O)N[C@@H](CC(=O)O)c2cccc(Cl)c2)n(C)n1 872715765 SXFSPIMDBLTJFV-ZDUSSCGKSA-N 335.791 2.582 0 50 EFAA Cc1cc(F)ccc1C(=O)N[C@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1875330293 WMQRDGNPXNKJDL-FOLVSLTJSA-N 340.402 2.569 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(C)c3)C2)C1 1875358238 OGRJVZIKBCWHSV-HKUYNNGSSA-N 344.503 2.699 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c(=O)c3)cc2)c1C 1875355812 AQBNOXCYCNQESK-UHFFFAOYSA-N 336.395 2.749 0 50 EFAA CCC(CC)C(=O)N[C@@]1(C(=O)O)CCCN(Cc2ccccc2)C1 952847259 LRDDRJPQCHJYJB-IBGZPJMESA-N 332.444 2.658 0 50 EFAA Cc1onc(-c2cccnc2)c1C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 952883844 RXNTYPHGXIRLMG-BBRMVZONSA-N 347.378 2.737 0 50 EFAA CCc1ccccc1C(=O)N1CCCN(C(=O)c2cc[nH]c2C)CC1 940673386 ITGQNVTYJJEDGM-UHFFFAOYSA-N 339.439 2.874 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2CNCCOc2ccccc2Cl)cn1 886074662 LXXPAQIVXJKPMW-DYVFJYSZSA-N 335.835 2.820 0 50 EFAA COc1ccc([C@H](NC(=O)c2cnn3c2OCCC3)C2CCC2)cc1 885405689 YPAMIKSJRFSVDK-QGZVFWFLSA-N 341.411 2.945 0 50 EFAA C[C@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1nnc2ccccn12 891657576 KOMYAPRPMKRFDP-NSHDSACASA-N 342.403 2.575 0 50 EFAA C[C@H]1OCCO[C@H]1C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 1775987924 HHRMXHQHVIRKLT-GPMSIDNRSA-N 340.423 2.975 0 50 EFAA COCc1cc(NC(=O)[C@H]2OCCc3ccccc32)sc1C(=O)O 1775990823 HQKMNSBFZMQYAL-AWEZNQCLSA-N 347.392 2.845 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C)n(C3CC3)c2C)C1 1775958041 ZBABZPYKROFIBC-GOEBONIOSA-N 344.415 2.733 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1nn(C)cc1OC 1363695163 WYBJXZFETJSCAO-KGLIPLIRSA-N 331.416 2.772 0 50 EFAA CN(C)C(=O)c1cnc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(Cl)c1 273277836 IPMBQNITPYVPQE-OCCSQVGLSA-N 339.867 2.670 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)c1cccs1 275430630 UVWXVWKLBPRYRS-SCRDCRAPSA-N 334.445 2.762 0 50 EFAA c1ccc(N2CC[C@@H](CNc3ccc4nnc(C5CC5)n4n3)C2)cc1 301165442 RHVISIZWVVLFBN-AWEZNQCLSA-N 334.427 2.940 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccnc2ccccc12 170592640 QJCBATOFEOEYHY-SFHVURJKSA-N 331.375 2.898 0 50 EFAA C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1ccccc1 170599275 TUKNNWITVKTURZ-HOCLYGCPSA-N 327.380 2.884 0 50 EFAA COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(F)c3)C2)c1 170620202 RQYVFLZPMZTLJQ-KRWDZBQOSA-N 348.399 2.945 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)n(-c2ccccn2)n1 171306199 ZXDLATXAKLIESE-MRXNPFEDSA-N 347.378 2.707 0 50 EFAA COc1ncnc(OC)c1C(=O)N1CCC(Cc2ccccc2)CC1 171662300 JPBHALAPRZMYGP-UHFFFAOYSA-N 341.411 2.589 0 50 EFAA Cc1cc2nnc(S[C@@H]3CCc4ccccc4NC3=O)n2c(C)n1 187884279 KWYKEVMBOGRNTI-CQSZACIVSA-N 339.424 2.787 0 50 EFAA COc1cncc(N2CCN(C(=O)c3cnc4ccccc4c3)CC2)c1 636272137 BFDRFEHJBFPWBT-UHFFFAOYSA-N 348.406 2.601 0 50 EFAA COc1ccc(-c2nnc(N3CC=C(c4ccnn4C)CC3)o2)cc1 641591926 XUWNOWLMPZTMJP-UHFFFAOYSA-N 337.383 2.772 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnc(C(C)C)s2)C1 190068733 KNJWFDASVPKCDF-GHMZBOCLSA-N 336.417 2.560 0 50 EFAA Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccc1O 679408709 GSGWTDGTFGHTJT-UHFFFAOYSA-N 344.455 2.955 0 50 EFAA O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ncc(F)cc1F 192159911 QVJUXXXGCDOYBY-SNVBAGLBSA-N 339.292 2.647 0 50 EFAA C/C(=C\C(=O)N1CCCC[C@@H]1c1n[nH]cc1C(N)=O)c1ccccc1 685941472 CKUKDGOSOGQVBD-SICOMBFOSA-N 338.411 2.666 0 50 EFAA C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2cccnc2)C1=O 193713834 AFKBYRHFXOZVTJ-MRXNPFEDSA-N 333.750 2.841 0 50 EFAA Cc1cc(=O)c(C(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)c[nH]1 1506412944 GHPQPAVBDXVLJI-CYBMUJFWSA-N 345.830 2.593 0 50 EFAA Cc1ccc(C2(C(=O)N(CCN(C)C)Cc3[nH]cnc3C)CC2)cc1 1704327905 JMZBYBYEJVBEHW-UHFFFAOYSA-N 340.471 2.649 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1ccccc1Cl 1704305412 VPHNJUBVOMCNPH-UHFFFAOYSA-N 334.851 2.586 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CN1CCc2ccccc21 140466333 MEAJLDFTTPJDGW-QGZVFWFLSA-N 339.439 2.888 0 50 EFAA CCc1ccc(-c2cn3c(C(=O)N4CC[C@@H](O)C4)csc3n2)cc1 11663947 HWOJDIUEBBSJOG-CQSZACIVSA-N 341.436 2.832 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@@H]1CCCO1)C2 12027574 FUGCTOBPRKNGBN-QAPCUYQASA-N 338.407 2.656 0 50 EFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)c1ccccc1 12048215 NDBYEEFECAZNPH-INIZCTEOSA-N 331.375 2.877 0 50 EFAA COc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2C)cc1 13735615 LXWKTBLKAKMREM-UHFFFAOYSA-N 342.424 2.618 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1cnn(-c3ccccc3)c1)C2 19225850 IRAKVNUBHAJDDW-KRWDZBQOSA-N 335.407 2.974 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](CC2CCCCC2)C1 19774661 YFPVGLSVDLFPCU-OAHLLOKOSA-N 328.416 2.769 0 50 EFAA CCOc1c(Cl)cc(Cl)cc1CNCCN1CCOCC1 19872100 LIDPAXYOAAYBOX-UHFFFAOYSA-N 333.259 2.814 0 50 EFAA CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 4755937 XOFUSAHRVWWUII-UKTHLTGXSA-N 349.184 2.559 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 5521996 NJVXLKJLBYSFRO-UHFFFAOYSA-N 332.425 2.884 0 50 EFAA CCOc1cc(C(=O)NC[C@@H]2CCCO2)cc(OCC)c1OCC 2766170 VFWBMMLXTRBGIM-AWEZNQCLSA-N 337.416 2.792 0 50 EFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(F)c(F)c2)CC[C@H]1N 1857717198 NKCABSJVMKELRX-APHBMKBZSA-N 326.387 2.504 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@]23CC[C@H]1O3 1857727178 MNFQYECEINSTDQ-VPWBDBDCSA-N 341.377 2.646 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C)cc1Br 333405218 GJHMFLJJQJCWDZ-NSHDSACASA-N 349.232 2.814 0 50 EFAA COc1cc(CNC(=O)c2ccn(C3CCCC3)n2)ccc1C(=O)O 237328998 HJSPKMJWFFPIOD-UHFFFAOYSA-N 343.383 2.635 0 50 EFAA CCn1ncc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)n1 815814543 LSIKOXUOXIKDAR-CQSZACIVSA-N 325.372 2.807 0 50 EFAA Cc1nccc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1Cl 818145804 MNQLUZRBXWGXKM-KRWDZBQOSA-N 348.834 2.878 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](CCC(=O)O)Cc3ccccc32)c(O)n1 902823869 BQEXQZHCBULYTA-CYBMUJFWSA-N 340.379 2.780 0 50 EFAA Cc1cn2c(=O)cc(CN3CCCC[C@@H]3c3ccnn3C)nc2s1 930308053 VCIXYONFMWFEQS-OAHLLOKOSA-N 343.456 2.525 0 50 EFAA CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(O)n[nH]1 932283971 JIOIASHIRCEURU-SECBINFHSA-N 326.322 2.696 0 50 EFAA CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C(=O)O)CC1 1875275123 AWNMWBMRHYDFTM-MRXNPFEDSA-N 344.455 2.658 0 50 EFAA C[C@H](CO)[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 390834672 MTTMZISXRGYCKQ-CBBWQLFWSA-N 342.480 2.593 0 50 EFAA O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1ccccc1 104088 SSMZKHOWVNTDNL-MRXNPFEDSA-N 326.421 2.848 0 50 EFAA Cc1cc(C(=O)N2CC3(COc4ccccc4C3)C2)c2c(C)noc2n1 2100537450 NOBIJKKHHIZSRV-UHFFFAOYSA-N 349.390 2.917 0 50 EFAA CC(C)N(C)c1ccc(CN2C[C@H](CC(=O)O)OC3(CCC3)C2)cn1 2325787321 SMMXETPKXVVYFV-INIZCTEOSA-N 347.459 2.524 0 50 EFAA Cc1cc(C)n(-c2ccc(-c3cncc(N4CCC[C@H](N)C4)n3)cc2)n1 2325796790 MFCQYCJLRSKTKH-KRWDZBQOSA-N 348.454 2.874 0 50 EFAA O=C(Nc1nnc(-c2ccccc2)o1)[C@@H]1Cc2ccc(F)cc2O1 2325865928 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347.415 2.679 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1OC 114899218 XGLVQJPEPLSBSS-GFCCVEGCSA-N 330.388 2.838 0 50 EFAA FC(F)Oc1ccc([C@H]2CN(c3ncnc4n[nH]cc34)CCO2)cc1 345146394 HYAILBMUTUVERA-CYBMUJFWSA-N 347.325 2.532 0 50 EFAA CS[C@H]1CCCCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 134615226 QDPHXVFQBZTZLY-KGLIPLIRSA-N 347.484 2.578 0 50 EFAA Cc1ccc(F)c(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 247950931 YHIGMCFETRKILE-ZIAGYGMSSA-N 328.453 2.675 0 50 EFAA CC(C)(C)c1csc(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 61718936 KBJBRQBHLRGWTP-UHFFFAOYSA-N 346.456 2.515 0 50 EFAA CN1CC[C@@](C)(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)C1 72410460 XLSAVRCWCRCXIS-HXUWFJFHSA-N 332.488 2.804 0 50 EFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 67489701 HSLGVHVYQJIXAX-LBPRGKRZSA-N 347.440 2.825 0 50 EFAA O=C1CCC2(CCN1)CCN(C(=O)c1cc3ccccc3[nH]1)CC2 67473250 WYLYCAVZZGAJEX-UHFFFAOYSA-N 325.412 2.690 0 50 EFAA Cc1nc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)sc1C 357682677 FTJJQNMINZJVEF-OAHLLOKOSA-N 331.441 3.490 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2CCCc3ccccc32)sc1C(=O)O 320827541 NABLCGCFCKJJJV-CYBMUJFWSA-N 330.409 2.886 0 50 EFAA Cc1csc2c(N3CCC[C@H]3C[C@H](O)c3cnn(C)c3)ncnc12 253428916 FVQUEEQGFWAXIV-KBPBESRZSA-N 343.456 2.826 0 50 EFAA COCCN1CCC(NC(=O)c2ccc(F)c3ccccc23)CC1 253428792 FCBJCAQWDPHECX-UHFFFAOYSA-N 330.403 2.820 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@H]1C(F)(F)F 328593615 OFQHGAOZAYKMGG-NSHDSACASA-N 327.331 2.911 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(O)cc(O)c1 152907169 VXEDSOIMFQDNNH-CYBMUJFWSA-N 332.787 2.760 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNc2cc(C)nc3ccnn23)n1 72418269 OJAIGWMDLMSNTG-UHFFFAOYSA-N 336.321 2.810 0 50 EFAA OC[C@H]1CC(F)(F)CN1Cc1nc2ccc(Br)cc2[nH]1 364609451 YLRNWHOWXGBQBZ-SECBINFHSA-N 346.175 2.527 0 50 EFAA CC(C)(CNCCCCN1CCCCCC1)CN1CCOCC1 32534795 IYAKETNOCMPVEP-UHFFFAOYSA-N 325.541 2.591 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)cc1 77287984 LPQAJJMJAZLXOA-MRXNPFEDSA-N 342.443 2.672 0 50 EFAA Cn1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(-c2ccccn2)n1 371160937 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342.439 2.570 0 50 EFAA COc1ccc(CNC2CCN(c3cccnn3)CC2)c(OC)c1C 1857735606 GTSZIDWATKFCMK-UHFFFAOYSA-N 342.443 2.561 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)ccn1C 1875241423 WNDUDIKMSPWHOD-IRXDYDNUSA-N 348.830 2.562 0 50 EFAA Cc1cccc(N2CCN(C(=O)Nc3cnn(CC(F)F)c3)CC2)c1 121849940 JRCFDHKJSFXEPN-UHFFFAOYSA-N 349.385 2.811 0 50 EFAA Cc1ccc(F)c(C(=O)N(Cc2cncnc2)[C@@H]2CCCNCC2)c1 435405450 NOMYVIGWHAHGSC-MRXNPFEDSA-N 342.418 2.709 0 50 EFAA Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 129059420 QJUJMDOEWJHRBN-UHFFFAOYSA-N 349.334 2.562 0 50 EFAA CN(C)c1c(Cl)cccc1NC(=O)c1nnc2ccccc2n1 343079372 HPSJNXLPDBFHIX-UHFFFAOYSA-N 327.775 2.997 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cncc(-c2cccc(C)c2)c1 344815362 SRAKLBLIKOGFMV-RBUKOAKNSA-N 340.423 2.933 0 50 EFAA CCCC1(O)CCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 360299643 RJMJVSBMLDCJLR-UHFFFAOYSA-N 328.416 2.547 0 50 EFAA O=C(Nc1cc(-c2ccccc2F)on1)N1CC[C@@H](n2cccn2)C1 361728153 JACOGMASRWSUSO-GFCCVEGCSA-N 341.346 3.156 0 50 EFAA 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OSTIMYPBSWMLKQ-UHFFFAOYSA-N 330.413 2.548 0 50 EFAA COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)c1 4833036 RBBMXRZZMCMESE-UHFFFAOYSA-N 331.324 2.663 0 50 EFAA COc1cc(CNc2nnnn2C)ccc1OCc1ccc(C)cc1 4998037 AQEDVLBFLPPBTG-UHFFFAOYSA-N 339.399 2.718 0 50 EFAA O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245660 XMKKDECRZYHSFL-OAHLLOKOSA-N 326.371 2.855 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225679941 BXBKNPZEGYTDAJ-KDOFPFPSSA-N 337.354 2.717 0 50 EFAA Cn1ccnc1C(=O)Nc1ccccc1C(=O)n1cnc2ccccc21 55131965 FWVDTLSTCKJIAK-UHFFFAOYSA-N 345.362 2.711 0 50 EFAA COc1ccc(N2C(=O)C[C@H](Sc3ccccc3N)C2=O)cc1 100396766 LQXBJLSOBJGDBR-HNNXBMFYSA-N 328.393 2.702 0 50 EFAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 101898708 GBVVZBXNFXCAPP-SKNMWMDOSA-N 325.364 2.897 0 50 EFAA C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 119429571 URJKCNCFLJERQK-DOMZBBRYSA-N 329.375 2.633 0 50 EFAA CC(C)c1nc2ccccc2n1CC(=O)N1[C@H]2CC[C@@H]1CCNC2 65530535 COYNCVGOWDESMQ-CABCVRRESA-N 326.444 2.513 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)Nc1cc(C2=CCCN(C)C2)nn1C 67640999 LFDBLBKNXIJYDM-AWEZNQCLSA-N 340.427 2.545 0 50 EFAA Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 65364217 IHERDMCJNVHAGD-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCn1c([C@H]2CCCN(c3nc4ccccc4cc3C)C2)n[nH]c1=O 67758347 QUYKZROWLXTPRO-HNNXBMFYSA-N 337.427 2.832 0 50 EFAA Cc1nc2c(c(N(C)Cc3cccnc3Cl)n1)CCN(C)CC2 65530084 ZXHNMAPDCIAWHE-UHFFFAOYSA-N 331.851 2.500 0 50 EFAA C[C@H]1SCCN(C(=O)CCCCNC(N)=O)[C@@H]1c1ccccc1 118378516 KCPHWEVCVXOONX-CJNGLKHVSA-N 335.473 2.530 0 50 EFAA CCNC(=O)NC1(C(=O)Nc2ccc3nc(S)oc3c2)CCCC1 121145891 AMMCGWCIKVZJMG-UHFFFAOYSA-N 348.428 2.687 0 50 EFAA Cc1nn2cc(CNC(=O)c3ccc([C@H]4CCCN4)s3)nc2s1 20601364 FFQKVSNOVUVZPD-LLVKDONJSA-N 347.469 2.515 0 50 EFAA Cc1nc(NC(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)n[nH]1 23478415 BKRZMAWHKYAEQE-HNNXBMFYSA-N 339.403 2.571 0 50 EFAA C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(nc3sccn32)s1 252475352 YXFUBXYYVNTUIG-QWRGUYRKSA-N 346.481 2.919 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1C(=O)O 442850316 PDNOZRVMIJSMBX-UHFFFAOYSA-N 347.348 2.940 0 50 EFAA CN(CC1CC1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328602205 ATNLEUMYFCBBLG-WMZOPIPTSA-N 343.402 2.957 0 50 EFAA C[C@@H](N)CC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 430758991 CAODDPVXYNREHT-CXAGYDPISA-N 340.402 2.770 0 50 EFAA C[C@@H](c1nnnn1C1CCCCC1)N1C[C@@H](N2CCCC2)C[C@H]1C 329206460 YEBDBACAYPOXIF-VYDXJSESSA-N 332.496 2.798 0 50 EFAA COCc1nc2n(n1)C[C@@H](N[C@@H]1CCCCc3ccccc31)CC2 124684556 VMJGYSRKBNAURE-DOTOQJQBSA-N 326.444 2.797 0 50 EFAA O=C(c1ccoc1C1(O)CCOCC1)N1CCc2cc(F)ccc2C1 253407652 HOZUDIJNKBFFHJ-UHFFFAOYSA-N 345.370 2.615 0 50 EFAA CC(C)[C@@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1 71763104 CHQKXLRAIILBBS-GOSISDBHSA-N 337.423 2.874 0 50 EFAA Cn1nccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 125769906 JFPRWBMFTBDZRN-ZDUSSCGKSA-N 338.770 2.818 0 50 EFAA CCO[C@@H](C)c1ncc(-c2nc(C3(OC)CCOCC3)no2)s1 331492854 AMPCRTSXUQPWAB-JTQLQIEISA-N 339.417 2.943 0 50 EFAA O=C(NCCCNC(=O)C1CCC1)Nc1ccc(Cl)cc1F 153421278 UPJZZNSZXFCFNW-UHFFFAOYSA-N 327.787 2.907 0 50 EFAA Cc1ccc(CCC(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)c(C)c1 331749258 YOZZVMQCKGVMRU-KDOFPFPSSA-N 343.427 2.916 0 50 EFAA O=C(NCc1ccc(CO)c(F)c1)[C@@H]1CCN(c2ccccc2F)C1 377757585 VOIBDQCYQFZEMC-CQSZACIVSA-N 346.377 2.600 0 50 EFAA Cc1ccc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nn1 334037831 NPKSSJNEWQBVIH-CYBMUJFWSA-N 346.456 2.753 0 50 EFAA CCc1oc(C(=O)NC[C@H]2CCOc3ccccc32)cc1C(=O)O 261721274 WUKYBXJDARNXDO-LLVKDONJSA-N 329.352 2.836 0 50 EFAA CC(C)(C)n1ncnc1CNC(=O)N1CCCC[C@H]1c1nccs1 283286279 WHEIHSYWRIKGJW-LBPRGKRZSA-N 348.476 2.926 0 50 EFAA C[C@]1(N)CCCC[C@@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 262912993 FXCMMXJPOXCMAR-XLIONFOSSA-N 338.455 2.665 0 50 EFAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(CN2CCCCCC2)c1 219586645 KAJUSDFYFLERLN-RTBURBONSA-N 346.471 2.596 0 50 EFAA Cc1noc(C)c1CSCC(=O)N1C[C@H](C)Oc2ncccc21 158564340 YTRGWDPWOGFRQH-JTQLQIEISA-N 333.413 2.734 0 50 EFAA COc1cccc(CCNC[C@H](O)COc2cccc(C)c2)c1OC 71767438 BAZMIGKELUORMU-KRWDZBQOSA-N 345.439 2.584 0 50 EFAA CCn1cnc2c(N3CCC[C@@H]3c3c(C)nn(C)c3C)ncnc21 241466125 NUZROSDGWKPLLN-CYBMUJFWSA-N 325.420 2.538 0 50 EFAA COc1cc(C)cc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1C 241439963 NNVXFUJEOZUECD-FZKQIMNGSA-N 334.416 2.724 0 50 EFAA Cc1cc(C(=O)OCCn2nc(-c3ccc(Cl)cc3)cc2N)[nH]n1 242302172 YQAQNVPAIYKIFE-UHFFFAOYSA-N 345.790 2.674 0 50 EFAA COc1cnc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2)s1 455388252 QCYPATJWVLULGD-SNVBAGLBSA-N 336.392 2.691 0 50 EFAA C[C@@H](C(=O)Nc1nccs1)N1Cc2cnn(-c3ccccc3)c2C1 339800216 PKPKZXKCKUEUBU-LBPRGKRZSA-N 339.424 2.672 0 50 EFAA CCn1c(CNC(=O)CCc2cc(Cl)no2)nc2ccccc21 221395317 KIEQEPQUBCWZSQ-UHFFFAOYSA-N 332.791 2.947 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)cc1 82148533 AETYPGDLEVDAFR-UHFFFAOYSA-N 340.398 2.942 0 50 EFAA CCCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 176997963 UVFZNYLMOGFJPM-INIZCTEOSA-N 331.416 2.750 0 50 EFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)n1 289034030 HFOQJFHIPOHZHG-MRXNPFEDSA-N 342.443 2.864 0 50 EFAA O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@H](C2CC2)C1 290978708 TWRTYIYXWFEXNK-RBUKOAKNSA-N 340.467 2.869 0 50 EFAA C[C@H](NC(=O)c1cccc(N(C)C)c1)c1nncn1C1CCCC1 220720784 NXAWSLGTBMDBHR-ZDUSSCGKSA-N 327.432 2.950 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccncc1C)CC2 426535650 QVFIKSMIKBKUIO-IMFGXOCKSA-N 344.455 2.969 0 50 EFAA COc1ccc(OCCCN)c(C(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)c1 426662006 KRULQKNVTPGGRQ-CVEARBPZSA-N 344.455 2.851 0 50 EFAA CCc1nccn1CCC(=O)N1CCC[C@](CO)(CC=C(C)C)C1 92045842 WIGISWCAKAPHLT-IBGZPJMESA-N 333.476 2.793 0 50 EFAA Cc1nc2ccccc2cc1C(=O)N1CCC(OCCCN)CC1 162224900 WXMQPIXHCOGSBA-UHFFFAOYSA-N 327.428 2.513 0 50 EFAA CCc1nnc(CN(C(=O)c2ccc(-n3ccnc3)cc2)C(C)C)o1 97696389 AVTBBOXDFAUYOK-UHFFFAOYSA-N 339.399 2.869 0 50 EFAA Cc1cccc2[nH]c([C@H]3CCCN(c4cc(C(N)=O)ccn4)C3)nc12 96133679 LYIDRCMUKKQKGU-AWEZNQCLSA-N 335.411 2.749 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c1 91756586 SIDPYTMNJAYFPM-ZWKOTPCHSA-N 339.391 2.944 0 50 EFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(=O)[nH]c2ccccc12 91563069 NTCKKRNKDOQQLC-HNNXBMFYSA-N 347.296 2.957 0 50 EFAA Cc1nn(C)cc1CN1C[C@H](C2CC2)[C@@H](NC(=O)CC2CCCC2)C1 91493645 XMLYBESCXDOQGL-MOPGFXCFSA-N 344.503 2.635 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 97675295 ZZDNWNVQKTZJBM-ZDUSSCGKSA-N 343.456 2.561 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)[C@@H]1COc2ccccc2C1 95522022 FGFSPSMZYHHDPL-AWEZNQCLSA-N 329.400 2.793 0 50 EFAA O=C(NCc1ccco1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244873390 WPPBTNWXHFGNDL-RVKKMQEKSA-N 342.395 2.526 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 244691904 JKZFXUDQVULCGI-RVKKMQEKSA-N 344.386 2.780 0 50 EFAA CC(C)c1nc(CCN[C@H]2CCCC[C@H]2S(C)(=O)=O)cs1 182762503 QIRNSSZQDOIJIH-UONOGXRCSA-N 330.519 2.754 0 50 EFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 299744968 QHPWJOMISUGGMS-XOKHGSTOSA-N 331.412 2.902 0 50 EFAA CC1CCN(CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 534589103 CWEMHKVNFVAPPO-SFHVURJKSA-N 331.460 2.581 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cccc(CN3CCCCCC3)c2)n[nH]1 299761604 WUDUQWPMOJNPMT-CQSZACIVSA-N 341.459 2.980 0 50 EFAA Cc1cc2c(cc1NC(=O)NC[C@H](C)Oc1cccnc1)OCCO2 299766596 FUEPMMPZOXMLFG-ZDUSSCGKSA-N 343.383 2.750 0 50 EFAA CC(=O)N[C@@H](c1nc(-c2ccco2)nn1-c1ccncc1)C(C)C 820575161 BWAXOSUVXYVAOC-OAHLLOKOSA-N 325.372 2.756 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 864091438 VOTFQCIHDABNGT-UHFFFAOYSA-N 349.456 2.573 0 50 EFAA NC[C@@H]1CCCC12CCN(C(=O)[C@@H](O)c1ccc(C3CC3)cc1)CC2 1875277967 QXWBTXLPXQAIRD-OALUTQOASA-N 342.483 2.965 0 50 EFAA CC1(c2nnc(-c3ccccc3F)o2)CN(CCOCC(F)F)C1 952891486 FCJBNYPDQCVVTE-UHFFFAOYSA-N 341.333 2.731 0 50 EFAA Oc1cccc([C@@H]2CCCN(C[C@@H]3CCc4nncn4C3)C2)c1F 1875307792 KKRFFCMVDFJDJO-UONOGXRCSA-N 330.407 2.565 0 50 EFAA CN1Cc2cc(CNC(=O)c3ccc4ccncc4c3)ccc2C1=O 1875358835 LGGSWQJVQYGQIL-UHFFFAOYSA-N 331.375 2.750 0 50 EFAA O=C(N[C@H](CO)Cc1ccc(F)cc1)c1snc2ccccc12 1875309402 OHHPZHBYKGBJLM-ZDUSSCGKSA-N 330.384 2.769 0 50 EFAA O=C(CCc1cccc(F)c1Cl)N[C@H](CO)Cc1ccccn1 1875329495 ZFCDZNWHTPARAI-AWEZNQCLSA-N 336.794 2.527 0 50 EFAA Nc1nc2c(c(C(=O)N3CC[C@@H]3c3ccc(F)cc3)n1)CCCC2 952968762 FSVJDDMHMOWUCB-OAHLLOKOSA-N 326.375 2.664 0 50 EFAA O=C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)[C@H]2CCCN12 888171992 CGTFDEVCVBPWEQ-INIZCTEOSA-N 341.436 2.528 0 50 EFAA CO[C@@H](CS(=O)(=O)Nc1c[nH]c2nccc-2c1C)C1CCCC1 1775986775 XEJGFKPUTBWVPL-HNNXBMFYSA-N 337.445 2.770 0 50 EFAA Cc1[nH]nc2ncnc(N3CCCN(Cc4ccc(F)cc4)CC3)c12 1775987076 UHKDKHGEOWFEKG-UHFFFAOYSA-N 340.406 2.513 0 50 EFAA O=C(O)[C@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@@H]1O 1529139261 NUFZZFWPKQFTTJ-QWRGUYRKSA-N 325.817 2.822 0 50 EFAA O=C(c1cccnc1O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565525246 OOZGRWHAMXOOAG-MJGOQNOKSA-N 348.402 2.931 0 50 EFAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC=C(F)C3)c2C)n1 272156484 WTEKMTFAPYSUQT-UHFFFAOYSA-N 343.406 2.524 0 50 EFAA COc1cccc(F)c1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 186132386 SVSIZNNZIUYVQG-INIZCTEOSA-N 343.358 2.539 0 50 EFAA CN(C)S(=O)(=O)c1ccccc1CNc1ncc(Cl)cc1F 301542030 NQYNWXCGHNQYRC-UHFFFAOYSA-N 343.811 2.737 0 50 EFAA COCCC(C)(C)C(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 412657311 NJLZHINYUCPDFC-IBGZPJMESA-N 331.412 2.686 0 50 EFAA Cc1ccccc1-c1nc(C(=O)Nc2[nH]c(=O)ncc2F)cs1 170088478 GFWHJKOTIMPVGY-UHFFFAOYSA-N 330.344 2.593 0 50 EFAA CO[C@]1(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCOC1 170089744 JMVRJGATRCLPLK-LJQANCHMSA-N 337.379 2.770 0 50 EFAA O=S(=O)(Cc1ccc(-n2ccnc2)cc1)c1ncccc1Cl 170617123 SSDKTBYFKDXEID-UHFFFAOYSA-N 333.800 2.895 0 50 EFAA C[C@H](C(=O)Nc1cccc(Cl)c1Br)n1cncn1 170610866 LRYFHHJOYZGSPF-SSDOTTSWSA-N 329.585 2.894 0 50 EFAA Cc1cc(C(=O)NC2CCN(C(=O)c3scnc3C)CC2)c(C)o1 171289740 ABOHIWBWIDCFKX-UHFFFAOYSA-N 347.440 2.696 0 50 EFAA C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 187748216 NTEJDCOVHSLUQD-YXJHDRRASA-N 340.423 2.926 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CCc4[nH]ncc4C3)c12 187968503 WSDILTWQJQEVAW-AWEZNQCLSA-N 338.411 2.506 0 50 EFAA CC(C)(C)[S@](=O)CCNC(=O)N1CCC(c2ccncc2)CC1 190440376 BYAAISMNSCLSKK-HSZRJFAPSA-N 337.489 2.518 0 50 EFAA O=C(O)c1coc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1 652386688 DTJHGFIROFSTNW-LLVKDONJSA-N 327.340 2.894 0 50 EFAA C[C@H](NC(=O)N1CCCN(c2nccs2)CC1)c1cscn1 661645146 GHIGYESDMLNAQR-NSHDSACASA-N 337.474 2.583 0 50 EFAA CCc1nccn1CCNS(=O)(=O)c1cc(C)c(F)cc1Cl 1413444707 WVJADFSTPWJDIO-UHFFFAOYSA-N 345.827 2.525 0 50 EFAA CN1N=C(C(=O)Nc2ccc(-c3cccc(F)c3F)cn2)CCC1=O 1506428354 YXNJHNIIZFYTQX-UHFFFAOYSA-N 344.321 2.574 0 50 EFAA C[C@@H](CCn1cccn1)N1CCCN(C(=O)Cc2cccs2)CC1 1775982693 XGTCWXGSEFGIFS-INIZCTEOSA-N 346.500 2.500 0 50 EFAA Cc1ccc(OCc2cc(C(=O)NCCCOC(C)C)no2)cn1 11936862 LVDKZIZUNHYIGU-UHFFFAOYSA-N 333.388 2.502 0 50 EFAA Cc1ccc(-c2cn3c(C(=O)N4CCC(O)CC4)csc3n2)cc1 12434041 FLDXNTITVANBBT-UHFFFAOYSA-N 341.436 2.968 0 50 EFAA Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1 15591419 HHIDHGOMXUGKLC-UHFFFAOYSA-N 332.425 2.611 0 50 EFAA Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 18188912 RLTHKSGARBYDSC-UHFFFAOYSA-N 325.393 2.962 0 50 EFAA biogenic,in-vitro Cc1nc(CCNC(=O)CCn2cnc3ccccc32)sc1C 151519295 LQWLDLQTBWWOQU-UHFFFAOYSA-N 328.441 2.859 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1onc2ncccc12 1857688525 OCZWZBLNYIYNEO-LBPRGKRZSA-N 340.358 2.618 0 50 EFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)C1CCC1 1857716365 IWIGEQPICBEYMG-YESZJQIVSA-N 334.847 2.771 0 50 EFAA Cc1nnsc1C(=O)NCc1cnc(OCC(C)C)c(Cl)c1 225558633 BMGXCBXLPNMJPY-UHFFFAOYSA-N 340.836 2.860 0 50 EFAA Cn1cc(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)nn1 331726021 NCORNWOBXOATQZ-ZDUSSCGKSA-N 349.232 2.631 0 50 EFAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c2ncccc12 331967971 KOVSVVWDKWZOJR-AWEZNQCLSA-N 331.803 2.581 0 50 EFAA CCOc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)ncn1 126338013 RJFDTYQHGRVVIM-OAHLLOKOSA-N 340.427 2.522 0 50 EFAA CNC1CCN(C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)CC1 237152417 JPUZEWUMNOPBOM-UHFFFAOYSA-N 346.862 2.967 0 50 EFAA Cc1cccc(Cl)c1C(=O)NCc1cccc(N2CCOCC2)n1 451015282 OALRYPXUGFDPAJ-UHFFFAOYSA-N 345.830 2.810 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCCC12CCOCC2 241946679 UNAOHDDOHUGXTM-SJORKVTESA-N 346.475 2.715 0 50 EFAA CCn1c(C(=O)N2CCO[C@]3(CCCOC3)C2)cc2ccccc21 358832095 AGEVDSSVYCLENX-LJQANCHMSA-N 328.412 2.683 0 50 EFAA COC(=O)C[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1cccc(Cl)c1 789804548 SZKPORCFUCYERJ-CQSZACIVSA-N 347.802 2.975 0 50 EFAA C[C@H](O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 265637694 VCOTWQNGVMJFIY-NSHDSACASA-N 333.819 2.963 0 50 EFAA CCn1c(NC(=O)c2cccn(CC(C)C)c2=O)nc2cccnc21 820447942 KOYJKSUBIBNVBH-UHFFFAOYSA-N 339.399 2.521 0 50 EFAA O=C(O)[C@H]1c2ccccc2OCCN1CCOc1ccc(F)cc1 903926794 HCZWBBONYGAUKF-QGZVFWFLSA-N 331.343 2.725 0 50 EFAA COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 44506 JVHMEZVZCPEPAC-INIZCTEOSA-N 330.384 2.809 0 50 EFAA CCc1nnc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)s1 106947 GMEXJRIFQKMJOE-GOSISDBHSA-N 337.404 2.954 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)Nc1cc(C)c(C)nc1O)C2 2100483983 WSIYKPCKPNDCRF-CYBMUJFWSA-N 328.368 2.602 0 50 EFAA Cc1cc(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)c(C)o1 2325735831 CALWKQHQAPJVNT-UHFFFAOYSA-N 343.788 2.727 0 50 EFAA O=C(c1nccn2ccnc12)N1CCC[C@@H]1c1cc(F)ccc1F 2325818526 HLGSVXHIVHTOLY-CQSZACIVSA-N 328.322 2.985 0 50 EFAA C[C@H](NC(=O)c1cnc2[nH]cncc1-2)c1nc2ccc(Cl)cc2[nH]1 2325872262 PGLZFZLZRNNIRK-QMMMGPOBSA-N 340.774 2.930 0 50 EFAA COC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 445231 GSDUQMUEANKRGV-VXGBXAGGSA-N 326.418 2.817 0 50 EFAA Cc1c(C(=O)N(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)[nH]c2ccc(F)cc12 2356143785 WUPXDJZGKOUVAF-SCRDCRAPSA-N 343.402 2.602 0 50 EFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(Cc2cccc3cccnc23)C1 2356153762 UGJIMDLVMMYMRD-OAQYLSRUSA-N 345.450 2.917 0 50 EFAA CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 2938966 PTDHLFBNCGPBPO-UHFFFAOYSA-N 336.365 2.674 0 50 EFAA Cc1cccc(CS(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 10544105 MQDBBNVZCOLONI-IRXDYDNUSA-N 338.517 2.782 0 50 EFAA CCc1nnc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1 246718993 NZANUBSPQSWNOV-OLZOCXBDSA-N 341.333 2.959 0 50 EFAA CCN(CC(=O)Nc1ccccc1OC)Cc1cnc([C@H](C)O)s1 225637150 NYKDSYHRGXOJSK-LBPRGKRZSA-N 349.456 2.666 0 50 EFAA CC(C)Cn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21 100461327 GNUHMRIJNMQXPS-UHFFFAOYSA-N 340.379 2.886 0 50 EFAA Cc1cccc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 101430171 SLOGRGBJKDQVOV-HZPDHXFCSA-N 326.396 2.665 0 50 EFAA O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccco3)c12 9482143 ICRWOVWRUWOHMG-UHFFFAOYSA-N 333.347 2.588 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)NCCCN2CCCC2)cc1C 55401157 RCZDVCGEKQTKSZ-UHFFFAOYSA-N 346.471 2.959 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N(Cc1ccccn1)C[C@@H]1CCCO1 55368843 ZANVYSJJAARIHO-INIZCTEOSA-N 340.379 2.632 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(Br)c[nH]1 249698968 WLENOLPKNMHSKO-ZIAGYGMSSA-N 340.265 2.866 0 50 EFAA CC(C)(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C(F)F 348461951 KWAXNJAMEWLFNX-HNNXBMFYSA-N 340.414 2.685 0 50 EFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(COC)o3)CC[C@H]21 72477424 MHGQWEBAUHBAGI-GOEBONIOSA-N 348.443 2.679 0 50 EFAA O=C([C@@H]1CCCO1)N1CCC(NCc2csc3c2CCCC3)CC1 67754374 HEWDQQODXSLWOK-KRWDZBQOSA-N 348.512 2.887 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(N3CCC([C@H](O)C(C)C)CC3)c12 67605401 MWTNCSCLLFVRJL-CYBMUJFWSA-N 349.456 2.931 0 50 EFAA CC(C)c1nc(CN2CCN(Cc3ccccc3CO)CC2)co1 215839288 JNTQWWUJEQNJOZ-UHFFFAOYSA-N 329.444 2.608 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1 20600057 DNNAZIJBKQYCAC-CQSZACIVSA-N 332.448 2.892 0 50 EFAA O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)N1CCCC1 20725407 FLYGEOPKYHQHAC-UHFFFAOYSA-N 343.402 2.594 0 50 EFAA CNC(=O)c1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)o1 67743792 WOPUDXKFFGCIIY-UHFFFAOYSA-N 325.368 2.667 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CC[C@@](O)(c2ccccc2)C1 65529248 FUGZLBUYDZVLEV-NRFANRHFSA-N 347.418 2.665 0 50 EFAA Cc1ccc(C)c(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)c1 430198537 RSQONTSYAKWCCF-UHFFFAOYSA-N 339.439 2.807 0 50 EFAA Cc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1C 65362430 GCNATHFKRPJYSJ-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCc1ccc(CN2CC[C@@H](CNC(=O)c3ncccc3C)C2)nc1 67843253 AFJQRRHTGUEYRI-KRWDZBQOSA-N 338.455 2.599 0 50 EFAA CC(C)CN1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1 67649296 CVQLRHINGBTEBE-UHFFFAOYSA-N 332.444 2.556 0 50 EFAA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC/C=C/c1ccccc1 328634048 MLLYEPCYQDQGDP-FYXZTFBWSA-N 328.435 2.636 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccccc2F)=NO1 6738406 FPQAGWXSYBTLHC-INIZCTEOSA-N 342.326 2.744 0 50 EFAA CC[C@H]1CN(Cc2cnn(CC)c2)CCC(=O)N1Cc1ccccc1 71439911 FSBOSBYWLLJGKC-IBGZPJMESA-N 340.471 2.916 0 50 EFAA CCn1c([C@@H]2COCCO2)nnc1N1CC2(CCC2)c2ccccc21 329612302 DOQXQCVYNOGJTR-INIZCTEOSA-N 340.427 2.959 0 50 EFAA Cc1ccccc1OC[C@@H](O)COc1cccc(N2CCCC2=O)c1 153689549 XATSPVIINHCUEW-KRWDZBQOSA-N 341.407 2.941 0 50 EFAA COc1cccc(NC(=O)c2cnn(CCN3CCCCC3)c2)c1 363412321 YAGSFSMOWCJOQD-UHFFFAOYSA-N 328.416 2.630 0 50 EFAA CC[C@H]1C(=O)NCCN1C(=O)Cc1coc2cc(C)c(Cl)cc12 215967110 VIHMQHBIEGGVAZ-AWEZNQCLSA-N 334.803 2.674 0 50 EFAA Cc1nc(CCC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)n[nH]1 77355111 VSEABNFGVOFIAZ-AWEZNQCLSA-N 346.406 2.502 0 50 EFAA Cc1cc(C(=O)CN2CCC[C@@H](c3nnc4ccccn34)C2)c(C)[nH]1 155808317 ZZQNHHHQZAWWMX-OAHLLOKOSA-N 337.427 2.737 0 50 EFAA COc1ccc2nc(CSc3nncn3-c3ccccc3)[nH]c2n1 242263354 XYIORLCVFCORGR-UHFFFAOYSA-N 338.396 2.840 0 50 EFAA Cc1nccn1-c1ccccc1CN[C@@H]1CCOC2(CCOCC2)C1 77539385 OQGUHUYBOLXODO-GOSISDBHSA-N 341.455 2.999 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 377965229 JTPCFHAAZRZZJR-LJQANCHMSA-N 325.412 2.565 0 50 EFAA Nc1cc2ccccc2cc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 238069960 MMYDKWOXBSRJAE-CQSZACIVSA-N 335.411 2.566 0 50 EFAA Cc1ncsc1CNc1ccc(C(=O)N2CCOCC2)c(F)c1 284364497 WZHVCXIQJVOANO-UHFFFAOYSA-N 335.404 2.675 0 50 EFAA O=C1CC2(CCN(c3cc(-c4ccccc4)nc4ccnn34)CC2)CN1 72166077 WNGSNGRLFUJDBF-UHFFFAOYSA-N 347.422 2.503 0 50 EFAA COc1ccc2[nH]nc(C(=O)N(C)C[C@H]3CCCN(C(C)C)C3)c2c1 77407415 UBDBSAFTUJCCDM-CQSZACIVSA-N 344.459 2.764 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CSc1ccncc1 221414750 ZFSCFNHJGWZAJJ-UHFFFAOYSA-N 330.388 2.848 0 50 EFAA CCOc1ncccc1C(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 82108013 UCKGIRFYZQEWIY-CYBMUJFWSA-N 330.388 2.964 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2ccn[nH]2)C1 229221463 ZHYNEJWYJYMVKD-RRFJBIMHSA-N 344.463 2.784 0 50 EFAA O=C1O[C@@H](C(=O)Nc2c[nH]nc2-c2ccccc2)Cc2ccccc21 178511401 FKHGITBSFDQXDY-MRXNPFEDSA-N 333.347 2.797 0 50 EFAA COc1ccc2c(c1)CCCCN2C(=O)c1ccnc2c1ncn2C 288252879 VLQNYYONFVENTR-UHFFFAOYSA-N 336.395 2.960 0 50 EFAA CCOC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](C)O)cc2)s1 426370313 DQNYXCQDUUTASZ-NSHDSACASA-N 333.409 2.702 0 50 EFAA Cc1cnccc1CC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289071658 JVUYMLBDOBFRJE-HNNXBMFYSA-N 327.432 2.928 0 50 EFAA CCCOc1ccccc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 223229801 WZRPDNPBGYVZDK-AEFFLSMTSA-N 333.428 2.789 0 50 EFAA Cc1nc(NCc2nncn2C2CCCCC2)cc(C2CC(O)C2)n1 223123229 MLGNMOJMJBYFSD-UHFFFAOYSA-N 342.447 2.732 0 50 EFAA CCc1c(C(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)ccn1C 290345049 DYNFKCPSUVUYAB-LBPRGKRZSA-N 338.415 2.567 0 50 EFAA Cc1ccsc1[C@H](CNC(=O)c1c(C)[nH]c(C(=O)O)c1C)N(C)C 426489474 CHPUHNTUYFDDNS-LBPRGKRZSA-N 349.456 2.732 0 50 EFAA COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)[nH]c(C(=O)O)c2C)c1 426442535 LEZMGMILBVVYQT-JTQLQIEISA-N 346.383 2.838 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)N(CCOC)Cc1ccccc1C 426548477 IHKDMTBUWAQVNH-GOSISDBHSA-N 333.476 2.637 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc(OC)c2OC)C1 91593728 HVJCYVIGHHBCRU-GOSISDBHSA-N 335.400 2.811 0 50 EFAA O=C(Cc1ccc(OC(F)(F)F)cc1)NC1(C(=O)O)CCCC1 238086677 YNCOCMVPLXLLBK-UHFFFAOYSA-N 331.290 2.641 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1c(F)cccc1OC)C2 95501694 PEXCRGUSCMDEEA-LBPRGKRZSA-N 345.370 2.824 0 50 EFAA CCc1cc(C(=O)N2CCc3ccc(OC)cc3[C@H]2C)cc(=O)[nH]1 97797773 WJMQNENSXPSGLT-GFCCVEGCSA-N 326.396 2.705 0 50 EFAA Cc1cc(C(F)(F)F)cc(N2CCC3(CC2)OCCC[C@@H]3O)n1 91665543 DBDROXQEGVXNMI-ZDUSSCGKSA-N 330.350 2.919 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 162779219 FDWVLLSMCXZYNW-IMJJTQAJSA-N 342.464 2.981 0 50 EFAA CC[C@@H](O)Cn1nc(-c2ccncc2)nc1COCc1ccccc1 96153677 NHUVFJIQGUZIFQ-QGZVFWFLSA-N 338.411 2.828 0 50 EFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(N2CCCCC2)cc1 244811487 SDQDRHCSLXELLJ-CQSZACIVSA-N 327.432 2.779 0 50 EFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc2nccnc2c1 244719103 LWZCODBJAKALAT-JTDSTZFVSA-N 333.391 2.872 0 50 EFAA N[C@H]1C[C@@H](c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)C1 244633136 FXJBEHQZYDUZAH-OKILXGFUSA-N 343.862 2.661 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccn(-c3ccccc3)n2)C[C@H]1C(F)(F)F 299740849 BQMBQNWYJIXDIO-ZIAGYGMSSA-N 339.317 2.567 0 50 EFAA CCc1cccc(OCCN2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c1 299746424 XGRFKSAZPYMBLI-ZIAGYGMSSA-N 331.334 2.823 0 50 EFAA Fc1cccc(OCc2nc(CNC3CC3)n(CC(F)(F)F)n2)c1 826620370 JCKZUIRVPHUVFS-UHFFFAOYSA-N 344.312 2.811 0 50 EFAA CCCCn1nc(CC(N)=O)nc1[C@@]1(c2ccc(F)cc2)CC1(C)C 822888721 HJYBXDFFCNKSGT-IBGZPJMESA-N 344.434 2.961 0 50 EFAA CC(=O)c1[nH]c2ccccc2c1C(=O)N(C)C[C@H]1CCCC[C@H]1O 1875278424 YOYDYONQLBZYTO-CZUORRHYSA-N 328.412 2.994 0 50 EFAA CC(C)(C)OC(=O)N1CCC(c2n[nH]c(CNC3CCCC3)n2)CC1 952877557 RJDIBTVUACPKAU-UHFFFAOYSA-N 349.479 2.951 0 50 EFAA C[S@](=O)(=NC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(N)cc1 1875281395 RXVBOYOCLVUQQF-OYHNWAKOSA-N 332.450 2.969 0 50 EFAA CN(CC(=O)OCc1ccccc1C(F)(F)F)c1cnccn1 1875254348 OHWRNADXOIZKNE-UHFFFAOYSA-N 325.290 2.675 0 50 EFAA CC[C@H](NC(=O)c1ccc2c(Br)cncc2c1)C(=O)O 1875339870 AZUBJYQLOIYLHO-LBPRGKRZSA-N 337.173 2.590 0 50 EFAA CC(=O)N1C[C@H](NCc2cnn(C(C)(C)C)c2)CC[C@H]1C(F)(F)F 886031030 APDLIIWKRFXPID-KGLIPLIRSA-N 346.397 2.670 0 50 EFAA Cc1cnc(C)c(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 896930717 BWCKWXFTBLMGPS-KSSFIOAISA-N 325.416 2.912 0 50 EFAA CCOC(=O)c1n[nH]cc1/C=C/c1nc2c(s1)CCC[C@@H]2C(=O)O 1776888085 AQZFJUYJAXQMQU-FGEFZZPRSA-N 347.396 2.718 0 50 EFAA CN(C)c1ccccc1-c1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]32)cc1 1565527813 QIJNISFHSKRUSM-XLIONFOSSA-N 335.451 2.854 0 50 EFAA O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1F 408513759 WMISORDTEIYQPH-DOMZBBRYSA-N 337.778 2.694 0 50 EFAA C[C@H](NC(=O)[C@H](O)c1ccccc1Cl)[C@H](O)c1ccc(F)cc1 305718775 NYYXRTCBOITVCY-CIISACIHSA-N 337.778 2.751 0 50 EFAA Cc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1-n1cnnn1 270521355 RMYDKONGROFBPY-INIZCTEOSA-N 349.394 2.727 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)N[C@H](CC(=O)O)c1cccs1 681556394 ADICFAXCSSPTIG-LLVKDONJSA-N 343.401 2.690 0 50 EFAA COc1nnc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)s1 276585646 VMXJIAPWHRQZBD-WPRPVWTQSA-N 340.430 2.602 0 50 EFAA Cn1cc([C@H](NC(=O)N2CCc3sccc3C2)C(F)(F)F)cn1 278224666 FCDYGROKIQIAIC-LBPRGKRZSA-N 344.362 2.853 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)c(F)c1 643893269 QIUZMQWZGWWXIV-MRXNPFEDSA-N 344.390 2.668 0 50 EFAA COc1ccccc1CC(=O)N1CCC(NC[C@H]2CCC=CO2)CC1 194355820 ZYXJMMNBTDKNPN-GOSISDBHSA-N 344.455 2.511 0 50 EFAA CC(C)[C@H](Nc1cncc(C(=O)N2CCCC2)n1)c1cccnc1 1529186144 ALZDBLPPXBTCDL-KRWDZBQOSA-N 325.416 2.917 0 50 EFAA COc1ccc(/C=C/CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1 1529098348 BBSAKUYOCTVSFJ-FWZQBEMLSA-N 344.455 2.579 0 50 EFAA CCCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 1529100083 NFPPQKKCHMGSPP-CQSZACIVSA-N 326.400 2.690 0 50 EFAA O=C(c1ccnc(NCc2nc(O)c3ccccc3n2)c1)N1CCCC1 1704302106 CMCYVLQFEUGBJX-UHFFFAOYSA-N 349.394 2.579 0 50 EFAA CCCCCC(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19228679 CSEWWLRIUIUQLO-NSHDSACASA-N 331.671 2.711 0 50 EFAA CCCCCCOc1ccccc1/C=c1/sc2ncnn2c1=O 2128833 CAYIDANCUWWAMC-RVDMUPIBSA-N 329.425 2.658 0 50 EFAA C[C@@H]1CCC[C@@H](C(=O)O)N1C(=O)CCSC(=O)c1ccccc1 478620 WBDJVKOBQMEZTP-OCCSQVGLSA-N 335.425 2.804 0 50 EFAA Cc1nsnc1C(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 1775977949 KUBRSJFDTGWMOZ-MRXNPFEDSA-N 345.468 2.692 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@@H](CCc2ccccc2F)C1 11879534 TWCMXPRHZCJSEU-HNNXBMFYSA-N 330.407 2.679 0 50 EFAA O=C1CN(C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)CCN1 12578401 OXGBRKJDNHOLGB-KRWDZBQOSA-N 342.826 2.820 0 50 EFAA CC(=O)Nc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 14898461 KVZMRWDVYQBMOZ-UHFFFAOYSA-N 337.383 2.796 0 50 EFAA COc1ccc(CCNc2cc(C)oc(=O)c2C(C)=O)cc1OC 16310481 MJJPGYQIYAQUAA-UHFFFAOYSA-N 331.368 2.823 0 50 EFAA CCNC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1cccc2ccccc12 19229289 XPEBYDPCTZQZCU-QUCCMNQESA-N 339.483 2.917 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1C 19790836 IACMEBPLMXVSSN-HXUWFJFHSA-N 340.467 2.865 0 50 EFAA COc1ccc(N2C(=O)C(Cl)=C(NCc3ccccc3)C2=O)cc1 4482654 CRXLIRUOIHBZAC-UHFFFAOYSA-N 342.782 2.809 0 50 EFAA COc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)ccn1 1857677626 KILHFDQBHPOWML-UHFFFAOYSA-N 348.406 2.721 0 50 EFAA CCc1ccccc1CN1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857710228 MWAHXGHLOCNDEM-NSHGMRRFSA-N 328.456 2.807 0 50 EFAA COc1cc2c(cc1-c1nccn1[C@@H]1CNCC[C@@H]1OC)CCC2 1857714371 RFLYYCCXRQZSSP-SJORKVTESA-N 327.428 2.597 0 50 EFAA Cc1cccn2ncc(-c3nccn3C[C@@H]3CC(=O)N(C4CC4)C3)c12 1857733625 RIEVJCWORVUKAS-AWEZNQCLSA-N 335.411 2.517 0 50 EFAA Cc1cc(N2CCCN(c3ccccc3Cl)CC2)n2ncnc2n1 408522980 FVOGXOREXWGIDI-UHFFFAOYSA-N 342.834 2.803 0 50 EFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](N)C[C@@H]1C 237608780 GSDZEHGTFQMXQY-GMXVVIOVSA-N 341.249 2.555 0 50 EFAA NC(=O)c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1F 115055732 ZQYNQFBEPJRTCU-INIZCTEOSA-N 328.343 2.567 0 50 EFAA C[C@](NC(=O)c1ccco1)(C(=O)O)c1cccc(Br)c1 736658082 ARJXLCBVFLVESP-CQSZACIVSA-N 338.157 2.772 0 50 EFAA O=C([C@@H]1CCc2nccn2C1)N1CCc2c(Cl)cc(F)cc2C1 650550317 VPJTXATZXMBYOV-LLVKDONJSA-N 333.794 2.823 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)CCc2ccc3ccccc3c2O)C1 450137954 WXFZZEHNEFHVRJ-INIZCTEOSA-N 340.423 2.605 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348240493 ICLKIYATBHRYOZ-NVXWUHKLSA-N 339.370 2.579 0 50 EFAA COc1ccc(NC(=O)CN2CCOC3(CCCC3)C2)cc1Cl 139681136 XBJOLIKXINNMCE-UHFFFAOYSA-N 338.835 2.932 0 50 EFAA Cn1nc(-c2ccco2)cc1NC(=O)NC1CCN(CC2CC2)CC1 252488899 JBITVLZSZJFCSC-UHFFFAOYSA-N 343.431 2.676 0 50 EFAA CO[C@H](C)c1noc(CN2CCC(c3ccccc3CO)CC2)n1 375571338 OLZDVEZFHMEYAA-CYBMUJFWSA-N 331.416 2.649 0 50 EFAA COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)[C@@H](C)CSC 161709923 XCFSSYKVURGUQG-ISVAXAHUSA-N 349.374 2.776 0 50 EFAA COc1ccc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(F)c1 1875274664 QGBFFZGEXDKWHP-UHFFFAOYSA-N 338.379 2.620 0 50 EFAA O=S(=O)(CCNc1ncc(F)c(-c2ccsc2)n1)CC1CC1 842031560 FTNDAZUQNRUBPQ-UHFFFAOYSA-N 341.433 2.581 0 50 EFAA O=C1C[C@H](C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CCN1 827212918 VRQXTRGBZFOIAG-OAHLLOKOSA-N 334.847 2.647 0 50 EFAA COc1ccc(-c2nc(CN[C@@H]3CCOC34CCOCC4)co2)cc1 934410326 QCSNCCNJGAMYKR-QGZVFWFLSA-N 344.411 2.778 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 82474 IWWKVDQDLGPZNC-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA O=C(CC[C@@H]1CCCOC1)N[C@@H](Cn1ccnc1)c1ccccc1 2325761461 MVBXDSRXFNYDGM-WMZOPIPTSA-N 327.428 2.947 0 50 EFAA FC(F)(F)[C@@H]1CC=CC[C@H]1Cn1ccnc1CN1CCOCC1 2325777505 HZCFSAMBTDPHNZ-UONOGXRCSA-N 329.366 2.860 0 50 EFAA O=C(N[C@H]1CCC[C@H]1c1nn[nH]n1)c1ccccc1SC(F)F 2325809024 WJAOBXRAYXQBSR-SCZZXKLOSA-N 339.371 2.581 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3csc(CCN)n3)cc2)c1C 2325824589 IDJGFLSSIVLADL-UHFFFAOYSA-N 341.440 2.699 0 50 EFAA CNC(=O)c1ccc(NC(=O)c2cn(C3CCCCC3)nn2)cc1C 2332239294 DTWDPBRMXNDKBD-UHFFFAOYSA-N 341.415 2.704 0 50 EFAA Cc1cccc([C@@H](C)CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 130068689 LHYYOQDLIALQOK-INIZCTEOSA-N 343.471 2.752 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 245344168 XXJYVPNZHYUGFW-COWMOVNHSA-N 344.430 2.835 0 50 EFAA Cc1nn(C)c2ncc(-c3nc([C@@H]4CCOC(C)(C)C4)no3)cc12 351169294 BUMGAZOOMQMGAT-LLVKDONJSA-N 327.388 2.999 0 50 EFAA COc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 984884 IRXNDNJDQATYQA-KPZWWZAWSA-N 343.379 2.662 0 50 EFAA COC(=O)N[C@H](OC(=O)c1ccccc1)C(Cl)(Cl)Cl 2141095 TZQZLVLUIMVNSN-SECBINFHSA-N 326.563 2.896 0 50 EFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cc3ccccc3o2)C1 2356146644 OLRVZFXSAAEJLB-FQEVSTJZSA-N 348.406 2.756 0 50 EFAA Cc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1 2890065 OSEINEYTWCCJKJ-ZDUSSCGKSA-N 342.376 2.512 0 50 EFAA COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c(OC)c1 2901170 HDQZUOAUZOWUCC-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA Cc1cc(NC(=O)NCCc2ccccn2)ncc1Br 133891096 ZOHXUGGYOKPRRV-UHFFFAOYSA-N 335.205 2.912 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)c1ccc(N2CCCCC2=O)cc1 225456357 GFKWCNFBEIYKIN-UHFFFAOYSA-N 335.367 2.727 0 50 EFAA C[C@H](CNC(=O)C(F)(F)C1(O)CCCCC1)CN1CCCCC1 225472525 PAFIFRWNYAQLDI-CQSZACIVSA-N 332.435 2.555 0 50 EFAA Cc1nnc(N2CCc3cccc(Cl)c3C2)n1C[C@H]1CCOC1 414591176 YJTZAUKWTPNPNY-CYBMUJFWSA-N 332.835 2.839 0 50 EFAA Cc1nc(NCCCSc2nnc(C)s2)c2nc(C)oc2n1 55393146 FUGKXUNOEQRXMK-UHFFFAOYSA-N 336.446 2.989 0 50 EFAA CNC(=O)C[C@H](C)N(C)C(=O)CSCc1ccccc1Cl 55326249 NQUBUMAUEAZAEM-NSHDSACASA-N 328.865 2.556 0 50 EFAA CCn1cncc1CNC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 55211796 UIWWIYNILJRDJA-ZDUSSCGKSA-N 348.406 2.721 0 50 EFAA CCc1cccc(OC2CN(C(=O)c3ccc(N(C)C)nc3)C2)c1 102538265 RNLOHGPVWTYWIL-UHFFFAOYSA-N 325.412 2.613 0 50 EFAA CCC1(NC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 67605488 SRCVQNDFHWLIPO-FQEVSTJZSA-N 330.472 2.505 0 50 EFAA O=C(NS(=O)(=O)C1CCCCC1)[C@@H]1CSc2ccccc21 118600200 QJQJUMBSLKEQQS-CYBMUJFWSA-N 325.455 2.655 0 50 EFAA CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 229104980 PACKKLCPOVHZIJ-HUUCEWRRSA-N 345.361 2.903 0 50 EFAA CCCc1nc(CN(C)Cc2cc3ccc(C)cc3[nH]c2=O)no1 67920309 BROODWDXIYLEIG-UHFFFAOYSA-N 326.400 2.804 0 50 EFAA Cc1cc2ccccc2n1CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 119840637 FPARYGMFLJJFIU-KRWDZBQOSA-N 347.418 2.956 0 50 EFAA Cc1nc(C)n(C[C@H](C)c2nc(C3CC3)nn2-c2ccncc2C)n1 65494337 XLJKZQFLEYHMFR-LBPRGKRZSA-N 337.431 2.860 0 50 EFAA c1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)cs2)cc1 144300278 IDYFNXILSJQFRC-UHFFFAOYSA-N 337.452 2.922 0 50 EFAA CCN(C(=O)c1cccc(OCc2c(C)noc2C)c1)[C@@H](C)CO 358821416 UCQIBFCJANRKFU-LBPRGKRZSA-N 332.400 2.713 0 50 EFAA COc1ccsc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328640927 XPQFBUMTLREKSJ-HOCLYGCPSA-N 345.468 2.917 0 50 EFAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNC/C=C/c2ccccc2)cn1 328625350 DAERLYQQZCIPSJ-JMICBVPHSA-N 328.435 2.636 0 50 EFAA COc1ccccc1-n1nc(-c2ccccc2)nc1CCNC(C)=O 63835048 YXEIYRFHZIPUPX-UHFFFAOYSA-N 336.395 2.622 0 50 EFAA CC1=C(C(=O)N(C)Cc2ccc(Cl)cc2Cl)[C@@H](C)NC(=O)N1 67740462 NICMTSKDKQTCKS-MRVPVSSYSA-N 342.226 2.927 0 50 EFAA Cc1ccc2snc(C(=O)N3CCOC[C@H]3[C@H]3CCCC3=O)c2c1 329035264 MSDMIBQEPRBMQE-OCCSQVGLSA-N 344.436 2.815 0 50 EFAA C/C(=C\c1ccccc1)CN1CCC(C(=O)NCCCN(C)C)CC1 5826237 HZAANXASRXLOFH-FBMGVBCBSA-N 343.515 2.870 0 50 EFAA CCc1nnc(C)cc1C(=O)N1CCN=C(O)[C@H]1c1cccs1 329776706 KDCPVKCBUXQFLZ-CQSZACIVSA-N 330.413 2.563 0 50 EFAA COc1cc(OC)cc(N(C)C(=O)c2cnc(OCC3CC3)cn2)c1 253416574 OPGBBECQXKIPAD-UHFFFAOYSA-N 343.383 2.559 0 50 EFAA CCc1ncc(CN(C)CC2(N3CCOCC3)CCCCC2)cn1 215238805 XQDFHKUQWZPUBH-UHFFFAOYSA-N 332.492 2.506 0 50 EFAA C[C@@H]1CCc2c(sc3ncnc(N4CCNC(=O)C[C@H]4C)c23)C1 257365272 KLUPVICSPXWHSO-GHMZBOCLSA-N 330.457 2.531 0 50 EFAA C[C@H](O)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)C1CCCCC1 330898942 VGQLVAQJXOQRGF-NSHDSACASA-N 340.493 2.805 0 50 EFAA Cc1cc(Br)cc2c1N(C(=O)CCn1ccnn1)CCC2 331787794 OPGJITPALKVGID-UHFFFAOYSA-N 349.232 2.719 0 50 EFAA COc1ccc(-c2ocnc2C(=O)N2CCC[C@H]3OCC[C@H]32)cc1 377504915 MSXAEGHIUXVHHK-HUUCEWRRSA-N 328.368 2.744 0 50 EFAA O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cnn2ncccc12 447703683 BQJLNLUWLIEXBZ-ZDUSSCGKSA-N 338.264 2.744 0 50 EFAA O=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1 72126731 OHFUKVYNEJWDRM-KRWDZBQOSA-N 329.356 2.929 0 50 EFAA Cn1cnc(-c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)n1 368601624 GMLSTJNODZFEPO-KRWDZBQOSA-N 333.395 2.854 0 50 EFAA CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ncco2)cc1 156972281 RBFXOEJKOBHAIE-HNNXBMFYSA-N 327.384 2.927 0 50 EFAA CN1C[C@@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)CC1=O 77516263 MCLFMYDLGVWSLQ-INIZCTEOSA-N 338.407 2.916 0 50 EFAA O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cs1 238194550 FCCKRONRKUMFBT-UHFFFAOYSA-N 337.422 2.800 0 50 EFAA O=C(CC(=O)N1CCC[C@@H]1CCc1ccccc1)NCC(F)(F)F 378539836 JFHSBXXHDLRYIN-CQSZACIVSA-N 342.361 2.679 0 50 EFAA Fc1ccc(-c2cc(N3CCN4CCC[C@@H]4C3)n3nccc3n2)cc1 72433147 HIRVFTKHERLOAP-MRXNPFEDSA-N 337.402 2.820 0 50 EFAA CCCc1noc(CCCC(=O)N2CCC([C@H]3CCOC3)CC2)n1 374973649 SEVNTZKCUNCWJO-HNNXBMFYSA-N 335.448 2.620 0 50 EFAA CC(C)CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72157996 YVQBHJFATNLXEC-UHFFFAOYSA-N 339.443 2.535 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 376947465 HXPCVOMPDOAESO-LJQANCHMSA-N 339.395 2.863 0 50 EFAA CN1CCC[C@@H](CNc2ncnc3ccsc23)[C@@H]1c1ccnn1C 284836534 KUNLMDYSHLMJOA-SWLSCSKDSA-N 342.472 2.920 0 50 EFAA CC(=O)Nc1ccc(CCNC(=O)[C@H](C)c2ncccc2F)cc1 240757014 HVWVZZJSTMEOQL-GFCCVEGCSA-N 329.375 2.642 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 263328811 PKFHJAMBCLWXKP-VYUIOLGVSA-N 346.210 2.644 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 426646945 AVWYDFBUSJWWGE-IXDOHACOSA-N 328.460 2.800 0 50 EFAA CC(C)c1noc([C@H]2CCCCN2C(=O)C(=O)c2cccnc2)n1 222872054 QDFXGNATXRMZCE-CYBMUJFWSA-N 328.372 2.525 0 50 EFAA O=C(C1CC1)N1CCC(C(=O)N2CCCC[C@H]2c2nccs2)CC1 95377893 NAAFSWYKQWWCJO-HNNXBMFYSA-N 347.484 2.845 0 50 EFAA CC(C)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)no1 179646889 CJJAKCFFWLVOSN-UHFFFAOYSA-N 328.416 2.587 0 50 EFAA Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)ccn1 91289494 CTKCVAKSYGIHRP-QGZVFWFLSA-N 343.471 2.968 0 50 EFAA CCCCOCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95381036 LOQHMIBZIPCXIN-RBUKOAKNSA-N 330.472 2.926 0 50 EFAA COC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC)c(NC(C)=O)c1 96166393 GKIVCVHUDBAZGK-TZMCWYRMSA-N 335.404 2.590 0 50 EFAA Cc1nccn1Cc1nnc(C2CCN(C3CCCCC3)CC2)n1C 91808154 ZPPHIEOCIJTXDT-UHFFFAOYSA-N 342.491 2.880 0 50 EFAA Cc1cc(C)n(CCCNC(=O)[C@@H](c2ccccc2C)N(C)C)n1 91624640 IZRXBDSWUWXRIR-GOSISDBHSA-N 328.460 2.618 0 50 EFAA COCC[C@]1(O)CCN(Cc2c(OC)ccc(F)c2F)C[C@H]1C 91951457 QRXASPJSZNTBPK-SJKOYZFVSA-N 329.387 2.583 0 50 EFAA CNC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 237097744 GJLVRNHNGYJIJB-UHFFFAOYSA-N 337.272 2.507 0 50 EFAA Cc1ccc(CCNC(=O)Nc2ccccc2CCC(=O)N(C)C)o1 97480129 MDGMLJXLSXAXHP-UHFFFAOYSA-N 343.427 2.973 0 50 EFAA CC(C)(C)NC(=O)CCN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95368626 REBIDEHVXVLHSN-INIZCTEOSA-N 332.444 2.869 0 50 EFAA COc1cncnc1NC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 297553946 ZWBPNJSQLZUVCH-ZDUSSCGKSA-N 348.790 2.824 0 50 EFAA Cc1[nH]nc2ncc(C(=O)N3CCSC[C@H]3c3nccs3)cc12 184161317 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CO[C@@H](C)c1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1 1529114262 NXAXFMWTKPCUJQ-VIFPVBQESA-N 345.380 2.913 0 50 EFAA C[C@H](C(=O)N1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 581813 AFDPSXZNLYZRCC-GFCCVEGCSA-N 344.864 2.507 0 50 EFAA c1cc(C[C@@H]2COC[C@H]2Nc2cc(N3CCCCC3)ncn2)ccn1 1704339949 RLBABIGPUJALQR-IAGOWNOFSA-N 339.443 2.532 0 50 EFAA COC(=O)CNC(=O)C[C@@H](c1ccccc1)c1ccc(OC)cc1 11816577 PDAOROKAXUSNDP-KRWDZBQOSA-N 327.380 2.506 0 50 EFAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2snnc2C)C1 11842760 UANKZDWFRYZJGU-GFCCVEGCSA-N 345.424 2.590 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1cccc(C)c1)CC2=O 13637193 KIOIHDGMELRSAK-CYBMUJFWSA-N 325.364 2.773 0 50 EFAA COCCCNC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2814512 POYZAVQXEUKDCO-UHFFFAOYSA-N 342.317 2.539 0 50 EFAA COc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1OC 3904820 HLBMHPXRVPUYOK-DJJJIMSYSA-N 342.395 2.969 0 50 EFAA Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1 4655874 JESOEJFSXJTZLI-UHFFFAOYSA-N 327.775 2.941 0 50 EFAA 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C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 252666557 BWRHBHJQJYHZRS-WSIUPNEHSA-N 328.456 2.581 0 50 EFAA CCc1c(C(=O)N2CC[C@@](C)(CN)C2)cnn1-c1ccccc1C 423609191 KQRVOHGLPHNRCP-IBGZPJMESA-N 326.444 2.554 0 50 EFAA O=C(NCc1noc(-c2ccco2)n1)c1cnn(Cc2ccccc2)c1 63251055 OZONHOQPMIZIHB-UHFFFAOYSA-N 349.350 2.504 0 50 EFAA Cn1nccc1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 253392833 YYIUXBLNSQYMAM-UHFFFAOYSA-N 326.278 2.563 0 50 EFAA O=C(Nc1ccc(CCN2CCCC2)cc1)[C@@H]1CCCC12OCCO2 253406127 WCRWJZLSPIUMPJ-SFHVURJKSA-N 344.455 2.807 0 50 EFAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)CCn1nnc2ccccc21 65397539 UQLFGRYRGFOYQZ-CYBMUJFWSA-N 338.415 2.936 0 50 EFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 363307888 WVMUDIXMJRUMFX-HOCLYGCPSA-N 329.419 2.829 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(C)c1F)CC2 121214163 CPSMLYOYYLEIBW-HUUCEWRRSA-N 336.407 2.918 0 50 EFAA COc1ccc(F)cc1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282451372 HHCULSICIWUTTJ-IRXDYDNUSA-N 347.361 2.850 0 50 EFAA O=C(Nc1ccccc1)c1cccc(CN2CC[C@H]3C(=O)NC[C@H]3C2)c1 368233005 VGJGTSRLPUYQBN-PKOBYXMFSA-N 349.434 2.507 0 50 EFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCOc2ccccc21 261748368 UMFDZNPVIMMUTJ-AEFFLSMTSA-N 337.375 2.763 0 50 EFAA COc1cc2c(cc1CN(C)Cc1snnc1C)OCCCO2 219164236 CBDNCSXTKAMCKD-UHFFFAOYSA-N 335.429 2.648 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCCN(Cc2ccc(F)cc2)CC1 72440827 RINPTIMLHXCPAO-UHFFFAOYSA-N 344.434 2.606 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnc3n2CCCC3)cc1 373897113 AUGCYTMSPOQAJP-JKSUJKDBSA-N 325.412 2.904 0 50 EFAA O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CC[C@@]2(CCOC2)C1 157986891 ITANHCCRTUWRCX-GOSISDBHSA-N 344.390 2.715 0 50 EFAA C[C@H](N)C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 493120809 RBBRNBHSXJKHBC-GFAPAMAISA-N 327.222 2.641 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)s1 331421642 DFXYOUMURPCFDK-GFCCVEGCSA-N 333.413 2.636 0 50 EFAA CCC[C@H]1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 173777795 RGFBSDIZRKYUDY-JKSUJKDBSA-N 347.484 2.635 0 50 EFAA CCC(CC)CN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)OC1=O 77438908 DTCXWZUWGBLYHI-UHFFFAOYSA-N 348.447 2.581 0 50 EFAA CC(C)(O)CCc1ccc(CN2CCN(c3cnccn3)CC2)cc1 72419220 HGWXGUGIYLVRTJ-UHFFFAOYSA-N 340.471 2.502 0 50 EFAA C[C@H](C1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1)N1CCCC1 72432040 ZIHVUZKOFVCQNL-CQSZACIVSA-N 334.435 2.797 0 50 EFAA CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)s1 36352842 SEKNUNGCWAMHLR-TZMCWYRMSA-N 344.440 2.820 0 50 EFAA CCCN1C[C@@H](Nc2cc(-c3ccccc3)nc3ccnn23)CC1=O 72134340 HOPQGYMZTDMHOK-HNNXBMFYSA-N 335.411 2.819 0 50 EFAA Cc1ccccc1-c1ccc(CN2CCN[C@H](C(=O)NC3CC3)C2)cc1 72154001 GDYCNEKCQADZPH-NRFANRHFSA-N 349.478 2.714 0 50 EFAA CCN(Cc1ccc(C(=O)N2CCC(CO)(OC)CC2)cc1)C(C)C 446976910 JYPKBCQQYUUYGR-UHFFFAOYSA-N 348.487 2.530 0 50 EFAA O=S(=O)(CCC1CCCC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 333891408 HAGLXDPLZBNHGU-DLBZAZTESA-N 329.506 2.770 0 50 EFAA CO[C@H]1C[C@H](NC2CCN(c3cc(C)nc(C)n3)CC2)C12CCC2 333827621 KXWLZRCIADVRMS-IRXDYDNUSA-N 330.476 2.609 0 50 EFAA CCC[C@H](C(=O)N1CCN(c2nc(C)cnc2C)CC1)n1cccc1 71762003 AZEIWBQCUWWWGJ-QGZVFWFLSA-N 341.459 2.585 0 50 EFAA Cc1cccc2[nH]cc(CC(=O)N(CCC(=O)O)C[C@H]3CCCO3)c12 237736100 XSTXGXVIPQSJKE-OAHLLOKOSA-N 344.411 2.501 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCCCc1c(C)noc1C)C2 84803988 OGEFPLPBNPUSFM-OAHLLOKOSA-N 344.411 2.600 0 50 EFAA Cc1nc(-c2ccc(C(=O)NC[C@]3(CCO)CCOC3)cc2)cs1 242324356 ZAOQMMBUYKBXJQ-SFHVURJKSA-N 346.452 2.637 0 50 EFAA Cc1ccsc1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 426649397 AOILNCOGCJEKSQ-HNNXBMFYSA-N 339.505 2.699 0 50 EFAA Cc1nn(C)c2sc(C(=O)N3C[C@@H](C(=O)O)c4ccccc43)cc12 177472946 GTMKBCRDVGWNKL-GFCCVEGCSA-N 341.392 2.772 0 50 EFAA COc1ccccc1N1CCN(C[C@H]2CCOC(C)(C)C2)CC1=O 426484426 JUBZXXYIFZYFRL-HNNXBMFYSA-N 332.444 2.549 0 50 EFAA Cc1c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2cc(O)ccc2n1C 95507562 ZGNSDSPRUPCJLS-ZDUSSCGKSA-N 338.411 2.935 0 50 EFAA CN(C)Cc1ccccc1CN(C)C(=O)CC[C@@H]1CCCCN1C 95375472 JPISPWQCPMTKCL-IBGZPJMESA-N 331.504 2.971 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)NC1CCN(c2cnccn2)CC1 91706932 JGSHHUIAGMNFSH-MRXNPFEDSA-N 336.439 2.682 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)c2ccc3c(c2)C[C@H](C)O3)no1 426573318 SXXBGRWGLKQSMH-LBPRGKRZSA-N 329.400 2.831 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1cccc(-c2ccc3c(c2)OCO3)c1 426368333 QYUBNUJSWXUKTO-INIZCTEOSA-N 325.364 2.991 0 50 EFAA O=C(N1CC[C@@](O)(c2ccccc2)C1)C1(c2ccc(F)cc2)CC1 91350656 CLTPKWPOUSMWQG-FQEVSTJZSA-N 325.383 2.977 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 237508456 JBAITMZLJRGNIL-MAUKXSAKSA-N 339.439 2.860 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cccc2nccnc12 244763800 OVWWPPLVLSRBBM-BXWFABGCSA-N 347.418 2.742 0 50 EFAA O=C(CSc1nnc(S)s1)N1CCc2c(F)cccc2C1 162819277 QITQAHXTCBGTET-UHFFFAOYSA-N 341.458 2.643 0 50 EFAA O=C(NCCC(=O)N1CCc2ccccc2CC1)c1ccc(F)cc1 523809092 PHMRTFIMQVWFBN-UHFFFAOYSA-N 340.398 2.573 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(=O)c2ccccc2o1 299744562 SWAYUEQPIZBEMA-BNOWGMLFSA-N 341.363 2.651 0 50 EFAA C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](CN)C1 299739174 LMPWBORQTBWHHC-WMZOPIPTSA-N 338.451 2.852 0 50 EFAA COc1cccc(C(=O)N[C@H](C)c2ccsc2)c1OCCCN 299792840 FXACJLWHQRFOHQ-GFCCVEGCSA-N 334.441 2.975 0 50 EFAA C[C@H]1CN(CCCNC(=O)Nc2ccc3ncccc3c2)C[C@@H](C)O1 299802551 ZGSCVKSFYQRHHP-GASCZTMLSA-N 342.443 2.856 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](c1ccccn1)C(F)(F)F 827984546 YCVKGZVHAKCTQW-HNNXBMFYSA-N 340.349 2.784 0 50 EFAA O=C(c1ccnc(NC[C@@H]2CCN(C3CC3)C2)c1)N1CCCCC1 584890278 NLPXDVTTYOZDNC-HNNXBMFYSA-N 328.460 2.604 0 50 EFAA CCOc1ccc([C@H](CC)NS(=O)(=O)c2c(C)n[nH]c2C)cc1 670473430 HJMHFYKEPWSMLB-HNNXBMFYSA-N 337.445 2.855 0 50 EFAA CC[C@H](NC(=O)c1ccc(Cn2cnnn2)cc1)c1cccs1 670453911 WEOJMNCMNWJWSP-AWEZNQCLSA-N 327.413 2.664 0 50 EFAA COc1ccc2nc(CNC(=O)c3cccc4c3CCC4=O)[nH]c2c1 670471427 ATONACOAATYMFH-UHFFFAOYSA-N 335.363 2.630 0 50 EFAA CCc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)c(C)n1 685943210 TWQKUWZQPGDPAQ-LIRRHRJNSA-N 340.427 2.838 0 50 EFAA O=C1Cc2cc(C(=O)NC[C@H]3CCC(F)(F)C3)c(Cl)cc2N1 1875264309 BZTZJTXMOBSVIQ-QMMMGPOBSA-N 328.746 3.000 0 50 EFAA O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ncccc1-n1ncc2ccccc21 1875271895 IVKGMILNFNUBJZ-HZPDHXFCSA-N 348.406 2.575 0 50 EFAA CN1CC[C@@H](c2nc(-c3ccncc3)nn2-c2ccccc2)CC1=O 1875347631 AJEKIFMZAJUSGI-OAHLLOKOSA-N 333.395 2.665 0 50 EFAA C[C@@H](NC(=O)/C=C/CN(C)C)[C@H](c1ccccc1Cl)n1cccn1 1875375892 RYNIFNKXJCUJIK-YYEYQNEESA-N 346.862 2.748 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)Nc1nc(C)n(-c2ccccc2)n1 1875319260 VHMXHRNKZSQIEM-UHFFFAOYSA-N 346.387 2.824 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)/C=C/c1cc(CO)cs1 952988809 KVPGDGUGKWSMKU-LQYUOIDQSA-N 329.421 2.716 0 50 EFAA CCN1C(=O)C[C@@H](CNC2CCC(OC)CC2)[C@@H]1c1cccnc1 886052893 SIJCMYLOUZVYDK-LOTPSLMQSA-N 331.460 2.538 0 50 EFAA C[C@H](NC(=O)NCc1c(C2CC2)cnn1C)[C@H]1COc2ccccc21 888101288 GPGXWUKMWXXNCK-BLLLJJGKSA-N 340.427 2.661 0 50 EFAA COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](n3cccn3)C2)c(OC)c1 1775993288 DDIYJAFWKLADNK-ZIAGYGMSSA-N 344.415 2.618 0 50 EFAA O=C(O)C(F)(F)[C@]1(O)CCCN(Cc2cc(Cl)cs2)CC1 1776004221 OZAYORNTQXGBNI-LBPRGKRZSA-N 339.791 2.838 0 50 EFAA COCCCN1C(=O)CC[C@@H]2CN(C3Cc4ccccc4C3)CC[C@@H]21 1565514023 YBAAGTKORGFODI-QUCCMNQESA-N 342.483 2.503 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3ccoc3C)C[C@@H]2N(C)C)cc1 1565516774 ZKAONISZESNOEU-MSOLQXFVSA-N 328.412 2.766 0 50 EFAA CCCc1c(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)[nH]c(C)c1C(C)=O 222128223 BTBQRFHXRJQNBE-CVEARBPZSA-N 331.460 2.835 0 50 EFAA CCc1cc(O)nc(CN2CC[C@@H](n3c(C)nc4c3CCCC4)C2)n1 275359285 VFWVDXJOERWPPS-OAHLLOKOSA-N 341.459 2.575 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)c2cc(C3CC3)[nH]c(=O)c2)o1 185845482 NHKGNFIVGUIPPM-HNNXBMFYSA-N 330.384 2.525 0 50 EFAA Cc1ccc(F)c(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)c1 170608169 HLRKAIXBVSCKPP-HNNXBMFYSA-N 343.402 2.738 0 50 EFAA C[C@H]1CN(C(=O)NCc2ccccc2OCC(F)(F)F)CCCO1 171316480 DLIBLOZRIJGUON-LBPRGKRZSA-N 346.349 2.948 0 50 EFAA FC(F)(F)c1ccccc1N1CC[C@@H](NCc2csnn2)C1 187690874 LTQVTSVKEQNVQT-SNVBAGLBSA-N 328.363 2.925 0 50 EFAA Cn1c(CNC[C@@H](O)COc2ccc(F)cc2)cc2ccccc21 638422593 DYDLZFCXFBOUSO-QGZVFWFLSA-N 328.387 2.847 0 50 EFAA CC(C)c1cccc2c1CCN(C(=O)NCc1ccc(C(N)=O)o1)C2 190958890 DGDDVTYICPFDOK-UHFFFAOYSA-N 341.411 2.770 0 50 EFAA COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)c(C)c1F 194794990 MWCCOZGIGFCOHS-UHFFFAOYSA-N 343.380 2.624 0 50 EFAA O=C(c1cccs1)N1CCC[C@@H](NC2CSCCSC2)C1 1506429637 VPGRHPXUMJWAGT-GFCCVEGCSA-N 342.555 2.791 0 50 EFAA O=C(O)c1cnc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cn1 1529109510 CBVKJJYURDVPJH-UHFFFAOYSA-N 341.346 2.574 0 50 EFAA COc1ccc(-c2ccc(C(=O)Nc3nnc4nc(C)ccn34)o2)cc1 1529100381 QYKBBEJOFSGMJP-UHFFFAOYSA-N 349.350 2.954 0 50 EFAA CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)s1 1529191460 ZCIXDZFKDRYQMW-RDTXWAMCSA-N 331.485 2.772 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1OC 452257 KWVIQEDOHHFCBW-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA O=C1NCCc2ccc(-n3ccnc3-c3ccc(-c4cc[nH]n4)o3)cc21 1772809242 PZWMPWBTUXMTJZ-UHFFFAOYSA-N 345.362 2.808 0 50 EFAA Cc1c(C(=O)NCc2cccnc2)nnn1-c1cccc(Cl)c1 12274805 CFSDKCHXOJWJHE-UHFFFAOYSA-N 327.775 2.554 0 50 EFAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 169751687 UACNDNMRXNGJQL-INIZCTEOSA-N 338.411 2.777 0 50 EFAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CN1CCCCC1)CC2 6471049 JVMCMUQRNSXOOK-CQSZACIVSA-N 332.444 2.635 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CCCCc2ccccc2)CC12CCOCC2 1857682044 GQVPQAQGJCOPSV-QGZVFWFLSA-N 345.439 2.739 0 50 EFAA Cc1ccc(CN(CCO)C(=O)c2ccc3sc(=N)[nH]c3c2)s1 1857725055 UHGRGBKJSWATGV-UHFFFAOYSA-N 347.465 2.713 0 50 EFAA Clc1ccc(CN2CCCN(c3ncnc4[nH]ncc34)CC2)cc1 301095912 VLLNSPUXMAAXRZ-UHFFFAOYSA-N 342.834 2.719 0 50 EFAA O=C(O)c1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)s1 237967517 PMLGRRDDXLRUPC-AWEZNQCLSA-N 345.420 2.920 0 50 EFAA CC(C)Cn1cc(C(=O)NC[C@](C)(O)C(F)(F)F)c(C(F)F)n1 450288858 MXQYNHRZDAMJCT-LBPRGKRZSA-N 343.296 2.520 0 50 EFAA CC[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1 248982129 SYBVNCMILMUXES-QWHCGFSZSA-N 328.206 2.686 0 50 EFAA CN1CCN(C(=O)c2cnc(C(C)(C)C)nc2)C2(CCCCC2)C1 806970120 IFYISHWXLGSJGX-UHFFFAOYSA-N 330.476 2.865 0 50 EFAA O=C(O)CC1CC(NC(=O)c2cnc(CCC(F)(F)F)s2)C1 907775900 DCYBKQHHRKGNLC-UHFFFAOYSA-N 336.335 2.621 0 50 EFAA CN(c1ccccc1)C1CCN(C(=O)c2cncc(C(=O)O)c2)CC1 911237994 ZOQRUXWEYKLYPK-UHFFFAOYSA-N 339.395 2.521 0 50 EFAA O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1noc2c1CCc1ccccc1-2 822768897 ATAPKSODINZNEC-XJKSGUPXSA-N 348.349 2.719 0 50 EFAA COc1cccn2ncc(C(=O)N3CCC(c4ccccn4)CC3)c12 935066907 AGZXLJUHKGKRQW-UHFFFAOYSA-N 336.395 2.758 0 50 EFAA CCc1ccc([C@@H]2CN(C(=O)c3cnc(O)cc3OC)CCO2)cc1 935618631 VQPKMDNKUKWIPE-KRWDZBQOSA-N 342.395 2.572 0 50 EFAA COc1cccc(C(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)c1C 851609389 UYSFECUNALNPFC-HXUWFJFHSA-N 339.391 2.872 0 50 EFAA COc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2C)cc1OC 3629133 IJOFQDVWHVHWMR-HNNXBMFYSA-N 343.379 2.958 0 50 EFAA N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(F)c2)C1 2325787998 HCPKEHBLJBFOBQ-CABCVRRESA-N 348.805 2.680 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 2325788009 HQHKTEBKOKORHA-KRWDZBQOSA-N 347.390 2.527 0 50 EFAA COCC[C@@H](NC(=O)N1CC(OC)C1)c1cccc(C(F)(F)F)c1 2325797814 VMVGSIDINZSOPK-CQSZACIVSA-N 346.349 2.823 0 50 EFAA CC1(C)[C@@H](N)C[C@@H]1CC(=O)NC1CCN(c2ccc(F)cc2)CC1 2325799611 LNILMNWNRUMTJF-DYVFJYSZSA-N 333.451 2.674 0 50 EFAA CC1(C)[C@@H](N)C[C@@H]1CC(=O)N1CCCN(Cc2ccccc2F)CC1 2325799633 MHIXOQBAXNNXAW-AEFFLSMTSA-N 347.478 2.624 0 50 EFAA CN(C)[C@H]1C[C@H](c2nc(-c3ccc(F)cc3)nn2CC(C)(C)CO)C1 2325849268 JUKMQOSRIMFPHT-KOMQPUFPSA-N 346.450 2.910 0 50 EFAA Clc1cc(Cl)cc(-c2noc(N3C[C@@H]4CC[C@H](C3)N4)n2)c1 2325869990 FHKXQFGUSLDYJR-TXEJJXNPSA-N 325.199 2.984 0 50 EFAA CCOc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 45199 HTPVYTHBOJNVPY-LBPRGKRZSA-N 338.363 2.709 0 50 EFAA Cc1cc(NC(=O)NC(=O)C(F)(F)F)ccc1Br 81881 YHCOEYIKRVGAME-UHFFFAOYSA-N 325.084 2.968 0 50 EFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1 220154 FPYCZWFNCWZWHV-UHFFFAOYSA-N 331.803 2.623 0 50 EFAA COc1ccccc1-c1coc2cc(OS(C)(=O)=O)ccc2c1=O 1767348 JDTDPCSGZOVMMK-UHFFFAOYSA-N 346.360 2.807 0 50 EFAA biogenic O=C(CCc1cccc(C(F)(F)F)c1)N1CCC[C@H](OCCO)C1 344057996 XXSJHDRMSSAOBB-HNNXBMFYSA-N 345.361 2.638 0 50 EFAA C[C@H]1CCCN([C@H](C)CNC(=O)c2cc(-n3cccc3)ccn2)C1 351706017 NCQRGIKLWSCUJI-JKSUJKDBSA-N 326.444 2.723 0 50 EFAA CCc1noc(CNC(=O)CSCc2ccccc2Cl)n1 55242509 BABYWEGPAGAZIC-UHFFFAOYSA-N 325.821 2.835 0 50 EFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)c1ccc(C(F)(F)F)cc1 247753596 XRUKPBJHNJPGDG-MCIONIFRSA-N 339.313 2.690 0 50 EFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1 100279661 AGKZWJBDPZPJDG-UHFFFAOYSA-N 335.787 2.921 0 50 EFAA COc1ccc(C2(C(=O)N(C)Cc3noc(C4CC4)n3)CC2)cc1 20993728 VSAXDTIVKPWOGD-UHFFFAOYSA-N 327.384 2.646 0 50 EFAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)C1CCOCC1 20450989 GISSZOYIZIRXLH-SFHVURJKSA-N 334.435 2.896 0 50 EFAA CSc1ccc2cc(CN(C)Cc3nccn3C)c(=O)[nH]c2c1 67805788 HHQGSZZTNYCLHE-UHFFFAOYSA-N 328.441 2.616 0 50 EFAA O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1c[nH]nc1[C@@H]1CCCNC1 423062666 UPVOBTKMTBJMOM-MLGOLLRUSA-N 344.846 2.947 0 50 EFAA CCn1ccc2ccc(CN3CCN(C)C4(CCN(C)CC4)C3)cc21 67817505 AWODRUQGPMWPPD-UHFFFAOYSA-N 340.515 2.873 0 50 EFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(O)cc3)nc2)C1 67840723 WXQLSKXCEZJLCN-AWEZNQCLSA-N 326.396 2.953 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 229379203 NDQYIDDWYIHUQL-OKZBNKHCSA-N 329.371 2.788 0 50 EFAA COc1ccccc1N1CCC[C@@H](NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)C1 252491980 MAQOZUXXWPCDQV-CWLMSFPYSA-N 344.455 2.738 0 50 EFAA Cc1c(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)cnn1C 424747742 GVWKUSDNVDSRRQ-OQSWDALSSA-N 329.366 2.959 0 50 EFAA Cc1ccc(CN2CC[C@@H](CNC(=O)Cc3ccccn3)C2)cc1C 67755133 PLQIHZVTJMNVKL-IBGZPJMESA-N 337.467 2.879 0 50 EFAA c1csc(Cn2cccc2CN2CC[C@H](N3CCOCC3)C2)c1 120962014 HUQMNKJTTJTWQR-KRWDZBQOSA-N 331.485 2.504 0 50 EFAA CC(C)c1nc(CN(C)C(=O)[C@H]2CCC(=O)N(C3CC3)C2)cs1 11661329 FZPSLEYERNUFFP-LBPRGKRZSA-N 335.473 2.626 0 50 EFAA O=C(c1cnccn1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 67868841 LTWKEORTZFEDDL-INIZCTEOSA-N 347.422 2.810 0 50 EFAA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(COC)c1 325114088 KAUINVNQKRXZSA-UHFFFAOYSA-N 349.408 2.894 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H](N)C1CCCCC1 219372514 IOAUXAWCIUVCJB-GOSISDBHSA-N 326.444 2.943 0 50 EFAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(Cc3ncc[nH]3)C4)n2)cc1 328603356 FVVAYMHHKQANDH-OXQOHEQNSA-N 349.438 2.937 0 50 EFAA Cn1cc(NC(=O)N[C@H]2CCc3c(O)cccc32)c(C(F)(F)F)n1 331674929 RFYULRLJRSREMZ-JTQLQIEISA-N 340.305 2.954 0 50 EFAA CCn1cnnc1[C@H]1CN([C@@H](C)CCc2cccc(F)c2)CCO1 328653520 WXCWZZAVTSIFLU-WMLDXEAASA-N 332.423 2.832 0 50 EFAA CCc1nc2c(c(NCCCCc3ccccn3)n1)CCNCC2 72478453 ISDXHVRRBIEVIT-UHFFFAOYSA-N 325.460 2.557 0 50 EFAA Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nn1 331966360 IPPMCZXJNQMMPX-NSHDSACASA-N 339.321 3.203 0 50 EFAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)cn1 253397535 UYKJNAFXKYYVSA-TZMCWYRMSA-N 339.386 2.809 0 50 EFAA COc1ccc(OCn2ccc(C(=O)Nc3cc(C)ccn3)n2)cc1 6401973 YWJJQBYNIXRSAC-UHFFFAOYSA-N 338.367 2.884 0 50 EFAA CC(C)c1ccc2c(c1)CCCN2C(=O)CNC(=O)c1cccnc1 154105950 QUJVAAHFUHDJOS-UHFFFAOYSA-N 337.423 2.914 0 50 EFAA O=C(Cn1ncc2ccccc21)NCc1nc(C(F)(F)F)cs1 153030076 LYXMMKSUJKPXOX-UHFFFAOYSA-N 340.330 2.828 0 50 EFAA OC[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)C1 72418790 JDCSFVSFGFWFMY-CYBMUJFWSA-N 326.375 2.744 0 50 EFAA Cc1noc(C2CCC(N[C@@H]3CCN(c4ncccc4F)C3)CC2)n1 366713112 YIKOVKYMJNNJPQ-YMAMQOFZSA-N 345.422 2.807 0 50 EFAA C[C@H](c1nnnn1-c1ccccc1)N1CCOc2cccc(F)c2C1 366882546 MCZYKXMIFFSKDP-CYBMUJFWSA-N 339.374 2.757 0 50 EFAA Cc1cc(NC(=O)CCC(=O)N2CCC(O)CC2)cc(C)c1Cl 282465779 IEKFHSQCHNYQJH-UHFFFAOYSA-N 338.835 2.659 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)c(F)c2)c1 282504459 NJNRWBDICUAVHT-KBXCAEBGSA-N 347.361 2.850 0 50 EFAA C[C@H]1CSc2ccccc2N1Cc1nnn(CC(F)(F)F)n1 369186328 CDMRLFWCWALOCR-VIFPVBQESA-N 329.351 2.736 0 50 EFAA COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C(=O)O)o1 237288556 BWICLBMYUUTEKK-CYBMUJFWSA-N 329.352 2.834 0 50 EFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cccc(-n2ccnn2)c1 377582872 FDMMNCUYRVCJJE-SJKOYZFVSA-N 335.367 2.911 0 50 EFAA CCO[C@H]1C[C@](NC(=O)c2cc(C)n(CC)c2C)(C(=O)O)C1(C)C 262846397 VTPWVCHXODYAAD-KSSFIOAISA-N 336.432 2.513 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1 72409741 ABWHJJZPVJVDRL-UHFFFAOYSA-N 332.488 2.994 0 50 EFAA COCc1cnc(NC(=O)c2ncccc2OCC(F)(F)F)s1 340835674 QHLZEMSDVOCRMT-UHFFFAOYSA-N 347.318 2.878 0 50 EFAA CC(C)Oc1cccc2c1c(NC(=O)[C@H]1CCCN(C)C1)nn2C 72407672 CQFYBDLMLYACEW-ZDUSSCGKSA-N 330.432 2.641 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](N(C)C)CC2)c2ccccc2n1 72133491 YCUAFTLGNSPMIC-CQSZACIVSA-N 327.428 2.800 0 50 EFAA Cc1scc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1-c1ccccc1 217874015 LKUDHROZBQXXSP-ZDUSSCGKSA-N 349.477 2.888 0 50 EFAA O=C(C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCCC1 77459934 FOGQNVWPMSZZTB-UHFFFAOYSA-N 326.400 2.575 0 50 EFAA C[C@@H](CN1CC2(CCN(CCC(=O)O)CC2)OC1=O)c1ccccc1 77454145 NFRTXUKKLOPSKZ-HNNXBMFYSA-N 346.427 2.552 0 50 EFAA CCOc1nc(C)ccc1C(=O)Nc1cccc2c1OCC[C@H]2O 241401147 NBLKNTUKDBZKSS-OAHLLOKOSA-N 328.368 2.857 0 50 EFAA O=C(CCc1cc2n(n1)CCNC2)Nc1cccc(-c2cccnc2)c1 72439364 HJAOJWHBLXUFHU-UHFFFAOYSA-N 347.422 2.620 0 50 EFAA Cc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCC(C(=O)O)CC1 263338037 OAMUDFLCISATOW-UHFFFAOYSA-N 345.374 2.693 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(C)Cc1cccnc1 222951081 GFCNTFHXLHSWCC-IBGZPJMESA-N 339.439 2.716 0 50 EFAA COC[C@@H](Nc1cc(C)nc(-c2ccccc2O)n1)c1ccnn1C 91915074 ALANNXUCLRLZFY-CQSZACIVSA-N 339.399 2.691 0 50 EFAA CCN1CCC(CNC(=O)Nc2cc(C)cc(F)c2)(N(C)C)CC1 97759451 YYCSPOVJCPQJSR-UHFFFAOYSA-N 336.455 2.672 0 50 EFAA Cc1nnc(-c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)o1 96150128 IODMLWLYUAPNDG-UHFFFAOYSA-N 343.408 2.962 0 50 EFAA Cc1ocnc1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 97717352 JFHBMRAFXFIXFZ-UHFFFAOYSA-N 335.354 2.656 0 50 EFAA CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@@H](C)C1 239366974 AHBSJPJNQVYPLN-ZFWWWQNUSA-N 348.443 2.902 0 50 EFAA NC(=O)C1(NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CCCC1 95391642 DSUPSXXQFMKMNP-UHFFFAOYSA-N 348.406 2.529 0 50 EFAA CCC[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3ccccc3)C1)C2=O 239591302 BARICRLMQDCMFZ-APWZRJJASA-N 327.428 2.862 0 50 EFAA CC(C)c1ccc(OCCNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)cc1 295230745 SQOQZLMAZXIGAL-RHSMWYFYSA-N 341.473 2.676 0 50 EFAA COc1ccc(C)c(NC(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c1 96166373 OCAQEBFIDCRUSZ-INIZCTEOSA-N 349.475 2.560 0 50 EFAA O=C1OCC2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)O1 97635062 IUJBZMCERTVGSP-UHFFFAOYSA-N 325.748 2.570 0 50 EFAA CCc1nc(C)sc1CN1CCN(c2ccccc2OC)C(=O)C1 91965595 YFAQWXWILUCFBP-UHFFFAOYSA-N 345.468 2.871 0 50 EFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 91950920 VNTVGWMIZXRYCA-SFHVURJKSA-N 336.395 2.931 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2ncsc2c1 244858619 VOOLWRXKLBEITF-PBFPGSCMSA-N 339.420 2.933 0 50 EFAA COc1cc2c(cc1CNC(=O)c1cccn1C(C)C)OCCO2 240517161 NVUZZRDEMRSJMC-UHFFFAOYSA-N 330.384 2.779 0 50 EFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC3(CCNCC3)C2)c1 244774251 PQOHWCKFMBXKQP-QGZVFWFLSA-N 329.488 2.556 0 50 EFAA C[C@@H](CO)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 253394345 ABZNJFMFKLHLEJ-LBPRGKRZSA-N 327.409 2.711 0 50 EFAA CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCNCC2 299761377 KQBJSOHXYFZEAU-UHFFFAOYSA-N 337.423 2.746 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3nc(O)c4sccc4n3)[C@H]2C1 299766140 BFYLDCRBQRMHAQ-PLQHRBFRSA-N 349.456 2.555 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)c1ccc2nc(C)[nH]c2c1 823819617 CWHHJLZKZYWXKU-UHFFFAOYSA-N 336.395 2.802 0 50 EFAA COC(=O)/C(=C/c1cn(C)nc1C)c1ncc(Br)s1 864088094 YLGIMPYFZLKLJE-RUDMXATFSA-N 342.218 2.661 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)ccc2F)C3)n1 685943409 WDRHLIGJLUTYMO-GTNSWQLSSA-N 333.338 2.850 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(C)c4ccccc4C3)n[nH]c21 1875288853 GYHGAEVZVWFNHY-OLZOCXBDSA-N 340.427 2.524 0 50 EFAA Cn1ccnc1COc1ccc(NC(=O)CC(=O)OC(C)(C)C)cc1 1875282648 NBQHNZRQRBYUNA-UHFFFAOYSA-N 345.399 2.669 0 50 EFAA Oc1cc(N2CC[C@@](O)(c3ccccc3F)C2)c2ccncc2n1 1875324628 GFRYETBEBLGRSP-SFHVURJKSA-N 325.343 2.572 0 50 EFAA Oc1ccccc1C1=CCCN(c2nnnn2CCc2ccccc2)C1 1875322812 JIISMUVQUBXNHT-UHFFFAOYSA-N 347.422 2.915 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(C)c2)cc1OC 952989467 RCLMNQJJZKZIFO-UHFFFAOYSA-N 343.383 2.544 0 50 EFAA CCN1C(=O)C[C@@H](CNc2ncc(C)c(C)n2)[C@@H]1c1cccnc1 886097364 XAJKMHXOSOWBIH-RDJZCZTQSA-N 325.416 2.510 0 50 EFAA CCOC(=O)[C@H]1CSCN1C(=O)c1cnn(C(CC)CC)c1C 888093178 MZGWNIRYKJQDMW-CQSZACIVSA-N 339.461 2.631 0 50 EFAA CN(c1ccccc1)c1ccc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cn1 888076185 GGWSCOXUIKYPRP-NLWGTHIKSA-N 349.438 2.510 0 50 EFAA O=C(Cn1nc(C(F)F)cc1C1CC1)NC1(c2ccccc2)COC1 888561730 FCIYSQQTCNGKPD-UHFFFAOYSA-N 347.365 2.740 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)n1 893919353 HEMHKMGBOMOKCU-CHWSQXEVSA-N 346.456 2.540 0 50 EFAA O=C(c1nnc2ccccc2n1)N1C[C@H]2CCCN2Cc2ccccc21 1336807423 YAJHTUQDBAYMDX-OAHLLOKOSA-N 345.406 2.650 0 50 EFAA COc1ccccc1C[S@@](=O)Cc1nc(O)cc(C(F)(F)F)n1 270102202 CRMMCPXOUBLELE-HSZRJFAPSA-N 346.330 2.659 0 50 EFAA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)C2(c3ccccc3)CCCC2)C1 1565510104 MJGNYTCPEZRDGR-ROUUACIJSA-N 344.499 2.517 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1coc(Br)c1 248161734 XTFAPWPRWIFADP-NWDGAFQWSA-N 327.222 2.741 0 50 EFAA Cn1ccc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 271268314 IYMOVYZDSFXFBT-HUUCEWRRSA-N 325.334 2.747 0 50 EFAA C/C(=C\C(=O)N(CCC(=O)O)C1CCOCC1)c1ccccc1F 221913066 DBAXFSPYIWYHOL-OUKQBFOZSA-N 335.375 2.711 0 50 EFAA CN(C)C(=O)Cc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 170602836 VKYYDCKLYOOBCH-UHFFFAOYSA-N 342.330 2.694 0 50 EFAA CC(=O)N1CCN(Cc2ccccc2NCc2c(C)noc2C)CC1 187529736 CEKYOXSSGCPDDS-UHFFFAOYSA-N 342.443 2.568 0 50 EFAA COc1cc(N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1F 187737987 PDXURCYKABZERA-LLVKDONJSA-N 343.358 2.620 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc3c[nH]nc3c2)C1 671456339 NVQOFKYYGXDNDL-ZBFHGGJFSA-N 338.415 2.520 0 50 EFAA Cn1c(=O)oc2cc(NC(=O)N3CCC([C@@H]4CCCO4)CC3)ccc21 190121633 KJDNJJTTWWQGBX-HNNXBMFYSA-N 345.399 2.554 0 50 EFAA CCCn1c(C(=O)N[C@H]2CCN(C(C)C)C2=O)cc2ccccc21 191664115 MXEYSOIWGSMFGP-HNNXBMFYSA-N 327.428 2.790 0 50 EFAA Cc1c(NC(=O)[C@H]2CCCO[C@@H]2C)nnn1Cc1ccccc1F 192382322 BVFPHWVDPRLACB-OCCSQVGLSA-N 332.379 2.528 0 50 EFAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCCOc1cccc2ccccc12 194307994 BEOLPBGVHSNQSG-IFXJQAMLSA-N 340.423 2.640 0 50 EFAA CC[C@H](C)c1nc(C)c(CC(=O)N2CC([C@@H]3CCOC3)C2)c(C)n1 655041783 YLDNWIRPCQSKKJ-SWLSCSKDSA-N 331.460 2.644 0 50 EFAA COc1cccc(Nc2ccc(N3C(=O)N[C@@H](C(C)C)C3=O)nc2)c1 656576612 JGJSAGKRNLJEPR-INIZCTEOSA-N 340.383 2.915 0 50 EFAA C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NCc1cccc(OC2CC2)c1F 661322805 VNDKXHVZUPJJDG-DYEKYZERSA-N 336.407 2.980 0 50 EFAA CC(C)NC(=O)c1ccnc(N(C)Cc2ccc(CN(C)C)cc2)c1 1506403397 ASHIFNWDOYXWLH-UHFFFAOYSA-N 340.471 2.918 0 50 EFAA CC(C)c1cc(CNC(=O)[C@H](C)c2nnc(O)c3ccccc23)no1 1506425589 FDPWDCOBYOKNLR-LLVKDONJSA-N 340.383 2.867 0 50 EFAA O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CCCO1 617322 ONXNENGRKIRMCB-LLVKDONJSA-N 339.804 2.888 0 50 EFAA CN(C)c1nc(NC2CCN(Cc3cccs3)CC2)ncc1F 1529146386 NYGOHGSQDKBRIP-UHFFFAOYSA-N 335.452 2.820 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 428720 BIRGTELIHIFUKR-UHFFFAOYSA-N 330.409 2.705 0 50 EFAA COC(=O)c1cc(NC(=O)Cc2ccc(C)cc2)cc(C(=O)OC)c1 466638 NOGWCKJDGQNZRT-UHFFFAOYSA-N 341.363 2.749 0 50 EFAA Cn1ccc(C2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1=O 1772804171 IGXVQFTYTJKBIM-UHFFFAOYSA-N 343.402 2.614 0 50 EFAA Cc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)o1 13144451 ZNWOMYOAOGOZGQ-JYRVWZFOSA-N 343.795 2.921 0 50 EFAA CCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 4167816 VYKXUHJUVVQHFI-UHFFFAOYSA-N 338.473 2.639 0 50 EFAA COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(F)cc1 4850586 GDNBQODHBNBDCE-UHFFFAOYSA-N 336.750 2.743 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223255750 IXDNSGBYZIIXMR-OTWHNJEPSA-N 349.434 2.535 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCc3ccc(F)cc3)n[nH]c21 1857529294 KCYRDEZEMOQIGE-NEPJUHHUSA-N 331.391 2.886 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc(CC(C)C)cc1)C2 1857681475 KTMDOINOPJKYCP-IBGZPJMESA-N 330.428 2.942 0 50 EFAA 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0 50 EFAA Cc1ccc(-n2c(Cc3cccnc3)nnc2SCC(=O)O)cc1 67946961 YQTHCCTZOHBVFG-UHFFFAOYSA-N 340.408 2.738 0 50 EFAA Cc1ccc(-c2cn(CC3CCN(c4ccnc(N)n4)CC3)nn2)cc1 63882970 RSEPNWFQDHXZSB-UHFFFAOYSA-N 349.442 2.542 0 50 EFAA COC[C@@H](NC1CCN(c2cccc(C)c2C)CC1)c1ccnn1C 67605897 YNQKFTRSTXCZEJ-GOSISDBHSA-N 342.487 2.983 0 50 EFAA Cc1nn2cc(CCNC3CCC4(CCNCC4)CC3)nc2s1 67723831 HELVZDICNWMPAV-UHFFFAOYSA-N 333.505 2.544 0 50 EFAA CCCN1CCC(Cc2noc(-c3ccc4[nH]c(=O)[nH]c4c3)n2)CC1 67725592 CRNAQVADMWRXSF-UHFFFAOYSA-N 341.415 2.571 0 50 EFAA O=C(C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1)c1ccco1 67757884 NSFTVCDBHFRDFY-CYBMUJFWSA-N 337.335 2.876 0 50 EFAA CC(C)c1nc(CN(C)C(=O)[C@@H]2CCC(=O)N(C3CC3)C2)cs1 11661328 FZPSLEYERNUFFP-GFCCVEGCSA-N 335.473 2.626 0 50 EFAA CCC1(C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)CC1 353556368 BHNVBOJYCZNPHR-UHFFFAOYSA-N 330.457 2.839 0 50 EFAA Cc1cc(C)n(CCNC(=O)c2c(C)c(C)cc(C)c2C)c(=O)n1 63884893 PMGIRTMDFKTXEQ-UHFFFAOYSA-N 327.428 2.524 0 50 EFAA CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCC12CCC2 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CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCCc2ccccn2)c1C 426552074 VNEIQCYSKUPDLS-ZDUSSCGKSA-N 342.443 2.798 0 50 EFAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4cccc(O)c4)c(=O)n1c23 199908647 JASISGIQEUNBSK-JTQLQIEISA-N 336.347 2.782 0 50 EFAA COc1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1NC(C)=O 239359531 AENRZSGHMYLWQO-BMGDILEWSA-N 332.444 2.947 0 50 EFAA C[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)n1ccnc1 91663147 RVOGCCRGROTWSU-SNVBAGLBSA-N 328.199 2.946 0 50 EFAA COCc1noc(CCNC(=O)c2oc3cc(C)ccc3c2C)n1 92039002 NYSNDYXWMYVBCS-UHFFFAOYSA-N 329.356 2.552 0 50 EFAA Cc1ccc(CCNC(=O)Nc2ccc3c(c2)O[C@@H](C)C(=O)N3C)o1 96140217 QCYUKMRUAAGFTQ-LBPRGKRZSA-N 343.383 2.696 0 50 EFAA C[C@H]1CCN(C(=O)NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1C 179298846 IXFWJRLXFKVPOZ-HOTGVXAUSA-N 343.471 2.997 0 50 EFAA O=C1CCCc2cc(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)ccc21 294694429 MWQFGRCUVWKGEZ-JOCHJYFZSA-N 349.430 2.982 0 50 EFAA CCn1ncnc1[C@H](NC(=O)c1ccc2ncsc2c1)C1CC1 426428941 UBVFHVRXOOFPOQ-CQSZACIVSA-N 327.413 2.789 0 50 EFAA 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Cn1cc(C[N@]2C[C@@H]2COc2cccc(OCC(F)(F)F)c2)cn1 1875381476 WJVFVDZJTHFBEQ-MCMMXHMISA-N 341.333 2.624 0 50 EFAA CC(C)(C)OC(=O)NCc1noc(C2=COc3ccccc3O2)n1 1875339342 FXQKRXDXFYABHJ-UHFFFAOYSA-N 331.328 2.864 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccnn2CC)cc1 1875373618 IGOBMHCVQZDWEU-ZDUSSCGKSA-N 326.400 2.543 0 50 EFAA O=C(NC1(C(=O)O)CC(C2CCC2)C1)[C@@H]1Cc2cc(Cl)ccc2O1 1875300039 IKTSAONNSVFGND-KVIBHRHWSA-N 349.814 2.793 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](CN=c3cncc[nH]3)CC[C@H]2C1 1875339275 ZBLJAKQCSXUJSF-XHSDSOJGSA-N 346.475 2.984 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(F)c1F 1875369013 MWTKDXCYZQUGGZ-NEPJUHHUSA-N 345.349 2.864 0 50 EFAA CC(C)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1CCC(CO)CC1 1875335413 IAQXVXHGNURMTH-PMACEKPBSA-N 344.499 2.622 0 50 EFAA CC(C)c1nnsc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 952966145 UJFLNSMVUXMIEQ-AWEZNQCLSA-N 346.456 2.878 0 50 EFAA Cc1nc2ccccc2n1CCN[C@H]1CC2(CCN(C)CC2)O[C@@H]1C 888099208 XASIJIJILLRDRG-QAPCUYQASA-N 342.487 2.576 0 50 EFAA CCn1nc(C)c(CNC(=O)N2CCC[C@@H]2c2cccc(OC)c2)n1 1414685813 HPJMROCOVQBRBC-QGZVFWFLSA-N 343.431 2.662 0 50 EFAA O=C(NCc1nnc(C2CC2)n1-c1ccccc1)[C@H]1C[C@@H]1C(F)F 1775993223 CYEYZFCUBGDOOD-STQMWFEESA-N 332.354 2.662 0 50 EFAA CO[C@@H](CNC(=O)CC1(CC(=O)O)CC1)c1cccc(Cl)c1 1775999076 PKRIZMVLXRLVIU-ZDUSSCGKSA-N 325.792 2.789 0 50 EFAA COc1cccc([C@H](CC(=O)O)NC(=O)N2CCc3ccccc32)c1 899919392 NUMZWAFLXFCCOZ-INIZCTEOSA-N 340.379 2.983 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H](Cn2ccnn2)C1)c1cccc(F)c1F 165848038 YYDBILYDPMUOHC-QWHCGFSZSA-N 349.385 2.739 0 50 EFAA CCCN(C)C[C@H]1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 271284821 LHCGSJQQCAMCSC-HUUCEWRRSA-N 328.460 2.798 0 50 EFAA CCC[C@@H](CNc1ccc2nnc(-c3ccncc3)n2n1)OCC 631384812 XLUBDIMFXRLBMB-AWEZNQCLSA-N 326.404 2.803 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(c3nc4ccccc4s3)C2)n1 275589520 KDDGTPZVWXQQTI-LBPRGKRZSA-N 341.440 2.694 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NC1CCN(c2ccccc2OC)CC1 277295230 VBAFNSNFXPSQNY-FUHWJXTLSA-N 346.471 2.985 0 50 EFAA COc1ccc(Br)c(C(=O)NC(C)(C)C(C)(C)O)c1 221137776 XPPSUKDDPCUYDN-UHFFFAOYSA-N 330.222 2.737 0 50 EFAA C[C@H](C(=O)Nc1cccc(CS(C)(=O)=O)c1)[C@@H](N)c1ccccc1 170048827 HWTSTSCRGMLSMY-SUMWQHHRSA-N 346.452 2.506 0 50 EFAA C[C@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1nc(=O)[nH][nH]1 170603349 MGRKLUBLMFMGEM-VIFPVBQESA-N 338.396 2.943 0 50 EFAA CC(C)n1ncc2cc(C(=O)N3CCO[C@H](C(C)(C)C)C3)cnc21 279508485 ZEPUZESJIOIGTC-HNNXBMFYSA-N 330.432 2.899 0 50 EFAA Cc1cccc(C2(NC[C@@H](O)CC3(O)CCOCC3)CCCC2)c1 639526793 IUCYKGSVGCLOEE-SFHVURJKSA-N 333.472 2.646 0 50 EFAA Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1C[C@@H](C)[C@H](CO)C1 190096870 RGRADULDZNDNMO-YPMHNXCESA-N 348.834 2.926 0 50 EFAA Cc1ccc(N(C)C(C)C)c(C(=O)N2CCO[C@H](C(F)F)C2)c1 194217106 QHRNPFJMHIQSKF-HNNXBMFYSA-N 326.387 2.946 0 50 EFAA Cn1nccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 195438531 UCLHITVOKNCVMQ-UHFFFAOYSA-N 327.413 2.882 0 50 EFAA Cc1ccccc1N1CCCN(c2nnnn2-c2ccccc2)CC1 1506415074 UQPRSEIUZOTTHV-UHFFFAOYSA-N 334.427 2.687 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Cc1nc2ccccc2o1 1506418416 HWPIHARPLPCTTO-UHFFFAOYSA-N 326.400 2.801 0 50 EFAA O=C(O)c1coc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 1529134355 YNVHCLPDUZVRSR-LBPRGKRZSA-N 340.383 2.704 0 50 EFAA CN(Cc1nnc(-c2cccc(F)c2)o1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529144118 MFJFXETZTACOGX-SDSIWUNFSA-N 331.391 2.857 0 50 EFAA COc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC 609528 LVPCYAWYDUWLDG-LBPRGKRZSA-N 341.363 2.949 0 50 EFAA CN1CC[C@@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]2C1=O 1800414379 QCTLSOZXJHJHIC-HIFRSBDPSA-N 345.443 2.859 0 50 EFAA CO[C@H]1CN(C(=O)c2cccc3cc[nH]c23)C[C@H]1Cc1cc(C)no1 1704280513 ODTHLGQDLOOBQN-PBHICJAKSA-N 339.395 2.794 0 50 EFAA CN(C)c1nccnc1NC[C@H](c1cccnc1)N1CCCCC1 1704302127 DRUHZLGPCDGRIS-MRXNPFEDSA-N 326.448 2.577 0 50 EFAA O[C@H]1CN(Cc2cccc(Cl)c2Cl)C[C@@H]1Cc1cnccn1 1616083056 ZFHVBGSUTMSUJU-WFASDCNBSA-N 338.238 2.819 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 873298 CUWMOEXMPNTWER-UHFFFAOYSA-N 337.423 2.916 0 50 EFAA CC[C@@]12C[C@H]1CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1772805931 RPTHFOQGWXLCQK-KSSFIOAISA-N 326.400 2.713 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)CC[C@@H]3COCCO3)c2)n1 1775982575 SARULYWHUBKVFH-LJQANCHMSA-N 329.444 2.726 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1cccc(CC(F)(F)F)c1)C2 1772712161 IUGVLNHGVFNVRG-HZPDHXFCSA-N 329.362 2.622 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(C)[nH]n3)C2)c(OC)c1 19147766 AJTDKHZZUQBDSX-AWEZNQCLSA-N 343.427 2.830 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3ccccc3OC)CC2)c1 19823629 IMSWETJLGMBXER-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C 2842811 RRLRDTLUAZMLGH-UHFFFAOYSA-N 341.454 2.808 0 50 EFAA CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1 2868465 XHLBYWGJJVBMGV-UHFFFAOYSA-N 339.800 2.810 0 50 EFAA COc1ccccc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 5433230 CUHJEAZJHCBGBZ-UHFFFAOYSA-N 330.369 2.804 0 50 EFAA CCn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 6731127 FBVWCMKFDSEWSS-UHFFFAOYSA-N 333.457 2.546 0 50 EFAA CC(C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc2c(c1)OCO2 5902436 OQNLGDZCDKFPFW-AWEZNQCLSA-N 347.396 2.673 0 50 EFAA OCCCn1cnc2cc(-n3ccnc3-c3cnsc3)ccc21 1857704200 IDDIVCQVUMTFDN-UHFFFAOYSA-N 325.397 2.728 0 50 EFAA O=C(Nc1cc(-c2cccnc2)on1)c1cccc(-c2ncn[nH]2)c1 225467726 LVNHZXJSUICSPI-UHFFFAOYSA-N 332.323 2.774 0 50 EFAA O=C1Cc2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2N1 225496993 MHEVFBHVRXVDKB-UHFFFAOYSA-N 337.354 2.774 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1C[C@H]1c1ccccc1 246083844 LKYNTOFJOPYCKW-PMPSAXMXSA-N 339.443 2.778 0 50 EFAA COc1cccc(O)c1-c1cc(=O)c2c(O)cc(OC)c(OC)c2o1 14644445 IYMNRCWUEDWTPE-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro COc1cccc([C@H]2CN(C(=O)c3cccc(C(=O)O)c3)CCO2)c1 263526813 KHMDNJXTOIJPPL-QGZVFWFLSA-N 341.363 2.607 0 50 EFAA Cc1csc(N(CC(F)(F)F)C(=O)c2c3c(nn2C)CCC3)n1 902786534 HZPUGLGQYPNDFP-UHFFFAOYSA-N 344.362 2.883 0 50 EFAA COC(=O)c1cnc(N(C)Cc2cccnc2)cc1C(F)(F)F 804324071 ODJYHPOXFKLPKH-UHFFFAOYSA-N 325.290 2.918 0 50 EFAA Cc1cc(CN)cc(NC(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)c1 904520203 PYGGFOXCLBFYNW-IEBWSBKVSA-N 339.439 2.521 0 50 EFAA CCn1cc(CC(=O)N2C[C@H](C(C)C)Cc3cc(OC)ccc32)nn1 823137801 ILXHWKDTOXJIRE-OAHLLOKOSA-N 342.443 2.711 0 50 EFAA COc1ccc([C@H]2COCCN2C(=O)c2cc3cnccc3[nH]2)cc1 828641598 DIJUQTOQKLUIOD-GOSISDBHSA-N 337.379 2.785 0 50 EFAA CN(C(=O)c1c(C2CC2)nc2sccn12)[C@@H]1CCN(C2CC2)C1 2325748159 SNTCCVSIBQKGRO-CYBMUJFWSA-N 330.457 2.582 0 50 EFAA Cc1nccnc1[C@@H](C)N1CCN(c2nc3cccnc3s2)CC1 2325771660 DAYITZVPYABECW-CYBMUJFWSA-N 340.456 2.673 0 50 EFAA C[C@H](C(=O)Nc1ccc2nc(CN(C)C)[nH]c2c1)c1ncccc1F 2325782046 QXDYUBMUOFTCDN-NSHDSACASA-N 341.390 2.901 0 50 EFAA CCn1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nn1 2325782329 OTBXCRNEKKGBRL-UHFFFAOYSA-N 334.807 2.635 0 50 EFAA CC[C@H](C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 123815188 FBMKNQYZAXYPDZ-PKOBYXMFSA-N 345.418 2.827 0 50 EFAA Cc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nc1O 48263 WRFZJVDMSKNDAC-KGYLQXTDSA-N 339.461 2.982 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1 82035 VQDZDJWWHVCIJW-UHFFFAOYSA-N 345.424 2.509 0 50 EFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(c2ncccc2C(F)(F)F)C1 2356156197 WGORBRJTGLKHDI-MRXNPFEDSA-N 349.360 2.787 0 50 EFAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 3882033 AYEXSTRNLGYBSQ-LKRVAWGUSA-N 348.483 2.889 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(O)ccc2F)C1=O 2356164110 FVDYEQLGBGOUCR-GOSISDBHSA-N 334.391 2.539 0 50 EFAA COc1cc2c(cc1OC)CN(c1c(C)c(C)nc3ccnn13)CC2 2356167281 LXBBZGWTKNQUQM-UHFFFAOYSA-N 338.411 2.926 0 50 EFAA CCCNC(=O)c1cccc(CN[C@@H](C)c2cc3n(n2)CCC3)c1 414069174 KHWXXMNOQDPLKX-AWEZNQCLSA-N 326.444 2.820 0 50 EFAA CO[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2 416565315 SRFGNXDAUVKDBV-HZPDHXFCSA-N 346.452 2.612 0 50 EFAA Cc1nc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)nn1C(C)C 23231683 BMEPYVGLKFDPBU-OAHLLOKOSA-N 342.447 2.815 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1F 55087870 GAQZEWHDKGEOCC-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA CN1CCN(Cc2ccccc2)C[C@]12CCC(=O)N(CC1CC1)CC2 107651257 UNYWMHUTXNYWHE-OAQYLSRUSA-N 341.499 2.595 0 50 EFAA CN1CCC(C)(CN2CCC[C@H](CNC(=O)c3ccsc3)C2)CC1 67910254 OANCWTSFQLAOGX-MRXNPFEDSA-N 349.544 2.922 0 50 EFAA O=C(NCCN1CCOCC1)/C(=C/c1ccccc1)c1ccccc1 20234914 LPORVFAGXRTWAS-LVZFUZTISA-N 336.435 2.676 0 50 EFAA NC[C@H]1Cc2cc(F)cc(-c3ccc(N4CCCCCC4)nn3)c2O1 67743584 YXIMEKKHXUYCCD-OAHLLOKOSA-N 342.418 2.925 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 121581931 SDHQUQWDTVYPHT-AABGKKOBSA-N 338.451 2.671 0 50 EFAA CCc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1 252538375 MZLLRCLRRXWULW-UHFFFAOYSA-N 336.399 2.855 0 50 EFAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccccn1 65405102 GRSOXPNTQMGZAE-SFHVURJKSA-N 348.406 2.614 0 50 EFAA CCNC(=O)CCN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 216345958 MAGOHTCSJLHUAP-LJQANCHMSA-N 349.494 2.884 0 50 EFAA CC[C@H](C)c1cc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)on1 328618945 FGPBEBMEFVLLOM-YWPYICTPSA-N 332.404 2.572 0 50 EFAA COc1cc2c(N3CCC[C@@H]3[C@H]3COCC[C@@H]3O)ccnc2cc1F 359299525 LUWBEWMFBHIAOG-QBIMZIAESA-N 346.402 2.749 0 50 EFAA CCCCN(Cc1ccccc1)C(=O)[C@@H]1CC2(CCNCC2)CN1 72143160 KAOQATAIYATTNV-SFHVURJKSA-N 329.488 2.547 0 50 EFAA O=C(c1cnc(Oc2ccccc2)cn1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329185386 QEKWZWFBBUJUGA-YALNPMBYSA-N 337.379 2.518 0 50 EFAA c1ccc(CNc2ncc(CN3CCC(c4ncn[nH]4)CC3)cn2)cc1 215604993 CICJHRATBFZQQB-UHFFFAOYSA-N 349.442 2.586 0 50 EFAA COCc1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1 360792227 UMIKZONHMRXISS-UHFFFAOYSA-N 331.460 2.603 0 50 EFAA CCOCc1nc2c(c(N[C@@H](C)Cc3ccsc3)n1)CCNCC2 72432179 STJZQGXTYBRRFH-ZDUSSCGKSA-N 346.500 2.806 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@]2(CCO[C@@H]2C)O1 364034423 NALPUSNPQVHKIZ-SNUQEOBHSA-N 348.447 2.574 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@@H](Nc2cccc(F)c2)C1 72137197 BLYBUJIGADQGFV-CQSZACIVSA-N 333.363 2.555 0 50 EFAA NC(=O)C[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 377527386 WXPUAMNUQANCBO-JTQLQIEISA-N 344.242 2.519 0 50 EFAA COC(=O)c1cc(N2CCC(Oc3ccc(Cl)cc3)CC2)ncn1 77353484 DNLOWVQPONICGY-UHFFFAOYSA-N 347.802 2.964 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)NCCCc1ccccn1 77516194 ALELFSKBANKOII-UHFFFAOYSA-N 336.395 2.813 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72172917 PHSJPDBLXGWIAX-SFHVURJKSA-N 332.400 2.532 0 50 EFAA CNC(=O)[C@@H]1CN(CCO[C@H]2CCCC[C@@H]2C)c2ccccc2O1 239722397 CCQBEADGOQQNRH-ZVZYQTTQSA-N 332.444 2.595 0 50 EFAA COCC[C@H](C)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 72447192 WMGXHLVUSMAEMJ-KRWDZBQOSA-N 346.471 2.941 0 50 EFAA Cc1ccnn1-c1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 333030129 LWSAZGUTJAJDNP-UHFFFAOYSA-N 335.411 2.924 0 50 EFAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1COCCO1 241132971 JNRUVGMPRDQPEI-CYBMUJFWSA-N 347.392 2.556 0 50 EFAA O=C(CSc1ccccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219700269 GGYYUNACTRLZSW-LIRZEXBASA-N 332.469 2.884 0 50 EFAA OC[C@@H]1CCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1 39484992 FBZUXGUTSLDPGS-ZDUSSCGKSA-N 340.358 2.899 0 50 EFAA C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(C(=O)O)cc1 375417538 VCZZOLGRPRVQPV-SJKOYZFVSA-N 325.364 2.849 0 50 EFAA CN(C)CCCC(C)(C)NC(=O)Cc1csc(-c2ccccn2)n1 456196057 HRUXAPUSBXOAQU-UHFFFAOYSA-N 346.500 2.984 0 50 EFAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@@H]1CC12CCNCC2 238123113 QLPINJZFKSPZKN-INIZCTEOSA-N 347.422 2.725 0 50 EFAA CC[C@H](C(=O)N1CCC2(CCCO2)CC1)N1Cc2ccccc2C1=O 71748642 JZEYIKWDTVPARQ-QGZVFWFLSA-N 342.439 2.593 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(-c3ccncc3)nc2)C1 71749259 LTEDEROZWYLYLC-INIZCTEOSA-N 338.455 2.851 0 50 EFAA CCOC(=O)c1nc(-c2ccccc2)oc1CN(C)[C@@H]1CCC[C@H]1O 286271035 BIBLUKUTSOWHTQ-HUUCEWRRSA-N 344.411 2.864 0 50 EFAA CCc1ccc(-c2nccn2Cc2nnnn2-c2ccccc2)nc1 82108542 RPGNQDIAMBPCCF-UHFFFAOYSA-N 331.383 2.532 0 50 EFAA Cc1cc(C)n(C[C@H]2CN(CCCc3cnccc3C)CCO2)n1 290118099 TXYXXWBSOZWSFU-LJQANCHMSA-N 328.460 2.537 0 50 EFAA CCOc1ccc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)o1 223876855 FFNJSEJXIRDONQ-QGZVFWFLSA-N 330.384 2.659 0 50 EFAA CN=c1cc(C)[nH]c(-c2ccc(C(=O)NCCSC(C)C)cc2)n1 426470808 LMMRZEDWFGHSNA-UHFFFAOYSA-N 344.484 2.787 0 50 EFAA CCCc1noc([C@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)n1 91593836 WQQSFBOKEYPGNQ-AWEZNQCLSA-N 329.400 2.937 0 50 EFAA Cc1cnn(CCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c1 230074681 AIOBFZUOKBTXHZ-MDZRGWNJSA-N 327.428 2.959 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@H]1CC(=O)OC13CCCC3)CCC2 97307535 FCDBZABQOGWUNF-MRXNPFEDSA-N 343.423 2.676 0 50 EFAA O=C(NCc1ccc(Cl)s1)c1ccc2c(c1)ncn2CCO 97619291 GGOOIHBZDSJFDE-UHFFFAOYSA-N 335.816 2.674 0 50 EFAA Cc1cccc2nc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c(F)n12 97797723 SRCSOQULIXJKDX-ZDUSSCGKSA-N 343.406 2.823 0 50 EFAA CCSc1ccc(NC(=O)NCCc2cc(=O)[nH]c(C)n2)cc1 97527233 WIGFZCGTASMZRB-UHFFFAOYSA-N 332.429 2.555 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1F 237926872 HZPLIKHNLRAHDX-LBPRGKRZSA-N 327.327 2.590 0 50 EFAA C[C@@H](Cc1cnccn1)N(C)CCC(=O)Nc1ccc(F)cc1F 244724462 MUNXAWZOKIZKCZ-LBPRGKRZSA-N 334.370 2.646 0 50 EFAA Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCC(C(=O)O)CC2)cc1 299752996 WKALNFYHYSTJRS-IAGOWNOFSA-N 331.412 2.786 0 50 EFAA O=C(C1=CCOCC1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 184423246 FGBPBSNLVZXZBA-QGZVFWFLSA-N 335.831 2.959 0 50 EFAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1csc2c1CCCC2 273090097 KVFONNCQTPBDQK-UHFFFAOYSA-N 327.409 2.727 0 50 EFAA O=C(Nc1cncc(F)c1)N1CCC([C@@H](O)c2ccccn2)CC1 299789783 CMINRPZDOHHRRG-MRXNPFEDSA-N 330.363 2.593 0 50 EFAA Cc1nc(C(C)C)sc1CNC(=O)CC[C@@H](C)N1CCOCC1 299788302 RSAPCGQBEKCOIP-CYBMUJFWSA-N 339.505 2.692 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1c(C)nc(C)nc1O 299790841 CDPSCSARNFPLQE-KRWDZBQOSA-N 341.411 2.544 0 50 EFAA N[C@H]1C[C@H]2C[C@H]1C[C@@H]2N=c1[nH]cnc2c(-c3ccccc3)nsc12 1875341627 AFGHACDVYZDMQY-CRWXNKLISA-N 337.452 2.713 0 50 EFAA CN(C)CC1(O)CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 952885104 ZEWQTMDKYWZBHR-UHFFFAOYSA-N 346.258 2.914 0 50 EFAA CC(C)c1ccccc1NC(=O)NCCc1cn([C@@H]2CCOC2)nn1 1875282771 RTXWYWLWMWZWSJ-OAHLLOKOSA-N 343.431 2.727 0 50 EFAA CC(C)NC(=O)CN[C@H](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1875279605 OPAPUHRUGXFGIG-CABCVRRESA-N 341.496 2.526 0 50 EFAA Cc1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)cc(C)n1 952980352 WLERNBFRXHFHCW-UHFFFAOYSA-N 340.427 2.759 0 50 EFAA CO[C@@]1(c2nnc(-c3cc(C)n(-c4cccc(F)c4)n3)o2)CCOC1 886085530 JESKLGKDNANMHJ-KRWDZBQOSA-N 344.346 2.632 0 50 EFAA COc1ccc(C)cc1CCNC[C@H]1CCO[C@@H]1c1cnn(C)c1 886079007 BCRBKSSBFSHKOU-APWZRJJASA-N 329.444 2.647 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)nc1 1412234781 YZQWSWOWDZHZNV-OAHLLOKOSA-N 337.423 2.910 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)[C@H]2CC(=O)Nc3ccccc32)nc1 1412234780 YZQWSWOWDZHZNV-HNNXBMFYSA-N 337.423 2.910 0 50 EFAA C[C@H](NCC(C)(C)C[C@@H](C)O)C1(n2cc(Br)cn2)CC1 1775998078 RLJIMAWMAUTQQA-NEPJUHHUSA-N 344.297 2.910 0 50 EFAA O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(Cl)cc1 274759107 IEDCUBCUTMIOME-UHFFFAOYSA-N 331.803 2.502 0 50 EFAA Cc1cc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)c(C)cc1Cl 408481677 JAXMDLXIDNJTHJ-GFCCVEGCSA-N 345.848 2.586 0 50 EFAA Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 408520495 IASMGAJAWDSZEC-OCCSQVGLSA-N 335.448 2.946 0 50 EFAA Cn1cc(CC(=O)Nc2cc(Br)c(F)cc2F)cn1 170604668 ZLRZHNNQPPVVCT-UHFFFAOYSA-N 330.132 2.642 0 50 EFAA CC(C)n1ccc(NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)n1 280864979 YGNSVXSTAQYQQO-LLVKDONJSA-N 333.358 2.564 0 50 EFAA Cc1cc2nnc(S[C@H]3CCc4ccccc4NC3=O)n2c(C)n1 187884305 KWYKEVMBOGRNTI-AWEZNQCLSA-N 339.424 2.787 0 50 EFAA CCCn1c(C(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc2ccccc21 188545664 WMYKZCKHOBEYRI-INIZCTEOSA-N 341.455 2.992 0 50 EFAA Cc1cc2c(=O)n(CCOCC(F)(F)C(F)F)cnc2cc1F 189131901 WIBISYKVNUZLES-UHFFFAOYSA-N 336.260 2.761 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)NCCCc2cccc(F)c2)C[C@H]1C 190626142 KQEGYCUDKVERBW-CZUORRHYSA-N 336.407 2.599 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](CC(C)C)C(=O)O 195542632 VYBFQEWJKRIWKN-OAHLLOKOSA-N 347.390 2.857 0 50 EFAA O=C(c1cccnc1NCCc1nc2c(s1)CCC2)N1CCCC1 1704338376 STPZASGACQPUOT-UHFFFAOYSA-N 342.468 2.917 0 50 EFAA CN(C(=O)CC(C)(C)c1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704326568 HLIDSZUIDSVBGO-HLLBOEOZSA-N 328.456 2.727 0 50 EFAA CCC(CC)N1C[C@@H]2OC(=O)N(CCc3ccc(OC)cc3)[C@@H]2C1 1615633174 FCQPAQROCGIMAP-MSOLQXFVSA-N 332.444 2.931 0 50 EFAA NCc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)o1 1772709559 KPJQODVCMWFDPF-AWEZNQCLSA-N 335.839 2.821 0 50 EFAA CC(=O)N1CCC[C@@H](c2nnc3n2-c2cc(C)c(Cl)cc2OC3)C1 1772811706 XVUZFQAVNKRDSJ-GFCCVEGCSA-N 346.818 2.847 0 50 EFAA CN(Cc1cccnc1)C(=O)c1cc(Cn2cnc3ccccc32)on1 12306413 IADFYNQQWYKMKB-UHFFFAOYSA-N 347.378 2.740 0 50 EFAA Cn1nnnc1SCc1ccc(C(=O)c2ccc(Cl)cc2)o1 12427838 RQKINUUNTPUZKS-UHFFFAOYSA-N 334.788 2.980 0 50 EFAA CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 13329057 AGBLPXVUCDCDMZ-UHFFFAOYSA-N 338.407 2.974 0 50 EFAA Cc1nc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cs1 15073419 ZQSZICSVJRFYRP-UHFFFAOYSA-N 345.403 2.503 0 50 EFAA Cc1sc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n2c1C 16648784 LPNAHRSZPKYUTM-UHFFFAOYSA-N 347.827 2.956 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(F)cc1 1207390 HKVJUNYZHAHHLW-AWEZNQCLSA-N 334.372 2.649 0 50 EFAA O=C1NC(=O)/C(=C\c2ccc(I)cc2)S1 1231354 XEOCLGLXFYSZRK-VMPITWQZSA-N 331.134 2.615 0 50 EFAA O=C(O)CCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6715585 DRUJBHWVCRDJJX-UHFFFAOYSA-N 345.226 2.897 0 50 EFAA COc1ccc(-c2nccn2CCc2cnn(C)c2)c(OC)c1C 1857679612 ODXFLCCASHLGAQ-UHFFFAOYSA-N 326.400 2.852 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(c2cc(NCC3CC3)ncn2)C1 302162455 QCXOWKHXRFAKEH-HNNXBMFYSA-N 343.431 2.699 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)ccc1F 643889933 PSAHBXKZPFCVAW-OAHLLOKOSA-N 344.390 2.668 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 238072648 MKQLOXPWYQTWLK-XQQFMLRXSA-N 338.201 2.628 0 50 EFAA CN(CCc1ccccn1)[C@@H]1CCCN(c2cccc(F)c2)C1=O 153033455 ZIUWDPHBVIUAFQ-GOSISDBHSA-N 327.403 2.891 0 50 EFAA Cc1ccc(CC2(O)CCN(C(=O)C[C@@H]3CCCCO3)CC2)cc1 364792502 ZRJOAIXOUJMMTN-SFHVURJKSA-N 331.456 2.850 0 50 EFAA CO[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)c1cnn(C)c1 376145940 CDMNONSGKYJWGN-KRWDZBQOSA-N 329.375 2.563 0 50 EFAA CCc1onc(C)c1CNC(=O)Nc1ccn(-c2ncccc2F)n1 930575060 WXIHMQXLLRLPPC-UHFFFAOYSA-N 344.350 2.587 0 50 EFAA Cc1csc([C@@H]2CCCN2C(=O)Nc2nnn(C)c2C(F)F)n1 934806087 YKSXRAUZSGRUPG-QMMMGPOBSA-N 342.375 2.887 0 50 EFAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CO1 851607783 SHUICVHOBMVEFD-KSSFIOAISA-N 339.391 2.630 0 50 EFAA c1cc(NCc2cnnn2[C@H]2CCCNC2)cc(-c2nccs2)c1 903922364 WFQOPSUSERYHFS-HNNXBMFYSA-N 340.456 2.938 0 50 EFAA CC(C)[C@H](C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)N(C)C 110680198 DXFJOPDAZNVTPC-QGZVFWFLSA-N 340.427 2.859 0 50 EFAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1cccc(F)c1 390090 FJAIZYBCMGOEPH-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 390743 VEVLFGXPJHEIDQ-AWEZNQCLSA-N 332.425 2.609 0 50 EFAA COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1 1645590 BWORNNDZQGOKBY-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA biogenic,in-vitro COCCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 1891412 VWVPARCNRWAVDR-UHFFFAOYSA-N 343.379 2.816 0 50 EFAA CCC[C@@]1(CO)CN(Cc2cc3cc(C)ccc3n2C)CC[C@@H]1O 2356149166 NQJREVNEEPEPPZ-PMACEKPBSA-N 330.472 2.832 0 50 EFAA O=C(CS(=O)(=O)Cc1ccccc1)Nc1cc(F)cc(F)c1 4740679 XKBLZKAFWDSOBE-UHFFFAOYSA-N 325.336 2.518 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)o2)cc1 6698053 ZGHBWQMLYGBBKF-UHFFFAOYSA-N 335.385 2.540 0 50 EFAA CC(C)[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)N(C)C 110680196 DXFJOPDAZNVTPC-KRWDZBQOSA-N 340.427 2.859 0 50 EFAA CCC(=O)Nc1cc(-c2nn3c(CC)nnc3s2)ccc1OC 10010254 DTGUHYWSQMNYCT-UHFFFAOYSA-N 331.401 2.772 0 50 EFAA CCC(CC)n1ncc(C(=O)N2C[C@@H](COC)OC(C)(C)C2)c1C 343758921 VMRNGNIVZBUGJH-HNNXBMFYSA-N 337.464 2.819 0 50 EFAA CCCCN(Cc1ccc(C)s1)C(=O)[C@@H](C)N1CCN(C)CC1 55052907 PHZRGUFGGKAIFP-MRXNPFEDSA-N 337.533 2.821 0 50 EFAA Cc1cc(N2CCC(N(C)C[C@@H](O)CC3CCCC3)CC2)nc(C)n1 225597473 RWZWNXJNOHOCSE-IBGZPJMESA-N 346.519 2.935 0 50 EFAA Cc1cc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cc(=O)[nH]1 55340979 JARFIXRIHBFWLF-HNNXBMFYSA-N 332.425 2.566 0 50 EFAA Cc1ccc2nc(CCCNC(=O)CCN3CCCCO3)[nH]c2c1C 55392954 LNKYLPOOXNBBLN-UHFFFAOYSA-N 344.459 2.646 0 50 EFAA CC(C)c1noc([C@H]2CCCN2C(=O)CC2=CSC3=NCCN23)n1 101955143 UYGDIZZAOGQPIP-GFCCVEGCSA-N 347.444 2.506 0 50 EFAA c1ccc(COc2ccc(OCCCN3CCNCC3)cc2)cc1 22032678 FNEVRORQEVMSTM-UHFFFAOYSA-N 326.440 2.940 0 50 EFAA COc1cccc([C@@H](C)C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 134658091 XPMPCFXYNXAWOU-LLVKDONJSA-N 341.436 2.899 0 50 EFAA Cc1cccc(-n2cc(CN(C)C(=O)c3cc(C)nc(C)n3)cn2)c1 65407558 YNCCGAHWBFFDMJ-UHFFFAOYSA-N 335.411 2.860 0 50 EFAA CSCC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 118986350 DKPWEFSXVYTUAY-GFCCVEGCSA-N 339.848 2.574 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)COc1cc(Cl)cc(Cl)c1 136537072 LFPKKDNXSUTPLM-LBPRGKRZSA-N 332.183 2.838 0 50 EFAA CC[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nc(C)no1 67921734 VBPQZMGSIHOQQQ-AWEZNQCLSA-N 341.371 2.561 0 50 EFAA CN1CCC(N2CCC[C@H](NC(=O)Cc3ccccc3Cl)C2)CC1 11711380 WBCYROSKDTWDAB-INIZCTEOSA-N 349.906 2.557 0 50 EFAA Cc1cc(N)n(CC(=O)N2CCCC[C@H]2CCc2cccs2)n1 1506412392 BXTUFGWJKJTLKX-AWEZNQCLSA-N 332.473 2.849 0 50 EFAA CC[C@@H](C)N(Cc1cccnc1)C(=O)C(=O)N1CCc2ccccc21 65399253 KGIXQMSKKMLPRS-OAHLLOKOSA-N 337.423 2.798 0 50 EFAA O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1ccccc1 11956748 VJLKBAKSCQKBTF-HXUWFJFHSA-N 330.472 2.710 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2CCCO)C1 328597090 DIUDUOXIDSNMAA-CVEARBPZSA-N 326.481 2.870 0 50 EFAA CS(=O)(=O)CCS[C@@H]1CCCN(c2ccccc2Cl)C1=O 172696358 RNOJBQHUHJIQCN-CYBMUJFWSA-N 347.889 2.613 0 50 EFAA CCC(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328608357 YSMOHFYCMXDLMU-DNVCBOLYSA-N 325.412 2.951 0 50 EFAA C=Cc1ccc(C(=O)N2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 253392735 UWKJMCGYTMBEPM-ZCPGHIKRSA-N 329.396 2.653 0 50 EFAA COc1coc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1=O 253395816 SQVCFWGXIKYKBJ-BOLDSZDNSA-N 325.364 2.966 0 50 EFAA CC[C@H](C(=O)N[C@H](C)COCC(F)(F)F)N(C)Cc1ccccc1 253406213 WSRPPPHQADOLCM-UKRRQHHQSA-N 346.393 2.981 0 50 EFAA Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([S@](C)=O)cc1 253425148 BAOTZQKQYPNHLC-FYSMJZIKSA-N 346.456 2.917 0 50 EFAA C[C@H](CNC(=O)N1CCc2ccccc2CC1)CC1(C)OCCO1 153038529 PJADIYLMQYJOKQ-HNNXBMFYSA-N 332.444 2.586 0 50 EFAA COc1ccnc(CN2CCn3c(C4CCCC4)nnc3[C@H]2C)c1 367870411 ZQXKORTVMXKMCQ-CYBMUJFWSA-N 327.432 2.916 0 50 EFAA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3nc[nH]c23)C1 128234760 KAGNRYHIMIDAEX-RYUDHWBXSA-N 349.316 2.684 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)ccn1 77379529 ZSPQLMYBVYRBMY-KRWDZBQOSA-N 338.407 2.754 0 50 EFAA CNC[C@H]1CCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 237234726 FYFZJYNQCDSGJP-OAHLLOKOSA-N 333.819 2.748 0 50 EFAA O=C(c1cccc2c1CCCC2)N1CCN(CC(F)(F)F)CC1 448624383 VCTWMZQYUXFLCX-UHFFFAOYSA-N 326.362 2.886 0 50 EFAA COc1ccccc1N1CCN(C(=O)CCc2ccccn2)[C@H](C)C1 72480780 WIYSFIFXIBGTQF-MRXNPFEDSA-N 339.439 2.760 0 50 EFAA CCO[C@H]1COC[C@@H]1NC(=O)c1cc(C)nc2ccc(CC)cc12 77298898 XDGPPAHFDHJDHD-ROUUACIJSA-N 328.412 2.639 0 50 EFAA CC(C)C[C@@]1(CO)CCCN(c2ccnc(C(=O)NC(C)C)c2)C1 72132013 MQNPDEGMNAOAPD-IBGZPJMESA-N 333.476 2.845 0 50 EFAA CCn1ncc(CNC(=O)c2cc(-c3cccs3)n(C)n2)c1C 218894599 PTWCFGHGFRFFTF-UHFFFAOYSA-N 329.429 2.603 0 50 EFAA C[C@H]1Oc2cc(F)ccc2[C@H]1NS(=O)(=O)Cc1cccc(F)c1 376325262 XICQLWATMJDKSI-HWPZZCPQSA-N 339.363 2.906 0 50 EFAA COC(=O)N1CCC(OC(=O)c2cc(C3CCCCC3)n[nH]2)CC1 133436652 GADLGRAJSRRWAZ-UHFFFAOYSA-N 335.404 2.845 0 50 EFAA CCOc1cc2c(cc1CN1CC[C@]3(C1)CN(C)C(=O)O3)CCC2 72474135 JJNYLTMDVDWCOE-LJQANCHMSA-N 330.428 2.601 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 238206033 PVSYIYLPVJVIKG-MRXNPFEDSA-N 329.327 2.738 0 50 EFAA COc1ccc(C)cc1NC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O 71376306 QTHUQHMNYHJOAO-NSHDSACASA-N 340.379 2.709 0 50 EFAA Cn1cc(N2CCC[C@H](Sc3nc4ccccc4n3C)C2=O)cn1 132932217 MTUWKBOYEOEZMA-HNNXBMFYSA-N 341.440 2.595 0 50 EFAA O=C(c1ccc2nonc2c1)N1CCCN(Cc2cccs2)CC1 77407022 NXVPFIAVYYZMMX-UHFFFAOYSA-N 342.424 2.632 0 50 EFAA O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCn2cncc2C1 72162831 YMBCAWLJMKBZLM-UHFFFAOYSA-N 331.485 2.927 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(-c3cc[nH]n3)cc1)CC2 245500286 ZVAJVEFQQGHABQ-HOTGVXAUSA-N 325.416 2.777 0 50 EFAA CC(C)Oc1cccc(CNC(=O)CN2CC[C@@]3(CCCOC3)C2)c1 341983821 CTNXPRJDKIVYRV-FQEVSTJZSA-N 346.471 2.593 0 50 EFAA C[C@@H](CS(C)(=O)=O)C(=O)N(C)Cc1cccc(Cl)c1Cl 176416706 DTTZIBODCNBCEQ-VIFPVBQESA-N 338.256 2.633 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)C1 195599700 KZGUSOORCRPXRT-XJKCOSOUSA-N 336.457 2.702 0 50 EFAA COc1cccc(C(=O)N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)c1C 221361509 SBELPCQXGFLLNR-CQSZACIVSA-N 332.444 2.723 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 179024939 MTEJZNAOKSEATK-GHMZBOCLSA-N 331.243 2.829 0 50 EFAA CCc1ccc(CN(C)C(=O)c2cc(C)ccc2OCCN)nc1 426599563 LCCSZNXFJJWKLM-UHFFFAOYSA-N 327.428 2.562 0 50 EFAA Cc1ccsc1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 237768924 SDKVYJBZFZOLEZ-UHFFFAOYSA-N 332.381 2.513 0 50 EFAA COc1cc2c(cc1CNC(=O)c1nn(C)c3c1CCCC3)CCC2 97602361 VMIIZATXLMWWLD-UHFFFAOYSA-N 339.439 2.726 0 50 EFAA COC(=O)C[C@@H]1CCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 179759340 FKPFFZRXPFRQAE-VIFPVBQESA-N 331.199 2.743 0 50 EFAA Cc1cccc([C@@H](C(=O)N(C)CCc2c(C)n[nH]c2C)N(C)C)c1 95358150 HRGRDAFNRIGVQN-SFHVURJKSA-N 328.460 2.639 0 50 EFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)O 91951311 SMNQBCWDTMHQNL-JKSUJKDBSA-N 343.354 2.775 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(O)c2sccc2n1 294284973 ULCZFJILAZDTTD-DLOVCJGASA-N 333.413 2.615 0 50 EFAA CCOc1ccc(-c2nc(CC(N)=O)nn2-c2ccccc2Cl)o1 96148747 GTCJMWOBPHHFOM-UHFFFAOYSA-N 346.774 2.607 0 50 EFAA CN(CCCc1nccn1C)c1ncnc2c1Cc1ccccc1OC2 95501798 DRYAMCGUOPGPLM-UHFFFAOYSA-N 349.438 2.762 0 50 EFAA Cc1ccc(CCNC2CCN(c3ncnc4[nH]cnc34)CC2)s1 95510285 LDJSJUUHWMXHOP-UHFFFAOYSA-N 342.472 2.524 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2[nH]cnc12 237979708 PNAXYGGRTLFQLN-HERUPUMHSA-N 331.347 2.560 0 50 EFAA Cc1cc(C)c(C(=O)NCc2nc3ccccc3n2C(C)C)c(=O)[nH]1 91780722 SJTVALPDRXWQAA-UHFFFAOYSA-N 338.411 2.852 0 50 EFAA CCOC(=O)c1ccc(NC(=O)N[C@H](CC)c2cnn(C)c2)cc1 96133232 GZUSWWKALVGZFQ-OAHLLOKOSA-N 330.388 2.870 0 50 EFAA COCc1noc(CN2CCC[C@@H](c3nccn3CC3CCC3)C2)n1 95370317 HPYFYOHQNZVOIH-OAHLLOKOSA-N 345.447 2.592 0 50 EFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc2nccnc2c1 244719102 LWZCODBJAKALAT-FCEWJHQRSA-N 333.391 2.872 0 50 EFAA COc1ccc(-n2cc([C@H](C)NC(=O)[C@H]3CC[C@@H](O)CC3)cn2)cc1 244899652 ZNKDLUBVCBFYBR-GRDNDAEWSA-N 343.427 2.609 0 50 EFAA CN(C)c1ccncc1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 183905918 UFAVABCMHARYGF-LJQANCHMSA-N 325.412 2.535 0 50 EFAA NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]2CC=CCC2)CC1 299647173 FJHRAVAMLIUNQM-OAHLLOKOSA-N 327.428 2.683 0 50 EFAA O=C(Nc1ccc(-c2nnn[nH]2)cc1)C1(c2ccccc2)CCOCC1 299674493 RJRZZQOIPCEURP-UHFFFAOYSA-N 349.394 2.554 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(F)cc1 299753377 YANFCNGQIYJQCX-CABCVRRESA-N 329.327 2.634 0 50 EFAA O=C(NCC[C@H]1CCOC1)c1ccc(-c2noc(C3CC3)n2)cc1 299773051 CMZYSISXDMWURH-LBPRGKRZSA-N 327.384 2.770 0 50 EFAA O=C(N[C@H](CCO)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 269182303 YBJZCXBEBASKMS-GOSISDBHSA-N 338.407 2.889 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)c1 822535016 PZSCHSFEAYSUIR-CQSZACIVSA-N 345.443 2.787 0 50 EFAA C[C@H](CO)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C1CCCC1 863983371 GLXVEFUDGKVHQA-VNQPRFMTSA-N 326.481 2.773 0 50 EFAA Cc1ccc(C[C@]2(C)CCCN2C(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 871078258 JFUDPOPBBSOVKB-MJGOQNOKSA-N 347.480 2.867 0 50 EFAA Cc1noc(C)c1-c1cn([C@H](C(=O)NC(C)C)c2ccccc2)nn1 1875282538 IRQSNFBGAMRETF-KRWDZBQOSA-N 339.399 2.664 0 50 EFAA CN1CC[C@H](C(=O)NCC2CCC3(CC2)CC3)[C@@H](c2ccnn2C)C1 1875269618 VHHSIOMKYFCGIW-IRXDYDNUSA-N 344.503 2.542 0 50 EFAA C[C@H](CS(=O)(=O)N(C)C)Nc1ccc(-c2ccco2)cc1F 1875285539 QCLHWAQUHSQHNY-LLVKDONJSA-N 326.393 2.778 0 50 EFAA CC[C@@H](C)N1CC[C@@H](CN=c2cc(-c3ccccn3)nc(C)[nH]2)C1 1875288240 TXBMZFNISYYWQW-ZBFHGGJFSA-N 325.460 2.801 0 50 EFAA COCc1cc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)no1 885653581 BAFFUOYEOSNSOQ-CQSZACIVSA-N 332.356 2.668 0 50 EFAA Cc1ccc2nc(C(=O)NC[C@H]3CCN3C3CCOCC3)ccc2c1 885885808 LRAKLKJZXFSYHB-QGZVFWFLSA-N 339.439 2.526 0 50 EFAA Cc1nc2ccccc2n1CCN[C@@H]1CC2(CCN(C)CC2)O[C@@H]1C 888099195 XASIJIJILLRDRG-CRAIPNDOSA-N 342.487 2.576 0 50 EFAA NC1(C(=O)N2CCC[C@]3(CCCCc4ccccc43)C2)CCOCC1 888102237 CKACOIVFXHETNL-HXUWFJFHSA-N 342.483 2.781 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N=c1cc[nH]cc1OC(C)C)CC2 889952764 DEOHJHPUONBWGW-OAHLLOKOSA-N 326.396 2.968 0 50 EFAA Clc1cccc(-c2nnc(N3CCO[C@@]4(CCCOC4)C3)o2)c1 893813610 MOYIDKCPQDPICG-INIZCTEOSA-N 335.791 2.776 0 50 EFAA Cc1ccc2cc(C(=O)N3C[C@@H](N(C)C)C4(CCOCC4)C3)[nH]c2c1 1775987030 HDKTXIYVJVYEKI-GOSISDBHSA-N 341.455 2.659 0 50 EFAA CCOCCN1C(=O)N[C@H]2c3cc(C)ccc3O[C@@]13CCSC[C@@H]23 1776003661 CKTFPQADNUKIBE-QILLFSRXSA-N 348.468 2.940 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)NC[C@H]1CCCC(C)(C)O1)[C@H]2C 898638126 YLKRQGBQBUSCPV-UONOGXRCSA-N 349.479 2.835 0 50 EFAA CCO[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)[C@@]12CCCO2 272632495 BCFYUXNLVWBTEX-NJYVYQBISA-N 344.499 2.967 0 50 EFAA O=C(Nc1ccccc1N1CCCC1=O)N1CCC(CCCO)CC1 272774040 COUNYBXZGQMBKP-UHFFFAOYSA-N 345.443 2.830 0 50 EFAA Cc1nc(N)nc(N2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 631289986 BJFYNQGXFNNAHF-UHFFFAOYSA-N 344.366 2.622 0 50 EFAA Cc1cc(NC(=O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)on1 303998024 PXHJKNXGTOGQEF-GOSISDBHSA-N 347.390 2.506 0 50 EFAA CC(=O)N1CC[C@@H](CNc2ncnc3sc4c(c23)CCCC4)C1 408516814 FXFCZVDPCXHFLX-LBPRGKRZSA-N 330.457 2.850 0 50 EFAA CC[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1)c1noc(C)n1 221864483 YAXJPOWEPZFPCB-BYCMXARLSA-N 332.404 2.641 0 50 EFAA CC(=O)Nc1cccc(CN2CCC(CC(=O)N3CCCC3)CC2)c1 170643421 VONNHMCPGWGAHR-UHFFFAOYSA-N 343.471 2.870 0 50 EFAA Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)no1 171436522 COVCPXYUSFRYDI-NSHDSACASA-N 328.372 2.697 0 50 EFAA Cn1cc(C2=CCCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)C2)cn1 636165541 DQZPJGWQQVAENC-CTNGQTDRSA-N 333.435 2.940 0 50 EFAA Cc1ccccc1[C@H]1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 638001473 SJOQUFRWQLOGJV-IRXDYDNUSA-N 326.444 2.613 0 50 EFAA COC(=O)[C@@H](NCc1cccc(OC)c1)c1ccc2c(c1)CCO2 189610986 NDKUAEANCXSVQS-SFHVURJKSA-N 327.380 2.634 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)o1 191565935 GQCFBBJKBXTTEG-UHFFFAOYSA-N 348.742 2.776 0 50 EFAA Nc1ncncc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 192229765 JIWBLUCBUXHLST-UHFFFAOYSA-N 332.354 2.922 0 50 EFAA CCc1nc(C)c(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)[nH]1 1529152232 QJKDMYPWLUHVTH-IEBWSBKVSA-N 340.471 2.538 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)NC2(Cc3ccc(Cl)cc3)CC2)CC[C@H]1N 1857708381 QTNINRQBQCLJPB-NUEKZKHPSA-N 336.863 2.674 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(c1ccc(C(=O)O)cn1)CC2 1857714309 PRGTXFBQQWCCFT-UHFFFAOYSA-N 348.406 2.786 0 50 EFAA Cc1c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)nc2ccccn12 1857718336 DWFQSQLTISUFRJ-UHFFFAOYSA-N 347.378 2.965 0 50 EFAA C[C@H]1CN2C[C@@H](NC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]2CO1 1857733088 UQYIEWVGEALXKD-DLOVCJGASA-N 344.242 2.977 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C)n(C(C)(C)C)n2)n[nH]1 407979539 BRCYPPQVAWAQEL-AWEZNQCLSA-N 330.436 2.740 0 50 EFAA CC[C@](CNC(=O)c1nc(C)oc1C)(C(=O)OC)c1ccccc1 408521404 SNSOYKDSGAQLLE-GOSISDBHSA-N 330.384 2.542 0 50 EFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 225424745 OAZLBLXYHGZOBZ-NZUILWFCSA-N 341.459 2.615 0 50 EFAA COc1cc(Cl)ccc1C(=O)OCc1ncnn1CC(F)F 225691941 YTAFCUUPQLRBDN-UHFFFAOYSA-N 331.706 2.562 0 50 EFAA O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2Cl)o1 112660982 QEDDMEPXHBGYHZ-NSHDSACASA-N 342.786 2.936 0 50 EFAA CCC(C)(C)OC[C@H](O)CN1CCc2cc(OC)c(OC)cc2C1 8844704 VBUWNYDTKFBEDV-MRXNPFEDSA-N 337.460 2.628 0 50 EFAA biogenic COc1cc(CNC(=O)C2(c3ccc(F)cc3)CC2)ccc1C(=O)O 237308910 SPNGWLSIRBAUSU-UHFFFAOYSA-N 343.354 2.881 0 50 EFAA O=C(O)c1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1 237967269 JFJQYCXQFUUFPW-GOSISDBHSA-N 339.391 2.859 0 50 EFAA Cc1noc([C@H]2CN(C(=O)c3c(C)oc4ccccc34)CCN2C)n1 344587931 GZACBDIXZHJFAA-CQSZACIVSA-N 340.383 2.562 0 50 EFAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccc(-c2ccccc2F)o1 673966966 GJDACSMIWZIBHU-NEPJUHHUSA-N 328.343 2.579 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](n4cc(C)cn4)C3)cc12 358345596 SCIVJMOJORBBOT-LBPRGKRZSA-N 342.374 2.908 0 50 EFAA CN1C[C@H](C(=O)N(C)C2CCC(F)(F)CC2)c2ccccc2C1=O 377166827 BUWQKKKUQBMXLS-HNNXBMFYSA-N 336.382 2.892 0 50 EFAA CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 264149606 YXCYAHJWJHDMGY-RTBURBONSA-N 330.472 2.833 0 50 EFAA Cc1cnc(CCN2CCOc3c(cccc3C(=O)O)C2)c(C)c1 903927844 NHCJIAZLWRMYFD-UHFFFAOYSA-N 326.396 2.834 0 50 EFAA COc1cccc([C@H](C)C(=O)N2CCc3nc[nH]c3C23CCC3)c1 829090823 KPPDEEPHSUATOL-ZDUSSCGKSA-N 325.412 2.986 0 50 EFAA COc1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c(C)c1 829174081 GHEQZIWGZGHYLK-SFHVURJKSA-N 347.455 2.638 0 50 EFAA CCn1nc(C)c(NC(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)c1C 930669174 BKMOQFZWVVYXKZ-ZDUSSCGKSA-N 341.415 2.895 0 50 EFAA CN(C)c1cc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c2ccccc2n1 2100482143 AAQPWWUPCZNORI-IBGZPJMESA-N 347.418 2.990 0 50 EFAA Cc1cnc(Nc2cccc(C(=O)NCC(C)C)c2)nc1N(C)C 2100482749 WMZMAMLTLJXPOY-UHFFFAOYSA-N 327.432 2.980 0 50 EFAA CO[C@@H](CC(C)C)CN1C[C@@H](c2ccc(F)cc2)CS1(=O)=O 2325765074 XKPCUZLPQKOCKH-ZBFHGGJFSA-N 329.437 2.616 0 50 EFAA O=C(O)c1csc([C@@H]2CCCN(Cc3cccn4nccc34)C2)n1 2325773319 JXURNWJOOKEKEZ-CYBMUJFWSA-N 342.424 2.869 0 50 EFAA COc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1OC 118813 YCZIARBRRGJIQX-GOSISDBHSA-N 327.380 2.748 0 50 EFAA C[C@@H](C(=O)Oc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 467538 UMBZKKFQNYSLGG-LBPRGKRZSA-N 346.342 2.825 0 50 EFAA COCc1nnc(NC(=O)c2ccccc2Br)s1 475549 OYDOOYYUPUSBQS-UHFFFAOYSA-N 328.191 2.699 0 50 EFAA O=C(c1cccc(F)c1F)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356136820 LCZOYQRRCXKBRH-GOSISDBHSA-N 334.366 2.724 0 50 EFAA CCOCC(=O)N1CCC[C@]12CCCN(c1ccc(C)cc1)C2=O 2356143911 CIMWOKJYDCNSEG-IBGZPJMESA-N 330.428 2.520 0 50 EFAA O=C(NCc1ccccc1)C(=O)Nc1cccc(Br)c1 2892347 WEZMMIXETFWVED-UHFFFAOYSA-N 333.185 2.704 0 50 EFAA O=C(c1ccncc1F)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356166672 IJZRCVUGHJFAIH-JNAXZKDPSA-N 340.398 2.981 0 50 EFAA COC(=O)CSc1nnc([C@H](C)Oc2ccc(C)cc2C)n1C 6728705 WLASPDKDTWJBIJ-LBPRGKRZSA-N 335.429 2.837 0 50 EFAA COc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 8246520 VDPCPNVBSWYASJ-UHFFFAOYSA-N 328.368 2.779 0 50 EFAA Cn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c(O)c2ccccc21 100472280 AGFQQBNPMVXQEN-UHFFFAOYSA-N 329.743 2.545 0 50 EFAA COc1cc(OC)c(OC)cc1CN1CCC[C@@H](N2CCCC2)C1 20166712 PSJAVFARLIWSHA-MRXNPFEDSA-N 334.460 2.773 0 50 EFAA CCc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)[nH]n1 102538510 RYHSBFBHNVSFKZ-QGZVFWFLSA-N 343.427 2.672 0 50 EFAA O=C(O)/C=C/c1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 102784063 ANBPDQVBHMMILL-SZBGIYDQSA-N 331.755 2.807 0 50 EFAA Cc1ccccc1CN1CCN(CC(=O)NC2CCCCCC2)CC1 20418577 BQIRZJHLEMUUIR-UHFFFAOYSA-N 343.515 2.952 0 50 EFAA Cc1cnn(CCC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 67769935 YSJNSFHIUBBFCL-INIZCTEOSA-N 333.819 2.835 0 50 EFAA CCn1c(C)nnc1SCCNC1CCC2(CCNCC2)CC1 67965515 GJVWUXOHFPPIMU-UHFFFAOYSA-N 337.537 2.601 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 348249664 VEURFCIRIYCGRJ-OALUTQOASA-N 343.398 2.719 0 50 EFAA CN1CC(=O)N([C@H](c2ccccc2)c2nc3ccccc3n2C)C1=O 348875379 XCIMGVKLQITSAS-QGZVFWFLSA-N 334.379 2.557 0 50 EFAA CC(C)c1cc(C2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)[nH]n1 67909431 MKDKHVWSASULPZ-AWEZNQCLSA-N 329.448 2.772 0 50 EFAA C[C@@H](Cc1nc2ccccc2s1)N1CC[C@@H](CN2CCOCC2)C1 229934137 ATVVIBIAKLDNET-HOTGVXAUSA-N 345.512 2.881 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(CN)o1 237679004 MEWNMDJVWKUBLX-YJBOKZPZSA-N 341.455 2.721 0 50 EFAA COc1ccc(C)cc1CCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 127800176 KIYHMVMKAGMOKH-SFHVURJKSA-N 329.371 2.805 0 50 EFAA COc1cc(C(C)=O)ccc1S[C@@H]1CCN(c2cnn(C)c2)C1=O 123463790 FDHROTYHTMLRII-MRXNPFEDSA-N 345.424 2.529 0 50 EFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2C)CC(=O)N1 4913683 GLPHRJSZJYZHPD-MRXNPFEDSA-N 331.412 2.841 0 50 EFAA CC(C)(C)n1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 282431351 FZUQFPJYFGUJBJ-CVEARBPZSA-N 331.391 2.725 0 50 EFAA CC(C)c1nc(CN(C)S(=O)(=O)NCc2ccccc2)cs1 71523727 NPISDXTVCRTJBL-UHFFFAOYSA-N 339.486 2.733 0 50 EFAA COC(=O)CC1(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)CCCC1 253393312 QTXOPFGMLPQQCW-FOIQADDNSA-N 343.423 2.719 0 50 EFAA O=C(CCCc1ccccc1Cl)NC[C@H](CO)c1cccnc1 356488719 PUKHRPFBIAOMNQ-MRXNPFEDSA-N 332.831 2.950 0 50 EFAA CCS(=O)(=O)CCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC 253417427 KCPOPRIAZRSKDK-GOEBONIOSA-N 325.474 2.903 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(CN)cc2)C[C@H](c2ccc(F)cc2)O1 237634656 IPQBLYCZZAGPBF-FZKQIMNGSA-N 328.387 2.887 0 50 EFAA CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccncc2)n[nH]1 366595659 HLMCMPJGLWBFNJ-TZMCWYRMSA-N 329.404 2.791 0 50 EFAA NC[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 155819749 HXHCAFHERXUEHO-ZDUSSCGKSA-N 334.844 2.665 0 50 EFAA Cc1nc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1 72438601 JFMXIJQRVGJWPZ-UHFFFAOYSA-N 326.425 2.838 0 50 EFAA COc1cccc(C[C@@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1 71747442 HBUIORVBTIJJIQ-MRXNPFEDSA-N 331.416 2.645 0 50 EFAA CCOc1cc2nccc(N3C[C@H](OC)C[C@H]3CO)c2cc1OCC 284495514 HSRSIBNLQYKTHS-UONOGXRCSA-N 346.427 2.618 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccncc2)C1 72435941 INXDKACUEVNVDU-INIZCTEOSA-N 340.475 2.580 0 50 EFAA CC1(C)C[C@H](NC(=O)c2cc(C(=O)O)ccn2)c2ccc(F)cc2O1 262964579 AEWLHDXMDUCAHO-AWEZNQCLSA-N 344.342 2.951 0 50 EFAA Cc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 241435127 NKVIHLADNYFRAF-XSLAGTTESA-N 349.496 2.913 0 50 EFAA C[C@@H](Cc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1)C(=O)O 262793057 NKXOMNAMVCWTIN-LBPRGKRZSA-N 341.363 2.860 0 50 EFAA CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 242339145 ZFGXSQLJJMBFFH-QRWLVFNGSA-N 345.439 2.647 0 50 EFAA CCCCn1ccnc1-c1cccc(NC(=O)[C@H]2CCCC(=O)N2)c1 340292356 RLMRWXRMCDZSIG-MRXNPFEDSA-N 340.427 2.957 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCc2nc(Cc3ccccc3F)no2)n1 71762953 GMLZBVGYNDYGNN-ZDUSSCGKSA-N 343.406 2.791 0 50 EFAA CC[C@H](O)CN(Cc1ccccc1)Cc1cc(O)nc(C2CC2)n1 459375259 YRUNNBKKBBRQCP-KRWDZBQOSA-N 327.428 2.833 0 50 EFAA CCCc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[nH]n1 44220912 DCKZDICPEZXXAS-UHFFFAOYSA-N 340.427 2.528 0 50 EFAA CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)OC 17070636 UZMIPOVGNAQELE-UHFFFAOYSA-N 335.429 2.759 0 50 EFAA Cc1ccc2[nH]c(CNC(=O)CCN3C[C@@H]4CC[C@H]3C4)nc2c1C 222977334 ZZEGGBVSBYWHCB-CABCVRRESA-N 326.444 2.670 0 50 EFAA CC[C@H](NC(=O)N1CCC(Oc2cccnc2)CC1)c1cnn(C)c1 426383693 BASYZNRPWSKEMR-KRWDZBQOSA-N 343.431 2.519 0 50 EFAA COc1cccc(CC(=O)N2CCCC[C@H]2CCn2ccnc2)c1 82086580 NCLNHRAXMIQNCX-KRWDZBQOSA-N 327.428 2.906 0 50 EFAA COc1nccnc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 295477314 RWUSYMFNASTURV-OAHLLOKOSA-N 337.782 2.851 0 50 EFAA Cc1ccc2nc(CNC(=O)C3CCN(C(C)C)CC3)[nH]c2c1C 95368071 LQUSIINSXHOWGI-UHFFFAOYSA-N 328.460 2.916 0 50 EFAA O=C(CCc1cc(Cl)no1)N1CCC(CCn2cccn2)CC1 91707949 XXRZNRXYOJTXJC-UHFFFAOYSA-N 336.823 2.786 0 50 EFAA CCN(C(=O)Nc1cccc(OC2CCCC2)c1)[C@H]1COC[C@@H]1O 95528750 CDKAVMXTEGNTFD-IRXDYDNUSA-N 334.416 2.622 0 50 EFAA O=C(c1cnc(C2CC2)nc1)N1CCN(C/C=C/c2ccccc2)CC1 97514913 GYHHNPCCISAIOX-QPJJXVBHSA-N 348.450 2.825 0 50 EFAA COc1cccc2ccc(N3CCC(N4CCC(O)CC4)CC3)nc12 95389154 JZOZWRKSECYAPY-UHFFFAOYSA-N 341.455 2.669 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91746554 JIIASPKUNAQWBN-INIZCTEOSA-N 335.411 2.674 0 50 EFAA CCOC(=O)c1ccc(NC(=O)NCc2cnc(SC)n2C)cc1 97711718 GJPWJGJYVRKALD-UHFFFAOYSA-N 348.428 2.640 0 50 EFAA O=C1N[C@H](C(=O)NCCCn2ccc3ccccc32)Cc2ccccc21 97136928 DLYFTQIYFZODCH-SFHVURJKSA-N 347.418 2.502 0 50 EFAA O=C(NCc1ccc(Cl)cn1)NC1CCN(C2CCCC2)CC1 180877245 WDPUIEYDJIOGTR-UHFFFAOYSA-N 336.867 2.941 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(Cc2ccon2)C1 91966025 COMVMTAPIJPPQH-SFHVURJKSA-N 328.368 2.775 0 50 EFAA CCc1ncc(C(=O)NCc2nn(C)c3cccc(Cl)c23)cn1 95355380 GRCDSQBMOHNDCQ-UHFFFAOYSA-N 329.791 2.509 0 50 EFAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccncc2)no1)C1CC1 244795705 RMCCYSORTKJVLM-UHFFFAOYSA-N 338.415 2.647 0 50 EFAA O=C1N(Cc2ccccc2C(F)(F)F)CCN1C1CCNCC1 263624090 NGVUGOGLHVPVOH-UHFFFAOYSA-N 327.350 2.695 0 50 EFAA Cc1cc2ccccc2n1CCN(C)C(=O)NC[C@H](C)CN(C)C 534660397 WFDCRXZCWHSURS-HNNXBMFYSA-N 330.476 2.789 0 50 EFAA Cc1ccc(OC2CN(C(=O)[C@@H](C(=O)O)C3CCCCC3)C2)cc1 299789157 XNMKNLZGUKWXDY-KRWDZBQOSA-N 331.412 2.866 0 50 EFAA Cc1nc(CCN2CCCCCC2=O)n(C2Cc3ccccc3C2)n1 825273184 FBVGKZRYZWUKHG-UHFFFAOYSA-N 338.455 2.872 0 50 EFAA Cn1ccc2c(-c3n[nH]c(CCN4CCCCCC4=O)n3)cccc21 828263819 UTZYOQYFGVNJFA-UHFFFAOYSA-N 337.427 2.909 0 50 EFAA Cc1nc([C@@H]2CCCCCN2C)n(-c2ccc3c(c2)OCCO3)n1 825273237 GZCZGJFIAGXRTK-HNNXBMFYSA-N 328.416 2.894 0 50 EFAA O=C(CSc1ccccn1)NCCN1CC[C@H](c2ccccc2)C1 670454422 WRMMFLZANKURDR-KRWDZBQOSA-N 341.480 2.779 0 50 EFAA CCCc1sc(C(=O)N2Cc3nc(O)nc(O)c3C2)cc1CC 1875302375 NAKCRZMRWHTMBW-UHFFFAOYSA-N 333.413 2.620 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(Oc3ccncc3)c2)cn1 1875381164 MFJIZFHEFFXTGK-HJPURHCSSA-N 336.395 2.871 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)NS(=O)(=O)Cc1cccnc1 1875283963 JWDFVGJNBNFMBK-UHFFFAOYSA-N 336.413 2.540 0 50 EFAA C[C@@](O)(Cn1cc(-c2cccc(Br)c2)nn1)C(F)F 1875282297 WLQUSUWXKKNDAP-GFCCVEGCSA-N 332.148 2.724 0 50 EFAA CCC(=O)NCC(=O)Nc1ccc(Oc2ccc(OC)cc2)cc1 952868335 KNUGHELVYGPBTK-UHFFFAOYSA-N 328.368 2.952 0 50 EFAA CN1CCC[C@@H](c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)C1 951726558 BKLOIGZNULIVAK-CYBMUJFWSA-N 342.472 2.728 0 50 EFAA CCOc1ccc(OCc2nc(CN)n(Cc3ccccc3)n2)cc1 952979911 PYFQNKITWDBBKJ-UHFFFAOYSA-N 338.411 2.763 0 50 EFAA Cc1cc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)ccn1 890630545 ORXGKCJRJDJNAI-INIZCTEOSA-N 349.228 2.790 0 50 EFAA CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(CN2CCN(C)CC2)s1 1412043643 JIIBHYMNCQJVDA-GOEBONIOSA-N 335.517 2.756 0 50 EFAA Cn1ccc2c(NC(=O)c3ccc4c(c3)OCCO4)cccc2c1=O 1775986195 CNJIUINLUZUFLA-UHFFFAOYSA-N 336.347 2.562 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Nc1nnc(C(F)F)s1 899311499 OJEHGEAVOLEVSI-ZETCQYMHSA-N 334.348 2.727 0 50 EFAA Cc1cc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n2ncnc2n1 270699756 HUOIHICKYIVICG-HOCLYGCPSA-N 344.369 2.568 0 50 EFAA Cc1c(CNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)oc2ccccc12 185662565 XDXZJBLMAWSLIW-CQSZACIVSA-N 347.436 2.572 0 50 EFAA CC(=O)Nc1nc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cs1 276167480 GOFPQYAEAKQPQC-VIFPVBQESA-N 335.351 2.905 0 50 EFAA CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cccc2c1CCC2 170620182 JIKJOCHZNXFDHO-UHFFFAOYSA-N 348.399 2.938 0 50 EFAA CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1F 170676011 KJHHYVWBZVFTPO-HNNXBMFYSA-N 338.379 2.649 0 50 EFAA O=C1NC2(CCOCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 170807805 YZIRXWWFIZTXLW-UHFFFAOYSA-N 336.391 2.955 0 50 EFAA Cc1cccc(N2CCN(C(=O)CCc3ccc(O)nc3)CC2)c1C 279704030 JRFQSDOMSSATDJ-UHFFFAOYSA-N 339.439 2.685 0 50 EFAA C[C@@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1cccc(O)c1 188876974 HMCQMLXYJZPCTJ-MLGOLLRUSA-N 346.456 2.686 0 50 EFAA NC(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)nc1 192171739 COTTWQGMOQEUCV-UHFFFAOYSA-N 332.772 2.696 0 50 EFAA c1ccc(-c2nnc(N3CC[C@@H](OCc4ccncc4)C3)s2)nc1 192902799 YMZDDHKRYGNBAR-CQSZACIVSA-N 339.424 2.791 0 50 EFAA O=C(Nc1cnn(Cc2ccccn2)c1)c1csc(C2CC2)n1 194909620 RUJIPGZCVBNPPB-UHFFFAOYSA-N 325.397 2.913 0 50 EFAA O=C(O)c1cccc(OCCN2CCO[C@H](c3cccc(F)c3)C2)c1 652408606 FJNHOVWJPVZDCA-SFHVURJKSA-N 345.370 2.976 0 50 EFAA Fc1cccc(N2CCC(N3CCN(CC(F)(F)F)CC3)CC2)c1 1258425116 XOBVXCHBHOGZKG-UHFFFAOYSA-N 345.384 2.974 0 50 EFAA CCCn1nc(C)cc1NC(=O)[C@H](CC)N1Cc2ccccc2C1=O 1506419012 VOJXOWGOHWNKEM-INIZCTEOSA-N 340.427 2.975 0 50 EFAA Cc1ccc(NCCCNc2ncc(F)c(N3CCCC3)n2)nc1 1529103904 HRXSKNVCBYNHFN-UHFFFAOYSA-N 330.411 2.833 0 50 EFAA Cn1nc2c(c1NC(=O)c1ccc(-n3ccnc3)cc1)CSC2 1529133747 GCJRCUUDHOIFQN-UHFFFAOYSA-N 325.397 2.605 0 50 EFAA CCc1cc(NC[C@H](C)Oc2cccnc2)nc(N2CCCC2)n1 1529159453 QZMPHBRDNXJCGP-AWEZNQCLSA-N 327.432 2.914 0 50 EFAA COc1ccc(Br)cc1CNC(=O)CCCCC(=O)O 263318255 QRZMRKGVGVLGCH-UHFFFAOYSA-N 344.205 2.719 0 50 EFAA O=C(c1scc2c1CCCC2)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615964406 GAEQKXQCRRQYHO-RDJZCZTQSA-N 346.496 2.562 0 50 EFAA COCCOc1ccc(C(=O)Oc2cccc(C(=O)OC)c2)cc1 12138045 DRUFGNPSBQSKES-UHFFFAOYSA-N 330.336 2.718 0 50 EFAA COc1ccc(CCN2CCC(CN(C)C[C@H]3CCOC3)CC2)cc1 12192811 PCCKTTNQGHNRKB-HXUWFJFHSA-N 346.515 2.918 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CCC=Cc2ccccc2)C1 1857528903 RAIJVELSADNGIL-SJORKVTESA-N 340.427 2.895 0 50 EFAA CCc1ccc2nc(N3C[C@@H]4CCOC[C@]4(CO)C3)cc(C)c2c1 1857669302 VKLXSNGJBBORSX-OXJNMPFZSA-N 326.440 2.941 0 50 EFAA Cc1nc(N2CCC[C@@H](c3nnc4ccccn34)C2)c2[nH]ccc2n1 1857686214 LWQDAUCFKFHINW-CYBMUJFWSA-N 333.399 2.693 0 50 EFAA Cc1c(CNC(=O)[C@H]2CC[C@H]3OCCN[C@@H]3C2)oc2ccccc12 1857730694 YYBRDDFSAMMYOR-YSVLISHTSA-N 328.412 2.515 0 50 EFAA C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C1CCCC1 821324824 BJCVICQZEHEEKL-IMJJTQAJSA-N 326.481 2.773 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c(OC)ccc(F)c1F 1875243564 MNSXBGYYQBERPC-DKRRZFASSA-N 339.338 2.831 0 50 EFAA Cc1cccc2nc(C3CCN(Cc4nnnn4C4CC4)CC3)oc12 328602850 HHDBWSFXARFPBH-UHFFFAOYSA-N 338.415 2.837 0 50 EFAA O=C(O)CCc1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 124784917 MGZCQCPRPWPWNR-KRWDZBQOSA-N 338.363 2.836 0 50 EFAA COc1ccc(S(=O)(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)cn1 331294058 XXQKOXBBFCRMFW-GDBMZVCRSA-N 346.452 2.965 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2csc(CCc3ccccc3)n2)C1 136164964 IRGVRXCPFLHGCZ-AWEZNQCLSA-N 344.436 2.865 0 50 EFAA C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCCCF)CC1 252497685 QMYKBHQXNZAMOU-OAHLLOKOSA-N 339.430 2.910 0 50 EFAA O=C(NCc1ccnc(OC2CCCC2)c1)N[C@@H]1CCO[C@@H]1C1CC1 253397645 DSKZBRNKTPGEPA-SJLPKXTDSA-N 345.443 2.770 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)cc1F 366803108 CDCPZDZXEYZUCO-HNNXBMFYSA-N 336.407 2.792 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2ccc([C@@H](C)C(=O)O)cc2)n1 262819374 ARNHYTNAOIYHCO-LLVKDONJSA-N 331.372 2.952 0 50 EFAA CC(C)n1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)n1 264930010 VRFULLFFGQWUKQ-UHFFFAOYSA-N 340.471 2.901 0 50 EFAA CCn1c(NC(=O)c2ccc(C(C)C)nc2O)nc2cccnc21 820448319 UUKKKUTVIMUKLO-UHFFFAOYSA-N 325.372 2.928 0 50 EFAA COc1ccc(CCNC(=O)[C@@H]2OCCc3ccccc32)cc1OC 528975 UNAPRPDBOFYNGL-LJQANCHMSA-N 341.407 2.677 0 50 EFAA biogenic Cc1nccn1CC(=O)Nc1cnn(C)c1-c1ccc(F)cc1F 2325860830 WKODIXOHCJXVTM-UHFFFAOYSA-N 331.326 2.509 0 50 EFAA O=C(c1ccsc1C(F)F)N1CCC[C@@H](Cn2cncn2)C1 933240009 SNCKXTPKWODTFU-SNVBAGLBSA-N 326.372 2.830 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101702659 OBBPNWZEIUKAPI-UGQVUOCMSA-N 343.379 2.715 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1 221657 IVRCYHXRMQLYPC-UHFFFAOYSA-N 342.380 2.871 0 50 EFAA CC(C)C(=O)N1CCN(c2ccccc2NC(=O)C(C)(C)C)CC1 812012 HKPBHHZMOSWHQU-UHFFFAOYSA-N 331.460 2.976 0 50 EFAA c1ccc(-c2ncc3c(n2)CN(Cc2ccn4ncnc4c2)C3)cc1 2356152023 MYDRJXULLQYKNH-UHFFFAOYSA-N 328.379 2.702 0 50 EFAA Cc1cccc(N(CCCC(=O)N2CCCCC2)S(C)(=O)=O)c1 4988613 QOEPDDPXNCFQEF-UHFFFAOYSA-N 338.473 2.554 0 50 EFAA COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)cc1OC 6742249 IGPCJVJBACPIDN-JKGUZNAFSA-N 333.384 2.779 0 50 EFAA CCc1nn(-c2ccccc2)c(NC(=O)c2ccc(C)[nH]c2=O)c1C 55182928 YJRBZQMXJLYPRQ-UHFFFAOYSA-N 336.395 2.992 0 50 EFAA O=C(COc1ccccc1F)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225680148 MYVKCCIMVKYIST-GDBMZVCRSA-N 333.334 2.678 0 50 EFAA COCCOc1cccc(NC(=O)COc2ccc(OC)cc2)c1 10155124 LWYAFHQKROSBHP-UHFFFAOYSA-N 331.368 2.738 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 10302079 VWXPBWLWIOCUSO-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA CC(C)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10330668 UQUDKSXUFIKCFG-UHFFFAOYSA-N 332.425 2.873 0 50 EFAA CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 8234691 ZPMMJBFDWQYRSS-NSHDSACASA-N 336.461 2.610 0 50 EFAA CCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21 100453912 NQLWUPNWOLNOIY-UHFFFAOYSA-N 338.363 2.988 0 50 EFAA O=C([C@H]1CCOC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67909021 KBRPDJYTFUJLGY-KRWDZBQOSA-N 339.439 2.743 0 50 EFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)CSc1ccncc1 67688638 IBBLVQXWOXCGER-HNNXBMFYSA-N 327.453 2.911 0 50 EFAA C[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21 67846727 UNTAHJMUDLJQFN-ZDUSSCGKSA-N 325.416 2.913 0 50 EFAA COc1cccc([C@@H]2CC(=O)NCc3nc4sccn4c32)c1OC 65372576 GNWFWFHMYFWEBH-NSHDSACASA-N 343.408 2.565 0 50 EFAA CC(=O)Nc1cccc(-n2c(COCC(=O)O)nc3ccccc32)c1 67789158 NAOZNSXRPBCKLE-UHFFFAOYSA-N 339.351 2.585 0 50 EFAA Oc1cccc(-c2cn(CC3(N4CCOCC4)CCCCC3)nn2)c1 67604856 MVXLITZDHUBOHL-UHFFFAOYSA-N 342.443 2.686 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cscn1 328628069 GXJYKFYBERZLMD-RYUDHWBXSA-N 339.461 2.889 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2cccn2)C1 229422645 UNFJDQAOWYGITQ-RTBURBONSA-N 338.455 2.711 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 360644666 XEBCZEZTFWPYGJ-MOEXGYKKSA-N 332.407 2.998 0 50 EFAA CCn1ccnc1C(=O)NC1CCC(O)(c2cccc(F)c2)CC1 365858289 CDCNCMNQFIATFU-UHFFFAOYSA-N 331.391 2.602 0 50 EFAA Cc1cc(-n2cccn2)ccc1CN1CCC[C@]2(C1)CN(C)C(=O)O2 72462554 FPCFCTBZYHFZGY-LJQANCHMSA-N 340.427 2.597 0 50 EFAA CN1C[C@@]2(CCN(C(=O)c3cc4c(s3)CCCCC4)C2)OC1=O 72128201 HXBMYJIFAJXEAU-QGZVFWFLSA-N 334.441 2.684 0 50 EFAA CCn1cc(Cl)c(C(=O)NCc2cccc(-n3cccn3)c2)n1 215055044 NJMNUNBPWYLNJU-UHFFFAOYSA-N 329.791 2.672 0 50 EFAA O=C(c1cccc(CO)c1)N1CCC[C@H]1CN1CCc2ccccc21 365874813 GKPMEAWCZNMJCJ-IBGZPJMESA-N 336.435 2.846 0 50 EFAA O=C(NCCCNC(=O)C1CCC1)Nc1ccc2ncsc2c1 155391541 LGSFXXBAHZZBOU-UHFFFAOYSA-N 332.429 2.724 0 50 EFAA Cc1cc(N2CCN(c3ccc(Cl)cn3)CC2)n2nc(C)cc2n1 72419680 QSOOUCGTMFIVKK-UHFFFAOYSA-N 342.834 2.721 0 50 EFAA CC(C)c1ccc(S(=O)(=O)Nc2nncn2-c2cccnc2)cc1 368010193 ZEPZXFXKTSQSET-UHFFFAOYSA-N 343.412 2.587 0 50 EFAA O=C(NCc1ccccc1CN1CCCC1)N[C@@H]1CCO[C@@H]1C1CC1 371216494 SWZFOXPNALJIAG-RTBURBONSA-N 343.471 2.649 0 50 EFAA CCc1nc(Cn2ccnc2-c2ccccc2Cn2cccn2)no1 71759632 FJZVMTHBHHXTLK-UHFFFAOYSA-N 334.383 2.789 0 50 EFAA CNC[C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 158938746 SAJVYXCSLSWXKY-IEBWSBKVSA-N 347.478 2.638 0 50 EFAA O=C(O)c1coc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 262357430 HVUVCEXWJUFLHE-AWEZNQCLSA-N 331.324 2.788 0 50 EFAA C[C@H]1CN(C(=O)c2cc3nccc(-c4cccs4)n3n2)C[C@@H](C)O1 13644406 SDCYLURWWDQHHJ-TXEJJXNPSA-N 342.424 2.707 0 50 EFAA CSc1nc(C(=O)NCC[C@H]2COc3ccccc3O2)cs1 215567864 BEORPZCLPFXGMK-JTQLQIEISA-N 336.438 2.825 0 50 EFAA O=C(NCCCn1nnc2ccccc21)c1cc(-c2ccccc2)on1 77487471 UZXHPFYPTVFEDM-UHFFFAOYSA-N 347.378 2.906 0 50 EFAA Cc1ccc(C2(C(=O)N[C@H](C)c3cnn(C)c3)CCOCC2)cc1 158850325 DQGLDCZOWHRKTN-OAHLLOKOSA-N 327.428 2.654 0 50 EFAA COCc1nc(C)c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)s1 128557184 JCSFMVGEJKURNG-OAHLLOKOSA-N 345.468 2.727 0 50 EFAA CN1CCC(Oc2ccc(NCc3c(Cl)cnn3C)cn2)CC1 128813745 VXWODNRAHFXTBN-UHFFFAOYSA-N 335.839 2.554 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccoc2)no1 237983126 XTZPXXAEDMVABZ-CYBMUJFWSA-N 347.371 2.508 0 50 EFAA CC(C)N1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O 20587276 TVQMXOFMISMCFL-ZDUSSCGKSA-N 327.384 2.572 0 50 EFAA Cc1cnc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)s1 177951529 MNKJJWPICPEOKK-QWHCGFSZSA-N 347.440 2.917 0 50 EFAA C[C@H]1CN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CCCO1 179228220 DXEKECRPPSVTPR-KGLIPLIRSA-N 344.415 2.661 0 50 EFAA CSCC[C@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 132188705 UQFXZVNRIHNPDA-CYBMUJFWSA-N 332.469 2.891 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 229219228 VACMNZQAVYAYNP-ZIAGYGMSSA-N 332.473 2.870 0 50 EFAA CCc1ccccc1OC1CN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 97744765 HUIJIHUYFAZUNQ-UHFFFAOYSA-N 348.406 2.938 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1oc2cc(C)ccc2c1C 92061952 SYMGFNDPTSALCE-RDJZCZTQSA-N 330.428 2.887 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c(C)n1Cc1ccccc1 237704505 YRZNYOFPTWFNGV-MRXNPFEDSA-N 326.396 2.700 0 50 EFAA Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](CO)c2ccccc21 294041418 YGAARFHOOVZKBW-LBPRGKRZSA-N 335.354 2.560 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3cccnc3)c(=O)[nH]2)cc1 92046240 ISCUJUXKAMDSGZ-CQSZACIVSA-N 348.406 2.974 0 50 EFAA O=C1CC[C@@]2(CCOC2)CN1CCc1csc(-c2cccnc2)n1 91350988 SJEIOLHRELIQNS-GOSISDBHSA-N 343.452 2.777 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1cc(N3CCCC3)cnn1)C2 91849087 OTUGNHUOMGPWRL-CQSZACIVSA-N 325.412 2.879 0 50 EFAA CCCc1cc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)n[nH]1 95500817 DNOKKJKZQZZUSD-UHFFFAOYSA-N 335.411 2.951 0 50 EFAA C[C@H](Cc1nc(CC2CCN(C)CC2)nn1CCO)c1ccccc1 96161850 CGPYLTPTWJBRIH-MRXNPFEDSA-N 342.487 2.501 0 50 EFAA O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCCC[C@@H]1c1cn[nH]c1 183467161 BJCPLBBLMNJOLN-JKSUJKDBSA-N 348.447 2.722 0 50 EFAA COC(=O)c1coc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 183722707 OBFOSYRGBWGFHO-MEDUHNTESA-N 347.342 2.808 0 50 EFAA C[C@H](NC(=O)c1cc(C(C)(C)C)nc(O)n1)c1cn2ccsc2n1 299795419 LQQBMKUCPAVVQH-VIFPVBQESA-N 345.428 2.680 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc(Cl)c2)CN1C(C)C 39543494 ZMQHQRHDNPYIQU-SJORKVTESA-N 337.895 2.806 0 50 EFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3cncs3)O2)CC1 299764066 KAFAZFAUEHCDEB-HNNXBMFYSA-N 349.500 2.853 0 50 EFAA COc1cc(C)ccc1C(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 824539549 OIPKNLZGZIOSHV-UHFFFAOYSA-N 342.395 2.966 0 50 EFAA CC(C)(O)Cn1nc(COc2ccccc2)nc1[C@H]1CC[C@@H](O)CC1 828865280 JYAUHLLBSQDYSS-GASCZTMLSA-N 345.443 2.647 0 50 EFAA COc1cccc2c(=O)n(Cc3c(C)nn(C(C)C)c3C)cnc12 584888873 QSYDYQUTDJXJSF-UHFFFAOYSA-N 326.400 2.848 0 50 EFAA O=C(O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1c(Cl)n[nH]c1C1CC1 869905153 JZSUEMFNVVLKKR-HBNTYKKESA-N 337.807 2.545 0 50 EFAA CN1C[C@@H](C(=O)Nc2cccc3c(O)nccc23)[C@@H](C(F)(F)F)C1 1875283770 FKBWCOKAUMBZIJ-NEPJUHHUSA-N 339.317 2.619 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H](F)c1ccc(F)cc1 1875280573 XNLPVRHZRFAONO-DLBZAZTESA-N 344.361 2.754 0 50 EFAA c1ccc(-n2nnc3ccccc32)c(CNC2C[C@H]3COC[C@@H]3C2)c1 1875299027 WDWFDNRPIRSJHC-HOTGVXAUSA-N 334.423 2.935 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1ccnn1CC1CCC1 1875304195 CVXCIXNYMZCNLA-UHFFFAOYSA-N 331.416 2.591 0 50 EFAA O=C(O)c1ccc(O)cc1NS(=O)(=O)c1ccc(Cl)s1 1875355668 DOOKDQLJGFBEHH-UHFFFAOYSA-N 333.774 2.606 0 50 EFAA O=C(C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1)N[C@@H]1CC[C@H]2COCC[C@H]2C1 1875340978 BERZXJQNOHJGMI-ZBLLQYKHSA-N 334.504 2.724 0 50 EFAA CC(C)c1c[nH]nc1CNC(=O)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 1875301543 MLGXNUIHUNWDEF-GWCFXTLKSA-N 348.369 2.784 0 50 EFAA O=S(=O)(C[C@H]1CCCCO1)Nc1ccc2n[nH]cc2c1Cl 1775991969 IBXQETHZHJUSJY-SECBINFHSA-N 329.809 2.527 0 50 EFAA COc1cc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)ccc1Cl 1775959433 WKFRTVLXNOJBSX-ZYHUDNBSSA-N 340.807 2.601 0 50 EFAA C[C@H](NC(=O)c1coc(C2CCC2)n1)c1nc(C(F)(F)F)n[nH]1 1434394651 YUOJPVYIJOBJMB-LURJTMIESA-N 329.282 2.570 0 50 EFAA Cc1n[nH]cc1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 408514716 TVTZRQNMZYPVAQ-CYBMUJFWSA-N 328.199 2.878 0 50 EFAA Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1C 272461300 KUZSOSOCNNLEJB-LLVKDONJSA-N 336.798 2.828 0 50 EFAA Cc1cc(NC(=O)C[C@@H]2CCCC(=O)N2)n(-c2cccc(Cl)c2)n1 673454204 PZTKMIFRYJQFEE-ZDUSSCGKSA-N 346.818 2.831 0 50 EFAA C[C@@H]1c2ccc(F)cc2CCN1C(=O)N[C@H]1CCc2c[nH]nc2C1 675204672 QXYLYBSUMWEAHJ-ABAIWWIYSA-N 328.391 2.735 0 50 EFAA O=C1NCC[C@@H]1N1CCC(COc2ccccc2C(F)(F)F)CC1 187841993 ONIIEPZFBRQBRJ-AWEZNQCLSA-N 342.361 2.685 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccncc1OCC(F)(F)F 281037429 DZRXEXYVYPBNJL-OLZOCXBDSA-N 346.349 2.844 0 50 EFAA O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(F)cc1Br 190354224 OTLHZHPDGVGGQJ-UHFFFAOYSA-N 339.168 2.516 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643888265 CWZGYPFOPPGNNT-CQSZACIVSA-N 341.415 2.694 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)N2CCSC[C@@H](C)C2)cc1 192188092 QWLHDADJKRDFPB-LBPRGKRZSA-N 342.486 2.697 0 50 EFAA COc1ccc(Br)cc1[S@@](=O)CCCc1cn[nH]c1 194569178 VFPGCZHYCCKUSE-IBGZPJMESA-N 343.246 2.921 0 50 EFAA C[C@H](COc1cccc(F)c1)NCc1n[nH]cc1Br 1857531677 WXXFWVPVMHCFDJ-SECBINFHSA-N 328.185 2.868 0 50 EFAA Cn1ccnc1CCN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 1529141515 MHPPONMOEDGTBU-VQTJNVASSA-N 335.451 2.966 0 50 EFAA CC(C)N1C[C@H](CN2CCN(c3ccccc3F)CC2)CCC1=O 1772804523 AGZDIFXHAZIOKS-INIZCTEOSA-N 333.451 2.595 0 50 EFAA CN1CCC(CC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)CC1 12593566 IKZVAEHPADMQHH-LJQANCHMSA-N 335.536 2.879 0 50 EFAA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccccn2)CC1 13325971 RATFCELFOMTGGF-UHFFFAOYSA-N 337.757 2.976 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccco1 16319460 VQBWJEFMFCFDJH-UHFFFAOYSA-N 334.759 2.658 0 50 EFAA Cc1nc(-c2nccn2-c2ccc(N3CCOCC3)c(F)c2)cn1C 1857716784 FAXZJLJCMOMJAO-UHFFFAOYSA-N 341.390 2.557 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(c3ncccc3C(F)(F)F)C[C@]23CC[C@H]1O3 1857741141 DTUCPCVUDFLMCM-ADSMDIBLSA-N 341.377 2.646 0 50 EFAA CCOC[C@H](O)CN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 221944814 AVEUURGHXAERNU-IAGOWNOFSA-N 329.444 2.654 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O 2539203 FDNMLANBNJDIRG-LBPRGKRZSA-N 329.393 2.620 0 50 EFAA in-vitro CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)c2C)cn1 119188592 CGFACTLDBJNOTF-QGZVFWFLSA-N 340.427 2.822 0 50 EFAA CCC(=O)N1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 122970775 IJCDQBANYQXVRH-YJBOKZPZSA-N 326.396 2.744 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 241124304 JHCPKGGXPHUXQJ-MROQNXINSA-N 332.366 2.577 0 50 EFAA Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 252005088 OFSPPSISDAYPQK-IRXDYDNUSA-N 325.412 2.720 0 50 EFAA Fc1cccc2c(NCc3cccnc3N3CCOCC3)ncnc12 252485472 GWDLLBVQKHZNER-UHFFFAOYSA-N 339.374 2.613 0 50 EFAA O=C(CC1(C(=O)O)CCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 262426375 BCSCKORKVUSTDT-AWEZNQCLSA-N 345.395 2.766 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(C(F)F)[nH]n3)C1)CC2 1704308421 QWNWYQXOCZQORC-KRWDZBQOSA-N 347.369 2.566 0 50 EFAA COCC[C@H]1COCCN1C(=O)c1nc2ccccc2cc1C1CC1 905720154 QSSMOJGZKORTPL-INIZCTEOSA-N 340.423 2.990 0 50 EFAA CN(CC1CCCCC1)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 912231070 TZUSEPHXIIBRSP-INIZCTEOSA-N 329.444 2.551 0 50 EFAA CCc1nc(O)c(C(=O)N2CCC[C@H]2c2cn(C)nc2C)cc1C 934650818 PJUFXAVVCPQRAR-INIZCTEOSA-N 328.416 2.677 0 50 EFAA O=C(NCCO)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 4772587 VCUNMGCJZZMCQR-UHFFFAOYSA-N 342.782 2.551 0 50 EFAA NC[C@@H](Nc1cc(-n2ccnc2)ncn1)c1ccc2ccccc2c1 2325795198 ORWXLGWGYPBJIJ-QGZVFWFLSA-N 330.395 2.927 0 50 EFAA Cc1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 2325859895 OSVGJXIUZCEBPO-OAHLLOKOSA-N 348.406 2.941 0 50 EFAA CO[C@@H]1CCC[C@H](NCCNc2nccc(C(F)(F)F)n2)CC1 885994039 BEZQKRYVBCYVLK-NWDGAFQWSA-N 332.370 2.845 0 50 EFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 245289742 DUOAKGFNNSMCCK-IAOVAPTHSA-N 341.411 2.629 0 50 EFAA NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 72435 NEQVAYPFPXEEMP-UHFFFAOYSA-N 345.811 2.617 0 50 EFAA CCOc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 366634 IQLSPVDXOZXXLJ-UHFFFAOYSA-N 334.397 2.709 0 50 EFAA Cc1ncsc1CN1CCc2nc(-c3ccccc3)nn2CC1 2356149718 SGPKURLJIXTLFE-UHFFFAOYSA-N 325.441 2.768 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2Cc3ccccc3CN2C)c1C 65384678 OTVXMKMCKJOVIB-KRWDZBQOSA-N 339.439 2.621 0 50 EFAA Nc1nc2c(s1)CN(C(=O)CCc1c[nH]c3ccccc13)CC2 67982200 SUVCFAJFPLGCPK-UHFFFAOYSA-N 326.425 2.724 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 136148686 IRQZGOSAQLNICO-LBPRGKRZSA-N 348.786 2.861 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)COc1ccc(C(F)(F)F)cc1 136481029 AKWAWWYRXCVZJZ-LBPRGKRZSA-N 331.290 2.550 0 50 EFAA O=C(NCC1CCN(Cc2c[nH]cn2)CC1)c1cccc2ncccc12 67472814 VKTLNSNRADXZKW-UHFFFAOYSA-N 349.438 2.600 0 50 EFAA C[C@H](COc1ccc2ccc(=O)oc2c1)NCc1cn2ccccc2n1 67712910 VAWWXLJNYGCIKW-CQSZACIVSA-N 349.390 2.998 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1)c1cncnc1 67886586 ODXDDZIHAHOFBG-OAHLLOKOSA-N 349.438 2.600 0 50 EFAA C[C@@H]1C[C@H](c2ccsc2)CN1[C@H]1CCCN(c2cnn(C)c2)C1=O 252512212 OCRJSZPLSYKLRB-KMFMINBZSA-N 344.484 2.855 0 50 EFAA O=C(N[C@H]1CCc2[nH]ncc2C1)N(Cc1ccccc1)CC(F)F 121895909 HNIHYSOYAGJATD-AWEZNQCLSA-N 334.370 2.744 0 50 EFAA C[C@@H](c1n[nH]c(=O)n1Cc1ccc(Cl)cc1Cl)n1cccn1 65408625 HYPKITHKAGWEIL-VIFPVBQESA-N 338.198 2.732 0 50 EFAA O=C(c1ccoc1)N1CCCN(C2CCC3(CCNCC3)CC2)CC1 67756920 ABKUTENFXKVWSL-UHFFFAOYSA-N 345.487 2.740 0 50 EFAA COc1ccc(OC)c(C(=O)N2CCc3c(cccc3C(=O)O)C2)c1 328426567 UGDVGHCQORQQDG-UHFFFAOYSA-N 341.363 2.601 0 50 EFAA COc1cccc(C2=NO[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 4111667 SROVOWKANHXQDM-KRWDZBQOSA-N 328.343 2.644 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 282024646 ALTYMUDKDOUQQK-GOSISDBHSA-N 347.846 2.740 0 50 EFAA CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S 5679288 SUQXVXZIPDXCSQ-QMMMGPOBSA-N 346.865 2.653 0 50 EFAA CC(C)[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)N1C[C@H](C)O[C@H](C)C1 332355542 PROXYISROJGBMD-BFQNTYOBSA-N 348.422 2.774 0 50 EFAA Cn1ccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1=O 479355785 WUVBPNSFBGXBDL-KRWDZBQOSA-N 326.371 2.890 0 50 EFAA CCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219305490 YVLQVTUHTNFGHL-IAGOWNOFSA-N 344.411 2.650 0 50 EFAA C[C@@H]1CCCN(C(=O)c2csc(Br)c2)[C@H]1C(=O)O 235293603 FSHSPOXMOATLBF-GMSGAONNSA-N 332.219 2.836 0 50 EFAA CCN(CC)C(=O)CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 72162261 WMUZGBYXWIKUPY-CQSZACIVSA-N 325.403 2.710 0 50 EFAA OC1(CSc2nnc(NCc3ccccc3)s2)CCOCC1 152785985 SHIDYQXJEVYHBX-UHFFFAOYSA-N 337.470 2.784 0 50 EFAA CC(C)c1c(Nc2nc(O)c3cnn(C)c3n2)cnn1-c1ccccc1 362954723 NAFUHDMZOMKFPZ-UHFFFAOYSA-N 349.398 3.122 0 50 EFAA COCc1ccc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1 215434197 AMLFRUJOEIATSY-UHFFFAOYSA-N 346.452 2.722 0 50 EFAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 366893191 OQISHJGEPWAMMI-INIZCTEOSA-N 336.399 2.573 0 50 EFAA O=C(Cc1ccc(-n2cccn2)cc1)NCCc1nc2ccccc2[nH]1 340706320 ZDWGOGIFQRTTCO-UHFFFAOYSA-N 345.406 2.650 0 50 EFAA CN(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 237284924 OVRTXQFJNMLFAA-FQEVSTJZSA-N 337.467 2.684 0 50 EFAA COc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)cc1OC 262309349 YSZSVCIWJDZVNA-OAHLLOKOSA-N 341.363 2.528 0 50 EFAA COc1cccc2ccc(-c3nccn3CCn3cc(C)nn3)nc12 77406034 PGGSWKQUQKHPDY-UHFFFAOYSA-N 334.383 2.707 0 50 EFAA Cc1cccc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)n1 77470169 ACPMVBJJPMILLT-UHFFFAOYSA-N 347.422 2.538 0 50 EFAA COC(=O)[C@@H]1CC12CCN(C(=O)Nc1cnc(C(C)(C)C)nc1)CC2 241409012 NDVCBPZNKNZVAS-ZDUSSCGKSA-N 346.431 2.581 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H]1CCO[C@@H]1c1ccccc1 241739100 QZYZUKMRZPRQCS-XMTFNYHQSA-N 337.485 2.710 0 50 EFAA COC[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(C)c23)CC(C)(C)O1 338088068 DZBOEGQGDKRLRN-HNNXBMFYSA-N 330.428 2.671 0 50 EFAA COCCCN1C(=O)CC[C@H]2CN(c3nc4ccccc4o3)CC[C@H]21 72438658 UMSBPMYGXMZOPJ-GOEBONIOSA-N 343.427 2.682 0 50 EFAA Cc1nc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 77337845 OIJRTCSLKKBCHY-GOSISDBHSA-N 334.464 2.629 0 50 EFAA C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 17071367 DMOPVAZAUODJFO-SECBINFHSA-N 341.335 2.733 0 50 EFAA CC(C)c1ccc([C@@H](C)NC(=O)N(CCO)Cc2nccn2C)cc1 426628797 QVZHQWBBCDURMS-OAHLLOKOSA-N 344.459 2.809 0 50 EFAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)NC1(CO)CCCC1 426555472 IPZXMEGXFQDXRL-QGZVFWFLSA-N 343.402 2.914 0 50 EFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H](CN)C1 178529644 GOEFBEGYGKFIFC-LLVKDONJSA-N 341.249 2.657 0 50 EFAA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3cnccc3C)cc2)C1 426396638 PNRYIVXIUGABOG-SFHVURJKSA-N 337.423 2.798 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(C)cc3O)CC2=O)cc1 82107691 LKNYXRXGNIODRX-OAHLLOKOSA-N 338.407 2.887 0 50 EFAA Cc1ccc(OCCN(C)C(=O)N[C@@H](C)CCn2cccn2)c(C)c1 426489879 HSWCUXDYDHYOHZ-KRWDZBQOSA-N 344.459 2.999 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CCc2c(C)nn(C)c2C)c1 82157728 ACXWRIOLQHFPPM-CQSZACIVSA-N 328.460 2.763 0 50 EFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1O 179638635 XTULYDMHANZDFD-LBPRGKRZSA-N 325.796 2.567 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(-n2cnnc2)c1 96152001 HTHUGTGWIKFKRM-MRXNPFEDSA-N 329.404 2.690 0 50 EFAA CN(Cc1ccc2nonc2c1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 97729497 KSRAQPJRPITEJC-UHFFFAOYSA-N 349.350 2.591 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N1CCCN(Cc2cccc(F)c2)CC1 91756835 TUBPBBHKSUAOEE-LJQANCHMSA-N 347.478 2.734 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1cc(C)ccc1OCC(N)=O)C2 91770124 MWVADRVHMRTQHV-CQSZACIVSA-N 341.407 2.662 0 50 EFAA Cc1cc(C)c(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)cn1 95363352 SWDHOPIXWPINIV-UHFFFAOYSA-N 343.471 2.743 0 50 EFAA C[C@H]1Cc2cc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)ccc2O1 96138390 JZFSGIRZPVGCFI-NSHDSACASA-N 326.400 2.886 0 50 EFAA CN(CCC(=O)Nc1cccnc1)Cc1n[nH]c2c1CCCCC2 244734315 NDFLHYBHZZMNDA-UHFFFAOYSA-N 327.432 2.534 0 50 EFAA C[C@H](CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)Oc1ccc(F)cc1 183042195 JNILSUZQRDYLER-KCXAZCMYSA-N 329.437 2.538 0 50 EFAA CCc1noc(CN(CC)CCC(=O)Nc2ccc3c(c2)CCC3)n1 244715900 LEGKUEUQISRBTR-UHFFFAOYSA-N 342.443 2.971 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCc1nc(C2CC2)no1 299746971 BQBKFTVBHVFMMR-RDBSUJKOSA-N 347.415 2.514 0 50 EFAA O=C(CCc1cn2ccccc2n1)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 252536782 JOIUEFGXHMTMDG-MDKPJZGXSA-N 349.434 2.895 0 50 EFAA COc1cccc(CN(C)CCC(=O)Nc2ccsc2C(=O)O)c1 299799163 DPZXMKNWDIKUDT-UHFFFAOYSA-N 348.424 2.916 0 50 EFAA Cc1c(NC(=O)c2cccc3nccnc23)cccc1C(=O)N(C)C 823639162 TYVSVBHTKMLTQK-UHFFFAOYSA-N 334.379 2.892 0 50 EFAA Cc1ncc(-c2nc(CCC(C)C)nn2CC(F)(F)F)c(O)n1 821175225 RSLRPIUYDOHVNS-UHFFFAOYSA-N 329.326 2.900 0 50 EFAA Cc1noc(C)c1CC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 827846868 DLLQJLBHRUGRIN-HNNXBMFYSA-N 347.484 2.924 0 50 EFAA Cc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)c2ccsc2n1 584885653 JFBPLKRQSVFKJV-CQSZACIVSA-N 338.436 2.840 0 50 EFAA C[C@@H]1O[C@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@H]2[C@@H]1O 584904269 GUBBGFQZZOLTHG-USRVPUAWSA-N 342.391 2.792 0 50 EFAA CCOC(=O)N1CCC(N[C@@H](Cn2cccn2)c2ccccc2)CC1 584893926 SOMMQIIDESGZNE-SFHVURJKSA-N 342.443 2.835 0 50 EFAA O=C1NCc2c1cccc2C(=O)OCc1nc2c(F)cccc2o1 1875360123 ZHHCNFQACRSPHX-UHFFFAOYSA-N 326.283 2.567 0 50 EFAA N[C@@H]1CN(C(=O)C[C@H](c2ccccc2)c2ncc[nH]2)C[C@H]1CC1CC1 1875315382 RYNUWMJPKYBYAD-KZNAEPCWSA-N 338.455 2.518 0 50 EFAA O=C(NC[C@@H]1C[C@H]2OCC[C@H]2O1)c1cc(-n2cccc2)ccc1Cl 1875308430 GCSOIJAZQVOKMI-IAOVAPTHSA-N 346.814 2.807 0 50 EFAA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)c1ccccc1 952991585 BETGYUHDZWZTJI-LBPRGKRZSA-N 338.333 2.675 0 50 EFAA Cc1cccn2c(CC(=O)Nc3ccc4nc([C@H](C)O)[nH]c4c3)cnc12 952975654 WSCTWYFUPFHJAD-LBPRGKRZSA-N 349.394 2.754 0 50 EFAA CC[C@H](C(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1)n1cccc1 952983345 PAMNAHXNOGUIJU-QGZVFWFLSA-N 342.443 2.886 0 50 EFAA O=C(NCc1cccc2c1OCCO2)N[C@H]1CCc2c(O)cccc21 893249738 SAEIYEKLVYWQNR-HNNXBMFYSA-N 340.379 2.650 0 50 EFAA CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc2n(n1)CCCC2 1775993811 LEGZWGVLKUIDGU-KGLIPLIRSA-N 348.447 2.851 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)C[C@@]2(C)CC2(Cl)Cl)s1 408488724 ZYTZSIBRUZAOOH-JTQLQIEISA-N 342.269 2.835 0 50 EFAA CN(Cc1ncccn1)[C@H]1CCN(c2nc3ccccc3s2)C1 275751048 QFQPFNRWDKVQSY-ZDUSSCGKSA-N 325.441 2.797 0 50 EFAA Cc1nc(CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)co1 408523287 IOCOWCJHCPVHSE-INIZCTEOSA-N 328.416 2.632 0 50 EFAA O=C(Nc1ccc(O)cc1)Nc1cccn(CC(F)(F)F)c1=O 186623254 IXWPWABWCWKOEW-UHFFFAOYSA-N 327.262 2.760 0 50 EFAA CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)n1)c1nc2ccccc2[nH]1 170044107 IOUJPEXYFRSUDS-OAHLLOKOSA-N 338.367 2.783 0 50 EFAA O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)[C@H]1CSCN1 170046883 CVLIGONDEPSGGR-HZPDHXFCSA-N 328.437 2.832 0 50 EFAA CC(C)CN1CCN(C(=O)c2ncoc2-c2cccs2)[C@H](C)C1=O 170601186 ZXJFZYUVSYONHS-GFCCVEGCSA-N 347.440 2.732 0 50 EFAA CCC(CC)[C@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C 170675558 XOYRZVZDAKTTOD-HOTGVXAUSA-N 327.513 2.952 0 50 EFAA CC[C@@H](C(N)=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 171082504 AUYIABLPGAOKSD-JSGCOSHPSA-N 348.834 2.833 0 50 EFAA O=C(N1CCC[C@H](Cn2ccnn2)C1)C1(Cc2ccccc2F)CC1 188715927 FTBJKOVEBKMYAB-HNNXBMFYSA-N 342.418 2.679 0 50 EFAA CCn1c(CCNC(=O)N2CCC[C@]2(CC)CO)nc2ccccc21 190653766 OGPSWALOXUCIIQ-LJQANCHMSA-N 344.459 2.545 0 50 EFAA CCn1cc([C@H]2CN(CC(=O)Nc3cccc(C)c3C)CCO2)cn1 190813081 GKKUWBGXAGDMAL-GOSISDBHSA-N 342.443 2.532 0 50 EFAA O=C(NCc1ccc2ncccc2c1)Nc1cnn(-c2ncccn2)c1 193844895 WHTYGBKYEKBLOH-UHFFFAOYSA-N 345.366 2.532 0 50 EFAA Cn1cc(CCNc2ncnc3cc(Br)sc23)cn1 651298673 JNRPBNADDZWNMZ-UHFFFAOYSA-N 338.234 2.842 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)c1 1529158746 KJQBMLSUVZSAAZ-GOSISDBHSA-N 342.395 2.759 0 50 EFAA CC(C)C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CC[C@]1(C)O 211333849 NTZGZSIDYZKNDJ-BEFAXECRSA-N 345.443 2.784 0 50 EFAA CC[C@@H](CNc1noc(-c2ccccc2)c1C(=O)O)N1CCOCC1 1704333705 FEHZOYDMWRUTFG-AWEZNQCLSA-N 345.399 2.563 0 50 EFAA CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 13646740 XFVFSJGBNJIUMU-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA COc1ccc(-c2ccc(-c3nccn3C[C@@]3(O)CCNC3)o2)cc1 1857705992 FELQTRIQKAELTP-LJQANCHMSA-N 339.395 2.543 0 50 EFAA Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c(C)c1 1875251024 QXAJDJNLAAYDLX-HSALFYBXSA-N 342.483 2.604 0 50 EFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)Cc1cccs1 328636030 VIEAUEVZBZFIAR-KBXCAEBGSA-N 346.500 2.566 0 50 EFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)C1 237189507 PDPVTULTAYDXGX-STQMWFEESA-N 344.377 2.931 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc(C(=O)O)cc1 238110850 FIZUGMPNDGYRQH-KRWDZBQOSA-N 325.364 2.705 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2csc(CCc3ccccc3)n2)C1 136165000 IRGVRXCPFLHGCZ-CQSZACIVSA-N 344.436 2.865 0 50 EFAA CC(C)(C)c1ncsc1C(=O)NCCc1nc(C(=O)O)cs1 262870255 AZHSWAAJUHQYRZ-UHFFFAOYSA-N 339.442 2.568 0 50 EFAA c1ccc(-c2cnc(CN3CCNCCC34CCOCC4)o2)cc1 903818172 ZZPQLLIWWGPGLF-UHFFFAOYSA-N 327.428 2.686 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)s1 821545014 UHKCYQKERKZJHM-ZDUSSCGKSA-N 343.514 2.986 0 50 EFAA Cc1ncc2c(n1)CC[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)C2 929913958 WSIPNWAPBRKRPP-OAHLLOKOSA-N 329.831 2.963 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cnc(O)cc1OC 931028405 DXOIATLACYUCNL-INIZCTEOSA-N 342.395 2.954 0 50 EFAA O=C(c1cc(Cl)cc(Cl)c1O)N1C[C@@H](O)CC(F)(F)C1 935584653 AXHNVVDCJSMYLO-ZETCQYMHSA-N 326.126 2.541 0 50 EFAA Oc1ccc(Nc2nc3nonc3nc2Nc2ccc(O)cc2)cc1 86524 QDUNQAXSAIJALV-UHFFFAOYSA-N 336.311 2.911 0 50 EFAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NCCCn1ccnc1 4385848 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CC[C@]1(O)CCC[C@H]2CN(Cc3cc4c(cc3OC)OCCO4)C[C@H]21 2356145517 OTMUOELWTMUFHU-NBQZKYEYSA-N 347.455 2.839 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2C)C1 6747204 UKLYCMDLRODQIX-OAHLLOKOSA-N 338.473 2.694 0 50 EFAA O[C@H](COCc1ccccc1F)CN1CCC[C@@H](C(F)(F)F)C1 229105028 MEUXJMOPEWBDRL-KGLIPLIRSA-N 335.341 2.978 0 50 EFAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 8235095 UDFOQLLVBHKTPJ-ZJUUUORDSA-N 345.226 2.815 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 8714924 FNVMDBDZNZDJOD-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA O=C(NCc1ccc(Cl)nc1)[C@@H]1CCCN(Cc2ccco2)C1 55383940 AZULIQLQMYZCNJ-CQSZACIVSA-N 333.819 2.856 0 50 EFAA Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cncs2)CC1 119408135 AGYBTYIRBQLJQA-UHFFFAOYSA-N 344.484 2.516 0 50 EFAA Cn1cc(CC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 119703188 KKXNOXABSZNWJL-CQSZACIVSA-N 344.484 2.704 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)c1cccc(Cn2cccn2)c1 65426964 MTKGSZXVCRXHQA-HXUWFJFHSA-N 347.418 2.975 0 50 EFAA Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2c(C)nn(C)c2n1 24258200 YKYQJLKUMPUEIO-UHFFFAOYSA-N 349.438 2.548 0 50 EFAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC(C)C)c2)cc1 71751399 XORVOJLDGLBQCB-UHFFFAOYSA-N 349.408 2.747 0 50 EFAA CCN(CC)c1ncccc1CNC(=O)c1c(Cl)c(C)nn1C 67674129 UGQIBGPZTOWPCX-UHFFFAOYSA-N 335.839 2.553 0 50 EFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)COc3cccnc3)n2)c1 67894883 SMZNXRCYAMRDTO-CYBMUJFWSA-N 338.367 2.696 0 50 EFAA Cc1ccc(-c2noc([C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n2)o1 350193940 QREKDNVVYDSFSL-ZIAGYGMSSA-N 343.383 2.547 0 50 EFAA O=C(Nc1cc(Cl)cc2c1OCC2)N[C@H]1CCc2[nH]ncc2C1 120630959 CCORZCJQKPZRHX-LBPRGKRZSA-N 332.791 2.677 0 50 EFAA C[C@H](CNC(=O)c1cn(C)c(=O)c2ccccc12)Oc1ccccc1 428738336 ACVFFNCTWQWEJT-CQSZACIVSA-N 336.391 2.736 0 50 EFAA O=C(Nc1nncn1-c1ccccc1)[C@@H]1COc2ccc(F)cc2C1 252535916 HEACKBRRKMAGFL-ZDUSSCGKSA-N 338.342 2.596 0 50 EFAA CC(C)C[C@H](CO)NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 252512037 LSBUCDJAZOFDDT-KCXAZCMYSA-N 342.386 2.501 0 50 EFAA C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(C(C)(C)C)s1 122666251 YHLQQEOXAWYGJR-VXGBXAGGSA-N 347.502 2.518 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1 65373634 VPHNENSFCRWXQH-SFHVURJKSA-N 334.379 2.863 0 50 EFAA CCc1cc(C)c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328617885 DDQCEZYVZSGIBA-RDJZCZTQSA-N 327.428 2.968 0 50 EFAA Cc1ccc([C@H](C)NC(=O)CN(C)Cc2n[nH]c3c2CCCC3)cc1 67473116 CMLONKCXXIIVKJ-HNNXBMFYSA-N 340.471 2.906 0 50 EFAA COc1cccc(C2=NO[C@@H](C(=O)NCc3ccc(F)cc3)C2)c1 4111668 SROVOWKANHXQDM-QGZVFWFLSA-N 328.343 2.644 0 50 EFAA C[C@@H](c1ccccn1)N1CCN(CCCO[C@H]2CCCCO2)CC1 253392737 UZCQCFUJKQZDJS-HKUYNNGSSA-N 333.476 2.694 0 50 EFAA CN(C)c1ccc(-n2ccnc2S[C@H]2CCCCNC2=O)cc1 123580983 VWPXSDUNSJOMIQ-HNNXBMFYSA-N 330.457 2.699 0 50 EFAA CC(=O)Oc1ccc(CC(=O)CSc2nncn2C(C)(C)C)cc1 253428532 ARNOMWOFWSQLCB-UHFFFAOYSA-N 347.440 2.862 0 50 EFAA CC(C)Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cc(O)n1 331997725 VCIXDFVYUKBWQW-MSOLQXFVSA-N 340.423 2.934 0 50 EFAA CC[C@@H]1CN(Cc2nc[nH]c2C)CCC(=O)N1Cc1ccccc1 71768011 PGLMFKHMAIWBIR-QGZVFWFLSA-N 326.444 2.731 0 50 EFAA C[C@@H](O)CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 361059796 NNMVRVNWKGUJOL-XCBNKYQSSA-N 344.255 2.989 0 50 EFAA CCCOc1ccc(/C=C/C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1OC 153894760 ZZWZJRXILXWXQW-LADOHOGBSA-N 332.444 2.706 0 50 EFAA CCN(C)[C@@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1 363474078 GCHUXPDCYRTTKX-QZTJIDSGSA-N 342.443 2.694 0 50 EFAA Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)c(=O)[nH]1 121512145 VWNXIZXVAPJQMV-AWEZNQCLSA-N 336.395 2.668 0 50 EFAA CC(C)(C)ONC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 156117413 AGLAMHITAVJBRU-LLVKDONJSA-N 328.821 2.989 0 50 EFAA COc1ccccc1C[C@H](C)CC(=O)N1CCc2ccnc(O)c2C1 369602494 HYVNQIDWMBVUFC-AWEZNQCLSA-N 340.423 2.949 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCC[C@H](c2cc[nH]n2)C1 369732570 PGVUPFGKOBJUNB-NSHDSACASA-N 325.347 2.512 0 50 EFAA NS(=O)(=O)c1ccc(CCN[C@H]2CC[C@@H](c3ccccc3)C2)cc1 130406944 BZCDIQHWHFYPHN-MSOLQXFVSA-N 344.480 2.802 0 50 EFAA 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CCc1nccn1CCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 584904040 MVRABUGNGUQVJJ-UHFFFAOYSA-N 331.807 2.682 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(-n2cccn2)cc1 670443341 NUCUGVYPJGLQFH-UHFFFAOYSA-N 335.411 2.794 0 50 EFAA Cc1cc(NC(=O)NC2CC(C(=O)O)C2)ccc1OCC(F)(F)F 871654159 OSSJXKKDHBLFOX-UHFFFAOYSA-N 346.305 2.921 0 50 EFAA COC(=O)c1ccnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1 952882646 NSVCEYQIPKPQEC-UHFFFAOYSA-N 343.358 2.502 0 50 EFAA Cc1oc(C)c(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)c1C 952890485 VECMJKKOGWXOEP-ZDUSSCGKSA-N 331.372 2.994 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)NCc1cnn2c1CCCC2 952995284 HDUJYLDCZKSVSF-INIZCTEOSA-N 331.391 2.832 0 50 EFAA COc1cccc([C@H]2C[C@H](C)CN2C(=O)NCc2nonc2C)c1 873283066 NOEDTJOBWXOCLI-MEDUHNTESA-N 330.388 2.679 0 50 EFAA Cn1ncc(S(=O)(=O)Nc2cccc(Sc3ccccc3)c2)n1 1875333157 FKEFBKBJXDQHJO-UHFFFAOYSA-N 346.437 2.767 0 50 EFAA O=C(Nc1cnc2cccnn12)N1CC2(CCC2)[C@@H]1C1CCOCC1 1875315615 BEXQSWZTRFDLGP-INIZCTEOSA-N 341.415 2.542 0 50 EFAA Cc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c2ccnc-2[nH]1 1875342084 XAHYZSWDKTYIHL-SUMWQHHRSA-N 349.438 2.611 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC=C(c4cccnc4)C3)n[nH]c21 1875395263 UHWQZFNBCRAWEU-OLZOCXBDSA-N 338.411 2.756 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)c1 952972179 FTXPYLZKAACMHG-YJBOKZPZSA-N 343.471 2.837 0 50 EFAA C[C@H](CCNC(=O)CC12CC3CC(CC(C3)C1)C2)N1CCN(C)CC1 952963769 KBUWRXPRTZPQQU-HINLZNOGSA-N 347.547 2.735 0 50 EFAA CC1=C(C(=O)N(C)CCCOc2cccc(Cl)c2)OCCO1 952987154 KDPSQSOACGJMQV-UHFFFAOYSA-N 325.792 2.846 0 50 EFAA CO[C@H](C(=O)NCc1cncc(O)c1)c1ccccc1C(F)(F)F 886271419 ILEHZTLJKZTDNA-AWEZNQCLSA-N 340.301 2.810 0 50 EFAA CCNC(=O)c1cccc(CN=c2cc[nH]c(C)c2Br)c1 891847791 RDIGOZPWWWHEIU-UHFFFAOYSA-N 348.244 2.936 0 50 EFAA Cc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)o1 1565516397 IRENQZFWPCFTJI-RDJZCZTQSA-N 325.412 2.720 0 50 EFAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1cc(C)nc2c(F)cc(F)cc12 1565515622 VBVXZGFEJXMLJQ-MJQACMKBSA-N 347.365 2.525 0 50 EFAA O=C(O)CCCc1nc2ccccc2c2nc(-c3cccnc3)nn12 408525821 QNSNVYMOBDFTHM-UHFFFAOYSA-N 333.351 2.747 0 50 EFAA C[C@H]1CCNC(=O)[C@H]1Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 685039897 PJQHKRFWZSNSCN-BFVZDQMLSA-N 330.457 2.753 0 50 EFAA NC(=O)c1ccc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 170592209 GZFIXFODDLHIIY-OAHLLOKOSA-N 347.777 2.795 0 50 EFAA C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(C(N)=O)cc1 170956301 QPDACYFWOLFCFB-CQSZACIVSA-N 337.423 2.733 0 50 EFAA COc1ccccc1-c1nc(CSc2nnc(N)n2C)cs1 193573255 FGJYDFPAWYGHFT-UHFFFAOYSA-N 333.442 2.822 0 50 EFAA CCOc1ccc2ccc(OCC)c(/C=C3/NC(=O)NC3=O)c2c1 450278 DEFXBJFBQNIAQB-XNTDXEJSSA-N 326.352 2.818 0 50 EFAA Cc1cc(C)c(CN(CCO)Cc2[nH]cnc2C)c(-n2cccn2)c1 1704329163 NQZUUUQISAFPMC-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cccc3ccccc23)C[C@@H]1O 1704304031 KIMLMDXCWLDWFG-PXNSSMCTSA-N 341.407 2.918 0 50 EFAA CC(=O)c1cnc(N2CCC([C@@H](O)c3cccs3)CC2)nc1C 1704307054 RYRNFOPSPGSQNJ-MRXNPFEDSA-N 331.441 2.999 0 50 EFAA Cc1cc(CCC(=O)Nc2ncc(F)cc2Br)on1 1875276221 JTPHMXLNWYCOKL-UHFFFAOYSA-N 328.141 2.851 0 50 EFAA CC(C)OC(=O)N1CCC(N2CCC(c3ccnc(O)c3)CC2)CC1 1772812469 LVUHNJSFPVQHOS-UHFFFAOYSA-N 347.459 2.976 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)NC12CC3CC(CC(C3)C1)C2 5043539 UUOHAZAKORYIHT-FAKMSMKASA-N 342.439 2.950 0 50 EFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(CC2CCCCC2)nn1 11664308 NYFXMGUGGUPYSN-UHFFFAOYSA-N 344.463 2.643 0 50 EFAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cnsn2)C1 11764957 QJGNRHIJTSLNBY-NSHDSACASA-N 347.465 2.995 0 50 EFAA C[C@H](CNC(=O)c1cn(C2CCCCCC2)nn1)Oc1cccnc1 11938186 CTLDBUCWZMTXSE-CQSZACIVSA-N 343.431 2.766 0 50 EFAA CSCCNCc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 12302141 FYASRZLPJUMQNG-UHFFFAOYSA-N 346.500 2.721 0 50 EFAA CCN(CC)C(=O)c1sc2ncnc(NCCCOC)c2c1C 15007436 ZSBWVYRMHLEZDK-UHFFFAOYSA-N 336.461 2.930 0 50 EFAA Cc1nc(NC(=O)CN2CCN(c3ccccc3)CC2)sc1C 19852583 WIXDKJMKEZIZLF-UHFFFAOYSA-N 330.457 2.521 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2cccc(OC)c21)C(=O)O 206416020 IDOVZEORORBLDX-MLGOLLRUSA-N 332.400 2.656 0 50 EFAA CN1C(=O)NCC12CN(CCCC(=O)c1ccc(C(C)(C)C)cc1)C2 1857679954 BWRSQGGZVMKZBD-UHFFFAOYSA-N 343.471 2.656 0 50 EFAA Clc1ccc2c(c1)CN([C@H]1CCOC3(CCNCC3)C1)CCO2 1857683162 WZIFZLRZUSAZMG-INIZCTEOSA-N 336.863 2.836 0 50 EFAA COc1nc2ccccc2cc1-c1cc(C(=O)N2CCOCC2)ccn1 1875245989 WBTMAKJDBCYJTR-UHFFFAOYSA-N 349.390 2.778 0 50 EFAA Cc1ncsc1CN1CCN(c2ncnc3sccc23)CC1 125662658 BYLWFIGDDAOJLJ-UHFFFAOYSA-N 331.470 2.778 0 50 EFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 238104398 OJNRDQITNWXHES-UONOGXRCSA-N 337.803 2.536 0 50 EFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1 11693083 VGHXDGNGUJCLTI-UHFFFAOYSA-N 335.367 2.613 0 50 EFAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(OC2CCC2)cc1Cl 337739962 RDQDIIYTTPQNNX-ZUZCIYMTSA-N 336.819 2.668 0 50 EFAA COC[C@H]1CN(C(=O)c2c(Cl)cccc2OC)CC(C)(C)O1 348116857 LFLPFDKQSCNOHH-LLVKDONJSA-N 327.808 2.615 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1CN(C)Cc2ccccc21)c1cccc(O)c1 372884135 SPHBXTIRDBNSMA-FZKQIMNGSA-N 325.412 2.939 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1C[C@H](C(=O)O)CC[C@@H]1C 263245709 SEPYAQPGHWGPRV-WDEREUQCSA-N 325.792 2.603 0 50 EFAA CSc1cnn(-c2ccccc2)c1NC(=O)Nc1ccn(C)n1 162439489 AAFRXUCASCWQMP-UHFFFAOYSA-N 328.401 2.972 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](c1ccccc1)c1nn[nH]n1 827902029 PZZNVEZUBLRRJJ-HNNXBMFYSA-N 339.399 2.918 0 50 EFAA CCn1nnc(C)c1Cn1cnc2sc3c(c2c1=O)CCCCC3 828306234 PFWKVKGCFWRIOG-UHFFFAOYSA-N 343.456 2.695 0 50 EFAA CO[C@H]1CCN(c2nccn3nc(C(F)(F)F)cc23)CC1(C)C 928995836 JAWCKXOJNKWVRX-LBPRGKRZSA-N 328.338 2.999 0 50 EFAA Cc1ccc(Br)c(C(=O)NC[C@@H](CO)c2ccccc2)n1 934432172 LXCDEZYLOYXNIU-ZDUSSCGKSA-N 349.228 2.658 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccc3c(c2F)OCCO3)Cc2ccccc21 2325788309 XKFNTVNTGDVWEN-OAHLLOKOSA-N 343.354 2.781 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)C23CC2C3)C1 2325901778 XMVGEWPKKDMDMS-BIWSTMPVSA-N 328.412 2.879 0 50 EFAA Cc1cc([C@@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)c(C)o1 130180234 WKKALYJRULXOIK-CYBMUJFWSA-N 329.400 2.619 0 50 EFAA c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2 16050 QJPPEMXOOWNICQ-UHFFFAOYSA-N 336.435 2.747 0 50 EFAA in-vitro COc1cc(NC(=O)[C@@H](C)Oc2ccccc2)c(C(=O)O)cc1OC 54503 LKEPKOUIYQXLDG-LLVKDONJSA-N 345.351 2.808 0 50 EFAA CCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2CC)c1 180399 OOMMMGNKXCQNLD-UHFFFAOYSA-N 338.429 2.788 0 50 EFAA COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O 338331 VKOSQMWSWLZQPA-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro COc1ccc(CCNC(=O)c2cccc(-c3cncc(N)n3)c2)cc1 2356137048 PLIUOLDXYYRMFB-UHFFFAOYSA-N 348.406 2.707 0 50 EFAA CN(C)c1ccc(-c2cc[nH]c(=NCCCNc3cccnc3)n2)cc1 2356149593 KWVBBMAGBGTLIM-UHFFFAOYSA-N 348.454 2.941 0 50 EFAA Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 2826586 DICWLFLYSFJZPY-UHFFFAOYSA-N 326.396 2.750 0 50 EFAA COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 2993610 PABYAIRHURJIHS-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)n(C)n1 2356164344 PLJRJHSJWXLRNP-IBGZPJMESA-N 346.475 2.549 0 50 EFAA CCOC(=O)c1c(C)nsc1NC(=O)COc1ccccc1C 6730918 NAABKPBZNZNIDX-UHFFFAOYSA-N 334.397 2.954 0 50 EFAA O=C1NCc2ccc(NCc3cnn(Cc4ccc(F)cc4)c3)cc21 225438861 QMGOCWZWAPCRAE-UHFFFAOYSA-N 336.370 2.926 0 50 EFAA Cc1ccc(C)c(CC(=O)NCC2(N3CCCCC3)CCOCC2)c1 111100801 NTSSANPKZGGWJI-UHFFFAOYSA-N 344.499 2.997 0 50 EFAA Cc1ccc(CN2CCN(c3ncc(F)cn3)CC2)c2cccnc12 65463329 SAYGNAGQWPSZEE-UHFFFAOYSA-N 337.402 2.795 0 50 EFAA CC(C)CN(C/C=C/c1ccccc1)C(=O)CCc1n[nH]c(N)n1 55370038 ZAMJZNIHIMXXCJ-RMKNXTFCSA-N 327.432 2.518 0 50 EFAA COCCc1noc([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)n1 102541609 XYJLAHILYWOJGJ-CYBMUJFWSA-N 341.415 2.514 0 50 EFAA CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1nc(C)n[nH]1 248021443 LXONMXHFTMESRU-ONERCXAPSA-N 341.415 2.589 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)C(=O)c1cccs1 67473266 VDBWBXUJTVHIEM-UHFFFAOYSA-N 325.393 2.775 0 50 EFAA CCOC[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 248720480 CHONKUOMXDBBFA-BHIYHBOVSA-N 345.487 2.575 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348260183 NFJMSFZJVLGDSS-QZTJIDSGSA-N 329.371 2.677 0 50 EFAA Cc1cc(Cl)ccc1OC[C@H](O)CN(CCO)Cc1ccccc1 22147115 FJZSPVYGGKOIHV-GOSISDBHSA-N 349.858 2.883 0 50 EFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 67740325 SDWNNVWPBRSBFF-MRXNPFEDSA-N 335.407 2.888 0 50 EFAA COCCc1cc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n(C)n1 119162108 UARLYJPUPDAVSD-GUYCJALGSA-N 328.416 2.834 0 50 EFAA COc1cc(CN2CCC[C@H](N(C)CCCN(C)C)C2)ccc1F 23359030 MUTZWEYDIQCRFR-KRWDZBQOSA-N 337.483 2.682 0 50 EFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc(F)ccc2o1 117791497 JMQJTJIWMWMDDM-HNNXBMFYSA-N 334.391 2.755 0 50 EFAA COc1ccc(F)c(F)c1CN1CCC2(CCNC(=O)CC2)CC1 67739653 PZTZJQZMFGLAIS-UHFFFAOYSA-N 338.398 2.856 0 50 EFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 67457706 GZBAZVLYUUYTBU-CQSZACIVSA-N 342.491 2.909 0 50 EFAA CC(=O)N1CCC(N2CCC([C@@H](O)CCc3ccccc3)CC2)CC1 65491179 HXCIYYWVCQFPFW-NRFANRHFSA-N 344.499 2.703 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 229935304 WJWGMIFOMMTEGH-UWWQBHOKSA-N 342.439 2.554 0 50 EFAA CN1CCC(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CC1 12717734 CTWZKIOBWMFNBL-UHFFFAOYSA-N 341.411 2.523 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 11814848 KQIOFCDCIPIOKK-OAHLLOKOSA-N 346.427 2.769 0 50 EFAA C[C@@H]1[C@@H](NCC[C@](O)(c2nccn2C)C(F)(F)F)CCC[C@H]1C 252485861 BEOLPMWWEFEESA-OSFYFWSMSA-N 333.398 2.974 0 50 EFAA CC(C)[C@H](NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1)c1ccccn1 252506826 VXFPYBUSPLDIME-DKKFBQAASA-N 342.487 2.904 0 50 EFAA COc1cccc(N2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 488620 AFDWKRHYGSKPBZ-QGZVFWFLSA-N 335.363 2.844 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N1CCc2ccccc21 328615130 XSMJITHJJSJWRB-YJBOKZPZSA-N 325.412 2.704 0 50 EFAA Cn1cncc1[C@@H]1C[C@H](NCc2ncccc2C(F)(F)F)CCO1 328636679 OEZKXRVBBVPKHD-ABAIWWIYSA-N 340.349 2.844 0 50 EFAA Cc1ccc(O)c(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)n1 328628992 OIDKPYMFYOPQQA-MRXNPFEDSA-N 346.431 2.860 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cn3ccccc3n2)cn1 328632878 LNURQEMTNUFNCQ-QAPCUYQASA-N 338.415 2.501 0 50 EFAA Cc1cc(N(C)Cc2nc(-c3ccccn3)no2)n2nc(C)c(C)c2n1 72432446 YZPIVAQSVVZVRS-UHFFFAOYSA-N 349.398 2.736 0 50 EFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cccc(-n2cccn2)c1 77539308 MZQDTVBIAQQHJX-KRWDZBQOSA-N 349.390 2.832 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cnc3ccc(C)cn23)c1 282778418 QDLJBPCGMCZFRM-MJGOQNOKSA-N 337.423 2.959 0 50 EFAA O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc2c(c1)OCCO2 362965608 ZDKWUECJRMXWOY-UHFFFAOYSA-N 349.346 2.873 0 50 EFAA C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nnc2n1CCCCC2 154212788 LUPDBVFXDUTGQR-JTQLQIEISA-N 341.383 2.818 0 50 EFAA O=C1CCc2cc(C(=O)N3CC[C@H](Cc4ccncc4)C3)ccc2N1 363710105 LGNFUXBHNCVZNG-OAHLLOKOSA-N 335.407 2.671 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc12)C1CC1 219323956 BNQINLWYOMGSAG-SFHVURJKSA-N 337.427 2.898 0 50 EFAA Cc1ccc(-c2noc(CCNC(=O)c3cc(C4CC4)n[nH]3)n2)cc1 71777086 RBBSRFLBWBUIFY-UHFFFAOYSA-N 337.383 2.618 0 50 EFAA Cn1nccc1CCN1CCC(c2nc(-c3ccccc3)no2)CC1 366904729 BWBHFTDXKBUQEF-UHFFFAOYSA-N 337.427 2.892 0 50 EFAA COCCCN1C[C@]2(CCCN(Cc3cccc(O)c3)C2)CCC1=O 77392685 FAGPWELVATUDRP-HXUWFJFHSA-N 346.471 2.633 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)c1noc(C)c1CO)CC(C)(C)O2 71523644 UNYRXZMQQBHIIG-AWEZNQCLSA-N 346.383 2.516 0 50 EFAA Cc1ncc(C(=O)Nc2cc3c(O)ncnc3cc2F)c(C2CC2)n1 242339201 ZFUKUUIBULHZAA-UHFFFAOYSA-N 339.330 2.703 0 50 EFAA Cc1ocnc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 14977820 XDAIXGVTYWLCEH-INIZCTEOSA-N 349.390 2.667 0 50 EFAA COc1ccc(C2(C(=O)N3CCC(N(C)C(C)=O)CC3)CCC2)cc1 338171641 PSNUGRPUUNERFD-UHFFFAOYSA-N 344.455 2.586 0 50 EFAA C[C@H](C(=O)Nc1ccccc1CC(=O)O)N1CCc2ccccc2C1 237451424 YWWAYPBZGYSLOM-CQSZACIVSA-N 338.407 2.699 0 50 EFAA CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C(C)C 77408334 PMHIUVWLVKXZLE-KRWDZBQOSA-N 326.444 2.817 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OCC1CCOCC1 237631303 QXXPIJIXSPKVEF-KRWDZBQOSA-N 332.444 2.881 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@@H](c2ccsc2)C1 131941288 KOHYRMVDARSDGZ-LLVKDONJSA-N 343.330 2.771 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)c2cccnc2O1 374418667 FCCKAWSIXRHGMV-SNVBAGLBSA-N 341.392 2.554 0 50 EFAA O=C([C@H](O)C1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1 77386962 BEEIVNOAAAALKT-GOSISDBHSA-N 334.435 2.806 0 50 EFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc(-n2cncn2)cc1 219504845 XPHXAVUAIZVKGC-LJQANCHMSA-N 330.391 2.987 0 50 EFAA Cc1cc(C(=O)NCc2ccccn2)nn1-c1ccc(F)cc1F 130324934 OPFUOJYGAHIPIE-UHFFFAOYSA-N 328.322 2.784 0 50 EFAA CN1CCOc2ccc(NC(=O)[C@@H]3CCCN3c3nccs3)cc21 173955185 GULADAJLNGUMPH-ZDUSSCGKSA-N 344.440 2.579 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286313939 NRIDSFBNSHIDFD-QRVBRYPASA-N 341.407 2.949 0 50 EFAA COc1ccc2nc(CCNC(=O)Cc3ccc(F)cc3F)[nH]c2c1 216065363 CWZFBGJYPQOURT-UHFFFAOYSA-N 345.349 2.751 0 50 EFAA C[C@@H]1CC(NC(=O)c2cnc(S)n2-c2ccccc2)C[C@@H](C)O1 131093888 FENWHMLXTYBLCU-VXGBXAGGSA-N 331.441 2.847 0 50 EFAA COCCc1nsc(N(CCN2CCCCCC2)C(C)C)n1 240569319 GZNDPOFRJWMFTH-UHFFFAOYSA-N 326.510 2.818 0 50 EFAA Cc1cncc(CCc2nc(CC(=O)NC3CCCCC3)no2)c1 291953422 RCKGGZVNYCYWEN-UHFFFAOYSA-N 328.416 2.550 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 177329835 FTCJAKHXPIHBMY-RDJZCZTQSA-N 341.411 2.736 0 50 EFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1Cl 177656739 ILMMFDIHKIDILD-OAHLLOKOSA-N 344.846 2.724 0 50 EFAA CCOc1ncccc1C(=O)NCCOc1cccc2cccnc12 223276889 SWNKCIQOYGZHGQ-UHFFFAOYSA-N 337.379 2.837 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)N(C)CCCOc2ccccc2F)n[nH]1 426531096 ZECJLOTWXAEXAA-ZDUSSCGKSA-N 348.422 2.899 0 50 EFAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCC(F)(F)CC1 426510178 SGDREGXXOJTISW-UHFFFAOYSA-N 347.387 2.630 0 50 EFAA OCCn1ccc([C@@H]2CCCN(Cc3nc4ccccc4s3)C2)n1 426647861 CJOYBXFVMCGQID-CQSZACIVSA-N 342.468 2.865 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 91736840 AHFQISRKDDISIA-QGZVFWFLSA-N 340.467 2.968 0 50 EFAA COCc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC 97797582 DXBCSIGUHNHYIZ-FQEVSTJZSA-N 327.424 2.935 0 50 EFAA Cc1cc2nc(CN(C)C(=O)NCc3c(C)n[nH]c3C)[nH]c2cc1C 426443243 JHCQYYZTXOVHHN-UHFFFAOYSA-N 340.431 2.861 0 50 EFAA Cc1nc(N[C@H](C)c2ccc(-n3cncn3)cc2)c2c(C)noc2n1 95354710 INWKCABLMLFNLH-SNVBAGLBSA-N 335.371 2.988 0 50 EFAA CC(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)C(N)=O 426614981 BCOGWSIWYQKICU-LBPRGKRZSA-N 332.231 2.693 0 50 EFAA O=C(N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1(O)CCCCC1 180768823 HENWHIXYCDUBFB-GFCCVEGCSA-N 345.365 2.761 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1COc2ccccc2C1 95511676 QRDVQZHDKOGZBD-AWEZNQCLSA-N 325.412 2.546 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1NS(C)(=O)=O 181298752 BWNRQAHVNWCCKP-HNNXBMFYSA-N 336.457 2.819 0 50 EFAA CCOCC1(CNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)CCC1 91473827 CDZDNHRADAWFLY-CQSZACIVSA-N 334.391 2.575 0 50 EFAA Cn1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)ccc1=O 91943771 FCOCNFZUSUQSPU-KRWDZBQOSA-N 340.423 2.718 0 50 EFAA CSCCN1CCC(NC(=O)[C@H]2CCOc3ccccc3C2)CC1 95502816 XYVUHFSLFBSKJC-INIZCTEOSA-N 348.512 2.571 0 50 EFAA CCOc1ccc(NC(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cc1 96164091 XDGBIPCSEQPHNC-DYVFJYSZSA-N 345.399 2.761 0 50 EFAA O=C(O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@H]1CCC[C@H]1[C@H]3[C@]42C(=O)O 247449766 ZKDVHTYVHJEFEP-RKZISKQZSA-N 328.408 2.726 0 50 EFAA CC(=O)c1ccc(F)cc1NC(=O)Cn1cnc(-c2ccccc2)n1 184856804 WBNQAYGZUAIKRT-UHFFFAOYSA-N 338.342 2.926 0 50 EFAA CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)o1 252572186 YXLNCVKWEYOTRI-BZUAXINKSA-N 329.396 2.790 0 50 EFAA Fc1cccnc1N1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2)C1 252512530 RYNMJYCZXHVAPI-ROUUACIJSA-N 340.446 2.664 0 50 EFAA COc1cc(CN(C)C(=O)c2ccc(O)nc2)c(SC)cc1OC 265908017 QDWQACJMFHWFNL-UHFFFAOYSA-N 348.424 2.799 0 50 EFAA CN1CC[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2Cl)C1 534658917 HZTHSHVINDBSQH-CYBMUJFWSA-N 330.259 2.881 0 50 EFAA OCCn1nc(C2CC2)nc1Cc1csc(-c2ccccc2)n1 828778393 MUMOCIYRUHLLEW-UHFFFAOYSA-N 326.425 2.862 0 50 EFAA CC(C)C(=O)N1CCC[C@H](n2cnc3cccc(Cl)c3c2=O)C1 670437738 NROUAQQDHWTXHB-LBPRGKRZSA-N 333.819 2.869 0 50 EFAA CN1C(=O)CCc2cc(CSc3ncnc4[nH]cnc34)ccc21 1875264000 RNHHXHXMQDGQIS-UHFFFAOYSA-N 325.397 2.554 0 50 EFAA CC(C)N(Cc1cncn1C)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 1875297332 LUFZNHRASBUDBM-LBPRGKRZSA-N 337.370 2.903 0 50 EFAA Cc1ccc([C@@H]2CCN(S(=O)(=O)c3[nH]cnc3C)C2(C)C)cc1 1875393221 BBPNREARXPAKBE-HNNXBMFYSA-N 333.457 2.983 0 50 EFAA COc1ccc([C@H](C)NC(=O)c2cccn3nccc23)cc1C(=O)O 1875324022 YOLHQJVIMHOMCT-NSHDSACASA-N 339.351 2.532 0 50 EFAA O=S(=O)(c1cnc2[nH]cncc1-2)N(CC1CCC1)c1ccccc1 952993506 YNISHQGLTCHXMC-UHFFFAOYSA-N 342.424 2.905 0 50 EFAA COCc1cc(CN2CCN(CC(F)(F)F)CC2)ccc1OC 952982301 OAGXNURKLKQYJO-UHFFFAOYSA-N 332.366 2.522 0 50 EFAA COc1cnc2ccccc2c1-c1nnc([C@]2(OC)CCOC2)o1 886086230 RUQZBZSEWVONAI-KRWDZBQOSA-N 327.340 2.555 0 50 EFAA COc1ccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1 886038137 NVLNNOSVGXRZJD-DZGCQCFKSA-N 330.350 2.727 0 50 EFAA Cc1nonc1CC(=O)NC[C@@H](C)c1ccc(Br)cc1 887406830 OYEBTQLRRCQOAC-SECBINFHSA-N 338.205 2.603 0 50 EFAA CCn1nc(C(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)ccc1=O 887581267 RUDPOORWAXFGKM-MRXNPFEDSA-N 339.439 2.919 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NC[C@H]3CC(=O)N(C4CC4)C3)c2c1 1334982027 KCDAJRCPRQOVSH-LLVKDONJSA-N 345.830 2.742 0 50 EFAA C[C@H](OC[C@@H]1CCCO1)c1nc(-c2[nH]nnc2-c2ccccc2)no1 1775987674 QZOGTGYIMOQUBE-AAEUAGOBSA-N 341.371 2.778 0 50 EFAA COC(=O)c1sc(Br)cc1NC(=O)C[C@H]1CCOC1 1775997888 OMFDIPMCXOEOIK-SSDOTTSWSA-N 348.218 2.662 0 50 EFAA NC(=O)c1nccnc1N1CCC[C@H](CNc2ccc(Cl)cc2)C1 895906753 XRXPDDBCYONDCG-GFCCVEGCSA-N 345.834 2.557 0 50 EFAA O[C@@H](C[C@H]1CCCCCN1c1nccn2cnnc12)c1ccccc1 271349605 NMSUOPRPAUGMHT-SJORKVTESA-N 337.427 2.997 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)sc1C 275339274 VBDZIFRXXAYIIG-HAQNSBGRSA-N 331.459 2.534 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccnc(OC)n2)cc1 276572462 RYKTXQGXNGXDAZ-CQSZACIVSA-N 328.372 2.863 0 50 EFAA COC(=O)[C@@H]1CCCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 170634755 MDDWDAUOUOWTED-LZUXJJCOSA-N 334.460 2.797 0 50 EFAA O=C(CCc1ccccc1OC(F)(F)F)N1CCN(C2CC2)CC1 171400347 SZTSCLCKMOBRAP-UHFFFAOYSA-N 342.361 2.824 0 50 EFAA Cc1ccc(C2(C(=O)N[C@H](C)c3cn(C)nc3C)CCOCC2)cc1 171776346 ARFMCMIQOBOOKI-OAHLLOKOSA-N 341.455 2.963 0 50 EFAA Cn1nnnc1-c1ccccc1NC(=O)c1cccc2c1OC(C)(C)C2 637773781 SGKOJIHHQBMAIQ-UHFFFAOYSA-N 349.394 2.843 0 50 EFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCCCC[C@@H]1c1ncon1 189625698 ZUDCRKWCUCDTTB-OAHLLOKOSA-N 338.367 2.669 0 50 EFAA CN(C(=O)c1cc2c(cc1F)NC(=O)CC2)C1(C(=O)O)CCCCC1 191296367 RNPSQVRNIUEHMH-UHFFFAOYSA-N 348.374 2.570 0 50 EFAA Fc1ccc(CCN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1F 660592941 ZADJLOMFQFAJBV-CQSZACIVSA-N 343.381 2.736 0 50 EFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)Cc1ccc2nonc2c1 1506404504 UXNFESSGTQATIO-KRWDZBQOSA-N 341.367 2.798 0 50 EFAA Cc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 1529125136 LXVJAQINRCZDPZ-IAGOWNOFSA-N 342.464 2.954 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(CCCOc1cccc(OC)c1)C2 216594348 JDCKEMXYGMQWBR-SJORKVTESA-N 346.471 2.797 0 50 EFAA CN1CCCC[C@H]1CNC(=O)c1coc(COc2ccccc2F)n1 12227973 XJNGPUXYTPDIPL-ZDUSSCGKSA-N 347.390 2.607 0 50 EFAA COc1ccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1OC 12440582 PNPNKQHUUSAIRM-HNNXBMFYSA-N 346.471 2.975 0 50 EFAA CN(c1ncccc1CNC(=O)C1CCOCC1)C1CCCCC1 12587185 LFCXYHZBFKEOEK-UHFFFAOYSA-N 331.460 2.893 0 50 EFAA O=C(c1ccoc1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 14971402 HOYWXTPPOVFDLI-LJQANCHMSA-N 329.396 2.963 0 50 EFAA O=C(CCc1cnccn1)N1CCO[C@H](CCCc2ccccc2)C1 15075203 PXJUEUTWSJXYHM-LJQANCHMSA-N 339.439 2.660 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1csc2c1CCCC2 332050587 ZPWACRKSMIAOHN-GFCCVEGCSA-N 341.498 2.666 0 50 EFAA COc1c2c(nc3occc13)[C@@](CCC(C)(C)O)(OC)[C@@H](O)CC2 199433 KHGNFPUMBJSZSM-UGSOOPFHSA-N 335.400 2.536 0 50 EFAA biogenic,in-vitro CC(C)c1nccc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1 110308475 HBYDSBKAVPUZTB-UHFFFAOYSA-N 342.418 2.630 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)NCc1ccccc1 118215239 LTJLHNIAKNSGHV-CZUORRHYSA-N 340.448 2.697 0 50 EFAA Cc1c(CNC(=O)N[C@H](c2ccccc2)c2nccs2)cnn1C 121992165 UUCHFYYUDLLFDY-OAHLLOKOSA-N 341.440 2.774 0 50 EFAA OCc1cc2ccccc2nc1N1CC[C@@H](c2nc(C3CC3)no2)C1 333391418 CZMKMTULOANPJP-CQSZACIVSA-N 336.395 2.981 0 50 EFAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 237911387 LAFRFKHKGKJGNF-NILFDRSVSA-N 326.799 2.506 0 50 EFAA CCn1ccnc1CN(C(=O)c1ccoc1C)[C@@H]1CC12CCNCC2 355442228 LKHPKNIAKKDNBL-MRXNPFEDSA-N 342.443 2.589 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 253394957 CRDZAZJDOTYWKM-GFCCVEGCSA-N 348.447 2.680 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@H]3C(=O)O)c12 159891166 MPWKBUPHRKSJHK-ZDUSSCGKSA-N 331.372 2.734 0 50 EFAA CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)CN1CCOC1=O 916014801 IGXMYDUJIYNJNO-LBPRGKRZSA-N 338.354 2.512 0 50 EFAA O[C@]1(Cc2nc(C3CC3)no2)CCCN(c2ccncc2Cl)C1 818144346 BRRMRHFSEKCSON-INIZCTEOSA-N 334.807 2.569 0 50 EFAA CCn1ccnc1[C@@H](C)NC(=O)c1nc(-c2ccccc2)ns1 902943606 TWZFXTQFLPYYTC-LLVKDONJSA-N 327.413 2.913 0 50 EFAA C[C@H]1CCc2nc(C(=O)Nc3cccc(CCC(=O)O)c3)cn2C1 909509641 AFCNMKNPMKAKCY-LBPRGKRZSA-N 327.384 2.735 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3C[C@@H]4CCN[C@@H]4C3)ncnc21 2100556189 HRCUFUCJLAOUOT-GOEBONIOSA-N 342.491 2.623 0 50 EFAA Cc1cc2cc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)oc2cc1C 2325777201 LZFKYGVYBOKJHK-HNAYVOBHSA-N 329.396 2.973 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@]3(C(=O)O)C[C@H]3c3ccccc3)cn12 907814656 QTDNPEILFIPYQB-JXFKEZNVSA-N 349.390 2.517 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1OCCc2ccccc21 138373235 VIIUJGUAFXOHTB-LJQANCHMSA-N 333.391 2.803 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 214896 SAVXZHIDUAACIM-OAHLLOKOSA-N 348.443 2.504 0 50 EFAA CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CC)C2=O 1164333 RFXNAWMRRBHDQI-UHFFFAOYSA-N 338.363 2.954 0 50 EFAA Cc1cccc(N[C@]2(C(F)(F)F)NC(c3ccccc3)=NC2=O)n1 2416935 XASNKYCGWLTPPC-HNNXBMFYSA-N 334.301 2.637 0 50 EFAA O[C@@H]1CCN(c2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)C1 2356140028 QMCOBAQTBIVJIB-LLVKDONJSA-N 332.766 2.760 0 50 EFAA O[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@]1(O)c1ccccc1 2356143959 DNAQMPJTWFGNBL-PMACEKPBSA-N 345.414 2.549 0 50 EFAA O=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12 4413089 KAAGRDKCARTUQU-UHFFFAOYSA-N 348.402 2.731 0 50 EFAA O=C(O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1 4703568 LQULHDZWJGXHMY-UHFFFAOYSA-N 330.359 2.973 0 50 EFAA CN[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 134104379 URHJKRRXDFOBBF-CYBMUJFWSA-N 325.250 2.592 0 50 EFAA CCc1noc(CN(CC)[C@H](C(=O)O)c2cc(C)ccc2OC)n1 55414986 UZXBBDGTMJRBPX-INIZCTEOSA-N 333.388 2.597 0 50 EFAA COc1ccc(Cc2noc(CCn3c(C)c(C)sc3=O)n2)cc1 115178623 OZOUMZBXBMJYMK-UHFFFAOYSA-N 345.424 2.752 0 50 EFAA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1c1nccs1 177023069 LYWHRZWSPXSYHL-CYBMUJFWSA-N 340.408 2.747 0 50 EFAA COc1ccc([C@@H]2OCC[C@H]2NC(=O)c2c(F)cccc2F)cn1 348074223 LTKFNBDFEXVVIX-CJNGLKHVSA-N 334.322 2.628 0 50 EFAA CNC(=O)CN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67689236 AVWLVGNHDGQEER-UHFFFAOYSA-N 346.434 2.848 0 50 EFAA COc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc1F 20119626 AYFQWTNVJUQWCU-UHFFFAOYSA-N 325.343 2.850 0 50 EFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 252512041 LSTYMGSYMORXMO-FHLIZLRMSA-N 341.455 2.787 0 50 EFAA CCN(C)C(=O)[C@@H](C)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 252510344 ZHVIVJNWRASEDR-OAHLLOKOSA-N 346.475 2.911 0 50 EFAA CC(=O)N[C@H](CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 229744487 OGGLPOARMKGLIP-MQIPJXDCSA-N 338.835 2.543 0 50 EFAA CN1CC[C@H](CNC(=O)Cc2cc(Cl)ccc2Br)C1 121906051 AXQGYEOTFMVFOT-SNVBAGLBSA-N 345.668 2.713 0 50 EFAA Cn1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)n1 2784701 GHGLNPAFPMJDBN-UHFFFAOYSA-N 333.754 2.710 0 50 EFAA CCc1cnc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 428428705 AMOAYXGGGXVWLD-LJQANCHMSA-N 345.512 2.774 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N(C)[C@@H](COC)c1ccccn1 216083263 HNTGTMGWVSZYMF-SFHVURJKSA-N 344.459 2.956 0 50 EFAA O=C(O)c1ccnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 72164271 JKAAYFFVFAKBQU-MISYRCLQSA-N 349.434 2.846 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc2nc(S)[nH]c12 153491857 RNROYIGMVFGYBY-FZZIBODNSA-N 347.415 2.678 0 50 EFAA Cc1cc(C)c(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)o1 363360987 OIDWGMQSZDITNT-UHFFFAOYSA-N 333.476 2.577 0 50 EFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)CCn3cccc3)C2)c1 72151779 VJIIVLHFWCOSLW-INIZCTEOSA-N 326.396 2.668 0 50 EFAA Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CCNC3)CC2)c1 77342943 WQRICAIZHCQOQM-KRWDZBQOSA-N 338.455 2.701 0 50 EFAA C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(O)nn1 375791516 YLUXSIZSMAFUAJ-IXDGSTSKSA-N 345.418 2.746 0 50 EFAA CCOc1ccc(Cl)cc1CN(C)Cc1cc2n(n1)CCNC2 72159281 PFIWYYAHCAMUBS-UHFFFAOYSA-N 334.851 2.670 0 50 EFAA Cc1cc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)O)n[nH]1 237867976 KCHIRHRPXVHEBO-INIZCTEOSA-N 337.379 2.545 0 50 EFAA Cc1ccc(F)c(C(=O)NCCc2nc(C(=O)O)cs2)c1Cl 219041218 FKRSXTGGGDNQPU-UHFFFAOYSA-N 342.779 2.915 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2)no1 238041746 AILBOZABANPSRQ-QGZVFWFLSA-N 348.358 2.993 0 50 EFAA O=C(CCn1cnnc1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71751508 WIDCCZNKDVGRKN-MRXNPFEDSA-N 330.407 2.679 0 50 EFAA Cc1cnc([C@@H](NC(=O)c2cc(Cn3cccn3)on2)C2CC2)s1 340714696 RVMXEIQHUQVFHJ-AWEZNQCLSA-N 343.412 2.565 0 50 EFAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[C@@H]2CCC[C@H](C1)C2=O 245703689 LUIKVNUEMGHDDE-LONVCWKASA-N 331.456 2.846 0 50 EFAA CC(C)NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2nccs2)C1 222213002 DYOQJUKLXFVFOQ-CVEARBPZSA-N 345.468 2.782 0 50 EFAA O=C(CCN1CCCCCCC1)NCc1ccc(-n2cncn2)cc1 223186786 LFJYQXMCSZHFRH-UHFFFAOYSA-N 341.459 2.540 0 50 EFAA CCOc1ccccc1N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 177666725 AOHYAWHZVQTBGH-SFHVURJKSA-N 345.487 2.607 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)NC1CCCCCC1 426739063 NRMGJVQJEOKPGW-UHFFFAOYSA-N 329.404 2.996 0 50 EFAA O=C(N[C@H]1CCCc2ccccc21)N1CCC(N2CCOCC2)CC1 426689008 ABZUIDKWZFNNFE-IBGZPJMESA-N 343.471 2.570 0 50 EFAA CCOc1ccccc1C(=O)NCC(=O)N1CC2(CCC2)[C@H]1C1CC1 291181057 SNIVXYVPUPCLPU-GOSISDBHSA-N 342.439 2.606 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2cc3ccccc3[nH]2)C1 426571463 JIDKYBFQUJLCDC-CQSZACIVSA-N 326.444 2.936 0 50 EFAA CN(C(=O)CN1CCCCCCCC1=O)C1Cc2ccccc2C1 95507560 HXBOLSPUGBXEEL-UHFFFAOYSA-N 328.456 2.795 0 50 EFAA CCCCN(Cc1ccc(C)cc1)C(=O)Cn1cccc(OC)c1=O 95505882 RJAGOHCTJQJNFN-UHFFFAOYSA-N 342.439 2.994 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCOc2ccccc2C1 95524467 VOHQMMUUSLIXRX-MRXNPFEDSA-N 340.423 2.965 0 50 EFAA Cc1cccc(=O)n1CCC(=O)N[C@H](c1ccccc1)c1ccncc1 97805555 MNVCCDOGMMCNCR-OAQYLSRUSA-N 347.418 2.848 0 50 EFAA COCC1(NC(=O)Nc2ccc(N3CCCC3=O)cc2)CCCC1 96139067 OSHLLFGANZEOLC-UHFFFAOYSA-N 331.416 2.894 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95372697 LZTATWVTWYNCIA-CYBMUJFWSA-N 347.802 2.792 0 50 EFAA CC1(C)CCC[C@@]1(O)CNC(=O)c1cc(=O)c2ccc(F)cc2o1 294553775 WFUKARMALGRVTL-GOSISDBHSA-N 333.359 2.603 0 50 EFAA CCOc1cccc(CN(CCO)c2nc3c(s2)c(C)nn3C)c1 96148064 NYUQNDKBBAXFRY-UHFFFAOYSA-N 346.456 2.736 0 50 EFAA CC(C)N(C(=O)c1ccccc1-c1nc2c([nH]1)CCNC2)C(C)C 95379952 FCFUPLQARHVKHZ-UHFFFAOYSA-N 326.444 2.981 0 50 EFAA Cc1cccc([C@H](C(=O)NCCNc2ncccc2C)N(C)C)c1 91829645 QTAUNRXEZJDTEN-QGZVFWFLSA-N 326.444 2.529 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 96140469 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CC(C)N(Cc1cccnc1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875290515 NDDGIVMKEWKSPK-QWHCGFSZSA-N 328.416 2.878 0 50 EFAA COCC[C@H](NC(=O)c1cc(OC)c(C)c(OC)c1)c1cccnc1 952994579 YSUSYUPWZXXNEL-INIZCTEOSA-N 344.411 2.915 0 50 EFAA CC1(C)CN(C(=O)C23CCCN2CCC3)[C@@H]1c1nccn1C1CC1 952895702 WEUFMKBKDDGRPM-OAHLLOKOSA-N 328.460 2.756 0 50 EFAA Cn1cc([C@H](O)c2nc(-c3ccc(SC(C)(C)C)nc3)no2)cn1 952876448 QHRKQNWMNQYZKL-ZDUSSCGKSA-N 345.428 2.837 0 50 EFAA CCc1nccn1CCC(=O)Nc1c(C)c(C)cc2nc(O)[nH]c12 952969316 MOOBXCKZFOOVRV-UHFFFAOYSA-N 327.388 2.673 0 50 EFAA C[C@@H]1CNCC[C@@H]1NC(=O)Cc1ccc2c(c1)c1ccccc1n2C 1076075042 KLJYUPGTYRMTGT-KDOFPFPSSA-N 335.451 2.988 0 50 EFAA CN(CCOc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@H](CN)CC1 892451108 RIQNZVSZUCWDDE-CTYIDZIISA-N 339.867 2.878 0 50 EFAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNc1nc2ccc(F)cc2o1 893327737 FFVZENOUAPTWML-STQMWFEESA-N 347.369 2.725 0 50 EFAA O=C(Cc1ccc2n[nH]cc2c1)N1Cc2ncccc2N2CCC[C@H]2C1 890626425 KYPGWFCPGOZPLL-INIZCTEOSA-N 347.422 2.512 0 50 EFAA Oc1cc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)ncn1 1774589945 MXPMUVGADUIUFB-GFCCVEGCSA-N 325.290 2.779 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc3c[nH]nc3c2)C1 1775957538 ZYSZVYYSJVANTG-FUHWJXTLSA-N 338.411 2.626 0 50 EFAA CSc1nc(NC(=O)CCCn2cccn2)cc(C(F)(F)F)n1 1775999228 RMYAALPVLAHZHP-UHFFFAOYSA-N 345.350 2.833 0 50 EFAA COCCOCc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 1472850114 RWPXJPKSSAZCPE-UHFFFAOYSA-N 325.372 2.569 0 50 EFAA CCOC(=O)c1cnc(C)c(C(=O)N2CCc3c(F)cccc32)c1 274041318 FKYNVLCMLMNSDW-UHFFFAOYSA-N 328.343 2.909 0 50 EFAA Cc1ccc(CC[C@H](C)NC(=O)CN2C(=O)Cc3ccccc32)o1 669260180 YRUFZNSJDUYJCT-ZDUSSCGKSA-N 326.396 2.615 0 50 EFAA O=C(NC[C@@H](O)c1ccccc1F)c1cnc(-c2ccccc2)nc1 304522371 KOJIHCIZXCJAFL-QGZVFWFLSA-N 337.354 2.746 0 50 EFAA CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1cccnc1)CC2 408521781 GTFUZPWHMNXQHN-UHFFFAOYSA-N 331.416 2.697 0 50 EFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CC(C)(C)C1(C)C 170017720 BAHLXZNHSDASIB-UHFFFAOYSA-N 330.432 2.631 0 50 EFAA COc1cccc(N2CCC[C@H](NC(=O)c3ccncc3C)C2)c1 170083102 DBBXHXWVHLETTF-HNNXBMFYSA-N 325.412 2.797 0 50 EFAA O[C@@H]1CCCC[C@@H]1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 222006744 QMSDFOYTDUYNFP-ARFHVFGLSA-N 327.371 2.965 0 50 EFAA FC(F)(F)c1ccc(N2CCCN(Cc3ncc[nH]3)CC2)nc1 109827176 OHJYFJFTZKNHLT-UHFFFAOYSA-N 325.338 2.536 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1 170638161 IZROXZGWGRVKGP-ZNMIVQPWSA-N 345.399 2.578 0 50 EFAA COC(=O)c1ccc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cc1OC 280476047 JVLMMVXQWRFYOZ-NSHDSACASA-N 336.388 2.513 0 50 EFAA Cc1ccnc([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)nc2)n1 636042720 LALJIIAZQQTFEU-HNNXBMFYSA-N 339.443 2.907 0 50 EFAA COc1cc(CN2CC[C@H](NC(=O)c3coc(C)c3)C2)cc(OC)c1 188346147 CUIUBZRLDRHNAE-INIZCTEOSA-N 344.411 2.610 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(NCC[C@@H]3CCCO3)cc2)C[C@@H](C)O1 189625271 SXEYODCZKSLQMC-DAYGRLMNSA-N 332.444 2.917 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(Cl)c1 191817506 AMQRLFQUVVDFDR-CYBMUJFWSA-N 330.819 2.837 0 50 EFAA CCc1onc(C)c1C(=O)NCc1cccc(CN2CCCC2=O)c1 192686249 MPCFSWSUXIQRHN-UHFFFAOYSA-N 341.411 2.598 0 50 EFAA Cc1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(N(C)C)nn1 667476039 KPWIJYODZHRGFL-SWLSCSKDSA-N 325.416 2.701 0 50 EFAA COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 580677 FQCGFQFIYIWFNI-MDWZMJQESA-N 340.335 2.507 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(CC(C)C)cc3)C[C@H]2O)n[nH]1 1704352533 UVCRUMOWPDJJSY-IEBWSBKVSA-N 341.455 2.592 0 50 EFAA Cc1ncc(CN(CCN(C)C)C(=O)C[C@H]2CCc3ccccc32)[nH]1 1704335739 DVSIXNBAOZDIEY-QGZVFWFLSA-N 340.471 2.728 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2cc(Br)cs2)C1 237776736 AWQQOWGGIIFIPW-ZDUSSCGKSA-N 346.246 2.766 0 50 EFAA Brc1cnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)nc1 369472123 RPPIVFIEQFSSCK-RYUDHWBXSA-N 326.238 2.882 0 50 EFAA CCCCN(C)Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1 12038975 ZVUCDOJCUXKUFJ-UHFFFAOYSA-N 333.457 2.598 0 50 EFAA CN1C(=O)CCC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 12041739 XPQZBJHXPBPMAG-UHFFFAOYSA-N 346.858 2.985 0 50 EFAA O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12437430 XQCRHKRLJJMSHM-HXUWFJFHSA-N 344.430 2.967 0 50 EFAA Fc1ccccc1COc1ccccc1CNCCN1CCOCC1 19872027 SVSSWYKMXKBUFC-UHFFFAOYSA-N 344.430 2.827 0 50 EFAA Cc1cn2nc(C(=O)NC3CCCCC3)cc2c(N2CCCC2)n1 169768695 MWRQFNISGZFKSK-UHFFFAOYSA-N 327.432 2.700 0 50 EFAA COCCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2cnc[nH]2)cc1Cl 1857530765 KJAZFMZHGRECCS-RYUDHWBXSA-N 335.791 2.831 0 50 EFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(Cc2ccncc2)C1 1857728536 GEOUTCXSVBGTHI-FQEVSTJZSA-N 336.439 2.935 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC[C@@H]2C(F)(F)F)cc1 408518039 SHPMFURIJBYQFH-CYBMUJFWSA-N 342.361 2.877 0 50 EFAA COc1ccc(C2(CNC(=O)[C@@H]3CCNC3)CCCCC2)cc1OC 225472873 SGHBRUDKLJGETI-OAHLLOKOSA-N 346.471 2.631 0 50 EFAA CCOC(=O)[C@H](NC(=O)c1ccc(C)cc1Cl)C1CCOCC1 427371453 CEKXAGZQUADANX-OAHLLOKOSA-N 339.819 2.737 0 50 EFAA Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1CC(C)C 331459660 AMLFRMABKNIKAA-SJLPKXTDSA-N 345.418 2.935 0 50 EFAA Cc1noc(CN2CCCC[C@H](Nc3nc4ccccc4o3)C2=O)n1 643699921 INCBOZWPQCZRKL-ZDUSSCGKSA-N 341.371 2.512 0 50 EFAA CCc1nc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n[nH]1 248590781 RERJOAZWWMCOCU-STQMWFEESA-N 340.349 2.694 0 50 EFAA Cc1c(C(=O)N2CCO[C@@H](c3ncon3)C2)oc2c(Cl)cccc12 253427647 GIOCOMOBCFGCOP-GFCCVEGCSA-N 347.758 2.991 0 50 EFAA O=S(=O)(c1cnc[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 363063293 YTHWVWWPRSCAQQ-KRWDZBQOSA-N 339.420 2.746 0 50 EFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nc(N(C)C)no3)C2)cc1 367760221 YUNZGHQYLXFONA-ZFWWWQNUSA-N 343.431 2.532 0 50 EFAA Cc1cc(CNC(=O)N2CCN(Cc3ccccn3)CC2)ccc1F 159081396 AWFADKIUZAZAAC-UHFFFAOYSA-N 342.418 2.557 0 50 EFAA CCOC(=O)N1CCC([C@H](C)NC(=O)c2c[nH]c3nccc-3c2)CC1 496714901 JIURLVCWQSSPJO-LBPRGKRZSA-N 344.415 2.501 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c(Cl)c1 398159262 FMRKCIGWJMUJHZ-SNVBAGLBSA-N 339.747 2.504 0 50 EFAA CC(C)c1cccc(C(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1 1704301401 XUXSBCRHEBNOEC-XLIONFOSSA-N 345.439 2.888 0 50 EFAA C[C@@H]1CCOCCN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 841323037 DDAHDFHQWWDKPL-SNVBAGLBSA-N 331.338 2.807 0 50 EFAA COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c1 13125257 BQKXUXIWOXPRBE-HNNXBMFYSA-N 328.372 2.527 0 50 EFAA CCCn1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)n1 2325769783 MIGHCLRPLXXWKM-UHFFFAOYSA-N 326.322 2.679 0 50 EFAA O=C(CCCCCc1ccc(O)cc1)N[C@H]1C[C@@H](Cn2cncn2)C1 2325798436 GGHHUEAKYCLREI-CALCHBBNSA-N 342.443 2.682 0 50 EFAA CC(C)n1ncc(Br)c1C(=O)N[C@@]12C[C@H]1COC2(C)C 2325811338 QEKBYVQLLPWETM-XPTSAGLGSA-N 342.237 2.524 0 50 EFAA O=C(Cc1ccoc1)NCc1cnc2ccc(Br)cn12 2325849933 GDQQSVPRNRZTIA-UHFFFAOYSA-N 334.173 2.549 0 50 EFAA O=C(NCCc1ccoc1)c1cnc2c(Br)cccn12 2325850419 XXHKXLVEUCGGFR-UHFFFAOYSA-N 334.173 2.662 0 50 EFAA CCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1 460876 ZFIIUFYNWKWVDJ-UHFFFAOYSA-N 335.787 2.873 0 50 EFAA CC(C)[C@H]1C=CCN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356156742 OICZTNQMTCFZJM-OAHLLOKOSA-N 346.496 2.936 0 50 EFAA O=C(NCc1ccncc1)c1ccc(I)cc1 2965833 AQEXGCDFUNEBLQ-UHFFFAOYSA-N 338.148 2.616 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc3[nH]c(C)c(C)c3c1)C2 2356170921 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Cc1nc(O)c(C(=O)N2CCC(F)(F)[C@@H](C)C2)cc1Br 356746072 QPLJSBQVDIGUSN-ZETCQYMHSA-N 349.175 2.975 0 50 EFAA CN(CC[C@@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328638107 OWPQITNISFYZFX-ILXRZTDVSA-N 340.464 2.546 0 50 EFAA CSc1nc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cs1 215625461 YDFYHOVTXMQHJH-UHFFFAOYSA-N 330.438 2.981 0 50 EFAA O=C1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C2(CCC2)N1 282616343 FEAVQNXGJYHZPS-CYBMUJFWSA-N 328.334 2.718 0 50 EFAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCc3ccsc3C2)c1C 123753446 KRPPJGAIPBCELY-UHFFFAOYSA-N 349.477 2.967 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1C 6819430 YRFJWQWPSYDRFU-MRXNPFEDSA-N 331.412 2.842 0 50 EFAA Fc1ccc(OCCN(Cc2cncnc2)[C@@H]2CCCNCC2)cc1 435721697 JLFFZNLRNXZNOW-GOSISDBHSA-N 344.434 2.639 0 50 EFAA CC(C)[C@@H]1CN(CC(=O)NC2CC2)CCCN1Cc1ccc(F)cc1 71763326 GBYICJXNZHCZDS-IBGZPJMESA-N 347.478 2.637 0 50 EFAA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1scc2c1OCCO2 219511895 TWAVSFDUOYQEQO-ATGSNQNLSA-N 349.452 2.843 0 50 EFAA 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COc1ccc(C(C)=O)cc1NC(=O)NCc1csc(N(C)C)n1 96150136 YOQGCQAUJUNLAW-UHFFFAOYSA-N 348.428 2.742 0 50 EFAA Cc1ccc2nc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)sc2c1 239173800 ORWAIBLRBPYKIS-YHSMRFHHSA-N 328.393 2.741 0 50 EFAA O=C(CSC[C@H]1CCCN2CCCC[C@@H]12)NCCc1ccccn1 334161091 SUUHDEJURSMEOQ-AEFFLSMTSA-N 347.528 2.738 0 50 EFAA Cc1ccccc1CC1(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 91746135 CKFPLDHSDRVBDX-QGZVFWFLSA-N 340.467 2.977 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)n(C)c12 91693749 JKOZHQRVWBEFGJ-HXUWFJFHSA-N 339.439 2.571 0 50 EFAA O=C(NCCNc1nccc(-c2cccnc2)n1)c1ccc(F)cc1 97529004 YHFZBDSWSFATCE-UHFFFAOYSA-N 337.358 2.520 0 50 EFAA CC(C)(C)c1csc(NC(=O)CN2CC(N3CCCCC3)C2)n1 244734864 NNDGBIDETQUVJV-UHFFFAOYSA-N 336.505 2.549 0 50 EFAA COCCn1cncc1CN1CCCC[C@@H]1CCc1ccccn1 244724734 MZTMZBCJGFVJDZ-GOSISDBHSA-N 328.460 2.912 0 50 EFAA O=C(Nc1ccnnc1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 297468409 SESOJRNRHYBYKM-VIFPVBQESA-N 340.309 2.630 0 50 EFAA COc1cccc(OC2CN([C@@H](C)C(=O)NC3CCCCC3)C2)c1 252488985 JDGYOXBGLIDNHA-AWEZNQCLSA-N 332.444 2.596 0 50 EFAA CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CCO1 183649867 HGNPGSROEOOWCM-XUVXKRRUSA-N 344.499 2.872 0 50 EFAA Cc1noc(CCC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 299264787 HNWBXBJLSAXEDG-UHFFFAOYSA-N 331.391 2.931 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299745693 RVXVLLUEQZUUQY-AWEZNQCLSA-N 341.415 2.634 0 50 EFAA CCCSCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 534654352 GKVIWMXAAAJILW-UHFFFAOYSA-N 349.500 2.864 0 50 EFAA Cc1nn(C)cc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 534591822 SSRXRPQJPXEZTG-HNNXBMFYSA-N 327.428 2.942 0 50 EFAA O=c1oc2cccnc2n1CCN1CC[C@H](c2c(F)cccc2F)C1 185328273 ZQEOSWUFSQFEFG-LBPRGKRZSA-N 345.349 2.757 0 50 EFAA N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)C(F)(F)F)c1ccccc1 33997716 GIBMTDKHCXCSNA-KBPBESRZSA-N 344.358 2.867 0 50 EFAA COc1cccc(C(=O)N[C@@H](C)c2ccc(C)nc2)c1OCCCN 299790583 AVTDKGYFWKVNBN-AWEZNQCLSA-N 343.427 2.617 0 50 EFAA COc1ccc2c(c1)c(C(=O)NCCn1cnc(C)c1C)c(C)n2C 824757829 LXMSAVRDFUOLMA-UHFFFAOYSA-N 340.427 2.739 0 50 EFAA COc1ccccc1Cc1nc([C@H](C)N2C[C@H](C)O[C@H](C)C2)n[nH]1 824821914 XQJSTQJQFQOAOR-MJBXVCDLSA-N 330.432 2.574 0 50 EFAA Cc1nc(-c2nc(-c3ncc[nH]3)nn2[C@@H](C)C2CCOCC2)c(C)o1 1875331174 SQXSWZZZMJLABO-JTQLQIEISA-N 342.403 2.928 0 50 EFAA O=C(N[C@H](CO)Cc1cccc(F)c1)c1nsc2ccccc12 1875309288 DULJLBJHHKGBPC-ZDUSSCGKSA-N 330.384 2.769 0 50 EFAA O=C(Nc1cccc(OCCCc2nn[nH]n2)c1)[C@H]1CC=CCC1 1875324079 GFFBYYZDEPEVQA-ZDUSSCGKSA-N 327.388 2.506 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2Cc2cnn(-c3ccccc3)c2)nc1 1875282423 DCEXRSFVGYUOTR-QGZVFWFLSA-N 349.394 2.698 0 50 EFAA CCOc1ccc2nc(N3CCC[C@@H](c4n[nH]c(=N)o4)C3)sc2c1 1875287203 YKCUQLOWTUQEKX-SNVBAGLBSA-N 345.428 2.875 0 50 EFAA CCCN1C[C@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 1875266056 LBXIUYZVWHYSFY-CHWSQXEVSA-N 342.395 2.541 0 50 EFAA Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCc3cn[nH]c32)N(C)C)cc1 268909285 NQMUAAAFWKKWDI-DLBZAZTESA-N 341.459 2.698 0 50 EFAA 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342.443 2.673 0 50 EFAA O[C@H](CN1CC[C@H](c2nc(C3CC3)no2)C1)c1c(F)cccc1F 375474551 ZVNYYTXBTLJUJV-SMDDNHRTSA-N 335.354 2.748 0 50 EFAA C[C@H](Cn1cnc2c(nnn2-c2ccccc2)c1=O)c1ccccc1 128368387 WVEDMTFQMDPAQS-CQSZACIVSA-N 331.379 2.781 0 50 EFAA Cc1ccc(-c2nc(CCNC(=O)NC[C@H](O)C3CCC3)co2)cc1 458238816 NLPPWLCGIREGFC-KRWDZBQOSA-N 343.427 2.653 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CC[C@H](N)C[C@H]3C)c(C)o2)cc1 237462403 SOHZDZGGDLYXGH-RISCZKNCSA-N 329.400 2.610 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(OCc2ccccn2)cc1 237493501 CUFUWECKHKQCCP-ZBFHGGJFSA-N 325.412 2.612 0 50 EFAA O=C(c1ccc(F)cc1O)N1CCC(OCc2cccnc2)CC1 215823284 OLXPSKKDRAKOPW-UHFFFAOYSA-N 330.359 2.748 0 50 EFAA C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72407710 HVQVOVHJGYEJCZ-ZOXCZHJPSA-N 341.455 2.779 0 50 EFAA NC[C@@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn23)C1 72406971 XVEFZSAGQIYHBZ-ZDUSSCGKSA-N 325.391 2.711 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@H](C(=O)O)CC[C@@H]2C)c1 263237390 RGLIVSNIOBYEPJ-LSDHHAIUSA-N 331.412 2.978 0 50 EFAA Cc1c(C(=O)N2CCC3(CC2)OCCC[C@H]3O)n(C)c2ccccc12 215257152 HDZYCZORJRQZCX-QGZVFWFLSA-N 342.439 2.633 0 50 EFAA Nc1ccnc(N2CCC(Cc3ccccc3Cl)(C(=O)O)CC2)n1 71750150 BINXBNFIEPNWBD-UHFFFAOYSA-N 346.818 2.626 0 50 EFAA O[C@H]1CCCN(C2CCN(Cc3c(Cl)cncc3Cl)CC2)C1 72473564 FCSMVVIECCLEST-ZDUSSCGKSA-N 344.286 2.810 0 50 EFAA C[C@H]1OCCN(C(=O)c2cccc(F)c2)[C@@H]1c1nc(C2CC2)no1 285548506 XZHUHUYXCZWMFX-YGRLFVJLSA-N 331.347 2.688 0 50 EFAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(-n2cnnn2)cc1 47460020 KNARAUSALZSUMW-UHFFFAOYSA-N 348.410 2.510 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cccc(-c3ccoc3)c2)C1 285734487 KQWNLOSMIGQAFL-CVEARBPZSA-N 338.367 2.667 0 50 EFAA CCN1C[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1=O 48350362 QLMNMADGFKDAFR-CQSZACIVSA-N 332.419 2.622 0 50 EFAA COC(=O)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1C 17070660 XUAYPCVQGSHOOF-UHFFFAOYSA-N 335.473 2.839 0 50 EFAA C[C@H](C(=O)O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 263558028 PLKSOLSBZXEGLB-HGNGGELXSA-N 344.180 2.671 0 50 EFAA CCOC(=O)c1c(C)csc1NC(=O)N1CCN2CCC[C@H]2C1 179204093 ZSSUUMYSNOJLNO-LBPRGKRZSA-N 337.445 2.545 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1nc3ccc(Cl)cc3[nH]1)C2 426684577 WOZXMFOUGJRLEE-CDMJZVDBSA-N 348.834 2.783 0 50 EFAA Cc1cnn(C[C@H]2CN(Cc3ccc(C(C)C)nc3C)CCO2)c1 293183766 SSEJOIMPFARKOF-GOSISDBHSA-N 328.460 2.919 0 50 EFAA CCc1nc(C(C)C)ccc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 293623446 WIEUDZQXSPJFKI-IBGZPJMESA-N 345.487 2.591 0 50 EFAA CCCc1cc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)nc(C)n1 95504096 RHQPICSACVKQJD-YLJYHZDGSA-N 339.439 2.712 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@](CC2CC2)(C(=O)O)C1 91486863 JZUYLOCLETWVCU-GOSISDBHSA-N 334.416 2.718 0 50 EFAA C[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2[nH]1 96118862 KICMDPZCDXGSHK-NSHDSACASA-N 332.367 2.839 0 50 EFAA CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 140103880 NSNGWOAXKWOINS-UOVKNHIHSA-N 331.368 2.549 0 50 EFAA CC(C)=CCN1CC2(CCN(C(=O)c3csc(C)n3)CC2)CC1=O 92080416 SWGMIIQEXXTSBF-UHFFFAOYSA-N 347.484 2.872 0 50 EFAA O=C(c1ccc(CN2CCCC2)o1)N1CCN[C@H](c2ccccc2)C1 97797510 NBCVBXDTDJPFGQ-SFHVURJKSA-N 339.439 2.662 0 50 EFAA CCn1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1Cl 236965163 JLKRNXGCQDVJME-LLVKDONJSA-N 327.812 2.582 0 50 EFAA CN(C)c1ccc(CC(=O)N2CCC[C@](CC3CC3)(C(=O)O)C2)cc1 91726026 CXLZFXZZRUTMKH-HXUWFJFHSA-N 344.455 2.789 0 50 EFAA O=C1CCCN1CCN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 244884276 YISNSCZZIVRTMV-UHFFFAOYSA-N 330.407 2.504 0 50 EFAA C[C@]1(O)CCCN(C(=O)NCc2cccc(C(F)(F)F)n2)CC1 298171985 QUMPSSYNJCESCG-AWEZNQCLSA-N 331.338 2.547 0 50 EFAA O=C(NCCCN1CCCCCC1)c1cccc(Cn2ccnc2)c1 298662678 OXTYPBQWBGCMGP-UHFFFAOYSA-N 340.471 2.927 0 50 EFAA COCc1nc(O)cc([C@H]2C[C@H](Nc3ncnc4ccsc34)C2)n1 253535933 YCYQADAKJYDEEK-MGCOHNPYSA-N 343.412 2.691 0 50 EFAA COC[C@H](C)N(Cc1ccccc1OC)C(=O)[C@H]1CC[C@@H](O)CC1 257372193 NSTDCENMZUWHEQ-YQQAZPJKSA-N 335.444 2.610 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)NC1(c2cc(F)cc(F)c2)CC1 299756466 ITSHCUMRMCZKDD-UHFFFAOYSA-N 347.365 2.815 0 50 EFAA CCCc1ccc(OCCNC(=O)[C@H]2CCCCN2C(C)=O)cc1 823010364 SJABBOOWQQSULZ-GOSISDBHSA-N 332.444 2.535 0 50 EFAA COc1ccc(CC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1F 269612167 WKEWVBDRXFNTRZ-ADLMAVQZSA-N 335.350 2.754 0 50 EFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccn(C)c2C)C1 670444649 VPZAKNOBAFUXJG-QGZVFWFLSA-N 325.456 2.861 0 50 EFAA C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC=C(C(C)(C)C)CC1 270487713 UEAMXTKAYLDOKX-LLVKDONJSA-N 335.477 2.693 0 50 EFAA O=C(N[C@H](CO)c1c(F)cccc1F)c1cc2c(s1)CCOC2 271558883 PUWGRJQURAVCQH-GFCCVEGCSA-N 339.363 2.562 0 50 EFAA COc1ccccc1C1CC(NC(=O)[C@H]2CCc3n[nH]c(C)c3C2)C1 1875288739 ANPQEMIVMGTWBS-NFOMZHRRSA-N 339.439 2.894 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]2C[C@H]21)c1ccccc1N1CCOCC1 1875258056 KDTPPOARPDDARX-RLFYNMQTSA-N 329.444 2.778 0 50 EFAA Cc1cccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)[nH]c12 1875342284 JADOBFMXSJXYNT-UHFFFAOYSA-N 329.381 2.527 0 50 EFAA Nc1c(C(=O)N2CCC23CCOCC3)cnn1-c1cccc(Cl)c1 1875322196 LLVAKZCCVNNOSZ-UHFFFAOYSA-N 346.818 2.503 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@H]2C[C@H](c3nc(C)no3)C[C@H]2O)c1 952885927 CIMASEHOFHNOBR-GZBFAFLISA-N 349.818 2.624 0 50 EFAA CCSc1nc(C)c([C@@H](CC)C(=O)NCCNC(=O)OC)s1 952993127 DPQJSSVSDKHPKU-SNVBAGLBSA-N 345.490 2.529 0 50 EFAA Cc1cc(CNCc2nc(O)n[nH]2)c(C)c(CN2CCCC[C@H]2C)c1 952978391 LCOYTHHQLGCOQN-CQSZACIVSA-N 343.475 2.791 0 50 EFAA COCc1nc(O)cc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1 892191408 FMQVJSJSSFOZEG-GFCCVEGCSA-N 334.445 2.786 0 50 EFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 245758801 VGWSLFUGNULBMN-RCCFBDPRSA-N 345.439 2.943 0 50 EFAA Oc1cc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)ncn1 1774589946 MXPMUVGADUIUFB-LBPRGKRZSA-N 325.290 2.779 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)nc2)CCO1 279095836 IUFRSZZPRUNIBP-OAHLLOKOSA-N 332.448 2.961 0 50 EFAA COc1ccc(C(=O)N[C@H](C(=O)N(C)C2CCCC2)C(C)C)cc1 170610579 FAWTZJAUWSXTRW-KRWDZBQOSA-N 332.444 2.851 0 50 EFAA O=C(NC[C@@H](O)c1ccsc1)c1cnc(-c2ccccc2)nc1 304248466 AWNKRRHGJBQLGC-OAHLLOKOSA-N 325.393 2.669 0 50 EFAA O=C(CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)NS(=O)(=O)CC1CCC1 408481303 IOEDLDSDXRGZIP-QBBMROGASA-N 343.464 2.931 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@H]2CNC[C@@H]2C1 408520184 RLXQOMPEXOVWEW-MYZSUADSSA-N 338.373 2.877 0 50 EFAA COc1ccc(-c2nccc(N3CCC([C@@H]4CCNC4)CC3)n2)cc1 634809398 RDXHLNNXXFIRMH-QGZVFWFLSA-N 338.455 2.978 0 50 EFAA CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[C@@H](O)CC(F)(F)F)C1=O 189392887 ANFLVBCETTXGSQ-XJKSGUPXSA-N 343.345 2.715 0 50 EFAA CCc1nc2c(s1)[C@H](N(C)C(=O)CCc1cncn1C)CCC2 189302849 CCRUIPZRXFTEOT-CQSZACIVSA-N 332.473 2.908 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)cn1 189660879 PLKJKYQQMBBSEI-GJZGRUSLSA-N 331.464 2.804 0 50 EFAA O=C1[C@@H](NC[C@H]2CCC=CO2)CCCN1Cc1ccc(F)cc1F 189890874 TZYNGPOHZDJMBL-WBVHZDCISA-N 336.382 2.738 0 50 EFAA C[C@@H](CNC(=O)N[C@@H]1CCCc2c(O)cccc21)Cn1cccn1 191499539 LSJOCMBCEULNFO-XJKSGUPXSA-N 328.416 2.602 0 50 EFAA O=S(=O)(Cc1c(F)cccc1F)Nc1cnc2ccccc2n1 194600143 UWRANWOXOGXOAT-UHFFFAOYSA-N 335.335 2.850 0 50 EFAA COc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(C)n1 653540714 QYBDJOGBWGIXSZ-ADEWGFFLSA-N 335.404 2.656 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 653674871 VEUIWOFECZTGMA-IAGOWNOFSA-N 337.375 2.562 0 50 EFAA NCC1(CC(=O)N2CCc3nc(-c4ccccc4)sc3C2)CC1 659346363 CEUSNVLWXSVZPW-UHFFFAOYSA-N 327.453 2.824 0 50 EFAA O=C(NC1COC1)c1ccc(-c2cc(F)ccc2OC(F)F)cn1 665146514 VTDOZCSORITWSV-UHFFFAOYSA-N 338.285 2.618 0 50 EFAA COCc1cc(NC(=O)NCC(F)(F)c2ccc(F)cc2)ncn1 666380255 BPAXDYJLTFOUCF-UHFFFAOYSA-N 340.305 2.676 0 50 EFAA O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC2(CCC2)C1 759317449 JFWBFEGCADMWFG-UHFFFAOYSA-N 326.396 2.913 0 50 EFAA CC1=CC2(CCN(C(=O)c3ccccc3-n3cncn3)CC2)OCC1 1704315172 PFPCSKMFXSKKRA-UHFFFAOYSA-N 338.411 2.609 0 50 EFAA COC(=O)c1cc(NCc2cncn2C)cc(Br)c1F 408514490 ANAYCYDBZALFHH-UHFFFAOYSA-N 342.168 2.720 0 50 EFAA O=C(NCCc1ccccc1)N1CCC(Cc2ccc(O)nc2)CC1 1772812166 CWHJAMWUIJXZPU-UHFFFAOYSA-N 339.439 2.994 0 50 EFAA CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388200 RTNKVSDCMTWUKT-UHFFFAOYSA-N 349.390 2.948 0 50 EFAA CCCOc1ccc(Br)cc1S(=O)(=O)n1cccn1 11614096 SSRHLCRZBZJPEG-UHFFFAOYSA-N 345.218 2.671 0 50 EFAA COc1ccc(OCc2nc(C(=O)N(C)Cc3ccno3)co2)cc1 11816342 HWDPBSUEUSDWMK-UHFFFAOYSA-N 343.339 2.522 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1ccccn1 12319113 VXPQGMPRZQWGQN-IBGZPJMESA-N 347.422 2.870 0 50 EFAA CC(=O)NC[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 12593770 QHYBILCXFXWRHG-CYBMUJFWSA-N 348.834 2.738 0 50 EFAA Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)c1 13957881 AQXFLDDGSYRCGX-UHFFFAOYSA-N 343.408 2.866 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)c1cn(CCCc2ccccc2)nn1 15071893 RELAYGVOPCDTKA-KRWDZBQOSA-N 342.443 2.600 0 50 EFAA CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](CN3CCOCC3)O2)cc1 19799096 PMSZKNSSEIHHKV-RTBURBONSA-N 333.472 2.990 0 50 EFAA CN1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 19860662 BCIIGQVTJATQIO-UHFFFAOYSA-N 339.464 2.616 0 50 EFAA C[C@@H](c1cccnc1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 150996451 UXNZUZVLUFKFRO-NSHDSACASA-N 325.343 2.895 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)cc1 1857715720 DZIUVDGTTPKFOG-QEUVDIPISA-N 340.467 2.614 0 50 EFAA C[C@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 408524034 XAHCWEICYIZBDZ-GWCFXTLKSA-N 339.233 2.870 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@@H](C)[C@H]3CN)c2)cc1 237447383 WXNCUUORHJONMM-AUUYWEPGSA-N 339.439 2.957 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@H]1C(F)F 344344712 BZSWOJVMYZMXSG-AWEZNQCLSA-N 338.333 2.951 0 50 EFAA Cc1noc([C@@H]2CN(C(=O)c3c(C)oc4ccccc34)CCN2C)n1 344587928 GZACBDIXZHJFAA-AWEZNQCLSA-N 340.383 2.562 0 50 EFAA CC1=CC[C@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)C[C@H]2C1 247839550 PCMCJTVASPWKOL-ZWKOTPCHSA-N 332.469 2.578 0 50 EFAA CC[C@@H](O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 252494941 OIRAFPDYCAXCOH-QGZVFWFLSA-N 347.459 2.601 0 50 EFAA CCCn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c1C 253478398 KSIDZEZJZJSCJL-ROUUACIJSA-N 344.503 2.938 0 50 EFAA CC1=C(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CCCO1 151959760 PLGCUTOPHNUVPJ-OAHLLOKOSA-N 331.347 2.807 0 50 EFAA CN1C(=O)Cc2cc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)ccc21 365302274 AVENJRGAGCZKLD-INIZCTEOSA-N 342.782 2.801 0 50 EFAA O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@H]1CO 155922029 YODURBJCKNQUTJ-QPUJVOFHSA-N 338.276 2.735 0 50 EFAA C[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)[C@@H]1CN 156696004 ZCOKKNGQHFPPPN-HNAYVOBHSA-N 339.439 2.860 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CC(c3nc(C)no3)C2)c1C1CC1 373087587 MWYKCDMZKKODRK-JTQLQIEISA-N 329.404 2.663 0 50 EFAA COc1cc(C(=O)N2CCCc3c(Cl)ccc(OC)c32)ncn1 903116666 MLCWKOXTIPFVFH-UHFFFAOYSA-N 333.775 2.740 0 50 EFAA CCN1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cncc(C)c3)C2)[C@H]1C(C)C 903121731 VFYFYIAWVAUHNT-RUGGUXRKSA-N 331.504 2.910 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)C[C@H]2CC(=O)Nc3ccccc32)cc1 934760316 CWFLYSWASNJQOM-YJBOKZPZSA-N 338.407 2.661 0 50 EFAA C=CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1120459100 FCSUMDNFLQIFJP-CYBMUJFWSA-N 326.318 2.671 0 50 EFAA Cn1nnc2cc(NC[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21 843422979 KEHMQUCZTCODNE-KZULUSFZSA-N 343.431 2.637 0 50 EFAA Cc1c(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)cnn1C 40285975 YMQJSAVUZJIBLF-UHFFFAOYSA-N 328.376 2.625 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)NCc2ccc(C3CCCCC3)cc2)N1 2325796146 VXAXYJWFQWPXLV-SJORKVTESA-N 330.428 2.556 0 50 EFAA O=C(O)[C@H](Cc1cncc(F)c1)NCc1cncc2ccccc12 2325851449 ZWFPUQZYZSJLSG-KRWDZBQOSA-N 325.343 2.554 0 50 EFAA CS(=O)(=O)c1coc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 2325869979 DXXXDOQHYSKPCI-INIZCTEOSA-N 349.452 2.517 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)[C@H](C)C1 110604271 MVYDGTGDJMURAC-KONPQCLYSA-N 337.508 2.611 0 50 EFAA O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1 266631 BWRRIJCAJVWBBG-UHFFFAOYSA-N 330.334 2.563 0 50 EFAA CCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 441323 VNIXNXIQVMEKML-UHFFFAOYSA-N 339.424 2.956 0 50 EFAA COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br 452247 HAKCQNFJULULCS-UHFFFAOYSA-N 345.262 2.861 0 50 EFAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)n2ncnc2N1 529177 RBFZVDSHFYVDCF-HNNXBMFYSA-N 349.350 2.534 0 50 EFAA COc1cccc(-c2noc(CCC(=O)NCc3ccco3)n2)c1 2876350 RJOKSBYPVLDNNO-UHFFFAOYSA-N 327.340 2.587 0 50 EFAA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2F)CC1 4841200 DDVXCYPGAVZEAZ-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA COc1ccc(S(=O)(=O)Nc2noc3ccccc23)cc1OC 6800806 LOLUGIFSNHSGQA-UHFFFAOYSA-N 334.353 2.646 0 50 EFAA CCc1nnnn1-c1ccccc1NC(=O)[C@@H]1CCOc2ccccc21 136638615 HOVONUATOGMJCR-CQSZACIVSA-N 349.394 2.730 0 50 EFAA C[C@H]1CCC[C@@H](OCC(=O)NCCC(=O)OC2CCCCC2)C1 225761494 VPTLJDCJBHPJRQ-GOEBONIOSA-N 325.449 2.964 0 50 EFAA Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1F 134413685 KEMHTMZKUWHVGL-AWEZNQCLSA-N 344.390 2.776 0 50 EFAA Cc1ccc(OCCN(C)C(=O)CCCN2CCCC2=O)c(C)c1 55360269 YZLMBNSRFLQRMO-UHFFFAOYSA-N 332.444 2.543 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cnn(C)c1 248101868 DZORWNUATYAXPC-ULQDDVLXSA-N 325.412 2.896 0 50 EFAA Clc1ccc(OCCCN2CCNCC2)c(Br)c1 20272505 ALZQFKGRSDXUBZ-UHFFFAOYSA-N 333.657 2.777 0 50 EFAA CC(=O)Nc1ccc(-c2cn(Cc3cnc4ccccn34)nn2)cc1 67459541 JDWXESRBYZHTGS-UHFFFAOYSA-N 332.367 2.600 0 50 EFAA CC(C)(C)CC(=O)N1CCC(n2cc(C3(O)CCCC3)nn2)CC1 65397418 DEAFVNOZDNNBMI-UHFFFAOYSA-N 334.464 2.639 0 50 EFAA Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](c3nc(C)no3)C2)cc1 249706458 OJSYTZUQEFFREL-RHSMWYFYSA-N 342.443 2.571 0 50 EFAA Fc1ccccc1N1CC[C@H](c2nc(-c3n[nH]c(C4CC4)n3)no2)C1 351151558 FBTZNVJAMIOZAV-NSHDSACASA-N 340.362 2.865 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](n2ccnc2)C1 65526928 OBJYILJBUYTGPY-GOSISDBHSA-N 349.438 2.702 0 50 EFAA Cc1cccc(-n2nc(CCc3ccccc3)nc2C2(C(N)=O)CC2)c1 65371567 CBIIMDJQFZUSMJ-UHFFFAOYSA-N 346.434 2.878 0 50 EFAA CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3C=C[C@H]2C)cc1 252140010 GRWABGOYOBJIFQ-BASLNEPJSA-N 340.423 2.802 0 50 EFAA C[C@H]1CN(c2ccc(Br)cn2)C[C@]2(CCCOC2)O1 328588427 GINCWVATQVJKDS-FZMZJTMJSA-N 327.222 2.618 0 50 EFAA COC(=O)[C@@H]1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1 67714173 FMJAZGXFUNGBQV-KRWDZBQOSA-N 336.395 2.534 0 50 EFAA CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCC(=O)N4C)o1 65372135 UWTWYYNYTFQMHV-LBPRGKRZSA-N 326.352 2.671 0 50 EFAA COC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n2c1CCC2 1385016 PFQGEHCYRPLWPR-UHFFFAOYSA-N 329.352 2.683 0 50 EFAA Cc1cc(C)cc(Cn2cc(NCc3ccccc3)c(=O)[nH]c2=O)c1 35324840 HLFISNDNBPDDGX-UHFFFAOYSA-N 335.407 2.814 0 50 EFAA O=C(C[C@@H]1CCCN1c1nccn2cnnc12)c1ccc(F)cc1 253426432 OTLCHPWQYRDLOS-AWEZNQCLSA-N 325.347 2.505 0 50 EFAA CCOc1ccc(CC(=O)N2CCC(c3ccnn3C)CC2)cc1 124555542 HOMOFURNMOPKKN-UHFFFAOYSA-N 327.428 2.768 0 50 EFAA OCCn1cnc2cc(-n3ccnc3-c3ccc4c(c3)OCO4)ccc21 77288210 LDXZTNOQRQNFFE-UHFFFAOYSA-N 348.362 2.610 0 50 EFAA CCc1cnc(CCNC(=O)[C@@H](C)N2CCc3ccccc32)s1 173034912 SSTAZPACHIEXPX-CYBMUJFWSA-N 329.469 2.815 0 50 EFAA C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C=O)[nH]1 363316980 RUFKTZZZJGLLJX-OAHLLOKOSA-N 325.412 2.564 0 50 EFAA CS(=O)(=O)CC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 359515272 NBHUTBHDDLPDCA-OAHLLOKOSA-N 343.876 2.698 0 50 EFAA O=C1C[C@H](C(=O)N2CCCc3cccc(O)c32)c2ccc(F)cc2N1 155640913 AILRQIFZMHSNAU-AWEZNQCLSA-N 340.354 2.937 0 50 EFAA COCc1ncsc1C(=O)N1CCC[C@H]1CNc1cccc(C)n1 366954240 WJWUEYKQCWOITL-ZDUSSCGKSA-N 346.456 2.710 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)n1 236863882 TYHATGCTGXPTSC-LLVKDONJSA-N 339.823 2.970 0 50 EFAA CCc1c(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)cnn1-c1ccccc1 237094556 XZBSOZHTCIFPRB-HUUCEWRRSA-N 326.444 2.634 0 50 EFAA C[C@H]1C[C@@H]1c1nnc2ccc(N3CCC4(C3)Oc3ccccc3O4)nn12 333703696 OOPAEXKNMWKDFG-STQMWFEESA-N 349.394 2.626 0 50 EFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(c3cc(N)ncn3)C2)cc1C 71750991 NDKNDKOXJANASV-CQSZACIVSA-N 340.427 2.784 0 50 EFAA CCOC1CC(CN[C@H](C)c2cc(C)c(C)o2)(N2CCOCC2)C1 369502610 GRWXRCJWOYDLLW-LSJNQWAISA-N 336.476 2.817 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)CCc3cn[nH]c3)cc2)n1 72478098 JMFVQLFWSWPGTH-UHFFFAOYSA-N 337.427 2.586 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)[C@H](C)N 449594255 XPIQGECQIAYEFG-WDEREUQCSA-N 334.851 2.537 0 50 EFAA Cc1ccc2c(CC(=O)N(CCC(=O)O)C[C@H]3CCCO3)c[nH]c2c1 237869199 IPFZWVGLMJXGHM-OAHLLOKOSA-N 344.411 2.501 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CCO1 238051240 GWLZSZURCMHVSZ-ZDUSSCGKSA-N 337.441 2.652 0 50 EFAA Cc1cc(C)c(CNc2nccc(-c3cc(C(=O)O)ccn3)n2)cn1 72438238 NEXRHDVCJALBFO-UHFFFAOYSA-N 335.367 2.861 0 50 EFAA CC(=O)N1CCCN(c2cc(-c3ccccc3)nc3cc(C)nn23)CC1 72429217 HSNCLQBHFREQNB-UHFFFAOYSA-N 349.438 2.763 0 50 EFAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cncnc1-c1ccccc1 376872253 VBOQCOZVVMKOQC-MJGOQNOKSA-N 331.375 2.532 0 50 EFAA CC[C@H](NC(=O)CCC(=O)c1ccc(OC)cc1)c1ncc(C)[nH]1 214960375 JHDSIMPZPSAEMY-HNNXBMFYSA-N 329.400 2.957 0 50 EFAA CC(C)(C)OC(=O)NC1(C(=O)O)CC(COCc2ccccc2)C1 135674729 QWYUECDMYRFNNF-UHFFFAOYSA-N 335.400 2.961 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(C/C=C/c3ccccc3)C2)nn1 285569267 RWTUKSGTSMYDDV-IUYMFKLXSA-N 326.444 2.856 0 50 EFAA CC(C)C(=O)N[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2F)C1 337615239 LBRRVQFNCSBNMS-AWEZNQCLSA-N 334.435 2.867 0 50 EFAA CCO[C@H]1C[C@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 241969492 UWQORDYKBWRBKB-OALUTQOASA-N 341.455 2.936 0 50 EFAA CSc1cccc(CNC(=O)N2CCN(CC(F)(F)F)CC2)c1 426488312 SKJNEQAGAKYCHX-UHFFFAOYSA-N 347.406 2.798 0 50 EFAA O[C@@H]1CCCOC12CCN(Cc1ccc(C(F)(F)F)nc1)CC2 91587217 VTPPDJKJDJGCMI-CQSZACIVSA-N 330.350 2.606 0 50 EFAA COC(=O)c1ccc(NC(=O)NCC[C@H]2CCCN2C)c(Cl)c1 95516386 MCRNMZGHOGZNGL-GFCCVEGCSA-N 339.823 2.732 0 50 EFAA Cc1ccc(Cn2ccnc2-c2cn(C3CCNCC3)nn2)cc1C 91364575 RDUOQTNYILAEBH-UHFFFAOYSA-N 336.443 2.731 0 50 EFAA FC(F)Oc1ccccc1CN1CCN(C2CCOCC2)CC1 97713660 OBHFFIAHUOBEJY-UHFFFAOYSA-N 326.387 2.585 0 50 EFAA Cc1cc(N2CCN(Cc3cc(CN(C)C)cs3)CC2)ccn1 97711694 FZIMNKDLYLVHNS-UHFFFAOYSA-N 330.501 2.835 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)c1cc(-c2cccn2C)n[nH]1 91952104 GQSILFTZNARUEM-UHFFFAOYSA-N 339.399 2.554 0 50 EFAA CN(C)c1cccc(NC(=O)N(CCCO)Cc2cccnc2)c1 96163481 VIANKKPMBOQETF-UHFFFAOYSA-N 328.416 2.564 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H]1COc2ccccc2C1 97675327 RQNJGFLFZJJKHK-CQSZACIVSA-N 339.439 2.589 0 50 EFAA Cc1nc2cc(CC(=O)NC[C@@H]3COc4ccccc4C3)ccc2[nH]1 91974246 JIFKDEUMWIRFFV-OAHLLOKOSA-N 335.407 2.781 0 50 EFAA O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCOCC1 296799609 PHFFXDIVJUZQPD-UHFFFAOYSA-N 326.194 2.586 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@H](C)[C@H]1OCCc2sccc21 296946460 PXXUKCBHAAWYFK-MEBBXXQBSA-N 334.445 2.868 0 50 EFAA O=C(O)c1cccc(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)c1 296990918 QBDRHYDARVIVQF-NSHDSACASA-N 333.356 2.952 0 50 EFAA COCO[C@@H]1C=C([C@@]2(O)C[C@H]3C(C)=C(OC)[C@H]2CC3(C)C)OCC1 257355990 FBMDXLIXSVJDPB-XTDOFWJNSA-N 338.444 2.997 0 50 EFAA Cc1noc(CN2CC(O)=C(c3nc4ccccc4s3)C2=N)n1 253394564 FDYLIIDMMQEXRX-UHFFFAOYSA-N 327.369 2.750 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc(CN)o1 299739238 MEWNMDJVWKUBLX-CRAIPNDOSA-N 341.455 2.721 0 50 EFAA Cc1cc(C)nc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)cc2)c1 534649878 VDXXOJKPFVXRJO-AWEZNQCLSA-N 335.411 2.985 0 50 EFAA CN(C[C@H]1CCCO1)C(=O)NC1CCN(Cc2cccs2)CC1 364104793 SMQUCMPIMAIQEY-OAHLLOKOSA-N 337.489 2.533 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc3cc(F)ccc3n1)CC2 299796532 QYUOPHKIURNNEV-YTQUADARSA-N 330.403 2.878 0 50 EFAA CCn1cc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cn1 823602203 YBURLTPRILWFHW-UHFFFAOYSA-N 335.367 2.803 0 50 EFAA CC1(NS(=O)(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 1875260664 VBRFDYWUCHVOKC-UHFFFAOYSA-N 345.346 2.722 0 50 EFAA CC(C)(CC(=O)N1CCc2c(O)ncnc2C1)Cc1ccccc1 1875319186 RVBNXOCZYNUEAO-UHFFFAOYSA-N 325.412 2.726 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Oc3ccncc3)cc2)cn1 1875380871 CNQCYWMMVNBBNY-WAIKUNEKSA-N 336.395 2.871 0 50 EFAA COC(=O)C[C@](C)(NC(=O)c1cccnc1C1CC1)c1cccnc1 1875309673 HWKAVIJBHFXFJT-IBGZPJMESA-N 339.395 2.562 0 50 EFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccc(CCF)cc2)CCN1 1875301967 ZMIDEZNFWUBGPS-SFHVURJKSA-N 342.414 2.994 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1c2ccccc2nn1C 1875334501 QFDWHYMXPXCTAU-KRWDZBQOSA-N 341.436 2.848 0 50 EFAA Cc1ccc([C@H](CNC(=O)CCCN2CCCCC2=O)N(C)C)cc1 952975887 XWUGTGPPPOMGHW-SFHVURJKSA-N 345.487 2.507 0 50 EFAA Cc1nc([C@H]2C[C@@H](O)[C@@H](CNCc3cccc(C4CC4)c3)C2)n[nH]1 888076257 QBBGDKKTLROIKP-KZNAEPCWSA-N 326.444 2.635 0 50 EFAA CCc1cnc(CNC(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)s1 893310210 KKABRHKWBWOWDP-LBPRGKRZSA-N 349.460 2.561 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 894581654 JFZVBXRTLJYUOK-DTZQCDIJSA-N 338.835 2.689 0 50 EFAA CCn1cc(C(=O)Nc2c(C(=O)OC)nn(C)c2C)c2ccccc21 1776006673 YYMHWVGSEFFYEG-UHFFFAOYSA-N 340.383 2.742 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)NC[C@H]1CCCC(C)(C)O1)[C@@H]2C 898638127 YLKRQGBQBUSCPV-ZIAGYGMSSA-N 349.479 2.835 0 50 EFAA O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@@H](N2CCCC2=O)CC1 1434087299 HGZPHHFYCHNTRB-CYBMUJFWSA-N 343.402 2.924 0 50 EFAA Cc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1-n1cnnn1 270521359 RMYDKONGROFBPY-MRXNPFEDSA-N 349.394 2.727 0 50 EFAA NC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n[nH]1 676105680 ACVVLADTEBDQHL-VHSXEESVSA-N 339.182 2.558 0 50 EFAA CCCc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)co1 273560765 DFCTVIYUBPEMQO-NSHDSACASA-N 327.384 2.637 0 50 EFAA CCn1nc(C)cc1C(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 678990966 RHJYFYUNISORRB-ZDUSSCGKSA-N 339.754 2.560 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 186975680 JUIANWLXNQSCRE-UHFFFAOYSA-N 337.427 2.852 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@H](C)S1 170002592 PIVDFBFSDWBEKI-RYUDHWBXSA-N 335.473 2.807 0 50 EFAA Cn1cc([C@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C(F)(F)F)cn1 278293359 JMIRRHCPWSTPON-NSHDSACASA-N 348.369 2.623 0 50 EFAA CC[C@@H](C)CS(=O)(=O)NC(=O)[C@H]1SCCc2ccccc21 170645728 NWSRXDFMXVYYPS-RISCZKNCSA-N 327.471 2.509 0 50 EFAA CCCn1c(C(=O)N[C@@H](C)CN2CCCC2=O)cc2ccccc21 190095790 IIGGHDQOBHAFEI-AWEZNQCLSA-N 327.428 2.792 0 50 EFAA CCc1ncnc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1F 190446796 BISPCBBWGOEEIQ-HNNXBMFYSA-N 329.423 2.531 0 50 EFAA CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc(Br)cs2)C1 194113397 GWLYRCVVHRXJPS-ONGXEEELSA-N 346.294 2.965 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN2CCCC[C@@H]2C1 195085130 CEQZTAHCFHGHHC-MRXNPFEDSA-N 325.412 2.960 0 50 EFAA O=C(COC(=O)c1nnc(O)c2ccccc12)c1c[nH]c2ccccc12 745883850 QETAWWVWTUCSOT-UHFFFAOYSA-N 347.330 2.856 0 50 EFAA COc1cc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)ccc1C 657632465 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332.488 2.871 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)COCc1ccccc1 91364686 QCDSUSROYLOBQE-UHFFFAOYSA-N 337.379 2.912 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1cnc(C)n1C)CC2 426413071 YKRVSZDLOGZNDA-CEXWTWQISA-N 333.476 2.667 0 50 EFAA O=C(NCCn1cccn1)N1CCC[C@@H](COc2ccccc2F)C1 426497067 XAOYYXCPLHOZKE-OAHLLOKOSA-N 346.406 2.523 0 50 EFAA CCNc1ncc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cn1 97117518 FKSRXJIJNFOHKD-IAGOWNOFSA-N 340.427 2.776 0 50 EFAA CN(Cc1ccccc1F)C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 294160847 BGVDOQIHUHHAIC-COXVUDFISA-N 348.418 2.502 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN(C)C)CC2)C1 91780537 KQLLEIODEFWPJI-LJQANCHMSA-N 343.515 2.666 0 50 EFAA COCCn1ccnc1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 91452147 YISGBUXJRHYDPM-UHFFFAOYSA-N 346.431 2.661 0 50 EFAA Cc1ccccc1COc1cccc(NC(=O)[C@H]2COCCN2)c1 237756180 WDQWFGWBHPFLKQ-GOSISDBHSA-N 326.396 2.501 0 50 EFAA Cc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)cnc1-n1cnnc1 244734479 NGGSOICNZNANEY-MRXNPFEDSA-N 333.395 2.566 0 50 EFAA CC(C)c1noc(C2CCN(c3cc([C@H]4C[C@@H](N)C4)ncn3)CC2)n1 244708043 KMNHYPHVEGKOPJ-OKILXGFUSA-N 342.447 2.572 0 50 EFAA Cc1c(N[C@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@@H](C)C1=O 296162170 WOGONSKPFOUIAV-KBPBESRZSA-N 343.427 2.953 0 50 EFAA OC1(c2ccc(F)cc2)CCN(C[C@H]2COc3ccccc3O2)CC1 244796031 RRSKZYPNVGSASB-KRWDZBQOSA-N 343.398 2.949 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1OC(F)F 252527651 DBXMPZJTPUQYNB-XHBSWPGZSA-N 348.349 2.925 0 50 EFAA Cc1ccc(-c2nc(CN3CCC[C@@H](c4nc(C)n[nH]4)C3)no2)cc1 252510267 ZFUXLOGTMMYMNZ-OAHLLOKOSA-N 338.415 2.851 0 50 EFAA COCCc1noc(-c2cncnc2N[C@@H]2CCc3ccccc32)n1 263619195 XKXBXHVIISSIFG-OAHLLOKOSA-N 337.383 2.815 0 50 EFAA Cc1ccc(CNC(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1 363457393 SEQKEFBXNCPQJF-UHFFFAOYSA-N 341.411 2.646 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1[nH]c3ccccc3c1C)CC2 299771142 SYLJCJNLZUPVOI-IYJAJMOOSA-N 328.412 2.621 0 50 EFAA Cc1ccccc1-c1cccc(NC(=O)NC[C@@]2(O)CCNC2)c1 299785025 PVOQGIBEISDMRE-LJQANCHMSA-N 325.412 2.508 0 50 EFAA O=C(Nc1ccc(Cl)nc1)NC1(CN2CCOCC2)CCCC1 299786621 WWYMTEJOOHZISX-UHFFFAOYSA-N 338.839 2.502 0 50 EFAA Cc1nonc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 299761606 WUMQPESHPCYSLN-AWEZNQCLSA-N 334.807 2.598 0 50 EFAA O=C(O)c1cc(Br)c(I)cc1F 575438577 ROZPTLCRLSXZDA-UHFFFAOYSA-N 344.905 2.891 0 50 EFAA O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2cncs2)cc1 828057209 QJDNVMNUUHIHBQ-UHFFFAOYSA-N 344.440 2.820 0 50 EFAA CCn1c(CNCCCF)nc(Br)c1Br 864094123 GHYPMRNMHMFZCB-UHFFFAOYSA-N 343.038 2.877 0 50 EFAA O=C(CCN1CCCCCC1=O)NCCCn1ccc2ccccc21 670460741 ROPTYPCRQICEII-UHFFFAOYSA-N 341.455 2.940 0 50 EFAA COc1c(CNc2ncc(F)cc2Br)c(C)nn1C 871001875 IRWGLILZSMCZDO-UHFFFAOYSA-N 329.173 2.646 0 50 EFAA COc1cccc2c1C[C@@H](NC(=O)c1ccc(C)c(C(=O)O)c1)C2 1875270784 ACSGMYIXBDPCLK-AWEZNQCLSA-N 325.364 2.599 0 50 EFAA COC(=O)[C@@H](CNC(=O)[C@H](C)c1ccc(F)cc1)Oc1ccccc1 1875274391 CYGSKLAPSZJRPW-CXAGYDPISA-N 345.370 2.666 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)on1 1875343114 QZSZOQWMHIBSGM-UWVGGRQHSA-N 348.321 2.575 0 50 EFAA CC(C)(C(=O)N[C@@H]1Cc2cccnc2NC1=O)c1ccccc1Cl 952994311 QZWGFTIIDVWOJI-CQSZACIVSA-N 343.814 2.692 0 50 EFAA Cc1ccnc(C2CCN(C(=O)Nc3cnn4ccccc34)CC2)n1 880122414 VIGYLUMRUCHNOD-UHFFFAOYSA-N 336.399 2.844 0 50 EFAA CC(C)c1cc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)nc2ncnn12 952982717 YKAHCUKVGDWJLI-LLVKDONJSA-N 337.383 2.823 0 50 EFAA CC(C)(C)OC(=O)N1CCn2c(CCc3ccccc3)nnc2C1 882619266 YBIKJVBCWWMMNH-UHFFFAOYSA-N 328.416 2.814 0 50 EFAA CCO[C@@]1(c2nnc(COc3cc(F)ccc3F)o2)CCOC1 886082251 PTPGAVSHJQQNKY-HNNXBMFYSA-N 326.299 2.579 0 50 EFAA Cc1ccccc1CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 886077853 JZTLAXBNGAPLAK-IAGOWNOFSA-N 327.428 2.887 0 50 EFAA O=C1C[C@]2(NC(=O)c3cc4cc(F)ccc4s3)CCCC[C@@H]2N1 891286022 RRZZXGRAGNFJGE-WMLDXEAASA-N 332.400 2.972 0 50 EFAA O=C(CCc1cccs1)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565528691 IUAZSKPIGISMEM-IRXDYDNUSA-N 346.452 2.566 0 50 EFAA CCc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)o1 1565515377 KOEPKQFPXCLAAQ-SJORKVTESA-N 329.396 2.921 0 50 EFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccn(Cc2ccccc2)n1 1320731122 LJKHEQWQVDFLIH-GOSISDBHSA-N 347.422 2.837 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 271508538 ILYBBTXLYDGJHY-OLZOCXBDSA-N 333.407 2.964 0 50 EFAA CC1(C)C[C@@H](Nc2ncnc3ccc(S(C)(=O)=O)cc23)C(C)(C)O1 302854079 QZEPXPJFICZVPS-CQSZACIVSA-N 349.456 2.791 0 50 EFAA CO[C@H](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275973199 NUFNIICHAQLLLN-SJLPKXTDSA-N 333.476 2.710 0 50 EFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CCC([C@@H]2CCCO2)CC1 275992393 HSTSHOYVCBSHDI-IBGZPJMESA-N 339.439 2.963 0 50 EFAA CC1(C)[C@@H]2CN(C(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]21 170085683 WXYHRGJDWQATPC-MGPQQGTHSA-N 327.346 2.723 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 187491855 MPFUIRPLIRAZBB-GJZGRUSLSA-N 343.431 2.703 0 50 EFAA Cc1cc(NCCN2C(=O)Cc3ccccc32)nc(-c2ccncc2)n1 170641146 KYLZMRWHSVALNX-UHFFFAOYSA-N 345.406 2.848 0 50 EFAA O=C(O)[C@H](N[C@@H]1CCOc2c(Br)cccc21)C1CC1 635014975 AZAHYHXAAXUMDK-VXGBXAGGSA-N 326.190 2.726 0 50 EFAA O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(c2ncc(F)cn2)C1 280117045 AHIINGOMOWKDTM-MFKMUULPSA-N 327.281 2.947 0 50 EFAA O=C(CNCC(F)(F)F)Nc1ccc2c(c1)nc1n2CCCCC1 171960818 KKHVBWJZBYZUNA-UHFFFAOYSA-N 340.349 2.853 0 50 EFAA C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc3ncnc(O)c3n2)C1 641301388 FITPFMVRYBYXGG-HZSPNIEDSA-N 327.432 2.572 0 50 EFAA CC(C)(C)n1cc(CNC2(c3cccc(F)c3)CCOCC2)nn1 191239394 IKVFSZRANPAXGB-UHFFFAOYSA-N 332.423 2.968 0 50 EFAA Cc1cc(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)[nH]n1 192239848 ISJPCQZUMMAYKT-UHFFFAOYSA-N 341.415 2.917 0 50 EFAA O=C(O)C1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCCC1 649246468 DWVKIFHJAFUQCQ-UHFFFAOYSA-N 331.290 2.846 0 50 EFAA O=C([C@@H]1CCO[C@H]1c1ccncc1)N1CC[C@@H](Cc2ccncc2)C1 649916467 ARVUAXBSUKMYFB-UHOSZYNNSA-N 337.423 2.645 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c(F)c1 656244900 UXOXBKWCWKQNDZ-HNNXBMFYSA-N 343.354 2.608 0 50 EFAA CN(C)CCc1nnc(NC(=O)C[C@H]2CCc3ccccc32)s1 1506428409 OWWHSKGZMDSSAS-CYBMUJFWSA-N 330.457 2.701 0 50 EFAA CCC(CC)n1ncc(C)c1NC(=O)C[C@H]1C[C@H](C)NC(=S)N1 208486971 HRELNBNVDPXUIO-NWDGAFQWSA-N 337.493 2.506 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)C(C)(C)Oc2cccc(C)c2)C[C@H]1O 1704305541 KUDYBPYEHIJIPY-YLJYHZDGSA-N 349.471 2.524 0 50 EFAA CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110693432 DAXUBVIOLMBIKK-IXDOHACOSA-N 331.460 2.516 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1C 1775981108 OTIYAFANWGCLFX-LJQANCHMSA-N 325.412 2.847 0 50 EFAA CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cnccn1 5909275 NXBBRUBVKGDASZ-UHFFFAOYSA-N 341.396 2.746 0 50 EFAA O=C(Cn1ccnc1)NCc1cccnc1Oc1ccc(F)c(F)c1 12204735 GMQFTLWJIRQMKQ-UHFFFAOYSA-N 344.321 2.665 0 50 EFAA Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12242343 PGSAUEXQMHKXKJ-GFCCVEGCSA-N 339.848 2.940 0 50 EFAA C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 12414235 WERHEAMZFYEFSA-AYOQOUSVSA-N 336.451 2.514 0 50 EFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)C(C)(C)O)C2)cc1 12457909 OFKFQFDAABAKKC-SFHVURJKSA-N 332.488 2.737 0 50 EFAA Cc1cc(C)c(NC(=O)CCN2C(=O)c3ccncc3C2=O)c(C)c1 13331103 YXEYHGAXTVXZKC-UHFFFAOYSA-N 337.379 2.632 0 50 EFAA CC[C@@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 14291550 XPBCDZHPAGKEBB-SNVBAGLBSA-N 328.397 2.917 0 50 EFAA Clc1cccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 14883845 ALBPHRRMNWWXGK-HNNXBMFYSA-N 332.835 2.841 0 50 EFAA Cc1ccc(F)c(CCNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1 1857528595 PILFQIDHHQACSC-NEPJUHHUSA-N 331.391 2.852 0 50 EFAA CCCCc1nc(CN2CCN3C(=O)OC[C@@]3(CC)C2)c(Cl)[nH]1 1857676057 NUYMYSUFNOEXPI-MRXNPFEDSA-N 340.855 2.822 0 50 EFAA O=C(c1cccc2c1NCCC2)N1CCc2[nH]nc(C3CC3)c2CC1 1857696886 POYPNFCUHFETRW-UHFFFAOYSA-N 336.439 2.886 0 50 EFAA CCCC[C@@H]1CN(C(=O)Cc2c(C)nc(C)nc2O)C[C@H](C(C)C)O1 1875251623 ITXQUGGWMVXUJZ-NVXWUHKLSA-N 349.475 2.784 0 50 EFAA CCn1cc(C(=O)NCc2nc3ccccc3o2)c(C(F)(F)F)n1 425312408 JWXFWIYPMPXDBF-UHFFFAOYSA-N 338.289 2.993 0 50 EFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN[C@H](c2ccncc2)C1 337654598 NAECGMLOJBMYAV-DYVFJYSZSA-N 345.830 2.675 0 50 EFAA CCCn1ccnc1CN1C[C@H](c2ccccc2OC)[C@@H](C(=O)O)C1 247972886 DXQZNKQBSVUICK-CVEARBPZSA-N 343.427 2.602 0 50 EFAA C[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1NS(C)(=O)=O 353821607 OIKFAPPXXHBPHB-WBMJQRKESA-N 344.436 2.575 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cnc(C2OCCO2)s1 252485593 GZOQUGCCBNELLZ-NSHDSACASA-N 348.424 2.645 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](c2nc[nH]n2)C1 378056536 NLUQCGOKIDBCDN-LBPRGKRZSA-N 334.807 2.552 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)[C@@H]1CCOC1 267002388 CWYGSGNFVIKRDL-LESCRADOSA-N 334.435 2.721 0 50 EFAA COc1cc(-c2noc(C[C@@H]3CC(=O)Nc4ccccc43)n2)sn1 904098996 ADIGYCVTUVCOFF-VIFPVBQESA-N 342.380 2.870 0 50 EFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907948243 KSHNTYWTEODDEZ-QCBRBAQYSA-N 331.290 2.836 0 50 EFAA CC1(c2ccccc2C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 932278131 ACQJTMGVBUZFRZ-UHFFFAOYSA-N 333.395 2.848 0 50 EFAA CN(Cc1cc[nH]n1)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1262608482 ISMOZYGJPRPFQG-UHFFFAOYSA-N 346.341 2.540 0 50 EFAA CN(C(=O)c1cc(C(F)(F)F)n(C)n1)c1nc2ccccc2n1C 1121180645 DUNWEKUBJTTWHX-UHFFFAOYSA-N 337.305 2.602 0 50 EFAA CCOC(=O)CNC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 2320107 OAGRRASZQUUOLW-GFCCVEGCSA-N 334.803 2.921 0 50 EFAA CN(C(=O)[C@H]1CCCn2cnnc21)c1cccc(Br)c1 2325779465 GPKCSRJBQHOINU-LBPRGKRZSA-N 335.205 2.581 0 50 EFAA Cn1ncc(C(=O)NCc2ccc3c(n2)CCC3)c1Cc1ccccc1 2325782656 RDTPJHUYWQKART-UHFFFAOYSA-N 346.434 2.825 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1 300298 MEPINXJXDBFTEO-AWEZNQCLSA-N 330.428 2.887 0 50 EFAA Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 561773 JYTWYGWRBBDUAS-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 2886182 XXZLTTYSOAJSKO-RYUDHWBXSA-N 347.864 2.845 0 50 EFAA COc1cccc(OCCOCCOc2ccc(C=O)cc2OC)c1 2987076 CCEFKHCFAQTHOH-UHFFFAOYSA-N 346.379 2.991 0 50 EFAA CCC(=O)Oc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 4840965 IUTMHJKCVUSRQJ-UHFFFAOYSA-N 327.336 2.661 0 50 EFAA Cc1csc2c(N(CCN(C)C)Cc3cccnc3)ncnc12 225456828 PMLQGQMSYVDMFS-UHFFFAOYSA-N 327.457 2.963 0 50 EFAA Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)CCN1CCCCO1 55385243 FWMVQVGMJXDFOX-LJQANCHMSA-N 346.471 2.920 0 50 EFAA CCOC1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 225515126 SVNQPWPGQZYAJD-UHFFFAOYSA-N 347.846 2.950 0 50 EFAA Cc1csc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)n1 51448927 SABZJLJXFPFLCI-CQSZACIVSA-N 330.457 2.601 0 50 EFAA COc1cc(OC)c(OC)cc1CN(C(=O)CSC)C(C)C 55371474 VHYWWQOIYAYQHG-UHFFFAOYSA-N 327.446 2.812 0 50 EFAA Cc1cccnc1N1CCN(Cc2cccc(Cn3cccn3)c2)CC1 67446568 BGCBVZUVMUNDKK-UHFFFAOYSA-N 347.466 2.957 0 50 EFAA Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 20513317 RNNOKIKKQIIXCX-IBGZPJMESA-N 326.440 2.557 0 50 EFAA O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)C1=CCCC1 348635353 RQUVMRCOIFLQKU-UHFFFAOYSA-N 326.440 2.837 0 50 EFAA CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2csnn2)cc1 119126682 ADMRDZHFXLXFQG-HNNXBMFYSA-N 330.413 2.545 0 50 EFAA C[C@@H]1COc2ccccc2N1C(=O)Cn1cnc(-c2ccccc2)n1 153426030 FJTTWULMWMDOBI-CQSZACIVSA-N 334.379 2.759 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252517725 PYSMLNPJXSHQGD-DZRGKWQISA-N 328.431 2.872 0 50 EFAA O=C(N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)[C@H]1C[C@H]1c1cccc(F)c1 252517798 RLQUVGNSAQKEQL-QCSYZSNVSA-N 344.430 2.883 0 50 EFAA Cc1cccnc1C[C@H](C)NC(=O)CCc1[nH]nc2c1CCCC2 67833632 KCLNYRLHALOGDO-AWEZNQCLSA-N 326.444 2.672 0 50 EFAA Cc1ccc(F)c(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 328639866 PSSHFEJPGDSFID-ROUUACIJSA-N 346.425 2.969 0 50 EFAA Cc1ncsc1CN(Cc1ccc2c[nH]nc2c1)C[C@H]1CCNC1 328629820 IRJGIIXBBNASGF-HNNXBMFYSA-N 341.484 2.940 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@H]1[C@H]1CCCO1 253420887 FFBQUCHQTLXGMO-LSDHHAIUSA-N 333.436 2.959 0 50 EFAA CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2CCn3cncc3C2)c1 151526197 MASXMMINFUZUCC-AWEZNQCLSA-N 340.427 2.613 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)Cc2noc3ccccc23)n1 152236851 UNIJOPMIKMGCOF-UHFFFAOYSA-N 348.366 2.602 0 50 EFAA Cc1occc1CN(C)C(=O)NCc1ccc(-n2ccnc2)nc1 363374184 OPRWJGQEXVUAOO-UHFFFAOYSA-N 325.372 2.510 0 50 EFAA C[C@H]1CCCN(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1 153105942 OOXYUJBTYXBYKI-AWEZNQCLSA-N 325.412 2.859 0 50 EFAA CNC(=O)c1cccnc1NC1CCN(CCc2ccccc2)CC1 361160859 CQEPJFBJWUYEMT-UHFFFAOYSA-N 338.455 2.560 0 50 EFAA Cc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 377520332 SOPRLBWIGAKNLA-ZDUSSCGKSA-N 336.399 2.516 0 50 EFAA Cc1c(NCc2nnc3n2CCOC3)cccc1OCC(F)(F)F 366672973 LYEQERWITRWABM-UHFFFAOYSA-N 342.321 2.670 0 50 EFAA C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)N[C@H]1CCCC[C@H]1C 241316775 LUVHJKKLDBCTGZ-KEYYUXOJSA-N 332.444 2.993 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)c3ccc(OC)o3)C2)CCC1=O 77287354 YCEAVSNIWQZYBU-LJQANCHMSA-N 348.443 2.933 0 50 EFAA CC(=O)N[C@H](C(=O)N1CC(Cc2ccccc2F)C1)C1CCCC1 370311032 UOGCRBUXMIYPEZ-SFHVURJKSA-N 332.419 2.522 0 50 EFAA CNC(=O)c1ccc(CNc2ccc3c(c2)CCCN3C(C)=O)cc1 128085087 PWKPKUXEQURQNO-UHFFFAOYSA-N 337.423 2.957 0 50 EFAA CO[C@H]1COCC[C@H]1CNC(=O)N1CCC=C(c2ccccc2)C1 455322498 RVQQIPAOWGLDKM-WMZOPIPTSA-N 330.428 2.537 0 50 EFAA 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Cc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 2862218 FCTBTQKJKLLYMO-UHFFFAOYSA-N 340.489 2.558 0 50 EFAA O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1 4487365 WVRXIHWLMZIQEJ-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccncc1 4749682 WKMJFDOMIIUGJC-NSHDSACASA-N 335.201 2.928 0 50 EFAA O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCO 101127794 IYVPCEMKZSCRNM-JVSBHGNQSA-N 347.414 2.717 0 50 EFAA Cc1ccccc1Cc1nnc(NC(=O)CCN2CCCCO2)s1 55153708 SRFCYLWFQFXIEP-UHFFFAOYSA-N 346.456 2.793 0 50 EFAA CC(C)NC(=O)N1CCC[C@@H](Cn2cc(Cc3ccccc3)nn2)C1 23368659 JPNIXGNFYBSXTH-QGZVFWFLSA-N 341.459 2.699 0 50 EFAA COc1ccc(F)cc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 134785017 DUADTXCVWFPPIL-LBPRGKRZSA-N 349.793 2.891 0 50 EFAA C[C@H](c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)N2CCCC2)cc1)N(C)C 102160997 KGTFFGSMGSOARF-XCLNPWKQSA-N 341.499 2.609 0 50 EFAA COc1cc(NC(=O)N2CC[C@H](CN(C)C)C2)c(OC)cc1Cl 118794825 PBCULWGFBGHHBI-LLVKDONJSA-N 341.839 2.773 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)NCC2([S@@](C)=O)CCC2)cs1 281519164 KRCIDIVOVYCRRZ-WHEQGISXSA-N 341.502 2.599 0 50 EFAA CC(C)N(Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCC(=O)N1 65404307 YGKDCZPQBYDOGT-CQSZACIVSA-N 348.830 2.935 0 50 EFAA COc1ccc2nc(CCN(C)C(=O)c3cc(C(C)C)on3)[nH]c2c1 67982644 MEGVZQXVUKPXNU-UHFFFAOYSA-N 342.399 2.998 0 50 EFAA Cc1ccc2c(c1)c(-c1nc(CC3CCN(C)CC3)no1)nn2C 67856068 HQXIKSWIZWDAHI-UHFFFAOYSA-N 325.416 2.816 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348241538 JJAFUAWDPPPGPD-APPDUMDISA-N 343.333 2.789 0 50 EFAA C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1ccncn1 63871747 HVAFRSVDLPACGS-JTQLQIEISA-N 326.385 2.878 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CC[C@](O)(c2ccccc2)C1 65529251 FUGZLBUYDZVLEV-OAQYLSRUSA-N 347.418 2.665 0 50 EFAA Cc1c(-c2nc(-c3ccc(Cl)o3)no2)cnn1-c1ccc(O)nn1 350914135 HBYDQOFEUWCLOC-UHFFFAOYSA-N 344.718 2.640 0 50 EFAA O=C(c1ccco1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12448218 VOSOOOZZVWUZSG-CQSZACIVSA-N 328.368 2.768 0 50 EFAA COc1cccc(C2(C(=O)NCCn3cnc4ccccc43)CC2)c1 352090858 DQZJDHCMLCSSMJ-UHFFFAOYSA-N 335.407 2.893 0 50 EFAA CCn1cc(CN(CCO)C(=O)c2cc(C)ccc2C2CC2)cn1 424812827 ONKDTUZVQYPKOX-UHFFFAOYSA-N 327.428 2.724 0 50 EFAA CC(C)[C@H](NC(=O)N1C[C@H](C)S[C@H](C)C1)c1nnc2ccccn12 229835683 TYTURKMOOXAYFR-GUTXKFCHSA-N 347.488 2.962 0 50 EFAA CC(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)cs1 11937537 HGUUQWRGMMGYFO-INIZCTEOSA-N 343.452 2.740 0 50 EFAA CNC(=O)NC1CCN(C(=O)c2cc3cc(C)ccc3s2)CC1 332266808 ULIYFVOCZJAZEP-UHFFFAOYSA-N 331.441 2.743 0 50 EFAA CCOC(=O)[C@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 900659 IGUYEXXAGBDLLX-CYBMUJFWSA-N 332.139 2.798 0 50 EFAA biogenic,in-vitro C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)O1 329853403 VKSDOCVRGOBKRX-NJAFHUGGSA-N 345.439 2.835 0 50 EFAA COc1cnc2ccccc2c1C(=O)NC1CCN(C(C)C)CC1 282581507 BHTSDTLQZRVNGH-UHFFFAOYSA-N 327.428 2.846 0 50 EFAA Nc1ncnc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1Cl 253418081 JKSOKASOTXWLDR-OLZOCXBDSA-N 336.798 2.944 0 50 EFAA O=S(=O)(NCc1ccccc1)Nc1cccc(-c2ccn[nH]2)c1 71575870 FSPAMHWSUJDPOL-UHFFFAOYSA-N 328.397 2.523 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cnns1 253426140 IWJPBDYFQTZFPQ-OAHLLOKOSA-N 329.381 2.546 0 50 EFAA O=c1cc(CN2CCCN(C3CCCC3)CC2)[nH]c2ccccc12 215018531 GJMCGUIRESMYGY-UHFFFAOYSA-N 325.456 2.978 0 50 EFAA CC1=C(C)CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 332697124 VIBGLJCTWZHUML-HNNXBMFYSA-N 349.381 2.822 0 50 EFAA CC(C)(C)c1nc(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cs1 363631932 UVIKFMZHSBWZRH-CQSZACIVSA-N 348.472 2.997 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 283357211 YGZYVIPKGDWPBB-LLVKDONJSA-N 338.864 2.962 0 50 EFAA C[C@H](C(=O)N(CC(=O)O)C1CCOCC1)c1cc2ccccc2o1 237400850 FQPDLONTTXXYLO-LBPRGKRZSA-N 331.368 2.629 0 50 EFAA CN1CCc2n[nH]c(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c2C1 77460076 LXQYYBMCEKWJTL-QGZVFWFLSA-N 342.418 2.904 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 238017960 RFLMBOUXBLMIHI-GFCCVEGCSA-N 329.352 2.510 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCC(Oc2ccc(Cl)cc2)CC1 72469015 JTNAZAFQBYGCIR-UHFFFAOYSA-N 332.787 2.712 0 50 EFAA COCc1c(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)noc1C 71775933 BGHLTEPJVXBXPZ-OAHLLOKOSA-N 342.395 2.865 0 50 EFAA CCn1nc(C)c(Cn2ccnc2-c2cnc(N(C)C)s2)c1C 71422468 YTWXGMHPGLZORP-UHFFFAOYSA-N 330.461 2.954 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)N1CCNC(=O)c3ccccc31)CC2 241124181 JGDAYWSATBWCJA-OAHLLOKOSA-N 336.391 2.502 0 50 EFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1)c1ccoc1 241124384 JHVSQFLJPLBTHI-LBPRGKRZSA-N 336.273 2.936 0 50 EFAA COC(=O)c1cccc2[nH]c(NC(=O)CCCC3CCOCC3)nc12 241277618 LHQPKZPMXLCQMT-UHFFFAOYSA-N 345.399 2.885 0 50 EFAA CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)O1 246022147 KIBSQEPDKIOTCF-ZVZYQTTQSA-N 344.455 2.658 0 50 EFAA Cc1ccc2[nH]c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)cc2c1 220237839 CGBYKCMCJGKRBC-MSOLQXFVSA-N 328.412 2.790 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2ncn(C)n2)ccc1Br 290892150 NBWJKBQJEFYBCH-ZDUSSCGKSA-N 349.232 2.863 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cn3)cc2)C1 426518667 DNELVBGCXMZRRW-AWEZNQCLSA-N 343.814 2.740 0 50 EFAA Cc1nc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cs1 220575144 FISALXVPAFFEAG-KVULBXGLSA-N 344.436 2.628 0 50 EFAA NC[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CCCCC1 237920735 HHJUGACLAUWVKG-MOPGFXCFSA-N 346.471 2.882 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cc(=O)[nH]c3ccccc23)c1 91793387 KNNQCXFHVQVLGX-AWEZNQCLSA-N 335.407 2.935 0 50 EFAA COc1ccc([C@H]2CN(C(=O)CCc3ccsc3)C[C@@H]2N)cc1 91662996 IOOUVRQTMZHITN-SJORKVTESA-N 330.453 2.643 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)Nc3ccc4scnc4c3)CC2)O1 95503575 YLXNYLNGSZCHFH-MRXNPFEDSA-N 346.412 2.793 0 50 EFAA CC(=O)N(C)c1ccccc1NC(=O)CCc1ccc(C(=O)O)cc1 237110747 RJAHJCLJFQIQII-UHFFFAOYSA-N 340.379 2.939 0 50 EFAA CCCNC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 97076752 OWGLVYXIOXMSCT-MRXNPFEDSA-N 329.444 2.587 0 50 EFAA COc1cc(F)c(-c2nc(-c3ccco3)nn2CC(=O)O)c(F)c1 97784968 BEWLITVZPNMSPI-UHFFFAOYSA-N 335.266 2.577 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(O)c2sccc2n1 294284987 ULCZFJILAZDTTD-WCQGTBRESA-N 333.413 2.615 0 50 EFAA CN(C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O)C1CCCCC1 95508640 ZUKYCONUSFEEBV-KRWDZBQOSA-N 328.456 2.869 0 50 EFAA CC(=O)c1cnc(NCc2csc(-c3ncccn3)n2)nc1C 95391012 HNSAUZWYZRFRJM-UHFFFAOYSA-N 326.385 2.513 0 50 EFAA CC(C)c1ncc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cn1 97636678 LLUOLVXDNWXESE-UHFFFAOYSA-N 343.402 2.863 0 50 EFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239284760 BZUCJYMKUDKCIT-BSXFFOKHSA-N 347.798 2.580 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1nc(C)cc1C 244899604 ZMSGPARVSIGOKN-SFHVURJKSA-N 344.459 2.858 0 50 EFAA C[C@H]1CN(C(=O)NCc2sccc2Br)[C@H](C)CO1 182525835 OORBRYSVRCFCDS-BDAKNGLRSA-N 333.251 2.829 0 50 EFAA CNC(=O)C1(C(=O)NCc2c(OC(C)C)ccc3ccccc23)CC1 183968831 FHDWMJBJYOXMLJ-UHFFFAOYSA-N 340.423 2.769 0 50 EFAA Cc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)nc1 184294988 VDQCJXGPKZSLHC-UHFFFAOYSA-N 325.416 2.823 0 50 EFAA O=C(NCCc1ccc(F)cc1Cl)[C@@H]1CNC[C@H]1C(F)(F)F 299744976 QKILQLSEYSQNBE-GHMZBOCLSA-N 338.732 2.536 0 50 EFAA O=C(Cn1cnc2ccccc21)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252527680 DDHHWYWZOVJPSC-JCGVRSQUSA-N 341.436 2.726 0 50 EFAA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 253413150 TYFZVQBDCSHUEP-CXAGYDPISA-N 327.428 2.887 0 50 EFAA Cc1nc(CCNC(=O)c2c(C)cc(C)n(CC3CC3)c2=O)cs1 253397563 BMVBCGHIRXYMAS-UHFFFAOYSA-N 345.468 2.613 0 50 EFAA Cc1cc(NC(=O)c2cccc(I)c2)no1 455651 DLDVYLXJCOJYMQ-UHFFFAOYSA-N 328.109 2.840 0 50 EFAA CC(C)CNC(=O)c1cn(C2CCN(CC3CCCCC3)CC2)nn1 299756849 HTQTYURBOCXNCC-UHFFFAOYSA-N 347.507 2.881 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cccc(-c3ncccn3)c2)n1 299764574 AYJURJYEBNWNCK-AWEZNQCLSA-N 335.411 2.775 0 50 EFAA O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)N[C@@H]1CCC[C@H]1Cc1ccccc1 1875299359 ILPBSERCMUIUEP-NAHJCDBISA-N 328.412 2.560 0 50 EFAA O=C(Nc1ncc2c(n1)CCCCC2)N1CCC(N2CCCC2)CC1 1875296548 CROBDURNQOCEIA-UHFFFAOYSA-N 343.475 2.838 0 50 EFAA CCc1nc(CN2CCc3nnc(-c4ccc(F)cc4)cc3C2)n[nH]1 952895581 XEEFTXBGXZFTQI-UHFFFAOYSA-N 338.390 2.522 0 50 EFAA Cc1cc(NC(=O)N2CC[C@@H](C(=O)O)C2)nn1-c1ccc(Cl)cc1 1775996588 VSOGGNPTHAJBGL-LLVKDONJSA-N 348.790 2.773 0 50 EFAA CC(C)c1nc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)co1 1565510201 ADCPJGDZLQBXEK-CVEARBPZSA-N 344.411 2.877 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccncc1Br 270321938 HJMOXZKOZMDRJI-GFCCVEGCSA-N 340.221 2.574 0 50 EFAA COc1ccc2c(c1)OC[C@H](NC(=O)Nc1ccnn1C(C)(C)C)C2 276771267 HWPNXVWQRWBUAO-CYBMUJFWSA-N 344.415 2.772 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 280643361 COWCEXKOWLUJBP-CDEUHXGRSA-N 347.436 2.603 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2CSc3ccccc32)C1 190060520 FJYZNUOQDOBNIO-MRVWCRGKSA-N 345.424 2.556 0 50 EFAA COc1ccc(-c2ccnc(N3CCC[C@@H]([C@@H]4CCNC4)C3)n2)cc1 643048326 QNCDGDZYJVCWPG-IAGOWNOFSA-N 338.455 2.978 0 50 EFAA COc1cc(C)c(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)c(C)n1 657722167 ZKLUSNOYIXFHPP-HNAYVOBHSA-N 344.459 2.698 0 50 EFAA O=C1CC[C@@H](N2CCC(Oc3ccncc3)CC2)CCN1CC1CC1 1506407101 MKWJWVRVYHQKKF-QGZVFWFLSA-N 343.471 2.716 0 50 EFAA Cn1c(NCc2n[nH]c3c2CCCCC3)nc2cc(C(=O)O)ccc21 1506430269 AHCOUGHWZOLWDW-UHFFFAOYSA-N 339.399 2.876 0 50 EFAA CN(Cc1cccc2cccnc12)c1cc(N2CCC(O)CC2)ncn1 1529167465 KHBCLCMDHOZRGS-UHFFFAOYSA-N 349.438 2.622 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 1529126316 ATDZJUHEMGKCDR-ZDUSSCGKSA-N 338.367 2.820 0 50 EFAA O=C(CCc1cccc(F)c1)N[C@H]1COC[C@@H]1Cc1ccncc1 1615734199 BZLQBPQEINVPEH-WMZOPIPTSA-N 328.387 2.527 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2cc(OC(F)(F)F)ccc2O)cn1 1772710408 QYYXWGHVMWMSPF-UHFFFAOYSA-N 348.302 2.724 0 50 EFAA COc1cccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c1OC 1775977773 JCVRJZBAMSLHRM-IBGZPJMESA-N 341.411 2.547 0 50 EFAA Clc1cnn(CCN2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)c1 1772705692 ZFRHHNDDCRGDED-IEBWSBKVSA-N 344.890 2.691 0 50 EFAA COc1ccc(Cn2cc(C(=O)NCCC3=CCCCC3)nn2)cc1 12432701 AWUUCUNKTYNAMP-UHFFFAOYSA-N 340.427 2.955 0 50 EFAA CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2ccsc2)CC3)CC1 14989523 OKFIXYPPJFKPEC-KRWDZBQOSA-N 347.528 2.514 0 50 EFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 1857671571 IJULFHJAKCCFBI-CQSZACIVSA-N 339.374 2.535 0 50 EFAA C[C@@H]1CN2C[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C[C@H]2CO1 1857718763 RWBDTOQWPJSRJF-SWHYSGLUSA-N 343.349 2.689 0 50 EFAA CS(=O)(=O)c1cccnc1C(=O)N1CCC[C@H](c2ccccc2)C1 413814585 GCBMORPBHKKSAV-HNNXBMFYSA-N 344.436 2.505 0 50 EFAA CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)ccc2Cl)C1 225473908 SOHZFWHCLOFZFB-LBPRGKRZSA-N 338.835 2.670 0 50 EFAA CC(C)N1CC[C@@H](NC(=O)c2cnc(-c3ccccc3F)s2)C1=O 114656281 MBMSBNDSCKLLKY-CYBMUJFWSA-N 347.415 2.688 0 50 EFAA C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(Cc2nnn[nH]2)cc1 120754457 WGSUCMANZHFPMU-CYBMUJFWSA-N 343.431 2.857 0 50 EFAA C[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 328627076 FUEXNSVTXFVBCC-PVAVHDDUSA-N 332.423 2.593 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccncc2Cl)c1 337513873 OBKHBTFDRNTYAH-WBMJQRKESA-N 332.787 2.692 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCOc1cccc(Cl)c1 345788549 DCDPMUJKSJYHLO-IXDOHACOSA-N 325.836 2.581 0 50 EFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)N[C@@H]2C=CCCC2)C1 249400423 BKNZVMNQEGKFGT-QZTJIDSGSA-N 328.460 2.654 0 50 EFAA Cc1noc(Cc2ccc(NS(=O)(=O)c3cc(C)oc3C)cc2)n1 901957538 UTLASVRLXLXPCP-UHFFFAOYSA-N 347.396 2.979 0 50 EFAA Cc1cc(Cl)cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704297955 BAIDIIOLMJPZBN-SJLPKXTDSA-N 336.863 2.567 0 50 EFAA C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)c1nc(-c2ccccc2)no1 827483847 MQOSTGLPKRPCIY-JTQLQIEISA-N 345.790 2.657 0 50 EFAA Nc1ccc2c(NCCc3coc(-c4ccccc4)n3)ncnc2n1 1253755397 OOHIVDKOTHOPQN-UHFFFAOYSA-N 332.367 2.917 0 50 EFAA Cc1ccn2cc(C(=O)N(C)C3CCN(c4ccncc4)CC3)nc2c1 2325708707 LQTUBQJYUURQIF-UHFFFAOYSA-N 349.438 2.779 0 50 EFAA CC[C@H](CC(=O)NS(=O)(=O)c1nc2ccccc2s1)C1CC1 2325773493 ILLUMLXMYAJGHX-SNVBAGLBSA-N 338.454 2.928 0 50 EFAA O=C(N1CCOCC1)N1CCN(c2cccc(Cl)c2Cl)CC1 618699 RTNARXHSDOUEIY-UHFFFAOYSA-N 344.242 2.568 0 50 EFAA Cc1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 4740687 DMGBLBWTUKOXFU-UHFFFAOYSA-N 342.347 2.571 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1S(N)(=O)=O 118552348 LQGPBRSNRMEBAG-CYBMUJFWSA-N 349.412 2.604 0 50 EFAA CN1C(=O)N(c2ccccn2)C(=O)[C@H]1c1cccc(Br)c1 225559532 UGOQEEYHITZWKZ-CYBMUJFWSA-N 346.184 2.984 0 50 EFAA CCSc1nc(CC(=O)N(C)Cc2nc(C3CC3)no2)cs1 55401725 CQYNFGGXMPXOMD-UHFFFAOYSA-N 338.458 2.717 0 50 EFAA C[C@H](CN1CCc2ccccc2C1)NCc1nc(-c2cccnc2)no1 65461542 WWOQXUJQAHQUCR-OAHLLOKOSA-N 349.438 2.668 0 50 EFAA O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1c1ccc2c(c1)OCO2 67935327 XDBWKEBWUDDFKQ-DLBZAZTESA-N 329.371 2.905 0 50 EFAA CSCCN1CCC(NC(=O)c2cccc(-c3ncc[nH]3)c2)CC1 215333576 CMZOSDSWWIGBTC-UHFFFAOYSA-N 344.484 2.634 0 50 EFAA O=C(Nc1nnc([S@](=O)Cc2ccccc2)s1)c1ccco1 170622314 YUIQLFVRYVZAEE-JOCHJYFZSA-N 333.394 2.691 0 50 EFAA CC(C)c1ccoc1C(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 252488535 IUIVSXZUUIATGT-UHFFFAOYSA-N 349.399 2.688 0 50 EFAA Cc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)Cn1nc(C)cc1C 65398820 ZDYAFLXXOHKELV-INIZCTEOSA-N 340.471 2.766 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)NC[C@@H](O)c3cccnc3)c2c1 77555175 OCFVNGNBXVLJAR-LJQANCHMSA-N 335.407 2.964 0 50 EFAA CN(Cc1ncc(Cl)n1C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328629667 ILWXGSHZWYLSRZ-YOEHRIQHSA-N 333.867 2.593 0 50 EFAA O=C(c1ccc2c(c1)N=C(O)CN=C2O)N1CCC(C(F)F)CC1 328941046 SSORITPKKFKZQF-UHFFFAOYSA-N 337.326 2.710 0 50 EFAA CC(C)Cc1nsc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 253630082 AKTKPKTVSJGYAP-GJZGRUSLSA-N 338.521 2.916 0 50 EFAA CN(CCc1ccccn1)[C@@H]1CCN(c2c(F)cccc2F)C1=O 153054082 YBHLVPAGGGGFFB-MRXNPFEDSA-N 331.366 2.640 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 365200302 HCGWTKJAPQPLEM-MRXNPFEDSA-N 335.411 2.626 0 50 EFAA COCCCN1C[C@]2(CCCN(c3ccnc(C)c3)C2)CCC1=O 72420333 NHPRTHWAIDSTQU-LJQANCHMSA-N 331.460 2.636 0 50 EFAA Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2OCCc3ccccc32)nn1 124072358 XKCJJZIMJWRUKN-SFHVURJKSA-N 349.394 2.532 0 50 EFAA Cn1c(CCN2CC[C@]3(C2)C(=O)Nc2ccccc23)nc2ccccc21 364434838 PFKTXEHLUGQRFX-OAQYLSRUSA-N 346.434 2.712 0 50 EFAA COCC1=CCN([C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 367079505 GSFFZISPGQTLTJ-VQTJNVASSA-N 340.467 2.943 0 50 EFAA COc1ncc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1Cl 367676321 VDKMYRFTEBVWJP-SNVBAGLBSA-N 349.822 2.676 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)s1 331663478 SUGNRGAGEFNZCO-GFCCVEGCSA-N 333.413 2.504 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1C(C)(C)C 332735271 VTIVMKPDZVQVLL-HNNXBMFYSA-N 347.381 2.901 0 50 EFAA Cc1nnc(-c2ccccc2C(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 371979146 PLTSJDXEYRETSG-ZDUSSCGKSA-N 337.383 2.788 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)NCc2ncnn2C(C)(C)C)cn1 337577469 XPVGFGPAFGPSAH-LLVKDONJSA-N 331.424 2.522 0 50 EFAA COC(=O)COc1ccc(NC(=O)NCC(F)(F)F)cc1Cl 242389274 ZVUBGGMYPUKUDJ-UHFFFAOYSA-N 340.685 2.576 0 50 EFAA C[C@@H]1C[C@H](O)CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 333570019 XXFVMYHUDMDAFK-ACJLOTCBSA-N 338.407 2.526 0 50 EFAA CCCc1cnc(C)nc1N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 72130834 UOKFMFFTIDQUFD-INIZCTEOSA-N 338.455 2.905 0 50 EFAA CC(C)[C@H](NCc1cn(C)nc1-c1cccnc1)[C@H](CO)C(C)C 449508833 HYQUZQUUOBEPIE-MSOLQXFVSA-N 330.476 2.861 0 50 EFAA Cn1ccnc1[C@@H](NCc1nc2ccccc2n1C)C1CCOCC1 284798504 SAIMIIMTBZMGBQ-SFHVURJKSA-N 339.443 2.564 0 50 EFAA CN1CCC(N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)CC1 71750705 DMDWIRRCQVMVGW-LJQANCHMSA-N 343.515 2.542 0 50 EFAA CCc1ccc(CN2CCN(C(=O)CC[C@H]3CCOC3)CC2)s1 176117028 XNKKGHMBCDDKHN-HNNXBMFYSA-N 336.501 2.771 0 50 EFAA O=C(Cc1cnc2ccccc2c1)N1CCO[C@@H](c2nccs2)C1 130831566 UARSASMIGAFAAK-MRXNPFEDSA-N 339.420 2.834 0 50 EFAA O=C(COC[C@@H]1CCCCO1)NCc1coc(-c2ccccc2)n1 223416159 MWNJTZVROXZZBF-INIZCTEOSA-N 330.384 2.544 0 50 EFAA Cc1nn(C)c2nccc(OCC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c12 289405460 ORFZGLVADJGAAJ-GJZGRUSLSA-N 342.443 2.837 0 50 EFAA O=C(NCCc1nc(-c2ccccc2)cs1)N1CCC[C@@H](O)C1 426712160 OLWCYVPLSJIFOM-CQSZACIVSA-N 331.441 2.519 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(Oc3cccnc3)CC2)n1 426489361 KPRDVIRLNSNTBX-OAHLLOKOSA-N 340.427 2.732 0 50 EFAA CNCc1nnc(SCc2cccc(OC(F)(F)F)c2)n1C 426526937 QMCKHQJAFUEGQM-UHFFFAOYSA-N 332.351 2.725 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC(c4ncncc4C)CC3)cc2[nH]1 426358315 MQOSUIJVQQINKB-UHFFFAOYSA-N 335.411 2.990 0 50 EFAA Cc1[nH]ccc1C(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82137768 XTJSBJJANSKEFA-UHFFFAOYSA-N 341.459 2.598 0 50 EFAA O=C(NCc1cc2n(n1)CCNC2)[C@H](c1ccccc1)C1CCCC1 82136720 YUKVTUMAVDUTGV-LJQANCHMSA-N 338.455 2.577 0 50 EFAA CCCc1nc(C)cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)n1 426652148 XAMQMLOHGBBNPB-INIZCTEOSA-N 325.412 2.923 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2)[nH]n1 97775456 XVFSFQBJFJJRIE-GFCCVEGCSA-N 341.415 2.598 0 50 EFAA Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3)c2)no1 237701112 LXYVIWUQAZZWAU-KCXAZCMYSA-N 326.400 2.904 0 50 EFAA C[C@H]1CCC[C@@H](C)N1CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91794233 RYRFVDCQJLWIOB-CIRFHOKZSA-N 344.455 2.576 0 50 EFAA Cc1nnc(CN(C)C(=O)Nc2cc(-c3nnc(C)o3)ccc2C)o1 96139742 MYDGJAQHNXPEAO-UHFFFAOYSA-N 342.359 2.709 0 50 EFAA Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 180337154 JTVFEZKZECFPFE-GJZGRUSLSA-N 328.368 2.622 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCCc2ccccc21 294268374 RQRBCMYAGMTWMG-NXHRZFHOSA-N 342.439 2.684 0 50 EFAA COc1cccc(SCC(=O)N2CCC(c3nccn3C)CC2)c1 91965828 PWAHJMCXKSPCCM-UHFFFAOYSA-N 345.468 2.927 0 50 EFAA COc1nc2c(cc1C(=O)N[C@H](Cn1ccnc1)C(C)(C)C)CCC2 91858519 LYOHQTHRBTXMTL-MRXNPFEDSA-N 342.443 2.620 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)CO[C@H]3CCCC[C@@H]3CC)c12 184013529 IUJZSAUNZLOANQ-AAEUAGOBSA-N 333.436 2.783 0 50 EFAA CSCC[C@@H](CO)NC(=O)CCn1ccc2c(Cl)cccc21 252496024 PEIDBOHPSVOMPX-LBPRGKRZSA-N 340.876 2.915 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCc2c[nH]nc2C1 531819825 CANZJXZMCJBCPA-CQSZACIVSA-N 338.436 2.749 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 534662671 LAKUNYUCUACPQD-IBGZPJMESA-N 348.406 2.843 0 50 EFAA Cc1cc(C(=O)O)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 534592245 SXAYDQZWPJPXEW-CYBMUJFWSA-N 327.384 2.543 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@H](C)N2CCCC2)c(Cl)cc1F 548370025 HXUJFEBQQBKZSD-NSHDSACASA-N 334.844 2.550 0 50 EFAA CCC1=NO[C@H](C(=O)NCc2csc(Cc3ccccc3)n2)C1 299795859 LZNAOYSCSINZAM-HNNXBMFYSA-N 329.425 2.905 0 50 EFAA COc1ccc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc1C(=O)O 299792872 HBRVXDPYTYVSMK-DKSSEZFCSA-N 349.427 2.552 0 50 EFAA Cc1ccc(CN2CCN(C(=O)NC3(C)CCCC3)CC2=O)cc1 584886679 IJOPFTOBKFNFGO-UHFFFAOYSA-N 329.444 2.682 0 50 EFAA Cc1noc(C2CCN(C(=O)c3cc(COC(C)(C)C)on3)CC2)n1 185330740 YGPWDYAONWEESU-UHFFFAOYSA-N 348.403 2.701 0 50 EFAA CC1(C)CNC(=O)[C@@H]1Nc1nc(-c2ccccn2)nc2sccc12 865948577 PTRPJMMIOPOJRS-LBPRGKRZSA-N 339.424 2.690 0 50 EFAA C[C@@H](NCC1CCCCC1)[C@H](O)C(=O)N[C@H]1CCc2ccccc21 1875316418 PLQCTGNGBZGNMO-CCKFTAQKSA-N 330.472 2.709 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Oc3ccccn3)cc2)cn1 1875381299 QBGLPKWOTUXVAH-MWTRTKDXSA-N 336.395 2.871 0 50 EFAA Cc1cc2ncn(C[C@@H](NC(=O)/C=C/CN(C)C)C3CC3)c2cc1C 1875375667 JABUUDQDLDAJIK-DUMMIQTOSA-N 340.471 2.666 0 50 EFAA CN(Cc1cnn[nH]1)C(=O)NCCc1cccc(-c2ccccc2)c1 1875362841 VXLPVLIDQJWMKF-UHFFFAOYSA-N 335.411 2.856 0 50 EFAA O=C(O)C[C@H]1CN(Cc2nc3c(s2)CCCC3)C2(CCC2)CO1 1875291365 WRCDEICGONNRAA-LBPRGKRZSA-N 336.457 2.620 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3cscc3Cl)C2)nn1 1875283447 SJQGNTFDUXWDFE-JTQLQIEISA-N 326.809 2.528 0 50 EFAA CC(C)[C@H](C(=O)O)C(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 1875266674 BRPPXFKJKHNHPO-GWCFXTLKSA-N 333.413 2.739 0 50 EFAA COc1c(Cl)cc(Cl)cc1CNCCN1CCC[C@H](CO)C1 952989347 IHPIUVNOIMNOAW-LBPRGKRZSA-N 347.286 2.796 0 50 EFAA C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)Cc2c[nH]nc21 952877182 MFLTXBKEPLWDLP-MRVPVSSYSA-N 329.784 2.510 0 50 EFAA CC(C)[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCO2)c1cnn(C)c1 885419305 DYOQHAPXOVKZQI-QGZVFWFLSA-N 343.427 2.940 0 50 EFAA CS(C)(=O)=NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 891164117 GNYCTWZVJFIPKH-BGNCJLHMSA-N 346.452 2.785 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC(Cc3cnc[nH]3)CC2)n1 1775985399 MPDTUXYTLVSOSQ-UHFFFAOYSA-N 325.338 2.986 0 50 EFAA Cc1ccccc1CC(=O)N1CCN(c2ccnc(C(C)C)n2)CC1 110411099 GSWDXZBBHPWALK-UHFFFAOYSA-N 338.455 2.800 0 50 EFAA COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cn1 408515536 HDDPFNBVTSFFEC-XHDPSFHLSA-N 348.761 2.947 0 50 EFAA Cc1noc(C(C)C)c1C(=O)N1CCN(c2cccc(O)c2)CC1 269561062 YIOJNJPOKIPWIR-UHFFFAOYSA-N 329.400 2.774 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCCc2ccccc2F)nn1 276364597 ZPLCAFFWJDEIKQ-DLBZAZTESA-N 346.450 2.961 0 50 EFAA CC1(C)CN(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)C[C@H]1O 279117984 LGIONNANOCGERH-MRXNPFEDSA-N 342.443 2.997 0 50 EFAA CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCNC(=O)C1 189602181 NIWHPJKUWYERRE-GFCCVEGCSA-N 342.361 2.669 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc(C)c1O 190940081 VRIVHWKWPFDDHX-QZTJIDSGSA-N 345.487 2.677 0 50 EFAA O=C(O)c1coc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 191665867 SMYDGMVOBCFAPX-OCCSQVGLSA-N 335.743 2.891 0 50 EFAA COc1ccccc1C[C@H](N[C@@H](C)c1nnnn1C1CC1)C(C)C 192178884 XZBWMOGOOCKIQE-BBRMVZONSA-N 329.448 2.935 0 50 EFAA C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(C(C)(F)F)c2)CS1(=O)=O 666826841 CZNPWBSLHLTYEG-ZWNOBZJWSA-N 346.399 2.886 0 50 EFAA Cc1cc(C(=O)O)nc(N[C@H]2CCCN(Cc3ccccc3F)C2)n1 1506404019 RFONLPHHSNIVQZ-AWEZNQCLSA-N 344.390 2.699 0 50 EFAA O=C(c1cncc(NCCCOC2CCCCC2)n1)N1CCCC1 1704339222 PARAILPEMUTOAY-UHFFFAOYSA-N 332.448 2.864 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C)cc1 1704337751 YXIBRGIYWBJBEJ-UHFFFAOYSA-N 328.460 2.911 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc21 1704312763 YVERXVKSSFJFSG-QGZVFWFLSA-N 340.471 2.728 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(C(C)C)c3)C[C@@H]2O)on1 1704300274 QOWJXAFFWHYKSS-AEFFLSMTSA-N 328.412 2.782 0 50 EFAA Cc1noc(C)c1CN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704300157 YVKHPPQXFQVQIG-OXQOHEQNSA-N 337.423 2.875 0 50 EFAA COc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 5388190 CYDKQFXHFYEJQZ-UHFFFAOYSA-N 335.363 2.558 0 50 EFAA O=c1c(-c2cccs2)[n+]([O-])c2ccccc2n1OCc1ccco1 16527191 POYZEJGMGGSESC-UHFFFAOYSA-N 340.360 2.585 0 50 EFAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 169752902 DACWPKUNCAXOKV-UHFFFAOYSA-N 330.359 2.975 0 50 EFAA CC(C)Oc1cncc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 121493019 GRMVSLTXWOLMPA-HNNXBMFYSA-N 346.475 2.739 0 50 EFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1n[nH]c2ccccc2c1=O 124170086 NKMJFXLJIUQXSV-CABCVRRESA-N 343.427 2.589 0 50 EFAA CCC[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 237021142 GGLWIFQUSKWUCW-INIZCTEOSA-N 328.368 2.644 0 50 EFAA O=C(NC[C@H]1CCCNC1)c1csc(Cc2ccc(F)cc2)n1 237806808 XBLZNYCPSYEYOV-ZDUSSCGKSA-N 333.432 2.602 0 50 EFAA C[C@H]1C[C@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1 262771904 BHNGDVPYXYNACI-KSSFIOAISA-N 337.423 2.512 0 50 EFAA COCc1ccc([C@H]2CCCN2c2c(C)c(C)nc3ncnn23)o1 161760624 OJSFQGINFULWHD-CQSZACIVSA-N 327.388 2.822 0 50 EFAA CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC)C3)co2)cc1 163581384 GIEXFVIYFYMBDV-OAHLLOKOSA-N 343.427 2.698 0 50 EFAA CN(C(=O)Cc1ccn(CC(F)(F)F)n1)c1ccc(Cl)cn1 903238752 VXYMCJQMVJLDSE-UHFFFAOYSA-N 332.713 2.699 0 50 EFAA CN(C)C(=O)c1cccc(-c2noc(C34CCCN(CCC3)C4)n2)c1 903986301 WVEWXICCNXPJPI-UHFFFAOYSA-N 340.427 2.566 0 50 EFAA COCCN(Cc1ccc(C)o1)Cc1cc(-c2nn[nH]n2)ccc1F 821690359 IAGZQFPSVHYCDQ-UHFFFAOYSA-N 345.378 2.556 0 50 EFAA Cc1ccncc1CCNC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 824924807 PPUMBXZSXFZQNM-JCNLHEQBSA-N 339.443 2.510 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)nc1 847078293 HZDOXMURJVUIFW-UHFFFAOYSA-N 333.819 2.720 0 50 EFAA O=C(COc1ccc(Br)cc1Cl)NC[C@@H]1CCCO1 458130 LYOIEPOHGIXEFH-JTQLQIEISA-N 348.624 2.777 0 50 EFAA C[C@H](NC(=O)Cc1cccc(N)c1)[C@@H]1CCN(Cc2ccccc2)C1 261594144 ZNWRZGZNKAMOES-QFBILLFUSA-N 337.467 2.838 0 50 EFAA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 68749 OURSKOUZHPMVEZ-INIZCTEOSA-N 330.384 2.896 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NCCN2CCC(C)CC2)cc1 614286 LRHPAGMQARBDLN-UHFFFAOYSA-N 349.500 2.882 0 50 EFAA O=C([C@H](O)c1ccccc1Cl)N1CC2(COc3ccccc3C2)C1 2100539608 PYVNYZWEOHEFJK-QGZVFWFLSA-N 343.810 2.837 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3nc(C)sc3c2)CC1 2325787899 ARCMONPUXZQIBW-INIZCTEOSA-N 334.441 2.916 0 50 EFAA COC(=O)c1cc(NC(=O)c2cc3c(C)ccc(C)c3[nH]2)cnc1O 2325873287 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C[C@H](CNC(=O)c1cn(C)nc1-c1ccoc1)CN1CCCCC1 225720220 HXRVMCLKHYUCGF-CQSZACIVSA-N 330.432 2.532 0 50 EFAA Cc1cccc(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)c1 9197596 HIRFWYYIKGLWMU-GOSISDBHSA-N 334.419 2.933 0 50 EFAA Clc1ccc2nccc(N3CCO[C@@H](Cn4cccn4)C3)c2c1 172151161 SAMUUGFXVFSXFU-CQSZACIVSA-N 328.803 2.990 0 50 EFAA CCSc1nc(CC(=O)N[C@@H]2C(=O)Nc3cccc(C)c32)cs1 55254315 BRIOCWOQIWBMDO-AWEZNQCLSA-N 347.465 2.916 0 50 EFAA CCCc1nc(CN(CC)C(=O)c2scc3c2OCCO3)no1 55244100 PAFMZXVLJSNSFC-UHFFFAOYSA-N 337.401 2.517 0 50 EFAA O=C(c1cc2n(n1)CCCNC2)N1CCC2(C=Cc3ccccc32)CC1 65373434 XSRRLEVJOYRPAR-UHFFFAOYSA-N 348.450 2.577 0 50 EFAA Cc1nc(NCCc2nc(-c3ccncc3)n[nH]2)c2ccsc2n1 63883055 TVULPSVZFVKKEV-UHFFFAOYSA-N 337.412 2.834 0 50 EFAA COc1cccc2c1CCc1c(C(=O)NCCc3ccncc3)n[nH]c1-2 170625778 ALRXZHACPGKLFC-UHFFFAOYSA-N 348.406 2.551 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348262042 HZYCCCDEKLSHLV-MEDUHNTESA-N 343.333 2.789 0 50 EFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nccs1 67640760 CIBJIRGZPQUYFP-UHFFFAOYSA-N 346.799 2.659 0 50 EFAA O=C(NCCCc1ccccc1)c1ccc(CN2CCOCC2)cc1 20726435 IREQCCDGSKFBFI-UHFFFAOYSA-N 338.451 2.881 0 50 EFAA Cn1nccc1-c1ccccc1CN1CCC(O)(C(F)(F)F)CC1 352833946 UIKXAOBKQPPRKJ-UHFFFAOYSA-N 339.361 2.976 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1 67673468 HLPJFICPFINWEZ-GFCCVEGCSA-N 349.456 2.526 0 50 EFAA CN1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2)[C@H]1c1ccccc1 252536649 JBEYUGZIMHFNJV-ZWKOTPCHSA-N 330.453 2.947 0 50 EFAA CC[C@@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nc(C)no1 67921735 VBPQZMGSIHOQQQ-CQSZACIVSA-N 341.371 2.561 0 50 EFAA CCc1noc2ncc(C(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)cc12 329297759 LBUKETXJROHXLX-INIZCTEOSA-N 341.411 2.816 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2nccc(-c3ccc(F)cc3)n2)cc1 1396202 NOFGZCFGHGXVBU-UHFFFAOYSA-N 344.371 2.666 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCCC[C@H]2CN2CCCC2)cc1 215033129 VNXWLYHQYWHFTP-KRWDZBQOSA-N 336.501 2.540 0 50 EFAA CSCc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)ccc1F 174275833 JWFKERPDZDDVLW-UHFFFAOYSA-N 343.387 2.917 0 50 EFAA CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1cccnc1)CCC2 125081195 XVYHRUQZFBAVRD-ZDUSSCGKSA-N 344.440 2.575 0 50 EFAA COCCN(Cc1ccc(C)o1)c1ncc(Br)cn1 253417729 KBLRTIGOMOKSOD-UHFFFAOYSA-N 326.194 2.794 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)o1 215425919 CBEUEWNIRDRGLE-UHFFFAOYSA-N 341.455 2.622 0 50 EFAA c1ccc(OCc2noc([C@H]3OCC[C@H]3Cn3ccnc3)n2)cc1 328620145 GSPSLPOXINXFGN-BBRMVZONSA-N 326.356 2.623 0 50 EFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccccc1F 38783806 UXJQHDKJCVSVOM-UHFFFAOYSA-N 349.247 2.586 0 50 EFAA Cc1cc(C)n(CCCC(=O)NCC[C@@H]2COc3ccccc3O2)n1 219123080 GQMBBHMANFZTSS-MRXNPFEDSA-N 343.427 2.626 0 50 EFAA C[C@H]1CCN(C(=O)c2cnn([C@H]3CCCNC3)c2)c2c(O)cccc21 333254870 HQGHQAZOOCOVDP-ZFWWWQNUSA-N 340.427 2.667 0 50 EFAA Cc1cccc(-c2nc(CC(=O)N3CC[C@@H](N)C[C@@H]3C)cs2)c1 237600196 CGTHKYDEFARHBT-DZGCQCFKSA-N 329.469 2.999 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 139187121 MPQVURSVIBGLFV-GAIPPQHRSA-N 337.397 2.529 0 50 EFAA CNC[C@H]1CCN(C(=O)CCc2ccc(Br)c(C)c2)C1 178985175 XXOUTNPAPYAZOF-CQSZACIVSA-N 339.277 2.758 0 50 EFAA Cc1cc(CN(C)c2nccc(-c3cnn(-c4ccccc4)c3)n2)n[nH]1 48194559 ITLWHYHVLWLZBJ-UHFFFAOYSA-N 345.410 2.997 0 50 EFAA CC(C)(C)N1CC[C@](F)(c2nc(CC(=O)Nc3ccccc3)no2)C1 289981731 ZVZACTZRRQICHA-GOSISDBHSA-N 346.406 2.920 0 50 EFAA CN1C[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CC1=O 160466805 FETZVJSSRLILLC-AWEZNQCLSA-N 349.390 2.835 0 50 EFAA C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)C(C)(C)C)n(C)n1)C(C)(C)C 20617479 XRCLOSFCBFNGLE-RYUDHWBXSA-N 336.480 2.749 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)C2=Cc3cc(Cl)ccc3OC2)n[nH]1 221277677 OUQQTSFQTWLJJB-CQSZACIVSA-N 344.802 2.906 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cc1 91636364 COGATQOKYOKQJA-PKOBYXMFSA-N 349.434 2.653 0 50 EFAA CN(C)c1nc(NCCc2cnn(-c3ccccc3)c2)ncc1F 95364372 AIPZOKYWSGBYSF-UHFFFAOYSA-N 326.379 2.522 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCN(C4CCOCC4)CC3)oc2c1 91435180 ALYMOQWDNWWULX-UHFFFAOYSA-N 342.439 2.986 0 50 EFAA C[C@@H](CCC(=O)N(C)Cc1cccc2cnccc12)N1CCOCC1 244574759 CQWKPJSQAZWDPL-INIZCTEOSA-N 341.455 2.694 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](O)CC2)c2ccncc2)cc1 243901825 BEJSEXPYSQUYLM-ZIFCJYIRSA-N 340.423 2.847 0 50 EFAA COc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc(OC)c1C 299745213 WSZQFVDNVPRORP-CQSZACIVSA-N 335.400 2.872 0 50 EFAA CCn1ncc(C)c1NC(=O)c1ccc(N2CCOCC2)c(C)c1 618444714 CDKCMWBDTNXMHX-UHFFFAOYSA-N 328.416 2.609 0 50 EFAA Cc1cc(S(=O)(=O)NCCC[C@@H]2CCOC2)c(Cl)cc1F 452010324 AVAINFDHBSPKIC-LLVKDONJSA-N 335.828 2.883 0 50 EFAA COc1ccc(C)c(NC(=O)NC2CCN(CCSC)CC2)c1 299800344 WYWULHDQKXTVBW-UHFFFAOYSA-N 337.489 2.953 0 50 EFAA CCCn1nccc1S(=O)(=O)N[C@@H](CC)c1nc(C)c(C)s1 823033195 MLAMXJAKASFOFQ-LBPRGKRZSA-N 342.490 2.796 0 50 EFAA O=C(NCCCn1cc(Cl)cn1)[C@@H]1CCCN1Cc1ccccc1 670467472 WKHJGNYVJQTZLO-KRWDZBQOSA-N 346.862 2.707 0 50 EFAA O=C(O)c1ccnc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 1875272974 NQPCCNKRLGTBLS-GFCCVEGCSA-N 344.333 2.965 0 50 EFAA O=C(N[C@@H]1CCC[C@]23OCC[C@H]2C[C@H]13)c1ccc(-n2cccc2)nc1 1875297073 BIQFDMZYOAVHRN-XLSPSMHOSA-N 337.423 2.950 0 50 EFAA COCc1cnc(NC(=O)c2cc(C(=O)O)c(OC)cc2C)s1 1875318337 GDEFWXDQSKNZON-UHFFFAOYSA-N 336.369 2.557 0 50 EFAA COC(=O)[C@@H](C)[C@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1875370406 NRMAWSAFLWFPFW-WCBMZHEXSA-N 331.199 2.802 0 50 EFAA CC(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC(CO)CC1 1875335415 IAQXVXHGNURMTH-VQTJNVASSA-N 344.499 2.622 0 50 EFAA Cc1occc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848583 PXTORDRMJQMVDZ-CABCVRRESA-N 326.400 2.849 0 50 EFAA CCOc1ccccc1CNC(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875400887 BYFBYGUWZWGZFC-QWHCGFSZSA-N 343.427 2.771 0 50 EFAA CCCc1cc(C(=O)N[C@]2(C)CCN(c3cc(F)ncn3)C2)c(C)o1 1875408057 NOWPCDBASFKHJB-GOSISDBHSA-N 346.406 2.868 0 50 EFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2snnc2C(C)C)c1 952984923 OTCOFMLCCLOWMY-UHFFFAOYSA-N 348.428 2.807 0 50 EFAA O=C(N[C@H](CO)c1ccccc1C(F)(F)F)[C@@H]1OC[C@@H]2CCC[C@@H]21 886569794 RYFRUIWRRBDLJF-UOVKNHIHSA-N 343.345 2.670 0 50 EFAA CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)O)C(=O)N[C@H]1CC=CCC1 888099569 QZNKOGLVROWJAO-UONOGXRCSA-N 340.464 2.608 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)C2Cc3ccccc3C2)C1 888103039 AZTMOEBYSUNZJF-MSOLQXFVSA-N 339.439 2.730 0 50 EFAA Cn1c(C(=O)O)ccc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 1775993699 HRPJFZVGKAMJNY-HZPDHXFCSA-N 346.358 2.513 0 50 EFAA CCCOc1cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)ccc1OC 271190646 LNFGPRHVNIKKBR-QLEMLULZSA-N 325.474 2.825 0 50 EFAA CC(=O)N(C)Cc1cn(-c2cc(C(F)(F)F)ccc2Cl)nn1 899733101 PSDVVQQWAABMMW-UHFFFAOYSA-N 332.713 2.918 0 50 EFAA CCn1cc([C@@H]2CN(c3ccc(Br)cn3)CCO2)cn1 276586155 BKBVKHUYIGOYKD-ZDUSSCGKSA-N 337.221 2.638 0 50 EFAA C[C@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1ccccc1 170599277 TUKNNWITVKTURZ-GOEBONIOSA-N 327.380 2.884 0 50 EFAA COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 170773907 UGUQYFNIBFXTLE-OLZOCXBDSA-N 344.392 2.748 0 50 EFAA FC(F)(F)c1cnc(CN2CCN(Cc3ccccn3)CC2)s1 279482104 WWUHMJMJCQOAFW-UHFFFAOYSA-N 342.390 2.875 0 50 EFAA COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccnc(C)c1 171962762 JRRRURRMGNJYPX-UHFFFAOYSA-N 340.788 2.631 0 50 EFAA Cc1c(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cnn1C(C)C 190496013 IGJZXUDLFUWOSG-OAHLLOKOSA-N 333.363 2.857 0 50 EFAA COc1ccc(-c2ccnc(N3CCC[C@@H]([C@H]4CCNC4)C3)n2)cc1 643048325 QNCDGDZYJVCWPG-DLBZAZTESA-N 338.455 2.978 0 50 EFAA O=C1C[C@H](C(=O)NCc2cc3c(s2)CCCC3)[C@H]2CCCC[C@@H]2N1 666695211 SIHIEOJVUDTENS-PMPSAXMXSA-N 346.496 2.938 0 50 EFAA COc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1Cl 1529134326 WAVHFRUUXQXOST-ZBFHGGJFSA-N 346.814 2.731 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)c(F)c3)C1)CC2 1704339971 AAPWMRXNVRDPTF-LJQANCHMSA-N 341.386 2.750 0 50 EFAA O=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1 12437524 XLTZXPVUVMFQHD-AWEZNQCLSA-N 332.419 2.984 0 50 EFAA Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)no1 13329123 METVEAAVRHKBBA-UHFFFAOYSA-N 331.397 2.678 0 50 EFAA COc1cccc(N2C[C@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2=O)c1 13858097 XOJAIZSRWNRGCE-QLFBSQMISA-N 330.428 2.553 0 50 EFAA 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HWGKVGZOBSWRKP-CQSZACIVSA-N 349.394 2.949 0 50 EFAA CCN1CCCN(C(=O)c2ccnc3cc(Cl)ccc23)CC1=O 935581716 QQEKKJVZYHTDIJ-UHFFFAOYSA-N 331.803 2.583 0 50 EFAA Cc1cc(N2CCC(c3n[nH]c(CN)n3)CC2)c2cc(F)ccc2n1 2325772588 BANZZULTBIRRAD-UHFFFAOYSA-N 340.406 2.643 0 50 EFAA C[C@@H]1C[C@H]1S(=O)(=O)NC(=O)COc1ccccc1-c1ccccc1 2325773632 DURHDNJKKFLCAG-CXAGYDPISA-N 345.420 2.587 0 50 EFAA CC(C)(C)Nc1nc(NC2CCCCC2)nc(N2CCOCC2)n1 208091 LEFZPEBZXQSSAK-UHFFFAOYSA-N 334.468 2.663 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 309306 JQHQAFPHYVDWSX-RBUKOAKNSA-N 345.395 2.924 0 50 EFAA NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 416784 AKJYJPFUPCNNMH-UHFFFAOYSA-N 345.815 2.560 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc(C)cc1C 528029 AHSDEPYCRFIMDS-MRXNPFEDSA-N 346.452 2.918 0 50 EFAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1ccccc1Br 2674944 CYLWWMYXPYMYDC-QMMMGPOBSA-N 347.423 2.868 0 50 EFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(F)c(F)c2)C1=O 2356139559 SCUKKJLSIILOHR-GOSISDBHSA-N 336.382 2.970 0 50 EFAA O=C(c1ccnc2ccccc12)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356141586 ICSXXGJQKQNQQS-OAQYLSRUSA-N 349.434 2.994 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCc2ccc(C)cc2C)CC[C@@H]1O 2356143018 QXDMGXTVNMUTQV-FXAWDEMLSA-N 347.455 2.700 0 50 EFAA O=c1oc2ccccc2n1CCN1CCC(OC(F)(F)F)CC1 2356160462 SYECEJWWAYLQMK-UHFFFAOYSA-N 330.306 2.595 0 50 EFAA CCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)cn1 6741137 YQIOMRQOXLBXHZ-UHFFFAOYSA-N 348.197 2.605 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(C)cc1)CC2=O 10339441 OIWWIZAGOAWNOB-CYBMUJFWSA-N 325.364 2.773 0 50 EFAA Cc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)c(C)c1 8682417 SWFYYJPIXALPQF-UHFFFAOYSA-N 327.457 2.612 0 50 EFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc[nH]c2C2CC2)cn1 225493429 PCRRJPXGYDKNPI-WMLDXEAASA-N 327.384 2.556 0 50 EFAA CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)nc2)CC1 116220946 YUSOZSVPDQOXRL-OAHLLOKOSA-N 327.432 2.951 0 50 EFAA COc1ccc(CN(CC(C)C)C(=O)C(=O)Nc2cc(C)on2)cc1 55308374 XAZWFMFHPOMRSV-UHFFFAOYSA-N 345.399 2.615 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCN(CC(C)C)CC1 248265091 XNSQCBMGHOFFEM-RTBURBONSA-N 335.536 2.830 0 50 EFAA COc1ccc2[nH]c(CN3CCC(CNC(C)=O)CC3)c(C)c2c1 67840084 HJDWOQIVDNUVQF-UHFFFAOYSA-N 329.444 2.833 0 50 EFAA Cc1ccc(C)c([C@@H](NC(=O)c2cc(C)nc(N)n2)c2cccnc2)c1 67868372 MFMDERHREHACTB-SFHVURJKSA-N 347.422 2.898 0 50 EFAA CCN1CCN(C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 22918008 FGUGTIYSGNXZMK-LJQANCHMSA-N 340.467 2.731 0 50 EFAA COCCn1cncc1CNC(=O)c1cc(C)nc2ccc(C)cc12 65380803 JAVYWKHCUYUBQL-UHFFFAOYSA-N 338.411 2.625 0 50 EFAA CC(C)n1ccc(CN2CC[C@H](CNC(=O)c3ccncc3)C2)c1 67725516 TWANTXJGFNMWGL-MRXNPFEDSA-N 326.444 2.716 0 50 EFAA CC[C@H](C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088957 JTVLEAJZBAVYCL-VIFPVBQESA-N 349.228 2.848 0 50 EFAA Cc1nc(CN2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)oc1C 252475323 YJFHVHWSHRARRR-RDTXWAMCSA-N 329.444 2.531 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N[C@@]1(CO)CCCc2ccccc21 281743159 IPDFFBDGKJFUGV-LJQANCHMSA-N 342.443 2.889 0 50 EFAA Cc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)c1O 67655101 CSLKCJYPNHEGMN-HNNXBMFYSA-N 328.412 2.936 0 50 EFAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 151479324 RZPNBAVLZJICKS-GFCCVEGCSA-N 345.447 2.718 0 50 EFAA Cc1nc(S(=O)(=O)N[C@@H](C)C(C)C)sc1Br 125503790 YJQIWJFOECLRGM-LURJTMIESA-N 327.269 2.537 0 50 EFAA Cc1cnn(C2(C(=O)O)CCN(Cc3cc(F)cc(F)c3)CC2)c1 77318951 XJJIFTKIQXNUST-UHFFFAOYSA-N 335.354 2.546 0 50 EFAA O=C(O)C[C@@H]1COCCN1CC(c1ccccc1)c1ccccc1 72149948 FITIQYFSRUUBDA-GOSISDBHSA-N 325.408 2.994 0 50 EFAA Cc1nc(CCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n[nH]1 72454569 BDZYLDGKXHREAN-UHFFFAOYSA-N 341.440 2.828 0 50 EFAA O=C(O)c1csc(CNC(=O)c2ccccc2OC2CCC2)n1 124269236 FNIWOKUYKSGNIC-UHFFFAOYSA-N 332.381 2.703 0 50 EFAA CCc1ccccc1C(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 72137094 HBIZBANFKABLJS-SFHVURJKSA-N 348.446 2.747 0 50 EFAA O=C([C@H]1CCC[C@H](C(=O)N2CCCCCO2)C1)N1CCCCCO1 329952926 NLSXTTISPIQLAC-HOTGVXAUSA-N 338.448 2.681 0 50 EFAA O=S(=O)(NCCc1ccc2[nH]ccc2c1)c1ccc2c(c1)CCO2 443085555 BXCBNDFUFBDQMG-UHFFFAOYSA-N 342.420 2.624 0 50 EFAA c1ccc(-c2nc3c(c(N4Cc5ccccc5C4)n2)CCNC3)nc1 72142131 ONBGAUMEAVKLNX-UHFFFAOYSA-N 329.407 2.705 0 50 EFAA Cc1noc(Cl)c1CCC(=O)N[C@@H](CO)c1cccc(F)c1 356365893 JYKKYDTZTZASBC-ZDUSSCGKSA-N 326.755 2.558 0 50 EFAA COc1ccc(CN2CCC([C@@H](C)N3CCOCC3)CC2)cc1C 72433035 JESOJDXPMHHJET-QGZVFWFLSA-N 332.488 2.936 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)N[C@H](c1ccccc1)c1nccs1 153471036 WJZFOFOYDIUJRV-MRXNPFEDSA-N 339.424 2.518 0 50 EFAA O=C(NCc1ccnc(-n2ccnc2)c1)c1cnc(-c2ccccc2)[nH]1 363240264 KOSKHARJTYJSGU-UHFFFAOYSA-N 344.378 2.587 0 50 EFAA COc1ccc(OC2CCN(C(=O)CCn3ccnc3C)CC2)cc1 77302160 BJOFPLJPAXRLAC-UHFFFAOYSA-N 343.427 2.660 0 50 EFAA CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc21 363559243 ALCXDARRMRAMCV-OAHLLOKOSA-N 349.390 2.660 0 50 EFAA O=C(Nc1ccc2c(c1)CCO2)Nc1cnn(C[C@@H]2CCCO2)c1 363957700 GDBTYHAUTYBYKE-HNNXBMFYSA-N 328.372 2.641 0 50 EFAA CCn1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1Cl 236965084 JLKRNXGCQDVJME-NSHDSACASA-N 327.812 2.582 0 50 EFAA CN(CCC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 237226673 SHUAXTWABVUPTH-MNOVXSKESA-N 331.290 2.622 0 50 EFAA O=C(Cc1cccnc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261885981 VAXOFPMOBJBHHS-QGZVFWFLSA-N 341.480 2.857 0 50 EFAA C[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1)c1cccs1 339781346 XZFYWOQMQYXNED-APHBMKBZSA-N 348.443 2.872 0 50 EFAA c1ccc2c(c1)CCCC[C@]21CCCN(c2ccc3nnnn3n2)C1 374541143 JILOXYLHCKTGIO-LJQANCHMSA-N 334.427 2.784 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(OCC(F)(F)F)cc1 262624532 NKQLRCUWRAKSFV-UWJYBYFXSA-N 331.290 2.526 0 50 EFAA CN(C)c1n[nH]c(C2CCN(c3nc4ccccc4s3)CC2)n1 285660193 OTLXVAVNLYLTFU-UHFFFAOYSA-N 328.445 2.864 0 50 EFAA COc1ccc(-c2ccc(C)c(NC(=O)c3ccc(O)nn3)c2)cn1 377119031 GCVNBMWXTOAKIO-UHFFFAOYSA-N 336.351 2.814 0 50 EFAA Cc1nn(C)c(C)c1CNCc1ccc(OC2CCN(C)CC2)cc1 283913065 IKAVPLMXBKZWTJ-UHFFFAOYSA-N 342.487 2.800 0 50 EFAA O=C(CCCc1cn[nH]c1)N[C@H]1CCCN(CC2CCCCC2)C1 72170383 RKVHQEMWYNKTOL-SFHVURJKSA-N 332.492 2.893 0 50 EFAA Cc1cccc(CNC(=O)CN(CCO)Cc2cccc(Cl)c2)c1 241869054 SUACIKJCIWXYAZ-UHFFFAOYSA-N 346.858 2.759 0 50 EFAA O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(-c2cc[nH]n2)s1 242048079 VSNODCCGMFIIFA-CJNGLKHVSA-N 325.393 2.526 0 50 EFAA CCCc1nc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)no1 72128115 QWCGICFAYABGIX-UHFFFAOYSA-N 326.400 2.537 0 50 EFAA CCOC(=O)Nc1scnc1C(=O)NCc1cnc(C2CC2)o1 496186528 CWZARULHXUIUFL-UHFFFAOYSA-N 336.373 2.507 0 50 EFAA Cc1cccc2nc(N3CCC[C@@H](N(C)CC(=O)O)CC3)sc12 263537456 AHNARHNIXWVNHU-CYBMUJFWSA-N 333.457 2.980 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnc(C3CC3)nc2N)cc1 288048193 FDYZAAHSIIXMDP-GOEBONIOSA-N 338.411 2.621 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1nc(C)no1)CCC2 1368042249 BFTLWTVUERYCGB-BMIGLBTASA-N 330.388 2.824 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2ccn[nH]2)C1 229220107 BCNVLBLICBUQPK-NWDGAFQWSA-N 333.823 2.665 0 50 EFAA CC(C)(C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 82107212 YTAYXBAKXXZZCB-UHFFFAOYSA-N 332.492 2.941 0 50 EFAA Cc1nc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)s1 178848442 IKSFKKLCUZAOFW-UHFFFAOYSA-N 340.408 2.977 0 50 EFAA Cn1cc(C(=O)Nc2nc3c(s2)COCC3)c(-c2cccs2)n1 179364479 GVTCTDVOSGAMIN-UHFFFAOYSA-N 346.437 2.930 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1c1ccccc1 91574422 RIDUDTUGSUEMJN-JKSUJKDBSA-N 347.374 2.570 0 50 EFAA CC(C)c1nnc(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 91473948 CNMSNMYEEJZGNR-KRWDZBQOSA-N 334.489 2.890 0 50 EFAA CN(CC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1)c1ccccc1 91441503 KYSJXQMUQKELMO-LJQANCHMSA-N 338.451 2.706 0 50 EFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1 97213131 YWISTKWCWBTUIG-CQSZACIVSA-N 347.300 2.900 0 50 EFAA O=C1C[C@@H](C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c2cc(F)ccc2N1 97602151 GYMHEAPVJLBQIA-MOEWQIFZSA-N 328.387 2.756 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N3CCC(n4cnnc4)CC3)cc2C1 91769512 PLHFXQPIKPDUPR-GFCCVEGCSA-N 330.457 2.942 0 50 EFAA N[C@@H]1CCC[C@@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 237972461 WSFPXTJPJAVWOG-HUUCEWRRSA-N 326.444 2.786 0 50 EFAA COCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95390284 NTLRTKITWQKSKR-SFHVURJKSA-N 342.483 2.894 0 50 EFAA Cc1cccc2c(O)c(C(=O)N3CCC[C@H](n4cccn4)C3)cnc12 163029517 AVVILCFFBQJQLR-AWEZNQCLSA-N 336.395 2.923 0 50 EFAA Cc1nc(Cn2nc(C)c(C)c2C)n(-c2ccc3c(c2)OCCO3)n1 96162014 NBKMRQJQZQXIJL-UHFFFAOYSA-N 339.399 2.517 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CC1(CO)CCCC1 240662470 PLKKIZARAVFKPO-KRWDZBQOSA-N 334.460 2.897 0 50 EFAA O=C(NCc1nc2cc(F)ccc2[nH]1)C1(N2CCCC2)CCCC1 244574996 CUWBXYVTTPXOMQ-UHFFFAOYSA-N 330.407 2.727 0 50 EFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3sccc3[C@H]2C)C1 252457281 UIGBDGXFYVNVSY-JHJVBQTASA-N 328.503 2.890 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 299744990 QNIGWKXXBAUQJS-GOEBONIOSA-N 327.384 2.858 0 50 EFAA CCc1nc(CCNC(=O)c2cc3ccccc3n(C)c2=O)cs1 534664663 IWRFCDVMIFXPAP-UHFFFAOYSA-N 341.436 2.530 0 50 EFAA COCCn1c(C)cc2cc(NC(=O)NCCN3CCCC3)ccc21 299765012 YPOOBPOLMWVTNU-UHFFFAOYSA-N 344.459 2.813 0 50 EFAA Cc1nc(C)n(CCCNC(=O)N2CCCC[C@H]2c2nccs2)n1 584893070 PIUPJWRUDDGFEW-AWEZNQCLSA-N 348.476 2.678 0 50 EFAA CN(C)CC[C@@H](NC(=O)NCC1(O)CCCCC1)c1ccccc1 584898413 IBFFSIGLGZGHIU-QGZVFWFLSA-N 333.476 2.674 0 50 EFAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](Cn3ccnc3C)C2)s1 584884551 IYINNSNUWPDCQG-HNNXBMFYSA-N 332.473 2.746 0 50 EFAA Cc1ccc2ncn(C[C@@H]3CC(=O)N(c4ccccc4)C3)c(=O)c2c1 584898225 KFOVYMFMWKDWTF-HNNXBMFYSA-N 333.391 2.758 0 50 EFAA CC(C)NC(=O)CN[C@H](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1875279607 OPAPUHRUGXFGIG-HUUCEWRRSA-N 341.496 2.526 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)N1CCCN(c2ccccn2)CC1 1875260117 UZBLEMVILVNYAA-UHFFFAOYSA-N 341.459 2.774 0 50 EFAA O=C(O)COCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 1875266692 QVQMDMLARDJHRI-ZDUSSCGKSA-N 345.317 2.860 0 50 EFAA CCCC1(C(=O)NCc2ccc(-n3cc([C@@H](C)O)nn3)cc2)CC1 1875323287 DEFQWPLGXNYYMA-CYBMUJFWSA-N 328.416 2.517 0 50 EFAA O=C([C@@H]1COc2ccc(O)cc2O1)N1Cc2ccccc2C2CC1C2 1875302490 SIAGTTZSXFXAQH-MHVYXZCWSA-N 337.375 2.820 0 50 EFAA Cn1nnc(C(=O)N2CCc3cc(Cl)cc(F)c3C2)c1C(F)F 1875310103 DGDIWDMORFCOJB-UHFFFAOYSA-N 344.724 2.744 0 50 EFAA NC(=O)c1c(Cl)cccc1N1CCN(Cc2ccsc2)CC1 888095720 UPOZLAWPLDHNPR-UHFFFAOYSA-N 335.860 2.823 0 50 EFAA O[C@@H]1CCN(Cc2cccc(NCc3cn4ccnc4s3)c2)C1 894569038 DJOPZJUAVNMDJM-OAHLLOKOSA-N 328.441 2.575 0 50 EFAA CN1C(=O)CC[C@H](CNc2nccc3occc23)[C@H]1c1cnn(C)c1 1775959215 MDLBVXUQYDJACN-PXAZEXFGSA-N 339.399 2.583 0 50 EFAA Cc1cccc(C2=CCN(C(=O)NCC[C@@]3(O)CCOC3)CC2)c1C 895560992 VEGYCCFHXTXUKG-HXUWFJFHSA-N 344.455 2.644 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cncc(Br)c1 248140086 PYJWJAJMQCMYSA-UONOGXRCSA-N 338.249 2.543 0 50 EFAA CN(C)C(=O)c1cnc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(Cl)c1 273277824 IPMBQNITPYVPQE-GXTWGEPZSA-N 339.867 2.670 0 50 EFAA COc1ccccc1/C=C/CN[C@H]1CCCO[C@@H]1c1nccn1C 275711570 YIZCJGNVEYQVIO-WIVVLVHASA-N 327.428 2.952 0 50 EFAA O=C(CCCC(=O)C1CC1)NCc1cccc(CN2CCCC2=O)c1 408519359 JYAQKRAHXJLCDU-UHFFFAOYSA-N 342.439 2.575 0 50 EFAA Cc1nc(CO[C@@H]2CCN(C(=O)CC[C@H]3CCCCO3)C2)cs1 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2.622 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)c2cc3cccc(F)c3o2)(C(=O)O)C1(C)C 685024393 VTSNAIJFRQMYFE-FZKQIMNGSA-N 349.358 2.960 0 50 EFAA O=C1CCC[C@@H](Cc2nc(C(F)(F)c3ccc(F)cc3)no2)N1 685277962 HAZPRDNSDIDUSK-NSHDSACASA-N 325.290 2.560 0 50 EFAA COc1cccc(CNC2CCC(CS(C)(=O)=O)CC2)c1F 648629544 OBMBEJUHULUHJA-UHFFFAOYSA-N 329.437 2.527 0 50 EFAA Cc1cccc(OC(C)(C)C(=O)N(CCO)Cc2[nH]cnc2C)c1C 1704332532 ZVJUFTLQIGDSNT-UHFFFAOYSA-N 345.443 2.513 0 50 EFAA O=C(c1cncc(NCc2cc(-c3ccco3)on2)n1)N1CCCC1 1704096318 XQJUSZJDBKIKAV-UHFFFAOYSA-N 339.355 2.573 0 50 EFAA OC[C@]12CCOC[C@H]1CN(c1ncc(C(F)(F)F)cc1Cl)C2 1772700532 CIJBVUQBRUSNKM-ZWNOBZJWSA-N 336.741 2.589 0 50 EFAA COc1cccc(-c2cc(CNc3ncc(F)c(OC)n3)on2)c1 1772702265 CKMJNOHQNDVRDD-UHFFFAOYSA-N 330.319 2.900 0 50 EFAA CSCCN1C(=O)CC[C@@H]1CCNCCOc1ccc(F)cc1 12100210 DQQQYIHPSNZQKN-OAHLLOKOSA-N 340.464 2.538 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccccn2)c(OC)cc1Cl 12042878 IPJYAKXMLIMWHV-UHFFFAOYSA-N 328.777 2.553 0 50 EFAA COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12864970 RCCMYWCMLHRLHJ-UHFFFAOYSA-N 346.427 2.696 0 50 EFAA CCOc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 15019465 GEOJNSUPKRMQDS-UHFFFAOYSA-N 333.413 2.850 0 50 EFAA Fc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19349159 PLKMKTFWFIDGBZ-UHFFFAOYSA-N 328.387 2.872 0 50 EFAA CS(=O)(=O)c1ccc(-c2nccn2CC[C@@H]2CCCOC2)cc1 1857677054 PVXFCYSETBQQOR-AWEZNQCLSA-N 334.441 2.770 0 50 EFAA COc1cc(C)c(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc1OC 408469716 MMKMDYCDWYFBTI-AWEZNQCLSA-N 344.415 2.806 0 50 EFAA CO[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 225650012 MJTORIFLEAEUPY-MAUKXSAKSA-N 342.443 2.624 0 50 EFAA C[C@H](O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 118728954 FWUVEGSZAKDRKX-LBPRGKRZSA-N 333.819 2.759 0 50 EFAA Cn1ccnc1COCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 646644378 SSJGFWJKJAQFOL-HNNXBMFYSA-N 333.819 2.954 0 50 EFAA CC(C)(C(=O)N1Cc2ccc(Cl)cc2C1)S(=O)(=O)C1CC1 333769566 RFLOIHUWSOJHCJ-UHFFFAOYSA-N 327.833 2.538 0 50 EFAA COc1ccc(Cl)cc1C(=O)Nc1ccnn1C[C@H]1CCOC1 241287084 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263179350 HCBJSZJCAPPTIN-LBPRGKRZSA-N 341.363 2.827 0 50 EFAA COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CC=CCC3)CCC(=O)N2C)cc1 265474801 ZFUJKYMFVYGWTD-SZVBFZGTSA-N 342.439 2.830 0 50 EFAA Cn1nc(C(=O)NCCc2ccn(-c3ccccc3)n2)c2ccccc21 1125694989 CFESDPUANHLQLR-UHFFFAOYSA-N 345.406 2.732 0 50 EFAA C[C@H](NC(=O)c1cc(C(F)F)ncn1)c1nc2ccccc2n1C 929083672 RMATUOBCAKKQAE-VIFPVBQESA-N 331.326 2.792 0 50 EFAA Cn1cnc2cncc(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)c21 831875319 JTBIAUCAJSFDOO-UKRRQHHQSA-N 342.349 2.747 0 50 EFAA Cc1c(Cl)cncc1NC(=O)NC[C@H]1CCCN1CC(F)F 931580439 NTWREGCCXSFEJE-SNVBAGLBSA-N 332.782 2.894 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(Cc3ncc(C)o3)CC2)n1 931841042 XMPVPUYKTWFEDP-WBVHZDCISA-N 346.431 2.849 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)CC2CCOCC2)C1 262815826 AJVVTVUWTLWEIU-ZWKOTPCHSA-N 345.439 2.943 0 50 EFAA CCc1cc(=NCc2ccc3c(c2)OCCN3)[nH]c(-c2ccccn2)n1 2325771018 QHIMQFKAOVRLND-UHFFFAOYSA-N 347.422 2.939 0 50 EFAA CC(C)(c1cn(CCC(C)(C)C(F)(F)F)nn1)N1CCOCC1 2325772853 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325.364 2.855 0 50 EFAA CC(C)Cc1noc(-c2ccc(N(C)Cc3cnn(C)c3)nc2)n1 20998999 KOUBOQBCPBCDDL-UHFFFAOYSA-N 326.404 2.700 0 50 EFAA Cc1cc(N2CCC(Nc3ncccn3)CC2)nc(-c2cccnc2)n1 65410906 AUSHOPWKAZZYQZ-UHFFFAOYSA-N 347.426 2.718 0 50 EFAA Nc1cccc(C(=O)NCC[C@@H]2CCCN(Cc3ccco3)C2)c1 67817079 KFWPLVLRRZXNIR-HNNXBMFYSA-N 327.428 2.894 0 50 EFAA CC(C)CN1C[C@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1=O 20601252 ISFTXXDDNVWMML-CQSZACIVSA-N 339.439 2.557 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 136145285 SNEJMAPLVSTWJO-GFCCVEGCSA-N 346.408 2.659 0 50 EFAA O=C(NCCNC(=O)N1CC=C(c2cccs2)CC1)c1ccco1 117958127 CRDBYRBROVRPBH-UHFFFAOYSA-N 345.424 2.570 0 50 EFAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1sccc1Br 250152621 AXBMNHUMRJTWQY-AKEJEFCPSA-N 344.230 2.740 0 50 EFAA CCCCCc1nnc(NC(=O)N(C)C2CCN(C)CC2)s1 23380250 YKJZSUIUXPWYKE-UHFFFAOYSA-N 325.482 2.829 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCN1CCN(C[C@@H](O)c2ccccc2)CC1 229372638 GIVOUAYTNYJUGK-NRSPTQNISA-N 346.515 2.933 0 50 EFAA Cc1ccccc1-c1n[nH]c2c1CN(Cc1cnc3nccn3c1)CC2 23506646 CPUHLSWKPTVRDR-UHFFFAOYSA-N 344.422 2.986 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CNC(=O)c1cccs1 252497269 QCTCQATUHJNSQQ-JTQLQIEISA-N 334.363 2.667 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C)c1ccc(F)cc1 252517629 NCSXDRDCLVIDEI-WOSRLPQWSA-N 328.453 2.536 0 50 EFAA CS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 282090481 JHFKOJRRXWOGLZ-JCYILVPMSA-N 335.469 2.606 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN[C@@H](C)C(=O)Nc2nccs2)c1 65376115 YZMBVMBKGBSTAL-ZDUSSCGKSA-N 346.456 2.705 0 50 EFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccccc1F 328630122 JAVQPWBMFDGGAJ-ZDUSSCGKSA-N 333.432 2.843 0 50 EFAA C[C@H]1CN(C(=O)c2ccn(COc3ccccc3Cl)n2)C[C@H](C)O1 2794277 PECFQMWVHJFZJB-STQMWFEESA-N 349.818 2.822 0 50 EFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)C3=COCCC3)CC2)cn1 328651838 WBPVAXLDGKFKEH-INIZCTEOSA-N 344.459 2.635 0 50 EFAA O=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCCc2occc21 126487370 NJPNZQVZQAYECQ-HNNXBMFYSA-N 337.383 2.737 0 50 EFAA 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CC[C@@H]1CN(C(=O)c2ccc[nH]2)CCC(=O)N1Cc1ccccc1 71753894 NZYSNDNOTJXBNJ-MRXNPFEDSA-N 325.412 2.668 0 50 EFAA O[C@@H](Cc1ccc2ccccc2c1)CN1CCC(c2nc[nH]n2)CC1 369141006 XUUZUEFYAHFDMC-IBGZPJMESA-N 336.439 2.741 0 50 EFAA Cn1cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c2ccccc21 261790421 YWQYTWWWLKDJLF-OAHLLOKOSA-N 340.301 2.658 0 50 EFAA Cn1ncc(Cl)c1CNc1nnc([C@H]2COc3ccccc3O2)o1 128787225 WHYCXZVYBDCACW-CYBMUJFWSA-N 347.762 2.581 0 50 EFAA O=C(Nc1cccc(C2CC2)n1)N1CCC[C@@H](N2CCCC2=O)CC1 333948255 WEGFCESRBVJHCI-OAHLLOKOSA-N 342.443 2.968 0 50 EFAA Cc1cc(=O)[nH]c(CCNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)n1 71765551 AJINJXPIZFPIIR-UHFFFAOYSA-N 338.411 2.656 0 50 EFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 215160671 ZWYAKSNNZKQWON-HXUWFJFHSA-N 345.531 2.551 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)/C=C/c2cc(Br)cs2)C1 237778836 IJAKCFNTNDSYJZ-IBUXWKBASA-N 344.230 2.847 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)cn1 72429673 IUQRJFWUXWBPLE-HNNXBMFYSA-N 344.411 2.571 0 50 EFAA CCc1oc2ccccc2c1CN1CC(n2cc([C@@H](C)O)nn2)C1 374818132 JZOBZSWLEDGPND-GFCCVEGCSA-N 326.400 2.697 0 50 EFAA O=C(C[C@@H]1CNCCO1)N1CCC(CCCc2ccccc2)CC1 215241961 ARSCDARBASSXOZ-LJQANCHMSA-N 330.472 2.626 0 50 EFAA CCn1c(N)nc2cc(C(=O)NCc3ccc(Cl)s3)cnc21 77341553 MOORJUKYGLRQEL-UHFFFAOYSA-N 335.820 2.678 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCCc3cn[nH]c3)C2)c1 77355924 XBGZRKFRGNUDMG-HNNXBMFYSA-N 343.427 2.766 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(F)cc3F)C2)nn1 285480933 LQIRBJIVMZVFJZ-KRWDZBQOSA-N 336.386 2.621 0 50 EFAA CS(=O)(=O)C1(c2noc(-c3cccc(Br)c3)n2)CC1 240551545 GUNXUVUZQKWQDT-UHFFFAOYSA-N 343.202 2.533 0 50 EFAA Cc1nc(N(C)CC[C@H](O)c2ccccc2)c2c(C)nn(C)c2n1 72479925 DLTGXSNBLGYCRR-HNNXBMFYSA-N 325.416 2.540 0 50 EFAA CCN(CCc1nccs1)C(=O)Cn1ccc(=O)c2ccccc21 131376716 GSLNICAVHTVNMH-UHFFFAOYSA-N 341.436 2.549 0 50 EFAA Cc1cccnc1OC1CCN(Cc2nnc(C(C)C)n2C)CC1 289461390 VYZJNLPKFABGBB-UHFFFAOYSA-N 329.448 2.685 0 50 EFAA O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)S(=O)(=O)CC2 178063365 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CCc1nnc(CN(CC)C(=O)Nc2ccnn2Cc2ccco2)o1 96138210 IDQUJVDACKKRMR-UHFFFAOYSA-N 344.375 2.524 0 50 EFAA COC[C@]1(O)CCN(CC2=Cc3cccc(OC)c3OC2)CC1(C)C 91848977 MUGXIIDZXWISOA-HXUWFJFHSA-N 347.455 2.580 0 50 EFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NC3(C(N)=O)CCCC3)c2c1 91416912 OXQYXPLUCHMMMS-UHFFFAOYSA-N 327.428 2.550 0 50 EFAA CCSc1nc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cs1 95524773 BWWBPRWOHPDLLY-LLVKDONJSA-N 336.486 2.927 0 50 EFAA O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)NCC1CCCCC1 244678686 IIIMHLWUZMGQPM-UHFFFAOYSA-N 348.462 2.806 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)NC[C@H]1CCOc2ccccc21 184520568 INUCWOMVACFDQE-CYBMUJFWSA-N 335.400 2.979 0 50 EFAA CN(C)/C=C1\CCC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc21 29763256 MXRJIWWSIBOVRV-ACCUITESSA-N 338.363 2.771 0 50 EFAA CCCc1cc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)nc(C)n1 534576169 XCDNKGDGFCGMQK-QGZVFWFLSA-N 325.412 2.923 0 50 EFAA CCCOc1ccc(C(=O)N[C@H]2CN(CC)C[C@@H]2OC)cc1Cl 534639412 HWZWIEIVEQSHIL-HOCLYGCPSA-N 340.851 2.578 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3ccc(C)cc3)cc2C1 299793408 HZMRFWDFNZLDTB-UHFFFAOYSA-N 326.444 2.737 0 50 EFAA Cc1nc([C@H](C)NC(=O)Nc2ccccc2OC(F)(F)F)n[nH]1 299761889 BDOBOBMBSDDVSX-ZETCQYMHSA-N 329.282 2.894 0 50 EFAA Cc1cc(NC(=O)NCc2cnn3cccnc23)n([C@@H](C)C2CC2)n1 299783777 WWWJLRJOLHXYHX-LBPRGKRZSA-N 339.403 2.527 0 50 EFAA CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CCCc3ccccc32)c1CC 268543248 DSRXLJSPLHFRFR-INIZCTEOSA-N 339.439 2.631 0 50 EFAA Cc1ccc(F)c(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1F 828248112 NBSWVUINZMUIME-GFCCVEGCSA-N 336.382 2.794 0 50 EFAA Cc1cc(C)c2c(CC(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)coc2c1C 825124530 KOHNNCBDUGEKBV-HZPDHXFCSA-N 340.423 2.837 0 50 EFAA Cc1cnc(CN(C)C(=O)NC[C@H]2CCCN(C3CCCCC3)C2)[nH]1 584886741 BCBMFBQIPYGJET-MRXNPFEDSA-N 347.507 2.904 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 269169613 HELZUUFKYZHKCJ-CQSZACIVSA-N 343.354 2.951 0 50 EFAA CCC(C)(C)c1noc([C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 867173141 SDFKHIFNORUPOT-ZIAGYGMSSA-N 333.432 2.666 0 50 EFAA Cc1ncccc1-c1nnc(CCN2CCN(c3ccccc3)CC2)o1 952988963 XOPOGMYUIWOIHX-UHFFFAOYSA-N 349.438 2.805 0 50 EFAA CCCNC(=O)CN1CCN(c2nc(Cl)cc3ccccc23)CC1 1875337006 NEBPNCVVOFGIJM-UHFFFAOYSA-N 346.862 2.536 0 50 EFAA CC(C)CNC(C)(C)c1cn(CCc2ccc3c(c2)CCO3)nn1 1875304526 MOTOASRBMPSNMT-UHFFFAOYSA-N 328.460 2.936 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccc(F)cc3)nn(C)c21 1875301714 QIGMPGFLBNMGDZ-NEPJUHHUSA-N 331.391 2.854 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1875304267 FUHNVXFBZFOLMK-JCGVRSQUSA-N 333.428 2.883 0 50 EFAA Cc1nc([C@@H]2CCCN2CC(=O)N2CCc3sccc3C2)[nH]c1C 1875281842 ZZVQTKQJINBPOH-HNNXBMFYSA-N 344.484 2.810 0 50 EFAA COc1ccc(OC)c(-c2ccc([C@H](O)CN3CCOCC3)cc2)c1 952981215 MJRAFVMAMJELKD-LJQANCHMSA-N 343.423 2.736 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1cc2n(n1)CCC2 886094904 GYDCYXBSRUVDJX-PEELUZDISA-N 343.475 2.608 0 50 EFAA Cc1nc(CNc2cccc3c2CCN3S(C)(=O)=O)sc1C 893564772 GTBCAQTUNKSDSY-UHFFFAOYSA-N 337.470 2.694 0 50 EFAA COc1ccc2ccc(N3CCN(c4ccnc(C)n4)CC3)nc2c1 893172719 IJOAKSSZIOYDJG-UHFFFAOYSA-N 335.411 2.668 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCNC(=O)[C@H]1c1cccs1 892101748 NQTWRCGQJQZGJE-MRXNPFEDSA-N 332.473 2.815 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)NCc1ncoc1C 133475810 ZNDLEDSPXOGWFM-UHFFFAOYSA-N 345.218 2.532 0 50 EFAA Cc1cccc(Cl)c1OCC(=O)N1CCC2(CCN(C)CC2)C1 1775988128 LJTUKHQWSWGXAK-UHFFFAOYSA-N 336.863 2.972 0 50 EFAA CCN1CCC(N(C)C(=O)Nc2cccc(NC(=O)OC)c2)CC1 1414395021 YURIOOMTLDWXII-UHFFFAOYSA-N 334.420 2.813 0 50 EFAA C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cc(C(F)(F)F)ncn2)n[nH]1 1776005634 MODRTAGTVMMOCM-NKWVEPMBSA-N 326.282 2.986 0 50 EFAA COc1ccc(O)c2nc(/C=C/c3c4c(nn3C)CCOC4)ccc12 899369423 XMMTVSFAGZLXPQ-GQCTYLIASA-N 337.379 2.926 0 50 EFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)nc2)C1 393351878 PFBYQUHHNITTSC-WPRPVWTQSA-N 341.255 2.595 0 50 EFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc2ccccc2nc1O 275662272 VBNBTVNSKCJECI-IRXDYDNUSA-N 338.411 2.684 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C2(O)CCCCC2)CC1 276132612 YLNIDFFSUGZSCP-GOSISDBHSA-N 345.487 2.590 0 50 EFAA C[C@H]1CCCCN1CCC1CCN(c2ncnc3[nH]ncc23)CC1 301658015 IQPZVXOTATYIOP-AWEZNQCLSA-N 328.464 2.834 0 50 EFAA CC(C)C[C@]1(c2nc(C3(c4ccncc4)CCC3)no2)CCNC1=O 632168941 DWJRJDSEQPYZRU-LJQANCHMSA-N 340.427 2.738 0 50 EFAA CSc1nc(C(=O)NCC2(O)CCCCCC2)c2ccccn12 170633129 VVBQDCBHZBQEKD-UHFFFAOYSA-N 333.457 2.871 0 50 EFAA CNC(=O)c1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2C)c1 171715300 VBPOTEMWLOWNAT-AWEZNQCLSA-N 337.423 2.875 0 50 EFAA COc1cc(C(=O)NCc2cn3c(n2)CCCC3)c2ccccc2n1 667986238 VFESBDFAXIIVQM-UHFFFAOYSA-N 336.395 2.706 0 50 EFAA Cc1cc(CN2CCN(c3ncnc4c(C)csc34)CC2)on1 189968877 WUCVFJADJMIHFC-UHFFFAOYSA-N 329.429 2.618 0 50 EFAA O=C([C@@H]1CC=CC[C@H]1c1nc(-c2cccs2)no1)N1CCOCC1 190129590 QMLGICGNJDUOBH-CHWSQXEVSA-N 345.424 2.707 0 50 EFAA Cc1ccnc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 190672117 VNWWSKMYDAFYFP-KRWDZBQOSA-N 339.443 2.771 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(Cc2cc(F)cc3cccnc23)CC1 192013713 HBEAKZRMXNBHJG-KRWDZBQOSA-N 345.418 2.745 0 50 EFAA CC(C)c1noc(CCCNC(=O)c2ccncc2C(F)(F)F)n1 193067311 HQNPDCVOJUIGSC-UHFFFAOYSA-N 342.321 2.969 0 50 EFAA Cc1nn(C)cc1CNC(=O)[C@H]1CCc2cc(Br)ccc21 648858863 SIAZQKILESYRNU-HNNXBMFYSA-N 348.244 2.837 0 50 EFAA O=C(CCS(=O)(=O)[C@@H]1CCCc2ccccc21)NC1CCCC1 194106828 CJNLRKBUTJBMGI-QGZVFWFLSA-N 335.469 2.928 0 50 EFAA CCn1ccc2c(CN3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cccc21 1529125954 DIKDAQDNEVTTSW-OXQOHEQNSA-N 338.455 2.728 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(C)s1 1704339216 FXGIAAJUKLEEIH-CABCVRRESA-N 329.487 2.681 0 50 EFAA Brc1cn2c(I)cnc2s1 214476816 IBRNMHJSSNBFEZ-UHFFFAOYSA-N 328.960 2.763 0 50 EFAA in-vitro CN1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1cccc(C(F)(F)F)c1 220247062 VICJBHAKGFNMOZ-HIFRSBDPSA-N 326.362 2.801 0 50 EFAA Cc1ccc2c(C(=O)NC[C@H]3CCN(C4CCCC4)C3)cnn2c1 1772708596 ISDPXYSNAHYBCY-OAHLLOKOSA-N 326.444 2.637 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)C1CCC1 14976097 YMSHDXGZDRLGBB-QGZVFWFLSA-N 338.411 2.602 0 50 EFAA Cc1ccc(COC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 16577999 VPHKNLQIZJDQIK-GOSISDBHSA-N 335.488 2.886 0 50 EFAA Cc1cc(-n2ccnc2-c2cc[nH]c(=N)c2)ccc1N1CCCC1=O 1857671145 PXTXOVVOUNIHEM-UHFFFAOYSA-N 333.395 2.782 0 50 EFAA Cc1nc(CC(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n[nH]1 1875243076 OTGCDUJWIVGUQA-JKSUJKDBSA-N 342.443 2.670 0 50 EFAA COc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)cc(OC)c1OC 1875243347 COQHHSDTENEDJP-OAHLLOKOSA-N 327.380 2.983 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 119120336 SWUCDKMLLILUFH-ZDUSSCGKSA-N 337.383 2.788 0 50 EFAA COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@H](C)N)C1 237108226 QVAIWNGNSYPSTM-STQMWFEESA-N 340.851 2.565 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 242346849 ZJPJKIJVVCVABG-AYOQOUSVSA-N 329.488 2.526 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)NC1CCC2(CC1)CC2(F)F 656729410 VORMJHDIQVARMC-UHFFFAOYSA-N 349.355 2.533 0 50 EFAA Cc1ccc(Cl)c(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 133009511 CZYDSOVMOMZWEJ-NSHDSACASA-N 341.820 2.607 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1cccc2ccc(OC)cc12 344669904 TXEAREZYWGGLOY-FUHWJXTLSA-N 343.423 2.653 0 50 EFAA CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccnc2C2CC2)C1 680190813 NHCVFEINQQYDNZ-HNNXBMFYSA-N 329.444 2.728 0 50 EFAA C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@H](c2nccn2C)C1 363444532 TYCDOYUNGMSPIU-ZFWWWQNUSA-N 330.407 2.689 0 50 EFAA O=C(O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 263152382 JAPYCFUYLWLWMT-WBVHZDCISA-N 342.395 2.510 0 50 EFAA CC1(C)CN(S(=O)(=O)c2cnc3[nH]cncc2-3)c2cc(F)ccc21 1212367251 HEIVZTXZONDDAZ-UHFFFAOYSA-N 346.387 2.535 0 50 EFAA CCO[C@@H](C(=O)N[C@@H](C(=O)O)c1cccc2ccccc12)C1CC1 910936639 OMXCMAWDQZUECS-IAGOWNOFSA-N 327.380 2.897 0 50 EFAA C[C@H]1CN(C(=O)C[C@H]2CC=CCC2)CCN1C(=O)c1cscn1 822249083 AXYRGGHJSGPDJS-KBPBESRZSA-N 333.457 2.562 0 50 EFAA O=C(c1cnc(CCC(F)(F)F)s1)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 824807433 NXAQKPLANFNTIF-OUAUKWLOSA-N 348.390 2.871 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O 830070258 OCGSCMONBSSPSJ-YSVLISHTSA-N 344.386 2.771 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3C[C@H](C)[C@@H](C(=O)O)C3)c2)cc1 832124599 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342.376 2.826 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(F)c1 182471 LBJKAKHZYGAXPM-UHFFFAOYSA-N 333.359 2.749 0 50 EFAA CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1 614833 HTOSIYAYELQBDY-UHFFFAOYSA-N 332.425 2.644 0 50 EFAA COC(=O)c1coc(CN2CCC3(CC2)OCCc2ccsc23)n1 2356144215 NGQNQDMJYMERMI-UHFFFAOYSA-N 348.424 2.587 0 50 EFAA CN(C(=O)CSc1nnc(-c2ccncc2)n1C)c1ccccc1 3578101 UXNFBCPGJWEYJO-UHFFFAOYSA-N 339.424 2.632 0 50 EFAA CC(C)(CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cccs1 172079437 FPPBOZPSVYARPF-GDBMZVCRSA-N 330.453 2.983 0 50 EFAA CCN(Cc1ccccc1OCCO)Cc1c(C)nn(CC)c1C 55211623 HVEAAKBDGDQFAE-UHFFFAOYSA-N 331.460 2.913 0 50 EFAA Cc1nccc(CNC(=O)N(C)[C@H]2CCCc3nc(C)sc32)n1 111835085 IALSQCMGSUEDJQ-AWEZNQCLSA-N 331.445 2.769 0 50 EFAA COc1ccc(C2(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)CC2)cc1 67695718 RVTMVRUFCIKRQN-CQSZACIVSA-N 325.412 2.856 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCN3CCC[C@H](C)C3)CC2)cc1 20600630 LKWOTSOHEJWLCI-SFHVURJKSA-N 329.488 2.766 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccccc3O)cnn2c1 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JENGJBWJGWGDBB-MRXNPFEDSA-N 342.443 2.516 0 50 EFAA Cc1ccc(NC(=O)CN2C(=O)OC3(CCCCC3)[C@@]2(C)O)cc1 1422283 DWHMTRCTVBQESY-QGZVFWFLSA-N 332.400 2.797 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 35840508 VHEIMYWBEICIIK-FQEVSTJZSA-N 348.450 2.768 0 50 EFAA CS(=O)(=O)Cc1cc(NC2CCCCC2)nc(-c2cccnc2)n1 5362081 ODOKZPGUEWYSFN-UHFFFAOYSA-N 346.456 2.828 0 50 EFAA COC(=O)c1c(NC(=S)NCc2cccnc2)sc2c1CCC2 6288195 MLLLZPHSKJQZRS-UHFFFAOYSA-N 347.465 2.905 0 50 EFAA Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 329855621 UDQNBVOJDVPRSM-LSDHHAIUSA-N 348.834 2.898 0 50 EFAA COCC1(CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCC1 253397056 GJIZUXGEFCVUKS-UHFFFAOYSA-N 331.416 2.900 0 50 EFAA Cc1nc2c(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cccc2o1 253421016 OKRSZZPNHOLRCH-SJCJKPOMSA-N 332.425 2.921 0 50 EFAA CSc1cccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1C 253417950 PEMLDTJELIYURC-XJKSGUPXSA-N 349.500 2.901 0 50 EFAA COc1ccc2c(c1)C=C(S(=O)(=O)N1CCC[C@]13CCOC3)CC2 366960529 HDCDXVBWAXTQBA-GOSISDBHSA-N 349.452 2.567 0 50 EFAA CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 489651718 QJCFPSGQLVMBMD-BRWVUGGUSA-N 332.469 2.750 0 50 EFAA COc1cc(OC)cc(N2CC[C@H](NC(=O)C3=CCCCC3)C2)c1 129161940 NRKDZTSHSNMENZ-HNNXBMFYSA-N 330.428 2.899 0 50 EFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cc(-c2ccccc2Cl)[nH]n1 129267612 FJOKEGMFEXNCJD-FOSCPWQOSA-N 330.819 2.743 0 50 EFAA CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088922 JUCCSQLTPWJTLG-ZDUSSCGKSA-N 328.412 2.664 0 50 EFAA CC[C@H](NC(=O)c1nnc2nc(C)cc(C)n12)c1nc(C)c(C)s1 219985312 SDZUJGRTHDQZAV-LBPRGKRZSA-N 344.444 2.696 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N(C)[C@H](C)C[S@@](C)=O)cc12 157245008 BENGWOZNZCASBK-STFLBKPXSA-N 341.502 2.597 0 50 EFAA C[C@H]1CN(Cc2ccn(CC(F)(F)F)n2)CCN(C2CCC2)C1 451052906 GCAIRDDLQWKJBO-ZDUSSCGKSA-N 330.398 2.752 0 50 EFAA CC[C@@H]1CN(C(=O)c2cc(C)c[nH]2)CCC(=O)N1Cc1ccccc1 71759571 MVTQGRRCGFPGCT-QGZVFWFLSA-N 339.439 2.976 0 50 EFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1-c1ccccc1)C2 71755298 HCVACCPVYZPPBO-UHFFFAOYSA-N 345.402 2.944 0 50 EFAA O=C(OC[C@@H]1CCCCN1C(=O)/C=C/c1cccnc1)N1CCCC1 376490331 YHMGUWPGAHFQKB-IJDCCNJMSA-N 343.427 2.708 0 50 EFAA O=C([C@H](F)CC1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1 241368021 MJJRKGQIRHVGLH-QZTJIDSGSA-N 340.483 2.866 0 50 EFAA Cc1cc(C)cc(-c2nnc(NC(=O)NCc3cnn(C)c3)s2)c1 131323355 XAWBDGYITOCJFP-UHFFFAOYSA-N 342.428 2.877 0 50 EFAA Cc1ccc(N2CCCN(c3cc(C(F)(F)F)ccn3)CC2)nn1 242197017 XHAVDQMGCOOEKC-UHFFFAOYSA-N 337.349 2.916 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)NCCc2ccc3ccccc3c2)C1 175325504 PGMJGVMDZGONBK-INIZCTEOSA-N 339.439 2.679 0 50 EFAA COc1ccc2[nH]cc(C3CCN(C(=O)c4cn(C)cn4)CC3)c2c1 178711738 KIYYLBIBQUYADO-UHFFFAOYSA-N 338.411 2.930 0 50 EFAA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2CCC[C@H]2C(N)=O)c1 223330039 GYFZMGAALAZRBL-FQEVSTJZSA-N 343.515 2.985 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2ccccc2OC(F)F)c1 41984632 XAQBPJIOJZJBJC-UHFFFAOYSA-N 345.309 2.824 0 50 EFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 47986819 NWNYYSURJHWTLR-UHFFFAOYSA-N 327.787 2.811 0 50 EFAA Cc1cnc(C)c(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 220450810 UJAGKRBELWLMGZ-UHFFFAOYSA-N 335.411 2.537 0 50 EFAA COc1ccc(CN(C)c2cc([C@H]3C[C@H](N)C3)ncn2)c2cccnc12 220645801 MHBNTIUWLOGQSJ-GASCZTMLSA-N 349.438 2.875 0 50 EFAA O=C(Nc1ccc(CN2CCCCCC2)cc1)[C@@]1(O)CCSC1 179675322 ZKNLXZZOBYLSQC-GOSISDBHSA-N 334.485 2.869 0 50 EFAA CCc1nccn1CCCNC(=O)[C@H]1CCOc2ccccc2C1 96141971 HKUDUASVSPRCMM-INIZCTEOSA-N 327.428 2.593 0 50 EFAA CCn1nnc(-c2cccc(NC(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)n1 426545464 ZRLJKWMRQIDWFU-GASCZTMLSA-N 338.415 2.790 0 50 EFAA COCCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 95355752 DNRUTMJUDXCUDR-LJQANCHMSA-N 342.483 2.894 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1 22591466 ZTHWQKUIIGODDC-MRXNPFEDSA-N 334.460 2.784 0 50 EFAA Cc1ncc(C(=O)NCCc2nc(-c3ccccn3)cs2)c(C)n1 180355489 UDTCWVZKTBNWAB-UHFFFAOYSA-N 339.424 2.584 0 50 EFAA O=C(NCCSc1ccccn1)[C@H]1CCCN(C2CCCC2)C1 95370309 MDPCDVAOEDDLIC-HNNXBMFYSA-N 333.501 2.945 0 50 EFAA CC(C)NC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91594556 AIRSPLRUQPTPFD-OAHLLOKOSA-N 327.432 2.624 0 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COc1cc2c(cc1CN1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)CCC2 299777971 LXTNHVQGOMSFRN-YZGWKJHDSA-N 331.456 2.688 0 50 EFAA O=C(C[C@H](c1ccccc1)c1ccco1)NCc1nnc2n1CCC2 827802468 NXRLDFCWYSXHCP-OAHLLOKOSA-N 336.395 2.656 0 50 EFAA CC(C)(O)CCc1ccc(-c2nc(-c3ccco3)nn2CCO)cc1 828778571 ZTPLQRFILVEDQP-UHFFFAOYSA-N 341.411 2.901 0 50 EFAA Cc1[nH]ccc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685943633 ZSFYMIXWFSDSQE-UGSOOPFHSA-N 326.400 2.777 0 50 EFAA Cc1[nH]c2ccc(CNC(=O)[C@@H]3CC[C@H](CCC(=O)O)O3)cc2c1C 872717061 TXTSASJUCLUFSZ-PBHICJAKSA-N 344.411 2.813 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)Nc1ccc(Cc2cc(C)nc(C)c2)cc1 1875292833 UQZBRQPYZACMPP-LJQANCHMSA-N 342.395 2.717 0 50 EFAA CC1(c2nocc2C(=O)N2CCCC[C@@H](C3CCOCC3)C2)COC1 1875369782 HDXLHARBZNMIPB-OAHLLOKOSA-N 348.443 2.631 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N(C)CC1(O)CCCCCC1 1875314641 KCMLSNASPYCYRU-KGLIPLIRSA-N 349.475 2.600 0 50 EFAA C[C@@]1(NC(=O)c2cc(-c3ccccc3O)[nH]n2)CCCC[C@@H]1C(=O)O 874962378 CSLLUZOJSBIRHG-KZULUSFZSA-N 343.383 2.546 0 50 EFAA COc1cccc(OC)c1OCCCCN1C=NC2=N[C@@H](C)CCN21 952993630 IWMZLKIVPCOOFD-AWEZNQCLSA-N 346.431 2.572 0 50 EFAA O=C([C@@H]1CC12CCC2)N1C[C@H]2C[C@@H](Nc3cc(F)ncn3)CC[C@H]2C1 1875408274 SCVURWYYZRKDMN-XGUBFFRZSA-N 344.434 2.845 0 50 EFAA CCC(=O)NCc1cn([C@H](C)c2ccc(C(F)(F)F)cc2)nn1 881287931 VAHZNHLRIFBFHC-SNVBAGLBSA-N 326.322 2.932 0 50 EFAA Cc1cc2nc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc(C)n2n1 952966129 HHCIEFTVEMQDKN-QGZVFWFLSA-N 336.395 2.560 0 50 EFAA CN(C)[C@@H](CNC(=O)c1ccc(CN2CCCC2)o1)c1ccco1 952986880 LPSLOPDANCESQL-HNNXBMFYSA-N 331.416 2.501 0 50 EFAA O=C(NCc1nnc([C@@H]2CCCOC2)o1)c1ccc(F)cc1Cl 886086679 YPVWIFUZJXIIHL-SECBINFHSA-N 339.754 2.686 0 50 EFAA CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1cnn(C)c1 885417777 WRLBDQXTIXHJOO-LJQANCHMSA-N 327.428 2.801 0 50 EFAA O=C(N[C@@H]1CCCSC1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 1775986862 LWYWACPJDRXKCZ-RHSMWYFYSA-N 342.468 2.962 0 50 EFAA Cn1nc(C(=O)N2CC[C@H](c3ccon3)C2)cc1-c1ccc(F)cc1 1775999894 XQZSGJWDIYOTAV-ZDUSSCGKSA-N 340.358 2.844 0 50 EFAA Cn1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC2CC2)cn1 1775994937 UJQMPFCWLYOTSK-IRXDYDNUSA-N 348.491 2.935 0 50 EFAA O[C@H]1CN(Cc2cccc3c2OCO3)CC[C@@H]1c1ccc(F)cc1 1565509076 RMVDZNXJDUKVEA-SJORKVTESA-N 329.371 2.905 0 50 EFAA CO[C@H](C)C1=NN(c2ccc(-c3ccc(Cl)s3)nn2)C(=O)C1 899353027 SYDJOLNMMGQMKR-MRVPVSSYSA-N 336.804 2.986 0 50 EFAA CCc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)nc(C)n1 272819151 DWKZEWAQNJFPAK-UHFFFAOYSA-N 326.448 2.835 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CCO1 275782439 CKZKMWHIWJNSOV-RDJZCZTQSA-N 331.391 2.528 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(c2ncc(Cl)cn2)C1 275852400 WYKJKODYAZRECZ-GFCCVEGCSA-N 337.880 2.853 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)CCO1 276162272 GCYHMEIKTWQSJM-FUHWJXTLSA-N 325.412 2.559 0 50 EFAA C[C@@]1(O)CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 170018029 IMOILNKGHVKWOQ-MRXNPFEDSA-N 336.844 2.989 0 50 EFAA Cc1noc(C)c1C(=O)O[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C 170592351 ZECHXXNWHWATTC-MKBNYLNASA-N 336.432 2.977 0 50 EFAA Cc1cc2c(N3CCC[C@@H]3CNC(=O)OC(C)(C)C)nccn2n1 170598884 FNIGNVSHOXEOAM-CYBMUJFWSA-N 331.420 2.531 0 50 EFAA CC1=C(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)SCCO1 281174859 JDBJCFFKHWIDKC-RISCZKNCSA-N 341.379 2.594 0 50 EFAA CN(C(=O)C1CC1)C1(c2ccccc2)CCN(C(=O)C2CC2)CC1 408516624 JZZHARVLCVHGQT-UHFFFAOYSA-N 326.440 2.783 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@@H]1C[C@@H]1c1ccco1)[C@@H]3C2 221355348 RXANDQJBEIHWCY-NQQUZMLWSA-N 349.452 2.750 0 50 EFAA O=C1NC[C@H]2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)CCN12 187452765 QWPWUBAEKJMRQY-LBPRGKRZSA-N 333.741 2.568 0 50 EFAA CC(C)(C)[C@@H](N)c1cn(Cc2ccc(Cl)cc2-n2cncn2)nn1 641166462 SKOXIVSPTJFFOR-HNNXBMFYSA-N 345.838 2.606 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 190672220 SVVBXLXQAUTQEB-KRWDZBQOSA-N 339.443 2.771 0 50 EFAA Cn1cnnc1C1CCN(Cc2ccc(Br)o2)CC1 191246544 IDROFLKCBUWTME-UHFFFAOYSA-N 325.210 2.550 0 50 EFAA Cc1cc(=O)n2nc(CN3CCc4cc(Cl)ccc4C3)sc2n1 192240840 MAJLXJMFTKOUGH-UHFFFAOYSA-N 346.843 2.671 0 50 EFAA CCC[C@]1(COC)CCCN1C(=O)N[C@@H](C)c1nnc2ccccn12 193455236 MBBAOUXQBCOSBH-KBXCAEBGSA-N 345.447 2.781 0 50 EFAA O=c1cc(CO)occ1OCc1c(F)cccc1Br 194651249 BXHVWPUJLYUKIS-UHFFFAOYSA-N 329.121 2.613 0 50 EFAA CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(F)F 194728803 WQSWBRNELGEFDK-UHFFFAOYSA-N 326.343 2.915 0 50 EFAA Cc1c(C(=O)NC2CC3(CCC3)C2)nnn1-c1ccc(F)c(F)c1 652968486 UAHIVZIOUZIHQS-UHFFFAOYSA-N 332.354 2.916 0 50 EFAA COc1ccc(C2CCN(C(=O)[C@H](N)c3ccccc3C)CC2)nc1 653179176 ZTKJZVHCUOQFFX-LJQANCHMSA-N 339.439 2.805 0 50 EFAA O=C(Nc1nc(-c2cccc(Cl)c2)cs1)[C@]1(O)CCCNC1 662471505 IBGUHXUQUHGDIT-HNNXBMFYSA-N 337.832 2.517 0 50 EFAA Cc1ncsc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1F 776656706 HDTDLYWSZPOXFZ-LLVKDONJSA-N 326.324 2.676 0 50 EFAA Cc1ccc(N2CCC(N3CCN4C(=O)OC[C@H]4C3)CC2)cc1Cl 1506431300 HMMDBKVRWZDULZ-MRXNPFEDSA-N 349.862 2.754 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(CCO)Cc3cnc(C)[nH]3)c2)n1 1704329038 RWSHOEDPRLTWNG-UHFFFAOYSA-N 339.443 2.515 0 50 EFAA Cc1noc(C)c1CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704332513 YVKHPPQXFQVQIG-UZLBHIALSA-N 337.423 2.875 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)Cc3cc(F)c(F)c(F)c3)C[C@@H]2CC1=O 1704340327 ZXJVVMBWQGDDSV-FRRDWIJNSA-N 326.362 2.793 0 50 EFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]4C[C@]4(C)C3)c2)on1 1775977505 JLSJWROTYVRKEA-RHSMWYFYSA-N 332.425 2.989 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cnccn1 11820696 FHMABZXAMIDSQG-UHFFFAOYSA-N 342.305 2.872 0 50 EFAA O=C1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2F)CCN1 12385593 QPKFBFBDNDSRLE-QGZVFWFLSA-N 340.398 2.696 0 50 EFAA COCCn1cnc2sc3c(c2c1=O)CC[C@@H](N(C)CC(C)C)C3 12456951 LTEIJQIJYZBZNE-CYBMUJFWSA-N 349.500 2.550 0 50 EFAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)c2cnsn2)C1 12572421 VFLDPOWWHVJOKW-VIFPVBQESA-N 337.351 2.551 0 50 EFAA O=C(Nc1nccs1)C1CCN(C(=O)c2cccc(F)c2)CC1 12863713 GBBMSUMCYULNBH-UHFFFAOYSA-N 333.388 2.773 0 50 EFAA CCCn1ncc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C 15071803 KUVIGYRRBXSXLN-GOSISDBHSA-N 344.434 2.631 0 50 EFAA O=C(CCCn1cccn1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857701365 PQLWQYOLVBPXEL-UHFFFAOYSA-N 349.438 2.681 0 50 EFAA Cn1nc(C(=O)O)nc1N1CCC[C@H](c2nc3ccccc3s2)C1 1857706265 NKDFKUUQDWOFOU-JTQLQIEISA-N 343.412 2.507 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)N(CCO)c1ccccc1 408514795 ZJMHJCLSZOKVFM-UHFFFAOYSA-N 341.816 2.536 0 50 EFAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(O)CCOC1 225811366 VCMKQUKWOHHOMD-CJNGLKHVSA-N 345.361 2.542 0 50 EFAA OC[C@@H](CNC1CCN(C2CC2)CC1)Cc1c(F)cccc1Cl 459435889 XOLJGQNIXQSQEV-CYBMUJFWSA-N 340.870 2.847 0 50 EFAA O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(CCCc1cccnc1)C2 247448050 YYJKVPWUKCOXSK-PXNSSMCTSA-N 338.407 2.577 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ncc(Br)cn2)C1 253394896 LSGSLDWHVDTMQP-QWHCGFSZSA-N 338.180 2.691 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)CC1 681941381 MKPMNOVKWGGDBG-CYBMUJFWSA-N 348.374 2.583 0 50 EFAA O=C(O)c1csc(CCNC(=O)[C@H]2CCCc3ccccc32)n1 261676618 HRXAZPHCBDNBEQ-ZDUSSCGKSA-N 330.409 2.620 0 50 EFAA O=C(O)c1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)n1 263527147 UNRZKMVUNFFHDZ-UHFFFAOYSA-N 349.793 2.895 0 50 EFAA O=C(c1cccnc1N1CCCC1)N1CC[C@@H](CN2CCCCC2)C1 266228256 NCYGZZVLZOZARN-KRWDZBQOSA-N 342.487 2.630 0 50 EFAA COc1ccc(C(=O)N[C@]2(c3ncc(C)[nH]3)CCOC2)cc1C1CC1 818666709 AEYPKPYTCNFUAR-LJQANCHMSA-N 341.411 2.650 0 50 EFAA Cc1cc(C)n2ncc(-c3noc(-c4cccc5nc(O)[nH]c45)n3)c2n1 904379535 IESWOAPAMJSGLN-UHFFFAOYSA-N 347.338 2.645 0 50 EFAA CCc1noc(C)c1C(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1253146645 BVCYACYGMWENQD-UHFFFAOYSA-N 340.339 2.682 0 50 EFAA CN(C[C@@H]1CCCN1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 2325786398 IKGXGVVCFLOLHP-INIZCTEOSA-N 334.423 2.850 0 50 EFAA O=C(NCc1cc2ccc(Cl)cc2[nH]1)N1Cc2ncnc(O)c2C1 2325878449 PRWBNCVXRPXBPD-UHFFFAOYSA-N 343.774 2.542 0 50 EFAA CN(C)S(=O)(=O)c1cnc(-c2cccc(Br)c2)s1 2325880239 ZUOIIXVSGRMNRX-UHFFFAOYSA-N 347.259 2.823 0 50 EFAA O=C(c1cc(Cl)no1)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1455316810 PDSZWOIFALJLRW-OAHLLOKOSA-N 346.749 2.978 0 50 EFAA Cn1c(COC(=O)Cc2cc(Cl)cc3c2OCC3)cnc1Cl 953088365 CMRRUYIOZNWNPN-UHFFFAOYSA-N 341.194 2.948 0 50 EFAA O=C(Nc1ccccc1Cl)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1050150 SNYKRLJKQASJLK-UONOGXRCSA-N 348.830 2.720 0 50 EFAA Cn1c2ccccc2c2nnc(SCCC(=O)N3CCCC3)nc21 2204975 NEEMIRRBBISTMQ-UHFFFAOYSA-N 341.440 2.621 0 50 EFAA COc1ccccc1OCCCN1CCC2(CC1)C[C@](C)(O)CCO2 2356160163 GGILWPWHCSMLRL-LJQANCHMSA-N 349.471 2.860 0 50 EFAA CCN(CC)CCNC(=O)C1CCN(Cc2sccc2C)CC1 2828182 UUKJZLSSISTWPJ-UHFFFAOYSA-N 337.533 2.727 0 50 EFAA Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(F)cc1 3520177 LBMHXQFBMIONQY-UHFFFAOYSA-N 346.387 2.623 0 50 EFAA CN1C(=O)[C@]2(OC[C@H](COc3ccc(Cl)cc3)O2)c2ccccc21 1063992 JPIUUDDEQIMAHV-KSSFIOAISA-N 345.782 2.964 0 50 EFAA c1cc(Cc2noc([C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)no1 225595406 JSIDLDGECJWQRT-CHWSQXEVSA-N 325.324 2.691 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)NC[C@H](O)c2ccccc2)c1 55414045 ISVOLFVDEZEJBK-SFHVURJKSA-N 340.423 2.818 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1ccc(-n3cccn3)cc1)C2 23340239 KUZSYCCXFIRHLA-KRWDZBQOSA-N 335.407 2.974 0 50 EFAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1Cl 101514015 WSWWFYFEDXGTDZ-DPDCMNJDSA-N 346.814 2.700 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1F 348270797 YPWUJQQVDIULFK-GDBMZVCRSA-N 333.334 2.922 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)NCc1nc(-c2cccnc2)no1 65454262 CWCBQONLYIUYML-CQSZACIVSA-N 334.379 2.868 0 50 EFAA Cc1ccc(CNC(=O)CCN2CC[C@H](n3nc(C)cc3C)C2)cc1 65393588 VZQADQMIWPRKTE-IBGZPJMESA-N 340.471 2.762 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)C[C@@H](C)O1 229779576 CMIKXTLAEMNMNL-JXXFODFXSA-N 342.483 2.889 0 50 EFAA CC[C@H](c1nc(C)nn1-c1ccc2c(c1)OCCO2)n1cccn1 63869415 LHQUGTOUZIKPLF-CQSZACIVSA-N 325.372 2.543 0 50 EFAA C[C@H](CNC(=O)c1c(Cl)c2ccccc2n1C)N1CCCCC1=O 332013698 XUWLABKRFGGLSX-GFCCVEGCSA-N 347.846 2.963 0 50 EFAA F[C@H]1C[C@@H](CNC2Cc3ccccc3C2)N(Cc2nccs2)C1 328647674 UEEMRRWPCFNMHH-RDJZCZTQSA-N 331.460 2.813 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNc3ncc(C(=N)O)cc3Cl)O2)n1 328612572 PFNIJCMARKGYHX-KOLCDFICSA-N 337.767 2.642 0 50 EFAA Cc1ccc2[nH]cc(C(=O)N3CCC4(CCOCC4)CC3)c(=O)c2c1 71735657 UBLGCWLRPQKJFY-UHFFFAOYSA-N 340.423 2.869 0 50 EFAA CCOc1ncccc1CNc1nc(C(C)C)nc2c1cnn2C 72160947 HPZAECHVPOLEBG-UHFFFAOYSA-N 326.404 2.893 0 50 EFAA Cc1ccc(CN(C(=O)[C@@H]2NCCc3[nH]cnc32)C2CCCC2)s1 72480672 HGYPGEDLGHQAHU-QGZVFWFLSA-N 344.484 2.938 0 50 EFAA CC(C)c1nccc(CN2CCN(CCOc3ccccc3)CC2)n1 72431574 VEFYAEVTGRMPSC-UHFFFAOYSA-N 340.471 2.797 0 50 EFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCOC[C@H](CO)C1 77506116 UTAKQCYXARDBKN-AWEZNQCLSA-N 329.371 2.574 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1c1nc(C2CCCCC2)ns1 333813056 GABCLVMREGTMPG-CYBMUJFWSA-N 343.518 2.989 0 50 EFAA O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H]2CNCCC[C@H]21 368446709 MBYFHBDMPJVPIT-IGCXZHCHSA-N 326.440 2.625 0 50 EFAA COCCC1(CN[C@H]2CCN(C(=O)c3ccncc3)C2)CCCCC1 368747056 WFVRNYBBKWPUKN-SFHVURJKSA-N 345.487 2.873 0 50 EFAA Cc1cn2c(n1)CN(C[C@H](O)COc1cccc3ccccc13)CC2 371702731 ZUNCTEAGMTVGMU-KRWDZBQOSA-N 337.423 2.600 0 50 EFAA COC(=O)c1cc(-c2ccccc2)nc2c(Br)cnn12 13645726 OVGGJSVVYAUGAT-UHFFFAOYSA-N 332.157 2.945 0 50 EFAA CC[C@H](CO)N(Cc1ccc(C)s1)C(=O)CCc1cnn(C)c1 216065795 NAISBJFDPNAKRR-OAHLLOKOSA-N 335.473 2.522 0 50 EFAA CSc1ncc(CNC(=O)CCc2c[nH]c3ccccc23)n1C 218784807 GPMVMGGTVWWZEV-UHFFFAOYSA-N 328.441 2.872 0 50 EFAA CCCc1cc(CNc2nccc(-c3cc(C(=O)O)ccn3)n2)on1 72407652 COFUVERVAYFOJU-UHFFFAOYSA-N 339.355 2.789 0 50 EFAA O=C1[C@H](NC2(c3cccc(Cl)c3)CC2)CCN1C1CCOCC1 377046779 NBWHNGUFNHPMFU-MRXNPFEDSA-N 334.847 2.699 0 50 EFAA O=C(N[C@H]1C=CCCC1)N1CCN(c2ncnc3ccsc23)CC1 158838808 WAQMCOZTPJYJBF-ZDUSSCGKSA-N 343.456 2.632 0 50 EFAA Cc1nnc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)s1 239667699 BRMKOCQUTURDEE-ZDUSSCGKSA-N 332.477 2.544 0 50 EFAA Cc1nn(C(C)C)cc1CN[C@@H](c1nccn1C)C1CCOCC1 284823095 VCERUGGJFCFXOD-QGZVFWFLSA-N 331.464 2.763 0 50 EFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2csnn2)C1 241368027 MJKUPOYQNKMJQT-GWCFXTLKSA-N 329.347 2.865 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@@H](c3nccs3)C2)cc1 241409076 NEKKTRGKFHUIME-CQSZACIVSA-N 338.454 2.515 0 50 EFAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 245862094 COMDHNOZCVWEMO-XDNAFOTISA-N 331.435 2.950 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)N(CC(F)(F)F)C1CCC1 175969176 RNYWMHHWCUZUQT-UHFFFAOYSA-N 328.290 2.538 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2coc(-c3c(F)cccc3F)n2)C1 263056056 AIXNMGCWJBOHKB-SECBINFHSA-N 336.294 2.557 0 50 EFAA C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F 132164200 ODUSMZGFXMYCJF-KOLCDFICSA-N 335.297 2.768 0 50 EFAA Cn1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)n1 82120948 LNZGTLBTMHCVLL-QGZVFWFLSA-N 349.438 2.685 0 50 EFAA Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1 178348372 CCLSMMNOWCNDIF-UYAOXDASSA-N 336.435 2.983 0 50 EFAA COc1cccc([C@H]2CCN(C(=O)CN3CCCCC3)C2)c1OC 220150226 XTXBULHZJZAOAI-HNNXBMFYSA-N 332.444 2.506 0 50 EFAA Cc1noc2ncnc(N[C@@H]3CCCN(C(=O)c4cccs4)C3)c12 91829889 KLTGZKJRWQKNLO-LLVKDONJSA-N 343.412 2.704 0 50 EFAA O=C(COc1ccc(F)cc1)N1CCC(Oc2cccnc2)CC1 90685965 JSJCPKQRZKWQIT-UHFFFAOYSA-N 330.359 2.670 0 50 EFAA CCc1nnc(-c2ccc(OC)c(NC(=O)NC[C@@H]3CCCO3)c2)o1 96165067 YLYYSWXKTUYTBR-LBPRGKRZSA-N 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336.457 2.856 0 50 EFAA Cc1cc(C(=O)NCCc2csc(-c3ncccn3)n2)c(C)o1 223886168 UQKCRVPNFQHZJS-UHFFFAOYSA-N 328.397 2.782 0 50 EFAA CC1=CCN(C(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)CC1 426373581 HEYFHTDQBIYTSN-UHFFFAOYSA-N 330.432 2.679 0 50 EFAA COCCn1cc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)cn1 289812555 LRAGHZQZGHSQSS-ZDUSSCGKSA-N 348.834 2.648 0 50 EFAA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1ccccn1)C2 221318115 KBYWGGKXLONDHE-FQEVSTJZSA-N 334.423 2.766 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1nccs1 426475307 BGNBVDFUNBCLPP-CQSZACIVSA-N 331.445 2.792 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 222266846 VJAGVYGZTAXZSN-LLVKDONJSA-N 329.787 2.653 0 50 EFAA O=C(NCCCc1ccco1)Nc1ccc(CN2CCOCC2)cc1 95518184 GCXIFNWNEYWRJG-UHFFFAOYSA-N 343.427 2.866 0 50 EFAA Cn1ncc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c(Cl)c1=O 267529855 VAUKFUXAFXLCCW-CMPLNLGQSA-N 339.848 2.588 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CC2(CO)CCC2)C1 91586013 VADCYWSYSLSSQC-IBGZPJMESA-N 345.439 2.749 0 50 EFAA 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COc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1F 188712990 AOFVDMTUVLGUBY-LLVKDONJSA-N 332.379 2.766 0 50 EFAA CC1(C)CN(C(=O)Nc2ccc(-n3cccn3)nc2)CC(C)(C)O1 189762755 OBEOKGCRHMZFLX-UHFFFAOYSA-N 329.404 2.689 0 50 EFAA CO[C@@]1(c2nnc(CN3CCCc4ccc(F)c(C)c43)o2)CCOC1 644279070 QEJDVGGEUVQFNX-SFHVURJKSA-N 347.390 2.732 0 50 EFAA O=C(c1ncc(F)cc1F)N1CCO[C@]2(CCc3ccccc32)C1 192190078 ARPOAGCWMJYMAW-GOSISDBHSA-N 330.334 2.674 0 50 EFAA CCOc1nc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)co1 681301341 HFXZFLQEQHSNKT-INIZCTEOSA-N 343.427 2.810 0 50 EFAA COc1c(C)cc([C@H](C(=O)O)N(C)Cc2nncn2C(C)C)cc1C 1506406920 PPUSRAQHEQYAIQ-MRXNPFEDSA-N 346.431 2.742 0 50 EFAA CCCc1nc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cs1 1529125947 CHLUBGOHSLHMHP-NVXWUHKLSA-N 346.452 2.670 0 50 EFAA CN(C)CCc1nnc(NC(=O)c2scc3c2CCCC3)s1 1529172928 SVNRAIPQDPIFEO-UHFFFAOYSA-N 336.486 2.835 0 50 EFAA C[C@]1(O)CCN(C(=O)c2ccc(CO)cc2)C[C@H]1Cc1ccccc1 215412643 QTEAHSQQFUXZRN-CTNGQTDRSA-N 339.435 2.635 0 50 EFAA O=C(c1cccc(OCCCCN2CCOCC2)c1)C1CCOCC1 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334.423 2.943 0 50 EFAA CCS[C@@H]1CCCCN(c2cc(-n3nc(C)cc3N)ncn2)C1 225474350 NNFNABOUQZBICI-CYBMUJFWSA-N 332.477 2.665 0 50 EFAA O=C(c1cccc2c1OCCO2)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225678134 VJSMLTUUCAIHAU-HOCLYGCPSA-N 343.354 2.545 0 50 EFAA O=C(NCC1(C2CC2)CC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 118987650 PRCQLCGPMUWBLB-KRWDZBQOSA-N 326.440 2.527 0 50 EFAA Cc1cnc(CCN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 124595818 KGIDLNDZEKZQHZ-IMJJTQAJSA-N 349.500 2.983 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 237432894 YIEQZQOFRINQMX-IAQYHMDHSA-N 326.400 2.566 0 50 EFAA C[C@](CO)(CNC(=O)CCOc1ccccc1)Cc1ccccc1 240412844 FOEULBUBIPMJFJ-HXUWFJFHSA-N 327.424 2.813 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(Cl)cc1 240412881 FOMPVXQJHNDITQ-WBVHZDCISA-N 340.851 2.974 0 50 EFAA O=C(O)c1ccc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)nc1 247359770 DRFQBCSVEJJPEL-WMZOPIPTSA-N 337.423 2.881 0 50 EFAA CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 248008892 BJTQOWODOLCRTM-DJIMGWMZSA-N 343.402 2.897 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1nc(N(C)C)no1 359003013 SXCLPDFTINABGX-SNVBAGLBSA-N 337.811 2.692 0 50 EFAA CSCc1cc(F)ccc1CNC(=O)N[C@@H]1CCc2[nH]ncc2C1 152145005 VKZDOMSELAPOLZ-OAHLLOKOSA-N 348.447 2.769 0 50 EFAA CCOc1cc(Cl)ccc1CNC(=O)N1CCN2CCC1CC2 367081134 RBURGALOLGBIAR-UHFFFAOYSA-N 337.851 2.728 0 50 EFAA Cc1nc(C2(NC(=O)CCc3ccccc3C(=O)O)CCCC2)no1 262171956 LNYURZDCAKTFNW-UHFFFAOYSA-N 343.383 2.595 0 50 EFAA CC(=O)N(C)Cc1cn([C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 900537718 RLWISAZLXOEQRX-JTQLQIEISA-N 326.322 2.885 0 50 EFAA O=C(O)c1ccc(CN2CCOC[C@H]2CC2CCOCC2)cc1F 903961098 LBIAQKFJXTWMMH-OAHLLOKOSA-N 337.391 2.541 0 50 EFAA CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCC(=O)N1C 905988499 KCFLGWSYXCWJLS-ZDUSSCGKSA-N 329.227 2.963 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(C[C@H]3CCCCO3)CC2)n1 931842710 MCPHDPXELRBEIE-KURKYZTESA-N 349.475 2.922 0 50 EFAA Cc1cc(NC(=O)[C@H]2OCCO[C@H]2C)nn1-c1cccc(Cl)c1 935267787 MLGXXJFHUPBCHN-NHYWBVRUSA-N 335.791 2.577 0 50 EFAA CO[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)C1 2325760311 DFYHZDVZNHZPJY-UOVPBQLFSA-N 344.455 2.622 0 50 EFAA C[C@@H]1C[C@H](CS(=O)(=O)N2CC=C(c3ccccc3F)C2)CCO1 2325776280 KNTARPAREUVMHT-ZIAGYGMSSA-N 339.432 2.670 0 50 EFAA CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c(Br)s1 2325803506 LEFCQBJAERFVQL-BQBZGAKWSA-N 335.654 2.693 0 50 EFAA CSCCc1nc(-c2cc(C3CCCC3)n(C)n2)n(CCCO)n1 2325849287 KPRLRYZEKYZCES-UHFFFAOYSA-N 349.504 2.624 0 50 EFAA O=C1Cc2c(cccc2C(=O)OCc2ccc(-n3ccnc3)cc2)N1 2325879861 KMTWMFUXWQHEFK-UHFFFAOYSA-N 333.347 2.724 0 50 EFAA CO[C@@H]1CCC[C@@H](NCCNc2nccc(C(F)(F)F)n2)CC1 885994041 BEZQKRYVBCYVLK-VXGBXAGGSA-N 332.370 2.845 0 50 EFAA COC(=O)c1cc(Br)ccc1NC(=O)c1ccncc1 137206 MNHJJOQJXJNONU-UHFFFAOYSA-N 335.157 2.883 0 50 EFAA NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 286174 RIMZPVJNHPZBPS-UHFFFAOYSA-N 331.294 2.879 0 50 EFAA O=C(O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NCc1ccccc1 399114 IUSLFTWXUDAXJI-LJQANCHMSA-N 335.407 2.717 0 50 EFAA CC(=O)Nc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 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CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CC2(C)C)cc1C 344185317 VEQBJEAGWNZNSH-GFCCVEGCSA-N 339.461 2.924 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 247322571 SSIBFSDACHPAHF-TUKIKUTGSA-N 326.362 2.877 0 50 EFAA O=C1C[C@H](c2ccc(-n3ccnc3)cc2)c2c(nc3ccccn23)CN1 65365963 HMJLUELSPZZLFK-MRXNPFEDSA-N 343.390 2.672 0 50 EFAA Cc1nc([C@H]2CCCNC2)cc(N(C)Cc2noc(C3CCC3)n2)n1 67894016 BQIPIFFZABBBAB-AWEZNQCLSA-N 342.447 2.539 0 50 EFAA CN1CCC[C@@H]1c1ccc(C(=O)Nc2c3c(nn2C)CCC3)s1 20638638 YMETUARBPCUASG-CYBMUJFWSA-N 330.457 2.989 0 50 EFAA COc1ccc([C@H](CN2CCN(C)CC2)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110702957 HHZCNLRYMLTICT-YRLHULLVSA-N 343.515 2.762 0 50 EFAA COCc1cccc(NC(=O)N2CCc3ccccc3[C@H]2CO)c1 119732470 CQRVDAAWKVIYHU-GOSISDBHSA-N 326.396 2.957 0 50 EFAA C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NC[C@@]1(O)CCSC1 229934773 YDKSOIJEUDNFAY-PJQXDXOGSA-N 338.448 2.616 0 50 EFAA O=C(CCn1cccn1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65384094 FYQBOXZUCOHGCE-VQTJNVASSA-N 349.434 2.803 0 50 EFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(-c2nnc(S)o2)cc1 230239038 GKQCRECKXDFSJR-BFHYXJOUSA-N 345.424 2.713 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)c3cn4ccsc4n3)cc2)no1 65509220 VNDNFWYIWFHBMB-UHFFFAOYSA-N 339.380 2.684 0 50 EFAA Cc1c(C(=O)N2CC[C@H](Oc3ccncc3)C2)c(O)nc2ccccc12 120883581 QWFUKWDUBBBFMN-HNNXBMFYSA-N 349.390 2.937 0 50 EFAA Cc1cc(OCC(=O)N2CC[S@@](=O)CC[C@H]2C)ccc1C(C)C 252506907 WDAPTZZCZRYXRJ-CMJOXMDJSA-N 337.485 2.867 0 50 EFAA CC[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 252506613 WBPNEIKPXCJOBE-AWEZNQCLSA-N 331.287 2.924 0 50 EFAA COc1cc2c(cc1OC)CN(Cc1ccc(C(=O)O)cc1)CC2 201020 OOVNDQXJKRGIFF-UHFFFAOYSA-N 327.380 2.960 0 50 EFAA O=P(O)(O)O[C@H]1C=Nc2ccc(Br)c(Cl)c21 409420681 UBURCTDECCGOTF-LURJTMIESA-N 326.470 2.969 0 50 EFAA CC(C)c1nc(NC[C@@H]2COc3ccccc3O2)c2cnn(C)c2n1 72159074 YVJWALPIDITSQD-GFCCVEGCSA-N 339.399 2.739 0 50 EFAA COc1ccccc1N1CCN(C(=O)CSCC2CC2)[C@H](C)C1 72428318 PQHXIFKMYVOJBV-CQSZACIVSA-N 334.485 2.876 0 50 EFAA COC(=O)c1cc(C)nc(NC[C@H](O)c2ccc(Cl)c(F)c2)n1 253425733 DTMDACUALARSRQ-ZDUSSCGKSA-N 339.754 2.510 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H]1[C@@H]1CCCO1 253420874 FFBQUCHQTLXGMO-CABCVRRESA-N 333.436 2.959 0 50 EFAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCC1CC1 154208413 VLPUSOGKCXYDIW-INIZCTEOSA-N 334.485 2.797 0 50 EFAA Cc1snnc1-c1nn2c(-c3cc(F)ccc3F)nnc2s1 65356339 DXZWMNYUERTHIE-UHFFFAOYSA-N 336.352 2.958 0 50 EFAA COC(=O)c1cc(NC(=O)N2CCC(N3CC=CC3)CC2)ccc1C 156124439 XFMXQFYKDDQZBZ-UHFFFAOYSA-N 343.427 2.650 0 50 EFAA CC(C)[C@H]1CN(CC2(C)CCN(C)CC2)CCC(=O)N1CC1CC1 71746548 RZDPOXTVWXAFTC-GOSISDBHSA-N 335.536 2.687 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)CCc1cc(Br)cs1 238063487 DZFAFWHVYUMRIH-JTQLQIEISA-N 332.219 2.519 0 50 EFAA O=C(O)C1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 238033849 VVCCGMDMOFYPLP-UHFFFAOYSA-N 334.759 2.932 0 50 EFAA COc1ccc(-n2ccnc2-c2nccn2CCn2cccn2)cc1 71757259 QMPKNDZJHCGXFB-UHFFFAOYSA-N 334.383 2.641 0 50 EFAA Cc1ccnc(CNC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)c1 452150275 NOFQOYSKFFHSOQ-INIZCTEOSA-N 347.422 2.527 0 50 EFAA CCN(Cc1cc2c(cc1OC)OCCCO2)[C@@H]1CCCC[C@H]1O 215681437 DQOONFGVEGBENW-HZPDHXFCSA-N 335.444 2.982 0 50 EFAA COc1ccc(OCC(=O)N2CCC(Cc3cccnc3)CC2)cc1 378417358 BMTPTVJSGOXFHV-UHFFFAOYSA-N 340.423 2.950 0 50 EFAA CC[C@@H]1CN(Cc2snnc2C)CCC(=O)N1Cc1ccccc1 71763080 GUUVMJZGSHGCFW-MRXNPFEDSA-N 344.484 2.860 0 50 EFAA Cc1nnc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)s1 242302210 YQMWUMFFWQHYNZ-CQSZACIVSA-N 342.468 2.963 0 50 EFAA COc1ccccc1CN(CCO)C(=O)c1ccc(C)nc1C1CC1 455986988 FBHZVBYOQMNWTN-UHFFFAOYSA-N 340.423 2.911 0 50 EFAA Cc1nc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c(C)o1 496200988 RNNQYESWPMJMRA-UHFFFAOYSA-N 349.431 2.765 0 50 EFAA Cc1nccn1-c1ccccc1CNC(=O)CN1CCCCCC1 223369561 SEUHDIMNJFPNFH-UHFFFAOYSA-N 326.444 2.673 0 50 EFAA O=C(CN1CCCCCCC1)N1CC(c2nc3ccccc3[nH]2)C1 221218717 VUIQWCYHRUIFKU-UHFFFAOYSA-N 326.444 2.755 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)C(=O)CC[C@@H](C)N1CCCC1 426584704 MYVFFSRKCVSYGH-CQSZACIVSA-N 334.464 2.950 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)Nc2cc3c(cc2OC)OCO3)C1 426489540 MJHTVAJHLLVXAT-GFCCVEGCSA-N 336.388 2.847 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)N(C)CCCOc2ccccc2F)n[nH]1 426531095 ZECJLOTWXAEXAA-CYBMUJFWSA-N 348.422 2.899 0 50 EFAA Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1 426550060 PIKTWHXQZLDVLM-QGZVFWFLSA-N 337.423 2.927 0 50 EFAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)N1CC[C@H](N)C1 426513591 GXRVHAPYVNLZOW-AWEZNQCLSA-N 330.432 2.689 0 50 EFAA CCn1nc(C)c(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1C 292489917 WMCARXUNDVXPKV-NSHDSACASA-N 333.354 2.702 0 50 EFAA COc1ccccc1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 426504007 NSXCJNVOAICWDM-LSDHHAIUSA-N 331.412 2.902 0 50 EFAA Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1OCCN 426515831 ZWHTZSYQKFSEPP-UHFFFAOYSA-N 344.459 2.625 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C 91645834 GUYFFCLCQXNILP-BDJLRTHQSA-N 329.799 2.729 0 50 EFAA O=C(NCCCn1ncc2ccccc21)c1cc(=O)[nH]c2ccccc12 91645292 OACUNVZQHDWSDR-UHFFFAOYSA-N 346.390 2.698 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)c1ncoc1C1CC1)CC2 97463638 KDEJSTIOCRSQIC-UHFFFAOYSA-N 328.368 2.768 0 50 EFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccoc1)CC2 95391919 HPEDBCXIZVPNCT-QGZVFWFLSA-N 338.407 2.900 0 50 EFAA Cc1nccn1CC1CCN(CC(=O)NCC2CCCCC2)CC1 244774053 PNDGGERQSUCUCO-UHFFFAOYSA-N 332.492 2.600 0 50 EFAA O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)NCc1cccs1 244564059 CLVHBAPVIOBJDD-KRWDZBQOSA-N 348.443 2.967 0 50 EFAA Cn1cc([C@H](NC(=O)CCCc2ccc(F)cc2)[C@H]2C[C@@H](O)C2)cn1 243892965 AMUBAWRPOIWDRI-DKSSEZFCSA-N 345.418 2.510 0 50 EFAA COCc1noc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1 182356165 GVXZMLDCPYAPLM-GDBMZVCRSA-N 331.416 2.795 0 50 EFAA O=C1CCc2cc(C(=O)NCC3(c4ccccn4)CC3)c(F)cc2N1 183352052 ZWZFOVOTHDOYFB-UHFFFAOYSA-N 339.370 2.567 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCc3scnc3C)[C@H]2C1 299762914 WOMLFOCZGZQBOS-JLJPHGGASA-N 338.473 2.569 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3c(C)nc4ccccn34)[C@H]2C1 299783041 IIHMKVOONDJJNO-VDZJLULYSA-N 329.444 2.801 0 50 EFAA Cc1ccc(C(=O)Nc2ccccc2CN2CCCC2)c(=O)n1C 828161340 NURSLPGNHMNHIU-UHFFFAOYSA-N 325.412 2.542 0 50 EFAA Cc1nc([C@@H](C)NC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)n[nH]1 670443397 BKLCTXJOAYIVBV-GFCCVEGCSA-N 325.416 2.940 0 50 EFAA Cc1ncc(C(=O)Nc2cccc(Cn3cnnc3)c2)c(C2CC2)n1 1875259508 WPLYMXYLXZYOAB-UHFFFAOYSA-N 334.383 2.555 0 50 EFAA Cn1ccc2cccc(S(=O)(=O)Nc3cnc(C4CC4)nc3)c21 1875281090 OVDFNPUXVBQZPS-UHFFFAOYSA-N 328.397 2.647 0 50 EFAA C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(OCC(F)(F)F)nc2)C1 952884342 YILDLERAOPMTJR-LLVKDONJSA-N 340.349 2.940 0 50 EFAA C[C@]1(NC(=O)c2cc(-c3ccccc3O)[nH]n2)CCCC[C@@H]1C(=O)O 874962380 CSLLUZOJSBIRHG-XIKOKIGWSA-N 343.383 2.546 0 50 EFAA CCC(=O)N1C[C@@H](C)[C@@H](n2cc(-c3cccc(COC)c3)nn2)C1 1875323553 LTQQKSZGPVFWOP-DYVFJYSZSA-N 328.416 2.521 0 50 EFAA CCn1nc(CN[C@H]2CCO[C@@H]2c2cn(C)nc2C)c2ccccc21 886056864 ADUXPEDCFRYYEO-QFBILLFUSA-N 339.443 2.718 0 50 EFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccc(C)s3)C2)ccn1 886044993 UVPDQVZEKMRAQH-KRWDZBQOSA-N 345.468 2.741 0 50 EFAA Cc1ccc(OCCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c(C)c1 1775961070 GWJIRGGBILUSBI-AWEZNQCLSA-N 328.416 2.511 0 50 EFAA CN(CCc1cccs1)S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 1423767230 GOIFZWGHAHYBEX-UKRRQHHQSA-N 329.487 2.510 0 50 EFAA CO[C@@](C)(c1ccccc1)c1nc(-c2ccc(C)n(C)c2=O)no1 896227587 RWPZKKDBABFVGK-SFHVURJKSA-N 325.368 2.654 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C)oc2C)c(C)o1 1395448078 OJXXNIFEZRKPLQ-AWEZNQCLSA-N 330.384 2.751 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN(C[C@H](O)Cc3ccccc3)C1)CCCC2 275298563 MQVAQBFDQCOEDK-RTBURBONSA-N 339.483 2.921 0 50 EFAA Cc1cscc1NC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 276108084 XIDAJSJFGJJIHG-CQSZACIVSA-N 347.444 2.518 0 50 EFAA O=C(OCc1ccc(-n2ccnc2)nc1)c1n[nH]c2c1CCCCC2 170608492 OGQXJCZMLPKHST-UHFFFAOYSA-N 337.383 2.616 0 50 EFAA Cc1cnc(N2CCC(C(=O)NCCCOC(C)C)CC2)s1 170614925 URTBFTLVZITAPU-UHFFFAOYSA-N 325.478 2.599 0 50 EFAA Cc1ccc(F)c(N2CCC[C@H](NC(=O)c3snnc3C)C2)c1 170606249 UXFRDRVJJAUKRE-LBPRGKRZSA-N 334.420 2.693 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)sc1C(=O)O 679399520 ATUUYSTXXZESIJ-VXGBXAGGSA-N 334.372 2.709 0 50 EFAA COCCn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1 190515147 ATYWDDPGOWNGJE-UHFFFAOYSA-N 336.395 2.768 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)c2ccccc21 739613837 CHQBYETVYDJTSM-ZDUSSCGKSA-N 335.319 2.565 0 50 EFAA CC(C)n1cnnc1[C@@H]1CCCN(c2cc(O)nc3cccnc23)C1 647868896 OXAOBFXMGTWZMQ-CYBMUJFWSA-N 338.415 2.892 0 50 EFAA Cc1ccc(CNc2ccc(C(=O)NCCO)c(Cl)c2)c(C)n1 194343774 CUVUJRXYJQCVSV-UHFFFAOYSA-N 333.819 2.686 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)c2ccn(C3CCCCC3)n2)cc1 796603790 GEFUYAVMOMCLQL-UHFFFAOYSA-N 347.440 2.815 0 50 EFAA O=C(c1cccnc1NCCN1CCc2ccccc21)N1CCCC1 1529119746 KSKMFIHRMOAYID-UHFFFAOYSA-N 336.439 2.792 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C)c4ncccc34)C[C@H]2O)n[nH]1 1529141462 DYTVLIJOMDUIFI-VQIMIIECSA-N 336.439 2.610 0 50 EFAA CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704343258 VMZWPRBWCUOCSS-MBNYWOFBSA-N 340.345 2.692 0 50 EFAA COc1cccc(OC)c1CN1CCC2(CC1)C[C@@](C)(O)CCO2 1704312023 XMQHWJOWPJLYBN-SFHVURJKSA-N 335.444 2.600 0 50 EFAA CO[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1Cc1cc(C)no1 1704335469 AJBLTAFIVSKJJN-ZBFHGGJFSA-N 340.383 2.727 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(C)c1 1704338134 MQHAMLSJFHFKTP-TZIWHRDSSA-N 344.499 2.541 0 50 EFAA Cc1ccc(OCCCn2cncn2)c(I)c1 5013448 SZJHUVGAJKOZIH-UHFFFAOYSA-N 343.168 2.660 0 50 EFAA O=C(CCc1cn2ccccc2n1)N1CCO[C@H](Cc2ccccc2)C1 11819284 MMJFJKVREXZYDR-LJQANCHMSA-N 349.434 2.737 0 50 EFAA OCC[C@H]1CN(Cc2cccc(O)c2)CCN1Cc1cccs1 19535594 UQDXFNAOYIBGLL-INIZCTEOSA-N 332.469 2.523 0 50 EFAA CN1c2cc(C(=O)NCCc3ccccc3)ccc2C(=O)N2CCC[C@H]21 169765889 TXFFRGWUTHPWIN-IBGZPJMESA-N 349.434 2.671 0 50 EFAA CC[C@@]1(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C[C@@H]2CC[C@H]1N2 1857669203 CDFLYNRTNFSCJY-YRISNDGFSA-N 348.450 2.907 0 50 EFAA CCN(CCNC(=O)[C@]1(C)CC12CCNCC2)c1cccc(C)c1 1857692437 DSUMLRYCZBUXIY-IBGZPJMESA-N 329.488 2.717 0 50 EFAA Fc1ccc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 225473062 WKUXYLDTZXOUIK-UONOGXRCSA-N 342.340 2.864 0 50 EFAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)s1 229968390 CFPBITGOQXUUAN-LNSITVRQSA-N 348.468 2.881 0 50 EFAA O=C(O)c1cccc(NS(=O)(=O)Cc2ccccc2Cl)c1 243075753 INUAYTYBEJILPT-UHFFFAOYSA-N 325.773 2.980 0 50 EFAA CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)CC2)ccc1F 246750252 LRGFDGUGLLGXDM-UMSPYCQHSA-N 328.409 2.641 0 50 EFAA Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(C(N)=O)cc2)n1 136930939 AGNVMMOZBAYHKR-KRWDZBQOSA-N 338.411 2.536 0 50 EFAA CCC1(CC)CCC(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 252478907 AXDDRBZBPSJATM-AWEZNQCLSA-N 330.494 2.564 0 50 EFAA Cc1nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]c1C 153202094 SKTVVOXFDPGPFR-UHFFFAOYSA-N 339.317 2.678 0 50 EFAA C[C@H]1C[C@H]1c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1 366630035 FIQUXIZHYXWAED-SMDDNHRTSA-N 348.424 2.906 0 50 EFAA O=C(Cc1ccc(OC(F)F)cc1)N1CC[C@]2(CCCOC2)C1 375279027 DTOZJQYGUPAMMB-QGZVFWFLSA-N 325.355 2.860 0 50 EFAA COc1ccc([C@H](NC(=O)c2oc(C3CC3)nc2C)C(=O)O)cc1F 262942570 GTIHKTMMONYKHW-ZDUSSCGKSA-N 348.330 2.564 0 50 EFAA CCOC(=O)N1CCC([C@@H](C)NC(=O)c2c[nH]c3nccc-3c2)CC1 496714900 JIURLVCWQSSPJO-GFCCVEGCSA-N 344.415 2.501 0 50 EFAA O=C1CC[C@H](c2noc(-c3cccc(Nc4nccs4)c3)n2)CN1 901964096 CQOHTRDANMWVEC-NSHDSACASA-N 341.396 2.930 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N1CCC(Cc2ccccc2Cl)CC1 902479768 REKPWGYTYPYSTH-QGZVFWFLSA-N 339.819 2.611 0 50 EFAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cncc(C(=O)O)c1 911583849 MCFMXGSKFHFXQN-MRXNPFEDSA-N 339.395 2.651 0 50 EFAA C[C@H](CNC(=O)c1cc(-c2ccccc2)ccn1)N1CCCCC1=O 935577090 HSKQNJTWQLJUEI-OAHLLOKOSA-N 337.423 2.879 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1cc(Br)cn1C(C)C 122633048 MZFJIUWNONKPKF-LBPRGKRZSA-N 328.254 2.656 0 50 EFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1cccnc1 2100483973 WBXPUVXQZCXVMM-FQEVSTJZSA-N 336.439 2.634 0 50 EFAA CN(C)S(=O)(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2O)c1 2325823259 LOVKDDDSHZIAMC-UHFFFAOYSA-N 346.330 2.723 0 50 EFAA CC(=O)NC[C@H]1CN(C(=O)c2ccc([C@@H]3CCC3(C)C)cc2)CCO1 2325849209 IQJJAYZMSYFZCP-ROUUACIJSA-N 344.455 2.567 0 50 EFAA Cc1nc(-c2cccc(NC(=O)C[C@H]3C(=O)Nc4ccccc43)c2)n[nH]1 122777550 NHGLYQQNDAEPPU-OAHLLOKOSA-N 347.378 2.845 0 50 EFAA COc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 390754 MPKRUCQTXHSTIN-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA COc1cccc(OC)c1-c1nn2c(-c3cccnc3)nnc2s1 524012 FSBXJBAHUVTITJ-UHFFFAOYSA-N 339.380 2.932 0 50 EFAA Cc1nc(C)c(C(=O)N=c2[nH][nH]c3nccc(-c4ccccc4)c23)[nH]1 2356163749 PQDBKKQPVDSARO-UHFFFAOYSA-N 332.367 2.639 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225539010 PSRSPTFCLIHLCE-FUHWJXTLSA-N 339.370 2.510 0 50 EFAA COC(=O)NCCCc1nc(CCn2ccc3ccccc32)no1 225604844 ZUTOQNPUEVBEJG-UHFFFAOYSA-N 328.372 2.556 0 50 EFAA NC[C@@H]1OCC[C@@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1 414638629 OIJVKGPQYSNAJV-ONGXEEELSA-N 331.269 2.726 0 50 EFAA CCCOc1ccc(C(=O)N2CCOCC2)cc1Br 8722931 LCGVSMOOKQUYRA-UHFFFAOYSA-N 328.206 2.710 0 50 EFAA Cc1cccc(N2CCN(CC[C@H](C)NC(=O)[C@H]3C[C@H]3C)CC2)c1 248089259 GFIKDDRHLPVQDY-AOIWGVFYSA-N 329.488 2.668 0 50 EFAA CCc1cccc(OCCCN(C)C(=O)[C@@H](NC(C)=O)C(C)C)c1 55413023 LBGXVCFKJISPQG-SFHVURJKSA-N 334.460 2.637 0 50 EFAA Cc1c(NCc2ccccn2)cccc1C(=O)N1CCCOCC1 55414313 DZDIFLOOYAVKOE-UHFFFAOYSA-N 325.412 2.865 0 50 EFAA CCC[C@@H]1CCCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12 67675044 ZGMUBTZROSVPKX-MRXNPFEDSA-N 343.475 2.976 0 50 EFAA CCNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 67562784 IWZMCUKGBZLEGV-GFCCVEGCSA-N 349.381 2.886 0 50 EFAA C[C@H]1Cc2cccc3c(O)c(C(=O)NCc4ccccc4)c(=O)n1c23 170624675 JSWJJWCCMCATNL-LBPRGKRZSA-N 334.375 2.754 0 50 EFAA O=C(CSc1nnc(S)s1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 121536966 ZZXOHKUZLXQZQW-NQBHXWOUSA-N 349.506 2.621 0 50 EFAA CCc1ncn(Cc2nc(-c3cc(OC)ccc3OC)oc2C)n1 67919602 HIGIKRPYLCNOEU-UHFFFAOYSA-N 328.372 2.869 0 50 EFAA Cc1cc(C[C@@H](C)Nc2nc(-c3ccccc3)nc3c2CCNC3)n[nH]1 67649546 UWJMBFQMXGWUSZ-CYBMUJFWSA-N 348.454 2.864 0 50 EFAA CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCC23CCC3)cc1 282258003 QUDSFKIXQFFIOI-KRWDZBQOSA-N 336.501 2.937 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)CN1CCc3ccccc31)OCO2 1017437 WUWRPTAJCRSNEH-UHFFFAOYSA-N 338.363 2.619 0 50 EFAA Cc1nc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)n(C)n1 253418870 BXBCEWFQPPOJGB-AWEZNQCLSA-N 342.447 2.569 0 50 EFAA O=C(c1ccco1)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 253425485 OBKQCTPSHDQFTF-UHFFFAOYSA-N 348.406 2.623 0 50 EFAA COCCCN1C(=O)CC[C@H]2CN(C3Cc4ccccc4C3)CC[C@H]21 72430802 YBAAGTKORGFODI-AZUAARDMSA-N 342.483 2.503 0 50 EFAA CCOc1ccccc1CN1CC[C@H](N(C)Cc2ncccn2)C1 328629759 IQFXCUVYHXYEBH-KRWDZBQOSA-N 326.444 2.582 0 50 EFAA Cn1cnnc1[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CCO1 328646180 SLUUWJLADVDOGG-ZDUSSCGKSA-N 327.215 2.695 0 50 EFAA O=C(CCn1ccc2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 8156857 PJFOZYYFMJQWHL-QGZVFWFLSA-N 336.391 2.844 0 50 EFAA biogenic Cc1cscc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 123889517 KOOJMGKJSAMQNC-MRXNPFEDSA-N 345.468 2.597 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@H]3CCc4cc(F)ccc43)C2)cn1 363352893 OYJCHYZOBCMHDF-UGSOOPFHSA-N 342.418 2.821 0 50 EFAA COC(=O)c1cc(N2CCC[C@H](COc3ccc(F)cc3)C2)ncn1 77427327 IINJQMWBAIUZDS-ZDUSSCGKSA-N 345.374 2.698 0 50 EFAA O=C(Nc1cnn(Cc2ccccc2)c1)N1CC[C@]2(CCOC2)C1 124619450 FVPTZMFFCUIYLU-SFHVURJKSA-N 326.400 2.576 0 50 EFAA COCC1=CCN([C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 367079503 GSFFZISPGQTLTJ-PMACEKPBSA-N 340.467 2.943 0 50 EFAA CC(C)c1nc(N[C@@H](C)c2nncn2C(C)C)c2cnn(C)c2n1 72129607 SYPPMSDYGUAVOL-NSHDSACASA-N 328.424 2.832 0 50 EFAA Cc1nc(N[C@H]2CCO[C@@H]2c2nccn2C)cc(-c2ccncc2)n1 370173410 NAUXKDPSSOUPSG-YOEHRIQHSA-N 336.399 2.523 0 50 EFAA C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)[C@H]1CCCN1C(=O)C1CC1 241784879 RXMDFUAXAHHPGT-UHOFOFEASA-N 332.469 2.854 0 50 EFAA CCC1(CC)[C@@H](NC(=O)Nc2ccc(C(F)(F)F)nn2)C[C@H]1OC 332932490 IERPRBMFJUSVFB-WDEREUQCSA-N 346.353 3.211 0 50 EFAA CC(C)n1cc([C@]2(O)CCN(C(=O)C=C3CCC(C)(C)CC3)C2)nn1 286393488 ZSEGAYFPICICIR-IBGZPJMESA-N 346.475 2.806 0 50 EFAA COc1cc(C)c(CN2CCN(CCCN(C)C)CC2)c(C)c1C 215825447 QGQHXQDBBLFJAS-UHFFFAOYSA-N 333.520 2.690 0 50 EFAA COc1ccc(OC)c2c1CN(C(=O)c1oc(C)cc1C)C[C@H]2O 175408208 XHCDKBNZGIYDFV-CYBMUJFWSA-N 331.368 2.603 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)NCCc1nc2ccccc2s1 129177214 JYKBMWSXTTYELU-UHFFFAOYSA-N 340.404 2.926 0 50 EFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 237935960 GFIYJGCHAJTQIN-GWCFXTLKSA-N 329.755 2.680 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCCSCC2)CC1 496551362 PYQBRLMUYLHAIM-KRWDZBQOSA-N 344.521 2.577 0 50 EFAA COCc1ccc(CN2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1 339201098 JCRWEBOGWLNQJL-HZPDHXFCSA-N 344.377 2.864 0 50 EFAA Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)nn1)C1CCOCC1 284529458 JVDSFHXJYIXYOT-CYBMUJFWSA-N 341.337 2.809 0 50 EFAA CCCc1cc(C(=O)NCc2nc(Cc3ccccc3)no2)no1 77407326 SWKKLRRLJBNZFB-UHFFFAOYSA-N 326.356 2.531 0 50 EFAA COc1ccc(C2(C(=O)N3CC[C@H](c4cnn(C)c4)C3)CCC2)cc1 341307379 KMZWZCUSDNQIIM-HNNXBMFYSA-N 339.439 2.867 0 50 EFAA Cc1cc(C)n(CCCC(=O)NC[C@@H]2OCCc3ccccc32)n1 221181635 VLMJPBIKZFWRKC-SFHVURJKSA-N 327.428 2.710 0 50 EFAA CO[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 177644838 YURLGLFHXDDHJO-LJQANCHMSA-N 339.439 2.550 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)c1n[nH]c2ccccc12 223057567 PSZURYJQARAKRS-UHFFFAOYSA-N 325.372 2.924 0 50 EFAA COC[C@@H]1CCCN1C(=O)Nc1cnn(Cc2ccccc2F)c1 426597217 LCLABRAPEDJGHU-HNNXBMFYSA-N 332.379 2.713 0 50 EFAA C[C@]1(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCCC[C@H]1O 178271101 KDFJZLACTPBTPF-NLWGTHIKSA-N 348.462 2.848 0 50 EFAA COc1cccc(C(=O)NCCc2nc3c(s2)CCC3)c1OC 222871132 NHGAVBIJDBPHOS-UHFFFAOYSA-N 332.425 2.622 0 50 EFAA CCN(CC)Cc1cc(C(=O)NCCc2nnc(C)s2)c(C)o1 221241203 JLUIYRCITKWPNG-UHFFFAOYSA-N 336.461 2.562 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c(C)c1 162017745 FCEUIUKQPRBZJD-WBVHZDCISA-N 345.443 2.824 0 50 EFAA Cc1nn(-c2ccccn2)c(C)c1CNC[C@@]1(O)CCCC1(C)C 292957866 LEOGAEUKKUNPCU-IBGZPJMESA-N 328.460 2.915 0 50 EFAA c1cc(CN(Cc2cnc(N3CCOCC3)s2)C2CC2)ccn1 97785188 BXRRQLYIEVZHCE-UHFFFAOYSA-N 330.457 2.539 0 50 EFAA CN1CC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3N(C)C)C2)C1 293469611 XGWGTKWTMWWSSM-KRWDZBQOSA-N 336.867 2.966 0 50 EFAA Cc1ncc(C(=O)NCC2CCN(Cc3cccs3)CC2)c(C)n1 180191295 HVBUXQQFIRQYLK-UHFFFAOYSA-N 344.484 2.797 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCCc2ccccc21 294268380 RQRBCMYAGMTWMG-SZMVWBNQSA-N 342.439 2.684 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1nccs1 162796320 JUAVRQFZHATYFN-CHWSQXEVSA-N 349.460 2.950 0 50 EFAA CC(C)c1cc(C(=O)N(C)Cc2cccnc2Cl)nc2ncnn12 91677996 BVOVKCNLAIHEDP-UHFFFAOYSA-N 344.806 2.568 0 50 EFAA O=C(O)[C@H](c1cccc(OCC(F)(F)F)c1)N1CCSCC1 95388389 OMPMNXGRCFYJKY-LBPRGKRZSA-N 335.347 2.802 0 50 EFAA O=C(c1ccc2c(c1)CCC2)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 92099894 MZZNNUYULXINQS-HNAYVOBHSA-N 348.450 2.706 0 50 EFAA COc1cc(OC)c(CN(C)Cc2csc(C)n2)c(C(=O)O)c1 97528983 CGCPUHHHAXUATF-UHFFFAOYSA-N 336.413 2.799 0 50 EFAA CSCC[C@@H](O)C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1 95388797 SJRXEYPQHMTVDC-OAHLLOKOSA-N 347.484 2.691 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccccn3)c(=O)[nH]2)cc1 91351230 VQZZHFXTLZYGHO-AWEZNQCLSA-N 348.406 2.974 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1nnc(-c2cccnc2)o1 244787547 PZENYJAIARMONI-UHFFFAOYSA-N 326.404 2.784 0 50 EFAA CN1CCCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 244873466 WQWIGBJYPYYLBY-HXUWFJFHSA-N 343.515 2.684 0 50 EFAA O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Cc2ccncc2)CC1 181958389 MMYNAUQUGKHBRF-UHFFFAOYSA-N 341.386 2.641 0 50 EFAA COc1ccc(F)cc1[C@@H](NC(=O)c1cc[nH]c1C)[C@H]1C[C@@H](O)C1 244884268 YIQJRQWIGPGKTF-PPHDSNJXSA-N 332.375 2.713 0 50 EFAA CC[C@](C)(CCNC(=O)Cn1ccccc1=O)c1ccccc1OC 534585961 UFIYVUYYALAXTE-HXUWFJFHSA-N 342.439 2.731 0 50 EFAA Cc1ccc(OCc2nc(CC(=O)N3CCC34COC4)cs2)cc1 643610793 DRMCEGWWCAWZAK-UHFFFAOYSA-N 344.436 2.574 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)n1 299793640 IIQIGJTXFXHEDV-ZDUSSCGKSA-N 329.404 2.779 0 50 EFAA O=C(c1c[nH]nc1[C@H]1CCCO1)N1CC(Cc2ccc(F)c(F)c2)C1 866462532 QDTWBBODHYKIQE-MRXNPFEDSA-N 347.365 2.854 0 50 EFAA C[C@@H]1[C@@H](OC(=O)[C@@H]2CCCN(c3cc(O)ncn3)C2)CCC[C@H]1C 1875356851 WBVSRVLOBCZBPU-BARDWOONSA-N 333.432 2.767 0 50 EFAA O=C1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@H](c2ccccc2)N1 1875266874 WQPCVXMEIMJIJW-CJNGLKHVSA-N 345.349 2.769 0 50 EFAA COc1cccc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c1F 952890677 GJHHQMRPAVZEAC-NEPJUHHUSA-N 333.363 2.667 0 50 EFAA COCCN1CCC[C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 952986887 BMCBIBHIAHZLQM-CCLIWJKGSA-N 349.519 2.613 0 50 EFAA CC(=O)CCCCS(=O)(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 1775987330 CSSDHIKKKNEMDJ-UHFFFAOYSA-N 349.456 2.598 0 50 EFAA CC[C@H](NC[C@](C)(O)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1775994777 CAZVFLLVBOLUCP-YEWWUXTCSA-N 326.481 2.773 0 50 EFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565508425 ZVMWPKJSNKVGSC-MJGOQNOKSA-N 339.487 2.785 0 50 EFAA CC(C)(C)OC(=O)N[C@](C)(CO)C(=O)Nc1cccc(C(F)F)c1 408522284 GTYYVVPRDSWQHZ-MRXNPFEDSA-N 344.358 2.838 0 50 EFAA O=C(C1CCN(Cc2ccccc2)CC1)N1CCO[C@H](C2CCC2)C1 412451165 WNUOFMOBNBIDIF-FQEVSTJZSA-N 342.483 2.926 0 50 EFAA Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2cnn(C)c2)cc1 170077840 RGFYSMLILFRJBN-ROUUACIJSA-N 347.484 2.603 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1 278368772 IBUHFNDSIOJZPA-SNVBAGLBSA-N 339.321 2.547 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1C 170593616 GGFXAXAEXFTHOO-OAHLLOKOSA-N 336.863 2.751 0 50 EFAA Cn1cc(CNc2cccc(S(N)(=O)=O)c2)c(C2CCCCC2)n1 170612323 JGHCAKLMGLDDHJ-UHFFFAOYSA-N 348.472 2.727 0 50 EFAA Cc1ccc2c(CCNC(=O)[C@@H](C)OC[C@H]3CCCO3)cn(C)c2c1 170602636 UUEPGRODDKVQOM-NVXWUHKLSA-N 344.455 2.730 0 50 EFAA CCOc1c(Cl)cc(CN2CCO[C@@]3(CCOC3)C2)cc1OC 187539406 NGIZHYVFMPRQMB-KRWDZBQOSA-N 341.835 2.739 0 50 EFAA C[C@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1ccccc1 675980324 ONPWZHPVVSYNJS-LJQANCHMSA-N 325.364 2.766 0 50 EFAA CC(C)n1cc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cn1 188537990 FGFZCWKHBAFEOS-IBGZPJMESA-N 325.412 2.778 0 50 EFAA CC(C)(C)OC(=O)NCc1nnnn1Cc1ccc(F)c(Cl)c1 189066693 SBVTUUZFAUHVPM-UHFFFAOYSA-N 341.774 2.539 0 50 EFAA Fc1ccccc1-n1ccc(CN2CCC(Cn3ccnn3)CC2)n1 189268228 NCBSMGQNFXBMTH-UHFFFAOYSA-N 340.406 2.515 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)N2CCCC[C@H](SC)C2)n1 189898556 HQVXBQUXDNUUEK-STQMWFEESA-N 326.466 2.840 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Nc2ccncc2)C1 190508793 BEHQQQHFJSJLKW-AWEZNQCLSA-N 345.472 2.832 0 50 EFAA CO[C@@](C)(C(=O)N1CCC(c2nc(C)no2)CC1)c1ccccc1F 192210124 QPZUAMCHIHHMNO-GOSISDBHSA-N 347.390 2.785 0 50 EFAA Cc1cccc([C@H](NC(=O)[C@H](C)c2c(C)noc2C)C(=O)O)c1C 653667364 LCTWSWRROMCOFX-BZNIZROVSA-N 330.384 2.954 0 50 EFAA COCC[C@H]1CCCCN(C(=O)Nc2cc(C)nnc2N(C)C)C1 667482987 VNEWPIAZJLEVSL-CQSZACIVSA-N 335.452 2.522 0 50 EFAA CCC(=O)N1CC[C@H](NCc2sc3nc(C)nc(C)c3c2C)C1 761990235 SFEXNDVDYLZTRF-ZDUSSCGKSA-N 332.473 2.717 0 50 EFAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772491836 UIMNEUMKZCLQFJ-PJBYUTDMSA-N 348.483 2.889 0 50 EFAA COc1c(F)cccc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775983582 ZYOLHNGJTQDJMS-GOSISDBHSA-N 329.375 2.678 0 50 EFAA COC(=O)c1cccc(NC(=O)[C@H](C)Sc2cc(C)ncn2)c1 12000602 OREMZOSWBCKJJG-NSHDSACASA-N 331.397 2.691 0 50 EFAA Cc1cc(CN2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)[nH]n1 12433389 QYUIQXOVNHMNFD-SFHVURJKSA-N 335.398 2.814 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 13745545 AJQRXCHMQOCLTN-ZDUSSCGKSA-N 336.457 2.988 0 50 EFAA CC(C)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 14963165 HMEZQZJOPDKRJC-ZDUSSCGKSA-N 337.851 2.900 0 50 EFAA Cc1ccc2[nH]c(C(=O)NC3(CCO)CC3)cc2c1Br 820434118 OEJCTCBWDUNYTG-UHFFFAOYSA-N 337.217 2.884 0 50 EFAA COc1ccc(-c2ccc(CNC(=O)C3(C(=O)O)CC3)cc2)cc1 118983607 NVACFUPWCHLTDB-UHFFFAOYSA-N 325.364 2.843 0 50 EFAA CCC1(O)CCN([C@H](C(=O)O)c2ccccc2Br)CC1 659787907 SLZWWPRRVSRAJS-ZDUSSCGKSA-N 342.233 2.812 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCC(C)(C)O2)CC1 345868283 NNNLHKVYBSNHKJ-KRWDZBQOSA-N 332.444 2.692 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 360441573 AHAFGSSGRIWLDN-UHFFFAOYSA-N 339.383 2.594 0 50 EFAA CCCc1cnc(C)nc1N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704325773 NIKOJIRHBGWGPU-IBGZPJMESA-N 338.459 2.594 0 50 EFAA COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1cc(C)cnc1O 912069485 RHPDMWWOYAMIHK-LLVKDONJSA-N 333.363 2.804 0 50 EFAA N[C@@H]1CCc2ccccc2N(Cc2csc(-c3ncccn3)n2)C1 2325756579 TWQJZLVORMMLMI-CQSZACIVSA-N 337.452 2.880 0 50 EFAA CN(C)c1nc(N2CC[C@@](N)(c3ccccc3)C2)nc2ccccc12 2325772647 KEIUZWLSUVETHI-FQEVSTJZSA-N 333.439 2.760 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccccc4F)on3)C[C@@H]2C1 2325791117 VOQSSDFGTRNTGB-RWMBFGLXSA-N 329.375 2.680 0 50 EFAA CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)cc1 303371 OBYWUJPYPDARAK-LJQANCHMSA-N 325.364 2.522 0 50 EFAA CN(C)C(=O)c1ccc(Nc2ccc(-n3cncn3)c(Cl)c2)nc1 2356142476 TWMCHERPXGIOOS-UHFFFAOYSA-N 342.790 2.761 0 50 EFAA Cc1noc(-c2ccnc(N3CCC[C@@]4(CCc5c[nH]nc54)C3)c2)n1 2356149411 YZJSWZFHZFFDJF-GOSISDBHSA-N 336.399 2.648 0 50 EFAA Cc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br 3003627 GVUMMKJZZLDOJB-UHFFFAOYSA-N 343.265 2.513 0 50 EFAA C[C@]1(C(=O)NCc2ccccn2)CC1(Br)Br 3880781 AOGDTMKPMKJMSU-SNVBAGLBSA-N 348.038 2.594 0 50 EFAA O=S(=O)(Nc1ccc(Br)cn1)c1ccc(F)c(F)c1 6706438 OPCPBMYCPGYVOF-UHFFFAOYSA-N 349.156 2.923 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)Nc3nc(C)n(C(C)C)n3)CC2)n1 23581629 PZAWCQNUPPOZNC-UHFFFAOYSA-N 345.451 2.583 0 50 EFAA Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)c2c(C)noc2n1 55696379 RQAHAHQCWDWNKZ-UHFFFAOYSA-N 347.378 2.955 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC[C@@H]2CCCO2)cc1 247716016 NFHCMNBHOYBOST-WIHIRCLASA-N 339.391 2.556 0 50 EFAA CS(=O)(=O)c1ccsc1NC(=O)[C@@H]1CCOc2ccccc21 135518502 PCBIEOBUXZXMAB-LLVKDONJSA-N 337.422 2.656 0 50 EFAA Cc1ccnn1CC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67692089 RSEHVEBAAMVECO-VQTJNVASSA-N 349.434 2.722 0 50 EFAA CN1CCN(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 22933454 WPMBQMUVGCLBDF-UHFFFAOYSA-N 345.531 2.670 0 50 EFAA CC(=O)NC[C@H]1CCCN(Cc2nn(C)c3cccc(Cl)c23)C1 67879450 YFXORHXLDHMOON-CYBMUJFWSA-N 334.851 2.575 0 50 EFAA CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 67338928 FHVNSCDVLYPDJG-UHFFFAOYSA-N 338.816 2.525 0 50 EFAA COc1cc(CN2CC[C@@](O)(c3ccccc3C)C2)cc2c1OCO2 215327343 DKAMILIJGCZFCI-FQEVSTJZSA-N 341.407 2.826 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)c1cccc(-n2cccn2)c1 77518882 ZBOIIUWEABHJFE-LJQANCHMSA-N 333.391 2.916 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)N=c1cc[nH]cc1F 328619107 FLSWXCHTMRJUSZ-NSHDSACASA-N 334.420 2.991 0 50 EFAA O=C(c1ccco1)N1CCC(Nc2cc(NCC3CC3)ncn2)CC1 253415441 CUMYSWHOWFSDOR-UHFFFAOYSA-N 341.415 2.608 0 50 EFAA C[C@@]1(C2CCN(c3ccnc(C(F)(F)F)c3)CC2)N=C(O)N=C1O 329215037 MBUIDFMGTAPNQC-AWEZNQCLSA-N 342.321 2.960 0 50 EFAA O=C1[C@@H]2C[C@@H]3C(=CS(=O)(=O)c4ccccc4)[C@@H]4C[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@@H]14 216485612 ZAPMCPUSTKKAOA-CMPXIRHJSA-N 326.417 2.691 0 50 EFAA O=C(c1ccccc1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72430398 YKTIZFFUHWZHCY-UHFFFAOYSA-N 343.354 2.964 0 50 EFAA Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@H]3Cn3cncn3)o2)c1 257365860 WMZXMRRBHIPLJO-ZBFHGGJFSA-N 338.415 2.862 0 50 EFAA C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1CCC(=O)N1 363714093 ZIWCZWRXVCLBFY-VMRPVKRXSA-N 348.446 2.870 0 50 EFAA C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H](c1ccccc1)N(C)C 487884743 LJMSOWNJGLEBEH-DJABAAGCSA-N 342.487 2.779 0 50 EFAA CC(C)[C@](C)(CO)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 378121472 UYOGJMDCLUFTHW-ICSRJNTNSA-N 347.503 2.605 0 50 EFAA CC1(C)CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC[S@]1=O 333667299 XNRDICNPUYNMBO-HSZRJFAPSA-N 349.378 2.865 0 50 EFAA COc1cccc2ccc(N3CCN(Cc4cccnc4)CC3)nc12 32520348 HIAIJFAJHQWEAV-UHFFFAOYSA-N 334.423 2.961 0 50 EFAA CCc1nc(C)c(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)s1 73305316 KCEPGRPPUMOKNK-UHFFFAOYSA-N 346.456 2.766 0 50 EFAA Cn1ccnc1[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 378366273 APRBPJSXMTZPAR-MRXNPFEDSA-N 339.374 2.927 0 50 EFAA COc1ccccc1-n1cc(C(=O)N2CCC3(CCCO3)CC2)cn1 71439668 YHTYYRYQOQUXAX-UHFFFAOYSA-N 341.411 2.666 0 50 EFAA CC(C)=CC(=O)NC[C@H]1CCN(Cc2cc3c(cc2C)OCO3)C1 71278781 ALXPKLJPKDPTOU-OAHLLOKOSA-N 330.428 2.628 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC(c3c[nH]nc3C)CC2)cc1 376421721 QUIWOHCWGXULQS-UHFFFAOYSA-N 333.457 2.896 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 238071673 GVTUGCIBAUTPDG-UPJWGTAASA-N 327.302 2.885 0 50 EFAA CC(C)CN(C(=O)CN1CCO[C@]2(CCc3ccccc32)C1)C1CC1 158802166 XGMZVNIFJRLPFD-OAQYLSRUSA-N 342.483 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CC(C)[C@H](CCO)NC(=O)c1ccc(NCCc2ccccn2)cc1 863948077 BRCYIIFNMQPBGY-IBGZPJMESA-N 341.455 2.873 0 50 EFAA CCOc1ccnc(N2CCCN(c3ccc(Cl)cn3)CC2)n1 268933519 CRJFXLSBWRKFPC-UHFFFAOYSA-N 333.823 2.640 0 50 EFAA COc1ccc2[nH]c(CNC(=O)c3ccccc3-n3cncn3)cc2c1 670458292 PKRLBRDVYMXITA-UHFFFAOYSA-N 347.378 2.687 0 50 EFAA CSc1nnc(Cn2c(-c3ccccc3Cl)noc2=O)s1 1875391567 CNXVAVTWWQAMFA-UHFFFAOYSA-N 340.817 2.778 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc(C3CCOCC3)c2)cn1 1875381270 PCIYYFHGYDTBSS-XMSQKQJNSA-N 327.428 2.577 0 50 EFAA CCCCOc1ccc(C(=O)NC2(C)CCS(=O)(=O)CC2)cc1 1875269796 GBVPQRRQNXGRAR-UHFFFAOYSA-N 339.457 2.563 0 50 EFAA CN(CC(=O)N1CCC[C@@](O)(c2ccccc2)C1)Cc1ccccc1 1875268659 IBXPOQABUHRAQZ-NRFANRHFSA-N 338.451 2.629 0 50 EFAA OC[C@@H]1C[C@H](N[C@H](c2ccc(F)cc2)c2cnn[nH]2)c2ccccc21 1875392843 WTCXRCYRXRNOHR-SOVGHPHASA-N 338.386 2.844 0 50 EFAA CNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)nc1 1875324182 LBBCIJULPDTCKE-UHFFFAOYSA-N 346.390 2.549 0 50 EFAA O=C(Nc1ccc2c(c1)C(F)(F)C(=O)N2)c1cccc2c1CCNC2 1875336528 AEJCOSZXQOJLHE-UHFFFAOYSA-N 343.333 2.629 0 50 EFAA Cc1ccc(SCCCN(C)C(=O)[C@H](C)Cn2cncn2)cc1 952976439 FRCYDCPROQHRIA-OAHLLOKOSA-N 332.473 2.863 0 50 EFAA O=C(NO[C@@H]1CCCCO1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 164984956 BSDQRSPCFBYXBX-RBSFLKMASA-N 340.807 2.927 0 50 EFAA O=C(N[C@@H](CCO)C1CCCC1)c1cc(F)ccc1-n1cccn1 889115083 DHKYBMXDYCJFKF-INIZCTEOSA-N 331.391 2.682 0 50 EFAA C[C@]1(C2CC2)COCCN1C(=O)c1cnc(-c2cccnc2)s1 890587850 LCPMKBFEPMEEGZ-QGZVFWFLSA-N 329.425 2.846 0 50 EFAA Cc1cncc(C(=O)N2CCCN(Cc3scnc3C)CC2)c1 980889590 ALDRXRPWXOPQBN-UHFFFAOYSA-N 330.457 2.503 0 50 EFAA Cc1cc(N2C[C@H](O)C[C@@H]2c2nnc(C)o2)c2cc(F)ccc2n1 1775957209 IXKKMBLISZOQMC-MLGOLLRUSA-N 328.347 2.686 0 50 EFAA COC(=O)c1nc(C)n2c1N(C(=O)Cc1ccccc1Cl)CCC2 1775987965 XELGBIIABQDEBU-UHFFFAOYSA-N 347.802 2.611 0 50 EFAA CCc1cc2c(N3CCN(c4ccnnc4)CC3)nc(C)nc2s1 895959817 IIGFOGPGWGCGNP-UHFFFAOYSA-N 340.456 2.679 0 50 EFAA 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Cn1cnc2cnc(N3CCC[C@@H](c4nc5ccccc5o4)C3)nc21 2100483295 KDORWNLWZVHOAI-GFCCVEGCSA-N 334.383 2.889 0 50 EFAA O=C(O)C1=C(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)CCC1 2325770570 ADTRYZSDNXHCKH-UHFFFAOYSA-N 325.368 2.504 0 50 EFAA OC[C@@]1(F)CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12CCC2 2325780748 MTRLPNFSPFABMN-SFHVURJKSA-N 344.365 2.941 0 50 EFAA O=C(c1cc(F)cc2cnccc12)N1CCC[C@@H]([C@@H]2CCCN2)C1 2325786326 CMVZXQPJNGJRIX-ACJLOTCBSA-N 327.403 2.978 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](c3cccc4ccccc34)C2)nn1CCN 2325798992 MTNVVLPZVPNTAN-QGZVFWFLSA-N 348.450 2.933 0 50 EFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCCO3)OC2=O 309249 DHFWDKOGDKMLNH-MSOLQXFVSA-N 331.368 2.518 0 50 EFAA COCCN1CCC[C@@]2(CCCN2CCCc2ccccc2)C1=O 2356148892 ZAXAXJMAIFQMSO-HXUWFJFHSA-N 330.472 2.723 0 50 EFAA COc1cc2oc(=O)c(CC(=O)N3CCCCC3)c(C)c2cc1OC 4742506 MQVFGKUFPWEIEY-UHFFFAOYSA-N 345.395 2.674 0 50 EFAA COC(=O)c1ccccc1NC(=O)C(C)(C)NC(=O)c1cccs1 4820271 HAWOBSRHDUKCPT-UHFFFAOYSA-N 346.408 2.682 0 50 EFAA COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6730698 BSXBZXFAHNLMGI-LBPRGKRZSA-N 334.397 2.904 0 50 EFAA Nc1nccc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 225415581 VIIUYDKQHIDYLG-OAHLLOKOSA-N 334.427 2.829 0 50 EFAA CCc1ccc(Br)cc1C(=O)N[C@H](CO)c1cccnc1 822972881 XRTOOMDQFSJSNA-OAHLLOKOSA-N 349.228 2.870 0 50 EFAA COCCN(Cc1ccc(-n2cncn2)cc1)Cc1cccs1 55414248 VWJYJNIZEGOSKE-UHFFFAOYSA-N 328.441 2.977 0 50 EFAA CCOc1cc(CNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)ccc1OC 247670998 ZJQBFZDIMJLBNC-WRFANHODSA-N 330.428 2.938 0 50 EFAA C[C@H]1CN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20726025 FBOZRYQGULRQCH-HYCCEDHASA-N 337.504 2.690 0 50 EFAA Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 55561935 YKCPEPSFHXLFHI-UHFFFAOYSA-N 327.403 2.895 0 50 EFAA Cc1cccc([C@H](C(=O)NCc2cnc3c(C)cccn23)N(C)C)c1 65490253 MYSQQUAJUJNSPU-GOSISDBHSA-N 336.439 2.870 0 50 EFAA CC(=O)NCCc1cn(Cc2nc(-c3ccccc3C)oc2C)cn1 67755568 RZEYABPAIDTQPS-UHFFFAOYSA-N 338.411 2.882 0 50 EFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N(C)Cc1ccc(C)o1 67446776 ORMURCZPUWEWRQ-HNNXBMFYSA-N 328.368 2.681 0 50 EFAA CCOc1ccc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1 204539 WHMAJUAHXIXTJL-CQSZACIVSA-N 334.269 2.506 0 50 EFAA Cc1cccnc1[C@H](O)C(=O)N(C)Cc1ccc(Br)cc1 328594469 MIRGNODDAWTERN-HNNXBMFYSA-N 349.228 2.845 0 50 EFAA CN1CC[C@@H](CNc2nccc(C(F)(F)F)n2)[C@@H]1c1cccnc1 328615593 AXZKBFTZECOGCS-JSGCOSHPSA-N 337.349 2.995 0 50 EFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc2ccccc2n1 328681553 COLCVQMMSZPIEO-ALOPSCKCSA-N 349.438 2.707 0 50 EFAA Nc1nccnc1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 124040499 GAPWQHZNHKACJW-JKSUJKDBSA-N 340.427 2.567 0 50 EFAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)Nc1ccon1 124104365 ZQZVUIJRJCZWLP-UHFFFAOYSA-N 334.763 2.505 0 50 EFAA O=C(NCc1ccc(Br)s1)N[C@H]1CCO[C@@H]1C1CC1 253415923 FJSRDHLMPNGZTB-CMPLNLGQSA-N 345.262 2.877 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 253604327 YPNVSKKXMKPOJZ-SZMVWBNQSA-N 339.439 2.995 0 50 EFAA Cc1cc(CO)oc1C(=O)N1CCN(c2cccc(C)c2C)CC1 282875009 DXSIHAJSJMAEAQ-UHFFFAOYSA-N 328.412 2.660 0 50 EFAA CC(=O)c1cccc(NC(=O)c2cnn(CCN3CCCCC3)c2)c1 365187185 ZABUOSMRWZGHMM-UHFFFAOYSA-N 340.427 2.824 0 50 EFAA CC(C)c1nc(N(C)C)nc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 333025040 AAXRVNZGXSAQOH-CABCVRRESA-N 345.491 2.847 0 50 EFAA Cc1nc(C)n(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)n1 72457415 BSWZTJQLDBRFIH-UHFFFAOYSA-N 341.440 2.677 0 50 EFAA CC1=NN(Cc2c(Cl)cccc2Cl)C(=O)[C@@H]1C(=O)NC1CC1 155570343 SKQDFHNKSIGSQZ-ZDUSSCGKSA-N 340.210 2.606 0 50 EFAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(CCOc2ccccc2F)C1 368807307 RNYCHPBBRUDKDQ-DZGCQCFKSA-N 347.390 2.927 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)N[C@H]3CCc4ccccc43)o2)no1 15073545 YRHSKPFEFPQJSJ-AWEZNQCLSA-N 338.367 2.769 0 50 EFAA O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@@H]1C=C[C@H](CO)C1 370063834 DZHZXNVKWDDMTM-NWDGAFQWSA-N 348.349 2.606 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 238066845 ONGMVRKTAMCPQI-GFCCVEGCSA-N 331.290 2.593 0 50 EFAA O=C(c1nc2ncccn2n1)N1CCCC[C@@H]1c1cccc(F)c1 215811256 BNDMWEFMOJFVOC-CQSZACIVSA-N 325.347 2.631 0 50 EFAA CC(C)(N)CN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72158419 UMIZZZOCDOTKOF-RCCFBDPRSA-N 335.442 2.564 0 50 EFAA COc1ccc(C[C@H]2CN(C(=O)c3cnn(C(C)C)c3)CCO2)cc1 71551663 GZTJBBGMTWZUPP-SFHVURJKSA-N 343.427 2.556 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c2nccc(C)c2c1 241121766 JDTFKUUKSLXUKX-ZIAGYGMSSA-N 330.453 2.833 0 50 EFAA COc1cc(N[C@H]2CCCN(C(=O)c3ccncc3)C2)cc(OC)c1 241132986 JNVDXHIFMGPKFS-HNNXBMFYSA-N 341.411 2.816 0 50 EFAA O=C([C@@H](F)CC1CCCCC1)N1CCC[C@@H](CN2CCOCC2)C1 241368022 MJJRKGQIRHVGLH-ROUUACIJSA-N 340.483 2.866 0 50 EFAA CCc1ccnc(CNC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 241383426 MVGSNPSAWDPWDJ-QZTJIDSGSA-N 343.402 2.801 0 50 EFAA CSc1cccc(C)c1NC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 241586396 OVRMMUXAZOBHST-NSHDSACASA-N 348.428 2.805 0 50 EFAA COc1ccc(CCC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)cc1 379242118 XIKHXWJRDJMCEI-TZMCWYRMSA-N 330.350 2.508 0 50 EFAA c1ccc(O[C@@H]2COCC[C@H]2NC2CCN(C3CCCC3)CC2)nc1 223062994 GQWBTQMAMMSOMJ-RTBURBONSA-N 345.487 2.615 0 50 EFAA O=C(Cc1ccc(F)cc1F)N1CCCN(Cc2cccnc2)CC1 221269425 YGHCBPOZUAVXHL-UHFFFAOYSA-N 345.393 2.637 0 50 EFAA O=C(NC[C@H]1CC12CCCCC2)N1CCN(c2ccncc2)CC1 426388016 STVFAHVYSSSAHW-MRXNPFEDSA-N 328.460 2.884 0 50 EFAA Cc1nc(Cl)ccc1C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 290932736 NOLSLWJLWJYNFE-QAPCUYQASA-N 330.815 2.939 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc3ccccc23)c2ccccc21 177474284 PJZJTKCGECEDTJ-CQSZACIVSA-N 334.331 2.769 0 50 EFAA Cc1ncc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c(=O)[nH]1 91677576 SGYFNKXRAFSSAQ-SFHVURJKSA-N 348.406 2.610 0 50 EFAA COCCN(Cc1ccc(C)s1)C(=O)Nc1cccn2cnnc12 96163221 PESGGEALLNNBHZ-UHFFFAOYSA-N 345.428 2.780 0 50 EFAA CCCn1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c(C)n1 91434686 DGTNQSZQTHZRCL-UHFFFAOYSA-N 340.471 2.602 0 50 EFAA Cc1c(C(=O)N2CCN[C@@H](c3ccccc3)C2)c2cc(O)ccc2n1C 97259200 NPZQCXNEUGCKPQ-GOSISDBHSA-N 349.434 2.979 0 50 EFAA O=C1CC[C@]2(CCCN(c3nccs3)C2)CN1Cc1ccccn1 91964897 NHVDKCZKERQJME-SFHVURJKSA-N 342.468 2.947 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCCCN2C)n1 95391080 PKOXGIJNYJKRQL-LBPRGKRZSA-N 344.381 2.685 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(CCc1ccccc1)C2 91769365 KUAQLPPOTMKDSJ-OAQYLSRUSA-N 342.483 2.723 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCCCO)C1 91893433 ZAFDIKWHVPZZAT-IBGZPJMESA-N 333.428 2.749 0 50 EFAA CNCc1nnc(SCC[C@@H]2CCOC2)n1-c1cccc(OC)c1 426389873 QEEBPDOVZXYBFJ-ZDUSSCGKSA-N 348.472 2.514 0 50 EFAA O=C(CCn1cc(Cl)cn1)NC[C@H]1CCOc2ccccc2C1 95383306 VZGWKGKBSNKORH-ZDUSSCGKSA-N 333.819 2.684 0 50 EFAA Cc1ncc(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)nc1C 91690837 HDAVFJVPAVJVNB-LJQANCHMSA-N 328.460 2.855 0 50 EFAA c1cc(-c2nc(-c3cn4ccccc4n3)no2)cc(-n2cnnc2)c1 96138439 FHMFKKYLTKRHSK-UHFFFAOYSA-N 329.323 2.632 0 50 EFAA CC1(C)CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 293865066 CHGDVITUWMRDGN-SWLSCSKDSA-N 341.498 2.873 0 50 EFAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCOC[C@H](CO)C1 96166935 GLGUSALIMXRNQW-AWEZNQCLSA-N 344.386 2.965 0 50 EFAA COc1ccc(CC(=O)N2CCC[C@](CO)(CC3CC3)C2)c(OC)c1 91707524 RCXWXDSPHPALTM-FQEVSTJZSA-N 347.455 2.648 0 50 EFAA CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@@H](O)CC(=O)[C@@]4(C)[C@@H](O)C[C@H]32)C1 257345878 MDAYVZVRLGMYGH-HAGAMTACSA-N 336.472 2.555 0 50 EFAA O=c1c(=Cc2cccc(F)c2)sc2nc(-c3cccs3)nn12 254614576 OAGHOMBUKXWKAF-UHFFFAOYSA-N 329.381 2.566 0 50 EFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1cc(OC)ncn1 184434092 NLJPIBZOPGDDNH-CQSZACIVSA-N 341.415 2.618 0 50 EFAA C[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1ccc2c(c1)CCCC2 534641431 IKZVYPLYFPHFAD-ZDUSSCGKSA-N 329.444 2.724 0 50 EFAA C[C@H](NC(=O)N1CCC(O)(c2cccnc2)CC1)C1=CCCCC1 534663915 AXWZIYJIGJVTAE-HNNXBMFYSA-N 329.444 2.964 0 50 EFAA O=C(C1CCN([C@@H]2CCSC2)CC1)N1CCc2ccccc2C1 355728266 FARLAXYZNKJNBQ-GOSISDBHSA-N 330.497 2.789 0 50 EFAA O=C(c1cccnc1O)N1CCC2(CC1)OCCc1ccsc12 352743788 KKUCUHSMIQQIKS-UHFFFAOYSA-N 330.409 2.553 0 50 EFAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCc1scnc1C 299801501 YULRPXYDAOGWHG-UHFFFAOYSA-N 346.456 2.826 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)n[nH]1 268413225 CYZGKQMFHVLZFI-NSHDSACASA-N 336.798 2.854 0 50 EFAA CCCn1cnnc1CNC(=O)c1ccc(N2CCCC2)c(Cl)c1 823031330 RFMDTZOJLKLGGF-UHFFFAOYSA-N 347.850 2.872 0 50 EFAA CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)NC1CCOCC1 864095462 MILCRDWJWYTDGT-OAHLLOKOSA-N 340.464 2.851 0 50 EFAA O=S(=O)(c1ccccc1)C1CC(N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1 864086956 MDFYDUQQXHWBRP-RLXHEGTKSA-N 335.469 2.539 0 50 EFAA C[C@H](N=c1cc[nH]c(-c2nccs2)n1)c1cc2n(n1)CCCC2 1875287140 WFVFEPJKAXNHPE-NSHDSACASA-N 326.429 2.728 0 50 EFAA Cc1cnc(C)c(N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)n1 952849320 AEGHNUZGUBNRRF-CABCVRRESA-N 326.448 2.965 0 50 EFAA CCc1nnc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C)o1 952852603 GHLCCZCCOGYHQB-FZMZJTMJSA-N 341.415 2.708 0 50 EFAA COc1cccc([C@@H](CC(=O)O)NC(=O)CCc2cnc(C)s2)c1 1875334675 YMLVWGBFUWJTCS-OAHLLOKOSA-N 348.424 2.725 0 50 EFAA C[C@]1(c2ccc(Nc3nccc(=N[C@@H]4CCNC4)[nH]3)cc2)CC1(F)F 1875329412 UXIQPYCMTWZPHN-RHSMWYFYSA-N 345.397 2.713 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2csc(N3CCCC3)n2)c1C 952967775 DFRNUUKKTLRUCW-UHFFFAOYSA-N 346.456 2.821 0 50 EFAA CCc1cnccc1[C@H](C)NC(=O)c1c[nH]nc1C1CCOCC1 886089135 ZLDUQKJWDWMEIJ-LBPRGKRZSA-N 328.416 2.752 0 50 EFAA CN1C(=O)C[C@@H](CNC(=O)c2ccoc2C2CC2)[C@@H]1c1ccncc1 886035961 VJKRBZYHXDZPSE-YOEHRIQHSA-N 339.395 2.501 0 50 EFAA CC(=O)N1C[C@@H](NCc2cnn(CC(C)C)c2)CC[C@@H]1C(F)(F)F 886038218 JRDLCXCZLQISRC-LSDHHAIUSA-N 346.397 2.571 0 50 EFAA O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNCc1cccc(-c2ccccn2)c1 888076256 PFIGGQYOQURFFP-ZHALLVOQSA-N 349.438 2.511 0 50 EFAA C[C@](O)(CNS(=O)(=O)c1cc2ccccc2o1)c1cccc(F)c1 1309877389 XNCXWWJZVQTNMX-KRWDZBQOSA-N 349.383 2.758 0 50 EFAA C[C@@H](CNC(=O)N[C@H]1C[C@@H](CO)C1)c1ccc(Br)cc1 897077826 JRISTQQWDVMWET-COPLHBTASA-N 341.249 2.623 0 50 EFAA CCC[C@H](CC)C(=O)N1CC[C@H](NC(=O)c2cncnc2C(C)C)C1 1386102154 UQHCAGLLJBPQQG-GJZGRUSLSA-N 346.475 2.757 0 50 EFAA COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)c1OC 1565516764 PCTRNHXGDDDRDQ-RDJZCZTQSA-N 349.427 2.574 0 50 EFAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)s1 408172141 SDKJEGJYFOBZQZ-NHYWBVRUSA-N 343.470 2.736 0 50 EFAA CCn1cc(C(=O)N[C@H]2CCCOC2)c(=O)c2cc(Cl)ccc21 170592850 DINJCAIJMUIQGI-LBPRGKRZSA-N 334.803 2.584 0 50 EFAA CCn1ccnc(NC(=O)c2cc(C)cc(Br)c2)c1=O 170596749 FHHKHNLXZVUQEA-UHFFFAOYSA-N 336.189 2.586 0 50 EFAA Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1CC(c2ccncc2)=NO1 170611210 CMVOMTHRLIFIMR-KRWDZBQOSA-N 347.378 2.707 0 50 EFAA C[C@@]1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOC1 280587549 NKILCEWQIYEMNX-LLVKDONJSA-N 328.192 2.590 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCCC[C@H]2CCCC(=O)O)cc1 656525329 VKKGPVYJKQJLKM-INIZCTEOSA-N 339.457 2.934 0 50 EFAA O[C@H](CSc1nnc2ccc(C(F)(F)F)cn12)C(F)(F)F 158061456 CODGYGAGCGUFMD-ZCFIWIBFSA-N 331.241 2.763 0 50 EFAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C1CC1 12590806 MLQLXWLUGACSQZ-UHFFFAOYSA-N 348.462 2.923 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@H]1CCOC1)C2 14997745 NPHLGXSFKQOXGD-GOEBONIOSA-N 338.407 2.513 0 50 EFAA CCN(CCc1ccccn1)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528631 ZKLLWRPTASKXKJ-OLZOCXBDSA-N 328.416 2.532 0 50 EFAA O=C(O)CC[C@H]1CC[C@@H](C(=O)NC2(c3ccccc3Cl)CC2)O1 1857530120 CDUMCXPMQFGGNN-RISCZKNCSA-N 337.803 2.858 0 50 EFAA Cn1cc(-c2ccnc(C=Cc3ccc(OCC(=O)O)cc3)n2)cn1 1857532987 ARQZSWLUDDCOMK-UHFFFAOYSA-N 336.351 2.511 0 50 EFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccccc1 1857671931 XNGCFOQUGBCKNL-NNMXDRDESA-N 348.446 2.707 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccn2nccc2c1 1857729984 LSPINYKMKUMKQA-KRWDZBQOSA-N 337.427 2.924 0 50 EFAA O=C(NCCNc1cccc(Br)c1)C1CCC(O)CC1 330989295 GZUATNLRFVSIID-UHFFFAOYSA-N 341.249 2.528 0 50 EFAA COc1cccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1F 646241263 VDYUMLJSPCIHAR-KRWDZBQOSA-N 342.414 2.768 0 50 EFAA Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]([C@H](C)O)C3)c2C)cc1 650528171 WKLHOCSDSZJWDW-GJZGRUSLSA-N 328.416 2.724 0 50 EFAA Cc1cc(C)nc(N2CCN(Cc3cccc(Cl)c3)C(=O)C2)n1 340052901 HROHEMQWKGLFLZ-UHFFFAOYSA-N 330.819 2.596 0 50 EFAA COc1ccc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F 245339054 QFJNPEUQNWGCFV-GOEBONIOSA-N 329.437 2.622 0 50 EFAA C[C@]1(C(F)F)CN(CCOc2ccc(C(=O)O)cc2Cl)CCO1 663315856 OYPYCOMJWGLXDI-OAHLLOKOSA-N 349.761 2.773 0 50 EFAA CCOC(=O)CC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 15442633 HSYRPXCJJXOCKE-UHFFFAOYSA-N 333.384 2.558 0 50 EFAA in-vitro Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCN(c2ccccc2)CC1 152916132 PRIDHJOTGPFZCP-AWEZNQCLSA-N 326.444 2.869 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc3c(c2)CCC3)C(=O)O)cc1 263145975 KSBGPHHNFOZWRQ-KRWDZBQOSA-N 325.364 2.740 0 50 EFAA O=C(Nc1ccccc1O)C1CCN(c2ncnc3[nH]ccc23)CC1 263815560 VRGUENVOPUGTEJ-UHFFFAOYSA-N 337.383 2.519 0 50 EFAA CC(C)Cn1cc(NS(=O)(=O)c2occc2Br)cn1 901895350 LANACDJYMPMYIF-UHFFFAOYSA-N 348.222 2.695 0 50 EFAA Cn1cnc2c(C(=O)N3CCCCC[C@H]3C(F)(F)F)ccnc21 906191046 HNFAWOOVXOCRBW-NSHDSACASA-N 326.322 2.915 0 50 EFAA Cc1ccccc1[C@@H](O)CNC(=O)C12CCC(C(=O)O)(CC1)CC2 911377431 ZTWQKAKNJVBILS-MNNVXMFVSA-N 331.412 2.570 0 50 EFAA Oc1cc(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)nc(C2CC2)n1 1262306659 QIMAKBDEZGMXNQ-LJQANCHMSA-N 347.422 2.930 0 50 EFAA CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)nc1)C1=CCCCC1 935450530 XXDFPLIDFZGYPO-UHFFFAOYSA-N 336.457 2.742 0 50 EFAA O=C(NCc1ncn(Cc2cccc(F)c2)n1)[C@@H]1CC[C@H]2C[C@H]2CC1 935545234 CAJQIIIGCJFDPG-MUJYYYPQSA-N 342.418 2.908 0 50 EFAA Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(O)nc2c1CCCC2 935793405 CWUKTBVGJVPXRT-QGZVFWFLSA-N 340.427 2.767 0 50 EFAA C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H](C)N1 153750391 IZMSAALUDPWRSA-TXEJJXNPSA-N 325.250 2.591 0 50 EFAA CCc1oc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)cc1CN1CCCC1 2100482536 GOGKOBHWLNUDHO-CTYIDZIISA-N 348.443 2.811 0 50 EFAA COc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2 2100548077 UAJSFESSFWHSOE-UHFFFAOYSA-N 338.367 2.984 0 50 EFAA C[C@H]1CCn2c(C(=O)N3C[C@@H](CCN)Cc4ccccc43)cnc2C1 2325798798 BBOYBYXHAVXWSA-GJZGRUSLSA-N 338.455 2.633 0 50 EFAA COC(=O)c1csc(N2CC[C@H](n3ncc4ccccc43)C2)n1 2325839407 RZCAGFYMVUMTSX-LBPRGKRZSA-N 328.397 2.731 0 50 EFAA Cc1ccc(N2CCC(NCc3cc(-c4cccnc4)n[nH]3)CC2)nc1 2325859061 MLMBUSVEROYXIR-UHFFFAOYSA-N 348.454 2.934 0 50 EFAA COCC1CN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)C1 887822396 OBAIQOCRRGMRPA-UHFFFAOYSA-N 343.383 2.993 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 47665 NYZICEOWTVRLKZ-UHFFFAOYSA-N 345.351 2.751 0 50 EFAA biogenic COc1ccc(S(=O)(=O)NCCC(C)C)cc1Br 611860 MMTAOZDQTOWVAD-UHFFFAOYSA-N 336.251 2.782 0 50 EFAA O=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1Cl 1846562 UOGOCJJHHNIZAV-UHFFFAOYSA-N 337.784 2.557 0 50 EFAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]12CCCNC2=O 2356143168 XEWMHQVQTPWUQW-FQEVSTJZSA-N 339.439 2.762 0 50 EFAA CC(C)c1ccc(CC(=O)N2CCC[C@@]23CCCN(C)C3=O)cc1 2356166775 MXGIOTMXDSFNAA-HXUWFJFHSA-N 328.456 2.966 0 50 EFAA C[C@@H](C(=O)O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4703673 OQLREDZXXMDXOE-LBPRGKRZSA-N 335.381 2.718 0 50 EFAA CCn1c(SCC(=O)NC2CC2)nnc1[C@@H](C)Oc1ccccc1 6731592 HBFVKTKGHFAFSC-GFCCVEGCSA-N 346.456 2.809 0 50 EFAA Cc1cc(C)c(CN2CCN(C(=O)C(C)(C)C)CC2)c(C)c1CO 55037152 ADCCNKWBUVRLFF-UHFFFAOYSA-N 332.488 2.794 0 50 EFAA CCOc1ccccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 20598872 QIMSFDIGKCGDEF-IBGZPJMESA-N 332.488 2.897 0 50 EFAA CC(C)CN1CCN(Cc2cccc3cnccc23)C[C@@H]1CCO 23374157 PZIXHVCAAHSZJY-IBGZPJMESA-N 327.472 2.759 0 50 EFAA O=C(NCCc1nc(-c2cccnc2)no1)c1cc2sccc2[nH]1 67833983 PUVNBNBSIZCHTO-UHFFFAOYSA-N 339.380 2.647 0 50 EFAA c1cnn(-c2ccc(N3CCC(NC[C@H]4CCCCO4)CC3)cc2)c1 23431378 UGAYYKMQHSCVPD-HXUWFJFHSA-N 340.471 3.000 0 50 EFAA CC(C)c1nc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)co1 67696111 ADCPJGDZLQBXEK-JKSUJKDBSA-N 344.411 2.877 0 50 EFAA COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(N)=O)c1 252485299 GQPVCGDRPFBEMP-QGZVFWFLSA-N 341.411 2.507 0 50 EFAA CC(C)n1ccnc1CN1CC[C@@H](CNC(=O)c2ccsc2)C1 67841794 XPNRLORLKUYMGQ-AWEZNQCLSA-N 332.473 2.777 0 50 EFAA COC(=O)c1cccc(OCc2noc([C@@H]3CCO[C@@H]3C(C)C)n2)c1 252498687 RIPMBYPZPQFZBB-GDBMZVCRSA-N 346.383 2.964 0 50 EFAA O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1ccccc1OC(F)F 121073727 IBLVNLQFFMQUEW-UHFFFAOYSA-N 331.282 2.720 0 50 EFAA O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1C=CS(=O)(=O)C1 67851185 PXSWQVMWVNRGDU-QGZVFWFLSA-N 341.432 2.636 0 50 EFAA Cc1ccc2[nH]c(CN3CCC[C@H](CNS(C)(=O)=O)C3)c(C)c2c1 67431817 YJTXQBCMLMIBOY-OAHLLOKOSA-N 349.500 2.546 0 50 EFAA Cc1ccnc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)O)CC2)n1 65394644 DJYFCVBDCZJYCD-UHFFFAOYSA-N 347.802 2.941 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1OC1CCCC1 331424970 UVHUYODKUVJZKA-KBPBESRZSA-N 337.391 2.562 0 50 EFAA CC(C)[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@H]1C)c1ccc(Cl)cc1 282347250 MPUOVSWTMLRURR-UGFHNGPFSA-N 337.851 2.861 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)C[C@@H](C)N1 153963788 YYBPASJOFAEZKV-TXEJJXNPSA-N 330.350 2.727 0 50 EFAA CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1Cn1cncn1 363527375 JWYOGEUYCQWGII-CYBMUJFWSA-N 333.367 2.512 0 50 EFAA C[C@@H]1N(C(=O)c2cccc(-c3nc[nH]n3)c2)CCC12CCOCC2 368214170 XSQIVKFGCDVNTR-ZDUSSCGKSA-N 326.400 2.503 0 50 EFAA CC(C)OC[C@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CCO1 372182507 VINYRJIQRIRGHP-MRXNPFEDSA-N 332.375 2.640 0 50 EFAA CC(C)CCNC(=O)C1(N2C[C@H](C)O[C@H](C)C2)Cc2ccccc2C1 72156885 IZZPNVYAKKBFAP-CALCHBBNSA-N 344.499 2.796 0 50 EFAA Cc1nc(-c2cnn(C)c2)oc1C(=O)N1c2ccccc2OC[C@H]1C 373581919 KAEHSSKVKGDKMZ-LLVKDONJSA-N 338.367 2.811 0 50 EFAA COC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN2c2ccccc2)c1 374400891 ICOXDWLPGFNVNQ-INIZCTEOSA-N 340.379 2.786 0 50 EFAA CS(=O)(=O)CCN1CC=C(c2ccccc2C(F)(F)F)CC1 127628966 MWOSIXYSKDJNQC-UHFFFAOYSA-N 333.375 2.839 0 50 EFAA CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 13331483 UNQSZEVFHUFLAL-UHFFFAOYSA-N 344.415 2.541 0 50 EFAA C[C@@H]1CN(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CC2(CCOCC2)O1 333368641 ZAPISXSOUNTAHJ-LTIDMASMSA-N 336.476 2.792 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@@H](c2nncn2C)C1 375122970 FBHRMHYZPYVMDB-CQSZACIVSA-N 338.411 2.818 0 50 EFAA O=C1CCc2cc(C(=O)N3CCO[C@@H](c4ccco4)C3)c(F)cc2N1 132133644 XZQQEOUCBVMOJX-MRXNPFEDSA-N 344.342 2.517 0 50 EFAA Cn1cccc1C(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 262951355 IJXYBVQAYUNJAX-UHFFFAOYSA-N 326.396 2.818 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@@H](C(=O)O)C1 237740509 DXTRONDOMWDIGI-CYBMUJFWSA-N 345.374 2.565 0 50 EFAA C[C@H]1CN(C2CCN(C(=O)CCc3ccsc3)CC2)C[C@@H](C)O1 72411619 YYXHEPGALZTLOY-GASCZTMLSA-N 336.501 2.781 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)N2CCN(C)CC2)cc1 72419542 CZLYHNORESSLOC-LJQANCHMSA-N 344.503 2.643 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N3C[C@@H](C(=O)O)CC[C@H]3C)cc2)n1 263140513 GRUXEDWERMNZEF-HIFRSBDPSA-N 327.384 2.506 0 50 EFAA NC(=O)c1cccc(C[C@@H]2CCN(c3noc(-c4ccccc4)n3)C2)c1 72157704 NAYDXHMIMGFUDS-HNNXBMFYSA-N 348.406 2.905 0 50 EFAA C[C@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@H]1N1CCOCC1 173826843 BKAWKEHLZRWHMQ-OXJNMPFZSA-N 338.451 2.561 0 50 EFAA COCCOc1ccc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(C)c1 242038556 VMBUISOCVJDJCP-HZPDHXFCSA-N 348.443 2.911 0 50 EFAA COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC=CCC2)c1 175296591 YWBFOLMGJKLYOR-JTQLQIEISA-N 346.246 2.845 0 50 EFAA O=C(NCc1ccc(Br)s1)N1CC[C@@]2(CCOC2)C1 176431413 ZYIJEPXRHNEQGF-CYBMUJFWSA-N 345.262 2.833 0 50 EFAA Cc1cc(C(=O)NCCc2nnc(C)s2)c2ccc(F)cc2n1 82108549 RMVFOHZGINJCCS-UHFFFAOYSA-N 330.388 2.815 0 50 EFAA CN(C)Cc1ccnc(NS(=O)(=O)c2ccc(C(F)F)cc2)c1 288566203 KGZGYJADNAOAHI-UHFFFAOYSA-N 341.383 2.882 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@H]3CCN(C4CCCCC4)C3)CC2)n1 177687790 FTTIBCGUHLUEIN-INIZCTEOSA-N 346.475 2.739 0 50 EFAA COc1cccc(C(=O)N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C 221361466 SBELPCQXGFLLNR-AWEZNQCLSA-N 332.444 2.723 0 50 EFAA Cn1ccc(NC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)n1 161750846 OCHLCFFYTSCXFL-JOCHJYFZSA-N 332.307 2.692 0 50 EFAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@H]1Cn1cccn1 426496698 NSVIIVPGFWAYHX-HNNXBMFYSA-N 330.436 2.974 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(CN)o1 237513342 MEWNMDJVWKUBLX-QAPCUYQASA-N 341.455 2.721 0 50 EFAA Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cnn(CC(F)F)c1 292717533 IKHXAECWBFDHJQ-UHFFFAOYSA-N 325.363 2.724 0 50 EFAA Cn1cccc1-c1cc(C(=O)NCc2ccc(-n3cccn3)cc2)[nH]n1 91724846 TYKWMZPEIJWTDH-UHFFFAOYSA-N 346.394 2.531 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(C)cc1)CC2 91594940 NPDSYJXWEKJMMG-UHFFFAOYSA-N 328.456 2.789 0 50 EFAA Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)cc1 293439251 OLPDOZQWIQZIOI-INIZCTEOSA-N 333.457 2.953 0 50 EFAA Cc1ccccc1C(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96140660 YINVAPSAIMNFMR-OAHLLOKOSA-N 341.411 2.902 0 50 EFAA CCCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1C 91518622 LTNXAYJKKWQVLL-ROUUACIJSA-N 338.455 2.700 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3cc(CC(C)C)no3)CC2)nc1 91486996 VANYUACMWNKNHK-UHFFFAOYSA-N 343.427 2.700 0 50 EFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@]2(CCOC2)C1 95360460 MODXYPNKXCQNJU-INIZCTEOSA-N 337.782 2.770 0 50 EFAA CCn1cnnc1CN(C)Cc1cccc(OCc2ccccn2)c1 97636546 KPGFDHVVEMYQCS-UHFFFAOYSA-N 337.427 2.904 0 50 EFAA O=C(C[C@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 362696983 GWUZVFZEAMUUBR-OAHLLOKOSA-N 336.863 2.847 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCC(Cc3nc(C)no3)CC2)s1 299787953 UYHOHNQEZDZJCK-UHFFFAOYSA-N 333.413 2.737 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cnn(-c3ccccc3F)c1)CC2 299774094 GIAYCJRQRLQFSS-ZYSHUDEJSA-N 345.418 2.516 0 50 EFAA COc1ccccc1-c1nc(COc2ccccc2)nn1CCCO 828754236 ZXSKBADIVULYOQ-UHFFFAOYSA-N 339.395 2.915 0 50 EFAA CCCCn1nc(-c2cccc3c2ccn3C)nc1CNC(C)=O 822888682 DSPVTYYGMQZNLH-UHFFFAOYSA-N 325.416 2.873 0 50 EFAA CC1(C)C(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)C1(C)C 828314947 FBMMGPKPKZSPKY-OAHLLOKOSA-N 347.434 2.690 0 50 EFAA CN(CCc1nc2ccc(F)cc2[nH]1)Cc1noc([C@H]2CCCO2)n1 670434007 QTGQZDMECCTVME-CQSZACIVSA-N 345.378 2.611 0 50 EFAA O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(C1CC1)C1COC1 1875274333 OLVKVSIFNHWFRE-UHFFFAOYSA-N 348.353 2.548 0 50 EFAA NC(=O)c1cc(F)cc(C(=O)N2CCCC[C@H]2c2cccc(O)c2)c1 1875302752 FRYFDPVZORFUFV-KRWDZBQOSA-N 342.370 2.998 0 50 EFAA COc1ccccc1[C@@H](NC(=O)Nc1nc(C2CC2)cs1)C(=O)O 1875354179 CDDZGJHBUPBHOV-CYBMUJFWSA-N 347.396 2.977 0 50 EFAA CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)NOC2CCC2)C1 952892700 IYPIWWBLZPQKRM-UHFFFAOYSA-N 346.362 2.643 0 50 EFAA Oc1nc2cc(Cl)ccc2cc1CNCCCN1CCC[C@@H](O)C1 952984363 ZXFHFHCZSZAZHE-MRXNPFEDSA-N 349.862 2.530 0 50 EFAA COc1ccc([C@H](C)NC[C@@H]2CCO[C@H]2c2ncc[nH]2)cc1OC 888078070 LFSGCJNRNGECSD-RVSPLBMKSA-N 331.416 2.855 0 50 EFAA Cc1cccc(-n2nnnc2SC[C@@H]2CCCc3nccn32)c1 1775989933 HFKVCITVVYAADE-AWEZNQCLSA-N 326.429 2.837 0 50 EFAA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cccc3cc[nH]c23)C1 1775957320 NLWUVSVKTJMHJL-CVEARBPZSA-N 337.427 2.668 0 50 EFAA Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1 96927312 RBAHIIPVJVMACF-UHFFFAOYSA-N 325.303 2.759 0 50 EFAA C[C@H]1CN(Cc2noc(C3CCOCC3)n2)c2cccc(F)c2O1 185986750 RZZWDQXJIKVQSI-NSHDSACASA-N 333.363 2.890 0 50 EFAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1ccc(F)cc1F 408473414 BOOZZCHRXQLYAT-IUODEOHRSA-N 331.366 2.749 0 50 EFAA CO[C@H](C1CC1)[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 408520740 VEFGNOKTXPYUCK-ZBEGNZNMSA-N 331.441 2.677 0 50 EFAA C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@@H]1CCCO1 222122019 SPGOURXTEYSXDI-OSMBCOQSSA-N 336.407 2.913 0 50 EFAA Cc1nc(C[S@](=O)Cc2nccn2Cc2ccccc2)oc1C 170593975 HSKJQPQTOQZBFA-HSZRJFAPSA-N 329.425 2.985 0 50 EFAA Cc1nnc(S)n1CCNC(=O)c1ccccc1SC(F)F 170644510 QEYWVUGYAPPRFY-UHFFFAOYSA-N 344.412 2.620 0 50 EFAA NC(=O)[C@@H]1CCCCN1CCCc1ccc(OC(F)(F)F)cc1 170607015 AGBUWIBHDOOIJC-AWEZNQCLSA-N 330.350 2.858 0 50 EFAA c1ccc(CN2CCC(Nc3ccc(OC4COC4)cc3)CC2)nc1 188647028 ODTCOCYIFFDFOJ-UHFFFAOYSA-N 339.439 2.936 0 50 EFAA CCN1C(=O)[C@@]2(NC(C)(C)C(=O)N2CC2CCCC2)c2ccccc21 639422512 QSUHHYCBSSSFII-HXUWFJFHSA-N 341.455 2.607 0 50 EFAA CN(c1c(F)cccc1F)S(=O)(=O)c1csc(C(=O)O)c1 194025577 FUYZQPWONSHTSV-UHFFFAOYSA-N 333.337 2.550 0 50 EFAA CS(=O)(=O)[C@@H]1CCCCN(c2cc(Nc3ccccc3)ncn2)C1 663850337 SINHLYBDSHIQNZ-OAHLLOKOSA-N 346.456 2.624 0 50 EFAA c1ccc2oc(NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)nc2c1 1506430936 ZRXNLVVLDUEJNQ-NLKGSNSHSA-N 336.399 2.974 0 50 EFAA Cc1nnc(SCC(=O)N2CCOc3ccc(Cl)cc3C2)o1 1506420340 DFCWHYNEFIOYEC-UHFFFAOYSA-N 339.804 2.545 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1 1529168211 YCBZREMBUGOVLU-SNVBAGLBSA-N 346.412 2.625 0 50 EFAA O=C(Cc1ccsc1)N1CCCN(C(=O)NC2CCCCC2)CC1 1772814660 MHIZZDLXXAZEGH-UHFFFAOYSA-N 349.500 2.867 0 50 EFAA CCCCNC(=O)CC[C@]1(Cc2ccc(OC)cc2)CCC(=O)N1 12244779 OJPOMCAXPQHYIU-LJQANCHMSA-N 332.444 2.583 0 50 EFAA CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 16527224 GMOVDCGASKBNEK-UHFFFAOYSA-N 348.424 2.554 0 50 EFAA COc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1OC 19781994 RHXQSEUKWPWGBE-UHFFFAOYSA-N 346.427 2.623 0 50 EFAA C[C@H]1CN2C[C@H](NC3CCN(c4ccccc4Cl)CC3)C[C@H]2CO1 1857723360 CAWWCIOYEKBWPG-UAGQMJEPSA-N 349.906 2.760 0 50 EFAA C[C@@H](CNc1cc(N2CCOCC2)ncn1)Oc1cccc(Cl)c1 302873025 CGIAFYCOYMYXKK-ZDUSSCGKSA-N 348.834 2.846 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC(NC(=O)NC)CC3)c2c1 412841065 BUPRXUJYQIMZCA-UHFFFAOYSA-N 329.400 2.529 0 50 EFAA O=C(CCc1nncn1-c1ccccc1)NC[C@H]1CCC(F)(F)C1 225481039 OPKXYPJWCHXYDO-ZDUSSCGKSA-N 334.370 2.752 0 50 EFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCC[C@@H]1c1cccs1 328685463 FQBKZQVEQJHLMZ-QWHCGFSZSA-N 327.471 2.627 0 50 EFAA COc1nc(C)ccc1C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 332300659 KPSMEMNNIGNYIW-CQSZACIVSA-N 343.431 2.591 0 50 EFAA O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)N1CCCCC1 660853244 STURJGMNFJXWRT-UHFFFAOYSA-N 340.471 2.830 0 50 EFAA CC(=O)Nc1cc(CN[C@H](C)C2CC2)cc(C(=O)N2CCCC2)c1 14999465 RGIFSZNHIVQCAP-CYBMUJFWSA-N 329.444 2.769 0 50 EFAA CCc1nc([C@@H]2CCCN2C(=O)c2cc(OC)ccc2OC)no1 363625198 SZEGWFWWKXOTOU-ZDUSSCGKSA-N 331.372 2.627 0 50 EFAA CN(C(=O)c1ccc(N2CCCCCC2)nc1)[C@H]1CCCNCC1 372568781 AKPBRJCWEFSEOA-KRWDZBQOSA-N 330.476 2.676 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 901329950 IBWOSAOEQKBCNK-CQSZACIVSA-N 336.819 2.704 0 50 EFAA O=S(=O)(Nc1cccnc1C(F)(F)F)c1cnn(C2CCC2)c1 903632295 OLSOVAWYGAKBKV-UHFFFAOYSA-N 346.334 2.823 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccs3)C1)CC2 1704299508 QYYAZDWJWDYHQJ-GOSISDBHSA-N 327.453 2.896 0 50 EFAA CC(C)[C@H](c1nc(-c2nccn2C)no1)N1Cc2ccccc2C1=O 906104132 VQAULROXUMFDJE-CQSZACIVSA-N 337.383 2.823 0 50 EFAA CCC[C@@]1(CO)CCCN1C(=O)c1ccn(-c2cc(F)cc(F)c2)n1 907770766 FJYQJRBWQJOQQB-SFHVURJKSA-N 349.381 2.918 0 50 EFAA CCN1CC[C@H](NC(=O)c2ccc(NCc3ccsc3)cc2)C1=O 908065287 VPWMPZCDFNOTOO-INIZCTEOSA-N 343.452 2.711 0 50 EFAA O=C(N[C@H](C1CC1)C1(CO)CCOCC1)c1cc(F)cc2ccoc12 824187188 PXEHMPZBKZSZLV-QGZVFWFLSA-N 347.386 2.869 0 50 EFAA CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccn1 36494 CXVIDBBACGACBG-UHFFFAOYSA-N 344.411 2.785 0 50 EFAA O=C1CCC(=O)N1Cc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1 2325770569 ZODDJXLFEOFMSR-UHFFFAOYSA-N 347.321 2.898 0 50 EFAA COc1ccc2c(c1C(=O)NCc1c(C)cc(C)nc1O)CCC2 2325807700 NMJPKPGHEFQADM-UHFFFAOYSA-N 326.396 2.831 0 50 EFAA COc1ccc2[nH]cc(Cl)c(=NC[C@H](C)c3nncn3C)c2c1 893401442 KCUQIRFVPBMCSS-JTQLQIEISA-N 331.807 2.663 0 50 EFAA CCc1cc(CC(=O)N2C[C@H](n3cccn3)Cc3ccccc32)n(C)n1 933731956 YZLVDRJSAQIBOF-GOSISDBHSA-N 349.438 2.552 0 50 EFAA O=C(N[C@H]1[C@@H]2CN(C(=O)CCC3CCCC3)C[C@@H]21)c1ccccc1 976077278 AICVIRYDRZVDHQ-DZFIZOCASA-N 326.440 2.844 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 245228234 KVGUQJKWBRCXTD-FVQBIDKESA-N 340.423 2.530 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)cc2)c1 123299 CJHFTNKCVFSDJO-UHFFFAOYSA-N 327.336 2.821 0 50 EFAA CCOC(=O)c1nn(-c2ccccc2C)c(=O)c2c(N)scc12 469261 SXGQRQVITZAZLR-UHFFFAOYSA-N 329.381 2.515 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 246200676 VUDDGMRIFKJEGO-UWWQBHOKSA-N 343.471 2.980 0 50 EFAA CN(Cc1ccccc1OC(F)(F)F)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356137837 BKBJCHUJTPQVQJ-MJBXVCDLSA-N 342.361 2.932 0 50 EFAA CCS(=O)(=O)[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 3122224 VHVTVWBOLAJKJN-SNVBAGLBSA-N 344.647 2.547 0 50 EFAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(C(=O)O)cc2)C1=O 2356169123 LPFYGMLBMQPBKK-LJQANCHMSA-N 330.428 2.752 0 50 EFAA Cc1cccc(OC[C@@H](O)CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 246310593 AKLDOBGRWZJTJD-HKUYNNGSSA-N 343.471 2.922 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)[nH]n1 225406554 QEFIUJDMXDQDSP-HZMBPMFUSA-N 339.317 2.685 0 50 EFAA O=C(Nc1cccc(-n2ccc(C(=O)O)n2)c1)c1cccc(F)c1 225520065 QWYLMDXFMNCBOJ-UHFFFAOYSA-N 325.299 2.962 0 50 EFAA CCN(CC)Cc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 61722195 QRBLZJSMQUFFDA-UHFFFAOYSA-N 347.444 2.712 0 50 EFAA Cc1cc(N)n(Cc2nc(CC(C)C)nn2-c2ccc(F)cc2)n1 65432344 VGLYYTOOYHBZDQ-UHFFFAOYSA-N 328.395 2.740 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)c1[nH]c3ccc(OC)cc3c1C)C2 67843227 BACHHHMRJWGFKL-UHFFFAOYSA-N 336.395 2.993 0 50 EFAA CCc1c[nH]c2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c12 141773758 JLDCAVPMXPBBQT-UHFFFAOYSA-N 349.438 2.919 0 50 EFAA CCc1ccc2oc(=O)cc(CN3CC=C(CNC(C)=O)CC3)c2c1 65424883 HFTWLRFWDICLMZ-UHFFFAOYSA-N 340.423 2.624 0 50 EFAA CSc1nc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccccn12 119567573 IRDKGDGRRUOAQR-SCLBCKFNSA-N 345.468 2.823 0 50 EFAA O=C(NCCc1cscn1)c1coc(COc2ccc(F)cc2)n1 11844125 NDRNZZQYAOTGME-UHFFFAOYSA-N 347.371 2.822 0 50 EFAA CC(C)[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O 36589936 SLVSVKSWOFVASF-QGZVFWFLSA-N 348.406 2.604 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNS(=O)(=O)c1ccc(C)o1 331763810 HMSPRHJJNIIRJI-CQSZACIVSA-N 335.425 2.995 0 50 EFAA Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)no1 172663586 PYRACQKMRWEYTO-CYBMUJFWSA-N 333.819 2.964 0 50 EFAA O=C(COc1ccc2c(c1)OCO2)N1CC[C@@H](c2ccc(F)cc2)C1 77379893 UZJXGRZURFNSKM-CQSZACIVSA-N 343.354 2.949 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282489865 JRGCVKVOYQQBHB-DOTOQJQBSA-N 339.370 2.579 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cc(C(F)(F)F)n[nH]1 77322763 PMDITPNWNRBVJH-UHFFFAOYSA-N 349.316 2.886 0 50 EFAA CCCN1CC2(CCN(Cc3ccc(O)cc3)CC2)C[C@@H]1C(=O)O 72425108 ANGUSEUMGUQXEH-QGZVFWFLSA-N 332.444 2.543 0 50 EFAA COc1c(F)cc(CN2CCCC[C@H]2CCNC(C)=O)cc1F 77356587 LUJLGYKHXHVDEV-AWEZNQCLSA-N 326.387 2.854 0 50 EFAA CC(C)n1ccc(N[C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)n1 367366955 FOGFJBYAZCNRGQ-ZWKOTPCHSA-N 338.455 3.554 0 50 EFAA O=C(c1ncncc1Cl)N1CCC(Nc2ccc(F)cc2)CC1 175197332 HKHJTKOUUSONSL-UHFFFAOYSA-N 334.782 2.986 0 50 EFAA C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C[C@H]1OCCc2ccccc21 241447010 NQLDGQAPWQSSDA-AYOQOUSVSA-N 328.456 2.776 0 50 EFAA C[C@H]1CN(C(=O)Cc2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)C[C@@H](C)O1 333203647 OFAGXSMWGQAJDG-OCVGTWLNSA-N 347.459 2.932 0 50 EFAA COc1ccc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1-c1ccccc1 237121899 WPTGBMVEBQSYDI-OAHLLOKOSA-N 325.364 2.909 0 50 EFAA Cc1ccccc1C1(O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 371143027 WPHFZVCOZIYRLC-HNNXBMFYSA-N 339.439 2.648 0 50 EFAA O=C(Cn1c(O)nc2ccccc21)N1CC[C@H]1c1ccccc1F 374035804 VBHSCNZWMCUSJR-HNNXBMFYSA-N 325.343 2.855 0 50 EFAA CCOc1ccc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c(C(N)=O)c1 129160398 UPPDSHGMFZPHAY-LBPRGKRZSA-N 342.395 2.935 0 50 EFAA Cc1c(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)cnn1-c1ccccc1 262507522 ZTXNBMCVXJWLGM-MRXNPFEDSA-N 339.395 2.508 0 50 EFAA CCc1nc2c(N3CCC[C@H](OCc4ccccn4)C3)ncnc2o1 77452714 LTQDVGBVHKYWBR-AWEZNQCLSA-N 339.399 2.761 0 50 EFAA Cn1ccc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)n1 158847543 QXBYXJVSNGWCSR-GFCCVEGCSA-N 333.367 2.794 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)CCc2ccc(C)c(C)c2)C[C@H]1C(C)C 77471162 GDDKCWSQCPYABR-RBUKOAKNSA-N 330.472 2.855 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(CC3CC3)CC2)c1 72475633 WFHPTIIQGQGDNL-UHFFFAOYSA-N 330.472 2.558 0 50 EFAA c1cncc(CN2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)c1 72151647 XEVNQGQUBAZVGW-UHFFFAOYSA-N 347.466 2.975 0 50 EFAA O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(Cc2csnn2)C1 241368028 MJKUPOYQNKMJQT-GXFFZTMASA-N 329.347 2.865 0 50 EFAA COC(=O)c1ccsc1NC(=O)N1CCN(c2ccccc2)CC1 17072011 KVFFVADSHYIUQZ-UHFFFAOYSA-N 345.424 2.889 0 50 EFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C[C@@]23C=C[C@H]1O3 226756652 PGXMGARYMQEPQY-YZLZLFLDSA-N 341.407 2.625 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cncc(C(F)(F)F)c2)C1 263441344 PUPXWNBEKATIJC-JTQLQIEISA-N 330.306 2.817 0 50 EFAA CC[C@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)O 291012186 VADQEGQLTNGUMR-SNVBAGLBSA-N 345.364 2.546 0 50 EFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(Cl)cc2c1OCC2 289996005 YQQNLWSPYYOIGQ-CXAGYDPISA-N 336.863 2.570 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1nnc2n1CCCCC2 221358238 GZRQEQMXYKPFCJ-MRXNPFEDSA-N 340.427 2.821 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN[C@H](c2ccccc2)C1 91695783 PGPHGHMAULMZFE-SFHVURJKSA-N 340.471 2.888 0 50 EFAA COc1cccc(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1OC 95357115 BHLCKMWSFYNRJQ-QGZVFWFLSA-N 346.402 2.762 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@]2(CCCNC2=O)C1 91845775 NZIUYPYFJOFFGV-OAQYLSRUSA-N 349.434 2.799 0 50 EFAA Cc1ccccc1CN1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91651363 PIHOWVBPPBBHAQ-OAQYLSRUSA-N 342.483 2.989 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(c1ncccc1Cl)C2 91745250 BSXWBAMTGCQIGX-GOSISDBHSA-N 349.862 2.733 0 50 EFAA O=C(CSc1ccncc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95355107 FNAPBVWLFYPWDE-IAGOWNOFSA-N 345.512 2.897 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)no1 91476363 WJVIOLCXUONXNU-IAGOWNOFSA-N 325.412 2.720 0 50 EFAA CCCn1cc(CNC(=O)Nc2ccc(C(=O)N(C)C)cc2C)cn1 97657159 SKWIWMKSNJGZFA-UHFFFAOYSA-N 343.431 2.625 0 50 EFAA Cc1nn(CCNC(=O)c2ccc([C@H]3CCCNC3)cc2)c(C)c1C 95386588 JGGIQUVDMPCTGM-IBGZPJMESA-N 340.471 2.705 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(F)cc1)CC2 91445225 GBAKPGKYIQXSNL-UHFFFAOYSA-N 347.434 2.760 0 50 EFAA CCc1nnc(CNC(=O)Nc2cc3c(cc2C)OCCO3)s1 97772768 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O=C1[C@@H]2CC[C@@H](CN(CCCOc3ccc(F)cc3)C2)N1CC1CC1 248010848 VKXXUZOCBWTUCF-AEFFLSMTSA-N 346.446 2.927 0 50 EFAA COC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1O)C1CCOCC1 824770942 ACZDNGVHABWUBM-CYBMUJFWSA-N 348.226 2.870 0 50 EFAA CCc1onc(C)c1CN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O 925464695 SZSXAUGGBMKKFA-OAHLLOKOSA-N 327.384 2.551 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(Cc1cnnn1-c1ccccc1)C2 932613260 JLIVKRGPIQMOLD-UHFFFAOYSA-N 336.443 2.777 0 50 EFAA Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 51943 WDCLRPJBLIAXJA-UHFFFAOYSA-N 331.426 2.967 0 50 EFAA C[C@@H]1CCn2c(C(=O)N3C[C@@H](CCN)Cc4ccccc43)cnc2C1 2325798797 BBOYBYXHAVXWSA-CABCVRRESA-N 338.455 2.633 0 50 EFAA O=C(Nc1ccc2c(cnn2C(F)F)c1)C(F)(F)[C@H]1CCNC1 2325799401 SZEBZCMAIRNBLM-VIFPVBQESA-N 330.285 2.615 0 50 EFAA O=C(O)c1ncoc1[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2325803051 MWATYZRHFAHASY-MMWGEVLESA-N 340.326 2.718 0 50 EFAA CO[C@H]1CC[C@@H]1Cc1nc(-c2cnn(Cc3ccccc3)c2)nn1C 2325849438 PMHWLSBXTMHHBS-WBVHZDCISA-N 337.427 2.694 0 50 EFAA C[C@H](NCCn1ncc2ccccc2c1=O)c1ccc2n[nH]cc2c1 2325859182 QKVADPFCLIEDLH-ZDUSSCGKSA-N 333.395 2.624 0 50 EFAA COCC1(CCNC(=O)c2c(C(F)F)nc3cnccn23)CCC1 891173050 HLBYAZBDKMXCIN-UHFFFAOYSA-N 338.358 2.604 0 50 EFAA CC(C)Cn1cc(NC(=O)c2c(C(F)F)nc3cnccn23)cn1 896722940 ZEFXTKIUNLQYIC-UHFFFAOYSA-N 334.330 2.772 0 50 EFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(F)c(Br)c1 213140 BDHZKGFMTNRTFE-VIFPVBQESA-N 342.164 2.639 0 50 EFAA COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)(C)C 279849 WKXFPHPNPASBRC-AWEZNQCLSA-N 334.441 2.830 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C 309435 LKEXOVTZWKDQIA-UHFFFAOYSA-N 328.393 2.908 0 50 EFAA CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1 558511 AVPSKJFPEIHVEH-UHFFFAOYSA-N 341.411 2.837 0 50 EFAA COC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1C 609085 UJBJXCWSTKBPEP-UHFFFAOYSA-N 329.352 2.808 0 50 EFAA Cc1ccc([C@H](C)CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 246312065 DVUGBEYXVJNKDN-NXHRZFHOSA-N 332.444 2.688 0 50 EFAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCCO)c1C 1792924 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CCCCCC[C@H](O)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 242183910 XCXXOGLAXRVSMW-KGLIPLIRSA-N 338.414 2.708 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286384408 QJADKCURYRXSQS-FLLWYEDFSA-N 343.467 2.959 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cncc(C(F)(F)F)c1 263385063 CMYGNJKKNBBZDW-BIMULSAOSA-N 342.317 2.958 0 50 EFAA Cc1ccc(Oc2ccc(CN3CC[C@@H](N)[C@H](O)C3)cc2)cc1C 82106178 RQNWCCKNMUJLAV-WOJBJXKFSA-N 326.440 2.990 0 50 EFAA CC(C)Oc1ncccc1NC(=O)Cc1cc2ccccc2[nH]c1=O 131406037 VLWPERKKJNBVOW-UHFFFAOYSA-N 337.379 2.892 0 50 EFAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1c[nH]nc1C1CCCCC1 134189907 XEJMJQKXNKKMNV-UHFFFAOYSA-N 339.399 2.557 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)c1 223173197 KVHAJCPNEKFDLP-CQSZACIVSA-N 332.429 2.578 0 50 EFAA Fc1ccc(-c2cn(CC3CCN(C[C@@H]4CCOC4)CC3)nn2)cc1 20600882 QUFIYIQKVRYQAE-INIZCTEOSA-N 344.434 2.833 0 50 EFAA CC(C)CN1CCN(C(=O)NCc2cc3ccccc3[nH]2)[C@@H](C)C1=O 426479144 UWZWPKJWDLZZMN-AWEZNQCLSA-N 342.443 2.566 0 50 EFAA CCN(CC)CCN1C(=O)[C@](NC)(c2ccccc2)c2ccccc21 44124860 HKMPSYBPCYIFAU-NRFANRHFSA-N 337.467 2.838 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 82171969 JFKBXTQKFLIPMP-HNNXBMFYSA-N 337.383 2.687 0 50 EFAA COC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 226088537 HXAUQHZPYOZFGN-UHFFFAOYSA-N 333.409 2.748 0 50 EFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCC2)C1 95507709 VMQDBCFSVVJAEK-MRXNPFEDSA-N 347.507 2.666 0 50 EFAA CC[C@@H](NC(=O)c1ccccc1)c1noc(Cc2cnn(C)c2C)n1 293089387 SCVSETREZUOCTL-OAHLLOKOSA-N 339.399 2.583 0 50 EFAA COc1ccc2nc(N3CC(C)(C)O[C@]4(CCOC4)C3)c(C)nc2c1 293196666 WVIQQCZZRVSJRT-LJQANCHMSA-N 343.427 2.721 0 50 EFAA Cc1cc2c(cc1NC(=O)N(Cc1cnn(C)c1)C1CC1)OCCO2 96165247 MZUYVGHTEXDWJG-UHFFFAOYSA-N 342.399 2.696 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)c1c(F)ccc(F)c1F)CC2 92077886 LMFGSQRWQHUXSB-UHFFFAOYSA-N 340.345 2.579 0 50 EFAA CC(F)(F)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1 293643100 USJHQQOENRSHQX-CYBMUJFWSA-N 334.370 2.942 0 50 EFAA CCCN1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)C1=O 91587027 BFIAMAFMHXEQDT-HXUWFJFHSA-N 344.455 2.707 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCCCNc1ccc(C)cn1 91381870 TWULACCYXHWYPL-UHFFFAOYSA-N 329.448 2.962 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H]1CCCCN1C 95376269 MXIQKYUECZGJBB-ZDUSSCGKSA-N 346.397 2.591 0 50 EFAA CN(C)CCCn1ccnc1C1CCN(C(=O)C2CCCC2)CC1 95380426 XUTJEYPOVRUXIU-UHFFFAOYSA-N 332.492 2.731 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCCN(C)C)C2 95369003 XDFFKIPTMPFUDG-AZUAARDMSA-N 345.531 2.933 0 50 EFAA Cc1cc(C)n(CCN(C)CCC(=O)Nc2cc(F)ccc2F)n1 244882891 YBCPSRJWLOZZJY-UHFFFAOYSA-N 336.386 2.739 0 50 EFAA CC1(C)C[C@H](O)CCN(CC(=O)Nc2nc(-c3ccco3)cs2)C1 296096689 PVRMTTKCYMFCAO-GFCCVEGCSA-N 349.456 2.825 0 50 EFAA CCC1=NO[C@H](CN(C)Cc2cnn(-c3cccc(OC)c3)c2)C1 244858602 VODLNTRCKIMBCT-SFHVURJKSA-N 328.416 2.868 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 252536011 HLCKNSBAKRHYHC-VPWXQRGCSA-N 349.434 2.604 0 50 EFAA COCO[C@@H]1C=C([C@]2(O)C[C@H]3C(C)=C(OC)[C@H]2CC3(C)C)OCC1 257355991 FBMDXLIXSVJDPB-ZTENYAIWSA-N 338.444 2.997 0 50 EFAA CC1CCN(C(=O)CN2CCNC[C@@H]2c2cccc(Cl)c2)CC1 261654085 HPLCBQMZEPAJMD-QGZVFWFLSA-N 335.879 2.545 0 50 EFAA CCc1noc(-c2cccc(NC(=O)NCC[C@H]3CCCN3C)c2)n1 299791845 DGDKYTQBIIHDTL-OAHLLOKOSA-N 343.431 2.905 0 50 EFAA CC(C)(C)c1csc(CNC(=O)CCN2CCCCCC2=O)n1 299759170 AKLSGHHNISXSFO-UHFFFAOYSA-N 337.489 2.850 0 50 EFAA c1ccc(N2CC[C@@H](NC3CCN(Cc4ccncc4)CC3)C2)cc1 584887979 ZPWAQNKACBIANA-HXUWFJFHSA-N 336.483 2.915 0 50 EFAA CC(C)Cc1ccc(CN2CC[C@H]3NCCC[C@]3(C(=O)O)C2)s1 821459889 MRQKTOFZWQCIJZ-AEFFLSMTSA-N 336.501 2.975 0 50 EFAA O=c1c2c(C(F)(F)F)cccc2ncn1[C@H]1CCc2c[nH]nc2C1 584899426 WJHQSOKKFMJDGC-JTQLQIEISA-N 334.301 2.868 0 50 EFAA CC[C@H](CNC(=O)N1CCC2(CC1)COC(=O)O2)Cc1ccccc1 584898521 HNMXEKCLSMSFLZ-HNNXBMFYSA-N 346.427 2.966 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N3CC(c4n[nH]c(C)n4)C3)nc2)c1 1154652878 QFFPXKRYYISNIT-UHFFFAOYSA-N 349.394 2.848 0 50 EFAA C[C@H](NC(=O)Cc1cn(C)nc1Cl)c1ccc(C(F)(F)F)nc1 1875269841 YCGPMQLXVORWHB-QMMMGPOBSA-N 346.740 2.907 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)C1CC(C(F)(F)F)C1 1875287267 BUUIXDAOXVJMBK-GCVQQVDUSA-N 326.318 2.944 0 50 EFAA CCn1nc2c(c1C(=O)N(C)CC(O)(CC)CC)C[C@H](C)O[C@@H]2C 1875314436 XURJMFKRELHKMJ-QWHCGFSZSA-N 337.464 2.548 0 50 EFAA N=[S@]1(=O)CCC[C@]2(CCCN2C(=O)CCOc2ccccc2)C1 1875395314 AMWDBPQWHHOBGD-HXOBKFHXSA-N 336.457 2.657 0 50 EFAA CN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)Cc1ccccc1 952964611 AYITWPFQIRZYEP-UHFFFAOYSA-N 343.408 2.698 0 50 EFAA C[C@@](O)(CCCO)CNC(=O)c1ccc(-c2ccccc2Cl)o1 952989799 XHOTVVMYRCXGNM-QGZVFWFLSA-N 337.803 2.853 0 50 EFAA COc1ccccc1C1(C(=O)Nc2ccc([C@@H]3CCCN3)nn2)CC1 886085288 JSCXDKFSOSVRAJ-AWEZNQCLSA-N 338.411 2.580 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)n(C)n1 886095265 PHYLCJMKESNTKV-PNPHSEOMSA-N 331.464 2.507 0 50 EFAA Cc1nc(-c2cc(C(=O)NCc3nc(C(C)C)n[nH]3)co2)cs1 1775986455 LQLDESXJVALQFQ-UHFFFAOYSA-N 331.401 2.883 0 50 EFAA NC(=O)[C@@H](NCc1cccc2c1CCOC2)c1ccc(Cl)cc1 1364635044 BLNCUVZFAURGOE-KRWDZBQOSA-N 330.815 2.729 0 50 EFAA Cn1cc(Br)c(NC(=O)N2CCCCCCC2)cc1=O 1365538161 VPRYGTXAIOFBLV-UHFFFAOYSA-N 342.237 2.946 0 50 EFAA O[C@H]1CN(c2ccc3cc[nH]c3n2)CC[C@@H]1c1ccc2c(c1)OCO2 1565528624 KQXLMWSIVYFILM-CABCVRRESA-N 337.379 2.646 0 50 EFAA O=S(=O)(C[C@H]1CC2(CCC2)CO1)NCc1cccc2cccnc12 1474896756 UTDUGLFZHRLMFZ-MRXNPFEDSA-N 346.452 2.613 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@H](C(C)(C)C)C1=O 170592695 PUXLBECBLYFGLA-INIZCTEOSA-N 348.443 2.877 0 50 EFAA CCN(C)C(=O)[C@H]1CSCN1C(=O)c1sc(C(C)C)nc1C 170618354 SEPXRHRDGYMXHV-LLVKDONJSA-N 341.502 2.568 0 50 EFAA COc1ccc2c(c1)OCCN(C(=O)CCc1scnc1C)C2 412331840 OINKQHWAKCZUSD-UHFFFAOYSA-N 332.425 2.814 0 50 EFAA O=C(c1cccnc1)c1nccn1C[C@H](O)c1cc(F)ccc1F 186766491 LSZIMRLQNIAZMV-HNNXBMFYSA-N 329.306 2.521 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)c3ccncc3F)CC2)c1 280376331 ZJUDMEUPXNHWGE-UHFFFAOYSA-N 328.387 2.739 0 50 EFAA O=C(NCc1cccc2c1OCO2)N(Cc1cccnc1)C1CC1 171350821 FOUBOISXSWJALW-UHFFFAOYSA-N 325.368 2.685 0 50 EFAA CC[C@@H]1CCCCN1CCNC(=O)c1cc(C)nc(C(F)(F)F)n1 189527117 COHVYOOUANHCBH-GFCCVEGCSA-N 344.381 2.798 0 50 EFAA Cc1cccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1Cl 190803115 FWPCTFPQIBYHHN-LBPRGKRZSA-N 325.792 2.744 0 50 EFAA CCCn1nccc1NC(=O)N[C@@H](CC)C(=O)NCc1cccs1 646190809 CDGWUTULAXGGAX-ZDUSSCGKSA-N 349.460 2.571 0 50 EFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 668807033 CJOFPCAYMYHZOD-NXWXRZEISA-N 339.439 2.693 0 50 EFAA C[C@H]1CN(C2CC2)CCN1C(=O)CCc1nc2ccccc2s1 1363118232 POJIFCPHGHXISR-ZDUSSCGKSA-N 329.469 2.924 0 50 EFAA CC(C)[C@H]1CN(c2ncccc2C(N)=O)C[C@@H](c2ccccc2)O1 1529155164 PCBVKULLZDVYGG-SJORKVTESA-N 325.412 2.783 0 50 EFAA CCOCCc1nnc(NC(=O)c2ccc(F)c(OC)c2F)s1 1529101982 SRCODDZFYNHKJZ-UHFFFAOYSA-N 343.355 2.656 0 50 EFAA O=C(c1cc2cc(F)ccc2[nH]1)N1CCCN(C2CCOCC2)CC1 1772814063 HVUKQGMHCJMXDU-UHFFFAOYSA-N 345.418 2.634 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772814060 HLOMEJDDOLQWQF-AEFFLSMTSA-N 349.434 2.607 0 50 EFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2)s1 12379804 BIXNFONRSMCFKV-UHFFFAOYSA-N 331.806 2.556 0 50 EFAA CCCNC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12470582 IPOSFWLLJHLNNU-MRXNPFEDSA-N 325.412 2.650 0 50 EFAA CSCC(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12582210 WYCXLIMFAXZMBG-MRXNPFEDSA-N 327.877 2.847 0 50 EFAA COc1ccc(CC(=O)Nc2ccccc2N2CCOC2=O)cc1 19228534 CAQVDJIQSIBCOK-UHFFFAOYSA-N 326.352 2.833 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 169616536 MJMBIOUKZPOGBE-WISYIIOYSA-N 328.151 2.586 0 50 EFAA O=C1OC[C@]2(Cc3ccccc3)CN(CCC(F)(F)F)CCN12 1857695063 RYWYTXHQWPQGQN-HNNXBMFYSA-N 328.334 2.688 0 50 EFAA CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1 1857737859 GXPLMTVOPIZQLT-MVWJERBFSA-N 338.860 2.611 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 3451119 NJFIWCRIRZHNQE-UHFFFAOYSA-N 338.473 2.780 0 50 EFAA Cc1noc(COCC(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1 230088472 WONCUQLLGQYMDD-IOASZLSFSA-N 329.400 2.688 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 332731186 UHIFGSHGOQHHJF-INIZCTEOSA-N 326.824 2.872 0 50 EFAA Cc1nc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cs1 337414601 OWCQUZKYGRPKRK-QMMMGPOBSA-N 348.819 2.572 0 50 EFAA C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H](C(=O)O)C1 136147164 LRAYRONUENUDCF-MNOVXSKESA-N 345.317 2.796 0 50 EFAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3nc(N(C)C)no3)C2)cc1 367760219 YUNZGHQYLXFONA-HIFRSBDPSA-N 343.431 2.532 0 50 EFAA O=C(O)COc1cccc(C(=O)NC[C@@H]2CCCc3ccccc32)c1 262065982 DQXHGUUSVFWZFJ-INIZCTEOSA-N 339.391 3.000 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2cccc(CCC(=O)O)c2)n1 262349117 DXCZXXMCVLZNRL-UHFFFAOYSA-N 331.372 2.782 0 50 EFAA C[C@@H](C(=O)O)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 262817592 APFUECOIDCHHKP-OCCSQVGLSA-N 344.411 2.604 0 50 EFAA CC1(c2ccccc2)CC(NC(=O)c2ccc(N3CCCC3)nn2)C1 264314182 OHOWWFVNYOIXLF-UHFFFAOYSA-N 336.439 2.927 0 50 EFAA COc1cccnc1CNC[C@@H](O)c1ccccc1C(F)(F)F 819356479 DSKWNBJTDMNLJL-CQSZACIVSA-N 326.318 2.932 0 50 EFAA COc1ccc(Cl)cc1N(C)C(=O)c1coc2c1C(=O)NCCC2 906697652 QYSDULVNPFEMGE-UHFFFAOYSA-N 348.786 2.894 0 50 EFAA CC1(C)CN(C(=O)c2ccnc3cc(Cl)ccc23)[C@@H]2COC[C@H]2O1 824125518 DJPPWOWKBCLTMW-HZPDHXFCSA-N 346.814 2.907 0 50 EFAA CN1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3F)no2)CC1=O 1247716872 NMGHKRTZUCFCRA-ZETCQYMHSA-N 329.253 2.840 0 50 EFAA CN(C)C[C@@H]1CN(C(=O)c2cc3ncccc3o2)c2ccccc2O1 934735850 RGFXOKWIHGHKGM-CYBMUJFWSA-N 337.379 2.797 0 50 EFAA Cc1ccc(C(=O)NC[C@H]2[C@@H](C)CCCN2C(=O)c2ccon2)cc1 945737671 QANGPCWEMXQDAT-YOEHRIQHSA-N 341.411 2.654 0 50 EFAA Cn1ncnc1CNC1CCN(c2cccc(C(F)(F)F)c2)CC1 2325760830 OBJCLNFSZLLARO-UHFFFAOYSA-N 339.365 2.593 0 50 EFAA O=C(NCc1ccn2ccnc2c1)c1ccc([C@H]2CCCN2)s1 2325768526 SBUDQUWIGCEYPZ-CYBMUJFWSA-N 326.425 2.750 0 50 EFAA CO[C@H]1C[C@H](C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C[C@H]1OC 2325792568 TWJVNQVOKGCMNY-GJWQZFMSSA-N 343.427 2.868 0 50 EFAA CCCCN(C)c1ccc(N)c(C(=O)N[C@H]2CC23CC(OC)C3)c1 2325798429 BIFNTXSCRVRVQJ-KGYZHSKHSA-N 331.460 2.802 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)c2noc3c2C[C@H](C)CC3)C(=O)O)c1 2325865413 BEOXOGMYSYUXLD-HWPZZCPQSA-N 342.395 2.972 0 50 EFAA CS(=O)(=O)c1coc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 2325869980 DXXXDOQHYSKPCI-MRXNPFEDSA-N 349.452 2.517 0 50 EFAA NC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 508371 MVKVYMIXUFASJO-UHFFFAOYSA-N 333.800 2.566 0 50 EFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(OC)ccc2ccccc12 974831 XCSIIVAZITVXKP-INIZCTEOSA-N 326.352 2.649 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@]34CCCNC4=O)c2)n1 2356142308 MZUYLDXLODWALI-HXUWFJFHSA-N 338.455 2.734 0 50 EFAA CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1 2865910 COQIDSXBZNJQQZ-UHFFFAOYSA-N 331.420 2.923 0 50 EFAA CC[C@@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 2885337 GNEXBOCFVVXXBE-LLVKDONJSA-N 337.221 2.897 0 50 EFAA CNC(=O)COc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 4843206 OTTDKYLZUXILBZ-OAHLLOKOSA-N 340.423 2.563 0 50 EFAA COC(=O)c1ccc(OC(=O)c2nc(SC)ncc2Cl)cc1 6662103 HUGDFPSVKAJAAF-UHFFFAOYSA-N 338.772 2.858 0 50 EFAA CCN(CC)CCNc1cc(C)nc2c3c(C)cc(C)nc3nn12 6759139 LFPRCIYJGDYRTH-UHFFFAOYSA-N 326.448 2.956 0 50 EFAA COc1ccc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 6973788 LQQJBVAZAYPBQC-UHFFFAOYSA-N 341.396 2.606 0 50 EFAA C[C@H](CN1CCN(C)CC1)Nc1ncc(Cl)cc1Br 225594134 QEBABRUJZPJKHR-SNVBAGLBSA-N 347.688 2.545 0 50 EFAA Cc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F 10382161 WLCYHQRNCQDXAV-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA CCN(CC(=O)Nc1ccccc1OC)Cc1cnc([C@@H](C)O)s1 225637178 NYKDSYHRGXOJSK-GFCCVEGCSA-N 349.456 2.666 0 50 EFAA COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)C 101090402 HUGJYMAWPMFJTR-PYTWLRIVSA-N 337.375 2.731 0 50 EFAA CC(=O)Nc1nnc(COc2ccc(Br)cc2)s1 9167892 YNWPBTRBYWAZRK-UHFFFAOYSA-N 328.191 2.838 0 50 EFAA CC1(C)C[C@@H](CN2CCN(C3Cc4ccccc4C3)CC2)CCO1 65423912 ASFOHLABEWKFRU-KRWDZBQOSA-N 328.500 2.977 0 50 EFAA CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)CN2CCCC2=O)o1 229927902 HCPDIXUDOJGBDE-INMHGKMJSA-N 334.460 2.598 0 50 EFAA Cc1nc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)oc1C 230114880 QSWQXRJXHITRML-DYVFJYSZSA-N 342.443 2.611 0 50 EFAA CC[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1 252673616 RFVUDKVPXJSBEW-UHOFOFEASA-N 328.453 2.536 0 50 EFAA Cc1ccc(/C=C/S(=O)(=O)NCc2cn3c(n2)CCCC3)cc1 328596772 FCGZSVHBVRYTAI-PKNBQFBNSA-N 331.441 2.618 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)CC/C=C/c2ccccc2)o1 328611057 KETCPGVRUACCIL-RDTXFTJFSA-N 327.384 2.772 0 50 EFAA CC(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)c1 71384791 ADOGVIHHWLHVHA-JTQLQIEISA-N 338.363 2.595 0 50 EFAA O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(-n2cnnc2)cc1 122371493 ORLXTZUVMGFUQV-UHFFFAOYSA-N 344.378 2.764 0 50 EFAA O=C1C[C@@H](Cc2ccc(NCC3=Cc4ccccc4OC3)cc2)C(=O)N1 151649505 FKZKEIZUTBUZSN-QGZVFWFLSA-N 348.402 2.780 0 50 EFAA COC(=O)C1(CSc2nnc(NCC(F)(F)F)s2)CC1 253420438 JKXWLXNODBRHTD-UHFFFAOYSA-N 327.353 2.558 0 50 EFAA O=S(=O)(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ccc(-n2cccn2)cc1 77506178 VSFSBLNFMCYCGK-JQFCIGGWSA-N 331.441 2.729 0 50 EFAA Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 152202832 FOMJYELSDHZSBU-LLVKDONJSA-N 340.387 2.625 0 50 EFAA O=C1NCCN1c1cc(NC(=O)N2CCC[C@@H]2CF)ccc1Cl 455374319 XGWLUFGDHJQDJL-LLVKDONJSA-N 340.786 2.835 0 50 EFAA O=C(c1cscn1)N1CCCN(CCCc2ccccc2)CC1 77387543 KYSSLNGHXPEYRN-UHFFFAOYSA-N 329.469 2.924 0 50 EFAA COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 217839951 TWNGQKHZGXWFAG-AWEZNQCLSA-N 340.331 2.899 0 50 EFAA biogenic C=CC(=O)NCCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 490757828 KYLNVGYXYNILHT-NRFANRHFSA-N 334.419 2.853 0 50 EFAA C[C@@H]1Cc2cc(CN3CCCN(C(=O)C4CCC4)CC3)ccc2O1 71315183 QWXBJKXPLBWIKD-OAHLLOKOSA-N 328.456 2.844 0 50 EFAA c1ccc(-n2cc(CCN[C@@H]3CCOC4(CCOCC4)C3)cn2)cc1 77421445 RKLWXJHUJXNHGL-GOSISDBHSA-N 341.455 2.733 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4cccnc43)CCO2)c1 333390573 CVHMNIKFYZZHRK-MSOLQXFVSA-N 338.407 2.720 0 50 EFAA C[C@H](OC1CCCCCC1)C(=O)N1CCNC[C@H]1c1ccncc1 333336236 XDDZPCLLXYKNRY-YJBOKZPZSA-N 331.460 2.682 0 50 EFAA COc1ccccc1CCNC(=O)CCc1ccc(C(=O)O)cc1 237152676 DOKZLFXJFHRGAP-UHFFFAOYSA-N 327.380 2.685 0 50 EFAA CSc1ncc(CN2CCC[C@@H](OCc3cccnc3)C2)cn1 72159184 KSQDCQJUBMUHEA-MRXNPFEDSA-N 330.457 2.775 0 50 EFAA CCc1[nH]nc(NCc2c(Cl)cccc2N2CCOCC2)c1C 339296631 BFFXERJHPJIELH-UHFFFAOYSA-N 334.851 3.383 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 77503448 DISYUIHEJFRIQF-CYBMUJFWSA-N 344.484 2.850 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NC2(C(N)=O)CCCCCC2)cc1 72448041 JXCMXFKTJXGENM-UHFFFAOYSA-N 346.471 2.698 0 50 EFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OC)c2)N1 34685244 AFAUJFNORYVHAJ-ROUUACIJSA-N 336.391 2.953 0 50 EFAA biogenic Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)O 262576485 DMLWHFAMQGHQBE-CFVMTHIKSA-N 344.411 2.669 0 50 EFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1Cc2ccccc2CO1 376616057 UAEFXLRCMNEHHO-UHFFFAOYSA-N 335.367 2.806 0 50 EFAA Cc1cccc(CSCCCNC(=O)c2cccn(C)c2=O)c1 215153547 OUTBPVNPYCACAJ-UHFFFAOYSA-N 330.453 2.747 0 50 EFAA CC1(C)[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)C[C@H]21 174077642 LRSQBQMDVHNVJC-IAGOWNOFSA-N 326.440 2.653 0 50 EFAA CO[C@H]1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)CC1(C)C 455221536 ZSGHGRKDDCEKLB-HNNXBMFYSA-N 343.431 2.605 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)C1Cc2ccccc2C1 285178614 MPKPPOJUFFAANU-QZTJIDSGSA-N 339.439 2.606 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1ccc(C)o1 175676806 GKMAKRFSNYPFCY-HZPDHXFCSA-N 346.431 2.827 0 50 EFAA CCS(=O)(=O)Nc1ccc(NC(=O)C(F)(F)C(F)F)cc1C 176081438 DXKYNVOQNWOJBG-UHFFFAOYSA-N 342.314 2.596 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3cccc(O)c3)CC2=O)cc1 82156104 OKMPFIRSOPDSTB-OAHLLOKOSA-N 338.407 2.507 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCc2ccccc2C1 82114584 WPNHIMOVNZBYRB-KRWDZBQOSA-N 348.406 2.895 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 229219214 VACMNZQAVYAYNP-UONOGXRCSA-N 332.473 2.870 0 50 EFAA CC(C)n1cc2cc(NC(=O)N(C)[C@H](C)C[S@@](C)=O)ccc2n1 161249599 WXPVSEGRZLAJOQ-SPSFWMDKSA-N 336.461 2.848 0 50 EFAA COc1cc2c(cc1CNC(=O)CCc1c(C)nn(C)c1C)CCC2 82156182 YSIMXABPUZBSFN-UHFFFAOYSA-N 341.455 2.783 0 50 EFAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccc(F)cc1 20999706 MGOJMVKCBIXDJP-LJQANCHMSA-N 344.430 2.600 0 50 EFAA COc1ccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c(OC)c1 426465353 WVVAKJIWERNSOO-IBGZPJMESA-N 343.423 2.736 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(Cc2cc(F)ccc2OC)C1 91665270 UEEPDKWTXJDJQY-KRWDZBQOSA-N 325.380 2.538 0 50 EFAA CCCc1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)n[nH]1 91381077 DTTHEOGEQKHWPC-UHFFFAOYSA-N 340.471 2.972 0 50 EFAA Cc1c(Cl)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)nn1C 421446417 LWZSWLLKSKTNPL-UHFFFAOYSA-N 334.807 2.772 0 50 EFAA CO[C@@H](C)Cn1c(=O)[nH]c2cnc3ccc(Br)cc3c21 143195361 SJVSNQJOFQKUGC-QMMMGPOBSA-N 336.189 2.675 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCc3ccc4c(c3)OCO4)[nH]n2)o1 91593980 PZMXGADQHKFYQL-UHFFFAOYSA-N 339.351 2.679 0 50 EFAA C[C@H](c1nc(-c2ccncc2)nn1CCO)N(C)C1CCCCC1 96148096 KUMQISDHIYILNR-CQSZACIVSA-N 329.448 2.658 0 50 EFAA COCCCCCC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91594544 UFVHETIBNMJLIT-UHFFFAOYSA-N 345.443 2.619 0 50 EFAA Cn1ccnc1C1CCN(C(=O)CCCOc2ccccc2)CC1 95509231 KSOIXVXUFPOLRB-UHFFFAOYSA-N 327.428 2.985 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2N(C)C)cc1 95519532 ZKAONISZESNOEU-ZWKOTPCHSA-N 328.412 2.766 0 50 EFAA Cc1nc2ccccc2c(O)c1CCC(=O)N1CCC2(CCO2)CC1 244691892 JKVWSJDGCWWYTB-UHFFFAOYSA-N 340.423 2.963 0 50 EFAA Cc1nc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c(C)s1 295784211 QKLQAKCHDFBWJA-UHFFFAOYSA-N 343.408 2.532 0 50 EFAA CC1(C)C[C@@H](C(=O)NCc2nc(-c3ccc(F)cc3)no2)CCO1 244742138 OCKFHKDKSAGQJI-LBPRGKRZSA-N 333.363 2.697 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cn4ccnc4C)C3)nc2c1 297347214 HNVBGUOQIFJRQC-OAHLLOKOSA-N 337.427 2.782 0 50 EFAA COC(=O)CCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 182732256 ZJROFIISBRJPJR-AWEZNQCLSA-N 325.792 2.583 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CCO1 183649899 HGNPGSROEOOWCM-SLFFLAALSA-N 344.499 2.872 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)nn1C(C)(C)C 299742125 HALDOZKRBDIQKV-DLBZAZTESA-N 342.443 2.944 0 50 EFAA CC(C)(C)OC(=O)N1CC2(C[C@H](NC3CCCC3)c3nccn32)C1 864097096 NNDJJEMKJCEJQV-AWEZNQCLSA-N 332.448 2.806 0 50 EFAA O=C(c1cccc2cccc(O)c12)N1CCC[C@H](C2OCCO2)C1 864056350 BNFOBDKJFXLWQS-AWEZNQCLSA-N 327.380 2.771 0 50 EFAA CO[C@H]1COC[C@@H]1NC(=O)C1(Nc2ccc(C)cc2)CCCCC1 670459160 KHJDGFKMHVHKIN-IRXDYDNUSA-N 332.444 2.640 0 50 EFAA O=S(=O)(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn[nH]c1 1875258141 BHKIKEVWWVUDDK-LLVKDONJSA-N 332.212 2.682 0 50 EFAA COCc1nc([C@H]2CN(c3ncccc3Cl)C[C@@H]2C2CC2)n[nH]1 952850334 KNHXLTMJOUZWDV-NEPJUHHUSA-N 333.823 2.630 0 50 EFAA Cc1cccc([C@H](C(=O)N(CCO)Cc2ccccc2C)N(C)C)c1 952988697 RMPRCIWFSUABHW-HXUWFJFHSA-N 340.467 2.927 0 50 EFAA CC(C)N1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 885939175 UHXQEDXQRYIGIA-OAHLLOKOSA-N 330.881 2.632 0 50 EFAA Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(CC(C)C)no3)C2)o1 952975701 KXOOFPSQELULJZ-ZDUSSCGKSA-N 332.404 2.893 0 50 EFAA O=C(c1ccc(CO)nc1)N1CC[C@H](CSc2ccccc2)C1 1411860343 COQYCUGSAHZMBO-AWEZNQCLSA-N 328.437 2.828 0 50 EFAA O=C(c1ccc(CO)nc1)N1CC[C@@H](CSc2ccccc2)C1 1411860346 COQYCUGSAHZMBO-CQSZACIVSA-N 328.437 2.828 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)C2CC2)C1 1776002703 SHMJOADGAQNITJ-HIFRSBDPSA-N 336.819 2.950 0 50 EFAA C[C@@H]1CCCN1CCNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 897504393 WTDBFJJYMCRPMA-MTNOOBJLSA-N 337.508 2.586 0 50 EFAA CCC1CCC(N(C)C(=O)c2cc(N3CCOCC3)ccn2)CC1 275857577 YQGATSUNDQPFMQ-UHFFFAOYSA-N 331.460 2.959 0 50 EFAA O=C(NCCNc1ccccn1)N[C@H]1CCOC2(CCCCC2)C1 170047207 ONELSARBOPWURE-HNNXBMFYSA-N 332.448 2.675 0 50 EFAA O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC1(Cl)Cl 170645146 NTHYXRIZSMGTMF-GXSJLCMTSA-N 342.144 2.747 0 50 EFAA CCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)cc1 170641951 BMWCLMAPDBFJJK-UHFFFAOYSA-N 337.363 2.639 0 50 EFAA COc1coc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1=O 407955113 IOTLYSKUNJZUDT-GFCCVEGCSA-N 333.306 2.699 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(N[C@H]2CS[C@@H](C(C)C)C2)CC1 408514461 HPLDIWUYYNWXPW-HZPDHXFCSA-N 348.578 2.556 0 50 EFAA COC(=O)c1ccc(NC(=O)c2ccc3nsnc3c2)c(OC)c1 408514244 ANJHVFCTTWMTBO-UHFFFAOYSA-N 343.364 2.739 0 50 EFAA Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2cc(C)n(C)n2)c1 676028450 WOYFYBXHAREEOK-UHFFFAOYSA-N 344.440 2.505 0 50 EFAA O=C(CCC(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1)c1ccccc1 187682955 QEKRGILTEPMMIP-IRXDYDNUSA-N 343.448 2.946 0 50 EFAA CCc1ccccc1S(=O)(=O)Nc1nncn1-c1ccccc1 188121457 FFZPFKRSSALOQU-UHFFFAOYSA-N 328.397 2.631 0 50 EFAA Nc1cc(CN2CCO[C@@H](c3cccc(Br)c3)C2)ccn1 191467147 YKPMFMRHBDEDII-OAHLLOKOSA-N 348.244 3.000 0 50 EFAA COC(=O)[C@@H](Sc1nnnn1C)c1ccc(Cl)c(Cl)c1 191483173 PRBTYBKHPZDBHS-VIFPVBQESA-N 333.200 2.523 0 50 EFAA COCCC1(C(=O)Nc2nnn(Cc3ccccc3F)c2C)CCC1 192373869 XDYQMKUQXSQLQO-UHFFFAOYSA-N 346.406 2.919 0 50 EFAA O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@H](O)c1ccccc1F 755472366 HUZBYVQYGQLAKT-INIZCTEOSA-N 349.789 2.806 0 50 EFAA Cc1csc2c(N3CCCC[C@H](N4CCN(C)CC4)C3)ncnc12 192711656 LAOHCSYNGKCJMQ-HNNXBMFYSA-N 345.516 2.606 0 50 EFAA Cc1ccc(C(=O)N2CCC(N[C@H](C)c3ccnn3C)CC2)cc1 192809973 BPBPORJWUOTUDK-OAHLLOKOSA-N 326.444 2.684 0 50 EFAA COc1ccc2c(c1)OCCN(CCc1ccccc1C(=O)O)C2 652446455 FCLXNCALHMJTOJ-UHFFFAOYSA-N 327.380 2.831 0 50 EFAA CC(C)(O)C1CN(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)C1 656199639 XHMWADDZXLILIM-NSHDSACASA-N 328.334 2.504 0 50 EFAA Cc1ccc(C2(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1529153716 UJZMGGFDCYZBAZ-MJGOQNOKSA-N 336.435 2.796 0 50 EFAA CCC1(CC)CN([C@H](C(=O)O)c2cc(OC)ccc2OC)CCO1 1529125994 JLQIWGMZURIFME-INIZCTEOSA-N 337.416 2.721 0 50 EFAA O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccnc1 1192319 URJYJFPPSIXNQV-ZROIWOOFSA-N 339.376 2.757 0 50 EFAA Cc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 5756198 WWKSLCXRNRRYEO-OAHLLOKOSA-N 346.452 2.638 0 50 EFAA Nc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(Cl)cc1 11692977 JNLFMZNEZMAMLV-UHFFFAOYSA-N 331.738 2.894 0 50 EFAA Cc1ccc(N[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1C 11822041 HULPKPPQVZBOEV-QGZVFWFLSA-N 345.468 2.964 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1F 11935265 YOZIVAKQQRRXKZ-AWEZNQCLSA-N 331.391 2.961 0 50 EFAA Cc1ccccc1-n1cc(CN[C@@H]2CCCN(c3ncccn3)C2)cn1 12594177 BGLQEDPAFGZRAV-GOSISDBHSA-N 348.454 2.729 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 1857531992 XPTDPAVYCLIJPC-VYDXJSESSA-N 349.402 2.834 0 50 EFAA O=C1C[C@@H](Cn2ccnc2-c2ccnn2-c2ccccc2)CN1C1CC1 1857666490 HVZHVURDCSORBB-HNNXBMFYSA-N 347.422 2.747 0 50 EFAA CCC(CC)n1nc(C(=O)N[C@H]2CCN(CC(F)F)C2)cc1C 416355220 SHZHUUFLQIVBSU-LBPRGKRZSA-N 328.407 2.622 0 50 EFAA Cc1c(Cl)c(C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)nn1C 421573653 JGGIJGFYLOVEFC-CLAHSXSESA-N 339.848 2.876 0 50 EFAA Cc1cccc(C)c1OCCN1CCCN(c2cccnn2)CC1 118005657 OKKFBGPLZCEZKI-UHFFFAOYSA-N 326.444 2.685 0 50 EFAA CCCn1cc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328656259 ZESJVUGFKLEZIU-OALUTQOASA-N 327.476 2.813 0 50 EFAA C[C@@H](CN(C)C(=O)C1(c2ccc(Cl)cc2)CCOCC1)C(=O)O 237370834 WRRWSVJLERBQLS-LBPRGKRZSA-N 339.819 2.567 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 238088722 BHLBYKBSDQYOBU-DLBZAZTESA-N 327.355 2.986 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 242302447 YSRPCQIKLNQLHW-VNQPRFMTSA-N 341.411 2.896 0 50 EFAA O=C(NCc1nncn1C1CC1)N[C@@H](c1ccccc1)C(F)(F)F 133745740 JVTYZLXGRVXGGS-ZDUSSCGKSA-N 339.321 2.716 0 50 EFAA CCc1ccc2ccccc2c1CN1C[C@@H]2COC[C@]2(C(=O)O)C1 903409589 WEIRYSFFRJNIBQ-OXQOHEQNSA-N 325.408 2.935 0 50 EFAA O=C(c1ccnc(-n2cncn2)c1)N1CCCCC[C@H]1C(F)(F)F 906185836 YZGGDFQREIKVLA-LBPRGKRZSA-N 339.321 2.609 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)c1cnc(C(C)(C)C)nc1)[C@@H]2C 807330892 GQIOKNYDZDTDCA-GFCCVEGCSA-N 342.447 2.706 0 50 EFAA CCCCC1(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)CC1 830227965 CSYLBIUAZHRKAM-UHFFFAOYSA-N 342.443 2.888 0 50 EFAA Cc1nc(CN2CCCN(Cc3nc(C(C)C)ns3)CC2)oc1C 929557205 CGKPUXLYIKBSAW-UHFFFAOYSA-N 349.504 2.974 0 50 EFAA CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CC2OCCCO2)CO1 855334581 QCESHSRKDCPWMP-MRXNPFEDSA-N 333.428 2.736 0 50 EFAA CC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccccc1-n1cccc1 2325766852 POKUZGUPPVQMIT-IBGZPJMESA-N 339.439 2.837 0 50 EFAA CCc1cnc(NC(=O)[C@H]2Cc3cc(Br)cnc3C2)o1 2325774324 JRNYNPYEWAJVNT-VIFPVBQESA-N 336.189 2.748 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3cnc(CN)s3)cc2)c1C 2325824798 QHYOIJMVUCQUGI-UHFFFAOYSA-N 327.413 2.657 0 50 EFAA O=C(Oc1cccc(F)c1)[C@@H]1CCCCN1C(=O)c1cccnc1 151461542 BAABZSDVXDREKN-INIZCTEOSA-N 328.343 2.821 0 50 EFAA CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCCC4)c1N 126162 PMNXANDYYIYVSN-UHFFFAOYSA-N 343.412 2.515 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)[C@H]2COc3ccccc3O2)c1 339626 YDAFQQABNUKMCN-MRXNPFEDSA-N 327.336 2.560 0 50 EFAA Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 450245 QSDMHOAEIDKWQL-UHFFFAOYSA-N 337.124 2.701 0 50 EFAA CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 2179271 QWVASEFLPWZGJK-UHFFFAOYSA-N 346.452 2.793 0 50 EFAA CCN(CCNC(=O)c1cccnc1N(C)C)c1ccccc1C 343179728 ZQSODDKBNDKTGY-UHFFFAOYSA-N 326.444 2.712 0 50 EFAA COc1ccc(CN(C)Cc2cccc3ncnn23)c2cccnc12 2356147863 ULMKLPQYCDTOFD-UHFFFAOYSA-N 333.395 2.918 0 50 EFAA COc1cc(CNc2nnnn2C)ccc1OCc1cccc(C)c1 4998036 XXKVXHUHYRWPFR-UHFFFAOYSA-N 339.399 2.718 0 50 EFAA COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c1 6704174 SQMAGAQMGDQGQI-UHFFFAOYSA-N 335.381 2.591 0 50 EFAA CC(C)CN1CCC[C@H](CNC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)C1 246567806 YKKDXCQJHQWWDZ-IAGOWNOFSA-N 347.507 2.667 0 50 EFAA Cc1ocnc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225517314 UMMHFLOJEMJQLQ-QWHCGFSZSA-N 340.301 2.950 0 50 EFAA COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 52537533 SPSHLRKZYICJCO-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C)CC2 246954552 FUHNKABWXFXHOX-YDZRNGNQSA-N 343.467 2.877 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CCc3c(C)noc3C)CC2)n1 116668237 NMTVTYCXPYZATG-UHFFFAOYSA-N 342.443 2.713 0 50 EFAA COc1cc(-c2noc(C[C@H]3CCCC(=O)N3)n2)ccc1OC(C)C 349911860 XKLCAKJIVDHFQS-CYBMUJFWSA-N 345.399 2.744 0 50 EFAA Cc1ccc([C@@H](CNC(=O)Cn2nc(C)cc2C)N2CCCC2)cc1 143182210 XTPKIBOVBZTCDX-LJQANCHMSA-N 340.471 2.762 0 50 EFAA Cc1ccc2c(CC(=O)NCc3csc(C)n3)cc(=O)oc2c1 67770628 IHLMFJQAWCNCGO-UHFFFAOYSA-N 328.393 2.725 0 50 EFAA CCc1ncc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cn1 119087312 FTFVQPHFGOHIKE-GFCCVEGCSA-N 347.369 2.718 0 50 EFAA C[C@@H]1[C@@H](NCC[C@@](O)(c2nccn2C)C(F)(F)F)CCC[C@H]1C 252485862 BEOLPMWWEFEESA-UKTARXLSSA-N 333.398 2.974 0 50 EFAA COC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 252452686 WGUYHCJMCYVRQR-ZIAGYGMSSA-N 333.432 2.858 0 50 EFAA O=C(C[C@@H]1C=CCC1)N1CCCN(C(=O)c2cccc(F)c2)CC1 119424814 GNTNYUPTVUSXJL-OAHLLOKOSA-N 330.403 2.857 0 50 EFAA C[C@@H](O)CNc1cc(NCC(c2ccccc2)c2ccccc2)ncn1 354244426 PHVHEQZJBBLMEM-MRXNPFEDSA-N 348.450 3.513 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCCc3nccnc32)cc1 72425403 UKIDFFPXALBBLW-KRWDZBQOSA-N 339.439 2.988 0 50 EFAA Cc1cccc(OC[C@H](O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 229923862 HHGJCVARVTVKHG-IAGOWNOFSA-N 329.444 2.646 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCCN2[C@@H]1c1cccc(OC)c1 4342655 RLIXBGPJCVIAOA-OAHLLOKOSA-N 332.425 2.992 0 50 EFAA O=C(O)C[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 5770617 IOUSJWHTZGQZII-AWEZNQCLSA-N 325.320 2.587 0 50 EFAA COc1ccc(C2=NO[C@H](C(=O)N(C)c3ccccc3)C2)cc1OC 6738566 RKNULNDLGFAAEL-SFHVURJKSA-N 340.379 2.860 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN(c4nccn5cnnc45)C3)nc2c1 253428441 JXKQRHVRGJDVAR-CYBMUJFWSA-N 333.399 2.693 0 50 EFAA CCOc1ccccc1CNC(=O)c1ccoc1C1(O)CCOCC1 253419395 MYYMYGRANPNLLV-UHFFFAOYSA-N 345.395 2.606 0 50 EFAA Cc1noc([C@@H](N=c2nc(C(C)(C)C)[nH]s2)C2CCOCC2)n1 328610653 IRIPJMOGLAWPSN-NSHDSACASA-N 337.449 2.529 0 50 EFAA C[S@](=O)c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1 356721309 ACFHYLANSJAZEF-QFIPXVFZSA-N 346.433 2.773 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc2cn[nH]c12 328644523 RSLJKSSQDXKCTF-MAUKXSAKSA-N 325.416 2.647 0 50 EFAA C[C@H](c1ccc(Cl)cc1)n1ccc2c(cnc3ncnn32)c1=O 38784269 YFGJYRCTGOYPTM-SNVBAGLBSA-N 325.759 2.702 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc3ccccc3o2)C1 360001712 WKAJUWOBIYOZAY-LBPRGKRZSA-N 325.372 2.893 0 50 EFAA COc1ccccc1C[C@H]1CCCN1Cc1nnnn1C(C)(C)C 331512544 XYVSEDXLRPADNC-OAHLLOKOSA-N 329.448 2.644 0 50 EFAA O=S(=O)(N[C@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 72152738 CRPBWWCPFCBHDF-INIZCTEOSA-N 348.443 2.769 0 50 EFAA COC(=O)c1cc2c(=O)n(Cc3ccc(OC)cc3)ccc2nc1C 36369978 KSVRCXCKXORFDB-UHFFFAOYSA-N 338.363 2.548 0 50 EFAA biogenic CCc1ccc(O)c(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1 332138021 QMFJRGHYFMXSLY-OAHLLOKOSA-N 339.439 2.869 0 50 EFAA Cc1nc(C)c(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)s1 77424610 RWOPDKFEMSFVQC-MRXNPFEDSA-N 329.469 2.889 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCc1cccs1 72468957 CQQDUJNKCFRRKK-KRWDZBQOSA-N 349.544 2.603 0 50 EFAA C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H]1C 241630921 PMONLRITBCQAMZ-NCOADZHNSA-N 335.492 2.855 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@](C)(O)CC2)nn1-c1cccc(F)c1 376082091 NPUFSPBFBSEOFO-SFHVURJKSA-N 346.406 3.089 0 50 EFAA CCSc1ncc(CN(C)C[C@@H]2COc3ccccc3O2)cn1 215968249 GJJNYQZNZKHAFG-CQSZACIVSA-N 331.441 2.860 0 50 EFAA COC[C@@H]1CN(C(=O)c2cc(F)cc3cccnc23)CC(C)(C)O1 285460638 KDQPFOLSHHXHSH-AWEZNQCLSA-N 332.375 2.640 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)NCc1noc3c1CCCC3)O2 288248989 OSUPRXXYXZHCHZ-GOSISDBHSA-N 326.396 2.872 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1 176020049 VARAORPNDMWOLL-OLZOCXBDSA-N 347.394 2.534 0 50 EFAA O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccccn2)CC1 20606745 TWIVMYCJEISZOH-UHFFFAOYSA-N 341.480 2.980 0 50 EFAA O=C(CCNC(=O)c1ccccc1F)N[C@@H]1COC2(CCCCC2)C1 426421102 JHVAVKXFIIRKPZ-AWEZNQCLSA-N 348.418 2.554 0 50 EFAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263565602 FPCHQAFBIGGBKJ-RHSMWYFYSA-N 332.444 2.902 0 50 EFAA O=C(CSc1ccc2nncn2n1)Nc1ccc(F)c(Cl)c1 44893820 AFTWGPBKZMHDES-UHFFFAOYSA-N 337.767 2.648 0 50 EFAA Cc1nnc(CN(C)C(=O)NC[C@]2(c3ccccc3)CC2(C)C)o1 426428379 ZPSHXSPLDJOVNC-SFHVURJKSA-N 328.416 2.887 0 50 EFAA CCc1nc(C)sc1C(=O)N(CCOC)Cc1nccs1 426548724 CTPVUUORGWZZKU-UHFFFAOYSA-N 325.459 2.759 0 50 EFAA Cc1ccc(-n2ncc3c2CCC[C@H]3NS(=O)(=O)C2CC2)cc1C 91519237 YPAJJBOIBAAZLZ-QGZVFWFLSA-N 345.468 2.948 0 50 EFAA Cc1cc(C)n(CCC(=O)NC[C@@H]2CCOc3ccccc3C2)n1 97797220 QZXQRLFVVLFARB-MRXNPFEDSA-N 327.428 2.648 0 50 EFAA O=C(COc1ccc(F)cc1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91987963 LOMRSRVBQNLFNE-KRWDZBQOSA-N 343.398 2.788 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3cccc(Cl)c3n1C)C2 91713474 SHZYXBZTTIATPV-GXTWGEPZSA-N 331.847 2.998 0 50 EFAA COc1ccc(Cn2cc(-c3ncc(F)c(N(C)C)n3)cn2)cc1 426690691 ORGKSLSZBHDKGR-UHFFFAOYSA-N 327.363 2.602 0 50 EFAA CC(=O)c1cnc(N[C@H](CCn2cncn2)c2ccccc2)nc1C 92028596 DRYWFDVZMJCOJG-QGZVFWFLSA-N 336.399 2.823 0 50 EFAA O=C([C@@H]1CCCO1)N1CCC(c2nccn2Cc2ccccc2)CC1 95505788 LKEAECSOOVNQGF-SFHVURJKSA-N 339.439 2.816 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)Cc3nc(C)sc3C)CC2)nc1 244633217 FZFDSOXLPQMQCB-UHFFFAOYSA-N 345.468 2.516 0 50 EFAA COCC1(CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)CCCC1 584886423 DVTIHYUDXSEDSJ-UHFFFAOYSA-N 342.443 2.727 0 50 EFAA O=C(NCCCSCc1ccco1)NCC1(O)CCCCC1 584895282 WXQLHFSWQPDBIM-UHFFFAOYSA-N 326.462 2.897 0 50 EFAA O=C(NCCN1CCCc2ccccc21)[C@H](O)c1cccc(Cl)c1 825578284 SUVDUHOGEKCWFS-GOSISDBHSA-N 344.842 2.942 0 50 EFAA Cc1oc(CN(C)C(=O)[C@@H]2CCOc3ccccc32)cc1C(=O)O 268942063 SLUSEFACDPEGFM-CQSZACIVSA-N 329.352 2.811 0 50 EFAA Cc1cc(C(=O)N[C@@H](CO)Cc2cccs2)oc1Br 1875296875 SMLULHZPFILFLG-SECBINFHSA-N 344.230 2.745 0 50 EFAA Cn1nc([C@H]2CCCN2)cc1C(=O)Nc1cc(-c2cccs2)[nH]n1 1875318084 DMSBMFMZTMXQPZ-SNVBAGLBSA-N 342.428 2.549 0 50 EFAA CCc1cnn(C)c1NC(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1875321372 GLYZCFMGZXIPHE-HNNXBMFYSA-N 341.415 2.968 0 50 EFAA Cc1cc2c(N[C@@H]3C[C@H](O)[C@H]3n3cccn3)nc(C3CC3)nc2s1 1875404226 ACPGLTZTNGJWSA-RDBSUJKOSA-N 341.440 2.860 0 50 EFAA Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)nc(C)n1 952873713 YRXFTVUAWRFSBH-UHFFFAOYSA-N 325.368 2.627 0 50 EFAA CNC(=O)CCN(C)C(=O)C[C@@H](Cc1ccccc1)c1ccco1 952984041 UACSJSNNFRFMJS-MRXNPFEDSA-N 328.412 2.591 0 50 EFAA CC[C@H](NC[C@@H]1C[C@H](OC)CN1c1cc(C)ncn1)c1ccncc1 1775960322 FWCDHRHPLIPHGY-BZSNNMDCSA-N 341.459 2.515 0 50 EFAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC2CCCCCC2)cc1 1565516004 QTVVLNOCXPAVME-ROUUACIJSA-N 332.444 2.634 0 50 EFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)Nc1ccnn1-c1ccccc1)C2 1565516317 JVGXTIFJHDOLPF-ZBFHGGJFSA-N 325.416 2.573 0 50 EFAA O=C(Cc1nc(C(F)(F)F)cs1)NC[C@H](O)C1CCCCC1 1362231750 LHFLIZYDVGZXOR-JTQLQIEISA-N 336.379 2.762 0 50 EFAA CO[C@@H](C1CC1)[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 408520737 VEFGNOKTXPYUCK-BDJLRTHQSA-N 331.441 2.677 0 50 EFAA CC(C)c1ccc(C[C@H](C)NC(=O)N(C)CC2(O)CCOCC2)cc1 186502508 KGMSHQWYYQPHRJ-INIZCTEOSA-N 348.487 2.924 0 50 EFAA CCCn1cc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)nn1 681359063 SPZQDXGBZLHTIG-UHFFFAOYSA-N 325.416 2.626 0 50 EFAA CC(C)CCc1nc(CN2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cs1 277628748 BCJPVPCLOVEZES-RDJZCZTQSA-N 348.516 2.673 0 50 EFAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCC([C@@H]2CCCO2)CC1 170603217 DKGVOFHAIKSPOE-SQNIBIBYSA-N 346.475 2.967 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@@H](C1CCC1)[C@@H]1CCCO1 635519015 IJBWUJAZADVSJV-HOTGVXAUSA-N 332.400 2.532 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC(O)(c2ccccc2Cl)CC1 192405371 JTQDLGPLNALAGQ-UHFFFAOYSA-N 348.830 2.998 0 50 EFAA Cc1cc([C@H]2CN(c3ncnc4onc(C)c34)CCO2)ccc1F 192516687 COCYAPJSCKTSKT-CQSZACIVSA-N 328.347 2.952 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2CCC[C@H]2C1 194448382 COWPMABXBYXKIK-GBESFXJTSA-N 327.472 2.950 0 50 EFAA Cc1nnsc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1327507521 ZOVDRKSAMVGPRC-MRVPVSSYSA-N 332.454 2.791 0 50 EFAA Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)cc12 194694803 YJUMSHBZXWOHQC-VIFPVBQESA-N 336.351 2.517 0 50 EFAA O=C(O)CCc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1 653280417 UEPJJQMZHZANBC-AEFFLSMTSA-N 340.379 2.815 0 50 EFAA Cc1nn(C)cc1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529181730 VJZUCPRBIZUFLJ-MSOLQXFVSA-N 327.428 2.967 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1O 210200605 NVSXJBINBNZLGY-KBPBESRZSA-N 345.420 2.776 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cscn3)C2)N1Cc1ccccc1 216223332 NYRYWULMPBMPBM-WBVHZDCISA-N 327.453 2.766 0 50 EFAA COc1cccc(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)c1 1772806880 GORJHUSFOXGNQL-UHFFFAOYSA-N 335.787 2.812 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](C3(O)CC3)C1)n2C 1772807888 VEQGMLHKOODISY-CQSZACIVSA-N 328.412 2.564 0 50 EFAA Cc1cc(NC(=O)Cc2c(C)noc2C)ccc1N1CCCC1=O 11746261 GYWGHBUJLOPYSJ-UHFFFAOYSA-N 327.384 2.908 0 50 EFAA Cc1oc(-c2cccc3ccccc23)nc1CN(CCO)CCO 12301770 NPUSOPGCSHLXFY-UHFFFAOYSA-N 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C[C@@H](NC(=O)c1cccn2cnnc12)c1cccc(OC(F)F)c1 1875309099 RBVFRCIGZGGBTF-SNVBAGLBSA-N 332.310 2.822 0 50 EFAA CC(C)(C)N1C[C@H](C(=O)NC2(c3cc(F)ccc3F)CC2)CC1=O 952861390 FDHDNDSEOYSCPB-LLVKDONJSA-N 336.382 2.717 0 50 EFAA Cc1nc(-c2ccc(NC(=O)[C@@H](C)CN3CCCCC3)cc2)n[nH]1 952869070 VVTYZIPNYGOPQE-ZDUSSCGKSA-N 327.432 2.841 0 50 EFAA Cc1cc(C)c(C)c(OCCN(C)C(=O)[C@H](C)Cn2cccn2)c1 952988433 RIHQDHMDMLCDSO-MRXNPFEDSA-N 329.444 2.982 0 50 EFAA CCc1cccnc1-c1noc([C@H]2OCC[C@H]2Cn2ccnc2)n1 886082282 SEDIKXKJHVNDOM-ZFWWWQNUSA-N 325.372 2.668 0 50 EFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1ccc(-n2cccn2)cc1 886071896 PANKRIXOTPHZQT-RBUKOAKNSA-N 337.427 2.534 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 886068607 WXAJKDNGPWBDMO-OLZOCXBDSA-N 347.381 2.849 0 50 EFAA CN1C(=O)CC[C@H](CN[C@@H]2CCCc3occc32)[C@H]1c1nccn1C 886080008 JKORBKUFIAKHDT-SIIHOXLZSA-N 342.443 2.590 0 50 EFAA Cn1ccc2c(C(=O)N3CCOc4ccccc4[C@@H]3CO)cccc21 887109561 NZYLHJMTWVZNJW-SFHVURJKSA-N 336.391 2.747 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC[C@@H](S(C)(=O)=O)C2)n1 893191453 NGZKPDVQGNLZHP-OAHLLOKOSA-N 346.456 2.542 0 50 EFAA CCc1nc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)c2ccsc2n1 895301351 GIVFUGGLTHBTSL-GWCFXTLKSA-N 344.444 2.870 0 50 EFAA CCNC(=O)CCC(=O)N1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1775985429 YKUKQVZMZDWADQ-INIZCTEOSA-N 340.427 2.657 0 50 EFAA COc1cc(Br)c(CN[C@@H]2CCO[C@H]2C)cc1OC 134237240 CBHZMUUXPLSMRD-JOYOIKCWSA-N 330.222 2.733 0 50 EFAA CC/C=C(\C)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 222230394 OLDYPNOHRITAJN-COSNYCCFSA-N 327.384 2.993 0 50 EFAA COc1cc(CCNC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)ccn1 1364351899 MKYBXPGXJFRCHL-IAGOWNOFSA-N 347.459 2.623 0 50 EFAA Cc1cccc(CNC(=O)CSc2ncn(-c3ccccc3)n2)c1 110141560 ZZBKQGUNZUIIMX-UHFFFAOYSA-N 338.436 2.984 0 50 EFAA O=C1CC[C@@](C(=O)Nc2ccc3c(c2)CCC3)(c2ccccc2)CN1 408517005 KQHZAXZVLOUCHR-NRFANRHFSA-N 334.419 2.962 0 50 EFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)CC1 408504829 ZFISYZCGVBJKOK-NSHDSACASA-N 329.368 2.906 0 50 EFAA CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)CCO1 271696669 PIZATXIFXNOJNI-FHWLQOOXSA-N 330.472 2.971 0 50 EFAA Cc1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)n1 167304833 PMUTWHORGQEFBL-QGZVFWFLSA-N 336.395 2.547 0 50 EFAA CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cn3ccccc3n2)C1(C)C 274253930 YDCHMWDMHNCTIM-CABCVRRESA-N 330.432 2.726 0 50 EFAA Cc1n[nH]c(C)c1CCc1nc(-c2cccnc2OCC(F)F)no1 277830048 IFGODHRURQXSCB-UHFFFAOYSA-N 349.341 2.901 0 50 EFAA O=C(NCCc1ccc(Br)o1)N1CCOC2(CCC2)C1 170058859 MVPAYMQZUBQTIF-UHFFFAOYSA-N 343.221 2.549 0 50 EFAA CC(C)n1ncnc1CN1CC[C@H](C)N(Cc2ccccc2)CC1 279921054 GAODRLFCGRRXOH-KRWDZBQOSA-N 327.476 2.955 0 50 EFAA CC(C)(C)n1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)nn1 191201009 UPEOQMYIIMIHPP-HNNXBMFYSA-N 341.459 2.884 0 50 EFAA C[C@H]1C(=O)NCCCN1C(=O)N[C@H](C)c1ccc2ccccc2c1 191543123 UPRJDURFGQOIDG-KGLIPLIRSA-N 325.412 2.821 0 50 EFAA C=CC(=O)N(CC)CC(=O)N1CCC(c2ccc(F)cc2C)CC1 908339390 MDAZUGJDUVITLB-UHFFFAOYSA-N 332.419 2.875 0 50 EFAA CN1CC[C@@](C)(CN(C)C(=O)C2CCN(C3CCCCC3)CC2)C1 1506418777 SVGOWNYMUUKWEV-HXUWFJFHSA-N 335.536 2.831 0 50 EFAA CN(Cc1ccc2ccccc2n1)c1nccc(N2CCC[C@@H](O)C2)n1 1529186387 CVGZLZKSNLTGRV-QGZVFWFLSA-N 349.438 2.622 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2ccccn2)CC1 12407270 SFHPVTQOVKPGLG-UHFFFAOYSA-N 334.423 2.876 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCN(C)C[C@@H]2C(C)C)c(F)c1 19770697 IBBHDIMAOZJZFV-GOSISDBHSA-N 346.450 2.996 0 50 EFAA Cc1ccc(CN(C)C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)o1 154552902 VJPZPRYMXCXGIA-LJQANCHMSA-N 342.439 2.838 0 50 EFAA Cc1ccc(Cl)c(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c1F 1857738586 OPUHXQUWOWGBOS-TZDHZFECSA-N 325.811 2.759 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1 124305565 ROCBHDJLIVUFMH-PSASIEDQSA-N 338.335 2.539 0 50 EFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 240786047 HZVSSFTWLJEYSZ-NRSFXHEJSA-N 332.444 2.816 0 50 EFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C3CCCCC3)C[C@@H]21 247971282 UWXGEXSGTGTOMA-LPHOPBHVSA-N 331.412 2.891 0 50 EFAA CC(C)(C)[C@H]1CCc2sc(C(=O)NCC3(CO)COC3)cc2C1 134093256 ZLVQIEXNMMOHJN-ZDUSSCGKSA-N 337.485 2.638 0 50 EFAA CCc1ccc(O)c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 151494589 MATJOVKTWYHLOY-GOSISDBHSA-N 327.380 2.874 0 50 EFAA CC(C)[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)C2CC2)CC1 158227724 OYXYPEUSKIZRSE-IBGZPJMESA-N 342.483 2.972 0 50 EFAA Cc1nn(C)c2cc(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc12 497229697 CXOFBOLUQBCYLM-CQSZACIVSA-N 344.415 2.830 0 50 EFAA COc1ccnc(N(C)C(=O)C[C@H]2CC(=O)Nc3ccccc32)c1 905969328 ZQADDOJISPVGLI-GFCCVEGCSA-N 325.368 2.569 0 50 EFAA C[C@](O)(Cn1cnc2c(-c3ccccc3)nsc2c1=O)C(F)F 905933988 MSDDEPFCDRYCJL-HNNXBMFYSA-N 337.351 2.536 0 50 EFAA Cc1nc2n(n1)C[C@@H](C(=O)N1CCc3ccc(Cl)c(C)c3C1)CC2 828688167 CCPAKXWNXMBTAJ-AWEZNQCLSA-N 344.846 2.696 0 50 EFAA Cc1nc([C@H]2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)no1 930246642 RPVCTADIVDRFTK-RBSFLKMASA-N 335.354 2.800 0 50 EFAA CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1nccs1 932440864 UYIUGOAFPBZDMW-UHFFFAOYSA-N 344.362 2.900 0 50 EFAA CC(C)n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nccn2c1 932611756 BOOGSRYQJGLDOQ-RHSMWYFYSA-N 339.399 2.828 0 50 EFAA CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCCCn2ccnc2)C1(C)C 1775993650 UISRDPMULJYBIE-HUUCEWRRSA-N 336.480 2.802 0 50 EFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1ccccc1 3037032 SSMZKHOWVNTDNL-INIZCTEOSA-N 326.421 2.848 0 50 EFAA c1ccc(-c2ccc(N3CCN(Cc4cscn4)CC3)nn2)cc1 2325718819 YUCFEHNUFFOWMJ-UHFFFAOYSA-N 337.452 2.922 0 50 EFAA O=C(NCc1ccccc1Oc1ccc(F)cc1)N1CCNCC1 2325756406 HTWUFOARZJPNNG-UHFFFAOYSA-N 329.375 2.733 0 50 EFAA C[C@@H]1NCCn2c(C(=O)NCCc3ncc(-c4ccccc4)[nH]3)ccc21 2325796172 XJVIPBCSKKTMKL-AWEZNQCLSA-N 349.438 2.515 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 390742 VEVLFGXPJHEIDQ-CQSZACIVSA-N 332.425 2.609 0 50 EFAA Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1 1053505 IACKEIMCXWSACL-UHFFFAOYSA-N 325.368 2.947 0 50 EFAA COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 4295418 RZBZRGUYKYSCCC-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA COc1ccc(O[C@H](C)C(=O)NCCCN2CCC(C)CC2)cc1 10541020 ZAWZDPTUOBJVHW-MRXNPFEDSA-N 334.460 2.701 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c12 115496425 FNQUBGVRUCDTBD-NWDGAFQWSA-N 327.363 2.740 0 50 EFAA Cc1nnnn1-c1ccc(CC(=O)N[C@@H](C)C2=CCCCC2)cc1 67788377 MOEGLOIATCDOHA-ZDUSSCGKSA-N 325.416 2.518 0 50 EFAA CCn1cc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cn1 248636929 QNDCSEKEBOTZNB-JYJNAYRXSA-N 334.464 2.638 0 50 EFAA Cc1nccc(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1 67908810 NBXQBOYWZNRMLP-UHFFFAOYSA-N 342.447 2.808 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc(O)cc3Cl)C2)n1 136195098 PYKRMVGSWVYDJP-GFCCVEGCSA-N 335.791 2.686 0 50 EFAA CC(=O)N1CCc2ccccc2[C@H]1Cc1nc(-c2ncoc2C)no1 351070734 RSTUBEDFCGFQJD-OAHLLOKOSA-N 338.367 2.721 0 50 EFAA C[C@@H](C(=O)Nc1nccs1)N(C)Cc1noc(-c2ccccc2)n1 65409380 RCKKNFDAPQDVIO-NSHDSACASA-N 343.412 2.652 0 50 EFAA CCCc1cc(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)ccn1 65408801 QNJFKAJUPBXSAL-GFCCVEGCSA-N 337.383 2.970 0 50 EFAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1O 344736 KVUBGPRJOLODMZ-UHFFFAOYSA-N 327.745 2.545 0 50 EFAA CCOc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1OCC 2730033 ARACFQIIJDHDAS-UHFFFAOYSA-N 337.807 2.764 0 50 EFAA biogenic,in-vitro COc1cc(OC)c(C(=O)Nc2nnc(C3CC3)s2)cc1OC 6735495 FJUPPDOHPWZYME-UHFFFAOYSA-N 335.385 2.694 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1c(C)ccn(C)c1=O 253432892 PMXJYVMVASJNNN-CQSZACIVSA-N 343.431 2.669 0 50 EFAA CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2cccc(C)n2)C1 253419910 DICHZVCPRUJTCF-QGZVFWFLSA-N 341.459 2.738 0 50 EFAA Cc1ccc2c(c1)OCCN2C(=O)[C@@H](C)Cc1c(C)nn(C)c1C 173308647 NSVZNXYZTUGWNE-ZDUSSCGKSA-N 327.428 2.950 0 50 EFAA CC(C)C(=O)N1CCC(NC2CCN(c3ccccc3)CC2)CC1 150928217 XQJMVQLGSWEPKJ-UHFFFAOYSA-N 329.488 2.892 0 50 EFAA Cc1cc(N2C[C@H](C(=O)N[C@H]3C[C@H](C)O[C@H](C)C3)CC2=O)ccc1F 241774062 RMSYGKOABMEEAS-LXTVHRRPSA-N 348.418 2.559 0 50 EFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccccn3)C2)CCC1=O 77319977 HNRMIGRGNLHOGO-HXUWFJFHSA-N 343.471 2.973 0 50 EFAA CN1CC[C@H](CNC(=O)c2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 242273811 YFZDHXWTVBHDHC-IAQYHMDHSA-N 336.798 2.625 0 50 EFAA c1ccc(CCN2CCN([C@H]3CCOC4(CCOCC4)C3)CC2)cc1 77380180 LDAWTQBYEBVQIC-FQEVSTJZSA-N 344.499 2.575 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)CCC(=O)c2cnn(C)c2)cs1 242316992 YWKMLSRGQGBSHK-CQSZACIVSA-N 332.429 2.512 0 50 EFAA O=C(NCCc1nc2c(s1)CCCC2)N1CCC2(CCO2)CC1 367154962 YZQPCYSXZSKVGS-UHFFFAOYSA-N 335.473 2.529 0 50 EFAA Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCNC(=O)C2)cc1 156095479 XODCVIZLQMJUNL-HNNXBMFYSA-N 338.407 2.930 0 50 EFAA CC/C=C/CC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 72121836 DXLUPQOGXZFQBX-QDLOVBKTSA-N 334.847 2.956 0 50 EFAA CNc1nc(C)cc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1 72474932 ZUOJQVJMYPQBTC-QGZVFWFLSA-N 337.471 2.870 0 50 EFAA COCCCCC(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 496173434 VKHSATVPFRQYFC-STQMWFEESA-N 328.453 2.611 0 50 EFAA Cc1nc(O)ccc1C(=O)Nc1ccc(Sc2nncn2C)cc1 130723833 UNSIXLGOBOQAEM-UHFFFAOYSA-N 341.396 2.628 0 50 EFAA O=C(c1cc2ccccn2c1)N1CCC(c2nncn2C2CC2)CC1 174707049 IOQNOULXOYNREK-UHFFFAOYSA-N 335.411 2.886 0 50 EFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(Cc3coc(C)n3)CC2)c1 72433558 WLUUJARFICWBII-UHFFFAOYSA-N 348.374 2.929 0 50 EFAA CN(C)c1nccc(CN2CCC(OCc3ccccc3)CC2)n1 340909693 GVSGZVFUAKHEHM-UHFFFAOYSA-N 326.444 2.724 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(-n2ccnc2)nc1 177141912 RQRTWDJHPISQMC-KRWDZBQOSA-N 336.443 2.955 0 50 EFAA C[C@H]1OCCN(Cc2cccc(C(=O)O)c2)[C@@H]1c1nc(C2CC2)no1 263407099 KHAQVKMPVDICBI-ABAIWWIYSA-N 343.383 2.607 0 50 EFAA O=C(NCCNC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1Cl 292323798 IQLPOMBCBKPJJF-AWEZNQCLSA-N 349.862 2.901 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](CN)C1 178545292 URSYTJJIWJVNSD-STQMWFEESA-N 339.277 2.825 0 50 EFAA O=C(NCc1cc2n(n1)CCCN(C[C@H]1CC=CCC1)C2)C1CCC1 82136705 VXHCSNIHEAZTBR-INIZCTEOSA-N 342.487 2.861 0 50 EFAA CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 179341889 UVDGJTKVEASTIM-XJKSGUPXSA-N 342.399 2.528 0 50 EFAA Nc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91656282 SQBPLZFFRKQSSQ-WCQYABFASA-N 348.497 2.523 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 239310424 IKFTUWICNDCDAF-RNQOJCNYSA-N 345.398 2.684 0 50 EFAA Cc1ocnc1C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 97679758 VSBWEUIUILOLHW-MRXNPFEDSA-N 330.384 2.683 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc2[nH]ncc2c1 95523604 DSSFPOUDSRUHEJ-HNNXBMFYSA-N 326.404 2.996 0 50 EFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ncccc2C1 91663895 UKVMGCVLSDPKLB-SJORKVTESA-N 343.471 2.689 0 50 EFAA Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91973938 NBHURFQOXNOBRC-SFHVURJKSA-N 332.469 2.921 0 50 EFAA COCCOC1CCN([C@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95389304 UHFSGCXYTAVRAO-HNNXBMFYSA-N 345.798 2.732 0 50 EFAA CO[C@H]1CCCOC12CCN(c1ncnc3nc(C)cc(C)c13)CC2 95360653 OMOCVFSXZNDZSJ-HNNXBMFYSA-N 342.443 2.806 0 50 EFAA CCCn1ncc(C(=O)N2CCC(Cn3ccnc3C)CC2)c1C 91859297 GYARAECAXOSZHP-UHFFFAOYSA-N 329.448 2.659 0 50 EFAA COCCN(Cc1ccccn1)C(=O)c1ccc(-c2cc[nH]n2)cc1 96137820 LDZWPNULPGKRHB-UHFFFAOYSA-N 336.395 2.761 0 50 EFAA CCCC[C@@H]1C=CCN1C(=O)c1nccnc1C(=O)N1CCCCC1 97546665 JFOONCAPLMJUSL-OAHLLOKOSA-N 342.443 2.674 0 50 EFAA CSCCC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91563362 NHYOHRFRLMIEFZ-INIZCTEOSA-N 344.484 2.786 0 50 EFAA O=C(CN(Cc1cocn1)Cc1cocn1)NC1CCCCCC1 244626567 FNXREEOZMRDIOU-UHFFFAOYSA-N 332.404 2.504 0 50 EFAA Cc1cn2cc(C(=O)N[C@@H](c3cccs3)[C@H]3C[C@@H](O)C3)ccc2n1 252527842 DMGHOHGPFXNWMB-JKIFEVAISA-N 341.436 2.946 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccc(O)nc1 253535355 MNGIKRZDCSLOCT-SIXWZSSISA-N 349.390 2.577 0 50 EFAA Cc1cc(CC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)on1 299755426 CMTYSWFVLYBDMA-UHFFFAOYSA-N 341.455 2.896 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(F)ccc3F)[C@H]2C1 299792358 FIWIBOFYJVEKAD-ISTRZQFTSA-N 325.355 2.763 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1noc(-c3ccc(C)cc3)n1)CC2 299761461 ROHUFAFPXMQAQN-TXPKVOOTSA-N 343.427 2.549 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCOCC3)C2)no1 299795571 NEPSFDUGLGUELY-OAHLLOKOSA-N 349.475 2.647 0 50 EFAA CC(C)c1nccn1CCCNC(=O)c1cccc2c1OCCO2 828177499 JIPOWWZWYGKGCF-UHFFFAOYSA-N 329.400 2.598 0 50 EFAA COC1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)CC1 584884334 JTZMDWUKZFADPE-QGZVFWFLSA-N 345.487 2.637 0 50 EFAA CC1(c2ccccc2C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)CC1 1875401017 QIZBIGKBXBUUFA-BMGDILEWSA-N 339.439 2.504 0 50 EFAA CC(=O)c1[nH]c2ccccc2c1C(=O)N(C)C[C@H]1CCCC[C@@H]1O 1875278423 YOYDYONQLBZYTO-CJNGLKHVSA-N 328.412 2.994 0 50 EFAA COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)cc1 1875252478 AAELWDSJMNFYDT-UHFFFAOYSA-N 343.383 2.587 0 50 EFAA Cn1cc2cc(-c3ccc(N4C[C@@H](CO)CC4=O)cc3)cc(F)c2n1 1875302119 AOPSPRUDXBVODJ-LBPRGKRZSA-N 339.370 2.725 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)c(OC)c2)CC1 1875365288 AWVQXGPSODGQQV-UHFFFAOYSA-N 346.427 2.846 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H](C)c2sc(CC)nc2C)CC1 1875369489 RECNQSJPRXKZKM-ZDUSSCGKSA-N 349.500 2.958 0 50 EFAA O=c1onc(Cc2ccc(F)cc2)n1Cc1nc(C2CC2)cs1 1875316002 QEVNJVVGMFBTIN-UHFFFAOYSA-N 331.372 2.948 0 50 EFAA Cc1cccc(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1F 952983125 OKUIQLCJYKCTAO-AWEZNQCLSA-N 332.419 2.997 0 50 EFAA COc1ccc(-n2ccnc2CNCCc2c(C)n[nH]c2C)cc1 952988139 BJOYMSAAIMQTLV-UHFFFAOYSA-N 325.416 2.553 0 50 EFAA OC[C@@H](Nc1ccc(C(F)(F)F)nn1)[C@H](O)c1ccc(Cl)cc1 882648701 GRNBZEFUWPQGOK-ZWNOBZJWSA-N 347.724 2.655 0 50 EFAA O=C(c1cc(O)nc2c1CCCC2)N1CCC[C@H](C2CCOCC2)C1 886165638 NOZKEAIINSCZAP-HNNXBMFYSA-N 344.455 2.945 0 50 EFAA CN1C(=O)C(C)(C)COc2ccc(NC(=O)C[C@H]3CCCCO3)cc21 886557808 QCOSXOQWMTVTQV-CQSZACIVSA-N 346.427 2.966 0 50 EFAA COc1cc(OC)c(CN[C@H]2CCC[C@H]2Oc2cnn(C)c2)cc1F 888099440 ZLSVVPFKEJBFCU-JKSUJKDBSA-N 349.406 2.666 0 50 EFAA O=C(Cc1cscn1)N(CCCO)[C@@H]1CCCc2ccccc21 1775992851 WKPFPWLIWUAVDF-QGZVFWFLSA-N 330.453 2.974 0 50 EFAA COc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H]1C(F)F 1773429525 SETNAQPMLFMBTR-NEPJUHHUSA-N 326.343 2.958 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)ccn1)C2 1565508349 PYMGECXSGARCFU-JSGCOSHPSA-N 329.366 2.647 0 50 EFAA CCOc1cc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)ncn1 275533023 DUTDCOVATWNKLH-AWEZNQCLSA-N 347.488 2.599 0 50 EFAA CC1(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 408460540 OZPNJONUBXPIMF-NSHDSACASA-N 346.246 2.745 0 50 EFAA COc1cc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)sn1 408525531 RPTBJXCROKFFAF-NSHDSACASA-N 327.450 2.641 0 50 EFAA Cc1cccc(C(=O)Nc2ncccn2)c1I 221926374 ZJFSJCSBNGHSHO-UHFFFAOYSA-N 339.136 2.642 0 50 EFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2F)c1C 170626463 SEBLXQPBQUZVKX-JSGCOSHPSA-N 348.349 2.982 0 50 EFAA CC1(C)CC[C@H](COC(=O)c2cccc(CN3CCCC3=O)c2)O1 170616651 PWFXCDHSDXQIIR-MRXNPFEDSA-N 331.412 2.923 0 50 EFAA COc1cccc([C@H](C(=O)O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1 634693411 XGISNUNAXNXDMU-DDTOSNHZSA-N 347.333 2.863 0 50 EFAA COc1cccc(Cl)c1CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 189611809 DJYFCBPOIWFYHA-JTQLQIEISA-N 336.823 2.811 0 50 EFAA C[C@@H]1CN(C2CC2)C[C@H]1N=c1nc(-c2cc(F)cc(F)c2)[nH]s1 645192018 FCKJINFIZINKDM-YMTOWFKASA-N 336.411 2.800 0 50 EFAA CC(C)c1nc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cs1 1616071022 ZEIAOAWIVMJBGB-KBPBESRZSA-N 331.441 2.649 0 50 EFAA O=C(Cc1ccc(Cl)cc1)N1CCCN([C@@H]2CCSC2)CC1 1772815598 PGWCUJYADMAUQE-MRXNPFEDSA-N 338.904 2.922 0 50 EFAA COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)O)C(C)C)s2)cc1 206411856 YOSUBBMCSCUBKO-CYBMUJFWSA-N 348.424 2.966 0 50 EFAA O=C1C[C@H]2[C@H](CCN2CC2CCCCC2)N1CCc1ccncc1 1857687169 PJYJRFGJDAWZBJ-OALUTQOASA-N 327.472 2.880 0 50 EFAA O=C(N=c1[nH][nH]cc1-c1ccccc1)c1cccc(Cn2cccn2)c1 1875244498 MKLDPJNPWMYTFU-UHFFFAOYSA-N 343.390 2.996 0 50 EFAA COc1c(CNC(=O)N2CCc3cc(Cl)ccc3C2)c(C)nn1C 225627145 METHITZVTWHVJQ-UHFFFAOYSA-N 348.834 2.658 0 50 EFAA Cc1cnn(C[C@H]2CN(c3ncc(Cl)cc3Cl)CCO2)c1 225819997 JYVLQRPJPLUNFK-GFCCVEGCSA-N 327.215 2.799 0 50 EFAA CC(C)(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1ccncc1 124749378 VFTOPPFTVFYZCI-QGZVFWFLSA-N 346.452 2.501 0 50 EFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(C(N)=O)n1 330865829 CDEQRFKZCXMEIW-UMVBOHGHSA-N 333.432 2.596 0 50 EFAA C[C@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1C(F)(F)F 237538869 CYNBJYDXFAJUPY-MFKMUULPSA-N 345.317 2.511 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nncn1C 252517755 QMVMBOWFDBGIHV-ZMLRMANQSA-N 338.333 2.815 0 50 EFAA COCC[C@H](NC(=O)N1CC(OC)C1)c1cccc(C(F)(F)F)c1 2325797813 VMVGSIDINZSOPK-AWEZNQCLSA-N 346.349 2.823 0 50 EFAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 245316729 KJZIICMAGKMOKZ-SOLBZPMBSA-N 343.471 2.678 0 50 EFAA Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F 223670 DOTMILNGTPIIMY-UHFFFAOYSA-N 325.343 2.562 0 50 EFAA Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 307115 OUQUMWGEIOCMRU-INIZCTEOSA-N 337.375 2.774 0 50 EFAA COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1Br 319167 RUWSQORWAIYGOH-LBPRGKRZSA-N 328.206 2.767 0 50 EFAA COc1ccc(OCc2nn3c(C(F)(F)F)nnc3s2)cc1 2358780 MJLWQBIGCWLLJJ-UHFFFAOYSA-N 330.291 2.792 0 50 EFAA O=C(Nc1ccc(Br)cc1)C(=O)NC1CCCCC1 2892264 CBJBOJDSUBCMSS-UHFFFAOYSA-N 325.206 2.837 0 50 EFAA COc1cc(S(=O)(=O)NCc2cccs2)c(OC)cc1Cl 4667241 UXGZNGPFLXJPRV-UHFFFAOYSA-N 347.845 2.897 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 4842553 XJLWCTPIHZYWPH-UHFFFAOYSA-N 340.351 2.979 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)C[C@H]2CCO)c(F)c1 104524448 LRBPAQBGPXZEQC-QGZVFWFLSA-N 336.451 2.646 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cc(C)cc2C)C1 10302611 MESAAPWBTKPXFI-OAHLLOKOSA-N 338.473 2.612 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225537948 QKUNQQJHYVEJDQ-HUUCEWRRSA-N 329.327 2.503 0 50 EFAA CCCC[C@H](O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 225726525 WPGQDVHKXBJYJG-ZDUSSCGKSA-N 346.258 2.588 0 50 EFAA O=C(O)CC1(NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)CCCCC1 55358225 RGWJJIUJEYZPIZ-OAHLLOKOSA-N 348.443 2.785 0 50 EFAA O=C(Cc1c[nH]c2ccc(F)cc12)NCc1cccnc1-n1cccn1 115331156 UXHVLSHRIKBICD-UHFFFAOYSA-N 349.369 2.747 0 50 EFAA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCCN(C)C1 63845360 ZRQDGVXGBAALMV-INIZCTEOSA-N 340.427 2.593 0 50 EFAA CC(C)n1ccnc1Cn1ccnc1-c1ccc(OCCO)cc1 67847078 WFQVUUGHMFYNCJ-UHFFFAOYSA-N 326.400 2.747 0 50 EFAA CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)n[nH]1 67805714 WBQOGEMYZHQJAN-CQSZACIVSA-N 341.411 2.978 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1F 348270800 YPWUJQQVDIULFK-ZBFHGGJFSA-N 333.334 2.922 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 348261360 PMOKMDDJBCNAGI-CJNGLKHVSA-N 343.333 2.789 0 50 EFAA Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccncn3)C2)cc1C 67879015 SOOIBDFFMQJYHY-SFHVURJKSA-N 338.455 2.735 0 50 EFAA CC(C)CCCn1nc(C2CCNCC2)n(-c2ccccc2)c1=O 67878199 NQHQGVZBTUQFEK-UHFFFAOYSA-N 328.460 2.937 0 50 EFAA Cc1c(NCc2ccccn2)cccc1C(=O)NC[C@H]1CCN(C)C1 67896345 GULMKTKENMHLNV-MRXNPFEDSA-N 338.455 2.684 0 50 EFAA CCc1nnc(NC(=O)NCc2cnn(-c3cccc(F)c3)c2)s1 23231887 VRPHEDDEWVRTLG-UHFFFAOYSA-N 346.391 2.747 0 50 EFAA Cc1ccc([C@@H](NC(=O)NC[C@H](CO)c2cccnc2)C2CC2)cc1 350132681 ZMXSGUYKEBPKNV-RTBURBONSA-N 339.439 2.916 0 50 EFAA CCc1ccc(OCC(=O)OCc2ccnc(-n3ccnc3)c2)cc1 151160908 ZFUCGGJIZNZUAB-UHFFFAOYSA-N 337.379 2.952 0 50 EFAA COc1ccc(OC)c(CC(=O)N2CCCN(C3CCCC3)CC2)c1 77288215 AFQJTIGTJPTQNK-UHFFFAOYSA-N 346.471 2.723 0 50 EFAA Cc1ccc(NC(=O)C(=O)NCCc2nc(C)c(C)s2)c(C)c1 67773524 DGYFAUXKPRBCHT-UHFFFAOYSA-N 331.441 2.674 0 50 EFAA CSC[C@H](C)NC(=O)C1CCN(Cc2csc(C)n2)CC1 120157117 FUEDWZKMKUPGCY-NSHDSACASA-N 327.519 2.531 0 50 EFAA Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nn1 65362160 QEQCCGFNMPFDSV-UHFFFAOYSA-N 331.807 2.793 0 50 EFAA COC[C@H](c1ccccn1)N(C)CC(=O)Nc1ccc(C)c(C)c1 65406630 QGSSQAMILRIVOB-GOSISDBHSA-N 327.428 2.956 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@@H](O)C2CC2)cc1 230163202 YYAVLUXJXDAIHS-KURKYZTESA-N 332.444 2.533 0 50 EFAA C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc[nH]c(=O)c1 120982975 BPSFMWBIKZESQT-JTQLQIEISA-N 335.201 2.971 0 50 EFAA O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21 67630960 ICHMCGKFMKGUGL-NSHDSACASA-N 340.379 2.553 0 50 EFAA COC(=O)c1cc(NC(=O)c2cc(C)oc2C)cc(C(=O)OC)c1 1001921 IGRXYPUEBZTNFM-UHFFFAOYSA-N 331.324 2.722 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 129774143 FKQZVSJAIJNGBK-CYBMUJFWSA-N 327.388 2.656 0 50 EFAA COc1ncccc1-c1noc(-c2ccnc(OCC(F)F)c2)n1 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Cc1ccc(OC[C@H](O)C(F)(F)F)c(C(=O)Nc2ccncc2)c1 170080260 HAZHJUGLXVDAOH-AWEZNQCLSA-N 340.301 2.944 0 50 EFAA NC(=O)[C@H]1CCCCN1CCCc1ccc(OC(F)(F)F)cc1 170607014 AGBUWIBHDOOIJC-CQSZACIVSA-N 330.350 2.858 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cc(F)ccc1F 170647997 PXAIUSHCWOQGOA-VIFPVBQESA-N 338.335 2.501 0 50 EFAA C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(C(F)(F)F)nc1)C[C@@H](C)O2 279467328 WKVYJFFMKVRPMY-ZETOZRRWSA-N 344.333 2.509 0 50 EFAA COc1ccnc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 280121118 AOTWVHAYTWAXGB-MFKMUULPSA-N 339.317 2.816 0 50 EFAA Fc1cccc(F)c1[C@H]1CCN(Cc2nnnn2CC(F)(F)F)C1 191063543 JIJQCRUYZZUNNN-VIFPVBQESA-N 347.291 2.503 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CC1OCCCO1 193233117 SZPLOEXFPYEXHE-WFASDCNBSA-N 339.819 2.782 0 50 EFAA CCOc1ccccc1N1CCN(c2ncnc3onc(C)c23)CC1 193379502 XMOBHVKLKIAJJH-UHFFFAOYSA-N 339.399 2.652 0 50 EFAA CSc1c(F)cc(NC(=O)N(CCO)CC(F)F)cc1F 194004212 RVYKWPWXKLFAJS-UHFFFAOYSA-N 326.315 2.778 0 50 EFAA Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C 194125425 PEKJYHBZEWCXHS-GWCFXTLKSA-N 344.440 2.765 0 50 EFAA CS(=O)(=O)Cc1ccccc1CNC(=S)Nc1ccccc1 749826683 CPMOCSLLUZIIGV-UHFFFAOYSA-N 334.466 2.718 0 50 EFAA COc1ccc2c(c1)cc(C(=O)Nc1nnc([C@@H](C)OC)s1)n2C 1529111331 VNYQGJLKSNQCQD-SECBINFHSA-N 346.412 2.998 0 50 EFAA NCc1nc(C(=O)Nc2ccc(-c3cccc(F)c3F)cn2)co1 1529192387 VEEJDGPCVFAKJE-UHFFFAOYSA-N 330.294 2.726 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3ccc[nH]3)CC1)OCC2 1704301137 MEYZWGSDMGJHHM-UHFFFAOYSA-N 326.396 2.728 0 50 EFAA O=C(Cc1ccsc1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616067679 ABTNQDDAZJHUOD-ROUUACIJSA-N 342.464 2.575 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCCN(C2CCCCCC2)CC1 1775982230 MQHVFHIJBJSFST-UHFFFAOYSA-N 349.519 2.646 0 50 EFAA CCCc1nc(N2CCCN(C(=O)c3ccc(Cl)o3)CC2)no1 1772810669 NTDXSULLLGKCEL-UHFFFAOYSA-N 338.795 2.621 0 50 EFAA O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCCCCC1 5438417 PWKFDTAUSOAQTM-UHFFFAOYSA-N 336.457 2.633 0 50 EFAA COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 5077498 KRWDYDDRHBUHHB-UHFFFAOYSA-N 349.726 2.997 0 50 EFAA CN1CCCC[C@@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 11937227 FOSNECXGDLBUEF-GOSISDBHSA-N 349.438 2.521 0 50 EFAA Cc1ccc2c(C)c(C(=O)NC[C@H]3CCS(=O)(=O)C3)oc2c1C 12589835 WWBFLWFXPFOSFJ-CYBMUJFWSA-N 335.425 2.523 0 50 EFAA CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 14815684 MKYUCBXUUSZMQB-SZTSADAQSA-N 328.449 2.797 0 50 EFAA endogenous,in-man Cc1cc2ccccc2n1CCN(C)c1ccc(C(=O)N(C)C)nn1 1857671322 UDGVSCPTHOHDFF-UHFFFAOYSA-N 337.427 2.578 0 50 EFAA Cc1ccc(NC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1 1857727144 LXGRBGMMUHMPSY-DODZYUBVSA-N 329.444 2.568 0 50 EFAA O=C1C[C@H]2N(Cc3ccc(C(F)(F)F)cc3)CC[C@]23OCCCN13 1857736224 FYEOHWUUCMCHKX-ZBFHGGJFSA-N 340.345 2.629 0 50 EFAA Cn1cc([C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@H]2CO)cn1 225573710 WJEILIZFBLRUHD-KBPBESRZSA-N 340.254 2.935 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3ccccc3OC3CCC3)CCO2)o1 328609930 GDNSBEMWHSBGIX-MRXNPFEDSA-N 343.383 2.523 0 50 EFAA c1cc(CCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccn1 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2.639 0 50 EFAA CC(=O)Nc1ccc(-c2nc(CC3CCN(C)CC3)no2)c(C)c1 67850604 MIJNSTDMUQRELW-UHFFFAOYSA-N 328.416 2.888 0 50 EFAA Cn1nc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1=O 22283658 QBJIKVIPFXXXPA-UHFFFAOYSA-N 346.346 2.841 0 50 EFAA Cc1nc(C)n(C[C@@H](C)c2nc(C(C)C)nn2-c2ccccn2)n1 65417765 WSKDGBQZPOJCED-GFCCVEGCSA-N 325.420 2.798 0 50 EFAA Cn1cc(C(=O)Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cn1 2767400 GISJSYPNAJKXIV-UHFFFAOYSA-N 337.257 2.798 0 50 EFAA COC(=O)c1cncnc1NC[C@H]1CCCO[C@H]1c1ccccc1 253415476 GJTOKBOXNIMNGN-ZBFHGGJFSA-N 327.384 2.843 0 50 EFAA O=C(C[C@H]1COCCN1Cc1nc(C2CCCC2)no1)c1ccco1 120966737 UEKYBVDIYLILBG-AWEZNQCLSA-N 345.399 2.794 0 50 EFAA CCc1noc(C)c1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328627049 FSZFZOHPGRHPSC-HNAYVOBHSA-N 345.491 2.794 0 50 EFAA CC(C)(C)CCc1noc([C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 367544877 QGIQOMFVWWQHRM-CYBMUJFWSA-N 328.416 2.959 0 50 EFAA Cc1ccc(C[C@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)s1 129486449 FEQKSKFQZRFDCH-NSHDSACASA-N 331.441 2.586 0 50 EFAA COc1ccccc1[C@H]1CCN(C(=O)Cc2cccc(C(=O)O)c2)C1 262148640 MSOVADPEJZHGQU-INIZCTEOSA-N 339.391 2.952 0 50 EFAA Cc1oncc1CN1CCCC[C@H]1c1nc(-c2ncccn2)no1 375353006 NTGVOLFHXVRJAJ-ZDUSSCGKSA-N 326.360 2.550 0 50 EFAA O=C1OCC2=C1[C@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCCO3 13598764 FOCNALWTYGTNKD-QGZVFWFLSA-N 339.322 2.965 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@@H]2CCn3cncc3C2)cc1 332772140 HJGYAPBWWGHYNE-QRQLOZEOSA-N 339.439 2.790 0 50 EFAA COc1ccc(OCc2nccc(-c3cc(C(=O)O)ccn3)n2)cc1 71752742 FNDNMYBXQMZNIW-UHFFFAOYSA-N 337.335 2.824 0 50 EFAA Cc1nc(CN(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)oc1C 285296167 VINLALKOLPTEEH-HKUYNNGSSA-N 329.444 2.795 0 50 EFAA CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(C(=O)O)nc1 237193437 CPTBLYOIPFWDPQ-UHFFFAOYSA-N 345.302 2.527 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1sc(NC(=O)c2ccco2)cc1C 237275215 VAWLEUNWMVSNRG-GFCCVEGCSA-N 347.440 2.726 0 50 EFAA COc1ccc(C[C@@H]2CCCN2c2ncnc3c2CN(C)CC3)cc1 222191208 KEXFGHYPROXPJX-INIZCTEOSA-N 338.455 2.685 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N1CCN(CCSC(C)(C)C)CC1 239760973 CIVSOICQNPNIIU-OAHLLOKOSA-N 341.565 2.583 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 241439870 NNALMRKFLCNDJW-RDJZCZTQSA-N 334.460 2.827 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccccn2)C1 456351438 XALOBNLAXIXZAZ-GOSISDBHSA-N 337.467 2.995 0 50 EFAA Cc1c(COC(C)C)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1 132506752 UTJWJLLETAASCA-OAHLLOKOSA-N 343.431 2.648 0 50 EFAA c1ccc(CC2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 244336360 XQYDOMMICUFRQI-UHFFFAOYSA-N 338.455 2.772 0 50 EFAA CCCN1CC[C@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)C1 341032915 NPAPBTPTOMGMHA-SJLPKXTDSA-N 331.460 2.501 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)C1 195599696 KZGUSOORCRPXRT-IOASZLSFSA-N 336.457 2.702 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2cc(C)ccc2C)CC1=O 82138845 JKVQCWUHXGQXGD-UHFFFAOYSA-N 338.407 2.801 0 50 EFAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1 246179958 GQGSWVASGJNFBJ-IPMKNSEASA-N 341.432 2.896 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)no1 82093086 NRMWCVOWKFMJQC-LBPRGKRZSA-N 347.802 2.987 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCCSc1ccccn1)C2 91950630 UWCAGEBUQBXAFW-AWEZNQCLSA-N 344.436 2.550 0 50 EFAA CSCc1nc(CNC(=O)c2cnc(C3CC3)nc2C)cs1 97307456 MGDDFYKQMALVEX-UHFFFAOYSA-N 334.470 2.912 0 50 EFAA Cc1cccc([C@H](C(=O)NCCNc2cc(C)ccn2)N(C)C)c1 91444672 JOKVRQBBSHEHLH-GOSISDBHSA-N 326.444 2.529 0 50 EFAA COc1cccc(Cl)c1[C@H](C(=O)O)N(C)Cc1c(C)n[nH]c1C 95386360 KEKBMLWNPVTKFX-OAHLLOKOSA-N 337.807 2.946 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2nc(N)ccc21 95356433 OYYLQRTXMMTNRW-HNNXBMFYSA-N 333.395 2.940 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 242990350 HTPMBGGQEVUQKA-UONOGXRCSA-N 342.326 2.768 0 50 EFAA Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(C)n1C 252570437 WTHIEKQNEQTWQS-ZHALLVOQSA-N 326.440 2.754 0 50 EFAA O=C(Nc1nccc2sccc12)C1CCN(c2cnccn2)CC1 183922306 UMDURFFNTUQXJM-UHFFFAOYSA-N 339.424 2.941 0 50 EFAA O=C(c1cccc2c1COC2)N1CCN(c2ccc(Cl)cn2)CC1 1940195027 JGUHAFUDMJQVQJ-UHFFFAOYSA-N 343.814 2.728 0 50 EFAA Cc1nc(N)ncc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 299774721 IAHCUERZRMTCDC-OAHLLOKOSA-N 338.411 2.934 0 50 EFAA O=C(NCCCSCc1ccc(Cl)cc1)c1cnc(O)[nH]1 825540760 WIWMPBFLEYSLHW-UHFFFAOYSA-N 325.821 2.822 0 50 EFAA Cc1noc([C@H]2CCCCN2C(=O)c2ccc(CN3CCCC3)o2)n1 825300780 OQASFFFBPZEMSH-OAHLLOKOSA-N 344.415 2.934 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCO1 828488889 BGFPLCGNZKHFGV-SFHVURJKSA-N 349.390 2.582 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)NCc1ccc2c(c1)CCCO2 584899241 HFAGYGPTEQOTPE-UHFFFAOYSA-N 342.443 2.960 0 50 EFAA O=C(N[C@@H](CO)c1ccc(F)cc1)C1(N2CCCC2)CCCCC1 670470007 FJZXHOATKRXUHD-KRWDZBQOSA-N 334.435 2.774 0 50 EFAA COc1cc(C)c(CN[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c(C)n1 952889851 IPRMTZYMCRYFMD-CABCVRRESA-N 330.432 2.899 0 50 EFAA C[C@@H]1CCC[C@@](O)(CNC(=O)Nc2c[nH]nc2-c2nccs2)C1 1875265225 WUEFHWBKONZIKI-BMIGLBTASA-N 335.433 2.596 0 50 EFAA O=C(N[C@@H]1CCc2ccc(O)cc21)c1cc2c(s1)CCCNC2=O 1875294497 UGJTUVRKFOAODI-CQSZACIVSA-N 342.420 2.547 0 50 EFAA O=C(NS(=O)(=O)c1ccccc1F)c1ocnc1-c1ccccc1 1875333293 MLDZWCXYJOXZQT-UHFFFAOYSA-N 346.339 2.599 0 50 EFAA NC(=O)c1ccc(-c2noc(Cc3cc(-c4ccco4)on3)n2)cc1 1875337644 YQVWCCWQRNHGDK-UHFFFAOYSA-N 336.307 2.674 0 50 EFAA FC(F)(F)Cn1nc(COc2ccccc2)nc1[C@@H]1CCCNC1 952962264 BOHWGQQCFQTWAZ-GFCCVEGCSA-N 340.349 2.886 0 50 EFAA C[C@@H](CN(C)Cc1ccc(-c2ccccn2)cc1)N1CCOCC1 952978309 DVZGFBZQEPZNDT-KRWDZBQOSA-N 325.456 2.901 0 50 EFAA Cc1c(Cl)cccc1C(=O)NCc1nnc([C@H]2CCCOC2)o1 886096986 QNDPEXZUILRHOW-NSHDSACASA-N 335.791 2.855 0 50 EFAA CCCN1C[C@H](NC(=O)c2cnn3c(C)c(C)ccc23)C(C)(C)C1 974681515 UEHMCPIXJBVJCJ-KRWDZBQOSA-N 328.460 2.801 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CNCCC1(F)F 1775988302 GVEGIBMOMSKKRC-LBPRGKRZSA-N 327.762 2.857 0 50 EFAA CN(CC(N)=O)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 1776002509 KKBKUHRTZDWLHR-CQSZACIVSA-N 339.317 2.570 0 50 EFAA 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O=C(N[C@H]1CCOC[C@@H]1O)C1(c2ccc(Cl)cc2)CCCCC1 629230544 CZFOPUOTXRGQOU-HOTGVXAUSA-N 337.847 2.808 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc3c2CCCC3)C1 644121734 YNSAPAOUFBSPCH-PBHICJAKSA-N 325.412 2.891 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]3CNC[C@H]32)nn1-c1cccc(Cl)c1 333319513 UFCLYIMZIMCMNP-SUMWQHHRSA-N 344.846 2.658 0 50 EFAA CN(C)c1ncc(C(=O)NC[C@H]2CCOC(C)(C)C2)cc1Cl 653870968 HCUURLCSVISBCO-NSHDSACASA-N 325.840 2.736 0 50 EFAA C[C@H]1Cc2cc(C(=O)N3CCC[C@H](C(C)(C)C(=O)O)C3)ccc2O1 659144287 DXGSDADRYMHAQA-WFASDCNBSA-N 331.412 2.973 0 50 EFAA Cc1nc(S(=O)(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)cn1C 249463562 GEPGTNOXHONDCJ-MNOVXSKESA-N 337.470 2.807 0 50 EFAA C[C@H](c1nnnn1C)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 249485619 UHXFCUVRFUJBRK-NOZJJQNGSA-N 342.230 2.651 0 50 EFAA Cc1cnc(N2CCC[C@H](CC(N)=O)CC2)c(Br)c1 671440283 FWUCLPKOVHITAZ-NSHDSACASA-N 326.238 2.634 0 50 EFAA O=S(=O)(CC1CCC1)N1CCC2(CC1)OCCc1ccsc12 352089603 OGDUGTCCZGMPRI-UHFFFAOYSA-N 341.498 2.742 0 50 EFAA C[C@H](C1CCCCC1)N(C)C(=O)NCc1nc(C(F)(F)F)n[nH]1 252498826 RMVYCYJOFKWHQO-SECBINFHSA-N 333.358 2.934 0 50 EFAA C[C@@H](NC(=O)c1ccc(NCc2cccc3c2CCC3)cc1)C(=O)O 901712809 HQVAXYVMPBKJPS-CYBMUJFWSA-N 338.407 2.990 0 50 EFAA Cc1ccc2c(C(=O)N3CCN(c4nncn4C)CC3)c(C)ccc2c1 824297730 FTECVEQPJUTBOF-UHFFFAOYSA-N 349.438 2.548 0 50 EFAA CCn1cc(CN2CCC(n3cc(Br)cn3)CC2)cn1 328586957 PTJNJOFJIFLODY-UHFFFAOYSA-N 338.253 2.699 0 50 EFAA COC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 51105 JSRVALZWBDMVCZ-UHFFFAOYSA-N 346.408 2.826 0 50 EFAA O=C(Cc1nc(C2CCCCC2)cs1)N[C@]12CCC[C@H]1CNC2 2325795187 NOBJCQOQIIYYKL-KSSFIOAISA-N 333.501 2.992 0 50 EFAA C[C@H](c1ccccn1)N1CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1 248734792 DMNTUVFWWWRKHI-MISMHTLLSA-N 340.471 2.514 0 50 EFAA COc1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 97599 ADHNOLSNFXCAKU-UHFFFAOYSA-N 345.395 2.694 0 50 EFAA biogenic CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC)cc2)c1C 253652 JXBQLIVRTKGELN-UHFFFAOYSA-N 344.411 2.789 0 50 EFAA COc1cc(C(=O)N2CCc3ccccc3C2)cc(OC)c1OC 314646 GIMLVICIKBGJAN-UHFFFAOYSA-N 327.380 2.911 0 50 EFAA biogenic O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[C@@H](c2ccccc2)C1 385602 GLEZOJKQRIHDTN-MRXNPFEDSA-N 348.402 2.689 0 50 EFAA Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 470742 IKBRTPUFZRRPMM-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1 2057291 PEXFWNKJAYDMNU-INIZCTEOSA-N 348.399 2.714 0 50 EFAA CC[C@H](C(=O)N1CCC2(CC1)OCCc1sccc12)n1cccn1 2356159974 XSXWRZDCDLISKC-OAHLLOKOSA-N 345.468 2.986 0 50 EFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCc1noc(C2CCC2)n1 2356159980 XZRUUFYFZCNNAC-UHFFFAOYSA-N 340.339 2.724 0 50 EFAA CN1C(=O)N(C)C(=O)C(Cc2ccccc2)(Cc2ccccc2)C1=O 3683962 AKCCYMXEJXFRRN-UHFFFAOYSA-N 336.391 2.509 0 50 EFAA O=C(Nc1ccccc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4821269 JQPWZRRAYKYTTQ-AWEZNQCLSA-N 334.397 2.501 0 50 EFAA Cc1cccc(NC(=O)CC(=O)NCCc2ccc(O)cc2)c1C 55308558 SMBFBDVVPQNIPM-UHFFFAOYSA-N 326.396 2.697 0 50 EFAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(N2CCCCC2)c1 225467560 TVQQRKVVKPFKEW-IAGOWNOFSA-N 344.459 2.843 0 50 EFAA Cc1cnc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)s1 8391659 YQPJAQRMROOJIT-UHFFFAOYSA-N 331.426 2.967 0 50 EFAA CCOc1ncccc1CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 111814997 IIVAFMSQUXFYLT-MRXNPFEDSA-N 343.431 2.532 0 50 EFAA O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CCO[C@@H]1c1ccccc1 110657561 LRJHUBMYPPQCDF-KZNAEPCWSA-N 326.396 2.549 0 50 EFAA COc1ccccc1OCc1cc(C(=O)NCc2cccs2)n[nH]1 67688980 ROTAANHEPLFAIF-UHFFFAOYSA-N 343.408 2.989 0 50 EFAA CC(C)CN1CCC(N[C@@H](C)c2nc(-c3ccccn3)no2)CC1 67690732 TZUCCLHYKCSKNN-AWEZNQCLSA-N 329.448 2.903 0 50 EFAA COc1cc(Cn2ccnc2C2CCN(C)CC2)cc(OC)c1OC 67908438 KFUSJUDNQYFTTK-UHFFFAOYSA-N 345.443 2.766 0 50 EFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 67947991 QJPYZKYHUAOHNJ-ZDUSSCGKSA-N 343.456 2.630 0 50 EFAA Cc1nc(NC(=O)CN2CCN(c3ccccc3F)CC2)sc1C 20018948 IHVMDFZIWPKDSK-UHFFFAOYSA-N 348.447 2.660 0 50 EFAA C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCCN2CCC[C@H]2C1 252467467 MXJVREGEUWGBNV-BEFAXECRSA-N 327.472 2.672 0 50 EFAA CC(C)c1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCC(=O)N4C)on1 65417415 SEEXCICECRYDLW-LLVKDONJSA-N 341.367 2.627 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H]3CCOC3)cc2)cc1 253416863 FQKNSHMNPLVWMR-KRWDZBQOSA-N 347.436 2.988 0 50 EFAA CCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C)CC2)CC1 67850493 QVRNWEBINOJASH-UHFFFAOYSA-N 330.476 2.966 0 50 EFAA Cc1cc(C)c2c(NC(=S)NC(=O)c3ccccc3)nn(C)c2n1 1399382 SNYLPHJHBWBBLX-UHFFFAOYSA-N 339.424 2.712 0 50 EFAA Cc1nnc(-c2cnn(C)c2N)n1Cc1cccc(C(F)(F)F)c1 1384166 VXPLKTVWALVFLT-UHFFFAOYSA-N 336.321 2.636 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccncc2)c1 219531854 ADHAZVOIHOQGLT-IBGZPJMESA-N 339.439 2.886 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2c2nccc(C(F)(F)F)n2)c1 283593002 SEILKQRNGYONCR-AAEUAGOBSA-N 339.317 2.816 0 50 EFAA O=C(CC1=CSC2=NCCN12)N1CCOc2ccc(Cl)cc2C1 215826420 ZVPONKDCTMDUDF-UHFFFAOYSA-N 349.843 2.711 0 50 EFAA C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1c1cccnc1 124167255 HBPOEKGUJZFFQL-KBMXLJTQSA-N 345.443 2.653 0 50 EFAA O=C(c1csc(-c2cccnc2)n1)N1CCO[C@@H](C(F)(F)F)C1 71416348 KECVFPZEJJUXCB-LLVKDONJSA-N 343.330 2.608 0 50 EFAA Cc1ccccc1-c1noc(CN2CCC[C@H](N3CCCC3=O)C2)n1 71746900 VTVYUVIHVPMICJ-HNNXBMFYSA-N 340.427 2.632 0 50 EFAA CC(C)c1ccoc1C(=O)N(C)c1ccc(N2CCOCC2)nc1 284099426 FZXFNFUPRGIOMW-UHFFFAOYSA-N 329.400 2.911 0 50 EFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC[C@H]1c1ccccn1 215146373 GVLTULRAJIYVOQ-SFHVURJKSA-N 348.406 2.928 0 50 EFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)c(C)c2c1 72167564 WCVDFGOMPFIYBK-LJQANCHMSA-N 341.411 2.842 0 50 EFAA CCc1nc(C)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)o1 72439477 KPFZRIWOAYOCPP-UHFFFAOYSA-N 331.391 2.643 0 50 EFAA CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1 374162471 QJEAJFFDGWRFLZ-SFHVURJKSA-N 326.444 2.849 0 50 EFAA O=C([C@@H](O)c1cccc(Cl)c1)N1CCCN(C2CCCC2)CC1 72473469 RYAMFSLNIYWPJD-KRWDZBQOSA-N 336.863 2.850 0 50 EFAA CC(C)(CO)N(Cc1ccsc1)C(=O)c1cnn2c1CCCC2 72154154 SGPQQKLWYOSYAR-UHFFFAOYSA-N 333.457 2.694 0 50 EFAA CCc1c(C)nn(CC(=O)NCC2(N3CCCC3)CCCC2)c1C 219786351 KBSGYWLYFXIDCC-UHFFFAOYSA-N 332.492 2.587 0 50 EFAA CC(C)[C@]1(C(=O)O)CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 262799920 AHWDVENZCJFUIH-LPHOPBHVSA-N 331.412 2.763 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)CCc2nc3ccccc3[nH]2)n1 219315652 HIEALDNDDDNCSH-LLVKDONJSA-N 327.388 2.879 0 50 EFAA N[C@H](C(=O)N1CCC[C@@H](CN2CCCCCC2)C1)c1ccccc1 238002097 WSFZIUMGMIQCTB-HKUYNNGSSA-N 329.488 2.801 0 50 EFAA Nc1cc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)ncn1 71315684 ZOTMPAOQJWQQTF-IBGZPJMESA-N 326.444 2.661 0 50 EFAA COc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)cc(OC)c1C 176728602 DBWZHBZHXRPSKD-QGZVFWFLSA-N 331.368 2.819 0 50 EFAA COc1ccc(F)cc1C(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 221318441 QFZAYERUFPCVHE-ZDUSSCGKSA-N 348.418 2.697 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@@H](C)CN3CCCC3)CC2)cc1 82156854 OSPYYJZMAKJXLQ-INIZCTEOSA-N 346.471 2.797 0 50 EFAA COc1ccc(C2=NC(=S)N(c3ccc(OC)cc3)CN2)cc1 19202507 RLRFXJDCQJXZQP-UHFFFAOYSA-N 327.409 2.803 0 50 EFAA O=C(NCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)C1CCC1 82136706 VXHCSNIHEAZTBR-MRXNPFEDSA-N 342.487 2.861 0 50 EFAA CC(C)c1nc(CN(C)C(=O)Cn2c(=O)[nH]c3ccccc32)cs1 95508364 YWRBJQFGWYQIDO-UHFFFAOYSA-N 344.440 2.568 0 50 EFAA OCC[C@H]1CN(C2CCSCC2)CCN1CCCc1ccccc1 22918419 RUYXXDASSNLDAG-FQEVSTJZSA-N 348.556 2.883 0 50 EFAA Cn1c(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)nc2ccccc21 91943520 XYVXLCUGBYGDBT-INIZCTEOSA-N 348.450 2.737 0 50 EFAA CN(C)Cc1ccc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)o1 97784851 YBYUYTMOWATYQN-ZDUSSCGKSA-N 327.306 2.770 0 50 EFAA COc1cc2c(cc1CNC(=O)c1c[nH]c(=O)c3ccccc13)CCC2 97694719 FHXJBZHTQRTMST-UHFFFAOYSA-N 348.402 2.955 0 50 EFAA C[C@@H](CN1CCOCC1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 91551571 ANVYTEIAFDOEPQ-INIZCTEOSA-N 348.462 2.575 0 50 EFAA O=C1CCC2(CCN1)CCN(C(=O)CCCc1ccccc1)CC2 244873334 WOJDVLOYIAUBPT-UHFFFAOYSA-N 328.456 2.918 0 50 EFAA C[C@@H](C(=O)Nc1nncs1)N1CCC(OCc2ccccc2)CC1 252483959 FLIPRTHICBMGRO-ZDUSSCGKSA-N 346.456 2.546 0 50 EFAA COCC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1OCCCN 299785696 NJLTWLVNVDTQJA-INIZCTEOSA-N 334.460 2.754 0 50 EFAA CCCn1cnnc1[C@H](C)NC(=O)c1cccc(-c2ncccn2)c1 299766071 BOUGHDOHXVZMJA-ZDUSSCGKSA-N 336.399 2.636 0 50 EFAA CCn1ccc(CNC(=O)[C@@H](OC)c2ccccc2C(F)(F)F)n1 822620294 UVBPWXVCFFKFRO-AWEZNQCLSA-N 341.333 2.926 0 50 EFAA O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828047549 MQRGBSIEJVWQEL-GFCCVEGCSA-N 349.337 2.984 0 50 EFAA O=c1c2sc(-c3ccccc3)cc2ncn1Cc1cc(O)ncn1 670466627 ZQOFBKRYGUPZFM-UHFFFAOYSA-N 336.376 2.669 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cccn2C2CC2)C3)o1 952851308 HZZCDRZDLPCSND-UGSOOPFHSA-N 326.400 2.708 0 50 EFAA N=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)CCOc2ccccc2)C1 1875395313 AMWDBPQWHHOBGD-GAJHUEQPSA-N 336.457 2.657 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cc(F)c(O)cc2Cl)CC1 1875367030 NTZLDDNPDHODNV-UHFFFAOYSA-N 326.755 2.548 0 50 EFAA Cc1[nH]nc2c1CN(C(=O)c1cc(Cl)c(Br)[nH]1)CC2 1875316152 XPUMLIBXYLFNDP-UHFFFAOYSA-N 343.612 2.661 0 50 EFAA CCCc1cc(CN[C@@H]2CCC(=O)N(Cc3ccccc3)C2)on1 952970213 LLYMLVZHJKMWQN-QGZVFWFLSA-N 327.428 2.908 0 50 EFAA Cc1nc([C@H]2OCC[C@H]2CNC2CC(c3ccccc3F)C2)n[nH]1 888094462 SCMAKLXPVIWJIL-VWLISTAJSA-N 330.407 2.866 0 50 EFAA O=C(N[C@@H](CCO)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 269182304 YBJZCXBEBASKMS-SFHVURJKSA-N 338.407 2.889 0 50 EFAA CC(=O)N(C)Cc1cn(-c2ccc(Cl)cc2C(F)(F)F)nn1 899688731 QVORTLDQDZVNBX-UHFFFAOYSA-N 332.713 2.918 0 50 EFAA Cc1csc(C(=O)NCC(F)F)c1I 188155606 NFBOMCDTCKKMIL-UHFFFAOYSA-N 331.125 2.656 0 50 EFAA O=C(CCc1ccccc1C(F)(F)F)N(C1CC1)[C@H]1CCNC1 638142825 UWSOTGPVTQEVKK-AWEZNQCLSA-N 326.362 2.991 0 50 EFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C[C@H](O)C2CCCCC2)C1 190844050 JOOLGMSICGAKTG-ROUUACIJSA-N 349.450 2.963 0 50 EFAA CCOC(=O)c1csc(C2CCN(Cc3cnn(CC)c3)CC2)n1 192036389 MDRGPSVCYHNVHE-UHFFFAOYSA-N 348.472 2.916 0 50 EFAA COc1ccccc1/C=C/CNC[C@@H]1CCO[C@H]1c1nccn1C 657729660 PTECJFHRRBWRID-QXZUDOESSA-N 327.428 2.809 0 50 EFAA COc1ccc(CC2CCN(C(=O)c3nccnc3C)CC2)cc1 667779352 DVJGGDWDHHGYKD-UHFFFAOYSA-N 325.412 2.889 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cccs2)c1 474364 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CC(C)[C@H](NC(=O)c1cnc(N(C)C)cn1)c1nc2ccccc2[nH]1 355701448 MBXVJGXPWDBXJF-INIZCTEOSA-N 338.415 2.546 0 50 EFAA O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2c1CCC2 363659193 HINZAXMBCGGCHL-GFCCVEGCSA-N 344.846 2.808 0 50 EFAA COc1cccc([C@@H](O)CNC(=O)N[C@H](C)c2cccc(OC)c2)c1 264682017 AXGBGAQLJDPZFH-ACJLOTCBSA-N 344.411 2.798 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC(NCc3occc3C)CC2)cc1 266168011 BEFJXPLIBJSAFN-UHFFFAOYSA-N 348.468 2.839 0 50 EFAA C[C@@H]1C[C@H](N[C@H](CN2CCCC2=O)c2ccccc2)CC[C@@H]1C(=O)O 902110681 JARJOWHSTAAWDR-NRSFXHEJSA-N 344.455 2.829 0 50 EFAA COc1ccc(-c2cnc(CN3CCC[C@H]3c3nc[nH]n3)o2)cc1 931136805 UMTJWJYDUKFIGO-AWEZNQCLSA-N 325.372 2.805 0 50 EFAA CO[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3F)nn2)C1 934949850 QUASZUJIAKIERP-LBPRGKRZSA-N 330.363 2.925 0 50 EFAA O=C(O)[C@H]1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 859806668 IJQFSHQLAMKEOJ-GOSISDBHSA-N 345.370 2.690 0 50 EFAA O=C(NC[C@@H](CC1CC1)C(=O)O)c1csc(Br)c1 405475050 LPWZWUJBMYNUDB-MRVPVSSYSA-N 332.219 2.741 0 50 EFAA CN(Cc1cncc(Br)c1)[C@H](CC(=O)O)C(F)(F)F 705493503 GOQJGAPGJDLKTE-SECBINFHSA-N 341.127 2.682 0 50 EFAA CC[C@@H](Sc1nc(OC)cc(=O)[nH]1)C(=O)N[C@H](C)c1ccccc1 4632364 XQKBSNWLMKKCFF-DGCLKSJQSA-N 347.440 2.527 0 50 EFAA CCc1cn2c(C(=O)N3CCCn4ncc(Cl)c43)cccc2n1 2325794226 VJNOUDROMZVFDM-UHFFFAOYSA-N 329.791 2.797 0 50 EFAA CSCCc1nc([C@H]2C[C@](F)(CO)C2)n(-c2ccc(F)cc2)n1 2325849214 IVFCIDAYIPGMCK-AITUWYQGSA-N 339.411 2.890 0 50 EFAA CN1C(=O)N[C@@](C)(c2ccc(NCc3ccc4c[nH]nc4c3)cc2)C1=O 1474193998 DCQOAFGBOZQKKN-IBGZPJMESA-N 349.394 2.572 0 50 EFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1 39356 VUHFWQBMGIAXIQ-MRXNPFEDSA-N 330.384 2.809 0 50 EFAA O=C(c1cc(=O)c2ccccc2o1)N1CCC(OC(F)(F)F)CC1 2356163199 RPLFYPHVDFBZLB-UHFFFAOYSA-N 341.285 2.934 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1cccc(NC(C)=O)c1C 2875247 SEMRTHXTCLZEHW-UHFFFAOYSA-N 326.352 2.992 0 50 EFAA Fc1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 4511765 BLAOYVBTEJCMMW-UHFFFAOYSA-N 327.344 2.966 0 50 EFAA CCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1 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ZICQHXDBDICNNY-UHFFFAOYSA-N 330.432 2.956 0 50 EFAA c1cncc(CN2CCc3[nH]cnc3[C@@H]2c2ccc3c(c2)OCCO3)c1 67587704 GKWICQYYNGSJRY-FQEVSTJZSA-N 348.406 2.724 0 50 EFAA O=C(NC[C@@H]1CCCN(C/C=C/c2ccco2)C1)c1ccncc1 67514366 CJUMTCLQXLZSJY-AUYOJAJCSA-N 325.412 2.830 0 50 EFAA COCc1cccc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 348246885 QNQVNQGKUVLGGK-MOPGFXCFSA-N 343.398 2.849 0 50 EFAA Cc1cc(C)n2nc3c(c2n1)[C@@H](c1ccc(N(C)C)cc1)CC(=O)N3 65535769 COYWWINUXLCFNC-OAHLLOKOSA-N 335.411 2.886 0 50 EFAA Cc1cc(C)n([C@H](C)C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)n1 230111769 XXTAJFDJXUMZLO-JZXOWHBKSA-N 329.444 2.732 0 50 EFAA CCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccccc1 20481834 BYQFDCCTQNGKCH-UHFFFAOYSA-N 331.441 2.643 0 50 EFAA CN(CCc1ccccn1)Cc1cccc(C(=O)Nc2cnn(C)c2)c1 67885377 LEFVRUGYUUBIOE-UHFFFAOYSA-N 349.438 2.742 0 50 EFAA Cc1cnccc1C(=O)NC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 67847713 GCBWVNTWHFUFGI-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA Cc1cccc(CN2CCC(N3C(=O)N4CCC[C@@]4(C)C3=O)CC2)c1 328587073 OYJCZVXDHVTPSJ-FQEVSTJZSA-N 341.455 2.776 0 50 EFAA CCN(CC)CCc1ccc(NC(=O)NCCc2ccnn2C)cc1 252479015 AZMIKSAYLUQWOZ-UHFFFAOYSA-N 343.475 2.669 0 50 EFAA Cn1cc(C(N)=O)c(NCc2nc(-c3c(F)cccc3F)cs2)n1 127607240 MTBVCRZLBAKLSD-UHFFFAOYSA-N 349.366 2.533 0 50 EFAA COc1ccccc1-c1ncc(CN2CCC(=O)NC[C@H]2C)s1 67741606 ZKRAWDKSXSIOTI-GFCCVEGCSA-N 331.441 2.529 0 50 EFAA Cc1csc(C2(NC(=O)[C@@H]3CCc4cnn(C)c4C3)CCCC2)n1 281949132 RHRNQSQZPHDCHV-CYBMUJFWSA-N 344.484 2.876 0 50 EFAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCCNc1cccc(Br)c1 330372900 CFFXDACZMNZAFJ-MISXGVKJSA-N 341.249 2.791 0 50 EFAA Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)ccc2n1 253396582 PIOLYLOXJJPDKB-UHOSZYNNSA-N 340.423 2.545 0 50 EFAA CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 253419912 LOOCGQFYNQWSPS-STQMWFEESA-N 349.374 2.502 0 50 EFAA O=C(C[C@@H]1CNCCO1)NCCc1ccccc1Oc1ccccc1 216141374 BWFGUNMGAILXIY-GOSISDBHSA-N 340.423 2.516 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN(Cc1nc(C)c(C)o1)CC2 253432554 LDJMPBFGHFIEBL-UHFFFAOYSA-N 346.427 2.918 0 50 EFAA O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC(Cc2ccccc2)CC1 363935990 DFQBSBBCGBIADP-GOSISDBHSA-N 338.455 2.931 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CC(F)(F)C[C@H]1CO 366679943 NDTFOIDLWMZEJU-ZDUSSCGKSA-N 334.322 2.716 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2Cc2ccccc2)CCO1 238057391 VNLAJDPVVUNGBO-KRWDZBQOSA-N 339.391 2.593 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 262906634 IXECBNDVWDJORA-HNNXBMFYSA-N 346.452 2.912 0 50 EFAA Cc1cc(C)n(-c2cncc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2)n1 378402547 MFNDRJDLJUWNHZ-IAGOWNOFSA-N 341.459 2.922 0 50 EFAA COc1ccncc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 172919787 LZOJKRRWESGUNQ-UHFFFAOYSA-N 339.395 2.581 0 50 EFAA O=C(Cc1noc2ccccc12)N1CC[C@](O)(c2ccc(F)cc2)C1 375018764 KAZQNZQSXKMJKO-LJQANCHMSA-N 340.354 2.630 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CCCOC1 239527583 ATFROERFQJPKEN-QRQLOZEOSA-N 345.487 2.575 0 50 EFAA COc1cccc(OC)c1CN[C@@H]1CCN(c2ncccc2F)C1 375750773 OGOMCLZISGSILW-CYBMUJFWSA-N 331.391 2.606 0 50 EFAA O=C(Cc1cnc2ccccc2c1)N1CCC(Cn2cccn2)CC1 131180242 QELNPHUPHIIEHW-UHFFFAOYSA-N 334.423 2.913 0 50 EFAA O[C@@]1(CN2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1 77300292 GAENRBPROOZPPC-OAHLLOKOSA-N 329.366 2.528 0 50 EFAA CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1occ2c1CCOC2 375897819 LUEWEJBLURXECP-KRWDZBQOSA-N 329.396 2.856 0 50 EFAA CC(C)c1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1F 241588318 PBXWEFUEVSSDTL-IAGOWNOFSA-N 335.423 2.886 0 50 EFAA COc1cc(CN2CCC(Oc3cccnc3)CC2)cc2c1OCO2 215106878 VPTBAAZYLFHBCX-UHFFFAOYSA-N 342.395 2.862 0 50 EFAA C[C@@H](O)CNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72408407 SCQQHMCAXLJSDL-CYBMUJFWSA-N 346.862 2.592 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)no1 72127436 LALFCORHLDNHCB-CQSZACIVSA-N 333.432 2.709 0 50 EFAA Cc1ncc(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1 77299372 YAEFMYQCADJYLR-IBGZPJMESA-N 339.439 2.631 0 50 EFAA O=C(C1=Cc2ccccc2OC=C1)N1CCO[C@@H](C(F)(F)F)C1 71639073 CSNXCKKMKMQGSU-CQSZACIVSA-N 325.286 2.766 0 50 EFAA COCC[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(C)o1 283805233 BNOJUWWZMJTIHH-AWEZNQCLSA-N 345.399 2.674 0 50 EFAA CCCN1CC[C@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1 341032912 NPAPBTPTOMGMHA-AEFFLSMTSA-N 331.460 2.501 0 50 EFAA COC[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)CC(C)(C)O1 284553854 MVBFSSZVKLOXIX-LBPRGKRZSA-N 335.379 2.502 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C(=O)O)c(C)n2)C2CC2)cc1 263334717 NCXAERVHWBFAMK-KRWDZBQOSA-N 340.379 2.978 0 50 EFAA CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ncnn1C 82097099 BRPOPPRSVADWFW-HNNXBMFYSA-N 325.372 2.597 0 50 EFAA COc1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1F 82136764 GNTADWRSWFOOCZ-UHFFFAOYSA-N 342.330 2.552 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2F)C1 426689291 QEZXGWVSMPZKDS-NSHDSACASA-N 347.356 2.938 0 50 EFAA CCCc1occc1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 225584692 GBEZEBNDAOVWDF-UHFFFAOYSA-N 340.383 2.751 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 178971481 KQIAISUHGZZVIE-MNOVXSKESA-N 331.243 2.829 0 50 EFAA CC(C)N1CCC(CC(=O)N2CCC(Cn3ccnc3)CC2)CC1 95375309 VUKSHBZAVLEOKE-UHFFFAOYSA-N 332.492 2.632 0 50 EFAA CCCCn1ncnc1CCCn1nnc(-c2ccc(F)cc2)n1 91493992 HBVNPXOOMGXFGH-UHFFFAOYSA-N 329.383 2.504 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)NCC2(O)CCCCC2)c1 91602817 QXWCQGCAMCVICU-UHFFFAOYSA-N 329.400 2.510 0 50 EFAA COc1ccccc1-n1nc([C@@H]2CCOC2)nc1-c1cnoc1C 96133160 HDQXLMJBJLQTKA-GFCCVEGCSA-N 326.356 2.743 0 50 EFAA COc1ccc([C@H](C(=O)O)N(C)Cc2c(C)nn(C)c2C)c(C)c1 95373882 NNEPQVFVHRBZNP-QGZVFWFLSA-N 331.416 2.612 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)COc2c(C)ccc(C)c2C)C1 91645173 XCCOYPCMSQSBCP-HXUWFJFHSA-N 349.471 2.628 0 50 EFAA Cc1ccc([C@@H](C(=O)N2CCC3(CCN(C)CC3)C2)N(C)C)cc1 95375407 CCHRTUAQPMZURO-SFHVURJKSA-N 329.488 2.542 0 50 EFAA COc1ccc(F)cc1[C@@H](NC(=O)c1ccncc1F)[C@H]1C[C@H](O)C1 244882855 YAKYXTZWSXLHNE-ZMNCSTGQSA-N 348.349 2.610 0 50 EFAA COc1nc(C)c(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)s1 244641213 GLKRRJZOCJURDK-UMNHJUIQSA-N 338.454 2.764 0 50 EFAA CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c3ncccc23)o1 244795306 RDQKMLYYQIOQCQ-UHFFFAOYSA-N 339.395 2.828 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cccc2c1OCCO2 240824825 QLDQAFLUUXAZDY-BFQNTYOBSA-N 345.420 2.761 0 50 EFAA COCc1noc([C@H](C)N(C)CCOc2ccc(Cl)cc2)n1 181534026 YPUGIJPYJLXBRN-NSHDSACASA-N 325.796 2.941 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(=O)n(C)c1 534665423 DSBAYIAZNCEDLB-HNNXBMFYSA-N 326.396 2.726 0 50 EFAA CCOc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1C(F)(F)F 299792112 FEKMYGDKLIHPER-LLVKDONJSA-N 348.321 2.641 0 50 EFAA CSc1ccccc1C(=O)N1CCC2(CC1)CN(C)CCCN2C 299789243 VJSHMTSUUHDBPA-UHFFFAOYSA-N 347.528 2.651 0 50 EFAA CCc1nccn1CCCNC(=O)c1cc(O)c2cccc(F)c2n1 823557302 LEIOVDBIDWPQOX-UHFFFAOYSA-N 342.374 2.659 0 50 EFAA COc1ccc(CC(=O)Nc2cccc3c2OCC[C@@H]3O)cc1F 185387542 WVSPTLIOWPHLEB-HNNXBMFYSA-N 331.343 2.831 0 50 EFAA Cc1cccc2nc(CNC(=O)N3CCC4(CCCO4)CC3)[nH]c12 584896507 VDMQUXWTURKEGV-UHFFFAOYSA-N 328.416 2.726 0 50 EFAA Cc1cc(C[C@@H]2CCC[C@H]2NC[C@@](C)(O)c2ccsc2)n(C)n1 863984299 RHJMPDLZDROQRX-BMGDILEWSA-N 333.501 2.999 0 50 EFAA COc1ccc(Cn2ncnc2[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 670472331 OGVDRCKDQXUEJS-QLFBSQMISA-N 330.432 2.505 0 50 EFAA O[C@@H](Cn1cc(-c2cccc(Cl)c2Cl)nn1)CC1(O)CCC1 1875282095 MLQDKEHJVSJLAF-SNVBAGLBSA-N 342.226 2.918 0 50 EFAA C[C@@H](NCc1cnn2ccccc12)c1cc(C2CCOCC2)nn1C 1875285140 DFTQLTNGULHIPM-CQSZACIVSA-N 339.443 2.813 0 50 EFAA Cc1noc(C)c1NC(=O)NCc1ccc(F)nc1Br 952993556 OUZALIMZSQGGDJ-UHFFFAOYSA-N 343.156 2.910 0 50 EFAA COCCN(Cc1ccsc1)C(=O)c1cc(CC(C)C)nn1C 952973787 BFOYBHMACFOJCI-UHFFFAOYSA-N 335.473 2.969 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc(CO)cc2)c1 952869561 VANSQCYRLNCWNJ-UHFFFAOYSA-N 326.396 2.703 0 50 EFAA Cc1ccccc1-c1ncc(CNCCN2CCC[C@@H](CO)C2)s1 952986215 YURCQMUYVFJBJR-MRXNPFEDSA-N 345.512 2.912 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)c2cnn3cc(C)cnc23)c(C)c1 952972542 HBGZCQPAHOJYIM-UHFFFAOYSA-N 337.383 2.947 0 50 EFAA CCc1nn(C)c(Cl)c1CN[C@@H](C)c1nc(-c2ccncc2)no1 952965635 FOLJYSRMOGPLIF-JTQLQIEISA-N 346.822 2.932 0 50 EFAA O=C(O)CC[C@@H]1CN(C2Cc3ccccc3C2)CC[C@@H]1N1CCCC1 1076049947 FSKNSQVYIUPYPG-QUCCMNQESA-N 342.483 2.805 0 50 EFAA Cc1ccc(N(Cc2nc(O)c3cnn(C)c3n2)CC2CC2)cc1F 1331506857 UZTBIYJFLYQJJV-UHFFFAOYSA-N 341.390 2.933 0 50 EFAA COC[C@@]1(NC(=O)[C@H]2CCC(F)(F)C2)COc2ccccc2C1 888100646 ZNDPOADXNQQRJP-XJKSGUPXSA-N 325.355 2.558 0 50 EFAA COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]ncc3C2)C1 270470853 VIXDTBIUJGCATC-KGLIPLIRSA-N 325.412 2.539 0 50 EFAA CN1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 300804030 GADAYIHFEOXKHA-HNNXBMFYSA-N 325.497 2.706 0 50 EFAA C[C@H](CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)c1ccccc1 275408449 OALYOIOXALMGOK-DKSSEZFCSA-N 327.428 2.950 0 50 EFAA CC[C@@]1(C)Oc2ccc(NC(=O)NCC3=CCN(C)CC3)cc2O1 276730503 JCEKPZUKGWAMMP-SFHVURJKSA-N 331.416 2.967 0 50 EFAA O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1 221733187 FNOBZFOGMDIPEZ-VPOLOUISSA-N 325.767 2.952 0 50 EFAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(Br)s1 222621461 UHJDQJVKLCQUMM-UWVGGRQHSA-N 329.263 2.867 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2Nc2ncnc3sc4c(c23)CCC4)cn1 170091045 GVCAHUGWVYEGKV-SWLSCSKDSA-N 341.440 2.856 0 50 EFAA COCCOc1ccc(NC(=O)N[C@H]2C[C@@H](O)C2(C)C)cc1Cl 188688566 VINJYALEDMSJDN-UONOGXRCSA-N 342.823 2.646 0 50 EFAA O=C(O)CN(CCc1ccccc1)C(=O)C1CCC(F)(F)CC1 191325029 KUKUBPPVJBFXPV-UHFFFAOYSA-N 325.355 2.968 0 50 EFAA COc1cccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1F 192961223 YMRMUWLBQCUUHS-PBHICJAKSA-N 333.407 2.513 0 50 EFAA COc1cc(C)c(S(=O)(=O)N(C)c2cccnn2)cc1C(C)C 193722316 GUSJYDNLSLTDGW-UHFFFAOYSA-N 335.429 2.742 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ncc(F)cc3F)C1)CC2 1704357163 CXPZQBMLXAALBJ-SFHVURJKSA-N 344.365 2.578 0 50 EFAA COc1cc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)ccc1F 1772806029 XJILLPZVRJZXLX-UHFFFAOYSA-N 337.354 2.973 0 50 EFAA CC[C@@H](C)[C@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O 12899547 RACJZOSPZFRWNM-BZNIZROVSA-N 329.400 2.735 0 50 EFAA biogenic C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1cccc2ccccc12 18219291 USYJAOORALYPOL-JTQLQIEISA-N 340.408 2.625 0 50 EFAA Cn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 19733337 HVLSVLXQWSCKRE-CYBMUJFWSA-N 331.803 2.553 0 50 EFAA Cc1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1C 1857737927 JSICUFFNQRRHRY-QYZOEREBSA-N 341.455 2.564 0 50 EFAA COC(=O)c1cnccc1C(=O)N(C)Cc1c(F)cccc1Cl 225797738 BHMFWYHFHWTYOR-UHFFFAOYSA-N 336.750 2.933 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 237675265 ZBAMMNGMCJYXFL-CQSZACIVSA-N 331.393 2.649 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c(C)n1-c1nccs1 136519065 CEWCDWHYRZQDAP-ZDUSSCGKSA-N 333.413 2.630 0 50 EFAA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1occc1C 252517650 NXYOAOOKDBVFRZ-HUUCEWRRSA-N 328.478 2.516 0 50 EFAA COc1cc(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)c(C(N)=O)cc1OC 253395267 VXILYRPTLONIKX-UWVGGRQHSA-N 344.367 2.771 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(F)c1Cl 253427569 NFHYTLKYHFQDTK-LBPRGKRZSA-N 348.809 2.976 0 50 EFAA Cc1ccn(C)c(=O)c1NC(=O)N1Cc2ccccc2OC[C@@H]1C 253427622 WOYCDQBKRGYYSB-ZDUSSCGKSA-N 327.384 2.509 0 50 EFAA COC(=O)CC1(NC(=O)c2cc3c(C)c(C)ccc3[nH]2)CCOCC1 267243697 BXFOOARKHDVTOD-UHFFFAOYSA-N 344.411 2.627 0 50 EFAA O=C(c1nccc2occc12)N1CCC(c2nncn2C2CC2)CC1 826845094 FGFSAGXZAVJABG-UHFFFAOYSA-N 337.383 2.774 0 50 EFAA Cc1nnc([C@]23COC[C@H]2CN(Cc2csc(C(C)(C)C)n2)C3)o1 933471356 BELKOBDMHLQLGW-SJKOYZFVSA-N 348.472 2.532 0 50 EFAA COC(=O)c1nc(N2CCCN(Cc3ccccc3)CC2)sc1C 323887959 FFSRVXLVJGFMOR-UHFFFAOYSA-N 345.468 2.950 0 50 EFAA COC1CC(CCC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325781290 AENZBLXJOSNSGJ-UHFFFAOYSA-N 331.416 2.964 0 50 EFAA CC(C)[C@H]1COCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 2325784152 DMADHYHMSINRAI-GOSISDBHSA-N 327.428 2.676 0 50 EFAA C[C@H]1CN(c2cc(NCc3cccc4cccnc34)ncn2)CCN1C 2325802015 BFTUZLIWZSPLLC-HNNXBMFYSA-N 348.454 2.777 0 50 EFAA Cc1conc1CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O 871662538 ZWHAJLWZQNDFRK-MRXNPFEDSA-N 331.759 2.530 0 50 EFAA CCOc1ccc(-c2c(C)sc3ncn(CC(=O)O)c(=O)c23)cc1 148661 AGLTZCNYGIBAFQ-UHFFFAOYSA-N 344.392 2.917 0 50 EFAA COC(=O)c1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1C 461114 CVHJTVNSVYHINT-UHFFFAOYSA-N 327.336 2.959 0 50 EFAA CCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 467924 ODBXIPQWBIANEX-UHFFFAOYSA-N 330.409 2.987 0 50 EFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 470016 DWMSJAXNFVZMDI-UHFFFAOYSA-N 344.436 2.782 0 50 EFAA CCOC(=O)CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1776713 WZGCGBJMTLASER-UHFFFAOYSA-N 343.408 2.688 0 50 EFAA CC(=O)c1c(N2CCN(C)CC2)nc(=S)n(-c2ccccc2)c1C 4168972 VJBRHMNEQPCPQU-UHFFFAOYSA-N 342.468 2.865 0 50 EFAA CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2 4944362 KSWBNVSYNXBXGM-GFCCVEGCSA-N 345.424 2.755 0 50 EFAA COc1ccc([C@H](C)Nc2cc(N3CCOCC3)ncn2)cc1F 225476825 FUNGQEQHMMRUGX-LBPRGKRZSA-N 332.379 2.634 0 50 EFAA CC(C)c1ccc(N2CC[C@@H](c3nc(C[S@](C)=O)no3)C2=O)cc1 225596148 BBLWINVAUJTHRS-BSEYFRJRSA-N 347.440 2.592 0 50 EFAA CCCN1CC[C@H](CNC(=O)N[C@H](C)[C@H]2COc3ccccc32)C1 247057261 VJNOFUDPMBRBPJ-BFYDXBDKSA-N 331.460 2.582 0 50 EFAA CN(CCCN1CCCCCC1)C(=O)c1ccccc1NCC(=O)O 55133722 VOMYDQKJSGYHBH-UHFFFAOYSA-N 347.459 2.521 0 50 EFAA CC(C)NC(=O)N1CCC[C@@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 23215147 LEBUTQZLXLIISK-CQSZACIVSA-N 345.422 2.914 0 50 EFAA O=C(NCCn1cccn1)N1CCC(Oc2ccccc2Cl)CC1 119751417 YKGZFHXLPRXSRT-UHFFFAOYSA-N 348.834 2.790 0 50 EFAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2C[C@@H]2CC(=O)N(C)C2)n1 67673315 SDLYJSKUMGPAEM-CQSZACIVSA-N 335.411 2.727 0 50 EFAA c1ccc(-n2nc(C3CC3)nc2[C@@H](Cc2c[nH]cn2)n2cccc2)nc1 67920899 WVPORSAAMGAAJD-MRXNPFEDSA-N 345.410 2.896 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404211 KPMYEYXMSNFPNU-ZDUSSCGKSA-N 330.334 2.952 0 50 EFAA COCCn1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)n1 150893880 YQZHHZJABBEJIQ-INIZCTEOSA-N 343.431 2.638 0 50 EFAA CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2nccn(C)c2=O)o1 121203171 JBDGMDGNWLNCBN-GXTWGEPZSA-N 344.415 2.941 0 50 EFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(c2nccc(C(F)(F)F)n2)C1 253395655 FPWQMHJORRZZPZ-VXGBXAGGSA-N 327.281 2.947 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)C[C@H]3CCCCO3)cc2c1 67833401 RDKSGNAEBYLEGK-QGZVFWFLSA-N 330.428 2.928 0 50 EFAA C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1 3080043 MUNLGCDPQMBTPW-AWEZNQCLSA-N 341.363 2.727 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 253421059 OOTFNLSBXQABBN-RDJZCZTQSA-N 341.386 2.712 0 50 EFAA CC[C@H]1Oc2cc([C@@H](C)NCc3nnc(C)s3)ccc2NC1=O 253417716 ALQBMHDFMNTWEI-NOZJJQNGSA-N 332.429 2.807 0 50 EFAA COc1ccc(F)cc1CNC(=O)N1CC[C@@H](C2CCN(C)CC2)C1 253432344 JTGICUOFPGQUHP-OAHLLOKOSA-N 349.450 2.708 0 50 EFAA Cc1nc([C@H]2CCCN2CC2(CO)COC2)[nH]c1-c1ccccc1 366003105 GUIYDCCPVRPZFQ-MRXNPFEDSA-N 327.428 2.531 0 50 EFAA COc1cc2c(cc1CNC(=O)c1cccnc1S)O[C@H](C)C2 126359865 UKCRHODPTBIUNO-SNVBAGLBSA-N 330.409 2.632 0 50 EFAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)c3ccccc3O)C2)cc1 72424974 SGWLVXBBYNMRNU-AWEZNQCLSA-N 325.364 2.795 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 368934751 XDDVFTZBHMKTRO-LJQANCHMSA-N 325.412 2.617 0 50 EFAA Cc1cc([C@@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c(C)s1 156675707 CPFMKSCGIOCJPO-MFKMUULPSA-N 346.518 2.506 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCCC2)[C@H](CCO)C1 39508824 OKKQBNDJKAPJTM-LJQANCHMSA-N 348.535 2.892 0 50 EFAA COC[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccn1 72426683 CLWHPRMASBWYBA-SFHVURJKSA-N 342.439 2.903 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NC[C@@H](O)c2ccccc2F)cc1 72429466 HWPUWMSNSOLVEH-GOSISDBHSA-N 345.414 2.993 0 50 EFAA CC(=O)c1cc(C(=O)Nc2cccc(-c3nnc(C)n3C)c2)n(C)c1 378216587 GLGGIMCOFFWKBF-UHFFFAOYSA-N 337.383 2.584 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCCNc2cccnc2)c1 72432149 IPJOJAWCAOBTMX-UHFFFAOYSA-N 327.428 2.627 0 50 EFAA C[C@H]1SCCN(C(=O)c2csc(CN)n2)[C@@H]1c1ccccc1 237602209 TYPOZQJWKULKGV-ABAIWWIYSA-N 333.482 2.921 0 50 EFAA Nc1cc(N[C@@H]2CCCN(c3nc4ccccc4s3)C2)ncn1 72448157 SREHLXAZMCONOU-LLVKDONJSA-N 326.429 2.749 0 50 EFAA O=C(C[C@@H]1COC(=O)C1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 290659212 OFJVIRWGWVQSMF-PNHOKKKMSA-N 339.391 2.531 0 50 EFAA CN1CCN(Cc2ccc(C(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)cc2)CC1 221254150 NAFXLKVHFXFEAF-IHPCNDPISA-N 341.499 2.743 0 50 EFAA O=C(CSc1ccncc1)NC[C@@H]1CCN(C2CCCCC2)C1 223363871 IMFYSMYDHCOHMH-HNNXBMFYSA-N 333.501 2.945 0 50 EFAA Cc1ncsc1CCc1nc(-c2c(C)ncc3c2CCNC3)no1 20568854 QTBZUJXONZACBS-UHFFFAOYSA-N 341.440 2.636 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@H](NC(C)C)CN1Cc1ccc(Cl)cc1 20997593 YXGYZDOZNDXXCN-IRXDYDNUSA-N 337.895 2.806 0 50 EFAA CC(C)(C)c1ccc2oc(CNC(=O)CCCn3cncn3)nc2c1 220518916 NOHNGPWROGSVOD-UHFFFAOYSA-N 341.415 2.813 0 50 EFAA C[C@@H](c1ccc(-c2nnc(C(=O)N(C)C)[nH]2)cc1)N1CCCCC1 426504089 UIMDDZJAXISJNV-ZDUSSCGKSA-N 327.432 2.720 0 50 EFAA CCc1oc(C(=O)NCCCc2ncc[nH]2)cc1CN1CCCC1 426550714 ZLMAPKIJYYORMS-UHFFFAOYSA-N 330.432 2.524 0 50 EFAA CNC[C@H]1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)C1 178975467 SWJNBHIGTDNSHS-QGZVFWFLSA-N 339.439 2.651 0 50 EFAA Cc1[nH]cnc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 95375272 AOQOKYGMKPAQAL-QGZVFWFLSA-N 338.455 2.699 0 50 EFAA O=C(c1ccc(-n2ccnc2)cc1)N(Cc1cocn1)Cc1cocn1 97636479 NEZIQNGBNWJFDF-UHFFFAOYSA-N 349.350 2.691 0 50 EFAA CC(C)(C)Oc1ccc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)nc1 293662371 PPWXYQKGORXRAR-LJQANCHMSA-N 348.443 2.669 0 50 EFAA CC(=O)c1ccc(N2CCC(NC(=O)c3ccoc3C)CC2)nc1 181033340 NUQVCGXGVNZMJQ-UHFFFAOYSA-N 327.384 2.584 0 50 EFAA Cc1nn(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc12 180575828 CAOKEPPBEXQEGP-UHFFFAOYSA-N 335.289 2.943 0 50 EFAA COc1cc(Cl)cc2cc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)oc12 91494272 BNMQDBGFVUJCMG-OLZOCXBDSA-N 334.803 2.904 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c1C 244678975 INIXLCNTWLHTNP-FCEWJHQRSA-N 327.428 2.588 0 50 EFAA Cc1cccc2c1CC(C)(C)N(S(=O)(=O)c1cn(C)c(C)n1)C2 295669870 HAIVYMBJRAAJOE-UHFFFAOYSA-N 333.457 2.563 0 50 EFAA COc1nccnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 296726929 JJBMLOQMBJSXNP-SNVBAGLBSA-N 341.337 2.607 0 50 EFAA O=C(O)COc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 534642851 WHDZUJJKHMODMV-GOSISDBHSA-N 327.380 2.803 0 50 EFAA COCCN1CCC[C@@H](CN(C)C(=O)NCc2ccc(C)cc2C)C1 534660283 INUBOJVLTLSBGT-SFHVURJKSA-N 347.503 2.803 0 50 EFAA COc1ccc([C@@H](NC(=O)Cn2ccnc2C)c2ccncc2)cc1 299775272 AZVRVYBXDYFPRQ-LJQANCHMSA-N 336.395 2.501 0 50 EFAA CCCCN1CCn2nc(CNC(=O)N(C)c3ccccc3)cc2C1 299776549 DBIVFZDPQYBTNX-UHFFFAOYSA-N 341.459 2.845 0 50 EFAA COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)ccn1 824852079 PMMGSNAEXLAJGD-MRXNPFEDSA-N 343.402 2.624 0 50 EFAA COc1ccnc(NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)n1 824836058 RUUMVDNTHMVWNI-VIFPVBQESA-N 329.326 2.757 0 50 EFAA CN(C)CC(=O)Nc1ccccc1NC(=O)Cc1ccc(F)c(F)c1 823678738 YAGGZVNJXBJQOE-UHFFFAOYSA-N 347.365 2.646 0 50 EFAA CCCc1nc(C(=O)N[C@@H]2COc3c(cccc3OC)C2)cs1 823023311 DKKKSUHTYGUHAQ-LBPRGKRZSA-N 332.425 2.838 0 50 EFAA O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)NC12CC(C(=O)O)(C1)C2 1875276791 CHSFMWSUTJPNBN-TZYSRNFLSA-N 342.395 2.739 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccncc2Cl)C3)o1 952851538 MRWFZGCAMSMJCS-ZBEGNZNMSA-N 332.791 2.620 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1 952881383 GYUUUHXHPMGUNK-HDMKZQKVSA-N 348.491 2.620 0 50 EFAA CCN(CC)C(=O)N1CCC[C@H](c2ncc(Br)cn2)C1 952994446 PLNSKVRQMWLROK-NSHDSACASA-N 341.253 2.880 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc3c(c2)CCCO3)CC1 892052220 HWMSLPFRLHETQT-IBGZPJMESA-N 341.455 2.691 0 50 EFAA Cc1cc2occ(CC(=O)N3CCO[C@@H]4COCC[C@@H]43)c2cc1C 888770105 RJYFBUAACQBGQL-FUHWJXTLSA-N 329.396 2.608 0 50 EFAA CN1CCc2ncnc(NCCc3c[nH]c4cnc(Cl)cc34)c2C1 1775985675 PYCZWOHZKRADKG-UHFFFAOYSA-N 342.834 2.649 0 50 EFAA O=C(CCc1nccs1)N1CCC(O)(Cc2ccccc2F)CC1 1776002545 SKVCYQJZPYKFLI-UHFFFAOYSA-N 348.443 2.811 0 50 EFAA Cc1ccc(C)c(CC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 275471826 SVCRQWOZWQJZOS-PKOBYXMFSA-N 327.428 2.616 0 50 EFAA Cc1nscc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275969036 NMIZZJGKHLGGSE-MRXNPFEDSA-N 344.484 2.973 0 50 EFAA OCc1cn([C@@H]2CCCC[C@@H]2NCc2cc3ccccc3o2)nn1 276334334 RNFHHMVSDBADLP-DLBZAZTESA-N 326.400 2.790 0 50 EFAA C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1)c1cccnc1 186603356 URRPVHQBVOWWBC-QFBILLFUSA-N 338.455 2.751 0 50 EFAA O=C(N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCCCC1 278548386 ASSUQZSZEUIIMS-LLVKDONJSA-N 345.365 2.830 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)Nc1cnn(-c2ncccn2)c1 170612003 HGHUKTMSFRSYDP-UHFFFAOYSA-N 342.790 3.000 0 50 EFAA CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1nc(C)sc1Br 410700487 KJNKSYMIDZMNCG-RQJHMYQMSA-N 349.250 2.532 0 50 EFAA C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)C1CCN(CC(F)F)CC1 281355569 VTWLZKIYEPEQON-XJKSGUPXSA-N 340.414 2.592 0 50 EFAA CNC(=O)CC1CCN(C(=O)NCc2ccc(Cl)cc2F)CC1 187660029 LVNJEAPPZOVVLN-UHFFFAOYSA-N 341.814 2.537 0 50 EFAA COCCn1ccc(C(=O)N2C[C@H](C)CSc3ccccc32)n1 188072209 MGUIVCZBCCGQRN-ZDUSSCGKSA-N 331.441 2.918 0 50 EFAA Cc1nc(O)c2c(n1)CN(C(=O)c1ccc(OC3CCCC3)cc1)C2 636283262 GYCCGLYZYPQMPO-UHFFFAOYSA-N 339.395 2.968 0 50 EFAA CNC(=O)CCCC(=O)NC(C)(C)c1ccccc1Br 188922964 UUJOPBPPSCWBQE-UHFFFAOYSA-N 341.249 2.717 0 50 EFAA Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c1 648578779 VJYRQAZGCKLUPR-INIZCTEOSA-N 340.398 2.913 0 50 EFAA O=C(O)Cc1cccc(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)c1 659137403 KFTRMKOPUQYXAK-IAGOWNOFSA-N 325.364 2.682 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669434316 NWROJFZKUCBNQG-OAHLLOKOSA-N 343.354 2.982 0 50 EFAA CC(C)(C)OC(=O)N1CCn2c(COCc3ccccc3)nnc2C1 952992414 MQRVXOIEJAQNMK-UHFFFAOYSA-N 344.415 2.746 0 50 EFAA O=C(Cc1ccccn1)N(CCO)CC12CC3CC(CC(C3)C1)C2 1506395544 JVLLGELMOBWUTJ-UHFFFAOYSA-N 328.456 2.661 0 50 EFAA Cc1cc(C(N)=O)c(NC[C@@H]2CCCN(Cc3ccco3)C2)nc1C 1704300322 UTWZDEMBGRBREC-HNNXBMFYSA-N 342.443 2.714 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)CCc2n[nH]c(C)c2C)C[C@@H]1O 210206322 GCPFGTRPAXVSDK-HOCLYGCPSA-N 347.484 2.706 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cn2cccc2)CC1 1704335526 BDGOFCJDTGSKGR-UHFFFAOYSA-N 340.423 2.587 0 50 EFAA CS(=O)(=O)c1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1 1772810554 JUPXRMPCJRRHMG-UHFFFAOYSA-N 340.404 2.973 0 50 EFAA O=C(CC[C@@H]1COc2ccccc2O1)Nc1ccc(C(=O)O)cc1 5429099 IVUYPNUFWGRCKV-CQSZACIVSA-N 327.336 2.944 0 50 EFAA Cc1cccc(CN[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 12318720 OUYZTHRHZRFNTC-GOSISDBHSA-N 343.858 2.977 0 50 EFAA O=C(CCc1ccco1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 12452625 NLQUKIHAJZGFMI-QGZVFWFLSA-N 349.390 2.789 0 50 EFAA Cc1sc2ncc(C(=O)N(C)Cc3ccccc3)c(=O)n2c1C 16650116 LVJWBIHBNDBCAE-UHFFFAOYSA-N 327.409 2.645 0 50 EFAA CN1CCN(c2ccc([C@@H](O)c3ccc(Cl)cc3)cc2N)CC1 16651789 WDKQMONFNDCHNZ-SFHVURJKSA-N 331.847 2.756 0 50 EFAA CC[C@@]1(C(=O)N2CCSCC2)C[C@@H]2CC[C@H]1N2C(=O)c1ccco1 1857672793 IGSUTYSFIXUIEB-JCKWVBRZSA-N 348.468 2.628 0 50 EFAA COc1ccc([C@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C(F)(F)F)cc1 225401199 SUAHNKGKFVIYBU-SYQHCUMBSA-N 344.333 2.918 0 50 EFAA Cc1cccc(C[C@H](CO)NC2CCN(c3nc(C)cs3)CC2)c1 328588076 QUTSUMQFEITCPZ-GOSISDBHSA-N 345.512 2.922 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@H]1CCCCO1 328615996 BHGYDLGEFMPCFZ-NSHGMRRFSA-N 345.487 2.882 0 50 EFAA C[C@](CO)(CNCc1ccc(N2CCCC2)nc1)c1ccccc1 342223563 IEWUGZAYKBNQRO-HXUWFJFHSA-N 325.456 2.722 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc2c1CCC2 346442837 ZUUUTSZZPACCFN-IBGZPJMESA-N 334.419 2.706 0 50 EFAA O=C(NC[C@H]1Cc2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 137219995 QSSIVPATMDKBGG-VQIMIIECSA-N 338.407 2.815 0 50 EFAA O=C(c1ccc(-c2cncnc2)cc1F)N1CCO[C@H](C2CC2)C1 368890519 VISWJUATTRANAX-KRWDZBQOSA-N 327.359 2.534 0 50 EFAA Cc1ccccc1[C@@H]1CN(S(=O)(=O)CCC(F)(F)F)CCO1 375186514 CJUBDVVNLZQGQF-ZDUSSCGKSA-N 337.363 2.651 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c1 263405009 HLHBZMVVOSCBEJ-OAHLLOKOSA-N 342.370 2.923 0 50 EFAA CCN1CCN(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 263683963 OHNRFAIQRXOQRB-SFHVURJKSA-N 333.451 2.517 0 50 EFAA C[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc21 916151194 BSIBZNFXWLWXKP-KGLIPLIRSA-N 337.423 2.732 0 50 EFAA COc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(C)c1 266129618 XWPKZQUBTNLELY-UHFFFAOYSA-N 339.439 2.793 0 50 EFAA Cn1cnc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)n1 817148960 AHPTXQWZLAPEHC-UHFFFAOYSA-N 330.351 2.678 0 50 EFAA Cc1csc(C)c1S(=O)(=O)N(CCO)c1ccc(F)cc1F 901906033 GBVPVRHPFCHPTG-UHFFFAOYSA-N 347.408 2.831 0 50 EFAA Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CC(=O)O)c1 905186704 BDJTXDFMGHJHMO-LLVKDONJSA-N 331.821 2.666 0 50 EFAA CC[C@](NC(=O)c1cnc(C)n1C)(C(=O)O)c1ccc(Cl)cc1 909606649 GLMCXGYPQQCMJO-MRXNPFEDSA-N 335.791 2.502 0 50 EFAA Cc1cnc(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2C(C)C)cc1C 827460327 XSBCCWPNJGSGOI-RHSMWYFYSA-N 328.416 2.736 0 50 EFAA COc1ncc(C)cc1NC(=O)c1cc(C)c(OCC(=O)O)c(C)c1 832653808 AHJDUXDIEYRRBH-UHFFFAOYSA-N 344.367 2.731 0 50 EFAA FC(F)(F)c1ccc(OC2CCN(Cc3csnn3)CC2)nc1 932226600 STYAZXDOOYHPCM-UHFFFAOYSA-N 344.362 2.995 0 50 EFAA O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc(OC(F)F)nc1 935740169 IOHBHPIIFDPOFF-JTQLQIEISA-N 338.314 2.552 0 50 EFAA Cc1ccccc1NC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CC1 1857800111 XKQBZBGIZXVILI-UHFFFAOYSA-N 348.424 2.898 0 50 EFAA Cc1cn(-c2ccccc2)[nH]c1=NC(=O)c1ccc(CN)nc1C1CC1 2325727110 WEIKYNFFIBKCMH-UHFFFAOYSA-N 347.422 2.586 0 50 EFAA C[C@@]1(O)CCC[C@H]1NC(=O)CCn1c(C2CC2)nc2ccccc21 2325770103 CMICLBAGDXWGEQ-VQIMIIECSA-N 327.428 2.724 0 50 EFAA CN(C)c1ncn(-c2cccc(NCc3ncc(C(C)(C)C)[nH]3)c2)n1 2325773968 JUNAQDFWGVIGIT-UHFFFAOYSA-N 339.447 2.966 0 50 EFAA Cc1cnsc1NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C 2325793368 RHRQNEDTSFCKQJ-HNNXBMFYSA-N 347.440 2.610 0 50 EFAA CCc1c[nH][nH]c1=NC(=O)Nc1cc(Cl)c(Br)cn1 2325840586 HIUJQSCRSAQHRU-UHFFFAOYSA-N 344.600 2.849 0 50 EFAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@@H]1CCCCO1 2325842064 NGRSGCWRASQTPZ-OLZOCXBDSA-N 333.363 2.552 0 50 EFAA CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](O)CS3 187267 CYBSYWIYKWPANZ-KZULUSFZSA-N 328.437 2.601 0 50 EFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCCC1 219211 RNMQNJCHCYCUFD-UHFFFAOYSA-N 325.412 2.749 0 50 EFAA CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 465358 BDKXZWPRERLGJY-UHFFFAOYSA-N 338.816 2.843 0 50 EFAA C[S@](=O)C1(CNC(=O)c2cc3ccccc3c(Cl)n2)CCC1 225499740 PEUVOSBLCFHRSD-QFIPXVFZSA-N 336.844 2.919 0 50 EFAA O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cccc2c1OCCO2 225497582 UALRSRSAVHHUJS-INIZCTEOSA-N 344.455 2.985 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c(F)c1 225679347 QPAIGYIYVVQVIT-DYVFJYSZSA-N 333.334 2.922 0 50 EFAA CCC(=O)Nc1ccc(OCC(=O)N(C)[C@@H](C)c2ccon2)cc1 55107611 DZOWLAFFWQCQRL-LBPRGKRZSA-N 331.372 2.622 0 50 EFAA COCc1ccc(CN2CCC[C@@H](N(C)CCc3ccccn3)C2)o1 20908816 UCIBBXYOWYQOIB-GOSISDBHSA-N 343.471 2.960 0 50 EFAA Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 20367256 SDZSAHMPZYUGFD-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA Nc1ccnc(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)n1 135141011 LILFGYFRCAJRFH-IRXDYDNUSA-N 326.444 2.927 0 50 EFAA CC(C)(C)c1cn2c3ccccc3n(CCN3CCOCC3)c2n1 20149909 HUBFXZZXLSNYSG-UHFFFAOYSA-N 326.444 2.919 0 50 EFAA CCC(CC)n1ncc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c1C 347553183 BXFOWOWNGSHBOW-GFCCVEGCSA-N 347.419 2.661 0 50 EFAA COc1ccc2nc(CNC(=O)Cc3nc(C)sc3C)[nH]c2c1 67563165 WBKVIPXFGXHOLW-UHFFFAOYSA-N 330.413 2.504 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 249521890 VVODOZXVFDTMMV-NZVBXONLSA-N 334.441 2.691 0 50 EFAA CCN(CC)Cc1nnc2sc(COc3cccc(C)c3)nn12 67239787 DBXMJZBSKHOONY-UHFFFAOYSA-N 331.445 2.915 0 50 EFAA CC[C@@H](O)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 67879845 ZZCVYBXREPBIJQ-QGZVFWFLSA-N 327.428 2.862 0 50 EFAA C[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccc(Cl)cc1 20207071 OFBLZCQMCSMCEF-GFCCVEGCSA-N 349.818 2.651 0 50 EFAA Cc1cc(OCC(=O)N2CC[S@](=O)CC[C@H]2C)ccc1C(C)C 252506908 WDAPTZZCZRYXRJ-IQMFZBJNSA-N 337.485 2.867 0 50 EFAA CC(C)NC(=O)NCc1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1 357879082 JARPHJMAGKYSPX-UHFFFAOYSA-N 341.415 2.747 0 50 EFAA O=C(NCc1cccc(-n2cccn2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230156335 KVBCPBDGGKFFLP-KSZLIROESA-N 340.427 2.629 0 50 EFAA COC(=O)CN1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 67788736 ZMNVQBQTHYXVGW-UHFFFAOYSA-N 327.380 2.735 0 50 EFAA COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(C)ccc3O)C2)c1 5029329 LOTXRESHRKMKOO-QGZVFWFLSA-N 326.352 2.841 0 50 EFAA CC(C)c1nccc(-c2nccn2Cc2cccc(-c3nnn[nH]3)c2)n1 77438024 RWCORYWCYXQQCE-UHFFFAOYSA-N 346.398 2.692 0 50 EFAA CC(C)(C)c1cc(-c2nccn2[C@H]2COC[C@@H]2N2CCCCC2)n[nH]1 77298406 KCEXHLUOTTUAIG-HOTGVXAUSA-N 343.475 2.997 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cncn1Cc1ccccc1 72135163 XXSQRTSRMZTKIY-FQEVSTJZSA-N 339.439 2.993 0 50 EFAA CC(C)Cn1cc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328655176 YCLRGYVKRUCJJZ-OALUTQOASA-N 327.476 2.717 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)C1=Cc2ccccc2OC=C1 219315424 MNTIQIMNEUXYHC-MJGOQNOKSA-N 341.407 2.676 0 50 EFAA Cc1nn(CC(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)c(C)c1C 72129805 MRRIZOTUFBEPGD-HNNXBMFYSA-N 341.411 2.523 0 50 EFAA C[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)CCN1Cc1ccccc1 173530549 MJYQXWCPXOLXOX-OAHLLOKOSA-N 349.438 2.695 0 50 EFAA C[C@H](CC(=O)N1CCC(c2nc[nH]n2)CC1)Cc1cccc(F)c1 365921236 MCMNLSZQRPIGHX-ZDUSSCGKSA-N 330.407 2.919 0 50 EFAA CCn1ccc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C)COC)cc1=O 215283959 XNWCSKBEFWOXAM-AWEZNQCLSA-N 346.402 2.685 0 50 EFAA O=C(O)c1cc(CN2CCCC[C@H]2CCn2ccnc2)ccc1O 77505000 ZKYRCJKPHPSLBE-HNNXBMFYSA-N 329.400 2.732 0 50 EFAA Cn1ncc2c1C[C@@H](c1nc(-c3ccnc(OC(F)F)c3)no1)CC2 377472216 PUCXUYZWSLLQQW-JTQLQIEISA-N 347.325 2.739 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C)(O)CC2)c1 284367102 RDNICDICPOEHLN-UHFFFAOYSA-N 331.865 2.999 0 50 EFAA COc1cc(OC)c(NC(=O)N2CCN(C(C)C)CC2)cc1Cl 13323167 ROGQXZAUVZUNNM-UHFFFAOYSA-N 341.839 2.915 0 50 EFAA Cc1cc([C@@H]2CCCCN2C(=O)CSc2nnc(C)s2)no1 219682492 SRXOVIAIIFHLJI-LBPRGKRZSA-N 338.458 2.989 0 50 EFAA COc1ccc(C)cc1[C@@H](C)NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333573013 IVVUTONZWNYPNI-QMQAMEMWSA-N 328.412 2.659 0 50 EFAA Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1cnc2cnccn12 372417262 VAXZLDMBLNKEAI-CYBMUJFWSA-N 330.823 2.762 0 50 EFAA CC(C)c1nc(NC[C@@H](C)Oc2cccnc2)c2cnn(C)c2n1 72170070 FSEGZYNDBWKXGY-GFCCVEGCSA-N 326.404 2.761 0 50 EFAA O=C([C@H]1CC12CCNCC2)N1CCC(c2c[nH]c3ncccc23)CC1 237994003 CQRGCPAEJOQNMD-QGZVFWFLSA-N 338.455 2.659 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc4nc(S)oc4c3)[C@H]2C1 242304986 YTUQRSOWEDIGLE-KWCYVHTRSA-N 348.424 2.525 0 50 EFAA CO[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)cn2)CC1(C)C 455549480 XFZXZGJZRGTTOS-NSHDSACASA-N 329.347 2.962 0 50 EFAA Fc1cccc(CN2CCOC[C@H]2c2ncnn2-c2ccccc2)c1 284757386 LWHAASGOKINLHQ-SFHVURJKSA-N 338.386 2.980 0 50 EFAA COCC1(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)CCC1 72421600 LGGGBNNGRPKJLU-INIZCTEOSA-N 334.435 2.723 0 50 EFAA CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C2OCCO2)CC1 175008843 JCEWADSVOPCYIF-GJZGRUSLSA-N 342.505 2.845 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ocnc2C2CC2)C1(C)C 496222611 BVNJCVKFAVAJIT-NWDGAFQWSA-N 349.431 2.974 0 50 EFAA Cc1noc(C)c1CCC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 49510157 WBKAOTSOFIBDAD-UHFFFAOYSA-N 341.411 2.684 0 50 EFAA Cc1ccsc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnoc1C 342109521 HFHOADRVSDSVTL-KBPBESRZSA-N 337.420 2.695 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2ccco2)C1 176831317 QOKDUNLZGLCCGT-QGZVFWFLSA-N 325.368 2.538 0 50 EFAA CC1=CCC[C@H](C)[C@H]1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 225515007 KRLFEBASHXAORQ-OTWHNJEPSA-N 333.520 2.607 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](CN)C2)c2cc(Br)ccc2n1 178527339 OUOUGJXLHNVHGL-LLVKDONJSA-N 348.244 2.727 0 50 EFAA CCC[C@@H]1CN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1NC(C)=O 82108527 NAZYWQGIJPLGPO-CZUORRHYSA-N 340.826 2.785 0 50 EFAA Cc1nc(NCc2ccco2)sc1C(=O)NCc1cccnc1 44920669 MXMFPBLIAKQQCE-UHFFFAOYSA-N 328.397 2.982 0 50 EFAA C[C@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)N(C)C1CCCCC1 82108505 LKPBBDUPMKHESN-MRXNPFEDSA-N 343.471 2.515 0 50 EFAA O=C(CCc1cn2ccccc2n1)NCCN1CCCc2ccccc21 97499583 ZDKDXDIXIBBOOG-UHFFFAOYSA-N 348.450 2.836 0 50 EFAA Cc1nc2cc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)ccc2s1 97805484 BFCCBGBHGDIVQU-HNNXBMFYSA-N 347.484 2.788 0 50 EFAA O=C(O)CN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 238162593 NRZLMQFYFIMGMD-UHFFFAOYSA-N 334.416 2.756 0 50 EFAA COc1ccccc1OC1CN(CCC(=O)NC2CCCCCC2)C1 244723615 MENRMUGHFPQGKV-UHFFFAOYSA-N 346.471 2.987 0 50 EFAA Cc1ccc(CN(C(=O)CN2CC[C@H](N(C)C)C2)C2CCCC2)cc1 252482695 DMDINFFIYCMKOQ-FQEVSTJZSA-N 343.515 2.902 0 50 EFAA O=C1NC[C@H](NCc2cccs2)n2nc(-c3ccc(F)cc3)cc21 263617029 LTBGXCRLOHMQJD-MRXNPFEDSA-N 342.399 2.783 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)N2CC(Oc3c(C)cccc3C)C2)n[nH]1 534660152 AZBSOYNFASOHAO-AWEZNQCLSA-N 342.443 2.739 0 50 EFAA CC(C)C(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 374227273 AHJJKSGJAGYIOT-SFHVURJKSA-N 344.455 2.561 0 50 EFAA O=C(COCC(F)(F)C(F)F)N1CC[C@H](Oc2ccccc2)C1 299773270 CFFJNFUFHYEQKK-LBPRGKRZSA-N 335.297 2.583 0 50 EFAA CCOc1ncccc1CNc1cc([C@H]2CCOC2)nc(COC)n1 299785187 JMRJWGAXBKSYKN-AWEZNQCLSA-N 344.415 2.533 0 50 EFAA Cc1nn(CCCNC(=O)Cc2n[nH]c3ccccc23)c(C)c1Cl 299772393 VSRFMDNTFCHEPP-UHFFFAOYSA-N 345.834 2.779 0 50 EFAA COc1ccc(-c2cccc(C(=O)N3CCN[C@H](C)C3)c2)c(OC)c1 299791434 CSFQDNAEGDUHLW-CQSZACIVSA-N 340.423 2.805 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)Nc1ccnn1Cc1cccs1 299782128 FSXQCUBORSXHGT-UHFFFAOYSA-N 342.428 2.526 0 50 EFAA CCN1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CCN(C)CC1 299787383 QKKDCEIJTWGBSO-LJQANCHMSA-N 343.515 2.641 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H](C)Cn2cccn2)c2cccnc12 824645518 BJSHNWWKHJVHNT-CQSZACIVSA-N 338.411 2.735 0 50 EFAA COc1cc(Cc2nc(C)nn2-c2ccncc2)cc(OC)c1OC 670433990 AACKOCRWRZZJOY-UHFFFAOYSA-N 340.383 2.587 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cc2ccnc(O)c2cn1 1875290315 RSMIBGFEVWZWBF-STQMWFEESA-N 342.399 2.533 0 50 EFAA O=C(Nc1nc(-c2cccnc2)cs1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875288555 MBTQEMOLHYNGTQ-ITGUQSILSA-N 330.413 2.725 0 50 EFAA Cc1cnn(Cc2ccc(C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)c1 1875280500 PVMMSRUFWASSNI-GOSISDBHSA-N 349.438 2.983 0 50 EFAA C[S@](=O)c1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 1875360718 HSPQIDPOSURGQZ-BSEYFRJRSA-N 345.420 2.696 0 50 EFAA O=C(NC1(c2nc(C3CC3)no2)CCOCC1)C1C2CCC1CC2 1875312248 YEMGFXHTTNQDRW-UHFFFAOYSA-N 331.416 2.505 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)cn1 1875398629 ZMPYYXIIIOHISE-RAIGVLPGSA-N 326.322 2.549 0 50 EFAA CC(C)(C)C(=O)NCCCc1nnc(COc2ccccc2F)o1 952874722 SWHNNCLBAYPRSC-UHFFFAOYSA-N 335.379 2.883 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3cnn4c3CCCC4)cc2)n1 952993484 NTDVLOIVOCKRTJ-UHFFFAOYSA-N 349.438 2.952 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)C1 952872078 HSEAWRHPUKKXBZ-AWEZNQCLSA-N 332.429 2.898 0 50 EFAA COc1nc(NC[C@H]2CCCN(CCc3ccccc3)C2)ncc1F 952984158 OOPFEHVDDLKMPM-MRXNPFEDSA-N 344.434 2.991 0 50 EFAA Cn1cc([C@@H]2OCCC[C@H]2c2nnc(-c3ccncc3F)o2)cn1 886095068 LKUFXZZJOXXGJK-OCCSQVGLSA-N 329.335 2.640 0 50 EFAA O=C(C1CCOCC1)N1CCCN(Cc2cc3ccccc3o2)CC1 980612251 AQUFGNISFFSIGU-UHFFFAOYSA-N 342.439 2.894 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)NCc1noc2c1CCCC2 894881120 JUWBFOFOTPAAFO-UHFFFAOYSA-N 339.399 2.509 0 50 EFAA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NCCc1ccc2ncccc2c1 899835938 QRNICRIBSTUBLS-DNVCBOLYSA-N 326.396 2.640 0 50 EFAA O=C(c1ccnc(O)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 305096260 SVWWCIZEZAZRKM-QGZVFWFLSA-N 330.359 2.512 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 408520808 XVZBDSABRRXPCX-LLVKDONJSA-N 349.353 2.899 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1C 170593615 GGFXAXAEXFTHOO-HNNXBMFYSA-N 336.863 2.751 0 50 EFAA Cc1cc(O)nc(C(C)(C)NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 636112494 YKARHRCGDLANNW-APHBMKBZSA-N 325.412 2.892 0 50 EFAA CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccon2)n1 190098675 RQOSELFWUZCTGI-SNVBAGLBSA-N 336.373 2.677 0 50 EFAA Cn1nccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 191274616 IJXORPWLRBLPFT-NSHDSACASA-N 339.226 2.736 0 50 EFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCc1cncn1C 193233332 IJCUDTFFOWAFMH-GUYCJALGSA-N 347.846 2.995 0 50 EFAA CCCn1nccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 193662809 FXFPEBCWLPTUTE-KRWDZBQOSA-N 341.459 2.937 0 50 EFAA COc1ccccc1CN1CCN(CCN2C[C@H](C)C[C@@H](C)C2)CC1 659874757 IERSTTQWTDPDBR-RTBURBONSA-N 345.531 2.791 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)NCc2cccc(OC3CC3)c2F)[C@@H](C)O1 661322807 VNDKXHVZUPJJDG-YRGRVCCFSA-N 336.407 2.980 0 50 EFAA O=C(Nc1ccsc1)N1CC2(CC(=O)N2Cc2ccccc2)C1 1215864822 XNZXMWIORPPWDT-UHFFFAOYSA-N 327.409 2.767 0 50 EFAA CSCC[C@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)C(=O)O 1506408142 VMCYJHIUMROHDO-SFHVURJKSA-N 348.512 2.940 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(CC(=O)NCC2CCCCC2)C1 1506417579 AOSKFVPASZZVQD-FQEVSTJZSA-N 330.472 2.585 0 50 EFAA CCc1c(C)noc1NC(=O)[C@@H](CC)N1Cc2ccccc2C1=O 1506410019 CNBHACGYEGUPJG-OAHLLOKOSA-N 327.384 2.919 0 50 EFAA Cc1nc2cc(C(=O)Nc3nnc(CCN(C)C)s3)ccc2s1 1529145465 JYPWVPADPWLHFG-UHFFFAOYSA-N 347.469 2.813 0 50 EFAA Cc1cccc(Cl)c1NC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529168798 LZPIXUZGWSSVCD-GDBMZVCRSA-N 349.862 2.975 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1607787446 DMZJBWXNCDCZQI-MEDUHNTESA-N 338.791 2.603 0 50 EFAA Cc1noc(CNC(=O)Cc2cc(Cl)ccc2Br)n1 408513605 BYRDBAIKWFAHBW-UHFFFAOYSA-N 344.596 2.653 0 50 EFAA CN1CCC[C@]2(CO)CCN(c3ncc(Cl)cc3Cl)C[C@@H]12 1704307549 JSQGYWLKVGEYGO-UKRRQHHQSA-N 330.259 2.671 0 50 EFAA c1cc2c(cc1CN1CCC[C@]3(CCc4c[nH]nc43)C1)OCCO2 1800413410 GRDOTARNJAVQGH-IBGZPJMESA-N 325.412 2.661 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(CC(F)(F)F)cc1)C2 1772708007 BBYHPXDKUSICEU-HZPDHXFCSA-N 329.362 2.622 0 50 EFAA Cc1nc(N)[nH]c1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 1775983123 SEIYNNBFUOWELE-GFCCVEGCSA-N 344.806 2.807 0 50 EFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCC(C4(O)CC4)CC1)(C3)C2 1772814436 ZGAVIAAELSQGPJ-XWPNQZOQSA-N 347.499 2.861 0 50 EFAA COC(=O)c1ccc(NC(=O)CSc2nc(CC(C)C)n[nH]2)cc1 5685988 JQZYDFQNDOOZLJ-UHFFFAOYSA-N 348.428 2.521 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc[n+]([O-])c1 15061514 ZMXYIWVSDCMOHM-UHFFFAOYSA-N 335.363 2.746 0 50 EFAA Cc1ccc(C)c(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1 19772731 AUXMGDFJIRXPGJ-HXUWFJFHSA-N 340.467 2.865 0 50 EFAA CCC[C@@]1(CO)CN(Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1O 1857737724 ZWUQXAAMLPBHEH-HOTGVXAUSA-N 347.377 2.931 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 328611809 MRRZIHWQFPJGPA-IUODEOHRSA-N 344.346 2.601 0 50 EFAA CC(C)[C@](C)(O)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 332231154 DNPFBTWGGJKCSF-ICSRJNTNSA-N 332.488 2.812 0 50 EFAA O=C(O)C[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Cl 656714130 WQWHBFRAEIAAIP-GFCCVEGCSA-N 349.811 2.638 0 50 EFAA O=C(O)[C@@]12CN(Cc3cccc(Cl)c3)C[C@@H]1CN(CC1CCC1)C2 247440076 XDPBIOCRJDRBMF-LPHOPBHVSA-N 348.874 2.959 0 50 EFAA Cc1cccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1Cl 253433553 YHNRVFRILHMDMB-HNNXBMFYSA-N 344.846 2.766 0 50 EFAA CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC2CCOCC2)C1=O 265290243 CBBKWUXIRDLGRH-QGZVFWFLSA-N 336.819 2.924 0 50 EFAA C[C@@H](Cc1ccc(N[C@H](C)C2CCS(=O)(=O)CC2)cc1)C(=O)O 901730516 BRFXBHLELKNATG-QWHCGFSZSA-N 339.457 2.575 0 50 EFAA CS(=O)(=O)C1CCC(CNc2ncnc3sccc23)CC1 905012006 AZIRXLGETYKXJJ-UHFFFAOYSA-N 325.459 2.707 0 50 EFAA C[C@@H](NC(=O)Cn1ccc(C(=O)O)n1)c1csc(C(F)(F)F)c1 908045213 WGXUSGFXXLCPAT-SSDOTTSWSA-N 347.318 2.539 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1CCC(=O)O)CO2 909550640 BHQZANUIRYAJCR-INIZCTEOSA-N 325.364 2.876 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)c2ncccc12 825287420 ADHAHHWVLKPNQQ-GFCCVEGCSA-N 337.383 2.528 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 67475 OFLFPNJNGFZVLG-GFCCVEGCSA-N 328.290 2.896 0 50 EFAA CC(=O)c1ccc(OCC(O)COc2ccc(C(C)=O)cc2)cc1 307784 JLEZFEXCHDKALY-UHFFFAOYSA-N 328.364 2.911 0 50 EFAA O=C(O)[C@H]1C[C@](O)(C2CCN(CCc3cccc(Cl)c3)CC2)C1 2325787133 DIYNOULASHRURC-UJKQEGAGSA-N 337.847 2.820 0 50 EFAA C[C@@H]([C@@H](C)NC(=O)c1cccc(C(=O)c2ccccc2)c1)n1cncn1 2325865072 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339.457 2.661 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cc1 225467532 SVIAHDAEZSLCIA-UHFFFAOYSA-N 348.399 2.578 0 50 EFAA C[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)C[C@H]1N1CCOCC1 246879219 GNMVGRAKXZFMSZ-YVWKXTFCSA-N 342.483 2.676 0 50 EFAA O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCCO1 225710061 MKHGUATZCJQLDF-VXGBXAGGSA-N 326.190 2.568 0 50 EFAA OCCCc1cn(CCCO[C@@H]2CCCCO2)nc1C(F)(F)F 225828047 JXENDEBOAWFWNM-CYBMUJFWSA-N 336.354 2.760 0 50 EFAA CCc1noc(CN(CC)[C@@H](C(=O)O)c2cc(C)ccc2OC)n1 55414988 UZXBBDGTMJRBPX-MRXNPFEDSA-N 333.388 2.597 0 50 EFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 115637746 IVGUOVGEKUAQQD-UKRRQHHQSA-N 333.391 2.941 0 50 EFAA COC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 55199476 WTAUINHCCJUIRQ-GFCCVEGCSA-N 329.352 2.779 0 50 EFAA CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 248539119 AKXFDJKJXUVDPB-IVMMDQJWSA-N 343.427 2.544 0 50 EFAA COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2F)cc1 347368799 NAADYSJBKOLTHV-UHFFFAOYSA-N 333.315 2.882 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1F 348270798 YPWUJQQVDIULFK-GOEBONIOSA-N 333.334 2.922 0 50 EFAA Cc1noc(C)c1CNC(=O)c1ccccc1S[C@H](C)C(=O)O 137152903 GFLKKZPDVYGMIS-LLVKDONJSA-N 334.397 2.787 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1cc(OC)c3c(c1)OCO3)C2 23340534 XLEBDICIUVMPGY-AWEZNQCLSA-N 343.379 2.526 0 50 EFAA COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 171462419 XMZTXFPKWYSIKZ-NEPJUHHUSA-N 325.792 2.519 0 50 EFAA COc1cccc(-c2ccc(C(=O)N[C@H](C)c3nncn3C)o2)c1 67847761 PUSQESMQBPQFIT-LLVKDONJSA-N 326.356 2.575 0 50 EFAA CC(C)C[C@@H](O)C1CCN(c2nc(CCN)nc3ccccc23)CC1 65398846 KMQDSDHTQBREKG-GOSISDBHSA-N 342.487 2.754 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 229500940 SAISOOIRVFJUKA-KBMXLJTQSA-N 341.411 2.896 0 50 EFAA CSc1cccc(CN2CCC(Cn3cc([C@H](C)O)nn3)CC2)c1 20598882 IHVYDEYHIPSSQM-AWEZNQCLSA-N 346.500 2.966 0 50 EFAA Cc1cc(=NCC(C)(C)N2CCN(C)CC2)c2cc(F)ccc2[nH]1 1506415926 RJLJLENAKXOGRN-UHFFFAOYSA-N 330.451 2.542 0 50 EFAA CN(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)ccc2o1 230277748 YQZSNGVORSNGTI-GUTXKFCHSA-N 344.415 2.973 0 50 EFAA COc1ccc(C(C)=O)cc1CN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 252463447 SGGJTFUZVDFRBH-PVAVHDDUSA-N 330.428 2.516 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)o1 328609150 CJFYLZRYAWPYKS-AWEZNQCLSA-N 327.340 2.646 0 50 EFAA CCn1ccnc1CN(Cc1cccnc1C)[C@@H]1CC12CCNCC2 328621757 ATBSGULJLNRSRV-GOSISDBHSA-N 339.487 2.751 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCN(c3ccnc(C4CC4)n3)CC2)no1 328638525 PCPRWZJLRANRKM-HNNXBMFYSA-N 342.447 2.536 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccn2C2CC2)o1 328608658 AWYLQYSPVJYMFU-AWEZNQCLSA-N 330.388 2.543 0 50 EFAA Cc1cccc(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)n1 72448463 ZYFNNLFGCMLODP-UHFFFAOYSA-N 336.395 2.820 0 50 EFAA CCCn1ccc2ccc(NC(=O)N3CC(=O)N(C)[C@H](C)C3)cc21 282843994 VUNOPLYOYQRQMU-CYBMUJFWSA-N 328.416 2.746 0 50 EFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cn(C)nc2C)C1 77438012 HLKMTIZSLHKXRZ-INIZCTEOSA-N 327.428 2.968 0 50 EFAA Cc1nc2ncc3c(=O)n(-c4ccccc4C(F)(F)F)ccc3n2n1 30875084 GOAHNFRGMKOBNR-UHFFFAOYSA-N 345.284 2.756 0 50 EFAA Cc1cc(C2CCC2)nc(N2CCC(CN3CCOCC3)CC2)n1 77321971 PAMRNSKVOFBECC-UHFFFAOYSA-N 330.476 2.601 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@H](CN2CCCCC2)C1 173249608 JNTFZHPXQIHSGU-AWEZNQCLSA-N 331.416 2.755 0 50 EFAA CC(C)OCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71552198 XQHKHOPNBNJJTI-MISYRCLQSA-N 328.456 2.500 0 50 EFAA O=C(Nc1ccn(Cc2ccncc2)n1)N[C@H]1CCOc2ccccc21 173293818 JVCXFYSZNIRRNQ-INIZCTEOSA-N 349.394 2.972 0 50 EFAA O=C(O)c1cc(-c2cccc(O)c2)cc(S(=O)(=O)N2CCCC2)c1 71752712 OBTQUZLLEMAMBO-UHFFFAOYSA-N 347.392 2.542 0 50 EFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3OC(C)(C)C2)cn1 377436720 RWOKNSSPFGNTKE-JKSUJKDBSA-N 325.412 2.723 0 50 EFAA COc1ccc(C(=O)N[C@H](C(=O)O)c2ccc(C)c(C)c2)cc1OC 262885051 HBGKPNJBTYPXEX-KRWDZBQOSA-N 343.379 2.876 0 50 EFAA FC(F)(F)c1ccc2c(N3CCN4CCOC[C@H]4C3)nccc2c1 450441002 PEPABHGRIPSHLK-CQSZACIVSA-N 337.345 2.774 0 50 EFAA C[C@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCOCC1 77439930 DFDMFMNKLKCWPO-OAHLLOKOSA-N 342.443 2.674 0 50 EFAA O=C(O)CCCN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72137275 AXCLLHMEDZODFB-QXAKKESOSA-N 332.419 2.553 0 50 EFAA O=C(NCC1CCC(F)(F)CC1)N1CCC[C@@H](Cn2ccnn2)C1 374396117 RAXYWNLRKDDUDA-CQSZACIVSA-N 341.406 2.525 0 50 EFAA CC[C@H]1CN(C(=O)c2cc(C)on2)CCC(=O)N1Cc1ccccc1 71755214 SLMNVVOSLHOPGM-INIZCTEOSA-N 341.411 2.636 0 50 EFAA C[C@H](c1ccc2ccccc2c1)N1CCO[C@H](CN(C)CC(=O)O)C1 262903700 PYAAKERJOTZGCU-DNVCBOLYSA-N 342.439 2.618 0 50 EFAA CC1(C)CN(Cc2ccc(CO)o2)C[C@H](COc2ccccc2)O1 284684699 ZVMLGOMEESEMKP-GOSISDBHSA-N 331.412 2.830 0 50 EFAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ncncc1Cl 175192039 RWKIZKYCBXKZJQ-UHFFFAOYSA-N 346.749 2.897 0 50 EFAA Cc1cc(=O)cc(C(=O)NC[C@H]2CCN(c3ccccc3C)C2)o1 220336347 VRKXVYMJRBYLHO-OAHLLOKOSA-N 326.396 2.513 0 50 EFAA c1ccc2c(c1)CC(N[C@@H]1CCOC[C@H]1OCc1cscn1)C2 223079498 VEEGPAHXLYSTHB-QZTJIDSGSA-N 330.453 2.574 0 50 EFAA 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MNXWTHYZXPNAGD-UHFFFAOYSA-N 327.388 2.853 0 50 EFAA COc1cccc2ccc(CN3CCC4(CC3)OCCC[C@@H]4O)nc12 95357723 KJLLFGRCPARMLL-SFHVURJKSA-N 342.439 2.749 0 50 EFAA CN(C)C(=O)CCc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1 96163683 BTYHIBDLFHDTSW-INIZCTEOSA-N 347.459 2.646 0 50 EFAA Cc1cc(C)n(C2CN(Cc3sc(N(C)C)nc3Cl)C2)n1 97756324 FRYYNXMAJVDCKY-UHFFFAOYSA-N 325.869 2.733 0 50 EFAA Cc1cc(N2CCN(c3ncnc4[nH]ccc34)CC2)nc(C(C)C)n1 299620482 HTZJNPIAIXAASG-UHFFFAOYSA-N 337.431 2.506 0 50 EFAA CCc1cc(C(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@H](O)C2)cs1 252523150 BZEOCHPVCWCFTD-SUYBPPKGSA-N 346.452 2.956 0 50 EFAA CN(C(=O)CCCc1nc(-c2ccncc2)no1)C1CCSCC1 299790311 BKTYUUQKSXHXTN-UHFFFAOYSA-N 346.456 2.808 0 50 EFAA O=C([C@@H]1CCCNCC1)N1CCCN(CCCc2ccccc2)CC1 299786926 YFWCBFLLUKRKDR-HXUWFJFHSA-N 343.515 2.543 0 50 EFAA CCSc1ccccc1NC(=O)N[C@H](C)c1nncn1CCOC 299777277 DQBQNYFOGBDZOP-GFCCVEGCSA-N 349.460 2.919 0 50 EFAA Cn1cnnc1SCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 299773725 FIZYXBQIAHXFHH-ZFWWWQNUSA-N 348.447 2.574 0 50 EFAA CC1(C)CCc2ccccc2[C@H]1NC(=O)/C=C/CN1CCOCC1 866923905 OMZNRZOEDRYPDZ-MTCRFPMVSA-N 328.456 2.705 0 50 EFAA Cn1c(C(=O)N2CCC[C@H]2c2nccc(O)n2)cc2sccc21 1875296092 YLYXBOORTMVQEL-NSHDSACASA-N 328.397 2.713 0 50 EFAA O=C(NCc1nccc2c1CCCC2)c1cnc(C2CCC2)nc1O 1875278681 VLMLHYRYMQUYLN-UHFFFAOYSA-N 338.411 2.654 0 50 EFAA CC[C@H]1CN(C)CCN(C(=O)c2cnc3c(cnn3CC(C)C)c2)C1 1875278477 CJMSMNIOAWVCIK-HNNXBMFYSA-N 343.475 2.501 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc(-c3cccnc3)c2F)cn1 1875381838 IZYQLAVVCNWRAO-VOIUYBSRSA-N 338.386 2.884 0 50 EFAA O=C1C[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)CO1 1875341350 PUFMRNWPXLZMEY-LLVKDONJSA-N 339.376 2.860 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C[C@@]23CNC[C@@H]2C3)C1 952891430 DQYXAKIWLNPHPK-LAUBAEHRSA-N 336.483 2.866 0 50 EFAA COC[C@]1(C(=O)OC(C)(C)C)CCCN1Cc1cnn(C(C)C)c1 952963827 LJRVJEDYOAWDJY-SFHVURJKSA-N 337.464 2.787 0 50 EFAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 954918269 KWICHLQHPZOMNC-INDMIFKZSA-N 338.451 2.505 0 50 EFAA Oc1nc2cc(Cl)ccc2cc1CNCCCN1CCC[C@H](O)C1 952984362 ZXFHFHCZSZAZHE-INIZCTEOSA-N 349.862 2.530 0 50 EFAA O=C(NCc1cccc2c1OCCO2)N[C@H](c1cccnc1)C1CC1 893886758 VXINISBNQHQBMS-KRWDZBQOSA-N 339.395 2.803 0 50 EFAA COc1ccc(-c2noc(C[C@H](NC3CC3)C(F)(F)F)n2)cc1 1775990621 NYRBFXSJPPKFAE-LBPRGKRZSA-N 327.306 2.971 0 50 EFAA CC[C@@H](OC)c1nc(-c2ccc(N3CCC(C(N)=O)CC3)cc2)no1 897077344 KFVOQBSNQPROTK-OAHLLOKOSA-N 344.415 2.536 0 50 EFAA Cc1csc(CN2CCCN(C(=O)CCc3ccncc3)CC2)n1 981519893 GITZJEXQIRMPJW-UHFFFAOYSA-N 344.484 2.514 0 50 EFAA C[C@H](O[C@H](C)C(=O)O)C(=O)N1CC(C)(C)c2ccc(Cl)cc21 1776008219 UUGRCIGCBWLTRH-VHSXEESVSA-N 325.792 2.842 0 50 EFAA Cc1cnc(CN2CC[C@@H](CCNC(=O)c3cncs3)C2)s1 1437918206 WVFYONPJPLLDCR-GFCCVEGCSA-N 336.486 2.550 0 50 EFAA Cc1ccc([C@H]2CN(Cc3ccc(N(C)C)nc3)C[C@@H]2N(C)C)cc1 1565530509 QHQIQTCERXLILQ-UXHICEINSA-N 338.499 2.986 0 50 EFAA Cc1ccc(F)cc1CC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565527524 TWTDSNWEOXVWCL-ROUUACIJSA-N 335.419 2.767 0 50 EFAA Cn1ncc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1Cl 1434526572 NHNXZYIDTFNZGS-UHFFFAOYSA-N 337.826 2.782 0 50 EFAA CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 275569348 GEIWLGNMVJOCKA-KURKYZTESA-N 330.476 2.734 0 50 EFAA CN(C)CCN1CCC(NCc2sccc2Br)CC1 170080504 ZAMOQMTZBCCNFL-UHFFFAOYSA-N 346.338 2.626 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N(C)[C@H]3CC(C)(C)OC3=O)c12 408517311 GQXDBFATWOVSNN-AWEZNQCLSA-N 344.411 2.662 0 50 EFAA Cc1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(C)o1 408520030 OGOCNQOOTPGCQB-ZIAGYGMSSA-N 349.431 2.620 0 50 EFAA CS(=O)(=O)N[C@H]1CCN(CC2CCC(c3ccccc3)CC2)C1 170602737 CHIXDIADMMPQGJ-VJFUWPCTSA-N 336.501 2.584 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)cc1 170618813 RQOMUWWYOQFUBO-CQSZACIVSA-N 343.387 2.707 0 50 EFAA COC(=O)c1ccccc1N(C)C(=O)c1oc(CC2CC2)nc1C 170608799 BVGLZZJWDOWCGE-UHFFFAOYSA-N 328.368 2.999 0 50 EFAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NC1CCSCC1 171364619 RFRRGTDSFPGSFP-KRWDZBQOSA-N 347.528 2.746 0 50 EFAA O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CCCOC1 171601915 JQUNLGZIBLXJHY-GFCCVEGCSA-N 345.212 2.609 0 50 EFAA CCOc1ccc2c(c1)[C@H](NC(=O)Nc1cn(C)nc1C)CCO2 189683931 WDBCBYMZWQGUBS-CQSZACIVSA-N 330.388 2.773 0 50 EFAA Cc1ccc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c(Cl)c1 191615456 LBPITCTUAHIAPD-LLVKDONJSA-N 329.849 2.686 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1scnc1C)CCO2 192362190 YOMWIFGISPTNGM-UHFFFAOYSA-N 332.381 2.667 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2noc(C3CCCCC3)n2)n1 671544043 CKLWTQZUODWGCI-ABAIWWIYSA-N 347.419 2.771 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)Cc1ncccc1C 1506417540 NKVWXWDMMNPOFV-OAHLLOKOSA-N 348.468 2.925 0 50 EFAA Cn1ccc2c(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cccc21 1529120884 RLTVJMYCPVELKW-CRAIPNDOSA-N 335.407 2.561 0 50 EFAA COC(=O)c1cc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)ccc1Cl 147789971 NOSCXKATCQTXLY-JQWIXIFHSA-N 341.791 2.649 0 50 EFAA CN1C[C@H](CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CCC1=O 1772803926 ATMBIBMHTNAMRX-CYBMUJFWSA-N 344.434 2.750 0 50 EFAA COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 5388188 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O=C(NCCC1(O)CCC1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 252496449 PIRFEIBHBHCISU-UONOGXRCSA-N 340.370 2.748 0 50 EFAA Cc1cncn1C1CCN(C(=O)c2ncccc2Br)CC1 252478337 AJOILFVXEFEJTP-UHFFFAOYSA-N 349.232 2.826 0 50 EFAA COC[C@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)C 154052579 FGOIXSHPGXCJOI-INIZCTEOSA-N 335.444 2.724 0 50 EFAA O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC([C@H]2CCOC2)C1 377013150 MWNXRVBYUCQVLI-NSHDSACASA-N 331.803 2.839 0 50 EFAA C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cnn(C)c1 266572381 WEFQEOCKPNFLBF-HIFRSBDPSA-N 330.407 2.894 0 50 EFAA Cc1nnc2ccc(NCCC3CCN(CC(F)(F)F)CC3)nn12 267250134 OCEFGESDRVZUBU-UHFFFAOYSA-N 342.369 2.509 0 50 EFAA C[C@H]1c2sccc2CCN1S(=O)(=O)c1cccc(C(=O)O)c1 903011416 XXQYKXPCQKIQIW-JTQLQIEISA-N 337.422 2.754 0 50 EFAA C[C@@]1(O)CCOC2(CCN(Cc3ccnn3-c3ccccc3)CC2)C1 1704308263 GRFVTITURGIXHJ-LJQANCHMSA-N 341.455 2.768 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCn2nc(C(F)(F)F)cc2C1 930574737 YTPHKUSAGLMRIG-UHFFFAOYSA-N 343.309 2.808 0 50 EFAA Cc1oc(-c2cccs2)nc1CN[C@@H]1C[C@@H](O)C12CCOCC2 931791592 MIDPVHHUAKVCRX-HUUCEWRRSA-N 334.441 2.731 0 50 EFAA COc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 843995184 MQOJWILHMKOEEC-ZDUSSCGKSA-N 339.395 2.716 0 50 EFAA c1ccc(Cn2ccc(Nc3nc(C4CCOCC4)ns3)n2)nc1 853261074 DECGWGIQSHYLLO-UHFFFAOYSA-N 342.428 2.816 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(c3nc(C(C)C)no3)C2)[nH]1 857298648 ZUJNHPBFYCOELF-UGSOOPFHSA-N 343.431 2.727 0 50 EFAA C[C@@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F 129628728 DCFXWGZVGRFHQD-SECBINFHSA-N 329.213 2.765 0 50 EFAA CC1(C)C[C@@H]2OCC[C@@H]2CN(CC2(O)[C@H]3[C@H]4C[C@@H]5[C@H]3[C@@H]3C[C@H]5[C@@H]4[C@H]32)C1 2325794801 RSNFCEMGBOPZEN-PGDHADIBSA-N 343.511 2.632 0 50 EFAA CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1ccc2nn[nH]c2c1 2325798176 SRSUXJYAWZYCMX-ADLMAVQZSA-N 342.374 2.532 0 50 EFAA C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C1CCCC1 863983124 BJCVICQZEHEEKL-VNQPRFMTSA-N 326.481 2.773 0 50 EFAA CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccccc3)cnc12 478656 SURAANZTKGOQJC-UHFFFAOYSA-N 328.393 2.991 0 50 EFAA COC(=O)[C@H](CC(=O)c1ccc(Br)cc1)n1ccnc1 619613 BTMYXVPFARUFGD-LBPRGKRZSA-N 337.173 2.633 0 50 EFAA Cc1ccc(Br)cc1S(=O)(=O)NCc1ccco1 1518032 LKYGRNMAMUFPRW-UHFFFAOYSA-N 330.203 2.829 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(Cc3cccc4ncnn34)C2)c1 2356148019 CRMDNEIHBOVBBE-CQSZACIVSA-N 338.411 2.736 0 50 EFAA O=C1O[C@@H](C(=O)NCCc2c[nH]c3ccccc23)Cc2ccccc21 2709912 JZXAOSOTXYMPRW-GOSISDBHSA-N 334.375 2.608 0 50 EFAA Cc1cc(C)c(NC(=O)[C@@H]2CCCO2)c(C)c1NC(=O)[C@@H]1CCCO1 4512087 NMYOYKSPQACELR-GJZGRUSLSA-N 346.427 2.847 0 50 EFAA COc1ccc(Cl)cc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 4999413 MZMCHMYQFCKISN-UHFFFAOYSA-N 345.790 2.584 0 50 EFAA COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC 6018691 DRRWBCNQOKKKOL-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA endogenous,in-man O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 6433432 LGAVLOBUZURIOJ-UHFFFAOYSA-N 334.372 2.519 0 50 EFAA COc1cc(OC)c(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC 6700514 DGSQGSVOSKYWCQ-UHFFFAOYSA-N 327.340 2.841 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c12 246920919 DFEIQBIKWFIHMH-HFBAOOFYSA-N 341.411 2.952 0 50 EFAA CCCn1ccnc1CN1CCC(Cc2nnc(SC)n2C)CC1 55168813 CVLDKERWZBFWPG-UHFFFAOYSA-N 348.520 2.598 0 50 EFAA CCn1cc(Cl)c(C(=O)NCCc2ccc(OC)c(OC)c2)n1 1432210 BFTSXCWCSDFMBP-UHFFFAOYSA-N 337.807 2.546 0 50 EFAA CCOC(=O)Cc1c(C)[nH]c2c(C)c(-c3ccc(C)cc3)nn2c1=O 103713566 XKJUZIOHOVYZJY-UHFFFAOYSA-N 339.395 2.720 0 50 EFAA CNc1ccccc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 55154279 XNSBQGPOLRZBJJ-MRXNPFEDSA-N 325.412 2.945 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCC1=CSC2=NCCCN12 101958888 KRMALUFDOQFNHT-ZDUSSCGKSA-N 347.488 2.724 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CCN1CCCO[C@H](C)C1 170768905 HPIZWJNHTFLOSJ-GFCCVEGCSA-N 326.824 2.788 0 50 EFAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1F 118218922 UIUXMWIDPKUNTK-KRWDZBQOSA-N 339.374 2.567 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2=O)c1 11838260 XYZPVXNVOLZHFG-OAQYLSRUSA-N 342.483 2.989 0 50 EFAA CC[C@@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(OC)c2)CC1 67473049 LYFAVUWTQYWVEG-QGZVFWFLSA-N 343.427 2.562 0 50 EFAA CC[C@H](NC(=O)CC(=O)Nc1cc(C)cc(C)c1)c1ccnn1C 65532282 DLLVKPDHEIKZGH-HNNXBMFYSA-N 328.416 2.633 0 50 EFAA Cc1nc2ccccn2c1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67772167 XTCMCDLZXUQYQU-UHFFFAOYSA-N 335.411 2.886 0 50 EFAA O=C(COCc1nc2ccccc2s1)N[C@@H]1CCN2CCCC[C@@H]12 229385372 ILMMGKJRTOXNNA-HIFRSBDPSA-N 345.468 2.556 0 50 EFAA CCNC(=O)c1cccc(CNC(=O)N(C)c2ccc(F)cc2)c1 252569089 VYQDOAAVQXGKHK-UHFFFAOYSA-N 329.375 2.921 0 50 EFAA CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)N1CCSCC1 151697072 OCOFRBVFNYGFKY-AWEZNQCLSA-N 349.500 2.544 0 50 EFAA O=C1[C@@H](N2CCC[C@@H](c3ccn[nH]3)C2)CCN1c1ccccc1F 229660793 YXQMMDOJPJXXFA-DYVFJYSZSA-N 328.391 2.534 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3noc(C4CC4)n3)C[C@H]21 230109473 PXBXYHQNLPPWGK-BFHYXJOUSA-N 348.447 2.682 0 50 EFAA CC[C@@H](Nc1ncnc2sc3c(c12)CCNC3)c1ccnn1C 65427064 PBEBLQFORKWAON-LLVKDONJSA-N 328.445 2.634 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccccc2)n1 326666705 HMYSJKXMLIORND-KRWDZBQOSA-N 333.347 2.528 0 50 EFAA C[C@@H](c1ccccn1)N1CCN(CCCO[C@@H]2CCCCO2)CC1 253392755 UZCQCFUJKQZDJS-PKOBYXMFSA-N 333.476 2.694 0 50 EFAA O=C(Nc1ncn(C2CCCCC2)n1)N[C@H]1c2ccccc2C[C@@H]1O 126129370 KYFYFYHBYTYTBW-HOTGVXAUSA-N 341.415 2.563 0 50 EFAA Cc1c(C(=O)N(C)[C@@H](C)c2ccccn2)cnn1CC1CCOCC1 253432690 MRIZBMZDEUPGCC-HNNXBMFYSA-N 342.443 2.846 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)o1 328609153 CJFYLZRYAWPYKS-CQSZACIVSA-N 327.340 2.646 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2cccn2C)[C@@H]1c1cnn(C)c1 328627277 FZVDHYHERXEEMA-QFBILLFUSA-N 329.492 2.664 0 50 EFAA COCCN1CCN(C(=O)c2cccc(-c3ccc(C)o3)c2)CC1 216542257 QMKHVKNJJWRREK-UHFFFAOYSA-N 328.412 2.659 0 50 EFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)CO[C@@H]3CCCC[C@H]3C)C2)n1 257365459 XLAYHTNVGCFRGX-KBRIMQKVSA-N 334.464 2.654 0 50 EFAA CCOc1ccccc1C1=CCN(C(=O)[C@@H]2CCCN2C(=N)O)CC1 329945417 FVOXESIHHXAGTF-INIZCTEOSA-N 343.427 2.658 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 363478087 GLPCFLJTMKTLKO-JKSUJKDBSA-N 341.411 2.868 0 50 EFAA Cc1ccccc1[C@@H](C(=O)NCCn1nc(C)c(C)c1C)N(C)C 219943339 DUAIGGHHMAXKLD-SFHVURJKSA-N 328.460 2.536 0 50 EFAA CCc1nc([C@@H]2CCCN2C(=O)Cc2cc(F)ccc2OC)no1 364368823 JYUDPVRDGLVTOI-ZDUSSCGKSA-N 333.363 2.686 0 50 EFAA O=C(Nc1cncc(Br)c1)N[C@@H](CO)c1ccccc1 126406320 FVUNHRBAVHUFHX-ZDUSSCGKSA-N 336.189 2.699 0 50 EFAA CN(C)C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72158383 IXEIYQDUVZFSEO-BRWVUGGUSA-N 335.398 2.508 0 50 EFAA CCN1CC2(CCN(C(=O)CCCOc3ccccc3)CC2)CC1=O 72473300 DKHCJDIPAZHBCF-UHFFFAOYSA-N 344.455 2.707 0 50 EFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)OC(C)C)CC1 77426017 ZMBCLFGTTAYVAT-UHFFFAOYSA-N 349.479 2.618 0 50 EFAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccccc21 372893288 VNKWGCYGARGYGP-MRXNPFEDSA-N 338.363 2.613 0 50 EFAA c1cc2c(cc1-c1nn3c(CN4CCCCC4)nnc3s1)OCO2 39389267 HSDLULXTGDUTRS-UHFFFAOYSA-N 343.412 2.567 0 50 EFAA CCCC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1 219917019 JKSMQLWAANTDIQ-INIZCTEOSA-N 336.395 2.979 0 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2.569 0 50 EFAA CN1C(=O)CC[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)[C@@H]1c1ccccc1 177849200 JIAUIAGKHJXADV-KDOFPFPSSA-N 349.394 2.506 0 50 EFAA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(C)n1C 223954717 DSDJHMQCRUUDSG-MOPGFXCFSA-N 342.439 2.746 0 50 EFAA NC(=O)c1sccc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 426388350 CHNDTPBEGZNTFI-HDJSIYSDSA-N 344.436 2.547 0 50 EFAA COc1ccc(NC(=O)N2CCCNC(=O)[C@H]2CC(C)C)c(C)c1 292912829 KXXGWXROCQOTLU-MRXNPFEDSA-N 333.432 2.772 0 50 EFAA Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@@H]2CCOC2)n1 426641587 UDOLDMCXEJKGSB-GOSISDBHSA-N 349.438 3.146 0 50 EFAA Cc1ccccc1-c1noc(CCCC(=O)NCc2ccno2)n1 426531022 UJSWFCOJPJIQGL-UHFFFAOYSA-N 326.356 2.672 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ncc[nH]2)cc1 426668404 QMECOTCQEWCNAV-KRWDZBQOSA-N 341.459 2.908 0 50 EFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)n1 91664328 RQWYUQJUWVWAGN-LLVKDONJSA-N 340.383 2.601 0 50 EFAA CC(C)Cc1cc(CSc2nnc([C@@H]3CCCNC3)n2C)no1 426684533 RENXNKWMTYTGKW-GFCCVEGCSA-N 335.477 2.761 0 50 EFAA CSCCc1nc([C@@H](C)n2ccnc2C)n(C2CCN(C)CC2)n1 96139971 GXOWDVVXBQIOCZ-CYBMUJFWSA-N 348.520 2.565 0 50 EFAA O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@H]1C[C@H]2C=C[C@H]1C2 162905136 WRINPBFTOLIMOX-YDHLFZDLSA-N 339.395 2.815 0 50 EFAA CC1(C)C[C@H](NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C(C)(C)O1 181636455 JKXCTTGVATWUBQ-JTQLQIEISA-N 347.337 2.861 0 50 EFAA COc1ccc([C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]2C[C@@H](O)C2)cn1 253378348 CIKXFCNVIBAIPM-WDYCEAGBSA-N 340.423 2.949 0 50 EFAA CC(C)CN1CCN(Cc2cncn2C2CCCCC2)C[C@H]1CCO 252509476 YOMXKHWOOZQTQH-LJQANCHMSA-N 348.535 2.913 0 50 EFAA CSCC[C@H](CO)NC(=O)c1cnc2c(C(C)C)cccc2c1O 252570589 WWEVQTOVFGIPEX-GFCCVEGCSA-N 348.468 2.908 0 50 EFAA NC(=O)c1cccc(NC(=O)NC[C@H]2CCN(C3CCCCC3)C2)c1 299774746 IBIJXRYWOKMCDZ-CQSZACIVSA-N 344.459 2.562 0 50 EFAA COCCN1CCC[C@@H](CN(C)C(=O)Nc2ccc(C)c(OC)c2)C1 299758521 MGBSWZDCNIQFPZ-INIZCTEOSA-N 349.475 2.826 0 50 EFAA O=C(O)c1cccc(N2CCC3(CC2)OCCc2ccsc23)n1 570065838 WDUXEDLWVNPWHV-UHFFFAOYSA-N 330.409 2.910 0 50 EFAA C[C@H](NCc1c(-c2ccccc2)nc2ccccn12)c1nncn1C 494789041 XNTNALJNHJMMSP-AWEZNQCLSA-N 332.411 2.981 0 50 EFAA CCCCc1ccc(C(=O)N[C@@H](C(=O)NCCCOC)C(C)C)cc1 670417833 OQAAVIZBMGTQRQ-GOSISDBHSA-N 348.487 2.936 0 50 EFAA CC(C)(C(=O)N[C@H]1Cc2cnccc2NC1=O)c1ccccc1Cl 952993073 AYRRBYFLOHAXGB-HNNXBMFYSA-N 343.814 2.692 0 50 EFAA C=CC(=O)N1CC(C(=O)N2CCc3cc(C(C)(C)C)ccc3C2)C1 1875388813 RHFPPINFOKVCMU-UHFFFAOYSA-N 326.440 2.513 0 50 EFAA OCC12CN(Cc3csc(=Nc4ccccc4)[nH]3)CC(F)(C1)C2 1875311984 FEAAVMRGKXOXNM-UHFFFAOYSA-N 333.432 2.605 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 269283262 RFGCUGZXZQZTAE-OCCSQVGLSA-N 339.277 2.968 0 50 EFAA CC1(C)[C@@H](CN=c2[nH]c(-c3cccnc3)nc3ccccc23)C[C@H]1O 1875288024 KVLHOWRVAFQDGQ-RHSMWYFYSA-N 334.423 2.933 0 50 EFAA COc1cccc(CC(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)c1 952979451 NDPRSYUYNGFEAQ-LLVKDONJSA-N 325.368 2.806 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2-n2ccnc21)c1cnc(C2CC2)[nH]1 1331303036 VNXLLGCJSKUWFP-CQSZACIVSA-N 333.395 2.890 0 50 EFAA O=C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)[C@H]2CCCN12 888170914 VJXDCVZRFXEYQZ-HNNXBMFYSA-N 332.831 2.844 0 50 EFAA CCc1cc2c(NC[C@@H]3CCO[C@@H]3c3n[nH]c(C)n3)ncnc2s1 895303856 DXTCASNXWYMHQJ-GWCFXTLKSA-N 344.444 2.870 0 50 EFAA Cc1cc2nc(Cl)cc(N3C[C@@H](O)[C@H](Cc4ccccc4)C3)n2n1 897338834 YQHRIZAQWKMUOD-HUUCEWRRSA-N 342.830 2.731 0 50 EFAA COCC1(O)CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 270374382 NRAWDLUHHTUIAI-QGZVFWFLSA-N 346.471 2.982 0 50 EFAA COc1ccccc1[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1C(=O)O 1565509577 GCOSAFBQXJFOJC-CVEARBPZSA-N 330.384 2.600 0 50 EFAA CCSc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c(=O)c2C1 185970664 YXNOXUNUAREWQH-UHFFFAOYSA-N 349.843 2.734 0 50 EFAA CCc1cc(O)nc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 275907568 IZQMKYLTNZNMPL-OAHLLOKOSA-N 327.432 2.684 0 50 EFAA CCN(C)C(=O)CCN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280360140 IUHNZSNMXKEYJJ-WFASDCNBSA-N 344.377 2.682 0 50 EFAA CN1C[C@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)CC1=O 171328259 IVLCVJNWKCSSCB-CQSZACIVSA-N 348.406 2.657 0 50 EFAA O=C(c1cc2ccccc2c(=O)o1)N1CCCCC[C@H]1c1ncon1 280655545 DYYOXBNWIMJYPA-AWEZNQCLSA-N 339.351 2.934 0 50 EFAA C[C@H](c1cccnc1)N1CCN(C(=O)c2c(F)ccc(O)c2F)CC1 280736178 JASIGXKDVSYCHA-GFCCVEGCSA-N 347.365 2.584 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCCN1C1CCOCC1 280742820 SFYQUIFWTJEVFJ-KSZLIROESA-N 348.874 2.956 0 50 EFAA C[S@](=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCC1 280868507 ZTEVWEGLABZWOY-DEOSSOPVSA-N 348.512 2.952 0 50 EFAA CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1 280967222 SRXCUHWQHJOMII-YJBOKZPZSA-N 346.471 2.906 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 190525202 NJUZWMYFUJBQOR-QWHCGFSZSA-N 339.382 2.590 0 50 EFAA Cc1ccc2ncccc2c1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646036775 SKSKFSXHLOHPQW-CYBMUJFWSA-N 348.424 2.561 0 50 EFAA Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653328341 HWWZXTCDRKMXHD-KBPBESRZSA-N 327.384 2.885 0 50 EFAA O=C(Nc1nnc(Cc2ccccc2)s1)N[C@@H]1CCO[C@H]1C1CC1 677669761 HCVXTISPBIKDJU-HIFRSBDPSA-N 344.440 2.818 0 50 EFAA COc1ccc(COCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 684991906 NUZXHAKUOOOEFG-GUDVDZBRSA-N 347.455 2.754 0 50 EFAA Cc1ncc(C(=O)Nc2cnn3c2NCCC3)c(-c2ccccc2)n1 1529181938 RLKQPHDZDQIXNU-UHFFFAOYSA-N 334.383 2.716 0 50 EFAA CCN(CC1CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529174727 XIVGKRAVNMHBHE-MOPGFXCFSA-N 344.455 2.672 0 50 EFAA CCn1c(N(C)CC[C@H]2CCCCO2)nc2cc(C(=O)O)cnc21 1529182642 XMTDSEYHUPCODT-CYBMUJFWSA-N 332.404 2.545 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@@H]21 1704298463 KDFFRXHKEOSWAN-WSTZPKSXSA-N 330.472 2.518 0 50 EFAA COc1ccc(/C=C/CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1 1800414963 ZAYZMGNIHUWUBH-YATRRXNKSA-N 331.412 2.522 0 50 EFAA COCC(C)=CCn1c(-c2cccc(Br)c2)noc1=O 1857530640 LXTGSSPBNYETRR-UHFFFAOYSA-N 339.189 2.859 0 50 EFAA CCCOc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 13745166 HZWBWYMGIJVJJA-UHFFFAOYSA-N 325.412 2.833 0 50 EFAA CC(C)CN1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14731767 KVMRJLHLXMWKDQ-UHFFFAOYSA-N 329.444 2.571 0 50 EFAA Cc1nonc1CN(C)c1nccc(-c2cnn(-c3ccccc3)c2)n1 19885495 SOBXTUWWIWOOGH-UHFFFAOYSA-N 347.382 2.657 0 50 EFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3cnc[nH]3)C1)CC2 1857712819 ULVYKDPTYSMZJC-LJQANCHMSA-N 341.459 2.683 0 50 EFAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2CCCn1cccn1 1857671262 CEWPISZHIBXIIW-ZCNNSNEGSA-N 325.456 2.731 0 50 EFAA COc1cnc(C)cc1C(=O)NCCN1CCCc2ccccc21 1857670045 MVWPOSPUETVGJV-UHFFFAOYSA-N 325.412 2.581 0 50 EFAA CCOCc1cc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)ccc1OC 1857673276 MVNPZLFQGZTPNU-CQSZACIVSA-N 343.427 2.574 0 50 EFAA Fc1ccc(N2CCCN([C@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857673938 UGAWROQSJBJGLB-IBGZPJMESA-N 347.478 2.639 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cc1cn(C)c2ccccc12 1857695305 DEZQNHDAWUOKGP-JNAXZKDPSA-N 340.423 2.965 0 50 EFAA CCCOc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)cc1 1857720993 UMBFXFDKYAFBJH-LNLFQRSKSA-N 346.471 2.703 0 50 EFAA CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc(C(N)=O)cc3)no2)s1 328593836 PZNYJPXCIBIJFW-SECBINFHSA-N 344.396 2.975 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cccc2cnccc12 328949457 HGAIQHNGRBXBNN-KRWDZBQOSA-N 336.395 2.788 0 50 EFAA CCn1ccnc(N2CCc3c(Br)cc(C)cc3C2)c1=O 241961280 UQYZYPWNFRZYCZ-UHFFFAOYSA-N 348.244 2.897 0 50 EFAA O=C(c1cnn2ccccc12)N(Cc1ccncc1)Cc1cccnc1 342443671 VGCQDXJHFZTACG-UHFFFAOYSA-N 343.390 2.967 0 50 EFAA CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCc1cccs1 349803722 GCWCEZLXHWVNQI-UHFFFAOYSA-N 343.857 2.778 0 50 EFAA Cn1c(O)nc2ccc(C(=O)NCC3(C)Cc4ccccc4C3)cc21 678309115 XXZNUKCJXYRCNA-UHFFFAOYSA-N 335.407 2.814 0 50 EFAA O=C(NCc1cscn1)C1CCC(NC(=O)C2CCCC2)CC1 155327649 XPWXKVBIGQCIPM-UHFFFAOYSA-N 335.473 2.625 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 261891301 NVNSETGGRMJDIZ-CYBMUJFWSA-N 333.384 2.565 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 262875694 DQFVIDHYSDKDKK-WMZOPIPTSA-N 344.455 2.504 0 50 EFAA CC[C@@H](C(=O)O)C(=O)Nc1cccc(Br)c1COC 909405249 URFMJWGEEAEXMM-MRVPVSSYSA-N 330.178 2.645 0 50 EFAA CN(C)Cc1csc(CNC(=O)Nc2cnc3c(c2)CCCC3)n1 930769556 XQWOACYZMVZSKQ-UHFFFAOYSA-N 345.472 2.800 0 50 EFAA O=C(NCCc1nc2c(s1)CCC2)c1ccc(-c2cn[nH]c2)cc1 1263943654 YSISFKVXYFNCPJ-UHFFFAOYSA-N 338.436 2.994 0 50 EFAA COC(=O)c1ccccc1NC(=O)c1nc(SC)ncc1Cl 6669814 FRBWUZUTRHUOKS-UHFFFAOYSA-N 337.788 2.891 0 50 EFAA C[C@H](NCCn1cnc2ccccc2c1=O)c1ccnc(Cl)c1 2325742665 XDHDCGLQSLHKJT-LBPRGKRZSA-N 328.803 2.796 0 50 EFAA c1nc(NCC2CC2)cc(N2CCC3(CCC4(CC3)OCCO4)C2)n1 2325789526 VYRYEPZQAFRQJC-UHFFFAOYSA-N 344.459 2.812 0 50 EFAA COc1cc2c(O)nccc2cc1-c1ccnc(N2CCOCC2)c1 2325791842 BOKAHEMVTKELST-UHFFFAOYSA-N 337.379 2.848 0 50 EFAA CC(C)CC1=NN(C(=O)COc2ccccc2)[C@@](O)(C(F)(F)F)C1 305765 VHTISJNQXFZBLM-HNNXBMFYSA-N 344.333 2.951 0 50 EFAA CC1=NN(C(=O)COc2c(C)cc(C)cc2C)[C@](O)(C(F)(F)F)C1 356138 VZLUOHZGBUHDMX-OAHLLOKOSA-N 344.333 2.850 0 50 EFAA Cc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 450381 SLHSHATTWNFNSU-UHFFFAOYSA-N 336.388 2.539 0 50 EFAA O=C(COc1ccccc1Cl)NCCc1nc2ccccc2[nH]1 2592566 YPRUYVFDUSSJDN-UHFFFAOYSA-N 329.787 2.954 0 50 EFAA CCCCc1nc(CN2CCC[C@]23CCCN(C)C3=O)c(Cl)[nH]1 2356148694 NOCINFKMXGLSJV-KRWDZBQOSA-N 338.883 2.993 0 50 EFAA COc1ccc(CCNC(=O)c2cc(CC(C)C)on2)cc1OC 3909073 AQTUVAMDOXMPGB-UHFFFAOYSA-N 332.400 2.863 0 50 EFAA Cc1cc(O)c2c(C)c(CC(=O)NCc3ccccc3)c(=O)oc2c1 4089210 NDRDMTTVJFNYLS-UHFFFAOYSA-N 337.375 2.974 0 50 EFAA biogenic COc1ccc(C(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 4986579 WHNBTIZFIJSIHE-UHFFFAOYSA-N 326.377 2.863 0 50 EFAA CCCN1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 8157517 GHNJFVYBRYPOJJ-UHFFFAOYSA-N 328.815 2.849 0 50 EFAA O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(F)cc1 8844234 QBKVMIMUHOMMJQ-UHFFFAOYSA-N 333.388 2.519 0 50 EFAA CCNc1ccnc(N2CCc3[nH]nc(CC4CCCC4)c3C2)n1 23541433 AGSPZNJFCPSQKZ-UHFFFAOYSA-N 326.448 2.927 0 50 EFAA CN(c1cccnn1)C1CCN(c2nc3cc(F)ccc3o2)CC1 114449591 ZTJMBIQRTNJJAB-UHFFFAOYSA-N 327.363 2.862 0 50 EFAA O=C(CN1CCCC1=O)NCc1cccc(OCc2ccccc2)c1 53573588 CGSVHUAEACRHHQ-UHFFFAOYSA-N 338.407 2.504 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)c2oc3c(C)cccc3c2C)N(C)C1 344505401 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C[C@@H]1Oc2c(cccc2C(=O)NCCO[C@H]2CCCC[C@H]2C)NC1=O 229891993 NKTBUWROMOVSEY-WWGRRREGSA-N 346.427 2.731 0 50 EFAA CNc1cc(C(=O)N(C[C@@H]2COc3ccccc3O2)C(C)C)ccn1 65393695 NGYURIBYJGCASJ-OAHLLOKOSA-N 341.411 2.814 0 50 EFAA COCc1nc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cs1 148406367 RKPGHMWFTCYVBH-UHFFFAOYSA-N 346.387 2.544 0 50 EFAA Cn1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c2cc(F)ccc21 1430327 OSJNTIKTWWZWEU-MRXNPFEDSA-N 334.358 2.763 0 50 EFAA CC(C)[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C)c1ccc(Cl)cc1 282347244 MPUOVSWTMLRURR-CQDKDKBSSA-N 337.851 2.861 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)o1 215963629 PJADUONHNZJVCB-MRXNPFEDSA-N 326.396 2.971 0 50 EFAA CCC(CC)CN1CC2(CCN(C(=O)CSC)CC2)OC1=O 77358025 FYGRTYSDYVAZRG-UHFFFAOYSA-N 328.478 2.599 0 50 EFAA CC[C@@H](CNC(=O)c1cc2cccc(Cl)c2n1C)N1CCOCC1 215685960 WMGJGAYUJUPTKN-AWEZNQCLSA-N 349.862 2.672 0 50 EFAA Cc1ccc(CN2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)o1 328629273 IBXNWSYCOHKWTP-MRXNPFEDSA-N 340.489 2.757 0 50 EFAA CCn1nccc1CN[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328630480 PXXNRVKIAVCFMX-OAHLLOKOSA-N 333.436 2.667 0 50 EFAA COc1ccc([C@@H](OC)[C@@H](C)Nc2ncnc3nc(N)ccc23)cc1 357275534 SCGGGNIYXUTTMK-BZNIZROVSA-N 339.399 2.804 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)s1 328645119 RZBBVQQXPXHFPI-LBPRGKRZSA-N 345.472 2.790 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@@H](CO)C2)sc1-c1ccccc1 77342522 LNMORGRELHMWLP-CQSZACIVSA-N 331.437 2.804 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1c[nH]nc1C1CCCCC1 77424477 XOMVNAKVWWRZGS-MRXNPFEDSA-N 346.475 2.930 0 50 EFAA O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@@H]1c1ccco1 123618751 BVBGNCJMIRRYRW-GJZGRUSLSA-N 331.343 2.748 0 50 EFAA CCCn1cc(CNC(=O)c2cccc(CC3CCNCC3)c2)cn1 72127403 XVSULUOWAMVUOM-UHFFFAOYSA-N 340.471 2.765 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 155687923 DWRRILCLZKREPN-SFHVURJKSA-N 333.432 2.796 0 50 EFAA O=S(=O)(CC12CCC(CC1)C2)NCc1ccccc1-n1ccnc1 329728128 HCTBCKAQGXZFOU-UHFFFAOYSA-N 345.468 2.872 0 50 EFAA Cc1cccc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)c1C 332143178 NVAMPFVHMSUZEV-UHFFFAOYSA-N 326.444 2.653 0 50 EFAA O=S(=O)(C[C@H]1CCCCC1(F)F)N1CCC[C@H](CCO)CC1 332340377 SOCXVJVKFYSRBX-UONOGXRCSA-N 339.448 2.626 0 50 EFAA Cn1c([C@@H](NC(=O)c2csnn2)c2ccccc2)nc2ccccc21 126789248 GAETXHLXPQIETO-INIZCTEOSA-N 349.419 2.944 0 50 EFAA CO[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1 173664918 JUPRVKUTPRRFBN-KRWDZBQOSA-N 346.406 2.826 0 50 EFAA CCOCc1nc2c(c(NCc3ccccc3C)n1)CCNCC2 72420214 BIYIVSWNSIOPAJ-UHFFFAOYSA-N 326.444 2.622 0 50 EFAA Cc1cc(C)n(-c2cncc(N3CC[C@H](O)c4ccccc4C3)n2)n1 369283200 MSGQDVOGLZHAJL-KRWDZBQOSA-N 335.411 2.723 0 50 EFAA Cc1ccccc1C1CC(N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)C1 284542454 HFYKMEYDZAEPIU-RLFPARDHSA-N 338.455 2.584 0 50 EFAA O=S(=O)(c1sccc1F)N1CCOC[C@H]1c1ccccc1 338925830 MRCZBNIKGALWLM-ZDUSSCGKSA-N 327.402 2.649 0 50 EFAA CN1CCN(c2ncc(Cl)cc2F)C[C@@H]1c1nc(C2CC2)no1 284636114 UKFNQMFBIOOKHP-GFCCVEGCSA-N 337.786 2.628 0 50 EFAA Cc1noc(C)c1CCN1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 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0 50 EFAA COCC1=CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 185898677 MRQQWDUZXXFIBF-MRXNPFEDSA-N 338.810 2.863 0 50 EFAA C[C@@H](NC(=O)CNc1cccc2c1OCC[C@@H]2O)c1cccs1 390832875 JIAJWHGTHUUKIC-RISCZKNCSA-N 332.425 2.853 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCOc3cc(OC)ccc3C2)c1 634691345 FQOSZQMNAZAZRF-GOSISDBHSA-N 343.379 2.724 0 50 EFAA C[C@H]1Oc2ccc(NC(=O)c3coc(CC4CC4)n3)cc2NC1=O 170597750 VJBURTZVVAGICP-SECBINFHSA-N 327.340 2.599 0 50 EFAA CO[C@H]1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)CC[C@@H]1C 187718093 WTHRONLSFWDHHI-KSSFIOAISA-N 342.443 2.747 0 50 EFAA O=C(CSC[C@@H]1CCCCO1)Nc1cc(-c2ccncc2)n[nH]1 171194022 MMOVTMVJZUUYHM-ZDUSSCGKSA-N 332.429 2.713 0 50 EFAA CC(=O)N1CC(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)C1 187845086 JNFUITLWVALWCG-UHFFFAOYSA-N 337.590 2.769 0 50 EFAA CC[C@@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1 189250007 MVSRQJDZDXWIPZ-SJORKVTESA-N 343.431 2.532 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 663051242 CESWOIMIJHIXPU-XLIONFOSSA-N 339.391 2.947 0 50 EFAA COCC1(C2CCC2)CN(C(=O)N[C@@H](C)c2ccncc2OC)C1 664726733 UYIHWGYVQZLRBK-ZDUSSCGKSA-N 333.432 2.609 0 50 EFAA Cc1cc(-c2noc(COC(=O)c3ccc(O)cc3O)n2)ccc1F 767256844 IHSFTXNQSFBYNM-UHFFFAOYSA-N 344.298 2.952 0 50 EFAA O=C1CC[C@H](NCc2ccc3c(c2)OCCCO3)CCN1CC1CC1 1506419532 FDFHNCNJKOIUGX-KRWDZBQOSA-N 344.455 2.729 0 50 EFAA CCc1cccc(OCCCN(C)c2ncccc2C(=O)NC)c1 1529105849 ISVUOUCKSFRGMK-UHFFFAOYSA-N 327.428 2.909 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529105522 DZIWIQKZEQRXHJ-CABCVRRESA-N 345.468 2.957 0 50 EFAA Cc1cc(Cl)cc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704309318 QWLIRMUUHNRNKE-UHFFFAOYSA-N 334.851 2.884 0 50 EFAA CCN(Cc1ccccc1)C1CCN(c2nnc(CN(C)C)o2)CC1 1772710242 PHGCEJFVBHEJRB-UHFFFAOYSA-N 343.475 2.622 0 50 EFAA O=C(c1cc(C2CC2)no1)N1CCCN(c2ccc(Cl)cn2)CC1 1772805175 HJRUAHSAEWXRQD-UHFFFAOYSA-N 346.818 2.953 0 50 EFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCC[C@@H](C2(O)CC2)C1 1772812761 QDXCSWCBEHLQAD-LLVKDONJSA-N 346.814 2.559 0 50 EFAA CSCCC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 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QOJSRPXWMNZYAM-OAHLLOKOSA-N 331.803 2.992 0 50 EFAA O=C(c1ncoc1C(F)(F)F)N1CCCN(C2CCCC2)CC1 646837970 FDLVXTYTTXMIDU-UHFFFAOYSA-N 331.338 2.784 0 50 EFAA CSc1ccccc1S(=O)(=O)N1CCC[C@H]2CNCCC[C@H]21 375990315 XLXKWOBZDJPAJW-UONOGXRCSA-N 340.514 2.561 0 50 EFAA O=C(O)c1ccc(CCNC(=O)c2ccnn2C2CCCC2)cc1 263231481 CEAQLMHGLWIBMO-UHFFFAOYSA-N 327.384 2.669 0 50 EFAA Cc1cn2c(=O)cc(CN[C@H](c3cccnc3)C3CC3)nc2s1 1262254588 SLFDOFIORKZSOP-INIZCTEOSA-N 326.425 2.700 0 50 EFAA O[C@@H](CN[C@@H]1CCCC[C@H]1O)c1ccc(F)c(Br)c1 843073681 SXRYNVLRJNOZIM-MCIONIFRSA-N 332.213 2.515 0 50 EFAA CC[C@@H](CSCC(=O)NCC(=O)NC(C)(C)C)CC(F)(F)F 2325772587 AZEVXGOZQGJBNA-SNVBAGLBSA-N 342.427 2.729 0 50 EFAA O=C(NC[C@H]1NCCc2sccc21)c1ccnc2ccsc12 2325810453 LNVHKGMSYHVDQL-CYBMUJFWSA-N 329.450 2.975 0 50 EFAA CN(Cc1cccc(C(F)(F)F)n1)C(=O)c1cc(F)cnc1O 2325841397 SAWRIBBAVDDEKL-UHFFFAOYSA-N 329.253 2.612 0 50 EFAA Cn1ncc2c(N3C[C@H](O)C[C@@H]3c3ccc(F)c(F)c3)ccnc21 343247219 VQLUMONGDUZJDY-BDJLRTHQSA-N 330.338 2.559 0 50 EFAA COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 379518 YKSNPBQKRZMODK-UHFFFAOYSA-N 347.436 2.980 0 50 EFAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)cc1 379823 IDZALYUCOGJRJL-UHFFFAOYSA-N 344.864 2.555 0 50 EFAA COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 440192 DIQHGHKWXYWVJC-UHFFFAOYSA-N 339.800 2.708 0 50 EFAA COc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 556328 UTEFTXDPDDNWJD-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA CSc1cccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)c1 2356141809 QNQJXXPYTBKTSS-CYBMUJFWSA-N 326.425 2.689 0 50 EFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(C2CCCCC2)C1=O 4276405 QBPSYSBGRARKKS-AWEZNQCLSA-N 333.409 2.937 0 50 EFAA COc1cccc(C(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)c1OC 4745839 IRXTZZNSTJPMEF-MRXNPFEDSA-N 344.455 2.818 0 50 EFAA C[C@H]1C[C@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCN1 417192616 BWAKHACJSRIHQO-WCQYABFASA-N 345.365 2.567 0 50 EFAA O=C(NC1Cc2ccccc2C1)[C@@H]1[C@H]2CN(C/C=C/c3ccco3)C[C@H]21 102781766 OWOPGZKNKCMLRM-VBIRGSRCSA-N 348.446 2.754 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1c(Cl)nc2ccccn12 248146438 RXOZXRBSIGEPES-CHWSQXEVSA-N 332.835 2.687 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)C1 10302257 LYNYIUUEOLVJEF-GFCCVEGCSA-N 344.864 2.649 0 50 EFAA CCn1cnnc1CN(C)C(=O)c1c(-c2ccccc2)noc1C 20587166 FZOLLNHJWQYUOH-UHFFFAOYSA-N 325.372 2.534 0 50 EFAA COc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCOCC1 20310902 PVSFVABRZFNFFM-GOSISDBHSA-N 326.396 2.707 0 50 EFAA O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1 20523245 ZOLNTBNYYLHKCH-UHFFFAOYSA-N 327.403 2.582 0 50 EFAA CC1(C)CCN(C(=O)[C@H](F)CC2CCCCC2)CCS1(=O)=O 328588411 FYFHQDQBTPJLLK-CQSZACIVSA-N 333.469 2.721 0 50 EFAA C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cc(F)ccc1N1CCOCC1 252487471 YHJAZKQRACOOGB-CTNYNGJSSA-N 332.419 2.886 0 50 EFAA COc1ccccc1/C=C/CN1CCN(c2nc(C)ncc2C)CC1 65398818 GMAJUZSLOJPMNM-SOFGYWHQSA-N 338.455 2.937 0 50 EFAA CC1=NN(C(=O)CSCc2ccc(F)cc2)[C@](O)(C(F)F)C1 6394606 GHOBHIHAVAKFLH-CQSZACIVSA-N 332.347 2.621 0 50 EFAA O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1=COCCO1 173224461 ZSADODVYUJZOSZ-UHFFFAOYSA-N 337.788 2.609 0 50 EFAA COc1ccc(OC)c(NC(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 363406819 QDPLZCUPSDZBSS-CVEARBPZSA-N 333.432 2.794 0 50 EFAA O=C(NS(=O)(=O)c1cccs1)[C@@H]1CCCc2sccc21 155880052 FFPUEISFYKXPER-SNVBAGLBSA-N 327.452 2.735 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 262124885 KCRZAUXMSGHDPT-QGZVFWFLSA-N 343.354 2.667 0 50 EFAA CCCC1(CNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CCC1 157468275 YEHSKOKNMLJZQN-UHFFFAOYSA-N 345.468 2.922 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2nc3ncccn3n2)C1 71576126 ZEEKKKIYDXBTSN-MRXNPFEDSA-N 349.438 2.918 0 50 EFAA O=C1CC[C@H]2CN(c3cnccn3)CC[C@H]2N1CCc1ccccc1 72408054 HICOVLMLDWJKQK-ZWKOTPCHSA-N 336.439 2.537 0 50 EFAA CCc1cc(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)ncn1 72148791 AVKHEHAGJGSFSB-MRXNPFEDSA-N 340.427 2.891 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 374850930 CSHRLUUZGVCTFP-ZNFPLGDCSA-N 338.411 2.788 0 50 EFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2CC23CCOCC3)c1 158232427 FGBDIRSWQAIGHD-AWEZNQCLSA-N 344.440 2.620 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccccc1)c1csc([C@@H]2CCCO2)n1 262607956 AQMGBJCFQVCMMV-JSGCOSHPSA-N 346.408 2.593 0 50 EFAA Cc1nn(CC(=O)N2CC(Oc3ccccc3F)C2)c(C)c1Cl 218788124 IMMVNZJGPJQWCD-UHFFFAOYSA-N 337.782 2.582 0 50 EFAA O=C(Nc1cccc(N2CCCNC2=O)c1)c1cnc2cnccc2c1 336961289 BZVJNNGTSKRFGA-UHFFFAOYSA-N 347.378 2.802 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77565632 ATAXPOPCPHSPEN-INIZCTEOSA-N 347.422 2.976 0 50 EFAA COc1cc(OC)c(CN2CCC[C@H]2c2cnn(C)c2)c(OC)c1 131922335 AHNYCGIRYFVRJV-INIZCTEOSA-N 331.416 2.783 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccc(C)o1 175691103 ZUEGVLQNGQWSEY-CABCVRRESA-N 332.404 2.556 0 50 EFAA COCCC[C@H]1CCCCN1C(=O)c1ccccc1N1CCOCC1 221411103 YTZDLRVFVIRKHC-QGZVFWFLSA-N 346.471 2.945 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2scnc2c1 195090820 VTZBNRITSDQPTE-UHFFFAOYSA-N 336.376 2.645 0 50 EFAA CCOc1ccc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)o1 223876912 FFNJSEJXIRDONQ-KRWDZBQOSA-N 330.384 2.659 0 50 EFAA COc1ccc(C(=O)N2CCC3(CC2)COC(=O)O3)c2ccccc12 426358554 PCYNRPPFEPRKEI-UHFFFAOYSA-N 341.363 2.990 0 50 EFAA Cn1c(=O)cc(C(=O)N(Cc2nccs2)C2CC2)c2ccccc21 426690742 SZNGCWNVVHLDMQ-UHFFFAOYSA-N 339.420 2.800 0 50 EFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1 82087666 GELITRKMVSENPD-LBPRGKRZSA-N 344.798 2.923 0 50 EFAA Cc1ccc(C(=O)NCCC(=O)N(C)CC[C@H]2CCCCO2)cc1 221387241 CVTHSTWRCLBCDR-QGZVFWFLSA-N 332.444 2.533 0 50 EFAA CC[C@H](C)[C@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)O 223220642 LTFVFKGDIZPNRH-ZANVPECISA-N 333.306 2.743 0 50 EFAA CCNc1ncc(C(=O)NCc2cccc(OC(F)(F)F)c2)cn1 91876957 QBXMMSTYXWUDMP-UHFFFAOYSA-N 340.305 2.737 0 50 EFAA CS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 97636583 KWLCYKYDCCRKOB-UHFFFAOYSA-N 344.436 2.778 0 50 EFAA Cc1ccc([C@H](C(=O)N(C)CCn2nc(C)cc2C)N(C)C)cc1 95371009 MUNVPCXLZGEZMR-GOSISDBHSA-N 328.460 2.570 0 50 EFAA CC(C)=CCCN1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 95361280 HXWASYKWLXCGOC-QGZVFWFLSA-N 342.491 2.904 0 50 EFAA Cc1noc(C)c1[C@@H]1CCCN1Cc1cnc(N2CCOCC2)s1 97172861 GDUGGKTXGCABFW-HNNXBMFYSA-N 348.472 2.922 0 50 EFAA O=C1CCc2cc(F)cc(NC(=O)N[C@@H]3COC4(CCCC4)C3)c2N1 96139408 GKXBNEMFWIZPSP-ZDUSSCGKSA-N 347.390 2.934 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@H]1COc2c(cccc2OC)C1 91757215 QZFWLXNCYDEPSI-MRXNPFEDSA-N 326.396 2.690 0 50 EFAA COc1nccc(CN2CCC[C@H](Oc3ccccc3OC)C2)n1 296207458 ZNNMMZSJIQZVSN-HNNXBMFYSA-N 329.400 2.537 0 50 EFAA O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC2(CCC2)C1 163119589 JZDBVYJZDWNVCG-UHFFFAOYSA-N 347.358 2.996 0 50 EFAA Cc1cc(Br)oc1C(=O)NC[C@@H]1CSCCS1 267819449 WUEODBRHCNLBIU-MRVPVSSYSA-N 336.276 2.929 0 50 EFAA O[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 97334289 RBRWHOIBIRVSEA-VXKWHMMOSA-N 336.479 2.959 0 50 EFAA CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1nc(C)no1 91305438 JDTYCHNIKIMSBP-CYBMUJFWSA-N 328.372 2.759 0 50 EFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](O)CC(C)(C)C1 296830264 GJTFUKGEJGBEJY-MRXNPFEDSA-N 327.428 2.804 0 50 EFAA COc1cc(C(=O)N2CCN[C@@H](C)C2)cc(Cl)c1OC(C)C 299738933 IQBTUZFVULEWRJ-NSHDSACASA-N 326.824 2.570 0 50 EFAA O=C(Nc1nc2ccc(F)cc2[nH]1)c1cnc(OCC2CC2)cn1 253416496 HBGWJXVNHMPCMX-UHFFFAOYSA-N 327.319 2.533 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCSCc1ccccc1 299797340 NKUWVXHADPUFCJ-IRXDYDNUSA-N 336.501 2.534 0 50 EFAA NCCOc1ccc(CC(=O)N2CCCC[C@H]2c2cccnc2)cc1 299796150 MLASZTCQSZFUCB-IBGZPJMESA-N 339.439 2.715 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)NC[C@H](CO)Cc1ccco1 299775076 JMZGAWRYLNVOBU-CQSZACIVSA-N 346.431 2.872 0 50 EFAA O=C(NCCCSCc1ccc(Cl)cc1)N[C@@H]1CCNC1 828038239 YOMZXOORKPOLSM-CQSZACIVSA-N 327.881 2.624 0 50 EFAA O=C(CCc1cscn1)NCc1cncc(Br)c1 1875295296 DVGQPUOOOABOTP-UHFFFAOYSA-N 326.219 2.550 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccoc1 1875299215 DDARKYNMCFGQLZ-NSHDSACASA-N 334.397 2.594 0 50 EFAA C[C@H](NC(=O)[C@]12CCC[C@@H]1CC(=O)CC2)c1ccc(N(C)C)nc1 1875330553 SNFSCTBZLKGXHF-OHNRDTAOSA-N 329.444 2.864 0 50 EFAA COC(=O)/C=C/CCNC(=O)c1cc(-c2csc(C)n2)c(C)o1 1875314198 METCBZPLPCIVDJ-GQCTYLIASA-N 334.397 2.869 0 50 EFAA CC[C@@H](O)Cn1cnc2c(NCc3ccc(Cl)cc3)ncnc21 1875342386 OZXCWLULYLWSQW-CYBMUJFWSA-N 331.807 2.863 0 50 EFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCc1ccncc1)(C3)C2 952982025 ZEKXKIPZFQYUJB-GSEOLPGOSA-N 328.456 2.852 0 50 EFAA O=C(CC[C@@H]1C(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2 888105532 MMJMHNLQYQXAKH-AWEZNQCLSA-N 338.363 2.548 0 50 EFAA CCCc1cc(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)n[nH]1 952964530 ANYWADJWQVNGDD-UHFFFAOYSA-N 339.399 2.691 0 50 EFAA Nc1ccc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2F)nn1 888078708 NVNUGXISLKQOCF-OAHLLOKOSA-N 332.354 2.633 0 50 EFAA Cc1ccccc1NCCC(=O)N1CCOC[C@H]1CC1CCOCC1 890799062 QRBZNBVPRJYRRW-GOSISDBHSA-N 346.471 2.841 0 50 EFAA CCCCCOc1ccc(C(=O)N2CCO[C@@H](c3nc[nH]n3)C2)cc1 1775998667 HOFLTNKVYRQWJO-MRXNPFEDSA-N 344.415 2.587 0 50 EFAA COCCC1(CNS(=O)(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC1 1775989446 AVJUBEONTRWMQX-SJORKVTESA-N 337.485 2.601 0 50 EFAA CC(C)n1cc(NC(=O)N2CCC[C@@]2(CO)c2ccccc2)cn1 1773307048 CDHDWJNCHMOTPU-GOSISDBHSA-N 328.416 2.980 0 50 EFAA Brc1cnc([C@H]2CCCN2c2ncnc3[nH]ccc23)nc1 895716973 LDMLVCZUPOGLNS-LLVKDONJSA-N 345.204 2.852 0 50 EFAA Cc1cc(O)nc(N2CCC[C@@H](NC(=O)O[C@H](C)CC(C)C)C2)n1 1364959681 HHHCQLZORRTFAZ-ZIAGYGMSSA-N 336.436 2.620 0 50 EFAA CS(=O)(=O)c1cc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)cs1 1365053026 GRRYNDAYIZKWTJ-JSGCOSHPSA-N 339.482 2.802 0 50 EFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 75949647 SUUFDEAHISMOER-MSOLQXFVSA-N 330.472 2.699 0 50 EFAA NC(=O)c1csc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 275595435 PZHHONWQXFJFIK-OAHLLOKOSA-N 330.457 2.786 0 50 EFAA CC[C@@H](Cc1ccc(C)cc1)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275530502 LVNQUZOGWGTGSU-NSHGMRRFSA-N 340.471 2.659 0 50 EFAA Cc1nc(N2CCCN(C(=O)C3CC3)CC2)ccc1Br 275876809 WCSJWIZFPVSBRT-UHFFFAOYSA-N 338.249 2.601 0 50 EFAA Cc1c[nH]cc1C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F 408519955 ZAQBWPKTANZMPZ-NSHDSACASA-N 331.363 2.601 0 50 EFAA CN(c1ccccc1)S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223331054 CPPHNNDTUFDBMJ-UHFFFAOYSA-N 338.772 2.600 0 50 EFAA Cn1cc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2CO)cn1 277937674 ZEZFCPGSVGCFTC-GJZGRUSLSA-N 339.361 2.647 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1ccc(F)c(Br)c1 170045323 ZLLKSXDPJPZDNJ-UHFFFAOYSA-N 344.180 2.961 0 50 EFAA O=S(=O)(Cc1cccc(Cl)c1)Cc1nnc2n1CCCCC2 278758006 MUSKKTWOPJRNLZ-UHFFFAOYSA-N 339.848 2.773 0 50 EFAA CCn1ncc2ccc(NC(=O)N[C@@H](CO)Cc3ccccc3)cc21 170599648 UAJLVSYCFMKVCW-QGZVFWFLSA-N 338.411 2.781 0 50 EFAA CN(C)c1noc(CCNC(=O)C2(c3cccs3)CCCCC2)n1 170605984 OGOMZYNBTSNAKB-UHFFFAOYSA-N 348.472 2.758 0 50 EFAA CN(C)CCn1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)n1 170644151 WSNLIXJZNJURIT-YLJYHZDGSA-N 338.455 2.677 0 50 EFAA Cc1ccc(N2CCC[C@H](Nc3ncnc4onc(C)c34)C2=O)cc1 192467441 PLEZGEUESQRRSI-AWEZNQCLSA-N 337.383 2.842 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccc(C)cc1 193182133 ORYTWAOWLGAWFB-IAGOWNOFSA-N 329.444 2.899 0 50 EFAA O=C1CCCC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)cc2)N1 193732773 BBHVCTRIALAJRO-GFCCVEGCSA-N 330.306 2.625 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@H](OC4CCC4)C3)c(F)cc2N1 655279970 BJOCZXAXFCHEQM-AWEZNQCLSA-N 346.402 2.884 0 50 EFAA COCc1cc(OCc2nnn(C(C)(C)C)n2)c2cc(F)ccc2n1 655675941 KTQNXKKLQXZSLD-UHFFFAOYSA-N 345.378 2.841 0 50 EFAA Cc1nc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1[C@H](C)O 770448840 JLHTYDFWVFWAIZ-ZDUSSCGKSA-N 336.395 2.763 0 50 EFAA Cc1c(NC(=O)CN2CCCC[C@H]2CCc2ccccn2)cnn1C 1506404878 JKSPFTNUBSXTGM-KRWDZBQOSA-N 341.459 2.549 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N(C)CCN(C)C2CCCC2)c1 1506404924 JVVQRPJHBRXFQB-UHFFFAOYSA-N 331.460 2.656 0 50 EFAA COc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1OC 1529168183 XOZUVJDRSJVYPW-RTBURBONSA-N 343.423 2.638 0 50 EFAA COc1cc2c(cc1OC)C1(CCN(C(=O)NC(C)C)CC1)OCC2 1704343575 JJUQKQBIDSNAQJ-UHFFFAOYSA-N 348.443 2.686 0 50 EFAA Cc1cccc(N2CCN(C[C@@H]3CCC(=O)N(C(C)C)C3)CC2)c1 1775978683 UOQYCMYVQPZASC-SFHVURJKSA-N 329.488 2.764 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3cc(C)ccc3C)c2N)cc1 11690531 WQIZEYSGVIICRK-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 12138230 XWIVWYAOOYCLHN-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA COc1ccccc1-c1ccnc2nc(N3CCCCC3)[nH]c(=O)c12 13686071 QJNNYJAQHNYGAS-UHFFFAOYSA-N 336.395 2.984 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(-n2nncc2-c2ccccc2)cc1 16607373 RKWAMSYDBPOLQR-SFHVURJKSA-N 348.406 2.843 0 50 EFAA CN1CCN(CCCCOc2ccc(Br)cc2)CC1 19791201 KVFMJTVBRNAMBH-UHFFFAOYSA-N 327.266 2.856 0 50 EFAA Cc1ccc(C)c(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)c1 169751706 FJEDWLRVSJFIFG-INIZCTEOSA-N 327.428 2.913 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)NC[C@H]1CCO[C@@H]1c1cnn(C)c1 1857528973 JDHYTJPMCGFFRM-KDOFPFPSSA-N 340.427 2.509 0 50 EFAA Cc1nc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n(C)c1C 1857697208 KKMJJQMBQXVQER-ZVDOUQERSA-N 339.483 2.995 0 50 EFAA Cc1cccc(C)c1NC(=O)CN1CCN(CCCCCF)CC1 225465767 YKUMGKIOZKHCLH-UHFFFAOYSA-N 335.467 2.999 0 50 EFAA O=C(O)[C@H](Cc1cn(Cc2ccccc2)cn1)NCc1ccccc1 2571363 IUSLFTWXUDAXJI-IBGZPJMESA-N 335.407 2.717 0 50 EFAA in-vitro Cc1nc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)oc1-c1ccccc1 153563344 DNKCUGIXUVPOOQ-OKILXGFUSA-N 327.428 2.791 0 50 EFAA C[C@@H](NC(=O)C1(C(=O)O)CCCC1)c1nccn1-c1ccccc1 911746512 YOYNWOFMDMCBLV-CYBMUJFWSA-N 327.384 2.695 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](c3ncon3)C3CC3)cc2)n1 1262210435 WIQFGPATARZZLV-MRXNPFEDSA-N 337.383 2.753 0 50 EFAA Cc1csc(C(=O)Nc2nncn2C2CC2)c1Br 285919336 SUPRNYCHSSQJOR-UHFFFAOYSA-N 327.207 2.998 0 50 EFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(F)cc1 4502392 LQVALGJXRHOGIH-UHFFFAOYSA-N 334.734 2.843 0 50 EFAA C[C@@]1(O)N(CCc2cnc[nH]2)C(=O)O[C@]1(C)CCc1ccccc1 4626201 HEVYMFXTILKURB-MSOLQXFVSA-N 329.400 2.504 0 50 EFAA CCn1cncc1CN(C)C(=O)c1cc2sc(C)c(C(=O)O)c2[nH]1 2325788363 AVJXANLSLPNMOL-UHFFFAOYSA-N 346.412 2.725 0 50 EFAA CN=c1[nH]c(=NC[C@H](OC)c2ccc(Cl)cc2)[nH]c2ccccc12 2325853672 YPQCVTDMPIQLHF-INIZCTEOSA-N 342.830 2.968 0 50 EFAA Cc1nnc2ccc(NC[C@@H]3CCCN(C)[C@H]3c3ccccc3)nn12 110590838 AHRGWWBWFOIISE-LPHOPBHVSA-N 336.443 2.928 0 50 EFAA CCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1C 618794 HYTDMEWBJLCIJO-VXGBXAGGSA-N 327.446 2.500 0 50 EFAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCCO1 1062432 OANMTZJIXZDYMQ-ZDUSSCGKSA-N 335.791 2.618 0 50 EFAA Cc1nc(O)cc([C@@H]2CCCN(c3c(C)c(C)nc4ccnn34)C2)n1 2356136829 LKBYMWOJYCDTLI-CQSZACIVSA-N 338.415 2.534 0 50 EFAA CN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(N)c2)CC1 2505794 FNLHWLHIFJNTQU-UHFFFAOYSA-N 344.846 2.926 0 50 EFAA COc1cc2c(cc1SC)sc(C)[n+]2CCCS(=O)(=O)O 2831195 HHYNWECVWKIJAR-UHFFFAOYSA-O 348.491 2.506 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 6715757 AXPGDOZZVUPAER-UHFFFAOYSA-N 343.358 2.909 0 50 EFAA CCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1CC 6726844 KSOBIMXLFYXFTO-UHFFFAOYSA-N 325.825 2.640 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 247024083 QLZNKUFYDHZEFR-HFTRVMKXSA-N 333.451 2.882 0 50 EFAA C[C@H](CN1CCCC1)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67741642 HLCTUYXOVNBTAH-OAHLLOKOSA-N 336.439 2.718 0 50 EFAA CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Cl 101318226 UQYJMFICPDIHSF-CHPZLBCBSA-N 348.786 2.760 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1cccc(Cl)c1 20992161 SQOQKLCEMGJULA-SJORKVTESA-N 337.895 2.806 0 50 EFAA COc1cccc(OC)c1CNc1ccc(-c2nccn2C)nn1 67909373 TZNWFWLOBLNJOH-UHFFFAOYSA-N 325.372 2.506 0 50 EFAA CN(Cc1cc(O)ccc1Br)C[C@H](O)C(F)(F)F 349413887 FYAKGZIWYFSFRV-JTQLQIEISA-N 328.128 2.510 0 50 EFAA COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3C)cn1 65429659 WDTPRHCGNUQTFF-AWEZNQCLSA-N 334.379 2.965 0 50 EFAA O=C1C[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CN1 331521064 KHXCLILGUBSQOU-YUTCNCBUSA-N 340.345 2.594 0 50 EFAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCOCC1 12387543 WYKQEXZLMOVEOM-UHFFFAOYSA-N 340.738 2.519 0 50 EFAA Cc1c(C(=O)Nc2ccc(F)cc2)cccc1N(C)S(C)(=O)=O 67622804 CHLYINBFZLDBHZ-UHFFFAOYSA-N 336.388 2.782 0 50 EFAA CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnnc(-c2ccccc2)c1 355327119 VKSDORGXJQLBCP-SFHVURJKSA-N 338.455 2.994 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc(C)c(F)cc2Cl)o1 328614628 WKJPFVKBWNSXSU-CYBMUJFWSA-N 339.754 2.693 0 50 EFAA O=C(CNc1nc2ccccc2s1)N1CCC2(CCCO2)CC1 71682125 OHCLNLSYZSZGOW-UHFFFAOYSA-N 331.441 2.880 0 50 EFAA CCOC(=O)COc1ccc(NC(=O)NC2CCSCC2)cc1 253397298 MZBRAPAQZYRRQC-UHFFFAOYSA-N 338.429 2.646 0 50 EFAA O=C(c1ccccc1Br)N1N=CC[C@@]1(O)C(F)(F)F 6829291 WPTFCTSUFWKECH-SNVBAGLBSA-N 337.095 2.532 0 50 EFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 363073462 SYFWKYXMDGNITN-KRWDZBQOSA-N 348.358 2.709 0 50 EFAA COC(=O)CN(C)Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 71764492 QIRLUSWBMIDMKA-UHFFFAOYSA-N 332.400 2.880 0 50 EFAA Cc1nc(C)c(CCNC(=O)N2CCC(c3c[nH]cn3)CC2)s1 253433103 RWEZVJRNMUVAKQ-UHFFFAOYSA-N 333.461 2.615 0 50 EFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1cccnc1 71279719 MWWXHPHKWAHKOZ-UHFFFAOYSA-N 340.770 2.597 0 50 EFAA FC(F)(F)CCc1ccnc(NCc2cn3c(n2)SCC3)n1 71764895 LXQSXNBNPKOWHT-UHFFFAOYSA-N 329.351 2.886 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 368245457 QAOMXBZGEAELHU-ZDUSSCGKSA-N 336.391 2.533 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(c1)SCC(=O)N2)c1c(F)cncc1F 368224392 JPTMGNKSHGHKSX-MRVPVSSYSA-N 349.362 2.895 0 50 EFAA Cn1c(CN2CCC(N3CCC[C@H](O)C3)CC2)cc2ccccc21 72410971 WMGMTDVUIZFONU-IBGZPJMESA-N 327.472 2.599 0 50 EFAA Cc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 72422103 WMNIMTMHUXZHTL-GFCCVEGCSA-N 341.440 2.727 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)C1(N2CCCCC2)CCCCC1 216405040 XERLVYJSNKRFSM-UHFFFAOYSA-N 332.492 2.874 0 50 EFAA Cc1cccc(CN(C(=O)[C@@H]2CC3(CCNCC3)CN2C)C(C)C)c1 72410611 ZLOLTTUZGVGVLQ-IBGZPJMESA-N 343.515 2.806 0 50 EFAA COc1ccccc1OC1CCN(C(=O)Cc2cccnc2)CC1 77286465 TWFQDHQOHCZGLS-UHFFFAOYSA-N 326.396 2.703 0 50 EFAA Cc1cc2c(cc1C)[C@@H](N(C(=O)c1cnnn1C)C1CC1)CCO2 377063725 YUURBSWXTFNSKU-HNNXBMFYSA-N 326.400 2.560 0 50 EFAA CC(C)(C)OC(=O)NCc1noc(-c2cccc3oc(O)nc23)n1 496298232 ZFMPEHANMQVDFO-UHFFFAOYSA-N 332.316 2.608 0 50 EFAA COCCn1c(C)cc(C(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)c1C 241435192 NLNLCMBHGPBVBA-PXNSSMCTSA-N 348.487 2.561 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NC[C@H](O)c2ccccc2F)c1 72433665 WONALTUBUACHJR-SFHVURJKSA-N 345.414 2.993 0 50 EFAA C/C(=C\c1ccccc1)CN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 285527910 OYFHVWPXSIJLPK-SKTWIKFTSA-N 326.444 2.856 0 50 EFAA COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC=CCC2)c1 175296608 YWBFOLMGJKLYOR-SNVBAGLBSA-N 346.246 2.845 0 50 EFAA Cc1nc(C)c(S(=O)(=O)N2CCc3c(F)cc(F)cc32)s1 176452626 ZPVSNHPVLCFSER-UHFFFAOYSA-N 330.381 2.790 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286354819 PFQAGZBKNFCIAC-ZWZTZDBGSA-N 345.773 2.620 0 50 EFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 177424238 NWJMZTILCMGTQE-SWLSCSKDSA-N 346.431 2.709 0 50 EFAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1ncc(F)cc1F 221154494 CCHMNICMEANYAI-OAHLLOKOSA-N 343.337 2.513 0 50 EFAA COCCN1CCN(C(=O)[C@@]2(c3ccccc3)CC23CCCC3)CC1 426412287 MZBPXBCUEWBLHZ-NRFANRHFSA-N 342.483 2.679 0 50 EFAA O=C(Cc1ccsc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 223100072 MMNWJUISSWWIMT-LADRWXRNSA-N 343.448 2.854 0 50 EFAA CC(=O)N[C@@H](C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1)C(C)C 220599308 HCTCRMZDRKPYBZ-OAHLLOKOSA-N 348.834 2.507 0 50 EFAA Cc1cnccc1NC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 179407979 DPRIRVRMWFXYFZ-NSHDSACASA-N 346.337 2.595 0 50 EFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1csc(CN)n1 236645279 NQHYPMXDDUQLLD-AWEZNQCLSA-N 331.441 2.594 0 50 EFAA Cc1nc(NCCc2cnn(-c3ccccc3)c2)cc([C@H]2CCOC2)n1 426442499 HGYMIPCLTVWBKM-KRWDZBQOSA-N 349.438 3.129 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCC(=O)c3ccccc3)[C@H]2C1 426690203 APXUDBAMEBINTC-XKGZKEIXSA-N 345.439 2.835 0 50 EFAA C[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc(C(C)(C)C)cc1 239425770 VFSRNGRZFMHWKT-IYYOBANKSA-N 343.423 2.816 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCCc2ccccc21 294268370 RQRBCMYAGMTWMG-NJAFHUGGSA-N 342.439 2.684 0 50 EFAA CSCCc1nc(-c2c[nH]c(=O)c(Cl)c2)n(C(C)(C)C)n1 96153724 QQUXZVMHUAINFN-UHFFFAOYSA-N 326.853 2.947 0 50 EFAA O=C(Nc1nccc2sccc12)[C@H]1CSCN1C(=O)C1CCC1 162662428 HODXMUSWJQQZSZ-GFCCVEGCSA-N 347.465 2.936 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)N(CC)[C@H]1COC[C@@H]1O 95504083 PULJDWBXMVFPBC-KBPBESRZSA-N 342.823 2.742 0 50 EFAA CCSc1ccc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc1 248937341 NIKWDCLLBKWGHT-HUBLWGQQSA-N 329.487 2.956 0 50 EFAA Cc1ccc(OCCCN(C)[C@@H](C)C(=O)Nc2nncs2)c(C)c1 244788064 QIROUZKGKOXEBC-AWEZNQCLSA-N 348.472 2.883 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)NCC2(Cn3ccnc3)CC2)c1 534653381 MAGWHBPKGQQZJG-MRXNPFEDSA-N 341.459 2.639 0 50 EFAA CC(=O)c1ncc(C(=O)NC[C@@H](c2cccc(C)c2)N(C)C)s1 534636208 UNQUBCJVIBPOOD-AWEZNQCLSA-N 331.441 2.687 0 50 EFAA CN1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)nn1CCO 828776913 LQPZTKLQYKKMLA-SFHVURJKSA-N 334.423 2.667 0 50 EFAA CCc1nc2cc(NC(=O)CN3CCCCC3=O)ccc2n1CC 823582485 BKGGSHJSPJBOQE-UHFFFAOYSA-N 328.416 2.570 0 50 EFAA COc1ncc(Cl)c(I)c1C(OC)OC 66054364 CPBPIESCUUJZRD-UHFFFAOYSA-N 343.548 2.640 0 50 EFAA in-vitro O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-n2ccnc2)nc1 1875261208 HWNDNXZOTGSWAF-DJIMGWMZSA-N 339.395 2.772 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NCc2ccc([C@@H](C)O)c(C)n2)[nH]1 1875257711 HEEGVGRTLKKSTE-CYBMUJFWSA-N 335.411 2.638 0 50 EFAA C[C@]1(C(F)(F)F)CCN(C(=O)NCc2cccc(C(=O)O)c2)C1 874404621 LUIDLDIMSDMMSB-AWEZNQCLSA-N 330.306 2.869 0 50 EFAA C[C@@H](C1CCCCC1)N(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C1CC1 1875330081 MAUDBHLBTMGPJH-KBPBESRZSA-N 325.474 2.895 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 1875367327 ZGAQWTKYTMHWAG-ZIAGYGMSSA-N 346.393 2.896 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1ccccc1Cl 1875316477 UBBSUZDIBUVFQU-UHFFFAOYSA-N 326.787 2.893 0 50 EFAA COC(=O)c1ccc(C2(NC(=O)CCc3cscn3)CC2)cc1 1875327646 CYMMJFCKZCCVPG-UHFFFAOYSA-N 330.409 2.668 0 50 EFAA Cc1cccc2c1OC[C@H](NC(=O)c1cc(-c3ccncc3)no1)C2 1875338950 QVOQYLHOXDLWBF-OAHLLOKOSA-N 335.363 2.779 0 50 EFAA O=C(NCCc1ccc(F)cc1F)[C@H]1CC(c2ccc(F)cc2)=NO1 1875345784 JAGPDGCPZPWUQX-QGZVFWFLSA-N 348.324 2.956 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(C)c3)C2)C1 1875358239 OGRJVZIKBCWHSV-IEBWSBKVSA-N 344.503 2.699 0 50 EFAA O=C(N1CCCC[C@H](Cn2cc(C3CC3)nn2)C1)C1(C2CC2)CC1 1875323728 QPDALLAZHLRKBJ-AWEZNQCLSA-N 328.460 2.974 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C[C@@]23CNC[C@H]2C3)C1 952891428 DQYXAKIWLNPHPK-DYESRHJHSA-N 336.483 2.866 0 50 EFAA CCc1cc(CCCn2nc(C)c([C@H]3COCCN3C)c2C)on1 952894380 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Cc1ccc2c(C)c(C(=O)NCCN3CCC[C@H](O)C3)oc2c1C 12373149 APXZOCUGSISNJL-HNNXBMFYSA-N 330.428 2.545 0 50 EFAA CSCCNC(=O)c1coc(COc2cccc3cnccc23)n1 12431209 IQAFGYSVDJZBQC-UHFFFAOYSA-N 343.408 2.895 0 50 EFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1CCCO1 12458792 CYOFNCOYMSGODX-LJQANCHMSA-N 348.462 2.718 0 50 EFAA CCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O 13382307 ZJGPXOYLRPOMHV-UHFFFAOYSA-N 347.484 2.934 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1C(=O)O 14632472 UITCOYFXSDOVAC-STQMWFEESA-N 325.336 2.667 0 50 EFAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C2CCC2)CC1=O 14732048 PTYXEIOIRMWKRG-IBGZPJMESA-N 330.472 2.925 0 50 EFAA O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CN1CCOCC1 19201912 PDEMWNSASTWCNT-UKTHLTGXSA-N 338.816 2.666 0 50 EFAA CCCCCC(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19228681 CSEWWLRIUIUQLO-LLVKDONJSA-N 331.671 2.711 0 50 EFAA Cc1cccc2cc(-c3nccn3[C@H]3CCC(=O)N(C)C3)c(O)nc12 1857687523 VNGGZNHHMCVHSS-AWEZNQCLSA-N 336.395 2.906 0 50 EFAA COc1ncccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 225614933 PYRORWFZQNNPDV-UHFFFAOYSA-N 338.411 2.737 0 50 EFAA O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC[C@H](CCO)CC1 421061404 LRFWGUAHEGRVIV-INIZCTEOSA-N 342.443 2.948 0 50 EFAA COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1 434625189 ITYCSPIRKCDKPR-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2ncc(Cl)cc2Cl)C1 331873705 VCUWEBDTEUDJNP-MFKMUULPSA-N 342.230 2.777 0 50 EFAA COc1ccc(CCNC(=O)N2CCC[C@](C)(O)CC2)c(Cl)c1 332028443 SDZBFUZRJDKWOV-KRWDZBQOSA-N 340.851 2.838 0 50 EFAA COCc1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)ccc1F 237241336 ZSTYYGFHXIHDCL-RLCCDNCMSA-N 335.375 2.830 0 50 EFAA O=C(O)c1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)o1 238005979 CWKLHBVPFWNGCA-UHFFFAOYSA-N 333.315 2.553 0 50 EFAA O=C(c1cccc(NC(=O)C23CCCN2CCC3)c1)N1CCCCC1 239672481 BTGDUUTWBAITCA-UHFFFAOYSA-N 341.455 2.880 0 50 EFAA CC[C@H]1CC[C@H](C(=O)NCCc2ccc(S(C)(=O)=O)cc2)CC1 241644241 PPMUWGMDHSXNKV-KOMQPUFPSA-N 337.485 2.965 0 50 EFAA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 131191361 BQNYAXXFRBKCSZ-GOSISDBHSA-N 338.407 2.689 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CO)c1nc(C2CCCC2)no1 246280690 WSZQSVGPQPZEKU-FPMFFAJLSA-N 336.436 2.639 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(NCC[C@H]3CCCO3)cc2)C[C@@H](C)O1 248721687 SXEYODCZKSLQMC-IIDMSEBBSA-N 332.444 2.917 0 50 EFAA CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1 252494146 NMFMDNWHTCCTBR-HIFRSBDPSA-N 349.500 2.710 0 50 EFAA COC[C@H](O)CNC(=O)NC(c1ccccc1C)c1ccccc1C 252510539 ZNFYIXWNOUSEFC-MRXNPFEDSA-N 342.439 2.699 0 50 EFAA Cn1nncc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 253424832 KZWMKVXAKHEYES-OAHLLOKOSA-N 336.399 2.573 0 50 EFAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1sc2ccccc2c1Cl 263274612 XWFSSWYHHSBKII-SSDOTTSWSA-N 333.818 2.648 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CCN1CCCc1nc(-c2ccccc2)no1 903938604 XQOBIXMJYBRHNA-UKRRQHHQSA-N 329.400 2.854 0 50 EFAA CC1(C)CC[C@H](CC(=O)N2CC(=O)Nc3cc(F)c(F)cc32)OC1 906255484 MSTRUDDACPDXGT-SNVBAGLBSA-N 338.354 2.845 0 50 EFAA O=C(c1nccc2cccnc12)N1CCC[C@](CO)(c2ccccc2)C1 935851890 ZTAFPYFYWQAAKL-NRFANRHFSA-N 347.418 2.796 0 50 EFAA Cn1nc(C2CC2)nc1COc1cccc2c1[C@@H](O)CC(C)(C)O2 842650024 IAWOOTGYLZFYPP-LBPRGKRZSA-N 329.400 2.866 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(Br)cc1F 634847268 CXQOIFQHZWLXRE-RFZPGFLSSA-N 336.544 2.901 0 50 EFAA CC[C@H](C)[C@H]1COCc2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21 642771807 DZWQLOYKHQEXCR-JGVFFNPUSA-N 348.295 2.973 0 50 EFAA Cn1nnc(CN2C[C@H](C(=O)O)CCC23CCCCC3)c1C(F)F 2325791937 KPAZNVIAVHKAHT-LLVKDONJSA-N 342.390 2.752 0 50 EFAA C[C@H]1CN(C)c2ccccc2N(Cc2nc3c(s2)CNCC3)C1 2325813156 QOTNFFTUOIUDDW-ZDUSSCGKSA-N 328.485 2.881 0 50 EFAA C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 187174 PLTREOZVCGOFCP-JTQLQIEISA-N 328.755 2.963 0 50 EFAA CCCN1CCC[C@@H](N=c2[nH]oc(-c3ccccc3)c2C(=O)O)C1 2356156651 LRAJEUSWRAFGDD-CQSZACIVSA-N 329.400 2.748 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356157406 JEPWWKXLZDXKIR-IBGZPJMESA-N 336.395 2.600 0 50 EFAA Cc1nnc2sc(-c3ccc(NC(=O)c4cccnc4)cc3)nn12 4196745 DCMAQPJNYVKKMN-UHFFFAOYSA-N 336.380 2.809 0 50 EFAA COc1cccc(Nc2nc(N)nc(CN3CCCCCC3)n2)c1 4418010 VEUFNZJZFNFITC-UHFFFAOYSA-N 328.420 2.582 0 50 EFAA O=C(Nc1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 4840548 AUQBMWSBKJDJJE-QGZVFWFLSA-N 344.436 2.908 0 50 EFAA Cc1nc([C@H]2CCCNC2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 67457709 GZBAZVLYUUYTBU-AWEZNQCLSA-N 342.491 2.909 0 50 EFAA CCCN(CC)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 67935247 OATDZSBVFAFZEV-UHFFFAOYSA-N 325.416 2.988 0 50 EFAA CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 250208440 LOZLMLFMHFDBIO-KBAYOESNSA-N 349.496 2.996 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)nc1 67695705 BCQGZDQHTFTNNV-UHFFFAOYSA-N 335.407 2.995 0 50 EFAA O=C(NCCc1ccc(Cl)s1)N[C@@H]1CCN2CCCC[C@@H]12 229816348 ZQDFAFLRLMCCJH-OLZOCXBDSA-N 327.881 2.870 0 50 EFAA O=C(O)c1sccc1S(=O)(=O)N1CC[C@@H](c2ccccc2)C1 314995845 HAPDRTCXYVMPSJ-GFCCVEGCSA-N 337.422 2.625 0 50 EFAA C[C@@H](CC(=O)N1CCC[C@H]1c1nncn1C)c1ccc(F)cc1F 121164199 SXMRGYGOVNFSCJ-NHYWBVRUSA-N 334.370 2.951 0 50 EFAA O=C(COc1ccccc1)NCC1=CCCN([C@H]2C=CCCC2)C1 65393603 WQGMWPRWMXYMSQ-SFHVURJKSA-N 326.440 2.922 0 50 EFAA Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 65365032 PZOWKAYCSWVQBN-UHFFFAOYSA-N 339.443 2.536 0 50 EFAA CN(c1cc(C(N)=O)c2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252513166 XTADRDTYBPHVIU-CSMYWGQOSA-N 325.412 2.583 0 50 EFAA CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)C1 252679767 QVPXDDDVAVETCW-QZWWFDLISA-N 333.476 2.677 0 50 EFAA O=C(NCCF)NCc1cc(Br)ccc1OC(F)F 281963759 YWJAUTNZUADNAR-UHFFFAOYSA-N 341.127 2.819 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)N1CCN(CCc2ccccc2)CC1 181812883 JCGRAGHUUDDMHV-IBGZPJMESA-N 345.487 2.516 0 50 EFAA CCc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)s1 72479934 CRGGHMJECQTCPU-CQSZACIVSA-N 336.501 2.883 0 50 EFAA CN1CCC(N2CCN(Cc3c(Cl)cncc3Cl)CC2)CC1 215157785 YIGJEXYWUHWEIC-UHFFFAOYSA-N 343.302 2.600 0 50 EFAA O=C([C@@H]1CCC[C@@H](C(=O)N2CCCCCO2)C1)N1CCCCCO1 329952927 NLSXTTISPIQLAC-HZPDHXFCSA-N 338.448 2.681 0 50 EFAA CN(C)c1cc(C(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)ccn1 356361623 MLUBEFFRXKZGFR-OAHLLOKOSA-N 345.365 2.720 0 50 EFAA CN(C)c1cc(C(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)ccn1 356361618 MLUBEFFRXKZGFR-HNNXBMFYSA-N 345.365 2.720 0 50 EFAA CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1 72168326 FOPLMMSPAUIXBY-GOSISDBHSA-N 336.501 2.633 0 50 EFAA CSc1ccc(CN2CCn3nc(CCC(=O)O)cc3C2)cc1 72173908 DQTDZRVGXYMMCX-UHFFFAOYSA-N 331.441 2.638 0 50 EFAA CSc1cc(C)ccc1CNC(=O)N[C@@H]1CCc2[nH]ncc2C1 152343205 GWJLOUQIBIVVKL-CQSZACIVSA-N 330.457 2.797 0 50 EFAA Cc1cccc(OC2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)c1 77320351 RBLYUZDTLBSYHR-UHFFFAOYSA-N 326.396 2.675 0 50 EFAA Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C 176281397 IJJYOVOROGMEQO-WBMJQRKESA-N 345.447 2.602 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nn2cnc3ccccc3c2=O)o1 365200912 HAEHWUSIURAGKY-UNQGMJICSA-N 349.390 2.987 0 50 EFAA CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc2ncccc2c1 362163505 OQEBDERCMFYJTQ-UHFFFAOYSA-N 342.376 2.758 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)cc1 365820352 MVGCCMHDJPEPPA-GOSISDBHSA-N 338.407 2.523 0 50 EFAA Cc1ccc(-n2cccn2)c(CN(CCN(C)C)C[C@@H]2CCCO2)c1 216239216 QVQZJICKIBSQQO-IBGZPJMESA-N 342.487 2.723 0 50 EFAA CCCn1ccc2ccc(NC(=O)NC3CCS(=O)(=O)CC3)cc21 156034362 LADYCOLIZCFZMB-UHFFFAOYSA-N 349.456 2.750 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 237374947 FBJOPNYGTKUYRF-OLZOCXBDSA-N 332.835 2.725 0 50 EFAA CCC(=O)N[C@H](C)C(=O)NCc1cc(C)cc2c(C)c(CC)[nH]c12 77539195 YYLZPEFXERCGLN-CYBMUJFWSA-N 329.444 2.878 0 50 EFAA O=C(CC1CCNCC1)Nc1ccc(NC(=O)c2ccco2)cc1 238149544 UVRQLMKHMMJGDR-UHFFFAOYSA-N 327.384 2.860 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C2CCCCCC2)nn1 72161300 QEFYHPBKDHGMIV-UHFFFAOYSA-N 344.463 2.828 0 50 EFAA CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)c2ccccc21 284607513 AWHWPHFFLHMKJT-KEYYUXOJSA-N 338.455 2.953 0 50 EFAA C[C@@H](CCc1n[nH]c2ccccc12)N[C@H]1CCO[C@@H]1c1ccnn1C 492754979 RUIWLVIYVXAYNO-IXDGSTSKSA-N 339.443 2.737 0 50 EFAA CN(Cc1cccnc1N)[C@H]1CCCN(Cc2ccccc2F)C1 72128255 GFGQRFXOZWHKOX-KRWDZBQOSA-N 328.435 2.899 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)C[C@@H]2CSCCS2)CC1 375961668 COCRHYKITLRZRB-CYBMUJFWSA-N 325.503 2.663 0 50 EFAA Cc1nc(C)n(-c2ccc(C(=O)N3C[C@H](C)Oc4ncccc43)cc2)n1 158542385 QUMCPIQSVOUSCO-LBPRGKRZSA-N 349.394 2.707 0 50 EFAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 284926298 CCZPJQOKIKPMFN-CEXWTWQISA-N 337.423 2.796 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3noc(CC)n3)C2)CCC1=O 77565159 GYRZPGYLENTYJH-SFHVURJKSA-N 334.464 2.637 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)c2nccc(C)c2c1 241121765 JDTFKUUKSLXUKX-WFKAVXFJSA-N 330.453 2.833 0 50 EFAA CN(C[C@@H]1CC12CCN(C(=O)c1cc(C3CC3)on1)CC2)C1CC1 241326086 LZEBVZXPLIJZFR-AWEZNQCLSA-N 329.444 2.889 0 50 EFAA Cc1cscc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 241515650 OGSVWAWXVLYZAW-FUHWJXTLSA-N 344.480 2.669 0 50 EFAA O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2O1 174815498 MPMSCHYBNNOJAV-QGZVFWFLSA-N 349.346 2.748 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)c1n[nH]c(N)c1-c1ccccc1 71767539 QYOSQLGAMIQXFV-UHFFFAOYSA-N 325.372 2.536 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1 285646626 XLRQLTOTEACRJZ-FQEVSTJZSA-N 340.471 2.831 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 229657136 VLXNDFRCVJSSPS-CKEIUWERSA-N 335.423 2.931 0 50 EFAA Cc1nnc(NC(=O)CSc2nnc(C3CC3)n2C(C)C)s1 17071042 LSVHUFMNRLUYKC-UHFFFAOYSA-N 338.462 2.627 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)c(-c2ccccc2)n1 426634185 LVMZFNUYLBYXSZ-MRXNPFEDSA-N 348.410 2.856 0 50 EFAA CCc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)[nH]1 91871717 GRTSLPWOTKSEEZ-HXUWFJFHSA-N 343.471 2.974 0 50 EFAA O=C(NCCSC1CCCCC1)c1ccc2c(c1)ncn2CCO 97610087 LAGHDYGCXGDROC-UHFFFAOYSA-N 347.484 2.824 0 50 EFAA O=C(c1cc[nH]c1)N1CCC(c2nccn2Cc2ccccn2)CC1 95530641 OQVNPESGNPWOMJ-UHFFFAOYSA-N 335.411 2.674 0 50 EFAA O[C@H](c1ccccn1)C1CCN(c2ccnc(C(F)(F)F)n2)CC1 91645465 AWBQNEVHAHDXQV-AWEZNQCLSA-N 338.333 2.840 0 50 EFAA O=C(CCN1CCOCC1)N1CCCC[C@H]1CCc1ccccc1 91574345 SDFJIEVVNBSWFQ-IBGZPJMESA-N 330.472 2.723 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1cc(C3CC3)[nH]n1)C2 91550905 JOJKDHFCOXYOHK-AWEZNQCLSA-N 341.411 2.505 0 50 EFAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 91872157 BKPKBLUSIGFRHQ-OAHLLOKOSA-N 328.456 2.897 0 50 EFAA Cc1[nH]nc(CCC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c1C 96179608 WXIMFQSJVJFJFJ-UHFFFAOYSA-N 349.438 2.934 0 50 EFAA COC(=O)c1ccc(NC(=O)NCC2(O)CCCCC2)cc1Cl 95497860 CHWGKJKZNMVTNU-UHFFFAOYSA-N 340.807 2.943 0 50 EFAA CC(C)n1cnnc1CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95387262 XYBABNKPQJBROS-MRXNPFEDSA-N 328.416 2.937 0 50 EFAA O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCN1 182838880 JOUXDPQRTGWBQI-AWEZNQCLSA-N 335.860 2.874 0 50 EFAA CNc1ncc(CN(C)C(=O)Nc2ccnn2[C@@H](C)C(C)C)cn1 299757812 JTDQKMGRNNRDKQ-LBPRGKRZSA-N 331.424 2.596 0 50 EFAA COc1ccc(C2CCN(C(=O)c3cc(OC)ns3)CC2)cn1 863947775 GRGVKWDOOTYQDG-UHFFFAOYSA-N 333.413 2.575 0 50 EFAA O=C(Nc1ccc(F)c(F)c1)N[C@H]1CCCN(C(=O)c2ccco2)C1 828047550 MQRGBSIEJVWQEL-LBPRGKRZSA-N 349.337 2.984 0 50 EFAA COc1ncnc(C)c1-c1cccc(C(=O)NC[C@]2(C)CCCO2)c1 584885016 RZAGHUORBVXCSB-IBGZPJMESA-N 341.411 2.760 0 50 EFAA C[C@@H](OC(=O)[C@@H]1CCc2nnnn2C1)c1ccccc1C(F)(F)F 1875287259 BODJPPXKEIVKHX-NXEZZACHSA-N 340.305 2.559 0 50 EFAA C[C@H](OC(=O)[C@@H]1CCc2nnnn2C1)c1ccccc1C(F)(F)F 1875287261 BODJPPXKEIVKHX-VHSXEESVSA-N 340.305 2.559 0 50 EFAA O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CC(C2CCOCC2)=NO1 1875301009 ZXEITFJICYXQBB-FUHWJXTLSA-N 346.402 2.891 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCC1CC2(C1)CC2(F)F 1875314542 DNYXDPFAKZPCHY-YCGMLPIZSA-N 339.386 2.608 0 50 EFAA CO[C@@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](F)[C@@H](c2ccccc2)C1 1875362477 HCUOJJVQNZMZJL-QBPKDAKJSA-N 341.448 2.711 0 50 EFAA Cn1c(-c2noc(C[C@@H]3C[C@H]4OCC[C@H]4O3)n2)cc2ccccc21 1875306067 RLRUUPAGEQTEFI-APHBMKBZSA-N 325.368 2.717 0 50 EFAA Cc1cc2c(cc1C)[C@H](NCc1cnn3c1CN(C)CC3)CCCO2 952889877 NUSNQERELAQXIS-GOSISDBHSA-N 340.471 2.949 0 50 EFAA CC(C)n1ccnc1CN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886084528 FNZALYBEACRKAX-SFHVURJKSA-N 343.475 2.574 0 50 EFAA FC(F)(F)c1ccc(Cl)c(-n2cc(CN3CCOCC3)nn2)c1 887429236 JGMLOOWZSJFLBF-UHFFFAOYSA-N 346.740 2.772 0 50 EFAA CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCc3nc[nH]c31)CCO2 1775987151 DNSFFLJVHVNHGQ-UKRRQHHQSA-N 341.411 2.868 0 50 EFAA CC[C@H](CCc1ccccc1)NC(=O)c1cn2cc(CN)ccc2n1 1354381788 QMBITOJSRFZGFO-QGZVFWFLSA-N 336.439 2.934 0 50 EFAA O=C(Cc1cccnc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565531155 YLXTUYVVHBRZPA-UXHICEINSA-N 335.451 2.747 0 50 EFAA C[C@@H](CS(C)(=O)=O)C(=O)NC1CCC(c2ccc(F)cc2)CC1 272726327 HDHZSGHJVGLLOB-YGONEPDPSA-N 341.448 2.649 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)Cn2c(C)nc3ccccc32)n[nH]1 408470091 ZBSXUSPJCGZGRZ-MRXNPFEDSA-N 338.415 2.525 0 50 EFAA CCCOc1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)c(C)c1 170609863 DGMGIUMRIXCEAD-OAHLLOKOSA-N 327.428 2.859 0 50 EFAA CC[C@H](NS(=O)(=O)c1ccc(F)c(OC)c1)c1nccs1 170604990 SONWNDYIARERAM-NSHDSACASA-N 330.406 2.720 0 50 EFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1F 170668400 KOBDVKHRHSUMOY-UHFFFAOYSA-N 331.366 2.754 0 50 EFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc(O)n1 279377243 HNXCNOFBQVAJNM-ALOPSCKCSA-N 337.423 2.713 0 50 EFAA COc1ccc(CN(C(=O)[C@@H]2CCCCC(=O)N2)[C@@H](C)C2CC2)cc1 281237658 SRVWHEHOZPODNK-KSSFIOAISA-N 344.455 2.881 0 50 EFAA CCc1ccc(O)c(NC(=O)c2ccc(OC)c(OCCO)c2)c1 281482343 GYHBTVVDUCGFQJ-UHFFFAOYSA-N 331.368 2.587 0 50 EFAA OC[C@H](Cc1c[nH]c2ccccc12)NCc1cccc2c1OCCO2 172067626 QOAWTPLUPMZKNS-INIZCTEOSA-N 338.407 2.632 0 50 EFAA CN(C)c1noc([C@@H]2CCCN(c3ncnc4cccc(F)c34)C2)n1 188549864 RHGKETHGFOELMP-LLVKDONJSA-N 342.378 2.602 0 50 EFAA Cc1nc(-c2cn(CC(=O)N3c4ccccc4C[C@@H]3C)nn2)cs1 640761866 ZKWIIGAKQSXBRC-NSHDSACASA-N 339.424 2.688 0 50 EFAA COc1cccc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 191116195 BKXGFFOABFFHEX-CQSZACIVSA-N 334.416 2.825 0 50 EFAA CC(C)N(C)c1cccc(NC(=O)NCc2nnn(C(C)(C)C)n2)c1 653983556 DBORQSKFEUXJBA-UHFFFAOYSA-N 345.451 2.594 0 50 EFAA CCc1ccnc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c1 664807533 VZRAUOLWBZLRJH-OKZBNKHCSA-N 325.387 2.921 0 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MCKHGCMDNAFTHD-QGZVFWFLSA-N 335.835 2.717 0 50 EFAA Cc1ccc(Cl)c(C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c1 1857723833 YOYZSKODFOQCQE-ZQIUZPCESA-N 334.847 2.630 0 50 EFAA Cc1noc2ncnc(N3C[C@H](O)C[C@H]3c3ccc(F)c(F)c3)c12 225696149 AZANPVGNMIOVTP-MFKMUULPSA-N 332.310 2.517 0 50 EFAA Cn1ccnc1[C@H]1C[C@@H](N=c2nc(C3CCCC3)[nH]s2)CCO1 333742110 XSOVDUYCTDSUDZ-QWHCGFSZSA-N 333.461 2.683 0 50 EFAA Cc1cc(Br)cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c1 130615482 ZMKCOIOGWBRODB-LBPRGKRZSA-N 328.206 2.987 0 50 EFAA Cc1nnc([C@H]2CN(Cc3noc(C4CCCCC4)n3)C[C@@H](C)O2)o1 661930666 QQWNPSADJQNCCD-BXUZGUMPSA-N 347.419 2.771 0 50 EFAA O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc2ccccc2[nH]1 151240159 GDYCFIVKIWSRFH-MRXNPFEDSA-N 325.412 2.831 0 50 EFAA Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 363706117 LZQSPVVJDJGKCW-FQEVSTJZSA-N 339.439 2.628 0 50 EFAA CS[C@H](C)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 263876046 GVPDWQPKFJGZGR-SNVBAGLBSA-N 339.848 2.886 0 50 EFAA O=C(NCc1nnc[nH]1)C1(c2cccc(Br)c2)CCCC1 264701368 CDSMEDGHQDNHII-UHFFFAOYSA-N 349.232 2.695 0 50 EFAA C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 164320872 ANQPQBZTOYLUOX-DOMZBBRYSA-N 349.427 2.884 0 50 EFAA COc1c(F)cc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1F 903634758 NEHAMOAHOOGSCI-UHFFFAOYSA-N 340.351 2.658 0 50 EFAA Cc1nc2ccc(NC(=O)c3cncc(Br)c3C)cn2n1 1270228359 MEYGNFPEWYULPI-UHFFFAOYSA-N 346.188 2.756 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)C1CC2(C1)CC2(F)F 851604654 CQMAOIYASJRFDT-JYHUIVOISA-N 327.302 2.546 0 50 EFAA COC(=O)[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1OC 111421 AUEJKAYMDPANCB-SFHVURJKSA-N 326.352 2.657 0 50 EFAA COC1(CCN2C(=O)CCN(C[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)C2=O)CCC1 2325779794 CZNLOAWDAKWSGI-QXSJWSMHSA-N 334.460 2.892 0 50 EFAA Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)nn1CCN 2325856702 ZSDVRRJTMAAVRJ-UHFFFAOYSA-N 329.791 2.604 0 50 EFAA Cn1c(=O)oc2c(C(=O)N3CC[C@H](Cc4ccccc4)C3)cccc21 123664957 PQNFRWBUKXIQTR-OAHLLOKOSA-N 336.391 2.836 0 50 EFAA O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 280787 XIJVRDKNVIPWNE-UHFFFAOYSA-N 329.736 2.978 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 373750 LCVNVBGVZZKOAN-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA O=C(c1cnc(O)c2ccccc12)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356143322 CQKFMEGHNJYYRY-FQEVSTJZSA-N 348.406 2.784 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6742435 ZYTSDKBXFBEUHB-NXEZZACHSA-N 325.386 2.754 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 7306025 XQEFOPYWEZMHKA-LBPRGKRZSA-N 330.409 2.785 0 50 EFAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 7382469 HMLNSVCPXYMSAW-INIZCTEOSA-N 340.423 2.811 0 50 EFAA CCn1cc(CCN2CCN(c3nccc4sccc34)CC2)cn1 343958248 FPLQVUQVLNSHGF-UHFFFAOYSA-N 341.484 2.877 0 50 EFAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCCC[C@@H]2C)CC1=O 9342062 XFMDYOUHMGEGOO-LSDHHAIUSA-N 330.428 2.758 0 50 EFAA CCc1noc(CN(C(=O)c2ccccc2-n2cccn2)C(C)C)n1 20636941 XHQGIQGGLSDGAA-UHFFFAOYSA-N 339.399 2.869 0 50 EFAA Cc1nc2c(c(N(C)Cc3cccc4cnccc34)n1)CCNCC2 65430284 BWTXFFRPTNVFPM-UHFFFAOYSA-N 333.439 2.658 0 50 EFAA O=C(c1ccc2c(c1)CNC2)N1CCO[C@@H](CCc2ccccc2)C1 423773064 MBGJQOMDDKJKDT-FQEVSTJZSA-N 336.435 2.764 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 252494080 NKKGLZRZBFRZLB-XJTZBENFSA-N 339.391 2.757 0 50 EFAA C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c2ccccc21 230135171 GWIUFWHUTXGDRG-LBTNJELSSA-N 341.455 2.935 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H](C)CN)CCO2 67895077 RBKIZWNPXMKZKK-CQSZACIVSA-N 340.423 2.683 0 50 EFAA CC(C)n1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 66388253 OAJQWWAZGCEAKW-MRXNPFEDSA-N 342.399 2.834 0 50 EFAA Fc1cccc(Cn2cc(NC(=S)N3CCSCC3)cn2)c1 2802985 CPZZYGPRNXPIPZ-UHFFFAOYSA-N 336.461 2.816 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NCc2ncccc2C(F)(F)F)CCO1 328636681 OEZKXRVBBVPKHD-NHYWBVRUSA-N 340.349 2.844 0 50 EFAA O=C(c1cnn2ncccc12)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 328671305 HDEGWDLUYKTZTK-CYBMUJFWSA-N 338.333 2.924 0 50 EFAA CCc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 6489940 YZLPVYOOVWGIKX-ABAIWWIYSA-N 344.333 2.875 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)Cc1cc(F)cc(F)c1 77489111 XCOZXXOIOSVRIC-HNNXBMFYSA-N 325.355 2.842 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1noc(C2CC2)n1 257366467 ZSJWSEONMNALEJ-CVEARBPZSA-N 343.427 2.832 0 50 EFAA O=C(Nc1cnn(CC2CC2)c1)[C@@H]1CCCN1C(=O)c1cccs1 173354628 KOYCSZPCCVAZFE-AWEZNQCLSA-N 344.440 2.598 0 50 EFAA COc1cc(NC(=O)[C@H]2CCc3n[nH]cc3C2)ccc1OC(C)C 363929803 VSWKJBJTVKMFCS-LBPRGKRZSA-N 329.400 2.949 0 50 EFAA Cc1cc(CN(C)Cc2ccc(O[C@H](C)C(=O)O)c(Cl)c2)n[nH]1 215343678 RHCZHHMLNPJJAH-LLVKDONJSA-N 337.807 2.855 0 50 EFAA O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)C1(c2cccnc2)CCCC1 368180894 AHJMUSIVFNSJQQ-CQSZACIVSA-N 340.427 3.149 0 50 EFAA C[C@@H]1COCCN1CCN1CCC(c2nc3cccc(F)c3[nH]2)CC1 369202471 IMASIZDBZJEVTR-CQSZACIVSA-N 346.450 2.602 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc2c(c1)OCCCO2 370798497 PKCAXSZHVDCKNB-GFCCVEGCSA-N 338.363 2.835 0 50 EFAA C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)c1cnc2ccccn2c1=O 371012700 ZCDFGFJMWUJRHA-CHWSQXEVSA-N 339.420 2.774 0 50 EFAA CC[C@H]1CN(C2CCN(CC)CC2)CCC(=O)N1Cc1ccccc1 71753281 CDZIMGXZQCUSEP-IBGZPJMESA-N 343.515 2.984 0 50 EFAA CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCCC(=O)O 35454832 MKYUCBXUUSZMQB-HYAXQORXSA-N 328.449 2.797 0 50 EFAA endogenous,in-man CN(Cc1cccc2ncccc12)C(=O)c1ccccc1-c1nnn[nH]1 72426817 GNRHGLGZZKHQTP-UHFFFAOYSA-N 344.378 2.687 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 237968638 AHCDWDHPFMFXPJ-NSHDSACASA-N 333.413 2.855 0 50 EFAA COCCn1cncc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 71747843 ORQIFZMLIURTSR-QGZVFWFLSA-N 335.835 2.756 0 50 EFAA CCCN1CC2(CCN(Cc3csc(C)n3)CC2)C[C@@H]1C(=O)O 72122271 PRFSTDVACKVUKE-OAHLLOKOSA-N 337.489 2.603 0 50 EFAA CCc1nsc(N2CCCN(Cc3cn(C(C)C)nc3C)CC2)n1 241644171 POWKSZUMNGOYKW-UHFFFAOYSA-N 348.520 2.899 0 50 EFAA CN(c1ccccc1)C1CCN(C(=O)NC[C@H]2CCCOC2)CC1 175939715 AUHBWVCOPSPIGT-MRXNPFEDSA-N 331.460 2.723 0 50 EFAA COC(=O)CN(C(=O)c1cnc2ccccc2n1)c1cccc(F)c1 176959574 BIAABTWNUAZIEN-UHFFFAOYSA-N 339.326 2.589 0 50 EFAA C[C@@H](C(=O)NCc1cccs1)N1CC[C@@H](CNc2ccccn2)C1 222198015 XTAACWJUSHVDJG-GJZGRUSLSA-N 344.484 2.582 0 50 EFAA CCc1oc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1C 177951583 DHZPJYSPDWYHRH-UHFFFAOYSA-N 327.428 2.940 0 50 EFAA Cc1nnc(NC(=O)NC2CCN(Cc3ccccc3)CC2)s1 40526546 HHGJNXLINFHQCO-UHFFFAOYSA-N 331.445 2.633 0 50 EFAA Cc1nnc(SCCCNC(=O)CCc2scnc2C)s1 82099595 WBHHFWRMAZDDOP-UHFFFAOYSA-N 342.515 2.843 0 50 EFAA O=C(NCc1cccc(F)c1)N1CCN(C2CCSCC2)CC1 426612916 RZRLRDCUKQYOPN-UHFFFAOYSA-N 337.464 2.549 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)N1CCCC[C@H]1c1ccccn1 426503955 GMFYZWOLIBMSHP-KRWDZBQOSA-N 327.432 2.901 0 50 EFAA COc1cc(=O)[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)n1 95544265 AZSYFLAFIGEVKS-UHFFFAOYSA-N 338.257 2.766 0 50 EFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC(c2ncc[nH]2)CC1 96163702 TVHXKLWTDNSQFW-UHFFFAOYSA-N 339.374 2.959 0 50 EFAA Cn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95352723 LUBSBJGMOSPMTO-FUHWJXTLSA-N 328.435 2.656 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1noc2c1CCCC2 237776865 GXOYJSXCJKRMQE-UHFFFAOYSA-N 330.340 2.578 0 50 EFAA CC(=O)Nc1cc(NC(=O)N(C)Cc2nncn2C(C)C)ccc1F 96130507 LRPIQOQKHYPQEW-UHFFFAOYSA-N 348.382 2.620 0 50 EFAA CCc1c(C(=O)N2CCC[C@@H](CO)CC2)cnn1-c1ccccc1C 294625131 ROJHSQPQQAXMQN-MRXNPFEDSA-N 341.455 2.978 0 50 EFAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC(c2ncon2)CC1 97370358 GRJMPUJJJKEBPZ-ZDUSSCGKSA-N 329.400 2.857 0 50 EFAA Cn1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 244811710 SJSLHFJMWUQJAI-UHFFFAOYSA-N 343.818 2.552 0 50 EFAA Cc1c[nH]c(C(=O)NC2CCN(Cc3ccccc3Cl)CC2)n1 244794803 QTVQIVTVVVUYCB-UHFFFAOYSA-N 332.835 2.766 0 50 EFAA CCn1cc(C2CCN(C(=O)CCc3ccc(O)cc3)CC2)cn1 183919960 YRSINCIRHILFDT-UHFFFAOYSA-N 327.428 2.947 0 50 EFAA Cn1nnc2ccc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc21 184079161 JYVHROOSEFFDOG-AWEZNQCLSA-N 338.386 2.812 0 50 EFAA Cc1cccc(OC2CN(C(=O)NCc3nc(C(C)(C)C)no3)C2)c1 534648702 ZUEYQQSRIYIWBQ-UHFFFAOYSA-N 344.415 2.648 0 50 EFAA CC(C)c1cc(CN[C@@H](C)Cn2cnc3ccccc3c2=O)no1 534584482 OLIVIFRKCLBOGA-ZDUSSCGKSA-N 326.400 2.686 0 50 EFAA COC(=O)CNC(=O)C[C@@H](c1cccc2ccccc12)n1cccc1 263588897 ZOYVHNASIVUQBM-SFHVURJKSA-N 336.391 2.910 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3noc4ccccc34)[C@H]2C1 299768656 LPLCMYZJBHDOOM-XVGQJIODSA-N 344.411 2.555 0 50 EFAA CC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCO2)c1ncnn1C 299775127 HHNDQNBCCMCARK-OAHLLOKOSA-N 328.416 2.657 0 50 EFAA CSCC1CCN(C(=O)Nc2cccc(-n3cnnc3)c2)CC1 299784300 NPAYAKANWQQQIF-UHFFFAOYSA-N 331.445 2.874 0 50 EFAA COCCOc1ccc(CNC(=O)N2CCC(F)(F)CC2)cc1 584903318 CEDVLKOCSWVFCE-UHFFFAOYSA-N 328.359 2.653 0 50 EFAA COc1ccc(Cn2nc(-c3ccccc3)nc2[C@@H]2CCC(=O)N2)cc1 670448922 NDJQVMLKQBBDGN-KRWDZBQOSA-N 348.406 2.953 0 50 EFAA O=S(=O)(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1[C@H]2CCCC[C@H]21 1875289672 IHBDLELJBNHWRG-HALDLXJZSA-N 349.431 2.619 0 50 EFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NCC[C@H](C(C)C)N(C)C 1875310598 VMJZRPJFGQPFNN-CYBMUJFWSA-N 348.882 2.706 0 50 EFAA CN1CCC[C@H](c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)C1 951726559 BKLOIGZNULIVAK-ZDUSSCGKSA-N 342.472 2.728 0 50 EFAA COc1cc(CCNC[C@H]2CCO[C@@H]2c2cnn(C)c2)ccc1C 886093794 IHKWDMSODPXRPJ-APWZRJJASA-N 329.444 2.647 0 50 EFAA O=C(Nc1ccnn1C1CCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 890353144 DHYPOEVBQLFSJQ-GFCCVEGCSA-N 342.374 2.739 0 50 EFAA Cc1cccc(C2(CNC(=O)[C@@H]3NCc4ncncc43)CCCC2)c1 1775962497 OOWYXWHERFMOTF-GOSISDBHSA-N 336.439 2.558 0 50 EFAA O=C(c1cc(-c2ccco2)on1)N1CCc2[nH]nc(C(F)F)c2C1 1775986495 VREPSTOUSQWNBK-UHFFFAOYSA-N 334.282 2.794 0 50 EFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@](O)(C2CCC2)[C@@H](C)C1 1565530302 FIQWAQVAAXPYDW-VBKZILBWSA-N 346.471 2.731 0 50 EFAA CNc1nc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)cs1 1565505875 HKOXRPJAPWLUAS-PBHICJAKSA-N 343.500 2.676 0 50 EFAA C[C@@]1(c2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)CCCO1 301627868 HLFONWKGWIJQID-IBGZPJMESA-N 325.412 2.766 0 50 EFAA Nc1cc(Cl)c(C(=O)N2CCOC3(CCCCC3)C2)c(Cl)n1 408522292 GZOUHPPQNMYARB-UHFFFAOYSA-N 344.242 3.146 0 50 EFAA CC(C)Oc1cc(NC(=O)N2CCN(c3ccccn3)CC2)ccn1 681850605 ZJCBRFVRVJLDDC-UHFFFAOYSA-N 341.415 2.618 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@@H]2CC(=O)N(C)C2)c1C 170090566 HOWNXKSVNSRTAH-GFCCVEGCSA-N 346.818 2.559 0 50 EFAA O=C(Cc1ccc2c(c1)CCCC2)NCc1nc(C(=O)O)cs1 170000608 YXQUMDZVGBJBMX-UHFFFAOYSA-N 330.409 2.579 0 50 EFAA O=C(Nc1cc(-c2cccc(Cl)c2)on1)N[C@H]1CCCCNC1=O 278768604 WGBZQNYHBADBKH-LBPRGKRZSA-N 348.790 2.785 0 50 EFAA C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H](C)N1C 170597497 NSOBVUVIICFUSG-UWVGGRQHSA-N 329.213 2.753 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@H]3C(C)=CCC[C@@H]3C)CC2)nn1 170604388 LNGLKOSYOVDCPY-HOCLYGCPSA-N 332.448 2.694 0 50 EFAA CCCN1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1=O 170606425 MQCBIFQPKDPPGF-GJZGRUSLSA-N 334.847 2.914 0 50 EFAA CC(C)(O)CN1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 171151272 UCCPFDQDKXWSPC-UHFFFAOYSA-N 349.862 2.884 0 50 EFAA Cc1cc(C(=O)NC2CCN(C(=O)Cc3cccs3)CC2)c(C)o1 171292268 WAGPPLBCXSVJEV-UHFFFAOYSA-N 346.452 2.921 0 50 EFAA COc1cc(OC)cc(N2CC[C@H](Sc3nc(C)co3)C2=O)c1 188429501 JEIAQHJGIAVYJH-AWEZNQCLSA-N 334.397 2.898 0 50 EFAA COc1cccc(N2CCC[C@@H](NC(=O)c3cn[nH]c3C(C)C)C2)c1 189399079 IPQQIABGCHXYEP-CQSZACIVSA-N 342.443 2.941 0 50 EFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCCCC[C@H]1c1ncon1 189625721 ZUDCRKWCUCDTTB-HNNXBMFYSA-N 338.367 2.669 0 50 EFAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N[C@H](CO)c1ccccc1 190956617 FCUDWWXTBRNQAN-OTWHNJEPSA-N 340.423 2.797 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CCCc3cccnc32)o1 192460923 NJASKWBXJPRXES-SFHVURJKSA-N 341.455 2.993 0 50 EFAA C[C@H](NC1(CNC(=O)CC2OCCCO2)CCCC1)c1ccccc1 193257059 IOMXPMVVXZPDHM-INIZCTEOSA-N 346.471 2.919 0 50 EFAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCCOc1cccc2ccccc12 194308004 BEOLPBGVHSNQSG-KUHUBIRLSA-N 340.423 2.640 0 50 EFAA CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H]1c1ccccc1 663161357 QREVFNDXORUZEV-KZNAEPCWSA-N 339.439 2.898 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1F 678036120 YSBAFMXCPGLXTC-GFCCVEGCSA-N 346.381 2.831 0 50 EFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)CCCc1cn[nH]c1 1506419424 BYDYYGGQCGTMIU-CYBMUJFWSA-N 329.400 2.723 0 50 EFAA Cc1nc(S(=O)(=O)N[C@H](C)C(C)C)sc1Br 125504055 YJQIWJFOECLRGM-ZCFIWIBFSA-N 327.269 2.537 0 50 EFAA NC(=O)C[C@@H]1CCCN(c2ncc(Br)cc2Cl)CC1 671440260 FHRFURKEJNFVKX-SECBINFHSA-N 346.656 2.979 0 50 EFAA C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12002000 XCXAPZCDJCETGS-KBPBESRZSA-N 336.457 2.765 0 50 EFAA CCN(CC)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14543758 DZKMRAWFLKAASM-MRXNPFEDSA-N 346.519 2.974 0 50 EFAA COC(=O)[C@@H]1CCCCN1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 15062697 YBWSFRMYVLMUHG-HNNXBMFYSA-N 347.390 2.752 0 50 EFAA c1cncc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 19636923 GHROGEWXLCJBFZ-UHFFFAOYSA-N 334.379 2.759 0 50 EFAA O=C(O)c1n[nH]c2c1CN(Cc1ccc(-c3ccccn3)cc1)CC2 1857675333 TZWFOODGCQBUHQ-UHFFFAOYSA-N 334.379 2.728 0 50 EFAA C[C@@H]1[C@@H](NC(=O)C[S@@](=O)Cc2cn3ccccc3n2)CCC[C@H]1C 225412207 SPEQZNQSLHZZME-JZQCZRQISA-N 347.484 2.524 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)COCc3ccccc3Cl)C2)cn1 116111950 JGDLTACQFIWILI-ZDUSSCGKSA-N 333.819 2.606 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)c(C)s1 315411955 RLFDJTFKJVLSDJ-CYBMUJFWSA-N 339.438 2.512 0 50 EFAA CCc1ncnc(N[C@@H]2CCC(O)=N[C@H]2c2cnn(CC)c2)c1F 328625221 KLWIKEOSPNFKMV-DOMZBBRYSA-N 332.383 2.667 0 50 EFAA C[C@@H]1C[C@H]1C(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 242346848 ZJPJKIJVVCVABG-ATZDWAIDSA-N 329.488 2.526 0 50 EFAA C[C@H]1CN(C(=O)c2cccc(OCC(=O)O)c2)CC2(CCCCC2)O1 656249167 ROPOCJRVXYPCJS-AWEZNQCLSA-N 347.411 2.714 0 50 EFAA O=C(COc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 345598499 BTFCDIJBVMUCKM-CXAGYDPISA-N 333.334 2.678 0 50 EFAA CCn1cc(C(=O)N[C@@H](C)c2cn[nH]c2)c(=O)c2cc(Cl)ccc21 351668372 WVXGZMLYQRQDMK-JTQLQIEISA-N 344.802 2.889 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H]1CCCN(C(=O)C2CC2)C1 252477404 NGCIJAMAMYYOMC-DUVNUKRYSA-N 348.393 2.586 0 50 EFAA CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@@H]1C1CC1 363385444 ZBEPDWKFYALRAG-QGZVFWFLSA-N 346.471 2.927 0 50 EFAA CCn1c(CCNC(=O)N2CCC3(CCO3)CC2)nc2ccccc21 367148366 XSBYHDIOVAYFQJ-UHFFFAOYSA-N 342.443 2.563 0 50 EFAA C[C@H](C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)n1cncn1 369285825 RRMQFNZSUONJPQ-NEPJUHHUSA-N 336.798 2.865 0 50 EFAA CCc1nn(C)c(CC)c1[C@@H]1NC2(CCCC2)C(=O)N1CC1CC1 159220130 KJMXMYZIKZZTIA-QGZVFWFLSA-N 330.476 2.698 0 50 EFAA CC(C)CCCC(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704328531 KOHOTSDHAYSWKV-FXAWDEMLSA-N 347.455 2.720 0 50 EFAA Nc1nnc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccncc3)C2)o1 912493628 GGXAWEOIUZCZEU-CQSZACIVSA-N 349.394 2.734 0 50 EFAA CCn1nc(C)c(NC(=O)[C@@H](O)c2ccc(Cl)cc2F)c1C 813463872 PDLMIEWEFKSBPX-AWEZNQCLSA-N 325.771 2.984 0 50 EFAA COCc1cnc(NC(=O)NCc2ccc3c(c2)C[C@H](C)O3)s1 931379788 VLFUDTJPNOSNSV-JTQLQIEISA-N 333.413 2.935 0 50 EFAA O=C(c1ccnc(-c2ccccc2)n1)N1CCC(c2ccncn2)CC1 1262789537 KTNNYWKNTWKBRZ-UHFFFAOYSA-N 345.406 2.953 0 50 EFAA Cc1occc(=O)c1OCC(=O)N1c2ccccc2N(C)CC[C@@H]1C 933467661 KYWWXCNYJBUXET-ZDUSSCGKSA-N 342.395 2.589 0 50 EFAA Cc1nonc1CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 845927781 HFBMQARIQCYDMM-VIFPVBQESA-N 327.306 2.687 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)C(F)(F)C[C@H]1CCCO1 2325792498 JGMXLVZRVQILGT-CVEARBPZSA-N 349.381 2.945 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1ccnc(-c2cccnc2)n1 2325875227 KPYSXUKAPXECFD-UHFFFAOYSA-N 343.350 2.576 0 50 EFAA CCOC(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC)CC2)cc1 243806604 QNZCVKIOXNHSAG-CQSZACIVSA-N 333.432 2.811 0 50 EFAA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NC1CCCCC1 145951 CKFHQXLJAYDYGM-UHFFFAOYSA-N 345.468 2.786 0 50 EFAA O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ncccn2)CC1 1052357 BNQMBNZKOLHGNG-UHFFFAOYSA-N 342.468 2.769 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)c1ccc(O)nc1C(C)C 2356169838 ITHBZALEGAGJEW-UHFFFAOYSA-N 329.400 2.861 0 50 EFAA Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1 4952855 NLHGLMRHBLZHJK-UHFFFAOYSA-N 343.452 2.996 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 6747610 ZSAIJRXUVUWOND-OAHLLOKOSA-N 338.473 2.694 0 50 EFAA Cc1ccccc1CN(CCN(C)C)C(=O)c1ncc(F)cc1F 55344423 JPRAHHDBPNJKKA-UHFFFAOYSA-N 333.382 2.872 0 50 EFAA Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)n1 110904851 ZXDCFMMVKKONEY-KRWDZBQOSA-N 338.411 2.522 0 50 EFAA Cc1ccccc1Cc1nnc(NC(=O)[C@H](C)N2CCCC2)s1 55255669 FVDPYKHVJKVMGK-ZDUSSCGKSA-N 330.457 2.860 0 50 EFAA Cn1nccc1CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225574450 OSKSUQFUUGHJKT-HOTGVXAUSA-N 339.361 2.789 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)c3cn(C)nc3-c3ccoc3)cc12 225719760 JTRTVYQASGOHIF-UHFFFAOYSA-N 336.355 2.523 0 50 EFAA CCN(CCO)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 20167910 JIJIOKAGYJYCSP-UHFFFAOYSA-N 342.374 2.680 0 50 EFAA CC(C)CCN1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO 104305212 MADGHSNUPLFXPL-MRXNPFEDSA-N 348.516 2.606 0 50 EFAA C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1nnc2ccccn12 117584849 VWAXVUBDVIDJOU-KBPBESRZSA-N 336.395 2.863 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(F)c3)cnn2c1 67724647 CZBGOJDJVIGLCV-UHFFFAOYSA-N 341.390 2.963 0 50 EFAA COc1ccc(NC(=O)NC[C@@H]2CCCN(C(C)C)C2)c(OC)c1 67805416 UPKBYTVCGLNWOG-AWEZNQCLSA-N 335.448 2.946 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 252477206 JYWYMPSTAJCLSX-JHNDHUHGSA-N 344.455 2.662 0 50 EFAA c1ccc2c(c1)OC1(CCC1)C[C@@H]2NC[C@@H]1CN2CCC[C@H]2CO1 252511403 GKABXAAOBJASMK-JZXOWHBKSA-N 328.456 2.886 0 50 EFAA Cc1cc(C)n(-c2cccc(C(=O)N(CCO)Cc3ccco3)c2)n1 65397311 MYEJVCJPRPKVCH-UHFFFAOYSA-N 339.395 2.717 0 50 EFAA CCCn1ncc(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)c1C 67641280 PFOGXSJWPQPIJC-UHFFFAOYSA-N 329.379 2.889 0 50 EFAA C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1cccc(F)c1 173113602 QUNYLMJGWRMUGT-OAHLLOKOSA-N 334.435 2.500 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@@H]1c1noc(C)n1 253394646 IZXFRKTVNUFFGP-GFCCVEGCSA-N 348.334 2.673 0 50 EFAA Cn1ncc2c1ncn1nc(-c3cc(Br)cs3)nc21 2800049 PEMWPPBLHLDGLO-UHFFFAOYSA-N 335.190 2.502 0 50 EFAA CC(=O)Nc1cccc([C@H](C)NC(=O)c2cnc([C@@H](C)O)s2)c1 253405672 OOPXVHQZGBJRJC-VHSXEESVSA-N 333.413 2.646 0 50 EFAA COc1cccc(CN2CCC[C@@H](Nc3ncccc3C(=O)O)C2)c1 72477828 KPCIKMPZZPNLPP-OAHLLOKOSA-N 341.411 2.865 0 50 EFAA COc1ccc([C@H](C)Nc2nc(C)nc3c2CCNCC3)cc1F 72428467 WHLFEKICUJVZPB-NSHDSACASA-N 330.407 2.794 0 50 EFAA CCc1ocnc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72468629 ILMVUSHPNMOITH-UHFFFAOYSA-N 343.471 2.964 0 50 EFAA Cc1ncsc1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 219238327 TVMUHIDZFPKVHL-LBPRGKRZSA-N 348.424 2.697 0 50 EFAA Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)nc1 328604853 LNACQZBZDGXBDR-WMZOPIPTSA-N 342.443 2.904 0 50 EFAA CN[C@H]1CCN(c2ccc(-c3ccc(Br)s3)nn2)C1 259276342 MUWAJWRRUAMLOD-VIFPVBQESA-N 339.262 2.766 0 50 EFAA O=C([C@H](O)C1CCCCC1)N1CCCN(Cc2cccc(F)c2)CC1 72478548 BMJCEWIVBDGGHT-LJQANCHMSA-N 348.462 2.801 0 50 EFAA C[C@@]1(O)CCN(C(=O)Cc2ccc(O)cc2)C[C@@H]1Cc1ccccc1 72143947 VPIPSVWQDBKZDQ-GHTZIAJQSA-N 339.435 2.777 0 50 EFAA CN1C[C@@H](C(=O)NC2(c3ccccc3F)CC2)c2ccccc2C1=O 376036409 XXUPINCVYNTLAH-OAHLLOKOSA-N 338.382 2.800 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2C(=O)O)cc1OC 262689583 ZUPWQGHKIHFTMP-LBPRGKRZSA-N 341.791 2.827 0 50 EFAA O=C1[C@@H](Nc2ccc(OC3CCCC3)nc2)CCN1C1CCOCC1 376526334 GZAOUIJGLURIGN-KRWDZBQOSA-N 345.443 2.595 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)OC[C@H]2CCCCO2)C12CCCC2 242273609 YEKCJQPHUXJENA-WCXIOVBPSA-N 339.476 2.815 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 219498685 OGXMRIUSHXUFNY-JJXSEGSLSA-N 335.831 2.538 0 50 EFAA CN(C)CCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 218278303 SWAYQQUFNGAJOJ-INIZCTEOSA-N 333.863 2.993 0 50 EFAA Cc1cccnc1C[C@H](C)N(C)Cc1cnc(N2CCOCC2)s1 215127394 YCRSESILZAJFIT-HNNXBMFYSA-N 346.500 2.746 0 50 EFAA COCCOc1cc(C)ccc1CNC(=O)N1CCSC[C@@H]1C 176117768 VPMZBZORGYHONX-AWEZNQCLSA-N 338.473 2.667 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCCc2ccccc2C1 178895561 CQSXBVIVNPQJBT-GOSISDBHSA-N 336.439 2.818 0 50 EFAA Cc1ccc(CC(=O)N2CC[C@H](CO)C[C@@H]2C)cc1Br 291845331 GJJKBYUIGKXTKM-JSGCOSHPSA-N 340.261 2.919 0 50 EFAA Cc1cccc(SC2CCN(C(=O)Cn3ccc(=O)cc3)CC2)c1 426420000 QROGTGHHTHZEOZ-UHFFFAOYSA-N 342.464 2.940 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1 82099156 VWXVOYKUXBJBIA-INIZCTEOSA-N 341.411 2.635 0 50 EFAA COc1ccccc1CCNC(=O)N(C)CCCc1c(C)n[nH]c1C 426684365 GKKMQZKQLYGBSA-UHFFFAOYSA-N 344.459 2.852 0 50 EFAA CC(C)(C)N1C[C@H](C(=O)NCc2cccc(OC(F)F)c2)CC1=O 91934944 TUPWMUBHILUVFG-GFCCVEGCSA-N 340.370 2.551 0 50 EFAA CCc1noc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1 295698756 XKUIQWWVFOHXST-UHFFFAOYSA-N 325.372 2.616 0 50 EFAA Cc1nnc2n1[C@@H](C)CN(C(=O)CCSCc1ccccc1)C2 96131649 NNOJRQOQIPMKRB-ZDUSSCGKSA-N 330.457 2.813 0 50 EFAA Cc1ncncc1C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1 91320850 FFHHSMGRFANFLL-UHFFFAOYSA-N 335.411 2.990 0 50 EFAA Cc1ocnc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95367191 GFNTWGPAEIMZAC-HNNXBMFYSA-N 328.416 2.999 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccc2nccnc2c1)C1CC1 97468523 WTHKVMZUUWSOBU-UHFFFAOYSA-N 335.411 2.785 0 50 EFAA Cc1nc(-c2ccc3oc(C)cc3c2)n([C@H]2CCS(=O)(=O)C2)n1 96152550 VWEDTSDRKPICDX-AWEZNQCLSA-N 331.397 2.668 0 50 EFAA O=C(Cn1ccc2ccccc21)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91645381 HMSQTGKPUXOPBM-IEBWSBKVSA-N 337.467 2.974 0 50 EFAA Cc1cc(NCc2cn3cccnc3n2)nc(-c2ccccc2O)n1 91536123 IYXPQVAANGACOT-UHFFFAOYSA-N 332.367 2.812 0 50 EFAA COc1cc2c(cc1CNC(=O)c1ccccc1-c1nc[nH]n1)CCC2 97784897 YNNQIUKTYZXLNV-UHFFFAOYSA-N 348.406 2.899 0 50 EFAA CC(C)c1nnc(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)o1 244758134 OSZGCPARFDPRED-SFHVURJKSA-N 327.384 2.803 0 50 EFAA CC(C)(C)c1cc(C(=O)NCC2(CO)COC2)cc(C(C)(C)C)c1O 182858257 QNTLPPBIEQOHCU-UHFFFAOYSA-N 349.471 2.726 0 50 EFAA O=C1CCCN1CC[C@@H]1CN(CCCn2ccnc2)c2ccccc21 183192825 WZIINRACFPEOOD-QGZVFWFLSA-N 338.455 2.890 0 50 EFAA O[C@H]1C[C@@H](c2cc(NCc3cnn(-c4cccc(F)c4)c3)ncn2)C1 252548971 QOEYFDHRWPJDIO-AKAXFMLLSA-N 339.374 2.652 0 50 EFAA CCOc1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)O)C1 299742213 ITDQHZPIWDWNLG-AWEZNQCLSA-N 335.400 2.568 0 50 EFAA CCN1CCO[C@@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 299748844 IKJXEPZZLIKZIJ-ARFHVFGLSA-N 329.400 2.708 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1 299781688 USJXQWQYYUHBIB-HNNXBMFYSA-N 342.399 2.750 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1 299797959 POFXWBKIIFLOOK-GJZGRUSLSA-N 342.892 2.656 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N[C@H](c2cccnc2)C(C)C)c1C 299794924 KZHZNNNNGYAPKN-SFHVURJKSA-N 328.416 2.611 0 50 EFAA CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@H]1CNCCO1 299757518 IQIIIKFCMWPLSO-NSHDSACASA-N 338.860 2.892 0 50 EFAA O=C(NC1CCN(c2cnccn2)CC1)c1csc2c1CCCC2 299766192 CSWPFXKZNWYGLK-UHFFFAOYSA-N 342.468 2.816 0 50 EFAA CC(C)C[C@@H](c1ncnn1C)n1cnc2cccc(Cl)c2c1=O 584890877 SNJNBUSCWBMWCF-ZDUSSCGKSA-N 331.807 2.814 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)C[C@@H](O)C(Cl)(Cl)Cl)on1 863981709 KOUBQCLIMSBEDU-WCBMZHEXSA-N 341.622 2.768 0 50 EFAA CCn1c([C@@H](C)Nc2cncc(-n3cncn3)n2)nc2ccccc21 685914069 VXUMDZNFLKDWEO-GFCCVEGCSA-N 334.387 2.600 0 50 EFAA Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(OCC(=O)O)cc2)c1 868465565 AWTRXROXVDTDKZ-KRWDZBQOSA-N 340.379 2.831 0 50 EFAA C[S@@](=O)(=NC(=O)c1cncc(-c2ccccc2)c1)C1CCNCC1 952964138 QJLANMBIIKQMSZ-DEOSSOPVSA-N 343.452 2.739 0 50 EFAA CN(C/C=C/C(=O)N1CC2(CCCCC2)C[C@@H]1CO)CC(F)(F)F 1875338019 LZDVAVSHTLXBHG-VBROQKIQSA-N 348.409 2.580 0 50 EFAA Cc1ccc([C@]23C[C@H]2CN(c2ccc(-c4ccnn4C)nn2)C3)cc1 1875395435 XMNBZHBKXJVUBL-OXJNMPFZSA-N 331.423 2.963 0 50 EFAA N[C@H](C(=O)N[C@H]1c2ccccc2OC[C@H]1F)c1ccc(F)cc1F 1875344924 PANWDELJFCETJZ-KBMXLJTQSA-N 336.313 2.553 0 50 EFAA CCOc1c(Cl)cccc1CN[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875399723 HZWVYMFKXBFOLD-IAOVAPTHSA-N 349.862 2.865 0 50 EFAA COCCN1CCC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 952869969 RGVCHDJFAMNNBL-UHFFFAOYSA-N 339.867 2.703 0 50 EFAA O=C(Cc1cccnc1)N(CCOc1ccccc1)C[C@@H]1CCCO1 952983449 FGCRZDUURXQJDG-IBGZPJMESA-N 340.423 2.711 0 50 EFAA O=S(=O)(C1[C@@H]2CCCC[C@@H]12)N1CCC(c2ccccc2CO)CC1 1775994115 URJJTJXZKMNAIH-QZTJIDSGSA-N 349.496 2.877 0 50 EFAA CN1CCC(Oc2ccc(C(=O)Nc3cnn(CCF)c3)cc2)CC1 1776000545 QOBDBKPDUYNAAQ-UHFFFAOYSA-N 346.406 2.578 0 50 EFAA O=C([C@H]1CCCO1)N1CCCN(CC2CCC(F)(F)CC2)CC1 980671625 ZAKYJGQVQMOOFU-OAHLLOKOSA-N 330.419 2.525 0 50 EFAA CCc1nc(N2CCC(Cc3nncn3C)CC2)c2ccsc2n1 1348323446 HWUNGMNGMUTCMU-UHFFFAOYSA-N 342.472 2.841 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)N1CC2(CCC2)[C@H]1c1cccnc1 898414251 KDRLWIBAYLTRFX-LJQANCHMSA-N 336.439 2.980 0 50 EFAA FC(F)(F)Oc1cccc(N2CC[C@H](NCc3csnn3)C2)c1 271839436 QNVYLJICODBMAH-JTQLQIEISA-N 344.362 2.805 0 50 EFAA Cc1noc(C[C@@H](NC(=O)[C@H](O)c2ccccc2)c2ccccc2)n1 408514700 LTPJWDQBDLSUMY-SJLPKXTDSA-N 337.379 2.512 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)sn2)cc1 408514746 JETORGXIYVBURN-CQSZACIVSA-N 347.465 2.914 0 50 EFAA O=C(N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCCCC1 278548391 ASSUQZSZEUIIMS-NSHDSACASA-N 345.365 2.830 0 50 EFAA C[C@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(C(N)=O)cc1 170956303 QPDACYFWOLFCFB-AWEZNQCLSA-N 337.423 2.733 0 50 EFAA CC(C)N1CCN(CCCN2CCC(OC3CCCC3)CC2)CC1 192728529 RVXRBTNJGBDJRA-UHFFFAOYSA-N 337.552 2.826 0 50 EFAA Cc1ccc([S@](=O)CC(=O)NCCc2ccc(C(C)C)cc2)nc1 194537517 FRMMGVBZIQROBB-XMMPIXPASA-N 344.480 2.980 0 50 EFAA O=C(O)c1ccccc1C1CCN(C(=O)Cc2cncs2)CC1 653556584 ULFNTBUZKVMJFD-UHFFFAOYSA-N 330.409 2.790 0 50 EFAA CC[C@]1(NCC(=O)Nc2ccc(C)cc2Br)CCOC1 683045154 RGACYDWSKXUAFJ-HNNXBMFYSA-N 341.249 2.855 0 50 EFAA O=C(OCc1nc(Cc2cccc(F)c2)no1)[C@H](O)c1ccccc1 782022187 HAFAQFIGDIVJHR-QGZVFWFLSA-N 342.326 2.576 0 50 EFAA Cc1ncsc1CCN(C)C(=O)c1ccccc1-c1nc[nH]n1 1506420798 BJXLXOWFMBRDDT-UHFFFAOYSA-N 327.413 2.551 0 50 EFAA CCn1cc(CN(C)[C@@H](C(=O)O)c2ccc(OC(C)C)cc2)cn1 1529098350 BCFOXMVWSVCKMU-QGZVFWFLSA-N 331.416 2.948 0 50 EFAA NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br 452650 ZEZUMFWNPSQFES-GXDHUFHOSA-N 345.196 2.705 0 50 EFAA Clc1cnn(CCN2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)c1 1772705694 ZFRHHNDDCRGDED-MJGOQNOKSA-N 344.890 2.691 0 50 EFAA CN1CC[C@@H]2CN(c3nc(-c4ccccc4)nc4c3CCC4)C[C@@H]2C1=O 1772819462 UPLGSBBQKWZXQH-WBVHZDCISA-N 348.450 2.547 0 50 EFAA O=C(c1cccnc1-c1nc2ccccc2s1)N1CCOCC1 5389353 ZRLDDVZFFNSZHJ-UHFFFAOYSA-N 325.393 2.831 0 50 EFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 11990567 BOTZKHGOKRGYLX-UHFFFAOYSA-N 343.330 2.828 0 50 EFAA O=C1C[C@@H](NCc2cccnc2)CN1CCc1cccc(Cl)c1 12307923 TWBVZJDJYSBWHC-QGZVFWFLSA-N 329.831 2.668 0 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O=C(NCCN1CCC2(CCCCC2)CC1)N1[C@H]2CC[C@H]1CC(O)C2 253425389 CWAAZKVSELMYOO-IRXDYDNUSA-N 349.519 2.730 0 50 EFAA Cc1cscc1CNC(=O)N1CCCN(c2nccs2)CC1 253433236 UIWVRNXICJYUBY-UHFFFAOYSA-N 336.486 2.935 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)N[C@H]3CCCC34CCOCC4)C2)c1 368479921 XOUBMPILIWVZKB-IRXDYDNUSA-N 346.475 2.887 0 50 EFAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@H](c2ncc[nH]2)C1 377938082 IXOUGVUWSGBGAW-NSHDSACASA-N 329.791 2.731 0 50 EFAA O=C1CCc2cc(C(=O)N[C@H]3CCOC4(CCCC4)C3)c(F)cc2N1 159604171 MQMDZYSHVMUCQP-ZDUSSCGKSA-N 346.402 2.932 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 263038289 VNJBXXNKRVZPOZ-CQSZACIVSA-N 325.792 2.506 0 50 EFAA C[C@H](OCCCNC(=O)CN1C[C@@H](C)OCC[C@H]1C)c1ccccc1 1655120594 RBZPKKMAAFLMHE-KURKYZTESA-N 348.487 2.770 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3cc(F)ccc3Cl)C[C@@H]12 1704302937 FGOUFNOMYQEJPV-IAGOWNOFSA-N 326.843 2.758 0 50 EFAA Cc1cn2c(CNC(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)c(C)nc2s1 908448445 KPKMPMOFSUDFPY-HCKVZZMMSA-N 339.848 2.558 0 50 EFAA CC(C)(C)C(=O)Nc1ccccc1C(=O)N[C@@H](CO)c1cccnc1 910978251 WWDYSQWIANLVSW-INIZCTEOSA-N 341.411 2.530 0 50 EFAA Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2C)c2ccc(F)cc2n1 2100545159 IGNSLPZARYNYET-ZDUSSCGKSA-N 327.403 2.991 0 50 EFAA CCn1cncc1S(=O)(=O)N[C@@H](C)Cc1ccc2ccccc2c1 2325747082 KSSFHVNOYOSDPO-AWEZNQCLSA-N 343.452 2.966 0 50 EFAA COC(=O)[C@@H](OC(=O)c1ccc(OC)c(F)c1N)c1cccc(C)c1 2325853386 ODXVICQVHXZMBN-INIZCTEOSA-N 347.342 2.796 0 50 EFAA Cc1nc(C)c(CCNc2cc(N3CCCC[C@H]3CO)ncn2)s1 225478645 QNKTYDVFBNAMKR-AWEZNQCLSA-N 347.488 2.556 0 50 EFAA COc1cc2nc(-c3c(OC)cccc3OC)oc(=O)c2cc1OC 52119 GOOMNIQFCMLTTD-UHFFFAOYSA-N 343.335 2.889 0 50 EFAA COc1cc(C(=O)Nc2c(C)cccc2C(=O)O)cc(OC)c1OC 237474 OWXBEKODKLQHSZ-UHFFFAOYSA-N 345.351 2.971 0 50 EFAA C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccccc1 422567 IRZAXMNIFBPSPN-GFCCVEGCSA-N 339.424 2.996 0 50 EFAA CC(C)c1ccc(-c2csc(NC(=O)c3nc(=O)n(C)[nH]3)n2)cc1 2356143949 DFICOWWZPKFOSP-UHFFFAOYSA-N 343.412 2.608 0 50 EFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccn2)CC1 4699244 CFHGPCQHBSIDDT-AWEZNQCLSA-N 345.830 2.851 0 50 EFAA CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6700848 VORXYPMYFZDVGG-UHFFFAOYSA-N 331.821 2.691 0 50 EFAA C[C@]1(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CCCC[C@@H]1O 246706701 FKYCPEWFJDRHTQ-WSTZPKSXSA-N 330.472 2.708 0 50 EFAA CCOc1c(CNC(C)(C)CO)cc(Br)cc1OC 10473845 SUYHUUZNVUGZEU-UHFFFAOYSA-N 332.238 2.717 0 50 EFAA COc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3)c2C)c1 8715124 HFCLHIXOBTYPMC-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA COc1ccc2cc(C(=O)N(C3CC3)[C@@H]3CCNC3)c(C)nc2c1 423456254 NQVIPFBPTAIPCE-OAHLLOKOSA-N 325.412 2.518 0 50 EFAA Cc1cccc([C@H](O)CNS(=O)(=O)c2ccc(Cl)s2)c1 134493343 YLFFMBHOWYXPPD-LLVKDONJSA-N 331.846 2.722 0 50 EFAA CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccccn1 55035862 ZGYLKPIWSDXLOJ-HOCLYGCPSA-N 325.437 2.793 0 50 EFAA CCC(=O)Nc1ccc(OCC(=O)N(CC)CC2CCOCC2)cc1 65385406 JQPRSAYWYGRGEI-UHFFFAOYSA-N 348.443 2.689 0 50 EFAA CCc1nc(C)c(C(=O)NCCc2nccc(-c3ccccc3)n2)o1 65507709 NKQRBEOZYLGVLB-UHFFFAOYSA-N 336.395 2.975 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1 107100336 YTKRBVFWGMHVIS-IBGZPJMESA-N 343.446 2.598 0 50 EFAA Fc1ccc([C@]2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1 65429394 KTNHBNBTNFPVEY-SFHVURJKSA-N 343.358 2.917 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1cc(-c2cccnc2)no1 65369906 XOBUXIJWZDNPLQ-ZDUSSCGKSA-N 328.416 2.616 0 50 EFAA CCC(=O)N1N=C(c2c(O)cc(C)oc2=O)C[C@@H]1c1ccccc1 170625908 CKSSCWHCMGMLHB-CQSZACIVSA-N 326.352 2.742 0 50 EFAA CCNC(=O)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851054 WPSONEZOEDVREJ-AWEZNQCLSA-N 331.243 2.893 0 50 EFAA O=C(O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 116180030 RCMPMDCOBDJAAE-NEPJUHHUSA-N 331.290 2.908 0 50 EFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 229837503 DQIDPCLHGOOAOP-OUAUKWLOSA-N 340.782 2.669 0 50 EFAA Cc1nc(O)cc(C2CCN(Cc3nc(-c4ccco4)no3)CC2)n1 65393779 YJHRBOSIYOPCTB-UHFFFAOYSA-N 341.371 2.513 0 50 EFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](c1ccccc1)C1CC1 123004967 DZYPJBCCMWCKIC-DOTOQJQBSA-N 340.427 2.569 0 50 EFAA CN(CCCC1CCCC1)C(=O)c1cc(CN2CCC[C@H](O)C2)on1 67755963 XCFZLNHQWYZSMK-INIZCTEOSA-N 349.475 2.674 0 50 EFAA CCOCCN1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71681452 AAFOJGCENNRXFN-SFHVURJKSA-N 336.451 2.921 0 50 EFAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@@H]1CCC(=O)O 237631992 UTYSCNDRCHNARX-NWDGAFQWSA-N 341.354 2.978 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC(c2cnc[nH]2)CC1 378083954 LFDJPENGQDOIJZ-LJQANCHMSA-N 338.455 2.780 0 50 EFAA CC(C)[C@@H]1CN(c2ncccn2)CCC(=O)N1Cc1ccc(F)cc1 71755100 HWNQDLTZJUPMKA-KRWDZBQOSA-N 342.418 2.879 0 50 EFAA CCOc1ccc(CNC(=O)N2CCn3c(nc(C)c3C)C2)cc1 371700354 AXOTXMWCPAXHHF-UHFFFAOYSA-N 328.416 2.624 0 50 EFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@H](Cn2cncn2)C1 375113189 ZAUBWKNZNTWJMI-HNNXBMFYSA-N 338.411 2.814 0 50 EFAA O=C(C1CCN(C2CCOCC2)CC1)N1CCC[C@H]1c1ccccn1 77517505 XIIHCCYWSVRBOX-IBGZPJMESA-N 343.471 2.636 0 50 EFAA O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1csc(O)n1 376276665 YFOFYAQPNMGXLQ-WCQYABFASA-N 340.351 2.857 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)no1 72127437 LALFCORHLDNHCB-AWEZNQCLSA-N 333.432 2.709 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 72149804 CXZCLVDHPYTAEY-INIZCTEOSA-N 347.484 2.762 0 50 EFAA CN(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccco1 219103397 OWCCRQQBXLDTFE-UHFFFAOYSA-N 330.428 2.623 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCCSCC2)CC1 496551363 PYQBRLMUYLHAIM-QGZVFWFLSA-N 344.521 2.577 0 50 EFAA O=C(Cc1ccc(C(=O)O)cc1)N[C@@H]1CCO[C@H](c2ccccc2)C1 263359925 TUDDXWGETQNHCL-MSOLQXFVSA-N 339.391 2.964 0 50 EFAA CCCC1(CNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CC1 160566062 IZSARJVGOAAECA-UHFFFAOYSA-N 331.441 2.532 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)[C@H](CN(C)C)c2ccccc2)n(C)n1 82156304 WRHOCHNGYKVABN-LJQANCHMSA-N 342.487 2.994 0 50 EFAA CCOC1CC2(CCN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C2)C1 290521148 NTJFUSHLUNKDNR-XRTORIHISA-N 344.455 2.531 0 50 EFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2csc(CN)n2)C12CCCCC2 178606906 BSNHKIHPBVGWFH-KGLIPLIRSA-N 337.489 2.802 0 50 EFAA Cc1nc2ccc(CNC(=O)CCC(=O)N3CCCCCC3)cc2[nH]1 221351538 TXXKXSFQMPCNOT-UHFFFAOYSA-N 342.443 2.670 0 50 EFAA CCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 334160372 CFXAXNUAESJSEE-RDJZCZTQSA-N 349.475 2.729 0 50 EFAA CSCc1ccc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)nc1 82098916 LBFZQJJKQLVKFH-INIZCTEOSA-N 348.560 2.797 0 50 EFAA CSC[C@@H]1CCCN(C(=O)c2ccc(C)cc2OCCCN)C1 426622905 HPDGRJKEACONNL-OAHLLOKOSA-N 336.501 2.938 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)COCc2ccccc2)CC1 91943118 VIIIDROCJPUDFW-UHFFFAOYSA-N 339.439 2.646 0 50 EFAA CCO[C@H]1CN(CC)C[C@@H]1NC(=O)c1cc2c(Cl)cccc2n1C 426504422 DONJUGAVVDQULU-YOEHRIQHSA-N 349.862 2.671 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3[C@H]4CC[C@@H]3CC(=O)N(C)C4)oc2c1 91934701 ZWSZXKYXLSTANZ-KGLIPLIRSA-N 326.396 2.885 0 50 EFAA O=C1CCCN1Cc1ccccc1Cn1cc(-c2nccs2)nn1 95388589 AMGHMIIOFOVTAY-UHFFFAOYSA-N 339.424 2.572 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1cccc(Cn2cccn2)c1 91706803 BCMRZHOXURUQBE-UHFFFAOYSA-N 338.411 2.899 0 50 EFAA Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91908306 MGDIXYGYUKFNOT-QRWLVFNGSA-N 349.446 2.703 0 50 EFAA CCc1nc(CN2C(=O)[C@@H](CC(=O)OC)Oc3ccccc32)cs1 95373064 UXAPHZJLINJVDB-CQSZACIVSA-N 346.408 2.563 0 50 EFAA Cn1cncc1CNC[C@H]1CCN(c2ccc(Br)cc2)C1 237933923 KMWNJLYVOLKQIV-CYBMUJFWSA-N 349.276 2.799 0 50 EFAA C[C@H](OCC1CC1)C(=O)N(CCC(=O)O)Cc1cccc(F)c1F 237565937 FPAOWPORWAZPLB-NSHDSACASA-N 341.354 2.583 0 50 EFAA Cc1ccc2nc(C(=O)NCc3nc(C)c4c(n3)CCCC4)cn2c1 91974000 OEYNCNNLXUZUJO-UHFFFAOYSA-N 335.411 2.550 0 50 EFAA CSc1ncc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)n1C 95387234 RADZHRHOCRAASJ-OAHLLOKOSA-N 344.484 2.539 0 50 EFAA CN(CCC(=O)Nc1cccnc1)C[C@H]1CCN(c2ccccc2)C1 244700886 JVSYCUJPDMBVON-QGZVFWFLSA-N 338.455 2.869 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1c[nH]c2ccccc12)[C@@H]1C[C@@H]31 254410747 KHLAISZHHLNBQU-OZINRZGZSA-N 331.375 2.555 0 50 EFAA CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 534669116 KVHVBJUJUFNGBP-MRXNPFEDSA-N 330.359 2.713 0 50 EFAA Cc1cccc(SC2CCN(C(=O)Cn3nc(C)cc3N)CC2)c1 299777175 ASDRCZSKBPSIAP-UHFFFAOYSA-N 344.484 2.865 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)NC[C@H]1CCCN1c1cccnn1 269028278 RSDVNWGIRSHGMG-CQSZACIVSA-N 348.809 2.597 0 50 EFAA Cc1nc(C[C@H]2NC(=O)c3ccccc32)n(CCc2ccccc2)n1 670437457 QDQUUSHEWPPMCA-GOSISDBHSA-N 332.407 2.856 0 50 EFAA O=C(Nc1c[nH]nc1-c1nccs1)N1CCC2(CCCC2=O)CC1 1875267616 AIZDEWTYRFVGES-UHFFFAOYSA-N 345.428 2.900 0 50 EFAA C[C@@](O)(c1ccc(OCc2nnc3n2CCC3)cc1)C(F)(F)F 1875281139 QVOPURVVYBMVEP-CQSZACIVSA-N 327.306 2.573 0 50 EFAA CN(C)C/C=C/C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1875375491 FKLHVZSQWRXREF-VWGXWWAPSA-N 338.455 2.543 0 50 EFAA COc1cc(CN(C(=O)CN2CCCCCC2)C2CC2)ccc1O 952981760 WHMCLUHLUBRNQD-UHFFFAOYSA-N 332.444 2.768 0 50 EFAA O=C(NCc1c(F)cccc1-n1cccn1)N1CCC[C@H]1C(F)F 1775997523 FZJBIGVOHXOUJO-AWEZNQCLSA-N 338.333 2.951 0 50 EFAA COc1ccc2ccn(CC(=O)NC3CCCCCC3)c(=O)c2c1 271306848 XNNRPOWSKRNNFV-UHFFFAOYSA-N 328.412 2.849 0 50 EFAA Cc1cccc2c1CCN(Cc1ncnn1-c1ccccc1)[C@H]2C(=O)O 1777459082 OECZRQIHMHBDFA-LJQANCHMSA-N 348.406 2.760 0 50 EFAA CCc1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cs1 1565509247 NTPDGABGSNAQJS-GJZGRUSLSA-N 332.425 2.672 0 50 EFAA Cc1ccc(F)c(C(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)c1F 1565510263 NJPDXBBDVMSCTE-KBPBESRZSA-N 325.355 2.587 0 50 EFAA O=C(N[C@@H]1CCCN(C(=O)CC2CCCCC2)CC1)c1cnccn1 964698759 IAMQOHCRZHOBSQ-MRXNPFEDSA-N 344.459 2.558 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@]12CCCO2 273496890 AAFSJQNRCQEKEN-WOSRLPQWSA-N 329.318 2.560 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cncc(-c3nncn3C)c1)CO2 186635043 JDASDUCRZNGDEU-INIZCTEOSA-N 349.394 2.609 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1cc(N2CCSCC2)ncn1 408172287 UYHWRQVCOXAOPG-ARFHVFGLSA-N 348.516 2.550 0 50 EFAA COCCCCC(=O)NOCc1ccc(F)cc1Br 170602723 IMZRYBGICQNJLT-UHFFFAOYSA-N 334.185 2.953 0 50 EFAA CC(C)Oc1ccccc1C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 408520647 PWNAQSHKPUVJCH-SFHVURJKSA-N 340.379 2.951 0 50 EFAA C[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(CC(N)=O)cc2)C1 222150995 YAJVNMWNQGZWEM-UWWQBHOKSA-N 344.455 2.520 0 50 EFAA CN1C[C@H](C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CC1=O 188984655 APSORABFARTQSN-MJGOQNOKSA-N 334.419 2.935 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)nc1 191135684 SBOVGUJSMHQJOF-ZDUSSCGKSA-N 338.285 2.683 0 50 EFAA CC1=CC[C@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@H]2C1 1074636111 UEBHLFUVWWHMND-JKSUJKDBSA-N 337.423 2.601 0 50 EFAA CCc1nnc(N[C@@H]2CCN(c3ccccc3OC)C2)nc1CC 192145448 ISKZPHKWSUECCA-CYBMUJFWSA-N 327.432 2.696 0 50 EFAA C[C@H]1CSCCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 192235179 OXULISORHOZQKS-SNVBAGLBSA-N 349.378 2.627 0 50 EFAA COc1ccc([C@H](NC(=O)NC[C@@H](C)O)c2ccc(F)cc2)cc1 192440555 MMKJINFATDHJPO-SJKOYZFVSA-N 332.375 2.604 0 50 EFAA CN(C)c1noc([C@H]2CCCN(C(=O)N(C)c3ccc(F)cc3)C2)n1 193059683 IIFHFVHWNHYMCE-LBPRGKRZSA-N 347.394 2.711 0 50 EFAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1CCc2ncccc21 770317746 JIDNKDOPFHWOFN-SFHVURJKSA-N 335.407 2.666 0 50 EFAA CC(C)Nc1ccccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704340319 ZUBLKWOXBDDXGK-VQIMIIECSA-N 339.439 2.889 0 50 EFAA Cc1ccc(S(=O)(=O)NCCn2nc(C)c(Cl)c2C)cc1C 12420479 MVFBMWYTUGHMMI-UHFFFAOYSA-N 341.864 2.749 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1C 13745271 ASVRXOFQQJDGKF-KRWDZBQOSA-N 339.439 2.815 0 50 EFAA Cc1ccc2oc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)c(C)c2c1 1857669519 HKYPFFKUWMYXRJ-IFXJQAMLSA-N 329.396 2.973 0 50 EFAA Cc1cccnc1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 230114976 KFHWQWZLWHRZCA-APWZRJJASA-N 338.455 2.710 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc4c(C)c(C)ccc4[nH]3)CCO2)o1 328608763 BETMIYSIHIYBID-INIZCTEOSA-N 340.383 2.690 0 50 EFAA CCO[C@@H]1C[C@@H](NCc2nnc([C@@H]3CCCOC3)o2)C12CCCC2 643922260 IMQTWPQPUHXGBO-RBSFLKMASA-N 335.448 2.791 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1ccccc1C(F)(F)F 245380963 XLGMWZKZFGGOOA-DUBDDPSESA-N 336.313 2.882 0 50 EFAA Cc1nc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)ccc1Br 349249997 XCOSRRKQBFLGKY-MRVWCRGKSA-N 341.249 2.519 0 50 EFAA c1ncc(N2CCOC3(CCOCC3)CC2)nc1OC1CCCCC1 372182940 XARLHZJHOHIWAP-UHFFFAOYSA-N 347.459 2.964 0 50 EFAA CN(C)CCOc1ccc(-c2noc([C@@H]3CC34CCOCC4)n2)cc1 377445660 BLXUABXSRJKWLF-INIZCTEOSA-N 343.427 2.961 0 50 EFAA Cc1c(Br)cccc1CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 830552093 KOUURQAMMCCCPZ-CHWSQXEVSA-N 348.244 2.943 0 50 EFAA C[C@@H]1COCCN(Cc2csc(-c3cccc(C(=O)O)c3)n2)C1 833631598 LQHZUEMXULTXPZ-LBPRGKRZSA-N 332.425 2.977 0 50 EFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c1 126791 FDWWHZSGUFPOAW-MRXNPFEDSA-N 330.384 2.809 0 50 EFAA O=C1O[C@H]2C[C@H](C(=O)NCc3ccc(-c4cccnc4)cc3)C[C@H]2O1 2325790045 IZYIIQDALXCZCP-OSYLJGHBSA-N 338.363 2.679 0 50 EFAA COC(=O)[C@H](OC(=O)c1sc(N(C)C)nc1C)c1cccc(C)c1 2325824828 RXJXFUCDANRITP-CYBMUJFWSA-N 348.424 2.897 0 50 EFAA O=C1Cc2cccc(NS(=O)(=O)c3cnc4sccc4c3)c2N1 2325866333 HPOHUEMXPFKBDQ-UHFFFAOYSA-N 345.405 2.592 0 50 EFAA O=C(COc1cccc(Cl)c1)NCCc1nc2ccccc2[nH]1 94143 KELPLHSXSXUGPY-UHFFFAOYSA-N 329.787 2.954 0 50 EFAA COc1ccccc1N1CCN(C(=O)COc2ccccc2C)CC1 289734 ZUFAFXJEUJWIFK-UHFFFAOYSA-N 340.423 2.731 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(=O)O)cc1 324858 OWJIRJKWNACNCI-HNNXBMFYSA-N 329.308 2.683 0 50 EFAA biogenic CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 358823 UTVGLXAPCHBVSH-UHFFFAOYSA-N 345.399 2.935 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(C)o3)C[C@@H]2C)o1 375629 GCHJCBFZMRSZMV-RYUDHWBXSA-N 330.384 2.865 0 50 EFAA COc1ccc(OC)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1 3127864 CUXCCFIGJAVROM-IBGZPJMESA-N 329.396 2.956 0 50 EFAA COc1ccccc1NC(=O)C(=O)N[C@@H](C)CCc1ccccc1 4801797 XEUISFSJBUXFSZ-AWEZNQCLSA-N 326.396 2.771 0 50 EFAA O=C1NCCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1Cc1ccccc1 20515958 QIOZBXNZKNJFFV-INIZCTEOSA-N 346.789 2.662 0 50 EFAA COc1cccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c1 55562743 YFPXBSRDCFJRTD-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA COCc1cc(=O)n2nc(-c3ccc(Br)cc3)cc2[nH]1 101151311 LKSVEVYYBJHNNO-UHFFFAOYSA-N 334.173 2.599 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65404828 FFUABAZRGDVCCE-HXUWFJFHSA-N 336.391 2.846 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccsc1 22919074 FIGVHFPHEIQLJF-QGZVFWFLSA-N 332.469 2.523 0 50 EFAA CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 10112198 JZIGUXFIABJVBY-UHFFFAOYSA-N 337.397 2.903 0 50 EFAA c1ccc2[nH]c(Cn3c(CN4CCOCC4)nc4ccccc43)nc2c1 23528702 MGZOVSXBBGCUCR-UHFFFAOYSA-N 347.422 2.793 0 50 EFAA Cc1ccc2nc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)[nH]c2c1 67881020 MWGPOCBIFSJBCJ-UHFFFAOYSA-N 346.390 2.685 0 50 EFAA Cn1cc(N2CC[C@H](N[C@H]3CCC[C@H]3Cc3ccccc3)C2=O)cn1 248891821 BAGVVZVDPVBCFU-WDSOQIARSA-N 338.455 2.526 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 249690165 JZZXEBZUAMISNL-KBAYOESNSA-N 341.455 2.588 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 348248583 STMTZQLDCKIHCB-OALUTQOASA-N 342.414 2.835 0 50 EFAA O=C(O)c1cn(CC2(CO)CCC2)cc(Oc2ccccc2)c1=O 65426720 RTSJXCFHYGAQIA-UHFFFAOYSA-N 329.352 2.501 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccc(F)cc2)C[C@@H](C)O1 229518685 ZJEIHVCZBZUXAY-JTDSTZFVSA-N 348.462 2.859 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(NC[C@@H](C)Oc3cccnc3)c12 67690882 DYYJNPSHNGQUHA-SECBINFHSA-N 344.396 2.972 0 50 EFAA CCc1nc(CCNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)sc1C 230102040 RJIQHTDMPRRBGF-CFVMTHIKSA-N 337.489 2.813 0 50 EFAA COC1(CNC(=O)c2ccc3ccc(Cl)cc3n2)CCOCC1 151673128 URDFUCYFWQAXLW-UHFFFAOYSA-N 334.803 2.814 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc([S@@](C)=O)cc1 328633444 MAAMDERZVXBNED-PQNFPLSNSA-N 347.484 2.508 0 50 EFAA CCn1ccc(C(=O)N2CCC3(CCc4ccccc43)CC2)cc1=O 215547710 XRYGYKOUNWSALL-UHFFFAOYSA-N 336.435 2.988 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)Cc1c(C)nc3ccccn13)nn2C 71711875 ULBRQXSABPTQAD-UHFFFAOYSA-N 347.422 2.697 0 50 EFAA Cc1ccc(OC2(C(=O)N(C)[C@@H](C)c3ccon3)CCNCC2)cc1 77455416 VPJHSLIHBSBMAN-HNNXBMFYSA-N 343.427 2.704 0 50 EFAA CCCn1cc(CNC(=O)c2ccc(C[C@@H]3CCCNC3)cc2)cn1 72165962 TWXRQDJCKHAOQR-KRWDZBQOSA-N 340.471 2.765 0 50 EFAA NC(=O)c1cccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)n1 253393142 UIUDCIUBAOSFBT-LBPRGKRZSA-N 341.264 2.849 0 50 EFAA O=S1(=O)CC[C@H](CN2CCC[C@@H](c3ccc(F)cc3)CC2)C1 253433160 SSQZZJXAGHYAGU-HUUCEWRRSA-N 325.449 2.830 0 50 EFAA CC(C)[C@@H]1CN(C(=O)Nc2nnc(C(C)(C)C)s2)CCCO1 331389912 AIYHEXYLPLLQSO-NSHDSACASA-N 326.466 3.114 0 50 EFAA Cc1nc(N(C)CC[C@@H](O)c2ccccc2)c2c(C)nn(C)c2n1 72479926 DLTGXSNBLGYCRR-OAHLLOKOSA-N 325.416 2.540 0 50 EFAA O=C(Nc1nc2ccccn2n1)C12CCC(C(F)(F)F)(CC1)CC2 365646938 UZWCVLUDEXIOBG-UHFFFAOYSA-N 338.333 3.571 0 50 EFAA CC(=O)[C@@H]1C[C@H](C(=O)OCCN2C(=O)NCc3ccccc32)C1(C)C 158913047 CYRPQYGBFIOYKL-LSDHHAIUSA-N 344.411 2.511 0 50 EFAA Cc1cc(C)n([C@@H](C)Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)n1 333695017 JPJDDHLAXBBMJG-ARFHVFGLSA-N 345.447 2.612 0 50 EFAA Cc1ccc(-c2noc(CCCN3CCC[C@H]3C(=O)O)n2)cc1F 237818647 ONXZDUDXQBZKGD-AWEZNQCLSA-N 333.363 2.666 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)c1nccc(CCC(F)(F)F)n1 71498556 KWRJLCLNYSISMS-UHFFFAOYSA-N 325.338 2.820 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 238096229 HELZUUFKYZHKCJ-AWEZNQCLSA-N 343.354 2.951 0 50 EFAA O=C1[C@@H]2COCCN2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 373145170 KBEJGXZDHFWURI-JTQLQIEISA-N 334.681 2.526 0 50 EFAA COCCC1(CNC(=O)Nc2cccc(-n3ccnn3)c2)CCC1 130067046 IHWBRJVHZWJODX-UHFFFAOYSA-N 329.404 2.596 0 50 EFAA Cn1cccc(NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1=O 374521394 NYHCODCOMNFYJK-AWEZNQCLSA-N 345.374 2.600 0 50 EFAA Cc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77407221 JAGBJGLPCRCWNJ-LJQANCHMSA-N 347.459 2.874 0 50 EFAA NC(=O)c1cc(NC(=O)c2ccc(-c3ncon3)cc2)ccc1Cl 337255462 SURDUYQTJHJFAY-UHFFFAOYSA-N 342.742 2.741 0 50 EFAA C[C@H]1C[C@H](NC(=O)c2cc(N(C)C)nc3ccccc23)c2nccn21 456414214 IPGKJYYJMOGWHD-LRDDRELGSA-N 335.411 2.933 0 50 EFAA COc1ccc(-c2nnsc2C(=O)Nc2ccc(OC)nc2)cc1 44891770 FSBMDVBTMCORJJ-UHFFFAOYSA-N 342.380 2.870 0 50 EFAA NC(=O)c1csc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 77376868 NXXBWDFZOLCKLW-JTQLQIEISA-N 327.413 2.502 0 50 EFAA Cc1nc([C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc(=O)[nH]1 72147954 CTELFHDDYIBAEC-OAHLLOKOSA-N 349.438 2.710 0 50 EFAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 339203141 JTQJJDMHKDSJLD-ARFHVFGLSA-N 336.476 2.584 0 50 EFAA Cc1noc([C@H]2CCCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 223863731 HGOOUBUMJBXLQD-OAHLLOKOSA-N 339.399 2.941 0 50 EFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(=O)cc(C)o1 223121229 HEECBDFXWPOHRX-OAHLLOKOSA-N 343.379 2.989 0 50 EFAA Fc1ccc(OCc2nnc(S)n2C[C@H]2CCCO2)c(F)c1 17066975 VLHDHWKYQFBODL-SNVBAGLBSA-N 327.356 2.603 0 50 EFAA CCc1cc(N2CCC[C@@H](Nc3nccnc3C(F)F)C2)ncn1 288284425 BILPBNNEMPFPKR-GFCCVEGCSA-N 334.374 2.848 0 50 EFAA O=C(O)c1cccc(NCc2cccc(CN3CCCC3=O)c2)n1 263470001 DKLBASRECOWMDK-UHFFFAOYSA-N 325.368 2.514 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)c1 222637090 HOTWLDRLBBKLAJ-XMTFNYHQSA-N 345.487 2.615 0 50 EFAA CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cccc(N)c1 178524131 OKGXPRBNTVGQAT-UHFFFAOYSA-N 325.412 2.633 0 50 EFAA O=C(CCCc1cccs1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 222515651 VSBHGIVAYNFXJI-SFHVURJKSA-N 345.468 2.753 0 50 EFAA O=C(c1cnn2ccccc12)N1CCC(OCc2cccnc2)CC1 82147727 AGBZVOCRBCHYAJ-UHFFFAOYSA-N 336.395 2.551 0 50 EFAA CCn1nc(CO)c2c1CCN(C(=O)NCCC1CCCCCC1)C2 426597409 MOYCUPBVWDYWNI-UHFFFAOYSA-N 348.491 2.824 0 50 EFAA Cc1noc2ncnc(N[C@H]3CC(=O)N(c4ccccc4Cl)C3)c12 95356052 NEVDMCOARDWAGG-JTQLQIEISA-N 343.774 2.797 0 50 EFAA CCc1noc([C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)n1 91547522 AQBUVMLIALLKMR-AWEZNQCLSA-N 329.400 2.589 0 50 EFAA CCCCn1ccnc1C1CCN(c2ncccc2C(N)=O)CC1 91893689 CZMGWHRKYBJBQO-UHFFFAOYSA-N 327.432 2.561 0 50 EFAA CC(C)n1cnnc1CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95387261 XYBABNKPQJBROS-INIZCTEOSA-N 328.416 2.937 0 50 EFAA CCCn1cc(CNC(=O)c2c[nH]nc2-c2cccc(OC)c2)cn1 91779577 DPBSTGCRBXXULF-UHFFFAOYSA-N 339.399 2.622 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@H](c2ccccc2F)N(C)C)on1 95352448 NWKNKTJRMSKLTA-KRWDZBQOSA-N 333.407 2.931 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1Cl 293763649 VESGSVDBDISDBW-ZIAGYGMSSA-N 329.849 2.734 0 50 EFAA OCc1csc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 96165742 QXOBVJSZPUVROG-LBPRGKRZSA-N 328.441 2.971 0 50 EFAA Cc1nc(CC2CCN(C[C@H]3CC(c4ccccc4)=NO3)CC2)no1 243902093 BFVGMAXTSVNMGV-QGZVFWFLSA-N 340.427 2.826 0 50 EFAA CN1CCC(N(C)C(=O)NCCCSCc2ccco2)CC1 534658194 LUUDAFPMQHAERK-UHFFFAOYSA-N 325.478 2.639 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)c1nnc3n1CCCC3)CC(C)(C)O2 534640852 ZZSGXPIJSKSCLX-CQSZACIVSA-N 340.427 2.955 0 50 EFAA CC(C)[C@H](C(=O)Nc1ccc2nc(O)c(O)nc2c1)n1cccc1 263588218 QMGVNDQFZBAMQX-CQSZACIVSA-N 326.356 2.678 0 50 EFAA CC(C)(C)c1ccc2oc(CNC(=O)COC[C@H]3CCCO3)nc2c1 299792009 CQNOVENJVHHDGD-CQSZACIVSA-N 346.427 2.937 0 50 EFAA CCc1nc(C)c(C(=O)NCCc2nc3ccccc3n2CC)o1 293361107 OHBMZHVXFHXMRE-UHFFFAOYSA-N 326.400 2.888 0 50 EFAA CCCSCCNC(=O)c1cccc(-c2cc(C)nc(N)n2)c1 299763945 HQSYJSYOFFWBFG-UHFFFAOYSA-N 330.457 2.907 0 50 EFAA Cc1[nH]c2c(c1C(=O)N1CCC[C@@H](c3cc[nH]n3)C1)C(=O)CCC2 299794891 JXTPXVBDRSLTRT-GFCCVEGCSA-N 326.400 2.585 0 50 EFAA COCc1c(C(=O)O)cnn1-c1nccc(-c2cc(C)sc2C)n1 299797273 MYFBSBYNDPJOIE-UHFFFAOYSA-N 344.396 2.852 0 50 EFAA O=C(CCN1CCCCCC1=O)NCCSCc1ccccc1 827819934 HNHHBNRPJZVVIK-UHFFFAOYSA-N 334.485 2.829 0 50 EFAA Cc1ccccc1OCCc1nc(Cc2cccs2)nn1CCO 828776908 LPJOHJBNOXRLLB-UHFFFAOYSA-N 343.452 2.853 0 50 EFAA CC(C)COCCCNC(=O)Nc1ccc(-n2ccc(O)n2)cc1 864058657 VQHLQLYRUMJTKX-UHFFFAOYSA-N 332.404 2.762 0 50 EFAA Cc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1C(N)=O 165463859 CFCGQLSDFTVXKM-SFHVURJKSA-N 337.423 2.870 0 50 EFAA COc1cccc2c1C[C@@H](NC(=O)c1cnc3c(c1)C(=O)CCC3)C2 1875271687 IYXXJFAVCWGEGE-AWEZNQCLSA-N 336.391 2.506 0 50 EFAA Cc1nc(=N[C@@H]2CCCc3c2cnn3C2CCCC2)nc2[nH][nH]cc1-2 1875295387 WKSXPOZTGBKWTA-OAHLLOKOSA-N 337.431 2.836 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NCc2ccc([C@H](C)O)c(C)n2)[nH]1 1875257712 HEEGVGRTLKKSTE-ZDUSSCGKSA-N 335.411 2.638 0 50 EFAA COC(=O)CCc1csc(NC(=O)[C@H]2CCC[C@H]2SC)n1 1875262155 WQAZGZWOHVIMBV-WDEREUQCSA-N 328.459 2.719 0 50 EFAA CN1CCC[C@@]12CCN(Cc1ccc(OCC(F)(F)F)nc1)C2 952884165 UWOGZPCEERSZKN-HNNXBMFYSA-N 329.366 2.693 0 50 EFAA CCc1cc(CCCn2nc(C)c([C@@H]3COCCN3C)c2C)on1 952894379 NYPXSMRYTBYHLK-KRWDZBQOSA-N 332.448 2.686 0 50 EFAA CN(C)Cc1cc(CN2CC(C)(C)[C@@H]2c2nccn2CC2CC2)no1 952891127 ARBORMFWWFOZEQ-KRWDZBQOSA-N 343.475 2.926 0 50 EFAA CCc1ccc(OC)c(S(=O)(=O)Oc2ccccc2NC(C)=O)c1 1875318510 PYHSEWJZFCMCDZ-UHFFFAOYSA-N 349.408 2.984 0 50 EFAA CO[C@@H](c1noc(CCc2ccc(O)nc2)n1)c1ccccc1C 1875320045 DQLZXDCBUPDGPP-QGZVFWFLSA-N 325.368 3.000 0 50 EFAA CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(CN)cc2)c1 952986217 YVJSJELKZDPVQK-UHFFFAOYSA-N 325.412 2.783 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 1775994928 TVRXCABIXMPOBV-STQMWFEESA-N 349.362 2.919 0 50 EFAA O=C(C[C@@H]1CC=CCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 898820065 KUHRLAONPIEBJZ-CQSZACIVSA-N 349.456 2.551 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)nc1 274821577 XORIUVSCQNMUOO-USWWRNFRSA-N 342.317 2.958 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)Nc2ccsc2)nn1 276327656 QHHPWTUSWANJBQ-QWHCGFSZSA-N 349.460 2.872 0 50 EFAA CC(C)(C)c1ccc([C@@H](O)CNc2ncccc2S(C)(=O)=O)cc1 302735017 OJNQPPHHRKIEPS-HNNXBMFYSA-N 348.468 2.928 0 50 EFAA CCOC[C@@H]1CCN(C(=O)[C@@H]2CCCN(CCc3ccccc3)C2)C1 408517973 QPUBZPPUAJOVGG-WOJBJXKFSA-N 344.499 2.826 0 50 EFAA O=C(c1ncccc1Br)N1CCO[C@H]2CCCC[C@H]21 194891609 BPGNRBNNNOLUJI-NEPJUHHUSA-N 325.206 2.628 0 50 EFAA Cn1nccc1[C@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1 653499403 KPCUZGIBJIIKRC-INIZCTEOSA-N 336.439 2.652 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)N[C@@H]3C[C@@H]4OCCC[C@H]43)c12 195573895 NIPHURREBCJPFI-LXZKKBNFSA-N 343.427 2.586 0 50 EFAA CC1=CC2(CCN(C[C@H]3Cc4c(C)nc(C)nc4O3)CC2)OCC1 1704299023 MXOXSRKBBIUCJV-MRXNPFEDSA-N 329.444 2.598 0 50 EFAA O[C@@H]1CN(CCCOCc2ccccc2)C[C@H]1Cc1ccccn1 1704297262 YRICLYULGKOVLE-UYAOXDASSA-N 326.440 2.524 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(CC(=O)NCc1ccccc1C)C2 1772703562 MNYKURLYMQECGI-UYAOXDASSA-N 330.472 2.892 0 50 EFAA O=C(O)COc1ccccc1-c1nccn1Cc1cccn2nccc12 1772805174 HEOLRSMPIFBKAY-UHFFFAOYSA-N 348.362 2.710 0 50 EFAA c1ccc([C@@H]2OC[C@H]3O[C@@H]4O[C@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 5666442 IHXGBIRUYZZCIT-RWLNFDPSSA-N 326.348 2.940 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1c[nH]cn1 11819992 HNGAVGMXAASTAB-UHFFFAOYSA-N 330.294 2.805 0 50 EFAA C/C=C(\C)CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 12279586 NDXBCYGUCUZLDV-CRKCGEKBSA-N 331.464 2.507 0 50 EFAA O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCN(c2nccs2)CC1 225394487 SFFUGTWEENGDPK-RYUDHWBXSA-N 349.406 2.874 0 50 EFAA COCc1csc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 115242855 XECRLTBMPLVDAB-NSHDSACASA-N 339.461 2.513 0 50 EFAA CCOc1cc(C=O)cc(I)c1OC(=O)CC 4826944 QHNVCJYWIVKBIW-UHFFFAOYSA-N 348.136 2.818 0 50 EFAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCCO1 7616248 ATTZEZLWYOPGLN-AWEZNQCLSA-N 341.473 2.974 0 50 EFAA Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cnn1C(C)C 331656349 SKQQHCJSISWEAE-NVXWUHKLSA-N 331.391 2.860 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)c(Cl)cc1F 237672000 YBQSXRFCGCWLFA-UHFFFAOYSA-N 343.782 2.883 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)n1 653329420 WCPSZNMLUHEFGG-XYPHTWIQSA-N 341.411 2.880 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ncc(Cl)cc1Cl 336910444 HTAXWWXZRBKXAL-BYCMXARLSA-N 331.243 2.750 0 50 EFAA Cc1cc(C)n(-c2ccccc2CNC(=O)CC[C@@H]2CCOC2)n1 155299638 WKONCZDPIKCCCA-MRXNPFEDSA-N 327.428 2.922 0 50 EFAA COc1ccc(CC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1 367721670 RAENORVTWKHPQC-QUCCMNQESA-N 339.435 2.862 0 50 EFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 266444224 WCKKECSKJOUKPA-USXIJHARSA-N 346.471 2.652 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cn4cccnc4n3)cc2)n1 918010739 SGSANEKUJBVTFD-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CC1(C)CCCC[C@@H]1NCc1cn(CC(F)(F)F)c(=O)nc1O 903237670 MMHWNESIZATZDV-NSHDSACASA-N 333.354 2.570 0 50 EFAA CCO[C@H](C(=O)N[C@H](C(=O)O)c1cccc2ccccc12)C1CC1 910936640 OMXCMAWDQZUECS-IRXDYDNUSA-N 327.380 2.897 0 50 EFAA O=C(N[C@H]1C[C@@H](N2CCCC2)C1)c1cccc2nc(C(F)F)[nH]c12 823648116 URJVKVIHZDQBCH-PHIMTYICSA-N 334.370 2.857 0 50 EFAA Cc1cnccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 938143818 ANQOIUBOIOUUOH-RDJZCZTQSA-N 343.471 2.937 0 50 EFAA Cc1cnn(C2CCN(C(=O)[C@@H](c3ccccc3)n3cccn3)CC2)c1 2325727865 GINZDPUYTVMWQA-LJQANCHMSA-N 349.438 2.841 0 50 EFAA CC(C)CO[C@H](C)c1noc(CN2C[C@H]3[C@@H]4CCCCN4C[C@H]3C2)n1 245312455 JIPDLDSRKJOMDY-VQHPVUNQSA-N 348.491 2.719 0 50 EFAA CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 380040 POVIOYGIEHWJIE-UHFFFAOYSA-N 335.381 2.657 0 50 EFAA O=CN[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 442716 UIIFYOGJLZRDHE-QMMMGPOBSA-N 344.626 2.554 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2O)cc1OC 457170 SXJHAGKKPZRYRA-UHFFFAOYSA-N 346.408 2.845 0 50 EFAA Brc1ccc(-c2nnc3ccc(-n4cccn4)nn23)cc1 1170320 RCPOVHFHSBUMRH-UHFFFAOYSA-N 341.172 2.740 0 50 EFAA O=C(COC[C@H]1CCCO1)Nc1n[nH]c2cc(C(F)(F)F)ccc12 2356135269 WSOUNPPZWYKKQX-SNVBAGLBSA-N 343.305 2.716 0 50 EFAA O[C@H]1CN(Cc2nc3ccccc3s2)CC[C@]1(O)c1ccccc1 2356142055 BMSJLKGHOOUPFN-HKUYNNGSSA-N 340.448 2.751 0 50 EFAA COc1cc(-c2o[nH]c(=N[C@H]3CCSC3)c2C(=O)O)ccc1F 2356146485 IDAQZSLDKZJZKL-VIFPVBQESA-N 338.360 2.527 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cccc(O)c2C)C1=O 2356147334 RUBIYBPSRFHDBP-IBGZPJMESA-N 330.428 2.708 0 50 EFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2c(F)cccc2F)C1=O 2356168495 GMCVVNRQKYANKK-GOSISDBHSA-N 336.382 2.970 0 50 EFAA CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccccc1 6703212 VVPADIPRARASFX-UHFFFAOYSA-N 332.425 2.969 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 7149835 IHAPQTSCBXAGHG-UHFFFAOYSA-N 332.350 2.936 0 50 EFAA O=C(NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1ccc(-c2nnc(S)o2)cc1 225462331 YZODDNNXQAXDOF-CYDGBPFRSA-N 327.409 2.800 0 50 EFAA CCCC[C@@H](O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 225726555 WPGQDVHKXBJYJG-CYBMUJFWSA-N 346.258 2.588 0 50 EFAA O=C(NCCNC(=O)c1ccc(F)cc1)NCCC1=CCCCC1 56823507 HNPNRDAPKZPGBS-UHFFFAOYSA-N 333.407 2.745 0 50 EFAA O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1Oc1ccccc1 112663001 HMBKRUATIOZQHV-CQSZACIVSA-N 334.379 2.815 0 50 EFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc2ccccc2c(=O)[nH]1 115404011 CDMUYWWCSBKYOJ-MRXNPFEDSA-N 347.418 2.927 0 50 EFAA Cc1cc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)[nH]n1 22501631 MKFHPFCPBFVTBN-UHFFFAOYSA-N 325.401 2.617 0 50 EFAA CC[C@H](NCC(=O)Nc1nc(C(C)(C)C)cs1)c1ccnn1C 65394235 QVZRDRWDRSONIN-NSHDSACASA-N 335.477 2.854 0 50 EFAA C[C@H]1CCN(CCOc2ccc(NC(=O)[C@H](C)n3cccn3)cc2)C1 110647771 XGSWOUTZOZZLSF-HOTGVXAUSA-N 342.443 2.803 0 50 EFAA Cc1ccc(-n2nc(C3CC3)nc2CN2CC[C@@H](N(C)C)C2)cc1C 65431742 PZPZGRGFOWINSC-GOSISDBHSA-N 339.487 2.897 0 50 EFAA Clc1cc2c(cc1Cc1nc(-c3cccnc3)n[nH]1)OCCO2 65386265 WWYDDOWUMOFBJN-UHFFFAOYSA-N 328.759 2.882 0 50 EFAA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2 219355059 HQNRUSLWPZISST-LLVKDONJSA-N 349.818 2.724 0 50 EFAA Cc1c(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cnn1-c1ccncc1 252486556 LKZMLBXYHFVFCM-USXIJHARSA-N 341.411 2.936 0 50 EFAA C[C@H]1CCCCN1C[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 252486074 DPFUMKZJGLTWBJ-LSDHHAIUSA-N 340.475 2.698 0 50 EFAA CO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)cs1 252513335 YLVHNNAXXXGWNN-OJLVUWQFSA-N 349.500 2.541 0 50 EFAA CC(C)S(=O)(=O)N1CC[C@@H](NCc2cccc(Cl)c2)[C@@H](C)C1 229309846 UJLLRHKFBQLOHR-XJKSGUPXSA-N 344.908 2.878 0 50 EFAA C[C@@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1ccccc1 67757892 BZOHXBCKCWVHOR-PKOBYXMFSA-N 345.464 2.691 0 50 EFAA Cc1cc(C)n2nc(SCC(=O)OCc3ccccc3)nc2n1 6668708 FXNJKSQPYUPVTE-UHFFFAOYSA-N 328.397 2.577 0 50 EFAA COC(=O)c1ccc2c(c1)nc(N1CCC3(CCCO3)CC1)n2C 72164177 UXGUEBYADPNIPV-UHFFFAOYSA-N 329.400 2.509 0 50 EFAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 328855843 XTUOEVJRXILVCY-BFYDXBDKSA-N 328.412 2.589 0 50 EFAA O=C(CSc1nnc(S)s1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 153959196 MASNKHPOKHAFSJ-WCFLWFBJSA-N 349.506 2.764 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3csc(C)c3)CC2=O)c1 77535078 JQCDEZMDXZQDKH-UHFFFAOYSA-N 344.436 2.550 0 50 EFAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(C(=O)O)o1 364929038 JHUQYKWYPLEGNP-WQGACYEGSA-N 329.352 2.969 0 50 EFAA O=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@@H]1CCc2c[nH]nc2C1 367497231 UWSHYOPKQDMTMH-MRXNPFEDSA-N 342.418 2.728 0 50 EFAA CCOCCN1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@@H]1C 371732373 LZFKMSNLUSFCLY-ZLPCBKJTSA-N 348.462 2.889 0 50 EFAA CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCNC1 157258471 QQGYZQALZVRKTL-JTQLQIEISA-N 329.213 2.546 0 50 EFAA COCc1nc(N(C)Cc2cccc3ncccc23)c2cnn(C)c2n1 72147317 OKNSESPHMJCAOS-UHFFFAOYSA-N 348.410 2.694 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(F)c1 72468121 DMVZZICXEIQXLT-SFHVURJKSA-N 347.478 2.638 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 125970806 FIJKNEGJELEQFI-SCOAYWHSSA-N 333.395 2.740 0 50 EFAA O=C(Cc1csc(-n2cccc2)n1)NCc1ccc2c(c1)OCO2 30819516 PEDCVSKVNGSRKX-UHFFFAOYSA-N 341.392 2.521 0 50 EFAA CN1C[C@]2(CCCN(Cc3cc(-c4ccccn4)no3)CC2)OC1=O 72163407 TYQBYGNLXQTDGA-GOSISDBHSA-N 342.399 2.543 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@H]3CCN3Cc3ccccc3)cn12 242106223 WHYATDYFTVPIIW-GOSISDBHSA-N 334.423 2.533 0 50 EFAA Cc1nnc(N[C@@H]2COCC[C@H]2Oc2ccccn2)c2ccccc12 220416757 GWDFCTJUHSQMHM-IAGOWNOFSA-N 336.395 2.982 0 50 EFAA C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)[C@H]1C 178595573 JXZBFCKXOHHBDJ-RYUDHWBXSA-N 344.864 2.554 0 50 EFAA COc1ccccc1C1CCN(C(=O)c2cc(=O)cc(C)o2)CC1 223680460 XNGYFRRRVWECNP-UHFFFAOYSA-N 327.380 2.977 0 50 EFAA CCSCCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82156046 KEEXVINTNMNFAS-UHFFFAOYSA-N 338.521 2.504 0 50 EFAA CCNC(=O)c1cccc(C)c1OCc1nnc(C2CCC2)n1C 181446798 BWAPXGFPSQUKOE-UHFFFAOYSA-N 328.416 2.720 0 50 EFAA O=C(O)[C@@]1(CC2CC2)CCCN(Cc2ccc3c(c2)OCCO3)C1 91656598 NECSRMQOSHSLBE-LJQANCHMSA-N 331.412 2.925 0 50 EFAA COCc1cc(N2CCN(c3cc(Cl)ccc3C)CC2)ncn1 91547672 JXWGZUYBAJFLJE-UHFFFAOYSA-N 332.835 2.911 0 50 EFAA CCn1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)n1 293154033 WEYMKWAKDPPXEX-HNNXBMFYSA-N 328.416 2.599 0 50 EFAA CCCc1cncnc1N1CCC(NCc2ccc(O)cc2)CC1 96130339 WUSPSTDJQJFWQJ-UHFFFAOYSA-N 326.444 2.893 0 50 EFAA OCCC1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 97528966 ZOBZCBZBEKKTQH-UHFFFAOYSA-N 325.412 2.559 0 50 EFAA CCOC1(C)CCN(C(=O)[C@H](C)n2ccc3ccccc3c2=O)CC1 293932462 HLNGFCYYRYETTA-HNNXBMFYSA-N 342.439 2.980 0 50 EFAA Nc1nnc(CCn2cc(-c3cccc(Cl)c3Cl)nn2)s1 91503885 MZDQIFPKKLZUIM-UHFFFAOYSA-N 341.227 2.928 0 50 EFAA CC(C)=CCCN1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 95361281 HXWASYKWLXCGOC-KRWDZBQOSA-N 342.491 2.904 0 50 EFAA 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O=C(CC1=CCCCC1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12704791 CEMVIIGSGHDRQD-GOSISDBHSA-N 338.451 2.761 0 50 EFAA CCOc1cc(CNC)ccc1Oc1nnnn1-c1ccccc1 13717715 KIVPSIBIRNFMBT-UHFFFAOYSA-N 325.372 2.573 0 50 EFAA CC1(C)C[C@H](NCCCS(=O)(=O)c2ccccc2)C(C)(C)O1 158688115 WXQSGFNNOAQITF-HNNXBMFYSA-N 325.474 2.786 0 50 EFAA CC(C)(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 305245439 SRGMOTQXHVVPNZ-AEFFLSMTSA-N 348.462 2.800 0 50 EFAA O=C(CC1CC1)NC[C@H](CO)Cc1cc(F)cc(Br)c1 408520022 MDKCOTWLMJJEKI-GFCCVEGCSA-N 344.224 2.656 0 50 EFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(C(F)(F)F)cn1 325937897 APVXDLSYPGLCPR-CYBMUJFWSA-N 338.285 2.526 0 50 EFAA C[C@@H](NC(=O)c1ccc(C(=O)O)o1)c1cccc(-n2cccn2)c1 237521840 APROAKOEVCHTFG-LLVKDONJSA-N 325.324 2.655 0 50 EFAA O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(O)c(Cl)c1 357380763 VBKRXWXVCJCOLM-AWEZNQCLSA-N 332.743 2.774 0 50 EFAA Nc1ccnc(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 153543432 IJQJXDJNVHKZSQ-UHFFFAOYSA-N 330.697 2.661 0 50 EFAA Cc1cc(C)c(CC(=O)NC[C@H]2CCCN2c2cccnn2)c(C)c1 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2.696 0 50 EFAA COc1cc(S(=O)(=O)NCc2cccs2)c(OC)cc1C 6701234 XVQLGDVEIRMFCB-UHFFFAOYSA-N 327.427 2.552 0 50 EFAA CC(C)C[C@@H](NC(=O)N1CCc2ccccc21)C(=O)Nc1cc[nH]n1 225547424 VIMSXAZUIWHJKU-CQSZACIVSA-N 341.415 2.535 0 50 EFAA O=C(CCC(=O)NC1CCCCCCC1)NC[C@@H](O)c1ccccc1 55134061 RMENIQWLHDNECZ-GOSISDBHSA-N 346.471 2.846 0 50 EFAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)C1 9341113 ZTFBVKUEFFTCOE-AWEZNQCLSA-N 332.419 2.936 0 50 EFAA CONC(=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 134758248 YAULVSXWACUSRU-UHFFFAOYSA-N 328.412 2.771 0 50 EFAA Cc1n[nH]c(SCC(=O)N2CCC[C@H]2CCc2ccccc2)n1 55199042 AYXQFLLVQAQZIB-HNNXBMFYSA-N 330.457 2.829 0 50 EFAA Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 101464597 MNWYTYBQSWLDTA-LBTBCDHLSA-N 340.423 2.663 0 50 EFAA CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCOCC1 67934576 JCXYSWFWRXHYEG-UHFFFAOYSA-N 346.427 2.546 0 50 EFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 347433702 HZJQEXNAQSEWIX-ZDUSSCGKSA-N 343.431 2.837 0 50 EFAA NC(=O)c1cncc(Oc2ccc(CN3CCCC3)cc2Cl)n1 67855521 RDCNDMYASRKQNW-UHFFFAOYSA-N 332.791 2.617 0 50 EFAA O=C(Nc1cncnc1N1CCCC1)C1=NO[C@H](c2ccccc2)C1 137332421 SQJVXUUSTCKPAW-INIZCTEOSA-N 337.383 2.533 0 50 EFAA CCOC(=O)[C@@H]1CCCN(Cc2coc3ccc(C)cc3c2=O)C1 23281955 BQWPTFZOERAVTQ-CQSZACIVSA-N 329.396 2.877 0 50 EFAA Cc1cc(S(=O)(=O)NCCc2ccc(CO)cc2)sc1Cl 252480135 BWMIIJPCYREORW-UHFFFAOYSA-N 345.873 2.723 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCN4CCCC[C@@H]34)c12 229386233 JTXPLRFMHJISNN-HOCLYGCPSA-N 340.427 2.765 0 50 EFAA COc1ccc2c(c1)C[C@@H](c1nc(CC3CCN(C)CC3)no1)CO2 67947663 OUTCDOAHSOSGLO-OAHLLOKOSA-N 343.427 2.681 0 50 EFAA Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cn1 12093547 NDMWZLKZJLVEAZ-QGZVFWFLSA-N 330.407 2.595 0 50 EFAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC(n2ccnc2)CC1 151482818 AAXZAMVBOMBSND-LBPRGKRZSA-N 331.420 2.638 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253416850 BYSWRLIODVSMNJ-FKGLVLAHSA-N 343.345 2.765 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(c2ncc(C(F)(F)F)s2)CC1 253423926 ONXNFMJRAPMVJG-NSHDSACASA-N 346.378 2.845 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)s1 39364529 WWPBZVPUPAYBSB-MRXNPFEDSA-N 349.475 2.659 0 50 EFAA CCn1ccc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cc1=O 72457874 UBGRVCPVQFJYSE-UHFFFAOYSA-N 337.379 2.795 0 50 EFAA Cc1cccnc1CN1CCN(c2nc(-c3ccccc3)no2)CC1 77358079 ZIVBPHHCLWBPHJ-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)no1 369679612 DNRIWOHNPDJKNT-LBPRGKRZSA-N 342.359 3.120 0 50 EFAA O=C(c1cncnc1-c1ccccc1)N1CCC[C@@H](N2CCCC2)C1 378486460 UPSAASKOOKVDLD-QGZVFWFLSA-N 336.439 2.844 0 50 EFAA Cc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc1 36385704 WXVRNAPILHWBAN-OAQYLSRUSA-N 339.483 2.767 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCC([C@H](C)N2CCOCC2)CC1 72478591 QOLHYIRQYRVLHO-INIZCTEOSA-N 346.471 2.577 0 50 EFAA O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H]1C[C@H]1C(=O)O 262457907 XLTRZTQJAVLGHR-VMPBMTGNSA-N 349.452 2.927 0 50 EFAA COc1cc(NC(=O)c2ccnc(OC3CCC3)c2)ccc1C(=O)O 263065612 XQKWKMFACDBGCH-UHFFFAOYSA-N 342.351 2.972 0 50 EFAA COC[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC(C)(C)O1 284896533 AZUDKWJFRMVSIU-AWEZNQCLSA-N 334.391 2.502 0 50 EFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1 237437153 CVNPSOAQVCOLSG-GDBMZVCRSA-N 330.453 2.854 0 50 EFAA COc1ccccc1CN(C(=O)c1cccc(C(=O)O)n1)C1CC1 262612572 LLNFCRNSJYGZGC-UHFFFAOYSA-N 326.352 2.593 0 50 EFAA O=C([C@@H]1CCCC(F)(F)C1)N1CCCC[C@H]1CN1CCOCC1 242164685 WXAAXKONYREQEX-CABCVRRESA-N 330.419 2.525 0 50 EFAA Cc1nc(CCNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)sc1C 215533915 DCKNBLHPFUHFAH-UHFFFAOYSA-N 345.399 2.713 0 50 EFAA O=C1CC[C@]2(CCCN(C(=O)c3ccccc3O)C2)CN1CC1CC1 77387584 GGVZBLYXYGMHIB-FQEVSTJZSA-N 342.439 2.647 0 50 EFAA COc1ccc2nc(Cn3cnc4cc(F)c(F)cc4c3=O)[nH]c2c1 43131439 IFJPVCYCZXFLHC-UHFFFAOYSA-N 342.305 2.608 0 50 EFAA CC[C@H](NC(=O)c1ccc2c(c1)CCCO2)c1cn2cccnc2n1 426715840 HXWUCJPAEYOREQ-HNNXBMFYSA-N 336.395 2.935 0 50 EFAA CCC(=O)c1cccc(-c2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 426495580 IDEYUVKDWDQQRQ-UHFFFAOYSA-N 336.391 2.518 0 50 EFAA O=C(c1noc2c1CCCC2)N1CCN(Cc2cccc(F)c2)CC1 20614119 NTZDFQANHYYBNY-UHFFFAOYSA-N 343.402 2.651 0 50 EFAA O=C(NCCCc1ccccn1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 178570653 ITNCHVZOVROIFT-MSOLQXFVSA-N 343.471 2.559 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](C)c2nc(CC(C)C)no2)n(C)n1 82136747 IOJSSVKVZAZJQQ-GFCCVEGCSA-N 333.436 2.691 0 50 EFAA O=C(NCc1ccc(CN2CCCC2)cc1)c1ncc(F)cc1F 191882282 QDLLZRAUPTTWGR-UHFFFAOYSA-N 331.366 2.886 0 50 EFAA CCc1csc(CCNC(=O)N2CC[C@H](n3nc(C)cc3C)C2)n1 426612895 QOAVDPMZBPZFDT-HNNXBMFYSA-N 347.488 2.718 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 239310423 IKFTUWICNDCDAF-NBYUQASBSA-N 345.398 2.684 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)N1CCCC[C@@H]1c1ccccn1 426503957 GMFYZWOLIBMSHP-QGZVFWFLSA-N 327.432 2.901 0 50 EFAA CC(C)N1CCC(CC(=O)N2CC(OCc3ccccc3)C2)CC1 95522580 OGYATVYRMCCGJR-UHFFFAOYSA-N 330.472 2.925 0 50 EFAA COc1ccc(OC)c([C@H](C(=O)O)N2CCc3ccccc3C2)c1 95355343 LXTZXYRAXDUULG-GOSISDBHSA-N 327.380 2.888 0 50 EFAA C[C@@H](NC[C@H](O)CN1CCCC1=O)c1cc(F)c(Cl)cc1Cl 180441798 FXUGZKGIRIGJPS-ZJUUUORDSA-N 349.233 2.766 0 50 EFAA CC(=O)c1cc(C(=O)NCCCn2nnc3ccccc32)cs1 96160220 NMTDVZHVLNQSAC-UHFFFAOYSA-N 328.397 2.516 0 50 EFAA COc1ccc(-c2cn(C[C@H](c3ccc(C)o3)N(C)C)nn2)cn1 95366082 SWLHCFKFXCENLK-OAHLLOKOSA-N 327.388 2.553 0 50 EFAA O=C1C[C@@H](C(=O)NC2(c3cc(F)ccc3F)CC2)C2(CCCC2)O1 97742923 WJIKDJJOYJQSQJ-ZDUSSCGKSA-N 335.350 2.946 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@H]1CCCN(Cc2ccco2)C1 95374090 JLOAHKKXPAGEFH-INIZCTEOSA-N 345.443 2.845 0 50 EFAA Cc1nnc(SCCCNC(=O)c2cn3c(C)cccc3n2)s1 97574918 TXKFDGZUANLZJZ-UHFFFAOYSA-N 347.469 2.715 0 50 EFAA COc1cc2c(cc1CNc1nc(C)nc3ncccc13)OCCO2 95359771 SHNVIAPQZXTNKG-UHFFFAOYSA-N 338.367 2.725 0 50 EFAA Cc1ocnc1C(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244724012 MMAWAQBXTWPDLU-JOQOYGCGSA-N 337.379 2.773 0 50 EFAA CNC(=O)[C@@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CCO1 182432333 OPZVHFJTZNROMP-HNNXBMFYSA-N 334.416 2.501 0 50 EFAA CCOc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 252522955 BMUNSRIZRJSGCQ-MPGHIAIKSA-N 326.396 2.722 0 50 EFAA Cc1nc2cc(NC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)ccc2s1 299793222 HOLBIVQPBLUFJZ-INIZCTEOSA-N 346.412 2.663 0 50 EFAA Cc1ncsc1CCN(C)C[C@H]1CC(=O)N(c2ccccc2)C1 299799754 RSQRJORFHMSGOF-OAHLLOKOSA-N 329.469 2.979 0 50 EFAA CSCC[C@H](NC(=O)c1c(C)ncn1C)c1nc2ccccc2[nH]1 299790575 BWFBGCVOSSNFHU-AWEZNQCLSA-N 343.456 2.829 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NC[C@@H]1COc2ccccc2O1 823599060 KEPQJXUESMQXCJ-OAHLLOKOSA-N 343.427 2.671 0 50 EFAA CCn1cncc1Cn1cnc2ccc(OC(F)(F)F)cc2c1=O 584899910 JQPINQRRDBCDOT-UHFFFAOYSA-N 338.289 2.560 0 50 EFAA COc1nc(-c2ccc(C(=O)N[C@H](C)c3csc(C)n3)cc2)n[nH]1 584900193 WJUYUIBTFIHAIE-SECBINFHSA-N 343.412 2.736 0 50 EFAA COc1ccc(CN(C)c2ccc3nnc(C(F)F)n3n2)c(OC)c1 269114881 YJPAQJGNUQIPFI-UHFFFAOYSA-N 349.341 2.716 0 50 EFAA CCCCn1nc(Cc2ccccc2OC)nc1[C@@H]1CCC(=O)N1 670440582 NGLOTOVYMNPLDQ-AWEZNQCLSA-N 328.416 2.629 0 50 EFAA CC1(C)CC[C@H](CO)N(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 685944859 DPNPCCZOSSURIC-PMPSAXMXSA-N 345.439 2.571 0 50 EFAA Cc1nnc2n1[C@@H](C(=O)N1CCn3cccc3[C@@H]1c1ccccc1)CC2 1875292356 FQEYEEDMYKNEOG-MJGOQNOKSA-N 347.422 2.507 0 50 EFAA O=C(c1ccc(-c2cnc[nH]2)cc1)N1CC(c2n[nH]c3c2CCC3)C1 1875320817 LZPPQQVBXJJCMW-UHFFFAOYSA-N 333.395 2.528 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](CC)c2ncc(C)[nH]2)cc1 1875371805 MLUXDSXYVDVCFW-HNNXBMFYSA-N 326.400 2.748 0 50 EFAA CC(C)(C)c1ccc(OCc2nc([C@H]3CCCNC3=O)n[nH]2)cc1 952975469 DXVGSJRSBTXRHW-CQSZACIVSA-N 328.416 2.675 0 50 EFAA CC(=O)N1C[C@@H](NCc2cn(C(C)C)nc2C)CC[C@@H]1C(F)(F)F 886035283 PFACTXKXCSLCOV-LSDHHAIUSA-N 346.397 2.804 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)CC1=CCCCC1 275645630 KIFLJCGDXHCLFW-IRXDYDNUSA-N 348.466 2.681 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2csc3c2CCCC3)C1 277532855 LDPHIMVKXMUROP-BXUZGUMPSA-N 347.440 2.921 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)Nc1nc2c(s1)COCC2 169989046 OVPIJZHWPBRORP-UHFFFAOYSA-N 348.428 2.558 0 50 EFAA COc1nc(NCc2c(C)nn(Cc3ccccc3Cl)c2C)n[nH]1 170607148 JKNHREDTCBPTOE-UHFFFAOYSA-N 346.822 2.940 0 50 EFAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ccc2ccn(C)c2c1 633202061 VCVBZRCSFOCWNS-KRWDZBQOSA-N 327.428 2.555 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N(C)CC1(O)CCCCCC1 187515899 SYZLNUBMLIIMSK-CQSZACIVSA-N 335.448 2.878 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 189840409 NIUPZIHMUNAGDW-GXTWGEPZSA-N 339.382 2.902 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC[C@@]3(COC)C(=O)O)c2c1 643853847 MEAYWRTWZOUXGQ-GOSISDBHSA-N 331.368 2.701 0 50 EFAA C[C@H](NC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)N(C)C 192273556 TUAFAYXZMLHRTB-AWEZNQCLSA-N 332.448 2.665 0 50 EFAA COc1ccc(C2(C(=O)N3CCC(=O)[C@@H](C)C3)CCCC2)cc1OC 193926259 VCMAWYWMFKNELI-AWEZNQCLSA-N 345.439 2.953 0 50 EFAA CC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)C1 652389922 OJICQKRSYNYXLL-RISCZKNCSA-N 345.226 2.720 0 50 EFAA COc1ccc(C2(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)cc1 195539953 CFXVUTXQYGJIPI-SJORKVTESA-N 343.471 2.605 0 50 EFAA CCC[C@H]1COC[C@H]2CN(Cc3cc4ccccc4nc3O)CCN12 1529155592 VCCAGIHPRNRUPS-ZWKOTPCHSA-N 341.455 2.626 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2O)n[nH]1 1529152519 MFMFGJGYVLMFKC-CZUORRHYSA-N 339.361 2.772 0 50 EFAA CC(C)OCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC(C)(C)C 208432575 MVHWTSMVLYCPAY-CABCVRRESA-N 326.481 2.639 0 50 EFAA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 5529858 WHBHBVVOGNECLV-INWOFZLFSA-N 346.467 2.811 0 50 EFAA endogenous,in-man CC1(C)C[C@H](NC(=O)c2cn(Cc3ccccc3Cl)nn2)CCO1 12052658 FXJFDWMNVIRXEA-CYBMUJFWSA-N 348.834 2.667 0 50 EFAA COCCN1C(=O)CC[C@@H]2CN(Cc3cc(C)ccc3C)CC[C@@H]21 12283219 QXOXENPHQJQVOZ-MJGOQNOKSA-N 330.472 2.763 0 50 EFAA Cc1ncc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)n1C 12430916 GECILACKQGQSFB-SFHVURJKSA-N 348.450 2.772 0 50 EFAA CCc1ocnc1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 12475686 QJPPMCFFFZNVKH-MRXNPFEDSA-N 327.428 2.674 0 50 EFAA CN1CCN(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13320500 YLOPRMHGNDOMNN-UHFFFAOYSA-N 336.745 2.643 0 50 EFAA COc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1OC 13744390 RNZBSDYEQVHGQW-UHFFFAOYSA-N 337.322 2.677 0 50 EFAA COc1ccc(CN[C@@H]2CC(=O)N(CC3CCCCC3)C2)cc1O 14968009 RLOOIJOAZDNZET-MRXNPFEDSA-N 332.444 2.672 0 50 EFAA CSc1ccc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 15076986 SFFPWBSMJLHATP-MRXNPFEDSA-N 347.528 2.697 0 50 EFAA CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCN(C(C)C)CC1 16605916 FDFUEKVILKOYCO-SFHVURJKSA-N 334.460 2.842 0 50 EFAA C[C@H](c1cccnc1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 150996504 UXNZUZVLUFKFRO-LLVKDONJSA-N 325.343 2.895 0 50 EFAA Fc1ccc([C@H]2Cn3nnc(-c4nc(C5CC5)no4)c3CO2)cc1 169758302 ZAMYBRSPRRQXDN-CYBMUJFWSA-N 327.319 2.616 0 50 EFAA COc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1F 169779611 OZRBWVFPJSWFAJ-UHFFFAOYSA-N 327.359 2.571 0 50 EFAA O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668895 DSUGIXREIKBSAU-PZJWPPBQSA-N 337.419 2.825 0 50 EFAA CC(C)(C)c1cc(CS(=O)(=O)Nc2cccc(C(=O)O)c2)no1 430975387 MCVXSTILWOXVEL-UHFFFAOYSA-N 338.385 2.612 0 50 EFAA Cc1nc(-c2ccc(N(C)CC[C@H](N)C(C)C)nc2)nc(O)c1C 420200932 GXSNJSYUQPQRHG-HNNXBMFYSA-N 329.448 2.671 0 50 EFAA CCn1nc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)c2ccccc21 431712087 QNYUSIIELOIYIN-QFBILLFUSA-N 339.443 2.718 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C1CCN(c3ccccc3Cl)CC1)C2 248074090 YOWAXZPSYKTDNW-ZBFHGGJFSA-N 347.890 2.861 0 50 EFAA CC(=O)NC1CCC(N2CCC(Oc3cccc(C)n3)CC2)CC1 154479679 IPGBKQVOUGZTNI-UHFFFAOYSA-N 331.460 2.681 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C12CCCCC2 366841833 IKDMHRCMSVFHAO-BBWFWOEESA-N 349.475 2.694 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)s1 821545011 UHKCYQKERKZJHM-CYBMUJFWSA-N 343.514 2.986 0 50 EFAA CCN(c1ccc(C)cc1C(=O)O)S(=O)(=O)c1cc(C)ns1 901703276 RRLBROGGEPFWOI-UHFFFAOYSA-N 340.426 2.673 0 50 EFAA C[C@H](OC(=O)c1ccc2oc(O)nc2c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 805654321 RHXZRFGLFPNIKI-UTUOFQBUSA-N 346.383 2.583 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 110593 OQFOOVMKJDLAEN-UHFFFAOYSA-N 343.387 2.747 0 50 EFAA Cc1ccc2c(c1)O[C@](NCc1ccco1)(C(F)(F)F)C(=O)N2 19858596 GEEVXXMENDHVQF-AWEZNQCLSA-N 326.274 2.967 0 50 EFAA CC[C@@H](C(=O)N1CCC2(CC1)OCCc1sccc12)n1cccn1 2356159973 XSXWRZDCDLISKC-HNNXBMFYSA-N 345.468 2.986 0 50 EFAA CCOC(=O)c1ccc2nc(C(Cl)(Cl)Cl)[nH]c(=O)c2c1 6493492 FZKMKDLFWJUOBJ-UHFFFAOYSA-N 335.574 2.927 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1 6697121 YEHRPSIYSYQYEC-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)NCCCN1CCCC1 10449994 NLAQNACCRYSAAU-UHFFFAOYSA-N 331.243 2.974 0 50 EFAA Cc1cccc(C)c1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101513973 HPHDTWLWSVEYPJ-NXNVCVFFSA-N 340.423 2.663 0 50 EFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCN(c2nccs2)CC1 57826261 FHWYPBDVSXHQFG-UHFFFAOYSA-N 345.472 2.876 0 50 EFAA CC(=O)NC(C)(C)c1noc(C[C@H](c2ccc(O)cc2)C2CC2)n1 351186078 OXNSFIRZJJWZTG-HNNXBMFYSA-N 329.400 2.883 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)Cc1cnc2c(C)cccn12 65493074 SNZFQBBRPAQYMQ-OAHLLOKOSA-N 341.411 2.578 0 50 EFAA CCCN1CCN(CCNC(=O)Nc2ccc(C)c(Cl)c2)CC1 23114600 UDTDCOFXKPUDKI-UHFFFAOYSA-N 338.883 2.798 0 50 EFAA CCNc1ccnc(N2CCC(c3nnc4n3CCCCC4)CC2)n1 65406564 KPTDVPRUQVTKNW-UHFFFAOYSA-N 341.463 2.610 0 50 EFAA COCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)O)c(C)c1 351828840 ITQVGSKMRILDIY-UHFFFAOYSA-N 335.381 2.640 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)C2)c1 229443638 OOGSIPNCIGAUTP-RKVPGOIHSA-N 341.411 2.584 0 50 EFAA CCCc1cc(CNC(=O)CC(=O)Nc2ccccc2OCC)on1 65371554 HGGUBTUMIDALDY-UHFFFAOYSA-N 345.399 2.671 0 50 EFAA CCc1noc([C@@H](C)NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)n1 67788458 OTVXTFQDAJEJQY-MRVPVSSYSA-N 333.779 2.582 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)CCn1c(CC)nc3ccccc31)C2 67868419 VJHVUGACLPYZBY-UHFFFAOYSA-N 349.438 2.884 0 50 EFAA Cc1ccc(Oc2ncccc2CNC(=O)[C@@H]2CCCN2)c(F)c1F 67789404 OXXPTIREMLPKMP-ZDUSSCGKSA-N 347.365 2.829 0 50 EFAA Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](O)c2cnn(C)c2)s1 252498444 RCHIUSZHPFUHSA-INIZCTEOSA-N 345.424 2.645 0 50 EFAA CCN1CCN(CC(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 252482086 CXPWSEMCZUGRLC-UHFFFAOYSA-N 329.366 2.590 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)C(C)(C)NC(=O)c1cccs1 65489342 OLSIDQOOCPNWOS-ZDUSSCGKSA-N 338.473 2.674 0 50 EFAA CC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1cccs1 176253878 PUHGHAPZXXFOTQ-OAHLLOKOSA-N 337.489 2.705 0 50 EFAA C[C@](NC(=O)c1cc(-c2ccco2)on1)(C(=O)O)c1ccccc1 324607759 KXZRHJOQRZJQQS-QGZVFWFLSA-N 326.308 2.664 0 50 EFAA COCC(=O)NC[C@H](C)Oc1ccc(CN(C)C2CCCCC2)cc1 11881649 VFBHOXASFDKWMM-INIZCTEOSA-N 348.487 2.981 0 50 EFAA Cc1cc(NCCSc2nncn2C)nc(-c2ccccc2)n1 65372383 XDZDQSRYUQTYPF-UHFFFAOYSA-N 326.429 2.785 0 50 EFAA CCc1cc2c(=O)n(CC(=O)Nc3ccccc3OC)cnc2s1 149877 JHEASKMQXRYFDN-UHFFFAOYSA-N 343.408 2.668 0 50 EFAA COc1cccc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)c1 2795730 QVYHGRVVVZVOFD-JTQLQIEISA-N 338.205 2.929 0 50 EFAA Cn1ncc(Br)c1C(=O)NCc1ccc2ncccc2c1 2786219 XZIUAAMJRRTRMM-UHFFFAOYSA-N 345.200 2.661 0 50 EFAA CCC[C@]12CCCN1C(=O)N(C1CCN(c3ccccn3)CC1)C2=O 253428767 DWOBSRLKOZESSY-LJQANCHMSA-N 342.443 2.647 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN(Cc1ccncc1)CC2 253418783 VDLDBGXTSVFKOH-UHFFFAOYSA-N 328.412 2.708 0 50 EFAA CN(C)c1ncc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 71764419 DIZADEPSSZEDRY-INIZCTEOSA-N 332.835 2.770 0 50 EFAA O=C1CC2(CCN(C3CCOCC3)CC2)CN1Cc1ccccc1 72425560 BSMXIWRYLBABJX-UHFFFAOYSA-N 328.456 2.680 0 50 EFAA CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@H]1CCCNCC1 364649548 UHXJMFPJHDGWAE-INIZCTEOSA-N 340.427 2.828 0 50 EFAA CN(Cc1cccc(F)c1)C(=O)NCc1ccc(-n2ccnc2)nc1 363298269 CHIPUTAVAOOJTE-UHFFFAOYSA-N 339.374 2.748 0 50 EFAA O=C(COc1ccc(F)cc1F)N1CCCN(C2CCCC2)CC1 363241346 HUCPMSPYTPCDKA-UHFFFAOYSA-N 338.398 2.821 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H](Nc2ccccc2)C1 126095168 RJMKCYGMKYSSJM-CYBMUJFWSA-N 336.317 2.822 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(C)C1)CC(C)(C)O2 71385319 OWYFHFOLBDKMHL-CZUORRHYSA-N 332.444 2.755 0 50 EFAA O=C([C@@H]1CCc2cccnc21)N1CCC(c2nnc3ccccn23)CC1 333485078 QAOMNVFORVQLGN-MRXNPFEDSA-N 347.422 2.560 0 50 EFAA C[C@H](NC(=O)c1ccc2c(c1)SCC(=O)N2)c1c(F)cncc1F 368224394 JPTMGNKSHGHKSX-QMMMGPOBSA-N 349.362 2.895 0 50 EFAA Cc1cccc(C[C@H](CNC(=O)CC[C@H]2CC[C@@H](C)O2)C(=O)O)c1 237386412 XUDLIMLIANKAOK-DJIMGWMZSA-N 333.428 2.702 0 50 EFAA CC(C)(CN1CCN(CCOc2ccccc2)CC1)N1CCCCC1 72474814 PEUYNGRYZGNJGT-UHFFFAOYSA-N 345.531 2.948 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc(N2CCCC2=O)c1 237995920 MADFTVNSPFECEW-OAHLLOKOSA-N 344.411 2.673 0 50 EFAA CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@@H]2c2ccccc2F)c1 374035820 VEOQYCFNQHWTQM-DKRLNXSXSA-N 339.370 2.567 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 377192979 NGEYGAQJLMGZQD-QGZVFWFLSA-N 343.402 2.634 0 50 EFAA Cc1ccc(NC(=O)CCN2CCC[C@H](N3CCCC3=O)C2)c(C)c1 71756794 LRMDDYGFVOQLHS-KRWDZBQOSA-N 343.471 2.719 0 50 EFAA CN1[C@H]2CC[C@H]1CN(Cc1ccc(OC[C@H]3CCCO3)cc1)CC2 241287052 LJKODUISRXZHBF-CMKODMSKSA-N 330.472 2.913 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COc2cccc(C)c2)c1 337512063 MQEMJDYQXBPDKG-LPHOPBHVSA-N 341.407 2.717 0 50 EFAA Cc1cnn(CCNC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c1 175548125 FALVPVMUXBRPSQ-DYVFJYSZSA-N 330.407 2.953 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C1 286622437 CMXBMZTUGHUHDZ-CYDGBPFRSA-N 348.472 2.776 0 50 EFAA CC(C)n1cc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1 82138682 XIEDWJKUWJKONS-UHFFFAOYSA-N 346.818 2.606 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(F)cc2C)C2CC(O)C2)cn1 223843647 KJRSSNZRMRTSFN-RWKZGTHUSA-N 344.386 2.780 0 50 EFAA CCN(CC1CCOCC1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91830001 VAYYLIKXLKNJCW-UHFFFAOYSA-N 329.400 2.671 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@@]2(CCNC2)C1 333572716 MRIYAWVLSMONOV-FQEVSTJZSA-N 340.471 2.804 0 50 EFAA O=C(NCc1csc2c1CCCC2)c1ccnc(-n2cnnc2)c1 97551412 ACNGGISMAWHVRY-UHFFFAOYSA-N 339.424 2.533 0 50 EFAA CC(=O)c1c(C)nn(Cc2nc(C)nn2CCc2ccccc2)c1C 96133495 VYVVKIFDWSIDSE-UHFFFAOYSA-N 337.427 2.893 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 180971064 BRCQUCDWHFOKGJ-UHFFFAOYSA-N 343.814 2.900 0 50 EFAA CSc1ccccc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 91595497 RTLBSLDAQNTLPL-LSDHHAIUSA-N 342.420 2.744 0 50 EFAA COc1ccc(-n2ncnc2-c2cc(-c3cnn(C)c3C)on2)cc1 92097214 TUBJLRHILMSKFD-UHFFFAOYSA-N 336.355 2.640 0 50 EFAA CCc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)ccn1 91586248 UBPTUBIRAHNAMO-ZWKOTPCHSA-N 338.407 2.893 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCCCN3C)c2n1 97637855 OZEMSHNBFGBOCF-INIZCTEOSA-N 327.428 2.523 0 50 EFAA COc1ccc2[nH]c(CCN(C)C(=O)CSCC3CC3)nc2c1 243892414 AIAPFPCCILQGRQ-UHFFFAOYSA-N 333.457 2.716 0 50 EFAA O=C(NC[C@H](c1ccccc1F)N1CCCC1)[C@H]1CC[C@@H](O)CC1 244840227 UJDDSHNBRVTZBE-RVKKMQEKSA-N 334.435 2.630 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-n1cccn1 240128343 IQALXWBGYGQUSP-SPYBWZPUSA-N 348.406 2.509 0 50 EFAA CC[C@H]1CCCCN1CC(=O)NCc1nncn1C1CCCCC1 244691543 JEROBEDACBPCTA-HNNXBMFYSA-N 333.480 2.664 0 50 EFAA CN1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1 248091204 VJGQEVQPAUCVFP-OAQYLSRUSA-N 335.495 2.750 0 50 EFAA Cc1nc([C@@H]2CCCN(CCc3nc(-c4ccccc4)no3)C2)n[nH]1 268506302 TXPFDMFWRUVINU-OAHLLOKOSA-N 338.415 2.585 0 50 EFAA CC(C)c1nc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)cs1 368884131 OWBFUAAIBHNJFD-UHFFFAOYSA-N 347.440 2.848 0 50 EFAA COC(=O)Cn1cc(CNC2(c3cccc(Cl)c3)CCCC2)nn1 295737230 OQUWLFBDJUWIGR-UHFFFAOYSA-N 348.834 2.664 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(CCO)Cc2ccccc2Cl)n1 299791410 COJMBYMNBCFLII-HNNXBMFYSA-N 347.846 2.941 0 50 EFAA Cn1c(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc2c(Cl)cccc21 670458615 OPDCVXSLRDBTGG-NSHDSACASA-N 328.803 2.842 0 50 EFAA CC(C)c1cnn(C)c1CN1CCOc2c(cccc2C(=O)O)C1 1875283561 WIEDBWREHHSCGJ-UHFFFAOYSA-N 329.400 2.636 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CCN(c2ncnc3cccnc23)C1 1875295397 WSUJRQUUVHTFAO-MRXNPFEDSA-N 333.439 2.983 0 50 EFAA CCN(CC(N)=O)c1nc(-c2cccnc2)nc2sc(C)c(C)c12 1875261780 GHFRPEUWDPSJBN-UHFFFAOYSA-N 341.440 2.682 0 50 EFAA Nc1cnc(C(=O)N2CCCC[C@H]2Cc2cc(F)ccc2F)cn1 1875278038 UTGBCWCWFOASIK-ZDUSSCGKSA-N 332.354 2.574 0 50 EFAA COCc1cc(CN=c2[nH]cnc3cccc(Br)c23)no1 1875336181 URKGNUQHXOKXGP-UHFFFAOYSA-N 349.188 2.561 0 50 EFAA C[C@@H]1CN([C@H](C)c2ccccc2)CC[C@@H]1NC(=O)CCCN(C)C 1875342224 FMGQYPYDLVPCLC-LMMKCTJWSA-N 331.504 2.916 0 50 EFAA Cn1nccc1[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 1875394928 BPPSQAURGWZWBS-RCCFBDPRSA-N 335.407 2.527 0 50 EFAA COc1cccc(F)c1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C)o2)C1 952851860 XYYVKTMIIFIIAR-SGTLLEGYSA-N 345.374 2.720 0 50 EFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccccc1C1CCC1 1875402167 AUAUAARWYDIQIR-GDIGMMSISA-N 339.439 2.720 0 50 EFAA Cc1nnccc1NC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 952993633 IYVIZAARYHCRDQ-HZPDHXFCSA-N 342.399 2.799 0 50 EFAA COC1CCC(NC[C@@H]2C[C@H](F)CN2Cc2nc(C)c(C)o2)CC1 886048182 NBDQIZGTACZPRG-SOEBMCCKSA-N 339.455 2.751 0 50 EFAA COCc1csc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 886904631 HIAAGUOCGNVOEJ-RHNCMZPLSA-N 331.437 2.717 0 50 EFAA Oc1cc(N2CCO[C@@H](c3ccccc3Br)C2)ncn1 892252950 UDLHLRYBHVZQQV-GFCCVEGCSA-N 336.189 2.523 0 50 EFAA C[C@H]1C[C@@H](CCNC(=O)c2ccc(Br)cn2)CCO1 273440617 BTTSPYJEGTWAPT-QWRGUYRKSA-N 327.222 2.779 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@@]12CCCO2 273793866 BXTCMZUPNFYNHN-GGPKGHCWSA-N 342.439 2.943 0 50 EFAA COc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO[C@H]1C(C)C)n2C 408474470 YXPWIPXUBYZAAN-KSSFIOAISA-N 345.443 2.649 0 50 EFAA CN(Cc1nc(CC(=O)NC2CCCCC2)no1)c1ccccc1 109432209 VOQYQZGHFMBDTL-UHFFFAOYSA-N 328.416 2.697 0 50 EFAA CCS(=O)(=O)c1ccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 170604450 AUJXCYJCQLBQHT-CQSZACIVSA-N 348.472 2.622 0 50 EFAA O=C(c1cnc(-c2ccccn2)s1)N1CCN2CCCC[C@H]2C1 170781433 BTZPAMAXDXSCLG-ZDUSSCGKSA-N 328.441 2.515 0 50 EFAA CCC1(CC)Oc2ccc(NC(=O)N3CC(=O)N(C4CC4)C3)cc2O1 279550560 MPIQGGIWXSMYSP-UHFFFAOYSA-N 345.399 2.770 0 50 EFAA Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](N2CCCC2)C1 171446924 OXDXQFGACOCYFF-INIZCTEOSA-N 325.412 2.960 0 50 EFAA Cc1cc2occ(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)c2cc1C 640867704 UGTUHFWRCDFWOU-OLMNPRSZSA-N 342.439 2.767 0 50 EFAA Cc1nc2ccccc2nc1CN1CCSC[C@@H]1c1cnn(C)c1 191202377 ZBTPMPJLMOHNGQ-GOSISDBHSA-N 339.468 2.962 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 778135984 IEWOVVQOFUICJR-GUYCJALGSA-N 349.427 2.826 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 1506428641 PTYAYRJFQJFMIZ-ZDUSSCGKSA-N 334.379 2.693 0 50 EFAA O[C@H]1CN(c2ccc(Cl)cn2)CC[C@@H]1c1ccc2c(c1)OCO2 212359126 LCDOYHRGVHTPFI-KGLIPLIRSA-N 332.787 2.819 0 50 EFAA CCN(CCOc1cc(C)cc(C)c1)Cc1cnc(C(=O)O)cn1 1772711643 ALWSOQHXEFNBQU-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1c1nc(-c2ccccc2)nc2c1CCC2 1772709721 LKZMHSQMGXZLBF-HOCLYGCPSA-N 348.450 2.832 0 50 EFAA Cc1cc(C)c2nc(O)c(CN3C[C@H]4CCCN4C(=O)[C@H]3C)cc2c1 1772710438 ALZOJZWWZAPXGB-RHSMWYFYSA-N 339.439 2.752 0 50 EFAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2c[nH]cn2)CC1 19223926 MZYFHFPFMSVFIG-UHFFFAOYSA-N 327.428 2.798 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1cc(=O)c3ccccc3[nH]1)C2 19743983 KTJONPDSIHPCEY-HNNXBMFYSA-N 336.391 2.630 0 50 EFAA CN(C)C(=O)Cn1cc(NCc2c(F)ccc(Cl)c2F)cn1 1857533005 XGHQUGIZJMHNMG-UHFFFAOYSA-N 328.750 2.515 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ccc(Br)cc1F 237387756 IQIZBNFJWJGULC-ZWNOBZJWSA-N 343.240 2.859 0 50 EFAA O=C(CCn1cccn1)N[C@@H]1CCCN(c2ccccc2Cl)C1 128396644 QMAZMQUUGSXXNB-CQSZACIVSA-N 332.835 2.712 0 50 EFAA CC(C)n1ccnc1CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1 657392908 FEQJSEBICFBWNQ-GOSISDBHSA-N 340.471 2.787 0 50 EFAA COc1cccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)c1 680489379 SVVIYFJACQMOEF-LBPRGKRZSA-N 349.408 2.759 0 50 EFAA CN1CCC(n2ccc(NC(=O)c3ccc(Cl)cc3F)n2)CC1 373237532 SBTWEHKHWSBTRX-UHFFFAOYSA-N 336.798 3.195 0 50 EFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1CN1CCCC1 263836267 RHRIENOERZWDLR-GOSISDBHSA-N 338.455 2.881 0 50 EFAA Cc1nc(C(C)C)oc1CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 496994366 AQGUBXQDMOJBAO-GFCCVEGCSA-N 337.420 2.732 0 50 EFAA O=C(NC1(C(F)(F)F)CCCCC1)c1coc2c1C(=O)NCCC2 906660201 ODBLNHBUVJTUIZ-UHFFFAOYSA-N 344.333 2.951 0 50 EFAA C[C@@H]1OCC[C@@H]1C(=O)N[C@@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1 909755431 CWFLWMYLHMTRQV-KPWYMIHSSA-N 346.210 2.834 0 50 EFAA Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(CC(=O)O)c2)s1 829038200 CHPSIVGINNUDHA-NSHDSACASA-N 339.438 2.723 0 50 EFAA Cn1nc(C(F)(F)F)cc1CNC(=O)c1ccnn1C1CCCC1 831040338 GGXUBOXSDLLLRW-UHFFFAOYSA-N 341.337 2.681 0 50 EFAA CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccnn2C2CCC2)C1 934724994 GGXNATTUZMHUDL-UHFFFAOYSA-N 328.420 2.948 0 50 EFAA CCS(=O)(=O)C[C@@H](C)Nc1nc2cc(Br)ccc2o1 892533817 QTGIQUPREFTJBO-MRVPVSSYSA-N 347.234 2.825 0 50 EFAA COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 44505 JVHMEZVZCPEPAC-MRXNPFEDSA-N 330.384 2.809 0 50 EFAA COc1c(C)cc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1C 4520582 IEQHHTNXNMPPEF-UHFFFAOYSA-N 326.352 2.895 0 50 EFAA CSc1ccccc1N1C(=O)CN(C(=O)c2ccncc2)C[C@@H]1C 12183625 WZQLWCNSAGWKGD-ZDUSSCGKSA-N 341.436 2.681 0 50 EFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCc2nn(C)cc2C1 2325802730 YMMMECHTTWGVNR-AWEZNQCLSA-N 327.428 2.897 0 50 EFAA CN(CCc1cccnc1)C(=O)c1cc(-c2ccc(F)cc2)nn1C 2325822851 RVMKJYJOOIWVJV-UHFFFAOYSA-N 338.386 2.936 0 50 EFAA CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccc(F)cc2)NC(=O)N1 126763 PJINKMDSGFDRCJ-LLVKDONJSA-N 332.253 2.559 0 50 EFAA COc1ccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 4731917 TVDCVMBPWDHDMY-OAHLLOKOSA-N 336.391 2.637 0 50 EFAA COc1cc(NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 6640286 NUGOENOZXQLWNC-UHFFFAOYSA-N 341.360 2.652 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1OC 6725808 CFFJBPQASGDRHD-CABCVRRESA-N 347.411 2.767 0 50 EFAA COc1cccc(N2C[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2=O)c1 8247553 XOJAIZSRWNRGCE-RBSFLKMASA-N 330.428 2.553 0 50 EFAA Cc1cccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 100641817 HBIHYAVFDZDMPJ-GBESFXJTSA-N 340.467 2.730 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C(C(C)(C)C)=C[C@H]2[C@H]2C=C(C(C)(C)C)[C@H]21 101051044 FHSHJADOYHDXJQ-KJEVXHAQSA-N 329.444 2.649 0 50 EFAA O=S(=O)(c1ccc(N2CCC[C@H]2c2ccn[nH]2)cc1)C(F)F 225649446 YCDBUEPQERVKLS-ZDUSSCGKSA-N 327.356 2.748 0 50 EFAA CC[C@@H]1CN(C(=O)COc2ccc(Br)cc2)CCCO1 225601077 FFNULZUQQFEVQJ-CYBMUJFWSA-N 342.233 2.855 0 50 EFAA O=C(Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1)C1CCC1 102665083 RQRPMXGEISOVPD-FVQHAEBGSA-N 328.412 2.553 0 50 EFAA O=C(O)CC[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 134432906 VIEFGUUDTVOPQA-MRVPVSSYSA-N 332.219 2.838 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCN(CC(C)C)CC1 248265088 XNSQCBMGHOFFEM-RBUKOAKNSA-N 335.536 2.830 0 50 EFAA Cc1cc(N2CCc3onc(-c4ccccc4F)c3C2)nc(N)n1 67755536 GMIHELFLTBPQTP-UHFFFAOYSA-N 325.347 2.724 0 50 EFAA CC[C@H](NC1CSCCSC1)c1ccc(S(C)(=O)=O)cc1 67983469 JFYAGKUERSYUFP-HNNXBMFYSA-N 345.555 2.979 0 50 EFAA COc1cc(-c2ccc(C3(O)CCNCC3)cc2)cc(OC)c1OC 67540101 RCBKLAVZCVGDKW-UHFFFAOYSA-N 343.423 2.950 0 50 EFAA CCc1c(C)sc2ncnc(N3CCN(C4CCOCC4)CC3)c12 65424512 MCLCFFLLWOOXGV-UHFFFAOYSA-N 346.500 2.863 0 50 EFAA Nc1nonc1-c1noc(COc2cccc(Cl)c2Cl)n1 92785 TWEATTUPNOUWCZ-UHFFFAOYSA-N 328.115 2.588 0 50 EFAA S=C(NCCn1cc(Cl)cn1)NCc1ccc(Cl)cc1 611551 NCVSDZBWEZUMPR-UHFFFAOYSA-N 329.256 2.854 0 50 EFAA CC1(C)Cc2cccc(CN[C@@H]3CC(=O)N(CC(F)(F)F)C3)c2O1 120421533 KCTHSCCHIUYTCA-CYBMUJFWSA-N 342.361 2.653 0 50 EFAA Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)[nH]n1 253428914 PHJRLDIPWYVYCJ-HNNXBMFYSA-N 329.791 2.624 0 50 EFAA CCSc1nc(CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cs1 219902996 WSJXFPPCTFDSTG-LLVKDONJSA-N 336.486 2.927 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCCc2cn[nH]c2)[C@@H](C)C1 77453446 ZWCGADGSZGSXEY-INIZCTEOSA-N 326.444 2.778 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc2sc(N)nc12 71746758 PNWLRIPVSLAZNS-JTQLQIEISA-N 345.346 2.590 0 50 EFAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCNc2cccc(Br)c2)O1 330372898 CFFXDACZMNZAFJ-GYSYKLTISA-N 341.249 2.791 0 50 EFAA CC(C)CCC(=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1 284339598 CMYVLHKRAQJVLF-INIZCTEOSA-N 328.416 2.603 0 50 EFAA CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328602323 BCFNBPLRWXZTOK-QOKNQOGYSA-N 348.874 2.933 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cnoc3C)C2)cc1 77427849 QLOAIJRBFCEHMS-CQSZACIVSA-N 330.384 2.923 0 50 EFAA CO[C@@H](C)c1nsc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 328825762 SMUOLOGADGELHE-ONGXEEELSA-N 334.449 2.625 0 50 EFAA COc1ccccc1N1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC1=O 219858959 KNVAHYMQWIPVMC-HNNXBMFYSA-N 349.390 2.712 0 50 EFAA COc1ccc2oc(CN3C[C@H](OC)C[C@H]3c3nc(C)n[nH]3)cc2c1 284486245 FWPFYAWVSBWMLK-ZBFHGGJFSA-N 342.399 2.830 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCC4(CC3)OCCO4)c12 36364998 CKMFDRFXXGLNMD-UHFFFAOYSA-N 345.399 2.634 0 50 EFAA COc1cccc([C@@H]2CCCCN2C(=O)CCc2nncn2C)c1 77344245 QJQMDBMSRRZPRK-INIZCTEOSA-N 328.416 2.510 0 50 EFAA COc1cccc2c(C(=O)N3CC[C@@H](O)c4ccccc4C3)n[nH]c12 377633034 UJGSFVFNUUTONL-OAHLLOKOSA-N 337.379 2.651 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC4(CCOCC4)[C@H]3C)cc2n1C 373051915 NQAIHCCLLFZWIZ-CYBMUJFWSA-N 327.428 2.913 0 50 EFAA Cc1nnnn1CCCN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 72163535 ZGSSWHZJJPDESB-INIZCTEOSA-N 343.410 2.614 0 50 EFAA CCS[C@H]1CCCCN(C(=O)NCc2ncnn2C(C)(C)C)C1 374349179 JUFCFKUQEMOPSW-ZDUSSCGKSA-N 339.509 2.850 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccnc(C(=O)O)c1)c1nc2ccccc2[nH]1 236704636 SJEOLYAPEGTQMB-OAHLLOKOSA-N 338.367 2.783 0 50 EFAA Cc1ccccc1-c1ccc(CN2CCN(CCC(N)=O)CC2)cc1 216221610 XEERUGJWFZCAQQ-UHFFFAOYSA-N 337.467 2.655 0 50 EFAA Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(C(N)=O)o2)c1 174937649 DHIFOEYDXKUUSX-HNNXBMFYSA-N 327.384 2.734 0 50 EFAA Cn1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 287851023 ZEOXZGLKPXIKMH-GUDVDZBRSA-N 339.439 2.739 0 50 EFAA CC(C)C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)O 263430376 SNPDPHAHUVCCKK-AWEZNQCLSA-N 325.372 2.703 0 50 EFAA CCn1nc(C)c(-c2ccnc(NCCNc3cccnc3)n2)c1C 20598206 OOWXCQTYTCCGMP-UHFFFAOYSA-N 337.431 2.896 0 50 EFAA Cc1cccnc1C[C@H](C)N(C)C(=O)NCCC1CCN(C)CC1 426613615 JUROGFPXKQLEIG-INIZCTEOSA-N 332.492 2.694 0 50 EFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1Cc2ccccc2O1 83011514 NLQKHFWFTQUGFE-OAHLLOKOSA-N 328.437 2.984 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@@H]1COCC[C@@H]1OCC1CC1 220263086 LKWCTFNIUFNRDJ-MSOLQXFVSA-N 335.419 2.849 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCN(c2ccccc2C)C[C@@H]1C 77376320 JLZSJFWAYKVZOK-ZDUSSCGKSA-N 344.484 2.947 0 50 EFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cnc(C(C)C)s1 291707899 OQVWRIBDECULLX-CYBMUJFWSA-N 329.425 2.584 0 50 EFAA COCCN(Cc1ccccc1Cl)C(=O)c1cc(C(C)=O)n[nH]1 97272520 BDGIZLRUDLSVPO-UHFFFAOYSA-N 335.791 2.555 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(c2nccc(-c3ccccn3)n2)C1 96132870 QDEGBEKMQCUBCF-FQEVSTJZSA-N 332.407 2.945 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)o1 91997656 ZCEDSZINUOUFKV-LJQANCHMSA-N 346.427 2.686 0 50 EFAA Cc1nc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)no1 91915174 BJANOUQOVSTDJT-UHFFFAOYSA-N 348.406 2.894 0 50 EFAA O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](Oc2ncccc2F)C1 295197172 KGAVNMOCTHAJLP-AWEZNQCLSA-N 342.374 2.572 0 50 EFAA Cc1ccc(C)c2c(C)c(-c3nc(CN4CCOCC4)no3)[nH]c12 96153350 ZUVZMCZGVOLZOY-UHFFFAOYSA-N 326.400 2.975 0 50 EFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)C1CCC1)CC2 95373926 LGQDKFJDQKJWKH-QGZVFWFLSA-N 326.440 2.794 0 50 EFAA Cc1nc2ccccc2n1C1CCN(C(=O)c2cnn3c2CCC3)CC1 295131577 JXMPSCQPSJAMAI-UHFFFAOYSA-N 349.438 2.965 0 50 EFAA NC(=O)C1(NC(=O)c2ccc(N3CCCCC3)cc2)CCCCCC1 244748675 OMFGQQWQOZXVEI-UHFFFAOYSA-N 343.471 2.985 0 50 EFAA O=C(CCC(F)(F)F)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 261616061 AGCKCKMQNGLPNQ-LBPRGKRZSA-N 328.290 2.622 0 50 EFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1nc(C)c[nH]1)CC2 299780166 IPWOHOSXXQWUCT-TXPKVOOTSA-N 342.443 2.704 0 50 EFAA CCCn1cc(NC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)nn1 299782212 URPOBDLSDJBIBL-UHFFFAOYSA-N 347.810 2.882 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)Cc3ccccc3C(F)(F)F)C2)n1 299786844 UIKUFWIOZXOWQZ-LBPRGKRZSA-N 339.317 2.955 0 50 EFAA Cc1ccc(OCCN)c(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1 299757145 NELWRSWDMWMAJD-AWEZNQCLSA-N 330.432 2.506 0 50 EFAA C[C@@H](Cc1cncs1)NC(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 299759776 PCYUFVGKPGJGFN-ZBEGNZNMSA-N 347.415 2.717 0 50 EFAA O=C(COc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1cccnc1 390828984 VNGYIWPLTXIPBS-INIZCTEOSA-N 340.379 2.943 0 50 EFAA biogenic Cc1ccc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1 827848300 HCYIOWKEONPBSP-INIZCTEOSA-N 328.456 2.753 0 50 EFAA CC[C@@H](O)Cn1nc(C2CC2)nc1CCc1nc2ccccc2[nH]1 670473091 OSFSRZCCZZHBHQ-CYBMUJFWSA-N 325.416 2.588 0 50 EFAA CN(C)Cc1nc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2[nH]1 1875287726 XMFQGCJWYHEMJA-UHFFFAOYSA-N 349.438 2.523 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@H]3C[N@@]3C3CCC3)cc2)CC1 1875379740 VYCCDQNXVPDSMV-KNQAVFIVSA-N 326.440 2.938 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3cn4cccnc4n3)c2)n1 1875323112 XPPHGENKESMEOD-UHFFFAOYSA-N 346.394 2.843 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)C[C@H](C)n1cccn1 952979888 IQUWUKZKCGLKFH-NSHDSACASA-N 341.371 2.840 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(C)CC2)cc1C 952983506 UBQUFNPBLSVUQT-OAHLLOKOSA-N 347.459 2.639 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)nc(O)n1 952967142 GUTXWSOYQWPWOR-QGZVFWFLSA-N 343.427 2.576 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(Cl)cn2C)C1 888103069 DXXVYRWJWPBMJM-OLZOCXBDSA-N 336.823 2.621 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cccc(C4CC4)c3)C2)n1 1775959415 VDDUADQEJRYFFG-IBGZPJMESA-N 327.428 2.825 0 50 EFAA C[C@@H](c1ccc(CN2CCC[C@@](O)(C(=O)O)C2)cc1)C(F)(F)F 1775989689 FYBFLKBEDACDCB-NHYWBVRUSA-N 331.334 2.764 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC(C)(C)O1)[C@H]2C 898638124 YLKRQGBQBUSCPV-KBPBESRZSA-N 349.479 2.835 0 50 EFAA COc1ccc([C@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2N(C)C)cc1 1565514128 JDPUDBUJFCVNPH-MSOLQXFVSA-N 344.480 2.855 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)[C@]2(c3ccccc3)C[C@@H]2C(=O)O)s1 899816737 GREPXEXDUNMYJH-ACJLOTCBSA-N 344.436 2.845 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCO[C@H]1C(C)C 408474837 SJMNOQINMOQOQY-QAPCUYQASA-N 347.459 2.616 0 50 EFAA C[C@@H](NCCOc1ccccc1Cl)C1CCS(=O)(=O)CC1 275268185 BLGVIRKAFAOPLO-GFCCVEGCSA-N 331.865 2.522 0 50 EFAA O[C@H](COCc1ccc(Cl)cc1)Cn1cnc(-c2ccccn2)n1 170591106 KRNIGGXKWDELMZ-HNNXBMFYSA-N 344.802 2.571 0 50 EFAA COC(=O)[C@H](Cc1ccc(C)cc1)Sc1ncnc2[nH]cnc12 279922436 KTWDHLFXEBBHRS-LBPRGKRZSA-N 328.397 2.538 0 50 EFAA C[S@@](=O)C1(CNC(=O)NCCc2ccc3ccccc3c2)CCC1 281171283 DGNRWPHQTLXNRS-XMMPIXPASA-N 344.480 2.983 0 50 EFAA CC[C@@]1(C)CN(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)CCO1 188154601 OBAQFSVKDMHQET-KDOFPFPSSA-N 336.432 2.673 0 50 EFAA CC(C)c1ccnc(N2CCN(CCCN3CCCCC3)CC2)n1 189208367 DMHJXYOYZHSEQJ-UHFFFAOYSA-N 331.508 2.598 0 50 EFAA O=C(NCCOc1cccc2ccccc12)NC[C@H]1CC[C@@H](O)C1 190242012 AYWYZNHIOFMYKN-GOEBONIOSA-N 328.412 2.679 0 50 EFAA C[C@@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1n1ccnc1 190373463 JREYIDBLGOSCKP-DYVFJYSZSA-N 348.397 2.997 0 50 EFAA O=C(O)CCc1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1 191020694 PLVHWLZOIXRMEC-UHFFFAOYSA-N 336.351 2.537 0 50 EFAA COc1ccccc1-n1ncc(C(=O)N2CC[C@H]2C(F)(F)F)c1C 646289301 UCLXPTFKCAEDOH-AWEZNQCLSA-N 339.317 2.966 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)Nc1cccc2c1OCC[C@H]2O 194865354 KHQRTWFTJZCQGK-CYBMUJFWSA-N 334.322 2.936 0 50 EFAA CN(C)C(=O)OCCn1nc(-c2cccs2)c2ccccc2c1=O 195570126 KYEICVVOCTYHLA-UHFFFAOYSA-N 343.408 2.823 0 50 EFAA O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 310171 RTLVLKCZHQSPIU-JXMROGBWSA-N 346.408 2.716 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cs1 216327122 XTTRIWCZADECFL-HIFRSBDPSA-N 332.469 2.784 0 50 EFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccccc3Cl)C2)CC1 11661394 AFJWELJCVSMKQZ-AWEZNQCLSA-N 335.879 2.628 0 50 EFAA COc1cccc(CC[C@H]2CCCN(C(=O)CCC(=O)N(C)C)C2)c1 12051454 UCNJHFHXUGKFGH-QGZVFWFLSA-N 346.471 2.735 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)C(C)C)C2)c(C)c1 12715746 XRTOYWLSPUNFHS-CQSZACIVSA-N 339.457 2.637 0 50 EFAA Clc1ccccc1CN1CCc2nnc([C@@H]3CCCO3)n2CC1 200542463 RYPIOXXCDGDQCR-HNNXBMFYSA-N 332.835 2.841 0 50 EFAA COc1cc(-c2nccn2Cc2ccccc2-n2cncn2)ccn1 1857685309 RAPDMLIFXBNQHP-UHFFFAOYSA-N 332.367 2.583 0 50 EFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CC[C@H](c2cc[nH]n2)C1 1857708321 NJTLPCQXYXORDA-ZDUSSCGKSA-N 339.374 2.877 0 50 EFAA O[C@H](CN1CCC(Oc2cnccn2)CC1)c1cc2ccccc2o1 815104718 RZCPDCUUSJSHQK-MRXNPFEDSA-N 339.395 2.800 0 50 EFAA COCC1(CNC(=O)NCc2ccc(C)nc2N2CCCC2)CCC1 225698491 RXNYGDADHSPJTK-UHFFFAOYSA-N 346.475 2.606 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Cn1cnc(-c2ccccc2)n1 118962301 ZSJDWLPVHKQKAG-SJLPKXTDSA-N 342.443 2.513 0 50 EFAA CC(C)c1cnc(CN[C@@H]2CCC(O)=N[C@H]2c2cnn(C)c2)s1 328632901 LOQNPAAFRJKQSO-WBMJQRKESA-N 333.461 2.950 0 50 EFAA 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2.724 0 50 EFAA CCCc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)[nH]n1 72154754 NKIWXABUXAAAMN-OXJNMPFZSA-N 341.455 2.818 0 50 EFAA CCOc1c(CN(C)c2nc(C)nc3c2cnn3C)cccc1OC 72143193 CYOKFRLSURVQGY-UHFFFAOYSA-N 341.415 2.715 0 50 EFAA C[C@H]1CCCN(CCCOc2ccccc2CN2CCN(C)CC2)C1 215256653 RQNNDIBAGUVRDA-IBGZPJMESA-N 345.531 2.935 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 238195371 KPXNCNDUEZSQQS-OFLPRAFFSA-N 331.412 2.663 0 50 EFAA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1 218157302 MNVVYNYUFRNLHS-INIZCTEOSA-N 344.484 2.943 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCS(=O)(=O)c2ccccc2C1 286170581 UDDVFDGMRMWSLC-UHFFFAOYSA-N 333.409 2.833 0 50 EFAA O=C(CCN1CCO[C@H](C(F)(F)F)C1)N1CCCc2ccccc21 71661280 WCFDUUGIHSZLNX-HNNXBMFYSA-N 342.361 2.619 0 50 EFAA O=C(COc1cc(F)cc(F)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 458332621 MFENXBSTRZESPC-DLBZAZTESA-N 339.382 2.743 0 50 EFAA O=C(O)COc1ccc(-c2cccs2)cc1CN1CCC[C@H]1CO 222800511 DKMKAFBORWFLLI-HNNXBMFYSA-N 347.436 2.835 0 50 EFAA 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QYLMVBFXONVTIP-CQSZACIVSA-N 343.427 2.907 0 50 EFAA CNC(=O)c1cccc(N2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)c1 252539193 NVTUIVJUJSKRAR-UHFFFAOYSA-N 347.378 2.689 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)N1CCN(Cc2cccs2)CC1 299761879 ZOVDGXZDGSBFFJ-AWEZNQCLSA-N 332.473 2.549 0 50 EFAA CSCc1noc(CNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)n1 299778325 GKYDQYZCFHAWIK-SECBINFHSA-N 334.401 2.578 0 50 EFAA CN(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cn1 269083935 JYVHFTMWGBGSMK-OAHLLOKOSA-N 325.368 2.539 0 50 EFAA Cn1nc2c(c1C(=O)NCc1nc(C3CCCCC3)no1)CCCC2 299793908 JEZJAQXHRMHHRU-UHFFFAOYSA-N 343.431 2.660 0 50 EFAA C[C@@H]1O[C@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@H]2[C@H]1O 584904266 GUBBGFQZZOLTHG-BIDUBHPMSA-N 342.391 2.792 0 50 EFAA O=C(Cc1ccc2ncsc2c1)N=c1cc([C@@H]2CCCOC2)[nH][nH]1 1875255872 DHZGILCKTFZHNY-GFCCVEGCSA-N 342.424 2.517 0 50 EFAA C[C@H](c1cccc(Cl)c1F)n1cc(C2(O)CCOCC2)nn1 881369104 DVXPTOPPRCGAGO-SNVBAGLBSA-N 325.771 2.678 0 50 EFAA CN(C)c1nc2ccc(C(=O)N3CCC4(CC3)CC4(F)F)cc2[nH]1 1775999964 ZQQDRCACXGGYSG-UHFFFAOYSA-N 334.370 2.890 0 50 EFAA CCOC(=O)c1nc(CC(F)(F)F)sc1NC(=O)NCCF 1775993944 OXIMTRSMLWRYHG-UHFFFAOYSA-N 343.302 2.516 0 50 EFAA Cc1ccoc1CN(C)C(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2 1776005919 QAMWGPZCWIUYSN-UHFFFAOYSA-N 348.428 2.773 0 50 EFAA COc1ccc(Cn2ncc3cccc(C)c3c2=O)c(OC)c1OC 899351034 XMOSRENMPKQNAJ-UHFFFAOYSA-N 340.379 2.779 0 50 EFAA CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2Cc2ccccc2)CCO1 271696675 PIZATXIFXNOJNI-QRVBRYPASA-N 330.472 2.971 0 50 EFAA C[C@H]1CN(C(=O)c2c3c(nn2C)CCCC3)[C@H](c2ccccc2)CO1 675814121 ZCXKRSIWLFWZPE-KSSFIOAISA-N 339.439 2.901 0 50 EFAA Oc1nccnc1N1CCC[C@H](Nc2nc3cc(F)ccc3o2)C1 275402536 CMOZKSHOJUOHRR-NSHDSACASA-N 329.335 2.543 0 50 EFAA CC(C)n1cccc1C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 275638558 NMEAXOLMSJJJFK-HNNXBMFYSA-N 342.443 2.824 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 275719687 OQEATTDHBIKNQT-OAHLLOKOSA-N 344.484 2.906 0 50 EFAA O=C(NCc1ccncc1)N1CCO[C@H](c2ccc(F)cc2F)C1 186763640 MJEAPPXBVBMEHX-INIZCTEOSA-N 333.338 2.643 0 50 EFAA Cc1nc(CO[C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)C2)cs1 170599089 TZPSMYYLANRWCD-JKSUJKDBSA-N 338.473 2.918 0 50 EFAA O=C(CCc1cc(F)ccc1F)NCc1ccnc(-n2cccn2)c1 170591571 ZSBQKWLDLWYNCZ-UHFFFAOYSA-N 342.349 2.795 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 408343212 OAEOUMOOHJEGBQ-VXGBXAGGSA-N 332.425 2.632 0 50 EFAA C[C@@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)N(C)CC(F)(F)F 170614678 GEERRDUNOJAMJI-NEPJUHHUSA-N 332.366 2.712 0 50 EFAA O=C(CC1OCCCO1)N[C@H]1CCCOc2cc(Cl)ccc21 189388035 KGXKMMBQMUGDLL-ZDUSSCGKSA-N 325.792 2.823 0 50 EFAA CC(C)(C)n1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)nn1 191429219 OGTGHBXLPPEPJE-QGZVFWFLSA-N 336.480 2.583 0 50 EFAA CC[C@H](C(=O)O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 191426096 ZZSCWVDIAYTHMF-CQSZACIVSA-N 330.350 2.686 0 50 EFAA Cc1cc(F)ccc1C[C@H](C)NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 661496057 LHJNIHCVOFDCKT-DNUAJFIVSA-N 334.435 2.868 0 50 EFAA CCN(C(=O)c1cn([C@@H]2CCCNCC2)nn1)[C@@H]1CCCC[C@H]1C 662788604 MWGPMPVHEJKWBT-BFYDXBDKSA-N 333.480 2.634 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccc(F)cc1F 776658735 LEKZCFKSYONJMO-GDBMZVCRSA-N 331.318 2.937 0 50 EFAA CCN(C)c1ccnc(NCc2ccc(N3CCCC3=O)cc2)n1 1529197862 YCPVXPTXEHWDNP-UHFFFAOYSA-N 325.416 2.672 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc4nc[nH]c4c3)C[C@H]2C1 1529100156 ODYXDEMHJMKVEG-GEEKYZPCSA-N 326.444 2.754 0 50 EFAA COc1cc2c3c(c1)[C@@](O)([C@H]1CCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816395 CHKZAKGXQZCUST-XOBRGWDASA-N 341.407 2.794 0 50 EFAA CCOC(=O)CNC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11816914 CHHCPOJNCBXIBA-QGZVFWFLSA-N 347.459 2.959 0 50 EFAA CC[C@@H](COC)Nc1ncnc2sc(C(=O)NC3CC3)c(C)c12 11972364 WIGBQEXMBSXXTO-JTQLQIEISA-N 334.445 2.729 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(SC)cc3)C2)C1=O 12708294 VGHNRXGIIWLPOK-IBGZPJMESA-N 348.512 2.869 0 50 EFAA Clc1cccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)c1 14883847 ALBPHRRMNWWXGK-OAHLLOKOSA-N 332.835 2.841 0 50 EFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccs3)C2)nn1 15066642 OMUXDFIEEMOVLP-CQSZACIVSA-N 347.488 2.659 0 50 EFAA CSc1nnc(CCNC(=O)c2ccco2)n1-c1ccc(F)cc1 19112379 YLOLKTFHRBEDQP-UHFFFAOYSA-N 346.387 2.694 0 50 EFAA O=C(CC1CCOCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 19300774 HZCQVTMLHUMOHK-IBGZPJMESA-N 331.456 2.645 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CO[C@@H]1c1cc(F)ccc1F 200534698 RYDSJJXCDQFTKF-LEWSCRJBSA-N 329.343 2.680 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 1857668936 AHARHVGUAUWCGQ-FXAWDEMLSA-N 331.456 2.839 0 50 EFAA CN(c1ccccc1)c1ccc(-c2nccn2[C@@H]2CNC[C@@H]2O)cc1 1857681138 ZITGTTAMVMFSLV-MOPGFXCFSA-N 334.423 2.823 0 50 EFAA CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1 1857725347 RKLIJGJARWUOMO-GBESFXJTSA-N 342.483 2.966 0 50 EFAA C[C@H](c1nnnn1C)N1CCC[C@@H](COc2ccccc2Cl)C1 225407390 YTCUZIZDTLXTSQ-CHWSQXEVSA-N 335.839 2.716 0 50 EFAA COc1ncc(NC(=O)N2CC[C@H](C)CC[C@H]2C(C)C)cc1C(N)=O 119771198 GDFBCRIUTZJJBQ-DOMZBBRYSA-N 348.447 2.868 0 50 EFAA CNc1ccc(Cl)c(C(=O)N2CCC(N3CCCCC3=O)CC2)c1 328592769 DNPVMBCKBKXIRA-UHFFFAOYSA-N 349.862 2.999 0 50 EFAA C[C@](NC(=O)c1ccoc1)(C(=O)O)c1cccc(Br)c1 736661589 XKFUFACMNAAYOA-CQSZACIVSA-N 338.157 2.772 0 50 EFAA CN(C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1 252481069 CHLVUBZBRHFWCQ-UHFFFAOYSA-N 343.471 2.596 0 50 EFAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 262071875 CKSZVYQDFLZZAV-LLVKDONJSA-N 325.411 2.529 0 50 EFAA CNc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cn1 376062649 ULDYWHDEQWVXRY-AWEZNQCLSA-N 345.830 3.460 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)[C@@H]2C[C@@]2(C(=O)O)c2ccccc2)s1 905125298 MCEZGYKQZBSJPM-SCLBCKFNSA-N 344.436 2.845 0 50 EFAA Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)oc1C(=O)O 911197997 PBKYAVNBXXOEAI-HNNXBMFYSA-N 342.395 2.853 0 50 EFAA CC(C)Cc1ncc(NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)cn1 931206245 URVGVAOBOWUUNL-HNNXBMFYSA-N 348.447 2.525 0 50 EFAA CC[C@@H](C)NC(=O)CN1CCC2(CC1)CCN(Cc1ccccc1)C2 378300993 DRDOMQHQMGORGB-GOSISDBHSA-N 343.515 2.889 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)C(Cl)(Cl)Cl)CC2 4618610 DGUDPVKKEPXKLP-UHFFFAOYSA-N 338.618 2.959 0 50 EFAA CCn1nc(C2CCCC2)nc1[C@H]1OCC(=O)N[C@@H]1c1ccccc1 2100537069 HKWKXJXLUJBSEE-SJORKVTESA-N 340.427 2.884 0 50 EFAA C[C@H](Cc1ccccc1Cl)C(=O)N1CC(O)(c2cccnc2)C1 2325802592 PGUJDWHWVGZZJX-CYBMUJFWSA-N 330.815 2.644 0 50 EFAA COC(=O)c1csc(N2CC[C@@H](n3ncc4ccccc43)C2)n1 2325839406 RZCAGFYMVUMTSX-GFCCVEGCSA-N 328.397 2.731 0 50 EFAA O=C(NC[C@H]1Cc2ccccc2CN1)c1conc1-c1ccccc1 2325856617 WXBPXWWWSSNARF-QGZVFWFLSA-N 333.391 2.786 0 50 EFAA CN(C)c1ncn(-c2cccc(NCc3cc4cnccc4[nH]3)c2)n1 2325858624 UYHHHNORVLYMGV-UHFFFAOYSA-N 333.399 2.822 0 50 EFAA O=C(NCc1nnc2c(Cl)cccn12)c1cncc2ccsc12 2325878473 QVSAAGOMHJBQLU-UHFFFAOYSA-N 343.799 2.922 0 50 EFAA CCc1cc(CC(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)n(C)n1 933731957 YZLVDRJSAQIBOF-SFHVURJKSA-N 349.438 2.552 0 50 EFAA COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)(C)C 279846 WKXFPHPNPASBRC-CQSZACIVSA-N 334.441 2.830 0 50 EFAA CCOC(=O)N1CCN(C(=O)CSCc2ccccc2C)CC1 450375 FTPSYTPYXSPPAW-UHFFFAOYSA-N 336.457 2.529 0 50 EFAA c1cncc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1 1016502 FTDGGRHJBHXDNG-UHFFFAOYSA-N 333.380 2.646 0 50 EFAA CCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 6823125 YWSIYUVMCBMCPK-UHFFFAOYSA-N 336.351 2.696 0 50 EFAA CC(C)(C)OC(=O)N1CCC(Nc2ccn(CC(F)F)n2)CC1 133872528 FCGZORWZTHCBQR-UHFFFAOYSA-N 330.379 2.960 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCCN1C(=O)OC(C)(C)C 225417985 HJFGFSZHUKZWPA-UHFFFAOYSA-N 328.844 2.994 0 50 EFAA COc1ccc([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)cc1Cn1cccn1 225429485 BRFRZIJBYFRKPT-WITVHBPWSA-N 327.428 2.911 0 50 EFAA CCOc1cccc(CN(CCO)C(=O)c2cccnc2SC)c1 55271670 VQRIOXGXMNETIY-UHFFFAOYSA-N 346.452 2.837 0 50 EFAA Cc1cnn(CCN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 134765875 MKQWLEBRBCZPCY-ZWKOTPCHSA-N 348.878 2.506 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)NCCC2=CSC3=NCCCN23)cc1 102180702 VOXSFLMTTGAPJY-CQSZACIVSA-N 344.484 2.952 0 50 EFAA CCc1nc(C)c(C(=O)NCc2cc(-c3cccnc3)no2)s1 65381452 VHTPQEHGXVKYQG-UHFFFAOYSA-N 328.397 2.994 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)s1 314502865 UMBVKRKIJRULBR-LBPRGKRZSA-N 337.422 2.972 0 50 EFAA COc1ccccc1-n1cnnc1-c1cc(OC)c(OC)c(OC)c1 67821997 FEHVYKRPHDNJRK-UHFFFAOYSA-N 341.367 2.969 0 50 EFAA CC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 67338906 YYNKBIPPXOEHKP-UHFFFAOYSA-N 332.425 2.650 0 50 EFAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccco1 123699367 SPMKUHXFIQYDKG-VIFPVBQESA-N 343.788 2.979 0 50 EFAA C[C@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 2805462 DZVIIRYRDMKAMP-QMMMGPOBSA-N 328.294 2.811 0 50 EFAA Cc1oc(-c2ccccc2Cl)nc1CN1CCN(C)C(=O)[C@@H]1C 72430574 LQPQUXNJCRKOQM-NSHDSACASA-N 333.819 2.966 0 50 EFAA C[C@@H](C(=O)NCCC1=CCCCC1)N1CCCC[C@H]1Cn1cncn1 253372999 HKIHMWZZDGOWBY-WMZOPIPTSA-N 345.491 2.528 0 50 EFAA O[C@]1(CN2CCCCC2)CCN(c2cc(C(F)(F)F)ccn2)C1 77454624 NICMQPOPNPWFAR-HNNXBMFYSA-N 329.366 2.528 0 50 EFAA C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C[C@@H](C2CC2)O1 333176776 KSIIQBYYQOJXGH-ZSGPHXLJSA-N 345.443 2.511 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)no1 253433453 XBUULEPQINJWFT-PIGZYNQJSA-N 347.371 2.655 0 50 EFAA CN(CC(=O)N1CC[C@@H](c2ccccc2F)C1)Cc1ccccn1 77503674 AOHWDBZTXPNNQH-OAHLLOKOSA-N 327.403 2.669 0 50 EFAA CS(=O)(=O)CC1CCC(N[C@@H]2CCc3cccnc3CC2)CC1 333806835 ZGXANELTSKTFIP-BDVYOWHSSA-N 336.501 2.522 0 50 EFAA CSC[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 173632720 NJYBASNISPPMAX-ZBFHGGJFSA-N 334.485 2.797 0 50 EFAA COC1(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CCOCC1 367069676 XVFJZRJCJLEUFU-CQSZACIVSA-N 337.391 2.740 0 50 EFAA Cc1ccsc1CN(C(=O)c1[nH]nc2c1CN(C)CC2)C1CC1 71499271 DDCFDNXZIHXYBM-UHFFFAOYSA-N 330.457 2.572 0 50 EFAA C[C@@H]1CCc2[nH]nc(C(=O)N(C)Cc3cnc4ccccc4n3)c2C1 215914758 NRIRSNRVQVIMDJ-GFCCVEGCSA-N 335.411 2.750 0 50 EFAA COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 128069176 KOCWEBUPPALMJV-QAMTZSDWSA-N 344.455 2.960 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@@H]1CNCCO1 77515828 ASYIGANMBXRLJP-LJQANCHMSA-N 340.423 2.816 0 50 EFAA O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 241157285 JWKWYLQKWBHTAV-PVMRSWARSA-N 339.435 2.987 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 241515702 OHGMILPILSLSEC-UHIISALHSA-N 345.468 2.777 0 50 EFAA O=C(c1ccc2ncccc2c1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 219991394 CLXJGPXIISTTOJ-IBGZPJMESA-N 348.406 2.531 0 50 EFAA CNc1cc(C)nc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1 72406827 XBIRUZHLZAUBEF-QGZVFWFLSA-N 337.471 2.870 0 50 EFAA O=C(Cc1cccc(O)c1)N1CCC[C@H](OCc2cccnc2)C1 77503302 LZWJIYOMLFWZOP-SFHVURJKSA-N 326.396 2.538 0 50 EFAA CN(C)Cc1ccnc(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 176923417 SLXVCOYRGGCOQB-UHFFFAOYSA-N 349.438 2.900 0 50 EFAA CCc1nnc(CN(C)C(=O)N[C@@H](C)COc2c(C)cccc2C)o1 426424404 UEIOHRPNDWYLEO-AWEZNQCLSA-N 346.431 2.858 0 50 EFAA Cc1nc2nc(CN3C[C@@H](c4ccccc4)C(C)(C)C3)cc(O)n2n1 426549909 KHFNQBUCBNDVJL-INIZCTEOSA-N 337.427 2.764 0 50 EFAA CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)nc3C)cc2)C1 426544539 WSSFDSRAYRWBOO-SFHVURJKSA-N 337.423 2.716 0 50 EFAA Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)c(O)n1 292473681 CPKWMORLDVXURG-CYBMUJFWSA-N 329.375 2.586 0 50 EFAA Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H]4CSCN4C)CC3)nc12 95372809 OPECODUZUKHOAZ-HNNXBMFYSA-N 344.484 2.582 0 50 EFAA CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(C(=O)O)o1 236704765 FVYBUKGVYSMJMB-UHFFFAOYSA-N 348.330 2.606 0 50 EFAA Cc1ccc2cccc(OCCNC(=O)c3cc(C4CC4)[nH]n3)c2n1 97635106 KDINRKGCFSTKAL-UHFFFAOYSA-N 336.395 2.953 0 50 EFAA CCn1nc(CNC(=O)[C@H]2CCCN(C(C)C)C2)c2ccccc21 95508843 NWKDFVVMOISNHD-HNNXBMFYSA-N 328.460 2.793 0 50 EFAA O=C([C@H]1CCCOC1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 294103258 SGDOMGOCHFEHTF-IBGZPJMESA-N 342.483 2.928 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 95527690 QTDJWUNXBXGZLX-AWEZNQCLSA-N 346.431 2.661 0 50 EFAA CCN(CC)CCOC(=O)C[C@](C)(O)[C@H]1CCO[C@](C)(CC)C1 248099604 NJVWNHTWZNLWLA-JQHSSLGASA-N 329.481 2.608 0 50 EFAA biogenic Cc1cn2c(=O)cc(CN3CCC[C@H]3c3ccccn3)nc2s1 244898801 ZBUUONDSNGCEOK-HNNXBMFYSA-N 326.425 2.797 0 50 EFAA C[C@@H](CN(Cc1ccccc1)Cc1nccs1)N1CCOCC1 240517191 NWMIEZAOCCDYCG-INIZCTEOSA-N 331.485 2.866 0 50 EFAA CNC(=O)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)s2)CCO1 182479249 OAARATPJHHEIAV-OAHLLOKOSA-N 334.416 2.501 0 50 EFAA CCc1ocnc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 272292252 FVCKCMQOZIEXCY-UHFFFAOYSA-N 342.321 2.930 0 50 EFAA O=C([C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)N1CCSCC1 299798793 UENLWMDFSXYVDS-NSHDSACASA-N 345.390 2.502 0 50 EFAA Cn1cnc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCC2)c1 299780946 BPONOIVDCIXWBS-QGZVFWFLSA-N 330.407 2.516 0 50 EFAA CC1(C)C[C@H](O)CCN(C(=O)NCc2ccccc2-n2cccn2)C1 297262250 PEHIDOOPLLQBTL-MRXNPFEDSA-N 342.443 2.565 0 50 EFAA Cc1cc(CN(C)Cc2cc(Cn3cncn3)c(C)cc2C)no1 584890814 JFEFXHUMJDBJDB-UHFFFAOYSA-N 325.416 2.872 0 50 EFAA O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCSCC1 584901594 XDTPNYUOZVSSDG-ZDUSSCGKSA-N 339.892 2.925 0 50 EFAA CSCC[C@H](NC(=O)N(C)Cc1cccc2ncccc12)C(=O)O 670444940 PPYHOFAZXJAARY-HNNXBMFYSA-N 347.440 2.583 0 50 EFAA COc1ccc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cn1 670437784 RLJVZZRPKLEIRC-QGZVFWFLSA-N 339.439 2.618 0 50 EFAA O=C(Cc1nnc(O)c2ccccc12)N1CCC[C@@H](c2cccnc2)C1 869055211 OOZPTZBDZUBGQZ-OAHLLOKOSA-N 348.406 2.679 0 50 EFAA O=S1(=O)Cc2c(Cl)cccc2N1CC1([C@H]2CCCO2)CC1 1875396434 HKSHVYFORBMCGJ-CQSZACIVSA-N 327.833 2.949 0 50 EFAA C=CC(=O)N1CCC(C(=O)N=c2cc(C3CCCCCC3)[nH][nH]2)CC1 1875369299 GJVWEHIMKQWMHJ-UHFFFAOYSA-N 344.459 2.633 0 50 EFAA C=CC(=O)N(C)CC(=O)NCc1ccc(C)cc1OC1CCCC1 1875366202 HRATXGYVAFCGSE-UHFFFAOYSA-N 330.428 2.577 0 50 EFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CC(C(C)C)=NO1 952976238 MUTJUBGOQJGLHH-INIZCTEOSA-N 328.416 2.755 0 50 EFAA CC(C)c1nnsc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 952966146 UJFLNSMVUXMIEQ-CQSZACIVSA-N 346.456 2.878 0 50 EFAA Cc1cnc2c(C(=O)Nc3ccc(N4C(=O)CC[C@@H]4C)cc3)cnn2c1 952968594 KOMDSGAPFCDHJZ-ZDUSSCGKSA-N 349.394 2.805 0 50 EFAA CCN1C[C@@](C)(CSc2nnc(-c3ccc(F)cc3)n2C)C1=O 1775993250 XPLMTJAYSNWDBW-INIZCTEOSA-N 334.420 2.582 0 50 EFAA CC1(C)CC(=O)c2sc(NC(=O)C3=C[S@@](=O)CCC3)nc2C1 1464366653 DKNISUJESWAPDV-QFIPXVFZSA-N 338.454 2.663 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(Cc3nnn[nH]3)cc1)CO2 186103758 REZADMAGABRYMV-INIZCTEOSA-N 349.394 2.522 0 50 EFAA c1ccc(N2CC[C@H](CNc3ccc4nnc(C5CC5)n4n3)C2)cc1 301165443 RHVISIZWVVLFBN-CQSZACIVSA-N 334.427 2.940 0 50 EFAA COCCC1(CNc2nnc(Cl)cc2C(N)=O)CCCCC1 274808483 XICJCOFMOSOJHK-UHFFFAOYSA-N 326.828 2.628 0 50 EFAA OCc1cn([C@@H]2CCCC[C@@H]2NCc2cccc3cc[nH]c23)nn1 276355337 XIBHWSHVQVDWPL-DLBZAZTESA-N 325.416 2.525 0 50 EFAA CCC1(CNC(=O)Cc2cccc(N3CCCC3=O)c2)CCOCC1 278934888 FMXZHNUMXXIFBZ-UHFFFAOYSA-N 344.455 2.679 0 50 EFAA CSC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1N 188400991 DVDBWVLXDVFMAH-JTQLQIEISA-N 329.263 2.999 0 50 EFAA CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccco1 188687853 UUKZQDITHSSMIL-UHFFFAOYSA-N 334.441 2.565 0 50 EFAA Cc1ccccc1C1(CNC(=O)[C@H]2CCCO[C@H]2C)CCOCC1 190031793 FJYSMZUETVHJCB-IRXDYDNUSA-N 331.456 2.975 0 50 EFAA CCn1nc(C)cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 650862004 DUWNPRNHUAFUEJ-LJQANCHMSA-N 326.444 2.606 0 50 EFAA C[C@@]1(C(=O)O)CCC[C@@H]1NC(=O)c1ccc(-c2ccccn2)nc1 659243779 WKDHKIGZZRKZMG-MAUKXSAKSA-N 325.368 2.517 0 50 EFAA CCNC(=O)c1ccc(N2CCCOc3c(cccc3OC)C2)nc1 1529145160 BQPMRJUTLFPUGQ-UHFFFAOYSA-N 341.411 2.629 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCCN(Cc2ncc[nH]2)CC1 1529134304 SSRJBAPNIFZHGQ-UHFFFAOYSA-N 346.862 2.730 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4oc(C)cc4c3)C[C@@H]2O)on1 1704347351 BMBVXUSISHOMFQ-WBVHZDCISA-N 340.379 2.713 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccsc2)C[C@H]1O 1704303829 JKXIEIDKTNAYDQ-SJLPKXTDSA-N 331.437 2.628 0 50 EFAA COc1cc(C)c(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(C)c1 1875279111 HEABPSPSHJEKKX-HXUWFJFHSA-N 333.475 2.897 0 50 EFAA Cc1ccc(NC(=O)C[C@H]2CNN(c3ccc(F)cc3)C2=O)cc1 1740818135 FJXOOTKEXHJADR-ZDUSSCGKSA-N 327.359 2.630 0 50 EFAA Cc1ccc(C[C@@]2(CCC(=O)NCC(F)(F)F)CCC(=O)N2)cc1 12329300 BDNDJTOTOTWIMK-MRXNPFEDSA-N 342.361 2.645 0 50 EFAA COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2F)c(F)c1 14996978 GUYWQNUHVPSMSW-UGSOOPFHSA-N 344.361 2.963 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 16623549 LBJRDYZZLPBWBC-UHFFFAOYSA-N 335.381 2.842 0 50 EFAA S=c1n(Cc2ccccc2)ccn1CN1CCC2(CC1)OCCO2 19593756 IOHHGWRBLMAFDR-UHFFFAOYSA-N 345.468 2.864 0 50 EFAA COC(=O)CCCC(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1857735706 HMSKMRLMBIKVOI-SJORKVTESA-N 333.428 2.954 0 50 EFAA C[C@H](c1nnnn1C)N(C)CC1(C)CCN(Cc2ccccc2)CC1 225545263 VDPPDYBHXJGMBK-MRXNPFEDSA-N 342.491 2.505 0 50 EFAA COc1cc(OC)c(C(=O)Nc2cc(C)cc(CN)c2)cc1OC 322874118 ZGYBLGGEHAPQHE-UHFFFAOYSA-N 330.384 2.732 0 50 EFAA Cc1ncsc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 110698363 TVPFAJRZHANJLX-KGLIPLIRSA-N 337.395 2.905 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 634693138 QSNBCWQVINOVAZ-XIRDDKMYSA-N 347.436 2.590 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237630916 MUIOYGKRZYBVIG-XIRDDKMYSA-N 331.412 2.581 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccn(-c2ccccc2)n1 238046175 CJMWYKHVSXSEBX-GOSISDBHSA-N 347.374 2.524 0 50 EFAA O=C(O)CN(C(=O)c1ccc(-c2ccccc2F)o1)C1CCOCC1 238113448 UBXUUUWBMKUHCQ-UHFFFAOYSA-N 347.342 2.792 0 50 EFAA CO[C@@H](C)c1noc(CN2CCC(c3ccccc3CO)CC2)n1 375571339 OLZDVEZFHMEYAA-ZDUSSCGKSA-N 331.416 2.649 0 50 EFAA Cc1cc(O)cc(=O)n1CC(=O)Nc1cccc(OCC(C)C)c1 164421110 GICHQNNMXMQBQU-UHFFFAOYSA-N 330.384 2.536 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCCC[C@H]([C@H]3CCOC3)C2)c1 903962257 MWCQFSBXGCRGBW-XYJFISCASA-N 333.428 2.960 0 50 EFAA O=C(O)C12CC(C(=O)Nc3cccc(OCC(F)(F)F)c3)(C1)C2 908759417 CPVFSRKMUVJXGS-UHFFFAOYSA-N 329.274 2.821 0 50 EFAA COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(C(=O)O)nc1)C2 910338580 PZYCMSYWLCAXRU-ZDUSSCGKSA-N 326.352 2.532 0 50 EFAA Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 827798246 OLHZJNRTNHFAST-PBHICJAKSA-N 347.365 2.836 0 50 EFAA COc1cc(Br)ccc1C(=O)N1CCC[C@@H]([C@H](C)N)C1 127381087 JFGAPSUJCKSBPD-WDEREUQCSA-N 341.249 2.657 0 50 EFAA Cc1nc([C@H](C)NC(=O)Nc2nncc(-c3ccccc3)n2)[nH]c1C 2325731320 DVVODULTUSFOCV-LBPRGKRZSA-N 337.387 2.761 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2nc(C3CCCCCC3)cs2)N1 2325768802 PVYWSDGONGVTEP-NEPJUHHUSA-N 337.445 2.725 0 50 EFAA C[C@@H](Cc1nccn1C)NC(=O)N1CCn2c(cc3ccccc32)C1 2325769185 SIASKGFFFNDYPI-AWEZNQCLSA-N 337.427 2.531 0 50 EFAA Cc1cc(-c2ccccc2)cc(S(=O)(=O)NC2(CCO)CC2)c1 2325789062 FTMXONPCJGGAPJ-UHFFFAOYSA-N 331.437 2.855 0 50 EFAA C[C@H](OC(=O)c1ccccc1CC(=O)C1CC1)C(=O)C1CCOCC1 2325792263 QZPONNJFVCLDNZ-ZDUSSCGKSA-N 344.407 2.749 0 50 EFAA Cn1nccc1C1(O)CCN(Cc2ccc(-c3ncco3)cc2)CC1 2325804104 VKEDONKISDKJOD-UHFFFAOYSA-N 338.411 2.559 0 50 EFAA CC(C)(C)c1cn([C@@H]2CC[C@H](C(=O)N[C@@]34C[C@@H]3COC4(C)C)C2)nn1 2325824449 BFZGGXLBZLMMKX-HLBODDRNSA-N 346.475 2.601 0 50 EFAA C[C@@H](N=c1[nH]cnc2c(-c3ccccc3)nsc12)C1CCNCC1 2325857290 WHPAUPQGUYEAHA-GFCCVEGCSA-N 339.468 2.975 0 50 EFAA C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ncccc1Cl 2325872252 ORXPMMNCTGSSPI-SNVBAGLBSA-N 338.816 2.630 0 50 EFAA C=CC(=O)Nc1cc(C(=O)N2C[C@@]3(C)CSC[C@@]3(C)C2)ccc1O 2325890164 DBCQCHQSQHIFND-HDICACEKSA-N 346.452 2.732 0 50 EFAA C=CC(=O)Nc1ccccc1CC(=O)Nc1ccc2c(c1)CCC(=O)N2 2325894210 RLSPOZBRKKTBES-UHFFFAOYSA-N 349.390 2.877 0 50 EFAA Fc1cccc(Cl)c1Cn1nnc(-c2ccc3c(c2)OCO3)n1 53548 RMCVPFPCKDTWRN-UHFFFAOYSA-N 332.722 2.910 0 50 EFAA COc1cccc([C@H]2C[C@H](c3cccc(F)c3)n3nnnc3N2)c1 222432 ASRBMUQEZSXELU-HZPDHXFCSA-N 325.347 2.967 0 50 EFAA O=S(=O)(CCc1nnc(-c2ccncc2)o1)c1ccc(Cl)cc1 258744 SIBJXAVVUFCRSS-UHFFFAOYSA-N 349.799 2.801 0 50 EFAA O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)OCc1ccccc1 381933 UCVHXIIKDUTUNK-GOSISDBHSA-N 338.407 2.803 0 50 EFAA C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1N 470645 QZNWCSWJOCOBJF-STQMWFEESA-N 345.472 2.541 0 50 EFAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 2057292 PEXFWNKJAYDMNU-MRXNPFEDSA-N 348.399 2.714 0 50 EFAA CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(F)cc1 6697966 LJSKDSMCPCJXCL-UHFFFAOYSA-N 347.371 2.696 0 50 EFAA CN1CCCc2cc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)ccc21 225388739 GDUGHLHWJVMBKK-MOPGFXCFSA-N 337.423 2.849 0 50 EFAA COC(=O)[C@@H](NCC(=O)Nc1nc(C)cs1)c1c(C)cccc1C 225387986 DQNCSXPLWQQUQE-HNNXBMFYSA-N 347.440 2.511 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(F)c(F)c1 10333157 CXFPBTFFSQYQEF-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA COc1ccc(Cc2c(O)nc(S)n(-c3ccccc3)c2=O)cc1 100645024 CQAMRTHKHAPVJJ-UHFFFAOYSA-N 340.404 2.826 0 50 EFAA Cn1nc2ccc(Br)cc2c1I 59856751 XKBDXLWAGSUCLW-UHFFFAOYSA-N 336.958 2.940 0 50 EFAA CCOc1ncccc1CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1 116939486 UEWNIHWFGTWADN-OAHLLOKOSA-N 345.399 2.665 0 50 EFAA CCn1cnnc1CN(C)C(=O)c1csc(Cc2ccccc2)n1 65371286 NMAQIMFNBGCROJ-UHFFFAOYSA-N 341.440 2.618 0 50 EFAA C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)N1CCCC[C@H]1C 117803952 PQQYYKVZVKZQIL-PMPSAXMXSA-N 344.455 2.849 0 50 EFAA COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3C)cn1 65429665 WDTPRHCGNUQTFF-CQSZACIVSA-N 334.379 2.965 0 50 EFAA Cc1ccccc1-c1noc(CCC(=O)N2CCC[C@H](CCN)C2)n1 65372219 SZLZBNDSXXMAOF-OAHLLOKOSA-N 342.443 2.565 0 50 EFAA C[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1cc(F)ccc1F 316255706 HTYGCFOXFGCGCM-SSDOTTSWSA-N 347.364 2.764 0 50 EFAA COc1ccc(O)c([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccn4)c32)c1 65526198 CEVSVJZAIZALMP-LBPRGKRZSA-N 336.351 2.660 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl 122628471 FKAGRDFTWHKIQX-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA CC(C)[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccccc1 122610223 ZMYOPOREFMFREM-ZWKOTPCHSA-N 343.471 2.879 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2ccccn2)C1)c1nc2ccccc2[nH]1 67740550 ICLWHCDVFUIMLU-HNNXBMFYSA-N 349.438 2.600 0 50 EFAA Cc1nn(CCCNC(=O)c2ccc(F)cc2)cc1Br 2796308 UOWMUKPHXURWDX-UHFFFAOYSA-N 340.196 2.913 0 50 EFAA C[C@H]1Cn2c(nc(=O)c3c2NCN([C@@H](C)c2ccccc2)C3)S1 4722138 IGLZKEQCKZPVDB-RYUDHWBXSA-N 328.441 2.684 0 50 EFAA Cc1ccccc1CC(=O)N[C@H](c1ccccc1)c1nnc(N)s1 219412102 PSERWOJWSVXANN-MRXNPFEDSA-N 338.436 2.877 0 50 EFAA CCc1nnc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)[nH]1 253416112 PGFVKXXJQZKHEJ-HNNXBMFYSA-N 332.473 2.750 0 50 EFAA O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](n2cncn2)C1 257365651 DMDDSXRARSSTIP-UPJWGTAASA-N 330.354 2.810 0 50 EFAA Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2CCNC(=O)C2)cc1 156095360 XODCVIZLQMJUNL-OAHLLOKOSA-N 338.407 2.930 0 50 EFAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)C1(Cn2cccn2)CC1 72123815 BNZGWOAFEOXLGJ-GOSISDBHSA-N 344.503 2.824 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)C[C@@H](N)c1ccccc1 72479887 HZOYGNFLBCSSJZ-LJQANCHMSA-N 334.423 2.921 0 50 EFAA CCCc1cc(N(C)CCc2noc(C(C)C)n2)n2nccc2n1 72159327 HMJXYBNGRYBOIT-UHFFFAOYSA-N 328.420 2.867 0 50 EFAA CN1CCC(N(CCc2ccccc2)Cc2cnn3cccnc23)CC1 216268594 JSEOANBSEPHOGR-UHFFFAOYSA-N 349.482 2.868 0 50 EFAA O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2nn[nH]n2)C1 378231559 ROLBGTRSJUGEBM-NSHDSACASA-N 341.346 2.619 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccn(C(F)F)n1 72429358 MXFHBBBYQIXZIE-UHFFFAOYSA-N 331.326 2.736 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(F)cc1 238153344 UVMSZXKFXDACSJ-AEFFLSMTSA-N 343.354 2.772 0 50 EFAA Cc1c2c(cc(Br)c1OC[C@](C)(O)CO)CCCC2 71766970 VLLDDYNANOKIHU-OAHLLOKOSA-N 329.234 2.758 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCc2csc(N)n2)[C@@H](C)C1 77505948 HCVTWUHWDRKSBN-AWEZNQCLSA-N 344.484 2.704 0 50 EFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)cn2)C1 379222488 QGHNPOVSRLFRED-WPRPVWTQSA-N 341.255 2.595 0 50 EFAA COc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)cc1OC 284783840 YKNHTRRCCOWHDN-ZACQAIPSSA-N 335.444 2.720 0 50 EFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCO2 215510349 YBLRQFYGKHGQGD-OAHLLOKOSA-N 325.364 2.581 0 50 EFAA Cc1c(C)c(C)c(CNC(=O)N2CCO[C@H](CN(C)C)C2)c(C)c1C 131127597 ARFBVGYNOOJFIV-GOSISDBHSA-N 347.503 2.701 0 50 EFAA CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]c2)CC1 174470934 BHOSDJQQFJBTBO-INIZCTEOSA-N 334.370 2.597 0 50 EFAA O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CCN(c2ncccn2)CC1 241969515 UWXPWQCZFFLDLX-GVDBMIGSSA-N 328.460 2.732 0 50 EFAA CC(C)(C)c1ccc2c(c1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CC2 456011875 SMYSKYJJGPZLOF-AWEZNQCLSA-N 328.456 2.785 0 50 EFAA CN(Cc1ncc(C2CC2)o1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 286691441 HUYXMGRUIXBBCZ-HNAYVOBHSA-N 343.475 2.800 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](CN)C2)c2cc(Br)ccc2n1 178527347 OUOUGJXLHNVHGL-NSHDSACASA-N 348.244 2.727 0 50 EFAA C[C@@H]1N(C(=O)CCc2ccc(C(=O)O)cc2)CCC12CCOCC2 263564557 DZZXTZKJNFMREE-AWEZNQCLSA-N 331.412 2.735 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 176732303 CXPJHMJPFNADNQ-QMTHXVAHSA-N 335.367 2.805 0 50 EFAA CCN1C[C@H](NC(=O)C2(c3ccccc3)CCCCC2)[C@@H](OC)C1 223335581 MNEDQZAQHNKMPA-ROUUACIJSA-N 330.472 2.724 0 50 EFAA CNCc1nnc(SC[C@H]2CCOC2)n1-c1cccc(Cl)c1 426361840 UZYXNXWRXJBMQH-NSHDSACASA-N 338.864 2.769 0 50 EFAA NC(=O)C1(NC(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCCC1 426737556 USIXCHJCSBNPOF-UHFFFAOYSA-N 348.406 2.758 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H](C)n2ccnc2)cc1N1CCCC1=O 97446980 PSPFETBEJAWCHG-CQSZACIVSA-N 341.415 2.701 0 50 EFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1cnc(C2CC2)nc1C 97527358 PFQLYGBJYGDQSZ-KRWDZBQOSA-N 341.411 2.564 0 50 EFAA Cc1nc(-c2cnc(C(C)C)[nH]c2=O)n(C2Cc3ccccc3C2)n1 96138359 JFTCZBVCEPDSOV-UHFFFAOYSA-N 335.411 2.800 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN(CC2CC2)C1 97711631 WSJFAWIXBLDYCK-INIZCTEOSA-N 328.412 2.661 0 50 EFAA C[C@@H](NC(=O)CCCN1CCCCC1)c1nncn1C1CCCC1 95388361 KIAUANXDVPBUMV-OAHLLOKOSA-N 333.480 2.837 0 50 EFAA Cc1sc(NC(=O)Cn2cnc3snc(C)c3c2=O)c(C)c1C 294885483 AOXGZZGEBGBUMV-UHFFFAOYSA-N 348.453 2.787 0 50 EFAA C[C@H](Cn1cccn1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 95357373 PJVFINURGWKDSL-OAHLLOKOSA-N 341.459 2.532 0 50 EFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cn1 238219338 AGLQVTDXECGGAD-OAHLLOKOSA-N 343.770 2.642 0 50 EFAA O=C(NCCNc1cccnc1)c1ccc(CN2CCCCC2)cc1 95379441 SRSVPAARHBULIS-UHFFFAOYSA-N 338.455 2.909 0 50 EFAA Cc1nc(N)nc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C 91575482 OCZUTJJRRXAFST-GFCCVEGCSA-N 331.807 2.546 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 91895342 KKCFXAKODNNRSB-CQSZACIVSA-N 337.427 2.700 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(CCC(=O)NCc2cccs2)C1 244574920 CTPYWBSBBMOEDH-LJQANCHMSA-N 344.480 2.656 0 50 EFAA COc1ccc([C@@H](NC(=O)c2c(F)cccc2F)[C@H]2C[C@@H](O)C2)cn1 244794778 QTINPRPPOZDUOT-BWACUDIHSA-N 348.349 2.610 0 50 EFAA NC(=O)c1ccc2nc(CN3CCC[C@H]3c3ccccn3)cc(O)c2c1 253536292 CSXKWQLLKDOBBS-SFHVURJKSA-N 348.406 2.771 0 50 EFAA O=C(NCCc1cccnc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299787942 UGJWCUGHJWLAGP-ZCNNSNEGSA-N 335.451 2.966 0 50 EFAA CCc1nccn1CCC(=O)N[C@@H](c1ccccn1)C(F)(F)F 823557380 OYLKVEBGRYDNRZ-AWEZNQCLSA-N 326.322 2.650 0 50 EFAA Cc1ccccc1OC[C@@H](O)C(=O)NCCCc1ccccc1F 827627303 ZICBBDCPUWKSFQ-QGZVFWFLSA-N 331.387 2.623 0 50 EFAA CCNc1ccnc(NC[C@H]2CCN(c3cccc(Cl)c3)C2)n1 584884160 GWAFLYPOLUFFQZ-CYBMUJFWSA-N 331.851 3.500 0 50 EFAA CSc1ncc(CNC(=O)c2cc(C)c3nc(N)sc3c2)n1C 670441945 FXSUITVVSSZZQR-UHFFFAOYSA-N 347.469 2.572 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@]2(CO)CC(C)C)cc1 1297387630 DXWPUSCNSBSQCK-LJQANCHMSA-N 330.428 2.824 0 50 EFAA CC(=O)NCc1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1 1875275117 ZXXWUNSHGPESAD-UHFFFAOYSA-N 332.360 2.720 0 50 EFAA C[C@@H](NC(=O)Cn1cc(C(=O)O)cn1)c1ccc(C(F)(F)F)s1 1875272670 IVCLRSIQHJTCGA-SSDOTTSWSA-N 347.318 2.539 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(C)c3)C2)C1 1875358241 OGRJVZIKBCWHSV-PKOBYXMFSA-N 344.503 2.699 0 50 EFAA Cn1nc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c2ccccc2c1=O 885229238 OMCDWOYNKRSPCC-RHSMWYFYSA-N 337.423 2.584 0 50 EFAA Cc1nnc(CN2CCCN(C(=O)Oc3ccccc3)CC2)s1 271458100 SWZKOWWLTSURNY-UHFFFAOYSA-N 332.429 2.553 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@@H](CN2CCCC2)c2ccccc2)C1 408518031 SGPKAARTAWJHSF-HKUYNNGSSA-N 330.472 2.751 0 50 EFAA CN(C)C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 169897315 MHXWIGCNONRZNQ-UHFFFAOYSA-N 343.349 2.581 0 50 EFAA COCCC1(C(=O)Nc2ccc(C)c(-n3nnnc3C)c2)CCCC1 170665040 HORMITAFBFOMON-UHFFFAOYSA-N 343.431 2.815 0 50 EFAA CC[C@H](NC(=O)c1cccc2c1OCC2(C)C)[C@@H](O)C(F)(F)F 279677005 HDYDWPLFHIAPPE-WCQYABFASA-N 331.334 2.788 0 50 EFAA Cc1cccnc1[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)C(C)C 738322672 XFNMGVJQJNBGCO-HNNXBMFYSA-N 348.424 2.764 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCOc2ccc(C)c(C)c2)C1 644117805 PTCGGBKOWNYBAA-SJORKVTESA-N 343.427 2.784 0 50 EFAA CC(C)N(C)c1ccc(CN2CCO[C@H](c3nccs3)C2)cn1 191305663 SENWPQFYIAFUQO-HNNXBMFYSA-N 332.473 2.956 0 50 EFAA CCc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C)C3)CC2)s1 1529100722 XQVNHOATZGDNQR-INIZCTEOSA-N 349.544 2.687 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1CC2CCN1CC2 1775981454 DSGSCTYCUAFNTB-KRWDZBQOSA-N 342.418 2.659 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 12075357 YVBQCCIIESICAT-KRWDZBQOSA-N 347.507 2.805 0 50 EFAA O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 12403801 ZRZCMDUNVSKCAE-UHFFFAOYSA-N 332.400 2.896 0 50 EFAA CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O 12654786 PDGOLSYMTUHGLT-UHFFFAOYSA-N 329.809 2.562 0 50 EFAA Cn1cnc2cc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cnc21 159686131 FGEFIEDZSKWTRO-SFHVURJKSA-N 349.438 2.535 0 50 EFAA Cc1ccc(C=CCC(=O)NC(C)(C)c2noc(CN(C)C)n2)cc1 1857532249 KEAFNJNKCBKGRE-UHFFFAOYSA-N 342.443 2.894 0 50 EFAA OC[C@@H]1CCCN(CCn2ccnc2-c2ccc3cccnc3c2)C1 1857684810 FAASAUVFVQEOQC-MRXNPFEDSA-N 336.439 2.803 0 50 EFAA Cn1ccc2c(C(=O)N3C[C@H](c4cccnc4)[C@@H](C(=O)O)C3)cccc21 219783919 WMIUJUFDBKNKFQ-SJORKVTESA-N 349.390 2.514 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1 238197783 QIZSGXZGKNPYQW-OAHLLOKOSA-N 340.379 2.746 0 50 EFAA COc1cc(CC(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1C 655118344 CBHWUUGXLWYCRA-KRWDZBQOSA-N 341.455 2.932 0 50 EFAA CCCCCOCC(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 368817704 OGSHUJVJVAICGI-SFHVURJKSA-N 345.443 2.841 0 50 EFAA Oc1nc2c(-c3nc(Cn4cnc5ccccc54)no3)cccc2o1 904738977 PVGDYTJKLAPJQS-UHFFFAOYSA-N 333.307 2.981 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3coc(-c4ccccc4)n3)C[C@@H]12 1704340203 PWGSNKYVNSQZGL-UYAOXDASSA-N 341.455 2.620 0 50 EFAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1coc2c1C(=O)NCCC2 906880591 UKKOZLXFEMXOIT-HNNXBMFYSA-N 341.411 2.662 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC[C@H](N2CCCC2=O)C1 932525359 HCFUTYGGXPMTGR-SFHVURJKSA-N 349.434 2.976 0 50 EFAA Cc1cc(-c2noc(CC[C@H]3CCCNC3)n2)ccc1-n1cncn1 857254349 ANOITUWUMKECLP-CQSZACIVSA-N 338.415 2.558 0 50 EFAA Fc1cc(F)cc([C@H]2CCCN2c2ccnc(N[C@@H]3CCNC3)n2)c1 2325798182 STLZTICOOMHBBJ-HZPDHXFCSA-N 345.397 2.870 0 50 EFAA O=C(Nc1cc(Oc2ccccc2)ccc1O)c1nsnc1O 2325851872 LPNTZZVKFCQEQJ-UHFFFAOYSA-N 329.337 2.994 0 50 EFAA O=S1(=O)Cc2ccccc2[C@@H](Nc2ncc3ccccc3n2)C1 2325865525 GMOCNYQXZRYRLX-INIZCTEOSA-N 325.393 2.711 0 50 EFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1ccnc(O)c1 2332239211 RMEAAWXUCFXARN-UKRRQHHQSA-N 329.404 2.643 0 50 EFAA CCOc1ccc(OC[C@H](O)CN(C)c2nc3ccccc3[nH]2)cc1 151911628 ALXRDAVITGIXHK-CQSZACIVSA-N 341.411 2.838 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccc(Cl)cc1 73697 GEFYLDGSJPDPDR-AWEZNQCLSA-N 336.775 2.790 0 50 EFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 101240 MEHQMPINKUDSDE-UHFFFAOYSA-N 336.844 2.851 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccccc2)c1 121420 UKENLOPCRVYLCN-UHFFFAOYSA-N 328.324 2.904 0 50 EFAA CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1 310376 QARNENQDIHRPLH-UHFFFAOYSA-N 349.408 2.674 0 50 EFAA COC(=O)CNC1=N[C@@](OC)(c2ccc(Cl)cc2)c2ccccc21 2168140 WUQNYWYHZDGBCX-GOSISDBHSA-N 344.798 2.710 0 50 EFAA Cc1c(Cl)cccc1NC(=S)NCCCN1CCCC1=O 2743539 MIDHRMRGGZFKHE-UHFFFAOYSA-N 325.865 2.947 0 50 EFAA O=C(COc1ccccc1F)NC1CCN(Cc2ccccc2)CC1 3209347 LDXFMFNFVSUJAQ-UHFFFAOYSA-N 342.414 2.985 0 50 EFAA CC(C)CN1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO 104837818 NZDYMXSHWJOHML-LJQANCHMSA-N 348.535 2.982 0 50 EFAA Cc1csc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 8246197 DBSDHTXIJSEWNS-ZDUSSCGKSA-N 347.415 2.620 0 50 EFAA CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1 9331008 YOIJPHHPXYHESV-SNVBAGLBSA-N 335.816 2.630 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2CCOc2ccc(Cl)cc2)n1 346493309 LQFNEPFRRWIECK-ABAIWWIYSA-N 337.807 2.872 0 50 EFAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc2ncnn12 346501984 UUQQUOGYZBXPSR-UHFFFAOYSA-N 329.363 2.967 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2F)[nH]n1 67674668 FPIMLIMXWBYRDQ-UHFFFAOYSA-N 326.331 2.975 0 50 EFAA Cc1nc(CNC(=O)CCN2CCCCCCC2)nc2c1CCCC2 63847438 ZTQVMIRXMYGCDO-UHFFFAOYSA-N 344.503 2.936 0 50 EFAA Cc1cccc(CNC(=O)N2CCC3(CCNC(=O)CC3)CC2)c1 67885117 DBOGWBRWFNOZSJ-UHFFFAOYSA-N 329.444 2.587 0 50 EFAA Cc1cnccc1-n1nc(C(C)C)nc1-c1nc2ccccc2[nH]c1=O 67673359 CGGFPHQHRPLECY-UHFFFAOYSA-N 346.394 2.998 0 50 EFAA O=C([C@H]1CCCO1)N1CCC(NCc2csc3c2CCCC3)CC1 67754376 HEWDQQODXSLWOK-QGZVFWFLSA-N 348.512 2.887 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N(C[C@@H](O)c1ccccc1)C1CC1 252476812 CBLGPKFNYPDEPB-MKXGPGLRSA-N 344.455 2.852 0 50 EFAA C[C@@H]1CCCCN1C[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 252486073 DPFUMKZJGLTWBJ-HUUCEWRRSA-N 340.475 2.698 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2F)c1 6328480 OPJMPEQFRIBWME-UHFFFAOYSA-N 325.361 2.952 0 50 EFAA COc1ccc(C2=NO[C@H](C(=O)N3CCCC[C@H]3C)C2)cc1OC 6738544 HZMUIEZTYIMFKG-PXAZEXFGSA-N 332.400 2.598 0 50 EFAA C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)c1ccccc1 38962017 GJNOPHQRRSWYJP-WBAXXEDZSA-N 339.391 2.946 0 50 EFAA C[C@@H](O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 282404902 QMKGGECZKVOWMU-VSBTWAGUSA-N 341.810 2.786 0 50 EFAA COCCCN1C[C@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O 77471494 OGHCFAFHWOSNQH-LJQANCHMSA-N 331.460 2.636 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@H](OCc3ccccn3)C2)cs1 72422353 LCYFMBJHLWURFK-INIZCTEOSA-N 331.441 2.597 0 50 EFAA O=C(Cc1noc2ccccc12)NC[C@@H]1CC(=O)N(c2ccccc2)C1 216431855 UNAZETJYWPAJBZ-AWEZNQCLSA-N 349.390 2.540 0 50 EFAA Cn1c(=O)c(C(=O)NCCSC(F)(F)F)cc2ccccc21 215570502 IAEGATQNJUCVFH-UHFFFAOYSA-N 330.331 2.521 0 50 EFAA Cc1cc2ccccc2nc1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 375227900 HJWPWFGQDJQSCO-FUHWJXTLSA-N 339.439 2.650 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCOc2ccccc21 238033320 UDCFGRRYUSBLRH-IAGOWNOFSA-N 337.375 2.591 0 50 EFAA CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 71589779 VUPIJGKTIBAAKS-KRWDZBQOSA-N 344.386 2.851 0 50 EFAA CC(C)NS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 287334345 GLRVJYJSGGORGM-UHFFFAOYSA-N 339.436 2.729 0 50 EFAA COc1ccc(CN[C@@H]2CCC(=O)NC2(C)C)c(C(F)(F)F)c1 495080346 CJWRHGDVPVFHBF-CYBMUJFWSA-N 330.350 2.861 0 50 EFAA CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1ccc(F)nc1)CC2 496219266 QUZHGOPMXOWREL-UHFFFAOYSA-N 349.406 2.836 0 50 EFAA C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)CCN1C(=O)c1cscn1 453570067 CBYJRVJWORZJOF-LBPRGKRZSA-N 347.488 2.510 0 50 EFAA CCc1ccc(CCN2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc1 285087924 YKMABMJGKNPYLD-LJQANCHMSA-N 328.460 2.557 0 50 EFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1nnnn1C1CC1 285260101 BDQNUQCCAMURDE-CJNGLKHVSA-N 327.432 2.990 0 50 EFAA C[C@@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 285245141 UKALAFZOKOZUKS-LURJTMIESA-N 345.726 2.500 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COc2cccc(C)c2)c1 337512067 MQEMJDYQXBPDKG-VQIMIIECSA-N 341.407 2.717 0 50 EFAA CC(=O)Nc1cccc(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 241926448 UGGWWYDKERMTDK-GFCCVEGCSA-N 349.431 2.630 0 50 EFAA O[C@H](CN1CC[C@@H](OCc2ccncc2)C1)c1c(F)cccc1F 287846845 QYDLWEHEDWGKIW-RHSMWYFYSA-N 334.366 2.684 0 50 EFAA Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 17068529 UZPXNAPDMQDTIN-UHFFFAOYSA-N 333.335 2.857 0 50 EFAA C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 263432704 KZLOLSYDAYUTFR-DYVFJYSZSA-N 345.370 2.747 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Nc2cccc(OCc3cccnc3)c2)C1 263515096 ZJQGDNAKLOEPMJ-CQSZACIVSA-N 341.367 2.599 0 50 EFAA Cc1cc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc(C)c1Cl 222324925 QGQDKOATNVCHBW-SOUVJXGZSA-N 327.852 2.806 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)CN1CCC[C@@H](c2ccnn2C)C1 229219564 XTUKGZNOWMSTGG-HUUCEWRRSA-N 346.500 2.881 0 50 EFAA Fc1ccc(-n2nc(-c3ccccc3)nc2C[C@@H]2CNCCO2)cc1 96139690 HMESMIPUFIAJOK-QGZVFWFLSA-N 338.386 2.604 0 50 EFAA O=C(CCNc1nccc(-c2ccccn2)n1)NC1CCCCC1 97632110 IWEBYUGLBVGJBV-UHFFFAOYSA-N 325.416 2.790 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)NCCNc1cccnc1 96161907 PREJDDMBMZOOQN-UHFFFAOYSA-N 338.436 2.976 0 50 EFAA Cc1nn(C)c2nc(N3CCC(O)(Cc4ccccc4)CC3)sc12 95528029 LJKPDTXZEJPZSE-UHFFFAOYSA-N 342.468 2.912 0 50 EFAA CCCCS(=O)(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 97729466 KSTWGVZBOJTPBK-UHFFFAOYSA-N 337.420 2.704 0 50 EFAA O=C(NCc1cnn2cccnc12)c1ccc([C@@H]2CCCO2)s1 92036923 VVZXQOUCPQCXPQ-LBPRGKRZSA-N 328.397 2.572 0 50 EFAA C[C@H](Cc1cnccn1)NCc1cc(=O)c2cccc(Cl)c2[nH]1 91434282 QWGHNVHVKSTQCN-LLVKDONJSA-N 328.803 2.692 0 50 EFAA C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1nnc(C2CC2)s1 244763897 OXHRQLVEHDIPJL-NSHDSACASA-N 331.445 2.832 0 50 EFAA Cc1cccc(-c2cccc(C(=O)N[C@H]3C[C@@H](C(=O)O)N(C)C3)c2)c1 244787708 QCCXDRUCLKTPFL-ROUUACIJSA-N 338.407 2.549 0 50 EFAA C[C@@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1 534650128 PNHZFLGJBZJNTJ-HNNXBMFYSA-N 331.460 2.766 0 50 EFAA CCc1ccccc1OC1CN(Cc2cc(=O)n3ccccc3n2)C1 299775958 LSGUQIMPYOEPDS-UHFFFAOYSA-N 335.407 2.520 0 50 EFAA Cc1ncc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)n1 268776097 NYCSICBKXUXGGV-KBPBESRZSA-N 341.459 2.564 0 50 EFAA O=C(COCC(F)(F)C(F)F)NCc1cc(-c2ccccc2)no1 299772498 ZXCYSYDVJKOWRO-UHFFFAOYSA-N 346.280 2.875 0 50 EFAA CN(CC1(CO)CCOCC1)C(=O)c1cccc(-c2nccs2)c1 299787608 OAMKPUQMRSUFFM-UHFFFAOYSA-N 346.452 2.671 0 50 EFAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2ccccc2F)no1 299773045 DAGBFKMWPSEHOI-OLZOCXBDSA-N 329.375 2.581 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)c2ccc3c(c2)CCCO3)no1 584904192 HDOFMCJRMXGITN-UHFFFAOYSA-N 329.400 2.833 0 50 EFAA Cc1oc(-c2ccc(F)cc2)nc1CNC(=O)N1CCC[C@@H]1C(=O)O 1875299119 ZWQHFZJENAEOEM-CQSZACIVSA-N 347.346 2.548 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320095 GPOJSELYUAXPGB-OAHLLOKOSA-N 342.317 2.915 0 50 EFAA N=c1nc2c(c[nH]1)CCN(C(=O)c1ccc3c(c1)oc1ccccc13)C2 1875341839 KGHNTRWZVJPYTQ-UHFFFAOYSA-N 344.374 2.987 0 50 EFAA C[C@@]1(c2ccc(Nc3nccc(=N[C@@H]4CCNC4)[nH]3)cc2)CC1(F)F 1875329411 UXIQPYCMTWZPHN-PBHICJAKSA-N 345.397 2.713 0 50 EFAA N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N=c1[nH]cnc2c(-c3ccccc3)nsc12 1875341628 AFGHACDVYZDMQY-DGAVXFQQSA-N 337.452 2.713 0 50 EFAA C[S@@](=O)c1cccc(NS(=O)(=O)c2cccc3ccncc23)c1 1875317131 OJZNMPQPGZOUHL-JOCHJYFZSA-N 346.433 2.773 0 50 EFAA CN1N=C(C(=O)N2CCCC[C@@H]2CCc2cccs2)CCC1=O 952970062 NWTOFCCPEBSWBT-CYBMUJFWSA-N 333.457 2.670 0 50 EFAA CC[C@H](C)Cc1nc(CCc2n[nH]c(C)c2C)n(CC(C)(C)O)n1 952872151 HVGQFNAVZFLBSD-LBPRGKRZSA-N 333.480 2.763 0 50 EFAA CC(=O)c1cc(CN2CCC[C@H](C(=O)c3ccccn3)C2)n(C)c1 952981918 PUTAYCGVJGVLIY-HNNXBMFYSA-N 325.412 2.718 0 50 EFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ncccc2Cl)C3)n1 888098391 KCWQVYYJFMTNFL-ZBEGNZNMSA-N 332.791 2.620 0 50 EFAA CC(C)c1nnsc1C(=O)Nc1cc(-c2ccncc2)nn1C 1337225659 PEOYKIBHGQSUTM-UHFFFAOYSA-N 328.401 2.709 0 50 EFAA Cn1c(Cc2cccc(O)c2)nnc1N1CCc2sccc2C1 1338366366 IWNDSRDLGSTOCR-UHFFFAOYSA-N 326.425 2.736 0 50 EFAA COc1ccc([C@@H]2CN(c3ncncc3Cl)CCO2)cc1OC 1775294901 AZSXDOBLHSSYOF-HNNXBMFYSA-N 335.791 2.725 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@]12CCCO2 273793875 BXTCMZUPNFYNHN-QWFCFKBJSA-N 342.439 2.943 0 50 EFAA COc1ccccc1/C=C/CN[C@H]1CCCO[C@@H]1c1cnn(C)c1 275669554 VMQPNRYDCGDMRO-MGFNVVHASA-N 327.428 2.952 0 50 EFAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1nccn2cnnc12 275827516 NTDYYKCPPSEVKY-SMDDNHRTSA-N 329.791 2.744 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccon2)CC1 276000681 PNZXBWFJMNQLIR-HNNXBMFYSA-N 329.404 2.588 0 50 EFAA CCS(=O)(=O)c1ccccc1N[C@H]1CCO[C@@]2(CCSC2)C1 276386624 ZXVXPYWVEBXCNK-BBRMVZONSA-N 341.498 2.947 0 50 EFAA O=C(NS(=O)(=O)Cc1cccc(Cl)c1)C1CC2(CCC2)C1 408493806 BGBURQDHLYQRAU-UHFFFAOYSA-N 327.833 2.866 0 50 EFAA C[C@H](CC(=O)N(CCN(C)C)Cc1ccsc1)c1cnn(C)c1 412413229 FNXZMBVMTUTCKF-CQSZACIVSA-N 334.489 2.566 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 170904415 PHTUDCHJCHJQAG-MRXNPFEDSA-N 333.819 2.823 0 50 EFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@H](Nc2ccccc2)C1 279757304 DNDBCDFNQPPQDC-RBUKOAKNSA-N 343.471 2.784 0 50 EFAA O=C(NCC1CCOCC1)N1CCC[C@H]1c1cccc2c1OCCO2 171323602 GILFPMZQDHQMMU-INIZCTEOSA-N 346.427 2.731 0 50 EFAA O=C(c1ccccc1Cl)N1CCC(N[C@H]2CCCC[C@@H]2O)CC1 187887209 LYPMLMLPSGFJGG-IRXDYDNUSA-N 336.863 2.838 0 50 EFAA CC1(C)Cc2cccc(S(=O)(=O)NCC[C@H]3CCCCO3)c2O1 192648599 VMRKKHLSPCHXLD-CQSZACIVSA-N 339.457 2.638 0 50 EFAA CN(C)c1ncc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1Cl 655040343 RHADTFCCCTVAPT-JTQLQIEISA-N 349.822 2.670 0 50 EFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)Nc2cnn(CC)c2C)C1(C)C 1506429075 UPNOZFCJMMYPLS-ACJLOTCBSA-N 334.464 2.729 0 50 EFAA CCc1ccccc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529141945 ADNPOMQOWFVZER-RTBURBONSA-N 325.408 2.824 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)NC2CCCCC2)C[C@@H]1c1ccc(C)cc1 216295020 XDIPTTQRJYYQHF-MOPGFXCFSA-N 343.471 2.941 0 50 EFAA CCCOc1ccccc1-c1nnc(NCc2nnc3n2CCC3)o1 1772701827 OYRUDASKRNERHH-UHFFFAOYSA-N 340.387 2.675 0 50 EFAA O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)s1 1775973531 JBDBYXDGWTYYHN-RYUDHWBXSA-N 348.855 2.865 0 50 EFAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cnn(C)c2)CC1 12432590 ZQCQNAAVFIZEOB-UHFFFAOYSA-N 341.455 2.808 0 50 EFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12573636 ACCYUCOGBPVYDW-QGZVFWFLSA-N 337.895 2.828 0 50 EFAA O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 13944149 FFCSLPWSINAZII-CYBMUJFWSA-N 330.384 2.505 0 50 EFAA COc1ccc(-c2nc(CN3CCC[C@H]3C(N)=O)c(C)o2)c(C)c1C 15075308 MMGROMJSUURADL-INIZCTEOSA-N 343.427 2.725 0 50 EFAA COc1ccc(S(=O)(=O)CC(=O)N2CCCC2(C)C)c(Cl)c1 1857530263 UZJVEARKWTXZPB-UHFFFAOYSA-N 345.848 2.523 0 50 EFAA Cc1cnccc1[C@@H](C)Nc1cnn(Cc2nnc3n2CCCC3)c1 1857532360 BYMUAAYRQVLINP-CQSZACIVSA-N 337.431 2.736 0 50 EFAA c1ccc(-c2nc([C@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)cc1 1857682404 PBUZDHJEGKPKJL-HNNXBMFYSA-N 343.394 2.651 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857724757 BJKRHTINIHYOBR-HLLBOEOZSA-N 336.863 2.876 0 50 EFAA O=C(NC[C@H]1[C@H]2CN(CC3CCC3)C[C@]23CC[C@H]1O3)c1cccs1 1857738553 NGPYQTIKRLZVTB-WFXMFSGNSA-N 346.496 2.757 0 50 EFAA Cn1cc([C@@H]2CCN(C(=O)NCCOc3ccc(Cl)cc3)C2)cn1 116412577 VSGVSFKBHGXYAW-CYBMUJFWSA-N 348.834 2.651 0 50 EFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1c1cccs1 328685462 FQBKZQVEQJHLMZ-OLZOCXBDSA-N 327.471 2.627 0 50 EFAA Cc1nc(S[C@H]2CCN(C3CCOCC3)C2=O)c2ccccc2n1 241326156 LZQKMQCENAXYPW-INIZCTEOSA-N 343.452 2.810 0 50 EFAA Cc1cc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@H](C)O)c(C)s1 248718051 LFWSAVMKNXSMDL-JKOKRWQUSA-N 326.462 2.607 0 50 EFAA O=C(c1ccc2nccn2c1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348268760 TYLBZXWFWWLVOE-CJNGLKHVSA-N 343.333 2.561 0 50 EFAA CCn1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 249692814 NFDOGSSKVRYNIJ-MOPGFXCFSA-N 338.455 2.526 0 50 EFAA CC(C)Cc1nnc2n1CCN(C(=O)c1ccc(F)c(Cl)c1)C2 252536878 JSCMOHROBAVLOT-UHFFFAOYSA-N 336.798 2.925 0 50 EFAA NC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H]1c1ccccc1 261738779 MMFVGIHDGOGQSJ-SJORKVTESA-N 348.406 2.551 0 50 EFAA CCc1cc(C(=O)N2CCC(c3ccccc3C(=O)O)CC2)n[nH]1 372646512 AGLBVHFARUXVPN-UHFFFAOYSA-N 327.384 2.690 0 50 EFAA C[C@](NC(=O)c1cc2c(s1)CCOC2)(C(=O)O)c1ccc(F)cc1 263060933 BGBLITNCPUGYMV-QGZVFWFLSA-N 349.383 2.690 0 50 EFAA COc1cccnc1CNC[C@H](O)c1ccccc1C(F)(F)F 819356478 DSKWNBJTDMNLJL-AWEZNQCLSA-N 326.318 2.932 0 50 EFAA COc1ccc(-c2nc(C3(NC(=O)OC(C)(C)C)CC3)no2)cn1 903498278 BREBVWINIGFVAM-UHFFFAOYSA-N 332.360 2.654 0 50 EFAA CC(C)[C@@H]1N(C(=O)C[C@H]2SC(=N)NC2=O)CC12CCCCCC2 827994575 SENHQASLOYRJQN-OCCSQVGLSA-N 337.489 2.750 0 50 EFAA Cc1cn2c(=O)cc(CN[C@H](C)c3nc(C(C)(C)C)no3)nc2s1 1262258820 UCHOQAIXDFCIJN-SNVBAGLBSA-N 347.444 2.596 0 50 EFAA Cc1cnc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)c(C)c1 843992584 XKRNQQUKPCHBKK-CQSZACIVSA-N 338.411 2.719 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2cccnc2)n2nc(C)nc2N1 18156236 JIPFUFUUCZPYJH-HNNXBMFYSA-N 327.388 2.614 0 50 EFAA C[C@]1(O)CCC[C@H]1NC(=O)CCn1c(C2CC2)nc2ccccc21 2325770100 CMICLBAGDXWGEQ-APWZRJJASA-N 327.428 2.724 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)c2cc(-c3ccccc3F)[nH]n2)[nH]1 2325856809 DDMLIMGJVFVZAX-UHFFFAOYSA-N 327.363 2.912 0 50 EFAA COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 574234 MZCZUVNXPKWRKR-UHFFFAOYSA-N 342.380 2.871 0 50 EFAA Cc1cc(N)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)n1 2947801 PQDHJSKHHZLSRJ-UHFFFAOYSA-N 345.380 2.802 0 50 EFAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1nccs1 2356149769 AULOQQCBMNNHDW-GOSISDBHSA-N 342.468 2.695 0 50 EFAA COc1cccc(F)c1C(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356157799 RHPAQAFFGRWMQR-IBGZPJMESA-N 348.418 2.840 0 50 EFAA CCc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC=CCC3)C2)ncn1 246550024 JFWCZUHYUSQMLR-WBVHZDCISA-N 343.475 2.663 0 50 EFAA Cc1ccc(C(=O)N/C(=C\c2ccco2)c2nnc(S)[nH]2)cc1 4892037 YBIYFFXYDYFWSA-LCYFTJDESA-N 326.381 2.923 0 50 EFAA CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 225512000 PFWALZPAKUIDHR-IJEWVQPXSA-N 336.501 2.756 0 50 EFAA C[C@H]1CN(C(=O)c2ccnn2C2CCCC2)CCN(C2CCC2)C1 344704389 WHCLHHXKJQVIJD-OAHLLOKOSA-N 330.476 2.945 0 50 EFAA CC(C)c1cc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)n(C)n1 65536658 OYDDXCMOTZHELR-LJQANCHMSA-N 345.418 2.771 0 50 EFAA COc1ccc(CN[C@H](C)C(=O)Nc2nccs2)c(F)c1F 65409246 CQAPAYZYSKQJQD-MRVPVSSYSA-N 327.356 2.547 0 50 EFAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)CCn1nnc2ccccc21 65397538 UQLFGRYRGFOYQZ-ZDUSSCGKSA-N 338.415 2.936 0 50 EFAA O=C(CCc1ccncc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 69396753 KJDXCEKGNWZAJK-MRXNPFEDSA-N 327.403 2.796 0 50 EFAA Cc1noc(C)c1CN[C@@H](C)COc1ccc2ccc(=O)oc2c1 67822087 MDEJNEDRAFUPFB-NSHDSACASA-N 328.368 2.955 0 50 EFAA Cc1nnc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)nc1C 431479874 YPRIWJXFTCZALP-UHFFFAOYSA-N 337.471 2.981 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn(C)n2)cc1 77407756 XLKYXHPXWQVZLV-SFHVURJKSA-N 326.444 2.849 0 50 EFAA Cc1nn(C)cc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 172759689 UAEHVFYFOHBSPD-UHFFFAOYSA-N 333.823 2.632 0 50 EFAA Cc1nnc2n1CCN(C(=O)Nc1ccccc1N1CCCCC1)C2 363524575 XYHKGFMZIFOGNA-UHFFFAOYSA-N 340.431 2.625 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc3c2OCO3)C1 368052045 SHMWLBJLLJNPOP-OAHLLOKOSA-N 330.384 2.811 0 50 EFAA Cn1ccnc1[C@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 368435307 RTFGGTUGLGQPRD-OAHLLOKOSA-N 326.400 2.724 0 50 EFAA COc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 36047210 WWHFQRGCCRXFNB-JLSDUUJJSA-N 342.439 2.982 0 50 EFAA COC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccnn1C 72435997 NQCFNXPMZXXGAH-MRXNPFEDSA-N 348.410 2.929 0 50 EFAA O=C1[C@H]2CCCCCN2C(=O)N1Cc1ccccc1Cn1ccnc1 372937628 WZZQZBVHJFCVIH-QGZVFWFLSA-N 338.411 2.638 0 50 EFAA CCOC(=O)c1ccccc1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 71497588 GPXWVUQJSRFMLA-GFCCVEGCSA-N 346.305 2.658 0 50 EFAA O=C(NCc1ccc(OC2CCCC2)nc1)N[C@H]1CCO[C@H]1C1CC1 378293133 MWRCCKAIHOQVQK-WMZOPIPTSA-N 345.443 2.770 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc3cc(O)ccc3c2)C1 216384081 NEURQXVUTXJEHG-OAHLLOKOSA-N 333.453 2.802 0 50 EFAA COc1cc(C(=O)N[C@@H]2CCNCC2(C)C)sc1Br 449709051 XVOPBNGONNDLRO-SNVBAGLBSA-N 347.278 2.637 0 50 EFAA CN1CC[C@@H](NC(=O)NCc2ccco2)[C@H]1c1ccc(F)c(F)c1 245714135 UJZSPUBWRHVOIN-HZPDHXFCSA-N 335.354 2.802 0 50 EFAA CN(C)C(=O)O[C@H]1CCCN(C(=O)c2cn(C)c3ccc(F)cc23)C1 496212541 KYGNHCAVHQSKJV-ZDUSSCGKSA-N 347.390 2.620 0 50 EFAA CC(=O)c1sc(CCCN2C(=O)c3ccccc3C2=O)nc1C 337717140 RZXMUJYOMAXQGH-UHFFFAOYSA-N 328.393 2.883 0 50 EFAA CN(C)Cc1nnc(C2CCN(CCCc3ccccc3)CC2)n1C 77439534 UGYWLFZHIOAUHZ-UHFFFAOYSA-N 341.503 2.689 0 50 EFAA Cc1[nH]ccc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 176079067 JFJNOFXKMLMQLH-QGZVFWFLSA-N 347.846 2.780 0 50 EFAA Cc1nc(C)c(CCC(=O)N2c3ccccc3SC[C@H]2C)c(=O)[nH]1 176655078 KGLURMPZQXQZMU-LLVKDONJSA-N 343.452 2.847 0 50 EFAA CSc1ncccc1C(=O)N1CCC([C@@H](O)c2ccccn2)CC1 220689430 AXUNWMJEZHQDFX-MRXNPFEDSA-N 343.452 2.784 0 50 EFAA O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H]1CN1CCCC1 178496176 JVBZCOZOOCNACI-GFCCVEGCSA-N 345.369 2.538 0 50 EFAA CC(C)(C)OC(=O)NCCCCN(CCCN)C(=O)OC(C)(C)C 44122467 AGIUPQUTLBAVDK-UHFFFAOYSA-N 345.484 2.877 0 50 EFAA Cc1nccc(C2CCN(C(=O)Cc3nc4ccccc4[nH]3)CC2)n1 426526450 PPRHHIGCTOTFMH-UHFFFAOYSA-N 335.411 2.610 0 50 EFAA CN(C)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C1CC1 82167236 VUEOAJWODBESSW-UHFFFAOYSA-N 345.491 2.571 0 50 EFAA O=C1N[C@H](C(=O)NCc2ccccc2CN2CCCCCC2)CS1 266149662 SRYNCZQZPWDIDL-INIZCTEOSA-N 347.484 2.504 0 50 EFAA CC(C)Oc1ccc(Cl)cc1[C@@H](C(=O)O)N1CCC(O)CC1 95371611 DHPBCFIVMWDHDJ-HNNXBMFYSA-N 327.808 2.710 0 50 EFAA C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 91461654 VQCAFXVLSZDOIB-VIFPVBQESA-N 343.387 2.622 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1ccc2c(c1)OCO2 95517381 FXZMSECSQZLKBT-CYBMUJFWSA-N 329.400 2.655 0 50 EFAA CNc1ccccc1C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 293784398 RUNXBOXYZIARSV-INIZCTEOSA-N 332.444 2.919 0 50 EFAA CCNC(=O)[C@@H]1C[C@H](NCc2cccc3ccccc23)CN1C(C)C 23360590 FOZLCLUTTGFJBA-ICSRJNTNSA-N 339.483 2.917 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1COc2ccccc2C1 95528770 XGXPUYLWANXASV-INIZCTEOSA-N 327.428 2.669 0 50 EFAA COc1cc(C(=O)O)cc(C(=O)N(C)Cc2cc(C)cc(C)n2)c1 97775910 ZNOKIOPLBAJMRJ-UHFFFAOYSA-N 328.368 2.677 0 50 EFAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1C=C[C@H]2O1 239308863 HATQEPWKJQMGLO-DDHJBXDOSA-N 343.688 2.802 0 50 EFAA CSC[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 97099269 FWWKCTPBVFHTAS-ZDUSSCGKSA-N 328.441 2.754 0 50 EFAA Cc1ccc([C@H](C(=O)O)N2CCN(C3CCCCC3)C(=O)C2)c(C)c1 95355113 PUJDOPJITDQTAX-LJQANCHMSA-N 344.455 2.906 0 50 EFAA O=C(C1CCC1)N1CCCN(C[C@@H]2CCOc3ccccc3C2)CC1 95519416 YKYLHGSXJWESKK-QGZVFWFLSA-N 342.483 2.962 0 50 EFAA CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC(C(=O)O)CC1 299751740 RMTAMPUQBIMINW-HNNXBMFYSA-N 341.354 2.691 0 50 EFAA O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1 263639772 IDLHAQUBWSADAS-UHFFFAOYSA-N 333.741 2.812 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1Cc1cc(-c2cnn(C)c2)no1 185020934 FGIWKPACTQNWSC-AWEZNQCLSA-N 337.427 2.916 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(F)cc3C)[C@H]2C1 299768862 QOHSCDMVCOTTLC-ZIFCJYIRSA-N 335.419 2.862 0 50 EFAA Cc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2cnc(C)cn2)c1 299770751 MIZHAAOZAGOLKO-IBGZPJMESA-N 338.455 2.764 0 50 EFAA Cc1nn(CCCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)c(C)c1C 299801229 WZNZMZSHCTXIEU-UHFFFAOYSA-N 342.443 2.784 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)Cc1c(C)n[nH]c1C)CC(C)(C)O2 299775535 GJHYAQVWVVQDHK-MRXNPFEDSA-N 343.427 2.996 0 50 EFAA COC(OC)[C@@H](C)NC1CCN(Cc2ccc(Cl)cc2)CC1 864095912 MTIFMMXKHSNVCV-CYBMUJFWSA-N 326.868 2.901 0 50 EFAA COc1ccccc1CC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 824815235 AVXYOQZYBPTBOT-UHFFFAOYSA-N 342.395 2.587 0 50 EFAA C[C@@H](O[C@H](C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C(=O)O 872914303 FGSIXIFTXZZZHV-CHWSQXEVSA-N 344.411 2.752 0 50 EFAA COCCn1nc2c(c1C(=O)N1CCC13CCCC3)C[C@H](C)O[C@@H]2C 1875314478 AZDUJVSTNUPECI-UONOGXRCSA-N 347.459 2.710 0 50 EFAA O=c1c2c(c(O)nn1[C@H]1CCCN(Cc3ccccc3)C1)CCCC2 1875360089 YOCUGUWXNBKIJS-INIZCTEOSA-N 339.439 2.665 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@](F)(c3ccccc3F)C2)CC1 1875363319 VSPSOPJOLVMUOL-LJQANCHMSA-N 348.393 2.647 0 50 EFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cccc2c1OCCNC2 1875350044 YPGAEYVAGYUALK-UHFFFAOYSA-N 334.379 2.811 0 50 EFAA Cc1ccc2[nH]c(CN(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)cc2c1C 952890198 PDPRYNLDAZOKEO-CRAIPNDOSA-N 339.443 2.907 0 50 EFAA Cc1scnc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C12CCCC2 1875406636 IUXRZLXFEZVNAW-MRVWCRGKSA-N 347.484 2.751 0 50 EFAA OC[C@@H]1CCCN(CCCNc2nnc(-c3ccccc3)s2)C1 952972246 VDGMUTAMWYJPIM-CQSZACIVSA-N 332.473 2.711 0 50 EFAA CC[C@H](C)Oc1ccc(C(=O)N2CC(c3cc(CO)on3)C2)cc1 886086366 UCDKCEWHOHSPEY-LBPRGKRZSA-N 330.384 2.584 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(Cl)cc1F 1775961494 DSRKATKOIQNSPW-RNCFNFMXSA-N 338.770 2.556 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)c3ccccc3O2)s1 1775999491 SCSNKWJERGPJMM-LBPRGKRZSA-N 331.397 2.808 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3ccc(C(F)(F)F)cn3)C2)N1CC1CC1 1565514479 PIGUJMCDJIMEFE-OCCSQVGLSA-N 339.361 2.938 0 50 EFAA O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1csc2cncn12 1436089630 QCPQNWRBAOKWQU-UHFFFAOYSA-N 328.332 2.572 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2cc(Cl)ccc2n1C 275477430 IDNCWBVXPFCGOF-LRDDRELGSA-N 345.834 2.580 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)CCc2cccs2)o1 275497602 WMUXJPFYCLMLNV-CYBMUJFWSA-N 335.429 2.787 0 50 EFAA COC(=O)[C@@H](C)CS[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597176 UDQIAMVPNUMPNU-RYUDHWBXSA-N 347.440 2.946 0 50 EFAA COC(=O)c1ccc([C@@H](C)N2CCC[C@H](Cc3nccn3C)C2)o1 170591638 FZTPRAWANMHAEE-ZIAGYGMSSA-N 331.416 2.815 0 50 EFAA O=C(OC1([C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 170632499 KXIQFSJPZLKFSW-LSDHHAIUSA-N 335.444 2.670 0 50 EFAA CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CCO[C@H]2CCC[C@H]21 280497901 BBSHIWSEJKPGPC-VZEFYGNVSA-N 336.407 2.865 0 50 EFAA C/C(=C\C(=O)Nc1cccc(CS(N)(=O)=O)c1)c1ccccc1C 221769149 YFKDAVGNOOLAHL-GXDHUFHOSA-N 344.436 2.826 0 50 EFAA Brc1cnccc1NC1CCN(c2cccnn2)CC1 281163552 KSSGAUDVIDYGTO-UHFFFAOYSA-N 334.221 2.715 0 50 EFAA CCCn1ccc2cc(NC(=O)NCC3(S(C)(=O)=O)CC3)ccc21 281520020 VVPFYNQUNYTFKT-UHFFFAOYSA-N 349.456 2.750 0 50 EFAA C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190286271 YGFROOGMGKGCSD-XIRDDKMYSA-N 334.460 2.861 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)C1 648452501 MLUDVLJWNQSTCD-LLVKDONJSA-N 347.346 2.593 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cccc(Cl)c2F)cn1 665651673 JMZUZXZZGMLRPB-ZUZCIYMTSA-N 337.782 2.720 0 50 EFAA Cc1nnc(SCC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)o1 1506421770 JPRMLWKBQVTGBQ-UHFFFAOYSA-N 343.412 2.519 0 50 EFAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)CCN1CCC(C)CC1 1506429669 YPESRMMUBNDESU-QGZVFWFLSA-N 338.423 2.624 0 50 EFAA O=C1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)C2(CCCC2)O1 1529126850 SFXFYFRWMLCCOH-INIZCTEOSA-N 339.395 2.746 0 50 EFAA Cc1ccc2nc(SCC(=O)N3C[C@H](C)[C@@](O)(C4CC4)C3)[nH]c2c1 216530883 OKXXFHYLVQTUAT-KPZWWZAWSA-N 345.468 2.583 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1 1529099126 QVRMOKJUMQOZCX-MOPGFXCFSA-N 344.455 2.766 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2ccc(Cl)c(C)c2)C[C@H]1O 1704304433 FQURSFFEOHSDTG-NVXWUHKLSA-N 325.836 2.634 0 50 EFAA COC(=O)c1cc(NC(=O)[C@H](C)OC[C@H]2CCCO2)ccc1Cl 147790371 NOSCXKATCQTXLY-CMPLNLGQSA-N 341.791 2.649 0 50 EFAA Cc1ncc(CN(CCO)Cc2ccc(OC(F)(F)F)cc2)[nH]1 1704328198 LDPMQZLDBDFKJK-UHFFFAOYSA-N 329.322 2.611 0 50 EFAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C2CCOCC2)CC1 11878173 JCUXHDZWZHFDSA-UHFFFAOYSA-N 334.464 2.684 0 50 EFAA Cc1cccc(CN2CCC[C@](O)(CNC3CCCCC3)C2=O)c1 12764124 VCTYVMQGCRLZEB-FQEVSTJZSA-N 330.472 2.771 0 50 EFAA COc1cccc(CN2CCC[C@@]3(CCN(C(C)C)C3)C2=O)c1OC 15061872 JKOAAKLAYFJGOF-FQEVSTJZSA-N 346.471 2.927 0 50 EFAA CSCCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 15066094 RUBMQVVLEOBQKA-GOSISDBHSA-N 347.528 2.553 0 50 EFAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)C1CCOCC1 15079482 YHVXKLLFVOZRLT-IBGZPJMESA-N 330.472 2.626 0 50 EFAA COc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1C)CCCC2 169752781 COJJWSUXNWTVDV-UHFFFAOYSA-N 330.359 2.893 0 50 EFAA O=C([C@@H]1CCCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 159609001 PASFBGNCCFKDOT-HNNXBMFYSA-N 342.361 2.923 0 50 EFAA O=C(NCCc1ccccc1F)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 223895065 AFFJGJURKFOLPN-RVKKMQEKSA-N 343.402 2.575 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2C[C@@H]2CC(C)C)cc1 1857528047 IRUZMHGWYRDJKD-SZMVWBNQSA-N 344.455 2.851 0 50 EFAA Cc1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c(Cl)c1 408524179 YSFITABIBCROKJ-UHFFFAOYSA-N 347.850 2.852 0 50 EFAA Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCSC2)cccc1C(F)(F)F 127375678 QAJCQVBPWSOOKK-SNVBAGLBSA-N 346.374 2.916 0 50 EFAA C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cn[nH]c1 239367145 AHSCNBRYGYZNPJ-YGRLFVJLSA-N 349.232 2.628 0 50 EFAA CCc1nnc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)s1 133462393 ZKKJBOXQKFJYPQ-UHFFFAOYSA-N 347.366 2.657 0 50 EFAA CCCCNC(=O)Cc1noc(-c2cc(Cl)cc3c2OCC3)n1 252478430 AMDAZPXXIGIDJN-UHFFFAOYSA-N 335.791 2.784 0 50 EFAA Cn1cc(-c2ccc(F)c(C(=O)NC[C@@]3(C)CCCC[C@H]3O)c2)cn1 360409213 VACCWDJEGXVZPF-IEBWSBKVSA-N 345.418 2.897 0 50 EFAA CCOc1ncccc1-c1noc([C@@H]2NCCOc3ccccc32)n1 904565837 MMRHYQSTTCWZCG-OAHLLOKOSA-N 338.367 2.602 0 50 EFAA CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC[C@@H]1CC1(F)F 907052924 IJLKUFVDJPMYIB-LLVKDONJSA-N 347.383 2.832 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 911513440 YFQWEKUQITUFOA-CSMYWGQOSA-N 340.379 2.874 0 50 EFAA O=C(Nc1cncc(Cl)c1)N[C@H]1CCN(c2ncccc2F)C1 932116121 GDKOYPHYIMRYFK-NSHDSACASA-N 335.770 2.670 0 50 EFAA CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(C(F)F)ncn1)CCC2 935307193 IEGJVOXMXVRLKP-LLVKDONJSA-N 335.358 2.999 0 50 EFAA C[C@@H](Nc1ccc(OCCN)cc1)C(=O)Nc1cccnc1Cl 843366500 AIIQMVPRORHOES-LLVKDONJSA-N 334.807 2.512 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC(C)(C)CC(=O)O)C1 323619991 NGZYVTVQRLKMOM-INIZCTEOSA-N 346.471 2.858 0 50 EFAA CCn1cc(Br)cc1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 328593074 UGKNKBXOWZAVAI-SECBINFHSA-N 343.221 2.596 0 50 EFAA O=C(NC[C@@H]1NCCc2ccccc21)c1cc(Cc2ccccc2)[nH]n1 2325858755 ZKIVPXINCRPQOZ-FQEVSTJZSA-N 346.434 2.617 0 50 EFAA Cc1[nH]c(-c2ccncc2)nc(=NCc2cc(N(C)C)ccn2)c1C 895464946 FGRYCIIZLUXVTA-UHFFFAOYSA-N 334.427 2.650 0 50 EFAA CC1=C(C)C(=O)N(CCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O 900227831 DRYYMRUDIUIYJB-KUHUBIRLSA-N 332.444 2.509 0 50 EFAA CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 353672 UREHYMIMBDHZPO-UHFFFAOYSA-N 338.477 2.608 0 50 EFAA CCOC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 753281 YBPUJEWDNZDTSJ-UHFFFAOYSA-N 339.457 2.576 0 50 EFAA Cc1nc2sc3c(c2c2nc(CCC(=O)O)nn12)CC(C)(C)OC3 2339332 VCHHRIHLDJGARF-UHFFFAOYSA-N 346.412 2.516 0 50 EFAA COc1ccc(-c2onc(NCC[C@@H]3CCOC3)c2C(=O)O)cc1 2356145529 PDCCWTBKOBGMLW-LLVKDONJSA-N 332.356 2.887 0 50 EFAA Cc1cc(C)nc(SCC(=O)N2CCN(c3ccccc3)CC2)n1 2883090 QLBHLJXPNJWESO-UHFFFAOYSA-N 342.468 2.534 0 50 EFAA CC[C@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 2885336 GNEXBOCFVVXXBE-NSHDSACASA-N 337.221 2.897 0 50 EFAA O=C(c1ccc2ccccn12)N1CCc2nc[nH]c2[C@H]1c1cccnc1 2356169395 AISIJAURTNLHJQ-LJQANCHMSA-N 343.390 2.845 0 50 EFAA C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 7608583 RTQDFDIZOAIHFQ-ZDUSSCGKSA-N 333.391 2.834 0 50 EFAA biogenic CCN(Cc1noc(C)n1)[C@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55198087 RKYHUGWZXGGABL-HNNXBMFYSA-N 333.388 2.651 0 50 EFAA Cc1csc(NC(=O)CSc2nnc(-c3cc(C)on3)o2)n1 8913892 BWNNVRAIDOENJV-UHFFFAOYSA-N 337.386 2.529 0 50 EFAA CCOc1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 101517477 IYYKIRSUZICUEO-CZPYZCIJSA-N 327.380 2.937 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1cc2c(cc1Cl)OCO2 55568933 WVERTRCSYPCDAG-UHFFFAOYSA-N 339.779 2.620 0 50 EFAA Cc1ccc(NC(=O)CC(=O)N(C)CCN2CCCCCC2)c(C)c1 55569090 QNOYUHJYDHTOMA-UHFFFAOYSA-N 345.487 2.966 0 50 EFAA O=C(NCCC[C@@H]1CCC[C@@H]1O)c1cc(F)cc2nc(S)[nH]c12 134827649 KNIWNUIQLJYZNY-ZANVPECISA-N 337.420 2.662 0 50 EFAA C[C@]12CC=CC[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1 104279613 PKCQYNKMTQUWBW-QNIGDANOSA-N 328.231 2.931 0 50 EFAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC(=O)NC[C@@H]1C 67934949 HNYAXRAQHVNYJO-JTQLQIEISA-N 335.354 2.639 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)cc(F)c2)C1 347955144 VNIJHRILOREZDR-KGLIPLIRSA-N 346.324 2.806 0 50 EFAA Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 20103352 XAIVFRXAWIXETM-INIZCTEOSA-N 334.379 2.829 0 50 EFAA NC1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CCCC1 67740988 CTEJYBMDAHJPMF-RBUKOAKNSA-N 338.451 2.788 0 50 EFAA Cc1cn(CC(=O)N[C@@H]2C[C@@H](O)c3ccccc32)nc1C(F)(F)F 862191565 OQBCHCPFEJMMBO-CHWSQXEVSA-N 339.317 2.505 0 50 EFAA CC(C)n1[nH]cnc1=NC(=O)C1(c2ccccc2Cl)CCOCC1 425605076 FVGIYURHMBGLKE-UHFFFAOYSA-N 348.834 2.621 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCc2ccc(-c3noc(C)n3)cc2)C1 65382678 RLCVBAAZHHKUKO-LJQANCHMSA-N 342.443 2.783 0 50 EFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@@H]1CCc1ccccc1 67695613 LHOZOAOPSGGEJQ-KRWDZBQOSA-N 336.443 2.753 0 50 EFAA COC(=O)c1cc2n(n1)CCCN(C(=O)C/C=C/c1ccccc1)C2 65490660 MAKMPZLCEYCMAL-WEVVVXLNSA-N 339.395 2.506 0 50 EFAA CN1CC[C@@H](CNC(=O)Cc2cc(Cl)ccc2Br)C1 121906230 AXQGYEOTFMVFOT-JTQLQIEISA-N 345.668 2.713 0 50 EFAA COCC(=O)N1CC[C@@]2(CCCN(Cc3c(C)cccc3C)C2)C1 67966177 GYXXBRHYTPNMJA-HXUWFJFHSA-N 330.472 2.764 0 50 EFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 64800317 MRPAOWWMXWRLEZ-UHFFFAOYSA-N 340.431 2.571 0 50 EFAA COc1c(F)cc([C@H]2CC(=O)NCc3nc(N)sc32)cc1Cl 65387345 CXSORNCURQTHSK-SSDOTTSWSA-N 341.795 2.678 0 50 EFAA COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1 2526778 QEGVVEOAVNHRAA-UHFFFAOYSA-N 326.761 2.997 0 50 EFAA biogenic,in-vitro CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 124180775 FPMNNFGSKXBCPZ-QGZVFWFLSA-N 344.455 2.803 0 50 EFAA O=C(O)COc1ccccc1CN1CCN(Cc2cccs2)CC1 215231200 IJKBUKUUBMAXGR-UHFFFAOYSA-N 346.452 2.529 0 50 EFAA C[C@H]1CCN[C@@H](C(=O)Nc2cccc(I)c2)C1 126087636 CHVUHHMCWYIHMH-JOYOIKCWSA-N 344.196 2.618 0 50 EFAA Cc1nc(S)sc1CC(=O)NCc1nc(C2CC2)cs1 127296931 QAZDQVKGQMIFEF-UHFFFAOYSA-N 325.484 2.933 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 75536798 AIDBZUPVJRQKMJ-INIZCTEOSA-N 332.444 2.693 0 50 EFAA Cc1oc(-c2ccsc2)nc1CN1CC[C@H](N2CCOCC2)C1 359777662 JEULWSBCHLDAEK-HNNXBMFYSA-N 333.457 2.618 0 50 EFAA COc1cc(C)ccc1-c1nccn1CCCN1CCC(O)CC1 71765205 YWHFDKQWPATZKI-UHFFFAOYSA-N 329.444 2.714 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c2cnn(C(C)C)c2n1 153481513 WPWCOGHSIKNDNQ-ZIAGYGMSSA-N 343.475 2.958 0 50 EFAA Cn1nccc1[C@@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1 363095423 DFTSDSJQGUGBEO-GFCCVEGCSA-N 334.370 2.516 0 50 EFAA O=C(N1CCOCC1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72143786 ZVXTYTFVCLMYDA-HNNXBMFYSA-N 332.379 2.681 0 50 EFAA Cc1cc(CC(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)n[nH]1 369253812 SULRCDBOUBNNGQ-HNNXBMFYSA-N 337.427 2.549 0 50 EFAA O=C1CCCN1CCN1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 239761014 CJELGCHIRHMOKB-WOJBJXKFSA-N 341.499 2.738 0 50 EFAA CCc1c(NC(=O)N2CC[C@H](C(=O)O)C2)cnn1-c1ccccc1C 263034732 KXWAQQYRZSWKKN-ZDUSSCGKSA-N 342.399 2.682 0 50 EFAA COCCCN1C(=O)CC[C@H]2CN(CCc3ccccc3)CC[C@H]21 72424317 VSGQATFBFBBRJO-RBUKOAKNSA-N 330.472 2.579 0 50 EFAA COc1cccc([C@H]2CCCN2CC(=O)NCc2ccccn2)c1 72129055 DMSSHPMPDPYAMN-GOSISDBHSA-N 325.412 2.544 0 50 EFAA Cn1cc([C@@H](NC(=O)Cc2cccc3ccccc23)C2CC(O)C2)cn1 220746149 BZOZIHFPNCSUHI-IAYYMHMVSA-N 349.434 2.744 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)n1C(F)F 222494571 YEZSBIOTDYFMIK-KBPBESRZSA-N 342.386 2.753 0 50 EFAA C[C@H]1CN(CCOc2ccccc2)CCN1C[C@@H](O)c1ccccc1 229375692 FKEJYNBSRUGQDO-GHTZIAJQSA-N 340.467 2.805 0 50 EFAA Cc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccncc3)n2)cnn1C 20617845 KDWFVENMDUKYJO-UHFFFAOYSA-N 347.426 2.744 0 50 EFAA COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2C 20604513 OBJZQRMTNYSAPL-UHFFFAOYSA-N 333.394 2.506 0 50 EFAA Cc1ccc(NC(=O)N[C@H]2COC[C@@H]2N2CCCC2)c2cccnc12 426537718 OQTPNOLQXMKILW-IRXDYDNUSA-N 340.427 2.528 0 50 EFAA CNCc1nnc(SCc2ccc(C(F)(F)F)cc2F)n1C 426602544 SAVXXOHASDKHPL-UHFFFAOYSA-N 334.342 2.985 0 50 EFAA Oc1ccc(Br)c(CN2CCC[C@H](n3cncn3)C2)c1 179469326 PKVVVTFKNVDNGX-LBPRGKRZSA-N 337.221 2.583 0 50 EFAA O=C(CCN1CCCCC1=O)N[C@H](c1ccccc1)C(F)(F)F 97574926 FMZAWULFZRWQOM-OAHLLOKOSA-N 328.334 2.809 0 50 EFAA C[C@@H](Cc1nc(CC2CCN(C)CC2)nn1CCO)c1ccccc1 96161849 CGPYLTPTWJBRIH-INIZCTEOSA-N 342.487 2.501 0 50 EFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc24)C3)c1 91621190 CRXWZHNZNRXWHR-FUHWJXTLSA-N 349.438 2.714 0 50 EFAA COc1nc2c(cc1C(=O)NC[C@H]1COc3ccccc3C1)CCC2 91663602 NRLWSJWHWINAPQ-ZDUSSCGKSA-N 338.407 2.560 0 50 EFAA CCOc1ccc(-c2cn(O)c3c([n+]2=O)CCCC3)c(OCC)c1 334157382 CRRYKSYFAUYMTQ-UHFFFAOYSA-N 331.392 2.983 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(C)c1OC)C2 95352852 FYXQBMGWYPYMAA-FUHWJXTLSA-N 348.487 2.555 0 50 EFAA O=C(O)c1cccc(N2CCC([C@H](O)Cc3ccccc3)CC2)n1 95518801 GBOCWZMBTJASBN-QGZVFWFLSA-N 326.396 2.600 0 50 EFAA Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCCc4ccccc43)CCO2)cn1 267595811 KQJJSCOSDZHFOU-QZTJIDSGSA-N 340.427 2.581 0 50 EFAA COc1ccc(CCCNc2ncc(F)c(N(C)C)n2)cc1OC 95363296 VEYXUJLANYZXJA-UHFFFAOYSA-N 334.395 2.744 0 50 EFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3ccc4ncsc4c3)C2)ncn1 244718689 LPAJOJCYRUNUPW-TXEJJXNPSA-N 339.424 2.804 0 50 EFAA CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244899383 ZIUBBHADXRWAOC-JXXFODFXSA-N 340.423 2.651 0 50 EFAA Cc1c(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)cnn1C 299797175 QHMWZNWMWFPFDA-QGZVFWFLSA-N 345.422 2.826 0 50 EFAA CCCN1C[C@H](NC(=O)Nc2cccc(-n3cccc3)c2C)CC1=O 299775597 KUIDMWWVBXHLFU-OAHLLOKOSA-N 340.427 2.918 0 50 EFAA CCCN(CCO)C(=O)Nc1ccc(OCc2ccccn2)cc1 299786117 RFQPBMBNDJDIDW-UHFFFAOYSA-N 329.400 2.897 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)NCc1nncn1C1CCCCC1 299771548 QOXYBAKDQYLAJU-ZDUSSCGKSA-N 330.436 2.556 0 50 EFAA COc1ccc(-c2cccc(C(=O)N3CCN[C@@H](C)C3)c2)c(OC)c1 299791431 CSFQDNAEGDUHLW-AWEZNQCLSA-N 340.423 2.805 0 50 EFAA Cc1nc(CC(=O)Nc2ccc(O[C@H](C)C(=O)O)c(F)c2)cs1 864170915 OINRKGKAXHBFNQ-MRVPVSSYSA-N 338.360 2.624 0 50 EFAA CCCCCc1nc(-c2csc(C)n2)n(C[C@@H]2COCCO2)n1 584895585 KBKYMIWVPFFRGF-CYBMUJFWSA-N 336.461 2.858 0 50 EFAA CCc1cccnc1C(=O)Nc1ccccc1CN1CCOCC1 270933385 IFAZKFYZJKVRBA-UHFFFAOYSA-N 325.412 2.729 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)Nc2c(F)cccc2CO)cn1 1875281092 OXOJKNGQGIOQOG-UHFFFAOYSA-N 338.404 2.811 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccn1 1875291954 RCLJNFURPDJZHP-GOEBONIOSA-N 340.379 2.539 0 50 EFAA Cc1cc(-c2cn(CCNC(=O)CCC3CCCC3)nn2)ccn1 1875323752 SEULBWLJTKYRJT-UHFFFAOYSA-N 327.432 2.735 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@]2(C[C@H]2C(=O)O)C1 1875304629 PVTKHQWCRCKPEW-XHDPSFHLSA-N 342.317 2.736 0 50 EFAA Oc1ncccc1-c1noc([C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 874434951 HWUPHZUMFAMWQV-CHWSQXEVSA-N 337.335 2.880 0 50 EFAA CC1(C)CN(C(=O)C2(CC(=O)O)CCOCC2)[C@H]1c1ccccc1 952893665 INOSFCMSFKUBLM-INIZCTEOSA-N 331.412 2.868 0 50 EFAA COC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cncc(C(=O)O)c1C 1875277629 VOLAFWZIYZKMST-INIZCTEOSA-N 346.358 2.687 0 50 EFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1cccc2cnccc12 886054990 AKJLHKYEWODFTM-ZWKOTPCHSA-N 336.395 2.537 0 50 EFAA CC(=O)NCc1cc(O[C@@H]2CCN(C[C@H]3CC=CCC3)C2)ccn1 886063044 NJEROLORNDURBH-QFBILLFUSA-N 329.444 2.527 0 50 EFAA CCc1ccc(CN2CC[C@H](Oc3ccnc(CNC(C)=O)c3)C2)o1 886044944 OOBYWQRBYSBJRR-IBGZPJMESA-N 343.427 2.526 0 50 EFAA O=C(NCCc1c(F)cc(O)cc1F)[C@@H]1CCc2cccc(O)c21 886268492 QYUYMXZHZGOCSC-CYBMUJFWSA-N 333.334 2.765 0 50 EFAA CC1(C)CCC[C@H](OC(=O)c2c(C(F)F)nc3cnccn23)C1=O 885503281 OLIXKJNWWZJTRW-VIFPVBQESA-N 337.326 2.972 0 50 EFAA NC/C=C/C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 888096800 RMMDABXPTIKWTC-ADQTWTKMSA-N 331.416 2.958 0 50 EFAA Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H](c1ccncc1)C1CC1 890914819 AAFFVVVGVBAESL-FQEVSTJZSA-N 349.438 2.941 0 50 EFAA Cc1nc(NCCc2c[nH]c3cnc(Cl)cc23)c2cnn(C)c2n1 1775987636 LNVKUXSPOOCKNC-UHFFFAOYSA-N 341.806 2.856 0 50 EFAA COC1(c2ccc(C(=O)N3CCC4(CC3)CC4(F)F)cc2)COC1 1775989375 MISRXXZAKDFDBJ-UHFFFAOYSA-N 337.366 2.820 0 50 EFAA CC[C@@H](C)n1nccc1C(=O)N=c1c(C)c[nH]cc1Br 1339084826 GQYAXKKRKURSDN-SNVBAGLBSA-N 337.221 2.994 0 50 EFAA CC(C)(CO)CNC(=O)c1cc2c(F)c(Br)ccc2[nH]1 1775145370 PHIUMEGUSHABKZ-UHFFFAOYSA-N 343.196 2.818 0 50 EFAA O=C1O[C@H]2CN(CCCc3ccccc3)C[C@H]2N1Cc1ccccn1 1565527596 KMLZAKOZLOMWPD-MOPGFXCFSA-N 337.423 2.719 0 50 EFAA O=S(=O)(Cc1ccccc1Cl)Cc1noc2c1COCC2 899484565 UJIFTLORGYZQMP-UHFFFAOYSA-N 327.789 2.516 0 50 EFAA CC1(C)COc2c(C(=O)NC3(CO)Cc4ccccc4C3)cccc21 684062928 NWJZTZXHPKZGGY-UHFFFAOYSA-N 337.419 2.616 0 50 EFAA CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)CC2CCC2)CC1 221679895 JASGAOYHDWPKMF-RTBURBONSA-N 335.536 2.972 0 50 EFAA C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 221738779 JBUREIUCVCAZSE-NUEKZKHPSA-N 340.427 2.603 0 50 EFAA O=C(NCc1c(C(=O)O)oc2ccccc12)c1n[nH]c2c1CCCC2 738502935 KYNRCWILWMKXJM-UHFFFAOYSA-N 339.351 2.663 0 50 EFAA C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cc([C@H]3CCCO3)nn2C)[nH]n1 278925043 HOQOLFQLYQMBHO-GIPNMCIBSA-N 330.392 2.762 0 50 EFAA Cc1cccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1O 171295224 UVFQAYVFCKJPEA-UHFFFAOYSA-N 342.395 2.637 0 50 EFAA Cc1ccc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)c(C)n1 187720886 KQBDAZXCJIXKFO-KRWDZBQOSA-N 339.439 2.907 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)N[C@H](C)CCc1ccco1 645440176 YQHHLHNBGCXQII-LLVKDONJSA-N 327.377 2.727 0 50 EFAA CO[C@](C)(C(=O)N1CCC(n2ccnc2)CC1)c1ccccc1F 192001371 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50 EFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]1C1(O)CC1 1772813824 WBRMRXSJQKFBIK-SFHVURJKSA-N 339.439 2.548 0 50 EFAA OC[C@H](O)C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 1772701213 MNTMYQLSIZWGPO-INIZCTEOSA-N 336.432 2.514 0 50 EFAA Cc1ccccc1N1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1772813367 YPSSEVOHUKOAFH-SFHVURJKSA-N 329.488 2.764 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)CCN1CCCO1 11822073 MZTUZRSFDITXOB-UHFFFAOYSA-N 341.411 2.826 0 50 EFAA CN(C(=O)C1CCOCC1)[C@H]1CCCN(Cc2ccccc2F)C1 11841552 PDEGQYYHNPCQIF-KRWDZBQOSA-N 334.435 2.675 0 50 EFAA Cc1c(C(=O)NCc2cccnc2)nnn1-c1ccccc1Cl 12274795 PGDHZBOMDXEAES-UHFFFAOYSA-N 327.775 2.554 0 50 EFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)cc1 14095332 KWASBNBMDKPVPV-LBPRGKRZSA-N 345.424 2.842 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 15004466 YGUYYEGXFPOIKH-NSHDSACASA-N 341.383 2.565 0 50 EFAA CCSc1nnc(N)n1[C@H](CC)C(=O)Nc1ccc(OC)cc1 16650213 IURZTKKXWRVJBZ-GFCCVEGCSA-N 335.433 2.571 0 50 EFAA COc1cc(CN2CCN(Cc3ccccc3)CC2)cc(OC)c1O 19536559 CMUDRWBAQXYXMH-UHFFFAOYSA-N 342.439 2.727 0 50 EFAA biogenic Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1 19790214 CWIWEKQCIDOHSB-UHFFFAOYSA-N 342.414 2.857 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc2c1NCCC2 220272985 UQTSJIHZBLQQSI-ZRGWGRIASA-N 337.423 2.682 0 50 EFAA CS(=O)(=O)c1ccc(-c2nccn2CC[C@H]2CCCOC2)cc1 1857677056 PVXFCYSETBQQOR-CQSZACIVSA-N 334.441 2.770 0 50 EFAA O=C(C1CCCCC1)N1CC[C@@H](Nc2nc(O)c3ccccc3n2)C1 301632087 CYDLFRJVYVKWHD-CQSZACIVSA-N 340.427 2.929 0 50 EFAA COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 225423025 HPQBTNJYRQYEOM-LPHOPBHVSA-N 346.471 2.765 0 50 EFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](C(=O)N(C)C)C1)CC2 331725696 NBNXQWBAAJSTQD-FUHWJXTLSA-N 343.471 2.917 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2ccnc21 333222772 WXAOWZSPQSKYBC-ZYHUDNBSSA-N 325.821 2.829 0 50 EFAA COc1ccc([C@H]2CN(Cc3csc(C)n3)C[C@@H]2NC(C)=O)cc1 247959724 NRVSNSOJIJKSBS-MSOLQXFVSA-N 345.468 2.564 0 50 EFAA O=c1c(=Cc2ccccc2F)sc2nc(-c3cccs3)nn12 254406530 CYQSNEIFJZZRJT-UHFFFAOYSA-N 329.381 2.566 0 50 EFAA O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)c(F)c1 156847082 YYSLVIGKFBVMLA-AWEZNQCLSA-N 336.382 2.876 0 50 EFAA O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(n2ccnn2)CC1 163227632 HTCKSCYTAIAJPP-UHFFFAOYSA-N 342.296 2.913 0 50 EFAA O=C(O)COc1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)cc1 901431953 ZHONTCTYGXAQOB-SFHVURJKSA-N 345.370 2.863 0 50 EFAA COc1ncccc1NS(=O)(=O)c1cc(F)ccc1OC(C)C 901855976 WIUPGHBAZZGFIW-UHFFFAOYSA-N 340.376 2.817 0 50 EFAA O=C(O)C12CCC(C(=O)N3CCOc4cccc(F)c4C3)(CC1)C2 909697665 YUVVDGSXESOBFV-UHFFFAOYSA-N 333.359 2.582 0 50 EFAA Cn1nccc1C(NC(=O)c1ccccc1C1CCC1)c1ccnn1C 827672258 GHEOETDEPLEAFO-UHFFFAOYSA-N 349.438 2.941 0 50 EFAA O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCO1 1422636 HYYXNIFDETUMBX-SFHVURJKSA-N 338.407 2.777 0 50 EFAA CCn1c2ccccc2c2cc(N(C)C(=O)[C@@H](N)CC(=O)O)ccc21 2325774969 LOWUUHAMUVCNMR-HNNXBMFYSA-N 339.395 2.579 0 50 EFAA Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2P(C)(C)=O)cnc2ccnn12 2325796936 GISROTBSZLUZAF-KGLIPLIRSA-N 334.360 2.701 0 50 EFAA Cc1cc2c[nH]nc2cc1C(=O)N1CCN(c2ccncc2)C[C@H]1C 2325797951 BERVTQFPTHBMJJ-CQSZACIVSA-N 335.411 2.617 0 50 EFAA Cc1cc(=N[C@H]2CCN(c3nc(C)c(C)c(O)n3)C2)c2ccccc2[nH]1 2325826888 PHQPQJIRZBXPAU-HNNXBMFYSA-N 349.438 2.768 0 50 EFAA O=C(O)[C@@H](CNCc1cc(-c2ccccc2)n[nH]1)Oc1ccccc1 2325851602 DMNADSCXQMBUSY-GOSISDBHSA-N 337.379 2.699 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C 184039 FANPSCRELBLWCR-UHFFFAOYSA-N 329.396 2.918 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(C)C)cc1 449447 JCBXXFOOYAEMED-OAHLLOKOSA-N 334.441 2.830 0 50 EFAA COc1cnccc1-c1cccc(C(=O)NCC[C@H]2CCCN2C)c1 2356151422 HWZZVBNVWVINJX-QGZVFWFLSA-N 339.439 2.971 0 50 EFAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)CN1CCCCC1)CC2 6472523 JVMCMUQRNSXOOK-AWEZNQCLSA-N 332.444 2.635 0 50 EFAA CC(C)Cc1noc([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2C)n1 102544539 YMBPSEYJLKHKOA-SNVBAGLBSA-N 332.408 2.762 0 50 EFAA COc1cc(CN2CCN(c3ccccc3)CC2)cc2c1OCO2 23115024 YUPYEVCALNMSGQ-UHFFFAOYSA-N 326.396 2.746 0 50 EFAA CN(CCCO)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 67790003 WBQKHNWALHNXFA-UHFFFAOYSA-N 342.754 2.501 0 50 EFAA CC(C)(C(=O)NC[C@H]1CCN(Cc2cccnc2)C1)c1ccccc1 67856782 HHNFLJFLSJEVMA-GOSISDBHSA-N 337.467 2.998 0 50 EFAA CC(C)O[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)C[C@@H]1O 67921091 LDXYJNREQIPWQV-ROUUACIJSA-N 339.439 2.607 0 50 EFAA COc1cccc(CN2CCN(c3noc(C(C)C)n3)CC2)c1F 67605682 FVJNHWIDIKTQHG-UHFFFAOYSA-N 334.395 2.663 0 50 EFAA CC1(C)CN[C@H]1C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 424039793 KPYSOOHGHFHVGL-FQEVSTJZSA-N 326.484 2.954 0 50 EFAA CCOCCN1CCN(C[C@@H](O)c2ccc(C(C)C)cc2)C[C@@H]1C 229545296 ULDMMZMJYPDHNN-FXAWDEMLSA-N 334.504 2.886 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 229518492 IKDZKFXDNGMKMM-VNHYZAJKSA-N 338.398 2.679 0 50 EFAA Cc1cccc(OC[C@H](O)CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 229516916 AKLDOBGRWZJTJD-MJGOQNOKSA-N 343.471 2.922 0 50 EFAA CN(Cc1cc(Br)cn1C)[C@@H]1CCN(C(C)(C)C)C1=O 425423078 NYHFJNCUIRIYNC-CYBMUJFWSA-N 342.281 2.619 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2F)cc1C 320603121 YEGVSRFFLYLDOS-UHFFFAOYSA-N 339.344 2.642 0 50 EFAA CNC(=O)C[C@@H](C)N(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 65372858 VZVROELHSWHPII-OAHLLOKOSA-N 339.439 2.895 0 50 EFAA COc1cccc(S(=O)(=O)NC(=O)CC/C=C/c2ccccc2)c1 122133953 GJSYCCZDDKADBH-BJMVGYQFSA-N 345.420 2.994 0 50 EFAA Cc1cc(NCCN2CCC[C@H](CO)C2)nc(-c2ccccc2)n1 65409773 RKGMXFOPHZMKFN-INIZCTEOSA-N 326.444 2.568 0 50 EFAA CC(C)[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 122610443 ZMYOPOREFMFREM-MSOLQXFVSA-N 343.471 2.879 0 50 EFAA Cc1noc([C@H](NC(=O)c2ccc3c(c2)CCC3)C2CCOCC2)n1 328609624 FHDFULPBSJPEAL-QGZVFWFLSA-N 341.411 2.764 0 50 EFAA Cc1ccc(CN2CCC=C(CCNC(=O)N3CCOCC3)C2)cc1 67934523 OCBHUXBBORSTTL-UHFFFAOYSA-N 343.471 2.559 0 50 EFAA CCn1cnnc1[C@H]1CN(Cc2cc(F)cc3cccnc23)CCO1 328626414 FARRIRXANGXIJV-MRXNPFEDSA-N 341.390 2.559 0 50 EFAA CC(C)c1cnc(CNC[C@H]2CCn3ncc(C(=N)O)c3C2)s1 328647189 TUPINYLJYXPFAV-NSHDSACASA-N 333.461 2.699 0 50 EFAA N=C1S/C(=C/c2ccccc2)C(=O)N1c1nonc1-n1cccc1 4689610 LAWPAXRRDPHIGT-NPYZNLJBSA-N 337.364 2.916 0 50 EFAA O=C(NCC1(Cn2cccn2)CC1)c1cc(-c2ccsc2)n[nH]1 219571775 DMQCCZMETIHBOR-UHFFFAOYSA-N 327.413 2.545 0 50 EFAA COc1cccc([C@@H]2CCCN2CC(=O)Nc2cn(C)nc2C)c1 72135364 NEGLGKXZVOHTEC-KRWDZBQOSA-N 328.416 2.513 0 50 EFAA Cn1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)n1 378372080 AXNDCUWKQVEPHM-LSDHHAIUSA-N 325.334 2.747 0 50 EFAA Cn1ncc2c(NC[C@H]3CCCO3)nc(CCc3ccccc3)nc21 72120804 JPOWXUVAXRBXBB-OAHLLOKOSA-N 337.427 2.739 0 50 EFAA COc1ccc(-c2cnnc(N3CCC[C@H]3c3nonc3C)n2)cc1 14950752 ISGHUDMEOUGROQ-HNNXBMFYSA-N 338.371 2.580 0 50 EFAA CN(C)c1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)cn1 366910701 KMSBEDBYQOVOTQ-INIZCTEOSA-N 344.846 2.588 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1cc(I)cc(C(=O)O)c1 237441635 IXVJQWGWEPOKBS-LHLIQPBNSA-N 345.136 2.584 0 50 EFAA COc1ccc(Oc2cc(CNC(=O)/C=C/CN(C)C)ccn2)cc1 491904809 KVGCDQKVRIFKQJ-SNAWJCMRSA-N 341.411 2.617 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@@H](c1ccccc1)C1CCCCC1 238094066 YWBWEUUPVUJJAI-MJGOQNOKSA-N 344.455 2.973 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(c2cncc(Br)c2)CC1 375657045 KTGFLQWTNRTTBK-ZDUSSCGKSA-N 337.221 2.517 0 50 EFAA Cc1cnn(CCCN2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)c1 72148862 QBRMXHVNWDMBEY-HXUWFJFHSA-N 338.455 2.592 0 50 EFAA Cc1nccc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)n1 72428624 QCWPRYVPZKJIPU-UHFFFAOYSA-N 336.439 2.804 0 50 EFAA CCOc1cccc(CN=c2[nH]cc(-c3ccc(OC)cc3)n2C)n1 453050668 IJGQXFGSSDEJNA-UHFFFAOYSA-N 338.411 2.923 0 50 EFAA CCCOc1ccccc1NC(=O)N1CCC[C@H]1c1nncn1C 158868057 CTQLKUGTSPIFGA-AWEZNQCLSA-N 329.404 2.973 0 50 EFAA Cc1cccc2c(CCNC(=O)[C@@H]3CCCN3C(=O)C3CC3)c[nH]c12 71748954 GJSRTGNQFWCCEV-KRWDZBQOSA-N 339.439 2.536 0 50 EFAA CCCOCC(=O)N1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 72423663 KLTWKLZETNBOOK-INIZCTEOSA-N 346.475 2.518 0 50 EFAA Cc1cc(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)ccc1O 72155016 JEZPWSWESOORIP-INIZCTEOSA-N 330.428 2.612 0 50 EFAA COc1ccc(CN(C)Cc2cc(C)no2)cc1Cn1cccn1 214953108 MLXPSEARHOQAGQ-UHFFFAOYSA-N 326.400 2.868 0 50 EFAA CC(C)S[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H]1C(N)=O 241719794 QPRKYFIWCORFAD-BBRMVZONSA-N 349.500 2.605 0 50 EFAA COc1cccc(CN2CCN(C(=O)C3CCCCCC3)CC2=O)c1 77470261 HQFCQZXVKOLYAT-UHFFFAOYSA-N 344.455 2.836 0 50 EFAA CC(C)C[C@H](NC(=O)c1ccoc1C1CC1)C(=O)Nc1cc[nH]n1 242191294 XELKJQPWIIOAPT-ZDUSSCGKSA-N 330.388 2.663 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2ccccc2s1 44892758 ZDMZKUSWVAOUTP-UHFFFAOYSA-N 342.468 2.938 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1cnn(C)c1 175448631 CZGZJRSWJKEQMM-VXGBXAGGSA-N 341.864 2.886 0 50 EFAA Cc1cccc([C@H](C)CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 130068903 LHYYOQDLIALQOK-MRXNPFEDSA-N 343.471 2.752 0 50 EFAA CC(=O)c1cn(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc12 44903341 FILPPTDVTWYOLC-CQSZACIVSA-N 342.395 2.557 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1CCN(Cc2ccncc2)CC1 20436033 RQGFVYHZIAKXLD-UHFFFAOYSA-N 332.354 2.710 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1 178968476 YCCBNMKSVCQKAQ-PBKGFPTLSA-N 329.263 2.592 0 50 EFAA CC(=O)Nc1ccc(-c2cn(Cc3snnc3C(C)C)nn2)cc1 82091527 AQTBVURTGSLPBN-UHFFFAOYSA-N 342.428 2.927 0 50 EFAA COc1cccc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2=O)c1 82125429 LOPPQZPHPFXNSE-UHFFFAOYSA-N 342.370 2.632 0 50 EFAA O=C(NCCCc1nc2cc(F)ccc2[nH]1)[C@H](O)c1cccc(F)c1 220272333 JMBUYVXNKOEPIN-QGZVFWFLSA-N 345.349 2.624 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2cc(N)ncn2)cc1 426684002 XHPOAMPYOLKXRI-INIZCTEOSA-N 340.427 2.757 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)no1 91325520 FQQTXTYGXJGEGE-UHFFFAOYSA-N 340.383 2.899 0 50 EFAA O=C1CC2(CCCC2)CN1CC(=O)N1CCCC[C@H]1c1nccs1 95498377 HNXJSORXDCJANM-AWEZNQCLSA-N 347.484 2.989 0 50 EFAA OCCO[C@H]1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1 179570841 RVOUMQPVVDFQNF-SFHVURJKSA-N 330.403 2.861 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)N1CCOc2ccc(Cl)cc2C1 426632896 PADOJHGDNUFRFY-UHFFFAOYSA-N 346.818 2.656 0 50 EFAA CC(C)c1n[nH]c2c1CN(C1CCN(Cc3cccnc3)CC1)CC2 23214803 CJFPWSYQXYIGLV-UHFFFAOYSA-N 339.487 2.951 0 50 EFAA CCCc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)[nH]n1 96160279 USTYCWDXCYZIQJ-MRXNPFEDSA-N 326.444 2.582 0 50 EFAA COc1ccc(-c2cnc(OC)nc2OC)c(-n2nc(C)cc2C)c1 97527334 KQDOBLZNFWTXPV-UHFFFAOYSA-N 340.383 2.972 0 50 EFAA CN1CCN(CCOc2ccc(Br)cc2Cl)CC1 230549284 XYNQBHJVCLNQIK-UHFFFAOYSA-N 333.657 2.729 0 50 EFAA CC[C@@H](O)Cn1nc(Cc2cccs2)nc1Cc1cccnc1 95378668 RSANOTMAOKIIHH-CQSZACIVSA-N 328.441 2.687 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nnc(-c2cccnc2)o1 244735111 NTCQBWNIXRKUIA-UHFFFAOYSA-N 338.346 2.779 0 50 EFAA CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 182091928 DZZMSUDFUOCWEX-UHFFFAOYSA-N 343.471 2.878 0 50 EFAA Cc1nc([C@@H]2CCCN2CC(=O)N[C@H](c2ccccc2)C2CC2)no1 299754283 XSQHIOLQTCYKDZ-FUHWJXTLSA-N 340.427 2.782 0 50 EFAA Cc1nccn1CCCN1CC[C@@]2(CC(=O)c3ccccc3O2)C1 252478173 AFDGSOPJLDPBJW-LJQANCHMSA-N 325.412 2.692 0 50 EFAA COc1ccccc1Cn1nccc1NC(=O)N1CCSCC1 299772924 BHEZIQOHZMCKGO-UHFFFAOYSA-N 332.429 2.521 0 50 EFAA Cc1cc(CN(C)C(=O)NCc2ccc3c(c2)nc(C)n3C)no1 584899162 ODGOVKZMNDXIKY-UHFFFAOYSA-N 327.388 2.520 0 50 EFAA CC[C@H](Cn1ccnc1)NC1CCN(c2cccc(OC)c2)CC1 584899148 QYGGVBXDTGUIIQ-MRXNPFEDSA-N 328.460 2.929 0 50 EFAA Cc1nn(C(C)C)cc1C(=O)N[C@H](C)[C@H](C)NC(=O)C1CCCCC1 1380369107 AWOXENUZGRCINF-UONOGXRCSA-N 348.491 2.976 0 50 EFAA C[C@H](NC(=O)c1cc(O)nn1C)c1ccc(OCC2CC2)c(F)c1 1875293579 VRTDNOPQBMUFMT-JTQLQIEISA-N 333.363 2.545 0 50 EFAA FC(F)(F)CN1CCC(CCNc2ccnc3ccnn23)CC1 1875305311 QCMOYCPEDYKHKQ-UHFFFAOYSA-N 327.354 2.806 0 50 EFAA CC(C)(C(=O)NCc1cnon1)[C@H](O)c1cc(Cl)cc(Cl)c1 1875392635 LOBVSAZHBKWMBV-GFCCVEGCSA-N 344.198 2.752 0 50 EFAA NC(=O)c1ccc(Cn2nnc(-c3ccccc3C(F)(F)F)n2)cc1 1875339656 SIBNKGATVHHTHO-UHFFFAOYSA-N 347.300 2.506 0 50 EFAA CCCc1c(NC(=O)[C@@H]2C=C[C@@H]2C(=O)O)cnn1-c1cccc(C)c1 1875318323 FNDOSQSXDPDSGU-CABCVRRESA-N 339.395 2.959 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)/C=C/c1cc(CO)cs1 952980789 RFZZAHTYSLOQKL-BQYQJAHWSA-N 330.453 2.632 0 50 EFAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)c2cccc3cc[nH]c23)C1=O 952873388 WHOPRUJBRCLFNZ-LLVKDONJSA-N 348.362 2.865 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N[C@H](C)CN3CCOCC3)cc2)o1 952966876 XIMLBKWZLXETLT-CQSZACIVSA-N 328.412 2.706 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 886560925 LOJHFNWQVUNSQM-ZDUSSCGKSA-N 341.333 2.519 0 50 EFAA NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(Oc2ccccn2)c1 893944177 WFSIUNSIJWGMMS-IEZWGBDMSA-N 337.423 2.960 0 50 EFAA COc1cc2nc(NC3CC4(CO[C@H](C)C4)C3)nc(N)c2cc1OC 897051223 FHVFOSKVNFMFLL-IOBOVELCSA-N 344.415 2.599 0 50 EFAA Nc1ccsc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565506244 SQBPLZFFRKQSSQ-YPMHNXCESA-N 348.497 2.523 0 50 EFAA CN(C)c1ncc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 271232137 UVPRIRFSRAWLIZ-QZTJIDSGSA-N 326.444 2.631 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NC[C@H]1CCCOC1 408522091 CTDMTQLMBXCDJM-ZIAGYGMSSA-N 340.464 2.565 0 50 EFAA Cc1nocc1CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1 408522719 CKXMHYKURQRJPR-MRXNPFEDSA-N 328.416 2.632 0 50 EFAA Cc1ccc([C@@H](C)[C@H](O)C(=O)N2CCn3c2nc2ccccc23)cc1 677918381 BFVISQBRLPGKKH-KDOFPFPSSA-N 335.407 2.856 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](Cc2ccncc2)C1 222291055 IBIAMBZAILYAAC-RDJZCZTQSA-N 341.430 2.790 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)NCc2ccco2)C2CCOCC2)n1 275332459 QPOTXPBOLXBJIJ-AWEZNQCLSA-N 348.403 2.753 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C[C@H]2CCCCO2)CC1 275901578 IMVBPTIDKVTBHB-RTBURBONSA-N 345.487 2.854 0 50 EFAA O=C(Cc1cccc(F)c1)N(Cc1ccccn1)[C@H]1CCCNCC1 186583694 IEKCEZHHFZGXNQ-IBGZPJMESA-N 341.430 2.934 0 50 EFAA Cc1c([C@@H](C)NC(=O)CNC[C@@H]2CCCO2)oc2ccc(F)cc12 170048840 UFFNHPCFCNLDJQ-OCCSQVGLSA-N 334.391 2.826 0 50 EFAA OC(CN1CCc2ccsc2C1)CN1CCc2ccsc2C1 278296314 JCQITIVDTDDWDG-UHFFFAOYSA-N 334.510 2.587 0 50 EFAA CC(C)C(C)(C)CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 186873146 WGSALBIAPCBBMR-OAHLLOKOSA-N 336.480 2.557 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)N1CCO[C@@H](C(C)(C)C)C1 279654552 XAKBISAFYGKLEV-CYBMUJFWSA-N 338.379 2.891 0 50 EFAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(C)c(=O)c1 187045464 BOHAZJVZQDNGDL-BLLLJJGKSA-N 346.814 2.641 0 50 EFAA CC(C)(C)c1nnc(CNC(=O)c2cnc3cnccc3c2)s1 281463207 IOVRFAMRXOBEHO-UHFFFAOYSA-N 327.413 2.709 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCCC2 188460934 PEFSBIBNJSONEG-SNPRPXQTSA-N 346.427 2.890 0 50 EFAA Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](c2nnc(N)o2)C1 639825506 WKLUDDGUZCJAAP-AWEZNQCLSA-N 339.399 2.995 0 50 EFAA Cc1ccc(C)c(-n2cnc(=O)n2[C@H](C)c2nc(C3CC3)no2)c1 189322450 TZXVOQOIMFENPC-GFCCVEGCSA-N 325.372 2.521 0 50 EFAA Cc1nn(C)cc1NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 189713812 YCESRDVZMFIFRL-KRWDZBQOSA-N 341.459 2.905 0 50 EFAA O=C(Cn1nccc1-c1ccncc1)N1CCC[C@@H](C(F)(F)F)C1 193615387 PRCNEMLPDWSSED-CYBMUJFWSA-N 338.333 2.746 0 50 EFAA CC1(C)CN(CCOc2ccc(C(=O)O)cc2Cl)[C@@H]2COC[C@@H]21 652448913 KHSYGFLHBNZIIV-GXTWGEPZSA-N 339.819 2.774 0 50 EFAA O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)C1=COCCO1 195168579 BYWWHZVSXVUGPP-UHFFFAOYSA-N 337.335 2.959 0 50 EFAA CCS(=O)(=O)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 195305244 MSFNDDZEJQMSFS-UHFFFAOYSA-N 333.812 2.518 0 50 EFAA COCCN1CC[C@H](C(=O)Nc2onc(-c3ccccc3)c2C)C1 1506396443 TUTFPVUYEAEPAH-HNNXBMFYSA-N 329.400 2.557 0 50 EFAA CCc1noc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1C 1529139008 LHTQTLDTQVQPCH-AWEZNQCLSA-N 327.384 2.500 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1ccc(Cl)cc1Br 237396621 CWPDRHNQBIVZGJ-BXKDBHETSA-N 345.668 2.983 0 50 EFAA O=C(Nc1ccc2ccccc2c1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1601614636 RSNATMJHGHKEGC-HNAYVOBHSA-N 340.379 2.795 0 50 EFAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3CCCC3=O)c3cc(F)cc1c32 1740816468 HJONAAYVZVBSEP-ORAYPTAESA-N 329.371 2.925 0 50 EFAA CN1CC[C@@H]2CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1=O 1772809412 ALXJTGDJTIUDGU-UXHICEINSA-N 348.446 2.833 0 50 EFAA CC[C@H](Cc1ccco1)N1CCCN(C(=O)c2cscn2)CC1 1775983407 WUZGAMSLEOTUPJ-CQSZACIVSA-N 333.457 2.905 0 50 EFAA CC(C)(CO)NCc1ccc(OCc2ccc3c(c2)OCCO3)cc1 12381820 QIGURPMJSFFXCH-UHFFFAOYSA-N 343.423 2.897 0 50 EFAA O=c1[nH]c(N2CCc3ccccc3C2)nc(O)c1Cc1ccccc1 12407313 IUGXRIHXAYGHNG-UHFFFAOYSA-N 333.391 2.629 0 50 EFAA O=C(CC1=CCCCC1)NCc1cccnc1N1CCC[C@H](O)C1 12579070 JFYLJADUKCDRSV-KRWDZBQOSA-N 329.444 2.549 0 50 EFAA COc1cc(CNC2CCCC2)ccc1OC[C@@H](O)CN1CCCC1 12748852 PQXKHHHKRUABOY-SFHVURJKSA-N 348.487 2.563 0 50 EFAA Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1Cl 13425418 FQQHNLGXEWTEMI-CQSZACIVSA-N 331.823 2.868 0 50 EFAA CCCCc1cc(-c2nn3c(-c4cccnc4)nnc3s2)n[nH]1 16623248 FPHCRHVUIHMUKM-UHFFFAOYSA-N 325.401 2.981 0 50 EFAA CC(=O)c1cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)cs1 19227128 YQIONGYWILPVCK-INIZCTEOSA-N 338.517 2.865 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(F)cc3)C2=O)cc1 19782527 XNJMIMLVSQLHFB-QGZVFWFLSA-N 342.370 2.646 0 50 EFAA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 154808604 GJCJAPOAFFPNNC-LBPRGKRZSA-N 339.848 2.574 0 50 EFAA Cc1ccc(-c2nccn2C[C@H](O)CN2CCCC2)c2cccnc12 1857699106 IADJLFXOMOXZEK-MRXNPFEDSA-N 336.439 2.863 0 50 EFAA CC(C)n1c(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)nc2ccccc21 1857738073 QJOXJOMHBGOKGO-QHDJUILOSA-N 341.455 2.589 0 50 EFAA COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc[nH]n1 120943970 ZRWFNHVRUNJUJS-ZDUSSCGKSA-N 338.205 2.518 0 50 EFAA Cc1nc2c(cc1C(=O)NCc1ccc3c(c1)COC3)c(C)nn2C 431882977 OGJMIAOZYRQJIC-UHFFFAOYSA-N 336.395 2.545 0 50 EFAA O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCCCO1 330805743 JTQCLAMKLKCJIL-KBPBESRZSA-N 342.233 2.558 0 50 EFAA C[C@H]1CCc2c(sc3ncnc(NCCCN4CCOCC4)c23)C1 19497218 OPDMANVPJNKDLW-ZDUSSCGKSA-N 346.500 2.950 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3ccncc3F)C1)CC2 1704325886 VVSSUFKPJWYSTK-SFHVURJKSA-N 327.407 2.561 0 50 EFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 908017023 SZOPUTABZNETAC-LLVKDONJSA-N 348.296 2.716 0 50 EFAA Cn1nc(-c2ccncc2)cc1C(=O)Nc1ccc(C(C)(C)C)nn1 1120363975 SPJMXXTYNUWHKD-UHFFFAOYSA-N 336.399 2.822 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H](c2ccccc2)O1 2100534340 DFASVROGTRCUOZ-DLBZAZTESA-N 327.428 2.967 0 50 EFAA CC(C)c1cc(NC(=O)c2csc(-c3ncccn3)n2)n(C)n1 2100537228 JUUQCNPSFZOELU-UHFFFAOYSA-N 328.401 2.709 0 50 EFAA CCOc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1 11692989 VDWSOZUQNPCIRD-UHFFFAOYSA-N 341.346 2.640 0 50 EFAA C[C@@]1(NC(=O)c2c(C(F)F)nc3cnccn23)CCC(F)(F)C1 2325766864 XATNMVNIVDGTEL-CYBMUJFWSA-N 330.285 2.975 0 50 EFAA O=C1CCCN1Cc1ccc(-c2noc([C@H]3CCCNCC3)n2)cc1 2325812133 VOPYCVDABCCHRB-INIZCTEOSA-N 340.427 2.716 0 50 EFAA Cc1nc(NC[C@@H](N)c2ccc(F)cc2)c(C)c(-n2cccn2)n1 2325858011 YAHVEFMIQAJTQO-OAHLLOKOSA-N 326.379 2.530 0 50 EFAA COc1ccccc1CCNc1cc(C(=O)N2CCCCC2)ncn1 242496530 BSLLURGTDCIWHQ-UHFFFAOYSA-N 340.427 2.766 0 50 EFAA c1ccc(N2CCN(C3CCN(Cc4ccncc4)CC3)CC2)cc1 316521 POUBCCSIFKFJPW-UHFFFAOYSA-N 336.483 2.868 0 50 EFAA COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 379429 XHKZNQPUPAJKTR-UHFFFAOYSA-N 349.408 2.592 0 50 EFAA O=C(NN1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12 437093 IMOBYDJDCFBSLK-UHFFFAOYSA-N 333.391 2.879 0 50 EFAA O=C(NC[C@H]1CCCO1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 614577 HKPHZUHHXSNXKN-QMTHXVAHSA-N 343.210 2.782 0 50 EFAA CCn1nccc1CN[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 343404165 QIONIROYLRHTGV-ROUUACIJSA-N 337.427 2.709 0 50 EFAA CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC 1137549 UHBIWODCFCNGQT-HNNXBMFYSA-N 340.379 2.620 0 50 EFAA Cn1nc(NC(=O)CNC(=O)c2ccccc2)c2c(Cl)cccc21 2356151983 KMQAUXUXXZRJLE-UHFFFAOYSA-N 342.786 2.595 0 50 EFAA COc1ccc(CN2Cc3nnc(C4CCC4)n3[C@@H](C)C2=O)cc1 2356154452 WNWSAEWLSBYYIK-LBPRGKRZSA-N 326.400 2.658 0 50 EFAA O=S(=O)(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 3086363 PXYDPFBGFBKQRV-UHFFFAOYSA-N 341.845 2.520 0 50 EFAA Cc1csc(N2CCN(Cc3ccc(N4CCCC4)nc3)CC2)n1 133842429 SEFVAOZANURPAU-UHFFFAOYSA-N 343.500 2.769 0 50 EFAA COc1cccc(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 4938450 CXPACKPRTARVBJ-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)c1 6741959 YOFPRBAKQVRZJO-DCNYZXSGSA-N 330.384 2.721 0 50 EFAA CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N 6759781 BDTRBMBPEZUYSV-UHFFFAOYSA-N 331.763 2.512 0 50 EFAA CN(C)CCN(CCn1c(=O)oc2ccccc21)Cc1ccsc1 55099181 JFMULILGJSVQHJ-UHFFFAOYSA-N 345.468 2.720 0 50 EFAA Cc1nc(N2CCN(C)CC2)nc(O)c1Cc1ccc(C(C)C)cc1 8766970 AGISLXPRPHEEEQ-UHFFFAOYSA-N 340.471 2.957 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1cccc(C(=O)N2CCCCC2)c1 344347737 GPDPTMBRIVNMLT-RBUKOAKNSA-N 346.471 2.548 0 50 EFAA O=C(NCc1nnc2n1CCCCC2)c1cc(-c2ccccc2)on1 53282623 SZBUTWZUVVKIOJ-UHFFFAOYSA-N 337.383 2.590 0 50 EFAA Cc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c(F)c1 20103386 XSNWJWOXXQGIGW-HNNXBMFYSA-N 338.342 2.660 0 50 EFAA CN(C)Cc1cn(C2CCN(CCCc3ccccc3)CC2)nn1 55387085 BLCXUWGHTVZPOV-UHFFFAOYSA-N 327.476 2.609 0 50 EFAA CCN1CCC[C@H](NC(=O)N2CCC(OCc3ccccc3)CC2)C1 52593401 SVOLRNHYSVUXCJ-SFHVURJKSA-N 345.487 2.862 0 50 EFAA NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 248656582 WOIBWJOOJAYDQY-IJEWVQPXSA-N 346.789 2.925 0 50 EFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)C(C)(C)C 67654543 LIQOZKVGDBDHMP-UHFFFAOYSA-N 326.444 2.818 0 50 EFAA CC(C)(C(=O)O)C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 310866728 OZXRPUITXBQKDV-UHFFFAOYSA-N 344.455 2.612 0 50 EFAA Cc1ccc(-c2noc([C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n2)o1 350193937 QREKDNVVYDSFSL-KBPBESRZSA-N 343.383 2.547 0 50 EFAA CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1ccccc1)C2 31829557 LRAZAABAHQXGHV-UHFFFAOYSA-N 344.436 2.748 0 50 EFAA Cc1ncsc1CCC(=O)NCc1csc(N2CCCC2)n1 65499431 ZSTDTXBWZZLNIL-UHFFFAOYSA-N 336.486 2.757 0 50 EFAA CC(=O)NCC[C@H]1CCCN(Cc2cc3ccc(C)cc3[nH]c2=O)C1 67834317 FTYMIABBLGUJEU-MRXNPFEDSA-N 341.455 2.575 0 50 EFAA Cn1ccnc1-c1ccc(N2CCc3c([nH]c4ccccc34)C2)nn1 67909552 LHIGCWVQXUSIQS-UHFFFAOYSA-N 330.395 2.921 0 50 EFAA Cc1nonc1OCCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67771723 SCBNHSIEICCOFH-UHFFFAOYSA-N 336.355 2.711 0 50 EFAA Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3c(c2)OCO3)c1 67514605 YJKCEHXHGBQDKE-UHFFFAOYSA-N 340.379 2.791 0 50 EFAA CCCN[C@H](C)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 423990143 HIOBKGNFZBNNFM-CQSZACIVSA-N 333.451 2.567 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)COc1ccc(C(C)(C)C)cc1 120299302 QDJVZZVTFCYCNM-MRXNPFEDSA-N 342.443 2.855 0 50 EFAA COc1ccc(C2(C(=O)N3CC[C@@H](CO)C3)CC3(CCC3)C2)cc1 355011083 LSPXCSHHFKTXJQ-OAHLLOKOSA-N 329.440 2.738 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCO1 172429173 SDJIUMKEEVHSLT-OAHLLOKOSA-N 341.411 2.956 0 50 EFAA CCc1cc(NC(=O)N2CCC[C@H](n3ccnc3CC)C2)n(C)n1 151318535 ABVMGNDITDFASE-AWEZNQCLSA-N 330.436 2.610 0 50 EFAA Cn1cc([C@H](O)C[C@@H]2CCCN2c2ncc(C(F)(F)F)s2)cn1 328589027 XYFVGLXZUVUUHF-WDEREUQCSA-N 346.378 2.988 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C(=O)Nc1ccccc1 152234274 IUCHZASQVQRKNK-ZBFHGGJFSA-N 345.443 2.805 0 50 EFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccc(Cl)o1 328649338 UZLDRSHLXYFPGV-NSHDSACASA-N 339.848 2.950 0 50 EFAA CN1CCC(N(Cc2ccccc2F)C(=O)C[C@](C)(O)C2CC2)CC1 361202460 HQODJFWBDUQROQ-FQEVSTJZSA-N 348.462 2.800 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-n2cccn2)c1 72158589 QYMXYLJOUJFHIP-LJQANCHMSA-N 325.412 2.934 0 50 EFAA O=C(c1[nH]nnc1-c1ccccc1)N1CC[C@H](Oc2ccccc2)C1 369046344 FMFNYJYVZLFKIX-INIZCTEOSA-N 334.379 2.765 0 50 EFAA C[C@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@@H]1N1CCOCC1 173826815 BKAWKEHLZRWHMQ-JXFKEZNVSA-N 338.451 2.561 0 50 EFAA CCc1ccc(CN2CCN(C(=O)CC[C@@H]3CCOC3)CC2)s1 176117014 XNKKGHMBCDDKHN-OAHLLOKOSA-N 336.501 2.771 0 50 EFAA CC1(C)Cc2cccc(CN3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)c2O1 284622274 LCEXQEKDQZUSOB-KURKYZTESA-N 331.456 2.762 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 375371898 XOXFWHQFHCCADT-IBGZPJMESA-N 326.396 2.882 0 50 EFAA Cc1nnc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)n1C 378221888 ZAGYZZNSQYCQNR-UHFFFAOYSA-N 336.351 2.772 0 50 EFAA C[C@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCO1 262941516 HSKGNSLWPMTLBK-YOEHRIQHSA-N 345.439 2.981 0 50 EFAA O=C1C[C@H](C(=O)N2CCC(c3ccncc3)CC2)C2(CCCC2)O1 77407235 WZFMVOLHHQDCGZ-MRXNPFEDSA-N 328.412 2.664 0 50 EFAA Cc1cc(C)c2c(CC(=O)N3CCC[C@@](O)(CO)CC3)coc2c1C 72130654 CTACWXVUAVHVDR-FQEVSTJZSA-N 345.439 2.636 0 50 EFAA COC(=O)c1n[nH]cc1CN(C)CC1(N2CCCCC2)CCCCC1 72426756 YAGOBMSPRCBFRK-UHFFFAOYSA-N 348.491 2.817 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cncnc1-c1ccccc1 378520102 RILRTDOXDAUSHR-INIZCTEOSA-N 349.394 2.771 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1 237996672 ZUEWKWNSZIBSIE-CQSZACIVSA-N 327.384 2.732 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)s1 237999176 ZVKXPJAEEVTLBB-LBPRGKRZSA-N 335.356 2.799 0 50 EFAA Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Oc3ccccc3)o1)CC2 176262374 NHDMKBMYKKXOEI-ZDUSSCGKSA-N 338.367 2.717 0 50 EFAA CN(C(=O)Cn1ccc(=O)c2ccccc21)C1Cc2ccccc2C1 220375551 WRZLRZHRBBDVDO-UHFFFAOYSA-N 332.403 2.627 0 50 EFAA CCc1ccnc(CNC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 241383428 MVGSNPSAWDPWDJ-ZWKOTPCHSA-N 343.402 2.801 0 50 EFAA Cc1cc(N2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)ccn1 223350304 NDURQZNZPMFNAW-IBGZPJMESA-N 335.451 2.844 0 50 EFAA O=C(NCCn1ccc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 426582906 VRNBHCSYTSDNDD-INIZCTEOSA-N 337.427 2.954 0 50 EFAA O=C([C@@H]1CC=CC[C@H]1c1nc([C@@H]2CCCS2)no1)N1CCOCC1 289139399 SHGJUWSBJXWDLH-MCIONIFRSA-N 349.456 2.546 0 50 EFAA CC[C@](O)(CCCO)CNC(=O)c1cc(Cl)c(C)c(Cl)c1 95365894 RSSVRLHCMXHLEI-HNNXBMFYSA-N 334.243 2.945 0 50 EFAA Cc1ccccc1[C@@H](CNC(=O)CCc1n[nH]c(C)c1C)N(C)C 97155617 BGOREGAQHFERRR-GOSISDBHSA-N 328.460 2.687 0 50 EFAA Cc1ccc(CN2CCN(CC(=O)NCCC3=CCCCC3)CC2)o1 22751961 BJYCHFLLGAQNBA-UHFFFAOYSA-N 345.487 2.712 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)NCCCCc1ccccn1)CO2 91474821 ORAQVGPKTHAPKH-MRXNPFEDSA-N 340.423 2.780 0 50 EFAA COCCN1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 97785338 YQUKZZQMGZSIFN-FQEVSTJZSA-N 338.451 2.938 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccccc1Cl 239415441 UMDAVQUXEITNGP-MZUWNQQASA-N 328.799 2.763 0 50 EFAA O=C(O)CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 238172661 XNENJMXBEQWATM-UHFFFAOYSA-N 330.818 2.658 0 50 EFAA Cc1cccc2oc(CCNC(=O)[C@@H]3COc4ccccc4O3)nc12 266339711 LWIARHGAPMUFMQ-INIZCTEOSA-N 338.363 2.635 0 50 EFAA Cn1ccnc1CC1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 181863580 YSQORZHZRCXRQC-OAHLLOKOSA-N 348.491 2.730 0 50 EFAA O=C(Nc1nnc(C2CCOCC2)s1)N1Cc2ccccc2C1 297160527 GUCQAGJBDATZFA-UHFFFAOYSA-N 330.413 2.980 0 50 EFAA COc1ccc(CN(C(=O)[C@@H]2CNC[C@H]2C(F)(F)F)C2CC2)cc1 299741629 HAFWCYHQXDEUNV-HUUCEWRRSA-N 342.361 2.584 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1ccc(Oc2ccccc2)c(F)c1 299748292 GTDVKAHSILWMRG-JDFRZJQESA-N 344.386 2.518 0 50 EFAA NC(=O)c1cnc(N[C@H]2CCCO[C@@H]2c2ccncc2)c(Cl)c1 299741213 DUHIZVPAJIFMTQ-UONOGXRCSA-N 332.791 2.561 0 50 EFAA Nc1nc(C(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)cs1 534575331 VAPINBHSNYFQSI-SNVBAGLBSA-N 336.848 2.635 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)N2CCC(CCN3CCCC3)CC2)[nH]1 534639265 OWPCLTFRIQBQHO-OAHLLOKOSA-N 333.480 2.687 0 50 EFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc2ccc(Cl)cc2n1C 299764278 STPNAZVCESSSFN-YOEHRIQHSA-N 349.862 2.669 0 50 EFAA CCOc1ccc(NC(=O)NCCN2CCCOC2=O)cc1Cl 299788679 WMWBPKLOBDHMBI-UHFFFAOYSA-N 341.795 2.703 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@H]2c2nccs2)c1C 827939696 VBUHWLZFSDHBDQ-AWEZNQCLSA-N 346.456 2.913 0 50 EFAA Cc1cccn2c(CC(=O)N(C)C[C@H]3Cc4ccccc4O3)cnc12 584890513 YWVJJOKQNWTRCX-QGZVFWFLSA-N 335.407 2.647 0 50 EFAA O=C(O)C1(C(=O)NCc2ccc(OC(F)F)cc2F)CCCC1 864217992 VWRXCGBEVRQAOI-UHFFFAOYSA-N 331.290 2.688 0 50 EFAA CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cccnc2)CC1(C)C 865215383 PODKZSLQYIESCU-UHFFFAOYSA-N 343.431 2.912 0 50 EFAA Oc1ncc(CNc2cc(C(F)F)nc3ncnn23)c2ccccc12 1458624848 VLKFHJGVAKWRBD-UHFFFAOYSA-N 342.309 2.928 0 50 EFAA O=S(=O)(Cc1ccc(Br)cc1)NCc1ccco1 16576913 PWOSAYUNZBMYAR-UHFFFAOYSA-N 330.203 2.662 0 50 EFAA Cn1cc(Br)c(=O)c(C(=O)NCC(C)(C)C2CCC2)c1 1775993629 SUFPQPSGVLXKIP-UHFFFAOYSA-N 341.249 2.704 0 50 EFAA Oc1cccc([C@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)c1 301956109 KXDLHRNKMMJQOA-GFCCVEGCSA-N 325.290 2.779 0 50 EFAA Cc1ccc(C2(CNC(=O)C3CCS(=O)(=O)CC3)CCC2)cc1C 408515069 IOVNNWZGPXZCAJ-UHFFFAOYSA-N 349.496 2.666 0 50 EFAA O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(=O)[nH]n1 109307679 LZIISGNQSKNRJQ-UHFFFAOYSA-N 329.425 2.605 0 50 EFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C[C@@H]1CCOC1)C1CC1 221936470 CWDPFKFGHWAJMH-XRQSOVCCSA-N 333.472 2.735 0 50 EFAA O=C(Nc1ccc(Cn2cccn2)cc1)c1c[nH]nc1-c1cccnc1 109619990 FHAJACFOFHBTNN-UHFFFAOYSA-N 344.378 2.969 0 50 EFAA COc1ccccc1[C@H](C)NC(=O)c1cccn1C1CCNCC1 169974186 JYSVJIQOALLTTJ-AWEZNQCLSA-N 327.428 2.912 0 50 EFAA Cc1cc2c(N3CCC[C@H]3CNC(=O)OC(C)(C)C)nccn2n1 170598885 FNIGNVSHOXEOAM-ZDUSSCGKSA-N 331.420 2.531 0 50 EFAA CC1=C(Br)CN(CCn2cnc3ccccc3c2=O)CC1 280706188 HFUULKBFPUEZAY-UHFFFAOYSA-N 348.244 2.771 0 50 EFAA Cc1noc([C@@H]2CCCN(CCc3nc(-c4ccccc4)no3)C2)n1 172075109 HVRUVETZVLIHMD-OAHLLOKOSA-N 339.399 2.850 0 50 EFAA COCC[C@H](CO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1 281536013 ZBRJFJIMXCHDQH-GFCCVEGCSA-N 330.812 2.646 0 50 EFAA CCOC(=O)NCC(=O)Nc1cc(Br)c(F)cc1C 191176642 HXRDAZRDMJUXQU-UHFFFAOYSA-N 333.157 2.581 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1 644886551 FWVMLQZBBOEUMQ-UHFFFAOYSA-N 333.823 2.677 0 50 EFAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 646801557 ALUPCMWXNDCGDX-IMJJTQAJSA-N 341.459 2.698 0 50 EFAA CCCNC(=O)C1CCN(C(=O)c2ccc3ncsc3c2)CC1 192878502 UEFLLJDDZUMFHF-UHFFFAOYSA-N 331.441 2.675 0 50 EFAA Cc1ccc(N2CCC(NCc3cc(O)ncn3)CC2)cc1Cl 1506407409 RUWZWMMFVAZPBF-UHFFFAOYSA-N 332.835 2.903 0 50 EFAA Cc1cc(N2CCCN([C@@H](C)Cn3nc(C)cc3C)CC2)ccn1 1506411841 UWXLAZQGVZFTQR-SFHVURJKSA-N 327.476 2.804 0 50 EFAA Cc1cc(N2CCC[C@@H](CNC(=O)c3csc(C)n3)C2)ccn1 1506422610 DIMQXGWHFXCEOB-AWEZNQCLSA-N 330.457 2.801 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 11692969 GKRCMSLBIYHXOY-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA Cc1ccc(S(=O)(=O)Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1 16309129 CHQGJRGAXDRBPT-UHFFFAOYSA-N 330.365 2.543 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)cc1C 17821517 XGLVWJQEWKNOEZ-OKILXGFUSA-N 327.446 2.500 0 50 EFAA CC(C)CC(=O)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19315756 OJDWWJSHQZGKCJ-KOLCDFICSA-N 331.671 2.614 0 50 EFAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 19856855 IITHIXWBSQNBAI-UHFFFAOYSA-N 341.285 2.506 0 50 EFAA COc1cc(-c2nc(CNC(=O)c3cccn3C)c(C)o2)ccc1O 1857679615 ZEMNNAWJBWWEDV-UHFFFAOYSA-N 341.367 2.633 0 50 EFAA Cc1ccc(CN2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)c(F)c1F 1875240059 GUIHQXFOFNHEST-KBXCAEBGSA-N 339.382 2.711 0 50 EFAA O=C(CCc1nncn1-c1ccccc1)NC[C@@H]1CCC(F)(F)C1 225481009 OPKXYPJWCHXYDO-CYBMUJFWSA-N 334.370 2.752 0 50 EFAA O=C(O)c1cccc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 416461737 NGDPDKDEDRSMHA-CYBMUJFWSA-N 325.368 2.635 0 50 EFAA CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1cncn1 12455320 DDYHBKFJSCLUBS-QGZVFWFLSA-N 337.427 2.932 0 50 EFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)nc(C)n1 247978555 WFVIBPRXKSQPQO-WBVHZDCISA-N 328.460 2.575 0 50 EFAA CCOC[C@@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)C(C)C 252492489 MNONNMKTKAUVGP-MRXNPFEDSA-N 345.447 2.703 0 50 EFAA COC(=O)c1cncnc1NCc1c(C)nn(-c2ccccc2)c1C 253415461 WQILKNURAVUJLZ-UHFFFAOYSA-N 337.383 2.678 0 50 EFAA CC[C@H](CO)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 155731665 CGZUVCDLCNNLNR-RDDDGLTNSA-N 326.265 2.638 0 50 EFAA O=C(O)Cc1cccc(C(=O)N2CCCN(c3ccccc3)CC2)c1 911251473 KWGLOBKMZFNLJR-UHFFFAOYSA-N 338.407 2.666 0 50 EFAA O=C(c1cccc(Nc2nccs2)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 827696562 JYMWLMOJNIYGAA-NILFDRSVSA-N 329.425 2.872 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cnc(O)cc1OC 931028406 DXOIATLACYUCNL-MRXNPFEDSA-N 342.395 2.954 0 50 EFAA COc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@@H]43)nn2C)cc1OC 933243018 GMZPWNYYGVQNHU-HIFRSBDPSA-N 341.411 2.729 0 50 EFAA O=C(NCCc1cccc(O)c1)[C@H]1CC[C@H](Nc2cnccn2)CC1 934942456 RCFKTXCMGGWMLT-WKILWMFISA-N 340.427 2.512 0 50 EFAA O=C(NCc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12 1120675241 GQGRWDHHWIWXPD-UHFFFAOYSA-N 349.366 2.931 0 50 EFAA C=CC(=O)N(C)CC(=O)NCC(C)(C)c1ccc(F)cc1Cl 859369722 HRJXRTYYKQONIM-UHFFFAOYSA-N 326.799 2.517 0 50 EFAA COc1cccc(NC(=O)[C@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 202662 QPYXDYFTEKSINJ-KDOFPFPSSA-N 333.384 2.525 0 50 EFAA biogenic COc1ccc([C@H](CC(=O)NC(C)(C)c2cnn[nH]2)C(F)F)cc1 2325773568 YODCUJRIPVISRX-LBPRGKRZSA-N 338.358 2.604 0 50 EFAA Cc1nc(C)n(CCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 2325797257 QVDYKKIKUAPIRX-UHFFFAOYSA-N 338.415 2.726 0 50 EFAA COC1CCC(C(=O)N=c2cc(-c3cccc4c3OCC4)[nH][nH]2)CC1 2325811012 XIGZYFAERYHIGX-UHFFFAOYSA-N 341.411 2.577 0 50 EFAA C[C@H]1CCO[C@@H]1CC(=O)N1CCC(c2cccc(C(=O)O)c2)CC1 2325812914 QWGWKOQDANOWGQ-SUMWQHHRSA-N 331.412 2.906 0 50 EFAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)N1CCc2cnccc2C1 2325841105 DAEFNXREIHHXIU-UHFFFAOYSA-N 338.342 2.888 0 50 EFAA C[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1ccc(C(=O)O)cc1 2325871026 ZEJFAOZKVCTQRV-MRVPVSSYSA-N 339.273 2.685 0 50 EFAA O=c1sc2cc(CCCO)ccc2n1CCN1CCCCCC1 115864390 DHPSNZMSULXNBM-UHFFFAOYSA-N 334.485 2.864 0 50 EFAA COc1ccc(CNC(=O)C2CCN(Cc3ccccn3)CC2)cc1 2828189 GADUMAVUMPDADC-UHFFFAOYSA-N 339.439 2.619 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1cccc(C)c1 4868575 GBEMMGJRCXVOBF-UHFFFAOYSA-N 349.408 2.592 0 50 EFAA C[C@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O 6587099 FQIFGZNOZKLQQY-SECBINFHSA-N 330.290 2.588 0 50 EFAA CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(C)c(C)c1 6699134 HNTZTUQQUJDFMY-GFCCVEGCSA-N 334.445 2.632 0 50 EFAA C[C@@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1 6700223 OTPNPJIEBQCWGN-ZWNOBZJWSA-N 328.206 2.512 0 50 EFAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cl)s1 6725445 PLNZNDLEVBKPNU-UHFFFAOYSA-N 331.802 2.609 0 50 EFAA Cn1cc([C@@H]2CN(CCc3ccc4ccccc4c3)C[C@H]2CO)cn1 225534060 UCFHGIAAGCMMRI-SFTDATJTSA-N 335.451 2.824 0 50 EFAA Cc1cc(C(=O)NCCCn2nc(C)nc2C)c2cccc(C)c2n1 55090054 RSSSTTDSWZDMOO-UHFFFAOYSA-N 337.427 2.880 0 50 EFAA COc1ccccc1CC(=O)N(CCO)Cc1ccc(SC)cc1 55054238 NUHYBTISLYMOJG-UHFFFAOYSA-N 345.464 2.981 0 50 EFAA CSC1(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)CCC1 345828100 KBHAYFRZALNYKW-UHFFFAOYSA-N 338.498 2.627 0 50 EFAA Cc1ccc2nc(C)cc(C(=O)N3CCC(c4nncn4C)CC3)c2c1 24693761 ORUDYIWQBLHUTF-UHFFFAOYSA-N 349.438 3.000 0 50 EFAA CCN(C(=O)c1ccccc1NCC(=O)O)[C@H]1CCOC(C)(C)C1 65506089 WZJUHCWLHHLBMY-ZDUSSCGKSA-N 334.416 2.603 0 50 EFAA O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1Cl 14193216 VKLCWJCOCSIADG-UHFFFAOYSA-N 345.226 2.771 0 50 EFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2Cl)o1 68060349 UPCWEQARSDMBAM-UHFFFAOYSA-N 341.816 2.765 0 50 EFAA Cc1nn(CCO)c(C)c1CN[C@@H](C)c1ccccc1-n1cccn1 305057608 FORCNKAXYFPJCO-AWEZNQCLSA-N 339.443 2.529 0 50 EFAA C[C@H]1CCCN(CCC(=O)N2CCN(c3ccccc3F)CC2)C1 20539976 CUJBWEPOFJDTJS-INIZCTEOSA-N 333.451 2.596 0 50 EFAA Cc1c(CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cnn1C 122068984 PFDRUNPTZBIIFV-AWEZNQCLSA-N 348.834 2.745 0 50 EFAA COCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)c(C)c1 326666248 IZXGTAHWUWLRDT-UHFFFAOYSA-N 349.408 2.683 0 50 EFAA O=C(COCCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253396404 OKSQKDJJJQQDLK-OTWHNJEPSA-N 331.456 2.788 0 50 EFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccc3oc(C)nc13)CC2 328588400 FHZPOSMZAZCOOH-HOTGVXAUSA-N 344.411 2.528 0 50 EFAA CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 1734034 IVQOFBKHQCTVQV-UHFFFAOYSA-N 327.424 2.808 0 50 EFAA biogenic,investigational CCc1cc(CNc2nc(-c3cccnc3)nc3c2c(C)nn3C)on1 72408060 PZEGEROLLAGDAH-UHFFFAOYSA-N 349.398 2.896 0 50 EFAA CC(C)Cn1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 282510945 LBDDHTPCIRMUQO-SJORKVTESA-N 331.391 2.626 0 50 EFAA CC(C)C(=O)N1CCC(N2CC[C@H](c3ccc(C(=O)O)cc3)C2)CC1 72147819 NXVXJHKIJCKUCO-KRWDZBQOSA-N 344.455 2.821 0 50 EFAA O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1cn2c(n1)CCCC2 364676557 MOVRZTSSFSRMIS-UHFFFAOYSA-N 349.309 2.577 0 50 EFAA CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)C12CCOCC2 366418644 QBMYWKBIAXSNKZ-OWSLCNJRSA-N 345.439 2.586 0 50 EFAA Cc1cc(Br)cc(C(=O)Nc2ncc(C(N)=O)s2)c1 127055541 SHLSZIOLSRALPJ-UHFFFAOYSA-N 340.202 2.565 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3ncoc3C)C2)cc1 77406103 JTBRYRCMHFDWTP-CQSZACIVSA-N 330.384 2.923 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 283357173 YGWHWLKRYCBJBC-KBPBESRZSA-N 333.457 2.827 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)cc1 370942324 OVUUBKFRKYMJRW-OAHLLOKOSA-N 340.383 2.870 0 50 EFAA CC(=O)Nc1ccc2nc(-c3nccn3CCn3cccn3)ccc2c1 71752005 IAIHYOQILCXBNX-UHFFFAOYSA-N 346.394 2.953 0 50 EFAA Cc1nc2ccccc2nc1CN1CC[C@@H](C(N)=O)c2ccccc21 372276601 ADMBVPPFYUOXQR-OAHLLOKOSA-N 332.407 2.917 0 50 EFAA C[C@H](C(=O)NCc1ccccc1-n1ccnc1)n1cc(Cl)cn1 71753132 WDFCBFYHJHIOQN-GFCCVEGCSA-N 329.791 2.600 0 50 EFAA Cc1cc(C(=O)NC2(C(N)=O)CCCC2)c2ccc(Cl)cc2n1 216026242 KPCLATMAKOONRN-UHFFFAOYSA-N 331.803 2.725 0 50 EFAA C[C@@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)ncn2)C1 334136617 YWYNIQSPVMFKKC-CHWSQXEVSA-N 344.846 2.857 0 50 EFAA CC[C@@H]1CN(Cc2cnn(CC)c2)CCC(=O)N1Cc1ccccc1 71439907 FSBOSBYWLLJGKC-LJQANCHMSA-N 340.471 2.916 0 50 EFAA COc1ccc(CNC(C)(C)c2nnc3n2CCCC3)c(OC)c1 449464185 XXSCFHVHBLKLBN-UHFFFAOYSA-N 330.432 2.657 0 50 EFAA CCC1(CC)[C@@H](NC(=O)Cc2sc(S)nc2C)C[C@H]1OC 133272967 BPOIJIHLXDOLSW-NWDGAFQWSA-N 328.503 2.993 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)nc(C)n1 82092580 RDWCUPBRDPPSEX-INIZCTEOSA-N 339.443 2.720 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 49758438 BLMLSTOHNQMSFO-CQSZACIVSA-N 338.411 2.602 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CC[C@@](C)(O)C3)cc2)c(C)c1Cl 177374952 VJATURNPJLGZFQ-QGZVFWFLSA-N 333.819 2.739 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)n(C)n1 223337081 CVEYRQRZWLYEAN-LIRZEXBASA-N 331.460 2.867 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CC(Oc2ccccc2Cl)C1 82087919 SMILEKZQYWJIKT-UHFFFAOYSA-N 331.755 2.972 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCC(c3ccncc3)CC2)n1 426518151 AZJSBSLYVOFJAU-OAHLLOKOSA-N 341.459 2.873 0 50 EFAA COCc1nc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cs1 291215362 OAOATIJYAKEXDV-CQSZACIVSA-N 331.441 2.989 0 50 EFAA COc1ccccc1C1CCN(C(=O)CCn2ccc(C)n2)CC1 222472597 DGHZSLCOXHZPSV-UHFFFAOYSA-N 327.428 2.996 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2)n1 237680997 TVWBMKHKJHVSDX-INIZCTEOSA-N 327.384 2.568 0 50 EFAA CO[C@H]1CCCOC12CCN(C(=O)CCc1scnc1C)CC2 95369150 WHDFEABWTJIXSH-HNNXBMFYSA-N 338.473 2.571 0 50 EFAA COc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cn1 96163772 HQLRWQYTQANKLV-KRWDZBQOSA-N 340.427 2.876 0 50 EFAA COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CCNC2)cc1OC 237270844 BNQLUYYQIFFNJA-IRXDYDNUSA-N 346.471 2.627 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1ccc(C(=O)N(C)C)cn1)C2 95363475 ODVSNPFXLJQICJ-CYBMUJFWSA-N 326.396 2.586 0 50 EFAA CC(C)CCn1nccc1NC(=O)N(C)CCCc1cnn(C)c1 95510169 OFZZTERIKRGURW-UHFFFAOYSA-N 332.452 2.759 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CCC(=O)O 237418857 OHKVLEFRHWGATM-SNVBAGLBSA-N 333.363 2.611 0 50 EFAA COCCN(Cc1ccccn1)C(=O)[C@H](c1ccc(C)cc1)N(C)C 91932860 FREKHCAICPBVNZ-IBGZPJMESA-N 341.455 2.668 0 50 EFAA Cc1cnccc1NCCNC(=O)Nc1cc(C(C)(C)C)nn1C 96180504 YXORKXNSAIMVBP-UHFFFAOYSA-N 330.436 2.655 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCCSC(F)(F)F)C2 95374816 BTIYKHIHGDCSLM-SNVBAGLBSA-N 335.347 2.616 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 97574874 OGTPHECEGPFRFL-ZIAGYGMSSA-N 346.814 2.928 0 50 EFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NC1CCN(c2ccc(F)cc2)CC1 244816804 SORARWMWCTWEBT-BEFAXECRSA-N 345.462 2.785 0 50 EFAA COc1ccc(F)cc1[C@H](NC(=O)c1cc[nH]c1C)[C@H]1C[C@@H](O)C1 244884267 YIQJRQWIGPGKTF-BTJLNZGRSA-N 332.375 2.713 0 50 EFAA CC[C@@H](C(=O)NCCCc1nc2cc(F)ccc2[nH]1)n1cccn1 244795439 RGKLJJCDVQTMAC-HNNXBMFYSA-N 329.379 2.599 0 50 EFAA CNc1ccccc1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 298949942 NTRHYBSAWWNHEO-CYBMUJFWSA-N 329.375 2.946 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1Cc2cccc(F)c2O1)c1ccc(F)cc1 299750915 OTQULXZVUUAISN-LSDHHAIUSA-N 347.317 2.601 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)NCC2=CCCCC2)cc1 299783195 KMLCIRYXJACGGC-UHFFFAOYSA-N 331.416 2.685 0 50 EFAA CCCn1cc(NC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)nn1 299791642 DWMCXFSGWOUFEC-CYBMUJFWSA-N 348.476 2.536 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2nonc2C)cc1 863984598 WXHPHXADQXHPEV-AWEZNQCLSA-N 332.448 2.949 0 50 EFAA Cc1ccccc1CN1CCN(C2CCSCC2)C[C@H]1CCO 828747635 RVLQUATZQNWYKU-LJQANCHMSA-N 334.529 2.759 0 50 EFAA C[C@@H](Cn1cncn1)C(=O)NCCc1ccc(Cl)cc1Cl 827628042 MLLIYXKDJYMTNV-JTQLQIEISA-N 327.215 2.580 0 50 EFAA Cn1nccc1CCC(=O)NCC1CCN(C[C@@H]2CC=CCC2)CC1 827822420 KDSOAVBBYJOVGQ-GOSISDBHSA-N 344.503 2.537 0 50 EFAA COc1cccc2c1OC[C@@H](NC(=O)C1(N3CCCC3)CCCC1)C2 824801318 JPKRCOLQVXQHOZ-INIZCTEOSA-N 344.455 2.524 0 50 EFAA Cc1nnc(SCC(=O)N(C)Cc2ccnc3ccccc23)o1 584895429 FUFXSBZJHFYANV-UHFFFAOYSA-N 328.397 2.677 0 50 EFAA CC[C@@H](NC(=O)c1ccc(Cn2cnnn2)cc1)c1cccs1 670453912 WEOJMNCMNWJWSP-CQSZACIVSA-N 327.413 2.664 0 50 EFAA C[C@H](NC[C@@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 685940646 QPHPNOIAWWIUJD-BLLLJJGKSA-N 340.489 2.991 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)C(F)(F)F)[C@@H]1C(=O)O 1875290648 VOEPLWTXPWGUHG-NKWVEPMBSA-N 333.253 2.894 0 50 EFAA CC1(c2ccccc2C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)CC1 1875401018 QIZBIGKBXBUUFA-ZTFGCOKTSA-N 339.439 2.504 0 50 EFAA CCCCC[C@H](C)NC(=O)Cc1sc(CS(C)(=O)=O)nc1C 952882233 USYQJVRFQPEVJT-NSHDSACASA-N 346.518 2.624 0 50 EFAA O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)N1CCC[C@@H]1CO 952993369 MVXUIYAONXIUIJ-IUODEOHRSA-N 328.334 2.557 0 50 EFAA CCc1ccccc1C(=O)NCC1CCN(C(=O)CSC)CC1 948741772 DQYWSRNKWBYNLC-UHFFFAOYSA-N 334.485 2.580 0 50 EFAA CC(=O)Nc1ccc(C)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc21 952985247 AGNHXDRZJUEAGE-INIZCTEOSA-N 337.379 2.767 0 50 EFAA CSc1cccc(CN(C(=O)CN2CCCN(C)CC2)C(C)C)c1 952865955 ZSJXCOOFYBJIJM-UHFFFAOYSA-N 349.544 2.783 0 50 EFAA CSCC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)O 952983847 RYVFBRNQHRJTRW-MLRMMBSGSA-N 336.438 2.632 0 50 EFAA Cn1cnnc1CC1CCN(c2ccnc(Cc3ccccc3)n2)CC1 1337998237 VELCNPKNWGJIDI-UHFFFAOYSA-N 348.454 2.655 0 50 EFAA COc1c(F)cc(S(=O)(=O)Nc2c[nH]nc2C(C)C)cc1F 1775999973 FJMXJUWCCLQBIP-UHFFFAOYSA-N 331.344 2.621 0 50 EFAA COc1ccc(Cn2ncc3cscc3c2=O)c(OC)c1OC 899350969 VLQFEUPHUMWWCV-UHFFFAOYSA-N 332.381 2.532 0 50 EFAA CC(C)(C)[C@@H](COc1ccccc1F)Nc1ccc2nnnn2n1 169984828 WDZDSVUUXXLFQG-CYBMUJFWSA-N 330.367 2.564 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](c2ccccn2)C1 408518118 VBZDDYVQGQDQPT-AWEZNQCLSA-N 333.432 2.702 0 50 EFAA C[C@H]1C[C@@H](NC(=O)Nn2cnc3ccccc32)CN1c1ccccc1 170644628 GHVIDXQTEJCBPS-LSDHHAIUSA-N 335.411 2.957 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2ccc3cccc(Cl)c3n2)[C@H]2CCO[C@H]21 1074561263 QGMGUPHLGXJAEH-FCLUMBPUSA-N 346.814 2.668 0 50 EFAA CN(C)c1ccc(NC(=O)[C@@H]2CCCCC(=O)N2)c(C(F)(F)F)c1 193872094 BEPFGLISHRRFPY-ZDUSSCGKSA-N 343.349 2.769 0 50 EFAA O=S(=O)(CC[C@H]1CCCO1)N[C@@H]1CCCc2c(F)cc(F)cc21 650028260 OIASXUHEPSAQKV-MLGOLLRUSA-N 345.411 2.831 0 50 EFAA CC1(C)CCN(Cc2cc(F)cc3cccnc23)CCS1(=O)=O 194958006 RCKFGMHKXVFXIK-UHFFFAOYSA-N 336.432 2.773 0 50 EFAA Cc1n[nH]cc1CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 195137352 RKCXWEGJCVRIAF-CHWSQXEVSA-N 328.416 2.580 0 50 EFAA O=C(c1cnc(-c2cccnc2)s1)N1CCC[C@@H]1c1ncon1 655100105 JYIRPQPTLDXNRU-LLVKDONJSA-N 327.369 2.565 0 50 EFAA O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CC(=O)N(c2ccccc2F)C1 198824105 FDSVWYAAIIZSHC-LBPRGKRZSA-N 338.342 2.694 0 50 EFAA Cc1c(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cnn1C 1529154896 LNQKDUCBFSPHCN-ZWKOTPCHSA-N 325.412 2.721 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)c2cn3ccsc3n2)C[C@@H]1O 210197843 ZYRPZIFRYLJMLA-AAEUAGOBSA-N 347.465 2.756 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-c1ccccc1)C2 1704316074 UVJQMUQSKLYGPS-AEFFLSMTSA-N 336.435 2.756 0 50 EFAA CCN(Cc1c(C)nn(C)c1C)C(=O)c1cnn2cccc(C)c12 1772712250 QEWUIIZAFGTPCX-UHFFFAOYSA-N 325.416 2.655 0 50 EFAA COc1cccc(CCc2nnc(CCC(=O)NC3CCCC3)o2)c1 12385992 ZDRMVKCIIJGERL-UHFFFAOYSA-N 343.427 2.855 0 50 EFAA O=C(CCn1cccn1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 12581838 MQGIPIYDSZUAHZ-QGZVFWFLSA-N 347.422 2.924 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCC[C@H]1C)C2 14958014 HTIMQIGUEUFHPG-GHMZBOCLSA-N 349.456 2.638 0 50 EFAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)NC2CC2)C1 15074242 KPSSZSPUHZLBBH-ZDUSSCGKSA-N 338.883 2.653 0 50 EFAA CCCCc1n[nH]c(SCC(=O)Nc2nnc(C(C)C)s2)n1 18220071 VTFNENQWHAWJPR-UHFFFAOYSA-N 340.478 2.853 0 50 EFAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)C[C@@H]1COCCO1 19112274 SXJNWUOBHZXVGW-CYBMUJFWSA-N 338.354 2.775 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 19533475 LEFMFIUYTZNGGI-XKQJLSEDSA-N 330.428 2.886 0 50 EFAA O[C@H](Cn1ccc(-c2cccc(-c3ncccn3)c2)n1)C(F)(F)F 19952317 KKONKSFWLYOXTB-CQSZACIVSA-N 334.301 2.930 0 50 EFAA Cc1cc2c(NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)nccn2n1 225488350 XNFWSYNWTRYLJA-SMDDNHRTSA-N 328.338 2.933 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)c2c(O)cccc2F)CC1 332142383 RUWKTWWQLWHPLL-UHFFFAOYSA-N 330.359 2.918 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 237473244 YRPOUWCHANMINC-DOMZBBRYSA-N 331.391 2.752 0 50 EFAA COc1ccc(CN(C)C(=O)c2cc(O)nc(C3CC3)n2)cc1Cl 655147355 COAXIHSGMJXLQR-UHFFFAOYSA-N 347.802 2.994 0 50 EFAA O=C(Cc1cccnc1)Nc1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1 1875385214 OLVWHLXCYYJLQN-MBSDFSHPSA-N 337.423 2.736 0 50 EFAA O=C(N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1(O)CCCC1 253415739 PUWQUDZKBFMIEQ-CQSZACIVSA-N 327.783 2.684 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 253416279 PKUKDYJDWNGKPV-GFCCVEGCSA-N 346.818 2.564 0 50 EFAA Cn1cc(-c2ccc(F)c(C(=O)NC[C@@]3(C)CCCC[C@@H]3O)c2)cn1 360409215 VACCWDJEGXVZPF-PKOBYXMFSA-N 345.418 2.897 0 50 EFAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1cccc(CO)c1)CC2 368277688 CPDUBHRTTXQHIF-AWEZNQCLSA-N 325.408 2.990 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)c2cc(Br)ccc2n1 157837955 LIGHPAFWQJGQIB-GFCCVEGCSA-N 348.244 2.869 0 50 EFAA CC[C@@](NC(=O)CC1CCOCC1)(C(=O)O)c1ccc(Cl)cc1 262272897 YONCPUUOZHCSMW-KRWDZBQOSA-N 339.819 2.963 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1 263478056 ZQMBGVQKOPBWMK-OAHLLOKOSA-N 342.370 2.923 0 50 EFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccno1)O2 935261026 VFXAVRXNNCTCNV-SFHVURJKSA-N 330.384 2.706 0 50 EFAA C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1cccc(C(N)=O)c1 363134648 JSIBOSCWOWYDLE-QGZVFWFLSA-N 337.467 2.882 0 50 EFAA CC1(C)C[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC[C@@H]1O 2325783853 HQLRCAAZSHYCSI-SJORKVTESA-N 340.423 2.915 0 50 EFAA O=C(O)[C@@H]1Cc2c(F)cccc2CN1Cc1noc2c1CCCC2 2325787222 KODSASBEANQZLJ-INIZCTEOSA-N 330.359 2.704 0 50 EFAA COC1(C(F)(F)F)CC(NC(=O)c2cccnc2N2CCCC2)C1 2325797114 LYTRWQIPWGNMSP-UHFFFAOYSA-N 343.349 2.522 0 50 EFAA CN(C)Cc1ccccc1C(=O)NCc1nc2cnccc2s1 2325857940 VJOYRPIFLBHWIJ-UHFFFAOYSA-N 326.425 2.683 0 50 EFAA Cn1nc(C2CC2)cc1C(=O)N1CCC(F)(c2ccccn2)CC1 935882222 HXQQCCZBMRZKOJ-UHFFFAOYSA-N 328.391 2.794 0 50 EFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(Br)ccc1F 110063 SCUXHZNCDFYLLT-JTQLQIEISA-N 342.164 2.639 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccco1 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O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2nccc(C(F)(F)F)n2)C1 225646975 FPWQMHJORRZZPZ-NEPJUHHUSA-N 327.281 2.947 0 50 EFAA CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 8969133 WXXLJSNJYGZFEL-UHFFFAOYSA-N 342.833 2.881 0 50 EFAA CC(C)NC1CCN(C(=O)NCc2nc3ccccc3s2)CC1 111789807 QIDBLUZSAHHBLQ-UHFFFAOYSA-N 332.473 2.968 0 50 EFAA N=c1n(CCO)c2ccccc2n1CCOc1ccccc1Cl 20065780 BYBYYJACVOEYSP-UHFFFAOYSA-N 331.803 2.647 0 50 EFAA Cc1ccoc1C(=O)NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 67785733 QTQUXJDDCYJQOB-AWEZNQCLSA-N 338.411 2.716 0 50 EFAA C[C@@H]1Cc2cc(CNC(=O)c3ccc(-n4cnnc4)cc3)ccc2O1 65431337 OICCYSWZYBFTHH-CYBMUJFWSA-N 334.379 2.521 0 50 EFAA Cc1ccc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)cc1 20367716 PDBBNPRGGBOSAK-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA O=C(c1coc(-c2c(F)cccc2F)n1)N1CCN2CCC1CC2 421865945 CZXPBEXABGZXQR-UHFFFAOYSA-N 333.338 2.540 0 50 EFAA CC(C)(C)OC(=O)NS(=O)(=O)c1cccc(Br)c1 116401265 OPPLYKQBWUAXSG-UHFFFAOYSA-N 336.207 2.663 0 50 EFAA O=C(NCc1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 20100448 DAUIACMDFIMUQR-UHFFFAOYSA-N 327.403 2.749 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@@](C)(N)c1ccccc1)O[C@H](C)C2 423709412 IRMKDFIVQWJRFR-XCLFUZPHSA-N 340.423 2.509 0 50 EFAA CN1CCC2(CCCN(CCn3c(=O)oc4ccccc43)CC2)CC1 67946703 POLJZSBCXIIVQI-UHFFFAOYSA-N 343.471 2.792 0 50 EFAA CC(C)(C)C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)C1CC1 252480657 CBWPAMCFBONDQI-QGZVFWFLSA-N 339.501 2.757 0 50 EFAA O=C(N[C@@H]1CCc2c(O)cccc21)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252477433 NVWJKVWVZQFEPD-RUGDWHBFSA-N 341.455 2.505 0 50 EFAA CCn1ccnc(N2CCC(N[C@H]3CCc4ccccc43)CC2)c1=O 328586699 LGQUGHRUCHJMFF-SFHVURJKSA-N 338.455 2.509 0 50 EFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253394833 AUGYUEABQGBNKS-RRFJBIMHSA-N 343.345 2.707 0 50 EFAA C[C@H]1OCC[C@]12CN(C(=O)N[C@H]1C[C@H](c3cccc(F)c3)C1)CCO2 253431132 ZMNOTJNUDMNOBB-VWMOJTHMSA-N 348.418 2.661 0 50 EFAA O=C(c1cnsn1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253416956 XKTJAPDTVBIFDC-PRHODGIISA-N 343.330 2.505 0 50 EFAA CNc1nc(C)cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)n1 253419161 AURLNYWDTCJYFQ-UHFFFAOYSA-N 332.354 2.910 0 50 EFAA C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 124167017 HBPOEKGUJZFFQL-VNQPRFMTSA-N 345.443 2.653 0 50 EFAA COCc1noc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 77542344 FBHOMZXSHNAROV-ZDUSSCGKSA-N 341.371 2.603 0 50 EFAA O=C(Cc1ccccc1)N1CCC[C@@H](c2nc(CC3CC3)no2)C1 363422549 IEJYIAVGVQCYRP-MRXNPFEDSA-N 325.412 2.971 0 50 EFAA Fc1ccc(CC[C@H]2CCCN(CCCn3cnnn3)C2)cc1F 72167947 KMQJTFDEWCVLOG-OAHLLOKOSA-N 335.402 2.686 0 50 EFAA c1cc(-c2ccc(CN3CCCC[C@H]3CN3CCOCC3)s2)n[nH]1 77524215 PYLUPZZXSUNLRE-HNNXBMFYSA-N 346.500 2.825 0 50 EFAA O=C1CN(C(=O)NCCC2CCCCC2)CN1Cc1ccccc1 489621426 MHSSKMKDXSDOKI-UHFFFAOYSA-N 329.444 2.968 0 50 EFAA Cc1sc2nc([C@H](C)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)nc(O)c2c1C 333026115 AOHOXSIYXXYGJQ-BTXBGFNFSA-N 343.452 2.960 0 50 EFAA COc1ccccc1CN(CCCO)C(=O)c1nc(C)sc1C 215554320 DQYYCEZGEVPCHL-UHFFFAOYSA-N 334.441 2.793 0 50 EFAA COc1ccc(-c2ncc(CN(C)[C@@H]3CCCC[C@@H]3O)cn2)cc1 215249741 BDEPKNJGYSREPN-MSOLQXFVSA-N 327.428 2.888 0 50 EFAA Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cnn4c3CCC4)C2)c1 450544165 MWEJTKSMVMCOCG-GOSISDBHSA-N 331.366 2.988 0 50 EFAA NC1(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCC1 262508230 CAIDWIVWRAGTBF-MRXNPFEDSA-N 336.863 2.884 0 50 EFAA C/C(=C\c1ccccc1)CN1CCC(C(=O)O)(n2ccnc2)CC1 72457293 QHVHDDWNIAIUED-DTQAZKPQSA-N 325.412 2.862 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)cn1 218829783 JNLHZNRQWKOJAY-OAHLLOKOSA-N 349.394 2.855 0 50 EFAA CC(=O)c1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)[nH]n1 72457507 UNAHSCQQZHQOTC-UHFFFAOYSA-N 347.802 2.949 0 50 EFAA CSc1nc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cs1 216472885 HTMPCTIOMPOVNN-LLVKDONJSA-N 347.465 2.648 0 50 EFAA C[C@H]1CN(c2cncc(-c3ccccc3)n2)C[C@]2(CCCOC2)O1 241287450 LLIQSSLLJRMDJM-KXBFYZLASA-N 325.412 2.918 0 50 EFAA CC(C)c1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1F 241588317 PBXWEFUEVSSDTL-DLBZAZTESA-N 335.423 2.886 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)NCCc1ccc3c[nH]nc3c1)O2 342529897 KFKFDOSQDSDUFP-LJQANCHMSA-N 335.407 2.924 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@H]2Cn2ccnc2C)cc1F 175867402 VWRSUNIOSMSQLU-HNNXBMFYSA-N 346.406 2.713 0 50 EFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)n[nH]1 289236689 ZCBWNAKISRWCNR-HNNXBMFYSA-N 346.406 2.927 0 50 EFAA Cc1cc(C(=O)NCCSc2nc(C)n[nH]2)c2ccc(F)cc2n1 82106675 RAGWQRZFBKSDNL-UHFFFAOYSA-N 345.403 2.631 0 50 EFAA CCCc1nnsc1C(=O)N1CC(OCc2ccccc2F)C1 426498508 JZTYPRHEVSPXCX-UHFFFAOYSA-N 335.404 2.671 0 50 EFAA Cc1cc(CNC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)on1 426673983 FANGNAWPRZVWQD-UHFFFAOYSA-N 327.388 2.818 0 50 EFAA COc1ccc(-c2cc(C)nc(N3CCOCC3)n2)c2cccnc12 426465387 AGHABLBWOVZKCE-UHFFFAOYSA-N 336.395 2.845 0 50 EFAA O=C(CN1CCCCCC1)NCCOc1cccc2cccnc12 220658272 QGEFFPFWJZEHDW-UHFFFAOYSA-N 327.428 2.606 0 50 EFAA CCc1nc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cs1 95358144 ZVHZBRBFKPVAFD-GOEBONIOSA-N 333.501 2.928 0 50 EFAA Cc1c(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cnn1C 292443371 XGJMWVUCBLZEDT-MQMHXKEQSA-N 339.848 2.606 0 50 EFAA CCC[C@]1(CO)CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 91876424 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CN(CCCc1nccn1C)Cc1cc(O)c2cccc(F)c2n1 92080609 WPZPZBBOPSFQRT-UHFFFAOYSA-N 328.391 2.878 0 50 EFAA C[C@@H](Cn1cncn1)NC(=O)c1cc(N2CCCCC2)ccc1Cl 244633142 FXLRNZPQPWCQJA-ZDUSSCGKSA-N 347.850 2.740 0 50 EFAA COC(=O)c1coc(S(=O)(=O)Nc2c(F)cccc2Cl)c1 181363376 IEOHRHSBPRIUKK-UHFFFAOYSA-N 333.724 2.660 0 50 EFAA O=C(O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O 247338215 AADVZSXPNRLYLV-UVPACWLJSA-N 340.423 2.559 0 50 EFAA O=C(CCCn1ccnc1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 244673588 HSAZTLOLHAPMEQ-YEWDVWPNSA-N 349.381 2.570 0 50 EFAA COc1ccc(F)cc1[C@H](NC(=O)NC1CCCC1)[C@H]1C[C@@H](O)C1 243932484 BVVOFTNMJCTBHC-HYSWKAIVSA-N 336.407 2.888 0 50 EFAA O=C(CCC(=O)NC1CCCCCC1)NCc1cc(C2CC2)on1 252487748 IBDNLYSTEHBVQB-UHFFFAOYSA-N 333.432 2.787 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 274936458 DBEDRRBMKDIFHT-KRWDZBQOSA-N 337.427 2.819 0 50 EFAA O=C(O)c1c(Br)c(Br)cc2c1OCCO2 33358819 YAQJEXMCCBHATG-UHFFFAOYSA-N 337.951 2.681 0 50 EFAA Cc1cccc(N2CC[C@@H](CNC(=O)c3cc(=O)cc(C)o3)C2)c1 299765588 IKAVCFANBDHXHU-HNNXBMFYSA-N 326.396 2.513 0 50 EFAA Cc1nccn1Cc1ccccc1NC(=O)c1cnc2ccnn2c1C 828202663 ZWYSNPUTIUDOPI-UHFFFAOYSA-N 346.394 2.843 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCCCN2C)CC1 823395362 AZEHRHZMFZLMMV-GOSISDBHSA-N 345.487 2.608 0 50 EFAA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C2(C(=O)O)CC2)cc1 165022047 DUKQWEHKPHPSIW-LBPRGKRZSA-N 330.384 2.505 0 50 EFAA C[C@]1(F)CCCN(C(=O)CCc2ccccc2N2CCOCC2)C1 1450121692 SCQILWVJNZHPHK-IBGZPJMESA-N 334.435 2.806 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2Cc2ccc3c(c2)COCC3)nc1 1875282416 CRRBYLHMDQWSPT-QGZVFWFLSA-N 339.395 2.585 0 50 EFAA COc1ccc(Cl)cc1N(C)S(=O)(=O)c1csnc1OC 1875281232 WUYCYZCMNIKYLC-UHFFFAOYSA-N 348.833 2.639 0 50 EFAA C[C@@]1(CS(=O)(=O)Nc2nocc2C2CC2)CC1(Cl)Cl 1875279795 DYCODXKARANZLI-JTQLQIEISA-N 325.217 2.878 0 50 EFAA Cc1ccc(-c2ccccc2)cc1C(=O)NC[C@H]1C[C@@H](CO)CO1 1875299235 DVSJQNTUXRMPPB-MAUKXSAKSA-N 325.408 2.789 0 50 EFAA COc1ccccc1-n1cc(CNCc2c(C)nn(C)c2Cl)cn1 952866832 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Cc1nc2ccccc2n1CCC(=O)N1C[C@H](C)[C@@](O)(C(C)C)C1 211928993 BSGSKVDIWJUBFY-LIRRHRJNSA-N 329.444 2.600 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccsc2)C[C@@H]1c1ccc2c(c1)OCO2 222152905 NZJFBFOYNCPAJI-KGLIPLIRSA-N 331.393 2.777 0 50 EFAA c1ccc2c(-c3cnnc(N4CCN5CCC[C@H]5C4)n3)cccc2c1 12753500 WXSIOSJTFNCPTJ-INIZCTEOSA-N 331.423 2.976 0 50 EFAA Cc1cccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 16579528 LBAGUWXIDZAWFH-UHFFFAOYSA-N 330.453 2.647 0 50 EFAA CCCN(CCC)C(=O)CCC(=O)N1CCN=C(O)[C@H]1CC(C)C 328591921 BQVVODPXSGXSME-OAHLLOKOSA-N 339.480 2.629 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C1 237084967 FNUMVFODVLFEBE-CQSZACIVSA-N 346.862 2.906 0 50 EFAA COc1ccc([C@H]2CCCN2Cc2cnc(N(C)C)nc2)c(OC)c1 253417986 WDQOVTVEGFXYTQ-QGZVFWFLSA-N 342.443 2.897 0 50 EFAA C[C@@H](Nc1ncnc(N)c1Cl)C1CCN(CC(F)(F)F)CC1 685915315 BZGIWIRDBGYMBD-MRVPVSSYSA-N 337.777 2.787 0 50 EFAA COc1ccccc1/C=C/CN[C@@H]1C[C@]2(C[C@H]1O)CN(C)[C@@H]2C(C)C 922388329 OZCFTUNYRAEOND-DLDRWOFZSA-N 344.499 2.778 0 50 EFAA CNC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 266982767 ZPZYGVCQZSOQLG-YVEFUNNKSA-N 341.386 2.804 0 50 EFAA COc1cc(NC(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)cc(OC)c1 902989042 WZKRYZVHDBJRGV-MRXNPFEDSA-N 335.448 2.898 0 50 EFAA COc1cc(CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)ccc1F 1704316330 YEZDTCQCSPLMQB-LJQANCHMSA-N 342.418 2.687 0 50 EFAA Cn1cc(C(=O)Nc2nc(O)c3c(n2)CCCC3)c(C2CCCC2)n1 905948168 JTAJRSCWBOUWKK-UHFFFAOYSA-N 341.415 2.704 0 50 EFAA CC[C@@H](C(=O)O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 911671655 YNTAULIBZQDNTG-LLVKDONJSA-N 339.189 2.657 0 50 EFAA CO[C@@H]1CCN(c2nccn3nc(C(F)(F)F)cc23)CC1(C)C 928995835 JAWCKXOJNKWVRX-GFCCVEGCSA-N 328.338 2.999 0 50 EFAA O[C@@H](CNC1CCN(C2CC2)CC1)c1cccc(C(F)(F)F)c1 838940725 KWAGJXDZUHRUQO-INIZCTEOSA-N 328.378 2.955 0 50 EFAA CC(C)(C)C(=O)Nc1ccccc1C(=O)N[C@H]1CCCn2ncnc21 843818292 VBSXAIDXKSOVII-AWEZNQCLSA-N 341.415 2.528 0 50 EFAA Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 110611 CVFRDTKNJCVSDJ-UHFFFAOYSA-N 343.387 2.747 0 50 EFAA CC(F)(F)c1cccc(CN2C[C@@H](CC(=O)O)OCC2(C)C)n1 2325788140 OGICBMXHJFOUJV-GFCCVEGCSA-N 328.359 2.647 0 50 EFAA COC(=O)C1=C[C@@H](N[C@H](Cn2ccnc2)c2ccccc2)CCC1 2325803750 ZDRXGAFTHWCOOM-ZWKOTPCHSA-N 325.412 2.866 0 50 EFAA COc1ccc(C(=O)NC2CCC3(CC2)C[C@@H]3N)c2ccncc12 2325813454 CANYHWJUDKPTDS-FGRSOLKCSA-N 325.412 2.633 0 50 EFAA CCOC(=O)N1CCN(C(=O)CCSc2ccc(C)cc2)CC1 555111 FSXVUXYVZSTRLO-UHFFFAOYSA-N 336.457 2.778 0 50 EFAA CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl 4413341 IULGKULQINLMKP-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCC(N)=O 4954561 OLFIFJGWYUDIHV-UHFFFAOYSA-N 344.455 2.618 0 50 EFAA Cc1ccc(N2CCC[C@H]2COC(=O)c2cc[nH]c2C2CC2)nn1 225389028 WMUZUHHOFJYCNQ-AWEZNQCLSA-N 326.400 2.816 0 50 EFAA O=C(c1cccc(Cl)c1)N1CCN(CCc2ccccn2)CC1 54297552 GCMVTGPZSOXYDK-UHFFFAOYSA-N 329.831 2.736 0 50 EFAA CCc1cccc(C)c1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 8587381 FPJGKNXIRZULJQ-UHFFFAOYSA-N 343.452 2.860 0 50 EFAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1CCOc1ccc(F)cc1Cl 225630771 CMCPGKHIQBGXTG-VNQPRFMTSA-N 343.826 2.720 0 50 EFAA CCOc1ccc(CCCC(=O)NC[C@@H](C)n2cncn2)cc1C 55108060 YZGBIDFTFUZKMV-OAHLLOKOSA-N 330.432 2.685 0 50 EFAA Cn1c(CC2CCNCC2)nnc1SCC[C@@H](O)c1ccccc1 55414038 RUIGBUWGAWVPJD-MRXNPFEDSA-N 346.500 2.573 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCCSc3nncn3C)cc2)o1 65404333 BDAHCYGHBDZIBI-UHFFFAOYSA-N 342.424 2.906 0 50 EFAA Cc1cncc(CNC(=O)N[C@@H](C)c2nc(C3CCCC3)no2)c1 119028420 ANPNQCSGNAMQOX-LBPRGKRZSA-N 329.404 2.991 0 50 EFAA CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 229104971 PACKKLCPOVHZIJ-CABCVRRESA-N 345.361 2.903 0 50 EFAA CC(C)CC(=O)N1CCN(CC2=CCCN([C@@H]3C=CCCC3)C2)CC1 65492593 KIXFLBMZGNPFMB-HXUWFJFHSA-N 345.531 2.918 0 50 EFAA O=C(NC[C@H](O)COc1ccccc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 229262567 BOXWGEWAFRFEMD-MCIONIFRSA-N 345.361 2.911 0 50 EFAA C[C@]1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CCOC1 354085175 GWSDKXLWGYAJMG-MRXNPFEDSA-N 332.404 3.435 0 50 EFAA CN(CCc1ccccn1)[C@H]1CCCN(C(=O)c2ccsc2)C1 11662433 SMZSFCPEEAKGQF-KRWDZBQOSA-N 329.469 2.922 0 50 EFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 331547926 IYMDFPDLCCPHFU-IPMKNSEASA-N 335.492 2.996 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCCN(C)[C@H]1C 230241897 GBCBXMYUAZMHKN-MAUKXSAKSA-N 325.456 2.993 0 50 EFAA C[C@H](Cc1cn(Cc2nc3ccccc3c(=O)[nH]2)nn1)c1ccccc1 67967871 JHXBXTDWZOQGDR-CQSZACIVSA-N 345.406 2.909 0 50 EFAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(-c2nc[nH]n2)cc1 67868445 LNLHJUJABNDVSO-UHFFFAOYSA-N 346.394 2.631 0 50 EFAA O=C(NCc1ccc(Br)o1)N1CCC2(CCOCC2)C1 253425218 BTEDZLLFZFMURU-UHFFFAOYSA-N 343.221 2.754 0 50 EFAA Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)c2ccc3c(c2)OCCO3)cc1 1117119 HHJPMZXEIMADTJ-ZDUSSCGKSA-N 346.404 2.811 0 50 EFAA Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H]2c2ccco2)c1C 151954903 LHPCHQLEGUMEPQ-OAHLLOKOSA-N 348.424 2.521 0 50 EFAA Cc1nc(C)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)o1 172757523 AACZCIWBBZJWOM-ZDUSSCGKSA-N 349.387 2.584 0 50 EFAA COc1ccc(C(=O)N2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)cc1 72129600 QZCIAQJOFRTHKD-MRXNPFEDSA-N 346.471 2.658 0 50 EFAA CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 155977539 HBIXISKGKAIPNK-SJORKVTESA-N 344.455 2.852 0 50 EFAA C[C@@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 241795535 RZZPUBTTXNAANK-SJLPKXTDSA-N 345.487 2.644 0 50 EFAA COc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1 72433151 YVNAHMIQVKFIGS-CQSZACIVSA-N 337.427 2.858 0 50 EFAA Cn1cnnc1C1CCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 333599886 COMLUXYIAIXFLM-UHFFFAOYSA-N 331.464 2.841 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C1 174144731 MPCSVWFCCBXITP-SFHVURJKSA-N 344.503 2.549 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)O)o1 237531647 JHUQYKWYPLEGNP-XHBSWPGZSA-N 329.352 2.969 0 50 EFAA O=C(c1csc(-c2cccnc2)n1)N1CCC(c2ncc[nH]2)CC1 72429112 HXECWIUIAGNRAD-UHFFFAOYSA-N 339.424 2.948 0 50 EFAA CN(C(=O)CCCn1cccc1)C1CCN(CC(F)(F)F)CC1 456943978 WSPFARXQFGFWJG-UHFFFAOYSA-N 331.382 2.753 0 50 EFAA CCCCc1nc(CN2CCC(N3CCCC3=O)CC2)c(Cl)[nH]1 71753178 LQKWSBTXLSUWKX-UHFFFAOYSA-N 338.883 2.993 0 50 EFAA CCc1csc(NCc2ccccc2CN2CCC[C@H]2CO)n1 340013423 GKWJYFWTJBWXOQ-KRWDZBQOSA-N 331.485 3.274 0 50 EFAA COc1c(Cl)cc(Cl)cc1C(=O)NCCSc1ncn[nH]1 219852882 PZJHGELGHXOUFE-UHFFFAOYSA-N 347.227 2.642 0 50 EFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@H]2Cc3ccccc32)c1 263277958 YGZBNXRMFMPBMU-FXAWDEMLSA-N 339.391 2.841 0 50 EFAA COc1cc(Cl)cc(CN2CC[C@@H](NC(C)=O)C2)c1OC(C)C 215683461 FOVHITYJIWDWRM-OAHLLOKOSA-N 340.851 2.846 0 50 EFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@H](OCCO)C1 178662097 SDJOFWMRCDWDMP-HNNXBMFYSA-N 346.452 2.732 0 50 EFAA O=C(CSC1=Nc2ccccc2CS1)N[C@H]1CCSC1=O 266160328 ZOTWZDPVFDHHMK-NSHDSACASA-N 338.479 2.802 0 50 EFAA COc1ccc(F)cc1C(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 221318498 QFZAYERUFPCVHE-CYBMUJFWSA-N 348.418 2.697 0 50 EFAA Cc1scc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1C 179756794 VLWCQQFIKYHUAR-KRWDZBQOSA-N 343.408 2.672 0 50 EFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(C)(=O)=O 91270205 JADFBPHAOJBUTM-AWEZNQCLSA-N 333.457 2.743 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCCc2ccccc21 294268366 RQRBCMYAGMTWMG-JQHSSLGASA-N 342.439 2.684 0 50 EFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2s1 238096316 GRXNDYCYNQSLDI-ZDUSSCGKSA-N 333.409 2.997 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)NC3(C(N)=O)CCCC3)c2c1 95500617 JTWMBBGDSOFDAI-UHFFFAOYSA-N 325.412 2.688 0 50 EFAA COc1ccccc1-n1cc(CN2CCC[C@@H]2c2n[nH]c(C)n2)cn1 97756448 APMDPXNSVVRSOB-MRXNPFEDSA-N 338.415 2.645 0 50 EFAA CCCn1ncc(C(=O)NCc2csc(N3CCCC3)n2)c1C 91914579 IKEKVVLKEBDJID-UHFFFAOYSA-N 333.461 2.588 0 50 EFAA C[C@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)n1ccnc1 97570931 SXBQLVNFGQYHBO-GFCCVEGCSA-N 339.374 2.558 0 50 EFAA COCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)o1 92028632 ARGJBIPMKIHFAJ-JKSUJKDBSA-N 343.379 2.675 0 50 EFAA COc1nccnc1N1CCC[C@H](c2nccn2CC2CCC2)C1 95387216 QJKBYYCGWXQLAV-HNNXBMFYSA-N 327.432 2.866 0 50 EFAA OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 95370707 SBODCZYIMVNEAH-CQSZACIVSA-N 343.814 2.791 0 50 EFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)CCCn2ccnc2)C1 91602745 DFRDNENYQMXLSN-SFHVURJKSA-N 333.432 2.713 0 50 EFAA Cc1cc(C)n(CCNC(=O)c2ccc3sccc3c2)c(=O)n1 91986928 OSFVPDHUTDJLAU-UHFFFAOYSA-N 327.409 2.505 0 50 EFAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 91872159 BKPKBLUSIGFRHQ-HNNXBMFYSA-N 328.456 2.897 0 50 EFAA O=C1N[C@H]2CCC[C@@H]1CN(CC1=Cc3cc(Cl)ccc3OC1)C2 97743217 WEWPODNQSZGIML-CJNGLKHVSA-N 332.831 2.716 0 50 EFAA CCc1csc(CCNC(=O)CCc2ccc3c(c2)OCO3)n1 244724389 MSXMIWAFKQGASG-UHFFFAOYSA-N 332.425 2.726 0 50 EFAA Cn1ccc(NC(=O)CN2CCCC[C@@H]2CCc2cccc(O)c2)n1 244748786 OOGOLNZGLSCONS-MRXNPFEDSA-N 342.443 2.552 0 50 EFAA Cc1cnn(-c2ccc(NC(=O)N(C)Cc3noc(C)n3)cc2F)c1 183488235 ININKKIIAFEYNP-UHFFFAOYSA-N 344.350 2.675 0 50 EFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C(C)(C)C)nn1C 298698082 FTUPNAHVMJFJDM-CYBMUJFWSA-N 343.427 2.630 0 50 EFAA CC(C)C[C@@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 252504793 VLOAXEUQXJBMDK-OAHLLOKOSA-N 349.398 2.518 0 50 EFAA O=C(C1=CCOCC1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 184423223 FGBPBSNLVZXZBA-KRWDZBQOSA-N 335.831 2.959 0 50 EFAA CC[C@@H](NC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)c1ccnn1C 534635494 COXGHNRKHNEKON-CYBMUJFWSA-N 340.431 2.898 0 50 EFAA CN(C)[C@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1 299773555 DESUOGGVGUNBHN-CYBMUJFWSA-N 333.461 2.779 0 50 EFAA CN1C(=O)CN(C(=O)c2c(Cl)ccc3c2OCO3)c2ccccc21 1875338677 HGSJBAZOLPMZMH-UHFFFAOYSA-N 344.754 2.692 0 50 EFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(Oc3ccncc3)c2)cn1 1875381165 MFJIZFHEFFXTGK-MWTRTKDXSA-N 336.395 2.871 0 50 EFAA O=C(NCc1ccccn1)c1cc2nc(-c3cccs3)ccn2n1 1875330066 LBEVOJITRKZSFN-UHFFFAOYSA-N 335.392 2.783 0 50 EFAA CC(C)OCc1nnc([C@@H](C)NC(=O)c2c(O)cccc2F)s1 1875316064 SOZMWYIICYYDNR-SECBINFHSA-N 339.392 2.799 0 50 EFAA Cc1ccccc1CNC(=O)N1CCC[C@@]12CCC[S@@](=N)(=O)C2 1875393257 KDBKLWZNYSLNMR-GAJHUEQPSA-N 335.473 2.880 0 50 EFAA N=c1cc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cc[nH]1 1875296991 YDSWMWTUWHCCAA-UHFFFAOYSA-N 329.831 2.928 0 50 EFAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC(c2cscn2)CC1 1875268038 ZWWVVCOJBPHLTR-UHFFFAOYSA-N 330.413 2.536 0 50 EFAA O=C(c1ccnc(C2CCCC2)n1)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1875271039 VPBMQWNKCWKEEA-KDOFPFPSSA-N 329.400 2.604 0 50 EFAA Cc1nnc([C@H]2COCCN2Cc2cnc(-c3ccccc3)o2)o1 1875271402 DGYQUFUYCGBUTA-OAHLLOKOSA-N 326.356 2.607 0 50 EFAA COc1cc(F)ccc1CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1 952984285 YTLCEOFNSGATNV-KRWDZBQOSA-N 343.402 2.510 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952973353 XDEDZZZFOMSDDA-JTQLQIEISA-N 341.367 2.886 0 50 EFAA Cn1nccc1CCC(=O)Nc1ccccc1CN1CCCCC1 952983673 QIXZRBBBHOUPRB-UHFFFAOYSA-N 326.444 2.977 0 50 EFAA CCCOc1cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)ccc1OC 271190649 LNFGPRHVNIKKBR-SOHPYSCWSA-N 325.474 2.825 0 50 EFAA C[C@@]1(Cn2c(-c3ccccc3)nnc2N2CCCOCC2)CCCO1 1395823299 BFZJGDFHHSUWKR-IBGZPJMESA-N 342.443 2.741 0 50 EFAA COc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccsc2)c1 272833474 NICLBEKQZADVNA-MRXNPFEDSA-N 344.436 2.850 0 50 EFAA CS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)nc1 1244459152 ZISAJAITNMIPMZ-UHFFFAOYSA-N 333.287 2.756 0 50 EFAA CC1(C)C[C@@H](CNc2ccc3nnc(-c4ccncc4)n3n2)CCO1 631306409 XRGHDDLSFSQYKR-ZDUSSCGKSA-N 338.415 2.803 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 277104637 XELATYGWQKGMBV-VXGBXAGGSA-N 333.354 2.603 0 50 EFAA CC1=C(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)CCCO1 408521876 XTVMALQDDMSBIM-UHFFFAOYSA-N 326.437 2.880 0 50 EFAA CN(CCN(C)C1CC1)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 408523449 RRLQVWSKEHLHCQ-UHFFFAOYSA-N 335.757 2.920 0 50 EFAA CC(C)=CC(=O)NC[C@H]1CCCN(Cc2noc(C(C)(C)C)n2)C1 408515200 DRXGAPQZQBKRPU-CQSZACIVSA-N 334.464 2.662 0 50 EFAA CCn1cc(C(=O)NCCc2ccc(C(=O)O)cc2)c(C(C)C)n1 170671163 NXBMVYPTPMVYFM-UHFFFAOYSA-N 329.400 2.697 0 50 EFAA CC(=O)N1CCC(CNC(=O)c2csc(-c3ccccc3)n2)CC1 170893278 LBMCCBBJHXOIII-UHFFFAOYSA-N 343.452 2.798 0 50 EFAA CC1(C)CNCC[C@@H]1NC(=O)Cc1csc(CCC(F)(F)F)n1 638264207 WNWXDITXUPWNFZ-NSHDSACASA-N 349.422 2.685 0 50 EFAA COc1ccc2sc(C(=O)N3CCCNC(=O)[C@H]3C)c(C)c2c1 188919088 PLRXTIPRJPTJPZ-LLVKDONJSA-N 332.425 2.569 0 50 EFAA COc1ccccc1-c1nc(CN2CCCNC(=O)[C@@H]2C)cs1 189309401 GLGNQZIQFOSAJA-LBPRGKRZSA-N 331.441 2.529 0 50 EFAA Cc1cccc(-c2cn(Cc3cccc(CN4CCOCC4)c3)nn2)n1 641180654 JIYHZNJEILZTJV-UHFFFAOYSA-N 349.438 2.529 0 50 EFAA CCCN1CCN(C(=O)c2ccc(OC)nn2)c2cc(F)ccc21 189967379 UGMCXAQNSZHXHM-UHFFFAOYSA-N 330.363 2.501 0 50 EFAA CC(=O)N1Cc2ccc(S(=O)(=O)N3CCCCC[C@H]3C)cc2C1 659909876 MRTKCSMWSUESIR-CYBMUJFWSA-N 336.457 2.502 0 50 EFAA Cc1csc(C2(NC(=O)[C@H]3CCc4nc[nH]c4C3)CCCC2)n1 668660397 OQXAZTQOUXMHOO-LBPRGKRZSA-N 330.457 2.865 0 50 EFAA Cc1cc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(C)o1 1529105884 JIMWJCVYFQEDHU-IEBWSBKVSA-N 340.423 2.794 0 50 EFAA CSCCCN1C(=O)CC[C@@H]2CN(c3ncnc(C)c3C)CC[C@@H]21 217029565 IZHJLKOBMLLZQA-CVEARBPZSA-N 348.516 2.664 0 50 EFAA Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC1CCCC1 5352846 ZXQGGGKHGACVKN-LBPRGKRZSA-N 331.445 2.510 0 50 EFAA Cn1c(Cc2cccs2)nnc1SCC(=O)NC1CCCC1 5580146 GYDFFLRDCVZAPG-UHFFFAOYSA-N 336.486 2.618 0 50 EFAA c1cc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)ccn1 11936306 SHTDFIKJECOWLV-UHFFFAOYSA-N 334.379 2.759 0 50 EFAA Cc1cc2[nH]c(=O)cc(C)c2c(C)c1S(=O)(=O)N1CCCCC1 12446759 GEMHSANWHNDBFW-UHFFFAOYSA-N 334.441 2.628 0 50 EFAA biogenic,in-vitro CN1CCC[C@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 12594935 SBCAWARJSFCZSP-IBGZPJMESA-N 344.499 2.826 0 50 EFAA Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)c(C)c1 13331691 KBYZQCUGNCCBJZ-QGZVFWFLSA-N 339.439 2.815 0 50 EFAA O=C(O)CCC(=O)N1CCS[C@@H]1c1ccc(Br)cc1 19809292 HITZZSLUJPMGOB-CYBMUJFWSA-N 344.230 2.888 0 50 EFAA Cc1ccc(-n2nnnc2N2CC[C@@]3(C2)OCc2ccccc23)cc1 302244865 KDWAARPARPHUKK-IBGZPJMESA-N 333.395 2.607 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2C)n[nH]1 407982595 ZHGJQECJBHDORD-CQSZACIVSA-N 330.436 2.740 0 50 EFAA Cc1ccn(C)c1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 225488891 CKPIFXZQFVOFAX-CQSZACIVSA-N 347.415 2.626 0 50 EFAA COC1(CNC(=O)NC[C@H]2CCCc3ccccc32)CCOCC1 119820440 ZYMWVCNAJFBJNK-MRXNPFEDSA-N 332.444 2.601 0 50 EFAA COc1cc(CNC[C@@H]2CCCN2C)ccc1OCc1ccncc1 237242983 QJUQNFJKEICKOL-SFHVURJKSA-N 341.455 2.853 0 50 EFAA CCn1ccnc1[C@H](NC(=O)c1cncc(C)c1)C1CCOCC1 347344943 HUOWNCWXZKRIMD-MRXNPFEDSA-N 328.416 2.504 0 50 EFAA O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@H]2CNC[C@H]21 368374574 IPBZARRREMAMQS-XJKSGUPXSA-N 343.814 2.961 0 50 EFAA Clc1ccc(OCC2CC2)c(CN2CCOC[C@@H]2c2nc[nH]n2)c1 375327989 SCEARWHRDSDDTJ-OAHLLOKOSA-N 348.834 2.820 0 50 EFAA C[C@H](C(=O)O)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 262817590 APFUECOIDCHHKP-JSGCOSHPSA-N 344.411 2.604 0 50 EFAA Cn1nc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1C(F)F 820323186 LBZSKXIQADHSAN-SNVBAGLBSA-N 338.333 2.506 0 50 EFAA Cc1cnc2c(cnn2Cc2nc([C@H]3CCOC(C)(C)C3)no2)c1 904089955 AOFRYTSOVBBBKC-LBPRGKRZSA-N 327.388 2.844 0 50 EFAA Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 830364660 JYQGXVGHHRFJAI-JJRVBVJISA-N 331.391 2.613 0 50 EFAA Cn1ncc(NC(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)c1C1CC1 2325748993 HUEASGWWMAKXMF-XAYKYTGQSA-N 330.432 2.720 0 50 EFAA CN(CCNc1nccc(N2Cc3ccccc3C2)n1)c1ccccn1 2325790713 DXAVCYUYXTWSAX-UHFFFAOYSA-N 346.438 2.940 0 50 EFAA CC1(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC(O)C1 2325800072 MUANJUQBIAXCDN-UHFFFAOYSA-N 349.434 2.988 0 50 EFAA C[C@@H](NCc1ccc2nc(O)[nH]c2c1)c1ccc(-n2ccnn2)cc1 2325856535 UFVNKGIQGJQBSV-GFCCVEGCSA-N 334.383 2.700 0 50 EFAA NC(=O)c1cccc(CNc2nccc(N3Cc4ccccc4C3)n2)c1 2325874434 MQFRNKOQQMHJDX-UHFFFAOYSA-N 345.406 2.708 0 50 EFAA CN1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 245343963 WQHOGAYPOLSXLI-DAXOMENPSA-N 340.826 2.767 0 50 EFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1C 311588 BRZHXGLAJPWDRY-UHFFFAOYSA-N 344.392 2.829 0 50 EFAA C[C@@H](C(=O)NC1CCCCCC1)N(c1ccccc1)S(C)(=O)=O 469062 AEYBIRPFCOINTO-AWEZNQCLSA-N 338.473 2.680 0 50 EFAA CCCn1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(C)n1 2356136540 YTMQVVJKFHXFKX-WNKDZCFJSA-N 332.492 2.792 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)n(C(C)C)n2)C1=O 2356168169 RWPKGHUCKIJMRT-LJQANCHMSA-N 346.475 2.780 0 50 EFAA O=C(O)CCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 3683372 NVUVKESBULBGQP-UHFFFAOYSA-N 334.397 2.764 0 50 EFAA O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCC2 6701497 OUKCTAGYYYSCCV-UHFFFAOYSA-N 329.421 2.978 0 50 EFAA O=C(NCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 7985727 FQZREVZSZZMSJS-KRWDZBQOSA-N 340.398 2.994 0 50 EFAA Cc1nc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2C)c[nH]1 55284824 SXFBGAPDPCCGBK-UHFFFAOYSA-N 341.396 2.988 0 50 EFAA CO[C@H](C)C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 416260364 JUIAXJGMCXRYQV-SSDOTTSWSA-N 328.294 2.772 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3cnccn3)C2)cc1 113247295 ZOAXUHGSAYXZKE-HNNXBMFYSA-N 325.416 2.823 0 50 EFAA CCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 9340894 NHCLERUVLWOREY-UHFFFAOYSA-N 344.440 2.591 0 50 EFAA CC(C)(CNC(=O)N1CC[C@H](N)C1)c1cccc(C(F)(F)F)c1 417448772 WIQMJQLUNCQQGC-ZDUSSCGKSA-N 329.366 2.726 0 50 EFAA O=C(Nc1ccccc1C(=O)n1cnc2ccccc21)[C@H]1CCCO1 55269699 UGPJSCRPAPOFCO-QGZVFWFLSA-N 335.363 2.842 0 50 EFAA CNc1cc(C(=O)N2CCCOc3c(cccc3OC)C2)ccn1 65408027 SIRDPLYAHYLGHP-UHFFFAOYSA-N 327.384 2.557 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1ccc(Cl)cc1 23363051 YXGYZDOZNDXXCN-SJORKVTESA-N 337.895 2.806 0 50 EFAA O=C(NCc1nnc2ccccn12)N1CC=C(c2cccs2)CC1 117956431 LYWVWBWWRPITDN-UHFFFAOYSA-N 339.424 2.790 0 50 EFAA CCc1cnc(C)nc1N1CCN(C2CC(C)(C)NC(C)(C)C2)CC1 65453781 GMNGVIVKMRXXQX-UHFFFAOYSA-N 345.535 2.779 0 50 EFAA CSCc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)o1 20928944 BCXFQPFVSDNQPK-UHFFFAOYSA-N 343.408 2.651 0 50 EFAA Cc1cc(N2CCC[C@H](CNC(=O)c3csc(C)n3)C2)ccn1 1506422612 DIMQXGWHFXCEOB-CQSZACIVSA-N 330.457 2.801 0 50 EFAA CCOC(=O)/C(=C\C=C\N(CC)CC)S(=O)(=O)c1ccccc1 38248506 WWFPHONPCQANDG-GOAZRFPBSA-N 337.441 2.763 0 50 EFAA Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nccs3)ccc12 150854 YZIMHCVKTQWEEE-SNVBAGLBSA-N 330.365 2.964 0 50 EFAA O=C(c1ccco1)N1CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 67834307 VONYNWHNUHKHFS-UHFFFAOYSA-N 340.383 2.611 0 50 EFAA CC(C)N1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H]1c1ccc(F)c(F)c1 253369647 GCRSWFGAVXBWLH-IAGOWNOFSA-N 348.397 2.652 0 50 EFAA C[C@@H]1CN(C(=O)c2ccn(COc3ccccc3Cl)n2)C[C@@H](C)O1 2794276 PECFQMWVHJFZJB-CHWSQXEVSA-N 349.818 2.822 0 50 EFAA O=C(Nc1cccc(OCCF)c1)N1CCC(N2CCCC2=O)CC1 122805645 JJZWIRRVKYPPCM-UHFFFAOYSA-N 349.406 2.654 0 50 EFAA Cc1ncsc1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 152665771 UAKANXQVHPIBGX-UHFFFAOYSA-N 343.452 2.734 0 50 EFAA CNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2nccn2C)s1 77385938 JVUCYPIVASWLIH-CYBMUJFWSA-N 347.488 2.854 0 50 EFAA Cc1cccc(NC2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)n1 368156849 BYPIKDFHVILKBH-CYBMUJFWSA-N 341.459 2.937 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1Cc1cccc(OCc2ccccn2)c1 284576420 NMAMHHXBWQFCHL-ICSRJNTNSA-N 342.439 2.896 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 237357741 XVIIJQDZRUZGFZ-AEFFLSMTSA-N 325.456 2.930 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)C3(O)CCSCC3)C2)c2ccccc21 371268252 IMLIIZJOBYAIDK-AWEZNQCLSA-N 344.480 2.752 0 50 EFAA COCc1ncc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)cn1 72447332 HXTQWUIBGSSEEJ-GOSISDBHSA-N 339.439 2.647 0 50 EFAA O=C(NCc1cccc(CN2CCCCCC2)c1)C1CCNCC1 238074173 JMJLLLMNJFSOPI-UHFFFAOYSA-N 329.488 2.678 0 50 EFAA Cc1ccccc1SCC(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 72128185 WIDVBEPGDXGTKH-KRWDZBQOSA-N 334.441 2.530 0 50 EFAA CO[C@H](CNC(=O)c1ccc(-c2cnn(C)c2)o1)Cc1ccccc1 452393889 YVTFDJADXUOIDE-INIZCTEOSA-N 339.395 2.668 0 50 EFAA Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[C@H](CC(=O)O)C1 379296721 XPFBDLNQEWUSFH-WDEREUQCSA-N 331.821 2.570 0 50 EFAA CN(C(=O)c1cc2c(s1)CCOC2)c1ccc(OCC(=O)O)cc1 263195062 YBUQZDRBQCCZRL-UHFFFAOYSA-N 347.392 2.561 0 50 EFAA C[C@H](CS(C)(=O)=O)C(=O)N(C)Cc1cccc(Cl)c1Cl 176416721 DTTZIBODCNBCEQ-SECBINFHSA-N 338.256 2.633 0 50 EFAA NC(=O)[C@H](c1ccccc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 285395837 CHSNEFXLQQRBGZ-RBBKRZOGSA-N 349.478 2.811 0 50 EFAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1 239591324 BAWOICOIYVEIFP-BZSNNMDCSA-N 344.455 2.897 0 50 EFAA C[C@@H]1C[C@H](C(=O)O)CN(c2cc(N3CCc4ccccc43)ncn2)C1 263250711 SUGQWXUWUKWUCV-HIFRSBDPSA-N 338.411 2.718 0 50 EFAA COc1ccccc1[C@@H](C)N(C)S(=O)(=O)N1CCCC[C@H]1C 241784877 RXMACFUOPDAFFP-ZIAGYGMSSA-N 326.462 2.807 0 50 EFAA CN(C(=O)CC[C@@H]1CCOC1)[C@H]1CCCN(Cc2ccccc2)C1 177526319 SUNWTHWARGQFCB-MOPGFXCFSA-N 330.472 2.926 0 50 EFAA Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)n(C)n1 130649278 VBEJPXXCEPORIN-UHFFFAOYSA-N 326.400 2.525 0 50 EFAA Cc1ccc2oc(C(=O)N3CCC(N4CCCCC4=O)CC3)cc2n1 178087844 DBLOHPHWTSTRCZ-UHFFFAOYSA-N 341.411 2.753 0 50 EFAA O=C(Cc1cccs1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 220506190 PBTGNGNVCLSPLA-SJORKVTESA-N 331.437 2.781 0 50 EFAA Cn1c(CCN)nnc1SCc1ccc(F)c(C(F)(F)F)c1 426404267 QJBHSVZJOBQMBZ-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA Cc1cn(CC(=O)Nc2cnn(C(C)C)n2)nc1-c1ccc(F)cc1 48175302 VFLPYLMVKTXAOC-UHFFFAOYSA-N 342.378 2.809 0 50 EFAA CCC[C@H](CO)NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)cc1 426574960 DLJTZAVOHHZCGJ-QGZVFWFLSA-N 340.423 2.652 0 50 EFAA Cc1cc(C(=O)NCCc2ncnn2C)sc1-c1ccccc1 426719978 PUVSLINPCMZGEJ-UHFFFAOYSA-N 326.425 2.825 0 50 EFAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)N1CC[C@@H](N)C1 426513594 GXRVHAPYVNLZOW-CQSZACIVSA-N 330.432 2.689 0 50 EFAA O=C(NCCN1CCCc2ccccc21)[C@H]1COc2ccccc2C1 95509023 VYQRVCBDUZBQKM-GOSISDBHSA-N 336.435 2.807 0 50 EFAA O=c1cc(CNCCCOc2cccnc2)[nH]c2ccc(F)cc12 95369639 LETBWDWZFLFXEO-UHFFFAOYSA-N 327.359 2.621 0 50 EFAA O=C(c1cccc(O)c1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95386903 UPUVNPUJQPRKSY-FUHWJXTLSA-N 337.423 2.524 0 50 EFAA C[C@H](C(=O)NCCSC(F)(F)F)N1CCc2ccccc2C1 95360249 KBRACEWFQZPRNO-LLVKDONJSA-N 332.391 2.802 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 180691848 YOUZSUJFVONNBI-NPMXOYFQSA-N 332.429 2.906 0 50 EFAA C[C@@H](Cc1ccsc1)NC(=O)c1cc2ccccc2n(C)c1=O 97495555 GNSWTAKUUJCSDM-LBPRGKRZSA-N 326.421 2.961 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95352504 CQZHLNGPPZWVOA-MRXNPFEDSA-N 344.434 2.604 0 50 EFAA COCC[C@]1(O)CCN(Cc2cnc(-c3cccs3)nc2)C[C@H]1C 91365284 MSHRSZZVIBUDMS-RDTXWAMCSA-N 347.484 2.815 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 239235861 WWQIVWYIIHDPFQ-XRRVDJEJSA-N 349.408 2.695 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C)n1 296702468 UYMCXGORYVMDOO-ZDUSSCGKSA-N 348.447 2.544 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccc(C)c(C)c1 245312914 YRBNSWZOGGWIHV-CWLKWCNXSA-N 344.407 2.865 0 50 EFAA CC[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)c1cc(C)ccn1 244626493 FMQPAJSYYZJVAZ-QGZVFWFLSA-N 327.428 2.700 0 50 EFAA O=C(O)COc1ccc(Cl)cc1CN1CCC[C@H](c2ncc[nH]2)C1 252510100 ZBKGSCAUOPJTOE-LBPRGKRZSA-N 349.818 2.906 0 50 EFAA CC(=O)c1csc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)c1 184181288 PTVOTSRXLPPMRO-NSHDSACASA-N 349.481 2.926 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 299743901 PYLUTHKXMBPKMD-FPSMNIFISA-N 348.487 2.885 0 50 EFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2ccc(O)cc2)C1(C)C 299777591 OFAKDUIWRBBWKC-BEFAXECRSA-N 332.444 2.587 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCN(c3nc[nH]n3)CC2)s1 299763537 OLYSNOPQFHTFSN-UHFFFAOYSA-N 340.456 2.559 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3c(C)ncn3C)C2)c1 299778139 OZQIGYLGGPCJGE-HNNXBMFYSA-N 343.427 2.668 0 50 EFAA CSCC[C@H](N)C(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12 299778134 PJSXTXAVKGWHEJ-AWEZNQCLSA-N 339.892 2.869 0 50 EFAA O=C(N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]21)c1cccc2ccccc12 1875330180 RHAVYKAUGGPCCP-KFKAGJAMSA-N 344.418 2.885 0 50 EFAA O=C(c1ncn2c1COc1ccccc1-2)N1CC[C@H]2[C@@H](CC1)C2(F)F 1875309710 KCIXUYPNMRCOKN-TXEJJXNPSA-N 345.349 2.882 0 50 EFAA C[C@@H](C(=O)N1CC[C@@](O)(Cc2cccc(F)c2)C1)c1cccc(O)c1 1875271644 ACCINZZRKZWTEC-JLTOFOAXSA-N 343.398 2.841 0 50 EFAA COC(=O)/C=C/CNC(=O)c1cc2c(C(F)(F)F)cc(C)nc2o1 1875273174 DDOPLPWTQVOCLO-ONEGZZNKSA-N 342.273 2.614 0 50 EFAA O=S(=O)(C[C@H]1[C@H](c2ccccc2)C1(F)F)NCc1cccnc1 1875288463 FLZRKLFNMLGNJM-GJZGRUSLSA-N 338.379 2.550 0 50 EFAA CC(C)c1cc(C(=O)N(C)CCn2ccc3ccccc32)nc(N)n1 952974020 ZGMQVUVJYGVPOV-UHFFFAOYSA-N 337.427 2.909 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)N[C@H]1COCc2ccccc21 895405484 NYWMAIWZXYFVMS-INIZCTEOSA-N 336.395 2.713 0 50 EFAA COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1 18069285 KJVFBQUJFMDZCF-UHFFFAOYSA-N 331.802 2.989 0 50 EFAA CCc1n[nH]cc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1364242924 BLOPTPNCXHUSEC-UHFFFAOYSA-N 341.337 2.734 0 50 EFAA Cc1ccc(-n2nc(C(=O)Nc3c4c(nn3C)CCC4)cc2C)cc1 272089062 UPRIISLHUBOENW-UHFFFAOYSA-N 335.411 2.964 0 50 EFAA CN(C)[C@H](CNC(=O)c1ccnc2ccncc12)c1cccs1 186766404 AWFGPSOAFHFGPL-OAHLLOKOSA-N 326.425 2.724 0 50 EFAA COCCc1ccccc1NC(=O)N1CCC(N2CC=CC2)CC1 189578659 AXLPUDKDFOPHGJ-UHFFFAOYSA-N 329.444 2.744 0 50 EFAA Cc1csc2ncnc(NCc3ccccc3NS(C)(=O)=O)c12 1325226617 PVCIJNYXJGUYNX-UHFFFAOYSA-N 348.453 2.983 0 50 EFAA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)CCCC(=O)O)c1 645983810 QLAPMMIEBSXWJA-HNNXBMFYSA-N 325.430 2.635 0 50 EFAA C[C@H]1CCNC(=O)[C@H]1NC(=O)CCCOc1cccc2ccccc12 194308013 BEOLPBGVHSNQSG-LIRRHRJNSA-N 340.423 2.640 0 50 EFAA C[C@@H](NC(=O)Nc1ccc2nccn2c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653538694 DGKHMNLMOZCXCV-KGYLQXTDSA-N 330.388 2.591 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NCc2ccccc2F)O1 665219317 SKTGPRDJWPPZRA-DNVCBOLYSA-N 342.414 2.731 0 50 EFAA Cn1ccnc1[C@@H](Nc1ncccc1C(=O)N1CCCC1)C1CC1 1704278300 RNJZPRMBFJICFF-HNNXBMFYSA-N 325.416 2.614 0 50 EFAA COc1nc(NC(=O)c2cc(Cl)cc(F)c2Br)n[nH]1 225811487 IYEROIGPMSIPJD-UHFFFAOYSA-N 349.547 2.621 0 50 EFAA O=C(Cc1cccc(F)c1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 12571318 CHYUMBKZAZQQRO-MRXNPFEDSA-N 332.419 2.808 0 50 EFAA O=C(Nc1ccncc1)C1CCN(C(=O)c2cccc(F)c2)CC1 12863897 PYERTLQJMNYPHR-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA COc1ccccc1C(=O)N1CCN(Cc2ccccc2F)CC1 19832217 SHYVLTZBNFZLOL-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CCC[C@@]1(CO)CN(CCOc2ccc(Cl)cc2)CC[C@H]1O 1857726594 YSQISUIVWZPPMS-SJORKVTESA-N 327.852 2.564 0 50 EFAA O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCC[C@@H]1CO 305720877 WGXSZDDOTJWEMZ-CYBMUJFWSA-N 329.396 2.674 0 50 EFAA COc1cc(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1OC 408469717 MMKMDYCDWYFBTI-CQSZACIVSA-N 344.415 2.806 0 50 EFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(C(F)(F)F)CCCC1 333140040 JFYDLEJCGJQDDN-GFCCVEGCSA-N 342.365 2.684 0 50 EFAA O=C(O)CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 238155226 DYRRFVMNCPEQEE-GFCCVEGCSA-N 331.199 2.871 0 50 EFAA Cc1cc2nc(NC(=O)[C@@H]3CCc4nnn(C)c4C3)sc2cc1F 900772432 LKUQQTYCFWNYJX-SECBINFHSA-N 345.403 2.616 0 50 EFAA C[C@H]1CN(C(=O)c2ccc3nc[nH]c3c2)C[C@@H](C)N1CC(F)(F)F 900861963 FXBYRDGHYHWXBJ-PHIMTYICSA-N 340.349 2.660 0 50 EFAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2coc3cc(O)ccc23)cn1 829891738 TXRHPUMFPSGWCG-JKSUJKDBSA-N 341.367 2.602 0 50 EFAA COC[C@H](CN1CCC2(CC1)CNC(=O)c1ccccc1O2)C(C)C 932052623 PVYSYVXBQYVEOC-INIZCTEOSA-N 346.471 2.562 0 50 EFAA Cc1nn(C)c(Br)c1C(=O)NCc1cccc(F)c1 225749377 IYCAFVSBDAGGIG-UHFFFAOYSA-N 326.169 2.560 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)n2ncnc2N1 3953695 DDFVPXLSODINQL-MRXNPFEDSA-N 332.367 2.601 0 50 EFAA CCN(CCC(=O)O)S(=O)(=O)c1cc2cc(F)ccc2s1 2325790370 HMBQRAAGKRLSEG-UHFFFAOYSA-N 331.390 2.526 0 50 EFAA Cc1cc(C2CCN(C(=O)N=c3nc(C(C)(C)C)[nH]s3)CC2)on1 2325818225 PVJKMPROGHIYQY-UHFFFAOYSA-N 349.460 2.965 0 50 EFAA Cc1c(NC(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 43186 LYGHJNFIZCTZHX-UHFFFAOYSA-N 325.343 2.876 0 50 EFAA COC(=O)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 559452 GILNVEPEGSAABI-UHFFFAOYSA-N 336.347 2.879 0 50 EFAA CC(C)CC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1 4712132 ODNXNPXOJHEERJ-UHFFFAOYSA-N 347.478 2.985 0 50 EFAA Cc1oc2ccccc2c1CC(=O)Nc1cc(C2CCOCC2)[nH]n1 343918897 NIMIYNCQGZWVJF-UHFFFAOYSA-N 339.395 3.540 0 50 EFAA COCCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 225622128 OQGXVIBHLVRCIG-NXHRZFHOSA-N 347.455 2.868 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c12 246920961 DFEIQBIKWFIHMH-IUIKQTSFSA-N 341.411 2.952 0 50 EFAA CC[S@@](=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1 55343894 DBDWXMLFPRIIDR-DEOSSOPVSA-N 348.424 2.938 0 50 EFAA CCN(C)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 227362691 RBMMUZZOJQFZEZ-QRVBRYPASA-N 345.487 2.895 0 50 EFAA Cc1ncsc1CCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 20992197 KIXPBBUBSGZTQC-AWEZNQCLSA-N 349.500 2.682 0 50 EFAA CC(C)=CCN1CCN(c2ncnc3c(C)csc23)C[C@@H]1CCO 106994618 MPAMUERODIAUDH-HNNXBMFYSA-N 346.500 2.839 0 50 EFAA CC[C@H](OC)C(=O)N(CCO)CCSc1ccc(Cl)cc1 55310701 MBVRNHKPWGMDEG-AWEZNQCLSA-N 331.865 2.678 0 50 EFAA CCOc1cc(CN2CCC3(CC2)CNC(=O)C3)cc(Cl)c1O 65394817 RUGNIBCOLWSMGE-UHFFFAOYSA-N 338.835 2.546 0 50 EFAA COC(=O)c1ccc(CNC(=O)CCc2ccccc2OC)s1 421698311 IXEQKAYRHMNLHG-UHFFFAOYSA-N 333.409 2.792 0 50 EFAA CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@H]1CCC(F)(F)C1 117816195 JAVXOHKAALBEQH-DTWKUNHWSA-N 330.766 2.879 0 50 EFAA CN(Cc1cc(-c2cccs2)[nH]n1)Cc1ncccc1C(=O)O 67841416 MERCKVPXDUSEAE-UHFFFAOYSA-N 328.397 2.863 0 50 EFAA C[C@@H]1CCCN(CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 72423673 QXLISAMHBOQZGA-MRXNPFEDSA-N 332.488 2.852 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC[C@@H](C)C2)C12CCCC2 230274549 HNNCPYNNTCPSON-BZUAXINKSA-N 344.521 2.633 0 50 EFAA CO[C@](C)(CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)C1CC1 253430022 WCFZWMJOAZXJHS-RNRVQEDPSA-N 330.428 2.826 0 50 EFAA O=S(=O)(C[C@@H](O)COc1ccccc1Cl)c1ccccc1 1399266 PDPAERLOHOYOJF-LBPRGKRZSA-N 326.801 2.554 0 50 EFAA C[C@H](O)c1ncc(CNCC(C)(C)NC(=O)OC(C)(C)C)s1 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CC(C)Cc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2C)on1 95386760 MRLUVIHKHZKVRR-SFHVURJKSA-N 327.428 2.546 0 50 EFAA O=C(c1ccccn1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 92022499 UNQLZQNAPLCBKD-FQEVSTJZSA-N 341.455 2.869 0 50 EFAA CCCN1CCC(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 244734951 NONLKMTWJPEUDQ-FUHIMQAGSA-N 345.487 2.522 0 50 EFAA Cc1ccc2[nH]c([C@@H](NC(=O)Cc3nonc3C)C(C)C)nc2c1 252485601 GZZBVHIQEDMLLH-INIZCTEOSA-N 327.388 2.619 0 50 EFAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(O)cc1 253409872 MONBEVOQWSDMAS-MRXNPFEDSA-N 342.395 2.602 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 299744262 RNZGQBAGCYYKGQ-NSHDSACASA-N 330.306 2.960 0 50 EFAA Cn1cccc1C(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1 362751473 GVCODHBRSFDRHN-UHFFFAOYSA-N 347.418 2.874 0 50 EFAA Cc1ccc(NC(=O)NCC2CCOCC2)cc1N1CCCC1=O 299756181 IYJPIGFCBIGLJI-UHFFFAOYSA-N 331.416 2.670 0 50 EFAA O=C(N[C@H]1COC2(CCCCC2)C1)c1ccccc1N1CCOCC1 299775143 ABPUKRYFDGIBCP-MRXNPFEDSA-N 344.455 2.745 0 50 EFAA Cc1cc2nc(CNC(=O)c3cc(-c4cccn4C)[nH]n3)[nH]c2cc1C 828211782 SYYFLHMFJKYSGM-UHFFFAOYSA-N 348.410 2.838 0 50 EFAA CC(=O)c1cc(C(=O)NCc2nncn2C2CCCCC2)cs1 828207930 NLJAOMFKVRUXNO-UHFFFAOYSA-N 332.429 2.977 0 50 EFAA CN(C)[C@@H](C(=O)NCc1ccc2c(c1)CCO2)c1cccc(F)c1 823648958 BSSDPDOZRZFCIL-GOSISDBHSA-N 328.387 2.680 0 50 EFAA O=C(CCC(=O)N1CCC[C@@H](CCCO)C1)NC1CCCCCC1 584894847 DOIVZTYMGGFSPX-INIZCTEOSA-N 338.492 2.617 0 50 EFAA Cc1nc(C)c(CC(=O)N2CCC[C@H](Cn3ccnc3C)C2)s1 584884552 IYINNSNUWPDCQG-OAHLLOKOSA-N 332.473 2.746 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 269211820 WLJUBIFNZHRQEO-OAHLLOKOSA-N 331.412 2.874 0 50 EFAA C[C@@H](OC(=O)[C@H]1CCc2nnnn2C1)c1ccccc1C(F)(F)F 1875287262 BODJPPXKEIVKHX-ZJUUUORDSA-N 340.305 2.559 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(CO)n2C)C1 1875276526 WXSGRHVBXZAYKO-OCCSQVGLSA-N 334.851 2.901 0 50 EFAA O=C(O)C(CCCN1CCC(Cc2cccc(F)c2)CC1)C(=O)O 1875280361 WOTPGDADSKIHOO-UHFFFAOYSA-N 337.391 2.646 0 50 EFAA 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FC(F)(F)c1nnc2sc([C@H]3COc4ccccc4O3)nn12 2203508 HDHICOASHQVSBJ-MRVPVSSYSA-N 328.275 2.717 0 50 EFAA COc1cc(NS(=O)(=O)c2cccs2)cc(OC)c1OC 2770825 KPKFNBMUKHGPIQ-UHFFFAOYSA-N 329.399 2.575 0 50 EFAA Cc1nnc(CNC(=O)c2ccc(-c3nccc4ncccc34)cc2)o1 2356168052 NLIJMVJFJCNXKF-UHFFFAOYSA-N 345.362 2.918 0 50 EFAA Cc1ccn2c(C3CCN(C(=O)c4scnc4C)CC3)nnc2c1 225444212 CYWDNWKVHSMATK-UHFFFAOYSA-N 341.440 2.822 0 50 EFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 55183393 OUOHBAMAFRTSDK-OAHLLOKOSA-N 325.412 2.903 0 50 EFAA CNc1nc(C)c(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)s1 55404414 WLHZFOPXIMKOSQ-CQSZACIVSA-N 346.456 2.710 0 50 EFAA COc1ccccc1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 345599698 UAIHGHFOUVLFGI-YOEHRIQHSA-N 347.361 2.850 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(c2ccccc2)CCOCC1 248148507 SNDAAXNBANZRAY-RTBURBONSA-N 342.483 2.820 0 50 EFAA C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccc(Cl)cc1 248516325 OTKAJHASKPZMEK-KNCCTNLNSA-N 349.906 2.789 0 50 EFAA COc1cccc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)c1OC 67641250 GTGCJSJKONTYTK-GFCCVEGCSA-N 327.384 2.711 0 50 EFAA CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)s1 348767211 ZKPIEMMZAOFJPC-UHFFFAOYSA-N 348.449 2.953 0 50 EFAA C[C@]1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)C1 136700543 IXWBZDQLEZKKGS-LBPRGKRZSA-N 337.228 2.692 0 50 EFAA CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc21 28404101 SQSGPOFIISNHKI-UHFFFAOYSA-N 349.346 2.949 0 50 EFAA Cc1noc([C@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)n1 65460361 PGIVFHNKLYMNQS-LLVKDONJSA-N 349.460 2.908 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc2nsnc2c1 67587711 FEXWLIRMLFJYHC-LLVKDONJSA-N 329.429 2.889 0 50 EFAA O=S1(=O)CC[C@@H](N[C@@H](c2ccccc2)C(Cl)(Cl)Cl)C1 20280593 YEDTURFODVNLJO-MNOVXSKESA-N 342.675 2.875 0 50 EFAA Fc1cncc(CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)c1 281931454 DITUQCIYKPQHOV-MRXNPFEDSA-N 340.358 2.844 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccccc2)C[C@@H](C)O1 229518108 CINKNQWGUFBWKR-ZHALLVOQSA-N 330.472 2.719 0 50 EFAA O=C(Cc1ncccc1F)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 282026760 ARHOIVGFCMPGPZ-GOSISDBHSA-N 348.805 2.935 0 50 EFAA C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ncc(Br)cn1 330629322 MVLBGQITGACERG-YUMQZZPRSA-N 334.164 2.852 0 50 EFAA COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)C1[C@@H]2CCC[C@@H]12 230202840 JHZLFNUVJVXGMQ-FMKPAKJESA-N 344.386 2.553 0 50 EFAA Cn1cc([C@@H](O)C(=O)N2CCC[C@H]2c2cccc3ccccc23)cn1 253406265 XQPOXEAETRCWLH-RBUKOAKNSA-N 335.407 2.970 0 50 EFAA CN(C)C[C@@H](NC(=O)N[C@@H]1CCCOCC1)c1ccc(Cl)cc1 283746384 YJXJRALGBKXAHJ-HZPDHXFCSA-N 339.867 2.811 0 50 EFAA Cc1cc(C)cc(N2CCN(Cc3ccccc3C(=O)O)CC2=O)c1 67884117 DJLGQPNUHGGRLU-UHFFFAOYSA-N 338.407 2.850 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)CSC)(c2ccccc2)CC1 490737136 XVOJNWKJZHDOCH-OAHLLOKOSA-N 346.496 2.601 0 50 EFAA C[C@H](CS(=O)(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccccc1 325376567 VCSHDQXKVZIOPE-CQSZACIVSA-N 347.436 2.950 0 50 EFAA COCCN1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77300415 BEYHXNNZPJNAJG-FQEVSTJZSA-N 330.472 2.580 0 50 EFAA CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCC2CCC2)C1 367657218 HVAZGDFTXXUBIZ-OAHLLOKOSA-N 325.478 2.602 0 50 EFAA CCn1ccnc1CN(C(=O)c1ccsc1)[C@H]1CC12CCNCC2 370164204 RMCGGBSLTAOIHX-HNNXBMFYSA-N 344.484 2.749 0 50 EFAA Cc1nc(-c2ccc(C(=O)NC[C@@]3(CCO)CCOC3)cc2)cs1 242324355 ZAOQMMBUYKBXJQ-GOSISDBHSA-N 346.452 2.637 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CC(O)(Cc2cccc(F)c2)C1 372408155 GLLJVWZIYRGHNQ-UNTBOYLDSA-N 345.418 2.522 0 50 EFAA COc1ccc(NC2(C(=O)N[C@@H]3CC[C@@H](N)C3)CCCCC2)cc1 71756907 YNIPIKSEPFCYNE-GDBMZVCRSA-N 331.460 2.806 0 50 EFAA CSc1nc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cs1 218820794 KDHSJPXXFIFPTJ-CQSZACIVSA-N 349.481 2.846 0 50 EFAA O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CC(c2cccnc2)C1 72167036 AQMURMMPGCKDCR-OAHLLOKOSA-N 336.313 2.760 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@@H](C(N)=O)c1ccccc1 229509114 OIKFBPAQJRJBMK-DZGCQCFKSA-N 332.835 2.745 0 50 EFAA COc1cc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)ccc1C 286886808 OSQNQUQTRVJGDU-KURKYZTESA-N 347.455 2.589 0 50 EFAA CCc1nc(C)c(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)o1 82121785 RQNCMQXXDARLMU-ZDUSSCGKSA-N 341.411 2.731 0 50 EFAA Cc1cc(N2C[C@H](C)O[C@]3(CCCOC3)C2)nc(-c2cccnc2)n1 241383299 MUBSARASVQZCST-HNAYVOBHSA-N 340.427 2.621 0 50 EFAA Cn1ncnc1[C@H]1COCCN1Cc1csc(-c2ccccc2)n1 342123768 HJHZNBJKOWJVRW-OAHLLOKOSA-N 341.440 2.512 0 50 EFAA COC(=O)N1CCC(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)CC1 44123908 WRZOOPVTTSTZQW-AWEZNQCLSA-N 347.411 2.927 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Br)C1 178265473 XPCWWXWWKXDPAE-SSDOTTSWSA-N 332.581 2.649 0 50 EFAA Cn1nccc1CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 426739091 QWHGUIDCFJOPIH-HNNXBMFYSA-N 345.418 2.809 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 225692890 QDYGNXXHNLFGGH-ZJPYXAASSA-N 349.386 2.546 0 50 EFAA Cc1c(CN2CCC[C@@H](CS(C)(=O)=O)C2)[nH]c2ccc(F)cc12 97514316 AMXVWDUEIZOMFG-CYBMUJFWSA-N 338.448 2.872 0 50 EFAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)NC1(CO)CCCC1 426555468 IPZXMEGXFQDXRL-KRWDZBQOSA-N 343.402 2.914 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c(F)c1 91943116 FREDHHWDBPPOFN-INIZCTEOSA-N 334.435 2.851 0 50 EFAA CC(C)(C)NC(=O)CCN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95368627 REBIDEHVXVLHSN-MRXNPFEDSA-N 332.444 2.869 0 50 EFAA Cc1cc(C)n(-c2cccc(-c3ccccc3S(N)(=O)=O)c2)n1 96162553 ZWPHURLGNCHYTC-UHFFFAOYSA-N 327.409 2.804 0 50 EFAA O=c1cc(CN2CCC([C@H](O)c3ccccn3)CC2)[nH]c2ccccc12 97743083 ZNNVDXPNYPRUQW-NRFANRHFSA-N 349.434 2.869 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H](OCc3cccnc3)C2)cn1 96160846 YFRMOGUYGZEUPH-MRXNPFEDSA-N 342.399 2.698 0 50 EFAA CN(CCc1cn[nH]c1)C(=O)COc1ccc(Cl)cc1Cl 91594835 HSOMSHAXTUXORD-UHFFFAOYSA-N 328.199 2.796 0 50 EFAA COC1(CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CCC1 181520026 VUXBCDYQIYUERC-HNNXBMFYSA-N 346.427 2.873 0 50 EFAA Cc1cc(NC(=O)COC[C@@H]2CCOC2)nn1-c1cccc(Cl)c1 183318032 JVCTUAPCRZURHX-CYBMUJFWSA-N 349.818 2.826 0 50 EFAA O=C1N(Cc2ccc(C(F)(F)F)cc2)CCN1C1CCNCC1 263624352 PPNHANSSBNEROP-UHFFFAOYSA-N 327.350 2.695 0 50 EFAA O=C(Nc1cncc(F)c1)N1CCC([C@H](O)c2ccccn2)CC1 299789775 CMINRPZDOHHRRG-INIZCTEOSA-N 330.363 2.593 0 50 EFAA NCCOc1ccc(CC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 299796165 MLASZTCQSZFUCB-LJQANCHMSA-N 339.439 2.715 0 50 EFAA Cc1ncn(CCNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1C 827847629 CHTRRRKZMBFRKG-UHFFFAOYSA-N 328.391 2.788 0 50 EFAA CC(C)=CCN1CCC(NC[C@H]2CC[C@@H](c3nc(C)no3)O2)CC1 1875256459 LYRBHIZVHRXFPI-SJORKVTESA-N 334.464 2.618 0 50 EFAA CN(C)CCc1ccc(C(=O)N[C@@H]2COc3cccc(F)c32)cc1 1875266893 BBRCYJZFWXSVEM-MRXNPFEDSA-N 328.387 2.793 0 50 EFAA Cc1cc(C)c2cc(NC(=O)[C@H]3NCC34CCOCC4)ccc2n1 1875276550 ARBQQIFACRFJOQ-QGZVFWFLSA-N 325.412 2.559 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1Cc2ccccc2CO1 1875314734 OTVGQZUYZCXUNJ-NEPJUHHUSA-N 327.384 2.530 0 50 EFAA CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 953025837 BCILWDDBRBMFDZ-UHFFFAOYSA-N 334.460 2.880 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)/C=C/c1cc(CO)cs1 952983580 PQFIDQFBCUUDAO-IWAYRVGRSA-N 331.437 2.836 0 50 EFAA COc1cc(F)c(C(=O)N(C)CCN(C)C2CCCC2)c(F)c1 952983941 MHOZNCLVFCQNPM-UHFFFAOYSA-N 326.387 2.920 0 50 EFAA Cc1cc2ccccc2nc1C(=O)NC[C@H]1CCN1C1CCOCC1 885892866 FFGDVIVUPQDULC-QGZVFWFLSA-N 339.439 2.526 0 50 EFAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(-c2ccncc2)cc1 886096829 HMULPUOPRLGLCU-VVHHDAOASA-N 334.423 2.970 0 50 EFAA CC(C)c1ccc(CCC(=O)NCc2cnc3n2CCOC3)cc1 890843483 HTSGQZLAOIGWEN-UHFFFAOYSA-N 327.428 2.786 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O)c1ccccc1C 1775956838 IZPVKSREEBVPKE-AZDLQKHBSA-N 329.440 2.787 0 50 EFAA C[C@H](CC(=O)N1CCCN(c2ccccc2)CC1)C1CCNCC1 165799677 YODJYWYRYXEUQK-QGZVFWFLSA-N 329.488 2.751 0 50 EFAA COCc1cccc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c1 275283185 GCIOAOYMUDQDSS-OAHLLOKOSA-N 345.399 2.553 0 50 EFAA C[C@@]1(O)CCCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 186458947 SUISVXVYBSBQPX-GDBMZVCRSA-N 342.361 2.658 0 50 EFAA C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC1(O)CCOCC1 186661506 WWNFBWSCKVZCSQ-CRAIPNDOSA-N 346.471 2.883 0 50 EFAA COc1ccc2c(c1)OCCC[C@@H]2NCCn1cnnc1C1CC1 170077876 HPTBLYMCPQPQQV-INIZCTEOSA-N 328.416 2.668 0 50 EFAA C[C@H](NC(=O)N1CC(=O)N(CC2CC2)C1)c1c(F)cccc1Cl 278898118 FKWAPGGLYGPBHA-JTQLQIEISA-N 339.798 2.761 0 50 EFAA O=C([C@@H]1C[C@@H]1C1CC1)N1CCC(c2nnc(S)n2C2CC2)CC1 170655882 AUDFSTXKCZIHJY-ZIAGYGMSSA-N 332.473 2.654 0 50 EFAA COc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)c2cccnc2)c1 170611652 RQXHFFMNUOGXFA-INIZCTEOSA-N 341.455 2.784 0 50 EFAA CCc1nn(C)c(CC)c1CC(=O)N1CCCc2cccc(O)c21 189900079 IMVPTIGYRHFYMU-UHFFFAOYSA-N 327.428 2.772 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)NCc1nnc(C)n1C1CC1 191231976 KBHIQGRPCNNPOT-UHFFFAOYSA-N 333.823 2.937 0 50 EFAA O=C(O)COc1cccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 668323205 SFCWJPVMIVSDKD-KOMQPUFPSA-N 343.354 2.965 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 779857404 QKIIFFNNWNMIQE-BARDWOONSA-N 333.432 2.905 0 50 EFAA Cc1c(NC(=O)Cn2ccc3ccccc32)c(N2CCCC2)nn1C 1529191699 CEFJCZIGVPUFPG-UHFFFAOYSA-N 337.427 2.922 0 50 EFAA CCC[C@H]1CN(Cc2ccc(OCC)c(OC)c2)C[C@@H]1NC(C)=O 222121552 WYJLMIIARXKKQG-IRXDYDNUSA-N 334.460 2.831 0 50 EFAA O=C(O)CCCN1CCO[C@H](c2cccc(Br)c2)C1 116388842 MNNCSHNXLAPOJT-ZDUSSCGKSA-N 328.206 2.687 0 50 EFAA CC(=O)N[C@@H](NC(=S)N1CCCCCC1)C(Cl)(Cl)Cl 13543758 DXGJQSOCXGUEAZ-VIFPVBQESA-N 346.711 2.569 0 50 EFAA C[C@H]1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1 19913633 BHCOUVSYFBAXAH-OAHLLOKOSA-N 336.439 2.564 0 50 EFAA O=C(NCc1ccc(OC(F)F)c(F)c1)N[C@H]1C[C@H]2CC[C@@H]1O2 1857528635 KVCOYKGGLWHNNJ-CDMKHQONSA-N 330.306 2.546 0 50 EFAA Cc1oc(-c2ccc(F)cc2)nc1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669380 DNNLKIGQIPVPAR-HNAYVOBHSA-N 346.402 2.620 0 50 EFAA O=C(NCc1nc2ncccc2o1)c1cnc(Nc2ccccc2)nc1 1857673903 NMNVLJIYCBCWDQ-UHFFFAOYSA-N 346.350 2.686 0 50 EFAA O=C([C@@H]1CC[C@H](Nc2ccc(OC(F)F)cn2)C1)N1CCCC1 328588939 YYMPAYBABMMILA-NEPJUHHUSA-N 325.359 2.886 0 50 EFAA Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCSc2ccccc21 330115652 FTZZXMBTELUBEQ-LLVKDONJSA-N 343.861 2.589 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225683442 QZNZVTHFYWDADO-WMLDXEAASA-N 337.354 2.717 0 50 EFAA COCC(C)(C)N1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 424988164 DWODKRGTXBZBIB-UHFFFAOYSA-N 341.455 2.726 0 50 EFAA O=C(O)c1cccc2c1CCN(C(=O)[C@H]1COc3ccccc3C1)C2 328164403 RMUAVNANDPHKAO-OAHLLOKOSA-N 337.375 2.521 0 50 EFAA CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 124205198 FYMRGBSAGJIREO-OAHLLOKOSA-N 341.411 2.990 0 50 EFAA Cn1ncc2c1CCCN(C(=O)c1ccc(Cc3ccccc3)[nH]1)C2 822605276 GOAOJKXGHZFSRU-UHFFFAOYSA-N 334.423 2.928 0 50 EFAA COCc1ccc([C@@H]2COCCN2C(=O)c2ccc(N(C)C)cc2)o1 900665464 FJOJMFRQQXQHDU-KRWDZBQOSA-N 344.411 2.706 0 50 EFAA Cc1cnc2c(cnn2Cc2nc(C[C@H]3COc4ccccc43)no2)c1 904159680 OLCWYSBSFWIUOG-AWEZNQCLSA-N 347.378 2.890 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br 7308146 XZANJRQORMYGIF-QWRGUYRKSA-N 348.262 2.555 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCn3nc(C4CC4)cc3C2)cn1 930975001 DMLGUXYBECTWDC-GFCCVEGCSA-N 340.431 2.976 0 50 EFAA Cc1nonc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 932226020 NPQFDWBGZUKQMU-UHFFFAOYSA-N 342.321 2.835 0 50 EFAA CC(C)(C)n1nc(C(=O)NC[C@@H]2CNC3(CCC3)C2)cc1C1CC1 2325788878 OHZOMRJYPFXWJP-CYBMUJFWSA-N 330.476 2.778 0 50 EFAA CC(=O)N(C)[C@@H]1CCC[C@@H](NC(=O)Cc2cccc3cccnc23)C1 2325871766 YGICZNPWBAMHJJ-QZTJIDSGSA-N 339.439 2.683 0 50 EFAA O=C(CNC(=O)N1CCCC1)Nc1ccc(C(F)(F)F)c(F)c1 912837504 YXBUTULKOOIVFQ-UHFFFAOYSA-N 333.285 2.588 0 50 EFAA COC(=O)c1sccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 70084 KEWKOHHMZAYKDK-WDEREUQCSA-N 337.397 2.920 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccco1)c1ccccc1 381807 JLGHRNALYPIMRQ-IBGZPJMESA-N 348.402 2.937 0 50 EFAA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 467049 QRRLFIXZSVTUKJ-UHFFFAOYSA-N 344.864 2.653 0 50 EFAA COc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC 609527 LVPCYAWYDUWLDG-GFCCVEGCSA-N 341.363 2.949 0 50 EFAA CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1Cl 4756925 CPBAAXCUAHGTCA-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA COc1cc(C)c(Br)cc1S(=O)(=O)n1ccc(C)n1 6700800 YLIOPYHRYASTDM-UHFFFAOYSA-N 345.218 2.508 0 50 EFAA COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc1 6729731 AYIKGIZGKZZFDQ-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 8844252 XPUBXQFGIRTNBH-UHFFFAOYSA-N 329.425 2.688 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ccc(OCC3CC3)cc2)C1 344006254 HABVHXXIDAIZJV-MSOLQXFVSA-N 342.443 2.566 0 50 EFAA O=C(COc1ccc2ccccc2c1)NCCOC[C@@H]1CCCO1 115419650 LNWBTYFPEOOBCM-SFHVURJKSA-N 329.396 2.530 0 50 EFAA C[C@@H]1C[C@H](N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C(=O)O1 229428311 YOJGCPQIIKNLDV-KYOSRNDESA-N 345.374 2.759 0 50 EFAA COCc1cccc(CNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 229425826 DCKRSNMOLHYFCH-CVEARBPZSA-N 333.476 2.753 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(-n2ccnc2)nc1 252478003 ZPAOGOWSVWVJKV-FXAWDEMLSA-N 347.466 2.877 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 67725644 LDCPEMXYQPOUAQ-SNVBAGLBSA-N 339.399 2.624 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)C1CC1 67674361 ANQAIGDEUHFQTJ-INIZCTEOSA-N 339.374 2.830 0 50 EFAA CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCOCC1 67872934 SJPAZDHDXNRQQB-UHFFFAOYSA-N 344.411 2.505 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@H](O)c1ccccc1 328587011 VWQBVWPQYJMXLR-UFYCRDLUSA-N 325.456 2.740 0 50 EFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)CC1 328608352 YRVXXPWUZUIKFG-MRXNPFEDSA-N 338.835 2.628 0 50 EFAA NCCc1cccc(CN2CCCC[C@@H]2CCN2CCCC2=O)c1 77407074 JXIQKESGMZTWSR-LJQANCHMSA-N 329.488 2.555 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nc(C)c(C)o2)n1C 328646845 SUSVEDXMFHRUTM-HNNXBMFYSA-N 330.432 2.717 0 50 EFAA CC(C)(C)c1nc(=NC(=O)c2scnc2C(F)(F)F)s[nH]1 331357677 UGOOVPCPPVZFLX-UHFFFAOYSA-N 336.364 2.985 0 50 EFAA COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(C)c1C 39379733 VWDFKPMXNPCNOB-LJQANCHMSA-N 334.504 2.837 0 50 EFAA CC(C)c1cc(NC[C@H](O)COCc2ccccc2)n2nccc2n1 72147006 UQQJXAFESKGYSP-INIZCTEOSA-N 340.427 2.842 0 50 EFAA O=C(COc1ccc(F)cc1F)N1CCOC[C@H](C2CCC2)C1 368354657 KOINIJLAVJMCCR-CYBMUJFWSA-N 325.355 2.619 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 156526963 DOXNHIPSPDBAHL-VXGBXAGGSA-N 332.835 2.930 0 50 EFAA Cc1ccccc1-c1ccccc1C(=O)N1CCc2c(nc[nH]c2=O)C1 72144999 YOBHECQUEDCVJY-UHFFFAOYSA-N 345.402 2.944 0 50 EFAA C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)[C@@H]1CN 156861410 NEWBDWYNBXVBQU-HNAYVOBHSA-N 339.439 2.860 0 50 EFAA Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)CCO1 333777820 UMDPBFBGRIIQQN-QWHCGFSZSA-N 331.441 2.620 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 237407857 MHEKAIHIFSXXEA-CHWSQXEVSA-N 326.387 2.710 0 50 EFAA C[C@]1(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)CCCCO1 457766029 PQOWRABEZOONGZ-LJQANCHMSA-N 331.456 2.789 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 237959290 JIBCNMKFSCZERE-QRGHLMKCSA-N 329.274 2.532 0 50 EFAA O=C(c1ccoc1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72411259 KCFLCYVKGMFRMJ-UHFFFAOYSA-N 333.315 2.557 0 50 EFAA Cc1ccn(CC(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n1 77387746 FVTRUQPXIHBQJR-HNNXBMFYSA-N 337.427 2.782 0 50 EFAA CCC[C@@H](C)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 240321524 FAAKRXVZVHGMLU-ZBFHGGJFSA-N 332.444 2.900 0 50 EFAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H]1CCN(c2ccccc2)C1 241139474 JRFAHXJZQXSQGA-HLLBOEOZSA-N 343.427 2.670 0 50 EFAA CCCOc1ccc(NC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 241338701 MDBSIBYQFKLPHE-UHFFFAOYSA-N 331.416 2.608 0 50 EFAA CN1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)Cc2ccccc21 241587826 OXMSVPWVZSFSJV-UHFFFAOYSA-N 348.410 2.751 0 50 EFAA Cc1csc(-c2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)n1 241588191 PAPHGSYJTCHRGC-NSHDSACASA-N 339.424 2.980 0 50 EFAA CCc1cccc2c(CCNS(=O)(=O)c3ccccn3)c[nH]c12 133326291 JRDQOFXOACGDHR-UHFFFAOYSA-N 329.425 2.646 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1cnn(-c3ccccc3F)c1)CC2 245849976 BGVJUCHDTDKMFF-GJZGRUSLSA-N 343.406 2.712 0 50 EFAA C[C@H](NC(=O)CN1CCC[C@H]1CN1CCCCC1)c1ccccc1 246227444 SJRVJJUMLZKPSO-HKUYNNGSSA-N 329.488 2.814 0 50 EFAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 263332529 LVANPXOWCCHHFN-UWVGGRQHSA-N 349.337 2.538 0 50 EFAA CCN(C(=O)c1ccc(N(C)CCO)cc1)[C@@H]1CCOC(C)(C)C1 222792325 JKXBLTKYFVLAEG-QGZVFWFLSA-N 334.460 2.535 0 50 EFAA Cc1nccc(C2CCN(C(=O)CC[C@H](C)N3CCCC3)CC2)n1 221296051 BJEMSLUZYPIXGW-HNNXBMFYSA-N 330.476 2.756 0 50 EFAA O=C1NCCCC[C@@H]1n1ccnc1-c1ccccc1Cn1cccn1 82107155 ISPNCVFWPUAUIL-KRWDZBQOSA-N 335.411 2.636 0 50 EFAA COCc1ccsc1C(=O)N(C)C[C@H]1COc2ccccc2O1 179873423 BELJFDPLEIPKQQ-ZDUSSCGKSA-N 333.409 2.807 0 50 EFAA CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 95522709 DSVXDJKZFTZKEU-UHFFFAOYSA-N 344.535 2.665 0 50 EFAA COC(=O)c1cc(-c2ccc(C(=O)NCC3CCOCC3)cc2)c[nH]1 426412665 FCPWQWYZKUWQCW-UHFFFAOYSA-N 342.395 2.625 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCc2[nH]c(-c3ccccc3)nc2C1 96139186 VCSNDZJWMJXHKE-UHFFFAOYSA-N 335.411 2.707 0 50 EFAA CSc1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cs1 91665337 TUYNETWSNMJJHR-CHWSQXEVSA-N 337.514 2.811 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)Nc1cc2c(cc1F)NC(=O)CC2 163230237 KBMHRLNMKLWSMN-UHFFFAOYSA-N 342.326 2.620 0 50 EFAA COc1cc(OC)cc(N2CCCN(c3cccc(F)n3)CC2)c1 268223305 RSZYUHLPMNAUJS-UHFFFAOYSA-N 331.391 2.955 0 50 EFAA CCc1nc(C)sc1CN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91461228 BKUACUAVXSRCNK-LSDHHAIUSA-N 333.501 2.847 0 50 EFAA Cc1nnc(CN(C)C(=O)Nc2ccnn2CC2CCCCC2)o1 95525818 BCQVBOLBAGHZQZ-UHFFFAOYSA-N 332.408 2.819 0 50 EFAA Cn1nc(C(=O)NC[C@H]2CCCc3ccccc32)cc1OC(F)F 184975543 NNSLRXCMJXRCGP-GFCCVEGCSA-N 335.354 2.871 0 50 EFAA C[C@H]1CN(C(=O)CN2CCC[C@H](c3ccccc3)CC2)C[C@@H](C)O1 340186891 WSLSLKKKAFBDCQ-SCTDSRPQSA-N 330.472 2.892 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)Nc1nc(C2CC2)cs1)C(C)(C)CO 297597102 FPZVHZFHOSVMSE-GFCCVEGCSA-N 349.460 2.635 0 50 EFAA Cc1ccc(S(=O)(=O)N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5CC=C[C@H]45)[C@H]32)cc1 248045737 XAGFDLUKDSVZOM-RHJCGQNESA-N 329.425 2.946 0 50 EFAA Fc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)ncn2)c1 253417824 JAVFFCQSJABGBF-MRXNPFEDSA-N 328.391 2.794 0 50 EFAA O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCCC2(CC2)C1 185397007 FCIALWAWBHNPLK-UHFFFAOYSA-N 335.404 2.576 0 50 EFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3cncs3)O2)CC1 299764068 KAFAZFAUEHCDEB-OAHLLOKOSA-N 349.500 2.853 0 50 EFAA CCOc1ccc(OCc2nc([C@H]3CCCCN3C(C)=O)n[nH]2)cc1 823380009 FLVSXBIBHQHGKP-MRXNPFEDSA-N 344.415 2.856 0 50 EFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)CC3(C)COC3)CC2=O)cc1 822264142 ATHRRHZMHJGAFC-INIZCTEOSA-N 344.455 2.658 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1F 864431800 UORNMEBPBXSPIS-UHFFFAOYSA-N 343.420 2.609 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCOc2ccccc2C1 670467223 VGTARHWLLZQXRJ-OAHLLOKOSA-N 339.439 2.936 0 50 EFAA O=C(CC1(C(=O)O)CC1)N1CCc2ccccc2[C@H]1c1cccnc1 1875319348 YTICQEOIYXZBJB-GOSISDBHSA-N 336.391 2.811 0 50 EFAA NC[C@@]12CCCC[C@H]1CN(C(=O)c1ccc3ncccc3c1F)C2 1875304258 FMRZVVTZIHESIB-ORAYPTAESA-N 327.403 2.965 0 50 EFAA O=C(C[C@@H](O)c1ccccc1)N1CC[C@H](CO)[C@H](c2ccccc2)C1 1875312898 JLVYHYJKIAWPLF-HSALFYBXSA-N 339.435 2.735 0 50 EFAA C[S@](=O)c1ccc(NS(=O)(=O)c2cccc3ccncc23)cc1 1875317320 VFFFHHPNEULWFQ-QFIPXVFZSA-N 346.433 2.773 0 50 EFAA Cc1ccccc1[C@@H](c1noc([C@H](O)c2cnn(C)c2)n1)C(C)C 952876902 ZSYKNOIBVDIFRL-JKSUJKDBSA-N 326.400 2.981 0 50 EFAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(CC(=O)O)cc1 1875270791 BBRTVZSKLUUOKG-CYBMUJFWSA-N 327.380 2.723 0 50 EFAA FC1(F)[C@@H]2[C@@H](N=c3[nH]n4cc(-c5cccnc5)nc4s3)CC[C@H]21 1875294652 LLXGRXXTUXJDRF-SCVCMEIPSA-N 333.367 2.730 0 50 EFAA O=C([C@H](c1ccccc1)n1cnc2ccccc21)N1CCn2nccc21 1875255039 TXLJTNPPOHPBMA-IBGZPJMESA-N 343.390 2.869 0 50 EFAA Cc1n[nH]cc1CNC(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 891992181 ZOMWKKPJEIIRBC-LJQANCHMSA-N 338.411 2.868 0 50 EFAA Clc1cccc(-c2cc(N3CCC(c4nn[nH]n4)CC3)ncn2)c1 895005607 HHJLHFXJCJWCDO-UHFFFAOYSA-N 341.806 2.694 0 50 EFAA Cc1cnc(CNCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)[nH]1 898161466 BRVKAWNQSAFJSJ-UHFFFAOYSA-N 339.361 2.833 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@]2(C(=O)O)C(C)C)c1 899778943 LHTVQMKITSECMC-KDOFPFPSSA-N 347.415 2.538 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1ccnc(Cc2ccccc2)n1 275591516 PRPJJFGYPCCMJZ-YJBOKZPZSA-N 335.411 2.743 0 50 EFAA Fc1ccc2c(c1)[C@@H](c1noc(C3CN(CC(F)(F)F)C3)n1)C2 632220885 IUMFILPNKICDLT-LBPRGKRZSA-N 327.281 2.858 0 50 EFAA O=C(O[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)-c1ccccc1CC2 170617071 CPEMBQDVVOWXGW-ZDUSSCGKSA-N 348.445 2.858 0 50 EFAA O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1cccnc1 171142444 LGEARDLYFSTYJN-UHFFFAOYSA-N 342.786 2.843 0 50 EFAA Cc1c(Br)ccc(NC(=O)N2C[C@H](O)C[C@@H]2C)c1F 408392985 KSFUGCORSBGVAU-IONNQARKSA-N 331.185 2.884 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@H]2CNC[C@H]2C1 408520185 RLXQOMPEXOVWEW-NZBPQXDJSA-N 338.373 2.877 0 50 EFAA CC[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C)c1ccccc1 408515193 CIPOFYZFLKKBQE-IKGGRYGDSA-N 327.428 2.950 0 50 EFAA Cc1cc(C)n(-c2ccccc2CN2C(=O)N[C@@H](C(C)C)C2=O)n1 221737278 DEPIXKFTPXCHLK-INIZCTEOSA-N 326.400 2.566 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H](n2cncn2)C1 191582312 QYSQSLOSSWSVRP-KRWDZBQOSA-N 325.416 2.702 0 50 EFAA CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2cccc(O)c2)ncn1 194921529 VVFGZQLJTZRXHY-ZFWWWQNUSA-N 327.432 2.544 0 50 EFAA COc1cccc(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)c1C 659147511 BUWJBQPDILCXOQ-IBGZPJMESA-N 327.380 2.776 0 50 EFAA C[C@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1cscn1 660519780 YBUDRRRGHNKJKG-NSHDSACASA-N 332.429 2.887 0 50 EFAA CC(=O)N[C@H]1CN(c2ccc(C(C)=O)cn2)C[C@@H]1c1ccc(C)cc1 219403857 DLPYOVJBEMODOO-MOPGFXCFSA-N 337.423 2.701 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337705 CWDRXRXTZRYQLG-JKIFEVAISA-N 342.418 2.562 0 50 EFAA O=C1NC(=S)N(C(=O)c2ccc(F)cc2)/C1=C/c1ccccc1 1293723 PSIHFKPXRKBLPT-GXDHUFHOSA-N 326.352 2.724 0 50 EFAA aggregator O=C(NCc1cn2ccncc2n1)c1c(Cl)ccc2ncccc12 1775984001 GARGYNBRXUPQOF-UHFFFAOYSA-N 337.770 2.861 0 50 EFAA Cc1cc(CC(=O)NCc2nccn2Cc2ccccc2)cc(C)n1 1772817468 QPPNERDBIRPRRC-UHFFFAOYSA-N 334.423 2.802 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc(CC(F)(F)F)c1 1772815546 UJSFLTCNVLRDKG-DOMZBBRYSA-N 326.362 2.987 0 50 EFAA CC(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2ccccc21 12379544 PMNJSNMHQXOBJS-UHFFFAOYSA-N 349.438 2.515 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)nc(C)n1 12581243 RVBWEMUJROXZMD-KRWDZBQOSA-N 330.476 2.868 0 50 EFAA COCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13425472 GAGNNYWHKIBVEU-YHFFBGSDSA-N 333.387 2.525 0 50 EFAA CCc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 13744950 VUWYQQDTODIEKC-INIZCTEOSA-N 339.439 2.760 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C(=O)O 16622304 NYEAATPPHBPLFE-UHFFFAOYSA-N 347.392 2.683 0 50 EFAA O=c1c2cc(-c3ccccc3)nn2ccn1C[C@H](O)c1ccccc1 169758204 WWTVCLRSUXJITH-IBGZPJMESA-N 331.375 2.897 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(c2nncn2C(C)C)CC1 408387226 QXZIYZNDBHXCHR-HZPDHXFCSA-N 334.464 2.770 0 50 EFAA CCOC(=O)C(C)(C)c1csc(-c2c(CC)c(CC)n[nH]c2=O)n1 225565822 ZFNCJYCAKVPPNB-UHFFFAOYSA-N 349.456 2.859 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 238008822 DVYGWKYPDRYYSF-PBHICJAKSA-N 331.412 2.794 0 50 EFAA CC1(C)CCCN(CCNC(=O)c2ccncc2C(F)(F)F)C1 337620498 FPEMJUBONMBKPO-UHFFFAOYSA-N 329.366 2.952 0 50 EFAA CCC1(CNC(=O)N2CCC(c3ccccc3C(=O)O)CC2)COC1 666551091 YYBYXAQWWNSQLS-UHFFFAOYSA-N 346.427 2.700 0 50 EFAA COCCn1c(C(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)cc2ccccc21 252515559 LOFXVYLLGXYJLA-MIFYACCESA-N 330.428 2.974 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2cccc([C@H](C)C(=O)O)c2)n1 263322469 NUPVBEYQUCRZPC-NSHDSACASA-N 331.372 2.952 0 50 EFAA O=C(O)c1cc(S(=O)(=O)N(CC(F)F)CC2CCC2)cs1 906906351 CEFABJCBPDMEPI-UHFFFAOYSA-N 339.385 2.502 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)c1cnc2n1CCCCC2 909331012 AUYXBLPAJVAIFO-HNNXBMFYSA-N 347.802 2.819 0 50 EFAA Cc1nc([C@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C2)no1 930768094 KAKBYEAIGXCCTM-ZDUSSCGKSA-N 327.388 2.673 0 50 EFAA O=C(NCC(=O)N1CCCCc2ccccc21)c1conc1C1CC1 832785794 GNIHVBJPJVNOJI-UHFFFAOYSA-N 339.395 2.651 0 50 EFAA C=CC(=O)N(C)CC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 860032191 UXPHTGGLABLGCV-HNNXBMFYSA-N 329.444 2.957 0 50 EFAA CN(CCC(=O)N1CC[C@@H](n2cc3ccccc3n2)C1)c1ccncc1 2325730658 VYDUIZXAVHTTIA-GOSISDBHSA-N 349.438 2.731 0 50 EFAA O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1F 462734 ANPBQRLTTXYNDB-UHFFFAOYSA-N 332.356 2.724 0 50 EFAA COc1ccccc1CNC(=O)CN1CCC2(C=C(C)CCO2)CC1 2356154218 NDRWSGSVSKYLBD-UHFFFAOYSA-N 344.455 2.513 0 50 EFAA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2 3432424 SIUSGZIWJYJFJF-GFCCVEGCSA-N 331.393 2.598 0 50 EFAA COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 4030079 AJVSSGNKSYTTHY-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COc2ccc(F)cc2)c1 225740688 VMQYPOBFUAGRBB-YJBOKZPZSA-N 345.370 2.548 0 50 EFAA Cc1ccc(C)c(OCC(=O)NCc2noc([C@H]3CCCO3)n2)c1C 55072064 OZBMRIXBIMDXRF-CQSZACIVSA-N 345.399 2.542 0 50 EFAA O=C(NCc1cccc(N2CCCC2=O)c1)c1cc2ccccn2c1 114236995 WWJBXCYUXPTLOB-UHFFFAOYSA-N 333.391 2.996 0 50 EFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2c2ccco2)[nH]n1 116211488 PPPYTWJWXWYRCK-HNNXBMFYSA-N 339.399 2.997 0 50 EFAA CCN(C(=O)CN1CCC[C@H]1[C@H]1CCCN1C(C)=O)C1=CCCCC1 247963862 WKDQOSQLFYMVBH-RBUKOAKNSA-N 347.503 2.768 0 50 EFAA O=C(c1ccnc(-c2cccc(-c3cc[nH]n3)c2)c1)N1CCOCC1 20866028 BXQDAZMZCSKZEL-UHFFFAOYSA-N 334.379 2.611 0 50 EFAA C[C@@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@@H]2CCCC[C@@H]12 229224111 JFNSDSSUSYUPQY-DVOMOZLQSA-N 325.412 2.964 0 50 EFAA CC(=O)NCCN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67675142 ZKJGPHOQVGNBSG-UHFFFAOYSA-N 340.423 2.698 0 50 EFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1COc2ccccc2C1=O 248725213 MZZOKFHZFNYRTJ-KBMXLJTQSA-N 331.412 2.732 0 50 EFAA O=C(C/C=C/c1ccccc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 347154971 HDRDELUQPCASMN-JNETWEIOSA-N 333.403 2.617 0 50 EFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)ccc2C)C1 347959610 ZZUNKPOFTBSKHJ-JSGCOSHPSA-N 346.324 2.806 0 50 EFAA Oc1ccc(-c2noc(Cc3ccccc3O[C@H]3CCOC3)n2)cn1 351092147 GVEHZODUFJUQGM-AWEZNQCLSA-N 339.351 2.596 0 50 EFAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1 229848673 ZOSYHUSRUNJUNB-JVPBZIDWSA-N 339.439 2.623 0 50 EFAA COc1ccc(CNCCC(=O)NCc2cccs2)cc1OC 65426347 PIZRGCJAMLKWLA-UHFFFAOYSA-N 334.441 2.561 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 229949010 AKOITJFHVGGYHD-KEYYUXOJSA-N 329.444 2.561 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C3CCCC3)nn2C)n[nH]1 121488554 GZWZQABKPDLMAD-LLVKDONJSA-N 330.436 2.862 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC[C@H](c2cc(C)n[nH]2)C1 282295669 QZVLTRWRLQPHTA-AWEZNQCLSA-N 333.457 2.896 0 50 EFAA Cc1ccccc1CN1CCC[C@H](CCNS(=O)(=O)C2CC2)C1 67688582 RRBXWZYZKFTHKF-MRXNPFEDSA-N 336.501 2.679 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2c(C)oc3ccccc23)CCO1 328639020 PIMYDKRQQRLOSS-KRWDZBQOSA-N 326.400 2.926 0 50 EFAA CS(=O)(=O)[C@@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C1 282380114 GOEYWHLYWXFCFR-CYBMUJFWSA-N 341.498 2.596 0 50 EFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1ncccc1C(=O)O 65388126 PXHYUKMUUSQVJM-GFCCVEGCSA-N 328.368 2.744 0 50 EFAA Cc1ccc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)O)CC2)nn1 65403597 SGMSGIFDSWNFAI-UHFFFAOYSA-N 347.802 2.941 0 50 EFAA CC(C)C(=O)c1cnccc1NC(=O)C[C@@H](C)N1CCCCC1=O 253393019 OIESIWGQDRVFNL-CYBMUJFWSA-N 331.416 2.650 0 50 EFAA Cn1nccc1COCC(=O)N1CCSc2ccc(Cl)cc21 253416244 HLUWJLSBRTYJTL-UHFFFAOYSA-N 337.832 2.729 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 253428788 LQSIVMWSIVRTDT-NVXWUHKLSA-N 326.400 2.870 0 50 EFAA NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 6553342 BAIVHGLCVPPEEN-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA CCCCOC(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 77406675 LDHHBBNPBXTERJ-HNNXBMFYSA-N 349.479 2.527 0 50 EFAA Cc1ccccc1CN(C)C(=O)Cn1cc(-c2ccccc2)ncc1=O 356969509 YJKCVNPZIOYXPX-UHFFFAOYSA-N 347.418 2.877 0 50 EFAA Cn1ncc2c(N[C@H]3CCc4cccnc43)nc(-c3cccnc3)nc21 72161779 LFULRHVSFSMHPE-HNNXBMFYSA-N 343.394 2.920 0 50 EFAA CCn1nc(C)c(S(=O)(=O)N2Cc3ccc(Cl)cc3C2)c1C 331570248 WAHZJZQNCTWOBW-UHFFFAOYSA-N 339.848 2.878 0 50 EFAA CC(C)(C)c1ncc(C(=O)NCc2cccnc2-n2ccnc2)s1 363655788 UUGSOEGROJTDSG-UHFFFAOYSA-N 341.440 2.951 0 50 EFAA CCN1CC[C@H](N(C)C(=O)Nc2c[nH]nc2-c2nccs2)[C@@H](C)C1 333617960 HXUXCYDKVBKMAX-AAEUAGOBSA-N 348.476 2.727 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 368855391 KKVUUSFVRJPLAZ-FUHWJXTLSA-N 334.391 2.755 0 50 EFAA Cc1cn2c(n1)CN(C[C@@H](O)COc1cccc3ccccc13)CC2 371702732 ZUNCTEAGMTVGMU-QGZVFWFLSA-N 337.423 2.600 0 50 EFAA c1ccc(Oc2cccc(CN3CC[C@@H](N4CCNCC4)C3)c2)cc1 262238395 OVBFEXYPBGMCML-LJQANCHMSA-N 337.467 2.958 0 50 EFAA COc1cc(OC)cc(C2(O)CCN(C[C@@H]3CCC=CO3)CC2)c1 373766814 WUKRCDBNVDSQAW-INIZCTEOSA-N 333.428 2.680 0 50 EFAA CCOCCN1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 77534921 VBLJQQGHHZQULE-UHFFFAOYSA-N 332.444 2.552 0 50 EFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1nccn1Cc1ccccc1 71575851 OVMDJOIHSXKKSU-FQEVSTJZSA-N 339.439 2.993 0 50 EFAA Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCCC[C@H]1CO 240555853 GXWKMFMUWCSBQQ-ZWKOTPCHSA-N 335.488 2.879 0 50 EFAA CCN1C[C@H](C)N(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C 341909581 PKALUKRACMGSBM-DYXWJJEUSA-N 345.531 2.692 0 50 EFAA CN1CC[C@@H](CNCc2ccn(C)n2)[C@H]1c1ccc(Cl)c(F)c1 240894828 IQFDQTQVCUKZAR-SUMWQHHRSA-N 336.842 2.995 0 50 EFAA CN1CCc2ncnc(Sc3nnc(-c4ccccc4F)[nH]3)c2C1 242196965 XGNFSECYAIZBAP-UHFFFAOYSA-N 342.403 2.540 0 50 EFAA C[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)Cc1ccc(C(F)F)cc1 263289843 YPCWULKPILWKTO-ZWNOBZJWSA-N 347.383 2.639 0 50 EFAA NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 174741639 KQCKHYNFLLGQEU-LBPRGKRZSA-N 330.359 2.813 0 50 EFAA COc1ccc(N2CCN(C(=O)c3ccsc3)[C@@H](C)C2=O)cc1 82138369 YLDWOVFYXUHENA-LBPRGKRZSA-N 330.409 2.634 0 50 EFAA CC[C@@H]1[C@@H](NC(=O)c2cc3ccc(OC)cc3n2C)[C@@H]2CCO[C@@H]21 220243154 GXGVHZBLCPYFLW-LTCOOKNTSA-N 328.412 2.730 0 50 EFAA CCN(CCN1CCCCCC1)C(=O)NCc1cnc2ccccn12 426442924 LZAWBUMURGQFTG-UHFFFAOYSA-N 343.475 2.742 0 50 EFAA C[C@]1(c2ccccc2)CN(C(=O)Nc2cccc(C(N)=O)c2)CCO1 178070398 AYWSIDLAOLPFOH-LJQANCHMSA-N 339.395 2.565 0 50 EFAA Cc1cn2cc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)ccc2n1 223699075 GNWHQMXPTZEBNX-CQSZACIVSA-N 325.372 2.702 0 50 EFAA COc1ccnc(CSc2nnc(CN)n2-c2ccc(F)cc2)c1 426471354 LGDXCTLZOZJMCA-UHFFFAOYSA-N 345.403 2.561 0 50 EFAA Nc1ccnc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)c1 426555774 BIKPFQWTBRUHEN-UHFFFAOYSA-N 325.412 2.756 0 50 EFAA CCOc1ccc(OCCN(C)c2cc([C@@H]3CCOC3)ncn2)cc1 426578899 ZHRBACNAMSWHFG-OAHLLOKOSA-N 343.427 2.894 0 50 EFAA c1ccc2c(c1)C[C@@H](Cc1ccc(N3CCSCC3)nn1)CO2 91305279 XFLKTKHYWZGCMA-AWEZNQCLSA-N 327.453 2.824 0 50 EFAA Cc1noc(C)c1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1 97553232 AFBAGLJWOUKDPD-UHFFFAOYSA-N 328.416 2.755 0 50 EFAA Cc1ccc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nn1 95366304 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EFAA c1cnc(-c2nc(CCNC3CSCCSC3)cs2)cn1 534666981 OFOOCERBPIOALC-UHFFFAOYSA-N 338.527 2.581 0 50 EFAA Cc1nc(NCC2(O)CCC(F)(F)CC2)cc([C@H]2CCOC2)n1 299774380 GUFQFMZWDJJOQK-LBPRGKRZSA-N 327.375 2.641 0 50 EFAA CC(C)c1csc(CCNC(=O)C[C@@H]2NC(=O)c3ccccc32)n1 299782433 VSCFYSCAAFIQSD-AWEZNQCLSA-N 343.452 2.800 0 50 EFAA Cc1cc(C(=O)NC2CCN(Cc3cccs3)CC2)nc(C)n1 825264559 VYNKFDLYHQWKBL-UHFFFAOYSA-N 330.457 2.549 0 50 EFAA COc1ccc(S(=O)(=O)N[C@H](C)Cc2cccnc2)cc1Cl 907985103 VANBLUPFOPUSTP-LLVKDONJSA-N 340.832 2.653 0 50 EFAA Cc1nccn1CC[C@H](C)N1CCN(c2ncccc2Cl)CC1 670439418 QHNGRTYKDLSEKC-AWEZNQCLSA-N 333.867 2.841 0 50 EFAA C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C3CC3)c2)CS1(=O)=O 685940235 YPSKMSCVCWERKG-GWCFXTLKSA-N 340.420 2.790 0 50 EFAA CN1CC[C@](C)(c2nc(-c3cccc(Br)c3)no2)C1=O 874435613 ZFSVSXXKQAJCHA-CQSZACIVSA-N 336.189 2.619 0 50 EFAA C[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@]2(CCNC2)O1 952884215 JUECQHUTTURAOU-BONVTDFDSA-N 329.227 2.586 0 50 EFAA O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)N1CCC[C@H]1CO 952993372 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345.443 2.793 0 50 EFAA CCc1cc(C)nc(N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)n1 1775294929 FHSWCLFSQNHIOQ-GOSISDBHSA-N 343.427 2.943 0 50 EFAA C[C@@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775992490 TVDLNSJXKNGTDJ-HOTGVXAUSA-N 336.480 2.898 0 50 EFAA O=C1CCCc2cc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)ccc21 1775986256 GGKRNFDRYKVWPA-MRXNPFEDSA-N 341.329 2.735 0 50 EFAA O=C(CCc1cccc(OC(F)F)c1)NC[C@H]1CN2CCC1CC2 1364403362 SBPQHOCOLDZPGF-HNNXBMFYSA-N 338.398 2.679 0 50 EFAA CCC1(CC)CN(C(=O)c2csc(NC(C)=O)n2)CCS1 274360090 LYZCVQBUMGQFLB-UHFFFAOYSA-N 327.475 2.849 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 275303840 HFTTVRHEEZQXFW-YVSFHVDLSA-N 343.402 2.792 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 186457737 IFUSGBXWGQEJOU-UHFFFAOYSA-N 332.360 2.720 0 50 EFAA C/C=C/C[C@H](NC(=O)c1nc(SC)n2ccccc12)C(=O)OCC 170596567 HHEPBNXNHWFENO-FUEXJSSKSA-N 347.440 2.684 0 50 EFAA O=C(OC1([C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 170632498 KXIQFSJPZLKFSW-HUUCEWRRSA-N 335.444 2.670 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)nn1C 187244520 GPSUYQFNFSGXRO-KSSFIOAISA-N 328.460 2.965 0 50 EFAA Cc1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)c2cnn(C)c2n1 408223139 SPJVBMIOVDNLKK-CWTRNNRKSA-N 344.459 2.584 0 50 EFAA C[C@H]1C[C@H](C)CC[C@@H]1NCC[C@@](O)(c1nccn1C)C(F)(F)F 221804116 BDJFHTBOKDCZKI-UKTARXLSSA-N 333.398 2.974 0 50 EFAA CNC(=O)COc1ccc(OCc2nc(C)c3ccccc3n2)cc1 193636140 JAPNDYXQNHAQBM-UHFFFAOYSA-N 337.379 2.642 0 50 EFAA Cc1nnc(SCC(=O)N(C)[C@@H](C)c2nc(C)sc2C)o1 1506397427 TWCKGZFYJGOPPF-ZETCQYMHSA-N 326.447 2.763 0 50 EFAA Cc1cc(S(=O)(=O)NCC[C@@H](C)n2ccnc2)c(Cl)cc1F 1506405905 OLRJYKNQFWLXOS-LLVKDONJSA-N 345.827 2.914 0 50 EFAA COC(=O)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 176830 KMEXXWVRSLUKCO-GDNBJRDFSA-N 325.295 2.957 0 50 EFAA CCc1nn(C)c(NC(=O)c2ccc(N3CCOCC3)c(C)c2)c1C 1529195692 NJRDDBABQGRBLE-UHFFFAOYSA-N 342.443 2.688 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(c4cnccn4)C3)C2=O)c1 12315251 NIZREOZCOHBKLJ-FQEVSTJZSA-N 336.439 2.804 0 50 EFAA CSc1cccc(NC(=O)N2CCC[C@H](N3CCOCC3)C2)c1 19744375 MZZGXJANNUXNTA-HNNXBMFYSA-N 335.473 2.737 0 50 EFAA O=C(COc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 19935058 ATBBKBHXGVCCAH-UHFFFAOYSA-N 328.387 2.549 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)c3c[nH]c(C)cc3=O)CC2)c1 119990297 USDQVQNZHDGYHI-UHFFFAOYSA-N 343.402 2.530 0 50 EFAA C[C@@H]1CCc2sc(C(=O)N[C@@H](CCO)C3CCOCC3)cc2C1 332321648 OMBUXNUTMLUJOI-DOMZBBRYSA-N 337.485 2.780 0 50 EFAA C[C@@H]1COCC[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 444256669 ASVJHTAYUHTMJB-WBVHZDCISA-N 339.439 2.556 0 50 EFAA Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CNCCCO2)c1C 333683878 PCRRZVSZMGYBFV-WMZOPIPTSA-N 331.460 2.528 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ccccc1OC(F)(F)F 237388359 CFJZBHYJUPVTBJ-DGCLKSJQSA-N 330.350 2.856 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCCN(C(=O)C2CC2)C1 242292550 YNESWNOCJOFCOT-WOSRLPQWSA-N 348.393 2.586 0 50 EFAA CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1cccs1 249172954 XRZACWPFODZLDS-ZIAGYGMSSA-N 339.505 2.686 0 50 EFAA C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@H](C)N1 154248517 GZSJESJDHPPZKS-RYUDHWBXSA-N 332.835 2.563 0 50 EFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 262126801 LXIWSELRFLLHRP-QLFBSQMISA-N 329.421 2.972 0 50 EFAA CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 267337621 PREBJUTVFLTYOK-SWLSCSKDSA-N 349.456 2.838 0 50 EFAA Cn1cc(S(=O)(=O)Nc2cccc3n[nH]cc23)c(C2CCCC2)n1 901861065 QAENFJXGTRWDGW-UHFFFAOYSA-N 345.428 2.755 0 50 EFAA CC(=O)Nc1cc(-c2nc(-c3cnn(CCF)c3)no2)ccc1C 924412289 LQGCDYYFAXWKHZ-UHFFFAOYSA-N 329.335 2.836 0 50 EFAA CN(C)CCCC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 825860292 OVWGJSLOVJWGEA-UHFFFAOYSA-N 346.454 2.560 0 50 EFAA Cc1cc(C(F)(F)C(=O)N2CC[C@@]3(CCOC3)C2)cnc1Cl 934531349 TUINWBPXWJCQDZ-CQSZACIVSA-N 330.762 2.774 0 50 EFAA O=C(NC1(c2nc[nH]n2)CCC1)c1ncc(C(F)(F)F)cc1Cl 935577284 HAYWISBDENQKBL-UHFFFAOYSA-N 345.712 2.681 0 50 EFAA CCCOc1cccnc1C(=O)N(C)Cc1c(C)nn(C)c1Cl 846024285 FEHMGMUULZVIAF-UHFFFAOYSA-N 336.823 2.838 0 50 EFAA Cn1cc(Br)cc1C(=O)N[C@@H](CCO)C1CCCCC1 151162243 SHHAJSOKXQSPSY-ZDUSSCGKSA-N 343.265 2.849 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2ccc3ncccc3c2)CC[C@@H]1O 2100537425 NCROEIHRXBJKNQ-AZUAARDMSA-N 340.423 2.673 0 50 EFAA O=C(N1CCC=C(c2ccccc2)C1)C1(N2CCOCC2)CCCC1 2325721567 ITERIVGTPGJECW-UHFFFAOYSA-N 340.467 2.947 0 50 EFAA Cn1nc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c(Cl)c1Cl 2325767699 BSPXMPCSPDQVBH-YFKPBYRVSA-N 348.215 2.682 0 50 EFAA O=C(O)c1ncoc1[C@H]1CCCN(C(=O)c2cccc3cccn23)C1 2325792370 XBVNYEKNCOEMAE-LBPRGKRZSA-N 339.351 2.645 0 50 EFAA Cc1nc([C@H](C)NC(=O)c2cc(-c3ccc(O)cc3)[nH]n2)[nH]c1C 2325859572 BMULZOCIYMBKSO-NSHDSACASA-N 325.372 2.613 0 50 EFAA C[C@H](NC(=O)c1ccnc2[nH]c(O)nc12)c1cccc2cccnc12 2325870728 MLSBGHJVPAQKEI-JTQLQIEISA-N 333.351 2.703 0 50 EFAA O=C(Nc1ccc(C2CCC2)cc1)N1CCOC[C@@H]1c1nc[nH]n1 225483568 SDIFJOZDUKIHQY-OAHLLOKOSA-N 327.388 2.678 0 50 EFAA COc1cc2c(cc1CN[C@H](c1nccn1C)C1CC1)O[C@H](C)C2 127560697 JMVJGYOMEVMVES-XIKOKIGWSA-N 327.428 2.993 0 50 EFAA COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 44441 PUIAZCRMTXMTFO-UHFFFAOYSA-N 329.352 2.656 0 50 EFAA COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC2CC2)c1 139909 DQLFPSXHCPPQHV-UHFFFAOYSA-N 325.364 2.584 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 208176 AIJDKOJQGGGQKD-UHFFFAOYSA-N 329.381 2.540 0 50 EFAA O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1 467769 SRPGWLMHFSPQIT-UHFFFAOYSA-N 334.759 2.658 0 50 EFAA COc1ccc(OC)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1 3127863 CUXCCFIGJAVROM-LJQANCHMSA-N 329.396 2.956 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)c2cc(OC)ncc2F)cn1 414252688 SSDJJXMDYYBCSG-FHSNZYRGSA-N 348.422 2.874 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 8247153 YNDPYUUQGVQSAT-NSHDSACASA-N 345.786 2.735 0 50 EFAA CCOCC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1 225530192 SAJCFSUEMFGLOG-MSOLQXFVSA-N 333.428 2.603 0 50 EFAA Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 8569846 CAKNGNQGCRKFOY-INIZCTEOSA-N 338.436 2.965 0 50 EFAA O=C(c1cccnc1)N1CCN(Cc2ccc(F)cc2Cl)CC1 20472641 ZCIRLLAVUNJTOU-UHFFFAOYSA-N 333.794 2.832 0 50 EFAA C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57291800 BADCTCWZSZYNLQ-MAUKXSAKSA-N 333.451 2.643 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nccs1 25695232 IJHIPXOSVHYOIA-UHFFFAOYSA-N 336.413 2.504 0 50 EFAA Cc1ncc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)c(C)n1 67674031 ASMACTKYXPYBOV-QGZVFWFLSA-N 338.455 2.654 0 50 EFAA O=S(=O)(NCCc1cc2ccccc2o1)c1ccc2c(c1)CCO2 151400019 RSGTYRNECUPEIC-UHFFFAOYSA-N 343.404 2.889 0 50 EFAA Cc1c(CNC(=O)CCN2c3ccccc3CC[C@@H]2C)cnn1C 119004329 NKWMBLSHABMSFO-AWEZNQCLSA-N 326.444 2.576 0 50 EFAA Cc1ccc(S(=O)(=O)C[C@H](c2ccccc2)N2CCOCC2)cc1 20058320 IBVDEYCKBGNESF-LJQANCHMSA-N 345.464 2.842 0 50 EFAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccco1 12713469 WTZIGFRKMVNQRD-AWEZNQCLSA-N 332.787 2.506 0 50 EFAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 229738358 KDOSWDNNUHRXCC-VWYCJHECSA-N 345.369 2.647 0 50 EFAA Cc1c(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cnn1-c1ccccc1 152062287 IXVCHHFQTGPGFJ-UHFFFAOYSA-N 347.378 2.613 0 50 EFAA CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)CCn1c(=O)oc2ccccc21 230139366 ZLMLEKFZAAPSPM-CSMYWGQOSA-N 345.395 2.731 0 50 EFAA C[C@H](NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1)c1nncn1C 230201151 OFFYQCVZHVKPCR-GMBSWORKSA-N 339.443 2.987 0 50 EFAA C[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)N(C)C 356243449 BYGFKCANHSKXBA-XOBRGWDASA-N 336.439 2.913 0 50 EFAA O=C(Cn1cnc2ccccc21)N(C[C@H]1CCCO1)C1CCCC1 359593196 JZXJCUZHYAGXMK-MRXNPFEDSA-N 327.428 2.987 0 50 EFAA O=C(NCCCCN1CCCC1)c1ccc([C@@H]2CCCNC2)cc1 214982992 NDEIZQSBYQWFSN-LJQANCHMSA-N 329.488 2.759 0 50 EFAA Nc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)ccn1 77344114 HZGLRWNMIGMGIG-INIZCTEOSA-N 325.412 2.997 0 50 EFAA CCN1C[C@H](C)N(C(=O)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 328593422 BADAAQPRCMBSHJ-OKILXGFUSA-N 344.484 2.689 0 50 EFAA Cc1cncc(/C=C/C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)c1 328593531 FJEQVXPKPBDHLQ-SNAWJCMRSA-N 339.443 2.529 0 50 EFAA Cc1nn(C)cc1C(=O)Nc1nn(C)c2cccc(OC(C)C)c12 77408257 KFGKSUXKBOTPGK-UHFFFAOYSA-N 327.388 2.655 0 50 EFAA 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O=C1CC[C@H](C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)N1 189553338 PCJIQIXEVMFFPO-CQSZACIVSA-N 338.810 2.686 0 50 EFAA Cc1nscc1C(=O)N1C[C@H](c2ccccc2)C[C@@H](C(=O)O)C1 191193454 AJZRFAFEFQTZTO-ZIAGYGMSSA-N 330.409 2.782 0 50 EFAA CO[C@]1(c2nnc(CN3CCCc4ccc(F)c(C)c43)o2)CCOC1 644279069 QEJDVGGEUVQFNX-GOSISDBHSA-N 347.390 2.732 0 50 EFAA CCc1c(NC(=O)[C@H](C)n2cncn2)cnn1-c1cccc(Cl)c1 192128537 SYKZZFVOLVPBAY-NSHDSACASA-N 344.806 2.879 0 50 EFAA CO[C@@H](C)CS(=O)(=O)NCc1ccc(OC2CCCCC2)cc1 195201143 WBUBTJPLRCDQKT-AWEZNQCLSA-N 341.473 2.852 0 50 EFAA CN1CCC[C@@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 195531999 JLPJSNZCSGRQRN-RBUKOAKNSA-N 345.487 2.577 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@@H](O)c2cccc(F)c2)C1 762639151 GSQNAVZAISXVPH-FUHWJXTLSA-N 334.391 2.755 0 50 EFAA CCCCC1CCC(C(=O)N2CCSC[C@H]2c2nn[nH]n2)CC1 776563842 LPPAFYRGQSFMPW-RUXDESIVSA-N 337.493 2.813 0 50 EFAA COCCSc1nnc(NC(=O)c2cccc(C)c2F)s1 1529181827 WTXKADWKIAZWNM-UHFFFAOYSA-N 327.406 2.976 0 50 EFAA CN(CC1(N2CCCCC2)CCCCC1)c1cncc(C(=O)O)n1 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2.544 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCc2c1c(C)nn2C 1857688340 DTBLANQMEAUSIE-HNNXBMFYSA-N 343.475 2.951 0 50 EFAA COCCCn1cnnc1CNC(=O)c1c(C)sc2ccccc12 1857715111 BXLZGFXMVBTQPK-UHFFFAOYSA-N 344.440 2.768 0 50 EFAA C[C@@H](C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 408524040 XAHCWEICYIZBDZ-ZWNOBZJWSA-N 339.233 2.870 0 50 EFAA Cc1ccsc1-c1nsc(NC(=O)NC[C@H]2CC[C@@H](O)C2)n1 225595895 GENMRVXPUMASQC-VHSXEESVSA-N 338.458 2.858 0 50 EFAA O=C(CSCc1noc(C2CCOCC2)n1)Nc1ccccc1 225690903 YAWUPFUYGFRHDV-UHFFFAOYSA-N 333.413 2.836 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N1CC[C@H](Oc2ccccc2Cl)C1 120403290 AEDJPFGWSFPKEF-LBPRGKRZSA-N 342.786 2.905 0 50 EFAA CC(C)[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Cl)cc1F 120506490 YCUXNHHFDZOHLC-ZIAGYGMSSA-N 341.814 2.706 0 50 EFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)Cc1noc2ccccc12 326454072 DXBKEXRJGYOSFQ-SFHVURJKSA-N 336.347 2.581 0 50 EFAA Cc1ccc(Cl)c(NC(=O)CCCS(=O)(=O)N2CCCC2)c1 124692683 PIPVCZUJYRIVCH-UHFFFAOYSA-N 344.864 2.793 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1C 337152145 MCUGCCABCROBTL-USXIJHARSA-N 337.847 2.959 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)no1 456645184 ISJRYQSIQGKKDY-NSHDSACASA-N 333.354 2.754 0 50 EFAA COc1ccccc1NC(=O)CN1CCN(C[C@@H](C)CC(C)C)CC1 252508436 XNITWOOFVSSPQA-KRWDZBQOSA-N 347.503 2.934 0 50 EFAA C[C@@H]1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1 19792105 FDLNQLMGCVOTAT-GFCCVEGCSA-N 332.473 2.560 0 50 EFAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(C(=O)c2ccccc2)CC1 266009579 IUPBZEXBGWNWID-WBAXXEDZSA-N 326.440 2.844 0 50 EFAA COc1ccc2c(c1)CC[C@@H](c1nc(CC3CCNCC3)no1)C2 904073930 XQKKKBMKGAUZHB-MRXNPFEDSA-N 327.428 2.893 0 50 EFAA CCc1cccnc1C(=O)N1CCOC[C@H]1c1ccc(COC)o1 906231436 WVIXRHCWUQZIBU-HNNXBMFYSA-N 330.384 2.597 0 50 EFAA O=C(N[C@H](C(=O)O)C1CCCCC1)c1ccc(-c2cc[nH]n2)s1 910088525 HRDWLXJRRKDRLQ-AWEZNQCLSA-N 333.413 2.902 0 50 EFAA Cc1ccc(C2CCN(C(=O)Cn3nc(C)c4cccnc43)CC2)cn1 935334566 IBYZDLDWNPCAPM-UHFFFAOYSA-N 349.438 2.849 0 50 EFAA O=C(CSc1nc2ccccc2o1)Nc1nonc1-n1cccc1 1421469 XUMRLPOPBATHGO-UHFFFAOYSA-N 341.352 2.732 0 50 EFAA COc1cc(OC)c([C@@H](C)NCC23CC(CO)(CO2)C3)cc1Cl 2325765182 ZZJIYVCNZKVBMA-LBWKMTJJSA-N 341.835 2.549 0 50 EFAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCC1 274545 MRNAAEZIRCHUJF-UHFFFAOYSA-N 344.436 2.504 0 50 EFAA CCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1C(N)=O 434032 PXMPPGTTWDYCAZ-UHFFFAOYSA-N 348.424 2.987 0 50 EFAA CCc1cc(I)ccc1NC(=S)NC(C)=O 557873 AVNAJRKCUCHAGP-UHFFFAOYSA-N 348.209 2.687 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-n2ccnn2)cc1 133759054 HAPYMHFGFKWVNE-INIZCTEOSA-N 336.399 2.585 0 50 EFAA COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(C)=O 2544916 SBWGJVPHWINFOZ-UHFFFAOYSA-N 325.320 2.868 0 50 EFAA CCOC(=O)CC(=O)CSc1nc(C)c2cc(OCC)ccc2n1 2950835 NHSYBLNUXNFULS-UHFFFAOYSA-N 348.424 2.951 0 50 EFAA O=C(c1cccnc1)n1nc(-c2cccnc2)nc1NCc1ccco1 4811017 OLRBGEJLKJMPJI-UHFFFAOYSA-N 346.350 2.629 0 50 EFAA Cc1ccc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)cc1 4814582 UVMSDYHCEPNCMQ-UHFFFAOYSA-N 329.421 2.748 0 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Cc1nc2ccccc2n1CCC(=O)N1CCC2(CCCO2)CC1 71738609 BBRLGFVHUDRCPS-UHFFFAOYSA-N 327.428 2.906 0 50 EFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC(c2ccncc2)C1 72146141 JIIBWMYIYMPCRN-UHFFFAOYSA-N 331.379 2.855 0 50 EFAA CC1(C)CN(C(=O)Cc2noc3ccc(F)cc23)[C@@H]1[C@@H]1CCCO1 333329968 ODDXTJGIDNLBLW-DOTOQJQBSA-N 332.375 2.925 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](Cc2cnn(C)c2)C1 363305269 AVXAWWYJEDNZNP-CQSZACIVSA-N 346.862 2.885 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cn(-c2ccc(Cl)cc2)nc1C 237271499 WVUUQKBYVVHOLJ-OAHLLOKOSA-N 332.835 2.658 0 50 EFAA Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NC2CCC3(CC2)CC3)CCO1 333636087 IAZBWNFKDOTVDN-GJZGRUSLSA-N 332.448 2.662 0 50 EFAA O=C(CC[C@H]1CCNC1)Nc1ccc(OCc2ccncc2)cc1 261875370 RDNYNVJNLDPNSX-HNNXBMFYSA-N 325.412 2.989 0 50 EFAA CN(C)C(=O)N[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 449746137 QHAAMNHDDVZIOC-HNNXBMFYSA-N 328.416 2.577 0 50 EFAA c1ccc(-c2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)co2)cc1 72477663 RRJVUTKPPRUZPO-UHFFFAOYSA-N 346.394 2.553 0 50 EFAA FC(F)(F)CCc1ccnc(NCc2nnnn2-c2ccccc2)n1 71764969 IBQOPNOTJHISND-UHFFFAOYSA-N 349.320 2.559 0 50 EFAA CCn1nc(C)c(CNC(=O)Cc2ccc3[nH]c(C)nc3c2)c1C 71747445 BYFHUPPPKASPDA-UHFFFAOYSA-N 325.416 2.563 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@@H](C(=O)O)c2ccc(F)cc2)s1 262793493 BZIDGXTYIIRULY-GFCCVEGCSA-N 336.388 2.751 0 50 EFAA C[C@H](Cc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1)C(=O)O 262793056 NKXOMNAMVCWTIN-GFCCVEGCSA-N 341.363 2.860 0 50 EFAA CC(C)(C)CN1CC[C@@H](C2CCN(c3ncnc4[nH]cnc34)CC2)C1 72161795 GMTBCLOYQMNXJN-OAHLLOKOSA-N 342.491 2.937 0 50 EFAA CCn1ccnc1CN1CCN(c2ncnc3ccsc23)C[C@H]1C 242048139 VTEZIKJNIYGWRC-CYBMUJFWSA-N 342.472 2.618 0 50 EFAA CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1C[C@H]1C 245895838 DOEHPZRYIHSTJY-JHJVBQTASA-N 341.498 2.876 0 50 EFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1CN(Cc2ccccc2)CCO1 242339372 ZHHJOCMOABWWCP-VNTMZGSJSA-N 342.483 2.830 0 50 EFAA C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F 132163968 ODUSMZGFXMYCJF-ONGXEEELSA-N 335.297 2.768 0 50 EFAA O=c1ccc(-c2ccccc2)nn1CCn1ccnc1-c1ccncc1 71747964 LDRAMRMYOOECGE-UHFFFAOYSA-N 343.390 2.869 0 50 EFAA C/C=C/CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72409351 NUPGWTOMCWRPRA-NUALSEBGSA-N 341.455 2.779 0 50 EFAA CCc1c(C)sc(NC(=S)NC[C@H]2CCCO2)c1C(=O)OC 17071589 SURAKODARRZFMT-SNVBAGLBSA-N 342.486 2.871 0 50 EFAA CC[C@H](C)N1CC(=O)N(c2ccc3oc(C(=O)OC)cc3c2)C1=O 286295703 MQAJLMKNTNSNOX-JTQLQIEISA-N 330.340 2.787 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286354813 PFQAGZBKNFCIAC-DFKRKDTASA-N 345.773 2.620 0 50 EFAA Cc1ccnc2ccc(C(=O)NC3CCN(c4cccnn4)CC3)cc12 286504641 NTIFWALIYHEUAX-UHFFFAOYSA-N 347.422 2.732 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)NC(C)(C)Cc1ccc(O)cc1 426597262 QBDOSHXQWJUOEN-UHFFFAOYSA-N 343.427 2.575 0 50 EFAA C[C@@H](CCn1cccn1)N1CCC2(CC1)Nc1ccccc1NC2=O 82092101 DMRDCKDWIGJSBY-HNNXBMFYSA-N 339.443 2.561 0 50 EFAA CN(Cc1ccc2ncccc2c1)C(=O)Cc1cccc(OCCN)c1 426571843 VPYOSDCDPDBNKX-UHFFFAOYSA-N 349.434 2.773 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 178269824 HRMVWGUHZVJEKM-SSDOTTSWSA-N 326.761 2.603 0 50 EFAA COc1ccc(CNC(=O)N2CCCC[C@H]2CN2CCCC2)cc1 426593910 YRYCGCPEARBJGR-KRWDZBQOSA-N 331.460 2.855 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cccc(N)n2)cc1 426596475 JNHYDTJXBFOMJR-INIZCTEOSA-N 325.412 2.972 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)NC3(C(=O)O)CCOCC3)c2c1 95511127 PSWSGABYFAUPKZ-UHFFFAOYSA-N 342.395 2.524 0 50 EFAA Cc1cncc(NCc2c(C(C)C)nn(C)c2N2CCOCC2)c1 178818042 HRIKXYXKEDWIKA-UHFFFAOYSA-N 329.448 2.696 0 50 EFAA COc1ccc(Cn2cc([C@@H](C(=O)O)N3CCCCCC3)cn2)cc1 95361203 SAMSMFBQPNUOAF-SFHVURJKSA-N 343.427 2.942 0 50 EFAA O=C(c1ncc(F)cc1F)N1CCC[C@@H](OCc2cccnc2)C1 91943611 NNYNEDMYDHRABB-CQSZACIVSA-N 333.338 2.576 0 50 EFAA CCc1noc([C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)n1 91547521 AQBUVMLIALLKMR-CQSZACIVSA-N 329.400 2.589 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]c2=O)c1 91876697 SIMDFEBMFCQPDZ-MRXNPFEDSA-N 339.395 2.633 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1cccnc1 91997164 WXUQEJUQIGOPIX-GOSISDBHSA-N 348.406 2.545 0 50 EFAA COc1cccc(OC2CN(C(=O)COCc3ccccc3)C2)c1 91966307 UBGZCGSVAWKCDL-UHFFFAOYSA-N 327.380 2.502 0 50 EFAA Cc1cc(C)c2c(NCC3(N4CCOCC4)CCCC3)ncnc2n1 95361567 ULFBKJRBLFAHOE-UHFFFAOYSA-N 341.459 2.699 0 50 EFAA CC[C@]1(C(=O)O)CCCN(C(=O)CSc2cccc(OC)c2)C1 244866669 WAJVDGJAKHNTBP-KRWDZBQOSA-N 337.441 2.891 0 50 EFAA O=C(OC[C@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 247523885 YPAWNTYHOKFGPC-KURKYZTESA-N 343.423 2.607 0 50 EFAA COC[C@H](c1ccccn1)N(C)Cc1cc(C(N)=O)oc1C(C)(C)C 252482306 DCSRXHWMMJVOMY-OAHLLOKOSA-N 345.443 2.891 0 50 EFAA CCC[C@H](CC)NC(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1 534634155 AGTMYIGVBLPSGI-INIZCTEOSA-N 347.459 2.628 0 50 EFAA CNc1ncc(CN(C)C(=O)Nc2ccccc2OC(C)C)cn1 299756196 DLUXTBHFUNTYEE-UHFFFAOYSA-N 329.404 2.969 0 50 EFAA NC(=O)c1ccc(NC(=O)NCCCC[C@H]2CCCO2)cc1Cl 299792988 IFHBOBCZFWFSTQ-LBPRGKRZSA-N 339.823 2.910 0 50 EFAA CNC(=O)c1ccc(CNC(=O)Nc2c(C)cnn2C2CCCC2)o1 299781649 RLICVTSYGGDMMY-UHFFFAOYSA-N 345.403 2.581 0 50 EFAA CC(C)[C@H](CNC(=O)c1cc(O)c2cccc(F)c2n1)N1CCCC1 670441788 XEYVVTZKKZANMJ-INIZCTEOSA-N 345.418 2.930 0 50 EFAA CCCCN(C)C[C@@H](C)N=c1nc(-c2ncccn2)[nH]c(C)c1C 1875327975 RZYAWPLTDAKGDB-CYBMUJFWSA-N 328.464 2.505 0 50 EFAA CC(C)(O)c1cn(C[C@@H]2CCC[C@@H]2NC(=O)C=C2CCCCC2)nn1 952889706 KROKDVJMMKAZTA-HOTGVXAUSA-N 346.475 2.681 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)c2cc(C(C)C)nc(N)n2)c1 952866511 AIZQPSLLTSQOKL-MRXNPFEDSA-N 326.400 2.778 0 50 EFAA O=C(CCc1cn[nH]c1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 952873213 XEWCDRJCAXUQNZ-UHFFFAOYSA-N 335.411 2.719 0 50 EFAA Cc1c(NC(=O)c2cnc(C3CC3)nc2)cccc1-c1nncn1C 952968697 CVSUAVWSBADVJE-UHFFFAOYSA-N 334.383 2.710 0 50 EFAA OCCN(Cc1cnc(N2CCCCC2)nc1)Cc1cccs1 952984592 XCDMCWWPMKISHZ-UHFFFAOYSA-N 332.473 2.523 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)c2ccnc(N)c2)cc1OC 1771856806 WWCQVWATPCPNSI-CQSZACIVSA-N 327.384 2.658 0 50 EFAA Cc1cc(C(=O)N2CC(C)(C)CC[C@@H]2CNC(=O)[C@H]2CC2(C)C)n[nH]1 991037541 ZOKDNBIHKGWTJW-ZIAGYGMSSA-N 346.475 2.511 0 50 EFAA CSC[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275500613 ANNHSCRHTJVRAO-RDJZCZTQSA-N 335.517 2.894 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2csc3c2CCCC3)o1 275521219 YAQSJUXNLWHWPG-CYBMUJFWSA-N 333.413 2.532 0 50 EFAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 275734791 UXFAQUHXPAKHQF-NSHDSACASA-N 335.791 2.688 0 50 EFAA COc1ccnc(N2CCN(c3ncc(C(F)(F)F)s3)CC2)c1 276972301 YASNRTGNOIZDTM-UHFFFAOYSA-N 344.362 2.892 0 50 EFAA CC(C)[C@H](O)CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 170058583 CEMJLGJKJHRHEI-LSDHHAIUSA-N 328.416 2.542 0 50 EFAA Cc1cc(C)c2c(c1)CN([C@@H]1CCCN(c3cnn(C)c3)C1=O)CC2 186727493 YLBMPJBOZLCRPM-LJQANCHMSA-N 338.455 2.591 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 170672800 ZFEDABPVVCEKJH-KRWDZBQOSA-N 330.409 2.676 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N[C@H]2CCCC[C@@H]2O)c2c1CCC2 187377752 GPORGTFMYYBUDU-YJBOKZPZSA-N 339.439 2.703 0 50 EFAA Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](c2nnc(N)o2)C1 639825507 WKLUDDGUZCJAAP-CQSZACIVSA-N 339.399 2.995 0 50 EFAA O=C(NC[C@H](O)c1ccsc1)c1cnc(-c2ccccc2)nc1 304248463 AWNKRRHGJBQLGC-HNNXBMFYSA-N 325.393 2.669 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)N1CCOC[C@@H](C2CCC2)C1 408121894 SCFONNOXMJBLFU-NSHDSACASA-N 326.799 2.950 0 50 EFAA C[C@H](Nc1cccc(NC(=O)CO)c1)c1nc(-c2ccccc2)no1 305150145 OJEODUWXYRVZBW-LBPRGKRZSA-N 338.367 2.841 0 50 EFAA CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC3(CCN(C)CC3)C2)c1 408517717 NFPNNQCKWLFXKX-INIZCTEOSA-N 344.455 2.601 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(Br)s1 222621397 UHJDQJVKLCQUMM-ZJUUUORDSA-N 329.263 2.867 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccnnc1 191273717 QDRXZMGQZJLVNJ-LBPRGKRZSA-N 337.210 2.792 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)Nc2cnns2)c(OC)c1 192334394 ZXGDXPZRJWFPMQ-LBPRGKRZSA-N 334.401 2.924 0 50 EFAA CN1CCN(c2ccc(NC(=O)c3cccc4c3CCC4)cn2)CC1 194368643 PMFQFCNXVKUSMP-UHFFFAOYSA-N 336.439 2.574 0 50 EFAA CCC[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1cc(F)ccc1OC 195529690 XDYHAFNXTDMSAN-IBILFNBTSA-N 329.437 2.776 0 50 EFAA CC(C)(N)c1cc(C(=O)NCc2c(F)cccc2OC(F)F)on1 662649892 XYPUYNFAHUKQBE-UHFFFAOYSA-N 343.305 2.539 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccc(F)cc1F 776658740 LEKZCFKSYONJMO-ZBFHGGJFSA-N 331.318 2.937 0 50 EFAA CC(C)Oc1ccc(Cl)cc1CNS(=O)(=O)N1CCCCC1 1506418598 SVIIUOKZJARLPX-UHFFFAOYSA-N 346.880 2.948 0 50 EFAA O=C(c1cncc(NCc2ccccc2-n2ccnc2)n1)N1CCCC1 1506415370 XPDGLENOUDKHJI-UHFFFAOYSA-N 348.410 2.510 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 225950065 SEVKRMBSFIIREU-SNVBAGLBSA-N 332.581 2.792 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccc3ncccc3c2)CC12CCOCC2 1800410857 CIJPQVUBJHGBND-MRXNPFEDSA-N 326.396 2.548 0 50 EFAA C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccccc1 11903495 OFHHSKSQFGJJFM-LLVKDONJSA-N 329.425 2.768 0 50 EFAA Cc1cc2c(cc1C)[n+](C[C@H](O)COCc1ccccc1)cn2C 13154268 PQUKQFYAORHKTG-SFHVURJKSA-N 325.432 2.660 0 50 EFAA COC[C@H](C)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 15074912 CLTLTNVHHLFLQF-AWEZNQCLSA-N 334.464 2.684 0 50 EFAA Cc1cnc(N2CCC(c3ccncc3)CC2)nc1-c1ccnn1C 19739839 OIXWVKNRGBJAAA-UHFFFAOYSA-N 334.427 2.965 0 50 EFAA Cc1cc(-c2nc([C@H](C)O)nn2CC(F)(F)F)n(C(C)(C)C)n1 1857675779 FEMCQEKPVMIZKW-VIFPVBQESA-N 331.342 2.821 0 50 EFAA Cc1ccc2ncnc(N3CCN(c4ccc(F)cn4)[C@@H](C)C3)c2n1 1857695547 OBTAYDCHBZOJLJ-ZDUSSCGKSA-N 338.390 2.582 0 50 EFAA Cc1nc(-c2nccn2Cc2csc(-c3ncccn3)n2)cn1C 1857735734 ILVDOFQPCVXSKA-UHFFFAOYSA-N 337.412 2.554 0 50 EFAA CC(C)(CNC(=O)NCc1nc(C(F)F)no1)c1ccc(F)cc1 916643592 OCHBLVQNEXJGCJ-UHFFFAOYSA-N 342.321 2.923 0 50 EFAA Cc1c(Cl)c(CN2CCC(NC(=O)c3ccccc3)CC2)nn1C 421329949 PEVKDMVOBRIQEE-UHFFFAOYSA-N 346.862 2.776 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)CCc1c(C)noc1C 237753114 ZDSUHJWJLZPNFP-UHFFFAOYSA-N 332.356 2.635 0 50 EFAA C[C@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1NS(C)(=O)=O 353821605 OIKFAPPXXHBPHB-LRDDRELGSA-N 344.436 2.575 0 50 EFAA COC1(C(=O)N(C)c2ccc(Br)cc2F)CCOCC1 252481566 COFFRZHOHYBILL-UHFFFAOYSA-N 346.196 2.747 0 50 EFAA CCOc1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2N)cc1OCC 253415279 MPIMYZUDUBYODM-NSHDSACASA-N 346.431 2.599 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)nnn1CC1CCCC1 365530883 AQTLLWFSCWWJNH-OAHLLOKOSA-N 342.447 2.520 0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NC[C@@H](c2ccccc2)C2CC2)C1 263120346 CGJRTCQCBIPGRA-XYPHTWIQSA-N 330.428 2.932 0 50 EFAA Cc1cc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n(C)n1 163473312 RAXAEWBKAWZNIO-IBGZPJMESA-N 326.444 2.513 0 50 EFAA C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC(=O)N1CCC1 266225844 GRRNVYVLFVWTHW-SECBINFHSA-N 336.240 2.702 0 50 EFAA Cc1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)cc1-c1ncco1 164680978 MYYRYKBSHIQYOW-AWEZNQCLSA-N 336.413 2.961 0 50 EFAA COc1nccc(-c2noc(CN(C)C(C)C)n2)c1Br 904211211 HTUGZSCRWXLYDS-UHFFFAOYSA-N 341.209 2.743 0 50 EFAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1 905124708 FCXPHPRMTLSEBY-SGJUXQJHSA-N 342.395 2.554 0 50 EFAA CC(C)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1 832396574 LGTGDMNQLDBWNV-OAHLLOKOSA-N 333.428 2.974 0 50 EFAA COc1cnc(NC(=O)NCC[C@@H]2OCCc3ccccc32)s1 931283365 AGURAIZXZITKHJ-ZDUSSCGKSA-N 333.413 2.977 0 50 EFAA Brc1ccc2c(c1)CN(Cc1cnn[nH]1)CC1(CCC1)O2 932128264 FUSFGKVQSSWXGZ-UHFFFAOYSA-N 349.232 2.885 0 50 EFAA CC(C)(C)N1CC[C@@H](N[C@H](CO)c2ccccc2C(F)(F)F)C1=O 933243337 PDYQBCVZVVQXNY-ZIAGYGMSSA-N 344.377 2.728 0 50 EFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC(n2cnnc2O)CC1 935750064 RINQWHZIESUMJT-UHFFFAOYSA-N 340.305 2.538 0 50 EFAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cc2c(o1)CCCC2 2325785587 FLBJCTUQKWCSNJ-CSMYWGQOSA-N 349.862 2.938 0 50 EFAA COC(=O)c1cn2c(CN3CC(c4ccc(F)cc4)C3)cnc2s1 2325798574 BQBKALUIHHQAOQ-UHFFFAOYSA-N 345.399 2.921 0 50 EFAA Cn1nc(-c2cnn(Cc3ccccc3)c2)nc1C1C[C@@H]2COC[C@H]2C1 2325849730 YZPXVUFICVDYJG-IAGOWNOFSA-N 349.438 2.867 0 50 EFAA O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 245344177 XXWCEVFUUALOIO-WDYCEAGBSA-N 338.455 2.794 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 79003 UEHXTABAFNQAJO-UHFFFAOYSA-N 328.755 2.965 0 50 EFAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)c2ccccc12 851096 LIYXHTWBPLLFKI-LLVKDONJSA-N 325.817 2.951 0 50 EFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1ccc2c(c1)OCCO2 2356149652 OBAVMKTTZRZWIP-HXUWFJFHSA-N 342.439 2.577 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1O 2356155840 OQDFRHNSUVYTAG-QFBILLFUSA-N 343.427 2.514 0 50 EFAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccc(O)cc3)n21 2356156258 YZAAOIZUAAOWAL-CYBMUJFWSA-N 334.379 2.754 0 50 EFAA Cc1c(NC(=O)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 4179970 VKPRBHGKQUWAGL-UHFFFAOYSA-N 339.370 2.805 0 50 EFAA Cc1cc(C)c2c(C(=O)NCCc3nnc(N)s3)cc(C)nc2c1 55326523 BVJSBWLHVPQUIQ-UHFFFAOYSA-N 341.440 2.566 0 50 EFAA CCN(C(C)=O)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 55281498 GRGRICQYQIQXJS-QGZVFWFLSA-N 330.407 2.659 0 50 EFAA Cc1nonc1OCCNC(=O)c1cccc(-c2ccc(O)cc2)c1 55342593 SOGCAGVQUMDPDL-UHFFFAOYSA-N 339.351 2.559 0 50 EFAA COC[C@H]1CCCN(C(=O)c2ccc(NCc3cccnc3)nc2)C1 20541968 IXWGANLRTNNXML-INIZCTEOSA-N 340.427 2.587 0 50 EFAA COc1ccc2nc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)sc2c1 102362178 PZMGEQRKYWHISX-WBRVRECLSA-N 346.408 2.990 0 50 EFAA COc1cccc(OC)c1CNC(=O)[C@@H](C)n1cnc2ccccc21 65369790 INVOBOOAYWHPPO-CYBMUJFWSA-N 339.395 2.931 0 50 EFAA COc1ccc(CN[C@@H](C)C(=O)Nc2nccs2)c(F)c1F 65409244 CQAPAYZYSKQJQD-QMMMGPOBSA-N 327.356 2.547 0 50 EFAA CC(=O)Nc1cccc(C(=O)NCC[C@H]2CCCN(C(C)C)C2)c1 67805205 WZUWTJHPDAWUCV-MRXNPFEDSA-N 331.460 2.885 0 50 EFAA Cc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)o1 170624722 CDEOUFJDOCHYDS-JTQLQIEISA-N 338.363 2.656 0 50 EFAA O=C(CCC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 77285962 AATKVHLDCNEZBO-AWEZNQCLSA-N 329.375 2.918 0 50 EFAA COc1cccc([C@H]2CC(=O)NCc3nc4ccccn4c32)c1OC 65431086 QGMZVEROWHJHTR-CYBMUJFWSA-N 337.379 2.503 0 50 EFAA CC[C@]1(O)CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67489826 VBJYOUKIUSYDCU-SFHVURJKSA-N 347.390 2.505 0 50 EFAA COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)c3ccccc32)cc1 229744121 NTDGWEJTVJWVPL-GDBMZVCRSA-N 341.407 2.837 0 50 EFAA CCSc1nnc(C)n1NC(=O)c1cc(-c2ccccc2)on1 2793153 VJZKCVCVJIKTAC-UHFFFAOYSA-N 329.385 2.737 0 50 EFAA Cc1noc(C)c1CNc1nc(-c2ccncc2)nc2c1cnn2C 72424597 MFVYHMDFFPAKOX-UHFFFAOYSA-N 335.371 2.642 0 50 EFAA COc1cc2c(cc1CN(C)[C@H](C)Cc1cnccn1)OCCCO2 216235170 SNNJRQNMKFYYCW-CQSZACIVSA-N 343.427 2.710 0 50 EFAA Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 172907779 WVGOAJLPVIZYIB-QGZVFWFLSA-N 349.434 2.832 0 50 EFAA COC(=O)c1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)o1 367058918 ZFVOLZRNAVBELF-AWEZNQCLSA-N 343.427 2.979 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCNC[C@H]1c1ccccc1Cl 261635026 BEYUKWKKVNTVEF-HNNXBMFYSA-N 331.803 2.536 0 50 EFAA O=C(COCc1ccccc1)N1CCC[C@](CO)(c2ccccc2)C1 367314658 IUAKELZTIQKBCR-NRFANRHFSA-N 339.435 2.756 0 50 EFAA F[C@H]1C[C@@H](CNCc2ccc3occc3c2)N(Cc2cncnc2)C1 367573920 IQXSWNITRVGNBI-ROUUACIJSA-N 340.402 2.925 0 50 EFAA CCCC[C@@H](C(=O)OC)N1CCC2(CC1)Nc1ccccc1NC2=O 77297735 ANUQNAACTBQFHM-INIZCTEOSA-N 345.443 2.617 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 156209876 HJGUVLNUSQHDGR-PJQXDXOGSA-N 326.400 2.634 0 50 EFAA CO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccc(F)cc1 173667284 FYTJNZSRSOUEOD-RHSMWYFYSA-N 346.406 2.826 0 50 EFAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1oc(CC(C)C)nc1C 330576557 QMNOJKRMZDPWGP-CQSZACIVSA-N 335.448 2.702 0 50 EFAA O=C(CC1OCCCO1)N1CCC(c2noc3cc(F)ccc23)CC1 378027520 QSYRZDGOENWTRI-UHFFFAOYSA-N 348.374 2.826 0 50 EFAA C[C@H](O)[C@@H]1CCN(C(=O)NCCCO[C@H]2CCCc3ccccc32)C1 239672661 BUNPMQOFPQPQNG-WDYCEAGBSA-N 346.471 2.883 0 50 EFAA NC(=O)c1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72434610 UHEMFNZJCHQCOK-UHFFFAOYSA-N 344.378 2.731 0 50 EFAA OC[C@H]1CN(C2CCCCC2)CCC12CCN(c1ncccn1)CC2 219617122 BGMXJEPLJLCAEX-QGZVFWFLSA-N 344.503 2.710 0 50 EFAA O=C(NC1CC1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 159208657 ZJLZQYWYEAAYNL-SNVBAGLBSA-N 348.756 2.794 0 50 EFAA Cc1nc(N[C@@H](Cn2cccn2)c2ccccc2)c2cnn(C)c2n1 72123851 ZLSUOHFTJSZKEY-INIZCTEOSA-N 333.399 2.722 0 50 EFAA CO[C@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1(C)C 452849737 PUKHXNFRUMPOFR-LBPRGKRZSA-N 346.349 2.910 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N3CC(N4CCCC[C@H]4C)C3)n2c1 215714543 VJGRTIXUIIMFAS-CQSZACIVSA-N 326.444 2.650 0 50 EFAA O=C(COc1ccccc1CN1CCSCC1)N1CCCCC1 215954744 VITJPZBUFJWLHL-UHFFFAOYSA-N 334.485 2.627 0 50 EFAA O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC2(CCCO2)CC1 71759318 JTRLHXICFYQPOL-GOSISDBHSA-N 328.456 2.648 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N1CCOc2ccc(CO)cc2C1 216406923 SXAWQLNELWADNB-UHFFFAOYSA-N 336.391 2.624 0 50 EFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC2CCCC2)C1 14955304 YTVBZQJZJATHSI-INIZCTEOSA-N 330.476 2.859 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N(C)[C@@H]3CCN(C(C)C)C3)c2c1 457123611 PIKTWMZLUGQNRL-OAHLLOKOSA-N 329.444 2.660 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 222549721 UMTKHMIDFFJGCR-ZIAGYGMSSA-N 331.334 2.558 0 50 EFAA Cc1ccc(C)c(OCCN2CCC(c3ccnn3CCO)CC2)c1 195509088 DJOCYHPZLPNSSA-UHFFFAOYSA-N 343.471 2.751 0 50 EFAA CC(C)c1nccc(C(=O)NCc2csc(N3CCCC3)n2)n1 426394603 MQSPFIAESKVHJZ-UHFFFAOYSA-N 331.445 2.587 0 50 EFAA COCc1cc(Cn2cc(-c3ccc4c(c3)CC(C)(C)O4)nn2)n[nH]1 91914999 NQFIWMZIEBJPHR-UHFFFAOYSA-N 339.399 2.576 0 50 EFAA Cc1ccc(C)c(NC(=O)CN2CCN(Cc3ccco3)CC2)c1 22752675 CHXKZXGFUWWGCT-UHFFFAOYSA-N 327.428 2.653 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)C1CCN(C2CCCCC2)CC1 95379630 IBFHOSWCQALANU-OAHLLOKOSA-N 330.476 2.569 0 50 EFAA COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1 98213396 LXSPAMHZOIBMRD-UHFFFAOYSA-N 347.415 2.910 0 50 EFAA COCc1nn(C)cc1C(=O)N1C[C@H]2CCCCN2c2ccccc21 295922869 ZPCGBYAWIABLJC-CQSZACIVSA-N 340.427 2.586 0 50 EFAA CCN(Cc1nnc(C(=O)Nc2ccccc2)s1)C[C@H]1CCCO1 182420006 KLFXKWXKQAJJMN-CQSZACIVSA-N 346.456 2.791 0 50 EFAA COc1ccc(F)c(F)c1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252572384 ZEZMLFGDZFNUHU-CZIZLABSSA-N 348.349 2.610 0 50 EFAA C[C@@H](NC1CCN(C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C 183677460 XUBJEPNBEADQRF-GDBMZVCRSA-N 325.497 2.848 0 50 EFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)NCC(C)(C)COC 534587362 ZDYLNRBNNBZQDU-UHFFFAOYSA-N 332.448 2.810 0 50 EFAA O=C(Nc1ccc(F)cc1)c1nnn2c1CO[C@H](c1ccccc1)C2 263616207 HPTYCTVDRKBZIT-INIZCTEOSA-N 338.342 2.941 0 50 EFAA Cc1nnnn1-c1ccc(NC(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 299756802 HKDWIIBJFSASBU-QLFBSQMISA-N 338.415 2.695 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)Cn1cccn1 828043237 WCMANDVKAUWYAD-UHFFFAOYSA-N 326.400 2.959 0 50 EFAA Cc1c(C(=O)NCc2cncn2CC(C)C)c2cc(O)ccc2n1C 821502255 ZEYXXMLWGQTSQX-UHFFFAOYSA-N 340.427 2.975 0 50 EFAA COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)S1 584904311 IDORCFZPNOJAMP-MXOJCPGVSA-N 330.446 2.622 0 50 EFAA Cc1ccc2c(CCN[C@@H](C)CN3CCN(C)CC3)c(C)[nH]c2c1C 584901945 QFIBEFJNHVTWHJ-INIZCTEOSA-N 342.531 2.861 0 50 EFAA C[C@@H]1COC[C@H](c2ccccc2)N1C(=O)c1nnc2ccccc2n1 1875276193 CDKVRRGPEHUXDK-CXAGYDPISA-N 334.379 2.627 0 50 EFAA CC(=O)NCc1cccc(CNC(=O)NCC2CCC(C)CC2)c1 1875260905 FPGBGQBNLRBTQS-UHFFFAOYSA-N 331.460 2.948 0 50 EFAA CS(=O)(=O)c1ccc(NC(=O)CCc2ccc3c(c2)CCO3)cc1 1875265118 XQYRXTGGCOJKDB-UHFFFAOYSA-N 345.420 2.596 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cccc3c2CCC(C)(C)O3)cn1 1875379894 ZBXGJCQVDJYNTL-OYHNWAKOSA-N 327.428 2.787 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1cc(C(F)(F)F)nn1C1CC1 1875303781 MLILKYRWZVRXSG-UHFFFAOYSA-N 345.321 2.610 0 50 EFAA CC(=O)N1CC([C@H]2CCCCN(C(=O)c3cncc(Cl)c3C)C2)C1 1875406956 PMJPZQUVVYBTBE-AWEZNQCLSA-N 349.862 2.764 0 50 EFAA O=C1Nc2ccccc2[C@@]1(O)CCNc1ccc(C(F)(F)F)cn1 877870833 GROVLCANCDSCOE-HNNXBMFYSA-N 337.301 2.742 0 50 EFAA COCC(=O)Nc1ccc(OC)cc1NC(=O)c1cc(C)nc(C)c1 952987256 MSYAUEWSDBNNOC-UHFFFAOYSA-N 343.383 2.544 0 50 EFAA CN1CCC(Oc2ccc(NC(=O)c3nn(C)cc3Cl)cc2)CC1 952979553 WVDRBIKRYJLZHR-UHFFFAOYSA-N 348.834 2.799 0 50 EFAA CC(C)C[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccccn2)no1 886593608 VRAAYYANGRNLLS-AWEZNQCLSA-N 328.416 2.539 0 50 EFAA CN(CCC1CC1)C(=O)c1conc1C1CN(C(=O)OC(C)(C)C)C1 1775998034 QPPJPKZLSIOVRL-UHFFFAOYSA-N 349.431 2.881 0 50 EFAA CO[C@]1(C)CCCN(C(=O)c2cc(-n3ccnc3C)ccn2)CC1 1776002489 OKBKVCPTHTZDBU-GOSISDBHSA-N 328.416 2.607 0 50 EFAA COc1cc(C=O)c(OS(=O)(=O)CC2CCCCC2)cc1OC 271072260 OMKYMNNSRJBQAI-UHFFFAOYSA-N 342.413 2.805 0 50 EFAA O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCO[C@]2(CCOC2)C1 186018720 RNBKAWFABQJWRX-GOEBONIOSA-N 343.345 2.741 0 50 EFAA Cn1c(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nnc1C1CC1 275973188 NTYVSKTXSNFGMZ-OAHLLOKOSA-N 326.448 2.632 0 50 EFAA CON1CCC(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)CC1 633064031 OOTLJUUAVJQPSE-ROUUACIJSA-N 328.456 2.570 0 50 EFAA Cc1cc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c2cnn(C)c2n1 408223136 SPJVBMIOVDNLKK-BUXKBTBVSA-N 344.459 2.584 0 50 EFAA C[C@@H]1CN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CCO1 408519033 TYUDAMFSRVQDKO-COXVUDFISA-N 348.443 2.564 0 50 EFAA Cc1csc([C@H]2CN(c3ncc(Br)cn3)CCO2)n1 169982600 JVESZJQIDVWXDI-SNVBAGLBSA-N 341.234 2.582 0 50 EFAA CCn1nc(C(=O)N2CCC[C@H](c3ccccc3)CC2)ccc1=O 110695015 GROIQWHODJRBEB-INIZCTEOSA-N 325.412 2.673 0 50 EFAA O=C1O[C@H](Cn2nc(-c3ccccc3)ccc2=O)CN1c1ccccc1 170595590 JXFRJXOHLOHDLR-KRWDZBQOSA-N 347.374 2.936 0 50 EFAA O=C(c1cnn2c1CCCC2)N1CCO[C@H](c2ccc(F)cc2F)C1 188408030 BPRNTLAAZOENRV-KRWDZBQOSA-N 347.365 2.711 0 50 EFAA COCCn1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)n1 189801776 DGNFBUDYTMWWJQ-IBGZPJMESA-N 327.428 2.723 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 663030791 XTYKMSHRNYVRBE-PXNSSMCTSA-N 339.391 2.650 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)c2ccnn2C(F)F)o1 668923409 ATZGXMZDRJAZDX-LBPRGKRZSA-N 325.315 2.647 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC([C@H](O)c2cccs2)CC1 1506421179 GFFRKJVAQDAQQT-INIZCTEOSA-N 331.441 2.546 0 50 EFAA Cc1cc2cccc(C(=O)Nc3nnc(CCN(C)C)s3)c2o1 1529110073 KUBWCTNFDKVWJA-UHFFFAOYSA-N 330.413 2.949 0 50 EFAA CCSCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704347453 DUPRKATWRMLMKZ-PBHICJAKSA-N 330.453 2.662 0 50 EFAA Cc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c2ccccc2n1 1704310018 WGCJYPGMNBJIGN-WOJBJXKFSA-N 325.456 2.826 0 50 EFAA Cc1cc(C[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@H]2O)on1 1615733961 VRZYYNSHARLFED-BBRMVZONSA-N 346.452 2.599 0 50 EFAA COC(=O)c1cc(F)cc(NC(=O)C(F)(F)F)c1Br 146364506 RAEHJRHAWNTLHJ-UHFFFAOYSA-N 344.058 2.876 0 50 EFAA O=C(N1C[C@@H]2COCC[C@]2(CO)C1)C1(c2ccccc2)CCCCC1 1772711485 YPWISLYZIVENQJ-UYAOXDASSA-N 343.467 2.746 0 50 EFAA CCOC(=O)CNC(=O)NCc1cccnc1Oc1ccccc1C 12447853 ZGYXUBFKSFGLBE-UHFFFAOYSA-N 343.383 2.545 0 50 EFAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](NCC1CC1)C3 14878607 OBZKTWRSCKSHDJ-ZDUSSCGKSA-N 331.485 2.971 0 50 EFAA COc1ccc(C[C@@H]2CN(CCCn3nc(C)cc3C)CCO2)cc1 19224668 CJBHLPYRVVJLLK-HXUWFJFHSA-N 343.471 2.842 0 50 EFAA CC(C)(C)c1ccc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1 1857730185 ZWFLIJYBPFLTOG-UZLBHIALSA-N 342.439 2.548 0 50 EFAA Cn1[nH]c(=NC(=O)c2ccc3c(c2)OCCO3)c2c(Cl)cccc21 1875249624 KPIZYTKMQACAAP-UHFFFAOYSA-N 343.770 2.672 0 50 EFAA CNC(=O)[C@H]1CCCN(Cc2cccc(CN3CCCCC3)c2)C1 411259561 WXKLCXRLFGORIC-IBGZPJMESA-N 329.488 2.631 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ccc(Br)cc1 237387714 BIEASKKHIUZRMX-BXUZGUMPSA-N 325.250 2.720 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(C)c1 337140259 HAEPFVIRVJQBOT-GUDVDZBRSA-N 331.456 2.543 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](N)C2)sc2nc(C(F)(F)F)ccc12 132657673 RAOOWHKQPVBTDD-MRVPVSSYSA-N 329.347 2.797 0 50 EFAA Cc1[nH]c2ccccc2c1CCNS(=O)(=O)CCC(F)(F)F 252499790 SEIRCEMNRZUAON-UHFFFAOYSA-N 334.363 2.891 0 50 EFAA Cc1cccc2oc(C(=O)N[C@H](c3nccn3C)C(C)(C)CO)cc12 824475208 MCGIBRAHAJUJRZ-MRXNPFEDSA-N 341.411 2.964 0 50 EFAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc[nH]c2C12CCC2 829106639 CKNJTRWPSRKRSU-LBPRGKRZSA-N 329.375 2.780 0 50 EFAA O=C(c1sc2ccccc2c1Cl)N1CCC(CO)(CO)CC1 832566941 LUXVLPWBVSVAJH-UHFFFAOYSA-N 339.844 2.762 0 50 EFAA C=CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1262555547 XHJFHTPYDUTQAE-RISCZKNCSA-N 326.799 2.543 0 50 EFAA Cc1nc(CN2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)oc1C 947426872 SYOYWDAWZIXCCH-WBMJQRKESA-N 331.460 2.951 0 50 EFAA Cc1cc(NC(=O)c2nccc3occc23)ccc1N1CCNCC1 2325779293 VSDMIULCRYMGRY-UHFFFAOYSA-N 336.395 2.798 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(-c2ccncc2)[nH][nH]1 2325840485 BUVRQIHMWNVKQW-UHFFFAOYSA-N 328.763 2.894 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 119648 VLZZNKOSEJAKSW-LBPRGKRZSA-N 329.352 2.888 0 50 EFAA biogenic CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 190624 AHNAYKOKHDHSNQ-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA CCCn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 527571 JOVDGXCJMWHVIR-UHFFFAOYSA-N 337.383 2.914 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1Cl 1075866 CBVYTIWBYNGPID-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA COc1cc(OCCCC(=O)O)ccc1CNC(=O)OC(C)(C)C 2513215 YZVVPQLWYRDVAH-UHFFFAOYSA-N 339.388 2.964 0 50 EFAA CCN(CCn1c(=O)oc2ccccc21)Cc1noc(CC(C)C)n1 55196180 WSTKDNCMWYGRBR-UHFFFAOYSA-N 344.415 2.698 0 50 EFAA CC[C@@H](C)n1nccc1NC(=O)CCn1nnc(-c2ccccc2)n1 55254578 ZMBXJLYCDJUOTK-CYBMUJFWSA-N 339.403 2.536 0 50 EFAA CCn1nc(C)c(NC(=O)NCCc2ccc3c[nH]nc3c2)c1C 345960167 PBXNTUFIKBMZFT-UHFFFAOYSA-N 326.404 2.760 0 50 EFAA CCCCN(Cc1ccc(C)s1)C(=O)CCc1ccc(=O)[nH]n1 65457329 DAKODEGULQWGPY-UHFFFAOYSA-N 333.457 2.901 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2ccn(Cc3ccccc3)n2)C1 347461503 GGKWQUGMCFNXHI-KRWDZBQOSA-N 349.438 2.685 0 50 EFAA COc1cc([C@@H]2CC(=O)Nc3cc(OCC(=O)O)ccc32)ccc1F 65492455 FYVUWAWTICPYQN-ZDUSSCGKSA-N 345.326 2.772 0 50 EFAA CCOCC(=O)N1CCC(c2[nH]ncc2-c2cccc(OC)c2)CC1 67894326 JWCOKKOAYQRZSV-UHFFFAOYSA-N 343.427 2.828 0 50 EFAA O=C1CCC[C@@H](Cc2nc(COc3ccc(F)c(Cl)c3)no2)N1 351134298 PWDYZCDTALLYHK-VIFPVBQESA-N 339.754 2.652 0 50 EFAA CCc1ccccc1OC1CN(C(=O)CC2CCN(CC)CC2)C1 65385519 MDTWYCRJJLSHKN-UHFFFAOYSA-N 330.472 2.961 0 50 EFAA CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(C(=O)O)cc1F 438766242 RCCJZZIGUZDHKN-UHFFFAOYSA-N 345.298 2.627 0 50 EFAA CCOc1ccc(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2)cn1 67981797 UQTFFMKJFFXVSC-HXUWFJFHSA-N 345.487 2.951 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1O 67868719 NVIMABKGXMJTDH-IUODEOHRSA-N 333.457 2.894 0 50 EFAA C[C@@H](C(=O)N1Cc2cnc(C(C)(C)C)nc2C1)n1cc(Cl)cn1 67804107 XRVZCRWBBMIABU-JTQLQIEISA-N 333.823 2.727 0 50 EFAA Cc1n[nH]c(C)c1CNc1nc(-c2ccccc2)nc2c1CCNC2 67472893 OLJMHTFNOSWCSO-UHFFFAOYSA-N 334.427 2.741 0 50 EFAA Cc1c(Br)c(-c2nnc(S)n2CC(C)C)nn1C 204511 CTJPGOQTLRAKFQ-UHFFFAOYSA-N 330.255 2.694 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1Cn1cccn1)n1cc(Cl)cn1 65398449 VPXBZBYERSPMIH-ZDUSSCGKSA-N 343.818 2.659 0 50 EFAA O=C(Nc1ccccc1C(=O)O)c1cc(-n2cnnc2)ccc1Cl 5067982 CTAFIWLAXYIMFE-UHFFFAOYSA-N 342.742 2.871 0 50 EFAA O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(O)cc(C(F)(F)F)c1 356406471 MKOVLLNMCIALSJ-HUUCEWRRSA-N 343.345 2.981 0 50 EFAA O=C(NCc1ccn(C2CCCC2)n1)N1CCC[C@@H](c2ccn[nH]2)C1 152319233 GUBGPPZQEWERAY-CQSZACIVSA-N 342.447 2.811 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@H]3C)C2)cc1OC 6738546 HZMUIEZTYIMFKG-SJKOYZFVSA-N 332.400 2.598 0 50 EFAA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C 6819431 YRFJWQWPSYDRFU-INIZCTEOSA-N 331.412 2.842 0 50 EFAA Cc1oc2c(c1C(=O)N[C@H]1CCOC3(CCOCC3)C1)C(=O)CCC2 77523025 WVDWLBMVJSWJBN-ZDUSSCGKSA-N 347.411 2.565 0 50 EFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(-n2cnnc2)cc1 216250469 AISBQHXBRBGVKP-AWEZNQCLSA-N 347.300 2.696 0 50 EFAA O=C(CN1Cc2ccccc2C1)NCc1cnn(Cc2ccccc2)c1 216409776 YZWBQQYGEQJPDY-UHFFFAOYSA-N 346.434 2.563 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)cc1 125690254 RMFQJDIXSOZODC-SFHVURJKSA-N 336.391 2.511 0 50 EFAA COC(=O)c1cccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 173249951 NRYLTKXNBGSRMP-HNNXBMFYSA-N 345.443 2.813 0 50 EFAA Cn1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C(F)(F)F)n1 331657176 RUZFDSFBYYSMPC-JTQLQIEISA-N 342.325 2.921 0 50 EFAA COc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc(C)n1 331918065 LILAVCZYNGGNPC-CZUORRHYSA-N 348.349 2.625 0 50 EFAA CCN1CC2(CCN(C(=O)C3(c4ccccc4F)CC3)CC2)OC1=O 77375100 QSZYWASZWTZPOI-UHFFFAOYSA-N 346.402 2.691 0 50 EFAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)ns1 332162421 VUZBAIKSBMKMME-CQSZACIVSA-N 329.425 2.503 0 50 EFAA CCSc1ncc(CN(C)C[C@H]2COc3ccccc3O2)cn1 215968297 GJJNYQZNZKHAFG-AWEZNQCLSA-N 331.441 2.860 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccoc2)C1 72463233 UGMDMCMETYITNP-KRWDZBQOSA-N 343.475 2.774 0 50 EFAA Cn1ccnc1[C@H](NCC1=Cc2ccccc2OC1)C1CCOCC1 284652191 GFWQGOPZJNKZIQ-LJQANCHMSA-N 339.439 2.953 0 50 EFAA O=C(O)C1(n2ccnc2)CCN(Cc2ccc(F)cc2Cl)CC1 72420393 PTOQCQOTEQBPAF-UHFFFAOYSA-N 337.782 2.752 0 50 EFAA CC(C)n1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)cn1 77456652 RDGDGTLINMVPEU-KRWDZBQOSA-N 338.415 2.617 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)Cc3cnc(N)nc3)c2c1 77377000 GORBZTALQJURHV-UHFFFAOYSA-N 335.411 2.804 0 50 EFAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)cnn1-c1cccc(Cl)c1 237755707 URNXCRDZCQNSNF-AWEZNQCLSA-N 333.775 2.523 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1C1CCCCC1 237701556 UEGLRKGZIKBFRX-MRXNPFEDSA-N 348.443 2.926 0 50 EFAA CCC(CC)(CNc1nc(N)c2cc(OC)c(OC)cc2n1)C(=O)O 263112267 YWOYHVMRFZWIDM-UHFFFAOYSA-N 348.403 2.532 0 50 EFAA CC(C)(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)nc1 263190628 LEXJMUBLOJPHCK-MRXNPFEDSA-N 326.396 2.805 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 284806332 KYQHMWYBDWVDCC-VHSXEESVSA-N 337.725 2.581 0 50 EFAA CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2cnn(C)c2)o1 131983753 XDRWITWYTPVCLC-SWLSCSKDSA-N 344.415 2.514 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 286656418 FRMMXBBXVJCZKV-ZETCQYMHSA-N 334.178 2.862 0 50 EFAA COc1cccc([C@H]2CN(C(=O)Cc3nc(C)sc3C)CCO2)c1 130452805 FZAVXZFRAPYLIB-QGZVFWFLSA-N 346.452 2.911 0 50 EFAA O=C([C@H]1CCOc2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 135450300 OYILIEDVTFHWCT-PKOBYXMFSA-N 339.391 2.858 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)s1 263207534 NBOYMJDUVCBAIC-RDTXWAMCSA-N 327.405 2.967 0 50 EFAA O=C(NCCN1CCc2ccccc2C1)[C@@H](O)c1ccc(Cl)cc1 220168127 DOEPNKFCIMPCFW-SFHVURJKSA-N 344.842 2.548 0 50 EFAA Cc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccc(F)cc23)cn1 221353324 NHLVSDVPCUTKJQ-NSHDSACASA-N 325.343 2.862 0 50 EFAA Cn1cc(-c2cc(CN3CCC[C@@H](c4nccs4)C3)on2)cn1 184991909 UIVMJPJVDOIMQM-GFCCVEGCSA-N 329.429 2.911 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 20614156 MWWMYRNYPVXSJT-CQSZACIVSA-N 331.759 2.875 0 50 EFAA O=C(NCc1ccncc1)N1CCC([C@@H](O)c2cccs2)CC1 426473338 BBMIHWLGFGOZEU-MRXNPFEDSA-N 331.441 2.798 0 50 EFAA O=C(NCCn1cccn1)N1CCC[C@H](COc2ccccc2F)C1 426497064 XAOYYXCPLHOZKE-HNNXBMFYSA-N 346.406 2.523 0 50 EFAA CCCN1CCC[C@]2(CCN(C(=O)c3cc(C)n(C)c3C)C2)C1=O 91943267 IOMMXTRHHMCEBH-LJQANCHMSA-N 331.460 2.507 0 50 EFAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CC(=O)N(CC)C1 91350545 ULEKQGVXUWUVAG-ZDUSSCGKSA-N 338.835 2.566 0 50 EFAA COc1cc(C(=O)N2CCC[C@](CC=C(C)C)(C(=O)O)C2)ccn1 91594469 BVNHYVPAMNPNFI-GOSISDBHSA-N 332.400 2.754 0 50 EFAA CCn1ncc(Cl)c1C(=O)NC[C@@H]1COc2cc(OC)ccc2C1 95520338 XAGUZYKJXFPBEP-LLVKDONJSA-N 349.818 2.546 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 237779621 WGWNMLDVCGSVAT-AWEZNQCLSA-N 333.718 2.878 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CC3(CCOC3)C2)c2c1CCC2 294511185 RRTIXWMJSHRDGX-UHFFFAOYSA-N 337.423 2.532 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccc(C)cc3)CC1)C2 91625381 AFWRZACOLJLROQ-IEBWSBKVSA-N 342.483 2.596 0 50 EFAA C[C@H](Cc1cnccn1)N(C)Cc1nnc(-c2cccc(F)c2)o1 244884468 YNHMPSLUJRKDPP-GFCCVEGCSA-N 327.363 2.729 0 50 EFAA Oc1cccc(N2CCN(Cc3cncn3Cc3ccccc3)CC2)c1 244594208 DIFOGTQALQLNKT-UHFFFAOYSA-N 348.450 2.959 0 50 EFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCO2 244817175 SVMADBGIEAUJSZ-VBQJREDUSA-N 329.421 2.925 0 50 EFAA COC(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 182732276 ZJROFIISBRJPJR-CQSZACIVSA-N 325.792 2.583 0 50 EFAA Cc1oc2c(c1C(=O)N[C@H](C)c1cn3ncsc3n1)C(=O)CCC2 252506645 WBYPQMYGTIONRD-MRVPVSSYSA-N 344.396 2.702 0 50 EFAA Cc1ccc(CN(C)CC(=O)N[C@H](c2nccn2C)C(C)C)cc1 252496822 PSKHULBMMGZWHA-SFHVURJKSA-N 328.460 2.674 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1C(F)(F)F 299746379 WZMFXVGIFQGJCY-ZIAGYGMSSA-N 339.317 2.567 0 50 EFAA CN(C)C[C@@H]1CCn2ncc(C(=O)NCCC3=CCCCC3)c2C1 299744644 TXRVKWOSVIJBKN-MRXNPFEDSA-N 330.476 2.627 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)c1cnc(N)s1)CC(C)(C)O2 534583444 LPAIOWKWKJXHBI-LLVKDONJSA-N 333.413 2.766 0 50 EFAA O=C(CN1CCOc2ccccc2C1)Nc1noc2ccc(F)cc12 1940195411 BBEVFNZQCDDBQU-UHFFFAOYSA-N 341.342 2.800 0 50 EFAA Cc1cc(CC(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)on1 299799796 SOGVLBVEMDUBHA-UHFFFAOYSA-N 326.400 2.768 0 50 EFAA CCCn1ncnc1-c1ccc(OCC(=O)N2CCCCC2)cc1 823036178 GHBHCHVCFUVNJG-UHFFFAOYSA-N 328.416 2.746 0 50 EFAA COc1cc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)ccc1C 824589322 QCJYBJXXLOEDNG-UHFFFAOYSA-N 341.411 2.756 0 50 EFAA COCc1nc(CN2CCc3ccccc3C2)n(CC(F)(F)F)n1 670456191 GAGYMLCIXRRWJF-UHFFFAOYSA-N 340.349 2.545 0 50 EFAA C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccccc1)C(C)(C)CO 864094072 CXDZFHWEHKKWHC-GDBMZVCRSA-N 336.476 2.843 0 50 EFAA O=C(c1ccc2sccc2c1)N1CCC(N2CCCNC2=O)CC1 269606787 KHICOUIHTSIFJY-UHFFFAOYSA-N 343.452 2.921 0 50 EFAA Cc1cccc(-c2nc(C(=O)NCCCc3nc(C)no3)c(C)[nH]2)c1 270169402 HGOWYAIFLQKQEW-UHFFFAOYSA-N 339.399 2.748 0 50 EFAA O=C(O)c1csc(C2CCN(Cc3ccccc3CO)CC2)n1 1875298451 BAVJNGYGOBHGCZ-UHFFFAOYSA-N 332.425 2.713 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cn2cncn2)cc1 1875280406 DYSVUDDVSJKEPT-UHFFFAOYSA-N 334.383 2.555 0 50 EFAA O=S(=O)(c1ccccc1-c1ccno1)N1C[C@H]2CC(F)(F)[C@H]2C1 1875297698 AOTVDQZIPNFROA-PWSUYJOCSA-N 340.351 2.617 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccnc2ccccc12)N1CCO[C@@H](c2cc[nH]n2)C1 1875297603 YBKBXAJLWOZOLB-FRQCXROJSA-N 348.406 2.662 0 50 EFAA O=C(N[C@H]1CCC[C@@H]1C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320290 OFNQITSJNSGRDX-QWRGUYRKSA-N 342.317 2.961 0 50 EFAA Cn1ccc2c(C(=O)N3CCC(CN=S(C)(C)=O)CC3)cccc21 952993356 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CC(C)(C)C(=O)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19315783 NXYYQONZMYUYCX-BDAKNGLRSA-N 331.671 2.614 0 50 EFAA COc1ccc(OCC(=O)N2CCN([C@H]3CCCC[C@@H]3C)CC2)cc1 19841976 SKUSXVFPLNSWDB-LPHOPBHVSA-N 346.471 2.797 0 50 EFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2ccco2)CC1 1857682591 KGYMMHMRFFWSNW-UHFFFAOYSA-N 347.392 2.744 0 50 EFAA CCn1nccc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857701750 OIFUYPAOTGYGIA-UHFFFAOYSA-N 349.438 2.545 0 50 EFAA COc1cccc2ccc(CN3C[C@@H](O)[C@H](Cc4ccncc4)C3)nc12 1857723568 LKORLLFRDKLVOK-IEBWSBKVSA-N 349.434 2.674 0 50 EFAA CCCc1[nH]ccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 421737866 NXWIEQBTTIAEPF-UHFFFAOYSA-N 325.412 2.565 0 50 EFAA Cc1ccnc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1 343556642 NNRYJSVNEGFBIP-NSHDSACASA-N 325.338 2.921 0 50 EFAA CCC[C@@H](NC(=O)[C@H]1CNCCO1)c1cccc(C(F)(F)F)c1 155233339 CFYSDEREDAZYEW-ZIAGYGMSSA-N 330.350 2.651 0 50 EFAA C[C@@]1(CNC(=O)[C@@H]2C[C@@]2(C(=O)O)c2ccccc2)CC1(Cl)Cl 905115340 ITMUAQRZURKFEF-TUKIKUTGSA-N 342.222 2.729 0 50 EFAA 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CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)ccc2C)C1 347959606 ZZUNKPOFTBSKHJ-GXTWGEPZSA-N 346.324 2.806 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccncn2)c1 55393410 QCOHLAJZAKABLA-JTQLQIEISA-N 332.791 2.922 0 50 EFAA O=C(NC1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccsc1 119297327 QMZPPFRJDBKWAG-UHFFFAOYSA-N 349.843 2.831 0 50 EFAA CCCc1ccc(CN2CCC[C@H](c3nn(C)c(=O)n3CC)C2)o1 67847000 SLGPZWPKKLJXHT-AWEZNQCLSA-N 332.448 2.527 0 50 EFAA COc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 38541592 GXMSLWYXOPQCHK-UHFFFAOYSA-N 329.429 2.847 0 50 EFAA O=c1cc(CN2CCc3c(Cl)cc(Cl)cc3C2)[nH]c2ccnn12 122094869 ORBHAMFOXHOADL-UHFFFAOYSA-N 349.221 2.888 0 50 EFAA Cc1sc2ncnc(N[C@@H](Cc3ccccc3)C(N)=O)c2c1C 65373827 BSRNDJWIYUFVHX-ZDUSSCGKSA-N 326.425 2.817 0 50 EFAA Cc1cc(NCc2cccnc2N2CCc3ccccc3C2)nc(N)n1 67758561 CMUFVDKCWCSLNL-UHFFFAOYSA-N 346.438 2.937 0 50 EFAA CC(C)(C)OCc1ccccc1C(=O)Nc1ncc(C(N)=O)s1 358922893 LYACKBXHHRLFEC-UHFFFAOYSA-N 333.413 2.809 0 50 EFAA CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1 253388795 KAWOHEHPAJHLPW-OVYGPGRDSA-N 334.460 2.796 0 50 EFAA Cc1cccc(OCCCC(=O)n2c(N)nnc2N2CCCCC2)c1 253427419 ZPJRLINGOXIREJ-UHFFFAOYSA-N 343.431 2.658 0 50 EFAA CCc1ccc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)[nH]1 219309698 RHSWEPQRPHJQLP-UHFFFAOYSA-N 326.322 2.667 0 50 EFAA CN(CCCCN1CCOCC1)Cc1ccc2cc(F)ccc2n1 215259526 QKKNDTJUTUWPLS-UHFFFAOYSA-N 331.435 2.918 0 50 EFAA O=C(NCc1ccc(-n2cccn2)cc1)[C@@H]1COc2ccccc2C1 78324482 QBTUXQSOADHEEC-KRWDZBQOSA-N 333.391 2.740 0 50 EFAA O=C(O)[C@H]1CN(C(=O)Cc2noc3ccccc23)Cc2ccccc21 361670786 DICYPMIVQLTKGC-HNNXBMFYSA-N 336.347 2.581 0 50 EFAA Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(C(F)(F)F)CC2)c1 331945849 NORDTNVWSGRSKX-UHFFFAOYSA-N 338.333 2.990 0 50 EFAA Cc1nc2c(C(=O)N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)cccc2[nH]1 282892327 WFLWXNGSVGXMTI-WMLDXEAASA-N 339.370 2.959 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCc2ccsc2C1 132559544 IHVDFRIHNOFFHJ-AWEZNQCLSA-N 332.429 2.714 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CC23CCNCC3)[C@H](C)CO1 261940619 NINXCRGIFPPGOT-NXHRZFHOSA-N 328.456 2.673 0 50 EFAA CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](N)C(C)C)CC1 237064659 DFBDQHWDWJVKSC-SFHVURJKSA-N 328.460 2.746 0 50 EFAA COCC1(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CCC1 77298011 LJIYGHWZKGEZTO-GOSISDBHSA-N 331.456 2.645 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccccc1Cn1cccn1 77535118 NRTXBYYNSKUCMX-LJQANCHMSA-N 340.471 2.764 0 50 EFAA O=C1CC[C@]2(CCCN(c3ccccn3)C2)CN1Cc1cccnc1 72436365 FORZRXKWEACOMZ-FQEVSTJZSA-N 336.439 2.886 0 50 EFAA CCN1C[C@@H](C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1=O 75723711 GDVOLVMIYHZQQD-JTQLQIEISA-N 335.454 2.987 0 50 EFAA O=C([C@H]1CC12CCC2)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1 72421856 YUYGFUSWNAXFEG-OAHLLOKOSA-N 347.386 2.841 0 50 EFAA CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CCCN2CCCC[C@H]12 77566182 OTOIKDWZHPNGAA-DZGCQCFKSA-N 346.500 2.681 0 50 EFAA CCCc1nc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cs1 451214073 BSACZWAOGYVGDK-UONOGXRCSA-N 329.469 2.877 0 50 EFAA O=C(Cc1ccc2ccccc2c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286411606 RKTAJUOQYFOZIJ-ZCNNSNEGSA-N 339.435 2.771 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 241720886 QTDHISYLSCABNF-DJIMGWMZSA-N 346.475 2.686 0 50 EFAA CCc1ncc(C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cn1 72440212 NEBNGUCPNQQBLW-UHFFFAOYSA-N 337.423 2.802 0 50 EFAA O=C(Cc1ccncc1)NCc1ccc(C(=O)N2CCCCC2)cc1 181847558 RYRDXRMRKBAELE-UHFFFAOYSA-N 337.423 2.567 0 50 EFAA CSc1ncccc1C(=O)N1CCC([C@H](O)c2ccccn2)CC1 220689490 AXUNWMJEZHQDFX-INIZCTEOSA-N 343.452 2.784 0 50 EFAA CCc1[nH]nc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)c1C 225535724 AOEYHCYSOWSHSL-UHFFFAOYSA-N 342.378 2.620 0 50 EFAA O=C(NCc1nc2ccccc2s1)N1CCC[C@@H](c2ncon2)C1 426535080 GUPLXXHKHOEJHF-LLVKDONJSA-N 343.412 2.769 0 50 EFAA Cc1nc([C@@H](C)NC(=O)N(CCCO)Cc2cccnc2)c(C)s1 426738970 CIRAZYMKTBNPQI-GFCCVEGCSA-N 348.472 2.810 0 50 EFAA COc1cccc(Cl)c1[C@@H](C(=O)O)N(C)Cc1c(C)n[nH]c1C 95386359 KEKBMLWNPVTKFX-HNNXBMFYSA-N 337.807 2.946 0 50 EFAA Cc1ccc2nc(C)c(C)c(C(=O)N3Cc4nc(C)[nH]c(=O)c4C3)c2c1 95507622 IVYFBQSQUMPUKK-UHFFFAOYSA-N 348.406 2.708 0 50 EFAA CC(C)CCN1C[C@]2(CCCN(C(=O)N3CCCC3)C2)CCC1=O 91636708 PSWNRAITXNEZKQ-IBGZPJMESA-N 335.492 2.953 0 50 EFAA Cc1c(Cl)cc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1Cl 95371301 JERDPZVBFNNXTP-GJZGRUSLSA-N 343.254 2.583 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(c3cccc(C(=O)O)n3)C2)c1 95523297 SEABPWLQPKTITE-LBPRGKRZSA-N 328.368 2.791 0 50 EFAA CN(C)CCCC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96150454 DLBOIBYDODAYBW-UHFFFAOYSA-N 348.397 2.581 0 50 EFAA O=C1CC[C@@]2(CCCN(c3nccs3)C2)CN1Cc1ccncc1 91943869 ZTTCYZYTNYCTSP-GOSISDBHSA-N 342.468 2.947 0 50 EFAA Cc1cc(CC(=O)N[C@H]2CCc3cc(Br)ccc32)n[nH]1 267971455 PXZPHTRRGSQLRL-AWEZNQCLSA-N 334.217 2.827 0 50 EFAA COc1ccc2c(c1)OC[C@]1(CO)CN(CCCC(F)(F)F)C[C@H]21 95529691 DQBWTPVYFQOULJ-GDBMZVCRSA-N 345.361 2.808 0 50 EFAA COc1cc(C(=O)O)cc(C(=O)N[C@@H](c2cccc(C)n2)C2CC2)c1 97729728 RDPACIZFCKPOKF-QGZVFWFLSA-N 340.379 2.978 0 50 EFAA CCNC(=O)c1ccnc(C[C@H]2COc3cc(OC)ccc3C2)c1 91664797 QBAQSDCNENEPGK-ZDUSSCGKSA-N 326.396 2.634 0 50 EFAA Cc1nccn1-c1ccccc1CNc1cc([C@H]2C[C@@H](O)C2)ncn1 244811559 SGVLXWZZFXTDAX-IYBDPMFKSA-N 335.411 2.821 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(-c2ccccc2)on1 244700880 JVQZCODRDNHWSG-DOXZYTNZSA-N 349.390 2.979 0 50 EFAA CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1coc(-c2cccs2)n1 182615397 HKHLGTXXUAUGNT-JSGCOSHPSA-N 340.470 2.849 0 50 EFAA C[C@@]1(CO)C[C@H](O)CN1C(=O)Nc1ccc(-c2ccccc2)cc1 864096838 JQNOAOSVIUVUJI-HKUYNNGSSA-N 326.396 2.703 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)c2ccccc2o1 299744565 SWAYUEQPIZBEMA-XBFCOCLRSA-N 341.363 2.651 0 50 EFAA CN1C[C@@H](C(=O)Nc2c[nH]nc2-c2ccccc2)[C@H](C(F)(F)F)C1 299744154 NRAORXFKIIMTLX-VXGBXAGGSA-N 338.333 2.755 0 50 EFAA Cc1ccc(-c2nc(CN3CCC[C@H](c4nc(C)n[nH]4)C3)no2)cc1 252510266 ZFUXLOGTMMYMNZ-HNNXBMFYSA-N 338.415 2.851 0 50 EFAA COCCOc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 268943612 MSYJQQLFSQDKPI-UAGQMJEPSA-N 347.411 2.570 0 50 EFAA COc1ccc(OC)c([C@H](C)Nc2ccc(C(=O)N(C)C)cn2)c1 267175338 DBXSXQOASURWLJ-LBPRGKRZSA-N 329.400 2.974 0 50 EFAA Cc1cc(C)nc(CCNC(=O)Nc2c(C)cnn2[C@H](C)C2CC2)n1 299773342 FCIICPFMPXCTIV-CQSZACIVSA-N 342.447 2.934 0 50 EFAA Cc1nc2ccc(NC(=O)NCC3(N(C)C)CCOCC3)cc2s1 299781237 KSCVZXCCJIXLAV-UHFFFAOYSA-N 348.472 2.837 0 50 EFAA OCCn1nc(Cc2cccnc2)nc1-c1csc2c1CCCC2 828778363 KWXCQSYQONGJJV-UHFFFAOYSA-N 340.452 2.864 0 50 EFAA Cc1cccc(Cn2nc(Cc3cccnc3)nc2[C@@H]2CCC(=O)N2)c1 825219038 HFUPBWLNRURCSF-KRWDZBQOSA-N 347.422 2.572 0 50 EFAA O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1446534592 JNPJATNXTLLOSZ-VHDGCEQUSA-N 347.365 2.788 0 50 EFAA COCc1ccc(C(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)cc1 270998436 PRCUIVUVSNXYJA-UHFFFAOYSA-N 344.455 2.840 0 50 EFAA CN(C(=O)[C@H]1CC(=O)Nc2ncccc21)c1ccc2ccccc2n1 1875345387 YVTXSZDIKYAZDL-AWEZNQCLSA-N 332.363 2.719 0 50 EFAA Cc1c(C(=O)N[C@@H](C)c2csc(=N)[nH]2)c(O)nc2ccccc12 1875331686 UGDXMYCWYVPUFC-VIFPVBQESA-N 328.397 2.609 0 50 EFAA COc1cccc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1 1875288524 JSBPCAHDLJIPFC-NWDGAFQWSA-N 329.400 2.713 0 50 EFAA CC1(c2nc(Cl)cc(N3CCC(O[C@H]4CCOC4)CC3)n2)CC1 1875294544 ILKFYCVOUBKLDE-ZDUSSCGKSA-N 337.851 2.956 0 50 EFAA O=C(O)C[C@@H]1CC[C@H]2CN(C(=O)c3cccc4c[nH]nc34)CC[C@@H]2C1 1875291803 LZSYFYHVNOKOPO-NFAWXSAZSA-N 341.411 2.916 0 50 EFAA CO[C@H](C(=O)Nc1c(Cl)c(C)nn1C)c1cc(F)cc(F)c1 1875276292 WPYLSPYVQOPVFQ-LBPRGKRZSA-N 329.734 2.986 0 50 EFAA Cc1nc2sccn2c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 876968666 JIWIRCMZYLIKEA-CQSZACIVSA-N 342.424 2.617 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCC[C@H](OCc3ccccn3)C2)c1 952968685 OAWWUAGGSMNRSE-KRWDZBQOSA-N 346.452 2.760 0 50 EFAA O=C(c1ncoc1C1CC1)N(Cc1ccccn1)C[C@@H]1CCCO1 952978511 CXYGSIVSHHWCGC-HNNXBMFYSA-N 327.384 2.768 0 50 EFAA COCc1c(C(=O)N[C@H]2CCOC23CCOCC3)oc2ccccc12 890432162 JJDCAWQUCBULBH-INIZCTEOSA-N 345.395 2.647 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCC(CC(N)=O)CC2)n1 891876855 DWAGFIWQPJACEW-UHFFFAOYSA-N 325.416 2.620 0 50 EFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 275734789 UXFAQUHXPAKHQF-LLVKDONJSA-N 335.791 2.688 0 50 EFAA CNCC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 170048989 PTMYBVCMGMOCJX-UHFFFAOYSA-N 329.347 2.665 0 50 EFAA C[C@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(N2CCCC2=O)c1 170090377 MREDBBMNKURODS-STQMWFEESA-N 340.431 2.547 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1C[C@H]1c1cccc(O)c1 170003448 DTBSVQXPPYPUNP-ROUUACIJSA-N 333.391 2.998 0 50 EFAA CC(C)(C)[C@H](NC(=O)c1cccc(Br)c1Cl)C(N)=O 170593389 MMTOOABADYVBNY-SNVBAGLBSA-N 347.640 2.732 0 50 EFAA Cc1nc(CO[C@@H]2CCN(CC(=O)Nc3cccc(F)c3)C2)cs1 170599808 KMKGKQWVFRAQOH-MRXNPFEDSA-N 349.431 2.820 0 50 EFAA O=C(O)CCC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 170612444 NZBWWWONEXBYQH-MRXNPFEDSA-N 338.363 2.935 0 50 EFAA CC[C@@H](c1ccc(F)cc1F)N1CCN([C@H](CC)C(=O)O)CC1 191437017 JLUHOZFURJYDSD-JKSUJKDBSA-N 326.387 2.897 0 50 EFAA CC(C)CN(CCc1ccc(F)cc1)C(=O)C[C@H]1CCC(=O)N1C 666172657 MROFTFRIMXLXHN-QGZVFWFLSA-N 334.435 2.864 0 50 EFAA COc1cccc(CCCNC(=O)c2cc(CC(C)C)nc(O)n2)c1 1506400194 AWFYCTYDJWTFKL-UHFFFAOYSA-N 343.427 2.752 0 50 EFAA COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c(C)c1 216339980 CEZGXEYXIHGZMZ-MSOLQXFVSA-N 339.391 2.944 0 50 EFAA CN(C)C(=O)c1ccc(NC[C@H]2CCN(C3CCCCC3)C2)nc1 1704326040 UIDBPBVXJHQMTB-OAHLLOKOSA-N 330.476 2.850 0 50 EFAA O=C(CCc1cnccn1)N1CCO[C@@H](Cc2ccccc2Cl)C1 12091971 QIJXFXQQGPQFBV-INIZCTEOSA-N 345.830 2.533 0 50 EFAA O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12093717 QMBKRFCWMHCPEJ-CQSZACIVSA-N 342.361 2.536 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 12242253 KDHXZAWSHKEWMR-NSHDSACASA-N 341.383 2.565 0 50 EFAA CCc1cc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)on1 12715279 CYOLIFBSENDFRB-KRWDZBQOSA-N 327.428 2.674 0 50 EFAA O=C1CCN(C(=O)c2cccs2)CCN1Cc1cccc(F)c1 14987910 VCMZYLUJWKGLNX-UHFFFAOYSA-N 332.400 2.762 0 50 EFAA CC1CCN(S(=O)(=O)Nc2ccc(Br)cc2)CC1 16624110 XGMUOHGMUIXBJV-UHFFFAOYSA-N 333.251 2.838 0 50 EFAA c1cc(-c2cc(CN3CCc4[nH]nc(C5CC5)c4CC3)on2)ccn1 1857668411 SWVFTFGBTDCPBL-UHFFFAOYSA-N 335.411 2.938 0 50 EFAA CC(=O)NCCNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 117232002 OSERYVGQMMJWFU-UHFFFAOYSA-N 332.350 2.806 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 430074330 BWWCOUUMNSPNEH-MSOLQXFVSA-N 349.446 2.927 0 50 EFAA COCc1ccc(C(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)cc1 737833872 AVBHUTXGIUQWCV-HNNXBMFYSA-N 335.306 2.667 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 128522186 GSRIXWNNQXJULM-LLVKDONJSA-N 334.759 2.932 0 50 EFAA COc1ccc(C(=O)NC[C@@H](C)CN2CCCC2)c(OC(C)C)c1 240412894 FOQQOTBKLYYTIC-OAHLLOKOSA-N 334.460 2.944 0 50 EFAA CCCCc1nc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(Cl)[nH]1 248200367 VHAKHFUSXDZKAA-NEPJUHHUSA-N 325.840 2.948 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348238383 DVBKMKJGKUAIKA-MEDUHNTESA-N 343.333 2.789 0 50 EFAA CN(CCc1ccccn1)[C@H]1CCCN(c2ccccc2F)C1=O 153017612 QPWDKAMXQJEBLQ-SFHVURJKSA-N 327.403 2.891 0 50 EFAA O[C@@]1(C2CC2)CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 373244378 KTOCSUGVLVUORT-KRWDZBQOSA-N 333.819 2.779 0 50 EFAA COc1nscc1-c1noc(C[C@@H]2CC(=O)Nc3ccccc32)n1 904131936 OQFXUGDUIDZIDO-VIFPVBQESA-N 342.380 2.870 0 50 EFAA CCn1cc(Cl)cc1C(=O)N(C[C@H]1CCCO1)c1ccnnc1 906082779 ONKWQQOTUGBHNQ-CQSZACIVSA-N 334.807 2.777 0 50 EFAA O=C(NCC[C@H]1CCCC[C@H]1O)Nc1cc(Br)ccn1 931088633 LNXHABOAVMBJML-ZYHUDNBSSA-N 342.237 2.907 0 50 EFAA CC(C)Cc1ncc(NC(=O)NC[C@H]2CCC3(CCOCC3)O2)cn1 931206246 URVGVAOBOWUUNL-OAHLLOKOSA-N 348.447 2.525 0 50 EFAA CC(C)Cn1ncc(NC(=O)N(C)[C@H]2CCCN(C)C2)c1C1CC1 931434386 SQSMDXXBKNFGGC-HNNXBMFYSA-N 333.480 2.974 0 50 EFAA C[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)c1nc(C(C)(C)C)no1 933802750 OUPPEIIULWZSAQ-SSDOTTSWSA-N 327.335 2.529 0 50 EFAA Cc1nn(CC(F)F)cc1C(=O)N1CCCC[C@H]1c1cncn1C 936022963 LGBOBFYLUYHGIH-ZDUSSCGKSA-N 337.374 2.558 0 50 EFAA Cc1nc([C@@H](C)NC(=O)CCn2cnc3cc(F)c(F)cc32)[nH]c1C 2325731490 KUXJHABFSUQPEW-LLVKDONJSA-N 347.369 2.922 0 50 EFAA CC(C)[C@H]1COCCN(C(=O)c2cncnc2-c2ccccc2)C1 2325784142 CUGUOEOVWWBXFV-MRXNPFEDSA-N 325.412 2.888 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 2325788010 HQHKTEBKOKORHA-QGZVFWFLSA-N 347.390 2.527 0 50 EFAA C[C@@H]1C[C@H](C(=O)NC2(Cc3ccccc3F)CCCC2)O[C@H]1C(=O)O 2325788461 HSWDHDYXOKVAJB-DAXOMENPSA-N 349.402 2.675 0 50 EFAA CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(c2cc(C)no2)CC1 2325818193 GJEOGDKORVOALB-GDBMZVCRSA-N 347.459 2.774 0 50 EFAA C[C@@H](C(=O)N1CCC[C@@H]1C1(C)CC1)n1cc(C2CCOCC2)nn1 2325843651 LGZMCFZVKKWZOC-XJKSGUPXSA-N 332.448 2.524 0 50 EFAA O=C(OCc1nccn1-c1ccccc1)c1n[nH]c2c1CSCC2 2325864859 BPAJFFJBDFHTEH-UHFFFAOYSA-N 340.408 2.742 0 50 EFAA Cn1ccc2ccnc(C(=O)NCc3ccccc3-c3ncc[nH]3)c21 2325870889 TVEURRMBDITVAL-UHFFFAOYSA-N 331.379 2.893 0 50 EFAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1O 103836 KZLXMOBHUNKOJX-INIZCTEOSA-N 348.399 2.618 0 50 EFAA COC(=O)CNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 287844 FGSGRWFZYDZXJS-UHFFFAOYSA-N 328.159 2.507 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 466637 RXWKRPQXYCLMJK-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)no1 615420 GEGXEQVNKUROBO-UHFFFAOYSA-N 330.369 2.688 0 50 EFAA CCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 2837183 OPUOBWKHAVEGMJ-UHFFFAOYSA-N 346.452 2.793 0 50 EFAA CC1=CC2(CCN(C(=O)c3cnn4cc(C)ccc34)CC2)OCC1 2356155385 FEWRKVDEEKDETH-UHFFFAOYSA-N 325.412 2.984 0 50 EFAA COc1cnccc1-c1ccc(C(=O)NCCc2cnccn2)cc1 2356169046 JUTQDHUIJXFAQZ-UHFFFAOYSA-N 334.379 2.520 0 50 EFAA NC(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 4413066 XPPWOHZSNOEJQN-UHFFFAOYSA-N 326.327 2.527 0 50 EFAA CC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 4815947 BIBGFWBTLNIJNO-UHFFFAOYSA-N 348.428 2.745 0 50 EFAA O=C(Nc1ccccc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4821268 JQPWZRRAYKYTTQ-CQSZACIVSA-N 334.397 2.501 0 50 EFAA C[C@@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O 6585741 FQIFGZNOZKLQQY-VIFPVBQESA-N 330.290 2.588 0 50 EFAA CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 6701883 MWVAQWDPGAVXOP-UHFFFAOYSA-N 348.424 2.554 0 50 EFAA O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccc(Cl)cc1 8844141 XUWYWTZACPHUMU-UHFFFAOYSA-N 335.816 2.643 0 50 EFAA O=C(NCc1cccc(O)c1)c1cc(Cl)nc(N2CCCC2)c1 112724718 DLOKWURZIAQDTJ-UHFFFAOYSA-N 331.803 2.971 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CCCO1 172250147 OVLRPQRZDDRXNK-HOTGVXAUSA-N 347.459 2.723 0 50 EFAA CCCc1nc(CN(CC)C(=O)[C@@H]2CC(=O)c3ccccc32)no1 55167359 PGTGLXXTLLGABZ-CQSZACIVSA-N 327.384 2.741 0 50 EFAA CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 54992104 GMPLOOLHAGMQNY-OAHLLOKOSA-N 332.469 2.945 0 50 EFAA CC[C@@H]1CN(C(=O)c2ncc(OC)cn2)c2cccc(Cl)c2O1 346380814 FYGGVBDPORYKSP-SNVBAGLBSA-N 333.775 2.956 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 248420593 XFSVFNMUKQPNDS-WFTWPBCJSA-N 339.382 2.804 0 50 EFAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC[C@@H]1c1ccccn1 65405101 GRSOXPNTQMGZAE-GOSISDBHSA-N 348.406 2.614 0 50 EFAA C[C@@]1(O)CCN(C(=O)CCCN2CCCC2)C[C@@H]1Cc1ccccc1 67757531 FRTUZOHCFHMILI-PZJWPPBQSA-N 344.499 2.705 0 50 EFAA COc1c([C@H]2CCCN2C[C@@H](O)c2cccc(F)c2)c(C)nn1C 229510842 IBGOKVHHYVHKMS-HZPDHXFCSA-N 333.407 2.747 0 50 EFAA C[C@@H]1OC[C@@H]2ON(C)[C@@H](c3ccc(Br)cc3)[C@@H]2CO1 229791543 HMRKPBWOSADXRR-VZLIPTOUSA-N 328.206 2.745 0 50 EFAA CCOc1cc2c(cc1CN1CCC3(CC1)CNC(=O)C3)CCC2 65384244 VHMKUAKGZVINNL-UHFFFAOYSA-N 328.456 2.676 0 50 EFAA O=C(Nc1ccc(Br)cn1)N[C@@H](CO)c1ccccc1 121689718 UVCRBFGHNNZGFS-LBPRGKRZSA-N 336.189 2.699 0 50 EFAA CC(C)N(CCSc1ccccc1)C(=O)[C@@H]1CCCN1C(N)=O 63856889 HSVUPBCPWUKVBZ-HNNXBMFYSA-N 335.473 2.559 0 50 EFAA Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CC[C@@](C)(O)C1 253397793 AZVPBAPNNBKANQ-GOSISDBHSA-N 333.432 2.968 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2nc3cc(F)ccc3o2)cn1 328614597 ALVDVEKPWZQLTI-WBMJQRKESA-N 343.362 3.455 0 50 EFAA CC[C@@H](O)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 253415251 RUWMEWJZVCGBOC-AEFFLSMTSA-N 329.396 2.680 0 50 EFAA Cc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2=O)cc1 72158869 WCCWSBUZVHBHFO-UHFFFAOYSA-N 334.423 2.716 0 50 EFAA CCCn1c(C)nnc1SCC(=O)Nc1cccnc1Cl 6400264 DXAJQFUFJPUQKY-UHFFFAOYSA-N 325.825 2.776 0 50 EFAA Cc1[nH]c(C=O)cc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 253407910 OOTRMGDHSVINLQ-CYBMUJFWSA-N 331.441 2.716 0 50 EFAA COc1ccc(CN2CCCN(C)C[C@H]2C)cc1CN1CCCC1 216281199 WJZTVUNWRSNRMV-QGZVFWFLSA-N 331.504 2.817 0 50 EFAA Cc1nnc(N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2ccccc12 219931519 XMHRATQYKXHWFM-IAGOWNOFSA-N 336.395 2.982 0 50 EFAA COc1cc2nc([C@@H]3COc4ccccc4O3)nc(O)c2cc1OC 365986822 HISDEJRUPJAMSK-INIZCTEOSA-N 340.335 2.865 0 50 EFAA Fc1cc(F)cc([C@@H]2CN(c3cnccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72173789 GZYLFGLVHNAJMN-QXAKKESOSA-N 342.393 2.821 0 50 EFAA COC(=O)C1=NOC2(CCN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)CC2)C1 155919382 KFHPKOKAVQTQND-LSDHHAIUSA-N 348.443 2.513 0 50 EFAA Cc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)[nH]n1 77425153 KBBQQVWERVCAOI-LJQANCHMSA-N 346.475 2.609 0 50 EFAA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCc2ccc[nH]2)c1 378395233 LLKBIJURWQQILE-SFHVURJKSA-N 339.439 2.943 0 50 EFAA Cc1nc(CCC(=O)N2CC[C@H](C(=O)O)C2)oc1-c1ccccc1 237624803 VWMADCDLQIFGJI-AWEZNQCLSA-N 328.368 2.516 0 50 EFAA CCOc1ccccc1C(=O)N1CCC(C)(c2nc(C)no2)CC1 378583068 YBGVVQPGLYGEQQ-UHFFFAOYSA-N 329.400 2.971 0 50 EFAA CO[C@@H]1CCN(C(=O)NCCc2ccc3c[nH]nc3c2)CC1(C)C 458756110 IIXBBPUQAVWSQO-MRXNPFEDSA-N 330.432 2.562 0 50 EFAA Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1nc(N)n(C)n1 284256858 LVGZTOUPOSNRMC-OAHLLOKOSA-N 338.415 2.698 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 237996723 XNLHNGCVRLMSRK-CYBMUJFWSA-N 345.374 2.871 0 50 EFAA Cc1onc(C2CC2)c1C(=O)NCc1cccnc1OCC(F)F 450305965 BRFWXFQIQYOMBQ-UHFFFAOYSA-N 337.326 2.829 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 238074854 GQPJQLMSYUXZBO-MDZLAQPJSA-N 327.302 2.885 0 50 EFAA COc1ccccc1OC(C)(C)C(=O)N1CCO[C@@H](C(F)(F)F)C1 71755490 AWJVVMSDUMDIFZ-CYBMUJFWSA-N 347.333 2.642 0 50 EFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2sccc2C)cn1 219142503 BZYCTGFOXAWRPM-CABCVRRESA-N 332.425 2.726 0 50 EFAA COC(=O)[C@H]1CC12CCN(C(=O)Nc1cnc(C(C)(C)C)nc1)CC2 241409011 NDVCBPZNKNZVAS-CYBMUJFWSA-N 346.431 2.581 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cnc3cnccn23)C1 131406348 WAEFRRZLDFTIQA-KBPBESRZSA-N 345.447 2.655 0 50 EFAA CCc1nc(=NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)o[nH]1 455599506 UHQMWCQESYVRTD-JTQLQIEISA-N 328.294 2.869 0 50 EFAA COc1cccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 226818698 FBFPDUXJKXFIOE-ZDUSSCGKSA-N 341.429 2.906 0 50 EFAA NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 178526477 ZSFACQQWNBGIFD-NSHDSACASA-N 331.243 2.960 0 50 EFAA Cc1nc(O)cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3C)C2)n1 222933722 ILVDKXLGKHGWBI-HNNXBMFYSA-N 343.402 2.887 0 50 EFAA CC(=O)N[C@@H]1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)C1 426634308 PNHGANSTURPLJD-GFCCVEGCSA-N 344.242 2.722 0 50 EFAA Cc1cccc(-c2noc(CNS(=O)(=O)c3cccs3)n2)c1 41152820 BDXSJZPKXMAKLQ-UHFFFAOYSA-N 335.410 2.585 0 50 EFAA COc1cc(OC)c(C(=O)N[C@@H]2COC3(CCCCC3)C2)cc1OC 426370272 COQYRRPCPBGSCP-ZDUSSCGKSA-N 349.427 2.934 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc(CN(C)C)o2)C1 82097470 IJKMWFMNSWTOKV-UHFFFAOYSA-N 328.412 2.861 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)o1 82135818 JDFSOSHMYRXGEC-HNNXBMFYSA-N 329.400 2.762 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(Cc2ccc(OC)cc2)C1 91694277 ZOAHGVIWBCKBCA-KRWDZBQOSA-N 329.444 2.918 0 50 EFAA COc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 239432910 WWHFQRGCCRXFNB-OLMNPRSZSA-N 342.439 2.982 0 50 EFAA COc1ccc2c(c1)[C@H](C)N(C(=O)c1cnc(C3CC3)nc1O)CC2 426496756 AZMOFFPLLUKAOY-NSHDSACASA-N 339.395 2.828 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@@H]2O 91986342 AYFHNPGMPJSTFQ-KRWDZBQOSA-N 335.419 2.681 0 50 EFAA Cc1cc(CN2CCN(Cc3ccccc3)C[C@H](O)C2)ccc1F 95501348 CTTRXWWDOUUWLN-IBGZPJMESA-N 328.431 2.813 0 50 EFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1cc[nH]c1C 95507335 OVOCUADMNCMRPW-UHFFFAOYSA-N 346.519 2.591 0 50 EFAA COc1ccc2c(C)c(C(=O)NC[C@H](O)c3ccccn3)oc2c1 91644915 IKLZDFIOMKCUGO-HNNXBMFYSA-N 326.352 2.608 0 50 EFAA C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1nccs1 180334302 GKCRGLFEYWFAKV-ZDUSSCGKSA-N 345.472 2.815 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1C)CC2 91381406 BMNJQEBNYZHFPX-UHFFFAOYSA-N 343.471 2.929 0 50 EFAA CCc1nsc(NCCS(=O)(=O)c2ccc(Cl)cc2)n1 180994957 IONOQEYMTDHTTA-UHFFFAOYSA-N 331.850 2.640 0 50 EFAA CSCc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)cs1 91663012 LOWIAZVIHFDFRK-CYBMUJFWSA-N 348.493 2.916 0 50 EFAA O=C(O)[C@]12CN(Cc3ccc(Cl)o3)C[C@H]1CN(CC1CCC1)C2 96140986 CCWQWUQPHOIVHH-CXAGYDPISA-N 338.835 2.552 0 50 EFAA CCCn1cnnc1CN(C)CC(=O)Nc1ccc(Cl)c(C)c1 244659854 HJWQBXUMQJPPLF-UHFFFAOYSA-N 335.839 2.720 0 50 EFAA Cc1nccn1CCN1CCC([C@H](O)CCc2ccccc2)CC1 244674029 IABNDGBVMPKKIY-HXUWFJFHSA-N 327.472 2.897 0 50 EFAA COc1cc2cc(C(=O)Nc3n[nH]c(C(C)C)n3)[nH]c2cc1OC 253412073 PTZCDUKFMPOVFQ-UHFFFAOYSA-N 329.360 2.679 0 50 EFAA Cc1cc(C)nc(CN(C)CCC(=O)NCc2ccccc2F)c1 252500048 SMKMSWDVVXVEEY-UHFFFAOYSA-N 329.419 2.976 0 50 EFAA CCc1nc(C)c(C(=O)NCc2ccccc2CN2CCCC2=O)o1 293000536 NSOUOSUCTKRIRJ-UHFFFAOYSA-N 341.411 2.598 0 50 EFAA CC(C)(Oc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1 299759581 UUASILPJWOPDBV-UHFFFAOYSA-N 348.512 2.884 0 50 EFAA Cc1ccc(NC(=O)NC2CCN(c3cnccn3)CC2)c(F)c1 299774502 CYZVAWZLMZSCQQ-UHFFFAOYSA-N 329.379 2.715 0 50 EFAA CCC(=O)Nc1cc(NC(=O)N2CCCO[C@@H](C)C2)ccc1OC 299797727 OSYCVQSBLLVDLU-LBPRGKRZSA-N 335.404 2.686 0 50 EFAA CC(C)c1nc(CNC(=O)COCC(F)(F)C(F)F)cs1 299774230 AIPXTCNTYIKOOM-UHFFFAOYSA-N 328.331 2.800 0 50 EFAA Cc1ccc(C)c(-n2nc(-c3ccco3)nc2CCn2nnnc2C)c1 825163913 HRCUGMPHQSYBJF-UHFFFAOYSA-N 349.398 2.682 0 50 EFAA Cc1ncsc1CCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 828062000 VQOFJPDFAWOTCT-JTQLQIEISA-N 330.413 2.952 0 50 EFAA C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1ccc(Oc2ccccn2)cc1 1875277865 KVWWNFBDOQJXBS-DOMZBBRYSA-N 326.352 2.809 0 50 EFAA CCCN(c1cc(C(F)(F)F)[nH]n1)S(=O)(=O)c1cncc(C)c1 1875280024 QIVKWEWPNFPFOM-UHFFFAOYSA-N 348.350 2.737 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(C3OCCO3)c2)C1 1875279609 OURKNDPYOHLUQB-INIZCTEOSA-N 348.443 2.831 0 50 EFAA Cc1ncsc1CN[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 699697063 SEADTDHVVHHDPK-YPMHNXCESA-N 341.477 2.566 0 50 EFAA Cc1oncc1C(=O)NC1([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C)CC1 1875335645 ATSADERXRHJGIZ-BJJXKVORSA-N 345.443 2.673 0 50 EFAA CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)OC1CCCC1 952992625 QKIHAIAQPJWONE-SNVBAGLBSA-N 346.353 2.914 0 50 EFAA O=C(NC1(c2ccccc2F)COC1)c1ccc2c(c1)OCCCO2 886637293 OFOSUBVHRNINKV-UHFFFAOYSA-N 343.354 2.643 0 50 EFAA CO[C@@]1(c2nnc(-c3cc4ccc(F)cc4nc3C)o2)CCOC1 886085164 AFGNBLPAHSNHNK-KRWDZBQOSA-N 329.331 2.994 0 50 EFAA CCN1C(=O)C[C@@H](CN[C@@H](C)c2cncc(F)c2)[C@@H]1c1cccnc1 886080040 PRBYKSLNEHWEMF-AXHNFQJDSA-N 342.418 2.876 0 50 EFAA O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cccc(CN2CCCCC2)c1 891044002 XYQDIQGWTYTMRY-RTBURBONSA-N 328.456 2.827 0 50 EFAA O=C(N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)C1CC1 1775988453 BZOXAKYIXZAPHO-NEPJUHHUSA-N 336.317 2.728 0 50 EFAA O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)Nc1ccccc1 1424647378 AOELQATZHRNRKD-JTQLQIEISA-N 339.321 2.725 0 50 EFAA Cc1cc(C)c(C(=O)NCc2cccc(N3CCOCC3)n2)c(C)c1 274822080 BULRXZNSHFCRAG-UHFFFAOYSA-N 339.439 2.773 0 50 EFAA C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC1(O)CCOCC1 186661526 WWNFBWSCKVZCSQ-MAUKXSAKSA-N 346.471 2.883 0 50 EFAA COC(=O)CCN(CC(C)C)C(=O)C[C@@H]1OCCc2ccsc21 170621040 YKZQGVCDTCESAL-AWEZNQCLSA-N 339.457 2.800 0 50 EFAA CN(C[C@@H]1CCCO1)C(=O)c1ccc(OCc2ccccc2)nc1 170857519 ULZJXKQVAYIVPT-KRWDZBQOSA-N 326.396 2.912 0 50 EFAA Cc1cc([C@@H](C)NC(=O)[C@H]2COCCN2CC(F)F)c(C)s1 187231293 LLNNCULNYNUUBY-ZWNOBZJWSA-N 332.416 2.508 0 50 EFAA CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Cc1n[nH]c2c1CCCC2 188422982 AYVKLSCYPBUIBG-UHFFFAOYSA-N 349.438 2.880 0 50 EFAA Cc1cccc(CCNC(=O)c2cc(C)nc3c2cnn3C(C)C)n1 225399564 GUJMIIFZBQQBAN-UHFFFAOYSA-N 337.427 2.997 0 50 EFAA CC1(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)CCN(Cc2ccccc2)CC1 191481266 GXYCVUIMJFLRNM-FGTMMUONSA-N 328.456 2.725 0 50 EFAA CC(C)(C)N1CCC(NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 194286038 OQRGZBFRARSKLN-UHFFFAOYSA-N 329.444 2.564 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)CN1C(=O)COc2ccccc21 198829880 VYCGKDVGVCFFAS-LBPRGKRZSA-N 330.409 2.693 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nc(C(F)(F)F)no1 1506420870 BINXLSBVABXPII-UHFFFAOYSA-N 329.257 2.736 0 50 EFAA COc1ccc(/C=C/CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1529133367 JTIYPTBOUVCVDH-RNRGVFSRSA-N 328.456 2.503 0 50 EFAA CCCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 212064652 IDNDVEFRXBAUFS-OALUTQOASA-N 330.472 2.926 0 50 EFAA CCc1noc(C)c1C(=O)N1CCO[C@H](Cc2ccc(OC)cc2)C1 12429625 RPQYCANVCGFNJO-MRXNPFEDSA-N 344.411 2.638 0 50 EFAA O=C(NCCCn1ccnc1)c1ccc(CN2CCCCC2)cc1 13681838 OUODXKGXRZMENO-UHFFFAOYSA-N 326.444 2.689 0 50 EFAA CC(C)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 14998489 WTYGIOYZNGHEPW-UHFFFAOYSA-N 336.436 2.675 0 50 EFAA O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 18115934 ZRLKKUJPUWYEKS-INIZCTEOSA-N 346.789 2.943 0 50 EFAA Cc1cc(N2C[C@@H]3CCOC[C@]3(CO)C2)c2cc(F)cc(F)c2n1 1857669192 XMQPIWJCRZWRCA-KPZWWZAWSA-N 334.366 2.657 0 50 EFAA CC[C@@]12COC(=O)N1CCN(c1ncnc3sc(C)c(C)c13)C2 1857672306 QGIREJKPATTXKI-MRXNPFEDSA-N 332.429 2.729 0 50 EFAA Cc1nc(-c2cccc(N3CCCC3=O)c2)n([C@@H]2CCCC[C@H]2O)n1 1857677929 FPJJARVLGVCBKU-IAGOWNOFSA-N 340.427 2.856 0 50 EFAA C[C@H]1CN(Cc2nc(-c3ccco3)no2)CCN1c1ccc(F)cn1 1857707414 RHKPXVLRIJWOEV-LBPRGKRZSA-N 343.362 2.574 0 50 EFAA N=c1[nH]c2cc(C(=O)NC[C@H]3COc4ccccc4C3)ccc2s1 1857735372 AVZBHELNARDZOX-NSHDSACASA-N 339.420 2.690 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 110707068 LMAPJRAQJGHAOZ-STQMWFEESA-N 340.345 2.546 0 50 EFAA CC(=O)N[C@@H](CC(=O)NC[C@H]1C[C@H](C)O[C@H](C)C1)c1cccs1 330523887 TZQWVEWAVJUCLT-NEBZKDRISA-N 338.473 2.635 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 237661501 WHTZAFCGUKYLKO-QGZVFWFLSA-N 348.399 2.810 0 50 EFAA Cc1cccc(N(C)C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)n1 933014690 ZXRFONVCXRTSMQ-UHFFFAOYSA-N 349.316 2.967 0 50 EFAA CN1CC[C@]2(CCN(C(=O)Nc3cccc(-c4ccon4)c3)C2)C1 933786554 RBTVSYGKBIIDHY-SFHVURJKSA-N 326.400 2.901 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 934760856 LDWCLMKLXQQFES-ICSRJNTNSA-N 325.408 2.851 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccc2c(c1)ncn2C 858008467 SMRCQKUPMRSSMS-MAUKXSAKSA-N 339.443 2.564 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc2sc(=N)[nH]c12 2100539652 RSMRBVMKKZRQCW-WVKUQDAKSA-N 345.468 2.639 0 50 EFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC1CCCC1 18324609 NNDLJUCSSZQYJV-UHFFFAOYSA-N 329.425 2.588 0 50 EFAA Cc1c(Br)cncc1N1C(=O)NC2(CC(C)(C)C2)C1=O 2325773437 YPOYTUWBSXWXPD-UHFFFAOYSA-N 338.205 2.768 0 50 EFAA O=C(N[C@@H]1CCC12CCC2)[C@H]1CCCN(c2ccc(Cl)nn2)C1 2325783208 CQBRICRNEIYSPU-QWHCGFSZSA-N 334.851 2.795 0 50 EFAA O[C@H](CN1CCC[C@@H]1Cc1cc2ccccc2o1)Cn1cccn1 2325790938 YYNMCOXGCHWSFB-IAGOWNOFSA-N 325.412 2.697 0 50 EFAA CC(=O)N[C@H](C(=O)OCCCN1CCCc2ccccc21)C(C)C 2325827042 SZBWVPQSVAUWDB-SFHVURJKSA-N 332.444 2.533 0 50 EFAA CNC(=O)c1ccsc1NC(=O)N1CCC[C@@H]1c1ccncc1 1477081221 IJBKPCDYFIZFKI-CYBMUJFWSA-N 330.413 2.872 0 50 EFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 187177 PLTREOZVCGOFCP-SNVBAGLBSA-N 328.755 2.963 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 581989 CXNPTWLUNSEKLS-NSHDSACASA-N 344.864 2.553 0 50 EFAA CCS(=O)(=O)[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 3122223 VHVTVWBOLAJKJN-JTQLQIEISA-N 344.647 2.547 0 50 EFAA COc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 4450266 HDZBVPRSLNUJBA-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F 4988191 LCFJBTULOWEWFH-UHFFFAOYSA-N 328.453 2.722 0 50 EFAA O=C1[C@H](N2CCCC[C@H]2c2nccs2)CCN1CC(F)(F)F 111211424 CCRYSYXDVYDTER-WDEREUQCSA-N 333.379 2.833 0 50 EFAA O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 9576924 MOWLMMLSXMMHMZ-UHFFFAOYSA-N 347.378 2.692 0 50 EFAA COC(=O)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 55142186 PYCZYCIJBQPNJI-UHFFFAOYSA-N 328.387 2.935 0 50 EFAA Cc1cc(=O)n2ccn(Cc3ccccc3OCC(F)(F)F)c2n1 419097788 BDXCWEBWUOPHCC-UHFFFAOYSA-N 337.301 2.794 0 50 EFAA Cc1ccc(NC2(C(=O)NCCCN3CCOCC3)CCCC2)cc1 55283158 NIMUYIJIOXZALK-UHFFFAOYSA-N 345.487 2.558 0 50 EFAA CCOC(=O)N1CCN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 20912022 PNODSPGPACEOQV-UHFFFAOYSA-N 342.443 2.968 0 50 EFAA CC1(C)CCc2nc(CNCC3(CS(C)(=O)=O)CC3)sc2C1 121291850 OHLQTJAVZNUTIV-UHFFFAOYSA-N 342.530 2.572 0 50 EFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CC[C@H]2CCCC[C@H]21 252503702 VFUGJPHKNADEFH-FVQBIDKESA-N 348.468 2.879 0 50 EFAA Cc1nn(C)c(C)c1OCC(=O)N1CCCCC[C@@H]1c1cccn1C 121930650 UCZREWQPRIGFNF-QGZVFWFLSA-N 344.459 2.898 0 50 EFAA CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 67339046 ABWNENUNMMEJQY-UHFFFAOYSA-N 348.399 2.543 0 50 EFAA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCCOCC1 282322782 OVSLRJAPZLRGIS-GFCCVEGCSA-N 337.363 2.861 0 50 EFAA O=C(N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1)c1ccc[nH]1 253430347 QLWQCASSJNQTBP-GFCCVEGCSA-N 335.289 2.671 0 50 EFAA Cc1nc2c(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cccc2o1 253421019 OKRSZZPNHOLRCH-YVEFUNNKSA-N 332.425 2.921 0 50 EFAA Cc1csc(CCNC(=O)CC2(n3cccc3)CCOCC2)n1 218340001 CWCIQFQZSLKTDN-UHFFFAOYSA-N 333.457 2.508 0 50 EFAA COC[C@@H](NC(=O)c1cc(CN(C)C)on1)c1cccc(Cl)c1 356589849 ASBDWODXTZDWIH-OAHLLOKOSA-N 337.807 2.507 0 50 EFAA Cc1nn(-c2ccccc2)cc1CN1CCN(Cc2cccnc2)CC1 182054898 CXDMLZOKHAKBJE-UHFFFAOYSA-N 347.466 2.894 0 50 EFAA NC(=O)Nc1cccc(C(=O)N2CC(Oc3ccccc3Cl)C2)c1 152336662 YPCUUBUKNKVFPA-UHFFFAOYSA-N 345.786 2.734 0 50 EFAA COC(=O)[C@H](NCc1cnc2ncccn12)c1ccc2ccccc2c1 154648178 YNVMOKKNQNJRLO-GOSISDBHSA-N 346.390 2.886 0 50 EFAA CN1C(=O)CC[C@@H]1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 367887882 UWSFWMMDVUALCF-QGZVFWFLSA-N 343.402 2.634 0 50 EFAA CCC1(CNC(=O)NC[C@H]2COC3(CCOCC3)O2)CCCCC1 370071003 FEFZZANINAOFMT-HNNXBMFYSA-N 340.464 2.568 0 50 EFAA C[C@@H](Nc1ncnc2c1CCNCC2)c1nc2c(s1)CCCC2 72427361 NFIFRKVKZGZGQW-LLVKDONJSA-N 329.473 2.673 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ncccc1O 218850849 RSAQQGUDPHKKIK-LEHRNKBSSA-N 349.390 2.577 0 50 EFAA Oc1nc(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)nc2ccccc12 343229275 YGBKTAYTHVFSOP-CZUORRHYSA-N 325.343 2.787 0 50 EFAA O=C(C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1)c1cccnc1 71615177 RWGBBDIPKTZFAC-QGZVFWFLSA-N 338.407 2.984 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@@H]2C1 71714766 UBRIPVIFQDZBEF-SJORKVTESA-N 326.440 2.952 0 50 EFAA O=C(O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 238033679 ZJMOAHTWIFJIEY-UHFFFAOYSA-N 333.775 2.667 0 50 EFAA COc1cccc2c(N3CCC[C@@H]3[C@@H]3COCC[C@@]3(C)O)ccnc12 284585491 OJBHZRHVZMJAHJ-XAUMDUMWSA-N 342.439 3.000 0 50 EFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2ncc[nH]2)C1 77338793 RMNHJSGPTMTKTD-INIZCTEOSA-N 335.411 2.674 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)c3ccc4ncsc4c3)CC2)OC1=O 72150776 ZFEKDLIKYRRKQA-KRWDZBQOSA-N 345.424 2.743 0 50 EFAA O=C(O)CC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 263229976 BSABLBYOWNFYAS-UHFFFAOYSA-N 341.367 2.596 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)c1cn[nH]c1 339828249 STNGNTNBPXMEPQ-DYVFJYSZSA-N 330.407 2.781 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)Cn1c(C)nc2ccccc21 177149665 JWQHQWJOINFJHZ-MRXNPFEDSA-N 337.427 2.541 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2cccn3nc(C)nc23)c1 426530572 UPTLPSGVNDZBMG-ZDUSSCGKSA-N 338.415 2.836 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1 426361652 FBMOPKHLYNDBON-IOMDMTNGSA-N 325.412 2.861 0 50 EFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4ccccc4O)c(=O)n1c23 199908545 UOIZSJRNEWTNKQ-SNVBAGLBSA-N 336.347 2.782 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[C@@H]1CCCOC1 193029764 OBZISGYQDZKJKM-HNNXBMFYSA-N 330.428 2.986 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)CCc2nc(Cl)n[nH]2)c1 82162261 HQPOUZGJWVEZCA-CYBMUJFWSA-N 334.807 2.763 0 50 EFAA Cc1cc(C(=O)NCCSc2nc3ccccc3o2)c(=O)[nH]c1C 92003064 ADHGKXNVZLMGJF-UHFFFAOYSA-N 343.408 2.655 0 50 EFAA O=C(Nc1cccc(-c2cccc(F)c2)c1)N1C[C@@H](CO)[C@H](CO)C1 97696299 XTTAHZJAVLYZCE-HOTGVXAUSA-N 344.386 2.557 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)C3(c4ccccc4)CCCC3)C2)C1=O 91782509 KLCYZIYUGQGMKD-FQEVSTJZSA-N 340.467 2.969 0 50 EFAA Cc1cc(C)c2c(N[C@H]3CCOC4(CCOCC4)C3)ncnc2n1 95369031 LGMFXJQTFRZJAN-AWEZNQCLSA-N 328.416 2.782 0 50 EFAA Cc1ccc2nc(CCNC(=O)[C@@H]3COc4ccccc4C3)[nH]c2c1 95502625 KRECZMTZFRPGTJ-HNNXBMFYSA-N 335.407 2.781 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1CCCCN1C)nn2C 95368580 FFPZIWOSTBZALT-OAHLLOKOSA-N 328.460 2.762 0 50 EFAA CSCc1nc(CNC(=O)CC[C@@H]2CCCCN2C)cs1 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CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)c2ccsc2)C1 890372152 GQNVOTKTHTYVJU-UHFFFAOYSA-N 348.428 2.989 0 50 EFAA O=C(c1ccnc(-n2cccn2)c1)N1CCO[C@@H](c2ccccc2)CC1 1349703605 GPCPHMOULUQDBT-GOSISDBHSA-N 348.406 2.871 0 50 EFAA Cc1cc(C)n(Cc2cccc(NC(=O)CC(C)(C)C(=O)O)c2)n1 169987614 BNFSQLMMABGGKD-UHFFFAOYSA-N 329.400 2.988 0 50 EFAA CCc1oc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1C 170593752 ZLBXXAKOINWIIB-UHFFFAOYSA-N 339.189 2.864 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc(Cl)cn2)CC2(CCOCC2)O1 279129417 MMBCVJSTDDFJPO-NSHDSACASA-N 325.796 2.537 0 50 EFAA COc1ccccc1O[C@@H](C)CNC(=O)CC[C@H]1CCCCN1C 170614650 LQLLAQIJTKPIGD-JKSUJKDBSA-N 334.460 2.843 0 50 EFAA C[C@H](c1nc(-c2cc(Br)cs2)no1)S(C)(=O)=O 170604581 LVELJLWZUFEBED-RXMQYKEDSA-N 337.220 2.666 0 50 EFAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H](O)C1 170606475 YCRIAUDPRLDZKH-ZBFHGGJFSA-N 328.416 2.789 0 50 EFAA Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 188173836 BOIQWBIZGYDEAI-IBGZPJMESA-N 344.480 2.766 0 50 EFAA Nc1nccnc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 225389361 WAEDAHTXXQJTIF-UHFFFAOYSA-N 325.303 2.638 0 50 EFAA Cc1nnc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 195084783 MZXYLOWAYFMNFC-UHFFFAOYSA-N 342.424 2.936 0 50 EFAA Cc1cc(C)n(-c2ccc(C[S@@](=O)CCn3cccn3)cc2)n1 195562639 LWQYBZDOADRXFO-QHCPKHFHSA-N 328.441 2.635 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccc2cncn2c1 657489068 ZBVBIWGOZLDEOW-QFBILLFUSA-N 339.443 2.808 0 50 EFAA C[C@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1ccn(C)n1 661315902 UHMMASZETMTJNG-NSHDSACASA-N 332.379 2.661 0 50 EFAA Cc1nn(C)c2cc(NC[C@@H]3CCO[C@H]3c3nccn3C)ccc12 668183050 VJAAJEPBPKHRQZ-SUMWQHHRSA-N 325.416 2.805 0 50 EFAA O=C(Nc1ncc(CCO)s1)c1ccn(-c2ccc(Cl)cc2)n1 673542842 ZDEFNWLTBHBNCH-UHFFFAOYSA-N 348.815 2.769 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@H]1CCCN(c2ccccn2)C1 1506423128 SPZLTHRYXNVLHX-HNNXBMFYSA-N 344.484 2.764 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)c2c(C)[nH]c(C(=O)O)c2C)cc1 1529174991 ZIIXLCLKRABGJO-UHFFFAOYSA-N 344.411 2.663 0 50 EFAA Cc1cc(N2CCC[C@](CO)(CN(C)C)C2)nc2cc(F)ccc12 1529099598 CFMVGBFNZWYINI-IBGZPJMESA-N 331.435 2.823 0 50 EFAA Cc1ccc(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)c(=O)n1C 1529142739 SDKKQVDEXMSJGO-CQSZACIVSA-N 336.395 2.752 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc(OC(F)(F)F)c1 1772710792 SIUQGNHKMSFMOA-AAEUAGOBSA-N 328.334 2.780 0 50 EFAA Cc1nccnc1N1CCCN(C(=O)c2ccc3ncccc3c2)CC1 1772808869 DDFTUQXIYCEMTK-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNC1CCCCC1 15076291 QBASEYLTPGJZNT-FQEVSTJZSA-N 330.472 2.505 0 50 EFAA CCc1nc(C[C@@H]2CCCN(c3nc4ncccc4o3)C2)n(CC)n1 1857674674 SNNRPIFFZFITQT-ZDUSSCGKSA-N 340.431 2.856 0 50 EFAA O=C(O)c1cc2c(s1)CCOC21CCN(Cc2ccncc2)CC1 1857689840 ZICXQZQVUHIJFK-UHFFFAOYSA-N 344.436 2.905 0 50 EFAA Cc1ocnc1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)c(F)c1 225484363 WDRBUWNFJLTEIR-LLVKDONJSA-N 326.711 2.721 0 50 EFAA Clc1cnccc1CSc1nnnn1-c1ccc2c(c1)OCO2 330033336 ZLPOROVHOOJTTH-UHFFFAOYSA-N 347.787 2.732 0 50 EFAA CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 125121460 KQFMAPTUCIUYLL-ONGXEEELSA-N 335.878 2.829 0 50 EFAA CC[C@@H]1CN(C(=O)c2c(O)cnc3ccccc23)CCN1CC(F)F 133621438 ZLZPYOCYRJCOCH-GFCCVEGCSA-N 349.381 2.742 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2)n1 136506975 KFIKGTUNEHEAQP-KRWDZBQOSA-N 341.411 2.628 0 50 EFAA COc1cc(OC)nc(N2C[C@H](c3ccccc3C)OC[C@@H]2C)n1 672231364 RYVZOEKNDVFODJ-DZGCQCFKSA-N 329.400 2.769 0 50 EFAA Cc1c(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cnn1C 363661463 RJIMEPUGOWZYEF-ZDUSSCGKSA-N 332.835 2.638 0 50 EFAA CCOc1ccc(Br)c(C(=O)Nc2n[nH]c(C)n2)c1F 931905599 MEFCBZQXAJTOHR-UHFFFAOYSA-N 343.156 2.666 0 50 EFAA COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1OC 105679 NDPUDTFFDWEXRR-UHFFFAOYSA-N 339.189 2.968 0 50 EFAA C[C@@H](NCCn1cnc2ccccc2c1=O)c1ccnc(Cl)c1 2325742664 XDHDCGLQSLHKJT-GFCCVEGCSA-N 328.803 2.796 0 50 EFAA N[C@@H](CC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)O 2325774634 FLWRQVXDSAPMAY-QWHCGFSZSA-N 344.333 2.561 0 50 EFAA C[C@H]1CN(c2ccccc2CNC[C@@H]2CCCc3nccn32)CCO1 2325779520 LEBBDQVAFCIAAW-WMZOPIPTSA-N 340.471 2.775 0 50 EFAA O=C(c1cc([C@@H]2CCNC2)[nH]n1)N1CC[C@H](c2cccc(Cl)c2)C1 2325788926 TXBFDRBDAYGCQX-KGLIPLIRSA-N 344.846 2.770 0 50 EFAA Clc1ccc(OCc2nc(CN3C[C@@H]4C[C@H](C3)N4)cs2)cc1 2325799804 YRYUZLYOMOIIEH-BETUJISGSA-N 335.860 2.922 0 50 EFAA CC(C)c1ccc(/C=C/CC(=O)Nc2cn(C)c(=O)nc2O)cc1 2325802190 ODECPFJRONMIES-SNAWJCMRSA-N 327.384 2.651 0 50 EFAA Cc1nc2cc(-c3cccc(-c4cc[nH]c(=N)n4)c3)ccc2c(=O)n1C 2325821214 VPUKTQGEDFOKBL-UHFFFAOYSA-N 343.390 2.778 0 50 EFAA Cc1nc(C)c(CNC(=O)c2cn3cccc(C(F)(F)F)c3n2)[nH]1 2325822696 JMVKEPXKUAVENE-UHFFFAOYSA-N 337.305 2.623 0 50 EFAA CN(Cc1ccc([S@](C)=O)cc1)C1=NC[C@H](c2ccccc2)N1 2325863563 NYEFPFHSPRZENU-HXOBKFHXSA-N 327.453 2.556 0 50 EFAA Cc1nc(-c2cccs2)ccc1C(=O)N(C)C[C@@H](C)c1nnn[nH]1 124259415 ZPDQIVNCXHSZPF-SNVBAGLBSA-N 342.428 2.507 0 50 EFAA O=C(Cc1ccccc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 302371 IBKROSLURNUKDB-DOMZBBRYSA-N 326.318 2.868 0 50 EFAA CCOc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 370650 LXKKIAGNHIHPKH-UHFFFAOYSA-N 333.413 2.804 0 50 EFAA O=C(Cc1cccc2ccccc12)NC(=S)NC[C@H]1CCCO1 617028 PELZAXWWGFYVPZ-OAHLLOKOSA-N 328.437 2.552 0 50 EFAA O=C(CCc1ccccc1)NC(=S)NCc1ccc2c(c1)OCO2 1126129 AQNAUXLAJWUGAA-UHFFFAOYSA-N 342.420 2.539 0 50 EFAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)c1ccccc1 1230491 VDCYTIVGJJHLSQ-UHFFFAOYSA-N 338.388 2.913 0 50 EFAA CC(C)[C@H](NCC[C@@H](O)c1ccc(Br)cc1)C(=O)O 2862292 SVTQKESHECKABS-OLZOCXBDSA-N 330.222 2.571 0 50 EFAA C[C@@H](Oc1ccc(F)cc1F)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356164711 DGWVGWIEBOIUPD-ZZVYKPCYSA-N 325.355 2.637 0 50 EFAA COc1ccc(CCNC(=O)c2cccc(OC(C)=O)c2)cc1OC 4842005 SEYXUPKTOXNRSC-UHFFFAOYSA-N 343.379 2.602 0 50 EFAA Cc1cc(C)cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 6725870 IBERMLPRMZCGNK-UHFFFAOYSA-N 327.384 2.886 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2C)c1 225715194 IJHVOMAVHKBOJS-DOTOQJQBSA-N 347.436 2.500 0 50 EFAA Cc1ccc(OCCN(C)Cc2cccc(OCC(N)=O)c2)c(C)c1 55325244 ANMDIOHBHUNGQP-UHFFFAOYSA-N 342.439 2.678 0 50 EFAA O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cnn(-c2cccnc2)c1 346077934 BNNKQQWFEOLFEC-RBUKOAKNSA-N 348.406 2.917 0 50 EFAA CCn1c([C@@H]2CCCN(Cc3ccc(OC)c(C)c3C)C2)n[nH]c1=O 67755022 QHLZGEMXSKRSQT-MRXNPFEDSA-N 344.459 2.596 0 50 EFAA Cc1nnnn1CCc1nc(C(C)C)nn1-c1ccccc1Cl 65387176 CPPOPAOACCHRHT-UHFFFAOYSA-N 331.811 2.582 0 50 EFAA Cn1ccc(-c2noc(C3CC(O)(C4CCCCC4)C3)n2)cc1=O 351264292 OTJAPVDVLHPRCC-UHFFFAOYSA-N 329.400 2.624 0 50 EFAA COc1nn(C)cc1N[C@H](C)c1nc(O)c2c(C)c(C)sc2n1 352904079 VHWNPIAKQYXTFI-MRVPVSSYSA-N 333.417 2.929 0 50 EFAA C[C@@H]1CCCC[C@H]1OCCN1CCN(C[C@@H](O)c2ccccc2)CC1 229372662 GIVOUAYTNYJUGK-HMXCVIKNSA-N 346.515 2.933 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccccc1-c1nc[nH]n1)C2 67880846 QVHFGWPXSSFMNW-UHFFFAOYSA-N 348.410 2.715 0 50 EFAA COc1cccc2c1OC[C@@H](CO)[C@H]2N(C)C(=O)Nc1ccccc1 153386 MCXCZEOAQWKEHI-CXAGYDPISA-N 342.395 2.901 0 50 EFAA CC[C@H](C)NC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 814963 QASBCKZFOOIPLI-ZANVPECISA-N 325.206 2.857 0 50 EFAA FC(F)c1nccnc1NCC1(CN2CCOCC2)CCCCC1 360993796 DRGSTXKDYFARKA-UHFFFAOYSA-N 340.418 3.109 0 50 EFAA O[C@H]1c2ccccc2C[C@H]1NCc1ccc(Cl)cc1-n1cncn1 253428856 NHBSXBXMSVEJDM-AEFFLSMTSA-N 340.814 2.669 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1OC 7405133 MDDWRACVQUGOLB-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA O=C(NCCN1CCCC1=O)c1cccc(N2Cc3ccccc3C2)c1 219254110 TZIZHAFCBZDDTC-UHFFFAOYSA-N 349.434 2.559 0 50 EFAA Cc1nc(C)c(CNS(=O)(=O)c2cc(F)c(C)cc2F)s1 122329000 SJGYLZDGVQRXQV-UHFFFAOYSA-N 332.397 2.825 0 50 EFAA C[C@H]1CC[C@@H](C)N1CCN1CCN(Cc2ccc(F)c(F)c2)CC1 154034625 NNRBATICDRCJAD-IYBDPMFKSA-N 337.458 2.955 0 50 EFAA Cc1ccsc1CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328638201 PBPFJACIDHTMOE-LBPRGKRZSA-N 332.429 2.669 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@@H]1CCCOC1 328621124 AGNQPOSBJJPGNZ-ILXRZTDVSA-N 340.464 2.546 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)Cc1cccc(C(F)(F)F)c1 214993286 QIGJMNLDNDOZSC-UHFFFAOYSA-N 325.334 2.947 0 50 EFAA Cn1ccnc1[C@H](NCc1nc2ccccc2n1C)C1CCOCC1 284798501 SAIMIIMTBZMGBQ-GOSISDBHSA-N 339.443 2.564 0 50 EFAA Cn1ccnc1[C@H]1CCCN(c2nccc3c2C(=O)OC3(C)C)C1 373056765 IMMICAWHOXCBME-LBPRGKRZSA-N 326.400 2.605 0 50 EFAA Cc1cccc2nc(C(=O)N3CC[C@H](c4ccccc4C(=O)O)C3)cn12 72167361 XNUIKONTYMXMMJ-AWEZNQCLSA-N 349.390 2.971 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@H](C)C1 77340630 DKAFKZOURCZPAK-OAHLLOKOSA-N 338.455 2.948 0 50 EFAA Cc1c(O)cccc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 72147156 NGHHBAZYXMSQGG-HNNXBMFYSA-N 330.428 2.612 0 50 EFAA O=C(NC1(C(=O)O)CCCCC1)c1ccc(OC2CCOCC2)cc1 262437099 NHVYHVPLVZPQCE-UHFFFAOYSA-N 347.411 2.762 0 50 EFAA COc1ccc(C(C)(C)C(=O)N2CCO[C@H](C3CC3)C2)cc1OC 375325980 BQHHJFYQNNRFEZ-KRWDZBQOSA-N 333.428 2.619 0 50 EFAA O=C(NCCc1cn2c(n1)SCC2)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 332927675 MUYHPWUGSLJMLB-NZBFACKJSA-N 346.500 2.655 0 50 EFAA O=C1CCC(CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)=NN1 217545082 HBEGOLSAROUYAL-LBPRGKRZSA-N 333.819 2.702 0 50 EFAA CCCCOC(=O)N1CCOC[C@H]1CC(=O)Nc1ccc(F)cc1 72423566 GIKFPJFDCGVUIO-OAHLLOKOSA-N 338.379 2.792 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 241588485 PDOOLWJMFILIML-HOTGVXAUSA-N 345.393 2.696 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H]1CCO[C@H]1c1ccccc1 241739099 QZYZUKMRZPRQCS-XDNAFOTISA-N 337.485 2.710 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3ncoc3C)C2)cc1 77406102 JTBRYRCMHFDWTP-AWEZNQCLSA-N 330.384 2.923 0 50 EFAA CC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C 72120934 PEOZDYAEFZCFAQ-AWEZNQCLSA-N 348.414 2.722 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)CCc2c(C)noc2C)CC1 82156812 ALBOHCBISDBOER-UHFFFAOYSA-N 342.443 2.666 0 50 EFAA O=C(c1ccc(-c2cccc3c2OC(F)(F)O3)o1)N1CCOCC1 426727289 ARCQUYCOKGNFID-UHFFFAOYSA-N 337.278 2.741 0 50 EFAA CCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccco3)c2)CC1 222546109 LZYLCWBSBCVEPT-UHFFFAOYSA-N 341.411 2.870 0 50 EFAA Cc1ccn2c(F)c(C(=O)N(C)Cc3noc4c3CCCC4)nc2c1 426699885 HISSZYLIKHUZSH-UHFFFAOYSA-N 342.374 2.921 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2cccc3cccnc23)C[C@H]1c1ccccn1 91320756 PMLTWOZOAKRSAI-HZPDHXFCSA-N 347.374 2.570 0 50 EFAA CC(C)[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]42)[C@H]3O 238950229 XGAQUMCSJDAGHM-USZWEYKBSA-N 333.815 2.681 0 50 EFAA Cc1noc2ncc(C(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)cc12 292506028 XSJHVPZPAHIEJQ-LLVKDONJSA-N 343.305 2.713 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 237655667 JKSZLSSJRSYRHK-MRXNPFEDSA-N 333.775 2.667 0 50 EFAA COCc1nc(C)cc(NCCc2cc(C(F)(F)F)ccn2)n1 292800928 NIXZLVQWRVHPFD-UHFFFAOYSA-N 326.322 3.000 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)c1nc2ccccn2c1F 91595947 IFQXDXURBSXYMB-UHFFFAOYSA-N 330.388 2.739 0 50 EFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1C[C@@H]2CC[C@H]1CNC2 97759299 BMDCXCYKRQATRZ-KGLIPLIRSA-N 341.411 2.626 0 50 EFAA CCn1cncc1CN1CCC2(CC1)CC(=O)N(CC=C(C)C)C2 91505565 WYYRRHKBQUUAFF-UHFFFAOYSA-N 330.476 2.684 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N2CCC[C@@H]2c2nccs2)CC1 92065357 DUHJKBRWJIAUAV-OAHLLOKOSA-N 347.484 2.845 0 50 EFAA COc1cc2c(cc1C(=O)N1CCC(c3nccn3C)CC1)CCC2 91505889 BYKACHQFFWGQTB-UHFFFAOYSA-N 339.439 2.937 0 50 EFAA Cc1c(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)n(C)c2ccccc12 91391419 NQSKQVZDRPOUEB-FQEVSTJZSA-N 339.439 2.571 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1 91691335 JSARIVYFNVJBBK-IBGZPJMESA-N 342.487 2.960 0 50 EFAA Cc1ccc(SCCCN(C)C(=O)CCc2nncn2C)cc1 97674158 YXQRYLDONGLJJT-UHFFFAOYSA-N 332.473 2.697 0 50 EFAA CCc1nc2ccccc2n1CCC(=O)NCC1(COC)CCC1 252497523 QJVCWXLJTLWWNO-UHFFFAOYSA-N 329.444 2.922 0 50 EFAA Cc1ccnn1-c1ccccc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1 184541139 SEUBDRPQLZEBAW-CQSZACIVSA-N 336.399 2.583 0 50 EFAA CCCCOc1ccc(S(=O)(=O)n2cncn2)c2ccccc12 261490577 KLIQVESDVPTZBH-UHFFFAOYSA-N 331.397 2.847 0 50 EFAA O=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(-n2cnnc2)n1 670455654 GKWYTADNGUFNIM-SFHVURJKSA-N 345.362 2.775 0 50 EFAA CC(=O)N1CCC[C@](O)(CC(=O)OCc2cccc(C(C)C)c2)C1 1875267566 LSRMNWHAVQXFFW-IBGZPJMESA-N 333.428 2.617 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CC3CCOCC3)C3CCC3)n[nH]c21 1875396783 AZHRTQLTXVVQBB-OLZOCXBDSA-N 347.459 2.853 0 50 EFAA Fc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2nc3cccnc3[nH]2)cc1 1875337678 ZDQCYTJHPIITSL-GOSISDBHSA-N 348.385 2.968 0 50 EFAA O=C(O)c1ncoc1C1CCN(C(=O)C2CC(=C3CCC3)C2)CC1 1875310867 FMDFLHGLVIWCQZ-UHFFFAOYSA-N 330.384 2.969 0 50 EFAA CCc1cnc(CN(C)C[C@@H](O)c2cc(Br)no2)s1 878160747 FKQMIJBSBHSYIA-SECBINFHSA-N 346.250 2.621 0 50 EFAA O=C([C@@H]1CCc2nncn2CC1)N1CCCCC[C@H]1c1ccco1 879026572 UZYLQNPJXPAZGO-CABCVRRESA-N 328.416 2.968 0 50 EFAA Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888076325 ZTILYCPBXUWHEV-AEFFLSMTSA-N 343.427 2.723 0 50 EFAA COc1ccc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)c(Cl)c1 890155140 IKUMYISFNIJUPG-QGZVFWFLSA-N 349.818 2.518 0 50 EFAA CNC(=O)c1cc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)ccn1 892291916 SNKFXHIHWOCDCS-MRXNPFEDSA-N 349.793 2.812 0 50 EFAA COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cccn2C)n1C 1773812557 RDMNCZUOPPFLGM-CQSZACIVSA-N 329.400 2.518 0 50 EFAA O=C1CN(C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2N1 16607253 VOQYTUJQKRKBDI-UHFFFAOYSA-N 349.434 2.884 0 50 EFAA CC(C)CN(C(=O)c1cc(-c2ccn(C)n2)on1)c1ccc(F)cn1 1338955477 FKQJFNAUQHBPFF-UHFFFAOYSA-N 343.362 2.912 0 50 EFAA CCC[C@]1(CO)CCN(Cc2ccc3cc(O)ccc3c2)C[C@H]1O 1529195714 NXBYCEUYWNWYAU-WOJBJXKFSA-N 329.440 2.891 0 50 EFAA CS[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 186096062 VWSMUISOQUHWNL-ONGXEEELSA-N 346.374 2.678 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(C(=O)C[C@@H]2CSCCS2)C1 170081715 PUAPTCCJTCTSJY-ZIAGYGMSSA-N 345.530 2.805 0 50 EFAA Cc1cnn([C@H]2CCN(C(=O)c3ccc(C)c(-c4cnn(C)c4)c3)C2)c1 633147358 ALIOCQMFRHSTOR-SFHVURJKSA-N 349.438 2.988 0 50 EFAA C[C@@H]1CN(Cc2ccccc2Br)C[C@]2(CCOC2)O1 280122944 BUUXQBQGMTVKSY-DOMZBBRYSA-N 326.234 2.829 0 50 EFAA CCSCc1ccccc1C(=O)N1CC[S@](=O)C[C@@H](C)C1 280106663 MZWLUHVKWXCJAT-ZSEKCTLFSA-N 325.499 2.780 0 50 EFAA CCCN(CC1CC1)C(=O)c1cc2ncc(Br)cn2n1 636585740 GYKKCGJDTCJURV-UHFFFAOYSA-N 337.221 2.754 0 50 EFAA Cc1ncc(CN2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)s1 110943638 DXADOFDWXXXTSL-CQSZACIVSA-N 345.468 2.563 0 50 EFAA Brc1ccc(CN2CCC(Nc3cccnn3)CC2)o1 191334298 NHKDMHXTEVGWPT-UHFFFAOYSA-N 337.221 2.909 0 50 EFAA O=C(O)[C@H](C1CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 656760485 VLGBQYMVTSJNLW-AWEZNQCLSA-N 329.227 2.979 0 50 EFAA CC(C)(C(=O)O)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCOC3)C1 659144453 HOCWBEDQRYLGND-INIZCTEOSA-N 331.412 2.722 0 50 EFAA CN(C)c1nc2c(c(N3CCC[C@@H](Cn4ccnc4)C3)n1)CCCC2 1529152431 SZSNNAVCGPLQTF-HNNXBMFYSA-N 340.475 2.535 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC(C)(C)CC(C)C)OCC(=O)N1C 1529155764 ZRWYGRZKECUIGO-MSOLQXFVSA-N 346.471 2.834 0 50 EFAA COc1cnc(N2CCC([C@@H](O)CCc3ccccc3)CC2)nc1 1529190407 IPKWBHFKADGAFJ-SFHVURJKSA-N 327.428 2.695 0 50 EFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC2CC2)ccc1F 1704329179 OONQTKHGTJXTLL-UHFFFAOYSA-N 333.363 2.695 0 50 EFAA Cc1cc(N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)nc2ccccc12 1616072950 MAEOHVJMPBCRJH-XLIONFOSSA-N 340.423 2.985 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CCSCc1ccccc1 1772709568 OHAZXBZYCRMKSH-GDBMZVCRSA-N 332.469 2.532 0 50 EFAA CC[C@@H](C(=O)O)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1 1772811957 CLGBPBFKTKDPSI-SFHVURJKSA-N 340.423 2.851 0 50 EFAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1ccccc1 14881373 PIOVFYJLYSVBKM-LJQANCHMSA-N 326.396 2.568 0 50 EFAA CCNc1ncnc2sc(C(=O)NCc3cc(C)no3)c(C)c12 14993760 QKJFXENSXBGCTA-UHFFFAOYSA-N 331.401 2.658 0 50 EFAA CSCCC(=O)NC[C@@H]1Cc2cc(-c3cccnc3)ccc2O1 15008416 ZPTANWFNNLVVHZ-INIZCTEOSA-N 328.437 2.921 0 50 EFAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccn2)CC1 18254332 UCHKLYVKCMEIHU-UHFFFAOYSA-N 340.471 2.882 0 50 EFAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)O)ccc2C)C1 120252476 DQGVVOYQSJBISX-WFASDCNBSA-N 346.427 2.916 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cnn(C(C)C)c2C)c1 331580683 LAIAEYRWXIAWAO-YJBOKZPZSA-N 343.427 2.729 0 50 EFAA Fc1cccnc1N1CC[C@@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1 127652613 BEUMSVYVPZQWGF-NVXWUHKLSA-N 337.402 2.902 0 50 EFAA Cc1nn(-c2ccc(C(=O)N[C@@H]3C[C@H]3C)cc2)c(C)c1CCC(=O)O 237452362 YAICJQKKQGQRAS-PIGZYNQJSA-N 341.411 2.645 0 50 EFAA O=C(O)CCN(C(=O)c1cc2cc(F)ccc2o1)C1CCOCC1 238077738 IWSVVMJXRHQWMX-UHFFFAOYSA-N 335.331 2.668 0 50 EFAA CCc1noc(CC)c1CNC[C@@H]1CCCO[C@H]1c1ccnn1C 657396284 IXWQPGRELGCSRN-SCLBCKFNSA-N 332.448 2.790 0 50 EFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](c2ncc[nH]2)C1 263903668 GKLBAEVRBCNAMD-MSOLQXFVSA-N 338.455 2.780 0 50 EFAA O=C(O)CC[C@@H]1C[C@H](C(=O)N2CCC(c3ccccc3F)CC2)CO1 901776880 XWGRPJLSPAVXMT-LSDHHAIUSA-N 349.402 2.802 0 50 EFAA Cc1nccc(NC(=O)c2nc(C(C)C)ncc2Br)n1 903456394 KGUXHJJMSUWLKH-UHFFFAOYSA-N 336.193 2.713 0 50 EFAA C[C@@]1(c2nc(-c3ccc(-c4ccccc4)nc3)no2)CCNC(=O)C1 904095829 KDWRUVMDVWUEFC-LJQANCHMSA-N 334.379 2.966 0 50 EFAA Cc1ncsc1CN1CCC2(CC1)CNC(=O)c1ccccc1O2 932053845 FMVDPEXXHOSEHJ-UHFFFAOYSA-N 343.452 2.609 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 170048397 KUFUYBQQCLPPES-MWLCHTKSSA-N 329.213 2.788 0 50 EFAA CCC(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 82799 XEJLGOPQNHBUPP-UHFFFAOYSA-N 344.392 2.587 0 50 EFAA Cc1cc2c(c(SCC(=O)N(C)Cc3ccccc3)n1)OC(=O)C2 1422522 YVXQHFQNFLLTNW-UHFFFAOYSA-N 342.420 2.602 0 50 EFAA CN(C[C@H]1CCNC1)C(=O)Cc1cc(-c2ccccc2Cl)on1 2325789428 PJJDSMGHGOHTSK-LBPRGKRZSA-N 333.819 2.605 0 50 EFAA COc1ccc(-n2cccn2)cc1CN[C@H]1CCc2n[nH]c(C)c2C1 2325798431 BTZRQXPWNQJYBZ-HNNXBMFYSA-N 337.427 2.560 0 50 EFAA COc1cncc(/C=C/CCOC(=O)[C@]2(CC(C)C)CCNC2=O)c1 869735946 PWWAJDQYMXKWFS-OQBYNLHGSA-N 346.427 2.589 0 50 EFAA COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 44332 XSEQFOPIESHRPL-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA O=C(CNC(=O)c1ccco1)OCc1ccc(Br)cc1 216658 YPXGZTWAPZAIAE-UHFFFAOYSA-N 338.157 2.515 0 50 EFAA COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 390225 LNHBQLWAQSNUSW-UHFFFAOYSA-N 348.362 2.951 0 50 EFAA COc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 463205 MWUAZNQPGOXHCW-UHFFFAOYSA-N 325.320 2.819 0 50 EFAA biogenic CCN1Cc2nnc(CCc3ccc(O)cc3)n2[C@@H](CC(C)C)C1=O 2356155816 NVEDDBGXONOYEG-INIZCTEOSA-N 342.443 2.718 0 50 EFAA COc1cc2c(cc1-c1ccc(C(=O)N3CCCC3)cn1)OCO2 2356163938 XROFIWKGMKLQLS-UHFFFAOYSA-N 326.352 2.722 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)N2CCCc3ccccc32)c1 10112446 SSWMBAIOHACNHB-UHFFFAOYSA-N 330.409 2.651 0 50 EFAA CC(C)(O)c1ccc(CNc2cc(N3CCSCC3)ncn2)cc1 225487109 YSDCWYJNAGUODH-UHFFFAOYSA-N 344.484 2.869 0 50 EFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 10156557 LZYWFOCWOKVXTM-CYBMUJFWSA-N 342.468 2.511 0 50 EFAA COc1ccccc1OCc1nn2c(-c3ccccn3)nnc2s1 10312409 IXRXJNJUKHYVIP-UHFFFAOYSA-N 339.380 2.835 0 50 EFAA C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccccc1 8642568 FBLJEDPGYDQXTF-GFCCVEGCSA-N 339.420 2.893 0 50 EFAA aggregator,biogenic,in-vitro CC(=O)Nc1ccc(OCc2nnnn2-c2ccc(Cl)cc2)cc1 9305050 SBAFGMJLDRYDPY-UHFFFAOYSA-N 343.774 2.853 0 50 EFAA O=C(CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F)NC1CCCC1 55568689 WCLORMRCZGCQTD-HNNXBMFYSA-N 343.349 2.640 0 50 EFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 101898702 GBVVZBXNFXCAPP-UDVXPWBQSA-N 325.364 2.897 0 50 EFAA O=C(NCCCc1nc2ccccc2o1)c1c[nH]c(=O)c(Cl)c1 67446894 PCCCXZXPPIHEHD-UHFFFAOYSA-N 331.759 2.532 0 50 EFAA COc1ccc(-n2nc(C)nc2[C@@H](C)Cn2nc(C)nc2C)cc1 65384923 JATHRROHFWDELG-NSHDSACASA-N 326.404 2.596 0 50 EFAA CN1CCN(CCOCCOc2c(Cl)cccc2Cl)CC1 22171357 YBXOWEGMXKQPAP-UHFFFAOYSA-N 333.259 2.636 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)Cc3cnc4ccccc4c3)C2)n1 118777837 PMAORKPQUQUCNG-MRXNPFEDSA-N 336.395 2.875 0 50 EFAA OCCn1cc(C2=CCN(CCOc3ccc(Cl)cc3)CC2)cn1 65494438 WEWQDCVAEAOWLS-UHFFFAOYSA-N 347.846 2.697 0 50 EFAA Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1C 73305957 SVZCPETWILCJQS-UHFFFAOYSA-N 339.439 2.985 0 50 EFAA CC1CCN(Cc2ccc(C(=O)N3CCC[C@@]4(CCNC4)C3)o2)CC1 67946443 QEXPQPIYUCEXKU-FQEVSTJZSA-N 345.487 2.727 0 50 EFAA CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2nnc(S)o2)cc1 124182889 MYNDZWAPOCVVPW-AWEZNQCLSA-N 347.440 2.912 0 50 EFAA CCOc1c(OC)cccc1[C@H]1SCC(=O)Nc2[nH]nc(C)c21 21788398 RELQEPFCJUVKOD-OAHLLOKOSA-N 333.413 2.900 0 50 EFAA C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](Cn2cncn2)C1 229475897 JNVULCCGPRBEGB-HUUCEWRRSA-N 338.415 2.801 0 50 EFAA O=C([C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C1)N1CCCC1 229810731 LKUANGZKKYPHQU-KZNAEPCWSA-N 326.440 2.651 0 50 EFAA Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 230142234 UXTBCWFTWQOGEH-NPONBVRISA-N 332.492 2.533 0 50 EFAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)NCc3cccs3)CC[C@H]21 72420341 KYTDFJDIFCQKND-GOEBONIOSA-N 349.500 2.927 0 50 EFAA CCCc1nnc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)o1 71775899 AMWBMSCLWBKYNG-UHFFFAOYSA-N 328.416 2.601 0 50 EFAA Cc1cccc([C@H](O)CNC(=O)c2cnc(-c3ccccc3)nc2)c1 153285300 NICRTJUMAGSKSX-GOSISDBHSA-N 333.391 2.915 0 50 EFAA CCc1ccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)o1 39363281 IUBRZHRSZSDCEK-GOSISDBHSA-N 343.471 2.614 0 50 EFAA O=C(c1cn[nH]c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 122308451 UCEHHDVSSQDCJO-MRVPVSSYSA-N 330.335 2.905 0 50 EFAA O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc2c[nH]nc2c1 362794675 NUGZPCDEPFSAFK-UHFFFAOYSA-N 334.379 2.871 0 50 EFAA CCc1cc(O)nc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 328625184 CXEMVUGGCZMFHP-MRXNPFEDSA-N 341.459 2.694 0 50 EFAA Cc1cn2c(CNC[C@@H]3CCO[C@H]3c3ccnn3C)c(C)nc2s1 328625315 CYZMBHWYQJKTKG-XJKSGUPXSA-N 345.472 2.614 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)NCCc1nnc2n1CCCCC2 155083897 YZXWYEJAOWNJSF-UHFFFAOYSA-N 344.419 2.543 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)o1 370295617 WULLOIXPMQIKQC-RDTXWAMCSA-N 328.412 2.679 0 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Cc1cc(CN2C[C@@H](C)[C@H](C(N)=O)C2)nc(-c2ccc(Cl)cc2)n1 286101094 IJGGETRILIGPOT-BDJLRTHQSA-N 344.846 2.659 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cnn1C 286368812 SAFRHAICNLZWBP-CQSZACIVSA-N 329.404 2.746 0 50 EFAA COc1ccc(CN2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)cc1O 82120419 WUEKVGBJLGOVNK-HNNXBMFYSA-N 340.423 2.947 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(Cl)cc1OCC(F)F 288806103 ZSVHVYYBGLJVQV-JTQLQIEISA-N 346.761 2.981 0 50 EFAA CN1CCC[C@@H](CNC(=O)N2CCSCC2)[C@H]1c1cccs1 246117614 IEMZZBDWMIWYLU-ZFWWWQNUSA-N 339.530 2.889 0 50 EFAA CN(C)C(=O)c1cccc(CNC(=O)c2ccoc2C(F)(F)F)c1 289770369 ZUNCUQQKHSOPGM-UHFFFAOYSA-N 340.301 2.930 0 50 EFAA COc1ccc(NC(=O)c2nnc3ccccc3n2)c2cccnc12 225557290 IABSUOJIUBBPPJ-UHFFFAOYSA-N 331.335 2.834 0 50 EFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1cnc2ccccn12 426618451 XLSPIBZNYPKITR-OAHLLOKOSA-N 339.399 2.986 0 50 EFAA Cc1nc(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc(=O)[nH]1 82136971 SMZUNDJGURCXGP-UHFFFAOYSA-N 349.793 2.891 0 50 EFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cccc(OC)c2OC)C1 91593726 HVJCYVIGHHBCRU-SFHVURJKSA-N 335.400 2.811 0 50 EFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccccc1 239165325 NYFTUQKVWQQNEP-UOVPBQLFSA-N 342.391 2.804 0 50 EFAA Cc1nc(-c2nc([C@@H]3COCCO3)n(-c3ccc(F)cc3)n2)cs1 96135724 SVGFMJGMIMSEKZ-AWEZNQCLSA-N 346.387 2.926 0 50 EFAA CCCn1ccnc1CN1C[C@@H](C(=O)O)[C@H](c2cccc(OC)c2)C1 91439910 KHAJEZFNCDASBS-DLBZAZTESA-N 343.427 2.602 0 50 EFAA Cc1ccccc1CN(C)C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 294303432 XFDCSPOVTZYQHR-NXHRZFHOSA-N 344.455 2.671 0 50 EFAA COCCN1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 97785339 YQUKZZQMGZSIFN-HXUWFJFHSA-N 338.451 2.938 0 50 EFAA CN1CCCN(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 180658804 QSRXYACKCWRFKI-MRXNPFEDSA-N 347.459 2.804 0 50 EFAA CCc1cccc(C)c1N1C[C@H](c2nc(-c3cccnn3)no2)CC1=O 95529549 ALEBEKLXGVCNBV-CQSZACIVSA-N 349.394 2.918 0 50 EFAA O=C(Nc1nccc2sccc12)[C@@H]1CSCN1C(=O)C1CCC1 162662284 HODXMUSWJQQZSZ-LBPRGKRZSA-N 347.465 2.936 0 50 EFAA 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Cc1cccc(O[C@H](C(=O)NCCCn2ccccc2=O)C(C)C)c1 670451097 WIPFOPGFMFAWKD-IBGZPJMESA-N 342.439 2.767 0 50 EFAA C[C@H](NC(=O)C1(Cn2ccnc2)CC1)c1ccccc1-n1cccn1 670452020 IIKYAUNXJMDUMF-HNNXBMFYSA-N 335.411 2.726 0 50 EFAA C[C@@H](NC(=O)N[C@H](C)c1ccnn1C)c1ccc(C(F)(F)F)nc1 873094592 FGUTXCSHDWIGKS-NXEZZACHSA-N 341.337 2.955 0 50 EFAA C[C@H](Nc1ccc(S(C)(=O)=O)cn1)c1cc(F)ccc1N(C)C 1875275967 WHAHTOUMFFDYDX-NSHDSACASA-N 337.420 2.863 0 50 EFAA Cc1cc(=O)c2cc(NC(=O)c3ccc4c(c3)NC(=O)CC4)ccc2[nH]1 1875362371 BZNSMINCZZBALV-UHFFFAOYSA-N 347.374 2.974 0 50 EFAA CN(C)C/C=C/C(=O)N(C)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 1875377099 SCEKHRAOXNOELE-MUBLQREKSA-N 347.409 2.880 0 50 EFAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC[C@@]2(CCCOC2)C1 1875311152 OQBAILUZIOBGTE-HNNXBMFYSA-N 343.349 2.880 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)O2)c2[nH]cnc2c1 1875319274 VSUSBDSBLMELDV-KGLIPLIRSA-N 345.399 2.699 0 50 EFAA COc1ccc(F)cc1COC(=O)c1nnc(O)c2ccccc12 952961875 QNVFBAVZZQZKPU-UHFFFAOYSA-N 328.299 2.840 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)C[C@@H](C)n1ccnc1C)OCCO2 952868843 HVUYSJFAVVDYQI-LLVKDONJSA-N 343.383 2.755 0 50 EFAA Cc1oc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)cc1CO 885662152 OWPXKBJVVWOUSU-AWEZNQCLSA-N 331.368 2.927 0 50 EFAA CCN1CCO[C@@H](CNc2nccc(C)c2Cl)[C@@H]1c1ccnn1C 886079596 GCTWTJCTFKPOCW-HOCLYGCPSA-N 349.866 2.651 0 50 EFAA Cc1cc([C@@H](C)NC(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(C)s1 1365305504 ZOTXBTBXUPGPRF-HYSWKAIVSA-N 335.473 2.926 0 50 EFAA CC[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)[C@H](O)C(F)(F)F 276818821 DCZKNIDIVBKFCF-DYEKYZERSA-N 331.334 2.630 0 50 EFAA Cc1ccc(-c2nnc(CCC(=O)NCCCOC(C)C)o2)cc1 170594140 VKALWKAJCRXCMI-UHFFFAOYSA-N 331.416 2.909 0 50 EFAA CCc1noc(CC)c1CC(=O)NCc1cc(COC(C)(C)C)on1 170600829 BKOFUGVHCPGVFY-UHFFFAOYSA-N 349.431 2.961 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H](CSc2nnnn2C2CC2)C1 170620908 CTMIDBGVAPOOON-NSHDSACASA-N 339.465 2.747 0 50 EFAA Cc1cc(NC(=O)CN[C@@H]2CCC[C@H]2Cc2ccccc2)n(C)n1 170607294 SZTPVVQREQEVGU-DLBZAZTESA-N 326.444 2.668 0 50 EFAA O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(CCn2ccnc2)C1 280530644 SJCAGUWYQFZMOC-DOMZBBRYSA-N 325.334 2.710 0 50 EFAA O=C(COc1ccc(F)c(Cl)c1)N1CC[C@@H](N2CCCC2)C1 171442426 AOKKECHYQWHYKA-GFCCVEGCSA-N 326.799 2.555 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@@H](C1CCC1)[C@H]1CCCO1 635519014 IJBWUJAZADVSJV-CVEARBPZSA-N 332.400 2.532 0 50 EFAA C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 637945076 APVDBJZSYPEFOG-YMXYOLSSSA-N 342.483 2.956 0 50 EFAA O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccco1 192024480 DILZWZQQUDITCT-DOTOQJQBSA-N 334.803 2.669 0 50 EFAA CC(C)n1cnnc1[C@H]1CCCN(c2cc(O)nc3cccnc23)C1 647868897 OXAOBFXMGTWZMQ-ZDUSSCGKSA-N 338.415 2.892 0 50 EFAA O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1-n1ccnn1 193282105 QECQCGPHOWVPRP-INIZCTEOSA-N 334.335 2.508 0 50 EFAA C[C@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CCc2ccccc21 648718409 IDGNXOYNYWCBAO-NRFANRHFSA-N 335.451 2.630 0 50 EFAA CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(Cl)s2)c1 194716785 OEPROMDCSCYKJW-UHFFFAOYSA-N 343.857 2.876 0 50 EFAA COCCCNC(=O)C1CCN(c2ccnc3c(F)cccc23)CC1 195578542 CIDANDILBZAQDL-UHFFFAOYSA-N 345.418 2.743 0 50 EFAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1cn2c(n1)CCCC2 657342950 GUCHRPNBQKQYMK-HNAYVOBHSA-N 343.475 2.693 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1 1529168210 YCBZREMBUGOVLU-JTQLQIEISA-N 346.412 2.625 0 50 EFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c(O)c1 213461878 JYVWWGMAWJRNGH-HOTGVXAUSA-N 344.455 2.737 0 50 EFAA CCOc1ccc(Br)cc1CN(CC(=O)O)C1CC1 225449689 SEHYHWOJKRMUIW-UHFFFAOYSA-N 328.206 2.897 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(C)ccc3C)C[C@@H]21 1704333404 ZTCBYKAMSBTKSH-SOLBZPMBSA-N 337.485 2.865 0 50 EFAA CCCc1nc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)no1 1704339080 BUVLFPHUFMRTGY-RHSMWYFYSA-N 338.411 2.610 0 50 EFAA COc1cc(-c2onc(NC3CCN(C)CC3)c2C(=O)O)ccc1F 1704310040 WLGZGOJVSSJZAJ-UHFFFAOYSA-N 349.362 2.694 0 50 EFAA Cc1cc(OC(C)(C)C(=O)N2C[C@H](O)[C@@H](F)C2)cc(C)c1Cl 1616110804 FCZLKASQJGYSJE-STQMWFEESA-N 329.799 2.655 0 50 EFAA COc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1O 1772812414 ILWOYXCZNUADRX-UHFFFAOYSA-N 336.351 2.622 0 50 EFAA Cc1cnccc1CNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 11754089 GVUWEVMSEYHGFP-UHFFFAOYSA-N 341.802 2.613 0 50 EFAA O=C1C[C@@H](NCc2cccc(O)c2)CN1CCc1cccc(Cl)c1 12075755 XTDRRGLTGYLTPY-QGZVFWFLSA-N 344.842 2.979 0 50 EFAA O=C(c1cn(C2CCCCC2)nn1)N(CC1CC1)C[C@@H]1CCCO1 12572451 BUZFLYUPNDVMHI-INIZCTEOSA-N 332.448 2.815 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCC[C@@H]1C)C2 14958006 HTIMQIGUEUFHPG-WDEREUQCSA-N 349.456 2.638 0 50 EFAA CNC(=O)Cn1cc(-n2ccnc2-c2cccc(C(F)(F)F)c2)cn1 1857690812 MOVFFXLDJYPHKL-UHFFFAOYSA-N 349.316 2.501 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)COCc3ccccc3)CC2)O1 1857709258 OCWGTUHZLCQLKR-MSOLQXFVSA-N 347.455 2.514 0 50 EFAA O=C(Cc1cncn1Cc1ccccc1)N1CCC(c2ccn[nH]2)CC1 225804437 PDKIWPGCALPMRB-UHFFFAOYSA-N 349.438 2.603 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 229548175 SCYPLMVHSIMRFB-PVAVHDDUSA-N 325.412 2.859 0 50 EFAA COc1ccccc1N1CCN(C(=O)Nc2ccncc2C)CC1 121180977 ITORMXNKYIHZFS-UHFFFAOYSA-N 326.400 2.753 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 331802434 JSKCVLKYCDAZOZ-SNVBAGLBSA-N 326.322 2.787 0 50 EFAA CC(=O)N[C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C(C)C 241371309 MMJKTQHFMOSGNU-CFVMTHIKSA-N 342.361 2.838 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1 252489544 JTBTYRLOUWZELL-UHFFFAOYSA-N 330.409 2.854 0 50 EFAA COCCn1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1 252489336 JOLANKXHXAXLQI-JTQLQIEISA-N 334.342 2.724 0 50 EFAA CC[C@](NC(=O)[C@H](C)n1cccn1)(C(=O)O)c1ccc(Cl)cc1 262267327 YCMWVPSMJSAJPB-MEDUHNTESA-N 335.791 2.604 0 50 EFAA CC1(C)CC(NC(=O)c2ccc(OCC(F)F)nc2)CC(C)(C)N1 159843456 BLHQCOONSSCUMO-UHFFFAOYSA-N 341.402 2.765 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCOC[C@@H]1c1ccc(COC)o1 930574370 SUSIUXHTTYZGRU-CYBMUJFWSA-N 349.387 2.890 0 50 EFAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCn2c(cnc2C(F)(F)F)C1 834323043 LXPLPIZFZGTTAG-MRVPVSSYSA-N 342.321 2.653 0 50 EFAA C[C@@H](CNC(=O)c1cc(Cl)c(Cl)n1C)CC1(C)OCCO1 154359891 UJCSALYCFVBJRI-SECBINFHSA-N 335.231 2.851 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn([C@H]2CC2(F)F)[nH]1 2325781982 KMBYLKMGTAUCSK-VIFPVBQESA-N 327.722 2.886 0 50 EFAA Cc1cccc2cc(C(=O)N3CC[C@@H](NC(=O)[C@@H]4[C@@H](C)[C@H]4C)C3)[nH]c12 2325842663 DWQXHLPZAGKTEG-CXUGXGMPSA-N 339.439 2.709 0 50 EFAA C[C@H](N)c1nc(C(=O)N(C)Cc2cccc3ncccc23)cs1 2325858683 XFDGCEZITYAHNP-NSHDSACASA-N 326.425 2.983 0 50 EFAA NC(=O)c1ccccc1OCC(=O)c1ccc(Br)cc1 238068 MMOPIDSPFSNPKK-UHFFFAOYSA-N 334.169 2.810 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc4ccccc4[nH]3)C1)CC2 2356145303 KPACAOZPARCRNR-HXUWFJFHSA-N 347.422 2.782 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 6742436 ZYTSDKBXFBEUHB-VHSXEESVSA-N 325.386 2.754 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 225704344 NNALMRKFLCNDJW-WBVHZDCISA-N 334.460 2.827 0 50 EFAA COc1ccc(CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 9194147 GUONDERLMLGUEG-UHFFFAOYSA-N 337.379 2.913 0 50 EFAA 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CC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)c1ccc(F)cc1F 125756292 AXXYXCSLYURJOW-OAHLLOKOSA-N 345.411 2.890 0 50 EFAA CSc1ccc2c(c1)CCN(Cc1cccc(OCC(N)=O)c1)C2 215463574 GPHOFFHBGLYLFV-UHFFFAOYSA-N 342.464 2.831 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)CCc3cc(Cl)cs3)CCO2)o1 328609228 CMXMSAXYVKVTBZ-LBPRGKRZSA-N 341.820 2.626 0 50 EFAA Cn1cc(C[C@H]2CCN(C(=O)Nc3ccc(F)c(F)c3F)C2)cn1 363134065 BPVZWKQXRJLPMP-SNVBAGLBSA-N 338.333 2.934 0 50 EFAA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ncncc1Cl 366861573 BJNHWZSUPWPPHW-JTQLQIEISA-N 343.774 2.541 0 50 EFAA C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(-c2nnn[nH]2)cc1 156681297 KAUXGPOMJQYOCM-ZDUSSCGKSA-N 343.431 2.611 0 50 EFAA CNC[C@H]1CCCN(C(=O)CCN2c3ccccc3CC[C@@H]2C)C1 237325542 BYAFNTXGAJDRBD-DLBZAZTESA-N 329.488 2.676 0 50 EFAA Cc1ccc(-c2cnc(CCC(=O)N3CCC(C(=O)O)CC3)o2)cc1 237730073 WYSCSXWDKFJQDC-UHFFFAOYSA-N 342.395 2.906 0 50 EFAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](CC(F)(F)F)C(=O)O 262986866 NUTLJRQTCBPUID-JTQLQIEISA-N 342.273 2.785 0 50 EFAA 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O=C(c1ccc(N[C@@H]2CCc3ccccc3C2)nc1)N1CCOCC1 881763518 ZPAOYJJRDSOWCF-GOSISDBHSA-N 337.423 2.523 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@H](C)c2nccnc2C)cn1 886079910 CEHMBKQBCJGAER-RVKKMQEKSA-N 329.448 2.820 0 50 EFAA COCc1cc(C2CN(C(=O)[C@@H]3COc4cc(C)c(C)cc43)C2)no1 886085699 KTPIDCSSZKOYKY-MRXNPFEDSA-N 342.395 2.540 0 50 EFAA Cc1ncc([C@@H](C)NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)s1 896114336 YRARCHMFNAIEBW-NSODJVPESA-N 347.440 2.554 0 50 EFAA O=S(=O)(CC1CC2(CC2)C1)NC[C@H]1CCN(Cc2ccccc2)C1 1775994159 WMBSMXCEVJWQOP-QGZVFWFLSA-N 348.512 2.618 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)c1cccc(Nc2cnccn2)c1 1362266977 FDWDJYWTVDEGFA-INIZCTEOSA-N 326.400 2.909 0 50 EFAA CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)NC 1470352726 KMYNWRRPFXKWDG-OAGGEKHMSA-N 338.496 2.696 0 50 EFAA Cc1ccc(Br)c(C)c1C(=O)NC[C@@H](O)c1cccnc1 1470748835 WBIKEFSCDSVNRZ-CQSZACIVSA-N 349.228 2.924 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 186217674 XOZYNSIBPKYOAB-MRXNPFEDSA-N 333.819 2.823 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNc3cnc4cc(F)c(F)cc4n3)O2)n1 275542189 ZPSKAVGCYBTMLM-OTYXRUKQSA-N 347.325 2.932 0 50 EFAA O=C1CN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CN1CC1CC1 278669103 FTDGIWYKTAPXNA-UHFFFAOYSA-N 349.341 2.544 0 50 EFAA CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(CO)c(F)c2)C1 278744740 DXQMRCZCHSPZTE-AWEZNQCLSA-N 336.451 2.948 0 50 EFAA CN1Cc2ccc(NC(=O)C(=O)Nc3cnc4ccccc4c3)cc2C1 189410852 LCRXQJQQSFYTSG-UHFFFAOYSA-N 346.390 2.757 0 50 EFAA Cc1cc(CN(C)S(=O)(=O)c2cccc3c2OC(C)(C)C3)no1 192602780 ICZLHLTUIFEITC-UHFFFAOYSA-N 336.413 2.517 0 50 EFAA O=C1[C@@H](N[C@H](CCO)c2ccco2)CCCN1c1ccccc1F 192788099 BNMQCYKVKFCWQO-CABCVRRESA-N 332.375 2.627 0 50 EFAA CCC1(CC)CN(C(=O)c2ccncc2C(F)(F)F)CC[S@]1=O 193135895 UZUWHZKFSQYAFE-HSZRJFAPSA-N 348.390 2.864 0 50 EFAA O=c1cc(CO)occ1OCc1ccc(Br)c(F)c1 194649727 OKBYOAQUOGZVJQ-UHFFFAOYSA-N 329.121 2.613 0 50 EFAA COc1cccc([C@@H](OC)c2noc(CCn3cc(Cl)cn3)n2)c1 665071259 RYTRIOSWAUARTO-OAHLLOKOSA-N 348.790 2.907 0 50 EFAA COc1ccccc1OCC(=O)N1CCC[C@]2(CCC[C@H]2OC)C1 1704299509 SQHQSGUYTDOVOZ-IEBWSBKVSA-N 333.428 2.882 0 50 EFAA O=C([C@H]1CCOC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704339159 ONZOMLACOGABAY-AWEZNQCLSA-N 340.423 2.595 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 455981 AGTIDFLFFHSCNI-MDZDMXLPSA-N 344.392 2.983 0 50 EFAA C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(N)=O)C(Cl)=C(Cl)Cl 1233728 QHERVRWMFPILRD-FXQIFTODSA-N 326.607 2.871 0 50 EFAA O=C(N1C[C@@H]2COCC[C@]2(CO)C1)C1(c2ccc(Cl)cc2)CCC1 1772708503 DHFXEBUNGJJIDO-CRAIPNDOSA-N 349.858 2.619 0 50 EFAA CC1(C)CC(N2CCCN(C(=O)c3ccncc3)CC2)CC(C)(C)N1 1775976889 BLHPUJMUODHTHD-UHFFFAOYSA-N 344.503 2.539 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1onc2ncccc12 1775978833 WCFCSSJPEGJFIM-HNNXBMFYSA-N 333.351 2.591 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1cccc(CC(F)(F)F)c1 1772811188 UJSFLTCNVLRDKG-SWLSCSKDSA-N 326.362 2.987 0 50 EFAA COc1cc(CN2CCCN(C(=O)c3cscn3)CC2)ccc1F 1775981190 BAFKLYAPKDYAMD-UHFFFAOYSA-N 349.431 2.639 0 50 EFAA CC(C)(C)CN1CC[C@@H](C2CCN(C(=O)c3csnn3)CC2)C1 12023758 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C/C(=C\C(=O)N1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1)c1cccc(F)c1 855975524 HUMCIQVSQBUWAL-GYRNTIECSA-N 345.374 2.909 0 50 EFAA COC(=O)c1sc(C)cc1NC(=O)c1cc(C)nc2cc(C)nn12 857634333 IDBVSAMQPWWNRK-UHFFFAOYSA-N 344.396 2.755 0 50 EFAA COc1ccc(-n2ccnc2CN2CCN(C3CC3)C[C@H]2C)cc1 2100482180 CPJQIELDDVGWOZ-OAHLLOKOSA-N 326.444 2.549 0 50 EFAA CN[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 2325768767 JVRNKFSRDOXJML-INIZCTEOSA-N 336.357 2.893 0 50 EFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@H]([C@@H](O)c2ccccc2)C1 2325782949 PDLWYHGUDZPNAU-PXNSSMCTSA-N 346.471 2.511 0 50 EFAA O=C(O)[C@@]1(C2CCOCC2)CCN(Cc2cc3ncccc3s2)C1 2325788167 QNAIOYKLSBBXGO-SFHVURJKSA-N 346.452 3.000 0 50 EFAA Cc1cc(C)c2ccc(NC(=O)[C@@H]3CNc4cnn(C)c4C3)nc2c1 2325789234 GBJLXHUNYKQJAH-ZDUSSCGKSA-N 335.411 2.808 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)NCc1nc(C(F)(F)F)no1 889901303 WIQYVOLIDZNXGX-UHFFFAOYSA-N 349.696 2.745 0 50 EFAA COc1ccc2c(c1)OC(=O)CC21CC(=O)Oc2cc(OC)ccc21 82402 RXHSDADWLZWBMY-UHFFFAOYSA-N 340.331 2.608 0 50 EFAA 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O=C(Nc1ccc(C(=O)N2CCC([C@H]3CCOC3)CC2)cc1)C1CC1 363755948 PRRHORDQYJTLFO-KRWDZBQOSA-N 342.439 2.924 0 50 EFAA C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H](C)[C@H]1CCCO1 240534508 GOEBIVANAPHXJY-KLHDSHLOSA-N 342.480 2.558 0 50 EFAA CN1CCC[C@@H](CNc2nc3ccccc3n2C)[C@@H]1c1ccnn1C 284578381 GZSGCSPCFCNXJA-KBXCAEBGSA-N 338.459 2.802 0 50 EFAA O[C@H](CN1CCN(c2nccs2)CC1)c1cc2ccccc2o1 815014340 LDFAHMLGYDLLFT-CQSZACIVSA-N 329.425 2.745 0 50 EFAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cnc(C2OCCO2)s1 241401098 NBDVGDLXNAZJQG-NWANDNLSSA-N 342.420 2.647 0 50 EFAA C[C@@H]1CCN(C(=O)c2cnn([C@H]3CCCNC3)c2)c2c(O)cccc21 333254865 HQGHQAZOOCOVDP-HIFRSBDPSA-N 340.427 2.667 0 50 EFAA CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCCCO1 242155976 WUWBDSDDWDHEQZ-NHCUHLMSSA-N 346.515 2.933 0 50 EFAA Cc1cccnc1CN1CCN(c2noc(-c3ccccc3)n2)CC1 77302361 SRZIBDDCOFDYBC-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA CO[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 374658647 BNUOLHPEHBAQFD-MRXNPFEDSA-N 328.416 2.525 0 50 EFAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccccc1C(C)(F)F 455791157 OLZKIOIWMBQTGV-IUODEOHRSA-N 341.402 2.717 0 50 EFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1C 71762739 BNSUQQFPDQJFQN-NMWPEEMBSA-N 330.428 2.926 0 50 EFAA Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 174557706 HATFEQNGKXAWTJ-SECBINFHSA-N 346.399 2.787 0 50 EFAA COC[C@@H]1CCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 215166932 OITVEIKJGGMAHW-LJQANCHMSA-N 345.531 2.519 0 50 EFAA Nc1nc(CCCNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)cs1 214982055 CYZWLIFLHZKANE-UHFFFAOYSA-N 349.847 2.547 0 50 EFAA COCc1ccc(CN2C[C@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1 339201096 JCRWEBOGWLNQJL-CVEARBPZSA-N 344.377 2.864 0 50 EFAA Cc1cc(C(=O)N2CCC3(CCCO3)CC2)cc2sc(N)nc12 71415798 WAUMPJCDBRTJLW-UHFFFAOYSA-N 331.441 2.972 0 50 EFAA CC1(C)CCC[C@H]1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 174971925 YGLBJBWMDWYSPQ-CYBMUJFWSA-N 333.823 2.688 0 50 EFAA CN1C[C@]2(CCCN(C(=O)c3ccc4ncsc4c3)CC2)OC1=O 72150777 ZFEKDLIKYRRKQA-QGZVFWFLSA-N 345.424 2.743 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C 286439511 TXWYBHZOSUMTCR-IAOVAPTHSA-N 337.847 2.959 0 50 EFAA CSCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)o1 82107297 RCKAOYDDJHPVEV-UHFFFAOYSA-N 344.436 2.940 0 50 EFAA O=C(O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc2nncn2c1 263404906 KFWGUKSNZSLPEI-HNNXBMFYSA-N 344.415 2.663 0 50 EFAA CCNc1nc(C)c(C(=O)NCCc2nc3c(s2)CCC3)s1 223833647 AKSKJJASGSULTB-UHFFFAOYSA-N 336.486 2.801 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 263531589 MPOJASLSMQSOGD-OCCSQVGLSA-N 328.343 2.985 0 50 EFAA CN(Cc1cscn1)C(=O)CCCc1nc(-c2cccnc2)no1 426425469 QAZXBERJUYTDHG-UHFFFAOYSA-N 343.412 2.569 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCCO2 426632871 LFKQNQAMYNQBMD-QGZVFWFLSA-N 337.375 2.663 0 50 EFAA CNc1ncc(CN(C)C(=O)c2cc(C)nc3c(C)cccc23)cn1 82108443 IULLXBAMPVHMHV-UHFFFAOYSA-N 335.411 2.956 0 50 EFAA O=C(c1ccc(-c2ccc3c(c2)OCO3)cc1)N1CCC[C@H]1CO 426514883 QNFWPAYYIBAKDY-INIZCTEOSA-N 325.364 2.679 0 50 EFAA Cc1ccc([C@]2(C(=O)NCCSc3nc[nH]n3)CC2(C)C)cc1 426674164 IVCDMOTZCWBCKQ-KRWDZBQOSA-N 330.457 2.689 0 50 EFAA Cc1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nn1 91830751 MRBQYUHNGVZDQW-QGZVFWFLSA-N 334.427 2.809 0 50 EFAA C[C@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C(C)(C)CO1 180232919 MIYHPOZRNIQRSH-HNNXBMFYSA-N 346.475 2.510 0 50 EFAA C/C=C(\C)CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91643830 SXNOUPVTAGOPPI-CRKCGEKBSA-N 342.487 2.852 0 50 EFAA Cc1nc(CNC(=O)c2ccc(OC(C)(C)C)cn2)ccc1[C@@H](C)O 294372456 CDPMGJJJLLRJCQ-CYBMUJFWSA-N 343.427 2.946 0 50 EFAA CC(C)N1CCC[C@H](C(=O)NCCCc2nc3ccccc3n2C)C1 95527110 ZDYHLETWELXGKS-INIZCTEOSA-N 342.487 2.743 0 50 EFAA Cn1c(C(=O)NCCCC(=O)O)cc2cc(C(F)(F)F)ccc21 237859960 VTQPDFVUSJIOCR-UHFFFAOYSA-N 328.290 2.792 0 50 EFAA O=S1(=O)CC[C@H](c2csc(Nc3ccc4c(c3)OCO4)n2)C1 294917287 CAJGXNYESCQAKD-VIFPVBQESA-N 338.410 2.518 0 50 EFAA CSc1ccccc1CN1CCC2(CCC(=O)N(CCO)C2)CC1 91645113 ATZGAWIKCZHFEI-UHFFFAOYSA-N 348.512 2.605 0 50 EFAA COCCOc1ccccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 96151037 VWDKLKCEYDAVGE-UHFFFAOYSA-N 344.415 2.846 0 50 EFAA Cc1ccc2[nH]c(CN3CC(N4CCCC[C@@H]4C)C3)cc(=O)c2c1 91475599 ZZNBGDNTYVMBLV-HNNXBMFYSA-N 325.456 2.895 0 50 EFAA O=C(Nc1ccccc1OCc1ccccn1)NC1CCOCC1 95521019 RRYBEZPUXXXAKE-UHFFFAOYSA-N 327.384 2.961 0 50 EFAA O=C(O)CCN(C(=O)c1cc2c(s1)CCCC2)C1CCOCC1 238077364 GMPZYDJONVOIKJ-UHFFFAOYSA-N 337.441 2.723 0 50 EFAA CN(C)C1(CNC(=O)c2cc(Cl)cnc2O)CCCCCC1 534654325 BJMCFRKJNHHPEI-UHFFFAOYSA-N 325.840 2.825 0 50 EFAA Cc1nnc(CNC(=O)c2ccc(CN3CCC(C)CC3)o2)s1 299787212 SCLOPSPGOQSACA-UHFFFAOYSA-N 334.445 2.601 0 50 EFAA CCn1ccc2cc(CN3CC[C@H]4OCc5cnnn5[C@H]4C3)ccc21 299764920 WOLMOMCIWZDOQG-RBUKOAKNSA-N 337.427 2.599 0 50 EFAA O=C(NCCN1CCc2ccccc21)C1(N2CCCC2)CCCCC1 827661348 SDJNZILGIZGKFS-UHFFFAOYSA-N 341.499 2.964 0 50 EFAA COc1ccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc1 824693045 NQOXOIXDGAQGAY-UHFFFAOYSA-N 329.429 2.671 0 50 EFAA Cc1cccnc1CN(C)C(=O)NC[C@H]1CCN(C2CCCC2)C1 584904200 IWKICMCYCVEUIG-MRXNPFEDSA-N 330.476 2.796 0 50 EFAA COc1ccc(Cn2ncnc2[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 670472332 OGVDRCKDQXUEJS-ZNMIVQPWSA-N 330.432 2.505 0 50 EFAA O=C(c1c[nH]nc1[C@@H]1CCCO1)N1CC(Cc2ccc(F)c(F)c2)C1 866462531 QDTWBBODHYKIQE-INIZCTEOSA-N 347.365 2.854 0 50 EFAA C[C@H]1CN(C(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)CC(C)(C)O1 876618309 PZLJRCZOJVKLRD-GWCFXTLKSA-N 330.350 2.731 0 50 EFAA COc1ccccc1Cc1nc([C@H]2CCCN2)n(CC(F)(F)F)n1 952966212 CWYPRXIBLXNLBT-GFCCVEGCSA-N 340.349 2.864 0 50 EFAA O=C(O)C1([C@H]2CCN(S(=O)(=O)c3ccoc3)c3ccccc32)CC1 882790721 ISNRMJXZCLIVHM-AWEZNQCLSA-N 347.392 2.827 0 50 EFAA CCOC(=O)c1ncc(CNc2ccc(OC(F)F)nc2)s1 894284848 UARWJZWLGFZOOW-UHFFFAOYSA-N 329.328 2.928 0 50 EFAA Cc1cc(F)ccc1CN1CCCN(C(=O)[C@H]2CCCCN2C)CC1 981456572 CXNAEVOLXUSGNT-LJQANCHMSA-N 347.478 2.653 0 50 EFAA Cc1csc(SCC2CCN(C(=O)[C@@H](O)C3CCC3)CC2)n1 1775998439 CGVSLJSKDZGAEW-AWEZNQCLSA-N 340.514 2.943 0 50 EFAA CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)Cc1ccno1 1365029722 DKBZAFGJEBJXFM-UHFFFAOYSA-N 335.212 2.943 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2ncn[nH]2)cc1 186034133 XKENLIOOMQRVBZ-CVEARBPZSA-N 328.416 2.653 0 50 EFAA CC[C@@]1(CO)CCCN1C(=O)Nc1cn(C)nc1-c1ccccc1 275983237 FLNKSCKESSFODS-SFHVURJKSA-N 328.416 2.856 0 50 EFAA Nc1ncnc(N2CCC[C@@H]2Cn2cnc3ccccc32)c1Cl 277907871 UTSQMRKTVMLHBH-LLVKDONJSA-N 328.807 2.731 0 50 EFAA Cc1cccc(NC[C@@H]2CCN(c3nc4ccccc4c(=O)[nH]3)C2)n1 170610090 SWTGFECHMPHTJQ-AWEZNQCLSA-N 335.411 2.565 0 50 EFAA C[C@H](NC(=O)NCc1ccccc1CN1CCCC1)C1CCOCC1 170666797 YHUHDWWKQOMXAA-INIZCTEOSA-N 345.487 2.897 0 50 EFAA O=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccccc1-2 170620172 XRGFKHTXVLIXCI-UHFFFAOYSA-N 346.390 2.861 0 50 EFAA Cc1coc2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc12 187292041 HOTMUDKZPIMTJH-UHFFFAOYSA-N 341.367 2.544 0 50 EFAA CCc1ccccc1S(=O)(=O)N1CCSC2(CCOCC2)C1 187798673 UIJPVVCCTMPZRY-UHFFFAOYSA-N 341.498 2.536 0 50 EFAA CC1(c2cc(NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)no2)CCCC1 683949462 UAOSHKQIMFQPAW-ZIAGYGMSSA-N 349.431 2.918 0 50 EFAA COC(=O)c1conc1C(C)(C)NC(=O)/C=C/c1ccnc(Cl)c1 408523501 SELKULPRSGVWRJ-SNAWJCMRSA-N 349.774 2.574 0 50 EFAA CCC(CC)n1ncc(C(=O)Nc2n[nH]c3cc(O)ccc23)c1C 408517575 LNEOFGZRISJNMB-UHFFFAOYSA-N 327.388 3.387 0 50 EFAA Cc1ccccc1C1(CN[C@@H](C)c2nnnn2C2CC2)CCOCC1 190536464 VFCLQUVHQTVRBG-HNNXBMFYSA-N 341.459 2.715 0 50 EFAA CC[C@@]1(C)CN(C(=O)c2cnc3cc(OC)ccc3c2O)CCO1 191297945 DWPJBAGIWJBYQA-SFHVURJKSA-N 330.384 2.590 0 50 EFAA CCOC(=O)c1csc(C2CCN(C(=O)c3ncoc3C)CC2)n1 191548234 XYKNSQZCHKRJCI-UHFFFAOYSA-N 349.412 2.636 0 50 EFAA Cc1cc([C@@H]2CN(c3ncnc4onc(C)c34)CCO2)ccc1F 192516671 COCYAPJSCKTSKT-AWEZNQCLSA-N 328.347 2.952 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 656847578 IHUNULHEWSGRGP-CAAJLBCPSA-N 338.162 2.799 0 50 EFAA C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 668807035 CJOFPCAYMYHZOD-WZGPROSRSA-N 339.439 2.693 0 50 EFAA CO[C@@H](CNC1CCN(C(=O)c2cccnc2)CC1)c1cccs1 1506406379 JTXJWPDFUPCWNV-INIZCTEOSA-N 345.468 2.725 0 50 EFAA N[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1 237920924 APQGYCNORSWWHP-NSHDSACASA-N 331.641 2.595 0 50 EFAA Cc1cnc(C(=O)N2CCCN(c3ccnc4ccccc34)CC2)cn1 1772818771 YDLVLWYJOWWYFN-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA CC(C)N1C[C@H](CN2CC(OCc3ccccc3F)C2)CCC1=O 1775979647 NHWQFMXEABWOLY-HNNXBMFYSA-N 334.435 2.674 0 50 EFAA CN(C)Cc1nnc(NCCCc2nc3ccc(Cl)cc3[nH]2)o1 1772701451 LTGTVHUNJMCDBO-UHFFFAOYSA-N 334.811 2.706 0 50 EFAA CC[C@@H]1CN(CCNC(=O)CC(C)C)Cc2cc(OC)ccc2O1 11782459 DYHVHTVUDMBMKJ-MRXNPFEDSA-N 334.460 2.831 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 12403791 LXHLXOMDHLBJJA-LSDHHAIUSA-N 332.400 2.656 0 50 EFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3nonc3C)C2)cc1 12457141 BOLHEDNHYBCNRW-ZDUSSCGKSA-N 345.424 2.835 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(C3CCOCC3)C2)c(OC)c1 12701824 ACWKVZRRZMJEOA-AWEZNQCLSA-N 333.428 2.778 0 50 EFAA Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCOC2)c1 13540647 NJBKZBDIJNAGLC-UHFFFAOYSA-N 337.379 2.892 0 50 EFAA Cc1ccc(Cl)c(OCC(=O)N2CCN(c3ccccn3)CC2)c1 13746152 GONKLNQPHVASIK-UHFFFAOYSA-N 345.830 2.771 0 50 EFAA CCCCN[C@@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 14748702 JDYCHMQCMOOBKQ-MRXNPFEDSA-N 340.471 2.538 0 50 EFAA O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ccccn2)CC1 16638503 SZVDJBVQBUGUIO-UHFFFAOYSA-N 332.407 2.835 0 50 EFAA O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCO 18152862 IYVPCEMKZSCRNM-IYWMVGAKSA-N 347.414 2.717 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3F)CC2)cc1 19211560 VYFVKMWRGFXCLX-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccco1 4078897 GEQJHBXQHCOCPW-UHFFFAOYSA-N 348.358 2.735 0 50 EFAA COc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cn1 1857708576 AXGYFDIRXSFZRZ-UHFFFAOYSA-N 348.406 2.721 0 50 EFAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)[C@H](C)n1cncn1 1875249574 DHEWISSWJQCMAV-LBPRGKRZSA-N 344.806 2.684 0 50 EFAA CO[C@H]1C[C@H](c2nnc([C@@H]3C[C@@H]3c3ccc(F)cc3)o2)N(C(C)=O)C1 328620766 ACDRVHBFGKCHJD-ZJIFWQFVSA-N 345.374 2.788 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 430074331 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Cc1cccc(CC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356169987 PLUWZMYLQDGOMS-HXUWFJFHSA-N 326.440 2.684 0 50 EFAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)O)c(OC)c1C 4760345 OAXFWUCHCVLSKG-RVDMUPIBSA-N 341.363 2.868 0 50 EFAA CCN(Cc1nc(COC)no1)Cc1c(C)nn(C(C)(C)C)c1C 55153282 AQYSGDCRUAQYEE-UHFFFAOYSA-N 335.452 2.806 0 50 EFAA O=C(O)CC1(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)CCCCC1 55358223 RGWJJIUJEYZPIZ-HNNXBMFYSA-N 348.443 2.785 0 50 EFAA CCCCn1c(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)[nH]c21 9320427 XQCCJVGGZQFWTD-UHFFFAOYSA-N 332.791 2.544 0 50 EFAA Cc1cccc(C)c1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101513972 HPHDTWLWSVEYPJ-OTRWWLKZSA-N 340.423 2.663 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)Nc3cccnc3N(C)C)sc2n1 135010607 DYBBSSDUNZZKJQ-UHFFFAOYSA-N 342.428 2.604 0 50 EFAA O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1CCCCCC1 100793101 AIWPJKMWJWQDRS-HOTGVXAUSA-N 332.444 2.557 0 50 EFAA CC1(C)Cc2nc3nc(S)n(-c4ccccc4)c(=O)c3cc2CO1 100142400 ZKLPYXBVDMORDM-UHFFFAOYSA-N 339.420 2.921 0 50 EFAA CCCn1cc(C(=O)N(C)Cc2nc3ccccc3n2C)c(C)n1 67490872 UDWCHMZYINTNQR-UHFFFAOYSA-N 325.416 2.760 0 50 EFAA CC(=O)N1CCC(N(C)Cc2cccc(-n3nc(C)cc3C)c2)CC1 65397787 IRIXQQTXRUDWBC-UHFFFAOYSA-N 340.471 2.932 0 50 EFAA CCC1(c2noc(-c3ccc(CS(N)(=O)=O)cc3)n2)CCCC1 350443544 XPFAPFMBOCAQFK-UHFFFAOYSA-N 335.429 2.747 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 252477386 MXLQOGUWYMZIQA-FGZZBPHYSA-N 343.475 2.799 0 50 EFAA CCN(C[C@@H]1CCOC1)C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 252452313 BKDOKEOUZPDHSG-KEYYUXOJSA-N 330.428 2.780 0 50 EFAA O=C(NS(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccc(F)cc1 252536469 IQYORNOEALIRPN-UHFFFAOYSA-N 345.754 2.878 0 50 EFAA O=C(Nc1ccc(F)cn1)N[C@H]1CCN(c2c(F)cccc2F)C1 122479364 QFSXMJKOMORMFC-NSHDSACASA-N 336.317 2.899 0 50 EFAA C[C@H]1CCN2C(=O)N(c3nc(-c4ccccc4)ns3)C(=O)[C@@H]2C1 328595548 XYDLSLOFFZMHCI-JQWIXIFHSA-N 328.397 2.772 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCCCC[C@H]1c1ncon1 253420222 GIXHUJOQBFDRIC-HNNXBMFYSA-N 341.346 2.909 0 50 EFAA C[C@@]1(CCc2ccccc2)OC(=O)N(CCc2cnc[nH]2)[C@@]1(C)O 4626200 HEVYMFXTILKURB-ROUUACIJSA-N 329.400 2.504 0 50 EFAA CNC(=O)CN1CCC(N[C@@H]2CCCC[C@@H]2C2=CCCCC2)CC1 151981331 VLTIORNOHUZGMB-RTBURBONSA-N 333.520 2.846 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282634207 SWZRPVCSTGWPNG-SJLPKXTDSA-N 339.370 2.510 0 50 EFAA O=C(Cn1nc2ccccc2n1)N1CCC[C@H](Nc2ccccc2)C1 12434520 COCCVXGOGDEHQU-INIZCTEOSA-N 335.411 2.534 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 77419779 MMOWMPWVKFPRKL-LJQANCHMSA-N 341.455 2.818 0 50 EFAA Cc1ccc2c(=O)cc(C(=O)N[C@H](C)c3c(C)n[nH]c3C)oc2c1 219316876 FYKWXSDUNHMUMM-SNVBAGLBSA-N 325.368 2.932 0 50 EFAA CN1CC2(CCN(CCCCOCc3ccccc3)CC2)CC1=O 77518088 GDUFNUAGSHQQFV-UHFFFAOYSA-N 330.472 2.928 0 50 EFAA O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1nccs1 372194129 VDFBYXGIQXQLCR-AWEZNQCLSA-N 325.393 2.962 0 50 EFAA CC1=CC[C@@H]2CN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]2C1 71755495 BRPUFZFMZABOFM-CVEARBPZSA-N 333.453 2.665 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@](C)(C(=O)O)C1 237752794 RJCSAAGFHBQEDV-IBGZPJMESA-N 326.396 2.717 0 50 EFAA COc1cccc(OCc2nn3c(=O)c4ccccc4nc3s2)c1 17071092 SQXKFLYOJJWUIU-UHFFFAOYSA-N 339.376 2.892 0 50 EFAA CCCc1nc(NCc2noc(-c3ccccc3)n2)c2cnn(C)c2n1 72408397 AROXRNUBGICYMT-UHFFFAOYSA-N 349.398 2.978 0 50 EFAA COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1OC 284867233 YILHDZIXHLDZIO-GOSISDBHSA-N 345.443 2.695 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)NCCn1c(=O)[nH]c2ccccc21 175049803 AWFUOBXJNCMXTO-LBPRGKRZSA-N 344.440 2.794 0 50 EFAA Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OCCN)cn1 426712293 YZRHBADDJAWBPD-LBPRGKRZSA-N 333.819 2.872 0 50 EFAA C[C@@H](NC(=O)Cn1ccc2ccccc21)c1nc(-c2ccncc2)no1 220718969 GOEKTFPXTUMIHE-CYBMUJFWSA-N 347.378 2.964 0 50 EFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4cccc(O)c4)c(=O)n1c23 199908618 JASISGIQEUNBSK-SNVBAGLBSA-N 336.347 2.782 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](CN)C2)cc(C)c1OCc1cccnc1 178578109 PAWXMENURGOSIW-INIZCTEOSA-N 339.439 2.698 0 50 EFAA O[C@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1ccccn1)C2 221318166 KBYWGGKXLONDHE-HXUWFJFHSA-N 334.423 2.766 0 50 EFAA Cc1csc(CCCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)n1 95372947 VNQMZEWBEKYKBJ-MRXNPFEDSA-N 335.448 2.942 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)no1 95379504 RKVFXQUDDGGOSL-IAGOWNOFSA-N 339.439 2.974 0 50 EFAA Cc1ccc(C(=O)NCc2ccc3nc[nH]c3c2)c(OCCCN)c1 426465414 FQKVYNPPTKBYRJ-UHFFFAOYSA-N 338.411 2.529 0 50 EFAA COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C)cn1 239672809 BVKSVBWXVBSCRW-UHFFFAOYSA-N 339.273 2.843 0 50 EFAA Cc1cc2c(NC(=O)N[C@@H](C)Cn3nc(C)cc3C)cccc2nn1 96165893 LPWLRSSUKQGOPQ-ZDUSSCGKSA-N 338.415 2.962 0 50 EFAA CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95371731 AUSREMPJOHUCKS-DFQSSKMNSA-N 328.456 2.884 0 50 EFAA CCc1oc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)cc1CN1CCCC1 91950632 PJLNOWSOJLVICR-VLIAUNLRSA-N 346.471 2.671 0 50 EFAA Cc1ccc2oc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)cc2n1 180947947 QBIRSNNEVKVKBY-AWEZNQCLSA-N 349.390 2.951 0 50 EFAA COCc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)o1 98050816 VRBVGBGLNJZKTC-CYBMUJFWSA-N 332.375 2.821 0 50 EFAA Cc1ccc([C@H](CCO)NC(=O)c2ccccc2-c2nc[nH]n2)cc1 97743417 LEPRTEUIMQSIFM-KRWDZBQOSA-N 336.395 2.634 0 50 EFAA CNC(=O)c1ccc(OC2CCN(C3CCCC3)CC2)c(OC)c1 95510990 SDUMXBPKWDWDDA-UHFFFAOYSA-N 332.444 2.841 0 50 EFAA Cc1nn(C)c2nc(N3CCC([C@@H](O)c4ccccn4)CC3)sc12 95496990 UEDJWNDOVATQQU-CQSZACIVSA-N 343.456 2.683 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)no1 252501557 UHIWMYIODMOUFC-AWEZNQCLSA-N 325.372 2.808 0 50 EFAA COc1ccc(F)cc1C(=O)NCc1ccccc1-n1ccnc1 377174494 YUYJHERKEGSHJC-UHFFFAOYSA-N 325.343 2.950 0 50 EFAA O=C(NCCCc1ccccn1)N1CC[C@H](Oc2ccccc2)C1 370903755 WSEBWWGODBVSDS-SFHVURJKSA-N 325.412 2.877 0 50 EFAA O=C(COC[C@@H]1CCCO1)NCc1c[nH]nc1-c1ccc(Cl)cc1 299781801 UXFKHFKFYRSZPM-HNNXBMFYSA-N 349.818 2.542 0 50 EFAA Cc1cc(N2CC[C@H](Oc3ccccc3Cl)C2)n2ncnc2n1 269752040 AKIKQSDNGVEULK-LBPRGKRZSA-N 329.791 2.744 0 50 EFAA O=C1C[C@@H](c2nc(-c3ccccc3)nn2CCc2ccccc2)CN1 828304382 UINMOEIVJLIYMT-QGZVFWFLSA-N 332.407 2.791 0 50 EFAA CN(C)[C@@H](C(=O)N1[C@H]2CC[C@H]1CC1(C2)N=N1)c1c(F)cccc1F 1875369938 RTKGCXRHAOWQBU-ZIBATOQPSA-N 334.370 2.883 0 50 EFAA O=C(NC12CC(C(=O)O)(C1)C2)c1cc(Cl)c2ncccc2c1F 1875292418 HSADDMKWXVANNJ-UHFFFAOYSA-N 334.734 2.764 0 50 EFAA CCc1c(C(=O)NCC[C@@H](C)C(=O)O)cnn1-c1ccc(C)cc1 1875277674 XWDXLSUBOLBPNR-CYBMUJFWSA-N 329.400 2.584 0 50 EFAA Cc1cn(C)nc1CN1CCC(Cc2ccccc2C(=O)O)CC1 1875272409 IJGFEMGERFEHRL-UHFFFAOYSA-N 327.428 2.881 0 50 EFAA O=C([C@H]1CCc2nncn2CC1)N1CCCCC[C@@H]1c1ccco1 879026575 UZYLQNPJXPAZGO-LSDHHAIUSA-N 328.416 2.968 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NCc2nc(C)[nH]c2Br)C1 1775985324 PVMYCUJAJBBGKM-QQKBFRNYSA-N 348.310 2.650 0 50 EFAA Cc1cccc(-c2noc(-c3cc(S(=O)(=O)N(C)C)oc3C)n2)c1 273781691 TWLZESDAHGYZMR-UHFFFAOYSA-N 347.396 2.864 0 50 EFAA CC(C)CN1C(=O)CC[C@@H]2CN(Cc3cccc4nonc34)CC[C@@H]21 1565528234 OJBPPVTYCDYRNS-PBHICJAKSA-N 342.443 2.692 0 50 EFAA Cc1nc(N2CCC(NC(N)=O)CC2)c2c3c(sc2n1)CCCC3 170023805 MPBLNBXTWFULMA-UHFFFAOYSA-N 345.472 2.516 0 50 EFAA Cc1noc(CNS(=O)(=O)c2csc3ccc(Cl)cc23)n1 170613238 DSJZIJQXQHWODU-UHFFFAOYSA-N 343.817 2.725 0 50 EFAA CC(C)[C@@H](C)NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 170600489 JLPXLOPFTULDKQ-CYBMUJFWSA-N 339.867 2.749 0 50 EFAA CCc1cc(C(=O)N2CCN(C3CC3)c3cc(F)ccc32)n(C)n1 635813329 BWABBUYXHUPYKG-UHFFFAOYSA-N 328.391 2.751 0 50 EFAA Cc1cn2c(CN[C@H]3CCO[C@H](c4cncn4C)C3)c(C)nc2s1 681916174 YDNFTFIYZFAXIT-BBRMVZONSA-N 345.472 2.756 0 50 EFAA NCc1ccc(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cc1 638375037 VGCRRSVVTYITKN-INIZCTEOSA-N 332.350 2.862 0 50 EFAA Cc1ccc([C@H](CNc2ncccc2S(C)(=O)=O)N2CCCC2)o1 302762971 XUPCGLPJETWTQP-AWEZNQCLSA-N 349.456 2.636 0 50 EFAA C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc2c(c1)OCO2 222055091 CQCJEWCMXIPWQY-ZQPHNONSSA-N 343.423 2.924 0 50 EFAA COC[C@]1(C(=O)O)CCCN1C(=O)c1coc2cc(C)c(C)cc12 643853906 NMNRZKAHLSXBHR-SFHVURJKSA-N 331.368 2.755 0 50 EFAA Cn1cc([C@@H]2CSCCN2C(=O)c2cc3sccc3[nH]2)cn1 192223386 BTUOLKVDKHOFGM-ZDUSSCGKSA-N 332.454 2.893 0 50 EFAA Cc1nc(Cc2noc([C@H]3CCCO[C@H]3c3ccccc3)n2)no1 193162201 RXDJINMEVUZMHE-BBRMVZONSA-N 326.356 2.987 0 50 EFAA C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CCc2ccccc21 650768065 NBCNOJGCSUZBJH-KSSFIOAISA-N 326.440 2.576 0 50 EFAA C[C@H]1CN(C(=O)c2cnsn2)c2cc(Br)ccc2O1 195270977 KGCJDWJHXRKIOU-ZETCQYMHSA-N 340.202 2.728 0 50 EFAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H](CCO)c1cccs1 761929936 GLZHEJDUTNLKBA-QMMMGPOBSA-N 333.335 2.652 0 50 EFAA COc1ccc(F)cc1CC(=O)N[C@H]1CCCc2nc(C)ncc21 772993463 HTJQVDFKDBLKMO-INIZCTEOSA-N 329.375 2.669 0 50 EFAA CC(C)n1cc([C@@]2(O)CCN(C/C=C/c3ccc(F)cc3F)C2)nn1 794021463 ZXOYYPIZTZDSMW-OAJJDEHYSA-N 348.397 2.744 0 50 EFAA O=C1CN([C@H]2CCN(c3ccccc3)C2)CCN1C1CCCCC1 1506420617 ALLVEJOYWXXXLG-IBGZPJMESA-N 327.472 2.742 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1CCC(=O)NC1CCCCCC1 1529153545 FPGDKFVKMIJVIC-KRWDZBQOSA-N 337.508 2.548 0 50 EFAA O=C(CCCC(=O)NCCc1ccccc1)NCCc1ccccc1 2131953 PZTPCXZREZYJHF-UHFFFAOYSA-N 338.451 2.875 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 471057 KUKWDPALRDNYHH-UHFFFAOYSA-N 343.379 2.873 0 50 EFAA Cc1nc(Cc2c(C)nn(-c3ccccc3)c2C)n([C@@H]2CCOC2)n1 1772819344 JUZUMCOFEPXGSX-QGZVFWFLSA-N 337.427 2.941 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 11933680 QNJNNVQLJABDDU-MRXNPFEDSA-N 342.443 2.817 0 50 EFAA NC(=O)c1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 12391281 GSGRWSDPOLIKGP-UHFFFAOYSA-N 340.404 2.856 0 50 EFAA CC1(C)CC(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c2C1 13957716 QWHDEJRUJLNAKP-UHFFFAOYSA-N 338.407 2.503 0 50 EFAA CCOc1ccccc1Nc1nc(N)nc(CN2CCCC[C@@H]2C)n1 4168459 HHXJKPQCRMZZEA-ZDUSSCGKSA-N 342.447 2.971 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 4814282 NVDNQLZFELCGOM-UHFFFAOYSA-N 339.800 2.688 0 50 EFAA Cc1cccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 6697902 CDWCQVPKFXFAKA-LJQANCHMSA-N 347.418 2.941 0 50 EFAA CC(C)c1noc(C2CCN([C@H]3CCOC4(CCNCC4)C3)CC2)n1 1857671343 GACLOFAYXSGLMB-INIZCTEOSA-N 348.491 2.674 0 50 EFAA O=C(c1cccc2[nH]cnc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225677578 VROQOQZIFFUOEY-CZUORRHYSA-N 325.343 2.650 0 50 EFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C(=O)O)C1 237340760 ICKJVOXEATYAJL-CMPLNLGQSA-N 329.318 2.817 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 237999113 BQWDHVGANZGMGB-INIZCTEOSA-N 329.327 2.738 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 237998684 OFBKPBHRWYVUGQ-INIZCTEOSA-N 347.317 2.877 0 50 EFAA Cc1c(Cl)cccc1N1CCCN(C(=O)Cc2cnn(C)c2)CC1 241439961 NNVSBIYZBPZIMZ-UHFFFAOYSA-N 346.862 2.663 0 50 EFAA OC[C@H](N[C@H]1COC2(CCC2)C1)c1ccccc1OC(F)(F)F 657999800 LZAVTBGYNOHVFF-YPMHNXCESA-N 331.334 2.920 0 50 EFAA CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccnc2C2CC2)C1 680190814 NHCVFEINQQYDNZ-OAHLLOKOSA-N 329.444 2.728 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)N2CC(Cc3ccccc3Cl)C2)C1 374528684 CWXISMANRSENEG-INIZCTEOSA-N 334.847 2.599 0 50 EFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 266444220 WCKKECSKJOUKPA-UAGQMJEPSA-N 346.471 2.652 0 50 EFAA O=C(N[C@H](c1ccccc1)c1nn[nH]n1)c1ccccc1C1CCC1 827900881 HFHJGMPASMAADK-QGZVFWFLSA-N 333.395 2.987 0 50 EFAA Cc1cc([C@@H]2CCCN(C(=O)COc3ccc(F)c(F)c3)C2)n[nH]1 935849779 ARSIOQASGSQPLX-GFCCVEGCSA-N 335.354 2.781 0 50 EFAA O=C(CSc1ccc(Br)cc1)NC[C@@H]1CCCO1 3237294 KOVQZWBAIRLDGQ-NSHDSACASA-N 330.247 2.836 0 50 EFAA C[C@@H](N=c1cc[nH]c2ccc(Br)cc12)c1ncn(C)n1 436427059 ZKLCWVBSQRMPRI-SECBINFHSA-N 332.205 2.721 0 50 EFAA CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1 5983550 BFIWAXGGISAHGJ-UHFFFAOYSA-N 333.388 2.533 0 50 EFAA Clc1cnc2oc(CN3CCN(Cc4ncc[nH]4)CC3)cc2c1 2325750431 KFODAVQDTKLQRG-UHFFFAOYSA-N 331.807 2.522 0 50 EFAA CCc1cc(C(=O)NCc2cnn(C)c2C(F)F)cc2c[nH]nc12 2325804682 FOYVYHLTWIAFDB-UHFFFAOYSA-N 333.342 2.726 0 50 EFAA C[C@@H]1CCCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 316796 NCKBIZMIBDFKBV-CQSZACIVSA-N 340.464 2.711 0 50 EFAA C[C@@H](NC(=O)N1CCO[C@@H](c2nccs2)C1)c1cccc(O)c1 112459311 QLYJQEHZRAGZRS-BXUZGUMPSA-N 333.413 2.693 0 50 EFAA CCCn1nccc1NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 112674576 JKDPEYWLUTUHQJ-QGZVFWFLSA-N 342.443 2.523 0 50 EFAA C[C@H]1CN2CCC[C@@H]2CN1Cc1cccc(C(=O)N2CCCCC2)c1 113271357 CGEDLKAGOVNLSQ-FXAWDEMLSA-N 341.499 2.981 0 50 EFAA O=C(CSc1ccncc1)NCc1ccc(N2CCCC2=O)cc1 52167268 DQJGFFCIYXYNRS-UHFFFAOYSA-N 341.436 2.617 0 50 EFAA COC(=O)c1cc2n(n1)CCCN(Cc1nc(C(C)C)cs1)C2 65527771 ZHKDUBIZSNOVHR-UHFFFAOYSA-N 334.445 2.656 0 50 EFAA CNc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)ccn1 65465248 KOYQUYCFTDTWST-GFCCVEGCSA-N 327.384 2.776 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCN3CCC[C@@H](C)C3)CC2)cc1 20600629 LKWOTSOHEJWLCI-GOSISDBHSA-N 329.488 2.766 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348255970 HBKFLSDDRKOCNL-CZUORRHYSA-N 325.343 2.650 0 50 EFAA COc1cccc(CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C2CC2)c1 67833402 JFFLKSXVHDBMJQ-UHFFFAOYSA-N 332.787 2.842 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1cccc(F)c1 20402171 XDHBBQIXZPIAEB-QGZVFWFLSA-N 344.361 2.886 0 50 EFAA CC(C)N(Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCC(=O)N1 65404306 YGKDCZPQBYDOGT-AWEZNQCLSA-N 348.830 2.935 0 50 EFAA O=C(CCn1nnc2ccccc21)N1CCCC[C@H]1c1ccccn1 72434825 GDLCHUPEDUDRCV-KRWDZBQOSA-N 335.411 2.970 0 50 EFAA Cc1nn(-c2cccc(F)c2)cc1C(=O)NC1CCC(N(C)C)CC1 422003457 CZLJRMJZCUMJJW-UHFFFAOYSA-N 344.434 2.922 0 50 EFAA CCCC(=O)C(=O)N1Cc2c(-c3cccc(C)c3)nc(N)nc2[C@H]1C 67871867 MQUULRKANMHQHZ-GFCCVEGCSA-N 338.411 2.807 0 50 EFAA CCc1noc(C)c1C(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72166070 LGAIXAPSMBFKII-CQSZACIVSA-N 342.395 2.948 0 50 EFAA COC(=O)CC1(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)CCCC1 253393314 QTXOPFGMLPQQCW-QRWLVFNGSA-N 343.423 2.719 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Br)c1 169476 KENARTBWUZYRGV-LBPRGKRZSA-N 338.201 2.890 0 50 EFAA CC(C)Cn1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 282510939 LBDDHTPCIRMUQO-DLBZAZTESA-N 331.391 2.626 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1nccn1Cc1ccccc1 359323057 PLGBAVKCXNUXML-WBVHZDCISA-N 327.428 2.705 0 50 EFAA COc1cc(C)cnc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 362696041 BEDXGSNHRSBKGQ-UHFFFAOYSA-N 339.395 2.887 0 50 EFAA COc1ccc(C[C@@H]2CN(C(=O)c3cnn(C(C)C)c3)CCO2)cc1 71551662 GZTJBBGMTWZUPP-GOSISDBHSA-N 343.427 2.556 0 50 EFAA CN1CC[C@@H](CNCc2c[nH]nc2C(C)(C)C)[C@@H]1c1cccnc1 328651560 VZUSHAQWEQTLFV-RDJZCZTQSA-N 327.476 2.885 0 50 EFAA COc1ccccc1CNC(=O)Cc1csc(-n2cccc2)n1 30819418 OVJCQZMVVKAHOR-UHFFFAOYSA-N 327.409 2.801 0 50 EFAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)C1CCC1)C2 72151930 QIECFFCTWDDBHE-UHFFFAOYSA-N 336.439 2.894 0 50 EFAA Cc1cc(N[C@@H](C(=O)N(C)C)c2ccccc2)n2nc(C)c(C)c2n1 72422134 CGLAZNIOODWTKW-QGZVFWFLSA-N 337.427 2.896 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[C@H]1CCCO1 378269549 YSCNDUJLHGQBGD-QLFBSQMISA-N 348.447 2.794 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)Cc3sc(C)nc3C)CC2)nc1 215070306 UOTQXDQPDSVNBJ-UHFFFAOYSA-N 345.468 2.516 0 50 EFAA CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H](CC(N)=O)C2)cc1 377191960 VVUXGDZVDWEFLX-OAHLLOKOSA-N 346.471 2.723 0 50 EFAA Cc1c(C(=O)Nc2cccc(-c3ncn(C)n3)c2)sc2nccn12 378629407 ZFQDPDDEBYYKKP-UHFFFAOYSA-N 338.396 2.752 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@H](O)CO3)c3ccccc3n2)cc1 72426969 PYHPECBWGMRZEI-HNNXBMFYSA-N 334.375 2.959 0 50 EFAA COc1cc(C(=O)N[C@H]2CCNCC2(C)C)sc1Br 449709050 XVOPBNGONNDLRO-JTQLQIEISA-N 347.278 2.637 0 50 EFAA Cc1cnn(CCNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1 175548111 FALVPVMUXBRPSQ-SUMWQHHRSA-N 330.407 2.953 0 50 EFAA O=C(C1CCN(C2CCN(Cc3ccoc3)CC2)CC1)N1CCCC1 14955037 HGZBVSKZSUJESA-UHFFFAOYSA-N 345.487 2.578 0 50 EFAA O=C([C@@H]1CC=CC[C@H]1c1nc([C@H]2CCCS2)no1)N1CCOCC1 289139401 SHGJUWSBJXWDLH-MGPQQGTHSA-N 349.456 2.546 0 50 EFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2Cc1ccn(-c2ccc(Cl)cc2)n1 263564412 DYPMMCRCUJFVHP-OWCLPIDISA-N 331.803 2.963 0 50 EFAA Cc1ccn(CCC(=O)N2CCCC[C@@H]2CCc2ccccn2)n1 223353804 AVIASETVZLGRCA-GOSISDBHSA-N 326.444 2.991 0 50 EFAA CCOc1ccccc1CNC(=O)c1ccc(N2CCOCC2)cc1 44950071 NVPUZZFDMUBQGJ-UHFFFAOYSA-N 340.423 2.852 0 50 EFAA Cc1cc(S(C)(=O)=O)cc(C(=O)N(C)[C@H](C)c2ccccn2)c1C 179167122 AWUSRVDVAIXBPU-CQSZACIVSA-N 346.452 2.935 0 50 EFAA CSc1ccc([C@@H](CNc2ncnc3nc[nH]c23)N(C)C)cc1 293902015 CPFMZFVHJICFMN-CYBMUJFWSA-N 328.445 2.790 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 238997293 ADFBGRDZUXKUKP-KKOKHZNYSA-N 329.274 2.522 0 50 EFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1(C)C 91665040 NQAXPLOCJHCXTD-KSVNGYGVSA-N 332.488 2.942 0 50 EFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@H](C)Cc2cccnc2)c1 92077525 ANTILAPSHMEGJR-CYBMUJFWSA-N 336.395 2.841 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2sccc2C)C1 91893803 RPRUVEBOXBUZQJ-INIZCTEOSA-N 325.430 2.790 0 50 EFAA C[C@@H](NC1CCN(c2nc3ccccc3o2)CC1)c1nnc(N)s1 95388195 DFOSLYATMNEVDS-SNVBAGLBSA-N 344.444 2.581 0 50 EFAA Cc1nc(-n2nc(C3CCOCC3)nc2[C@H]2CCOC2)sc1C 96152768 RVANQAINCSNLRC-ZDUSSCGKSA-N 334.445 2.739 0 50 EFAA CC(C)Cn1cncc1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 91625104 UPHDHZIWFQARHI-UHFFFAOYSA-N 341.390 2.998 0 50 EFAA CCN(C)C[C@@H]1CN(Cc2ccc3cc(OC)ccc3c2)C[C@@H]1CO 91691330 YQOJNPSWLVCAML-WOJBJXKFSA-N 342.483 2.840 0 50 EFAA O=C([C@H](O)c1ccc(F)cc1)N1CC(Oc2ccccc2Cl)C1 95388377 QAWLKRVGLRCCKS-MRXNPFEDSA-N 335.762 2.802 0 50 EFAA Cc1cccc2cc(C(=O)N[C@H](C3CCNCC3)[C@H]3C[C@H](O)C3)oc12 244774206 PPNXOOCNTLFEDM-JFIYKMOQSA-N 342.439 2.610 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC(=O)C(C)(C)C 182456469 VDAAJQOMBYUHOT-VIFPVBQESA-N 347.381 2.897 0 50 EFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)Cc1nc2ncccn2n1 243956927 CEMJTHNXZIDXPR-CYBMUJFWSA-N 333.399 2.707 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2ncccc2c1 244734575 NIESFSYDFPRBNI-FCEWJHQRSA-N 333.391 2.872 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)n[nH]1 253413770 VPXZLXSEMWRTJR-MAUKXSAKSA-N 332.492 2.945 0 50 EFAA biogenic CSCCN1CCN(C(=O)Nc2cc(N(C)C)ccc2C)CC1 299783435 ZHYJXFOLNCWMRW-UHFFFAOYSA-N 336.505 2.574 0 50 EFAA CCOc1ccc([C@@H](CC)NS(=O)(=O)c2cnc(CC)[nH]2)cc1 823374740 OXSHCDPBNSONEJ-CQSZACIVSA-N 337.445 2.800 0 50 EFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1nnc(O)c2ccccc12 828209848 BDPSMSUFBLURID-CYBMUJFWSA-N 348.284 2.764 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1csc(CSC)n1)C2 584887339 QOIRFGWEXUWIJS-YABSGUDNSA-N 341.502 2.573 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 871973328 SNYQMFAOQYHNFZ-UBHAPETDSA-N 329.805 2.505 0 50 EFAA CCN(C1CC1)S(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 186305204 YWIQXMUMHTVWPP-UHFFFAOYSA-N 343.420 2.557 0 50 EFAA Cc1ccccc1-c1nc(CNS(=O)(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)no1 1875290684 WZQYBLXMBNDQHO-AEGPPILISA-N 347.440 2.653 0 50 EFAA CCn1cc(CC(=O)N[C@H]2CCc3cnn(C)c3C2)c2ccccc21 1875302341 LVMPLSFBEVAEHJ-INIZCTEOSA-N 336.439 2.611 0 50 EFAA COCCn1ccnc1CN1CC[C@@H](c2cccc(OC)c2OC)C1 952964925 ARRAGOKSWYDQNT-OAHLLOKOSA-N 345.443 2.536 0 50 EFAA Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NCc1cc2cccnc2o1 888099393 XGGCVNGDZPFTHE-IUODEOHRSA-N 341.415 2.553 0 50 EFAA FC(F)(F)c1ccc(N2CCN(c3cccc4nc[nH]c34)CC2)nn1 1775985615 ROHOSMPPDDDIBC-UHFFFAOYSA-N 348.332 2.698 0 50 EFAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC1Cc2ccccc2C1 1565527519 JUCMKUNOFSQGDI-PMACEKPBSA-N 342.439 2.723 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](N(C)CC(=O)O)CC2)ccc1Cl 186648249 DOBAENFCYIVSSU-AWEZNQCLSA-N 338.835 2.660 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc3cc(C)c(C)cc3o2)o1 275470742 URVPINBIKKVBPR-CQSZACIVSA-N 341.367 2.955 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@H]2C(F)(F)F 169618996 ROCWQIAJCZUVEC-SNVBAGLBSA-N 336.354 2.702 0 50 EFAA in-vitro CN(C)C(=O)N1CCN(C(=O)c2coc3ccccc23)C(C)(C)C1 408125495 ALFFDXUEIIWYOK-UHFFFAOYSA-N 329.400 2.651 0 50 EFAA CC[C@H](CO)NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 408519566 WMCXFXYSHWIVOU-ZBFHGGJFSA-N 345.361 2.542 0 50 EFAA CN1CCO[C@@H]([C@@H](NCc2cccnc2)c2ccc(Cl)cc2)C1 222049139 HEDVEBFKMBYUII-MSOLQXFVSA-N 331.847 2.897 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)NCC[S@@](=O)C(C)(C)C)o1 170600249 APYVJOITKOEHJG-JOCHJYFZSA-N 328.478 2.568 0 50 EFAA CC(C)(C)C(=O)N1CCC(Cn2cc(-c3ccccn3)nn2)CC1 641153094 WWMKAQNTYYHSRO-UHFFFAOYSA-N 327.432 2.625 0 50 EFAA O=C(NCc1cnn2ccccc12)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664876926 DVDAQFMVOJPUIT-RYQLBKOJSA-N 336.370 2.611 0 50 EFAA C[C@H](O)c1nc2cc(-n3ccnc3-c3nccs3)ccc2n1C 1772809231 PUEYHBKWJLCGSJ-JTQLQIEISA-N 325.397 2.936 0 50 EFAA Cc1ccc(C)c(OCc2cc(C(=O)N(C)[C@H]3CCN(C)C3)no2)c1 12000116 KRHTYEPLNCIZGQ-HNNXBMFYSA-N 343.427 2.647 0 50 EFAA CCCCOc1ccccc1OCCSc1nc(N)cc(=O)[nH]1 16527081 SNDMVOXCOJXCPI-UHFFFAOYSA-N 335.429 2.702 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 19790225 ZGQBEUIPEJRIMW-SFHVURJKSA-N 328.456 2.874 0 50 EFAA Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19866265 QLEJIPPPJVEACG-UHFFFAOYSA-N 338.407 2.682 0 50 EFAA CC(C)[C@H](N)C(OB1OCCO1)(c1ccccc1)c1ccccc1 169983468 YJZIPVDPYPQAMN-SFHVURJKSA-N 325.217 2.962 0 50 EFAA CC(C)OCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2810338 MQQYCPHCBFIXBE-UHFFFAOYSA-N 332.322 2.575 0 50 EFAA COc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1 2991865 RUTKVSXHRUVVTP-UHFFFAOYSA-N 332.787 2.646 0 50 EFAA Cc1cc([C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3Cl)C2)on1 1857530334 LRCXVGICKBMTJL-OCCSQVGLSA-N 333.819 2.695 0 50 EFAA COc1cc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)ccn1 1857730058 XPHHTENGKHIWLH-HNNXBMFYSA-N 329.400 2.854 0 50 EFAA O=C(CCCOc1cccc2ccccc12)N1C[C@@H](F)C[C@@H]1CO 347401439 UQUUIUDXUOLGDC-JKSUJKDBSA-N 331.387 2.930 0 50 EFAA CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccccn3)no2)c1 360154785 JCFUNJUGGQLNIA-UHFFFAOYSA-N 336.351 2.691 0 50 EFAA C[C@@H]1OCCN(C(=O)NCCc2ccccc2OC(F)(F)F)[C@@H]1C 152319957 BXPROKLJQUEJCM-NEPJUHHUSA-N 346.349 2.947 0 50 EFAA COCCC1(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCCC1 152612477 AYGRSCFBDWBBNV-VQIMIIECSA-N 338.492 2.920 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(CC(N)=O)cs2)o1 370887147 TUGDKCZJUHHBER-QTKMDUPCSA-N 345.424 2.630 0 50 EFAA Cc1cc(CN2CCN(C(=O)N[C@H]3CCCCC3(C)C)CC2)on1 157338540 URHDUGBWWADBLJ-INIZCTEOSA-N 334.464 2.779 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(C(N)=O)cc2)C1 163598545 OXMWWRQHCXDKEH-CYBMUJFWSA-N 333.432 2.845 0 50 EFAA Cn1nnc(NC(=O)CCCOc2cccc(F)c2)c1C(F)F 900850464 BFGJAIPSZZQQDA-UHFFFAOYSA-N 328.294 2.690 0 50 EFAA c1ccc([C@@]2(c3nc([C@H]4CN5CCC[C@H]5CO4)no3)CCCO2)cc1 901994131 GDLPCIUVDMEFBG-FRQCXROJSA-N 341.411 2.659 0 50 EFAA Cn1cc([C@@]2(C)CN(C(=O)c3cc(F)cc4ccoc34)CCO2)cn1 934744284 UGYXGWLOMQITPQ-GOSISDBHSA-N 343.358 2.693 0 50 EFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc2c1OCC2 934897830 QVYQVXICDIQPRI-CQSZACIVSA-N 325.364 2.581 0 50 EFAA CCc1[nH]nc(Cl)c1C(=O)Nc1ccc(OC)c(NC(C)=O)c1 858275910 LRWALUIIXDTAFB-UHFFFAOYSA-N 336.779 2.845 0 50 EFAA COc1ccccc1N1CCN(C(=S)Nc2cccnc2)CC1 111905 FAIWTFCCCCYLDI-UHFFFAOYSA-N 328.441 2.609 0 50 EFAA CCc1nn(C)c(CC)c1NS(=O)(=O)c1ccccc1Cl 2325772261 JCCHEGOKWZDMHQ-UHFFFAOYSA-N 327.837 2.999 0 50 EFAA CN(C)c1nc(N2CCC3(CCC[C@@H]3N)CC2)nc2ccccc12 2325777356 ZDBHJOZYBXEBQO-INIZCTEOSA-N 325.460 2.794 0 50 EFAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(F)cc1 223141 VUIPSWRYHOEAKL-UHFFFAOYSA-N 333.359 2.749 0 50 EFAA COc1ccc(S(=O)(=O)n2nnc3ccccc32)c2ccccc12 268771 OIVRMBWZERJNJV-UHFFFAOYSA-N 339.376 2.830 0 50 EFAA CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21 6778766 NBCPVNKIIUUZNX-UHFFFAOYSA-N 346.408 2.541 0 50 EFAA CCC1(CO)CCN(C(=O)c2cc(F)cc3nc(S)[nH]c23)CC1 134629209 ORZPOYBIPZGZAS-UHFFFAOYSA-N 337.420 2.615 0 50 EFAA CC(C)NC(=O)CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 139307574 FAIKRUHWLMSHBW-UHFFFAOYSA-N 340.349 2.505 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C 248089397 LEVAVHQEVCFWPL-FVQBIDKESA-N 344.455 2.618 0 50 EFAA COc1ccc(CCCNC(=O)c2ccc(N3CC=CC3)nc2)cc1 101942218 OIFPCFWFRPECFN-UHFFFAOYSA-N 337.423 2.829 0 50 EFAA CC(C)CC[C@]1(C2CCNCC2)NC(=O)N(Cc2cccs2)C1=O 67947130 GYVZNWVUMDHQEA-GOSISDBHSA-N 349.500 2.975 0 50 EFAA CCc1ccc([C@@H](COC)NC(=O)c2nn(C)c(C)c2Cl)o1 421473001 GIWCGMFANFVEOU-LLVKDONJSA-N 325.796 2.655 0 50 EFAA CCc1c(C)nn(CCNc2nc(CCN)nc3ccccc23)c1C 65467988 YPTBVVMUMUIYCI-UHFFFAOYSA-N 338.459 2.619 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 65404846 SPFSLKSFTPLQME-HNNXBMFYSA-N 341.459 2.775 0 50 EFAA CS(=O)(=O)c1ccc(CNc2ccnc(-c3ccccc3)n2)cc1 352645044 KKPGLWUHBYFMKS-UHFFFAOYSA-N 339.420 3.159 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 151176480 DAHQZKDXZOJEAB-ZDUSSCGKSA-N 330.453 2.948 0 50 EFAA Cc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 229379726 JHUBCXQGGKOXPV-SOLBZPMBSA-N 345.487 2.806 0 50 EFAA CNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 229425493 HKMTXHWVVFLCQQ-UKRRQHHQSA-N 346.475 2.597 0 50 EFAA C[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 67630422 KFKVDACLFMYYBF-SMDDNHRTSA-N 330.428 2.839 0 50 EFAA C[C@H]1CN(c2ccc(NC(=O)N(C)C[C@H]3CCCO3)cc2)C[C@@H](C)O1 229792853 DJXALTMFPNHNFG-RVKKMQEKSA-N 347.459 2.943 0 50 EFAA C[C@@H]1CN(C)CCN1C[C@@H](O)c1ccc(OCc2ccccc2)cc1 229806690 FLJNJVLFPBJNTG-DYESRHJHSA-N 340.467 2.935 0 50 EFAA CN(c1ccc(C(=O)O)c(Cl)c1)S(=O)(=O)c1ccccc1 67601960 OQROPDJFSCZSKV-UHFFFAOYSA-N 325.773 2.863 0 50 EFAA CN(CCC1CCOCC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O 120640402 PLGDJCXTSULTKM-MRXNPFEDSA-N 338.398 2.819 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccn2)C1)Nc1ccc(F)cc1 67973778 YGSGJLDOWFPDPO-AWEZNQCLSA-N 328.391 2.864 0 50 EFAA CC(C)=C[C@H]1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C 133681 CXBMCYHAMVGWJQ-GJZGRUSLSA-N 331.412 2.965 0 50 EFAA biogenic,in-man CCn1ccnc(N2CCC(N[C@@H]3CCc4ccccc43)CC2)c1=O 328586698 LGQUGHRUCHJMFF-GOSISDBHSA-N 338.455 2.509 0 50 EFAA COC(=O)c1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c[nH]1 253431408 GZFOMBUTVMOZOY-UHFFFAOYSA-N 344.264 2.889 0 50 EFAA c1ccc(-c2nnc3ccc(N4CCC(c5nnco5)CC4)nn23)cc1 253428622 KHLAXXOVBUBVHC-UHFFFAOYSA-N 347.382 2.558 0 50 EFAA Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc(C)c1F 173047934 VUDUXPCGAYIUKT-UHFFFAOYSA-N 340.464 2.595 0 50 EFAA Cc1cccc(C)c1NC(=O)c1n[nH]cc1I 5642074 SVUOLHSOQMMMDL-UHFFFAOYSA-N 341.152 2.883 0 50 EFAA CCN(Cc1ccc(C)o1)C(=O)c1cnc2c(c1)nc(N)n2CC 77470613 WVVXQUKBYZNIQT-UHFFFAOYSA-N 327.388 2.597 0 50 EFAA COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O 329539287 VXWFYMSJBGKFFQ-IRXDYDNUSA-N 345.439 2.533 0 50 EFAA CC(C)(C)C1=CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 371144987 KERPIKBSXKARGH-NEPJUHHUSA-N 332.366 2.648 0 50 EFAA CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@@H](N)C[C@H]2C)c1Cl 236733497 AMWGCDGZWZEMND-WQYAIIHGSA-N 338.883 2.996 0 50 EFAA O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC[C@H]1c1cccnc1 333658380 GJRHCBNAQSQDCW-KBPBESRZSA-N 330.400 2.984 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2cc[nH]n2)cc1 77504822 GBICLKPEUXGNBS-QGZVFWFLSA-N 340.427 2.550 0 50 EFAA Cc1ccc(C(=O)N2CCN(CCCO[C@H]3CCCCO3)CC2)cc1 338280589 LCMVQZNXLAXLFX-IBGZPJMESA-N 346.471 2.686 0 50 EFAA O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCC(O)CC1 39485066 NNFYHYYOFONREX-UHFFFAOYSA-N 345.399 2.799 0 50 EFAA CSc1ccc([C@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)cc1 35357985 JVLMCWYSBJVUFE-BDXSIMOUSA-N 334.437 2.626 0 50 EFAA Fc1cnccc1CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1 459480951 OTTYMUNVXPCPRH-MRXNPFEDSA-N 342.418 2.869 0 50 EFAA Cc1ncsc1CCC(=O)N(C)Cc1nc2ccccc2n1C 82092843 XCEUAUOEVONIBS-UHFFFAOYSA-N 328.441 2.929 0 50 EFAA O=C(O)c1ccc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cc1 263460920 VQYYFDIELPLIJI-INIZCTEOSA-N 325.364 2.628 0 50 EFAA C[C@H](CN(C)C)NC(=O)c1cccc(-c2ccc(CCO)cc2)c1 426407734 ZSJMJGCOQVHBPD-OAHLLOKOSA-N 326.440 2.568 0 50 EFAA NC[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 178548870 VFUXYAKIMIQZAL-LLVKDONJSA-N 335.860 2.813 0 50 EFAA O=C(NCc1csc(-c2cccs2)n1)N1C[C@@H]2CC[C@H]1CNC2 426734247 HEDVILOYOHBITI-YPMHNXCESA-N 348.497 2.765 0 50 EFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)CCc1cccn1C 426711999 HMLQEALGHOCJNC-INIZCTEOSA-N 325.456 2.521 0 50 EFAA CN(CCCNC(=O)N1CC(Oc2ccccc2)C1)C1CCCC1 426389647 LYRPCHBVVUSZJG-UHFFFAOYSA-N 331.460 2.724 0 50 EFAA Cc1cccn2c(F)c(C(=O)N(C)CC[C@@H](O)c3ccccc3)nc12 97660350 WWVDTZGYWJOYBW-OAHLLOKOSA-N 341.386 2.978 0 50 EFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCCc2ccncc2)C1(C)C 91907626 XZBBESUPISKBOB-OXJNMPFZSA-N 345.487 2.661 0 50 EFAA COc1ccc(-c2cc(C(=O)N(CCO)C3CCCCC3)[nH]n2)cc1 91725966 BTJUBOKZVFCCLX-UHFFFAOYSA-N 343.427 2.853 0 50 EFAA CC(C)c1nnc(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 92045555 IVLDJQINRBGYDI-DZGCQCFKSA-N 347.488 2.746 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1F)N(C)C 91973987 XIITXYYSJKSNSK-LJQANCHMSA-N 343.446 2.806 0 50 EFAA COc1c(C)cnc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C 92107001 QSHNOIPGBQXEGN-QRWLVFNGSA-N 348.487 2.707 0 50 EFAA CC(C)Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)cc1 92081440 VJNHLMOHUXOQHV-WOJBJXKFSA-N 344.499 2.661 0 50 EFAA CCC[C@H]1CN(C(=O)c2cccc(OC(C)C)c2)C[C@@H]1NC(C)=O 91907928 VJQKKGBBROXGRE-WMZOPIPTSA-N 332.444 2.851 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)N3CCNC(=O)[C@@H]3C(C)C)[nH]c12 91934320 ZXFKADYRSCCXNR-KRWDZBQOSA-N 327.428 2.690 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)C1(Cn2cccn2)CC1 91965699 ZLTFEQQWEPQSOM-QGZVFWFLSA-N 341.459 2.640 0 50 EFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cnc2c(F)cccc2c1 294784926 URJNAXWJDONBKW-HNNXBMFYSA-N 343.402 2.895 0 50 EFAA COc1cccc2ccc(-c3cn(CCCn4ccnc4)nn3)nc12 91973807 IDFAVZUMLTUXGK-UHFFFAOYSA-N 334.383 2.789 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NCc1ccc(C(=O)O)s1 95526588 HPEPISBFFAVEDV-UHFFFAOYSA-N 335.429 2.791 0 50 EFAA CCN(CC1CCOCC1)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91255060 AGVZCRPQOOFQCC-UHFFFAOYSA-N 343.427 2.974 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCCCN3C)cc2)no1 95390452 WXXSLPXPOZSVQF-INIZCTEOSA-N 328.416 2.536 0 50 EFAA COC(=O)[C@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]31)[C@@]2(O)[C@]54C 253595949 LHSMBRLTQUGMJF-WGVRKWNUSA-N 340.463 2.721 0 50 EFAA O=C(CSCCN1CCCC1)NCc1ccc2ccccc2n1 299801597 ZUYQMIGVLBTKEH-UHFFFAOYSA-N 329.469 2.680 0 50 EFAA CN1CCC[C@@H](CCC(=O)Nc2ccccc2CN2CCOCC2)C1 823770577 AHKDIUCORGHIAL-KRWDZBQOSA-N 345.487 2.579 0 50 EFAA CN(C)C[C@@H]1COCCN(CC2=Cc3cc(Cl)ccc3OC2)C1 823690189 MPBZQCCGPUULFN-HNNXBMFYSA-N 336.863 2.626 0 50 EFAA COc1ccccc1Cc1nc(-c2ncccc2C)n(CCCO)n1 584891964 QWLIFPIRPRDNKT-UHFFFAOYSA-N 338.411 2.630 0 50 EFAA C[C@@H](c1nc(COc2ccccc2)nn1CCO)N1CCCCCC1 828776989 PAPLIEQBHNARTJ-INIZCTEOSA-N 344.459 2.786 0 50 EFAA CC(=O)NCCCc1nc(C2CC2)nn1Cc1cccc(Cl)c1 820581226 ODXRSWNRWIYQPS-UHFFFAOYSA-N 332.835 2.926 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 1875306475 HYODHKFHIZMWJW-CFVMTHIKSA-N 337.370 2.538 0 50 EFAA Cc1cccc([C@H](O)C(=O)Nc2ccc(N3CCCC3)nc2C)c1 1875293038 AIBCRLPLWYOIRH-SFHVURJKSA-N 325.412 2.971 0 50 EFAA C[C@H]1Oc2ccc(NC(=O)c3cccn3C3CC3)cc2N(C)C1=O 952977134 OYPXOJCFSIZXCL-LLVKDONJSA-N 325.368 2.819 0 50 EFAA CO[C@]1(c2nnc(-c3ccn(-c4ccccc4Cl)n3)o2)CCOC1 886085660 JWRHIJZGBQHZAG-MRXNPFEDSA-N 346.774 2.838 0 50 EFAA Cc1ncc([C@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)n1 886095177 NHRRVIXLFBLMCA-MAAWUACBSA-N 343.475 2.872 0 50 EFAA Cc1cc(CNC(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)ccn1 895107283 AAFZYSTVHCFDDK-MOPGFXCFSA-N 338.455 2.535 0 50 EFAA O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1conc1C(F)(F)F 1775988080 CPBNCORUUPJYSA-JTQLQIEISA-N 348.708 2.680 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 1776007137 VZSGSDTWLGDESK-ZDUSSCGKSA-N 326.322 2.774 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)n2)C1 1358074160 KLNYEWFWIJHYCC-OAHLLOKOSA-N 333.395 2.507 0 50 EFAA Cc1cccc2[nH]c(CCC(=O)N(C[C@H]3CCCN3)C3CC3)nc12 186539858 KULLNMVWPVTIPV-CQSZACIVSA-N 326.444 2.547 0 50 EFAA CCn1c(C)cc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c1C 275333441 KETIQILNFSRVOG-HNNXBMFYSA-N 346.431 2.845 0 50 EFAA Cc1cccc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1 275670302 CKFCNZPHGYOBMV-LBPRGKRZSA-N 331.376 2.502 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(NC(C)C)CC2)c1C 169979205 GIJZYRZBAUPAHW-CQSZACIVSA-N 333.476 2.868 0 50 EFAA CN(Cc1nnc(C(=O)Nc2ccccc2)s1)[C@H]1CCSC1 170593419 MAAJKFCYUUJNNB-LBPRGKRZSA-N 334.470 2.728 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(c2nc([C@@H]3CCOC3)no2)CC1 170591316 WVRNDOFKOQHASN-GFCCVEGCSA-N 337.420 2.862 0 50 EFAA CCCN(CC(=O)N(C)C1CCCCC1)[C@H](CC)C(=O)OCC 170612016 QLIMRMWAQYCJIV-MRXNPFEDSA-N 326.481 2.831 0 50 EFAA O=C(CN1CCC[C@@H]1c1ncccn1)NC1C2CC3CC(C2)CC1C3 639841205 STMOUPPKUFYRLP-CMPFZWEDSA-N 340.471 2.554 0 50 EFAA CC1(C)C[C@H](Nc2ncnc3ccc(S(C)(=O)=O)cc23)C(C)(C)O1 302854078 QZEPXPJFICZVPS-AWEZNQCLSA-N 349.456 2.791 0 50 EFAA Brc1cnc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)nc1 408512865 CDRKEOQMOWGWAZ-BETUJISGSA-N 345.244 2.812 0 50 EFAA O=C(c1ncc(F)cc1F)N1CCO[C@@]2(CCc3ccccc32)C1 192190085 ARPOAGCWMJYMAW-SFHVURJKSA-N 330.334 2.674 0 50 EFAA Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccnc(C)c3)C2=O)cc1 192385390 RDWFUWYGBCTFEO-KRWDZBQOSA-N 338.411 2.621 0 50 EFAA O=C(O)c1ccc(N2CCC[C@@](CO)(Cc3ccccc3)C2)nc1 647455595 FIUZIGIMATUXCR-LJQANCHMSA-N 326.396 2.601 0 50 EFAA Cc1ncc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)s1 192830456 NSVAPZQBQYXMKU-ZLDLUXBVSA-N 326.487 2.792 0 50 EFAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1coc2ccc(F)cc12 648387260 ADIHVLGRWARFDP-BBRMVZONSA-N 329.331 2.565 0 50 EFAA COc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 194962134 AESRXRMRCGFUDK-ZOBUZTSGSA-N 326.440 2.992 0 50 EFAA N[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 195114176 BSMSNJFTUOLPFN-NSHDSACASA-N 335.860 2.956 0 50 EFAA CCC[C@H](Nc1cc(C)c2c(OC)ccc(OC)c2n1)C(=O)NC 1704340225 XTPPXLLQSRAGJT-LBPRGKRZSA-N 331.416 2.887 0 50 EFAA CC(C)N1C[C@@H](CN2CCCN(c3ccccc3)CC2)CCC1=O 1775984370 RBOJXPINWUUAKA-GOSISDBHSA-N 329.488 2.846 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 13389019 FGLZXUUMILEIGI-BHTHQVBYSA-N 348.196 2.672 0 50 EFAA COc1cccc(C[C@@H]2CN(C(=O)c3scnc3C)CCO2)c1 14963092 SHSMIYDCVAMYBG-OAHLLOKOSA-N 332.425 2.544 0 50 EFAA Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCCCC1 16527400 AQJLEWRMUZIKQU-UHFFFAOYSA-N 338.473 2.698 0 50 EFAA Cn1cc(CC2CN(C(=O)[C@@H]3[C@@H]4CC[C@]3(c3ccccc3)C4)C2)cn1 1857527366 VFYVVVHIGJXSAY-SLYNCCJLSA-N 335.451 2.789 0 50 EFAA O=C(c1ccncc1F)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857675541 CJZATLJUQRNZSB-UHFFFAOYSA-N 336.370 2.852 0 50 EFAA CC[C@]12COC(=O)N1CCN(Cc1cccc(OC(F)F)c1)C2 1857702111 AGZNTWJXJNYOJB-INIZCTEOSA-N 326.343 2.705 0 50 EFAA CC[C@H](C(=O)N1CC2(CN(C)C2)C1)n1cc(C(C)=O)c2ccccc21 1857710767 OKAXNMXLYVDAQZ-QGZVFWFLSA-N 339.439 2.569 0 50 EFAA Nc1ccnc(CN(Cc2cccc(Br)c2)C2CC2)n1 225497551 DOUSYKQXMMVAHQ-UHFFFAOYSA-N 333.233 2.986 0 50 EFAA CC1CCN(C[C@@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 117775599 WOYKGICCMBGUCW-ROUUACIJSA-N 345.487 2.819 0 50 EFAA Cc1cc(C)cc(OCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 4841254 KNEANAOFGHYHOX-UHFFFAOYSA-N 347.436 2.516 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N1CCCN(CC(F)(F)F)CC1 130360570 AJSMKIFVKSOBMD-UHFFFAOYSA-N 346.353 2.962 0 50 EFAA CC(C)C[C@@H](C)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 252492604 MQGQRPVYEAQBHZ-VXGBXAGGSA-N 332.491 2.821 0 50 EFAA O=C(Nc1cccc(NC(=O)[C@H]2C[C@@]23CCOC3)c1)c1ccncc1 363795415 GNOAPSFAHYZLFI-VQIMIIECSA-N 337.379 2.699 0 50 EFAA COCc1ccc(C(=O)N2CCC[C@]2(CO)Cc2ccccc2)o1 372758214 QCEHTXNBCXCKAA-LJQANCHMSA-N 329.396 2.636 0 50 EFAA O=C(Nc1cccnn1)N1CC(Cc2cccc(Br)c2)C1 930349314 NDWWEKTVTDSALC-UHFFFAOYSA-N 347.216 2.946 0 50 EFAA COc1cccn2ncc(C(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)c12 934126227 JFWNXCZFFOQNEI-MRXNPFEDSA-N 341.415 2.594 0 50 EFAA CO[C@H](C(=O)N1CCc2c[nH]nc2C1)c1ccccc1C(F)(F)F 935035694 VSLCAOULSPMOFW-AWEZNQCLSA-N 339.317 2.701 0 50 EFAA CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 6727131 BUNVQBBBJKNDLS-UHFFFAOYSA-N 325.206 2.646 0 50 EFAA OCCCNCc1cc(Br)sc1Br 236493507 NHOUXJOYOWSOOF-UHFFFAOYSA-N 329.057 2.745 0 50 EFAA COc1ccccc1CCNC(=O)c1ccc(Br)cn1 171186972 JUZBSSQORHOQOA-UHFFFAOYSA-N 335.201 2.825 0 50 EFAA CCS(=O)(=O)C[C@H](C)Nc1nc2cc(Br)ccc2o1 892533818 QTGIQUPREFTJBO-QMMMGPOBSA-N 347.234 2.825 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccc(OC(F)F)cc2)C2(CCOCC2)C1 2325783305 MSYYSFRHADCESM-CYBMUJFWSA-N 341.354 2.744 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2nc3c(s2)CCCCC3)CC1 2325788132 NTGDVCDQSRTSAN-MRXNPFEDSA-N 338.473 2.724 0 50 EFAA CO[C@@H]1CCN(Cc2cn(-c3ccc4[nH]ccc4c3)nn2)[C@@H](C)C1 2325801309 BIXKAOXXXZTKJC-SUMWQHHRSA-N 325.416 2.748 0 50 EFAA C[C@H]1CCn2nccc2N1C(=O)c1ccc(Cl)c2c1OCCO2 2325805739 ORKOGVSTSKPNHI-JTQLQIEISA-N 333.775 2.747 0 50 EFAA COc1cccc(COC(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 859040368 RWDRHHAIFIQZQN-OAHLLOKOSA-N 346.408 2.566 0 50 EFAA C[C@H]1CCN[C@H](C(=O)Nc2cccc(I)c2)C1 126087355 CHVUHHMCWYIHMH-CABZTGNLSA-N 344.196 2.618 0 50 EFAA CC[C@H]1C[C@H](Cc2nc(CC(=O)Nc3ccccc3)no2)CCO1 241739086 QZVQEJKLAOIVKC-HIFRSBDPSA-N 329.400 2.999 0 50 EFAA C[C@H](c1nc(C2CC2)no1)N(C)[C@H]1CCN(c2ccccc2F)C1=O 248082434 VVHJTVRWAOCEHQ-ABAIWWIYSA-N 344.390 2.884 0 50 EFAA CN(CCOC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1 108112 NKLBRRASKVTKIJ-UHFFFAOYSA-N 327.380 2.747 0 50 EFAA CCC(=O)NC(=S)Nc1ccccc1I 359636 FJQQEGDSDUXMKV-UHFFFAOYSA-N 334.182 2.514 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356141569 HOCLTBCDMPTPET-FQEVSTJZSA-N 342.439 2.845 0 50 EFAA CCOC(=O)C(=CNc1cc(Cl)ccc1OC)C(=O)OCC 2930545 RDHLZWAQELJEKC-UHFFFAOYSA-N 327.764 2.771 0 50 EFAA CNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cs1 6681565 NEZOCWSBPIYOBA-UHFFFAOYSA-N 338.454 2.834 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1cc(F)ccc1F 52537735 QTCZBTDSOKZSMG-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 226287466 RXBPXSFKYDHNKH-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA COc1ccc(F)cc1[C@@H](C(=O)O)N(C)CCc1scnc1C 55154890 VFYZYMKZGQJDDD-HNNXBMFYSA-N 338.404 2.899 0 50 EFAA CCCc1cc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)[nH]n1 115413546 SKJLPXPFTVWOKZ-OAHLLOKOSA-N 336.386 2.673 0 50 EFAA CC(=O)Nc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 101666662 CMYCDCFDTSVKFZ-NBLIUIFLSA-N 330.771 2.610 0 50 EFAA Cc1nc2c(NC[C@]3(c4ccc(F)cc4)CCOC3)ncnc2o1 55119589 GYNVVYOERJJUBE-QGZVFWFLSA-N 328.347 2.836 0 50 EFAA O=C1CCCN1CCC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 55343107 XYFQIOWZVWYMII-VQTJNVASSA-N 347.547 2.975 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1ccc(NC(C)=O)cc1)C2 20232651 WVSBVABRCTYQEC-KRWDZBQOSA-N 326.396 2.747 0 50 EFAA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 67338999 BDMQRBHIPWEMFP-UHFFFAOYSA-N 330.409 2.688 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 67605620 WNSFCKJUUIHAJJ-NSHDSACASA-N 343.408 2.638 0 50 EFAA Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)Cc2ccccn2)c(C)c1 67675441 ITOHOEZLWIEZFZ-OAHLLOKOSA-N 325.412 2.727 0 50 EFAA Cc1nc2cc(C(=O)Nc3cnn(C)n3)ccc2n1-c1ccccc1 20866167 QIUHGPXISMMCCU-UHFFFAOYSA-N 332.367 2.715 0 50 EFAA CN(C)c1noc(CNC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n1 425765671 BYFOCVMXPLTPNY-AWEZNQCLSA-N 343.431 2.818 0 50 EFAA O=C(CN1C[C@@H]2CCCC[C@]21c1ccccc1)NC[C@H]1CCOC1 252477246 KQBKTZVIJCBTIN-KPFFTGBYSA-N 328.456 2.540 0 50 EFAA CC[C@H](C)n1ncc(C(=O)NC2CCN(CC(F)F)CC2)c1C 252479132 AZRYBFAJSPGZQA-NSHDSACASA-N 328.407 2.622 0 50 EFAA COC[C@H](Cc1ccccc1)N[C@@H](c1nc(C)no1)C1CCOCC1 328637964 WECPWFZXONWJDS-ZWKOTPCHSA-N 345.443 2.693 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(OC)ccn2)n1C 328631208 KGIXIUFIXWCQSO-KRWDZBQOSA-N 342.443 2.516 0 50 EFAA Cc1n[nH]cc1CN1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328639023 PINNZWLZYTWDKQ-MRXNPFEDSA-N 328.464 2.646 0 50 EFAA COC(=O)[C@H]1CCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2803402 RXVMZMULPWVZPQ-WCQYABFASA-N 334.416 2.603 0 50 EFAA COc1cc(NC(=O)c2occ3c2OCCO3)c(OC)cc1Cl 4745545 XHHRXIPTJKNPME-UHFFFAOYSA-N 339.731 2.974 0 50 EFAA O=C(NC(=O)c1ccc(F)cc1)OC[C@H]1CCCN2CCCC[C@@H]12 6058499 HQTAXOPUMYCJIK-ZBFHGGJFSA-N 334.391 2.957 0 50 EFAA CC[C@@H](NC(=O)c1cnn2c1CCCC2)[C@@H](O)c1c(F)cccc1F 253420104 DYKOWKVBUCZBPE-RHSMWYFYSA-N 349.381 2.740 0 50 EFAA CC1CCN(C(=O)CCN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 71774835 MJEPIUXJNRHIHL-GOSISDBHSA-N 334.435 2.848 0 50 EFAA C[C@H]1CCN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@@H]1n1ccnc1 124889481 AMYKOSYDEZJDCI-ZFWWWQNUSA-N 329.448 2.637 0 50 EFAA COc1ccc([C@]2(C(=O)N(C)CCn3cccn3)CC2(C)C)cc1 216443666 DEJXQGQKDZDDJY-IBGZPJMESA-N 327.428 2.718 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccncc1 77489915 FRVUFVUKIBMTER-CYBMUJFWSA-N 327.409 2.958 0 50 EFAA C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)C[C@H](C2CC2)O1 333176773 KSIIQBYYQOJXGH-BNEJOLLZSA-N 345.443 2.511 0 50 EFAA Cc1ccc([C@H](C)CCN2CC(=O)N(C3CCCCC3)C[C@@H](O)C2)o1 39337910 XWIKXERSJXTEMI-QAPCUYQASA-N 348.487 2.919 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)c2ccnc(C(=O)O)c2)c1 237327061 MPCOEBVOWSDFOB-MRXNPFEDSA-N 326.352 2.766 0 50 EFAA Cc1csc([C@@H](NC(=O)N2[C@H]3CC[C@H]2COC3)C(F)(F)F)n1 333834185 LWKBJJPJWSOHHE-LPEHRKFASA-N 335.351 2.628 0 50 EFAA CC1CCN(C2CCC(NC(=O)N3CCC[C@@H](O)[C@@H]3C)CC2)CC1 334000209 RASVZIYZRYVCPX-FCCDEINASA-N 337.508 2.584 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1 132672356 KNIVFGFIXJAZGW-XLNAKTSKSA-N 330.409 2.535 0 50 EFAA CC(C)(C)N1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)CC1=O 174542533 PBHZGSOOOKOHMJ-SNVBAGLBSA-N 333.413 2.532 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1ccc2c(c1)OCO2 156902804 UXEYFSQOGHVGCE-CQSZACIVSA-N 327.384 2.661 0 50 EFAA Cc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1F 13324734 UKLCHDPMWNTGBO-UHFFFAOYSA-N 328.391 2.879 0 50 EFAA CCOC(=O)N1CCC(Nc2cc(C)nc3c(C)c(C)nn23)CC1 72481291 INRSFECQTHMNSL-UHFFFAOYSA-N 331.420 2.687 0 50 EFAA CN1C(=O)CCN(C(=O)c2ocnc2C2CC2)c2ccc(F)cc21 377399324 FIJLAUHHHQFSGC-UHFFFAOYSA-N 329.331 2.704 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1=C(C)N2CCN=C2S1 219908390 KSMZTPYQJJQCFE-OAHLLOKOSA-N 343.452 2.839 0 50 EFAA Cc1cc2ncn(C[C@@H](O)Cn3ccc(-c4ccccn4)n3)c2cc1C 241684905 QGGHEMOWHJHWRA-MRXNPFEDSA-N 347.422 2.973 0 50 EFAA O=C(C1=COCCO1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 131554428 BEBHWGCTWVRUAB-IRXDYDNUSA-N 331.412 2.770 0 50 EFAA O=C(Nc1ncc(C2CCOCC2)s1)N1CCC[C@]12CCOC2 455790928 OAPPSDGXEOKHOK-MRXNPFEDSA-N 337.445 2.824 0 50 EFAA CCS[C@H]1CCC[C@H](NC(=O)N2CCC3(CC2)OCCO3)C1 175899594 MEJJGJSPQPJTQG-KBPBESRZSA-N 328.478 2.599 0 50 EFAA O=C(Nc1ccc2c(c1)CCO2)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 287213184 ZYXHZNKBJLNCLR-NYYJTOMGSA-N 328.412 2.827 0 50 EFAA COC(=O)N1CCCC[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 220150532 CMQNZWXXQVFEFV-HNNXBMFYSA-N 343.383 2.579 0 50 EFAA CCCc1cc(C(=O)N(C)Cc2cc(-c3ccccn3)no2)no1 82121888 VXCJVBIIQWTQEU-UHFFFAOYSA-N 326.356 2.949 0 50 EFAA CCc1nc(C)sc1CN1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426465080 DCCDRXNILFROEJ-CYBMUJFWSA-N 348.472 2.675 0 50 EFAA CC(C)[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1nccn1C 220600436 DUZQHBZBEWCXGR-GOSISDBHSA-N 328.460 2.932 0 50 EFAA Cn1c(C(=O)NCCCn2ccccc2=O)cc2c(Cl)cccc21 426414827 WISNAMKWMHVVGU-UHFFFAOYSA-N 343.814 2.814 0 50 EFAA Cc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1 426423803 WHIBPMOFRVCSMK-KRWDZBQOSA-N 326.371 2.810 0 50 EFAA Cc1nc2ccccc2n1CCNC(=O)NCc1ccc(Cl)cn1 180391828 KZGORNDZLKYLLN-UHFFFAOYSA-N 343.818 2.893 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c(F)c1 91943115 FREDHHWDBPPOFN-MRXNPFEDSA-N 334.435 2.851 0 50 EFAA Fc1ccccc1-n1cc(CN2CCC(c3ncon3)CC2)cn1 97413405 RHUIHCYDSIBUKT-UHFFFAOYSA-N 327.363 2.774 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CCC[C@H](O)CC2)c2c1CCC2 295088880 ZVBPTRAPOZDXMG-HNNXBMFYSA-N 339.439 2.656 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1C(=O)O 237319194 RZXKZZPMSRRECC-HUUCEWRRSA-N 343.354 2.952 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnc(-c3cccnc3)nc2)c1 95372893 RELGRGVVFTVEJI-HNNXBMFYSA-N 347.422 2.945 0 50 EFAA O=C(NCCNc1cccnc1)c1cc(-n2cccn2)ccc1Cl 97492580 FAHWRNZHPZYTFL-UHFFFAOYSA-N 341.802 2.763 0 50 EFAA Cc1ccc2cccc(OCCN3C[C@]4(CCOC4)CCC3=O)c2n1 91876690 GZAAOCSNGCXJGQ-HXUWFJFHSA-N 340.423 2.951 0 50 EFAA NC(=O)c1cc2c(nc1N1CC[C@@H](c3ccccc3F)C1)CCC2 95523315 OVFWSSUVAKAYIT-CYBMUJFWSA-N 325.387 2.802 0 50 EFAA CN1CC2(CCN(C(=O)CCSCc3ccccc3)CC2)OC1=O 243901017 AYMIXJPGSQUCNZ-UHFFFAOYSA-N 348.468 2.753 0 50 EFAA CSc1ccc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)cc1 253393922 PWQLNTDYWYCAAJ-UWWQBHOKSA-N 342.464 2.916 0 50 EFAA Cc1nc2ccccc2c(O)c1CCC(=O)NCC[C@@H]1CCCN1C 252480457 CAOBCKSFEAIWOT-HNNXBMFYSA-N 341.455 2.782 0 50 EFAA Cc1nccc(N2CCN(C(=O)c3csc4ccccc34)CC2)n1 185383033 CFJGJEQTXONBBO-UHFFFAOYSA-N 338.436 2.962 0 50 EFAA NCCCOc1cc(Cl)ccc1C(=O)NCc1cc(C2CC2)on1 299795215 KWMYSQVYNQIXBY-UHFFFAOYSA-N 349.818 2.863 0 50 EFAA CN1CCC[C@@H](CCC(=O)NCc2nc(C3CCCCC3)no2)C1 299802074 WNYIIDQHTDKTNZ-AWEZNQCLSA-N 334.464 2.856 0 50 EFAA Cn1cnc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 299758529 MJKHGWRWIYFLEK-OAHLLOKOSA-N 327.363 2.803 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@@H]2c2nccs2)c1C 827939697 VBUHWLZFSDHBDQ-CQSZACIVSA-N 346.456 2.913 0 50 EFAA Cn1cc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 269786518 XGPHEKSQGLWGIZ-GJZGRUSLSA-N 325.334 2.747 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2ccc3[nH]nc(C(=O)O)c3c2)CC1 1875299925 BKLLJBDGSSGHDP-CYBMUJFWSA-N 345.399 2.682 0 50 EFAA OC[C@@H](O)c1cccc(-c2ccc(OCC(F)(F)F)cc2F)n1 1875291941 QUQAEZLDDUBGGC-CQSZACIVSA-N 331.265 2.855 0 50 EFAA CC(=O)N1CCC[C@@](O)(CC(=O)OCc2cccc(C(C)C)c2)C1 1875267567 LSRMNWHAVQXFFW-LJQANCHMSA-N 333.428 2.617 0 50 EFAA COc1cccc(-n2cc(CNC(=O)c3ccc(Cl)cc3)nn2)c1 1875258105 BGCHCYXPCUBLEJ-UHFFFAOYSA-N 342.786 2.859 0 50 EFAA CC(C)(C)c1nocc1C(=O)N=c1ccn(-c2ncccc2Cl)[nH]1 1875319167 RADPCYWCMDQWOM-UHFFFAOYSA-N 345.790 2.880 0 50 EFAA O=S(=O)(NC1CCCC1)c1ccc(NCC23CC4C[C@H]2[C@H]3C4)nc1 1875356896 QSNCPPLUZXCZDV-MNQLITRGSA-N 347.484 2.761 0 50 EFAA C[C@@]1(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CC=CCC1 952883358 WCKBBPCNFFMCKG-IAQYHMDHSA-N 342.365 2.765 0 50 EFAA C[C@H](N[C@H](C)Cc1ccccc1C(F)(F)F)[C@@H]1CN(C)CCN1C 952993446 HDFOYAOUSGDJAD-KEYYUXOJSA-N 343.437 2.860 0 50 EFAA CN1CCC[C@H](c2nnc3sc(-c4cccc(N(C)C)c4)nn23)C1 951726892 ODONIKWOYVUSNC-ZDUSSCGKSA-N 342.472 2.728 0 50 EFAA CCc1nc(NC(=O)CC2(Cn3cnnn3)CCCCC2)sc1C 888103997 RTXAJVSMULEATN-UHFFFAOYSA-N 348.476 2.980 0 50 EFAA CCn1cc(CC(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cn1 886697576 MWAPCHDTXIKOGM-NSHDSACASA-N 333.819 2.911 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC(C)(C)O1)[C@@H]2C 898638125 YLKRQGBQBUSCPV-KGLIPLIRSA-N 349.479 2.835 0 50 EFAA COc1ccccc1OC(C)(C)C(=O)N1C[C@H](C(C)C)[C@@H](N(C)C)C1 1565516087 DRUNBQNPVTZDNT-CVEARBPZSA-N 348.487 2.897 0 50 EFAA CCNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1365089432 BVGBWUCBIHDODN-LLVKDONJSA-N 335.408 2.690 0 50 EFAA CC(C)[C@@H](CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 171171820 BXRGQRHKWXWQTJ-GOSISDBHSA-N 338.455 2.955 0 50 EFAA O=C1CCN1c1cccc(-c2noc([C@H]3CCCc4[nH]ncc43)n2)c1 281071882 SZFNCGWHZZRTIV-ZDUSSCGKSA-N 335.367 2.665 0 50 EFAA CN(C(=O)[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1 281228230 VLOCKLWTRLKMNJ-MRXNPFEDSA-N 338.407 2.577 0 50 EFAA OCC1([C@H](NCc2cccc3c2CCOC3)[C@H]2CCCO2)CCC1 639768008 QVSCSNUISBCYAI-RTBURBONSA-N 331.456 2.559 0 50 EFAA Cc1nc(NC(=O)N(CC(C)(C)O)C2CC2)ccc1Br 189381828 HLRLDRLUAHPTNI-UHFFFAOYSA-N 342.237 2.920 0 50 EFAA Cc1cnc(CCNC(=O)N2CCC[C@@]2(CO)CC(C)C)s1 190860778 WJLMZGOXUHHJCJ-INIZCTEOSA-N 325.478 2.577 0 50 EFAA CCOc1cc(O)ccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 190989369 LOFRGVPXGVURDX-ZDUSSCGKSA-N 326.352 2.855 0 50 EFAA Cn1nccc1CS(=O)(=O)Cc1csc(-c2ccsc2)n1 194418355 SLGXSMIFMFTTGW-UHFFFAOYSA-N 339.467 2.720 0 50 EFAA Cn1c(=O)c(CN2CCC[C@@]3(CCC[C@H]3O)C2)cc2ccccc21 1704328347 MIOSCRZAXZZTKR-QUCCMNQESA-N 326.440 2.666 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)OCCc1sccc12 1704298028 CAERKVBCFRIZKY-UHFFFAOYSA-N 343.452 2.664 0 50 EFAA O=C(c1ccccc1O)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 436191 GITNYGIPTKRVPM-QMTHXVAHSA-N 328.290 2.645 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)cc1 470929 XKRSRKTUAIABSK-UHFFFAOYSA-N 349.408 2.981 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@H](C4(O)CC4)C3)cc2nc1C 1772817686 HOWWVAZEXYXKPE-HNNXBMFYSA-N 325.412 2.624 0 50 EFAA CNCc1nnc(NC[C@H](c2ccc(C)cc2)N2CCC(C)CC2)o1 1772708566 DLGBXZUQXWSNMT-QGZVFWFLSA-N 343.475 2.983 0 50 EFAA CC(C)CN1C[C@H]2CN(CCCn3cccc3)C[C@]2(CCC(=O)O)C1 1772817777 WZBWVAQZCMRRCC-UYAOXDASSA-N 347.503 2.633 0 50 EFAA O=S(=O)(c1ccc(Cl)cc1)N1CCn2c(nc3ccccc32)C1 5983520 HLFRCVHQKZWCLX-UHFFFAOYSA-N 347.827 2.894 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)n2ncnc2N1 13125264 KJQNCQFLDAOLDZ-INIZCTEOSA-N 332.367 2.601 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(NC3CCCC3)nc2)no1 19744113 XTHPRWLLRSFWQK-UHFFFAOYSA-N 329.404 2.873 0 50 EFAA O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Cl)cc1Cl 2866824 HAIWKELRWNMRDI-UHFFFAOYSA-N 329.183 2.861 0 50 EFAA COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1OC 6706585 RXJLKIZURJZZII-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA O=C(Nc1ccc(OC(F)F)nc1)N[C@@H]1c2ccccc2CC[C@@H]1O 1857528636 MZJBBSSGBWTKOZ-DZGCQCFKSA-N 349.337 2.853 0 50 EFAA Cc1cc(C)cc(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857711750 KQTLWMRARWTZOT-SLFFLAALSA-N 342.483 2.604 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)CCO1 225503354 VXICUNLTWBQDFW-MAUKXSAKSA-N 345.447 2.637 0 50 EFAA Cc1noc([C@H]2COCCN2C(=O)c2scc(C)c2Cl)n1 328586790 RBSSRWUGDAPABM-SECBINFHSA-N 327.793 2.615 0 50 EFAA Cc1cnc2c(c1)N(C(=O)c1cccc(N3CCCC3=O)c1)CCO2 126255995 HLGYXCLGEKCPHV-UHFFFAOYSA-N 337.379 2.556 0 50 EFAA CC1(C)CN(C(=O)CS(=O)(=O)C2CC2)c2cccc(Cl)c21 333584573 RVWHGULTTILDPJ-UHFFFAOYSA-N 327.833 2.541 0 50 EFAA Cc1nn(-c2ccc(C(=O)N[C@H]3C[C@H]3C)cc2)c(C)c1CCC(=O)O 237351473 YAICJQKKQGQRAS-DIFFPNOSSA-N 341.411 2.645 0 50 EFAA O=C(O)CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 238160741 STVLYTYDSKYGAB-LBPRGKRZSA-N 331.199 2.871 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1 129592780 QVCNREWXYCTRMU-KRWDZBQOSA-N 325.456 2.975 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)n1 653329419 WCPSZNMLUHEFGG-XOKHGSTOSA-N 341.411 2.880 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 132228367 SHHFFWPDJRRXMT-DJJJIMSYSA-N 327.428 2.904 0 50 EFAA CCc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)nc1 668595091 KIZIGVKQFVUUJM-QGZVFWFLSA-N 337.467 2.919 0 50 EFAA O=C(O)[C@H](c1ccsc1)N1CCC(OC[C@@H]2CCCO2)CC1 846243223 DTHXDYGYBHNKOU-GJZGRUSLSA-N 325.430 2.534 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)Nc1cncc(C(=O)O)c1)CCC2 902041029 UBXZOWXLRSKDBP-OAHLLOKOSA-N 326.352 2.847 0 50 EFAA Cc1c(Cl)cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1Cl 1704336892 KWYKHHNIGUFLHG-YPMHNXCESA-N 343.254 2.704 0 50 EFAA Cn1nc(-c2cccnc2)cc1C(=O)N[C@H]1CCc2ccccc2OC1 908037085 FNXIKYOVCOQDIL-INIZCTEOSA-N 348.406 2.606 0 50 EFAA N=C1NC(=O)[C@H](CC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)S1 925711847 SQUVKJRZBGALOF-ZDUSSCGKSA-N 343.408 2.510 0 50 EFAA O=C(N[C@H](c1ccncc1)C1(CO)CCC1)c1cc(F)cc(F)c1O 826729266 IHLQZQVEWLLLRO-MRXNPFEDSA-N 348.349 2.699 0 50 EFAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCn2ccnc21 931522880 MJRDVZIEWCYGMH-LLVKDONJSA-N 334.807 2.701 0 50 EFAA CC(C)(C)OC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 9420937 VHRBACPBLZIKSR-UHFFFAOYSA-N 343.427 2.790 0 50 EFAA O=C(c1ccoc1Br)N1CCCC[C@H]1c1nc[nH]n1 193957760 ICHLNKNKDVBAIO-VIFPVBQESA-N 325.166 2.528 0 50 EFAA O=S1(=O)C[C@]23CCCC[C@@]2(CN(c2ccnc4c2CCCC4)C3)C1 2325767418 OEMDNVFDMBRZIQ-RTBURBONSA-N 346.496 2.756 0 50 EFAA Cc1cc(Br)cnc1CN1CC(C)(C)C[C@@H]1C(=O)O 2325773303 HWKWZTYNLGQUBF-GFCCVEGCSA-N 327.222 2.838 0 50 EFAA C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 2325782058 SVDFUNMUDWLRAW-RDTXWAMCSA-N 342.414 2.745 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1c1ccccc1 2325825885 GOTUDCOWEUDJHP-JKSUJKDBSA-N 347.374 2.570 0 50 EFAA Cc1cc(-c2noc(-c3ccc(C(F)(F)F)c(O)n3)n2)c[nH]c1=N 2325867012 HQKVFDKDWAOBDK-UHFFFAOYSA-N 337.261 2.639 0 50 EFAA CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)n1 245312454 JIPDLDSRKJOMDY-NCOADZHNSA-N 348.491 2.719 0 50 EFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OCC)n1 8856796 KDJDWKCSVSUHLM-UHFFFAOYSA-N 347.440 2.852 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCCC2=O)cc1Cl 55108091 JDMVQXUZXFACPW-JTQLQIEISA-N 337.807 2.638 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCn3cccc3[C@H]2C)C1 247242745 TVULBSGNSXJSIS-YGZBKVGRSA-N 337.489 2.654 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H](C)c1nc2c(s1)CCCC2 65409052 ZUSJLXSFZMNVQH-LBPRGKRZSA-N 345.468 2.828 0 50 EFAA CSc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1 4195642 BTUOJXNXCKRGEW-UHFFFAOYSA-N 337.788 2.511 0 50 EFAA COc1ncc(CN2CCc3[nH]cnc3[C@@H]2CCc2ccccc2)cn1 67561560 AMBZZWZYOTTWCI-SFHVURJKSA-N 349.438 2.941 0 50 EFAA C[C@H]1C[C@@H](c2nc(-c3ccc4c(O)ncnc4c3)no2)CCN1C 351239269 WGKSPNOUTSLCNP-JQWIXIFHSA-N 325.372 2.583 0 50 EFAA Cc1ccc2c(c1)CCN2S(=O)(=O)c1c(C(F)F)c(C)nn1C 331500102 BXGKHMWHHPNUBW-UHFFFAOYSA-N 341.383 2.726 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCOCCO)CCO2 67803465 NHYSULFUPACRTR-UHFFFAOYSA-N 343.423 2.571 0 50 EFAA Cc1nc(CCNC(=O)N2CC[C@@H](OCC(C)C)C2)sc1C 151144069 BTEQNJOCLQZFFK-CQSZACIVSA-N 325.478 2.759 0 50 EFAA CO[C@@H](C)c1nsc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 328825756 SMUOLOGADGELHE-GXSJLCMTSA-N 334.449 2.625 0 50 EFAA O=C(N[C@@H]1CCOC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 354725510 IIEMGLVNQIDQRD-CQSZACIVSA-N 331.391 2.985 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C(F)(F)F 27691 GHZGHHLJVPVHAJ-LBPRGKRZSA-N 328.290 2.896 0 50 EFAA biogenic Cc1ccc(CN2CCC[C@H](CNC(=O)C3(N)CCC3)C2)cc1C 67947113 BBSMJSJOJIEBNM-GOSISDBHSA-N 329.488 2.513 0 50 EFAA Cc1ccccc1Oc1ncccc1CNC(=O)Cc1nonc1C 12435010 BJNNQLIHWMIPDG-UHFFFAOYSA-N 338.367 2.733 0 50 EFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)ncc1Br 359296886 ITMKUKKQRGFUMZ-IACUBPJLSA-N 341.249 2.519 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 329922841 GQFOUJKNFLUFFE-CQSZACIVSA-N 338.473 2.523 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)c3ccc4c(c3)ncn4C)c2)n1 126751799 HHDORNGISPUYSU-UHFFFAOYSA-N 332.367 2.621 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H](C(=O)O)C1 74937977 VEHLPPUZBATHPY-CABCVRRESA-N 335.400 2.913 0 50 EFAA Cc1ccc2c(c1)OCCN2C(=O)[C@H](C)Cc1c(C)nn(C)c1C 173308660 NSVZNXYZTUGWNE-CYBMUJFWSA-N 327.428 2.950 0 50 EFAA O=C(c1conc1C1CC1)N1CCC[C@@H](c2nnc3ccccn23)C1 253404970 WTLCJWBGCYJTPQ-CYBMUJFWSA-N 337.383 2.615 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCc2ccco2)cc1 363681715 DSLZMQBZYLSBTB-KRWDZBQOSA-N 342.395 2.851 0 50 EFAA O=C(NCCC(=O)N1CCC[C@@H]1C1CC1)N1CCc2ccccc2C1 363404571 NALITAXXUFKCQF-GOSISDBHSA-N 341.455 2.545 0 50 EFAA Cc1cc(N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)ccn1 332698312 SAYSNDUKXQUPEQ-CQSZACIVSA-N 341.386 2.853 0 50 EFAA CC(C)(C)n1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nn1 331495190 DHOUVLFZFFVKRT-XJKSGUPXSA-N 336.386 2.619 0 50 EFAA CCc1nccn1CC(=O)N1CCC(Oc2cccc(C)c2)CC1 77470618 JEWBDFNIGAQNMM-UHFFFAOYSA-N 327.428 2.824 0 50 EFAA COC1(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CCOCC1 367061860 IPSWKVKWXBAPPX-OAHLLOKOSA-N 339.819 2.515 0 50 EFAA CCn1cnc2c(N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)ncnc21 333746217 WWBWXWUMIKSOSP-KGLIPLIRSA-N 327.432 2.632 0 50 EFAA Cc1nc(CCC(=O)N2CC[C@](C)(C(=O)O)C2)oc1-c1ccccc1 237624908 BSWPHGZIAYUGPE-IBGZPJMESA-N 342.395 2.906 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@@H](CCO)C3)c(C)o2)cc1 71707987 FIZOVZVWQDXDOE-HNNXBMFYSA-N 348.468 2.955 0 50 EFAA O=C(Cn1cccn1)N1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1 369758227 UYHRBMXZSALHJQ-INIZCTEOSA-N 339.374 2.776 0 50 EFAA COc1cccc(C2=CCN(C(=O)[C@H](O)c3cccc(OC)c3)C2)c1 371601285 HPCNAVQOJRTPMA-LJQANCHMSA-N 339.391 2.663 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 238063517 RTNHJTLZIRFSTA-HXUWFJFHSA-N 337.375 2.699 0 50 EFAA CC(=O)NCc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 373265487 JPTMYFYBLSBKFR-IBGZPJMESA-N 344.455 2.744 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 374173905 QEZKHYYOAWDEKE-MXWKQRLJSA-N 342.490 2.807 0 50 EFAA COc1c(NC2CCC(C(=O)O)CC2)cc(Cl)cc1C(N)=O 263376311 ARFBNHDDCVKEQO-UHFFFAOYSA-N 326.780 2.503 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 82121049 BUCLVQWTWYKZKB-UHFFFAOYSA-N 343.475 2.511 0 50 EFAA COc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 44508897 VKQXQHHSPYDDKN-UHFFFAOYSA-N 344.386 2.562 0 50 EFAA CNC(=O)C1(NC(=O)N[C@H](C)c2nc(C)sc2C)CCCCC1 426412996 QFZQANZYRWJQNT-SNVBAGLBSA-N 338.477 2.569 0 50 EFAA Cc1nccn1CCCNC(=O)N1CCCC[C@@H]1c1ccccn1 426691101 ADQPOZGNTOGJCX-QGZVFWFLSA-N 327.432 2.913 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1CCn1ccnc1 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0 50 EFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@H](N)C[C@@H]1C 237509273 OILOCSDCZBAFCB-SRVKXCTJSA-N 330.350 2.811 0 50 EFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 239174103 PGXMGARYMQEPQY-WWNBULGVSA-N 341.407 2.625 0 50 EFAA CC(C)Oc1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1CO 92062372 DWARMXALUXCSGS-DLBZAZTESA-N 333.428 2.509 0 50 EFAA C[C@H](C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)n1cccn1 248165066 ZKCXIAUNGKQOHT-IIAWOOMASA-N 332.473 2.705 0 50 EFAA Cc1nc(N)sc1C(=O)NC[C@H](c1ccccc1F)N1CCCC1 244787859 QEXYLYFREMFZAV-CQSZACIVSA-N 348.447 2.740 0 50 EFAA COc1ccccc1CCC(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 244673683 HTTWCPIWENIIQC-HNNXBMFYSA-N 344.455 2.535 0 50 EFAA Cc1noc(CNC(=O)COc2cccc3c2ccn3CC(C)C)n1 252482912 DQEAJXVWOUIIPZ-UHFFFAOYSA-N 342.399 2.684 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N=c1[nH]oc3ccc(F)cc13)CO2 1940197511 VQWOOEMZDWPZSC-NSHDSACASA-N 342.326 2.587 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCCCc1ccccc1)CC2 299790762 BMLCULUDRFJXTE-CMKODMSKSA-N 331.456 2.930 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)C1(c3ccc(C)cc3)CC1)CC2 299800243 UOIPIXDIFAVEIP-ABSDTBQOSA-N 329.440 2.558 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CCc2cc(O)no2)cc1 299780960 CBYQPRBCQUNACE-KRWDZBQOSA-N 343.427 2.738 0 50 EFAA CCC(=O)N1CCC(C(=O)NCCSCc2ccccc2)CC1 822529351 DZBHHNMZGIPCNP-UHFFFAOYSA-N 334.485 2.685 0 50 EFAA Cc1ncn(CCNC(=O)N(C)Cc2csc(C(C)C)n2)c1C 584893153 CISRDYFZFDCVGU-UHFFFAOYSA-N 335.477 2.921 0 50 EFAA CC[C@@H](NC(=O)c1cnc2sccn2c1=O)c1nc(C)c(C)s1 670451535 AQMNAFOURDHMFE-LLVKDONJSA-N 348.453 2.710 0 50 EFAA COCCOc1ccccc1CNC(=O)c1cnn2ccc(C)cc12 271141419 VGEPMIOKRALDFH-UHFFFAOYSA-N 339.395 2.598 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)NCCc2nc(C(C)(C)C)cs2)CCO1 271279904 QDAPHAAUANACEX-NEPJUHHUSA-N 325.478 2.850 0 50 EFAA C[C@H](O[C@H](C)C(=O)O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 872914305 FGSIXIFTXZZZHV-QWHCGFSZSA-N 344.411 2.752 0 50 EFAA Cc1cnccc1[C@@H](C)Nc1ccc(CC(=O)N2CCOCC2)cc1 1875285346 KGGXLBPNVRMPDZ-MRXNPFEDSA-N 339.439 2.964 0 50 EFAA Cc1ccc(Cl)c(NC(=O)C2CCN(c3cc(O)ncn3)CC2)c1 1875306347 AUNZPQQCGFASCM-UHFFFAOYSA-N 346.818 2.999 0 50 EFAA CO[C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)NCc1cccs1 1875362662 OMTKKCZBHDKZGZ-HZPDHXFCSA-N 337.466 2.870 0 50 EFAA C[C@H](Nc1ncccn1)[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 1875335867 JPDJVNJFIIMVBE-BMGDILEWSA-N 336.439 2.998 0 50 EFAA C=CC(=O)NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1 1875384586 UNJKAXNESIDWNS-UHFFFAOYSA-N 335.812 2.975 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCC1(c2ccccc2)CCC1 1875398250 ISSDUBOKGQSHDQ-BHIYHBOVSA-N 325.456 2.734 0 50 EFAA CCOC(=O)C(=O)Nc1c(-c2ccccc2)csc1C(=O)OC 1875320387 BBMBEZGCHHSJFT-UHFFFAOYSA-N 333.365 2.703 0 50 EFAA CC(C)(C)N1C[C@@H](C(=O)NC2(c3cc(F)ccc3F)CC2)CC1=O 952861392 FDHDNDSEOYSCPB-NSHDSACASA-N 336.382 2.717 0 50 EFAA CCO[C@@]1(c2nnc(-c3ccn(-c4ccccc4F)n3)o2)CCOC1 886082181 HOIDNOBYXDKHBT-KRWDZBQOSA-N 344.346 2.714 0 50 EFAA CC(C)[C@H](C(=O)Nc1nc(C2CC2)no1)N1Cc2ccccc2C1=O 895035288 BPWYNBAZTWPOJT-CQSZACIVSA-N 340.383 2.566 0 50 EFAA O=C(C=C1CCCCC1)N1CC=C(C2(C(=O)O)CCOCC2)CC1 1776006114 NBTZHKCBPPLLTA-UHFFFAOYSA-N 333.428 2.917 0 50 EFAA O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)OC1CCCCC1 1414335526 LHPFGHHFNUULBR-SNVBAGLBSA-N 346.353 2.962 0 50 EFAA CCCc1cnc(C)nc1N[C@H]1COCC[C@@H]1OCc1ccccn1 1565529833 DGEQVPFRVADHSE-ROUUACIJSA-N 342.443 2.919 0 50 EFAA O=C(Cc1cccc(F)c1)N[C@H]1CCCCN(C(=O)N2CCCC2)C1 82156260 CESQBBMOPOQXCP-KRWDZBQOSA-N 347.434 2.555 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCN2CCC[C@@H]2C1 170047220 DZHUANRCUJTCAV-IXDOHACOSA-N 335.492 2.794 0 50 EFAA CS(=O)(=O)c1ccc2ncnc(NCCc3cccc(F)c3)c2c1 170606571 MZMWUGOLNPUUCO-UHFFFAOYSA-N 345.399 2.827 0 50 EFAA CC(=O)OCCCc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2O)c1 170609620 PDPOXIWEEBVJQY-IRXDYDNUSA-N 334.416 2.607 0 50 EFAA CCS(=O)(=O)c1ccccc1NCc1cn(C)nc1C(F)(F)F 170604518 DOTHLGXMHISKLI-UHFFFAOYSA-N 347.362 2.845 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CCCN1C1CCOCC1 280742824 SFYQUIFWTJEVFJ-RCCFBDPRSA-N 348.874 2.956 0 50 EFAA COCCO[C@@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C1 188537293 QQJGGISLOWHWLK-GOSISDBHSA-N 328.412 2.787 0 50 EFAA Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)O)O3)cc2)c1 189010822 TWTHYTNHBISNST-ZWKOTPCHSA-N 339.391 2.910 0 50 EFAA COC[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 193501937 QZNBMHOBQFFEBD-OAHLLOKOSA-N 344.802 2.589 0 50 EFAA CCO[C@H]1COCC[C@H]1NC(=O)N1CCc2ccccc2C(C)(C)C1 664656615 MIRBHDMJGOIIQW-MSOLQXFVSA-N 346.471 2.726 0 50 EFAA O[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1Cc1ccccn1 1704303717 NYVRZTALFKNDOQ-RDTXWAMCSA-N 332.831 2.649 0 50 EFAA COCCCN(Cc1ccc(C)cc1)Cc1cnc(C(=O)O)cn1 1772710439 VNNZPXAPXCLSMQ-UHFFFAOYSA-N 329.400 2.522 0 50 EFAA Cc1ccc(OCc2cc(C(=O)N(C)[C@H](C)c3ccon3)no2)cn1 11667897 JKTSUDCEEFPMAS-GFCCVEGCSA-N 342.355 2.778 0 50 EFAA O=C(c1csnn1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12303364 YYGHWEBNGGXMIS-UHFFFAOYSA-N 345.815 2.780 0 50 EFAA CN(CCN1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12385345 WCXSRDLYZYTWPF-QGZVFWFLSA-N 349.519 2.502 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCO1 12473132 BDPRHPYGRWOBSG-QGZVFWFLSA-N 325.412 2.513 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)C1CCOCC1 14955023 IBQBRSZEJOZLOY-UHFFFAOYSA-N 339.439 2.761 0 50 EFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 19169629 BYIIOLNFLNQKTM-FHWLQOOXSA-N 347.418 2.531 0 50 EFAA O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 19371392 WLNUACLYCDXSIO-INIZCTEOSA-N 328.799 2.804 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1C 7235055 GIAQIHVWQLFJPM-UHFFFAOYSA-N 326.809 2.516 0 50 EFAA Cn1cncc1-c1nccn1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1857740230 FEDKSSKQVRDNJU-GFCCVEGCSA-N 341.802 2.915 0 50 EFAA O=C(Cc1ccon1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 225604370 YCIGNQJYFDWWDW-GFCCVEGCSA-N 340.210 2.919 0 50 EFAA COCC1(CNC(=O)NCc2nc3ccccc3n2C2CC2)CCC1 225703823 ROKPYOGFEXQFON-UHFFFAOYSA-N 342.443 2.987 0 50 EFAA CC1(C)Cc2cccc(CN[C@H](C(N)=O)c3ccc(F)cc3)c2O1 130831724 MFTDQRASOHLUEA-INIZCTEOSA-N 328.387 2.855 0 50 EFAA CCOC1(c2nc(C3(c4ccncc4)CCC3)no2)CCOCC1 664912581 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O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)C1(Cl)CC1 2325775798 VHNMZJDSQMPYAI-UHFFFAOYSA-N 331.718 2.993 0 50 EFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(-c4ccccc4F)on3)C[C@H]2C1 2325791116 VOQSSDFGTRNTGB-JHJVBQTASA-N 329.375 2.680 0 50 EFAA c1cc(Cn2ccnc2)cc(-c2ccnc(N[C@@H]3CCCNC3)n2)c1 2325796709 FWJXFHLXHUIMEH-QGZVFWFLSA-N 334.427 2.552 0 50 EFAA CNC(=O)c1ccc(CCNC(=O)c2cc3ccc(F)cc3[nH]2)cc1 2325879975 OHBXMLFZFYOJLF-UHFFFAOYSA-N 339.370 2.639 0 50 EFAA O=C(NC(=S)N[C@H]1CCSC1=O)c1ccc(Cl)cc1Cl 83873 JPVOWHIERGKNJJ-VIFPVBQESA-N 349.264 2.630 0 50 EFAA Cn1c(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)cnc1-c1ccccc1 2356168497 GOBPZRMLLFOEIH-ZSHCYNCHSA-N 325.412 2.605 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 6704573 DUSQQMSSWWLFFB-UHFFFAOYSA-N 339.461 2.829 0 50 EFAA CC[C@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1nc2ccccc2[nH]1 225629602 FFTMMKKJEMWCTO-GUYCJALGSA-N 349.394 2.718 0 50 EFAA O=C(CCC(=O)NC1CCCC1)NCc1cc(-c2ccccc2)[nH]n1 55413046 XYIWZJAUZUSBCS-UHFFFAOYSA-N 340.427 2.532 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)c1 8247654 HLRXKHJQOBMGQV-NSHDSACASA-N 346.333 2.965 0 50 EFAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 101360452 GCXZUGUVRMHIBL-UOVPBQLFSA-N 337.375 2.870 0 50 EFAA CCC(CC)n1c(=O)n(C[C@H]2CCCCO2)c2cc(C(=O)O)cnc21 55154884 FBLAAEIWRHOBRV-CQSZACIVSA-N 347.415 2.826 0 50 EFAA COc1cccc(C(C2C(=O)CCCC2=O)C2C(=O)CCCC2=O)c1 100659386 CEGPAPPSPYDENR-UHFFFAOYSA-N 342.391 2.655 0 50 EFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCNc1cccnc1)(C3)C2 102767588 CVDKPCBKBWDDRI-XWPNQZOQSA-N 343.471 2.721 0 50 EFAA Cc1c(CN[C@H](C)CCCC(C)(C)O)c2ccccc2n1CC(N)=O 55154330 ULYGMNJRZWXEIZ-CQSZACIVSA-N 345.487 2.854 0 50 EFAA CC(C)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 67878560 DPJZTFCZRBJMKM-HNNXBMFYSA-N 339.439 2.502 0 50 EFAA CN1CCN(C)C2(CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)C1 67772736 NBUVWLFGXKHRJZ-SFHVURJKSA-N 347.503 2.733 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(C)on1 117708720 HYJPLOXANUJAEQ-OAHLLOKOSA-N 343.383 2.543 0 50 EFAA COc1nc(N(C)Cc2c(C)noc2C)nc2c1cnn2C(C)(C)C 853153274 KKACANYWYYGQTA-UHFFFAOYSA-N 344.419 2.831 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2scnc2c1 175879210 OXEZUDNDCWZLLL-CQSZACIVSA-N 348.472 2.871 0 50 EFAA O=C(c1cccnn1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67724599 ODZUMRSUSPYUEF-CQSZACIVSA-N 338.194 2.997 0 50 EFAA CC(C)c1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1 25707059 VHKORPFPNLYGAG-UHFFFAOYSA-N 325.412 2.696 0 50 EFAA c1ccc(CNc2ncc(CN3CCC4(CCNCC4)C3)cn2)cc1 67955585 FLPOWZSIWQEGMT-UHFFFAOYSA-N 337.471 2.664 0 50 EFAA Cn1c(Cl)cnc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 121190622 OEWHFQHIGOPEHQ-GXFFZTMASA-N 327.762 2.660 0 50 EFAA Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)cn1 253397530 UYKJNAFXKYYVSA-OCCSQVGLSA-N 339.386 2.809 0 50 EFAA O=C1COc2c(cccc2NC(=O)c2c(F)c(F)cc(F)c2F)N1 356840220 ZECHEEKEJZZZLE-UHFFFAOYSA-N 340.232 2.826 0 50 EFAA O[C@H]1CCCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 4520802 MREBZHCOJWWBPD-LBPRGKRZSA-N 327.306 2.712 0 50 EFAA COc1ccc(Nc2cc(NC[C@H](O)C(C)C)ncn2)c(OC)c1 357506861 VXTBAAZZVQRGFB-AWEZNQCLSA-N 332.404 2.666 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)NCc2cccc(OC)n2)o1 152623625 RLGBMUIVBAUXSB-OAHLLOKOSA-N 345.399 2.529 0 50 EFAA CCc1nc2c(c(NCc3ccc(OC)c(F)c3F)n1)CCNCC2 72456582 JXEQFSNSKSJXAJ-UHFFFAOYSA-N 348.397 2.626 0 50 EFAA CN1C(=O)C[C@@H](CN[C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)[C@@H]1c1cnn(C)c1 328622294 IKFRIMSZXCBHAP-LONRUODHSA-N 344.503 2.744 0 50 EFAA COc1cccc(OC)c1CC(=O)N1CCC[C@@H](OCC2CC2)C1 366676784 DGRBQCUHLNIFSQ-OAHLLOKOSA-N 333.428 2.664 0 50 EFAA Cc1cccc(OCC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1C 218997689 WSJQBKDMFCRPAH-INIZCTEOSA-N 344.455 2.590 0 50 EFAA COc1ccc(CCNC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33089028 XNSYNZXGCFIHOU-UHFFFAOYSA-N 348.402 2.539 0 50 EFAA biogenic C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 329763367 UKMXPYGJWGHDLI-AXFHLTTASA-N 347.337 2.653 0 50 EFAA Cn1nccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 124512820 ULMOCIRAWHSZCL-UHFFFAOYSA-N 327.432 2.548 0 50 EFAA CNC(=O)Cc1noc(CN[C@@H]2CC(C)(C)CCc3ccccc32)n1 242302261 YQWHMRYUGJKCRW-OAHLLOKOSA-N 342.443 2.552 0 50 EFAA Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1C 283379477 CZQBINSCYNMSBB-CYBMUJFWSA-N 326.322 2.720 0 50 EFAA Cn1ccc(N2CC[C@H](Nc3ncnc4c3oc3ccccc34)C2)n1 377725111 IWRCIHCLGWOODM-LBPRGKRZSA-N 334.383 2.800 0 50 EFAA O=C1OCCN1CCn1ccnc1-c1cnc(C2CCCCC2)nc1 71765394 CSAADLAZGBFRMU-UHFFFAOYSA-N 341.415 2.840 0 50 EFAA CS(=O)(=O)N1CC[C@@H](CN(Cc2ccccc2)CC2CCC2)C1 338234176 YPHRXVCNAUFZMF-SFHVURJKSA-N 336.501 2.570 0 50 EFAA CC(C)[C@@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(Cl)cc1 157366177 VMCXKSVZHPQATK-OAHLLOKOSA-N 338.791 2.522 0 50 EFAA Cc1csc(C2(NC(=O)Cc3ccc(C(=O)O)cc3)CCC2)n1 263333163 MRIFNSHTLGGVIL-UHFFFAOYSA-N 330.409 2.888 0 50 EFAA CO[C@H]1C[C@@H](NC2CCN(c3cc(C)nc(C)n3)CC2)C12CCC2 333827622 KXWLZRCIADVRMS-SJORKVTESA-N 330.476 2.609 0 50 EFAA FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 376032076 YKESKPZKTVIRNE-UHFFFAOYSA-N 330.335 3.000 0 50 EFAA Nc1nc(CCC(=O)N2CCO[C@@H](CC3CCCCC3)C2)cs1 71767808 UHYLMRABBFLUGZ-HNNXBMFYSA-N 337.489 2.856 0 50 EFAA FC(F)(F)[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)CCO1 71760901 VEZAVIVXGFQXCU-KRWDZBQOSA-N 342.405 2.957 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H](N)c1ccccc1 77353945 PPBQKGOTCZOROY-GOSISDBHSA-N 338.386 2.670 0 50 EFAA CCc1cc(N(C)Cc2nncn2C(C)C)n2nc(C)c(C)c2n1 72469145 CXNPCPZNIRVJSE-UHFFFAOYSA-N 327.436 2.717 0 50 EFAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(c2ccc(Cl)cn2)CC1 77390953 DYLKCCCNTSXMNW-ILXRZTDVSA-N 331.847 2.986 0 50 EFAA O=C(O)c1cccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1 238207136 GDNIBIWKYHTQML-UHFFFAOYSA-N 343.354 2.960 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)c1ccccc1[C@H]1CCNC1 72129480 FACURWXTOOYMAY-AWEZNQCLSA-N 339.439 2.903 0 50 EFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)ncn2C 284429821 FLROCFOTMLILLH-KXBFYZLASA-N 339.443 2.971 0 50 EFAA c1ccc(-n2cc(CN3CCc4[nH]nc(C5CCC5)c4C3)nn2)cc1 72170459 YYBJKALRXJCQCG-UHFFFAOYSA-N 334.427 2.816 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCO[C@H]2CCCC[C@H]21 239760910 CIIDLQPOBJXTFD-WQDJSCAQSA-N 327.424 2.897 0 50 EFAA CCn1ccnc1[C@@H](NCc1nc(C)ccc1O)C1CCOCC1 284826963 VHLJTZGEEWLEQU-KRWDZBQOSA-N 330.432 2.570 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)s1 241862538 SQYDIPOQFFIRRA-XQQFMLRXSA-N 343.470 2.551 0 50 EFAA CC(C)n1cc([C@@]2(O)CCN(Cc3c(F)cccc3Cl)C2)nn1 285557554 RBKQVBBUNFOXRW-MRXNPFEDSA-N 338.814 2.745 0 50 EFAA COC[C@H]1CN(C(=O)/C=C(\C)c2ccccc2OC)CC(C)(C)O1 285669281 ZAAKLCFYILSTFE-YVGNARHYSA-N 333.428 2.751 0 50 EFAA C[S@](=O)c1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1 175824014 DBRJNHRBKUQHOS-QHCPKHFHSA-N 332.429 2.559 0 50 EFAA O=C(c1cc(-c2cn[nH]c2)nc2ccc(F)cc12)N1CCSCC1 20536597 AUFLYWVQXLJVOM-UHFFFAOYSA-N 342.399 2.953 0 50 EFAA O=C(CC1=CSC2=NCCCN12)NCc1ccc2c(c1)CCCO2 223479141 YGUFHFZWBKVXKI-UHFFFAOYSA-N 343.452 2.668 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cnn4ccccc34)CC2=O)cc1 82121224 JDJRXWSOUHMUMN-OAHLLOKOSA-N 348.406 2.520 0 50 EFAA CCc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)[nH]1 91390963 QUXZGINQAYFVRE-FQEVSTJZSA-N 343.471 2.832 0 50 EFAA CN1C[C@@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)Oc2ccccc21 97745182 BZRGXISFFPXLBU-FQEVSTJZSA-N 347.418 2.950 0 50 EFAA O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)NC1CCNCC1 426677857 FBDQGRUWBDPSNK-KRWDZBQOSA-N 345.418 2.992 0 50 EFAA CC(C)(CC12CC3CC(CC(C3)C1)C2)NC(=O)NCc1nc(O)n[nH]1 426423147 XEFRVDCPVWQOSG-UHFFFAOYSA-N 347.463 2.695 0 50 EFAA CN(Cc1c[nH]nc1-c1cccnc1)C[C@@H]1COc2ccccc2O1 179635198 IMIBTASNTZVLDQ-MRXNPFEDSA-N 336.395 2.744 0 50 EFAA COc1cccc(-c2cc(CN3C[C@@]4(CCOC4)CCC3=O)on2)c1 91593955 ROGQSEZDVYYGJY-IBGZPJMESA-N 342.395 2.879 0 50 EFAA Cc1ncncc1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95376371 YZAYOJPNWTZEQT-HNNXBMFYSA-N 325.368 2.503 0 50 EFAA CCCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)n[nH]1 91707088 IXNXQPZARWHMNH-INIZCTEOSA-N 340.471 2.890 0 50 EFAA Cn1c(C(=O)N2CC[C@]3(CCCNC3=O)C2)cc2cccc(Cl)c21 92028549 JXIMACLMRZAACL-GOSISDBHSA-N 345.830 2.574 0 50 EFAA CCc1noc(C)c1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 97495483 PNHLPQUFXVLURY-QGZVFWFLSA-N 342.443 2.897 0 50 EFAA CCn1c(C)nnc1SCCNC(=O)C[C@@H]1CCc2ccccc21 91858824 YXDVRLXRIVRXQC-HNNXBMFYSA-N 344.484 2.935 0 50 EFAA CN(CCc1cnn(C)c1)[C@@H](C(=O)O)c1ccc(F)cc1Cl 95388069 BOVXQKCKAQCODI-CQSZACIVSA-N 325.771 2.513 0 50 EFAA O=S1(=O)CC[C@@H](c2nc(-c3ccncc3)nn2C2CCCCC2)C1 96139274 RVJMQYHNPXCLOP-CQSZACIVSA-N 346.456 2.747 0 50 EFAA Cc1nc(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)sc1C 91625056 FYCMZXZULMCYIN-ZDUSSCGKSA-N 347.415 2.684 0 50 EFAA COC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F 95912911 COSCWKICERLCEK-UHFFFAOYSA-N 345.298 2.691 0 50 EFAA O=C(CN(Cc1nccs1)C1CC1)NCCc1ccc(F)cc1 244691711 JHVMQMCRZFTSKL-UHFFFAOYSA-N 333.432 2.606 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1cc(C2CC2)n[nH]1 244899887 ZSHSZNUFOGCJTO-QEORTHHSSA-N 329.375 2.668 0 50 EFAA O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2cccc(F)c2n1 254814330 JIKUUNGBNYDORZ-AULYBMBSSA-N 330.359 2.995 0 50 EFAA C[C@]1(c2ccccc2)CN(C(=O)c2ccc(C(=O)O)s2)CCO1 299746144 VRACWGHNQVVMBK-QGZVFWFLSA-N 331.393 2.834 0 50 EFAA CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cc(O)ncn1 534630540 SIWIPFWTVNGLBS-HNNXBMFYSA-N 329.404 2.650 0 50 EFAA Cc1nc(O)cc([C@H]2CCCN(C(=O)Nc3ccc(Cl)nc3)C2)n1 299758368 PBPAFGVCCCCHME-NSHDSACASA-N 347.806 2.951 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)Nc3cnn(C)c3)C2)cc1 299772591 CQLXPOFSTIZXMT-CQSZACIVSA-N 344.415 2.752 0 50 EFAA O=C(c1ccn(C(F)F)n1)N1CCCN(C2CCCCC2)CC1 299758917 FLHJIFVPLWEQRX-UHFFFAOYSA-N 326.391 2.759 0 50 EFAA Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCc3cn[nH]c32)N(C)C)cc1 268909294 NQMUAAAFWKKWDI-SJORKVTESA-N 341.459 2.698 0 50 EFAA O=S(=O)(CC1CCCC1)NCCOc1cccc2cccnc12 828387655 DWXWGZKSECWGDQ-UHFFFAOYSA-N 334.441 2.723 0 50 EFAA COc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cc1OC 824734953 NIFPKSPIXOAFGX-UHFFFAOYSA-N 342.395 2.966 0 50 EFAA CCN(C[C@@H]1CCN(C)C1)C(=O)NCc1ccc(F)cc1Cl 584898471 KVIUZCCXXANEFL-GFCCVEGCSA-N 327.831 2.962 0 50 EFAA COc1ccc2cc([C@H](C)NC(=O)CCCNC(C)=O)ccc2c1 670434012 BDEGHUUQVFREMI-ZDUSSCGKSA-N 328.412 2.942 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCC1=NNC(=O)CC1 670434648 FTFLMBXRBHQJAS-HNNXBMFYSA-N 343.427 2.760 0 50 EFAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2CCCCC[C@@H]2C1 1875296777 OLKVYUJZXZPKPN-KZNAEPCWSA-N 343.471 2.695 0 50 EFAA C[S@](=O)(=NC(=O)[C@H]1Cc2ccccc2S1)c1ccc(N)cc1 1875281393 RXVBOYOCLVUQQF-IVZQSRNASA-N 332.450 2.969 0 50 EFAA CN(C)C/C=C/C(=O)NCc1cc(Oc2ccc(F)c(F)c2)ccn1 1875376781 IDUBAQDPKWFBNU-ONEGZZNKSA-N 347.365 2.886 0 50 EFAA CCSCC(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 1875333208 IQXWZQOAGZZPEJ-UHFFFAOYSA-N 335.450 2.912 0 50 EFAA Cc1cc(-c2noc(C3CC4(CC4)C3)n2)cc(C)c1CS(N)(=O)=O 952876505 UAHUBIKAOLHGAL-UHFFFAOYSA-N 347.440 2.800 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](Cn1cccn1)C(C)C 886094891 GGBOBFMEPLHJCT-AOIWGVFYSA-N 345.491 2.625 0 50 EFAA CC(=O)N1C[C@H](NCc2cn(C(C)C)nc2C)CC[C@H]1C(F)(F)F 886035274 PFACTXKXCSLCOV-CABCVRRESA-N 346.397 2.804 0 50 EFAA c1ccc(-n2cnc3c(N[C@H]4CCNC5(CCC5)C4)ncnc32)cc1 900022750 ZJDKSEHCWSEZHE-AWEZNQCLSA-N 334.427 2.902 0 50 EFAA Cn1ccnc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC1CC1 1775994910 PVHNUZXVUANVCR-JKSUJKDBSA-N 348.491 2.935 0 50 EFAA Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)n1 1565506624 YCYSLQCSIBYGPC-WBVHZDCISA-N 342.418 2.594 0 50 EFAA Cn1ncc(CNc2ccc(Cl)c(S(C)(=O)=O)c2)c1C1CC1 1364898203 UHPRSHYJEXJOSU-UHFFFAOYSA-N 339.848 2.967 0 50 EFAA CC[C@H](NC(=O)NCc1ccc(Cl)cc1OC)c1noc(C)n1 1365107345 JMKLGPROBKEPIM-LBPRGKRZSA-N 338.795 2.991 0 50 EFAA CN(Cc1ccccc1)C(=O)N1CCC(Nc2cccnn2)CC1 185865963 RSHOANCNOLMKGU-UHFFFAOYSA-N 325.416 2.605 0 50 EFAA Cc1cnc(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)s1 277323921 AADMHGGWFRGCEF-UHFFFAOYSA-N 343.452 2.588 0 50 EFAA CCOc1ccc2cc(C(=O)N3CCN(CC)C(=O)C3(C)C)[nH]c2c1 186446223 QKBQKCUCBUIKFL-UHFFFAOYSA-N 343.427 2.650 0 50 EFAA Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCC(=O)[C@@H](C)C1 186593189 WPSLYIDLWOKECW-DOTOQJQBSA-N 344.455 2.577 0 50 EFAA CCCC(=O)N[C@H]1CCCN(c2cc(Br)ccn2)C1 170598858 SQEYLOPYWGYPAW-LBPRGKRZSA-N 326.238 2.729 0 50 EFAA COc1ccc(/C=C/C(=O)NC2(C3CC3)CCOCC2)c(OC)c1 170596675 GXSHADWCBJRBPR-XBXARRHUSA-N 331.412 2.792 0 50 EFAA Cn1c(S)nc2cc(C(=O)N3CCC4(CCCC4)C3)ccc2c1=O 170643609 BVAMPDDHYNOHCO-UHFFFAOYSA-N 343.452 2.629 0 50 EFAA C[C@H]1CCCCN1CCC1CCN(C(=O)CCc2cncn2C)CC1 170610647 LOTORUNSSMRPBU-KRWDZBQOSA-N 346.519 2.856 0 50 EFAA c1ccc(CN2C[C@H]3[C@@H](Nc4ncnc5nccnc45)CC[C@H]3C2)cc1 680018189 YUPNQAFZFYBADV-BBWFWOEESA-N 346.438 2.742 0 50 EFAA O=C(Nc1nc(-c2cccs2)ns1)[C@H]1CCn2cncc2C1 408513894 GMNOBTJGTMNNFO-VIFPVBQESA-N 331.426 2.664 0 50 EFAA O=C(O)CCCc1nc2ccccc2c2nc(-c3ccccn3)nn12 408525761 BUJOHMQQNCZTQP-UHFFFAOYSA-N 333.351 2.747 0 50 EFAA CCOCCn1ncc2c(C(=O)OC)c(Br)ccc21 408525010 HBFGZNNQPSVEJW-UHFFFAOYSA-N 327.178 2.622 0 50 EFAA CN(C)C(=O)c1ccc(N2CC[C@H](C(F)(F)F)C(C)(C)C2)nn1 413257347 DVKBBJSCCBFKPL-NSHDSACASA-N 330.354 2.593 0 50 EFAA O=C1C[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CN1 192072741 HIKDLCMHNDRZFV-QMMMGPOBSA-N 346.736 2.600 0 50 EFAA CCC(CC)n1ccc(C(=O)NCc2cccc(S(C)(=O)=O)c2)n1 650973443 HQMKOMVWJMRUPE-UHFFFAOYSA-N 349.456 2.578 0 50 EFAA O=C(C[S@@](=O)c1cccs1)Nc1cccc(N2CCCC2=O)c1 194616447 IOKRWXROQNMXFF-HSZRJFAPSA-N 348.449 2.621 0 50 EFAA CC[C@H](C)[C@@H]1NC(=O)N([C@H](Cc2ccccc2)c2ncco2)C1=O 653525518 WLYNFUWBLUCKNY-CFVMTHIKSA-N 327.384 2.925 0 50 EFAA CCCc1ncc(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)o1 654091153 PMKSSOKIPNIQGV-ZDUSSCGKSA-N 330.384 2.503 0 50 EFAA Cc1cccc2c(O)nc(COC(=O)c3ccc4cc[nH]c4n3)nc12 782364878 OQNHPZMFTNNGOV-UHFFFAOYSA-N 334.335 2.877 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)Cn1cc2ccccc2n1 1506429591 RTNFHYUBEYOLHZ-UHFFFAOYSA-N 337.408 2.700 0 50 EFAA Cc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 621224 IUPROHWKUBLVHP-UHFFFAOYSA-N 326.377 2.609 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529189555 RJAUKLWPZJBRHN-ZSYWTGECSA-N 329.440 2.916 0 50 EFAA COCCn1ccnc1CN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529161252 FIYIRMVGGFCLKB-RBUKOAKNSA-N 341.455 2.882 0 50 EFAA Cc1ccc(Cl)c(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1F 1529177720 DOPKELCQXWEEAI-MLGOLLRUSA-N 335.810 2.613 0 50 EFAA Cc1nc(CCCNc2nccc(N3CCC[C@@H](O)C3)n2)sc1C 1704297463 SUXXEHLRUYUNOW-CQSZACIVSA-N 347.488 2.556 0 50 EFAA O=C(COc1ccc(Br)cc1Cl)NC[C@H]1CCCO1 458129 LYOIEPOHGIXEFH-SNVBAGLBSA-N 348.624 2.777 0 50 EFAA CC[C@@H](Cc1ccco1)N1CCCN(C(=O)c2cscn2)CC1 1775983405 WUZGAMSLEOTUPJ-AWEZNQCLSA-N 333.457 2.905 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc3cc(Cl)ccc3n1)C2 1772706731 LQEUICHCAKZODJ-ACJLOTCBSA-N 346.814 2.811 0 50 EFAA Nn1c(S)nnc1-n1nc(-c2ccccc2)cc1-c1ccccc1 5731512 MDUJDGVXXBFONW-UHFFFAOYSA-N 334.408 2.800 0 50 EFAA O=C(NCCc1cscn1)c1coc(COc2ccccc2F)n1 12300024 ODKRSFQHGIQUSO-UHFFFAOYSA-N 347.371 2.822 0 50 EFAA CSCCCNC(=O)CCc1nnc(Cc2cccc(C)c2)o1 12470532 FRCWMCGYQNNVIU-UHFFFAOYSA-N 333.457 2.771 0 50 EFAA Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16362214 JCGZBCWIYGMUFL-AWEZNQCLSA-N 338.473 2.729 0 50 EFAA CCn1c(CN2CCOCC2)nc2cc(NC(=O)CC(C)C)ccc21 16650137 WVCDYSOJDHITSX-UHFFFAOYSA-N 344.459 2.873 0 50 EFAA CN1CCC[C@]2(CCCN(CCc3nc(-c4ccccc4)n[nH]3)C2)C1 19219591 XVNUFHUPJFLQFY-FQEVSTJZSA-N 339.487 2.822 0 50 EFAA CN1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 19633889 UGDKVOGTFJNETK-UHFFFAOYSA-N 327.211 2.847 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 6697324 DXQSBJNRGTWNMB-AWEZNQCLSA-N 346.452 2.964 0 50 EFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 6725419 GELDDCZLWZAGHR-DETCHVMESA-N 331.368 2.533 0 50 EFAA O=C(CCCn1nnc2ccccc2c1=O)Nc1ccccc1Cl 5270837 COCPMWKPGKCXBR-UHFFFAOYSA-N 342.786 2.864 0 50 EFAA CCCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 2857389 BJGAXCWQDFZRGU-KRWDZBQOSA-N 340.379 2.605 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc3sc(=N)[nH]c3c2)on1 1857737897 IKIICMMYMATLBA-GFCCVEGCSA-N 328.397 2.983 0 50 EFAA O=C(Nc1ccnn1-c1ccc(Br)cn1)c1ccccn1 328588383 ONXOPHWNTHWXCG-UHFFFAOYSA-N 344.172 2.677 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 330171542 FNXYEFSEUYLYQU-DZGCQCFKSA-N 330.428 2.765 0 50 EFAA COc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1C(=O)O 237324805 HTFZBHWTNGUGHB-GJZGRUSLSA-N 343.354 2.952 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 238009982 KYCYIJHXDHKSBF-MRXNPFEDSA-N 341.411 2.518 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 238206243 KOBYBURVXIBSOR-INIZCTEOSA-N 347.317 2.877 0 50 EFAA NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ncnc2ccsc12 343756640 FMVUUBHNGBTAPA-LBPRGKRZSA-N 332.816 2.853 0 50 EFAA Brc1cnc(N2CCC[C@H](C[C@H]3CCOC3)C2)nc1 369472124 RPPIVFIEQFSSCK-VXGBXAGGSA-N 326.238 2.882 0 50 EFAA C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cnc(C(=O)O)cn1 263281975 OQTSRBOQOFIMBV-JTQLQIEISA-N 333.775 2.531 0 50 EFAA Cn1nnc2cc(NC[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)ccc21 843422981 KEHMQUCZTCODNE-SGTLLEGYSA-N 343.431 2.637 0 50 EFAA Cc1ncc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)s1 1670287762 BVLBYBCPRZZYAL-OAHLLOKOSA-N 348.449 2.617 0 50 EFAA Cc1nn(C)c(/C=C/c2cc(C(=O)O)c3c(C)nn(C)c3n2)c1Cl 901530636 PUSZBYZNVRSRII-AATRIKPKSA-N 345.790 2.841 0 50 EFAA O=C(O)[C@@]1(c2ccccc2)CCN(Cc2ccc(-c3cc[nH]n3)o2)C1 901830812 UWAQXEWWJAMDMO-IBGZPJMESA-N 337.379 2.898 0 50 EFAA CN1C(=O)CCC[C@H]1C(=O)Nc1cccc(OCC(F)(F)F)c1 906096122 BHBKVIBWAPURHR-LBPRGKRZSA-N 330.306 2.577 0 50 EFAA O=C(NC[C@@H]1C[C@H]1C(F)(F)F)Nc1cnn(-c2ccccc2)n1 930635602 BURISXNKONMUQT-GXSJLCMTSA-N 325.294 2.587 0 50 EFAA Cc1cc(O)nc(N2CCC[C@H](Nc3ncnc4sccc34)C2)n1 1262705245 CMYZEHNHQGZLEH-NSHDSACASA-N 342.428 2.576 0 50 EFAA COc1ccc(NC(=O)CSc2nc(C)cc3c2C(=O)OC3)cc1 1446039 WMCTZCUXMDNQOY-UHFFFAOYSA-N 344.392 2.800 0 50 EFAA O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1noc2c1CCCC2 2325764888 FOEJNXPQEONCIA-UHFFFAOYSA-N 339.395 2.861 0 50 EFAA Cc1nc(-c2c[nH]c(C(=O)N3[C@H]4CC[C@@H]3C[C@H]4C(=O)O)c2)cs1 2325769443 DBYMDLMZGJWTLO-GYSYKLTISA-N 331.397 2.524 0 50 EFAA NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 246490 YIOAHVXFPXWMLZ-UHFFFAOYSA-N 326.425 2.671 0 50 EFAA COc1cc(CNCCc2ccc3c(c2)OCO3)cc(OC)c1OC 2470877 VSAWFRIBNLUSOE-UHFFFAOYSA-N 345.395 2.773 0 50 EFAA biogenic O=C(NCCCn1ccnc1)c1ccccc1C(=O)c1ccccc1 2745355 LVIAKCSZJASKLW-UHFFFAOYSA-N 333.391 2.934 0 50 EFAA C[C@@H](C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl)S(C)(=O)=O 112786418 LDDSVYLRTUDMJO-MNOVXSKESA-N 329.849 2.825 0 50 EFAA COCCN1CCN(C[C@@H](O)c2ccc(CC(C)C)cc2)C[C@H]1C 248151278 BJNTWMZTLZORGK-YLJYHZDGSA-N 334.504 2.571 0 50 EFAA O=C(CCN1CCCC[C@H]1CCn1cccn1)Nc1cccnc1 65459475 NWRIYCQGIWYEHA-KRWDZBQOSA-N 327.432 2.552 0 50 EFAA O=C(COCCc1ccccc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348263483 KRIWKBYTBLQDBB-OALUTQOASA-N 343.398 2.719 0 50 EFAA CCc1ccc(-c2nccn2Cc2ccc3c(c2)n(C)c(=O)n3C)nc1 71754365 QVPFBAHXTLCUQE-UHFFFAOYSA-N 347.422 2.746 0 50 EFAA O=C(Cn1c(C2CC2)nc2ccccc21)N[C@H]1CCN2CCCC[C@@H]12 229315968 AMCGYDODQNQYOK-IRXDYDNUSA-N 338.455 2.657 0 50 EFAA Cc1cc2c(c(-c3cc(C(=O)N4CCCC4)ccn3)c1)O[C@@H](CN)C2 67847463 XHWOOLRFWOGSQF-MRXNPFEDSA-N 337.423 2.555 0 50 EFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCN(c3cccnn3)C2)s1 252517398 HPOIQQWTZKKGTL-ZNMIVQPWSA-N 342.468 2.735 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)Nc2c1c(C(C)(C)C)nn2C 65503958 GULXIZQXDOXRSZ-VIFPVBQESA-N 335.839 2.887 0 50 EFAA O=C([C@@H]1CCc2ccccc2C1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 327080150 GFFVCHQDCOVVMY-CJNGLKHVSA-N 341.329 2.657 0 50 EFAA COc1ncccc1C(=O)CSc1nnc(-c2ccccc2O)[nH]1 253425125 PIQYIPUZNZYITI-UHFFFAOYSA-N 342.380 2.556 0 50 EFAA COc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1OCCN(C)C 216089551 OJSOKKVVZNJQIB-QZTJIDSGSA-N 348.487 2.779 0 50 EFAA CCc1nnc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)o1 331874571 UHIUQDDSTBKKNA-JTQLQIEISA-N 343.353 2.764 0 50 EFAA CSCCN1CCN(Cc2cn[nH]c2-c2cccc(F)c2)CC1 216125722 NTRTWFJKDRRHRN-UHFFFAOYSA-N 334.464 2.696 0 50 EFAA CCSc1nc(CC(=O)N2CCC(c3cc[nH]n3)CC2)cs1 219298143 NXPZFEUOVPOZIM-UHFFFAOYSA-N 336.486 2.927 0 50 EFAA CC(C)n1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cn1 39454939 ZBUIFASUCHVPIF-HXUWFJFHSA-N 348.535 2.913 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 152853846 HRWZKHYSIYEFPD-ZBFHGGJFSA-N 340.423 2.738 0 50 EFAA Cc1cc(C)nc(N2CCC(Oc3ccccc3F)(C(=O)O)CC2)n1 72462941 DVJNKYMLQRIFPZ-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCN1C 124636339 MBGBYOKQQJHKLJ-RLLQIKCJSA-N 343.515 2.840 0 50 EFAA C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC2(CCCO2)CC1 71771097 PURHBPQLGYRWFU-LBPRGKRZSA-N 325.355 2.904 0 50 EFAA Cc1nc(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)cs1 72422354 LCYFMBJHLWURFK-MRXNPFEDSA-N 331.441 2.597 0 50 EFAA Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cn1 156517515 WMNCJIUAFMLVGU-KRWDZBQOSA-N 343.402 2.756 0 50 EFAA COc1ccc(-c2ncc(C(=O)N3CC[C@@H](N)C[C@@H]3C)s2)cc1 237486409 KVOSWRMRLZMLNY-WCQYABFASA-N 331.441 2.771 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)ccn1 77379534 ZSPQLMYBVYRBMY-QGZVFWFLSA-N 338.407 2.754 0 50 EFAA O=C(c1cnsn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72411289 SOJFAIUVEMJXFY-QILLFSRXSA-N 343.452 2.831 0 50 EFAA Fc1cccc([C@H]2CN(Cc3ncc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72163222 IHWATVNLCVYWEA-NIKGAXFTSA-N 344.409 2.750 0 50 EFAA O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)c1n[nH]c2c1CCC2 215324061 HJKHXAHVUDYJDR-GFCCVEGCSA-N 344.846 2.808 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)Cc2c(C)nc(N)nc2C)c1 77378364 SYFPLWHLEZHAEG-QGZVFWFLSA-N 340.427 2.590 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 285323192 NUTXZVUDGLWUNO-NSHDSACASA-N 339.399 2.850 0 50 EFAA O=c1[nH]c2ccccc2nc1CN1CCO[C@@H](c2ccc(F)cc2)C1 71757028 QAFKQJRVGFCWMS-GOSISDBHSA-N 339.370 2.636 0 50 EFAA CSc1ncccc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82092824 HSKWDGVHDPBGET-UHFFFAOYSA-N 341.436 2.601 0 50 EFAA O=C(NC1CCN(CCc2ccccc2)CC1)C(F)(F)C(F)F 175972140 DBSCDFYKMSUFLE-UHFFFAOYSA-N 332.341 2.710 0 50 EFAA Cc1cc2c(cc1C(=O)NC[C@H]1OCCc3ccccc31)OCCO2 221229042 JGRGINVLFPGBLS-LJQANCHMSA-N 339.391 2.810 0 50 EFAA COC(=O)c1ccsc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 17070864 QIEBPZRXOWYLGO-NWDGAFQWSA-N 337.397 2.920 0 50 EFAA C[C@]1(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CCCC[C@H]1O 178368962 FKYCPEWFJDRHTQ-NLWGTHIKSA-N 330.472 2.708 0 50 EFAA CSc1ncc(CN2CCN(CCc3ccccc3)CC2)cn1 223932064 WJNRCNBMHBPJSO-UHFFFAOYSA-N 328.485 2.559 0 50 EFAA Cc1ccccc1[C@H](CNC(=O)c1cc(C(C)C)nn1C)N(C)C 82121161 MEMLPHZZMCZKBG-SFHVURJKSA-N 328.460 2.885 0 50 EFAA Cc1cccc(-n2nc(-c3ccc(C)o3)nc2Cn2ccccc2=O)n1 97213319 IMKWKJKHBZLTKT-UHFFFAOYSA-N 347.378 2.749 0 50 EFAA CC[C@@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)c1ccc(C)cn1 97716864 HKGRXLJWEITWTJ-MRXNPFEDSA-N 340.427 2.951 0 50 EFAA O=C(NC[C@@H]1CCCO1)Nc1ccc(OCc2ccccn2)cc1 96137302 QDZYYGDGONCMFT-KRWDZBQOSA-N 327.384 2.961 0 50 EFAA CC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)CCCc2ccc(F)cc2)C1 91951258 FFDHPKJTENYDNA-MSOLQXFVSA-N 334.435 2.768 0 50 EFAA CCCn1cc(C(=O)N2CCC(Oc3cccnc3)CC2)c(C)n1 91793669 OFAAXNOAWTWYCA-UHFFFAOYSA-N 328.416 2.680 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2Cl)CC1 95523180 XUMUKHGUEGMMGF-HNNXBMFYSA-N 338.835 2.702 0 50 EFAA C[C@H](NC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1ccccn1 180290547 CNLIHNDVVGINKN-LSDHHAIUSA-N 333.432 2.908 0 50 EFAA CCCO[C@H]1CCCN(C(=O)CCc2ccc(C(N)=O)cc2)CC1 294581463 KTUOOOFFMUDFEK-KRWDZBQOSA-N 332.444 2.526 0 50 EFAA CCN1C[C@@H](C(=O)NCCSCc2cccc(Cl)c2)CC1=O 95371481 DURSUFOYCUCQIC-ZDUSSCGKSA-N 340.876 2.558 0 50 EFAA Cc1c(Cl)cc(C(=O)N(CCO)Cc2nccn2C)cc1Cl 95358302 ACODIILOPGDROU-UHFFFAOYSA-N 342.226 2.670 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)c3scnc3C)C[C@H]2N(C)C)cc1 95378900 XJFQQHMQTRSSNZ-JKSUJKDBSA-N 345.468 2.630 0 50 EFAA COc1ccccc1OCCN1CC[C@](O)(c2ccccc2C)C1 244723933 MKNGLMMTWPCHOK-HXUWFJFHSA-N 327.424 2.976 0 50 EFAA Cc1nc(-n2cnnc2)ccc1C[C@H]1CC(=O)N(c2ccccc2)C1 243901157 AYWKOYAEYDIWNI-HNNXBMFYSA-N 333.395 2.566 0 50 EFAA Cc1cccnc1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 534587724 DSNQOEWXKGMPKG-AWEZNQCLSA-N 326.396 2.971 0 50 EFAA CCCn1cc(NC(=O)N2CCC(c3nc(C(C)C)no3)CC2)nn1 299785677 RJRAOEFLIUXGQO-UHFFFAOYSA-N 347.423 2.606 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)nc(O)n1 299785206 JPPHTZRHFOPRBV-MRXNPFEDSA-N 341.411 2.674 0 50 EFAA CCc1ccccc1NC(=O)N1CCCN(C(=O)C(F)(F)F)CC1 299773837 GCMHRNBBUSQSLY-UHFFFAOYSA-N 343.349 2.878 0 50 EFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@H](C)Cn1cncn1 820618038 DPIQIYNHHVEISS-QGZVFWFLSA-N 349.438 2.847 0 50 EFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCN1CCCC1=O 827802354 AAUAQIWPKGUUSD-INIZCTEOSA-N 326.396 2.540 0 50 EFAA COc1cccc(CCCNC(=O)N2CCC[C@H](N(C)C)CC2)c1 584891111 DWKFRXCAZIJQDO-KRWDZBQOSA-N 333.476 2.754 0 50 EFAA CCCCc1ccc(C(=O)N[C@H](C(=O)NCCCOC)C(C)C)cc1 670417834 OQAAVIZBMGTQRQ-SFHVURJKSA-N 348.487 2.936 0 50 EFAA O=C(CN1CCCCCC1)N[C@H](Cn1cccn1)c1ccccc1 670460132 KGUNIMKMMIZZCY-GOSISDBHSA-N 326.444 2.617 0 50 EFAA FC(F)(F)c1cccc(NCc2ccncc2O[C@H]2CCNC2)n1 864602204 LKTSBLOQKRLSGI-LBPRGKRZSA-N 338.333 2.848 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)o1 685943652 ZZTWPTQMVRLUIV-UGSOOPFHSA-N 342.399 2.746 0 50 EFAA CC(C)CC(=O)NCc1ccc(C(=O)NC[C@H](O)CCC2CC2)cc1 1875299580 PIACTVDRQJOGQD-GOSISDBHSA-N 346.471 2.630 0 50 EFAA C[C@H](C1CCCCC1)N(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C1CC1 1875330082 MAUDBHLBTMGPJH-KGLIPLIRSA-N 325.474 2.895 0 50 EFAA COc1cc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)ccn1 952976335 RNVKBYZNAWUXDL-GFCCVEGCSA-N 325.368 2.858 0 50 EFAA CCN(C)C1(CNC(=O)c2cc(CC(C)C)nc(N)n2)CCCCC1 952973913 SIBGPPPVQZFJQG-UHFFFAOYSA-N 347.507 2.642 0 50 EFAA CC(=O)Nc1ccc2nc(CNCc3noc(C4CC4)n3)ccc2c1 952979186 MZGTZCYHFZNMBG-UHFFFAOYSA-N 337.383 2.743 0 50 EFAA CC(C)[C@@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 890596384 ZRIDUIJZYKILOR-GFCCVEGCSA-N 331.441 2.704 0 50 EFAA COC(=O)[C@@H]1c2cncnc2CN1C(=O)CCC1CCCCCC1 1776006682 ZDGJVGKOURDOPA-KRWDZBQOSA-N 331.416 2.784 0 50 EFAA O=C(CCCc1ccc(F)cc1)N[C@H]1CCOC[C@@H]1OCC1CC1 1565508831 KEMKYQDJVWNOMQ-ROUUACIJSA-N 335.419 2.849 0 50 EFAA CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2cncnc2)cc1F 186659163 NNWPJCUJEMFQPU-MRXNPFEDSA-N 342.418 2.839 0 50 EFAA O=C(NS(=O)(=O)c1ccc(-n2cccc2)cc1)[C@H]1CC=CCC1 170597117 XLXXMXFVFAMLNO-AWEZNQCLSA-N 330.409 2.639 0 50 EFAA O=C(NCCOCC(F)F)N[C@@H]1CCOc2c(Cl)cccc21 170606366 SIXYWJIKYMHGPN-LLVKDONJSA-N 334.750 2.745 0 50 EFAA CCCc1cc(C(=O)Nc2c(C)nn(C)c2Oc2cccnc2)[nH]n1 170770577 MMLSIUICIFZNKV-UHFFFAOYSA-N 340.387 2.844 0 50 EFAA O=C(NCc1nccs1)Nc1ccnn1Cc1ccccc1F 189592297 DGEKOBMLRKBLLU-UHFFFAOYSA-N 331.376 2.849 0 50 EFAA CCc1cc2c(N[C@H](CC(N)=O)C3CCOCC3)nc(C)nc2s1 641452024 ONSJFGCOURLNLQ-CQSZACIVSA-N 348.472 2.645 0 50 EFAA CC(=O)N1CC(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 191220478 SPJJBDWODPBXEC-UHFFFAOYSA-N 336.391 2.705 0 50 EFAA COc1cc(CN(c2ncnc3onc(C)c23)C2CC2)ccc1O 192537991 PBZJFJHKIZLDQK-UHFFFAOYSA-N 326.356 2.809 0 50 EFAA CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)O)co1)c1ccccc1F 656720352 RXVNYPPRMJUCPJ-CQSZACIVSA-N 341.360 2.793 0 50 EFAA C[C@]1(C(=O)O)CCC[C@@H]1NC(=O)c1ccc(-c2ccccn2)nc1 659243781 WKDHKIGZZRKZMG-YJBOKZPZSA-N 325.368 2.517 0 50 EFAA Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cccc(OC2CC2)c1F 660557633 NBMPQGXIJJGEEA-LLVKDONJSA-N 346.406 2.969 0 50 EFAA CON1CCC(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 665766503 INDSQIIOEOGFIV-UHFFFAOYSA-N 346.471 2.858 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)c2ccccc21 669435165 WNFTUTUJLLWYEG-WMLDXEAASA-N 341.338 2.734 0 50 EFAA CN1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 533536 DVFYFWBOFXDIOO-UHFFFAOYSA-N 330.819 2.739 0 50 EFAA CCc1nn(C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1CC 1529172888 SGQVHVFSZVLJTG-UHFFFAOYSA-N 340.431 2.696 0 50 EFAA CCOc1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1Cl 1529138621 GVQSBMZPZRWQRS-RHSMWYFYSA-N 349.862 2.806 0 50 EFAA CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 615776 MOJQIEYJXPTTQY-UHFFFAOYSA-N 330.409 2.860 0 50 EFAA Cc1c(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ccn1C 1704277880 AWLYTLNWJZUYJY-OXQOHEQNSA-N 349.434 2.557 0 50 EFAA Cn1nccc1CCc1nc(-c2cccc(F)c2)nn1[C@@H]1CCOC1 1772803933 AXLCRQKCTBYIJL-MRXNPFEDSA-N 341.390 2.564 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 1772701036 MAGQQMYCAHIXSK-WBMJQRKESA-N 344.846 2.925 0 50 EFAA COCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 5027878 FBEQDQCQAGCCFX-SNVBAGLBSA-N 339.442 2.683 0 50 EFAA O=C1CC[C@H](CCNCc2ccccc2F)N1CCc1ccncc1 12160984 VRUJHAFSFDXPKM-GOSISDBHSA-N 341.430 2.934 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 19731160 JGCSMYPCPKHPEI-FIIODCPWSA-N 343.448 2.931 0 50 EFAA Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)sc1C 19939213 IAAODWLSWRKHAS-CYBMUJFWSA-N 335.473 2.557 0 50 EFAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C1 169751676 OGJFTVTTZFCSLT-CYBMUJFWSA-N 335.354 2.574 0 50 EFAA CN1CCN(C(=O)c2ccccc2NC(=O)Nc2ccccc2)CC1 2841649 GUNLUOBETGGXFW-UHFFFAOYSA-N 338.411 2.718 0 50 EFAA CCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2892279 QDQAMXLKHDIPKV-UHFFFAOYSA-N 332.787 2.994 0 50 EFAA OCc1cn(-c2ccccc2F)nc1-c1ccc2c(c1)OCCO2 2541937 ASDHXJJQGSYAEO-UHFFFAOYSA-N 326.327 2.942 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(Cl)ccc1F)C2 1857691494 NLODQLYRDSZYGP-OAHLLOKOSA-N 326.755 2.536 0 50 EFAA CN(C)C(=O)C[C@]1(O)CCCN(c2ccc3ccc(Cl)cc3n2)C1 1857530317 DMWVRFHYWDIVPV-GOSISDBHSA-N 347.846 2.698 0 50 EFAA Cc1nnc2n1C[C@@H](Cn1ccnc1-c1ccnn1-c1ccccc1)C2 1857690086 VRYSTDZMSWTVGY-OAHLLOKOSA-N 345.410 2.508 0 50 EFAA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)cccc1O 433831089 BTEJNDUEVJPDRO-UHFFFAOYSA-N 335.381 2.762 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)c1ccncc1Br 124184622 CTXGBHNVAJTHMK-UHFFFAOYSA-N 348.244 2.836 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 237264826 XYQXMXQTAXUIJS-ZDUSSCGKSA-N 332.835 2.597 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1ccoc1 238046308 ONBOLTYSXNPKDX-HNNXBMFYSA-N 342.351 2.611 0 50 EFAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 240333626 FEKUXIMUHPTSNZ-NQNKBUKLSA-N 344.459 2.624 0 50 EFAA O=C1C[C@H](c2nc(-c3cocn3)no2)CN1c1ccccc1Cl 350877260 KOVHVHCYOGHISI-VIFPVBQESA-N 330.731 2.899 0 50 EFAA CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 363320144 YBAMQLFWPSWLNW-PKOBYXMFSA-N 338.455 2.961 0 50 EFAA COc1ccc(Cc2nc(-c3ccc(S(C)(=O)=O)o3)no2)c(C)c1 904093604 CNBHWKWELCYZNK-UHFFFAOYSA-N 348.380 2.641 0 50 EFAA CC(C)(NC(=O)[C@H]1CCCC(=O)N1)c1ccc(C(F)(F)F)cc1 921590593 KIAQKFDRZIJZFQ-GFCCVEGCSA-N 328.334 2.725 0 50 EFAA CCn1cc(C(=O)Nc2c(-c3cccc(F)c3)n[nH]c2C2CC2)nn1 822354395 UJEBSPHXWSFOHQ-UHFFFAOYSA-N 340.362 2.957 0 50 EFAA CC(C)(O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]ccc2n1 2325782119 ZMOGQQXHQZRTQE-KRWDZBQOSA-N 341.386 2.814 0 50 EFAA CCOc1ccc(C(C)=O)cc1CN1CCN(C23CC(C2)C3)CC1 2325796462 RWLIPDPWWVEGTK-UHFFFAOYSA-N 328.456 2.958 0 50 EFAA C[C@H](NC(=O)[C@H](O)C(C)(C)N)c1ccc(-c2ccc(F)cc2)cc1 2325801817 XOMLDOIRIAKHLB-SJCJKPOMSA-N 330.403 2.768 0 50 EFAA O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)cc2c1CNCC2 2325857068 OBWMYKSMGRXLOB-UHFFFAOYSA-N 337.358 2.509 0 50 EFAA CN1CCC[C@H](CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)[C@@H]1c1ccccc1 245344088 XIOXWQWCUUAPLK-NNIGNNQHSA-N 343.471 2.689 0 50 EFAA Cc1c(S(=O)(=O)N[C@H](C)c2nccs2)c2ccccc2n1C 225448354 DLFIMHUGFAWZDP-SNVBAGLBSA-N 335.454 2.983 0 50 EFAA COc1cc(-c2ccc(CN(C)C)cc2CO)cc(OC)c1OC 2356153749 SYOQHDJQXFOTAQ-UHFFFAOYSA-N 331.412 2.933 0 50 EFAA CCC(=O)Nc1cccc(C(=O)NCCCn2ccnc2CC)c1 55089587 SEZOOLDYDOYDMK-UHFFFAOYSA-N 328.416 2.614 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1NS(C)(=O)=O 248273891 XKCBODONISQNJI-ABHRYQDASA-N 336.457 2.672 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 249690159 JZZXEBZUAMISNL-CGTJXYLNSA-N 341.455 2.588 0 50 EFAA COC(=O)c1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1 20539951 YPRSAJNHEFVUHU-MRXNPFEDSA-N 327.380 2.575 0 50 EFAA CCn1c([C@@H]2CCCN(C(=O)c3cc(C(C)C)oc3C)C2)n[nH]c1=O 67881183 WICFGZLUCWSQPH-CYBMUJFWSA-N 346.431 2.636 0 50 EFAA CN(C(=O)CC(C)(C)O)[C@H](c1ccc(Cl)cc1)c1cnccn1 350152095 JUZJWMRKDTYGRP-MRXNPFEDSA-N 333.819 2.839 0 50 EFAA CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2C1CCNCC1 65455790 SKOVTHMDMZBIRP-ZDUSSCGKSA-N 345.443 2.859 0 50 EFAA COc1cnc2ccccc2c1C(=O)Nc1nc2ccc(F)cn2n1 252482772 DNMSFNGTSQJHTP-UHFFFAOYSA-N 337.314 2.678 0 50 EFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@@H](O)c1cccc(Cl)c1 229614714 LEJRUYJPNNAMOQ-KHIZAZIESA-N 347.798 2.718 0 50 EFAA CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 252513913 AVGVGGVDRFCEAA-GLUHHBOGSA-N 337.460 2.914 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C[C@@H]1N(C)C 229917482 PZGKKINSSMISRC-JMSVASOKSA-N 347.484 2.532 0 50 EFAA O=C(NCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1cccnn1 67725858 QMFSUFXOWWBJLE-UHFFFAOYSA-N 349.438 2.600 0 50 EFAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCc3sccc3C2)c1 1506417002 JGFJYIONJPEJCS-INIZCTEOSA-N 333.409 2.949 0 50 EFAA CN1CCC2(CCCN(Cc3cccn3-c3ncccn3)CC2)CC1 67692164 OAQZKLQLAFYVGU-UHFFFAOYSA-N 339.487 2.965 0 50 EFAA C[C@@H]1C[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CCN1Cc1ccccc1 328587038 DUDZDWWUGUNIEJ-SYNHAJSKSA-N 341.455 2.856 0 50 EFAA CCn1nccc1CCN1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 253392760 GFUKPEWUTIMGGK-MSOLQXFVSA-N 341.455 2.724 0 50 EFAA O=C1NC[C@H](CN2CCc3onc(-c4cccc5ccccc45)c3C2)O1 67771776 FCHYELOUEUXPFZ-CQSZACIVSA-N 349.390 2.961 0 50 EFAA C[C@@H]1CCC[C@@H](N2CCC(N[C@H]3CCO[C@@H]3c3nccn3C)CC2)C1 328644047 ROLVTMNTGGRROY-YSHGAJCASA-N 346.519 2.883 0 50 EFAA COc1ccccc1OCc1cc(C(=O)N(C)Cc2ccoc2)n[nH]1 67739450 KTVMLEFCLRMSIX-UHFFFAOYSA-N 341.367 2.863 0 50 EFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCn2cccc2[C@H]1C 32534852 ONNYZGVUHXJIML-DOMZBBRYSA-N 339.395 2.526 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282489867 JRGCVKVOYQQBHB-RDJZCZTQSA-N 339.370 2.579 0 50 EFAA NC(=O)[C@@H]1CCCCN1C(=O)CCn1ccc2cc(Cl)ccc21 151910201 YIIPFSSNLZZCNJ-HNNXBMFYSA-N 333.819 2.551 0 50 EFAA CN(C)Cc1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)n1C 77471372 SKAVDRQQRMGEQS-UHFFFAOYSA-N 347.894 2.910 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2ccc(Cl)cc2n1C 219269425 YKERPLMBRJOWIO-IXKJSCDLSA-N 348.830 2.611 0 50 EFAA Cc1nc(CCC(=O)N2CCC[C@@H](COc3ccccc3C)C2)n[nH]1 77299201 CEROJOPZXUHPMP-MRXNPFEDSA-N 342.443 2.672 0 50 EFAA CCn1nccc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 331377337 FGIGFSXRXSZCMC-ZDUSSCGKSA-N 331.395 2.833 0 50 EFAA COc1ccc(F)c(CN2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 72151943 XSJNBBJZLHACMK-CYBMUJFWSA-N 331.391 2.606 0 50 EFAA CC(=O)c1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)cs1 216275807 KEAGHGFWISARDR-MRXNPFEDSA-N 333.457 2.630 0 50 EFAA Cc1c(CN(C)C(=O)CN(C)Cc2cccnc2)[nH]c2ccccc12 219266973 TVQAGYIQNSYMKW-UHFFFAOYSA-N 336.439 2.962 0 50 EFAA O=C(Nc1ccsc1Cl)N1CCC(n2cnnc2O)CC1 375491567 YGRMUUKCRKIQQV-UHFFFAOYSA-N 327.797 2.568 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 375967691 DWCLZYNLZGAHAM-HNNXBMFYSA-N 338.411 2.550 0 50 EFAA Cc1csc(SCC(=O)NCc2nc3ccc(F)cc3[nH]2)n1 215143660 JIEAGIXZNQXSCX-UHFFFAOYSA-N 336.417 2.875 0 50 EFAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1cc(F)ccc1-n1cccn1 77564052 PXFQUBOWEILUIO-IRXDYDNUSA-N 342.374 2.851 0 50 EFAA COc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 72149178 BRAFNMAPSOFGRR-KRWDZBQOSA-N 347.459 2.804 0 50 EFAA COc1ccc(CCN(C)Cc2ccc(N(C)C)nc2)cc1OC 215042489 FXHPROSOQYBYMO-UHFFFAOYSA-N 329.444 2.839 0 50 EFAA C[C@@H](C1CCN(Cc2cnc(N3CCCCC3)nc2)CC1)N(C)C 77287498 DXVWIFIDXVBJRO-INIZCTEOSA-N 331.508 2.629 0 50 EFAA O=C(O)c1ccc(C[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 72136983 ADLNQQFLDYPBCO-KRWDZBQOSA-N 338.407 2.804 0 50 EFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CC[C@H]1CCCCO1 221357174 XBJHHHDOHNZTEV-MRXNPFEDSA-N 342.439 2.728 0 50 EFAA c1cc2c(cc1CN[C@@H]1CCOC3(CCOCC3)C1)OCCCO2 82100250 XJCMWXDQTKXWOK-MRXNPFEDSA-N 333.428 2.666 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1F 177770193 IEXQMLIWZWKXBA-XJKSGUPXSA-N 346.406 2.824 0 50 EFAA CCc1ncc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cn1 95379809 SYTLWINBQRJFJV-ZDUSSCGKSA-N 339.317 2.521 0 50 EFAA CC[C@H](O)CSc1nnc(CN)n1-c1cccc(C(F)(F)F)c1 426494400 TZJSEBMBEXCUHI-NSHDSACASA-N 346.378 2.608 0 50 EFAA CN(Cc1cnccn1)C(=O)C1(Cc2ccc(F)cc2)CCOCC1 293766665 RTCWMIUULBEYMA-UHFFFAOYSA-N 343.402 2.614 0 50 EFAA Cc1ccc([C@H](C)CCN2CCC(c3nnc(CO)n3C)CC2)o1 97515090 GXJFBJGVCOWQNG-CYBMUJFWSA-N 332.448 2.582 0 50 EFAA COc1ccc(-c2cc(C(=O)NCC[C@H]3CCCOC3)[nH]n2)cc1 91444549 XGNRZMCTDGBZOJ-CYBMUJFWSA-N 329.400 2.632 0 50 EFAA O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)c1cnn2c1CCC2 294813214 CCMKDHKPJYQORS-HOCLYGCPSA-N 329.444 2.973 0 50 EFAA NC(=O)c1ccccc1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 180942701 WLSPTJVDAJSTBJ-UHFFFAOYSA-N 345.765 2.771 0 50 EFAA C[C@H](c1cn2ccsc2n1)n1cc(-c2ccccc2C(=O)O)nn1 95391921 GPHBLGXNLAGMBD-SNVBAGLBSA-N 339.380 2.962 0 50 EFAA CCc1nn(C)c(NC(=O)N[C@H](CC(C)C)c2ncnn2C)c1CC 95498556 GIDUJHQXFDJROJ-CQSZACIVSA-N 347.467 2.582 0 50 EFAA C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 90728221 HGOOISFRTZCVFQ-UAGQMJEPSA-N 334.460 2.955 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)on1 91350772 BVVCUTBBKTVJNT-JTQLQIEISA-N 327.344 2.734 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC[C@]1(C)O 91986187 XYPGFAKQZZUSMD-PSLIRLAXSA-N 341.333 2.815 0 50 EFAA COc1nc2c(cc1C(=O)N(C)Cc1ccc3c(c1)OCO3)CCC2 92061656 LLVPZKQRSWMUEX-UHFFFAOYSA-N 340.379 2.580 0 50 EFAA c1cc(CN2[C@H]3CC[C@@H]2CCNC3)cc(OCCCn2ccnc2)c1 244724203 MPSNCRSKKIBYIE-MOPGFXCFSA-N 340.471 2.679 0 50 EFAA C1CCC(c2nc(CN3CCN(C4CCSCC4)CC3)no2)C1 244899600 ZMQGOXLWKSOZCU-UHFFFAOYSA-N 336.505 2.740 0 50 EFAA CS(=O)(=O)CC1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 295877869 VKUKSBRPNVGZLZ-UHFFFAOYSA-N 347.839 2.812 0 50 EFAA COc1cccc(Cl)c1CN1CCN(c2ccnc(C)n2)CC1 184765577 YBDCHIPULOWLBV-UHFFFAOYSA-N 332.835 2.769 0 50 EFAA O=S(=O)(c1ccccc1)C1CC(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 864086955 MDFYDUQQXHWBRP-RDUYEZRFSA-N 335.469 2.539 0 50 EFAA CC1CCN(CCNC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 534589102 CWEMHKVNFVAPPO-GOSISDBHSA-N 331.460 2.581 0 50 EFAA COc1cccc(C(=O)N[C@H](C)c2ccc(C)nc2)c1OCCCN 299790602 AVTDKGYFWKVNBN-CQSZACIVSA-N 343.427 2.617 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3c[nH]c4ccccc34)[C@H]2C1 299789177 SHJSSRZRLOJGPH-MOXGXCLJSA-N 342.439 2.895 0 50 EFAA Cc1ccn2c(F)c(C(=O)N[C@H](C)c3nc(C(C)C)no3)nc2c1 825240898 VVOSESVRSRBZEC-SNVBAGLBSA-N 331.351 2.779 0 50 EFAA Cc1nn(C)c(C)c1CN(C)C(=O)CCCOCc1ccccc1 737892730 SBIKFIIFLIIPAM-UHFFFAOYSA-N 329.444 2.992 0 50 EFAA Cc1cccc2c1O[C@@H](C(=O)Nc1ccc3[nH]c(C(N)=O)cc3c1)C2 1150956489 YYPWQSAPGMUKQK-MRXNPFEDSA-N 335.363 2.517 0 50 EFAA O=C(OCCC(F)(F)F)N1CCC[C@H](c2nnc3ccccn23)C1 866984459 RQRBFAWMHQMTJH-NSHDSACASA-N 342.321 2.998 0 50 EFAA C=CC(=O)N(Cc1cc(C(N)=O)cs1)[C@@H]1CCc2ccccc2C1 1875388170 PGUUQRTXICJMPT-MRXNPFEDSA-N 340.448 2.919 0 50 EFAA C=CC(=O)NCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)C1 1875363345 BXSQQZNZHOAYTC-UHFFFAOYSA-N 340.345 2.617 0 50 EFAA C=CC(=O)N(Cc1cnc(C)n1-c1ccccc1)C[C@@H]1CCCO1 1875375546 DGWOYHYFARXYAP-SFHVURJKSA-N 325.412 2.874 0 50 EFAA Cc1nc([C@@H](C)NC(=O)c2cnn(C)c2Cc2ccccc2)[nH]c1C 1875265082 KNNSVEDEBJAZHG-CQSZACIVSA-N 337.427 2.842 0 50 EFAA O=S1(=O)CCCN1[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 1875274938 CTRYPAMIKXZKFU-NSHDSACASA-N 349.283 2.603 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)C[C@@H](C)CC(F)F 1875279007 ILNYFZOEEPKMGB-JTQLQIEISA-N 349.399 2.697 0 50 EFAA CCOC(=O)[C@@H]1CSCN1C(=O)c1cnn(C(CC)CC)c1C 888093177 MZGWNIRYKJQDMW-AWEZNQCLSA-N 339.461 2.631 0 50 EFAA C[C@@]1(C2CC2)COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 890581352 KOUQETWOXMSQMM-KRWDZBQOSA-N 347.440 2.758 0 50 EFAA COCc1nccc(N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)n1 892272178 DLWFMOWPQULFQO-ZDUSSCGKSA-N 348.834 2.976 0 50 EFAA CCCC[C@@H](CC)CC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 1775992082 PHCNKTZKZKJERT-CABCVRRESA-N 336.480 2.620 0 50 EFAA C[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1nc(C(F)(F)F)n[nH]1 1365023050 FGUWFTHOJPKSLV-BPYAMOTFSA-N 338.333 2.979 0 50 EFAA Cc1nc(Cc2ccccc2)sc1C(=O)NCCc1ccnn1C 185892174 SBZYMXFXMQJDMC-UHFFFAOYSA-N 340.452 2.748 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2coc3ccccc23)CCO1 276428587 WRPITTNHXIWLER-YVEFUNNKSA-N 325.368 2.816 0 50 EFAA Cc1csc(N2CCN(C(=O)Nc3cn(C)nc3C(C)C)CC2)n1 280823634 UINAYMMLGNKAQN-UHFFFAOYSA-N 348.476 2.663 0 50 EFAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@@H](n2cncn2)C1 281166240 CUAAPEDTNUZJEF-DJIMGWMZSA-N 343.406 2.710 0 50 EFAA Cc1cc(C)c(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)o1 188181899 HZFSQLCAOODZBT-FQEVSTJZSA-N 342.439 2.605 0 50 EFAA CNC(=O)Cc1ccc(N[C@@H](C)c2nnnn2C2CCCCC2)cc1 682459339 APJWPKQMXHWWHT-ZDUSSCGKSA-N 342.447 2.640 0 50 EFAA COc1cc2c(N3CCC[C@H]3c3cnn(C)c3)ncnc2cc1F 302180553 QJXYMOCKXDQXRI-HNNXBMFYSA-N 327.363 2.853 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 189687834 BATHIYWYWNBIGE-WBVHZDCISA-N 346.406 2.988 0 50 EFAA COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1176684 COUSRFONLIGCFQ-WMZJFQQLSA-N 344.186 2.829 0 50 EFAA O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1F 408513762 WMISORDTEIYQPH-WFASDCNBSA-N 337.778 2.694 0 50 EFAA C[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1n1ccnc1 190373482 JREYIDBLGOSCKP-GUYCJALGSA-N 348.397 2.997 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1Oc1ccccc1)N1CC[C@@H](CCO)C1 221858980 FBLCAMLEZWUJEG-CGTJXYLNSA-N 332.444 2.791 0 50 EFAA CC1(C)Cc2cccc(S(=O)(=O)NCC[C@@H]3CCCCO3)c2O1 192648589 VMRKKHLSPCHXLD-AWEZNQCLSA-N 339.457 2.638 0 50 EFAA CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 192898859 RVOPWQAJIFVYAI-VHSXEESVSA-N 325.352 2.721 0 50 EFAA COc1ccc(S(=O)(=O)N2c3ccccc3N(C)CC[C@@H]2C)cn1 194803715 WVYRMTNJGZEOMX-ZDUSSCGKSA-N 347.440 2.514 0 50 EFAA Cc1ccc(CNC(=O)C2CCN(c3nc(C)cnc3C)CC2)cc1 195563890 WXVZFCVBPFLDLJ-UHFFFAOYSA-N 338.455 2.935 0 50 EFAA CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc3c(O)nccc23)C1 653958379 FBTDYJLKVJAOOW-CYBMUJFWSA-N 341.411 2.918 0 50 EFAA CC[C@@H](N[C@@H](CO)C1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 716132828 LBXXPTLAIUCBIX-CVEARBPZSA-N 326.481 2.773 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNCc2cc3ccccc3nc2O)cn1 666433561 MADMHGNLZPSJBO-KBXCAEBGSA-N 338.411 2.541 0 50 EFAA O=C(c1ccc(Oc2ccccc2)o1)N1CCNC(=O)C12CCCC2 1506421128 WXXXJBRNQZXFLG-UHFFFAOYSA-N 340.379 2.957 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2n[nH]c3ccccc23)n1 1506404474 DQDLPZAUPLKRIH-HNNXBMFYSA-N 339.399 2.976 0 50 EFAA Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2CCc2cccs2)n1 1506412393 BXTUFGWJKJTLKX-CQSZACIVSA-N 332.473 2.849 0 50 EFAA Cc1cc(C[C@H]2CN(C(=O)CCc3cccc(Cl)c3)C[C@@H]2O)on1 1616080095 XLODVRHWRBCDFX-YOEHRIQHSA-N 348.830 2.631 0 50 EFAA O=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2 5050926 PABQHBVLAKXDHA-UHFFFAOYSA-N 343.408 2.959 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 1772703114 VOSVMQWPHAHZHK-YLJYHZDGSA-N 331.456 2.839 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Cl 11613820 IQGWDPCSERYJKU-UHFFFAOYSA-N 329.780 2.966 0 50 EFAA CN(C)c1ncccc1CNC(=O)C1(N2CCCCC2)CCCCC1 11838381 UXXOTTBFTSNOLG-UHFFFAOYSA-N 344.503 2.953 0 50 EFAA CC(C)Cn1c(CNC(=O)C2CC2)nnc1SCc1ccncc1 12219110 QLTPTKAHIBXTMT-UHFFFAOYSA-N 345.472 2.648 0 50 EFAA COCCN(C(=O)CCc1nnc(Cc2cccc(C)c2)o1)C(C)C 12304275 HDFSJXFQKDNDKN-UHFFFAOYSA-N 345.443 2.785 0 50 EFAA O=C(CN1CCc2ccccc2C1)Nc1ccc(Br)cn1 13322831 FYDQOVAAMGUEKX-UHFFFAOYSA-N 346.228 2.841 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cccc2cccnc12 218838938 KVIYPJKYIZJQKR-LNLFQRSKSA-N 347.418 2.742 0 50 EFAA C[C@H](NC(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccccc1 4502398 ODBIQJCKQATFRY-LBPRGKRZSA-N 344.798 2.943 0 50 EFAA CC(C)(C(=O)N[C@@H](CCO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1 5496412 VGOHJZOCOGLPBZ-STQMWFEESA-N 326.481 2.769 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3csc4c3CCCC4)CCO2)o1 328609032 CAWBHALDVUBPEL-CYBMUJFWSA-N 333.413 2.532 0 50 EFAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2C(F)(F)F)C1 643756125 MCDRSJAEOAMWEI-INIZCTEOSA-N 344.377 2.511 0 50 EFAA Cc1csc([C@H]2CN([C@H]3CCc4ccccc4NC3=O)CCO2)n1 241586384 OVMVTDOGVOXHLL-JKSUJKDBSA-N 343.452 2.778 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccncc2Cl)c1 337513868 OBKHBTFDRNTYAH-BLLLJJGKSA-N 332.787 2.692 0 50 EFAA Cc1ccoc1CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 343562225 IVGDLNOLHIXPGQ-AWEZNQCLSA-N 332.787 2.911 0 50 EFAA COc1cccc2c1CC[C@H]2NC(=O)C1CCN(C(=O)C(C)C)CC1 153554479 MPBTUISPSIJIFY-QGZVFWFLSA-N 344.455 2.693 0 50 EFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1csc(-c2ccoc2)n1 263073838 ATCPAUUCLCQSDN-WDEREUQCSA-N 334.397 2.657 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccsc3)C1)CC2 1704326462 FHVHGKMWVRRQFC-GOSISDBHSA-N 342.468 2.724 0 50 EFAA CCN1CCC(NC(=O)c2cnn(C3CCC3)c2)(C(F)(F)F)CC1 905824510 DYLFJAXEAAGCNR-UHFFFAOYSA-N 344.381 2.755 0 50 EFAA C[C@H]1CN(C(=O)c2ccnc(-c3ccccn3)n2)CC2(CCCC2)O1 823722136 YMUPGUJWRQHRLR-AWEZNQCLSA-N 338.411 2.712 0 50 EFAA CCn1cc(C(=O)NCc2ccc(OC3CCCCC3)cc2)nn1 931359162 KRONCDVCAHQZJJ-UHFFFAOYSA-N 328.416 2.940 0 50 EFAA CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(-n2nccn2)nc1 933144497 BBBLOKMMIQDKSZ-UHFFFAOYSA-N 341.346 2.598 0 50 EFAA Cc1nccc(N2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)n1 935386438 IUODMLFLNAFWJF-UHFFFAOYSA-N 342.443 2.946 0 50 EFAA CC(C)Cn1cccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1=O 935795242 OAKDSLVOOJUPIP-QGZVFWFLSA-N 342.443 2.605 0 50 EFAA CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cn1 119434307 OAVHXTDCWMZIGY-UHFFFAOYSA-N 332.787 2.941 0 50 EFAA Oc1ccc(-c2nnc(N3CCOC4(CCOCC4)CC3)s2)cc1 893224103 XRUKNSMOLBFPDH-UHFFFAOYSA-N 347.440 2.687 0 50 EFAA COc1cc2c(cc1NC(=O)CCn1cnnn1)oc1ccccc12 4722171 LUOWDEKBFITHGX-UHFFFAOYSA-N 337.339 2.610 0 50 EFAA O=C(CC[C@H]1CCCOC1)N[C@@H](Cn1ccnc1)c1ccccc1 2325761458 MVBXDSRXFNYDGM-AEFFLSMTSA-N 327.428 2.947 0 50 EFAA O=C(Nc1ccnc(O[C@H]2CCOC2)c1)C1CC(OC(F)(F)F)C1 2325780502 MNENEUWWXKMTLZ-ZYXZCXLHSA-N 346.305 2.503 0 50 EFAA CC(C)(O)[C@@H]1CCN(C(=O)c2ccc3cc(C(=O)O)ccc3c2)C1 2325788413 DEGVTQNFNGJSJR-MRXNPFEDSA-N 327.380 2.771 0 50 EFAA Cc1ccc(O[C@H](C)C(=O)OCC[C@H](C)O)c(Br)c1 849699740 FABVHEVZLOLMMT-WDEREUQCSA-N 331.206 2.839 0 50 EFAA Cc1nc(O)c2nc(C(=O)NC[C@]3(C)CCCC3(F)F)ccc2n1 2325796463 RWZYQSAECWAWGQ-HNNXBMFYSA-N 336.342 2.594 0 50 EFAA CCc1cnc2[nH]cnc(NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)c1-2 893014800 ZJRCHIICXYBRFL-HNNXBMFYSA-N 349.438 2.933 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H](N2C(=O)CNc3ccccc32)C1 2325712061 NUUDWQJSSSHGLG-CYBMUJFWSA-N 331.416 2.845 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2ccc(-c3nnc[nH]3)cc2)n1 111093370 ZLFPXSBRMUUIFL-UHFFFAOYSA-N 326.360 2.549 0 50 EFAA O=C(c1cccnc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 69793 SUYMDQIIVHEGDV-SMDDNHRTSA-N 327.306 2.725 0 50 EFAA Cc1cc(OCC(N)=O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 186431 VNWDZUCIQXTSIT-UHFFFAOYSA-N 337.375 2.865 0 50 EFAA COc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 2882062 RMSFZXQMLPKPGZ-UHFFFAOYSA-N 331.349 2.602 0 50 EFAA biogenic CCO[C@H]1C[C@H]1NC(=O)COc1ccc(Br)cc1Cl 225524192 QICKVPZHCBWAHX-PWSUYJOCSA-N 348.624 2.775 0 50 EFAA CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1 9236604 WCBWGBLPDYSQPP-OAHLLOKOSA-N 330.428 2.839 0 50 EFAA O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1ccc(Cl)s1 55327649 ZLLMVMOQTYHFMD-INIZCTEOSA-N 342.892 2.645 0 50 EFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1 134573534 VBPUWNIUZZVUOZ-ZUZCIYMTSA-N 344.440 2.808 0 50 EFAA Cc1nn(CCC(=O)N(Cc2ccccc2)C[C@H](C)CO)c(C)c1C 55131645 GAJXFJVTAKGIBN-HNNXBMFYSA-N 343.471 2.856 0 50 EFAA COC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 247851300 RQZSFIVNIMGHEM-LBLXLQPISA-N 349.770 2.588 0 50 EFAA COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)cc1 55564281 ZTBYALNYLCHTED-INIZCTEOSA-N 339.439 2.844 0 50 EFAA COc1cc(C)ccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 54363362 DCQRXMADHGLCPT-UHFFFAOYSA-N 334.397 2.763 0 50 EFAA CCCCOc1c(CN2CCC[C@H]2C(=O)N(C)C)cccc1OC 63857393 GTALIXPAKQUZEU-INIZCTEOSA-N 334.460 2.927 0 50 EFAA CN(C)C(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCC2)nc1 301234092 KVBWZZXFERQNNE-HNNXBMFYSA-N 328.416 2.625 0 50 EFAA CCCn1c(C)nnc1CSc1nnc2n(C)c3ccccc3n12 119541748 PNYRAIQULINNDF-UHFFFAOYSA-N 341.444 2.823 0 50 EFAA Cc1nn(CC(=O)N(C)c2nc3ccccc3n2C)c(C)c1Cl 120231723 PEOQNSCHVUOZAC-UHFFFAOYSA-N 331.807 2.703 0 50 EFAA COC(=O)C1CCN(C(=O)NCC(C)(C)c2cccc(OC)c2)CC1 120209007 AAYRKARTZQHMSM-UHFFFAOYSA-N 348.443 2.567 0 50 EFAA COC1CCN(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1 252499970 SKHNSOKEEQIUFZ-UHFFFAOYSA-N 342.443 2.973 0 50 EFAA Cc1noc([C@H](NCc2csc(C3CC3)n2)C2CCOCC2)n1 328617190 CKSIQOBXXMLYSV-CQSZACIVSA-N 334.445 2.969 0 50 EFAA O=C(CCc1cn[nH]c1)N1CCO[C@H](Cc2cccc3ccccc23)C1 12028464 KFJDUKOPMWRBBP-LJQANCHMSA-N 349.434 2.966 0 50 EFAA CCC(=O)N1CCN(CC2=CCCN(Cc3ccc(F)cc3)C2)CC1 71278512 APUIFVHYGDKMEM-UHFFFAOYSA-N 345.462 2.512 0 50 EFAA CC(C)CC(=O)N[C@@H](C(=O)NOCc1cccnc1)c1ccccc1 153287431 PEHOIQBMFPPVPG-GOSISDBHSA-N 341.411 2.533 0 50 EFAA COc1cc(C)ccc1C(=O)N1CCC([C@@H](C)N2CCOCC2)CC1 72478590 QOLHYIRQYRVLHO-MRXNPFEDSA-N 346.471 2.577 0 50 EFAA C[C@H](NC[C@H]1Oc2ccccc2[C@H]1C)c1ccc(S(N)(=O)=O)cc1 368287735 GOCAZGWHASBZSQ-FHSNZYRGSA-N 346.452 2.549 0 50 EFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C(=O)O)C3)s2)o1 133064051 NTAPYKVQGYJNSB-NSHDSACASA-N 334.397 2.957 0 50 EFAA CN(Cc1cn(-c2ccccc2)nn1)Cc1cc(-c2ccncc2)no1 72163064 DWYUIANWYQKYNO-UHFFFAOYSA-N 346.394 2.949 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1cnn(-c3ccccc3)c1)CC2 245499255 XULIDEZEGGSRDT-RDJZCZTQSA-N 325.416 2.573 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](n3cncn3)C2)cc1F 156925905 ONPAYHYTESTRIW-ZFWWWQNUSA-N 331.395 2.833 0 50 EFAA N[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 157806235 FILSKJJQGRZUDH-UXONFWTHSA-N 327.197 2.551 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1c1ccccc1 374131826 OZCVUDHBNNRADV-LJQANCHMSA-N 335.407 2.945 0 50 EFAA O=C(O)C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 263067136 PJOACNMDOZFKEH-LBPRGKRZSA-N 348.296 2.935 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2CCC[C@H](N(C)C)CC2)c(C)o1 219453681 WTPNRZKFOYJDOG-INIZCTEOSA-N 335.492 2.986 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccoc1COc1ccc(C)cc1 219101628 WKHQDRVVICZCDA-IAGOWNOFSA-N 345.395 2.701 0 50 EFAA C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCc2ccccc2OC1 375712773 UUXROQWYPOEMSB-NVXWUHKLSA-N 345.464 2.832 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N(C)C(=O)Cc1ccon1 239539228 AVXPRKJMOVBEKZ-IGOJGBNBSA-N 341.455 2.832 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cnn1Cc1ccccc1 377241362 FJDMJGDVPIXYHV-QGZVFWFLSA-N 335.411 2.940 0 50 EFAA Cc1cc(CNC(=O)N2CCOC[C@H]2c2ccc(F)cc2)nc(C)n1 458761354 LQEZYGIWQRDECM-KRWDZBQOSA-N 344.390 2.516 0 50 EFAA CC(C)c1nnc(CNC(=O)c2cscc2Br)n1C 285752228 HXYDNCSDYKXMCL-UHFFFAOYSA-N 343.250 2.693 0 50 EFAA CCn1ccnc1[C@H](NC(=O)c1ccc(Cl)cn1)C1CCOCC1 286757509 HWZWQEDUEPCFAP-OAHLLOKOSA-N 348.834 2.849 0 50 EFAA Cc1cc2c(cc1C(=O)NCc1ccccc1-n1cccn1)OCCO2 222915837 AXMKBEYZZWXYOH-UHFFFAOYSA-N 349.390 2.882 0 50 EFAA CC(C)CCC[C@H](C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 17071744 GVMHGRCLPMCYJH-LBPRGKRZSA-N 343.518 2.835 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccnn1-c1ccc(Cl)cc1 289069645 BJKSPHQWTBKRGH-LBPRGKRZSA-N 332.791 2.523 0 50 EFAA CCCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 226888961 HFPCYJQKNNIDSX-YZLZLFLDSA-N 347.455 2.835 0 50 EFAA O=C(c1scc2c1OCCO2)N1CCC(Oc2cccnc2)CC1 223256404 UZQXXRNMETYFCX-UHFFFAOYSA-N 346.408 2.598 0 50 EFAA C[C@H](NC(=O)Cn1ncc2ccccc21)c1nncn1C1CCCC1 222643483 DWQRQHRUNGLHAT-ZDUSSCGKSA-N 338.415 2.620 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)[C@@H](c1ccc(F)cc1)N(C)C 95390116 CSSHWMJOFKJYQH-LJQANCHMSA-N 343.446 2.806 0 50 EFAA CCc1ccccc1-c1cccc(C(=O)NC[C@H](O)CN(C)C)c1 426382885 HKZZMQHZGVYXHF-SFHVURJKSA-N 326.440 2.568 0 50 EFAA Cc1cc(N2CCC[C@H](c3nccn3CCCN(C)C)C2)ccn1 95503948 GURJNUKISSDWTA-KRWDZBQOSA-N 327.476 2.922 0 50 EFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@H]1c1ccco1 96164229 JVSPUHOIFZZSTR-AWEZNQCLSA-N 349.412 2.604 0 50 EFAA COc1cccc(-c2cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)[nH]n2)c1 91893583 RKCNPVFXSGXLTM-QZTJIDSGSA-N 341.411 2.869 0 50 EFAA COCCC[C@@]1(CO)CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 91964822 SIUCVJJGTVOALK-FQEVSTJZSA-N 346.471 2.602 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(c2nc3c(s2)c(C)nn3C)C1 95523673 BGNJJAPRLPPQPE-QGZVFWFLSA-N 328.441 2.745 0 50 EFAA O=C(Cc1ccsc1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91593862 SVEFNPGXVFQXFR-IBGZPJMESA-N 346.496 2.932 0 50 EFAA Cc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1Cl 237842625 RPLDYEPTIMBZPO-UHFFFAOYSA-N 325.792 2.744 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2C1)c1cnc(-c2ccccn2)nc1O 92107958 ZMFNMBWBTJBYFF-OAHLLOKOSA-N 346.390 2.532 0 50 EFAA CNC(=O)CCc1ccccc1NC(=O)NC1Cc2ccccc2C1 97217725 SGCIFBXQAZKADO-UHFFFAOYSA-N 337.423 2.654 0 50 EFAA O=C(NC[C@H](CO)Cc1ccsc1)c1c[nH]nc1-c1ccccc1 96161711 PEPCBFBNXNPXLO-CQSZACIVSA-N 341.436 2.719 0 50 EFAA O=C(NCCNc1cccnc1)Nc1ccnn1C[C@@H]1CC=CCC1 96153853 PRANFUNLOZVFQB-OAHLLOKOSA-N 340.431 2.868 0 50 EFAA Cc1ccc(OC2CN(CCCOc3ccc(C(N)=O)cc3)C2)cc1 244719109 LXEVKHLYHBARMF-UHFFFAOYSA-N 340.423 2.626 0 50 EFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CC1(CO)CCCC1 240662472 PLKKIZARAVFKPO-QGZVFWFLSA-N 334.460 2.897 0 50 EFAA COCCN1C[C@H](Cc2cc(C)c3nc(N)sc3c2C)CC1=O 244652052 GYXIRVAMCZIXNF-GFCCVEGCSA-N 333.457 2.533 0 50 EFAA O=C(OC[C@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 244584427 CZCCSGOHGQOHTD-ZACQAIPSSA-N 329.396 2.930 0 50 EFAA CC[C@@]1(C(=O)O)CCCN(C(=O)CSc2cccc(OC)c2)C1 244866670 WAJVDGJAKHNTBP-QGZVFWFLSA-N 337.441 2.891 0 50 EFAA Cn1ccnc1[C@@H]1N(C(=O)NCc2noc3c2CCCC3)CC1(C)C 296644634 ADTWGOHGMZVVJJ-HNNXBMFYSA-N 343.431 2.580 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C1 298977632 LLEGEDVUKMZKPD-OAHLLOKOSA-N 342.395 2.604 0 50 EFAA COc1ncccc1NC(=O)CCCc1nc(O)c2ccccc2n1 252495805 PAVCBBOLJOPFII-UHFFFAOYSA-N 338.367 2.700 0 50 EFAA C[C@@H](NC(=O)Nc1ncn(C2CCCCC2)n1)C(C)(C)CN(C)C 184502760 FKSWLNRDIJNANI-CYBMUJFWSA-N 336.484 2.881 0 50 EFAA Cc1ncn(C)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 534652445 GCYRXAFIYJBAHE-INIZCTEOSA-N 346.862 2.949 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(F)c1 299777429 CCKNRNKABHJECR-RPVQJOFSSA-N 337.391 2.633 0 50 EFAA CN(C[C@@H]1CCCCN1C)C(=O)c1cc(Cc2ccc(F)cc2)no1 299771140 SYHYJVACBVNDQU-KRWDZBQOSA-N 345.418 2.961 0 50 EFAA Cc1nnc(CN2CCN(c3nsc4ccccc34)CC2)s1 299772751 AWMOXNDEZJSAQH-UHFFFAOYSA-N 331.470 2.778 0 50 EFAA Cc1nnc(SCCNC(=O)c2cc3ccccc3cn2)s1 825296808 WDEGUPRRXPPFSG-UHFFFAOYSA-N 330.438 2.917 0 50 EFAA O=C(CCC(=O)N1CCC[C@H](CCCO)C1)NC1CCCCCC1 584894848 DOIVZTYMGGFSPX-MRXNPFEDSA-N 338.492 2.617 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(Cc2cccnc2OC)C3)o1 685941556 ZDWGGNVAPNLEFP-KSSFIOAISA-N 328.416 2.589 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc2c(Br)cncc2c1 1875303568 DOIXNGPUBSLBSW-CYBMUJFWSA-N 349.184 2.687 0 50 EFAA C[C@H](NCCc1nnc2ccccn12)c1cc(Br)ccn1 1875285515 PKSCRPNFQXMHMP-NSHDSACASA-N 346.232 2.780 0 50 EFAA CN1C[C@H](C(=O)Nc2cccc3c(O)nccc23)[C@@H](C(F)(F)F)C1 1875283772 FKBWCOKAUMBZIJ-RYUDHWBXSA-N 339.317 2.619 0 50 EFAA CCOc1ccc(CNC(=O)c2c(C)ccc(C)c2C(=O)O)cn1 1875279192 BEWUTHWYZNQNRD-UHFFFAOYSA-N 328.368 2.725 0 50 EFAA CCOC[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2Cl)C1 1875277914 NECPAWKXWOWHRM-LLVKDONJSA-N 325.792 2.927 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C12CCC(CC1)C2 1875297831 FEUJOLBZKSPVFX-ZVLZOBCMSA-N 346.452 2.775 0 50 EFAA COCc1cc(C2CN(C(=O)[C@H]3COc4cc(C)c(C)cc43)C2)no1 886085698 KTPIDCSSZKOYKY-INIZCTEOSA-N 342.395 2.540 0 50 EFAA Cn1c(C(=O)O)ccc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 1775993701 HRPJFZVGKAMJNY-JKSUJKDBSA-N 346.358 2.513 0 50 EFAA CCc1c[nH]c2ncnc(N3CCN([C@@H](C)c4ccccn4)CC3)c12 1775994534 CIHYTNCLPLSZLP-AWEZNQCLSA-N 336.443 2.799 0 50 EFAA O=C(Nc1nc(C2CCOCC2)cs1)C12CC(CN1C1CC1)C2 1776005868 KOFQSJWKQNPMQX-UHFFFAOYSA-N 333.457 2.602 0 50 EFAA CCN1CCCC[C@@H]1CNC(=O)c1ccc(-c2cncnc2)cc1F 185994947 QVDZDFSISGEBCP-MRXNPFEDSA-N 342.418 2.887 0 50 EFAA COCCOc1ccc(NC(=O)[C@@H]2CSCCS2)cc1F 169962603 VXRILGPHCFMMEE-ZDUSSCGKSA-N 331.434 2.638 0 50 EFAA NC(=O)CSc1ccccc1NCc1nc(-c2cccs2)no1 170134755 ULVYZUIRSJTGNG-UHFFFAOYSA-N 346.437 2.988 0 50 EFAA O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1ccc2[nH]nnc2c1 171230450 WOAQMXXSSSCPIP-UHFFFAOYSA-N 345.366 2.873 0 50 EFAA CC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)SCCO1 281174851 JDBJCFFKHWIDKC-BXUZGUMPSA-N 341.379 2.594 0 50 EFAA CN(C)C(=O)N1CCC(c2nc(COc3cccc(F)c3)no2)CC1 188111063 PGHHQAXDFFUGAP-UHFFFAOYSA-N 348.378 2.649 0 50 EFAA NC(=O)c1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 304005957 SVAJNEADFVENMQ-LJQANCHMSA-N 342.414 2.870 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N[C@H](C)c2cc[nH]n2)c2c1CCC2 408515450 ZPMAMEWBVLEELE-CYBMUJFWSA-N 335.411 2.884 0 50 EFAA CC(=O)NCC(=O)NCC1(c2cccc(Cl)c2F)CCCC1 191207359 NPINQZBAUDNXHT-UHFFFAOYSA-N 326.799 2.543 0 50 EFAA CN(Cc1nc(C(F)(F)F)cs1)Cc1ncccc1C(=O)O 652432951 JDMDIZCFWAUINB-UHFFFAOYSA-N 331.319 2.887 0 50 EFAA c1cncc([C@@H](NC[C@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 195102937 HVURKGCOXYFEQW-DLBZAZTESA-N 342.443 2.950 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 663032314 OTXFLQANJZYXNM-GOSISDBHSA-N 344.367 2.919 0 50 EFAA COc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)ccc1Cl 665651703 VTNVRSMWVRMRQZ-BLLLJJGKSA-N 349.818 2.590 0 50 EFAA CCc1ccc([C@H]2COCCN2C(=O)c2ccnn2C(F)F)o1 668923403 ATZGXMZDRJAZDX-GFCCVEGCSA-N 325.315 2.647 0 50 EFAA COCC1(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)CC1 212629340 GBABDXBLLFPTGX-MOPGFXCFSA-N 339.435 2.943 0 50 EFAA COc1cccc([C@@H]2CCN(c3cc(N)nc(SC)n3)C2)c1OC 1529191672 BGZRPYBRMHTJCS-LLVKDONJSA-N 346.456 2.792 0 50 EFAA Cc1ccc2c(c1)cc(CN1C[C@@H](O)[C@H](Cc3ccncc3)C1)n2C 1529155329 RAPUTLCNXWMNKN-WIYYLYMNSA-N 335.451 2.917 0 50 EFAA Brc1ccccc1[C@H]1CN(Cc2csnn2)CCO1 120714972 COMAJKUOPGPFBF-CYBMUJFWSA-N 340.246 2.874 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 1772705257 MAGQQMYCAHIXSK-LRDDRELGSA-N 344.846 2.925 0 50 EFAA CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(F)cc1 5798536 OBXMGPHITOUZLM-UHFFFAOYSA-N 332.360 2.651 0 50 EFAA CCn1cc(C(=O)NCc2cccnc2-n2cnc3ccccc32)cn1 11665363 RODNJHRWIDLORD-UHFFFAOYSA-N 346.394 2.567 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 12242226 ADFVBBVNMFEDAW-LBPRGKRZSA-N 339.848 2.940 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1coc(COc2ccccc2F)n1 12589167 CKHLZUNRZDFRKH-CYBMUJFWSA-N 347.390 2.607 0 50 EFAA C[C@H](C(=O)Nc1cccnc1-c1ccc(Cl)s1)S(C)(=O)=O 187136727 FBDJOZCRBHGEJK-MRVPVSSYSA-N 344.845 2.835 0 50 EFAA COc1cccc(NC(=O)Cc2nc3nc(C)c(Cl)c(C)n3n2)c1 4999392 QUWUECNQBKOXAZ-UHFFFAOYSA-N 345.790 2.584 0 50 EFAA COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl 6697795 QGOQQEUNNMDEIK-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 1857669627 WODAZYFKWBBVEV-KBXCAEBGSA-N 334.416 2.645 0 50 EFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(OCCO)c3)c2n1 1857682614 KPWPEZMBYWCURJ-UHFFFAOYSA-N 349.394 2.570 0 50 EFAA O=C(c1cnc(O)c2ccccc12)N1CCc2[nH]nc(C3CC3)c2CC1 1857701224 HYRNDRBHBLJINA-UHFFFAOYSA-N 348.406 2.782 0 50 EFAA Cc1nc([C@H]2CC[C@H]3OCCN[C@@H]3C2)n(-c2cccc(C)c2C)n1 1857734145 LNBCYEFZKPCKMD-LZLYRXPVSA-N 326.444 2.817 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225683909 LRMLIQSRQAATHH-SJLPKXTDSA-N 329.371 2.929 0 50 EFAA Cn1c([C@H]2CCCN2Cc2cnc3ncccn23)nc2c1CCCC2 328655634 YORCEXOJMRRQBZ-QGZVFWFLSA-N 336.443 2.679 0 50 EFAA CC(C)Cn1ncc(C(=O)NCc2nc(C(C)(C)C)n[nH]2)c1C1CC1 458025751 KTTBJQQHSQLDRJ-UHFFFAOYSA-N 344.463 2.762 0 50 EFAA Cc1csc([C@H](C)CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 248625435 NYFIGYDYMHAOOB-VCTAVGKDSA-N 331.441 2.513 0 50 EFAA O=C(Nc1nc2ccc(Cl)cn2n1)c1cc2ccccc2c(=O)o1 253395567 MWRRARNFXPAISS-UHFFFAOYSA-N 340.726 2.741 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccn(CC(F)F)n1 679882286 RPLQVEHBSWTLJB-LLVKDONJSA-N 336.342 2.963 0 50 EFAA COCCC1(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCCC1 152612763 AYGRSCFBDWBBNV-LPHOPBHVSA-N 338.492 2.920 0 50 EFAA CCC(=O)N1CC[C@H](NC(=O)c2ccc(OC)c3ccccc23)C1 153356493 SZMAYJWASBAPES-ZDUSSCGKSA-N 326.396 2.589 0 50 EFAA CCOc1ccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 364554226 IVQXGCCOWYEQKW-UHFFFAOYSA-N 340.427 2.616 0 50 EFAA C[C@@H](c1ccsc1)N1CCN(C(=O)c2cccc(C(=O)O)c2)CC1 263405061 HLRJHXRWPXPHID-ZDUSSCGKSA-N 344.436 2.965 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)Cc1ccccc1N1CCOCC1 263570563 IIMADGVIAHHCRU-UHFFFAOYSA-N 340.423 2.853 0 50 EFAA CSC[C@@H](C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 847216411 PKXYSLWYVPFSHK-RKDXNWHRSA-N 344.399 2.557 0 50 EFAA CC[C@H](C(=O)O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 911492026 ZBZFTADIUBOQET-NSHDSACASA-N 343.221 2.560 0 50 EFAA COCCN1[C@H]2CC[C@H]1CC(NC[C@H]1OCCc3ccccc31)C2 925395263 UKWKSHOVLUITJY-CMKODMSKSA-N 330.472 2.532 0 50 EFAA CC(C)Oc1c[nH]ccc1=NC(=O)NC1CC2(COC(C)(C)C2)C1 934645408 QKQNRSNMFWTGRI-UHFFFAOYSA-N 333.432 2.760 0 50 EFAA OCCN(Cc1cccnc1)Cc1ccc(F)cc1Br 267920934 QXJXHVWGNMAPML-UHFFFAOYSA-N 339.208 2.978 0 50 EFAA CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 305185251 INOQRIFETYVTOL-GFCCVEGCSA-N 338.256 2.917 0 50 EFAA Cn1cc(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nn1 394100458 TXDYGRYRYZJCQC-UHFFFAOYSA-N 343.431 2.720 0 50 EFAA CCc1nc(O)ccc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 2100473698 VSYCRDIUQZBYMS-OAHLLOKOSA-N 341.411 2.566 0 50 EFAA COc1cc(CN2C[C@H](CC(=O)O)OCC2(C)C)ccc1Cl 2325788145 OKLJGWSJFSGDGU-LBPRGKRZSA-N 327.808 2.803 0 50 EFAA NCc1ccccc1C1CCN(C(=O)Cn2cc3ccccc3n2)CC1 2325789213 DVSXQMSIUKKBFS-UHFFFAOYSA-N 348.450 2.901 0 50 EFAA O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCc2nc(C3CC3)ncc2C1 2325791760 IUGPWKVJMHYRFP-ZVZYQTTQSA-N 341.455 2.533 0 50 EFAA Cc1ccc(O[C@@H](C)C(=O)OCC[C@H](C)O)c(Br)c1 849699739 FABVHEVZLOLMMT-QWRGUYRKSA-N 331.206 2.839 0 50 EFAA C[S@@](=O)(=NC(=O)c1cccc(C2CC(F)(F)C2)c1)[C@H]1CCNC1 2325799264 CBMZHUCZOVGDRD-PSLXWICFSA-N 342.411 2.799 0 50 EFAA C[C@@H](CNC(=O)c1cnn(C)c1-c1ccc(F)cc1F)c1ncc[nH]1 2325859325 VMENWVOZCUFONT-JTQLQIEISA-N 345.353 2.622 0 50 EFAA CCn1cc(C(=O)N[C@]2(C)CCOC2)c(=O)c2cc(Cl)ccc21 225583739 VVZSFIRANKMNMQ-QGZVFWFLSA-N 334.803 2.584 0 50 EFAA O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 245287295 BVKXZEAIOIMDJE-RBSFLKMASA-N 328.416 2.823 0 50 EFAA COC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C 70933 YAJFMITZIVLBSG-UHFFFAOYSA-N 340.788 2.909 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(Cl)cccc1Cl 311312 DYPNFYMENICQDX-NSHDSACASA-N 331.224 2.959 0 50 EFAA O=S(=O)(NCCSc1ccccn1)c1ccc(Cl)cc1 2503370 LILRTPXLIMSAQK-UHFFFAOYSA-N 328.846 2.806 0 50 EFAA Cc1ccc2[nH]cc(-c3cnc4c(N5CC[C@@H](O)C5)nccn34)c2c1 2356154107 IICHESSPUYLZQS-CYBMUJFWSA-N 333.395 2.757 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@H](CCc2ccccc2)C(=O)O)CC1 4241847 QFXHCEPJOKHODN-MRXNPFEDSA-N 348.443 2.625 0 50 EFAA C[C@H]1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 6769327 MFRVEGQORUJNNL-INIZCTEOSA-N 343.471 2.808 0 50 EFAA COC(=O)c1ccc(C(C)C)c(NC(=O)NCc2cc(C)nn2C)c1 225479703 NZGSXTHNZMASJO-UHFFFAOYSA-N 344.415 2.960 0 50 EFAA C[C@H](c1ccco1)N(C)C(=O)c1ccccc1N1CCC(=O)NC1=O 55393740 QKNTWQBEBSWHQQ-GFCCVEGCSA-N 341.367 2.559 0 50 EFAA Cc1cc(C)c2c(c1)NC(=O)[C@H]2Cc1nc(-c2ccc(C)nn2)no1 102130588 BMXUYHFRGUJWCB-LBPRGKRZSA-N 335.367 2.730 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCc2ccccc21 10112430 WKEREDYWFGDQLC-UHFFFAOYSA-N 330.409 2.569 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1NS(C)(=O)=O 10314727 KJYPBDOTUCYWDQ-CYBMUJFWSA-N 332.425 2.858 0 50 EFAA CN(Cc1ccccc1)Cc1cc(C(=O)NCCc2ccco2)no1 67649366 KUSUTEOVQCMPGG-UHFFFAOYSA-N 339.395 2.872 0 50 EFAA Cc1ccn2c(C(=O)NCc3noc(-c4ccco4)n3)c(C)nc2c1 67788855 ZDLJWYOZQRIZNB-UHFFFAOYSA-N 337.339 2.524 0 50 EFAA CN1CCCn2nc(C(=O)N3CC=C(c4ccccc4)CC3)cc2C1 65403273 BRBIJNHDVBASOG-UHFFFAOYSA-N 336.439 2.648 0 50 EFAA Cc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)c2ncccc2c1 350304268 ZITIEQCILDITIA-UHFFFAOYSA-N 346.364 2.944 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H](CO)c1ccccc1 65431476 GTQSVDDWOMVXMP-INIZCTEOSA-N 346.814 2.827 0 50 EFAA CCn1cc(C2CCN(C(=O)N[C@H](C)c3cnn(C)c3C)CC2)cn1 172550157 KWFMZMPTVAOJQL-CYBMUJFWSA-N 344.463 2.595 0 50 EFAA Cc1ccccc1[C@@H]1CN(CC(=O)Nc2ccncc2)[C@H](C)CO1 173573349 FCLGFZLACNEERR-QAPCUYQASA-N 325.412 2.791 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 356340035 MCANPCPABGMMFF-AWEZNQCLSA-N 333.354 2.527 0 50 EFAA COC(=O)Cc1ccccc1C(=O)N[C@H]1CCCc2c(O)cccc21 253408152 XNINNZUCBVZOGX-KRWDZBQOSA-N 339.391 2.915 0 50 EFAA CN(CCCOc1ccc(F)cc1)C(=O)c1nnc2ccccc2n1 253417685 DIOXWNBFABSSND-UHFFFAOYSA-N 340.358 2.705 0 50 EFAA CC[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)CCN1C(C)C 77355485 PQYUNHMSIHYKSH-MRXNPFEDSA-N 336.501 2.716 0 50 EFAA Fc1cccc(-c2n[nH]cc2CN2CCN(c3cccnc3)CC2)c1 77489246 MEGDTKOYRVFRMM-UHFFFAOYSA-N 337.402 2.933 0 50 EFAA O=C(O)CC1(NC(=O)[C@@H](O)c2ccccc2Cl)CCCCC1 219765580 DQQQSCMAXUVSCA-AWEZNQCLSA-N 325.792 2.667 0 50 EFAA CCn1c(COc2ccccc2F)nnc1N1CCC(OC)CC1 283398878 GYYJPDKYSXIGRS-UHFFFAOYSA-N 334.395 2.631 0 50 EFAA O=C(C[C@H]1CCCN1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 154152020 AZRVZPODDAKFJA-GOSISDBHSA-N 349.434 2.970 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 155502816 OLTGEACJHSARKX-PXAZEXFGSA-N 344.484 2.959 0 50 EFAA O=C(O)C[C@H]1COCCN1C(=O)C1c2ccccc2-c2ccccc21 72427055 LAZYDSSBSXWDGZ-ZDUSSCGKSA-N 337.375 2.501 0 50 EFAA CCC1(O)CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 333563489 HKWFAIVMJOAUFQ-UHFFFAOYSA-N 343.431 2.553 0 50 EFAA O=C([C@H]1NCCc2[nH]cnc21)N(Cc1c(F)cccc1Cl)C1CC1 72473451 WIHXFJSMRPAIMY-INIZCTEOSA-N 348.809 2.580 0 50 EFAA COc1ccc(-c2cnnc(N(C)CC[C@H]3CCCCO3)n2)cc1 14969023 SFIUVFNWBWARHS-MRXNPFEDSA-N 328.416 2.943 0 50 EFAA CSc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1 72442271 FBLVRKMPBHCAFU-UHFFFAOYSA-N 331.426 2.757 0 50 EFAA Cc1ccnn1CC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 77505412 ASHDXFKAYYACPE-OAHLLOKOSA-N 331.391 2.648 0 50 EFAA Cc1cccc(N2CCC(N3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)c1C 72454140 PHIRRUKSVXPPSB-HXUWFJFHSA-N 343.471 2.799 0 50 EFAA Cc1cnccc1CNC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 490274675 QNSPBGGIGWPDOP-LBPRGKRZSA-N 331.338 2.641 0 50 EFAA COc1cc(OC)cc(N2CC[C@@H](NC(=O)C3=CCCCC3)C2)c1 129162116 NRKDZTSHSNMENZ-OAHLLOKOSA-N 330.428 2.899 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@](C)(C(=O)O)C1 237729853 XTEKYDWKJLKIDJ-KRWDZBQOSA-N 347.802 2.771 0 50 EFAA CC(C)(C)C1=CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 371144991 KERPIKBSXKARGH-VXGBXAGGSA-N 332.366 2.648 0 50 EFAA CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cnc(S)n1-c1ccccc1 129720452 SWCMIDSVQXYOOZ-GFCCVEGCSA-N 347.440 2.573 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)Cc3nc(C)sc3C)CCO2)c1 130452608 FZAVXZFRAPYLIB-KRWDZBQOSA-N 346.452 2.911 0 50 EFAA c1ccc(CNc2ncc(CN3CCCn4cncc4C3)cn2)cc1 72152173 LYXIXFVPMPEPBV-UHFFFAOYSA-N 334.427 2.691 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1cncn1Cc1ccccc1 72135162 XXSQRTSRMZTKIY-HXUWFJFHSA-N 339.439 2.993 0 50 EFAA CC(=O)NC[C@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72469916 ITLNFOKCWKUDSX-LJQANCHMSA-N 332.488 2.738 0 50 EFAA CC(C)N(CCSCCCn1cnc2c(N)ncnc21)C(C)C 342264632 JVUABCUYJANOKR-UHFFFAOYSA-N 336.509 2.651 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 174639257 HNLVEDDIUBRAJK-SIKLNZKXSA-N 348.446 2.795 0 50 EFAA COCc1ccc(CN2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1 339201097 JCRWEBOGWLNQJL-HOTGVXAUSA-N 344.377 2.864 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 220314873 WXSKVQWMXSGZTL-MRXNPFEDSA-N 337.427 2.713 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)Nc2cc3n(n2)CCCC3)cc1F 287117657 MQWFIFPCEWJPNR-HSZRJFAPSA-N 336.392 2.740 0 50 EFAA O=C(CCc1nnc[nH]1)N1CCC(c2nc3ccccc3s2)CC1 176762010 GIHTVCPEIAGQJU-UHFFFAOYSA-N 341.440 2.753 0 50 EFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCc3ccco3)c2n1 426531749 OPZQRWJDGXDRNM-UHFFFAOYSA-N 338.289 2.622 0 50 EFAA O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cccc(CO)c2)c1 426649713 PUEHJBYVSORNTR-WGSAOQKQSA-N 325.408 2.879 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCCCC3)CC2)n1 426535983 XUJPMWCBWKLBQV-MRXNPFEDSA-N 330.476 2.744 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 222502323 RZUNVMBBQCVVNN-WISYIIOYSA-N 328.151 2.586 0 50 EFAA CC(=O)c1c(C)nn(CCc2ncnn2CCc2ccccc2)c1C 91769121 VWBMHZJCACKXEI-UHFFFAOYSA-N 337.427 2.779 0 50 EFAA CC(C)NC(=O)c1ccc(Cl)c(NC(=O)NCCc2cn[nH]c2)c1 97076398 YMVHVWQGUDGMKO-UHFFFAOYSA-N 349.822 2.566 0 50 EFAA CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)C1(N)CC1 426727311 BZRPLCWHXLLKJW-OAHLLOKOSA-N 349.862 2.565 0 50 EFAA CC(C)c1cc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)on1 91914797 WWPZGBKPQAPVEW-KRWDZBQOSA-N 329.400 2.779 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccsc2)C1 95386455 OXRVGBGDLCYOLO-AWEZNQCLSA-N 332.473 2.526 0 50 EFAA CN(Cc1cc2ccccc2s1)C(=O)CN1C(=O)OC(C)(C)C1=O 95499145 ZJLYEUWIALSSFI-UHFFFAOYSA-N 346.408 2.617 0 50 EFAA C[C@@H]1CNC(=O)CCN1C(=O)Cc1ccc2c(c1)c1ccccc1n2C 243932671 BXQGOMJHCNRTLL-CQSZACIVSA-N 349.434 2.611 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c2c1CCC2 295981615 ITKHVPHPZCMANM-KBXCAEBGSA-N 339.439 2.655 0 50 EFAA CC(C)Oc1ccc(NC(=O)CN2CCN3CCCC[C@@H]3C2)cc1 244899378 ZITAZMDSLIUSAO-QGZVFWFLSA-N 331.460 2.582 0 50 EFAA O=C(O)COc1ccc(Cl)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 252510099 ZBKGSCAUOPJTOE-GFCCVEGCSA-N 349.818 2.906 0 50 EFAA O=C(O)c1n[nH]c2c1CN(C(=O)c1ccc(-c3ccco3)cc1)CC2 252500034 SMFJGMVWWMCXHW-UHFFFAOYSA-N 337.335 2.566 0 50 EFAA CCOC(=O)/C=C/c1cc2n(n1)CCCN(C(=O)OC(C)(C)C)C2 261361129 QDFUVQONUXCZLM-BQYQJAHWSA-N 335.404 2.600 0 50 EFAA COc1ccccc1-n1cc([C@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)cn1 299797509 OCAPJEXUWLKEDG-DZKIICNBSA-N 343.427 2.609 0 50 EFAA CC[C@@H]1C=CCN1C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 299793076 ILLSGPKIBNPUQS-OAHLLOKOSA-N 333.453 2.689 0 50 EFAA Cc1nnc(CN(CCOc2ccccc2)C[C@@H]2CCCO2)s1 299802802 QBJPFMKTANIMIX-INIZCTEOSA-N 333.457 2.907 0 50 EFAA CC(C)C1=NO[C@H](C(=O)NCCOc2cccc3cccnc23)C1 299783265 ZPGBDGYVUHBGEW-INIZCTEOSA-N 327.384 2.531 0 50 EFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCn2nncc2C1 1875306319 ACQALTFOXATTFC-LLVKDONJSA-N 338.333 2.518 0 50 EFAA C[C@H](C(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C1CCC1 952994879 VWKCRTFQJUCWID-CMPLNLGQSA-N 344.381 2.797 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)nn1-c1ccccc1 1875291840 NFSZICZDNHPFKI-LSDHHAIUSA-N 341.411 2.944 0 50 EFAA O=C(O)[C@]1(O)CCc2cc(-c3c(F)ccc4c3OCO4)ccc2C1 1875272311 KTMZAPGWEBAGLW-SFHVURJKSA-N 330.311 2.526 0 50 EFAA COC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cncc(C(=O)O)c1C 1875277630 VOLAFWZIYZKMST-MRXNPFEDSA-N 346.358 2.687 0 50 EFAA COc1cc(C(=O)O)nc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 1875277917 NNXCRNSKNFWEPZ-UHFFFAOYSA-N 344.342 2.732 0 50 EFAA CCCc1cc(C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)no1 952968722 HWVPTPGKPKLRPM-UHFFFAOYSA-N 330.340 2.853 0 50 EFAA COCc1ccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1 886065605 MKYSMNBJOWWQDK-HOTGVXAUSA-N 344.377 2.864 0 50 EFAA Cc1cnc(CCC(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)[nH]1 1775998972 LWUPPELCZRCDEX-AWEZNQCLSA-N 330.407 2.527 0 50 EFAA Cc1cc(O)nc(N2CCC[C@@H](Nc3ncnc4ccsc34)C2)n1 1336710529 JRRNGSOBDFFCHC-LLVKDONJSA-N 342.428 2.576 0 50 EFAA COc1cc(NC(=O)CCCc2nccs2)ccc1NC(N)=O 1362263260 MCBMFWQPEIKYQY-UHFFFAOYSA-N 334.401 2.604 0 50 EFAA CCSCCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565513472 WCQMCKWGZYDKFB-WBVHZDCISA-N 346.496 2.893 0 50 EFAA O=C(CCc1ccccn1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186589886 IKGABAMGIHNTMI-LJQANCHMSA-N 338.455 2.580 0 50 EFAA Cc1nc(C)c(C(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)s1 275560081 IEHRVYQMCBHGTA-ZDUSSCGKSA-N 346.456 2.514 0 50 EFAA Cc1nc(C)c(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)s1 276355135 XFNUXBKNVLIMFA-UONOGXRCSA-N 349.504 2.852 0 50 EFAA CC[C@]1(C)Oc2ccc(NC(=O)NCC3=CCN(C)CC3)cc2O1 276730498 JCEKPZUKGWAMMP-GOSISDBHSA-N 331.416 2.967 0 50 EFAA O=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CCCC1 170595264 XWQBKXPLUHUPEF-UHFFFAOYSA-N 328.459 2.660 0 50 EFAA C[C@H]1C[C@@H](CCNC(=O)c2ncccc2Br)CCO1 281481554 GAOLSHLJAYGJKD-QWRGUYRKSA-N 327.222 2.779 0 50 EFAA Cc1csc(N2CCC(NC[C@@H](O)Cc3ccccc3)CC2)n1 305118645 IVQCVOZMFYQSEQ-KRWDZBQOSA-N 331.485 2.614 0 50 EFAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(C)n(C(C)C)c2C)C1(C)C 188765494 UJAZYNBNIPQMGY-APWZRJJASA-N 336.476 2.982 0 50 EFAA Cc1noc(C[C@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc2)n1 408514701 LTPJWDQBDLSUMY-WMZOPIPTSA-N 337.379 2.512 0 50 EFAA CCc1ccc2occ(C(=O)NC[C@@H](CO)Cc3ccncc3)c2c1 408517599 NHSPIAQRUOBMCY-INIZCTEOSA-N 338.407 2.971 0 50 EFAA CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1nc(C)sc1Br 410700485 KJNKSYMIDZMNCG-NKWVEPMBSA-N 349.250 2.532 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)c(O)c(Cl)c1 194897232 WUEAJTBTSXYNNZ-ZUZCIYMTSA-N 345.823 2.969 0 50 EFAA OC[C@H](N[C@H]1CCCn2ccnc21)c1ccccc1OC(F)(F)F 655764440 HWSSPWHBWNLRJR-STQMWFEESA-N 341.333 2.940 0 50 EFAA O=C(NCC[C@@H]1CCc2ccccc2N1)c1ncoc1-c1ccon1 662585351 WEENCLBQINXNDJ-ZDUSSCGKSA-N 338.367 2.876 0 50 EFAA CCc1noc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1C 1506411265 HTMNLNUCODOINN-HNNXBMFYSA-N 343.383 2.915 0 50 EFAA CN(Cc1cnc2ccccn12)c1cc(C(=O)N2CCCC2)ccn1 1529098799 KZGGOHZGANEQNO-UHFFFAOYSA-N 335.411 2.602 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccc4ncccc4c3)C[C@@H]12 1529161433 JEQULHVSZVPKNP-QUCCMNQESA-N 339.439 2.606 0 50 EFAA O=C(c1cccc(F)c1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 1070087 XUNPWKQPBBGGRF-INIZCTEOSA-N 331.368 2.783 0 50 EFAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nn3cnnc3)c2c1 1074032 KOXFFLZPQZYTTJ-UHFFFAOYSA-N 344.378 2.889 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)CC[C@@H]1O 1704337487 SVJXXRCWTTYXMI-DDTOSNHZSA-N 332.227 2.786 0 50 EFAA Cc1cccc(Cl)c1CN1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704311937 FXVJFGVZNQLYMY-DLBZAZTESA-N 339.863 2.515 0 50 EFAA COc1ccc(Cc2c3cc(O)c(=O)cc-3ccn2C)cc1OC 401249 WBMGWJGLUWZFEE-UHFFFAOYSA-N 325.364 2.804 0 50 EFAA O=C(Oc1cccnc1)c1ccccc1I 383049 NVRNIAQBSLCJID-UHFFFAOYSA-N 325.105 2.905 0 50 EFAA Cc1cccc(Cl)c1NC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615953584 LZPIXUZGWSSVCD-HOCLYGCPSA-N 349.862 2.975 0 50 EFAA O=C(c1ccc(OCCCCN2CCOCC2)cc1)C1CCOCC1 1772807017 HVVFMGUBUOJAHM-UHFFFAOYSA-N 347.455 2.787 0 50 EFAA FC(F)Oc1ccccc1CN[C@H]1CCCN(c2ncccn2)C1 11950732 GUSPELMEUQLGOI-AWEZNQCLSA-N 334.370 2.837 0 50 EFAA Cn1c2ccccc2c2cc(C(=O)N3CCc4nncn4CC3)ccc21 12038341 YIGYXKONEZLEIQ-UHFFFAOYSA-N 345.406 2.622 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)c3scc4c3CCCC4)C2)C1=O 12203550 KKMMAMLUJXMFGA-GOSISDBHSA-N 332.469 2.711 0 50 EFAA Cc1n[nH]c(SCc2nnnn2-c2ccc(Cl)c(Cl)c2)n1 16623816 AWQIKYHTSDPOJM-UHFFFAOYSA-N 342.215 2.688 0 50 EFAA CCn1nccc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1 169755523 DDEULNZVXIWNFO-UHFFFAOYSA-N 336.399 2.750 0 50 EFAA COc1ccc(-c2nccn2CCC(C)(C)O)cc1Cn1cccn1 1857667600 WBTLQPGHDMAEOR-UHFFFAOYSA-N 340.427 2.965 0 50 EFAA CCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 230014108 XIFPTYYNPGOLNC-SBJFKYEJSA-N 330.421 2.590 0 50 EFAA biogenic N=C(O)NC[C@@H]1CCCN(C(=O)[C@H]2CCSc3ccccc32)C1 329608352 NCQCKTHOUFDQKQ-JSGCOSHPSA-N 333.457 2.587 0 50 EFAA COCCc1cc(NC(=O)NCC(C)(C)c2ccccc2)n(C)n1 128017736 ZSZHJNDOAPJMCK-UHFFFAOYSA-N 330.432 2.708 0 50 EFAA COc1ccc(C(=O)NC[C@H](C)CN2CCCC2)c(OC(C)C)c1 240412893 FOQQOTBKLYYTIC-HNNXBMFYSA-N 334.460 2.944 0 50 EFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1nc3cccc(C)n3c1F)C2 248065739 FLOIXGJMFQHBRY-GJZGRUSLSA-N 344.434 2.728 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccccc3Cl)C2)n1 253417109 RFPFHASDVDPAOT-CQSZACIVSA-N 332.835 2.733 0 50 EFAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 253432535 LAFRFKHKGKJGNF-DFBGVHRSSA-N 326.799 2.506 0 50 EFAA CC(C)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)c(O)n1 825463314 MZCXAZIJSQLJHQ-CABZTGNLSA-N 332.322 2.702 0 50 EFAA Cn1cc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cn1 2100544945 CAIKTCQWVPTIOI-FQEVSTJZSA-N 338.455 2.577 0 50 EFAA CC(C)Cn1[nH]cc/c1=N\C(=O)NCc1cc(-c2ccccc2)n[nH]1 2325777197 LQDZYEGUOOELTA-HEHNFIMWSA-N 338.415 2.673 0 50 EFAA O=C(N=c1[nH][nH]c2c(Cl)cccc12)c1cc(F)cc2c1CCNC2 2325856261 HUDCOWVCFKELAP-UHFFFAOYSA-N 344.777 2.675 0 50 EFAA Cc1nc([C@H](C)N)sc1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 2325858512 QEJMMTQWTHCPNR-VIFPVBQESA-N 342.424 2.575 0 50 EFAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1F 119443274 KAOPZAGQVUERTH-VIFPVBQESA-N 336.750 2.942 0 50 EFAA O=C(NC(=S)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 142162 AAKXZYTWHMGZAU-UHFFFAOYSA-N 343.427 2.663 0 50 EFAA C[C@H](C(=O)Oc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 467539 UMBZKKFQNYSLGG-GFCCVEGCSA-N 346.342 2.825 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(O)ccc2F)C1=O 2356164111 FVDYEQLGBGOUCR-SFHVURJKSA-N 334.391 2.539 0 50 EFAA COc1ccc(CN(C)C2CCN(C)CC2)cc1Br 3684357 RDXYFCDWYSRNRC-UHFFFAOYSA-N 327.266 2.984 0 50 EFAA O=C1CCC(c2ccc(NC(=O)[C@@H]3CCCc4cccnc43)cc2)=NN1 225523797 SISKOVZXPITBMJ-MRXNPFEDSA-N 348.406 2.754 0 50 EFAA CCO[C@@H]1C[C@H]1NC(=O)COc1ccc(Br)cc1Cl 225524163 QICKVPZHCBWAHX-ZYHUDNBSSA-N 348.624 2.775 0 50 EFAA O=c1[nH]c(=O)n(Cc2ccccc2)c2nccc(-c3ccccc3)c12 9134481 KLPRTYLHLGHWML-UHFFFAOYSA-N 329.359 2.800 0 50 EFAA Cc1ccc(-c2nnc(CCC(=O)NCCc3cccnc3)o2)s1 23479119 UHNONVJPOCWTDJ-UHFFFAOYSA-N 342.424 2.793 0 50 EFAA NC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 248656585 WOIBWJOOJAYDQY-OFQRWUPVSA-N 346.789 2.925 0 50 EFAA CC(=O)Nc1cccc([C@@H](C)NC(=O)Cc2cccc(C(=O)O)c2)c1 347381514 WGLAFKTWZJHZHE-GFCCVEGCSA-N 340.379 2.763 0 50 EFAA Cc1ccn(C(=O)COC[C@H]2CCOC2)/c(=N/C2CCCCC2)c1 117589224 SKTKUGRDXCEANP-RJCBAWPRSA-N 332.444 2.723 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ccccn2)C1)c1cccc2cnccc12 67872686 ZKQLDJDHYGGWEI-MRXNPFEDSA-N 346.434 2.882 0 50 EFAA c1ccc(CNc2ncc(CN3CCC[C@@]4(CCNC4)C3)cn2)cc1 67697208 NMRUVRKARZRJRD-FQEVSTJZSA-N 337.471 2.664 0 50 EFAA CNc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)ccn1 65406140 YFXJZXHUTHBIDQ-CYBMUJFWSA-N 329.404 2.650 0 50 EFAA Cc1cnn([C@H](C)[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 229568990 YAEFETDNWUNSBR-PMUMKWKESA-N 344.434 2.890 0 50 EFAA O=C(c1ccn2nnnc2c1)N1CCCC[C@@H]1c1ccc(F)cc1 77340598 LYLGZFYFMFHQFZ-OAHLLOKOSA-N 325.347 2.631 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@]3(CCSC3)C2)cc1 490761298 VNMLUDUYVKCIGI-IBGZPJMESA-N 344.480 2.848 0 50 EFAA CCC[C@@H]1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 173777808 RGFBSDIZRKYUDY-HOTGVXAUSA-N 347.484 2.635 0 50 EFAA O=C(Nc1nc2ccccc2s1)C1(n2cnnn2)CCCCC1 36359281 FDCUKVFIZPVKLA-UHFFFAOYSA-N 328.401 2.581 0 50 EFAA CC(C)C(=O)N1CCC(C(=O)Nc2ccnn2-c2ccccc2)CC1 174187449 RWRUFRJZUJBNQJ-UHFFFAOYSA-N 340.427 2.705 0 50 EFAA COCC1(C)CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 332432879 ZMXPIBLXJKYABU-UHFFFAOYSA-N 329.404 2.548 0 50 EFAA O=C(CCOCc1ccccc1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375017612 HTYYDDPGPPVVPV-FQEVSTJZSA-N 343.398 2.853 0 50 EFAA CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)NCc2ccccc2)no1 72157007 PQVIBWPIDGPKKS-INIZCTEOSA-N 349.456 2.970 0 50 EFAA Cc1nc(C)n([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 375798099 WUANLHVOXNTVPH-INIZCTEOSA-N 328.416 2.503 0 50 EFAA C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 240934458 JCFWOHRJSHZESD-XJKCOSOUSA-N 339.439 2.776 0 50 EFAA CCNC(=O)c1ccc(NC(=O)c2ccc(C)nc2OCC)cc1 241630872 PMBRPPNMSWUVTC-UHFFFAOYSA-N 327.384 2.791 0 50 EFAA CCc1cnc(CCNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)s1 241923241 UEFBPDXWBFPWHQ-NUEKZKHPSA-N 349.500 2.895 0 50 EFAA CCCN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C[C@@H]1C(=O)O 72417744 GFQUKQLRHXVLQX-MRXNPFEDSA-N 348.418 2.617 0 50 EFAA O=C1NCCN1c1cc(NC(=O)N2CCC[C@H]2CF)ccc1Cl 455374320 XGWLUFGDHJQDJL-NSHDSACASA-N 340.786 2.835 0 50 EFAA C[C@H]1C[C@@H](CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C 496470007 AAFVQTOPNFNEFD-GJZGRUSLSA-N 336.480 2.888 0 50 EFAA O=C(c1cccc(O)c1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72144253 ZMMAMTXSMZGYQV-IBGZPJMESA-N 336.435 2.708 0 50 EFAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1 45251424 JTCKUZIOJDTCBK-CQSZACIVSA-N 329.421 2.518 0 50 EFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1COc2ccccc2C1 80925238 YGLIAMMCBZARGW-CYBMUJFWSA-N 339.370 2.612 0 50 EFAA C[C@H]1CN(Cc2cccc(C(=O)O)c2)CCN(CC(F)(F)F)C1 263427673 RCUBWENYJYWDCA-LBPRGKRZSA-N 330.350 2.701 0 50 EFAA Cc1ccc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 91680753 DSPPCLLSUBQQBK-LJQANCHMSA-N 330.472 2.641 0 50 EFAA COc1ccc(CN[C@H](C(C)C)C2(CO)CCC2)c(OC)c1OC 292812779 OXOHHIKTCTTYQJ-GOSISDBHSA-N 337.460 2.989 0 50 EFAA O=C(c1ccc[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95391032 BLBZZCBSRUNREQ-QXAKKESOSA-N 339.414 2.856 0 50 EFAA Cc1cnn(Cc2cc(C(=O)N[C@H]3[C@@H]4c5ccccc5CC[C@H]43)no2)c1 230170033 IYRRDAYRDPWXST-BHIYHBOVSA-N 348.406 2.686 0 50 EFAA CCCCCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91643946 HBZGZNPTOBPSEE-UONOGXRCSA-N 333.384 2.622 0 50 EFAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCC2)cc1 95508410 OLQRCSSVJRRHRB-HXUWFJFHSA-N 340.467 2.764 0 50 EFAA CC(=O)NC[C@@H]1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 96162527 SNCZINXRFOREHS-INIZCTEOSA-N 349.406 2.507 0 50 EFAA CN(Cc1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)CC1 93476537 SUFZXMLNXKILEX-UHFFFAOYSA-N 336.482 2.819 0 50 EFAA COc1cccc([C@@H]2CNC(=O)c3nc(-c4ccc(O)cc4)[nH]c3C2)c1 95377025 NIWZXWFQZUUJBI-AWEZNQCLSA-N 349.390 2.861 0 50 EFAA O=C(CN1CCCCCCC1)NCc1ccc2c(c1)OCCCO2 244673878 HXHDASLOXONVBO-UHFFFAOYSA-N 332.444 2.730 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1n[nH]c2ccccc12 244866465 VWQYHLPTWODEKB-JRPNMDOOSA-N 327.409 2.866 0 50 EFAA CNc1nc(CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 243885556 AADDRVUNRVQZFS-QGZVFWFLSA-N 329.425 2.795 0 50 EFAA COC(=O)C[C@@H](c1ccncc1)c1oc2ccccc2c(=O)c1O 253411408 OOLNFDNEFALSHW-ZDUSSCGKSA-N 325.320 2.589 0 50 EFAA biogenic C1COC([C@@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]5[C@@H]5[C@H]9C[C@H]([C@H]54)[C@@H]2[C@@H]2C[C@H]([C@@H]98)[C@H]7[C@@H]2[C@H]63)O1 257359411 ZZFVTYMUVPUEQZ-WRKIPHROSA-N 334.459 2.737 0 50 EFAA c1cncc(-c2ccnc3nc([C@H]4COc5ccccc5O4)nn23)c1 253412320 QPRJYAKTSLJGDX-MRXNPFEDSA-N 331.335 2.699 0 50 EFAA CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ccc(C(=O)O)cc1 299747964 FPFPZMNIAMDWDH-UHFFFAOYSA-N 341.363 2.705 0 50 EFAA CSCC[C@H](C(=O)NCc1nc(-c2ccco2)no1)n1cccc1 263588040 OGDBHWUCLKWEAQ-GFCCVEGCSA-N 346.412 2.742 0 50 EFAA CC(C)Cc1cc(CNC(=O)Nc2ccc3c(c2)CC(=O)N3)on1 299760431 HMQBADHEEHQPLM-UHFFFAOYSA-N 328.372 2.689 0 50 EFAA CN(Cc1nc2ccccc2s1)C(=O)c1nnc2n1CCCCC2 828219114 CFPFPCUBMCYBPL-UHFFFAOYSA-N 341.440 2.886 0 50 EFAA NC[C@@H]1CCCC12CCN(C(=O)[C@H](O)c1ccc(C3CC3)cc1)CC2 1875277968 QXWBTXLPXQAIRD-RBUKOAKNSA-N 342.483 2.965 0 50 EFAA COC(=O)CCc1csc(NC(=O)[C@@H]2CCC[C@@H]2SC)n1 1875262153 WQAZGZWOHVIMBV-MNOVXSKESA-N 328.459 2.719 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3ccc(F)c4ccoc34)C2)nn1 1875283573 WMUDEHPSJSITSS-LBPRGKRZSA-N 344.346 2.699 0 50 EFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1cncc(C(=O)O)c1C 1875277985 RRXHLIFCMUMVLX-LBPRGKRZSA-N 342.395 2.800 0 50 EFAA O=C(c1ccc2cnccc2c1)N1CCC[C@@H](NC2CCOCC2)C1 1875269981 JUSUACYFTSQMLV-LJQANCHMSA-N 339.439 2.608 0 50 EFAA CC(C)Cc1ccc(C(=O)NS(=O)(=O)Cc2cccnc2)s1 1875283933 IIVDYLABZBRUAJ-UHFFFAOYSA-N 338.454 2.601 0 50 EFAA N[C@@H](C(=O)NCc1ccc2c(c1)CNC2)c1cccc(C(F)(F)F)c1 876826451 VBTBPZMGFVWPOM-MRXNPFEDSA-N 349.356 2.625 0 50 EFAA O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1snc2ccccc12 1875309401 OHHPZHBYKGBJLM-CYBMUJFWSA-N 330.384 2.769 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 1875360720 HSPQIDPOSURGQZ-LFPIHBKWSA-N 345.420 2.696 0 50 EFAA O=C(NC1CC(Nc2cc(F)ncn2)C1)[C@@]12CCCC[C@H]1C2(F)F 1875406453 DSUNBWSAGSTGHJ-YURZUXJASA-N 340.349 2.500 0 50 EFAA O=C(N=c1cc[nH]cc1-c1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 952994057 OVKACGHHMVUICB-KRWDZBQOSA-N 349.434 2.758 0 50 EFAA Cc1ccc([C@@H](O)CN2CCc3nnn(C4CC(C)C4)c3C2)cc1 879329969 PVINCBVHNIZDBW-KJXMEXGPSA-N 326.444 2.649 0 50 EFAA CC(=O)N1C[C@H](NCc2ccc3c[nH]nc3c2)CC[C@H]1C(F)(F)F 886036082 ZMVYHXCWLWBTSS-HIFRSBDPSA-N 340.349 2.594 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc1 886077514 CIJAMJFNYLXEJJ-LRDDRELGSA-N 328.416 2.506 0 50 EFAA C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)c1cnn(C)c1 165407707 QFSFWSWHIBHXSU-JTQLQIEISA-N 328.376 2.510 0 50 EFAA COc1ccc(CCC(=O)NC2(C(F)(F)F)CCN(C)CC2)cc1 170087565 XNZWDEDELFALHR-UHFFFAOYSA-N 344.377 2.771 0 50 EFAA Cc1cccc([C@H](C)CNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 170602072 DUTKUMXFUSKRNS-FHLIZLRMSA-N 342.443 2.661 0 50 EFAA Cc1noc(OCC2CCN(C(=O)OCc3ccccc3)CC2)n1 170601463 LUCZBPCWDSPTMH-UHFFFAOYSA-N 331.372 2.806 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-n2ccnc2)c1 171006682 UGCJJIJEBQLXMT-CRAIPNDOSA-N 348.406 2.870 0 50 EFAA CCc1cc(C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)n(C)n1 635884205 FPZFVPHTHKCTPB-UHFFFAOYSA-N 329.404 2.637 0 50 EFAA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cncc(C)c2)c1 188620282 OVUYHQTWHNPYSV-DOTOQJQBSA-N 326.396 2.827 0 50 EFAA CC[C@](C)(O)CN(Cc1ccccc1)c1nc(C)nc2c1cnn2C 190395568 ZQCVJKANVBCWCS-IBGZPJMESA-N 339.443 2.839 0 50 EFAA C[C@@H]1C[C@@H](NCc2noc(-c3cccc(Br)c3)n2)CO1 648029754 UPDZUAGDZVQBQL-BXKDBHETSA-N 338.205 2.766 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN1C(=O)CC1C2CC3CC(C2)CC1C3 649578959 IHPXQVAOSFANJM-NEPSPCKVSA-N 330.472 2.718 0 50 EFAA COc1ccccc1/C=C/CN1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 668649284 TXRSZBXLDKBNHV-SJTUHTAASA-N 329.400 2.862 0 50 EFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3nncn3c1)[C@@H]2C 679768614 DJKKTQUUCUPOOJ-QWHCGFSZSA-N 336.395 2.886 0 50 EFAA c1ccc([C@H](CCn2cncn2)NC2CSCCSC2)cc1 1506410301 KBMYKMABQWPSNY-INIZCTEOSA-N 334.514 2.848 0 50 EFAA CNC[C@@H]1CCCN(C(=O)NCc2ccsc2Br)C1 418151932 GGGFILFYQIJSGW-JTQLQIEISA-N 346.294 2.652 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(F)ccc1Cl 1704335764 RFZWKLDETQZSBL-UHFFFAOYSA-N 338.814 2.715 0 50 EFAA Cn1cncc1CN(CCO)C(=O)[C@H](c1ccccc1)C1CCCC1 1704325816 SHOKTGWGDCSCTF-LJQANCHMSA-N 341.455 2.715 0 50 EFAA O=C(c1ccsc1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616070873 GVTMKNJZMCGTRC-IRXDYDNUSA-N 328.437 2.646 0 50 EFAA CCCc1nnc(NC(=O)c2ccc(Br)cn2)s1 263914883 XCEBVZQZHNKWNL-UHFFFAOYSA-N 327.207 2.900 0 50 EFAA CN(C)c1nc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ncc1F 1772712803 ZFIABUVSXVCNLU-LLVKDONJSA-N 349.797 2.553 0 50 EFAA O=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3ccccc3)cc21 169754466 LUSXYCBPOFCTTL-SFHVURJKSA-N 336.370 2.721 0 50 EFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 4694637 HDABPSFUBQWYRG-MDWZMJQESA-N 335.381 2.603 0 50 EFAA CC[C@@]1(C(=O)NCc2ccc(-n3ccnc3C)cc2)C[C@@H]2CC[C@H]1N2 1857668125 GTXGALDLEFVYGW-ILZDJORESA-N 338.455 2.718 0 50 EFAA Cc1cc(C)n([C@H]2CCN(c3cc(C(N)=O)c4ccccc4n3)C2)n1 1857678663 JPIMAMMRXQGYOL-AWEZNQCLSA-N 335.411 2.598 0 50 EFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3C[C@@H]3CCCO3)cc2c1 1857691480 MXSHNVUCBFHPMV-HNNXBMFYSA-N 339.395 2.969 0 50 EFAA Cn1nccc1CN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857700324 SWJBSWRXMUDHEF-RTBURBONSA-N 341.455 2.667 0 50 EFAA CCc1nc(N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)ncc1C 1857722554 LASDDLKPGFOXAL-ZIFCJYIRSA-N 338.455 2.974 0 50 EFAA CN(C)c1ccc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)cn1 1857739102 CVBROBWXYKPPER-MRXNPFEDSA-N 342.443 2.912 0 50 EFAA O=C1C[C@@H](c2ccc(-c3ccc4nc(O)cc(C(=O)O)c4c3)cc2)CN1 1875244195 CSIVXPMDGHPEHL-CQSZACIVSA-N 348.358 2.909 0 50 EFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc12 408053061 SPDMHGAPKKPPKZ-MORSLUCNSA-N 346.402 2.617 0 50 EFAA C[C@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@@H]1COc2ccccc21 237615259 CEDHGSFTFWAHNS-GUYCJALGSA-N 339.391 2.998 0 50 EFAA CCn1cc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)nn1 661720004 XDXZBJWNMXEXDI-HNNXBMFYSA-N 333.823 2.998 0 50 EFAA COc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632494 MTUCDCMXIZTMIN-KBPBESRZSA-N 337.372 2.537 0 50 EFAA in-vitro Cc1cccc(NC2CCN(CC(=O)Nc3nccs3)CC2)c1 153016663 PFGXCIGRDMSYSI-UHFFFAOYSA-N 330.457 2.967 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCC[C@@H](c3nccn3C)C2)c1 365647912 GLQRWIDWVSTWNX-QGZVFWFLSA-N 326.444 2.502 0 50 EFAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1csc2ccc(Cl)cc12 261622078 CHCHOWBKASGOBQ-SSDOTTSWSA-N 333.818 2.648 0 50 EFAA Cc1ccnc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1 158878727 RGQXZTKPFABTRP-UHFFFAOYSA-N 331.366 2.560 0 50 EFAA CS(=O)(=O)C1(c2ccc(-c3noc(Cc4ccco4)n3)cc2)CC1 904218434 JIOGTLOUCYJNSH-UHFFFAOYSA-N 344.392 2.954 0 50 EFAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C(=O)O)C1 905268500 IXVBOVPYTRPLGA-JSGCOSHPSA-N 346.427 2.916 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c(N(C)C)n1 930504578 JSWVGDZZQJGFRA-CQSZACIVSA-N 342.447 2.601 0 50 EFAA O=C(c1cc(-n2cccc2)ccc1Cl)N1CCC[C@H]1c1nn[nH]n1 930775242 FRZKNHKZIPNURL-AWEZNQCLSA-N 342.790 2.621 0 50 EFAA Cc1noc(C2CCN(C(=O)Nc3noc4c3CCCC4)CC2)n1 934362357 OJVMMXZVXJSNFV-UHFFFAOYSA-N 331.376 2.656 0 50 EFAA CCOC(=O)[C@]1(CC)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 34338 MAXUMEIVVUHYLR-DIFFPNOSSA-N 348.424 2.930 0 50 EFAA CC(C)[C@@H](Sc1ccccc1)C(=O)NC1CC(n2cnnc2)C1 2325774520 SZVSOGPCCHSBKL-ZBCRRDGASA-N 330.457 2.915 0 50 EFAA Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)cc1 2325779317 XXNKEQQNYRUYNQ-JKSUJKDBSA-N 340.379 2.931 0 50 EFAA CNC(=O)Cc1cccc(NC(=O)CCN2[C@H](C)CCC[C@H]2C)c1 2325804656 BZLVTQZWZGFBSM-HUUCEWRRSA-N 331.460 2.567 0 50 EFAA CCC1=NO[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)C1 2325812778 GFEDPYDLDBPJRB-QGZVFWFLSA-N 344.411 2.721 0 50 EFAA CC(C)Cc1oncc1C(=O)N1CCC[C@@H](c2ocnc2C(=O)O)C1 2325821360 IULAUWDJWUWXJC-LLVKDONJSA-N 347.371 2.579 0 50 EFAA O=C(C[C@@H]1COCCN1Cc1ccc(CO)cc1)c1cccs1 119556322 PEFXAKLEBSIEHN-MRXNPFEDSA-N 331.437 2.714 0 50 EFAA O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 57478 HGMITUYOCPPQLE-IBGZPJMESA-N 337.419 2.560 0 50 EFAA in-vitro CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 270138 SYMKCRJUUOQGHO-UHFFFAOYSA-N 332.425 2.785 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 343341773 PNEZOVXJZIHDBE-BEFAXECRSA-N 331.435 2.992 0 50 EFAA COc1ccc(CNCCc2ccc3c(c2)OCO3)c(OC)c1OC 2470880 DYTYXLRBZVKVEB-UHFFFAOYSA-N 345.395 2.773 0 50 EFAA biogenic COc1cc(C=O)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 4868840 HYNIBWHSUVRBPH-UHFFFAOYSA-N 343.423 2.972 0 50 EFAA CC(C)C(=O)Nc1cc(C(=O)NC2CCC(F)(F)CC2)ccn1 344292508 UCLPPFTYJMYHNV-UHFFFAOYSA-N 325.359 2.984 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 8412464 OUXYCWKAVWSYKK-JKIFEVAISA-N 330.428 2.695 0 50 EFAA CCCN1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 34858703 GRLHDMKVZHPUCI-UHFFFAOYSA-N 338.517 2.945 0 50 EFAA COc1ccc(CN[C@H]2CCN(c3ccccc3F)C2=O)cc1F 112366613 MZULAMYPVCOSIC-HNNXBMFYSA-N 332.350 2.869 0 50 EFAA COc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1OC 8829309 OPKZMXBIGLNFID-UHFFFAOYSA-N 344.396 2.706 0 50 EFAA C[C@@H](CCc1ccco1)NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 50063247 PQMROONIMDVPHO-LBPRGKRZSA-N 342.399 2.613 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCc2c(Cl)cccc21 134943755 SBOIRLHOQCVJNZ-HWWQOWPSSA-N 338.835 2.509 0 50 EFAA CN1CC[C@@H](Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1=O 116388483 DASSFKDFWCNXEW-MRXNPFEDSA-N 340.379 2.637 0 50 EFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 55183394 OUOHBAMAFRTSDK-HNNXBMFYSA-N 325.412 2.903 0 50 EFAA CN(CCCn1cccn1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 55119238 UZQPCRKGKKIDCC-UHFFFAOYSA-N 340.427 2.784 0 50 EFAA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc3nonc3c2)nc1 55358627 DNVJWRVOZSYQRU-HNNXBMFYSA-N 346.394 2.971 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccccc2F)n1 67601875 CWFQDIOWLDXIOH-UHFFFAOYSA-N 332.383 2.590 0 50 EFAA Cc1n[nH]c([C@@H](C)NC(=O)CSC23CC4CC(CC(C4)C2)C3)n1 20472486 IMIXCPGGYCWSIM-BTLRFMJDSA-N 334.489 2.992 0 50 EFAA O=C(C[C@H]1CNCCO1)N1CCc2cc(-c3cccc(F)c3)ccc21 430436688 IJVQMEDPYLKUNL-SFHVURJKSA-N 340.398 2.760 0 50 EFAA Cc1ncsc1CN(Cc1cn2ccccc2n1)C[C@@H]1CCNC1 328637724 OTBRVJNZIGMWAS-OAHLLOKOSA-N 341.484 2.711 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)N[C@@H]1C[C@@H](C)n3ccnc31)CC2 333156547 GNKJCACQFLRKBO-CXAGYDPISA-N 340.427 2.708 0 50 EFAA O=C(C1CCCC1)N1CC[C@@H](n2c(S)nc3ccccc3c2=O)C1 122974836 HYVSQAZKPXUQLH-CYBMUJFWSA-N 343.452 2.649 0 50 EFAA CCc1ncc(CN2CC[C@H](CNC(=O)C3CCCCC3)C2)cn1 67588281 JSGUAIJPUYONGI-OAHLLOKOSA-N 330.476 2.557 0 50 EFAA COc1ccc(NC(=O)CCN2CCCN(C3CCCC3)CC2)cc1 172585069 VWMMKDUZCFFXRP-UHFFFAOYSA-N 345.487 2.974 0 50 EFAA COc1ccnc(N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)n1 253427736 CENNISXVPAOPCK-HNNXBMFYSA-N 330.363 2.530 0 50 EFAA COCCN1CCC[C@H]1CNC1CCC(O)(c2ccccc2)CC1 365051056 XYLXZYTZTXLIST-GPJFCIFZSA-N 332.488 2.517 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 366591306 KKVUUSFVRJPLAZ-WMZOPIPTSA-N 334.391 2.755 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=N)O)ccc21 333459146 UCVOTHLMJPTLMD-YWPYICTPSA-N 341.411 2.692 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 237654234 BZKRRUYMEJBNQY-HXUWFJFHSA-N 337.375 2.854 0 50 EFAA O=C1CC[C@]2(CCCO2)CCN1Cc1nc(-c2ccccc2)no1 72127142 YGGIEFRJFDWSCT-GOSISDBHSA-N 327.384 2.798 0 50 EFAA O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(CCO)CC1 370081521 GSKMWFHEHVHTBE-IBGZPJMESA-N 330.472 2.776 0 50 EFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(-c2ccccc2)on1 286213322 QOWNKKPNOBQTHK-FGTMMUONSA-N 328.412 2.703 0 50 EFAA O=C(C[C@H]1COCCN1)NCCC(c1ccccc1)c1ccccc1 72161570 BKEHJVUSNUSSIT-IBGZPJMESA-N 338.451 2.703 0 50 EFAA Cc1ccc2cc(C[C@@H]3CC[C@H](CN4CCN(C)CC4)O3)ccc2n1 72439489 WXVGWHDHQFBGRH-VQTJNVASSA-N 339.483 2.881 0 50 EFAA O=C(c1n[nH]c2c1CCCCC2)N1CC[C@H](O)c2ccccc2C1 375466906 GXTZXJJGPVOQSR-KRWDZBQOSA-N 325.412 2.758 0 50 EFAA O=C(C1CCC(c2ccccc2)CC1)N1CC[C@@H](N2CCOCC2)C1 173921208 UJXBIVYCNARVFS-SOAGJPPSSA-N 342.483 2.894 0 50 EFAA Cc1c(-c2nn3c(C4CC4)nnc3s2)nnn1Cc1ccccc1 71771065 CWHGJIIIUWPTJP-UHFFFAOYSA-N 337.412 2.678 0 50 EFAA COc1cccnc1CNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 456901211 IHMMKOPOJJWZET-CQSZACIVSA-N 340.427 2.652 0 50 EFAA Cc1cn(CCNc2cc(-c3ccccc3F)nc3ccnn23)nn1 72453933 RGRFADMFPFUXFC-UHFFFAOYSA-N 337.362 2.547 0 50 EFAA CCC(C)(C)OCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 457405591 BRNFPLPMXBDTGV-AWEZNQCLSA-N 330.432 2.641 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@@H](CCCC(C)C)C1 71661874 XRCVMIGCCVKXGF-INIZCTEOSA-N 334.460 2.669 0 50 EFAA 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CC(=O)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 111659 ZOEMIIMJFCBYJA-UHFFFAOYSA-N 340.452 2.803 0 50 EFAA CC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@@]1(C)O 4771145 CIQZHCROWAPQQC-HNNXBMFYSA-N 326.780 2.608 0 50 EFAA O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC(c2cc3ccccc3[nH]2)CC1 2325740702 RCZQTMHKLKCFGM-OYLFLEFRSA-N 345.468 2.578 0 50 EFAA Fc1ccc(F)c2c1O[C@H]1CN(c3nsc(C4CC4)n3)C[C@H]1O2 2325802636 RGZCMYHNFXYLRX-PHIMTYICSA-N 337.351 2.722 0 50 EFAA COC(=O)c1cc(C(=O)CSc2nc(C)cc(C)n2)ccc1O 67935 OPXMZNSFIUHMNP-UHFFFAOYSA-N 332.381 2.561 0 50 EFAA CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 195498 WVFFKGQXCSJRLU-UHFFFAOYSA-N 328.755 2.947 0 50 EFAA C[C@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 608774 DNBZTQIXMIWZJN-GFCCVEGCSA-N 345.358 2.858 0 50 EFAA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(O)c(OC)c1)NCC2 2496409 BTSIXDFLURPMCN-GOSISDBHSA-N 345.395 2.662 0 50 EFAA COc1cc(C(=O)NCCOc2cccc(C)c2)cc(OC)c1OC 2862951 GHFJNDMQQQMVKY-UHFFFAOYSA-N 345.395 2.830 0 50 EFAA NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 4550309 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CCN(C)CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67655016 FMRHLEQLASFNAH-CQSZACIVSA-N 331.243 2.845 0 50 EFAA COC(=O)c1ccc([C@@H](C)N2CCC[C@@H](Cc3nccn3C)C2)o1 230212654 FZTPRAWANMHAEE-KGLIPLIRSA-N 331.416 2.815 0 50 EFAA C[C@@H](CN[C@H]1CCCOc2cc3c(cc21)CCC3)N1CCN(C)CC1 122273484 OYXJLWIGWQCXID-JXFKEZNVSA-N 343.515 2.615 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc12 126387929 HPPPDSANNSGXLM-ZDUSSCGKSA-N 349.394 2.796 0 50 EFAA c1ccc([C@H]2OCC[C@@H]2CNCc2cn(Cc3cccnc3)nn2)cc1 328635947 VELNEIKFYJJBLO-UYAOXDASSA-N 349.438 2.589 0 50 EFAA CCc1ccccc1-n1ccc2c(cnc3nc(SC)nn32)c1=O 30875308 MCPJZAKSGGRTBS-UHFFFAOYSA-N 337.408 2.713 0 50 EFAA Fc1cccc([C@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72128874 OOJNUOXCDBNCEB-ZTFGCOKTSA-N 342.393 2.821 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(-c3cc[nH]n3)o2)n1 363680906 ZDWXHVZHPPUNTN-AWEZNQCLSA-N 326.404 2.543 0 50 EFAA C[C@H]1CN(c2ccc3nnc(-c4ccsc4)n3n2)C[C@H](C2CC2)O1 366504889 MICYDYGSZKAZQH-SMDDNHRTSA-N 341.440 2.857 0 50 EFAA CCCCN1C[C@@]2(CCCN(C(=O)c3ccn(CC)n3)C2)CCC1=O 77344042 STCURXDNHUMJEO-LJQANCHMSA-N 346.475 2.548 0 50 EFAA CCc1nnsc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72422195 KLADALRXYOJULI-LLVKDONJSA-N 341.440 2.997 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cnc(C(F)(F)F)nc1 156043024 VLEMJRDQGQTLOK-GFCCVEGCSA-N 336.317 2.504 0 50 EFAA O=C(Cc1cccc(Cl)c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 159161796 XGMOIBIALQFGSF-HOTGVXAUSA-N 349.814 2.827 0 50 EFAA CCN(C)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71575966 REULTHGJKKAWDG-IBGZPJMESA-N 349.494 2.836 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)C1CCNCC1 237114999 QDKCMLYOSAVPQU-UHFFFAOYSA-N 332.835 2.658 0 50 EFAA CCc1ccc(O)c(C(=O)N2CCC(CN3CCCCC3=O)CC2)c1 173648658 CSLLBDGYGQSONN-UHFFFAOYSA-N 344.455 2.819 0 50 EFAA CCO[C@H]1C[C@@](N)(c2nc(-c3ccc4c(c3)CCO4)no2)C1(C)C 262097126 VHRPPLSWAYYBNC-KBXCAEBGSA-N 329.400 2.661 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1 262167232 PZGDRKXPCZTJLF-QMTHXVAHSA-N 342.351 2.502 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc(Cl)c(F)c1 238149928 ZAEQECWTDXICHD-GXFFZTMASA-N 329.755 2.538 0 50 EFAA COC(=O)c1ccc(Cl)c(NC(=O)N2CCCOCC2)c1C 376383176 FOTFIOHVJFLOEA-UHFFFAOYSA-N 326.780 2.689 0 50 EFAA COc1cc(CC(=O)Nc2ccc3c(c2F)CCNC3=O)ccc1C 283959657 DUWFFVPTLABUPD-UHFFFAOYSA-N 342.370 2.610 0 50 EFAA C[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2N)[C@@H]1C(=O)O 263024909 FXHLXVNEAJKUQX-SJCJKPOMSA-N 339.395 2.656 0 50 EFAA CC(C)CC[C@@]1(C2CC2)NC(=O)N(Cc2nc(C(C)C)no2)C1=O 240465930 GBMKZGNAQFIMIH-KRWDZBQOSA-N 334.420 2.830 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1cncc(-c2ccccc2)n1 284453664 BSWZSATYYNQUHT-HQRMLTQVSA-N 339.439 2.900 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1 77303875 SMSYETLYFAEJFG-GOSISDBHSA-N 338.407 2.850 0 50 EFAA COC[C@@H]1CCCCN1C(=O)NCc1cccc(-c2cnn(C)c2)c1 458572429 DQGATDMLBCGWHT-SFHVURJKSA-N 342.443 2.798 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2cccnc2)C1 132672167 KNIVFGFIXJAZGW-KQPPXVQYSA-N 330.409 2.535 0 50 EFAA COc1ccc2c(c1)C[C@@H](N[C@H](Cc1ccccc1)C(=O)O)CC2 263396875 GYUDHZZKCGDQSQ-PKOBYXMFSA-N 325.408 2.838 0 50 EFAA Cn1ccnc1COc1ccc(NC(=O)C(F)(F)C(F)F)cc1 176037469 DBAYRLRXDYYDQU-UHFFFAOYSA-N 331.269 2.838 0 50 EFAA Cc1ccccc1N1O[C@@H]2C(=O)N(C)C(=O)[C@H]2[C@@H]1c1cccs1 137730549 FASBBTFXANKIGF-KKUMJFAQSA-N 328.393 2.533 0 50 EFAA NC1(C(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 426361304 QIKYCNIEOSCQCK-IBGZPJMESA-N 333.520 2.763 0 50 EFAA O=C(O)Cn1nccc1[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 426477561 LWRCXBBBDJBLET-VQRJYJFOSA-N 343.402 3.000 0 50 EFAA O=C(c1cc(CO)ccn1)N1CCCC[C@@H]1CCc1cccc(O)c1 223420056 BHIYBDHEJYNGAQ-QGZVFWFLSA-N 340.423 2.907 0 50 EFAA CN(C(=O)NCCSc1nncn1C)[C@H]1CCCc2ccccc21 426465504 UKPGOXIIXXWTBM-HNNXBMFYSA-N 345.472 2.626 0 50 EFAA CC(C)N1CCC2(CC[C@H](CNC(=O)CCc3ccncc3)O2)CC1 426589749 IZIBOZRZLZJDFO-GOSISDBHSA-N 345.487 2.552 0 50 EFAA CCCc1cc(CNC2CCN(c3nc(C)cc(C)n3)CC2)on1 95376431 VKGCOMUDKCIFRG-UHFFFAOYSA-N 329.448 2.793 0 50 EFAA Cc1ccnc(NCCNC(=O)[C@@H](c2ccccc2C)N(C)C)c1 95357321 YBAKETMGZJYIEO-GOSISDBHSA-N 326.444 2.529 0 50 EFAA COCCN1CCC[C@]2(CCN(c3nc4ccccc4s3)C2)C1=O 91808204 PCWOSVXIKSYEHD-GOSISDBHSA-N 345.468 2.762 0 50 EFAA Cc1nccn1CCCC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 95363477 IDLQJNXYEFMNRJ-CQSZACIVSA-N 331.420 2.842 0 50 EFAA Cc1ccccc1[C@H](C(=O)N(C)CCN(C)C1CCCC1)N(C)C 95382369 PIIQEDPTCRAOGZ-LJQANCHMSA-N 331.504 2.931 0 50 EFAA Cc1ccc(CNC(=O)CCN(C)C[C@@H]2Cc3ccccc3O2)cc1 244678731 IIXXXJAFKCAWFA-IBGZPJMESA-N 338.451 2.937 0 50 EFAA Cc1ccccc1COC1CN(C(=O)[C@H]2COc3ccccc3O2)C1 299757366 IFYSJIOYYUCNIJ-LJQANCHMSA-N 339.391 2.562 0 50 EFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cnns2)cc1 299789896 AKAXPUSNHHDEDA-AWEZNQCLSA-N 348.428 2.760 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)nc2c1 299787738 XNJTUMRXIGHBST-HNNXBMFYSA-N 341.411 2.525 0 50 EFAA Cc1ccn2c(F)c(C(=O)N[C@@H](C)c3nc(C(C)C)no3)nc2c1 825240897 VVOSESVRSRBZEC-JTQLQIEISA-N 331.351 2.779 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCc3ccc(Cl)cc32)CC1 1875366274 JNTHMGYJWVTVQT-INIZCTEOSA-N 332.831 2.868 0 50 EFAA C[C@@H](NCC1CCCCC1)[C@H](O)C(=O)N[C@H]1CCOc2ccccc21 1875316389 MVQRZZSNKJFQJL-LJHODMEESA-N 346.471 2.546 0 50 EFAA CCCn1c(C(=O)N2Cc3n[nH]cc3[C@H]2C(=O)O)cc2ccccc21 1875320603 HELRBQYLZZJZCO-INIZCTEOSA-N 338.367 2.556 0 50 EFAA CC1(C)C[C@H](C(=O)N2CCC[C@@H](n3nccn3)C2)[C@@H]1C(F)(F)F 1875404753 TVGUWZVTGSPWBO-WOPDTQHZSA-N 330.354 2.666 0 50 EFAA O=C(NCc1cc2ccccc2nc1O)NC[C@]12CCC[C@H]1CCO2 1875294837 OSIZRBKXHHWQNA-HNAYVOBHSA-N 341.411 2.699 0 50 EFAA CCc1nc(CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cs1 886041449 XLFMGZCSTKYNRW-KRWDZBQOSA-N 346.500 2.815 0 50 EFAA O=C(O)[C@@]1(n2cc(Br)cn2)CCOC2(CCCCC2)C1 1776004217 OUSNNVGEFMAWRY-CQSZACIVSA-N 343.221 2.939 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275550946 DKQJGFVEHFKHPK-QGZVFWFLSA-N 326.444 2.845 0 50 EFAA Brc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 186211563 KPEJHGWAFHDXJE-UHFFFAOYSA-N 335.249 2.953 0 50 EFAA Fc1cccnc1OC1CCN(Cc2nnc(-c3ccco3)o2)CC1 278048520 DBFMCZAISGFAPO-UHFFFAOYSA-N 344.346 2.907 0 50 EFAA O=C(Cn1ccnn1)NCC1(c2ccc(F)cc2Cl)CCCC1 186581404 GLTMRNAIFSNSEM-UHFFFAOYSA-N 336.798 2.699 0 50 EFAA COc1cccc(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)c1 186565810 QZSXFMKZOOUMKH-GOSISDBHSA-N 339.439 2.875 0 50 EFAA CC[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CCO1 171819068 SEORMULFYXHBDG-KRWDZBQOSA-N 325.412 2.627 0 50 EFAA Cc1nc2c3ccccc3nc(SCCCC(=O)N(C)C)n2n1 187834887 FHYNURLETVEOII-UHFFFAOYSA-N 329.429 2.546 0 50 EFAA Cc1cc(C)n(-c2cncc(NC[C@@H]3CC(=O)Nc4ccccc43)n2)n1 301502803 BMYCFTTYATZONE-AWEZNQCLSA-N 348.410 2.817 0 50 EFAA CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c1 188838974 LONHAFBJEDMENR-KUHUBIRLSA-N 340.423 2.675 0 50 EFAA Cc1c(NC(=O)NC[C@]2(C)CCOC2)cnn1-c1ccccc1F 676446002 DITNTAQGWJYIMI-KRWDZBQOSA-N 332.379 2.868 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1Cc1nc(-c2ccsc2)no1 408516349 LRBGUPZWEMLGBT-RBSFLKMASA-N 349.456 2.550 0 50 EFAA CC1(C)Cc2cccc(CN(Cc3ccccn3)S(C)(=O)=O)c2O1 408524948 CHZBIEWNNBTMRX-UHFFFAOYSA-N 346.452 2.757 0 50 EFAA COC(=O)Cc1cccc(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)n1 190104250 CCJZTAVCFUEYHN-OAHLLOKOSA-N 340.379 2.529 0 50 EFAA Cn1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 225397634 VNWWDAOIPAWUQO-WFASDCNBSA-N 325.334 2.747 0 50 EFAA CNC(=O)c1cccc(CNC(=O)NCc2ccc(C3CC3)cc2)c1 191123300 HAPDFLLWCZQXLX-UHFFFAOYSA-N 337.423 2.923 0 50 EFAA CCOc1cccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)n1 682105038 RMSSPDSCVQPFAZ-HNNXBMFYSA-N 332.448 2.820 0 50 EFAA Cc1cccnc1OC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 684816269 WSZRNKUVLHNSHE-UHFFFAOYSA-N 326.400 2.674 0 50 EFAA Cc1nc(-c2ccccc2NC(=O)NC2CCC(C(=O)O)CC2)no1 738831488 GPHQUTSRMQGTJI-UHFFFAOYSA-N 344.371 2.810 0 50 EFAA COC(=O)C1CCC(Nc2cccc(CN3CCN(C)CC3)c2)CC1 192446635 QGULCMHCKZWYSD-UHFFFAOYSA-N 345.487 2.578 0 50 EFAA O[C@@H]1CCCC[C@@H]1n1nnnc1Cc1ccc(Br)cc1 193111818 HLFFLLSBRFFTGI-QWHCGFSZSA-N 337.221 2.502 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1F 193477636 HUFMCRHIAHROQW-UHFFFAOYSA-N 334.328 2.806 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(C(N)=O)cs1 195530125 ZAKVCAKMTZQUJN-XHBSWPGZSA-N 344.436 2.838 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]2O)on1 1529145248 DXOLCOKVJRJWCJ-PBHICJAKSA-N 348.830 2.631 0 50 EFAA CCc1ccc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1529180217 DMUQNSMIMSJIEC-UXHICEINSA-N 338.451 2.951 0 50 EFAA O=C(CC1CCCC1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 213157016 SOKOCJNNGVQEBU-ZBFHGGJFSA-N 347.484 2.673 0 50 EFAA CC(C)COc1ccccc1CN(C)Cc1cnc(C(=O)O)cn1 1772712517 TXNCHRZAMMAHCL-UHFFFAOYSA-N 329.400 2.842 0 50 EFAA O=C(C1CCC1)N1CCCN(c2nc(-c3ccccc3)no2)CC1 1772809573 YDCVZDOVXLDALI-UHFFFAOYSA-N 326.400 2.575 0 50 EFAA O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1 5555275 VDKXFPDTIRNWJQ-UHFFFAOYSA-N 325.336 2.518 0 50 EFAA COc1ccc(OCc2cc(C(=O)N3CCCC3)n[nH]2)c(Cl)c1 11816932 JKQKRVQNWLKIKD-UHFFFAOYSA-N 335.791 2.887 0 50 EFAA Cc1ccccc1[C@@H](CC(=O)N1CCNC(=O)CC1)c1ccccc1 12207070 RAZUHHDOOARJHR-IBGZPJMESA-N 336.435 2.866 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1 12448775 KUJCSMNDMFWZFZ-MRXNPFEDSA-N 327.403 2.863 0 50 EFAA O=C1CN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CCN1 12578408 OXGBRKJDNHOLGB-QGZVFWFLSA-N 342.826 2.820 0 50 EFAA CC(=O)N1CCC(N2CCC[C@H](N(C)CCc3ccccc3)C2)CC1 19744513 ZPWVZLJTBJUCCN-NRFANRHFSA-N 343.515 2.636 0 50 EFAA O=C(c1cccs1)N1CCC2(CC1)NC(c1ccccc1)=NO2 169755030 FYYGEAXMHIPREP-UHFFFAOYSA-N 327.409 2.662 0 50 EFAA O=c1c2cc(-c3ccccc3)nn2ccn1C[C@@H](O)c1ccccc1 169758203 WWTVCLRSUXJITH-LJQANCHMSA-N 331.375 2.897 0 50 EFAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](C2CCCC2)C1 1857528957 XUCUJXSJTZTNKR-BQFCYCMXSA-N 346.475 2.862 0 50 EFAA O=C(c1ccco1)N1CCCN(C(=O)[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 1857670740 FXTPJRFIAXIURJ-JYJNAYRXSA-N 330.428 2.780 0 50 EFAA FC(F)(F)Cc1ccc(-c2nccn2CCCc2nn[nH]n2)cc1 1857690839 NWYXVQOYXOBYSW-UHFFFAOYSA-N 336.321 2.801 0 50 EFAA CCc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@](CC)(CO)C3)s1 1857709184 JKXVSXHQJJYQAC-LNSITVRQSA-N 329.487 2.625 0 50 EFAA C[C@@H]1N(C(=O)c2cc3ccccc3o2)CCC[C@@]12CCCNC2=O 1875247942 WCSJHFSBWSPJIG-DJJJIMSYSA-N 326.396 2.954 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225683419 QZNZVTHFYWDADO-PBHICJAKSA-N 337.354 2.717 0 50 EFAA COc1cc(C2(C(=O)NCc3nc(C(=O)O)cs3)CC2)ccc1C 124170029 PVFFJWBPPAOIJZ-UHFFFAOYSA-N 346.408 2.506 0 50 EFAA CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(C)(C)C)s1 331060062 SRZDBGVTPJRPNP-NSHDSACASA-N 329.487 2.552 0 50 EFAA O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 646036759 RUPDSQXVEGFRAM-LLVKDONJSA-N 339.438 2.919 0 50 EFAA COc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)ccc1C(=O)O 237317028 NQOPZKRFILXVIQ-JKSUJKDBSA-N 343.354 2.952 0 50 EFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3cccc(C(=O)O)c3C2)n1 649257902 AQVQFIPSVOOVFG-AWEZNQCLSA-N 341.411 2.734 0 50 EFAA COCc1cccc(CN2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 344249867 TUDPLTCQLFNACT-HZPDHXFCSA-N 344.377 2.864 0 50 EFAA CC(=O)Nc1cc(CN[C@@H](C)C2CC2)cc(C(=O)N2CCCC2)c1 14999468 RGIFSZNHIVQCAP-ZDUSSCGKSA-N 329.444 2.769 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H]2C1 248711255 COWPMABXBYXKIK-IPMKNSEASA-N 327.472 2.950 0 50 EFAA COCCOCCNC(=O)N1CCC[C@@H]1[C@H]1CCCc2ccccc21 370078805 XBIGBVKAXXOWSR-RBUKOAKNSA-N 346.471 2.944 0 50 EFAA COC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2cn3ccccc3n2)C1 495802701 IBHFTJPILGFBSP-KFWWJZLASA-N 330.432 2.852 0 50 EFAA CC(C)Oc1ccc(Cl)cc1C(=O)N1C2CCC1(C(N)=O)CC2 906384381 WUZDPRQJYPFZIZ-UHFFFAOYSA-N 336.819 2.750 0 50 EFAA O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1cc(F)cc2ccoc12 824187187 PXEHMPZBKZSZLV-KRWDZBQOSA-N 347.386 2.869 0 50 EFAA CC(=O)N1CCN(C(=O)c2ccnn2C2CCC2)CC12CCCCC2 935162599 MNDFGMYJXHPUBR-UHFFFAOYSA-N 344.459 2.615 0 50 EFAA CC[C@H](CC(F)(F)F)NC(=O)c1cn(-c2ccc(OC)cc2)nn1 935396843 NRVMDZCRVHQIAQ-SNVBAGLBSA-N 342.321 2.737 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cc(Br)cn1C(C)C 122632815 MZFJIUWNONKPKF-GFCCVEGCSA-N 328.254 2.656 0 50 EFAA NCC12CC(NCC3CCC4(CC3)CC4(F)F)(C1)C1(CCC1)O2 2325777151 ICINKZLBENGCNQ-UHFFFAOYSA-N 326.431 2.975 0 50 EFAA COc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)c(OC)c1 306964 PEBBEHBUGWJEMT-UHFFFAOYSA-N 346.408 2.919 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)O)cc1 324856 OWJIRJKWNACNCI-OAHLLOKOSA-N 329.308 2.683 0 50 EFAA biogenic CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(N)=O)c1C 2736382 RFIMSSFOOJGLKI-UHFFFAOYSA-N 338.410 2.646 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC[C@]23CCCN(C)C3=O)c(C)c1 2356162665 IBTQDVWSSGZBTB-FQEVSTJZSA-N 328.456 2.768 0 50 EFAA C[C@H]1CC(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2C1 9061014 MRNBGDNOGOVISW-CYBMUJFWSA-N 340.402 2.707 0 50 EFAA CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc(Br)cc1 20058920 YHNOBRWBDPYSQK-HOTGVXAUSA-N 348.244 2.803 0 50 EFAA CC(=O)NC1CCN(C(=O)c2cc(C)nc3c(C)cccc23)CC1 55037032 BOCXFAGDULHKKS-UHFFFAOYSA-N 325.412 2.592 0 50 EFAA Cc1ccc(Cc2nc(C(=O)N3C[C@@H]4CC[C@@H](N)[C@H]4C3)cs2)cc1 248604264 JOJIHCJOHNGFGY-HRCADAONSA-N 341.480 2.852 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 248762105 MJYUXWDKBSASLZ-IJEWVQPXSA-N 330.428 2.501 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CC2=CCCCC2)C1 347945126 JJSFNEZMLDTGLF-KGLIPLIRSA-N 332.366 2.935 0 50 EFAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4[nH]cnc4c3)ccc12 170625415 LUNQVIJIWJFHQN-UHFFFAOYSA-N 349.346 2.995 0 50 EFAA biogenic O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-n2ccnc2)cc1 67613507 PTAMRBDDGXMIBR-UHFFFAOYSA-N 349.390 2.850 0 50 EFAA CC(C)N1CCC(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1 65371733 SVMZDMQFOPRVJP-AWEZNQCLSA-N 349.500 2.631 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20402169 XDHBBQIXZPIAEB-KRWDZBQOSA-N 344.361 2.886 0 50 EFAA CCCCC(=O)Nc1ccc(C(=O)N(C)Cc2nncn2CC)cc1 65372583 REQLQAHUYVZTGT-UHFFFAOYSA-N 343.431 2.699 0 50 EFAA C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 65363077 RGHFCPQBPVPCNO-ZDUSSCGKSA-N 332.425 2.573 0 50 EFAA COc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1 28403857 CFFFTVWZCPQJEM-AWEZNQCLSA-N 342.370 2.822 0 50 EFAA CCOCCCN1CC[C@H](NC(=O)NCc2ccccc2)[C@@H](C)C1 229698338 ABKPOOFAULBHOW-WMZOPIPTSA-N 333.476 2.623 0 50 EFAA CC(C)(C)c1cc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)n[nH]1 67726250 HFWOCXNTXVXTEN-UHFFFAOYSA-N 343.406 2.972 0 50 EFAA CCOC(=O)[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 120295261 JAUKGHUQDWREBM-CYBMUJFWSA-N 335.791 2.918 0 50 EFAA CC(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)c2csnc2C)CC1 328651906 WDTVTTAZIFSANZ-OAHLLOKOSA-N 335.473 2.847 0 50 EFAA C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cnn(C)c1 252670816 LTAHVQNXNLRIOH-XKQJLSEDSA-N 328.416 2.701 0 50 EFAA Cc1cccc(-c2n[nH]cc2C(=O)NCc2cccnc2N(C)C)c1 67692897 SWMUBTRZVIOYPA-UHFFFAOYSA-N 335.411 2.776 0 50 EFAA C[C@]1(C[C@@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)N=C(O)N=C1O 329342246 BAYYOJLHZAKUJW-JRPNMDOOSA-N 343.374 2.836 0 50 EFAA Cc1ccccc1C1(C(=O)N2CC[C@H](S(C)(=O)=O)C2)CCCCC1 282448460 JZPSDNUPECKREQ-INIZCTEOSA-N 349.496 2.842 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 72462777 DVKILFRNODMKQO-UHFFFAOYSA-N 344.434 2.849 0 50 EFAA C[C@@H]1CSc2ccccc2CN1Cc1nnnn1CC(F)(F)F 253432489 KPXZBDWOEIHKKA-SNVBAGLBSA-N 343.378 2.732 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)CC2CCC(C)(C)CC2)C1 331945378 FSPVEZNMUSCNQF-CABCVRRESA-N 334.464 2.710 0 50 EFAA Cc1cnc2c(c1)N(S(=O)(=O)c1ccc(C3CC3)cc1)CCO2 333761437 ZUMYZFLYEIDQKF-UHFFFAOYSA-N 330.409 2.855 0 50 EFAA Cc1n[nH]c(C(C)C)c1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 159043872 NKEAIAOANNDPOZ-OAHLLOKOSA-N 341.459 2.756 0 50 EFAA CCCC[C@@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)C(N)=O 72422204 ZALHYSXAEJRPPP-CQSZACIVSA-N 341.390 2.991 0 50 EFAA COc1c(F)cccc1C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 72171237 CKWYXVMNFZPASY-CQSZACIVSA-N 348.418 2.745 0 50 EFAA C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C(=O)O)C1 237615401 FQYKCHXEXORETA-IUCAKERBSA-N 332.183 2.694 0 50 EFAA CCC(=O)N1CCCN(C(=O)c2ccccc2N2CCCCC2)CC1 363413151 YYMVFUKANGOXNJ-UHFFFAOYSA-N 343.471 2.761 0 50 EFAA Cc1noc(-c2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)O)cc2)n1 237700301 NJAKYTOWYQKUSZ-OAHLLOKOSA-N 343.383 2.905 0 50 EFAA O=C(Nc1ccc(O)c(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 129521437 JLQBTGBQNUUYCP-QGZVFWFLSA-N 346.814 2.885 0 50 EFAA C[C@@H](NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1nc(C(C)(C)C)no1 173525793 KPERCGQHBSMKCC-VXGBXAGGSA-N 346.435 2.740 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2[nH]nc(N)c2Cl)cc1 216521242 LIBZGWJRMFYMCH-CYBMUJFWSA-N 347.850 2.684 0 50 EFAA C[C@@H]1c2ccsc2CCN1C(=O)Cc1ccccc1S(C)(=O)=O 284423510 FQRGIRZITGKEKY-GFCCVEGCSA-N 349.477 2.840 0 50 EFAA O=C(N[C@H](CO)C1CCSCC1)c1cc(-c2ccccc2)on1 77489396 VSXFIQHSNAYWJA-OAHLLOKOSA-N 332.425 2.576 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c(F)c1 240900716 ITKXGUIPSYKHGZ-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2C[C@@H]2COCCO2)c1 71749827 HJFLTSRDIJKWOL-MRXNPFEDSA-N 338.411 2.768 0 50 EFAA C[C@H](NC(=O)NCc1noc2c1CCCC2)[C@@H]1COc2ccccc21 376978478 MKVZXFHVHNAFRO-WFASDCNBSA-N 341.411 2.917 0 50 EFAA COc1cccc2c(N3CCC[C@@H]3[C@@H]3COCC[C@]3(C)O)ccnc12 284585474 OJBHZRHVZMJAHJ-VPWXQRGCSA-N 342.439 3.000 0 50 EFAA O=C(CCn1cccn1)N1CCC[C@@H](COc2cccc(F)c2)C1 77420973 JEQSZZPGLUHNKW-OAHLLOKOSA-N 331.391 2.730 0 50 EFAA CCOc1ncccc1CNC(=O)c1nc2ccc(Cl)cn2c1F 215871023 MUVXTHKXPQHIBF-UHFFFAOYSA-N 348.765 2.851 0 50 EFAA COc1ccc(Br)c(C(=O)NCc2snnc2C)c1 292035506 DAZCMUBXSQVUDL-UHFFFAOYSA-N 342.218 2.548 0 50 EFAA CC[C@@H](CNc1cc(COC)nc2ncnn12)Oc1ccccc1C 176958756 CZUBMTDLSAIMFB-HNNXBMFYSA-N 341.415 2.849 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1cccnc1)CC2)[C@H]1CCCO1 20449309 GJJBYQRAMQZOKC-LJQANCHMSA-N 337.423 2.757 0 50 EFAA O=C(N1Cc2ccccc2[C@@H](O)C1)C1(N2CCCC2)CCCCC1 82114601 JHZDXWHALFTYNU-SFHVURJKSA-N 328.456 2.861 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)N(C)CCc2noc(C(C)C)n2)cn1 426401744 LSTPQEBQUVLEQO-CYBMUJFWSA-N 331.420 2.842 0 50 EFAA Cc1ccc2nc(O)cc(C(=O)N3CCC[C@H](c4ncon4)C3)c2c1 426658461 QJZOWBSFNMNUFV-LBPRGKRZSA-N 338.367 2.652 0 50 EFAA CCNC(=O)c1ccccc1-c1cccc(C(=O)N(CC)CCO)c1 426394746 VBPXSDHYEWHYTA-UHFFFAOYSA-N 340.423 2.558 0 50 EFAA CCCN1CCC(NC(=O)N(C)Cc2nc3ccccc3[nH]2)CC1 426538356 ITHHYVHUERDAFT-UHFFFAOYSA-N 329.448 2.579 0 50 EFAA COc1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1OC 180356904 WBSGTJCFINLKTM-UHFFFAOYSA-N 335.791 2.752 0 50 EFAA CSCCN1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 426484922 VZWDAYHWWZAEAW-UHFFFAOYSA-N 341.908 2.573 0 50 EFAA Cc1ccc2[nH]c(CN[C@H](C)c3cn4ncsc4n3)cc(=O)c2c1 91351015 UBESYOPDZIXDEI-LLVKDONJSA-N 339.424 2.792 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1ccncc1C)C2 92020358 XQUBSHDJSJFKJL-INIZCTEOSA-N 326.396 2.608 0 50 EFAA CCc1nn(C)c(NC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1C 96142166 PAGRDCYJKRCUBR-KRWDZBQOSA-N 341.459 2.812 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cn1 95386970 JOTBPIAZPPEHPC-OAHLLOKOSA-N 325.368 2.503 0 50 EFAA CC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)C1 244741989 OACVUOXODWYJKO-UFYCRDLUSA-N 344.499 2.954 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)Cc1nc(-c2ccncc2)no1 252506919 WDGPJWJEPXKEDB-UHFFFAOYSA-N 346.394 2.949 0 50 EFAA Cc1[nH]nc2ncc(C(=O)N3CCSC[C@@H]3c3nccs3)cc12 184161300 MEDQVILBXJXUNN-GFCCVEGCSA-N 345.453 2.653 0 50 EFAA Cc1noc(C2CCN(C(=O)NC[C@@H](C)c3nccs3)CC2)n1 184255368 RMZWABGKRUJKER-SNVBAGLBSA-N 335.433 2.527 0 50 EFAA C[C@H](NC(=O)c1cnn2c1C[C@@H](CN(C)C)CC2)c1cccs1 299741881 HMHOUNSTFACFBH-STQMWFEESA-N 332.473 2.560 0 50 EFAA Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc3c1O[C@H](C)[C@H]3C)C2 253598277 FZCPIXAVVAZKQX-MCIONIFRSA-N 325.412 2.821 0 50 EFAA CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccncn1 864095599 RSNXEUPMBLBHLJ-OAHLLOKOSA-N 348.447 2.663 0 50 EFAA Cc1cccc(Cl)c1OCCNC(=O)N(C)C[C@@H]1CCCO1 534584229 SWJPWGSIGJYKQN-ZDUSSCGKSA-N 326.824 2.848 0 50 EFAA CN(C)[C@@H]1CCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)C1 534652170 BLMNTHAFOSLVRI-QGZVFWFLSA-N 334.423 2.777 0 50 EFAA Cc1nonc1CC(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 299787179 SAQPLFKPBCDJCQ-UHFFFAOYSA-N 328.372 2.676 0 50 EFAA Cc1cccc(Cn2ncc(C)c2NC(=O)NCC[C@@H](C)CO)c1 299798072 URBGJUSWDVRZMU-CQSZACIVSA-N 330.432 2.688 0 50 EFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H](C)Cn1cncn1 825496650 SEZMVLLGHQVHPP-SNVBAGLBSA-N 327.215 2.846 0 50 EFAA COCC(=O)Nc1ccc(OC)cc1NC(=O)c1cc(C(C)C)no1 824313271 YQAABUKBVZOHPB-UHFFFAOYSA-N 347.371 2.644 0 50 EFAA CC[C@@H](Cn1ccnc1)NC1CCN(c2cccc(OC)c2)CC1 584899147 QYGGVBXDTGUIIQ-INIZCTEOSA-N 328.460 2.929 0 50 EFAA Cc1cccc(N2CCC(NCCCn3ccccc3=O)CC2)c1 670446588 RGQCNOWGXNSODG-UHFFFAOYSA-N 325.456 2.805 0 50 EFAA OCCCn1nc(-c2ccc(F)c(F)c2)nc1CCc1cccnc1 670472955 CMPQSISAXFAXCG-UHFFFAOYSA-N 344.365 2.786 0 50 EFAA O=C(CN1CCCCCC1)N[C@@H](Cn1cccn1)c1ccccc1 670460133 KGUNIMKMMIZZCY-SFHVURJKSA-N 326.444 2.617 0 50 EFAA O=C(NCC[C@@]1(O)CCCOC1)c1cccc(Oc2ccccn2)c1 869163176 IRQOPOPMALGVPV-IBGZPJMESA-N 342.395 2.535 0 50 EFAA O=C(O)COc1ccc(C(=O)N2C[C@@H](F)[C@@H](c3ccccc3)C2)cc1 1875286609 ZQYYUNDXLXPVEB-IAGOWNOFSA-N 343.354 2.728 0 50 EFAA CCOc1ccc2nc(N3CCC(n4cnnc4O)CC3)sc2c1 1875286814 HKGDBDKMPVZTOV-UHFFFAOYSA-N 345.428 2.834 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)c3ccc(O)c(F)c3F)CC2(C)C)cn1 1875283918 HMWUFPLYRTVPQF-LBPRGKRZSA-N 335.354 2.670 0 50 EFAA Cc1cccc2c1OC[C@@H](NC(=O)c1cc(-c3ccncc3)no1)C2 1875338949 QVOQYLHOXDLWBF-HNNXBMFYSA-N 335.363 2.779 0 50 EFAA OCC12CCC(CN=c3cc(Cl)nc(-c4ccoc4)[nH]3)(CC1)OC2 1875404353 GGFNTIXPPPUQOR-UHFFFAOYSA-N 349.818 2.546 0 50 EFAA C[C@H](C(=O)Nc1ccc2c(c1)NC(=O)C2)n1ccc(C(F)(F)F)n1 895345845 WBZWPVHVDRCEKJ-MRVPVSSYSA-N 338.289 2.596 0 50 EFAA C[C@@]1(C2CC2)COCCN1C(=O)c1cccc(Oc2cnccn2)c1 890583122 MVWPLSOOWURLKQ-IBGZPJMESA-N 339.395 2.910 0 50 EFAA Cc1ccc(C2(O)CCN([C@H]3CCN(c4ccccc4)C3)CC2)nc1 1506417793 LFQAGZUKABCSLQ-IBGZPJMESA-N 337.467 2.952 0 50 EFAA CCc1ncnc(N2CCC(NC(=O)c3ccccc3C)CC2)c1F 270494316 DQSCNPIDYNCNDB-UHFFFAOYSA-N 342.418 2.885 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1nc(C(F)(F)F)n[nH]1 1365023063 FGUWFTHOJPKSLV-CCUNJIBTSA-N 338.333 2.979 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)OCCO2 275394105 CCOMGEMWTVJAGF-HNAYVOBHSA-N 343.427 2.542 0 50 EFAA C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)c1nc2ccccc2o1 170593748 TZEQZUFVBFHSBB-NSHDSACASA-N 340.335 2.610 0 50 EFAA O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(Oc2ccncc2)cc1 171807450 DHSBUHGQJBLBDY-INIZCTEOSA-N 334.397 2.795 0 50 EFAA Cc1cc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)c2c(C)n[nH]c2n1 680153600 JCTDVUUPBFEPPG-GFCCVEGCSA-N 344.321 2.716 0 50 EFAA O=C(NC1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1)C1CCC1 188505083 VUCMQBUHDVUIJO-UHFFFAOYSA-N 341.386 2.562 0 50 EFAA C[C@@H]1C[C@@H](C)CN(CCSc2nnc(-c3cccnc3)n2C)C1 408523813 NREMYUBBNRUMMD-ZIAGYGMSSA-N 331.489 2.947 0 50 EFAA CN(C(=O)c1csnn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190437027 IVMCJQAISOWIRI-NEPJUHHUSA-N 344.223 2.575 0 50 EFAA Cc1cc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ccn1 190508896 CNEGWKMIVHXCNG-QGZVFWFLSA-N 339.443 2.771 0 50 EFAA Cc1cc(F)c(Br)cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 190920585 AWWHUEFWQAVNHZ-VHSXEESVSA-N 343.196 2.955 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 192182292 GFMQZJKXPNZIBO-OAHLLOKOSA-N 344.440 2.549 0 50 EFAA O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1c(F)cccc1F 194904150 MMYRQHSWHZDWOV-UHFFFAOYSA-N 343.355 2.881 0 50 EFAA CCOC1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCOCC1 668284796 XHGSRAVSDIVOMQ-UHFFFAOYSA-N 333.340 2.655 0 50 EFAA Cc1noc(C)c1CCCNC1CCN(C(=O)c2ccncc2)CC1 1506411754 KUBXEFWYMBKIAJ-UHFFFAOYSA-N 342.443 2.513 0 50 EFAA CCN1C[C@@H](CN(C)C2CCN(c3ccc(F)cc3C)CC2)CC1=O 1506431405 NPEPVGWCLPFTCW-MRXNPFEDSA-N 347.478 2.903 0 50 EFAA O=C(CC1CC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 215505807 YIJOAOPLGDBROQ-WBVHZDCISA-N 346.496 2.930 0 50 EFAA Cc1cc2c(cc1Cl)OCc1nnc([C@@H](C)N3CCOCC3)n1-2 1772712852 SEEQWPXAIIZJML-LLVKDONJSA-N 334.807 2.515 0 50 EFAA O=C(Cn1ccc2ccccc21)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775976893 BLPNMNUXRDMLCD-HXUWFJFHSA-N 334.423 2.871 0 50 EFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2c(C)cc(C)cc2C)n1 5154919 JXPXSNJWSYFJCF-UHFFFAOYSA-N 331.441 2.988 0 50 EFAA COC(=O)[C@@H](O)[C@@H](Sc1ccccc1N)c1ccc(OC)cc1 5570185 MPWGGMIUPWSNEV-HOTGVXAUSA-N 333.409 2.645 0 50 EFAA Cc1ccc(CN(C)C[C@@]2(O)CCCN(CC3CCC3)C2=O)cc1 11816805 XFEWTJSAQGCFJD-FQEVSTJZSA-N 330.472 2.580 0 50 EFAA Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12297350 LHBVKHDRAAXONY-MRXNPFEDSA-N 345.418 2.754 0 50 EFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 13152777 RZFAQGIEMSXELB-LOUJCGABSA-N 327.490 2.690 0 50 EFAA CCOc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1 13646312 FVYNTIVUKLGOMZ-UHFFFAOYSA-N 334.441 2.500 0 50 EFAA CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 16622184 KLOVGHWDJDBHKF-UHFFFAOYSA-N 332.425 2.969 0 50 EFAA CCSc1nnc(N)n1[C@@H](CC)C(=O)Nc1ccc(OC)cc1 16650212 IURZTKKXWRVJBZ-LBPRGKRZSA-N 335.433 2.571 0 50 EFAA OCC[C@H]1CN(Cc2ccc(O)c(Cl)c2)CCN1C1CCCC1 19227446 LBOCSTCSTSXLEW-INIZCTEOSA-N 338.879 2.857 0 50 EFAA c1csc(-c2n[nH]c3c2CN(Cc2cnc4nccn4c2)CC3)c1 19782292 MTYZABCSLOCAPU-UHFFFAOYSA-N 336.424 2.739 0 50 EFAA COc1ccccc1C=CCN1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 1857532019 KTLQKCAFWKGQKA-CXAGYDPISA-N 329.400 2.862 0 50 EFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCO3)C[C@H]1N 1857731458 QXBNXJZNAWPUGI-YQVWRLOYSA-N 346.471 2.550 0 50 EFAA COCC1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)CC1 334111624 CJEQAQRTHVSJBL-NRXISQOPSA-N 334.464 2.718 0 50 EFAA CC(=O)N1CC[C@@H](CNC(=O)CSCc2ccc(Cl)cc2)C1 408516602 INFCLFVSFVBPAO-AWEZNQCLSA-N 340.876 2.558 0 50 EFAA C[S@@](=O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 110931740 XPVVOLOZTSVLEC-QHCPKHFHSA-N 326.377 2.518 0 50 EFAA Cc1ccsc1-c1nsc(NC(=O)NC[C@@H]2CC[C@H](O)C2)n1 225595989 GENMRVXPUMASQC-ZJUUUORDSA-N 338.458 2.858 0 50 EFAA COC[C@@H]1CCCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1 113295053 VJQOPYVJXSQESK-CQSZACIVSA-N 334.441 2.590 0 50 EFAA O=C(NCCc1cccc(Cl)c1)N1CCC[C@@H](Cn2ccnn2)C1 120451143 HQCFGVXSCRKIGK-OAHLLOKOSA-N 347.850 2.596 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)c1coc(C2CCOCC2)n1 328814431 PGFAKMNNMUMKEB-LLVKDONJSA-N 330.388 2.988 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(c2ccc(C(=O)O)cn2)CC1 647453388 FHKMABNDINQCPB-KRWDZBQOSA-N 340.427 2.666 0 50 EFAA Nc1ncnc(N2CCC[C@H]2c2cccc3c2OCCO3)c1Cl 242339199 ZFTUKMBUFTYKMM-NSHDSACASA-N 332.791 2.825 0 50 EFAA CC[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(Br)c2)C1 248967535 OIIASGJRKACORN-QWHCGFSZSA-N 328.206 2.686 0 50 EFAA CC1CCN(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 152486440 DLFALRSERJKIDC-UHFFFAOYSA-N 342.487 2.698 0 50 EFAA C[C@H](NC(=O)Cc1cccc(C(=O)O)c1)c1ccc2c(c1)OCCO2 262248824 VEZQXRANFSASCR-LBPRGKRZSA-N 341.363 2.576 0 50 EFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCCN(C(=O)C2CC2)CC1 158410776 PYPJURBKNPWENR-INIZCTEOSA-N 328.456 2.960 0 50 EFAA O=C(O)[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263573951 NCHMSAHAIUGEES-RNCFNFMXSA-N 343.210 2.505 0 50 EFAA C[C@@H](N)C1(c2nc(C(F)(F)c3ccc(F)cc3)no2)CCOCC1 904587176 NLAYESNTEWNZML-SNVBAGLBSA-N 341.333 2.744 0 50 EFAA Brc1cnc([C@H]2CCCCN2Cc2cnsn2)nc1 932518595 MGCGBQQDOATHCM-LLVKDONJSA-N 340.250 2.818 0 50 EFAA O=C(c1ccccc1-n1cccn1)N1CC2(COc3ccccc3C2)C1 2100534654 RUGJCQFECOZQHT-UHFFFAOYSA-N 345.402 2.950 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(F)c1 477237 CRRZQKZXGFLBSM-CQSZACIVSA-N 334.372 2.649 0 50 EFAA C[C@@H](N)[C@H](NC(=O)c1cnn2cccnc12)c1ccc2ccccc2c1 2325862937 OFCGJWOXTXOZLE-ACJLOTCBSA-N 345.406 2.701 0 50 EFAA Cc1c(C(=O)Nc2cccc3c2oc(=O)n3C)nc(O)c2ccccc12 1446182878 CWFOTXBCANXDDC-UHFFFAOYSA-N 349.346 2.946 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(F)c(F)c2)C1 176252 JALAFJZIDKJNRI-GFCCVEGCSA-N 340.370 2.569 0 50 EFAA Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 465683 AETUHKOKVUAZOM-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA O=c1[nH]c(CSc2ncn(-c3ccccc3)n2)nc2ccccc12 1425301 YSFQCWRVNHRQHJ-UHFFFAOYSA-N 335.392 2.796 0 50 EFAA C[C@]1(C(=O)NC2CCCC2)CC1(Br)Br 2295063 ZRJYETNLTPGEEH-SECBINFHSA-N 325.044 2.941 0 50 EFAA COC(=O)c1cccc(C(=O)N2CCC(OC(F)(F)F)CC2)c1 2356151113 SBHWBKQVXUFPRD-UHFFFAOYSA-N 331.290 2.614 0 50 EFAA COc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cc1Cl 2356156717 NQPYPFXFJGNJBS-LBPRGKRZSA-N 344.802 2.629 0 50 EFAA COc1ccc(-c2noc(CNC(=O)Cc3ccc(C)cc3)n2)cc1 4868317 LRNMZNGLYHFVFW-UHFFFAOYSA-N 337.379 2.913 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 6681788 WSCTYCHVFNTODS-UHFFFAOYSA-N 334.759 2.708 0 50 EFAA CC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 7608376 GQIJYNNCPPLOPH-UHFFFAOYSA-N 347.374 2.798 0 50 EFAA biogenic Cc1ccc(-n2cnnc2)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 343999268 FQSDYOFOSOXXPN-GFCCVEGCSA-N 338.333 2.990 0 50 EFAA CN(Cc1cncc(F)c1)C[C@@H](c1cccs1)N1CCOCC1 225614175 JQDWLJYURBGIEF-INIZCTEOSA-N 335.448 2.788 0 50 EFAA COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCC23OCCO3)o1 225806637 FNEYOTWJMDUZPP-LSDHHAIUSA-N 335.400 2.633 0 50 EFAA COc1ccc(CN(CC(C)C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 55343465 WJZMNTXNLDBNMZ-KRWDZBQOSA-N 346.471 2.937 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)o1 247046797 VUVMODSGRGXDED-WMHQRMGPSA-N 336.432 2.642 0 50 EFAA O=C(NCCCc1ccccn1)N1CCCN(c2ccccc2)CC1 178423181 OCRCDKVUMSVVKH-UHFFFAOYSA-N 338.455 2.936 0 50 EFAA CCn1c(=O)c(C(=O)Nc2ccc(OC)cc2)c(O)c2ccccc21 100446862 VHWXTCIITNSHOH-UHFFFAOYSA-N 338.363 2.988 0 50 EFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 10450855 BSXKBWADEROCEI-QZTJIDSGSA-N 344.455 2.658 0 50 EFAA CCn1c2ccccc2c2cc(CN3CCN(CCO)CC3)ccc21 22027623 ROINZYPBGIUPJP-UHFFFAOYSA-N 337.467 2.924 0 50 EFAA Cc1cccnc1-n1nc(C(C)C)nc1-c1nc2ccccc2[nH]c1=O 67847813 ALOWAGXEDCYWCJ-UHFFFAOYSA-N 346.394 2.998 0 50 EFAA Cc1cccc([C@H](C(=O)NCCc2[nH]nc3c2CCCC3)N(C)C)c1 67674908 WDFPNBCAPUBDPS-LJQANCHMSA-N 340.471 2.559 0 50 EFAA COc1cccc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)c1OC 67641249 GTGCJSJKONTYTK-LBPRGKRZSA-N 327.384 2.711 0 50 EFAA Cc1ccc(-c2cccnc2)cc1NC(=O)NCCCc1nc[nH]n1 252492591 MPZYXXJWASGIFI-UHFFFAOYSA-N 336.399 2.929 0 50 EFAA Cc1nc2sccn2c1CN1CCN(C2CCCC2)[C@@H](CCO)C1 23375101 DKVGNIRIGCWLIX-INIZCTEOSA-N 348.516 2.515 0 50 EFAA COc1ccc2c(CC(=O)N[C@H]3CCN4CCCC[C@@H]34)coc2c1 229384325 CMSHPWLCAQUKBC-IRXDYDNUSA-N 328.412 2.727 0 50 EFAA CC[C@H](Nc1nc2nonc2nc1NCCOC)c1ccc(F)cc1 23369346 QQUXMVDKCXWSMB-LBPRGKRZSA-N 346.366 2.773 0 50 EFAA CC(C)=CCN1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO 20209345 HUZAIXDSOBGNOI-INIZCTEOSA-N 338.879 2.880 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2n[nH]c3ccccc23)c1 282361724 FSKTZSISMYJZFF-SUMWQHHRSA-N 337.379 2.520 0 50 EFAA CC(C)N1CC[C@H](NC(=O)c2cnn(C)c2)[C@H]1c1ccc(F)c(F)c1 253369646 GCRSWFGAVXBWLH-DLBZAZTESA-N 348.397 2.652 0 50 EFAA O=C(N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C1(c2ccccc2)CCCC1 253394718 AOCZNTIYZQHSST-OTWHNJEPSA-N 343.467 2.887 0 50 EFAA O=C(NC[C@H]1CCN(CCc2ccccc2)C1)Nc1ccc(F)cn1 122248593 YGZNDRUMBFCQEK-MRXNPFEDSA-N 342.418 2.907 0 50 EFAA Cc1cc2c(c(SCC(=O)Nc3ccc(F)cc3)n1)C(=O)OC2 1446038 DYSWYCIPENRKHZ-UHFFFAOYSA-N 332.356 2.930 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 253416851 BYSWRLIODVSMNJ-PKIAMQTDSA-N 343.345 2.765 0 50 EFAA CC[C@@H]1CN(c2nccc(OC)n2)CCC(=O)N1Cc1ccccc1 71745535 SFEQESPKYFCKRD-MRXNPFEDSA-N 340.427 2.503 0 50 EFAA C[C@@H]1CCCN(CCCOc2ccc(CN3CCN(C)CC3)cc2)C1 216471520 QRHDGXPUOKGNPX-LJQANCHMSA-N 345.531 2.935 0 50 EFAA O=C1C[C@H](Nc2ncnc3[nH]ccc23)CN1[C@H]1C[C@@H]1c1ccccc1 363554823 BORUZYFEQSVJRU-IMJJTQAJSA-N 333.395 2.527 0 50 EFAA COc1ccccc1[C@H]1CCCN1S(=O)(=O)NCc1ccccc1 71422386 KHRCTIWTMYGWGG-QGZVFWFLSA-N 346.452 2.867 0 50 EFAA COCc1nc2n(n1)C[C@H](N[C@@H]1CCCCc3ccccc31)CC2 124684345 VMJGYSRKBNAURE-NVXWUHKLSA-N 326.444 2.797 0 50 EFAA Cn1ncc2c(N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)ccnc21 367434518 IHYSAJDZZDPWQN-HNNXBMFYSA-N 341.802 2.839 0 50 EFAA CCCCc1nc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c[nH]1 39362351 INDWRPZBPSBWSA-GOSISDBHSA-N 336.524 2.667 0 50 EFAA OCCOc1cccc(CN2CC(Oc3ccccc3Cl)C2)c1 72164315 ZDPKKRMDFCRRHP-UHFFFAOYSA-N 333.815 2.974 0 50 EFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 378122743 XXIGMPBNLZUPPM-HOCLYGCPSA-N 342.418 2.680 0 50 EFAA O=C(C1CC1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71775861 UKVVWKHUORGNKS-BMGDILEWSA-N 332.394 2.763 0 50 EFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1 72171228 ZALYPIQNZXRRGL-GOSISDBHSA-N 343.471 2.806 0 50 EFAA CN(Cc1ccccc1F)C(=O)c1ccnc(NC(=O)C2CC2)c1 285164490 PKTQIDWAXBERGG-UHFFFAOYSA-N 327.359 2.841 0 50 EFAA O=C1NCCc2c(NC(=O)N3CCCc4occc4C3)cccc21 333948396 WHXFGODTFKMGNU-UHFFFAOYSA-N 325.368 2.546 0 50 EFAA O=C(Cc1cccnc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72430498 CJEWTRXEVPXSHR-UHFFFAOYSA-N 339.483 2.737 0 50 EFAA COc1ccc2c(c1)OCCN(C(=O)C[C@H](O)c1ccccc1)C2 374755137 ZSPKZAYLRLKTSL-KRWDZBQOSA-N 327.380 2.540 0 50 EFAA O=C(Nc1ccc(N2C[C@@H]3CC[C@H](C2)O3)cc1)c1ccc(O)cc1O 375571658 PXTNHEZUOQSZDJ-IYBDPMFKSA-N 340.379 2.718 0 50 EFAA CCN(C)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)c1 245339180 RBMMUZZOJQFZEZ-IPMKNSEASA-N 345.487 2.895 0 50 EFAA COc1ccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1 221039923 AYYGDDNJPIPCPO-ZFWWWQNUSA-N 335.400 2.948 0 50 EFAA Cc1cc(-c2cccc(C(=O)N[C@@H](C)c3nncn3C)c2)cc(C)n1 426538467 URUABIDHJJKJIM-AWEZNQCLSA-N 335.411 2.985 0 50 EFAA O=C(CC1CCCCC1)N[C@@H]1CCOC[C@H]1OCc1cscn1 220756248 AHDMGXWXZFCXOK-HZPDHXFCSA-N 338.473 2.904 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)NCC3(C)COC3)C2)c1 426544371 JMLNPMBJOXYDCW-HNNXBMFYSA-N 348.443 2.532 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2ccccc2)no1 294292553 VQPJSOQBWHCKEY-KKUMJFAQSA-N 327.384 2.954 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN[C@@H](c2ccccc2)C1 91695787 PGPHGHMAULMZFE-GOSISDBHSA-N 340.471 2.888 0 50 EFAA O=C(NCc1nc(-c2ccccc2)cs1)[C@H]1CC[C@@H](C(=O)O)C1 97527800 WJODRMJMKNKLIS-QWHCGFSZSA-N 330.409 2.927 0 50 EFAA 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Cc1cc(N2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cc(C)n1 1772705801 PVYXZQNWUOUOGD-ICSRJNTNSA-N 340.423 2.583 0 50 EFAA CCOC(=O)CN(C)C(=O)c1cc(COc2c(C)cccc2C)on1 12072684 WJMYEUTUZGIMMT-UHFFFAOYSA-N 346.383 2.506 0 50 EFAA CCc1ocnc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12315649 YMSNUZGFMCLUIS-CQSZACIVSA-N 331.391 2.771 0 50 EFAA CN(C)c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 12319724 ZKBHZWAOGFLODX-INIZCTEOSA-N 343.471 2.806 0 50 EFAA O=C(NCCCc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 15514750 CSYMLBCZQJIJQG-UHFFFAOYSA-N 347.418 2.705 0 50 EFAA biogenic CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 16578654 IEAFLOREQHOOBP-UHFFFAOYSA-N 336.388 2.864 0 50 EFAA c1ccc(Cn2nncc2CN2CCC(OC3CCC3)CC2)cc1 418088044 FOHAHTCXCXONKW-UHFFFAOYSA-N 326.444 2.860 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 331450572 DVBBBARZSIQLTC-JLSDUUJJSA-N 345.418 2.925 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccc(F)cc2Cl)cnn1C 331983583 KWYOSWOHARFGJA-LSDHHAIUSA-N 337.782 2.781 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2ccccc2Cl)n1 332044332 LJKZTRWRYCCYSL-BMIGLBTASA-N 335.791 2.563 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 237533001 YIEQZQOFRINQMX-NHYWBVRUSA-N 326.400 2.566 0 50 EFAA Cc1ccc(-n2[nH]c(C(=O)N3CCCC[C@H]3C(F)F)cc2=O)cc1 337593476 NZFHHENLNVIBOK-AWEZNQCLSA-N 335.354 2.734 0 50 EFAA CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 248170401 RTVKREQPQJLIJB-GVAFMPQTSA-N 342.395 2.743 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N3C[C@@H](O)C4(CC4)C3)c2C(C)C)cc1 375285394 CHPRYEDPVXGRFD-QGZVFWFLSA-N 339.439 2.901 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 263144164 YOUQUNBKOKFPID-ZNMIVQPWSA-N 340.379 2.975 0 50 EFAA Nc1nnc(SCC(=O)Nc2cccc(Br)c2)s1 4602759 OEPZYDDWGDJJNF-UHFFFAOYSA-N 345.247 2.614 0 50 EFAA C[C@@H]1CCc2nc(C(=O)Nc3cccc(CCC(=O)O)c3)cn2C1 909509640 AFCNMKNPMKAKCY-GFCCVEGCSA-N 327.384 2.735 0 50 EFAA CC(C)(C)c1nc(CN2CCN(Cc3cccc(O)c3)CC2)co1 929989676 PFCCKVVFDZPYLE-UHFFFAOYSA-N 329.444 2.996 0 50 EFAA Cc1cn2c(=O)cc(CN3CCC[C@@H]3c3c(C)n[nH]c3C)nc2s1 930128235 ZGPLMFDEHASHGL-CQSZACIVSA-N 343.456 2.741 0 50 EFAA C[C@@H](C(=O)N1CCC(OCCN2CCCC2)CC1)c1cccc(O)c1 933915975 OIEWKPFTNUSHBX-MRXNPFEDSA-N 346.471 2.599 0 50 EFAA Cn1nccc1C1=CCN(C(=O)[C@@H](O)C2CCCCCCC2)CC1 935916305 GKZCZXOIHHJXEG-SFHVURJKSA-N 331.460 2.757 0 50 EFAA O[C@H](CNCc1cccc(C(F)(F)F)n1)COCc1ccccc1 644656977 NJKUNGWUDOIRLU-OAHLLOKOSA-N 340.345 2.768 0 50 EFAA C[C@H]1CN(c2cc(-c3nc(=Nc4ccccc4)[nH]o3)ccn2)CCO1 2325736786 WYYGCOGYNRTZOJ-ZDUSSCGKSA-N 337.383 2.522 0 50 EFAA CC[C@@H](CC(=O)NS(=O)(=O)c1nc2ccccc2s1)C1CC1 2325773492 ILLUMLXMYAJGHX-JTQLQIEISA-N 338.454 2.928 0 50 EFAA COc1cc(OC)c(CN2C[C@@H](CC(=O)O)C(C)(C)C2)cc1F 2325788240 UUVVUTLUBCHOJO-GFCCVEGCSA-N 325.380 2.776 0 50 EFAA Cc1ccc(N(CCc2nn[nH]n2)C(=O)c2occ(C)c2C)cc1 2325807936 KUPDTJOILVCCMR-UHFFFAOYSA-N 325.372 2.607 0 50 EFAA CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(Cl)cc2Cl)S1 285475 JCJKCGKPVKJFSB-NSHDSACASA-N 332.212 2.994 0 50 EFAA CC(=O)Oc1ccc2c(C)cc(=O)oc2c1I 449420 YFOCOVBSNQHYKD-UHFFFAOYSA-N 344.104 2.631 0 50 EFAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1 1409854 LRSLTLNSTFMZBD-UHFFFAOYSA-N 346.799 2.636 0 50 EFAA COc1ccccc1CCC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356154345 ROWSQBNZICHTBS-FQEVSTJZSA-N 339.439 2.858 0 50 EFAA Cc1cccc2sc(NC(=O)CSc3nnc(N)s3)nc12 2808949 PHBDCCLJFRLGQL-UHFFFAOYSA-N 337.455 2.769 0 50 EFAA COc1ccc(-c2nccn2C[C@H](C)OC)cc1-c1cnn(C)c1 2356170783 NIGYZHSQQXDHIX-ZDUSSCGKSA-N 326.400 2.994 0 50 EFAA CCOc1ccc(C(=O)CCC(=O)N(C)Cc2cnccn2)cc1C 55393041 GXWIKQZGVIWJMT-UHFFFAOYSA-N 341.411 2.805 0 50 EFAA Cc1ccnc(SCc2cc(=O)[nH]c(Nc3ccccc3)n2)n1 9264651 RMZNDLWTEXXGNW-UHFFFAOYSA-N 325.397 2.904 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1c(C)[nH]c(C(C)=O)c1C 55037079 LLVVTDZQBBETPO-CQSZACIVSA-N 332.400 2.840 0 50 EFAA O=c1[nH]c2cc3nc(-c4cc(F)ccc4-n4cccn4)[nH]c3cc2[nH]1 55370003 NHXQANRGHLSCCA-UHFFFAOYSA-N 334.314 2.724 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@@H](O)C[C@H]3c3ccc(F)cc3)nc2c1 348265978 XPFSBZNMPREHGC-RDJZCZTQSA-N 339.370 2.730 0 50 EFAA CCc1nnc(CN(C(=O)[C@@H](c2cccc(C)c2)N(C)C)C(C)C)o1 65408677 PQBBWEHPQRUOLH-GOSISDBHSA-N 344.459 2.980 0 50 EFAA CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S 5679280 SUQXVXZIPDXCSQ-MRVPVSSYSA-N 346.865 2.653 0 50 EFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 67947990 QJPYZKYHUAOHNJ-CYBMUJFWSA-N 343.456 2.630 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2ncc[nH]2)C1 12306478 ZIXIILQLIPHQMN-LJQANCHMSA-N 345.418 2.937 0 50 EFAA OC[C@H](Cc1ccc(F)cc1)NCc1ccn(-c2ccccc2)n1 358506216 KWBXSFJGPHRULE-SFHVURJKSA-N 325.387 2.705 0 50 EFAA Cc1ccc(-n2c(Cc3ccncc3)nnc2SCC(=O)O)cc1 67713265 UTEHHEDLKAFAEJ-UHFFFAOYSA-N 340.408 2.738 0 50 EFAA C=Cc1ccc(C(=O)N2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 253392718 UWKJMCGYTMBEPM-ISWURRPUSA-N 329.396 2.653 0 50 EFAA CCc1ccccc1N1C[C@H](C(=O)N2CC(CC(F)F)C2)CC1=O 425088074 MQHGATWPOVMRMZ-CQSZACIVSA-N 336.382 2.716 0 50 EFAA O=C1[C@H](Nc2ncnc3cccc(F)c23)CCCN1c1cccnc1 253427269 YACYTEQZZYSJBL-OAHLLOKOSA-N 337.358 2.771 0 50 EFAA COCc1cc(NCCc2cnn(-c3ccccc3)c2)n2nccc2n1 72475969 LINOZPDBLXWEDC-UHFFFAOYSA-N 348.410 2.716 0 50 EFAA O=C(Cc1ccn[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 122297132 CHQKUUODEYJTKR-SECBINFHSA-N 344.362 2.834 0 50 EFAA CCc1cc(N2CCC(NC(=O)c3cccc(C)c3F)CC2)ncn1 122373820 CODZALLZJSHHRX-UHFFFAOYSA-N 342.418 2.885 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)N[C@@H](c1ccccc1)c1nccs1 153470962 WJZFOFOYDIUJRV-INIZCTEOSA-N 339.424 2.518 0 50 EFAA Cc1oc(-c2cccs2)nc1CN[C@H]1CCC(=O)N[C@@H]1C1CC1 367446178 CDEYTFIHHVZDAC-BLLLJJGKSA-N 331.441 2.858 0 50 EFAA COC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 262112437 BAHCHSXHLJDFGX-HXUWFJFHSA-N 339.391 2.917 0 50 EFAA CC(C)Cn1c(CN2CCC[C@](O)(CN(C)C)C2)nc2ccccc21 72436335 WMKGMTRASQWFMR-FQEVSTJZSA-N 344.503 2.581 0 50 EFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)O)o1 237175717 BNUUEPJASIXXQH-UHFFFAOYSA-N 339.351 2.597 0 50 EFAA COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCNC2)cc1 237163684 GYVKTVPATHHTOX-HNNXBMFYSA-N 326.396 2.713 0 50 EFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1C[C@H]2CCCC[C@H]2C1 241837537 SKXNBDYWCGYTKX-ZSXDVEMLSA-N 349.519 2.707 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cccnc2N(C)C)N2CCCC2)o1 337721650 PSJAAJLTJGRKAI-INIZCTEOSA-N 342.443 2.616 0 50 EFAA CCCc1ccc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)o1 216387156 PJTVRPBQWHJFPS-INIZCTEOSA-N 327.428 2.908 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](N(C)C)CC3)c12 72145301 FPWUHNAALQPHQF-CQSZACIVSA-N 342.443 2.965 0 50 EFAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@H]1CC12CCNCC2 238123453 QLPINJZFKSPZKN-MRXNPFEDSA-N 347.422 2.725 0 50 EFAA Cc1ccc2oc(C(=O)Nc3ccc(N4CCCC4=O)cn3)cc2n1 178757234 PBZSVXWLKCQCOB-UHFFFAOYSA-N 336.351 2.910 0 50 EFAA Cc1nc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(C)o1 340886161 BXYJYCSVHWEPDV-UHFFFAOYSA-N 328.347 2.589 0 50 EFAA Cn1cnc2c(C(=O)Nc3nc(C4CCOCC4)cs3)ccnc21 288138019 IYWICLFQAQSSIF-UHFFFAOYSA-N 343.412 2.571 0 50 EFAA O=C(c1ccn2ccnc2c1)N(Cc1ccncc1)C[C@H]1CCCO1 178714781 XSBAKAJIUIHNQZ-QGZVFWFLSA-N 336.395 2.551 0 50 EFAA COc1ncccc1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 20601460 YPEWZWJTZONJGJ-GOSISDBHSA-N 341.342 2.986 0 50 EFAA CCCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)[C@H]1CCNC1 178882714 XBHHXBAZYJYETM-HNNXBMFYSA-N 329.448 2.535 0 50 EFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1csc(C2CC2)n1 178049470 ONMBPJHZPINSMB-CQSZACIVSA-N 328.393 2.672 0 50 EFAA CCc1nccn1CCC(=O)N(C)CCc1nc2cc(F)ccc2[nH]1 223320957 YCLIUANFJUJZTL-UHFFFAOYSA-N 343.406 2.552 0 50 EFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)NCc3nnc(C)o3)C2)c1 426404426 YTXGGFZEOUOSSK-OAHLLOKOSA-N 344.415 2.687 0 50 EFAA CN(C)Cc1nnc(C2CCN(c3ccncc3F)CC2)n1C1CC1 82099361 DADNLUQENKNEQK-UHFFFAOYSA-N 344.438 2.593 0 50 EFAA CC(=O)c1ccc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc1 82087844 ZWBMRNRZIQRRHO-UHFFFAOYSA-N 336.395 2.687 0 50 EFAA CCc1ccc(CN(CC)C(=O)NCCCN2CCC[C@@H](O)C2)cc1 426538697 YHASQRJESYMVIU-LJQANCHMSA-N 347.503 2.627 0 50 EFAA Cc1c(C(=O)N(CC2CC2)c2ccccc2)nnn1C1CCNCC1 161761765 IXRRSVABSJJYGO-UHFFFAOYSA-N 339.443 2.568 0 50 EFAA COc1ccc(F)cc1CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95371599 YLAICBABEZOLGO-YLJYHZDGSA-N 343.398 2.805 0 50 EFAA Cc1cccc(OCCCN(C)C(=O)NC[C@H]2CCCN(C)C2)c1 426477236 PHRXODJVLUZPQF-QGZVFWFLSA-N 333.476 2.747 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)NCC[C@@H]1CCCCN1C 426618391 TUIKAHLKMOIEHQ-AWEZNQCLSA-N 347.488 2.707 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCN(Cc2ccco2)CC1 91779348 RUTCGIUWYWPFFA-UHFFFAOYSA-N 336.395 2.628 0 50 EFAA CC(=O)N1CCCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 97823670 VXHDGACOOOQTPB-UHFFFAOYSA-N 338.407 2.754 0 50 EFAA CCc1nc2ccc(NC(=O)NC(C)(C)c3nnc(N)s3)cc2[nH]1 96136564 HNDNVTWFFNYLRO-UHFFFAOYSA-N 345.432 2.616 0 50 EFAA CCc1cc(O)nc(CS[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 162380468 SEMNIQKWPWTOOX-SNVBAGLBSA-N 349.378 2.531 0 50 EFAA Cc1nc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)cs1 92003016 WONNIWTXFRZNMJ-JKSUJKDBSA-N 344.436 2.629 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]21 142380500 GXIZSOVZVRKXEC-CABCVRRESA-N 332.400 2.874 0 50 EFAA COc1ccc(-n2cccn2)c(CN2CC(n3nc(C)cc3C)C2)c1 97716755 DULPBJWHYIFHEM-UHFFFAOYSA-N 337.427 2.751 0 50 EFAA CN(C)C1(CNC(=O)Nc2ccc(Cl)c(F)c2)CCOCC1 97307459 UUMZBRYGBLHGGN-UHFFFAOYSA-N 329.803 2.711 0 50 EFAA CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H](c2ccccc2)C1=O 95383330 XDACEGAKKBHTNJ-KRWDZBQOSA-N 326.440 2.651 0 50 EFAA COc1ccc(Cl)cc1NC(=O)CCN(C)Cc1nc(C)c[nH]1 244701172 KBMQVPGJRQCSHJ-UHFFFAOYSA-N 336.823 2.841 0 50 EFAA O=c1[nH]c2ccccc2n1C1CCN(CCCc2cccnc2)CC1 244873063 WJLMGFNARGOQJW-UHFFFAOYSA-N 336.439 2.994 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cccn2C(C)C)[C@H]2C[C@@H](O)C2)cn1 244595019 DMZPKFUNJFRIIB-RVKKMQEKSA-N 343.427 2.715 0 50 EFAA C[C@H](C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21)c1ccccc1 183134614 HECRLFXAFPXACP-ZDUSSCGKSA-N 345.420 2.619 0 50 EFAA COc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1OC(F)F 299371648 WDKKKJYJUMXLMP-LBPRGKRZSA-N 340.370 2.607 0 50 EFAA Cc1cccc2oc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)nc12 534578892 KVCRBZHENDMXJP-GFCCVEGCSA-N 328.368 2.628 0 50 EFAA C[C@H](NC(=O)N1CCC(Oc2ncccn2)CC1)c1ccsc1 534645954 XASGJHLMPLNGQI-LBPRGKRZSA-N 332.429 2.852 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)c2cc(-c3ccccc3)on2)C1=O 1940193455 PRVWJSHRBMXECD-IBGZPJMESA-N 339.395 2.569 0 50 EFAA Cc1csc([C@H](C)NC(=O)c2cc(Cl)ccc2OCCN)n1 299766629 KJLBPPPIDUYTHD-JTQLQIEISA-N 339.848 2.933 0 50 EFAA Cc1cc(C)nc(CCNC(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)n1 299773341 FCIICPFMPXCTIV-AWEZNQCLSA-N 342.447 2.934 0 50 EFAA COc1cccc(-c2nc(Cc3cccs3)nn2CCO)c1F 828778222 AEARXIDJXSNVGU-UHFFFAOYSA-N 333.388 2.737 0 50 EFAA O=C(NCCSCc1cccc(Cl)c1)NC1CCNCC1 828015617 UMGUKCKBMDXRTA-UHFFFAOYSA-N 327.881 2.624 0 50 EFAA C/C=C/c1ccc(OCC(=O)NC2CCC(C(=O)O)CC2)c(OC)c1 268946406 WOPTUDZGHYUBKW-ONEGZZNKSA-N 347.411 2.867 0 50 EFAA COc1c[nH]c(C(=O)N2CCC[C@@H](c3cccc(C)c3)C2)cc1=O 670452957 RVPXWEDLZNBGPH-OAHLLOKOSA-N 326.396 2.712 0 50 EFAA CCOC(=O)c1ccc[n+]([O-])c1/C=C/c1ccc(N(C)C(C)C)nc1 864087299 RSRZJGJYVWIUCX-CSKARUKUSA-N 341.411 2.907 0 50 EFAA O=C1C[C@@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C2(CCCCC2)O1 670442829 VBOGXNOZOUCPGZ-LBPRGKRZSA-N 345.374 2.584 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCCC3)C[C@H]2CO)c1 1875298395 ZETKOENLYXOMCH-KRWDZBQOSA-N 342.439 2.968 0 50 EFAA C[C@H](N)[C@@H](CCc1ccccc1)NC(=O)c1ccnn1CC1CCC1 1875287755 YGTYHNQZEDUXBR-MAUKXSAKSA-N 340.471 2.762 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Oc3ccccn3)cc2)cn1 1875381300 QBGLPKWOTUXVAH-QMHKHESXSA-N 336.395 2.871 0 50 EFAA O=C(O)c1ccccc1CNC(=O)N1CCC[C@@H]1c1ccncc1 874409434 KYWVOFJIQREOQU-MRXNPFEDSA-N 325.368 2.827 0 50 EFAA C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2c1nc(C(C)(C)C)ns1 1875407851 IYRLFVKMURWPSA-PDWCTOEPSA-N 348.516 2.965 0 50 EFAA Cc1cnn([C@@H](C)C(=O)Nc2cc(-c3ccc(O)nn3)ccc2C)c1 952984668 LPWMCDKUKQWTLU-ZDUSSCGKSA-N 337.383 2.862 0 50 EFAA C[C@@H](CNS(=O)(=O)CC[C@@H]1CCCC1(F)F)c1nccs1 952995568 QCOBXXSIBRVDFT-QWRGUYRKSA-N 338.445 2.992 0 50 EFAA CN(Cc1cccc(O)c1)C(=O)C1CCN(Cc2ccco2)CC1 952989905 DTYJGUZDDDLGFX-UHFFFAOYSA-N 328.412 2.856 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)c2cc(F)ccc2C)CC[C@H]1C(F)(F)F 888076458 MBTBHMYUFIJWFV-JSGCOSHPSA-N 346.324 2.806 0 50 EFAA COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc4ccc(C)nc34)[C@@H]2C1 888461689 QXPNHFSSTSZZJZ-WTTBNOFXSA-N 338.407 2.861 0 50 EFAA O=C(Nc1nnc(C2CC2)s1)[C@H]1CC[C@H](Nc2ncccn2)CC1 1774674645 SXZUQTAAKWPCTG-UMSPYCQHSA-N 344.444 2.815 0 50 EFAA Cn1ccnc1C1(O)CCN(c2cnc3cc(Cl)ccc3n2)CC1 1339807411 JXEYMEHIIWITNR-UHFFFAOYSA-N 343.818 2.505 0 50 EFAA COCCCN1C(=O)CC[C@@H]2CN(c3nccc4occc34)CC[C@@H]21 1565528043 XCBMMLSCSJPIRA-ZBFHGGJFSA-N 343.427 2.682 0 50 EFAA Cc1nc2n(n1)CCN(C(=O)N[C@@H]1CCc3ccc(C(C)C)cc31)C2 275402724 RIPDVCXANIKKTC-QGZVFWFLSA-N 339.443 2.923 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc3cc(C)c(C)cc3o2)o1 275470738 URVPINBIKKVBPR-AWEZNQCLSA-N 341.367 2.955 0 50 EFAA CCN1CCN(CCC(=O)N2C[C@H](C(C)C)c3ccccc32)CC1 278368188 ODKBUWRCKWJLIC-GOSISDBHSA-N 329.488 2.800 0 50 EFAA CN1CCC(C)(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 170596473 QHIBVBXQXYJTEE-UHFFFAOYSA-N 332.835 2.944 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@@H](Oc3cccnc3)C2)cc1 170604502 GTHDXKWLDCYGEV-MRXNPFEDSA-N 332.425 2.533 0 50 EFAA COc1cccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)n1 171323222 VOCQALUUZBAPTD-INIZCTEOSA-N 345.374 2.512 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(c2nncn2C2CC2)CC1 408382396 CVVGPPZCCUVFEK-HZPDHXFCSA-N 332.448 2.524 0 50 EFAA CN(C)Cc1ccccc1NC(=O)c1cnc(C2OCCO2)s1 408516408 DEPRXONFYIZIDN-UHFFFAOYSA-N 333.413 2.502 0 50 EFAA Nc1c(Cl)cc(C(=O)N2CCC(O)(C(F)F)CC2)cc1Cl 408514243 ZXAJXECJWVMEFZ-UHFFFAOYSA-N 339.169 2.808 0 50 EFAA O=C1CCCN1CCc1nc(-c2cccc(C(F)(F)F)c2)no1 109489366 RABHAVGGFXORFN-UHFFFAOYSA-N 325.290 2.920 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)N[C@@H](c1ccccc1)[C@H]1CCCO1 188337035 JGZXKVAGVCUMFP-QUCCMNQESA-N 339.439 2.868 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2cc(Cl)cn2C)nn1 643902890 MYLAMKRVBUXTRD-CYBMUJFWSA-N 333.823 2.512 0 50 EFAA CC[C@H](C(=O)O)N1CCO[C@H](c2ccc(Br)cc2)C1 191411769 LNLDJVIQEZDTDK-OLZOCXBDSA-N 328.206 2.686 0 50 EFAA CO[C@@](C)(C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1F 192128131 RHBIDZSPIJCCNZ-LJQANCHMSA-N 345.418 2.823 0 50 EFAA C=Cn1cc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 194403256 PWLNDEHHXOPRFK-OAHLLOKOSA-N 334.782 2.671 0 50 EFAA CCOCCCN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 195530325 MRZNTBPLLSWREB-LPHOPBHVSA-N 347.503 2.619 0 50 EFAA O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1snc(O)c1Cl 655336047 BVARFQYAZLEXBY-NTSWFWBYSA-N 344.742 2.732 0 50 EFAA O=C1NCCCN(Cc2ccc3c(n2)CCC3)[C@H]1Cc1ccccc1 656630332 WKSXZZFQOWCKET-FQEVSTJZSA-N 335.451 2.504 0 50 EFAA O=C(NC[C@@H](O)C1CCC1)Nc1cccc(Br)c1F 667919155 XCCXWMRCIUDGNY-LLVKDONJSA-N 331.185 2.871 0 50 EFAA c1ccc(N2CC[C@@H](N3CCC(N4CCSCC4)CC3)C2)cc1 1506421938 LMVBQXVFIXNSOR-LJQANCHMSA-N 331.529 2.779 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)NC[C@@H]1CCN(C2CCCC2)C1 1506408309 DKNCFCRONOTGDO-GJBLVYBDSA-N 334.485 2.634 0 50 EFAA CN(C(=O)Cc1cc(Br)ccc1F)c1cnn(C)c1 124848892 KBNUGOBUZRUIHO-UHFFFAOYSA-N 326.169 2.527 0 50 EFAA Cc1cccc(CC(=O)N2CCCN(c3ccncc3F)CC2)c1 1772816554 UMVSXQAJLNXBMA-UHFFFAOYSA-N 327.403 2.811 0 50 EFAA O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccccc2F)c1 12404466 XAOBJRVIMCBMRG-OAHLLOKOSA-N 342.370 2.987 0 50 EFAA O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865630 MWKARCXPFGFVSW-GFCCVEGCSA-N 347.777 2.543 0 50 EFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)CCC2 1857692780 UGYMVKORPWVUNC-INIZCTEOSA-N 335.411 2.722 0 50 EFAA O=C1C[C@H]2N(Cc3ccc(-c4ccccn4)cc3)CC[C@]23OCCCN13 1857710498 ZWVSKANOTNYFJH-CTNGQTDRSA-N 349.434 2.672 0 50 EFAA CC(C)c1nnc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 1857719417 KRCDRUNMGPEPRL-HZPDHXFCSA-N 344.484 2.924 0 50 EFAA CCn1ccnc1[C@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 451927721 LALPRSGAUOKJJY-VIFPVBQESA-N 331.800 2.735 0 50 EFAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)O)ccc2C)C1 120252688 DQGVVOYQSJBISX-IUODEOHRSA-N 346.427 2.916 0 50 EFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccnn2C)cc1 121940525 DGZPKYURJRDKOK-UHFFFAOYSA-N 348.406 2.911 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(-n2cccn2)cc1 248110744 HCHPUPHOIBZLNO-RTBURBONSA-N 338.455 2.500 0 50 EFAA C[C@H](c1nnnn1-c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 249720063 LOXIVQCWAONQEU-VXGBXAGGSA-N 325.338 2.998 0 50 EFAA C[C@@H](c1nc(-c2ccc(Br)cc2)no1)N1CCOCC1 349880693 CHXQJBNUFGVCCG-JTQLQIEISA-N 338.205 2.892 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)ccc1OCC(C)C 156316137 HANCEYGFMJGNKJ-GDBMZVCRSA-N 334.460 2.929 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N[C@H]2CC=CCC2)c(C)c1CC(=O)O 391438102 LEVJFXLWJPCHBC-AWEZNQCLSA-N 337.441 2.626 0 50 EFAA CCc1c(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)ccn1C 843985267 QJGQGSKUBIWPFB-CYBMUJFWSA-N 340.427 2.608 0 50 EFAA CCS(=O)(=O)c1ccc(CN[C@@H]2CCOC23CCCC3)s1 903166174 VUKDIATVFDWOFS-CYBMUJFWSA-N 329.487 2.733 0 50 EFAA Cn1nc(-c2ccncc2)cc1C(=O)N[C@@H]1CCc2ccccc2OC1 908038434 KCAZBXUDMXKXLP-MRXNPFEDSA-N 348.406 2.606 0 50 EFAA COc1cc2c(cc1F)CN(C(=O)Cc1ccc(C(=O)O)cc1)CC2 911664308 AWTWRRYWIVQIEG-UHFFFAOYSA-N 343.354 2.660 0 50 EFAA Cn1cc(C(=O)NC2CCC(O)(c3ccccc3)CC2)c(Cl)n1 828489825 ZAEBOKLVJGNVKW-UHFFFAOYSA-N 333.819 2.634 0 50 EFAA CC1(C)CC[C@H](CCNC(=O)Nc2cnc3c(c2)COCC3)OC1 930748366 DDOFQWDGRZXZCF-OAHLLOKOSA-N 333.432 2.871 0 50 EFAA Oc1cc(CN2Cc3ccccc3OC3(CCOCC3)C2)ccn1 932037723 CPIRZXUDIOSFRP-UHFFFAOYSA-N 326.396 2.731 0 50 EFAA CCCc1cc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)cc(O)n1 935897151 SJEFVVPHZSAYHV-FUHWJXTLSA-N 341.411 2.737 0 50 EFAA CN(Cc1cccc2c1OCCO2)[C@@H](c1ccccc1)c1nc[nH]n1 852150645 ASPHTKNXNOTIAA-KRWDZBQOSA-N 336.395 2.797 0 50 EFAA O=S(=O)(Nc1cccc2c1CCNC2)c1ccc(Cl)s1 131031158 CWOASFKMNNZEOS-UHFFFAOYSA-N 328.846 2.848 0 50 EFAA COc1cccc(NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c1 202672 QPYXDYFTEKSINJ-KBXCAEBGSA-N 333.384 2.525 0 50 EFAA biogenic CC(C)[C@@H]1COCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 2325784071 ZFOWLOQBWMAAKR-INIZCTEOSA-N 330.428 2.558 0 50 EFAA COc1cccc([C@H](CN)NC(=O)c2cc3cc(Cl)ncc3[nH]2)c1 2325858666 WQWZCEDSQVCEIV-AWEZNQCLSA-N 344.802 2.655 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(O)nc2c1CCCC2 934922157 MIZUWXQZWGLKLE-CYBMUJFWSA-N 330.428 2.888 0 50 EFAA CN1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 245343964 WQHOGAYPOLSXLI-UHOFOFEASA-N 340.826 2.767 0 50 EFAA COc1cc(C(=O)Nc2cccc3nsnc23)cc(OC)c1OC 104053 VFCJKGAJTRJXCJ-UHFFFAOYSA-N 345.380 2.969 0 50 EFAA COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(O)c1)CC(=O)N2 4911656 AIDRHJHYTBDKKM-GFCCVEGCSA-N 329.352 2.892 0 50 EFAA CCOc1ccc(Cl)cc1CNCCCSc1nnnn1C 4993811 IZCGBSBXQKUTDY-UHFFFAOYSA-N 341.868 2.534 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@]2(CC=CCC2)C1 114434937 KETMORXBRKZYIW-HXUWFJFHSA-N 337.423 2.745 0 50 EFAA Cc1ccc(-n2nc(C(=O)N[C@H](C)[C@H](C)O)c3c2CCCC3)cc1 346501649 ZYSPVIWURBMHMB-KGLIPLIRSA-N 327.428 2.559 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(c1ncc(F)c(N3CCCC3)n1)C2 67894749 OMINWQDNTXJRCE-UHFFFAOYSA-N 342.422 2.824 0 50 EFAA CCc1c[nH]nc1C1CCN(Cc2ccccc2OCCO)CC1 67841404 CFGMTUYVLCBEPK-UHFFFAOYSA-N 329.444 2.723 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 67587168 KZZAIWWBZCFGAZ-QGZVFWFLSA-N 344.503 2.780 0 50 EFAA O=C(NCCc1[nH]nc2c1CCCC2)c1c[nH]nc1-c1ccccc1 67908100 RTJRWCWANGWREA-UHFFFAOYSA-N 335.411 2.651 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(C(N)=O)cc1 136987600 OXZGBJFHVUOUHU-INIZCTEOSA-N 338.407 2.644 0 50 EFAA CCOC(=O)CSc1nnc(COc2ccccc2Cl)n1C 17071486 JWPVGXLNNSYGIY-UHFFFAOYSA-N 341.820 2.703 0 50 EFAA CCCc1cc(C(=O)NCc2csc(-c3ncccn3)n2)ccn1 65395332 MCNQTXANVPPGOP-UHFFFAOYSA-N 339.424 2.878 0 50 EFAA COc1ccc(CC(=O)NCC2(N)C3CC4CC(C3)CC2C4)cc1 424043650 NRYYFCQILSBBCA-UHFFFAOYSA-N 328.456 2.508 0 50 EFAA Cc1ccc(C2(CN(C)CCc3c(C)n[nH]c3C)CCNCC2)nc1 67885359 KQMMMILRYBWIIU-UHFFFAOYSA-N 341.503 2.526 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@@H](C2CC2)C1 229939976 SULFVKKWMLKYOH-ILXRZTDVSA-N 331.464 2.943 0 50 EFAA Cn1ccc(CC(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)c1 12050746 YAJPMGDOHZHKLK-KRWDZBQOSA-N 347.422 2.613 0 50 EFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)nc2)C1 67541230 UYCYFFOUBPKJDI-OAHLLOKOSA-N 340.427 2.939 0 50 EFAA C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 252677224 YGFROOGMGKGCSD-UAGQMJEPSA-N 334.460 2.861 0 50 EFAA CC(C)(CN1CCCCCC1)c1nc2cc(-n3cnnn3)ccc2[nH]1 67894386 QECUWLDRIXGDII-UHFFFAOYSA-N 339.447 2.692 0 50 EFAA C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)CC1CCOCC1 173001437 QJWAUYSJHQWUSN-LLVKDONJSA-N 333.400 2.714 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2nc3ccc(F)cc3o2)C1 328624716 KBGMJNPEJLBGGU-DGCLKSJQSA-N 332.335 2.620 0 50 EFAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)ns1 332162419 VUZBAIKSBMKMME-AWEZNQCLSA-N 329.425 2.503 0 50 EFAA Cc1nc(C2CCCC2)sc1C(=O)Nc1ccn(CC(=O)O)n1 122875052 KVOAYHFWVGTKKY-UHFFFAOYSA-N 334.401 2.643 0 50 EFAA CC(C)Nc1ncccc1C(=O)N1CC[C@@H](Oc2ccccn2)C1 363791240 IWZCPIRLKUBAFJ-CQSZACIVSA-N 326.400 2.590 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc(-n2cnnn2)cc1 175802333 KRZHWGKFWRCFOO-INIZCTEOSA-N 338.367 2.734 0 50 EFAA C[C@@H]1CN(c2ccc3nnc(-c4ccsc4)n3n2)C[C@H](C2CC2)O1 366504886 MICYDYGSZKAZQH-BXUZGUMPSA-N 341.440 2.857 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1COc2ccccc21 332746359 MEERTRYWJWLHRJ-VIXHLQAQSA-N 338.407 2.509 0 50 EFAA Cc1ccn(-c2ccc(C(=O)N[C@](C)(CC(=O)O)C(C)C)cc2)n1 262888695 HHMCLCICENNJOP-GOSISDBHSA-N 329.400 2.800 0 50 EFAA O=C(N[C@@H]1CCCN([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1 367560225 UYOVWSMSQSYTBK-CABCVRRESA-N 342.361 2.689 0 50 EFAA COc1c(C)cc([C@H](C)NCc2nnc3n2CCOC3)cc1Cl 367595369 NNLYLBCQRVUKMI-NSHDSACASA-N 336.823 2.630 0 50 EFAA Cc1nnc(CN2CCCC[C@@H]2COC(=O)N2CCCCCC2)o1 367602222 RWUMBYTWQIUOII-OAHLLOKOSA-N 336.436 2.745 0 50 EFAA Cc1cc(-n2cccn2)ccc1-c1nccn1[C@@H](C)Cn1cncn1 71661917 HNLKPZDDTHKSJS-HNNXBMFYSA-N 333.399 2.897 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)OC1=O 77337642 IJGPQHXNUAVCNG-GFCCVEGCSA-N 349.431 2.907 0 50 EFAA CCCOc1c(CN2CCOC[C@@H](CO)C2)cc(Cl)cc1OC 77540503 DIHHXGYESFFNHQ-CYBMUJFWSA-N 343.851 2.578 0 50 EFAA O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@H]3C2)C1 240244147 DKGNHLNUMRULMN-JYJNAYRXSA-N 333.476 2.609 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H](c2ccccc2)CO1 263364261 VMIOEHSNIHDLBR-KSSFIOAISA-N 339.391 2.916 0 50 EFAA Cc1ccc(C)c(CC(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 220010533 MBZNWWMZSYYXLR-UHFFFAOYSA-N 343.471 2.642 0 50 EFAA Cc1ccc(C2(C(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)cc1 82106678 PGTMVKDWDPECPA-UHFFFAOYSA-N 334.419 2.902 0 50 EFAA O=C(O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1 19850530 FHKCDFWFVFSPQP-UHFFFAOYSA-N 340.423 2.581 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n(C)n1 81820924 MSJTUEMTZLFBFJ-INIZCTEOSA-N 326.444 2.548 0 50 EFAA CSc1cccc([C@@H](C(=O)O)N2CCN(c3ccccn3)CC2)c1 95365337 MWKLUHNRJMDMNW-KRWDZBQOSA-N 343.452 2.751 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)CC[C@H](C)C2 91461622 YVQWNWYYKIOHAL-ZDUSSCGKSA-N 347.484 2.895 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1 91585865 RZSXWJZZJDIOPO-AWEZNQCLSA-N 332.831 2.876 0 50 EFAA COc1ccccc1-n1nc(C)nc1-c1ccc2nc(CO)[nH]c2c1 96179783 ZLKMTMSEFWQOPN-UHFFFAOYSA-N 335.367 2.620 0 50 EFAA Cc1ccc([C@@H](C(=O)N(C)CCn2nc(C)cc2C)N(C)C)cc1 95371008 MUNVPCXLZGEZMR-SFHVURJKSA-N 328.460 2.570 0 50 EFAA COc1cccc([C@@H]2CCN2C(=O)Cn2ccc3ccccc3c2=O)c1 95528869 LXBWARYAUKWBHI-IBGZPJMESA-N 348.402 2.984 0 50 EFAA COc1cccc([C@H]2[C@H](NCC3=CCCOC3)CCN2C2CC2)c1 180376025 RMTPOFGWBVMVMJ-UXHICEINSA-N 328.456 2.909 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)[C@H]2Cc3ccccc3CN2)C1 91620646 JQVJLJGHRLBXDY-LJQANCHMSA-N 336.435 2.608 0 50 EFAA Cc1nc(-c2cccnc2)ncc1C(=O)N(C)CCc1ccccn1 97259375 YCNAULUYQPJCIV-UHFFFAOYSA-N 333.395 2.557 0 50 EFAA COc1coc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1=O 91965991 SXBPDDOOUJUSNP-IBGZPJMESA-N 327.380 2.842 0 50 EFAA Cn1cccc1-c1cc(C(=O)NCCCc2nc3ccccc3o2)[nH]n1 91645611 SEGLOWQJLVDWGF-UHFFFAOYSA-N 349.394 2.919 0 50 EFAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@]2(CCOC2)C1 91997478 LETGKYNRTUFPHA-GOSISDBHSA-N 329.375 2.859 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCNc3ccncc3C)n[nH]2)o1 91326505 BRLCGRSHGLQFPT-UHFFFAOYSA-N 325.372 2.523 0 50 EFAA O=C(c1ccn2ccnc2c1)N1CC[C@@H](Oc2cccc(F)c2)C1 181910994 IQWALSBRRCDWSH-MRXNPFEDSA-N 325.343 2.767 0 50 EFAA Cc1nc2ccccc2c(O)c1CCC(=O)NCC1(O)CCCCC1 244620006 FKBLPNCUSQUIFG-UHFFFAOYSA-N 342.439 2.993 0 50 EFAA Cn1cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c2ccccc21 244874295 WYMXSRJWLNXOKF-BIENJYKASA-N 335.407 2.815 0 50 EFAA C[C@H](CC(=O)c1ccccc1)NC(=O)Cc1ccc2c(c1)NC(=O)C2 183538610 LUFVBXJKZHPLDZ-CYBMUJFWSA-N 336.391 2.501 0 50 EFAA CCOC(=O)c1sc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1C 299380533 PNVCNKYSMNWLTM-NWDGAFQWSA-N 341.429 2.756 0 50 EFAA Cc1ccc(CN2CCN(c3ncnc4sccc34)CC2=O)cc1 32500566 AMPVHWFFYMLSQJ-UHFFFAOYSA-N 338.436 2.849 0 50 EFAA CCNC(=O)c1ccc(NC(=O)N2CCC3(CCO3)CC2)c(C)c1 299776426 KQIJBCZSLHWMQV-UHFFFAOYSA-N 331.416 2.532 0 50 EFAA CSc1ncc(CNC(=O)c2[nH]c(-c3ccccc3)nc2C)n1C 824959827 WIHNHFITUXQPDN-UHFFFAOYSA-N 341.440 2.771 0 50 EFAA COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)S1 584904309 IDORCFZPNOJAMP-CRQFQMBKSA-N 330.446 2.622 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 269219888 ZXZSBLIZNXHLSB-MRXNPFEDSA-N 325.364 2.812 0 50 EFAA CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3n[nH]cc32)cc1OCC 65470077 RCWFEWZBHLSUGL-NSHDSACASA-N 329.356 2.516 0 50 EFAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)CC3CCCCCC3)C2)cn1 868453840 VMKJXDSGWUYKOH-CVEARBPZSA-N 347.459 2.797 0 50 EFAA CCC[C@H](NS(=O)(=O)c1cnc2ccccn12)c1ccccn1 1875289721 KVZNYLRARKSTDS-AWEZNQCLSA-N 330.413 2.549 0 50 EFAA O=S(=O)(c1ccccc1)c1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1 1875385642 XXXCWZHDMAAKNA-JXFKEZNVSA-N 343.448 2.992 0 50 EFAA O=C(NCC1(C(=O)O)CCC1)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320467 QNEKHTWMKXTEQR-UHFFFAOYSA-N 342.317 2.963 0 50 EFAA NC(=O)c1ccc(N2CCC[C@H](CNc3ccc(Cl)cc3)C2)nn1 895905500 KKJCPLJZGCDGBU-GFCCVEGCSA-N 345.834 2.557 0 50 EFAA Cn1c(C(=O)O)ccc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 1775993697 HRPJFZVGKAMJNY-HOTGVXAUSA-N 346.358 2.513 0 50 EFAA Cc1cccc(C2(CNC(=O)[C@H]3NCc4ncncc43)CCCC2)c1 1775962498 OOWYXWHERFMOTF-SFHVURJKSA-N 336.439 2.558 0 50 EFAA CC[C@H](O)[C@H](C)NC(=O)c1c(F)cc(Br)c(F)c1F 1775998628 FKVAFVAFAAMANU-XNCJUZBTSA-N 340.139 2.756 0 50 EFAA Cc1nnc(CN2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)o1 1565529751 FGJCSHPSFRPKFN-MOPGFXCFSA-N 340.471 2.907 0 50 EFAA CCN1CCCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1=O 276361723 PPPPOYOOJYAUAD-UHFFFAOYSA-N 333.819 2.526 0 50 EFAA C[C@@H]1CCC[C@H]1CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 186651891 ITVGPBCKZZLREO-YPMHNXCESA-N 336.461 2.542 0 50 EFAA Cn1cc(C(N)=O)cc1C(=O)Oc1ccc(F)c(C(F)(F)F)c1 170604339 RELMCTRBGVCXGL-UHFFFAOYSA-N 330.237 2.501 0 50 EFAA CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc3c1CCOC3)CC2 639497807 XRBCMMFMDGFEPH-OALUTQOASA-N 331.456 2.511 0 50 EFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)[C@@H]1COc2ccccc2C1 653333416 OTAWSXGYTHOXSE-RRQGHBQHSA-N 337.375 2.667 0 50 EFAA OC[C@@H](NCC1(O)CCSCC1)c1cccc(Cl)c1Cl 662049949 DCUBJWVRBSCVIL-GFCCVEGCSA-N 336.284 2.875 0 50 EFAA CCn1cnnc1CCNC1CCN(c2ccc(F)cc2C)CC1 1506407399 VSVCRPFVERUXQN-UHFFFAOYSA-N 331.439 2.547 0 50 EFAA Cc1nn(CCCNC(=O)c2cnn3cccc(C)c23)c(C)c1C 1772706470 SDCGKFXWCCOPHM-UHFFFAOYSA-N 325.416 2.585 0 50 EFAA CCN(CC)C[C@H](O)COc1ccc(CNCC(C)C)cc1OC 11661650 CHSRCWZKCNDINC-KRWDZBQOSA-N 338.492 2.522 0 50 EFAA CC(C)(CO)NCc1ccc(OCc2ccc3c(c2)OCO3)cc1 12381821 FXPLJBZESBCMKA-UHFFFAOYSA-N 329.396 2.855 0 50 EFAA CCOCc1cc(CN2CC[C@@]3(CCCN(C)C3=O)C2)ccc1OC 12750636 BCAYMBWNORNIKW-FQEVSTJZSA-N 346.471 2.676 0 50 EFAA O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 15435745 IOARWUPQVWJMCJ-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)CCc2cnn(C)c2)c(F)c1 19781771 UKYQXYDQAMNQIN-UHFFFAOYSA-N 343.406 2.632 0 50 EFAA COc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(F)c1 1857527367 VWZPAENKTCEKPZ-ZJUUUORDSA-N 333.363 2.510 0 50 EFAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(F)cc2F)o1 1857529526 PGZWIMJUUHVFRS-BTDLBPIBSA-N 349.337 2.646 0 50 EFAA CN1CC[C@@H](n2ccnc2-c2ccccc2OCCn2ccnc2)C1 1857728514 DZLLDHLZSLKCCH-MRXNPFEDSA-N 337.427 2.702 0 50 EFAA CO[C@@H]1Cc2ccc(NC(=O)NCc3cccc(C(=O)O)c3)cc2C1 841841962 ZHHDYLDUQHYPOH-QGZVFWFLSA-N 340.379 2.820 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225683393 QZNZVTHFYWDADO-YOEHRIQHSA-N 337.354 2.717 0 50 EFAA Cc1cc(NC(=O)CN2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)no1 229634998 AJHGKXBCCKRKPR-UVBSCNOISA-N 329.400 2.772 0 50 EFAA CCc1noc(COC2CN(Cc3ccc(F)cc3Cl)C2)n1 643833822 HTZCVFMLSDQTMW-UHFFFAOYSA-N 325.771 2.826 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 237084871 XYQXMXQTAXUIJS-CYBMUJFWSA-N 332.835 2.597 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 237508450 RHMVLJFHAQQPNI-ZHAHWJHGSA-N 326.190 2.737 0 50 EFAA Cc1noc(C)c1CC(=O)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12372958 UJBWOLAXCYOGIT-IBGZPJMESA-N 331.460 2.558 0 50 EFAA FC(F)(F)c1cnc(N2CC[C@H](NCc3ncc[nH]3)C2)c(Cl)c1 151200242 UGWNGQPLKCHTBS-JTQLQIEISA-N 345.756 2.845 0 50 EFAA O=C(CCc1ccccc1C(=O)O)Nc1cccc2c1OCC[C@H]2O 911602185 GQFAUZONBCNAGS-MRXNPFEDSA-N 341.363 2.772 0 50 EFAA CCc1ccc2ccccc2c1CN1CCC(S(N)(=O)=O)CC1 930118158 FRSVOTMHVLUILK-UHFFFAOYSA-N 332.469 2.655 0 50 EFAA OCCN1CCC[C@H]2[C@@H]1CCN2Cc1csc(-c2cccs2)n1 934252767 PJTVMDODFSLLEY-GJZGRUSLSA-N 349.525 2.903 0 50 EFAA Cc1noc(C)c1C(C)(C)NC(=O)c1cccn(CC(C)C)c1=O 935963441 MLEQVPOEJIWDHB-UHFFFAOYSA-N 331.416 2.774 0 50 EFAA CCn1ccc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)n1 840398560 FJAIZUHVGHGABK-GOSISDBHSA-N 338.411 2.589 0 50 EFAA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)N(C)CCc2ccccn2)cn1 2325816678 VFOAOSIILSXOJW-MSOLQXFVSA-N 342.443 2.638 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2OC)NC(=O)N1 175947 DARGRIPHQWYBGF-OAHLLOKOSA-N 348.399 2.675 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 309734 XXZYOUQAYNTHNA-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCCCC1 2880083 VJQFYDARFYBWBA-UHFFFAOYSA-N 341.194 2.602 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2cccc3ncccc23)CC[C@H]1O 2356159656 LSDDNMYNIUOVIP-IEBWSBKVSA-N 328.412 2.673 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3ccc4ccccn34)CC2)ccn1 2356166001 SGFGATUKJWMBDE-UHFFFAOYSA-N 334.423 2.995 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 20279904 LHQPKUCSRBQLEO-KRWDZBQOSA-N 344.361 2.886 0 50 EFAA Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1c(C)nn(C)c1C 247203220 PANWDBPCYQTPFA-ROUUACIJSA-N 343.471 2.922 0 50 EFAA Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cn1 116107983 UJPQWXACWVAEBE-QGZVFWFLSA-N 327.403 2.857 0 50 EFAA Cc1ccc(NC(=O)CC(=O)NC[C@H](O)c2ccccc2Cl)cc1 55197655 GFUGCJHUGJBILP-INIZCTEOSA-N 346.814 2.827 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(Cn2cccn2)c1 67675269 VEGUULWELORTHF-CYBMUJFWSA-N 337.427 2.773 0 50 EFAA Cc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 347364983 ZLCHHAOHDZEDKI-STQMWFEESA-N 337.420 2.695 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3C[C@@H](F)C[C@H]3CO)c2)cn1 347440967 OFYMUGVOGWWMAF-IRXDYDNUSA-N 344.386 2.514 0 50 EFAA CCn1ncc(CN[C@@H]2CCCN(Cc3cccc(OC)c3)C2)c1C 20449049 XPQHFSYNJRHABK-LJQANCHMSA-N 342.487 2.974 0 50 EFAA COCc1cn(C[C@@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63855635 JJHQRRMMVSDUJF-OAHLLOKOSA-N 334.464 2.634 0 50 EFAA C[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc3nn[nH]c3c2)no1 350490874 VMYRIUNMIIKXAB-VIFPVBQESA-N 328.376 2.621 0 50 EFAA O=C(c1cccnc1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67691892 MMCJLKRAXWXVHF-UHFFFAOYSA-N 347.374 2.884 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 229295462 JPWLRTLHPMEWNT-GXTWGEPZSA-N 332.448 2.574 0 50 EFAA O=C(NCc1ccc2c(c1)CCCO2)c1ccc(-n2cnnc2)cc1 65454952 LTIFRPYXYFDJAO-UHFFFAOYSA-N 334.379 2.522 0 50 EFAA CC(C)(C)CS(=O)(=O)CC(=O)Nc1ccc(Br)cc1 281959877 UFVAOWPXGJHTTJ-UHFFFAOYSA-N 348.262 2.849 0 50 EFAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccccn1)CC2 121867585 ZWFFKSKKPPMRBZ-SNVBAGLBSA-N 336.317 2.942 0 50 EFAA Cc1ccc(CCC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)o1 328640525 XKBAJIDSKQKOBU-INIZCTEOSA-N 343.427 2.662 0 50 EFAA COc1ccccc1NC(=O)[C@H](C)Cn1cc(Br)cn1 2795624 XQVKIXAPLSREED-SNVBAGLBSA-N 338.205 2.929 0 50 EFAA CC(C)c1nccc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)n1 219073494 CAAXIUKGRBUOBJ-GOSISDBHSA-N 341.459 2.646 0 50 EFAA O=C(Cc1ccccc1O)NCCc1nccc(-c2ccccc2)n1 219872955 NYVDVNLHOBQAJW-UHFFFAOYSA-N 333.391 2.751 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COC2CCC(C)CC2)c1 282511365 NYLXSNDYOOLDBO-JWBIFMHMSA-N 347.455 2.925 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2c2ccccn2)sc2nc[nH]c(=O)c12 72463435 XNDFXFYIFHPDGI-GFCCVEGCSA-N 340.408 2.665 0 50 EFAA CCCCN1C[C@]2(CCCN(Cc3snnc3C)C2)CCC1=O 77516281 MTLOJQISXHLPSP-QGZVFWFLSA-N 336.505 2.851 0 50 EFAA C[C@H](O)[C@@H](C)S(=O)(=O)Cc1ccc(Br)cc1Cl 172889605 HQXXMLWOBIKDSE-JGVFFNPUSA-N 341.654 2.787 0 50 EFAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cn2ccsc2n1 77489273 ONEVOFFEXLQYIH-ZDUSSCGKSA-N 343.456 2.757 0 50 EFAA O=C1CC[C@H](C(=O)N2CCO[C@@H](c3ccsc3)C2)n2cccc21 329822988 BAPPRXFGZQAPMP-GDBMZVCRSA-N 330.409 2.667 0 50 EFAA C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nnc2n1CCCCC2 154212897 LUPDBVFXDUTGQR-SNVBAGLBSA-N 341.383 2.818 0 50 EFAA CCc1c(C)nc(C)nc1N1CCC(C(=O)N2CCCCC2)CC1 77454790 WJKWVONGNATDAQ-UHFFFAOYSA-N 330.476 2.885 0 50 EFAA CCc1nc2c(N3CCC[C@@H](Cn4ccnc4C)C3)ncnc2o1 77470148 NWZZSDBINXGALS-ZDUSSCGKSA-N 326.404 2.602 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cccc3ccnn23)[C@@H](C)C1 77439933 OWBUSJOSQKFRCG-INIZCTEOSA-N 334.423 2.994 0 50 EFAA O=C(NC[C@@H](O)c1ccc(Cl)s1)c1cc2c(s1)CCOC2 175071949 YYSTUVIIVBAZAX-SECBINFHSA-N 343.857 2.999 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c1 369071263 LYEQOQAZHPOZNL-CYBMUJFWSA-N 326.400 2.723 0 50 EFAA CC1(C)CCN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CCS1 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0 50 EFAA CC(C)n1ccnc1[C@@H]1CCCN(CC(=O)NCc2ccccc2)C1 95500450 OJAPWOTXXIVGGJ-GOSISDBHSA-N 340.471 2.960 0 50 EFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)cc1 95378927 RDEXOEVLSSSUFJ-ZDUSSCGKSA-N 349.337 2.996 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95387636 XTFJVNFVXBBJPG-ZDUSSCGKSA-N 341.440 2.736 0 50 EFAA CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCC[C@H](C)[C@H]2C)cn1 179344350 DEJOANBSSQPMLM-QWHCGFSZSA-N 336.436 2.834 0 50 EFAA COc1ccc2c(c1)c(C(=O)N1CC(C)(C)[C@@](C)(O)C1)c(C)n2C 91562670 HJFLZBGCAKTBHS-IBGZPJMESA-N 330.428 2.728 0 50 EFAA O=C(NC[C@@H](O)c1cccc(O)c1)C1CCN(C2CCCCC2)CC1 95363261 UPLSVQWXSHVUAY-LJQANCHMSA-N 346.471 2.587 0 50 EFAA Cn1c(C(=O)NCCc2nc(C3CC3)no2)cc2cc(F)ccc21 426552313 JINALNIQAFNFTQ-UHFFFAOYSA-N 328.347 2.550 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1 91691333 JSARIVYFNVJBBK-LJQANCHMSA-N 342.487 2.960 0 50 EFAA CC(=O)NCc1ccc(N2CCC[C@](CO)(CC=C(C)C)C2)nc1 91519190 XZFRXGISBVRDNZ-IBGZPJMESA-N 331.460 2.653 0 50 EFAA Cc1ccn2c(C(=O)N3CCC(c4nccn4C)CC3)c(C)nc2c1 91635735 RFOMOBUYOVNKFJ-UHFFFAOYSA-N 337.427 2.704 0 50 EFAA CCN1CCC(CC(=O)NCc2nc(C)cc(C(F)(F)F)n2)CC1 95392156 VNXHYSUCBDPKCK-UHFFFAOYSA-N 344.381 2.542 0 50 EFAA O=C(O)[C@@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1 95363875 VQNNGMOBMJILQD-LJQANCHMSA-N 341.407 2.848 0 50 EFAA CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(N2CCOCC2)ccn1 295808592 BMMXFQCVOIKPNB-LJQANCHMSA-N 331.460 2.959 0 50 EFAA Cn1cc([C@@H]2CN(C(=O)c3ccc(C4CCC4)cc3)C[C@H]2CO)cn1 299749824 LTLNYABKTVWSAW-OALUTQOASA-N 339.439 2.536 0 50 EFAA NC(=O)[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H]1C(F)(F)F 299742917 JKVLKNAPPIEXHH-CCRJBVLDSA-N 340.345 2.602 0 50 EFAA O=C(CC1(n2cccc2)CCCCC1)NCCNc1ncccn1 253410912 NXYHBGHCSLRCEZ-UHFFFAOYSA-N 327.432 2.556 0 50 EFAA O=C(O)c1cncc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1 864128540 KSUQNKKDQUYBJL-KRWDZBQOSA-N 340.379 2.678 0 50 EFAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CC[C@H](Oc2ccccn2)C1 268669242 ATCHOTPQCZQGFO-HOCLYGCPSA-N 344.798 2.718 0 50 EFAA Cc1csc(CCCNC(=O)[C@@H](c2cccnc2)N2CCCC2)n1 299781184 OFCDZCAXWFJLOV-QGZVFWFLSA-N 344.484 2.732 0 50 EFAA C[C@H](Cc1cncs1)NC(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 299759770 PCYUFVGKPGJGFN-BDJLRTHQSA-N 347.415 2.717 0 50 EFAA CCCCn1nccc1NC(=O)NC[C@@H]1COc2ccccc2O1 299769575 QNTCSKGRTVNMHQ-CYBMUJFWSA-N 330.388 2.645 0 50 EFAA Nc1c(Br)cnc(Cl)c1I 725343269 OEISVHUFAXIRCV-UHFFFAOYSA-N 333.354 2.684 0 50 EFAA CC[C@H](C)Cc1nc(-c2ccc(OC)c(N3CCOCC3)c2)n[nH]1 822619975 CAMCTCFUUZYKRV-ZDUSSCGKSA-N 330.432 2.906 0 50 EFAA COc1c(C)cnc(CNC(=O)CCn2cnc3ccccc32)c1C 747771123 SWKDKJYIOWVIEC-UHFFFAOYSA-N 338.411 2.763 0 50 EFAA C[C@@H](Sc1cccc(O)c1)C(=O)N1CC(=O)Nc2ccccc21 185687783 GADUBYJVBCXRNE-LLVKDONJSA-N 328.393 2.858 0 50 EFAA c1ccc2c(c1)ncn2-c1ccc(-c2noc(C[C@H]3CCCN3)n2)cn1 842570514 IIVPZSWYBSZZSF-CQSZACIVSA-N 346.394 2.765 0 50 EFAA Cc1cnc2c(cnn2CC(=O)Nc2ccc(-c3noc(C)n3)cc2)c1 1875345298 VISFTQWAXCVLAE-UHFFFAOYSA-N 348.366 2.737 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1ccnc(OC2CC2)c1 1875330794 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TVICUTUATIPXKP-IBGZPJMESA-N 341.411 2.527 0 50 EFAA Cc1ccc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)nn1 1773664323 RTKVIJGYNLFUSN-UHFFFAOYSA-N 344.440 2.799 0 50 EFAA Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)C2CC2)c(C)c1 170112329 GOZBHYKPPDFADN-ZDUSSCGKSA-N 330.457 2.891 0 50 EFAA Cc1ccc([C@H]2C[C@H](C)N(Cc3nnnn3CC(F)(F)F)C2)cc1 278650402 MMDJTMFCJVEGAI-JSGCOSHPSA-N 339.365 2.922 0 50 EFAA C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O 170621509 MPVSEQLBCTVCCK-JTQLQIEISA-N 332.306 2.717 0 50 EFAA Cn1cccc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280115815 RVHMKTPBPDYARX-ABAIWWIYSA-N 338.329 2.992 0 50 EFAA CC1(C)c2ccccc2CCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 671219353 AUZCYJHQPYTIOD-MRXNPFEDSA-N 347.480 2.521 0 50 EFAA Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 188396445 GYBMUKPSXAKWFE-INIZCTEOSA-N 349.496 2.647 0 50 EFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1n[nH]c2c1CCCC2 188412854 UVPHWEWNARVOQR-AWEZNQCLSA-N 338.455 2.698 0 50 EFAA C[C@@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1ccccc1 675980323 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FPTSTPNGCLTGFL-XJKSGUPXSA-N 336.457 2.702 0 50 EFAA CN(C[C@]1(O)CCCN(CCc2ccccc2)C1=O)C1CCCCC1 15066792 IPQDPQAHXGLQMC-OAQYLSRUSA-N 344.499 2.847 0 50 EFAA Cc1ccc(N2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)cc1C 19214043 MYWIAEAAFGGFSO-IBGZPJMESA-N 334.419 2.994 0 50 EFAA COc1cccc2c1OC[C@@H](NCc1cccn1-c1ccccn1)C2 19792770 XFMAQRPBNSMFNP-INIZCTEOSA-N 335.407 2.974 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1ccc2nsnc2c1 1857676791 SMSAXMYVXAKJQJ-UHFFFAOYSA-N 337.408 2.813 0 50 EFAA COc1cc(C)c(-c2nccn2C[C@@H]2CN(C)CCO2)c(C)c1C 1857697803 NBUIBLKUEJQHBN-INIZCTEOSA-N 329.444 2.815 0 50 EFAA Cc1cc(NC(=O)c2ncccc2Br)nn1[C@H](C)C1CC1 408515359 KPLSFVKXRRORCS-SNVBAGLBSA-N 349.232 3.572 0 50 EFAA O=C(CCC(F)(F)F)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709993355 ZIBXZODKQKFYJY-KBPBESRZSA-N 331.334 2.819 0 50 EFAA COc1ccc(CN(Cc2ccncc2)C(=O)[C@@H]2CC[C@H](N)C2)cc1 247911863 UWHJJTQJJDGRME-MSOLQXFVSA-N 339.439 2.746 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 348253375 DFSKCIRKLVIDAV-BDJLRTHQSA-N 343.333 2.789 0 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O=C(NCc1ccc(-c2nc(-c3cn[nH]c3)no2)cc1)C1CCCC1 896539565 QYSTXJQVMNFDFY-UHFFFAOYSA-N 337.383 2.933 0 50 EFAA C[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 219247 JOSRXIMQTVPDKL-HNNXBMFYSA-N 333.391 2.788 0 50 EFAA CCNC(=O)COc1ccc(Br)cc1Br 408511 AOWQNZIOCXXYKZ-UHFFFAOYSA-N 337.011 2.727 0 50 EFAA COc1ccc(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)cc1Cl 1994274 AHAPNQYMLWVWKD-LLVKDONJSA-N 335.791 2.722 0 50 EFAA CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O 4171886 DUKFHIGXONGPIO-UHFFFAOYSA-N 344.396 2.602 0 50 EFAA CC[C@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@H]1CC(=O)O 4565760 AJGVAXFKPKXRHA-GJZGRUSLSA-N 349.427 2.596 0 50 EFAA Cc1ccc(O)c(NC(=O)c2cnn3cc(Br)cnc23)c1 4811238 GCRYRHLZQLCLMP-UHFFFAOYSA-N 347.172 2.758 0 50 EFAA CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC(C)=O 4813758 HQIMHBOHNOMFTQ-UHFFFAOYSA-N 348.424 2.522 0 50 EFAA CC[C@H](C)NC(=O)CN1C[C@@H](C)Oc2ccc(Br)cc21 225536062 OLCQAHQSKRMPEI-WDEREUQCSA-N 341.249 2.951 0 50 EFAA CCCCc1nc(CN2CCN(Cc3ccccc3CO)CC2)c[nH]1 55061084 XQIWKWFXQIFPDU-UHFFFAOYSA-N 342.487 2.562 0 50 EFAA Cc1ccccc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101436630 OOWLATBGBPVOEG-HUUCEWRRSA-N 326.396 2.665 0 50 EFAA CCn1ncnc1[C@@H]1CC(=O)Nc2cc(NC(=O)C(C)C)c(F)cc21 65426849 DPGFDRCXFSHTJM-LLVKDONJSA-N 345.378 2.506 0 50 EFAA CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1OCCc2ccccc21 136828298 BQQLJEPHAYQDFX-HXUWFJFHSA-N 338.451 2.891 0 50 EFAA CCc1nc(C)sc1CNC(=O)CC(=O)Nc1ccc(C)cc1 65409797 FXQQUSIBYBVDSB-UHFFFAOYSA-N 331.441 2.967 0 50 EFAA O=C(CN1CCN(Cc2ccc(F)cc2)CC1)NC1CCCCCC1 20457834 CNOJUVLFKPKYGC-UHFFFAOYSA-N 347.478 2.782 0 50 EFAA C[C@H](c1ccc(-c2nnnn2-c2ccccc2)cc1)N1CCOCC1 65393383 RAYYSTAVNCAVPX-OAHLLOKOSA-N 335.411 2.723 0 50 EFAA C[C@@H](NC(=O)Nc1cccc2c1OC(C)(C)C2)c1nnnn1C1CC1 252483367 DZSTUWUEMRTVAB-SNVBAGLBSA-N 342.403 2.604 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[S@](C)=O)c1 252509698 YTMLZXGPOVZHRF-OVWNDWIMSA-N 337.894 2.509 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccc(F)cc12 12375153 NFYDTHIGRMTRLP-UHFFFAOYSA-N 340.310 2.900 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C)c1ccccc1F 252670449 KPZVAYXFTOMPBP-WOSRLPQWSA-N 328.453 2.536 0 50 EFAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)Cc3ccoc3)CC2)cn1 328623245 BTJGOYPHWOVBRT-MRXNPFEDSA-N 342.443 2.776 0 50 EFAA CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cnc([C@H](C)O)s2)c1 253405674 OOPXVHQZGBJRJC-ZJUUUORDSA-N 333.413 2.646 0 50 EFAA O=C(N[C@H](c1nccs1)C(F)(F)F)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 331763640 CRSSUKLTEGUQMC-ZRUFSTJUSA-N 349.378 2.549 0 50 EFAA CCCn1ccnc1CNc1nc(-c2ccncc2)nc2c1cnn2C 72140423 RIOVTEONDOPGKO-UHFFFAOYSA-N 348.414 2.644 0 50 EFAA CCN1C[C@@]2(CCCN(Cc3cn4cccc(C)c4n3)C2)CCC1=O 72408364 JWPXUBBHTXPFAY-FQEVSTJZSA-N 340.471 2.867 0 50 EFAA CCOC(=O)[C@H]1CCCN1C(=O)c1ccn(Cc2ccccc2)c1 362021564 DVHJSIXIUHOAAI-QGZVFWFLSA-N 326.396 2.704 0 50 EFAA Cc1nccc(CNC(=O)N2CCC[C@H]2COc2ccc(F)cc2)n1 366973930 CUMLSGMPRSQTEX-INIZCTEOSA-N 344.390 2.677 0 50 EFAA Cc1cc(C=C2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CC2)no1 370233168 MTLAPHZQQOUCQN-AWEZNQCLSA-N 342.399 2.530 0 50 EFAA CCOc1ccc(-c2ccnc(NCC(C)(C)CO)n2)cc1C(=O)O 72477786 FHUOVSBRUWXJCY-UHFFFAOYSA-N 345.399 2.671 0 50 EFAA O=C(O)C1(n2cnc3ccccc32)CCN(Cc2ccco2)CC1 72421941 MLYCKTTYPUBBKW-UHFFFAOYSA-N 325.368 2.705 0 50 EFAA CC(=O)N1C[C@H](CCC(=O)NCc2cccn2C)c2ccccc21 372062047 CUOQQZAXPFWTCD-HNNXBMFYSA-N 325.412 2.572 0 50 EFAA CCn1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c2ccccc21 262145938 OAORDSMHNZAOGM-OAHLLOKOSA-N 326.396 2.988 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1ccoc1)CC2)[C@@H]1CCCO1 14976194 VFFPOVXFMUUNGA-SFHVURJKSA-N 326.396 2.955 0 50 EFAA c1cc(-c2nnc(NCCc3csc(N4CCCC4)n3)s2)no1 239782518 COXGQQRTXKRBHY-UHFFFAOYSA-N 348.457 2.904 0 50 EFAA CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 241588024 OYZUHATYLVQHSX-CQSZACIVSA-N 338.455 2.792 0 50 EFAA Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)nn1C 263174743 ZBYKFLQINFOBBA-UHFFFAOYSA-N 341.411 2.522 0 50 EFAA Cc1ccc(-n2nc(C(=O)N3CCC(CC(=O)O)CC3)cc2C)cc1 263276714 QSJJRSNPRWQUAP-UHFFFAOYSA-N 341.411 2.816 0 50 EFAA O=C(NCCCN1CCOCC1)c1cccc(Oc2ccccc2)c1 20530035 NEYVMFGPEITBKN-UHFFFAOYSA-N 340.423 2.931 0 50 EFAA O=C(NCc1ncc[nH]1)N1CCC[C@H](COc2ccccc2F)C1 426428393 SGUBJBSDZATCQT-ZDUSSCGKSA-N 332.379 2.549 0 50 EFAA O=C(NCCCn1ccnn1)Nc1cc(F)cc(C(F)(F)F)c1 95512818 DANFUXDRCJGZFM-UHFFFAOYSA-N 331.273 2.648 0 50 EFAA CN1O[C@H](c2ccccn2)C[C@@H]1[C@H]1C[C@H](c2ccccn2)ON1C 238950286 XMGVSBZNCGEFPA-TVFCKZIOSA-N 326.400 2.530 0 50 EFAA CC[C@H]1CN(C(=O)Cc2c(C)nc3ccccn23)CCN1C(C)C 91657377 PFWAZSZDIZRROD-INIZCTEOSA-N 328.460 2.516 0 50 EFAA COc1cccc(Cn2ncnc2CCN2Cc3ccccc3C2=O)c1 92065842 IXUKVOWXYWWSOI-UHFFFAOYSA-N 348.406 2.534 0 50 EFAA CCc1nc(C)ccc1OCC(=O)NC[C@@H]1COc2ccccc2C1 95506198 GPMUNBWYQJVOTA-OAHLLOKOSA-N 340.423 2.699 0 50 EFAA Cc1ccccc1[C@H](C(=O)N(C)Cc1c(C)nn(C)c1C)N(C)C 95375959 HHOBJUBJXBUCDR-GOSISDBHSA-N 328.460 2.607 0 50 EFAA O=C(NC1CC1)c1ccnc(C[C@H]2CC(=O)N(c3ccccc3)C2)c1 252482660 DLUDITYQTFEKCL-AWEZNQCLSA-N 335.407 2.569 0 50 EFAA C[C@H]1CN(C(=O)NCCc2csc(C(C)(C)C)n2)[C@H](C)CO1 183416633 UJTZIDPANOGVAZ-NEPJUHHUSA-N 325.478 2.802 0 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CCn1cccc1C(=O)NC[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@H](F)C2)C1 1875406298 AZVNMUCOHIWNBU-UGUYLWEFSA-N 349.450 2.661 0 50 EFAA O=C(Cc1ccc2ncsc2c1)N1CCC(NC2CCC2)CC1 1875271858 UNVBSCDOHAKYON-UHFFFAOYSA-N 329.469 2.972 0 50 EFAA O=C(Nc1cccc2c1OCCO2)N1CCN[C@H](c2ccccc2)C1 1875279057 FCZRDTNMLJZJKM-INIZCTEOSA-N 339.395 2.636 0 50 EFAA CN(CC1(O)CC1)C(=O)Nc1nc(COc2ccccc2)cs1 1875277455 MLJVHHGAJQVVIB-UHFFFAOYSA-N 333.413 2.711 0 50 EFAA O=C(Nc1cccc(Cn2cccnc2=O)c1)N1C[C@H]2CCC[C@H]1C2 1875271340 OQJOZGFNRISJQB-RDJZCZTQSA-N 338.411 2.698 0 50 EFAA Cn1c(NS(=O)(=O)c2cccc(C3CC3)c2)nc2c1CCCC2 1875281220 WGYUFCFWINXPDK-UHFFFAOYSA-N 331.441 2.977 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cc(F)cc(-c3cccnc3)c2)cn1 1875381071 JKUYXZKXZDYWKG-MHECFPHRSA-N 338.386 2.884 0 50 EFAA COCCCC1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875394925 BLFSWFMQSOWABY-QWHCGFSZSA-N 335.448 2.711 0 50 EFAA Cc1oc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)cc1CO 885662153 OWPXKBJVVWOUSU-CQSZACIVSA-N 331.368 2.927 0 50 EFAA Cc1ccccc1NCCC(=O)N1CCOC[C@@H]1CC1CCOCC1 890799064 QRBZNBVPRJYRRW-SFHVURJKSA-N 346.471 2.841 0 50 EFAA CC(C)(C)c1coc(CNC2(C(=O)N3CCOCC3)CCCCC2)n1 897893778 ZRICTJXQHBVIDI-UHFFFAOYSA-N 349.475 2.623 0 50 EFAA Cc1cc(C)n2nc(C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)nc2n1 276342656 MQHHBNXNISILFQ-SNVBAGLBSA-N 341.337 2.544 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 277040797 PCHGIKGTYPPKKY-VIHIWDAPSA-N 332.444 2.533 0 50 EFAA CCc1csc(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)n1 170654561 SIKMXAPTRMIIKO-IDFMNXDXSA-N 329.491 2.907 0 50 EFAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl 281715903 GCKUBDURGZXZPT-RNCFNFMXSA-N 329.227 2.709 0 50 EFAA COCCc1ccccc1NC(=O)N1CCO[C@H](c2nccs2)C1 189439964 OMPYXEBDLNRALM-HNNXBMFYSA-N 347.440 2.937 0 50 EFAA O=C1C[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)Oc2ccccc21 412672034 LMKYRNGFWRYAIZ-IBGZPJMESA-N 341.338 2.781 0 50 EFAA CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cncc(Cl)n1 192356980 MVWBUYFHMBEEIF-UHFFFAOYSA-N 346.818 2.848 0 50 EFAA COc1cccc2[nH]cc(CCNC(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)c12 195573899 NIPHURREBCJPFI-YSVLISHTSA-N 343.427 2.586 0 50 EFAA O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1CCC1OCCO1 195565964 FACFJIYHIULGGM-OAHLLOKOSA-N 340.370 2.521 0 50 EFAA Cc1nc([C@H]2CN(c3ncnc4ccc(C(C)C)cc34)CCO2)n[nH]1 663699956 MGFYRWIEVLMSCW-MRXNPFEDSA-N 338.415 2.758 0 50 EFAA Cc1ncc(CN(CCN(C)C)C(=O)C[C@@H]2CCc3ccccc32)[nH]1 1704335735 DVSIXNBAOZDIEY-KRWDZBQOSA-N 340.471 2.728 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3nn(C)c4ccccc34)C[C@@H]21 1704338703 XPGBQKLFZRPFNM-FRIZHTMISA-N 327.428 2.587 0 50 EFAA COc1ccc(Oc2ccc(C(=O)N3C[C@H](O)[C@@H](F)C3)cc2)cc1 1615748498 BCGGWVGKJQUXEU-IRXDYDNUSA-N 331.343 2.642 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H]2CCCN2C(=O)[C@@H]1C 1772819521 NNQMENADPXLEPU-WMZOPIPTSA-N 338.455 2.684 0 50 EFAA O=C(c1coc(COc2cccc3cccnc23)n1)N1CCCCO1 12718392 YVRYXFWBOWJXHP-UHFFFAOYSA-N 339.351 2.969 0 50 EFAA COC[C@H]1CCCCN1C(=O)c1coc(COc2ccccc2)n1 15077505 UPVCNGTTWBODLS-CQSZACIVSA-N 330.384 2.895 0 50 EFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)c1 16651839 HJOWDAJAUGYSDT-UHFFFAOYSA-N 349.394 2.921 0 50 EFAA Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 19853577 KAVLXDGOOGZOKY-UHFFFAOYSA-N 344.480 2.643 0 50 EFAA O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1cccc2[nH]ccc12 169772704 OLUFPNUVUCUTSO-UHFFFAOYSA-N 336.395 2.632 0 50 EFAA Cc1cc2c(cc1-c1nccn1[C@H]1COC3(CCNCC3)C1)OCO2 1857668421 XMCKNHPAXYUHOD-CQSZACIVSA-N 341.411 2.671 0 50 EFAA COCCc1nc(Cn2ccnc2-c2cccc3cnccc23)no1 1857694115 BGSZUKLXZSDGNV-UHFFFAOYSA-N 335.367 2.719 0 50 EFAA Cc1ncnc(C)c1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857706456 SZZBEDLHQXZTRT-UHFFFAOYSA-N 347.422 2.725 0 50 EFAA Clc1ccc([C@H]2CN3C[C@H](Nc4ccncn4)C[C@H]3CO2)cc1 1857725879 QWGCCSXKIYVKBN-OWCLPIDISA-N 330.819 2.756 0 50 EFAA Cc1cncn1C1CCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1 225400218 DOZVXJAXEGPFCH-UHFFFAOYSA-N 329.448 2.929 0 50 EFAA COC1([C@H](C)NC(=O)Cc2c[nH]c3cc(F)ccc23)CCOCC1 421760106 OVWGFLCUZHLVJV-LBPRGKRZSA-N 334.391 2.550 0 50 EFAA 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MRLSTCSJODMZQG-DUXPYHPUSA-N 335.375 2.711 0 50 EFAA O=C(O)C1CCC(NC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 238013261 RYKYBZWNPMWBIS-DAWZGUTISA-N 344.455 2.801 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccc(F)cc1 92098336 BWTHUCPICOJHHP-NWDGAFQWSA-N 333.281 2.795 0 50 EFAA C[C@@H]1SCCN(C(=O)c2csc(CN)n2)[C@H]1c1ccccc1 237387085 TYPOZQJWKULKGV-XHDPSFHLSA-N 333.482 2.921 0 50 EFAA CCCn1ncc(C(=O)N2CCC(OCc3ccccn3)CC2)c1C 91625060 JLDVHBFWRNIXOA-UHFFFAOYSA-N 342.443 2.818 0 50 EFAA CC(C)n1cc(C(=O)N2CCc3ccccc3[C@H]2CC(=O)O)cn1 95526539 CYPUPHMORNBKCS-MRXNPFEDSA-N 327.384 2.678 0 50 EFAA Nc1nc(NCCCn2ccc3ccccc32)cc([C@H]2C[C@@H](O)C2)n1 244884345 YKQXGRHKAOTGDH-GASCZTMLSA-N 337.427 2.754 0 50 EFAA C[C@H](CC(=O)N1CC[C@H](CN)C1)c1ccccc1Br 299739306 NEASLVAJUQKTJK-VXGBXAGGSA-N 325.250 2.750 0 50 EFAA CNC[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Br)C1 299739836 RVGUEADXMZTJKZ-SNVBAGLBSA-N 345.668 2.713 0 50 EFAA CCCCS[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1-n1ccnc1 863947022 IRKMMBJKXVRQTC-GFCCVEGCSA-N 346.456 2.832 0 50 EFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]5[C@@H]6[C@H](CC[C@@H]6[C@@]1(O)[C@]54C)[C@H]32 253595943 LHSMBRLTQUGMJF-AEGZSPFQSA-N 340.463 2.721 0 50 EFAA CN1Cc2ccccc2C[C@@H]1c1nc(-c2ccccc2)nn1CCO 828776910 LQPZTKLQYKKMLA-GOSISDBHSA-N 334.423 2.667 0 50 EFAA Cc1ccc2ncn(C[C@H]3CC(=O)N(c4ccccc4)C3)c(=O)c2c1 584898226 KFOVYMFMWKDWTF-OAHLLOKOSA-N 333.391 2.758 0 50 EFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(C(F)(F)F)nc2)C1 393351876 PFBYQUHHNITTSC-SCZZXKLOSA-N 341.255 2.595 0 50 EFAA CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](CO)c2c(F)cccc2F)CCO1 273044020 DEKFKUJCENPUJN-MAZHCROVSA-N 341.398 2.956 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3ccncc3[C@H]2C)cc1 1875373585 GVXCTVFJSVQMRO-CQSZACIVSA-N 335.407 2.990 0 50 EFAA CC[C@@H](C)c1ccc(C(=O)NCc2c(C)cc(=N)[nH]c2C)c(O)n1 1875331333 FPMQJOKZVTXNFX-SNVBAGLBSA-N 328.416 2.655 0 50 EFAA c1cnc(-c2cc(Nc3ccc(O[C@H]4CCOC4)cc3)ncn2)nc1 1875332017 KEGQZCXCPGQUSR-HNNXBMFYSA-N 335.367 2.845 0 50 EFAA Cc1cccc2nc(N3CCC(C[C@H]4OCC[C@H]4C(N)=O)CC3)oc12 952890005 KWMBLOJUPAOOPZ-GDBMZVCRSA-N 343.427 2.633 0 50 EFAA CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 1875270366 UOQNIQXLOYTTSQ-HNNXBMFYSA-N 337.420 2.526 0 50 EFAA Cc1ccc([C@H]2[C@H](C)CN2C(=O)c2cccc(-n3cncn3)n2)cc1 1875278616 PSJJATKNPNRLAP-RDTXWAMCSA-N 333.395 2.804 0 50 EFAA OC[C@H]1CCCN(CCNCc2cccc(OC3CCCC3)c2)C1 952963974 LVPKQJBLNSUDOV-SFHVURJKSA-N 332.488 2.802 0 50 EFAA CC(C)C[C@@H](C(=O)N1CCC(CO)(C(F)(F)F)CC1)n1ccnc1 885008139 SQAQRHJARXDQFI-ZDUSSCGKSA-N 347.381 2.634 0 50 EFAA CCc1nc(-c2nnc([C@@H]3CCCO[C@H]3c3ccnn3C)o2)co1 886095228 OKXRVZZFENUGHJ-QMTHXVAHSA-N 329.360 2.656 0 50 EFAA C[C@@H](NC(=O)Cc1cnn2c1CCCC2)c1ccc2c(c1)CCO2 887327210 ADMKOWYIUIBHFC-CYBMUJFWSA-N 325.412 2.574 0 50 EFAA CN(Cc1ccns1)C(=O)c1ccc2nc(O)n(C3CC3)c2c1 898619072 SYPKOWYBQRLHHI-UHFFFAOYSA-N 328.397 2.806 0 50 EFAA O=C(Nc1ccc(CN2CCOC2=O)cc1)C1Cc2ccccc2C1 277198026 IWRNBYBEMXPESC-UHFFFAOYSA-N 336.391 2.992 0 50 EFAA Cc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1Cl 170091127 QMFPIQUOQNBHOC-QWHCGFSZSA-N 325.840 2.567 0 50 EFAA CCOC(=O)N1CC[C@@H](NC(=O)CCCSc2ccccc2)C1 170597994 UJEJDIILHQMSFM-CQSZACIVSA-N 336.457 2.906 0 50 EFAA Cc1ccc2c(CCNC(=O)[C@@H](C)OC[C@@H]3CCCO3)cn(C)c2c1 170602634 UUEPGRODDKVQOM-WBVHZDCISA-N 344.455 2.730 0 50 EFAA COC[C@H]1[C@H](NC(=O)c2c(F)ccc(C)c2Cl)[C@H]2CCO[C@H]21 1074619789 OAYIHAQTPYQOEU-ANGCBRKESA-N 327.783 2.567 0 50 EFAA CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(Cl)c2)C1 188678047 BNAGEPVTRVSAFN-OAHLLOKOSA-N 331.865 2.822 0 50 EFAA CC(=O)c1csc(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 189297803 GNRMKMKELHZCMX-UHFFFAOYSA-N 338.392 2.751 0 50 EFAA Cc1csc2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)ncnc12 189974071 TXXZHESCIVZZJC-CYBMUJFWSA-N 330.457 2.742 0 50 EFAA CN1[C@H]2CC[C@H]1CN(c1ccnc(Cc3ccc(F)cc3)n1)CC2 647870566 XUQYQSPGFNMHPT-IRXDYDNUSA-N 326.419 2.879 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCO[C@H](c2ccc(F)cc2)C1 194091397 PFCKWNGBLDUAME-SFHVURJKSA-N 339.370 2.776 0 50 EFAA Cn1ccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 212647722 NXCULNLRECYVST-MJGOQNOKSA-N 335.407 2.564 0 50 EFAA NC[C@@H]1CCCN1C(=O)CCc1cc(Cl)ccc1Br 237944186 FNGHZUKWHLJIDW-LBPRGKRZSA-N 345.668 2.985 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CCOC[C@H](C(=O)O)C2)cc1 1772804194 JAANHIDCDTZDSG-MRXNPFEDSA-N 347.455 2.980 0 50 EFAA Cc1cc(C)cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 11878458 UCQIYTGSRVNIFX-GOSISDBHSA-N 340.398 2.973 0 50 EFAA COc1nc2ccccc2nc1CCC(=O)N1Cc2cnc(C)cc2C1 1857671565 IGVYEDCHFDCTHB-UHFFFAOYSA-N 348.406 2.817 0 50 EFAA CN(CCn1ccc2ccccc21)[C@H]1CCOC2(CCNCC2)C1 1857679308 SXTGXXCEEULQIH-SFHVURJKSA-N 327.472 2.874 0 50 EFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1onc2ncccc12 1857688524 OCZWZBLNYIYNEO-GFCCVEGCSA-N 340.358 2.618 0 50 EFAA CCc1ccc(-c2nccn2C[C@@H]2CC3(CCNCC3)CO2)nc1 1857732096 BPPVTJYXLSYXPQ-INIZCTEOSA-N 326.444 2.666 0 50 EFAA C[C@@H](Cc1cccs1)NC(=O)N1CCC(O)(C(F)(F)F)CC1 305782041 VDLIOASXXCXZJT-JTQLQIEISA-N 336.379 2.778 0 50 EFAA C[C@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)O 221914092 SIHHETXZQPPSOG-SCVCMEIPSA-N 333.306 2.532 0 50 EFAA CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)[nH]1 225415070 XUMAQQTWWPIAFW-NXEZZACHSA-N 328.376 2.792 0 50 EFAA C[C@]1(CNC(=O)NC[C@H]2CC[C@@H](O)C2)CCCN1Cc1ccccc1 225411454 DIYSTTZUZVZMFR-NLWGTHIKSA-N 345.487 2.501 0 50 EFAA CSc1cccc(F)c1C(=O)NCCCCn1ccccc1=O 225605712 ZEVLHZOMGVCNCW-UHFFFAOYSA-N 334.416 2.920 0 50 EFAA CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 126288931 YVLQGKVLXYQXFR-IAGOWNOFSA-N 329.444 2.784 0 50 EFAA COc1ccc([C@H]2CCCN2Cc2nc(C(=O)O)co2)c(OC)c1 652380889 QBQWROZYSUUJMZ-CQSZACIVSA-N 332.356 2.727 0 50 EFAA CS(=O)(=O)c1cccc(Br)c1N[C@H]1C[C@H]2CC[C@H]1O2 252491493 LNKPZMXVKHWXHI-DVVUODLYSA-N 346.246 2.584 0 50 EFAA COc1ccc2cc(C(=O)N3CC[C@H](C)[S@](=O)CC3)c(C)nc2c1 252487926 IEYULPMFFVPJBL-FNODVLLQSA-N 346.452 2.535 0 50 EFAA O=S1(=O)CC[C@H](NCCC[C@H]2CCCC[C@H]2O)c2ccccc21 253370514 RWPMSARSHJBIGH-HYVNUMGLSA-N 337.485 2.826 0 50 EFAA O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@@H](C2CC2)C1 368675170 HAEUTAUKRUVXQQ-OAHLLOKOSA-N 327.380 2.820 0 50 EFAA COc1nn(C)cc1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 931052419 BYLUZWLKYQFLJM-HOMQSWHASA-N 336.342 2.775 0 50 EFAA CCOc1ncnc2c1CN(C(=O)C[C@@H]1CCCC1(F)F)CC2 934361748 HVOXNIYZFNZDLL-NSHDSACASA-N 325.359 2.586 0 50 EFAA COc1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)cc1 99867 DIYLLPPXPJCVLY-UHFFFAOYSA-N 339.347 2.740 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)Nc2ccccc2Cl)CC[C@H]1O 2100477650 FJKOKKWQJCETDD-CZUORRHYSA-N 340.807 2.810 0 50 EFAA Cc1cnc([C@H](C)N2CC[C@@H](NC(=O)c3ncccc3C)[C@@H](C)C2)o1 2325838987 FNRHYBOXYCRVHT-CWRNSKLLSA-N 342.443 2.888 0 50 EFAA O=C(O)c1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 77047 KBFPUUYIBBJCDE-AWEZNQCLSA-N 344.754 2.782 0 50 EFAA COC(=O)COc1ccc(NC(=O)CSc2ccccc2)cc1 467847 AMHHZOVZRWGLEF-UHFFFAOYSA-N 331.393 2.969 0 50 EFAA OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCCC2)n1 2846921 WBLINVYCCGOQID-UHFFFAOYSA-N 348.838 2.663 0 50 EFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cc(-n2cccn2)ccc1Cl 2356163348 YWIGLTIIJAZNPB-HAQNSBGRSA-N 347.802 2.899 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)NC(=S)Nc1ccc(C(=O)O)cc1 4773152 JJXQLBJPYWJZQB-NSHDSACASA-N 344.392 2.665 0 50 EFAA COCc1csc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 225563695 CEUVVSYIXFKPJN-LSDHHAIUSA-N 346.456 2.856 0 50 EFAA CCCc1cc(C(=O)N2CCC(n3nnc4ccccc43)CC2)[nH]n1 55167196 QWUKZJVGQYQEAD-UHFFFAOYSA-N 338.415 2.584 0 50 EFAA CCCn1c(=O)c(C(=O)Nc2ccccc2N)c(O)c2ccccc21 100498573 OAEMXEVJLKVPSS-UHFFFAOYSA-N 337.379 2.952 0 50 EFAA C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc(C2CCC2)cc1=O 134443600 MOIJQVRZYMCIRC-CQSZACIVSA-N 337.423 2.879 0 50 EFAA Fc1ccc(-c2cn(C[C@H]3CCCN(Cc4ncc[nH]4)C3)nn2)cc1 20820248 ZVGWWJHDBZTMIZ-AWEZNQCLSA-N 340.406 2.720 0 50 EFAA COc1nc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc2ccccc12 115436578 CRQRJPAXMMOZPV-CQSZACIVSA-N 327.428 2.657 0 50 EFAA CCCc1cc(C(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)ccn1 102599674 AZDNUNFDHLUHLM-KYJSFNMBSA-N 341.455 2.507 0 50 EFAA O=C(Nc1cnn(CC(F)F)c1)c1cccnc1N1CCCCC1 116844524 TVUPGRQINOJEDG-UHFFFAOYSA-N 335.358 2.786 0 50 EFAA Cc1ncc(CN2CC[C@H](CNC(=O)CC3=CCCCC3)C2)cn1 67434666 JKVYOWGMUVUBDR-QGZVFWFLSA-N 328.460 2.614 0 50 EFAA CCc1nc(C)ccc1OCC(=O)N1CCCC2(CCNCC2)CC1 67947668 XYQMMVUOPQXDAV-UHFFFAOYSA-N 345.487 2.714 0 50 EFAA O=C1O[C@@H]2CN(C/C=C/c3ccccc3)C[C@@H]2N1Cc1ccccn1 20601572 WMXDLAZQHXUPBA-YLXGYYMFSA-N 335.407 2.800 0 50 EFAA O=C(Cc1ccc2[nH]ncc2c1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282589980 PYKXRZODSNLWIO-FUHWJXTLSA-N 339.370 2.579 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2cccc(F)c2)c1 282569861 RVAMISXTTQDEPT-WMZOPIPTSA-N 329.371 2.711 0 50 EFAA Cc1ccc(OCc2occc2C(=O)NC[C@H]2CCN(C)C2)cc1 67974852 LGHQQVHXRRYOGS-OAHLLOKOSA-N 328.412 2.849 0 50 EFAA COCc1cc(C)nc2sc3c(=O)n(-c4ccccc4)nnc3c12 54442 BBGAJRYMBBPQAX-UHFFFAOYSA-N 338.392 2.845 0 50 EFAA Cc1cccc(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1 2800726 FHFIYPCDNIDVHP-UHFFFAOYSA-N 338.367 2.504 0 50 EFAA Cc1ccc(-c2ccnc(N(C)CCN3CCCCC3=O)n2)c(C)n1 71746142 GTVXZFSHYDYGNE-UHFFFAOYSA-N 339.443 2.604 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc4c(s3)CCCC4)CCO2)o1 328614040 VASJGEFIEPOKKU-GFCCVEGCSA-N 333.413 2.532 0 50 EFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 328628883 HSKQLCLIPXVZOZ-IAGOWNOFSA-N 346.475 2.937 0 50 EFAA O=C(O)c1ccccc1CN1CCC[C@@H](OCc2ccccn2)C1 215223635 QMWUHJBONUHHBB-QGZVFWFLSA-N 326.396 2.961 0 50 EFAA O=C(CSc1cccc[n+]1[O-])NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 123087998 DHSPFOASQBDPIJ-MDZRGWNJSA-N 340.448 2.504 0 50 EFAA CCOCc1nc2c(c(N[C@H](C)Cc3ccsc3)n1)CCNCC2 72432180 STJZQGXTYBRRFH-CYBMUJFWSA-N 346.500 2.806 0 50 EFAA C[C@H](c1nncn1C)n1ccnc1-c1ccc(Oc2ncccn2)cc1 72157556 PNSIUFXZFILQNP-CYBMUJFWSA-N 347.382 2.870 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c1 72425418 AVZDCXMKQAUQBU-SFHVURJKSA-N 345.414 2.993 0 50 EFAA NC(=O)c1ccc(C(=O)NCc2ccccc2OCC2CC2)s1 155824790 BSDVQDHIDYYICF-UHFFFAOYSA-N 330.409 2.566 0 50 EFAA Cc1cc(C(F)(F)F)nc(=NCc2cc3ccccc3n(C)c2=O)[nH]1 488691599 HJECVWSGMFLWEF-UHFFFAOYSA-N 348.328 2.690 0 50 EFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC[C@@H]1c1ccccn1 215146326 GVLTULRAJIYVOQ-GOSISDBHSA-N 348.406 2.928 0 50 EFAA COCCCN1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 72163857 PVCYRPZXTUODAZ-VAMGGRTRSA-N 330.472 2.594 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@]2(C1)OCc1ccccc12 368714762 KCEIQGSRJIIOQK-LJQANCHMSA-N 325.412 2.617 0 50 EFAA CC(C)c1occc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 332183883 ZRFDMALMZFGRFG-UHFFFAOYSA-N 328.416 2.802 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC4(CCOCC4)[C@@H]3C)cc2n1C 373051916 NQAIHCCLLFZWIZ-ZDUSSCGKSA-N 327.428 2.913 0 50 EFAA CN1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 216510603 LSHIYKAOYGTLHI-GOSISDBHSA-N 349.906 2.859 0 50 EFAA O=C1CCC[C@H](CC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)N1 332908682 WWIZYNRVYLGFIR-MLGOLLRUSA-N 340.345 2.565 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 374330469 NWWQSRNUWFBHCL-OAHLLOKOSA-N 349.394 2.632 0 50 EFAA Cc1cc(CN(C)C2CC(C)(C)NC(C)(C)C2)c(C)n1-n1cnnc1 71759293 ZFSDQXZKUMMDGU-UHFFFAOYSA-N 344.507 2.749 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)c3cccc(O)n3)CC2)c1 374563646 UUGQHGVWFOBFJV-UHFFFAOYSA-N 329.375 2.634 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CC(Oc3cccnc3)C2)cc1 72410045 YBNAHHNPDMKDSN-UHFFFAOYSA-N 340.423 2.689 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)Cc3cc(C)no3)CC2)OC1=O 77486977 OASYPXJOIPJARX-AWEZNQCLSA-N 349.431 2.528 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333889204 YKFZWHNSKUCDEX-SJORKVTESA-N 339.439 2.913 0 50 EFAA O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc(C2CC2)on1 241720827 QSOCNCTYHNLSLY-AWEZNQCLSA-N 331.416 2.606 0 50 EFAA CNc1ccnc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77406145 ZHNZKCOYOMCPRQ-IBGZPJMESA-N 343.475 2.670 0 50 EFAA CCc1noc2ncc(C(=O)N3CCN(C)CC34CCCCC4)cc12 176245721 FDIWAASLZLHSHV-UHFFFAOYSA-N 342.443 2.876 0 50 EFAA CCc1cc(C)c(C(=O)N[C@H](C(=O)O)c2ccc(OC)cc2OC)o1 455884009 AMMSBFHAFNMWER-HNNXBMFYSA-N 347.367 2.723 0 50 EFAA C[C@H](CN(C)C)C(=O)NCc1cccnc1Oc1ccccc1F 71315133 WDQLWDJDMWKCHR-CYBMUJFWSA-N 331.391 2.827 0 50 EFAA Cc1nc(NC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)nn1C 48135096 PSTLIVHEIHRQSS-CQSZACIVSA-N 331.395 2.749 0 50 EFAA CCc1ccc(CNC(=O)C2(c3ccccc3)CCN(C)CC2)nc1 221426573 CAWQMGCDSUSJPO-UHFFFAOYSA-N 337.467 2.924 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)COC[C@@H]2CCCCO2)CC1 82136898 OGTBNTISDOKFJQ-SFHVURJKSA-N 346.471 2.619 0 50 EFAA C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2nccs2)C1 222209978 WRUCIRPSHGTPPJ-SMDDNHRTSA-N 342.424 2.514 0 50 EFAA O=C(NCc1csc(N2CCCC2)n1)c1nc2ccccc2[nH]1 426646991 GDHLTZKRWRVJGU-UHFFFAOYSA-N 327.413 2.550 0 50 EFAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1csc(-c2cccs2)n1 82126588 YWRBJSRFIIGMGG-JTQLQIEISA-N 330.438 2.882 0 50 EFAA CN(Cc1cccnc1)C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 426584565 CBJSTXRAEGFOJE-UHFFFAOYSA-N 338.411 2.567 0 50 EFAA COc1ccccc1CN(CCO)C(=O)Nc1ccc2c(c1)COC2 92163244 SBYFZNIUOQFUGN-UHFFFAOYSA-N 342.395 2.752 0 50 EFAA CCn1cc(NC(=O)NCCCSc2nnc(C)s2)c(C)n1 96131731 KVNCKNSFXOWVOP-UHFFFAOYSA-N 340.478 2.675 0 50 EFAA CCCO[C@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 91656801 JNGKWLKICQLGAM-HNNXBMFYSA-N 329.400 2.814 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ocnc1-c1ccccc1 295176467 SHEXAKJBSYQHGH-ZDUSSCGKSA-N 337.383 2.760 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)c2cnc(Nc3ccccc3)nc2)[nH]n1 95382824 ZVOHSJFYGBNWLJ-GFCCVEGCSA-N 336.399 2.613 0 50 EFAA CN(CCNC(=O)[C@@H](c1ccccc1F)N(C)C)c1ccccc1 91288881 YPSNAHUHLVNLLG-GOSISDBHSA-N 329.419 2.681 0 50 EFAA Cc1nc(CC2CCN(c3nccc(-c4cccnc4)n3)CC2)no1 97546482 PXFNUDZLDWLFNU-UHFFFAOYSA-N 336.399 2.689 0 50 EFAA Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91587487 UONFYFXBXIMNHF-QFBILLFUSA-N 340.467 2.787 0 50 EFAA Cc1cc(C)n([C@H]2CCN(c3nc4c(cc3C(=O)O)CCC4)C2)n1 96141873 XLYXASAEMKNFJB-AWEZNQCLSA-N 326.400 2.533 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)s1 296139097 PJZVJRTXRHRWEQ-HNNXBMFYSA-N 345.468 2.826 0 50 EFAA CCn1cc(C(=O)C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1 297760561 PAHIVFCBVYTJHJ-UHFFFAOYSA-N 335.766 2.858 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2c(O)n1 299752857 VTTRSPAGBUSSEW-KRWDZBQOSA-N 348.358 2.592 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]([C@@H](C)N)C1 299739569 QFJKJXRHMFFAGF-GDBMZVCRSA-N 325.456 2.980 0 50 EFAA Cc1ccccc1[C@H](CNC(=O)N(C)CC1CCOCC1)N(C)C 534632396 AEIDRGLCAJIGOQ-SFHVURJKSA-N 333.476 2.666 0 50 EFAA COc1ccc2c(c1)O[C@@H](C)CN(C(=O)CSc1ccccn1)C2 299787743 XTXIAAGPDNSQDK-ZDUSSCGKSA-N 344.436 2.992 0 50 EFAA Cc1ccc2oc(=O)n(CCC(=O)N(C)C3CCSCC3)c2c1 299790509 CCKWPRIDEUHDDR-UHFFFAOYSA-N 334.441 2.647 0 50 EFAA CCO[C@H](C)CNC(=O)N(CC)CCc1nc2ccc(F)cc2[nH]1 823288973 AVKBSIXUJUOVLK-GFCCVEGCSA-N 336.411 2.701 0 50 EFAA CN(CCCOc1ccc(Cl)cc1)CC[C@@H]1CCS(=O)(=O)C1 677677633 BOOCLXZUFIYXQZ-CQSZACIVSA-N 345.892 2.866 0 50 EFAA COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c1C 164357670 JQDZXKNHZHWLPP-CZUORRHYSA-N 336.432 2.599 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ccc(F)cc3F)n[nH]c21 1875288770 CGKDCCRZQDAWIJ-ZJUUUORDSA-N 335.354 2.683 0 50 EFAA Cc1ccc(-n2cnc3c2CCN(c2ncc4c(n2)CCOC4)C3)cc1 1875286674 AITVRESBGALIAY-UHFFFAOYSA-N 347.422 2.606 0 50 EFAA C[C@H](C(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccc(C(F)(F)F)cc1 1875313840 YUIWURUUXDYVQM-XPTSAGLGSA-N 339.317 2.608 0 50 EFAA Cc1cc(CN(C=O)Cc2cc(Br)cs2)n(C)n1 1875325342 MAQSHARRVBCOHP-UHFFFAOYSA-N 328.235 2.711 0 50 EFAA CC1(C)CN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)[C@H]1O 1875396857 GIMYLZADNNXPLI-PMPSAXMXSA-N 332.444 2.708 0 50 EFAA CCO[C@@H]1C[C@H](n2nnnc2N2CC[C@@H](SC)C2)C12CCCC2 952878907 KGYZMUDBOHKKIR-HZSPNIEDSA-N 337.493 2.525 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 1137723526 XAXHDLRIOKTZDA-UHFFFAOYSA-N 341.455 2.902 0 50 EFAA CC(C)[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCO2)c1cnn(C)c1 885419304 DYOQHAPXOVKZQI-KRWDZBQOSA-N 343.427 2.940 0 50 EFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)C=C2CCCCC2)C1 1775958933 HEAZKPKTVQLSSF-UONOGXRCSA-N 332.366 2.935 0 50 EFAA Cc1nnc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1C 1776002537 KPIKOTIZGVGSLO-NXEZZACHSA-N 337.832 2.934 0 50 EFAA CCOc1ccccc1C(=O)NCC(=O)N1CC2(CCCCC2)C1 272768103 RUKVKZVCQMHFHK-UHFFFAOYSA-N 330.428 2.608 0 50 EFAA CN(C)C(=O)N1CCC(c2nc(COCc3ccccc3)no2)CC1 273951906 VAGQTEWKLIDYAV-UHFFFAOYSA-N 344.415 2.647 0 50 EFAA Cn1cnc(-c2ccc(NC(=O)N[C@@]3(C)CCO[C@@H]3C3CC3)cc2)n1 274597568 JPEAJCMXMPAQLN-QAPCUYQASA-N 341.415 2.561 0 50 EFAA COCc1cccc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c1 275283184 GCIOAOYMUDQDSS-HNNXBMFYSA-N 345.399 2.553 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccncc2F)C1 276041062 SBFYIDXZFWGVIN-ZDUSSCGKSA-N 348.447 2.580 0 50 EFAA O=C(Nc1cccc(N2C(=O)N[C@H](Cc3ccccc3)C2=O)c1)C1CC1 278074713 NNOFBLBTJLYADO-QGZVFWFLSA-N 349.390 2.703 0 50 EFAA COc1ccc2[nH]cc(CC(=O)N[C@@H](c3ncon3)C(C)C)c2c1 170617809 BYBGFNMQZWOTQA-MRXNPFEDSA-N 328.372 2.616 0 50 EFAA C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ncon1 170611283 RDFRZKAYFGVEEQ-LLVKDONJSA-N 342.330 2.674 0 50 EFAA COc1cncc(N2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1 636270417 FFFJWZJTWYIHNK-UHFFFAOYSA-N 348.406 2.601 0 50 EFAA CCc1ccc(C(=O)NCCN2CCc3ccccc3C2=O)s1 190172933 BRJUIKSSAGLSJM-UHFFFAOYSA-N 328.437 2.739 0 50 EFAA O=C(Nc1ccc(-n2ccc(=O)cc2)nc1)c1cccc2c1CCC2 192590200 DWQBUKPDHXIFPT-UHFFFAOYSA-N 331.375 2.974 0 50 EFAA Cc1csc2c(N3CCCC[C@@H](N4CCN(C)CC4)C3)ncnc12 192711676 LAOHCSYNGKCJMQ-OAHLLOKOSA-N 345.516 2.606 0 50 EFAA COc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)ccc1Cl 192994892 HEUIIXUSVDQESC-UHFFFAOYSA-N 337.763 2.617 0 50 EFAA O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCCN(CC(F)(F)F)C1 194117891 ZQIAHDTZYCICRY-LLVKDONJSA-N 326.322 2.776 0 50 EFAA COC(=O)c1cccc(N2CCC(c3ncc4n3CCCC4)CC2)n1 788570942 HAIIVIKDWLUXHC-UHFFFAOYSA-N 340.427 2.785 0 50 EFAA CN(C)C(=O)c1c[nH]nc1NCc1sccc1Br 928995899 LNTHNVAZJWKUDA-UHFFFAOYSA-N 329.223 2.548 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)c1ncccc1C(=O)N1CCCC1 1529145797 MVINHZJPEUGMRX-MRXNPFEDSA-N 337.423 2.758 0 50 EFAA c1cc2c(cc1CN1CCC[C@@]3(CCc4c[nH]nc43)C1)OCCO2 1800413411 GRDOTARNJAVQGH-LJQANCHMSA-N 325.412 2.661 0 50 EFAA COc1cc(NC(=O)c2onc(C)c2Cl)cc(OC)c1OC 5007020 RTJRNIJPLOVJLH-UHFFFAOYSA-N 326.736 2.915 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccs1 11753446 DDFJLELQKOPJGK-LBPRGKRZSA-N 334.828 2.932 0 50 EFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 11851706 RZFAQGIEMSXELB-WVZRYYJFSA-N 327.490 2.690 0 50 EFAA CC(C)NC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 11878656 VABAOJCFOYDABQ-IBGZPJMESA-N 335.492 2.999 0 50 EFAA C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 12380466 CDNGQLPUYFFGCE-OAHLLOKOSA-N 328.387 2.942 0 50 EFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1 12494921 CQEMMWFBKBQITQ-UHFFFAOYSA-N 335.363 2.558 0 50 EFAA COC(=O)CNC(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 12584814 SLJZPRJCIDMVIH-INIZCTEOSA-N 347.798 2.857 0 50 EFAA Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCC1 13583105 CDMCJAPDLQMOQK-UHFFFAOYSA-N 338.473 2.555 0 50 EFAA CC[C@H]1C[C@@H](O)CC2(CCN(CCOCc3ccccc3)CC2)O1 1857697356 RAIGHYQCSNQVBJ-MOPGFXCFSA-N 333.472 2.988 0 50 EFAA Cc1sc2ccccc2c1C(=O)N1CCC[C@]2(CNC(=O)O2)C1 1857722023 CFKDSWYGHYCOJS-KRWDZBQOSA-N 330.409 2.924 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 408474929 ZHEXSKPTHVKHOI-UKRRQHHQSA-N 337.851 2.589 0 50 EFAA COC(=O)c1ccnc(C(=O)N[C@H]2CCCOc3ccccc32)c1 408521598 AIZOLUKOAGSTSL-AWEZNQCLSA-N 326.352 2.512 0 50 EFAA CC(C)(C(=O)NCC(=O)N1CCc2ccccc21)c1cccc(F)c1 119875786 INIWURUIPISQHV-UHFFFAOYSA-N 340.398 2.809 0 50 EFAA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(Cl)o1 642295548 XRYOSCXCZWKKBO-MRVPVSSYSA-N 325.777 2.633 0 50 EFAA O=S(=O)(N1CCC[C@H]1c1ccccn1)N1CCC[C@H]1c1ccco1 241287098 LJWUTBNDJNVIDM-HOTGVXAUSA-N 347.440 2.893 0 50 EFAA CC[C@H](NC(=O)CN1CCn2cncc2C1)c1ccc(Cl)cc1 660580787 VADLQMKLSCNYBC-INIZCTEOSA-N 332.835 2.620 0 50 EFAA C[C@@H]1CCC[C@H](NC(=O)C[S@](=O)Cc2cn3ccccc3n2)[C@@H]1C 246176935 SPEQZNQSLHZZME-FWEJAOJHSA-N 347.484 2.524 0 50 EFAA Cc1coc(C)c1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 671620577 ZXUPXGOINTWZAM-MAUKXSAKSA-N 344.459 2.785 0 50 EFAA O=C1COc2cc(NC(=O)[C@@H]3CCCCN3C3CCCC3)ccc2N1 252505147 VPSCAFLRRKQLIS-INIZCTEOSA-N 343.427 2.753 0 50 EFAA COc1cccc(-c2cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)[nH]n2)c1 153962574 RKCNPVFXSGXLTM-ROUUACIJSA-N 341.411 2.869 0 50 EFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C(=O)O)s1 262077791 DRYRVKJXJWAEEH-UHFFFAOYSA-N 333.365 2.837 0 50 EFAA O=C(O)c1cccc(CCNC(=O)c2ccnn2C2CCCC2)c1 262978563 QRQXSAYFUHIUGV-UHFFFAOYSA-N 327.384 2.669 0 50 EFAA CC(C)(C)n1ncc2c(NCc3cccc4c3OCO4)ncnc21 160765311 YKQGAFPHKUTBGN-UHFFFAOYSA-N 325.372 2.922 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1 263478055 ZQMBGVQKOPBWMK-HNNXBMFYSA-N 342.370 2.923 0 50 EFAA O=C(O)C[C@@H](O)c1ccccc1-c1ccc(N2CCSCC2)nc1 900999682 HJXWIBRHGFPBQC-MRXNPFEDSA-N 344.436 2.810 0 50 EFAA COc1nccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)n1 930476074 NOUUCIJKQWKDHC-UHFFFAOYSA-N 347.444 2.570 0 50 EFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCn3nccc31)O2 935883603 VRYPCUQJCYPSJW-LJQANCHMSA-N 341.411 2.644 0 50 EFAA O=C1C[C@@H](C(=O)N(CC2CCOCC2)C2CCC2)Oc2ccccc21 2325784183 GCFGCZPZEJTCEA-IBGZPJMESA-N 343.423 2.828 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)N3CCCCCCC3)C2)[nH]c1C(=O)O 2325792405 YVOYHEHHBQSCNO-AWEZNQCLSA-N 348.447 2.982 0 50 EFAA C[C@@H]1CCCc2c(C(=O)N[C@@H]3C[C@H](C(=O)O)c4ccccc43)cnn21 2325793241 MNHTXGBBOUPQFM-DIOULYMOSA-N 339.395 2.823 0 50 EFAA CCOC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 757675 DLSAKBCKYGKSDB-IBGZPJMESA-N 344.499 2.969 0 50 EFAA COCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12448794 WMYUSQKZILFWSN-UHFFFAOYSA-N 345.487 2.711 0 50 EFAA CCC(=O)c1ccc(OC[C@@H](O)Cn2nc(C)c(C(C)=O)c2C)cc1 2550936 QZWTWCCXQNBYFR-INIZCTEOSA-N 344.411 2.735 0 50 EFAA CSC(C)(C)[C@H](N)C(=O)NCCCc1nc2ccc(C)c(C)c2[nH]1 2356165934 RHFGBTVAXTZYMR-MRXNPFEDSA-N 348.516 2.697 0 50 EFAA CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 3339533 CDHCSOKSJKUSDO-UHFFFAOYSA-N 333.409 2.997 0 50 EFAA COc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1OC 4725494 RXDBBLASOSFQSE-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1C 4810837 IOVOZQLTLHSRJU-UHFFFAOYSA-N 328.437 2.851 0 50 EFAA O=C(C1CCN(Cc2cccnc2)CC1)N1CCc2ccccc2C1 6045719 HARTZMNMYDASMO-UHFFFAOYSA-N 335.451 2.879 0 50 EFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7398064 MGPWBLGTIWHAEC-CQSZACIVSA-N 342.370 2.504 0 50 EFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1F 10544242 OCHKTOHTMQOYEX-MRXNPFEDSA-N 342.480 2.900 0 50 EFAA O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)nc1 114646816 NPDQXNPDNURPSR-UHFFFAOYSA-N 346.749 2.897 0 50 EFAA CC(C)(C)c1ccc(C(=O)Nc2cnc3scnn3c2=O)cc1 9029197 MODNLTIYPANVMH-UHFFFAOYSA-N 328.397 2.701 0 50 EFAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(C(C)C)o3)C2=O)c(C)c1 135317022 AJYVAEOCFRGQRQ-GOSISDBHSA-N 342.399 2.777 0 50 EFAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)CCCc1c(C)n[nH]c1C 55342715 WMOGXVOPJILAIQ-QGZVFWFLSA-N 349.406 2.865 0 50 EFAA Cc1cccc([C@@H](C(=O)NCc2cnc3c(C)cccn23)N(C)C)c1 65490250 MYSQQUAJUJNSPU-SFHVURJKSA-N 336.439 2.870 0 50 EFAA Cn1ccnc1-c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nn1 67842566 KQFSKFNIWAHPLR-MRXNPFEDSA-N 334.427 2.564 0 50 EFAA CN(Cc1csc(-c2cccs2)n1)c1cc(CCN)ncn1 67458140 JRCQVYUFXCMHKG-UHFFFAOYSA-N 331.470 2.799 0 50 EFAA CCS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc3ccccc23)C1 67878692 FUWSPQRSVMNQLD-INIZCTEOSA-N 346.496 2.991 0 50 EFAA CC(C)Oc1ccc(Cc2noc(C[C@H]3CCCC(=O)N3)n2)cc1 349987659 JVCIRMWUYZKFSN-CQSZACIVSA-N 329.400 2.659 0 50 EFAA CCc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)N(C)C(=O)CO4)o1 65365948 BKGKHPTZQVUNII-GFCCVEGCSA-N 326.352 2.671 0 50 EFAA COc1ccc(-n2ccnc2CN2CCC[C@H](c3ccn[nH]3)C2)cc1 67771388 GQYKODMKIDZQLF-HNNXBMFYSA-N 337.427 2.984 0 50 EFAA CSCC[C@H](NC(=O)Cc1ccccc1)c1nnc2ccccn12 20738359 YUIYIUVNXAYUOR-HNNXBMFYSA-N 340.452 2.882 0 50 EFAA CCc1ccccc1N1C[C@@H](C(=O)N2CC(CC(F)F)C2)CC1=O 425088071 MQHGATWPOVMRMZ-AWEZNQCLSA-N 336.382 2.716 0 50 EFAA Cc1noc(C)c1CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2 120758442 XIUKVNCXFDZNNJ-UHFFFAOYSA-N 332.335 2.637 0 50 EFAA O=C(Cc1ccccn1)NCC1CCN(C2Cc3ccccc3C2)CC1 67920354 ZXJXNVXKQOJASE-UHFFFAOYSA-N 349.478 2.620 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](C)c1cccc(OC)c1)CC2 151334508 FXWASTORUKIUOF-BMGDILEWSA-N 347.455 2.577 0 50 EFAA O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN2CCOC[C@H]2C1 328588620 LKGZULVWJBOIFD-LLVKDONJSA-N 348.752 2.515 0 50 EFAA CC(C)(C)c1ncc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)cn1 328595139 LUZPSNAKHKRCDL-BNOWGMLFSA-N 328.416 2.874 0 50 EFAA Cc1cccc2c(C(=O)N3CCC[C@@H](NC(=O)N(C)C)C3)coc12 332000799 NXEIASAMRUSINN-CYBMUJFWSA-N 329.400 2.617 0 50 EFAA Cc1nn(C)cc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 2768011 HWKOXJIYYCKFKN-UHFFFAOYSA-N 341.390 2.982 0 50 EFAA CC[C@](NC(=O)c1ccc(NC(C)=O)cc1)(C(=O)O)c1ccccc1 362340540 SSRSMGOZFKORTA-LJQANCHMSA-N 340.379 2.765 0 50 EFAA Cc1ccccc1C1(C(=O)NCc2cccc(OCC(=O)O)c2)CC1 124719101 CHZDFKNYULNKLK-UHFFFAOYSA-N 339.391 2.806 0 50 EFAA O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)NC(C1CC1)C1CC1 156009689 GHYKCKKQEVKCGO-IBGZPJMESA-N 342.483 2.564 0 50 EFAA Cc1nn(C)c2sc(C(=O)Nc3ccc4c(c3F)CCNC4)cc12 261767387 QWCQNKCYEKWANS-UHFFFAOYSA-N 344.415 2.980 0 50 EFAA COCCCN1C[C@]2(CCCN(c3ccncc3C)C2)CCC1=O 72427905 RUEJJBAAIFIFGU-LJQANCHMSA-N 331.460 2.636 0 50 EFAA CC[C@@](NC(=O)Cn1nc(C)cc1C)(C(=O)O)c1ccc(Cl)cc1 262026579 GNLXUACXUMLPDR-KRWDZBQOSA-N 349.818 2.660 0 50 EFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3nc4n(n3)CCCC4)C2)cc1 333660904 MCRVMTYNYGFWCO-GOEBONIOSA-N 339.443 3.333 0 50 EFAA Cc1nc2ccccc2nc1N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 284571969 NCKGQZQLUTUZBJ-BJZITVGISA-N 327.428 2.695 0 50 EFAA C[C@H]1C[C@H]1C(=O)Nc1cc(I)cc(C(=O)O)c1 237639813 IXVJQWGWEPOKBS-QUBYGPBYSA-N 345.136 2.584 0 50 EFAA Cc1nonc1CC(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 215226441 LIACTHIOVZDJFO-OAHLLOKOSA-N 343.362 2.690 0 50 EFAA COc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)cc1OC 284783824 YKNHTRRCCOWHDN-BBWFWOEESA-N 335.444 2.720 0 50 EFAA Cc1c[nH]c(CN2CCCC[C@H]2CCn2ccnc2C)c(C)c1=O 77337413 TUKRKBYBFRUHMR-KRWDZBQOSA-N 328.460 2.941 0 50 EFAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1 285385780 ZPOXHBZSOVOGFR-LNLFQRSKSA-N 341.459 2.568 0 50 EFAA CNc1nc(C)c(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)s1 77516636 HLOZXCBZQBDGPP-CQSZACIVSA-N 346.456 2.710 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NCc2ccc(CO)cc2)cc1 72478090 NHOMJSUVMYALHD-UHFFFAOYSA-N 327.424 2.812 0 50 EFAA O[C@H](CN1CCC(CNc2ncc(Cl)cn2)CC1)c1ccccc1 242305019 YUBXGURCMNWPAM-QGZVFWFLSA-N 346.862 2.988 0 50 EFAA CC(C)(C)n1nc(C(=O)NCCOCC(F)(F)F)cc1C1CC1 338378497 UGZSBLMUCFLMDJ-UHFFFAOYSA-N 333.354 2.824 0 50 EFAA CC(C)c1cc(-c2nn3c(CN4CCCCC4)nnc3s2)n[nH]1 40285311 DAYQAAYRADALEE-UHFFFAOYSA-N 331.449 2.685 0 50 EFAA CCN1CCN(c2ncnc3c2c(C)c(C)n3Cc2ccco2)CC1 40456204 JVOALKHUEKAXMH-UHFFFAOYSA-N 339.443 2.831 0 50 EFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2)CC1 82106770 ZKDUHEGRKCNXCB-UHFFFAOYSA-N 340.475 2.673 0 50 EFAA NCCc1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1F 426588841 DRPVHAHGUCHXHH-GFCCVEGCSA-N 336.436 2.569 0 50 EFAA CCC1(CC)[C@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1OC 178087442 BXSASDNZFORWQU-QZTJIDSGSA-N 346.471 2.847 0 50 EFAA O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@@H](C2CC2)C1 290978718 TWRTYIYXWFEXNK-RTBURBONSA-N 340.467 2.869 0 50 EFAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cnc(N)cn2)c1 426658253 BMWQEMRZKYXSPT-MRXNPFEDSA-N 340.427 2.757 0 50 EFAA CC[C@@H](CNC(=O)c1ccc(-n2cnnc2)nc1)Cc1ccccc1 97823552 YCRQIPRROCUQTC-OAHLLOKOSA-N 335.411 2.661 0 50 EFAA CCOc1ncccc1CNC(=O)c1cccc([C@H]2CCCNC2)c1 95366523 FMWBPZDVRIARJB-KRWDZBQOSA-N 339.439 2.877 0 50 EFAA COCCN(Cc1ccncc1)C(=O)c1c[nH]nc1-c1ccccc1 95390413 QDLDNHHGMWJYBV-UHFFFAOYSA-N 336.395 2.761 0 50 EFAA O=C1[C@@H](c2ccccc2)CC2(CCN(CCCO)CC2)CN1C1CC1 92065322 MVFRPSVVIITROM-LJQANCHMSA-N 342.483 2.630 0 50 EFAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)c1 95368537 UMHWFXNIXXPVLH-QGZVFWFLSA-N 341.411 2.768 0 50 EFAA Cc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 95505131 GDWMWSPGNQCYHZ-KRWDZBQOSA-N 334.427 2.809 0 50 EFAA CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 91677192 HFIYGRJBKRQUCG-SFHVURJKSA-N 328.456 2.897 0 50 EFAA CN1CCC(CCC(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 97784743 ANISVLWSDYWZMJ-OAHLLOKOSA-N 329.366 2.923 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccncc1F 184216594 VPMPORUJVWMXOL-UHFFFAOYSA-N 329.310 2.867 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@H]1Cn1ccnn1 299741513 FLXUYJPACWWWAT-ZDUSSCGKSA-N 338.333 2.531 0 50 EFAA O=C(NCc1ccccc1OC1CCC1)[C@@H]1CNC[C@H]1C(F)(F)F 299740920 CEVMMCIYUKVWRA-ZIAGYGMSSA-N 342.361 2.632 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 257346270 WZLPMEFLVNRRPZ-YRIJDMTNSA-N 346.467 2.809 0 50 EFAA Cc1cnc(C)c(N2CCN(C(=O)NC3(C4CCCC4)CC3)CC2)n1 534651110 XJIFUOCTJYVCDS-UHFFFAOYSA-N 343.475 2.648 0 50 EFAA C[C@H](CN(C)c1nnc(Cc2ccc(Cl)cc2)s1)C(=O)O 263564514 UZLPJLFPQXIYQG-SECBINFHSA-N 325.821 2.939 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnc2cnn(C)c2c1 1940196086 JAPDRFNTXLHJAT-INIZCTEOSA-N 336.395 2.784 0 50 EFAA COc1ccc(C)c(NC(=O)NC2CCN(c3cnccn3)CC2)c1 299773524 DWUXUIYUYVYKTK-UHFFFAOYSA-N 341.415 2.584 0 50 EFAA C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCOCC1 268574183 POHJUXMIWAYWQL-INIZCTEOSA-N 330.472 2.830 0 50 EFAA CCCN1C[C@@H](NC(=O)Cc2coc3cc(C)cc(C)c23)CC1=O 822919225 UHLOHGAMVFOSHB-HNNXBMFYSA-N 328.412 2.719 0 50 EFAA CC[C@H](NS(=O)(=O)N1CCCCCC1)c1nc(C)c(C)s1 822668886 NJQHVPBFCVENAN-ZDUSSCGKSA-N 331.507 2.921 0 50 EFAA CCOc1ccc(-c2cn(CCNC(=O)[C@H](C)C3CC3)nn2)cc1 1875323618 NDBQNRFEAHOUCW-CYBMUJFWSA-N 328.416 2.506 0 50 EFAA Cn1cnc2cc(CNS(=O)(=O)[C@H]3C[C@@H]3c3ccccc3)ccc21 1875362797 TVAKDSVULRIUDM-QAPCUYQASA-N 341.436 2.549 0 50 EFAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@H]1CCn2cncc2C1 1875305040 DHOBJTDVVQTAAA-BXWFABGCSA-N 339.439 2.952 0 50 EFAA COc1ccc(OC[C@H]2C[N@]2Cc2cnn(C)c2)c(C(F)(F)F)c1 1875381215 NUBCWXBJWXSZIA-IPQOISQHSA-N 341.333 2.711 0 50 EFAA COC(=O)[C@H](NC(=O)c1cc2cccc(C)c2[nH]1)C1C[C@H]2C[C@@H]2C1 1875344575 MBCGQCXNBMOHHZ-PBFPGSCMSA-N 326.396 2.794 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)c3ccc4c(c3)N(C)C(=O)CO4)ccc2O1 885593538 BDYXBNLPRJCUMU-LLVKDONJSA-N 338.363 2.618 0 50 EFAA Cc1csc(C[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C2)n1 886224694 FOEBWFVHXHQYKZ-ZDUSSCGKSA-N 326.425 2.804 0 50 EFAA COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(N)nn2)cc1F 888077244 VZKNDZOKOBQXGY-OAHLLOKOSA-N 344.390 2.503 0 50 EFAA O=C(CCc1cnc2ccccc2c1)Nc1ccccc1-c1nn[nH]n1 1182297934 WLQVOWFUGGAJIQ-UHFFFAOYSA-N 344.378 2.986 0 50 EFAA O=C(CCCc1ccccc1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1565529364 GETCTLXMUXTOLV-PMACEKPBSA-N 344.499 2.562 0 50 EFAA Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)ccn1 274847678 XADJHGGBUKXHID-UHFFFAOYSA-N 334.423 2.763 0 50 EFAA CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NC(=O)OC(C)(C)C)C1 95630126 GKOKDSCWLNRKGQ-UHFFFAOYSA-N 343.420 2.563 0 50 EFAA in-vitro COc1ncnc2c1CN(C(=O)c1cc3c(s1)CC[C@@H](C)C3)CC2 170656822 PQRYMQNTKNKJPI-LLVKDONJSA-N 343.452 2.870 0 50 EFAA C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O 170621508 MPVSEQLBCTVCCK-SNVBAGLBSA-N 332.306 2.717 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 407981770 VGOCMJZCALZFGE-AWEZNQCLSA-N 329.404 2.746 0 50 EFAA C[C@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)CC(=O)N2 170869760 ZZCKAMVGHMQEMB-JTQLQIEISA-N 342.420 2.806 0 50 EFAA CN(C)CC(C)(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1 408520648 PWOVKBCTHIYKGW-UHFFFAOYSA-N 332.366 2.627 0 50 EFAA CCc1nc(C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)n[nH]1 190684480 KMPRMZOMZCFOEG-UHFFFAOYSA-N 341.459 2.802 0 50 EFAA CO[C@@H]1C[C@@H]2C[C@@H](Nc3cccc(OCC(=O)N(C)C)c3)C[C@@H]2C1 643885126 MLBSUPRZAPMBPB-XRIURRBSSA-N 332.444 2.769 0 50 EFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCC(F)(F)C(F)F)cc1 192024534 MRYMBNDRRRCJHA-GFCCVEGCSA-N 346.324 2.503 0 50 EFAA Cc1c(NC(=O)c2ccc(N3CCCC3)nn2)cnn1C1CCCC1 192714915 DQGHPAQIPAOUNL-UHFFFAOYSA-N 340.431 2.949 0 50 EFAA O=[S@](CCCc1cn[nH]c1)c1cc2c(cc1Cl)OCCO2 194557169 HJWPXEKWRRSRPX-OAQYLSRUSA-N 326.805 2.575 0 50 EFAA Cc1c(NC(=O)CN2CCCC[C@@H]2CCc2ccccn2)cnn1C 1506404883 JKSPFTNUBSXTGM-QGZVFWFLSA-N 341.459 2.549 0 50 EFAA COc1ccc(-c2ccc(S(N)(=O)=O)s2)c2ccc(C)nc12 1506415140 MCUGDDASQQCKNH-UHFFFAOYSA-N 334.422 2.928 0 50 EFAA Cc1noc(-c2ccnc(N3CCC[C@@H](C(=O)c4ccccn4)C3)c2)n1 1506397287 PJBVTFZMHGASCA-OAHLLOKOSA-N 349.394 2.934 0 50 EFAA O=C(c1cccnc1)N1CCC(NCCCC[C@H]2CCCO2)CC1 1506419741 WGPYJMWPWMUZOB-SFHVURJKSA-N 331.460 2.625 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1 11774557 GUEKREQQZJAGGR-OAHLLOKOSA-N 344.455 2.751 0 50 EFAA CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 14948007 RSOOOESWDXYLMS-LJQANCHMSA-N 332.419 2.967 0 50 EFAA O=C1CCN(C(=O)C2=CCCCC2)CCN1Cc1cccc(F)c1 15001651 CIMUDEIMOKHCII-UHFFFAOYSA-N 330.403 2.887 0 50 EFAA CCCOc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1C 16652458 YHJHLQICVTVUJD-UHFFFAOYSA-N 334.441 2.966 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)CCc1cccc(Cl)c1)C2 1857692229 VFALBGKTKLUXDN-QGZVFWFLSA-N 336.819 2.716 0 50 EFAA Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3ccnc3)c2)cc1 117569483 KVYQCPDIBVJAEF-UHFFFAOYSA-N 348.406 2.891 0 50 EFAA O=C(c1csc(-c2ccoc2)n1)N1CCC[C@@H](Cn2ccnn2)C1 124841940 SONBDDIZWGNXRJ-GFCCVEGCSA-N 343.412 2.547 0 50 EFAA CN(CCc1ccncc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 248152725 YFOVSYCTOHJVDI-MSOLQXFVSA-N 343.471 2.511 0 50 EFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 347930155 UHDRAQSIAXSXHN-LSDHHAIUSA-N 342.361 2.677 0 50 EFAA c1cncc(Cn2cc(CN3CCO[C@H](C4CCCCC4)C3)nn2)c1 364887067 ZIXZXQPMGGVPLM-IBGZPJMESA-N 341.459 2.503 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CN)c2cnn(C(C)C)c2n1 156600590 AXUQRLNYLJKRMR-BLLLJJGKSA-N 329.448 2.520 0 50 EFAA CC(C)Nc1cccc(-c2cn(C[C@H]3CCC4(COC4)O3)nn2)c1 900603728 IRMXHKPWRVYGJC-MRXNPFEDSA-N 328.416 2.713 0 50 EFAA CN(C)S(=O)(=O)c1cccc(Nc2ccnc(C(C)(C)C)n2)c1 1203274667 XVXMNZVWFJMNFI-UHFFFAOYSA-N 334.445 2.768 0 50 EFAA Cc1csc(N(C(=O)[C@@H](C)N2Cc3ccccc3C2=O)C2CC2)n1 906870477 LJDZMPRVFSTGFZ-GFCCVEGCSA-N 341.436 2.991 0 50 EFAA Cn1cncc1CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 933633567 NWZUCRWFVKFFQK-INIZCTEOSA-N 346.862 2.510 0 50 EFAA Cc1nc([C@@H]2CN(C(=O)c3ccc(F)c(C(F)F)c3)CCO2)no1 935294165 VMDCFZVMQSZPNQ-LBPRGKRZSA-N 341.289 2.668 0 50 EFAA N=C(O)[C@@]1(O)CCCN(Cc2ccc(Cl)cc2Br)C1 330541031 MSBKMRZXCSBLKR-CYBMUJFWSA-N 347.640 2.965 0 50 EFAA CN(C)[C@H]1CCOc2c(NC(=O)c3cccc4ccnn34)cccc21 2325779841 JELPJBAPCUFVDE-INIZCTEOSA-N 336.395 2.972 0 50 EFAA Oc1cc(CSc2nnnn2C2CCOCC2)c2ccccc2n1 2325779972 WBOSBNMMCBJNJW-UHFFFAOYSA-N 343.412 2.571 0 50 EFAA COC(=O)c1cc(COC(=O)[C@H]2CCC[C@H]2c2ccccc2)nn1C 2325792453 FEAJKTWHHCTLEW-HOTGVXAUSA-N 342.395 2.834 0 50 EFAA Fc1cc2nc(CNC3CCN(c4ccncc4)CC3)[nH]c2cc1F 2325806057 PVYRCBKIXPYLEG-UHFFFAOYSA-N 343.381 2.995 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H](C(=O)O)c2cccc3ccccc23)[nH]1 2325852507 IXMDWQRXUTYGQA-KRWDZBQOSA-N 336.347 2.926 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnc1N1CCCCC1 248130555 NCESFXFEGSCXSU-QZTJIDSGSA-N 342.487 2.771 0 50 EFAA O=C(N[C@H](Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1 230567 SQRPBDFYIVAQSB-QGZVFWFLSA-N 332.363 2.528 0 50 EFAA Cc1c(NC(=O)Cc2cccs2)c(=O)n(-c2ccccc2)n1C 319600 UDXLOENFSDNKRF-UHFFFAOYSA-N 327.409 2.727 0 50 EFAA CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 463357 JEFUJOVQISUVGF-UHFFFAOYSA-N 338.816 2.599 0 50 EFAA NS(=O)(=O)c1ccc(NC(=S)NCCC2=CCCCC2)cc1 610192 OXQCPNAAPNRAFW-UHFFFAOYSA-N 339.486 2.511 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356147781 OWXMAPOTVFWDII-LJQANCHMSA-N 347.459 2.616 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc3ccccc3c2)CC[C@H]1O 2356161860 MTGDULJDTYLDQN-YLJYHZDGSA-N 341.407 2.918 0 50 EFAA COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc(C)c1C 4904472 FNDVHCVMFHSSRH-WDEREUQCSA-N 337.397 2.757 0 50 EFAA CCCNc1ccc(CNC(=O)CNC(=O)c2cc(C)oc2C)cc1 225500220 GLYQSFLTHGWDMC-UHFFFAOYSA-N 343.427 2.765 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 225651416 WNZLQHSSDHIUPF-KBPBESRZSA-N 329.331 2.777 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H]1CCN(CC(F)F)C1 416351987 SXXXMFGVBSVEAW-CQSZACIVSA-N 346.381 2.521 0 50 EFAA COc1ccc(OC)c(C(=O)N(Cc2ccccc2)C[C@@H](C)CO)c1 55042481 IVRJOLRNUZZRQA-OAHLLOKOSA-N 343.423 2.975 0 50 EFAA Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NS(C)(=O)=O 10315159 KPYLUHXLIIJXGX-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA CC(C)n1ccnc1CNC(=O)C1CCN(Cc2ccco2)CC1 65386117 UGRWHQLZHRJGLW-UHFFFAOYSA-N 330.432 2.585 0 50 EFAA CCC(=O)c1ccc(OCCOCCN2C[C@H](C)O[C@@H](C)C2)cc1 20653077 UICDOCVLHLVQHL-HOTGVXAUSA-N 335.444 2.784 0 50 EFAA CN(Cc1ccccc1)Cc1nnc2sc(-c3ccccn3)nn12 67239863 YPNHQVKNCKJCPR-UHFFFAOYSA-N 336.424 2.880 0 50 EFAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(C)c1ccccc1F 118218925 UIUXMWIDPKUNTK-QGZVFWFLSA-N 339.374 2.567 0 50 EFAA CC(C)c1nc(C2=NN(C)C(=O)CC2)n(-c2cccc3cccnc23)n1 65500195 ZBBQZGBXFPJQRQ-UHFFFAOYSA-N 348.410 2.895 0 50 EFAA COc1cccc(CCC(=O)NCc2c(C)cc(C)nc2OC)c1 66780950 DIQGUEQWSXLGKV-UHFFFAOYSA-N 328.412 2.965 0 50 EFAA CN(C)c1nc2c(s1)[C@@H](c1cccc3cnccc13)CC(=O)NC2 65372399 QREMCWRSVDVJCE-CQSZACIVSA-N 338.436 2.909 0 50 EFAA O[C@@H]1CCCC[C@@H]1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 230125474 QMSDFOYTDUYNFP-XHSDSOJGSA-N 327.371 2.965 0 50 EFAA COc1cccc(CN2CCN(Cc3ccc(C)o3)C[C@H]2CCO)c1 36385584 APRXUFDYZRDPNV-GOSISDBHSA-N 344.455 2.665 0 50 EFAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2O)c(C)c1CC(=O)O 359746276 KFCSHKOHDVMGDK-UHFFFAOYSA-N 349.408 2.745 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](O)c2ccccc2C1 361121213 FTFIBWHBSGBEIM-LJQANCHMSA-N 333.391 2.952 0 50 EFAA CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C)o2)[C@@H]1c1cnn(C)c1 328625791 LBSBVUUBOAVIPV-MAUKXSAKSA-N 344.459 2.867 0 50 EFAA CCn1cnnc1[C@H]1CN([C@H](C)CCc2cccc(F)c2)CCO1 328653517 WXCWZZAVTSIFLU-RHSMWYFYSA-N 332.423 2.832 0 50 EFAA COc1cnc(N(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)nc1 331420703 AYLZKLSTOYPXNE-UHFFFAOYSA-N 329.404 2.591 0 50 EFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)[nH]c2c1 77522482 BHKQGOYKULTIBR-INIZCTEOSA-N 336.395 2.547 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1nc(-c2ccccc2)cs1 155956889 OODYZNJWIQRBPK-SKDRFNHKSA-N 333.438 2.812 0 50 EFAA CCCn1ccnc1CN1CCO[C@@H](Cc2cccc(OC)c2)C1 71745644 WGVCAVPKEZKTHW-SFHVURJKSA-N 329.444 2.745 0 50 EFAA Cc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2=O)cc1C 77472217 SKGUVFPWSFVYMW-UHFFFAOYSA-N 340.398 2.927 0 50 EFAA O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cncnc2)CC1 126822352 BHWQWPCMJKJCIO-UHFFFAOYSA-N 335.329 2.989 0 50 EFAA O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccccc1Br 241694017 QJSGNAPXZGMRHL-LLVKDONJSA-N 340.217 2.865 0 50 EFAA CCc1nc(NCCc2cnn(-c3ccccc3)c2)c2cnn(C)c2n1 72135135 BUFQMXSJQBTACM-UHFFFAOYSA-N 347.426 2.766 0 50 EFAA C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC(C)(C)O1 127568018 KZVWODWVKSDCIU-MRVPVSSYSA-N 337.367 2.871 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(Cl)c3cccnc23)C1 284615232 MOSLNIONCYUZFX-DOMZBBRYSA-N 343.818 2.968 0 50 EFAA CC(C)N1C(=O)N[C@@H]2CN(c3ncc(Cl)cc3Cl)CC[C@@H]21 284623009 RXBRDQXTZWUKFJ-NEPJUHHUSA-N 329.231 2.769 0 50 EFAA CC(C)c1nnc2n1CCN(Cc1ncnn1-c1ccccc1)[C@H]2C 374074843 NVXFOFINYMSDMC-AWEZNQCLSA-N 337.431 2.559 0 50 EFAA Cc1cccc(-c2nc(CC(=O)N3CC[C@H](N)C[C@@H]3C)cs2)c1 237500215 CGTHKYDEFARHBT-ZFWWWQNUSA-N 329.469 2.999 0 50 EFAA CCn1nnc(C)c1CN1CCC2(CC1)OCCc1ccsc12 449227661 QEVVZVHDMJBJBM-UHFFFAOYSA-N 332.473 2.732 0 50 EFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)s1 17071010 KSRZPBJWXFQPAM-MNOVXSKESA-N 338.429 2.629 0 50 EFAA COc1cccc(CCNC[C@@H](O)COc2cccc(C)c2)c1OC 71767437 BAZMIGKELUORMU-QGZVFWFLSA-N 345.439 2.584 0 50 EFAA CC(=O)c1ccc(C(=O)NCc2csc(-c3cnccn3)n2)s1 218793546 FNXACYRWYFQOLQ-UHFFFAOYSA-N 344.421 2.794 0 50 EFAA COc1ccc(CC2(C(=O)O)CCN(C(=O)C3CCC3)CC2)cc1 71756948 OVWIUBNMZVHRBQ-UHFFFAOYSA-N 331.412 2.731 0 50 EFAA CCCn1nccc1C(=O)N1CC[C@H](Cc2ccc(C(=O)O)cc2)C1 72424451 ZWMFXOSZQAKAGL-OAHLLOKOSA-N 341.411 2.696 0 50 EFAA Cc1cc(=O)nc(S[C@H](C)C(=O)NCc2cc3ccccc3o2)[nH]1 215187407 LYKWPXNOPLMOGI-LLVKDONJSA-N 343.408 2.622 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 238019289 CSAGGTBETKMMEG-OAHLLOKOSA-N 341.411 2.648 0 50 EFAA C[C@@H]1CN(Cc2ccc(OCCCn3ccnc3)cc2)CCCO1 215422047 HARVWTBMMASPPH-QGZVFWFLSA-N 329.444 2.963 0 50 EFAA C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(-c2ccccc2)on1 285177676 VLIUDKNWYHFEAM-OAHLLOKOSA-N 329.444 2.619 0 50 EFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1C 213099944 LSYMEUUBRCNMBD-MRXNPFEDSA-N 336.391 2.692 0 50 EFAA O=C1CCCCN1CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 286245854 UVXBDBQPEZVWMU-KURKYZTESA-N 326.440 2.794 0 50 EFAA C/C(=C\c1ccc(F)cc1)C(=O)NC1CCN(c2ncccn2)CC1 175989400 BMWZRMADIXFECH-BUHFOSPRSA-N 340.402 2.804 0 50 EFAA Cc1cn2cc(C(=O)N[C@@H](C)c3nc(-c4ccncc4)no3)ccc2n1 82097112 CDYYAPQIQILORO-LBPRGKRZSA-N 348.366 2.579 0 50 EFAA CCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2ccccc21 342769664 DCMPYCFHFSMNJV-UHFFFAOYSA-N 343.408 2.561 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)NCC2CCCCCC2)CC1 263435169 ZQWCBGMZVBRJHY-MRXNPFEDSA-N 339.480 2.537 0 50 EFAA CNC(=O)Cn1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cn1 426490563 LGRWGBSUMPTGOU-UHFFFAOYSA-N 342.443 2.555 0 50 EFAA COc1ccc([C@H](C(=O)O)N(C)CCn2ccnc2C)cc1Cl 95352240 TUFKQPYQZXDLIG-OAHLLOKOSA-N 337.807 2.611 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCc1nc3ccccc3o1)C2 95369685 FEHUIGZWHSGYFT-CYBMUJFWSA-N 338.363 2.704 0 50 EFAA Nc1cnc(-c2ccc(C(=O)NCCCC[C@@H]3CCCO3)cc2)cn1 426361263 KIECVQBFJQAYCS-MRXNPFEDSA-N 340.427 2.805 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91645986 SCGSYIKXLXFXHV-DLBZAZTESA-N 342.395 2.551 0 50 EFAA CC[C@@H](NC(=O)c1csc(C)n1)c1ccc(S(C)(=O)=O)cc1 96164410 OWZHUPGUNZHNJE-CYBMUJFWSA-N 338.454 2.736 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2ccc(-n3cccn3)cc2)n(C)n1 91849142 IWFBMYDZBNRGJZ-UHFFFAOYSA-N 337.427 2.734 0 50 EFAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-n2cnnc2)nc1 97716846 VLCASRYVOILMLS-KRWDZBQOSA-N 333.395 2.948 0 50 EFAA Cc1noc2ncnc(N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)c12 95356051 NEVDMCOARDWAGG-SNVBAGLBSA-N 343.774 2.797 0 50 EFAA CCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1COc2ccccc2C1 95530249 PHJAMQWVXVWTOG-MRXNPFEDSA-N 327.428 2.637 0 50 EFAA CCN(CC)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239164827 MZLGRZORYBYRDL-MGBSGCIJSA-N 328.412 2.994 0 50 EFAA CCCn1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)c(C)n1 91365150 YHRRTRYIPRIXGN-UHFFFAOYSA-N 337.427 2.760 0 50 EFAA Cc1c(CNC(=O)CC[C@H](C)N2CCOCC2)oc2ccccc12 244723747 MGRMYPHKOXZJDX-AWEZNQCLSA-N 330.428 2.858 0 50 EFAA Cc1c(C(=O)N2CCOC3(CCCC3)C2)c2cc(O)ccc2n1C 244723605 MEJIIWGDHPSPLX-UHFFFAOYSA-N 328.412 2.978 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(F)cc1 299753378 YANFCNGQIYJQCX-GJZGRUSLSA-N 329.327 2.634 0 50 EFAA Cc1nc(O)ccc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299740731 BKKQZKPWZGXHGG-GUYCJALGSA-N 330.359 2.742 0 50 EFAA CCn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 263433035 NYUHMCNWTCECSB-SNVBAGLBSA-N 347.337 2.639 0 50 EFAA OCc1ccc2c(c1)CN(C[C@@H]1CC(c3ccccc3)=NO1)CCO2 299773536 FFXYWOUZAKWRCZ-SFHVURJKSA-N 338.407 2.567 0 50 EFAA O=C(O)C[C@H](NC(=O)CCN1CCCCCCC1)c1ccccc1 299780105 RETLSIUEJOYTDE-KRWDZBQOSA-N 332.444 2.975 0 50 EFAA O=C1C[C@@H](CN2CCC(c3ccncn3)CC2)CN1c1ccccc1 299800577 WZCXDIAZPGKTIO-INIZCTEOSA-N 336.439 2.709 0 50 EFAA C[C@@H](NC(=O)CCc1csc(N)n1)c1nc2c(s1)CCCC2 299781889 DFVAKADOCWCMNW-SECBINFHSA-N 336.486 2.871 0 50 EFAA CN1CC[C@H](C(=O)NCC2CCC3(CC2)CC3)[C@H](c2ccnn2C)C1 1875269616 VHHSIOMKYFCGIW-DLBZAZTESA-N 344.503 2.542 0 50 EFAA CN(C)Cc1nc2ccc(NC(=O)c3cccc4nccn34)cc2[nH]1 1875357890 AXDOSRHTTJCZDH-UHFFFAOYSA-N 334.383 2.525 0 50 EFAA COCC[C@@H](NC(=O)c1cc(OC)c(C)c(OC)c1)c1cccnc1 952994580 YSUSYUPWZXXNEL-MRXNPFEDSA-N 344.411 2.915 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)c(F)c(F)c1 268892927 AYHAGZAOAYSYQR-JCOFBHIZSA-N 327.302 2.962 0 50 EFAA O=C1C[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C2(CCCC2)O1 952868406 NFXFNGMUJPJTNN-HNNXBMFYSA-N 325.368 2.687 0 50 EFAA Cc1cc(N2CCC[C@@H]2c2nc3ccccc3n2C)n2nc(C)nc2n1 882069459 OVKFTJJECRYLNS-MRXNPFEDSA-N 347.426 2.969 0 50 EFAA CCCc1noc(CN(C)C(=O)c2cc(OC)c3ccccc3n2)n1 952973920 AAAIEYZHWIYZOS-UHFFFAOYSA-N 340.383 2.851 0 50 EFAA CC(C)Cc1cc(C(=O)NCCn2ccc3ccccc32)nc(O)n1 952991140 PFRAQQONWPAMAF-UHFFFAOYSA-N 338.411 2.765 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)/C=C/c1cc(CO)cs1 952963560 KVNCHUGEZWNDIH-MBVDDHJVSA-N 333.457 2.681 0 50 EFAA Cc1c(C(=O)N2CCC[C@H]2c2ccc(N)nn2)cnn1-c1ccccc1 888077143 NCTWADRGBOFSAT-KRWDZBQOSA-N 348.410 2.530 0 50 EFAA Cc1cccc2c1OC[C@@H](NC(=O)NCCc1cccnc1C)C2 894981409 HUNLJLMVJGEUDO-KRWDZBQOSA-N 325.412 2.544 0 50 EFAA CC(C)(CC(=O)N1CCCN(Cc2nc(C3CC3)no2)CC1)C1CC1 981109503 BTGSWKCEFWXARG-UHFFFAOYSA-N 346.475 2.808 0 50 EFAA CCc1noc(C2CCC(NCc3nc(C(F)(F)F)n[nH]3)CC2)n1 1423542926 NMYLIDJTNNBMJQ-UHFFFAOYSA-N 344.341 2.585 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)C1CCCCCC1 1565510694 CPKQURJLYMOKGE-OALUTQOASA-N 347.455 2.802 0 50 EFAA CCOC(=O)[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2)n1C 186466184 WXXALKYJQNUIDD-CQSZACIVSA-N 348.834 2.663 0 50 EFAA CC(C)OC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 274309143 WCJWRVFGCRNLCC-HNNXBMFYSA-N 347.411 2.538 0 50 EFAA Cc1nc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cn1C 277589163 GLJVVHNQBORRLD-UHFFFAOYSA-N 349.431 2.888 0 50 EFAA CN1CCO[C@@H]([C@H](NCCc2cccnc2)c2ccc(Cl)cc2)C1 170082422 GTCDEQIXSMVXAZ-RTBURBONSA-N 345.874 2.939 0 50 EFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 408247951 QTOGMBCATNFKTC-GOSISDBHSA-N 347.484 2.851 0 50 EFAA Cc1noc(C[C@H](NC(=O)[C@H](O)c2ccccc2)c2ccccc2)n1 408514699 LTPJWDQBDLSUMY-FUHWJXTLSA-N 337.379 2.512 0 50 EFAA CCOCN(C(=O)CN1C[C@H](C)O[C@H](C)C1)c1c(C)cccc1CC 170598204 HRIXVGKHJRYXAG-CALCHBBNSA-N 348.487 2.994 0 50 EFAA COc1ncc(Cl)c(NCCc2csc(N3CCCC3)n2)n1 170665864 OVFCWUICPCEHOA-UHFFFAOYSA-N 339.852 2.850 0 50 EFAA COC(=O)CCN(CC(C)C)C(=O)C[C@H]1OCCc2ccsc21 170621039 YKZQGVCDTCESAL-CQSZACIVSA-N 339.457 2.800 0 50 EFAA CCc1cccc(OC[C@@H](O)COc2ccc3c(c2)NC(=O)CC3)c1 187351161 OBBJUHCYEHWSOC-MRXNPFEDSA-N 341.407 2.952 0 50 EFAA CS[C@H](C)CNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 187681063 LYZVIECNJNOOLZ-LLVKDONJSA-N 344.427 2.709 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2)c2ccccc2)O1 189031898 OHRIEBBKTCZZEM-MSOLQXFVSA-N 339.391 2.895 0 50 EFAA COC(C)(C)C[C@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 190850511 HECJTHNXMIVYJY-STQMWFEESA-N 337.468 2.691 0 50 EFAA C[C@](O)(CNC(=O)Nc1nnc(C(F)F)s1)C1CCCCC1 192141043 DJDKGAUUCDBACC-ZDUSSCGKSA-N 334.392 2.929 0 50 EFAA COc1ccc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)cn1 192908281 PZDKTFFGYLOJHR-UHFFFAOYSA-N 336.413 2.817 0 50 EFAA CN1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)CC1=O 193151348 HRUPCBIJGXGKIP-AWEZNQCLSA-N 341.436 2.716 0 50 EFAA C[C@H](C(=O)O)N(Cc1cc2c(cc1Cl)OCCO2)C1CCC1 659795001 FLXDVPOQTZBWHF-SNVBAGLBSA-N 325.792 2.939 0 50 EFAA CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1c1ccccc1 663161355 QREVFNDXORUZEV-KURKYZTESA-N 339.439 2.898 0 50 EFAA Cc1nn(Cc2ccc3c(c2)OCCO3)c(C)c1[C@H]1CCCC(=O)N1 664095531 GXPUWCXLYFHFAP-OAHLLOKOSA-N 341.411 2.661 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)c2ccccc21 669435166 WNFTUTUJLLWYEG-YOEHRIQHSA-N 341.338 2.734 0 50 EFAA Cn1cc(-c2cccc(C(=O)NC[C@@H](C(=O)O)c3ccccc3)c2)cn1 738403819 OQGNBKQMMRUVRY-GOSISDBHSA-N 349.390 2.685 0 50 EFAA Cc1cc(=N[C@H]2CCS(=O)(=O)C2)c2cc(C(F)(F)F)ccc2[nH]1 1529113584 GJPUMXBPARDXLZ-NSHDSACASA-N 344.358 2.583 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)CCN21 1615736624 JLAMHDSEMQPVNB-KGLIPLIRSA-N 340.826 2.804 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 1772708913 CZKGRAKVFZYWQN-UKRRQHHQSA-N 333.325 2.675 0 50 EFAA Cc1oc(-c2ccccc2F)nc1CN1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772812047 GUMCFLQTCSUALP-HIFRSBDPSA-N 343.402 2.699 0 50 EFAA COc1cc(OC)c(OC)cc1CNCc1ccc(C(=O)O)cc1 5303410 OATSOSBSZKXORJ-UHFFFAOYSA-N 331.368 2.700 0 50 EFAA CC(=O)c1sc(NC(=O)c2c[nH]c3ccccc3c2=O)nc1C 12421841 BFCKQUCTEGUOIN-UHFFFAOYSA-N 327.365 2.748 0 50 EFAA COc1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C 15001463 ZLNBVIMGLUOPHK-KRWDZBQOSA-N 342.443 2.505 0 50 EFAA Cc1ccc(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc1Cl 1857684755 BYLCLGOMGJLUQZ-UHFFFAOYSA-N 343.818 2.963 0 50 EFAA O=C(CC1CCCC1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857703365 JLNRIQPYYWKPNG-HXUWFJFHSA-N 342.439 2.843 0 50 EFAA O=C(NCCc1cccs1)[C@]1(Cc2cscn2)C[C@@H]2CC[C@H]1N2 1857701053 OLJIAJXUTWNKAJ-MJEQTWJJSA-N 347.509 2.617 0 50 EFAA COc1cccc(-c2ncc(Cn3cnc4cc[nH]c4c3=O)s2)c1 1857730631 XVRWFJYNAWOUSE-UHFFFAOYSA-N 338.392 2.905 0 50 EFAA C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1cc2cc(Cl)ccc2o1 123197264 FXOHQBQJKYTCGW-DTWKUNHWSA-N 329.805 2.697 0 50 EFAA COc1ccccc1OCCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC 336912789 KHIFMUAFQAFKMO-ZACQAIPSSA-N 335.444 2.590 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1C 337152143 MCUGCCABCROBTL-OIISXLGYSA-N 337.847 2.959 0 50 EFAA CCc1ncc(CNC(=O)c2nnn(-c3ccccc3Cl)c2C)o1 456497074 WEDJQBCHVJMVCS-UHFFFAOYSA-N 345.790 2.710 0 50 EFAA CC(=O)NC1CCC(N[C@H](C)c2noc(-c3ccccc3)n2)CC1 133291371 FYBUCYNFAHYBNR-UWTIGNOOSA-N 328.416 2.835 0 50 EFAA Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 133345832 APVHQILRXTZKJL-UHFFFAOYSA-N 339.317 2.871 0 50 EFAA CC(C)(C)N1CCC(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 134680324 ZVKATQTTXGUMAX-QGZVFWFLSA-N 346.475 2.507 0 50 EFAA O=C(O)c1cc(F)ccc1CN1CCOC[C@@H]1CC1CCOCC1 903960964 JPRHEHKYIWBXGA-INIZCTEOSA-N 337.391 2.541 0 50 EFAA O=C(Nc1ccc2c(n1)CCC2)N1Cc2cccnc2N2CCC[C@@H]2C1 931672769 FDDPSCHVQQFERV-MRXNPFEDSA-N 349.438 2.982 0 50 EFAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(Cc2ccccc2)[nH]1 935183686 LAZBKFIYDSVANG-KRWDZBQOSA-N 335.411 2.711 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 4380874 KCACJFWZGHFOBE-MRXNPFEDSA-N 348.399 2.675 0 50 EFAA N[C@]12C[C@H]1CN(c1nn3cc(-c4ccc(Cl)cc4)nc3s1)C2 2325772610 GIXJRRTVNAXZBG-BONVTDFDSA-N 331.832 2.649 0 50 EFAA Cc1nc(C2CCNCC2)[nH]c1C(=O)Nc1cc2ccccc2cn1 2325780022 BBJGZPHJQGANJW-UHFFFAOYSA-N 335.411 2.986 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)c2ccc(F)c(C)c2)Cc2ccccc21 2325869030 WMHLPMNPSHYPTE-SFHVURJKSA-N 326.371 2.967 0 50 EFAA O=C(Cc1cccc(Cl)c1)N1CCC(N2CCCCC2=O)CC1 120176591 ZTWGIWTWIJKUMI-UHFFFAOYSA-N 334.847 2.886 0 50 EFAA Nc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1 436098 UQIAOINDLAFVMA-RISCZKNCSA-N 327.306 2.522 0 50 EFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccn1 620912 REMYWSNKZZITLZ-LLVKDONJSA-N 335.201 2.928 0 50 EFAA COC(=O)c1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1 3559200 BPHCSJKZCWYRHH-UHFFFAOYSA-N 329.352 2.672 0 50 EFAA O[C@@H]1CCN(c2nccn3c(-c4cccc5ncccc45)cnc23)C1 2356162465 KOBCGJYUGYJAMU-CYBMUJFWSA-N 331.379 2.516 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1O 2356169616 FALLNNOBIOEZCL-DOTOQJQBSA-N 341.810 2.917 0 50 EFAA Cc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)o1 4839664 JTPKOOFHDPMDJN-HNNXBMFYSA-N 348.424 2.809 0 50 EFAA COCCOc1ccc(C(=O)Nc2cccc(OCCOC)c2)cc1 10155357 UAPBKBICTACDEZ-UHFFFAOYSA-N 345.395 2.989 0 50 EFAA Cc1ccc([C@H](CC(=O)N2CCN(C)C(=O)C2)c2ccccc2)cc1 55074241 XNDZKSKIQLANDQ-LJQANCHMSA-N 336.435 2.818 0 50 EFAA CCN(Cc1cnn(C)c1)C(=O)CC(=O)Nc1cccc(Cl)c1C 55035866 WSCUAUWCHARGLL-UHFFFAOYSA-N 348.834 2.759 0 50 EFAA Cc1ccc2sc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)c(C)c2c1 346240202 GZJSWAQTGPTRMO-LSDHHAIUSA-N 330.453 2.673 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)cc1 100865055 JVRPKCBZICDGAM-CTQRGLTFSA-N 343.379 2.715 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCO[C@H](c2cccc(O)c2)C1 135219612 UXOBOQKZTLRXNO-SFHVURJKSA-N 338.363 2.676 0 50 EFAA COc1ccc(C)cc1NC(=O)NC[C@H]1CCN(C2CCOCC2)C1 67432393 SZMZYZTYTLXTTP-OAHLLOKOSA-N 347.459 2.626 0 50 EFAA Cc1cc(=O)oc2cc(CN(C)Cc3nncn3C(C)C)ccc12 67981673 RWQNBAFWISYMOJ-UHFFFAOYSA-N 326.400 2.906 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348244824 NQNHFKSPILVXPK-GUYCJALGSA-N 349.381 2.572 0 50 EFAA Cc1occc1-c1noc([C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 350468303 VRRIUKAHYZKCLK-LSDHHAIUSA-N 343.383 2.547 0 50 EFAA CCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O 170623878 LJNGTDKTAQJAFI-NSHDSACASA-N 339.335 2.627 0 50 EFAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)CCC1CCCC1)CC2 67868947 LXWVXTBSKHUNLC-UHFFFAOYSA-N 345.443 2.846 0 50 EFAA CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-c2nncs2)cc1 252496318 PGPNPTJHNFNTJW-GHMZBOCLSA-N 347.444 2.630 0 50 EFAA CC[C@H]1CN([C@@H](CC)C(=O)NCCOC2CCCCCC2)CCO1 252507771 WTPYTJMIHCGRQE-WMZOPIPTSA-N 340.508 2.731 0 50 EFAA CCCn1cc(CN(Cc2scnc2C)C[C@H]2CCNC2)cn1 328634965 MZWVCHRJNLYZJS-HNNXBMFYSA-N 333.505 2.670 0 50 EFAA O=C1C[C@H](c2ccc(-c3cc[nH]n3)o2)c2c(-c3ccccn3)n[nH]c2N1 67847501 XPJCTVVSLZPSLU-SNVBAGLBSA-N 346.350 2.929 0 50 EFAA CN(C)c1cnc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)cn1 329294307 JPXUDFIGHYEOHB-AWEZNQCLSA-N 337.427 2.562 0 50 EFAA C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccc3c(c2)OCO3)O1 87956 UCRUBPDEEMLHSM-KZULUSFZSA-N 327.336 2.907 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2c2nccc(C(F)(F)F)n2)c1 283593008 SEILKQRNGYONCR-WCQYABFASA-N 339.317 2.816 0 50 EFAA COc1cccc(NC(=O)[C@H](C)Cn2cc(Br)cn2)c1 2795731 QVYHGRVVVZVOFD-SNVBAGLBSA-N 338.205 2.929 0 50 EFAA c1nc(N2CCCC2)cc(N2CCC(OC[C@H]3CCCCO3)CC2)n1 253433405 WLSFTMOZXMFUOM-QGZVFWFLSA-N 346.475 2.631 0 50 EFAA CC1=NN(Cc2c(Cl)cccc2Cl)C(=O)[C@H]1C(=O)NC1CC1 155570456 SKQDFHNKSIGSQZ-CYBMUJFWSA-N 340.210 2.606 0 50 EFAA COCc1nsc(NC[C@H]2CCN(c3ccccc3OC)C2)n1 253420382 UPUPEKQXEZFFJE-GFCCVEGCSA-N 334.445 2.632 0 50 EFAA COc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)ncn2)c1 253418638 ZOWBONUBWPTEBU-QGZVFWFLSA-N 340.427 2.663 0 50 EFAA COC(=O)c1cccc(-c2nc(CN3CCCC[C@H]3CO)cs2)c1 253425708 DRACQNOTCPBXBJ-INIZCTEOSA-N 346.452 2.944 0 50 EFAA COC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 5814234 KPGHLALSFXFXCX-HNNXBMFYSA-N 341.363 2.758 0 50 EFAA O=C1NCCN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 438935715 JJUKRZRNHDCCOZ-UHFFFAOYSA-N 331.375 2.868 0 50 EFAA Cc1ccccc1-c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2O)n(C)n1 153551744 MIEMWHHQJKEYRS-ZBFHGGJFSA-N 328.416 2.821 0 50 EFAA Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)n1 363350239 WCVVIRKISPTDTG-KRWDZBQOSA-N 340.471 2.623 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2cccc(F)c2)cc1 72418576 UZAMDGXLHYUDCV-SFHVURJKSA-N 345.414 2.993 0 50 EFAA CN(C)c1ccnc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1 173632094 QLJJGHYQUVQAMW-SFHVURJKSA-N 338.455 2.889 0 50 EFAA Cn1nccc1N1CCC[C@H](NCc2cc(F)cc3cccnc23)C1 369645880 DBQMNPUGJDKOGP-KRWDZBQOSA-N 339.418 2.866 0 50 EFAA O=C1NCCN(C(=O)c2cccc3cc[nH]c23)[C@@H]1c1ccccc1F 374947233 PAINYFXTXLXRES-QGZVFWFLSA-N 337.354 2.620 0 50 EFAA CN1CCC[C@H](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 72424185 UVMVWPLYAAMFIE-QGZVFWFLSA-N 332.488 2.852 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@](CNc4ccccc4)(O3)[C@@H]2C(=O)N1c1ccccc1 222336330 DVLWUFGRPQZUNT-WIRSXHRWSA-N 346.386 2.612 0 50 EFAA CSc1ncccc1C(=O)NCCc1nc(C)c2c(n1)CCCC2 220346731 MXYLTUASJNXSGH-UHFFFAOYSA-N 342.468 2.753 0 50 EFAA CN1Cc2ccc(CN(C)C(=O)Cc3ccc4c(c3)OCO4)cc2C1 222619100 WNBDOGMQEYKAOU-UHFFFAOYSA-N 338.407 2.562 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOc2cccc(F)c21 161575074 RCLLCJAQORMNOP-NSHDSACASA-N 331.391 2.780 0 50 EFAA O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc[nH]n2)CC1 82978857 LLZVUFZRRWPKOC-UHFFFAOYSA-N 339.424 2.948 0 50 EFAA O=C(c1cnn(CCC(F)(F)F)c1)N1CCOC[C@H](C2CCC2)C1 292576372 PBPJKHJOELRHHL-CQSZACIVSA-N 345.365 2.724 0 50 EFAA COc1ncc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)c(N)n1 293030566 NPDPJSPPKMIHEM-VHSXEESVSA-N 345.309 2.667 0 50 EFAA COc1ccc(CCN[C@@H](CO)COc2cccc(C)c2)cc1OC 96028204 NXEPCYASZROQQK-KRWDZBQOSA-N 345.439 2.584 0 50 EFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3nc(C4CC4)no3)[nH]n2)s1 92065951 FIWHKYNOXLWXSP-UHFFFAOYSA-N 343.412 2.979 0 50 EFAA CSc1ccc([C@@H](C(=O)O)N(C)Cc2noc(C3CC3)n2)cc1 95360594 GAQNWZPOSKURNN-AWEZNQCLSA-N 333.413 2.927 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(F)(F)CC1 95630470 NARCRNHDVCXLIF-AWEZNQCLSA-N 325.355 2.712 0 50 EFAA CCOCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1)C2 95390379 ITDUUBDBPXGBGU-ZWKOTPCHSA-N 346.471 2.545 0 50 EFAA 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NQVBJXQZCMJSHG-SFHVURJKSA-N 345.512 2.898 0 50 EFAA C[C@H]1CC[C@H](NC(=O)N[C@H](C)c2cccc(Cl)c2)CS1(=O)=O 664744696 KKCLGUVNBLOZSP-WDMOLILDSA-N 344.864 2.666 0 50 EFAA O=C(O)c1cc(S(=O)(=O)Nc2c(O)cccc2Cl)cs1 647919064 KQQNRMNSVBWRED-UHFFFAOYSA-N 333.774 2.606 0 50 EFAA O=C(CN1CCCC1=O)Nc1cc(F)c(Br)cc1Cl 240540882 GPYAAYCSZDEXJE-UHFFFAOYSA-N 349.587 2.803 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc(CC(F)(F)F)c1 1772819806 UJSFLTCNVLRDKG-WFASDCNBSA-N 326.362 2.987 0 50 EFAA c1ccc2c(c1)Cn1c(CCc3nc4ccccc4[nH]3)nnc1CO2 1772815190 YRFKMRFBEIZSIH-UHFFFAOYSA-N 331.379 2.880 0 50 EFAA O=C1CN(C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CCN1 11839916 BBOZQRSNLIDVLJ-INIZCTEOSA-N 342.826 2.820 0 50 EFAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCSCC2)no1 12206996 HRAVQQCUOHPALY-UHFFFAOYSA-N 348.424 2.760 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC1CCCCC1)C2 12571571 PDHAXWJSIJCYJC-JTQLQIEISA-N 349.456 2.686 0 50 EFAA CCc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)on1 12715275 CYOLIFBSENDFRB-QGZVFWFLSA-N 327.428 2.674 0 50 EFAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1C1CCCC1 13692405 SVPWUPCKXXKPOY-UHFFFAOYSA-N 332.367 2.616 0 50 EFAA Cc1[nH]nc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1Cl 1875240089 HVXRXQYKACLLQA-NVXWUHKLSA-N 346.862 2.629 0 50 EFAA Cn1c(-c2ccc([C@@H]3CNC(=O)C3)cc2)nc2cc(C(=O)O)ccc21 1875243060 NWSWYTMMWCNIFG-AWEZNQCLSA-N 335.363 2.542 0 50 EFAA Cc1nc(CN2CCC(CNC(=O)c3ccc(C)n3C)CC2)cs1 111042534 WNWSNTRVILOMHF-UHFFFAOYSA-N 346.500 2.740 0 50 EFAA COC[C@@H](Cc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C 660787280 QONMYKKECMHLRR-NVXWUHKLSA-N 332.444 2.597 0 50 EFAA CN(CCN1CCCCC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 844464442 OFRBWPKXAZUXCQ-UHFFFAOYSA-N 346.443 2.601 0 50 EFAA CCc1nc(NC(=O)Cn2cc(C(=O)O)cn2)sc1C(C)(C)C 910676164 WJVSKMZOAMDQLV-UHFFFAOYSA-N 336.417 2.536 0 50 EFAA C[C@H](NC(=O)c1csc2cncn12)[C@H]1OCCc2sccc21 816722586 BBCIHIMLONTVDY-LKFCYVNXSA-N 333.438 2.890 0 50 EFAA CNC(=O)c1ccc(CN2CC=CCN2C(=O)OC(C)(C)C)cc1 823833543 OWGBAJKUJKGJDB-UHFFFAOYSA-N 331.416 2.570 0 50 EFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cccc3[nH]c(=N)sc13)CCC2 2100557483 VFWYHBRPKNVQKK-LLVKDONJSA-N 341.440 2.558 0 50 EFAA O=C(O)c1csc([C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 2325769516 NCYSZGSVAHZQIY-NSHDSACASA-N 336.438 2.852 0 50 EFAA O=C(O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc3ncccc3s2)CC1 2325788195 RZCVEISBHNCXEK-PBHICJAKSA-N 346.452 2.998 0 50 EFAA Cn1cc(NS(=O)(=O)c2cccc3cccnc23)c(C(F)F)n1 2325827772 QDBSIFRJPRNKPQ-UHFFFAOYSA-N 338.339 2.707 0 50 EFAA CO[C@@H]1CC[C@@H]1Cc1nc(-c2cnn(Cc3ccccc3)c2)nn1C 2325849436 PMHWLSBXTMHHBS-NVXWUHKLSA-N 337.427 2.694 0 50 EFAA CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 22215362 FDQXBEJKROSSAB-AWEZNQCLSA-N 347.367 2.728 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)n2c(C)nc3ccccc32)c1 283163 ABQFNZLWSTVXIY-UHFFFAOYSA-N 332.381 2.599 0 50 EFAA COc1ccc2oc(=O)c(C(=O)NCc3ccc(F)cc3)cc2c1 424122 DFIOMDHBYPIALK-UHFFFAOYSA-N 327.311 2.871 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)OCO2 1013280 PHZZQDWNAKFMDF-UHFFFAOYSA-N 327.292 2.599 0 50 EFAA Cc1nc(N2CCc3nc(-c4ccccc4)nn3CC2)nc(C)c1C 2356142699 DBHUQUKMTUZIIZ-UHFFFAOYSA-N 334.427 2.723 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc3cccc(Cl)c3n1C)C2 2356168627 LCUJUSRYIGAGSG-UGSOOPFHSA-N 348.830 2.567 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4511088 UOYXBPVVWWIHAH-NSHDSACASA-N 342.326 2.546 0 50 EFAA O=C(COCc1ccccc1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225681207 DYUOMZRFZGSPCU-ROUUACIJSA-N 329.371 2.677 0 50 EFAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)c1 10132044 UCGPXESOVICHCR-UHFFFAOYSA-N 335.363 2.558 0 50 EFAA CCCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741300 VXVKUWUTPMZHAP-NSHDSACASA-N 338.477 2.714 0 50 EFAA Cc1c(C)n(Cc2ccco2)c2ncnc(NCCCC(=O)O)c12 9970661 MRCFIUXRXYDGIO-UHFFFAOYSA-N 328.372 2.966 0 50 EFAA CC(C)CCC1=NC(=O)C2(CCN(C(=O)[C@@H]3CC34CCCC4)CC2)N1 55053455 FSQAVOZBGJXUFQ-HNNXBMFYSA-N 345.487 2.892 0 50 EFAA CCOC(=O)[C@]1(C)C(Br)=C(O)C(=O)N1c1ccccc1 20029327 BFWZGZLHESZCKJ-AWEZNQCLSA-N 340.173 2.520 0 50 EFAA 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C[C@H](CC(=O)N1CCC(O)(Cc2cc[nH]n2)CC1)c1ccc(F)cc1 1776005174 BEBXYCKHPRCFQO-CQSZACIVSA-N 345.418 2.639 0 50 EFAA COc1ccc([C@@H](C)CNC[C@@H]2CCO[C@H]2c2ccnn2C)cc1 275359160 ASUBCCLZMOUIJJ-URLQWDBASA-N 329.444 2.900 0 50 EFAA C[C@H](NC(=O)N1CCSCC[C@H]1C)c1cn(-c2ccccc2)nn1 170090350 YRBJSJDHBOVBTJ-KGLIPLIRSA-N 345.472 2.865 0 50 EFAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@@H](O)C1 170606476 YCRIAUDPRLDZKH-GDBMZVCRSA-N 328.416 2.789 0 50 EFAA COC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 279318465 CICRUGWNKZFEIX-OLZOCXBDSA-N 333.306 2.509 0 50 EFAA CCC[C@@H](C)CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 408521636 AIRBDLVHDSIIGY-CQSZACIVSA-N 342.480 2.691 0 50 EFAA CCN(CC)CCSCC(=O)NCc1ccc(O)c2ncccc12 408522686 LOHWSXPELIMSRT-UHFFFAOYSA-N 347.484 2.632 0 50 EFAA CN(C)c1nc(Cl)c(C(=O)N2CCO[C@H](C(C)(C)C)C2)s1 408519775 ZZVCOEKHVNLIAS-VIFPVBQESA-N 331.869 2.750 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CC[C@@](O)(C(F)(F)F)C1 225234395 JDPONEUUFFGWTL-GYSYKLTISA-N 333.737 2.969 0 50 EFAA 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338.407 2.793 0 50 EFAA CC(C)CCn1c(CN2[C@H]3CC[C@@H]2CC(=O)NC3)nc2ccccc21 65404153 XQNBXNKICAXBQT-CVEARBPZSA-N 340.471 2.935 0 50 EFAA COCC1(N(C)C(=O)c2cc(CN(C)Cc3ccccc3)on2)CC1 67770998 LVQXHWXVESXSEW-UHFFFAOYSA-N 343.427 2.558 0 50 EFAA O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1C[C@@H](F)C[C@H]1CO 331544726 SMQVFDMWRSBGCG-UWVGGRQHSA-N 346.280 2.611 0 50 EFAA CCOCCCN1CC[C@@H](NC(=O)NCc2ccccc2)[C@@H](C)C1 229698327 ABKPOOFAULBHOW-FUHWJXTLSA-N 333.476 2.623 0 50 EFAA O=C(Nc1ccc(-c2ccccc2)nn1)N1CC[C@H](N2CCCC2)C1 120338135 PNJSLQPSAJHYCH-INIZCTEOSA-N 337.427 2.846 0 50 EFAA CCn1ncc(NC(=O)c2ccc(Cl)cc2Cl)c1C(N)=O 2797570 PEEOJDCJAIOCHW-UHFFFAOYSA-N 327.171 2.561 0 50 EFAA O=C(Nc1ccccc1-n1cnnn1)c1cc(F)cc2cccnc12 253416242 HEPNBXUSTFEFKI-UHFFFAOYSA-N 334.314 2.602 0 50 EFAA Cc1ccnc(N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)n1 328625126 CTPGNNUYKWNFPC-OAHLLOKOSA-N 326.448 2.717 0 50 EFAA O=C(O)c1ccn(-c2cccc(CNC(=O)[C@H]3Cc4ccccc43)c2)n1 358687742 JQDJVCUVMAZCNV-KRWDZBQOSA-N 347.374 2.527 0 50 EFAA OC1(Cc2cccc(F)c2)CCN(Cc2cnc3[nH]ccnc2-3)CC1 365655059 UFCCUPBKVMPQBP-UHFFFAOYSA-N 340.402 2.618 0 50 EFAA CN(Cc1ccsc1)Cc1cc2n(n1)CCN(c1ccncc1)C2 72454764 ZSYVEKNQCNANRU-UHFFFAOYSA-N 339.468 2.992 0 50 EFAA O=C(C[C@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 72426876 XSVIEOKVBJQKAT-AWEZNQCLSA-N 344.427 2.597 0 50 EFAA Fc1ccc(F)c(N2CCN(c3ncnc4c3CCCC4)CC2)c1 153430527 VGJQZYNXFDZPLC-UHFFFAOYSA-N 330.382 2.960 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@H](N2CCCC2=O)C1 125477532 UKGKQLKZDMUTBG-CQSZACIVSA-N 338.810 2.635 0 50 EFAA CC(C)n1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cn1 77375507 FLYQLHYXFAUEQS-SFHVURJKSA-N 326.444 2.593 0 50 EFAA CN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(F)cc1 366783422 YNSUAPZROWJZJV-WMLDXEAASA-N 329.375 2.866 0 50 EFAA c1cncc([C@H]2OCC[C@@H]2NC2CCN(Cc3cscn3)CC2)c1 367462557 GSJJOLWETPLKMD-ZWKOTPCHSA-N 344.484 2.622 0 50 EFAA Cc1ncsc1CCS(=O)(=O)N(C)C1CCC(F)(F)CC1 333082131 MGUIGXGVWHGIRK-UHFFFAOYSA-N 338.445 2.834 0 50 EFAA COc1ccc(-c2nc(CN3CCC(=O)NC[C@H]3C)c(C)o2)c(F)c1 71761177 CCHUWRSCLATNPW-LLVKDONJSA-N 347.390 2.508 0 50 EFAA CNC(=O)C1(NC(=O)c2ccc3cccc(F)c3n2)CCCCC1 215122770 LPOFOUUDXZXBCK-UHFFFAOYSA-N 329.375 2.553 0 50 EFAA COc1ccc2cc(CNC(=O)[C@@H]3CC[C@H](C(=O)O)C3)ccc2c1 261725148 LMHSGKKXLKNAEB-CVEARBPZSA-N 327.380 2.966 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 77287077 WOZIKSXHBBJKNJ-HNNXBMFYSA-N 338.415 2.548 0 50 EFAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCC(=O)NC[C@H]1C 71763171 OOSXJMNSRSADRJ-SNVBAGLBSA-N 335.354 2.639 0 50 EFAA CN(C)c1cccc(C(=O)Nc2ncc(C3CCNCC3)s2)c1 262106875 UEJXMEINKALZRL-UHFFFAOYSA-N 330.457 2.928 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C(=O)Cc2cc(C)ccc2C)C1 219598913 JWSUKIGWUDQSHU-LJQANCHMSA-N 333.428 2.576 0 50 EFAA O=C(N1CCC[C@H](O)CC1)C1(c2ccccc2Br)CC1 341451538 ARMVEDYPYSOKBF-LBPRGKRZSA-N 338.245 2.854 0 50 EFAA Cc1cccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)c1 72437289 BRMAPGILLUNGSC-UHFFFAOYSA-N 340.423 2.640 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccccc1F)N(C)C 219666989 FEKSREASGHMCHT-QGZVFWFLSA-N 345.418 2.765 0 50 EFAA COC(=O)c1cscc1NC(=O)N1CCC[C@H]1c1noc(C)n1 242147463 WSBFGHIWIALQPZ-NSHDSACASA-N 336.373 2.595 0 50 EFAA O=C1CC[C@H]2CN(C/C=C/c3ccccc3)CC[C@H]2N1CCCCO 72439136 IEOXLQSDAODYNK-XCBOUCJHSA-N 342.483 2.785 0 50 EFAA O=C(CSC(=S)N1CCCCC1)n1ncc2ccc(O)cc21 43198629 CGZGBTZQJKERJA-UHFFFAOYSA-N 335.454 2.886 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(Cl)c[nH]2)n1 426401751 LWWHDZJUWVMTPF-UHFFFAOYSA-N 332.713 2.758 0 50 EFAA COc1cccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)c1 82121617 IMFSZOQRJHVWQP-UHFFFAOYSA-N 337.423 2.776 0 50 EFAA COCc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)o1 220549402 ORCFKECZJSKMRU-NBMJBFSESA-N 341.407 2.802 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1occc1Br)c1ccccc1 178278538 UXBSBRFPBWTYNR-LLVKDONJSA-N 338.157 2.988 0 50 EFAA Cn1cc(C(=O)Nc2nc(C3CCOCC3)cs2)c(C2CC2)n1 292169866 FWTSTGKPNXTGLF-UHFFFAOYSA-N 332.429 2.900 0 50 EFAA CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)NCCc1ccccn1 292808042 WXQDRKWYJXKYGR-GDBMZVCRSA-N 347.459 2.681 0 50 EFAA COc1ccc(Br)c(C(=O)NCC[C@H](C)CCO)c1 295614439 QZPKFKSULFCKHP-JTQLQIEISA-N 330.222 2.596 0 50 EFAA CCn1ccnc1C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 97505681 VLKNXPPAPYCOEM-QGZVFWFLSA-N 339.439 2.860 0 50 EFAA O=C(NCc1cnc2c(c1)CCC2)c1nc2ccc(Cl)cn2c1F 426739099 SQMHWNHPGPQBED-UHFFFAOYSA-N 344.777 2.941 0 50 EFAA C[C@H](NC(=O)N1CCOc2ccc(Cl)cc2C1)c1cnn(C)c1 426428217 DJSFMXCJFQDMPK-NSHDSACASA-N 334.807 2.739 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccccc1-c1nccn1C 426658411 OPEVFPQCJRDCLZ-UHFFFAOYSA-N 337.427 2.742 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc3cc(C)oc13)C2 95388295 ZRDZBCUEJNKCTO-NVXWUHKLSA-N 342.439 2.924 0 50 EFAA CNC(=O)Cn1cc(-c2cc(OC(F)(F)F)ccc2Cl)cn1 96162007 MZMNTHHPEOGTDT-UHFFFAOYSA-N 333.697 2.848 0 50 EFAA Cc1cccc(OCCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1C 181180558 JZUOMIKPUKHRAB-OAHLLOKOSA-N 328.416 2.944 0 50 EFAA Cc1cc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)nc(N)n1 92066709 SKSDGCBNRPDISR-IBGZPJMESA-N 343.475 2.519 0 50 EFAA Cc1nn(C)c2nc(NCc3nc(Cc4ccccc4)no3)sc12 95509472 UPMDHQDOXFASEH-UHFFFAOYSA-N 340.412 2.924 0 50 EFAA Cc1ccccc1N1CCCN(c2cc([C@H]3C[C@H](N)C3)ncn2)CC1 244574946 CTZKEHWEGNPAMR-QAQDUYKDSA-N 337.471 2.706 0 50 EFAA CC(C)Cn1ncnc1CN1CCC[C@H](CN2CCC(C)CC2)C1 182719454 NFGLFJXCWKJARF-GOSISDBHSA-N 333.524 2.878 0 50 EFAA CC(=O)Nc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 253977900 UQYJMFICPDIHSF-FCIDVOKBSA-N 348.786 2.760 0 50 EFAA Cc1ccccc1CSCC(=O)N1CCN(C2CCCC2)C(=O)C1 299789854 AMMNWRGNORGLQS-UHFFFAOYSA-N 346.496 2.842 0 50 EFAA O=C(c1scc2c1OCCO2)N1CCO[C@H](c2ccccc2)C1 654437153 PFUYTJYNRRAIAX-ZDUSSCGKSA-N 331.393 2.733 0 50 EFAA CC(C)C[C@H](c1ncnn1C)n1cnc2cccc(Cl)c2c1=O 584890876 SNJNBUSCWBMWCF-CYBMUJFWSA-N 331.807 2.814 0 50 EFAA Cn1ccc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 271268310 IYMOVYZDSFXFBT-CABCVRRESA-N 325.334 2.747 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CC1 1875365066 LVSUUMDMWDRSQR-MRXNPFEDSA-N 346.402 2.580 0 50 EFAA Cc1cccc(CNC(=O)c2ccc(N3C[C@H](C)N[C@H](C)C3)nc2)c1 1875323922 WMXYPDYDCFTJLC-IYBDPMFKSA-N 338.455 2.507 0 50 EFAA O=C(O)C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cn2)C2(CC2)C1 1875305370 BRJRKRQUEVXJPE-JTQLQIEISA-N 340.326 2.543 0 50 EFAA CC(C)c1nsc(NC(=O)c2ccc(N3CCOCC3)cc2)n1 874696831 PCWIFICQIHOGOQ-UHFFFAOYSA-N 332.429 2.750 0 50 EFAA CC[C@@H](CC1CCCCC1)C(=O)N1CCC(O)(c2ncnn2C)CC1 952993761 LYAIGTKMBPTYDN-INIZCTEOSA-N 348.491 2.622 0 50 EFAA CCc1onc(C)c1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096547 LPLUMHATTSHTAS-FZMZJTMJSA-N 329.360 2.570 0 50 EFAA Cc1nc(CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cs1 886056873 DJDIUZCOAHWRSZ-KRWDZBQOSA-N 332.473 2.561 0 50 EFAA CO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCC(c3ccon3)CC2)C12CCC2 888101320 IYUXHLGQDDSAKV-VBNZEHGJSA-N 333.432 2.767 0 50 EFAA COc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[C@H]1C(F)F 1773429526 SETNAQPMLFMBTR-RYUDHWBXSA-N 326.343 2.958 0 50 EFAA O=C(NCc1ccnc(-c2ccccc2)c1)N[C@H]1COC[C@H]1C1CC1 896041875 RNJZLHNMZICBKS-HKUYNNGSSA-N 337.423 2.973 0 50 EFAA Cc1nsc(I)c1C(=O)N[C@@H](C)C1CC1 1775996701 FCXBLDFUYLGLTG-YFKPBYRVSA-N 336.198 2.584 0 50 EFAA CNC(=O)[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1 1776002173 YUPPOQKEBQJQFI-FBRRREGBSA-N 345.402 2.852 0 50 EFAA CC(=O)c1c(C)cc(OC(=O)c2cc(C)c(C(N)=O)cn2)cc1C 1462535722 ZUPKSPBKRHDTFB-UHFFFAOYSA-N 326.352 2.528 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1 275343407 LPWGXEWMPXFTJY-KBPBESRZSA-N 337.782 2.956 0 50 EFAA CCc1cc(=O)[nH]c(-c2ccc(N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)nc2)n1 169994507 NLTCPPQIQFGNKB-XYPHTWIQSA-N 340.427 2.620 0 50 EFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 408343211 OAEOUMOOHJEGBQ-RYUDHWBXSA-N 332.425 2.632 0 50 EFAA O=C(O)c1ccc(CNC(=O)c2csc([C@H]3CCCO3)n2)cc1 192415325 UASCFFYYMHSCPK-CYBMUJFWSA-N 332.381 2.623 0 50 EFAA Cc1ccn2cc(CNC[C@@H]3CCCO[C@H]3c3ccnn3C)nc2c1 657346475 CREGGIZAZIKOKR-HNAYVOBHSA-N 339.443 2.634 0 50 EFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cnn(C(C)C)c1N 798119414 ZDFFDMZFFSSVFR-AWEZNQCLSA-N 330.436 2.630 0 50 EFAA Cc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c2cccnc12 1704327943 VKQFRWGKWLCZEB-TZIWHRDSSA-N 339.483 2.822 0 50 EFAA Cc1nc(Cc2c(C)nn(-c3ccccc3)c2C)n([C@H]2CCOC2)n1 1772819343 JUZUMCOFEPXGSX-KRWDZBQOSA-N 337.427 2.941 0 50 EFAA CSCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 11785824 VIQQUTOYYUAURW-CQSZACIVSA-N 328.437 2.840 0 50 EFAA O=C1C[C@H](c2ccc(-c3ccc(C4(O)CCNCC4)cc3)cc2)CN1 1857721626 YRBCLESSWDNQBE-SFHVURJKSA-N 336.435 2.528 0 50 EFAA O=C(Nc1cc(-c2cccc(Cl)c2)on1)N[C@H]1CC[C@@H](C(=O)O)C1 647700584 ONNRHWBNBWYZJV-PWSUYJOCSA-N 349.774 3.370 0 50 EFAA COc1ncc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1Cl 459012554 QWXRSKCRWJHBEF-LBPRGKRZSA-N 349.822 2.556 0 50 EFAA CCn1ncnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 249695004 QDJXJQZEMCWVGC-MOPGFXCFSA-N 336.439 2.802 0 50 EFAA CC(C)[C@H](NC(=O)COc1cccnc1)c1ccc2c(c1)OCCO2 263937592 TYISOPQKFKYYNH-IBGZPJMESA-N 342.395 2.745 0 50 EFAA O=S(=O)(Nc1cccc(C2CC2)n1)c1ccnn1CC1CCC1 903633768 GTPRTUFGMOHRIU-UHFFFAOYSA-N 332.429 2.756 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2csc3ccccc23)C[C@H]1O 1704306541 OHAJKFZKJCCFEN-QAPCUYQASA-N 347.436 2.979 0 50 EFAA Cc1nn(Cc2ncc(C(C)(C)C)o2)c(C)c1[C@H]1COCCN1C 852962434 GCSXXPXKBABQNE-CQSZACIVSA-N 332.448 2.837 0 50 EFAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCC(O)(C(F)F)CC1 935499237 VYOYYSWTMCVIKZ-UHFFFAOYSA-N 334.366 2.838 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Br)c2)C1 31023 WNABICOXDCMUMU-LBPRGKRZSA-N 340.217 2.864 0 50 EFAA C[C@@H]1C[C@H](CS(=O)(=O)N(C)[C@H]2CCc3ccccc3C2)CCO1 1464804602 LNMKRWGWALGRBK-RKVPGOIHSA-N 337.485 2.621 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2c(C)n[nH]c2C)cc1Cl 304752 AJDICCDCAKMOST-UHFFFAOYSA-N 338.820 2.815 0 50 EFAA CCOc1cccc(N2C(=O)C[C@@H](n3cnc4ccccc43)C2=O)c1 100144211 LSOGAVCJTPLHIE-QGZVFWFLSA-N 335.363 2.940 0 50 EFAA CCC1(C)CCC(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1 2325746335 CVWSEJWGGQSKAB-HFCFLWKCSA-N 348.491 2.961 0 50 EFAA O=C(c1nncc2ccccc12)N1CCCN[C@@H](c2ccccc2)C1 2325783309 MVUDADFLNQPKJW-GOSISDBHSA-N 332.407 2.807 0 50 EFAA C[C@@H]1CCC[C@@H]1CC(=O)NCC[C@](O)(c1ncco1)C(F)(F)F 2325784292 QPBXRIKKGPQSAW-GYSYKLTISA-N 334.338 2.757 0 50 EFAA CCC[C@@H](C(=O)N[C@H](C)c1ncon1)n1sc2ccccc2c1=O 2325784818 LVGMDGSJSKKTKS-PWSUYJOCSA-N 346.412 2.665 0 50 EFAA CCCn1ccnc1CN1CCC[C@H](c2nc(C(=O)O)cs2)C1 2325787789 WVSGMLAJBPPNFS-LBPRGKRZSA-N 334.445 2.827 0 50 EFAA C[C@H](NCCn1cnc2sccc2c1=O)c1cccc2[nH]ncc12 2325858654 WBFJCVMNHXOECP-NSHDSACASA-N 339.424 2.685 0 50 EFAA Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1 300222 ZMAHMCAHODKBCM-UHFFFAOYSA-N 326.396 2.757 0 50 EFAA O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1 418376 HIKRKFWWIFACIF-UHFFFAOYSA-N 344.172 2.677 0 50 EFAA COc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1Cl 1075926 MVZXEPPSVQVLBM-UHFFFAOYSA-N 336.750 2.856 0 50 EFAA COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccccc3)c2c1 4487666 YKYHIPLHJFINIQ-UHFFFAOYSA-N 330.409 2.698 0 50 EFAA biogenic,in-vitro COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6700793 RDOJYTBAMLVGJG-CQSZACIVSA-N 344.411 2.593 0 50 EFAA O=C(Cc1noc([C@H]2COc3ccccc3C2)n1)NCc1ccccc1 225554936 CREQKFGBTCMSNH-MRXNPFEDSA-N 349.390 2.647 0 50 EFAA CCS(=O)(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2)cc1 225518710 DNIRFFNHJHQIGB-CYBMUJFWSA-N 332.425 2.919 0 50 EFAA O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCCN2CCC[C@H]2C1 247798963 DVTWDJFMHAZDHS-ZBFHGGJFSA-N 334.847 2.588 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1nncn1C 248243591 IJLXTAVHSWVCNP-TVYUQYBPSA-N 349.232 2.559 0 50 EFAA Cc1nc(CC(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)cs1 65463363 FKQRQALXTZYDLH-LLVKDONJSA-N 332.425 2.985 0 50 EFAA CN1CCN(C(=O)c2ccnc(-c3cccc4cnccc34)c2)CC1 65417303 HHSSKFWZKPODGE-UHFFFAOYSA-N 332.407 2.684 0 50 EFAA CCN(CCOC)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 67868903 RHKIKOHBRVESTN-UHFFFAOYSA-N 340.326 2.640 0 50 EFAA COc1ccc(CN(C)C(=O)CCN2CCC[C@H](C)C2)cc1OC 20999784 YXHSLUYAGKCZOX-HNNXBMFYSA-N 334.460 2.784 0 50 EFAA C[C@H]1CN(C2CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2)C[C@@H](C)O1 67789600 WAPFOLFTKWGKAL-GASCZTMLSA-N 334.508 2.781 0 50 EFAA C[C@H](NC(N)=O)c1noc(CCCc2cccc(C(F)(F)F)c2)n1 350504441 IYDTYXAXVCQIHX-VIFPVBQESA-N 342.321 2.993 0 50 EFAA C[C@@H]1C[C@H](N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C(=O)O1 229428196 WHTGRZXJVVQJTL-KYOSRNDESA-N 345.374 2.759 0 50 EFAA CCOC(=O)c1nc(CC)oc1NC(=O)[C@H]1CCCc2cccnc21 252484385 FVCJGKJOUSIZIW-LBPRGKRZSA-N 343.383 2.867 0 50 EFAA COC[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 172627703 FQERELJWQXXJHR-SNVBAGLBSA-N 343.210 2.962 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@@H](C)n1cnc2ccccc21 65433243 YVOQUGYOYZTOIV-LLVKDONJSA-N 329.429 2.889 0 50 EFAA Cc1nc(CC(=O)N(C)Cc2nnc(-c3ccccc3)o2)cs1 65373151 BNXZVBSMSDVYFW-UHFFFAOYSA-N 328.397 2.703 0 50 EFAA CCc1cncc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)c1 282675175 ZJAFIWNQFGKUER-SJLPKXTDSA-N 326.396 2.601 0 50 EFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2ccc(C)o2)CC1 328649285 UWJFVLKLZNJJTF-OAHLLOKOSA-N 346.431 2.796 0 50 EFAA CC(=O)NC[C@@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72469910 ITLNFOKCWKUDSX-IBGZPJMESA-N 332.488 2.738 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)N[C@H](C(=O)O)c1ccccc1 30819458 WOIXGUDWQCTGRF-KRWDZBQOSA-N 326.327 2.723 0 50 EFAA CCc1ccc([C@@H]2CCCCCN2C(=O)CN2CSCC2=O)o1 155009877 AGPFWVHCIOHXLY-AWEZNQCLSA-N 336.457 2.819 0 50 EFAA CC(C)n1cnnc1CN(C)C(=O)c1cc(-c2ccccc2)no1 77455495 GDMSIYDSJJFOMM-UHFFFAOYSA-N 325.372 2.786 0 50 EFAA CN1C(=O)CCc2cc(CN3C[C@H](CO)Cc4ccccc43)ccc21 366440840 OXYMOMVRMKRYAX-MRXNPFEDSA-N 336.435 2.767 0 50 EFAA O=C(NC[C@H](c1cccs1)N1CCOCC1)N1CC[C@@H]2CCC[C@H]21 487903056 AACZNQRMEHGEHH-ARFHVFGLSA-N 349.500 2.705 0 50 EFAA Fc1cccc(Cc2noc(CN3CC[C@]4(CCCOC4)C3)n2)c1 367062910 QWYPUDYFQZAZLS-GOSISDBHSA-N 331.391 2.802 0 50 EFAA NC(=O)c1csc(N2CCC[C@@H](COc3ccccc3F)C2)n1 77318990 NBDCMIZKCIEYEE-LLVKDONJSA-N 335.404 2.677 0 50 EFAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(-c2nnc(S)o2)cc1 156951206 UMRQDBHFVCKAJT-ZIAGYGMSSA-N 345.424 2.713 0 50 EFAA N[C@@H]1c2ccccc2C2(CCN(C(=O)/C=C/c3ccccc3)CC2)[C@H]1O 72165652 RNQZDFZFNAZXSK-HZYCFNBMSA-N 348.446 2.635 0 50 EFAA COc1ccccc1CCNC(=S)Nc1ccc2c(c1)OCO2 13323855 QCQWTVYUFXHBDX-UHFFFAOYSA-N 330.409 2.953 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 373784565 XTESVTDGIJRUJP-GUYCJALGSA-N 338.473 2.740 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3ccnn3-c3ccccc3)C2)cc(=O)[nH]1 72151901 FLTPRLFJNRXAPF-INIZCTEOSA-N 349.438 2.644 0 50 EFAA Cc1ccccc1C1=CCN(C[C@@H](O)COC2CCOCC2)CC1 374608656 CYJISKJQPJSSCZ-GOSISDBHSA-N 331.456 2.641 0 50 EFAA CC(C)Cc1ncc(NS(=O)(=O)c2cccc(Cl)c2O)cn1 451047806 UMWNRVFIFXSIEM-UHFFFAOYSA-N 341.820 2.835 0 50 EFAA CCCCc1cn(CC2CCN(C(=O)c3scnc3C)CC2)nn1 48261775 MDLFZSMWUYSPSK-UHFFFAOYSA-N 347.488 2.938 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C12CCCC2 174565239 CWNGKANIBPEQMV-IAGOWNOFSA-N 340.423 2.996 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N3CCC[C@@](O)(CO)C3)cc2)c1 72133363 IWKIZDOVFLNGGK-FQEVSTJZSA-N 341.407 2.747 0 50 EFAA O=C(N[C@@H]1CCSC1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 287967650 LSWNMVLZAQNKQO-QBPKDAKJSA-N 332.469 2.706 0 50 EFAA COc1ccc([C@@H](NC(=O)c2sccc2C)C(=O)O)c(OC)c1 455910110 BFQYKWRZSFDLOR-CYBMUJFWSA-N 335.381 2.629 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](CN)C2)c2ccc(Br)cc2n1 178565350 KSBAVKJGCXIHPS-NSHDSACASA-N 348.244 2.727 0 50 EFAA COc1nccnc1N1C[C@@H]2CCN(Cc3ccc(C)s3)[C@@H]2C1 82096856 FDSPQPOHNIBEAC-DZGCQCFKSA-N 330.457 2.566 0 50 EFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 220150464 CMQNZWXXQVFEFV-OAHLLOKOSA-N 343.383 2.579 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3c(F)ccc(F)c3F)CC2=O)cc1 82161947 XNNCYPNSLITJKY-UHFFFAOYSA-N 348.324 2.901 0 50 EFAA CCNC(=O)[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)C(C)C 293047895 MGGDLOHJZFJNHA-INIZCTEOSA-N 339.443 2.600 0 50 EFAA CC(C)(NC(=O)[C@]1(c2ccccc2)CC1(C)C)c1nnc(N)s1 426684520 OZMYHNXZHZRELH-QGZVFWFLSA-N 330.457 2.840 0 50 EFAA CC(C)Cc1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1 426667379 CTUMSIYJAZGKFB-UHFFFAOYSA-N 325.412 2.815 0 50 EFAA O=C(CCc1ccccn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 180072923 IJHBUEWWDWRZFY-YOEHRIQHSA-N 332.350 2.627 0 50 EFAA Cn1ccc2ccc(C(=O)N3CCCN(Cc4ccccn4)CC3)cc21 95531469 APXNAVPNMJWSFD-UHFFFAOYSA-N 348.450 2.921 0 50 EFAA Cc1nnsc1CNC(=O)Nc1ccnn1C[C@@H]1CC=CCC1 97568964 JHJMZLADWGCHIP-GFCCVEGCSA-N 332.433 2.721 0 50 EFAA O=C(c1ccncc1)N1CCC(c2nccn2Cc2ccncc2)CC1 91769000 MTRZOWHHSCBAPJ-UHFFFAOYSA-N 347.422 2.741 0 50 EFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)C1CCC1)CC2 95373925 LGQDKFJDQKJWKH-KRWDZBQOSA-N 326.440 2.794 0 50 EFAA Cc1cccc(F)c1NC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 296888737 RBMGXMQUZJNPLJ-CHWSQXEVSA-N 328.409 2.611 0 50 EFAA C[C@H](c1nc2ccccc2o1)N1CCC(c2ccnn2CCO)CC1 181049319 JUPHEDNYUBRTDK-CQSZACIVSA-N 340.427 2.957 0 50 EFAA Cc1cc(C)c2c(CC(=O)NCCN3CCCC[C@H]3CO)coc2c1 97732725 GKBGNTATCKLYTJ-KRWDZBQOSA-N 344.455 2.555 0 50 EFAA CCCOc1cccc(CNC(=O)c2ccc3[nH]c(CO)nc3c2)c1 97155608 RWSNIMWVFRVEEJ-UHFFFAOYSA-N 339.395 2.774 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N(C)C)n[nH]2)o1 91907899 SGBSSOZVHUGTAA-OAHLLOKOSA-N 342.399 2.912 0 50 EFAA COC(=O)N1CCN(C(=O)Nc2cc(C)c(F)cc2Cl)CC1 95504929 MXJHJZOWEKKBGK-UHFFFAOYSA-N 329.759 2.703 0 50 EFAA O=C1N(C2CCCC2)CCC[C@@]12CCN(c1noc(C3CC3)n1)C2 91424854 CABZGINMPUTAIU-SFHVURJKSA-N 330.432 2.709 0 50 EFAA Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1 91644107 MGEHTKPAHUNSLV-UHFFFAOYSA-N 327.388 2.612 0 50 EFAA CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 95374993 COZCMPYSSSSNKP-GOSISDBHSA-N 326.440 2.794 0 50 EFAA O=C(NCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@H]1CCCO1 247523892 YPAWNTYHOKFGPC-KZNAEPCWSA-N 343.423 2.607 0 50 EFAA Fc1ccccc1-c1nnc2ccc(N[C@@H]3CCCOCC3)nn12 182986374 WWMCPOIKZNCYIU-GFCCVEGCSA-N 327.363 2.911 0 50 EFAA COC(=O)c1sccc1NC(=O)c1cnn(-c2ccccn2)c1C 252489053 JEBJMUSOVMNLOD-UHFFFAOYSA-N 342.380 2.676 0 50 EFAA C[C@@H](CNC(=O)N1CCC(OCc2ccccc2)CC1)N1CCCC1 534634198 XJBMWVNMIVPNSA-KRWDZBQOSA-N 345.487 2.862 0 50 EFAA O=C(O)c1nc[nH]c1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 299765161 JJFBYTBBDQUNPD-GFCCVEGCSA-N 341.367 2.674 0 50 EFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCCn2cccn2)C1 299764389 VFCRNVDOUCYJHK-SFHVURJKSA-N 340.471 2.610 0 50 EFAA CC[C@H](C)Oc1ccccc1CN1CCC(c2nc(N)n[nH]2)CC1 822645476 NTNWYZQGGUCNSU-ZDUSSCGKSA-N 329.448 2.944 0 50 EFAA O=C(NCc1cc(-c2cccc(Cl)c2)no1)N1CCC[C@@H]1CO 584892321 LFIJJVRPDASOMB-CYBMUJFWSA-N 335.791 2.661 0 50 EFAA CCO[C@H]1C[C@H](Nc2ncnc3sc(C)nc23)C12CCOCC2 1875286671 AFENZJDAMUWECM-RYUDHWBXSA-N 334.445 2.781 0 50 EFAA O=C(O)CC(=O)N[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 1875261793 QUEIZQLGOZEGJM-OAHLLOKOSA-N 338.285 2.781 0 50 EFAA Cc1ccc(CNC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cn1 1875289017 POWVFZJCCMBZPS-IBGZPJMESA-N 347.422 2.970 0 50 EFAA Cc1noc(C)c1-c1cn([C@@H](C(=O)NC(C)C)c2ccccc2)nn1 1875282539 IRQSNFBGAMRETF-QGZVFWFLSA-N 339.399 2.664 0 50 EFAA C[C@](O)(c1ccc(OCc2nnc3n2CCC3)cc1)C(F)(F)F 1875281138 QVOPURVVYBMVEP-AWEZNQCLSA-N 327.306 2.573 0 50 EFAA COc1cnc2ncnc(N[C@H](C)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 1875325955 IESGQLQXDPKETM-HZSPNIEDSA-N 329.448 2.812 0 50 EFAA CC(C)(C(=O)O)C(=O)N[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1 1875305904 MBRQXMLNLQJVAT-INIZCTEOSA-N 344.455 2.801 0 50 EFAA COC1(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)CCC1 952891388 CZVCYCFYZJEXPG-UHFFFAOYSA-N 345.374 2.545 0 50 EFAA C[C@H](OC1CN(C2=NC[C@H](c3ccc(F)cc3)N2C)C1)C(F)(F)F 1875405339 DFJPOMIFGZZZOV-IINYFYTJSA-N 345.340 2.820 0 50 EFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccccc1CN1CCCC1 952864390 YRZATAHOIZYFTR-UHFFFAOYSA-N 339.443 2.699 0 50 EFAA O=C(c1cnc(C2CCN(Cc3cccnc3)CC2)o1)N1CCCC1 888103161 LRLQEGMVVGLZQY-UHFFFAOYSA-N 340.427 2.685 0 50 EFAA COCc1nccc(N2CCC(O)(Cc3cccc(C)c3)CC2)n1 893619523 BPKDSHJJFQHWES-UHFFFAOYSA-N 327.428 2.505 0 50 EFAA O=C(CCC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1)NC1CCCC1 888826199 ASMJXCMFRJOLGG-YWZLYKJASA-N 341.455 2.758 0 50 EFAA CCOc1ncccc1C(=O)N1CCCN(Cc2ccsc2)CC1 989591219 MXAPABGAGXQJMI-UHFFFAOYSA-N 345.468 2.890 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2ncnc3cc(F)c(F)cc23)C1 1775957374 QTMXHJWGNAIJJD-LKFCYVNXSA-N 347.325 2.566 0 50 EFAA CC1(C)C[C@H](NS(=O)(=O)Cc2noc3ccccc23)C(C)(C)O1 186049755 HANRBOHFPOXDEE-AWEZNQCLSA-N 338.429 2.593 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2cccnc2)CC1 275652779 KTYGMFWEGHFZTE-GOSISDBHSA-N 339.443 2.995 0 50 EFAA Nc1nn2c(=O)cc(CSc3ccc(-c4ccccc4)cc3)nc2[nH]1 169966976 XHKBKCYLWCDTLK-UHFFFAOYSA-N 349.419 2.959 0 50 EFAA CCOc1ccc(CN2CCC3(CC2)[C@@H](O)C[C@H]3OCC)cc1F 278463684 PJQYCINIVQCTJN-ZWKOTPCHSA-N 337.435 2.976 0 50 EFAA C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(C(F)(F)F)nc1)C[C@@H](C)O2 279467319 WKVYJFFMKVRPMY-JRPNMDOOSA-N 344.333 2.509 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@@](O)(C(F)F)C1 408519891 LOBVTAKTFSEUGX-INIZCTEOSA-N 338.379 2.581 0 50 EFAA CC1(C)CN(C(=O)NCc2coc3ccccc23)C[C@]2(CCOC2)O1 280094095 ZHFOYEBXHJXADG-IBGZPJMESA-N 344.411 2.912 0 50 EFAA C[C@@H]1CN(Cc2ccccc2Br)C[C@@]2(CCOC2)O1 280122949 BUUXQBQGMTVKSY-IUODEOHRSA-N 326.234 2.829 0 50 EFAA CC[C@@]1(C)COCCN1C(=O)c1cc(N(C)C)c2ccccc2n1 410661858 QYKOZTZVFQPYOA-IBGZPJMESA-N 327.428 2.942 0 50 EFAA COc1ccc(CCNC(=O)N2CCOC[C@H]2CC(C)C)cc1F 172186786 XYZKMZDBKULEHC-OAHLLOKOSA-N 338.423 2.833 0 50 EFAA CC(C)N(C)Cc1ccccc1CNC(=O)c1cn(C(C)(C)C)nn1 188810125 GXZJSNBVXJPSIC-UHFFFAOYSA-N 343.475 2.803 0 50 EFAA Cn1nccc1C1CCN(C(=O)NCCc2ccc(F)c(F)c2)CC1 190372657 VVBCZZKJVWNPHQ-UHFFFAOYSA-N 348.397 2.830 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CC1OCCCO1 193233104 SZPLOEXFPYEXHE-DOMZBBRYSA-N 339.819 2.782 0 50 EFAA O=C(NCCc1cn2ccccc2n1)NCc1ccc2ncccc2c1 193991215 OAUVVDBRAMTHGO-UHFFFAOYSA-N 345.406 2.924 0 50 EFAA O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1cc(F)cc(F)c1 194904195 VLBPLIXRYKPBMB-UHFFFAOYSA-N 343.355 2.881 0 50 EFAA CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)cc1F 653326540 FKXGTFQZPWDZSF-ZBFHGGJFSA-N 342.370 2.935 0 50 EFAA C[C@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CC[C@@H](C)O1 656765159 JJTCKFMHIIVSPN-NEPJUHHUSA-N 327.808 2.916 0 50 EFAA CCCN(Cc1ccccc1F)S(=O)(=O)c1cc(C(=O)O)co1 656725395 VZRONKXPUVJWAB-UHFFFAOYSA-N 341.360 2.718 0 50 EFAA CCn1cc(CNC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)nn1 661719178 SNXHKYRJWHULCO-WBMJQRKESA-N 331.395 2.730 0 50 EFAA Fc1ccc(-c2nc(Cc3noc([C@@H]4[C@H]5COC[C@H]54)n3)co2)cc1 664743643 CVILBCCFOMLCAI-NHAGDIPZSA-N 327.315 2.814 0 50 EFAA CCN(CC)Cc1ccc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)o1 673722414 MYYFNKCBHJBZSN-HNNXBMFYSA-N 344.459 2.560 0 50 EFAA CN1CCC(n2nccc2NC(=O)c2cccc3c2CCC3=O)CC1 1529109940 HESBXROSKFEPDG-UHFFFAOYSA-N 338.411 2.531 0 50 EFAA CN(C(=O)C1CCOCC1)[C@@H]1CCCN(CCCc2ccccc2)C1 11840657 PVRTVPJXZLXPKQ-HXUWFJFHSA-N 344.499 2.969 0 50 EFAA Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCN(C)C)c12 12128682 KENOXJTYCMARGX-UHFFFAOYSA-N 349.504 2.701 0 50 EFAA Cc1c(CN2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)cnn1C 1857676926 MPVGRMUDZZRRQH-NLWGTHIKSA-N 339.439 2.779 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc3oc(C)cc3c1)C2 1857667692 ZRKSTSNTXPOZLT-SFHVURJKSA-N 328.368 2.798 0 50 EFAA Cc1ccnc(N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)n1 1857694913 LOMGIVMQPWFBQM-UHFFFAOYSA-N 345.424 2.613 0 50 EFAA Cc1ccc(-c2cc(CN3CCO[C@@H]4C[C@H](CO)C[C@@H]43)on2)cc1 1857729814 HGEIFVINNWABAR-MDASCCDHSA-N 328.412 2.622 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)NCc2nc(-c3ccccc3)cs2)CC[C@H]1N 1857733485 MCAGGCRKTRTEBL-SQWLQELKSA-N 345.468 2.569 0 50 EFAA CN(C)c1ccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)cn1 1857739099 CVBROBWXYKPPER-INIZCTEOSA-N 342.443 2.912 0 50 EFAA CCOC(=O)c1nc2c(o1)CCN(C(=O)OCc1ccccc1)C2 113980198 DTZBETUIKNRSJO-UHFFFAOYSA-N 330.340 2.546 0 50 EFAA in-vitro O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)c1ccoc1 238055254 ONBOLTYSXNPKDX-OAHLLOKOSA-N 342.351 2.611 0 50 EFAA O=C(O)[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C1CC1 262160108 PRTBYGZQSJSFQS-KGLIPLIRSA-N 341.329 2.817 0 50 EFAA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCCc2ccccc2C1 159157578 SUCJSPFJVDFGEX-HNNXBMFYSA-N 340.427 2.900 0 50 EFAA CCc1ccsc1C(=O)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 262924987 FNOYKFHXZTZLTC-AWEZNQCLSA-N 331.393 2.801 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)n1 265185607 LNXWAOVSBVBGSF-RDJZCZTQSA-N 341.411 2.788 0 50 EFAA CC1=NN(c2ccc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)CC1 267059677 GRIHOYSCBKMGIC-MOPGFXCFSA-N 335.407 2.661 0 50 EFAA CCOc1nc(C(=O)Nc2ncc(C)cc2Br)co1 904043497 DIZGXZPIRWIQDS-UHFFFAOYSA-N 326.150 2.792 0 50 EFAA CC(C)c1ocnc1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 820079889 XKPBHZKOARZCTL-ZSHCYNCHSA-N 325.412 2.658 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4ccon4)c3)C2)C1 933786553 RBTVSYGKBIIDHY-GOSISDBHSA-N 326.400 2.901 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(F)c2)CC1 114175066 NRSXRBLLJMNXPS-UHFFFAOYSA-N 325.340 2.791 0 50 EFAA CN(Cc1ccc2cnccc2c1)C(=O)c1c[nH]nc1[C@H]1CCCNC1 2325769171 PMIHSOMQWOZZMC-KRWDZBQOSA-N 349.438 2.697 0 50 EFAA C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 874398575 MXAXRXJPMPHOPD-ZMLRMANQSA-N 344.333 2.799 0 50 EFAA O[C@H](CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)C(F)(F)F 248392945 LHROOZIYABIULX-CHWSQXEVSA-N 340.349 2.574 0 50 EFAA CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 145681 JCDCQBVBLOEDRQ-UHFFFAOYSA-N 349.412 2.997 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 205501 PCDLHMUGSRMXJL-INIZCTEOSA-N 339.347 2.584 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 275041 FGLZXUUMILEIGI-CRJCFHLZSA-N 348.196 2.672 0 50 EFAA CCc1ccccc1NC(=O)CN(c1ccccc1)S(C)(=O)=O 380069 QXWPSIALTOJHLF-UHFFFAOYSA-N 332.425 2.654 0 50 EFAA CC(=O)N1[C@H](c2ccccc2)CC(=O)O[C@H]1c1ccc2c(c1)OCO2 489423 GTCXRHKYOKPUID-KXBFYZLASA-N 339.347 2.951 0 50 EFAA biogenic COCCN1CCC[C@@]2(CCCN2Cc2cccc3[nH]ccc23)C1=O 2356148917 ZWQMFKGVMFZANX-HXUWFJFHSA-N 341.455 2.771 0 50 EFAA O=C(O)c1cccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356164506 VTCMKBXZRSEXLP-IBGZPJMESA-N 328.412 2.504 0 50 EFAA Cc1nnc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)nc1C 2356165347 DIQODHOUYNNOPS-GFCCVEGCSA-N 347.378 2.629 0 50 EFAA COc1ccc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1C 2356168359 ACJWAPHHVMVZCP-FQEVSTJZSA-N 342.439 2.763 0 50 EFAA COc1cc(CNCc2ccccc2Cl)ccc1OCC(N)=O 4670808 OGTPLTQDGWGNAX-UHFFFAOYSA-N 334.803 2.503 0 50 EFAA CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 4810822 MRVKELBJNSZGNL-UHFFFAOYSA-N 348.493 2.919 0 50 EFAA CC1=C(C)C[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)O)C1 6699685 VFNJJPATNBDDGJ-ROUUACIJSA-N 342.439 2.782 0 50 EFAA Cc1ocnc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225517290 UMMHFLOJEMJQLQ-OLZOCXBDSA-N 340.301 2.950 0 50 EFAA CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ncc[nH]2)CC1 225671205 VJIVNLYSFJLLOD-OAHLLOKOSA-N 341.459 2.682 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)CC(=O)Nc2cc(Cl)ccc2C)n1 55107447 JTBZDBRWPXAQBL-UHFFFAOYSA-N 334.807 2.667 0 50 EFAA Cn1c(=O)oc2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc21 115054991 OJXUTJUNCMFHIO-KRWDZBQOSA-N 338.363 2.774 0 50 EFAA C[C@@H]1CS(=O)(=O)CCN1Cc1csc(Nc2ccccc2)n1 172422261 FJHJGPJXTRGMPT-GFCCVEGCSA-N 337.470 2.506 0 50 EFAA C[C@H](O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 55131478 JUBKLLVBYOLAPT-NSHDSACASA-N 332.429 2.830 0 50 EFAA Cc1ccc(-c2nc(N3CC[C@@H](C(N)=O)C3)c3ccccc3n2)s1 420582369 IMHBJGGADLHHDO-GFCCVEGCSA-N 338.436 2.978 0 50 EFAA COC(=O)CSc1nc2nccc(-c3ccccc3Cl)n2n1 57531035 ABLYKNZQECKUIA-UHFFFAOYSA-N 334.788 2.710 0 50 EFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCc1ccc(O)cc1 55099673 QNZZUHQXQLJWMA-GOSISDBHSA-N 328.412 2.950 0 50 EFAA CC(C)[C@@](C)(N)C(=O)N1CCc2n[nH]c(-c3ccc(Cl)cc3)c2C1 67856806 PTCDKURRKVCIFF-GOSISDBHSA-N 346.862 2.988 0 50 EFAA CC(C)[C@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67562327 MRCVBZBBHAWAHC-SFHVURJKSA-N 345.418 2.939 0 50 EFAA COc1cc(-c2nccn2CCCn2nc(C)nc2C)ccc1O 67834207 ZBDHFEFICWVYQU-UHFFFAOYSA-N 327.388 2.563 0 50 EFAA C[C@@H]1[C@H](OC(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]2C[C@H]1C2(C)C 252486354 JEVUPCXDYWWINE-SBFPOUOMSA-N 326.414 2.911 0 50 EFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(C3(C(=O)O)CC3)cc2)CC1 321577807 CWCMLMVALCHBJK-ZDUSSCGKSA-N 337.441 2.614 0 50 EFAA CCc1ccc2nc([C@@H]3CC(=O)N(CC4CCC4)C3)[nH]c(=O)c2c1 122067846 SMTWEXSXJOPRIH-CQSZACIVSA-N 325.412 2.602 0 50 EFAA O=C(CN1CCCC1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 129559686 ICCKQRCXEBVPQX-OAHLLOKOSA-N 328.412 2.562 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@H](OCC3CC3)C2)ccc1C(N)=O 328587982 KYKVMEBMXJPVOG-HNNXBMFYSA-N 331.416 2.517 0 50 EFAA Cc1ncsc1CN(Cc1noc(CC(C)C)n1)C[C@@H]1CCNC1 328603069 DQHQXMUXUPQLTM-CQSZACIVSA-N 349.504 2.645 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cccn2C2CCCC2)o1 328609727 FQEFRQWKBBJKBP-HNNXBMFYSA-N 330.388 2.508 0 50 EFAA CC(=O)c1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cs1 39447097 YQIONGYWILPVCK-MRXNPFEDSA-N 338.517 2.865 0 50 EFAA CCOC(=O)C(=O)N1CCn2c3c(c4cc(C)ccc42)CCC[C@H]31 4709024 HBGKSJOFNUGOGV-MRXNPFEDSA-N 326.396 2.732 0 50 EFAA O=C([C@@H]1CCOc2ccccc21)N1CCC(Cc2ncc[nH]2)CC1 329167851 IVCCWZPHBDFZOK-MRXNPFEDSA-N 325.412 2.757 0 50 EFAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1c(C)ccn(C)c1=O)CCC2 155525049 DHMZRLAOSPNUQT-CYBMUJFWSA-N 346.456 3.000 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)cc1)C1CC1 363755949 PRRHORDQYJTLFO-QGZVFWFLSA-N 342.439 2.924 0 50 EFAA O=C(Nc1cnn(-c2ccccc2)c1)N[C@H](CO)Cc1ccccc1 156044083 BSSQBZFMYXFVHE-INIZCTEOSA-N 336.395 2.597 0 50 EFAA COc1cc2c(cc1CNC(=O)CSc1ccncc1)O[C@H](C)C2 156298483 CIBSBDMZDVLVLU-GFCCVEGCSA-N 344.436 2.822 0 50 EFAA CC(C)(O)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 242339068 ZERGJZVPOQBRMK-CYBMUJFWSA-N 330.453 2.803 0 50 EFAA CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1Cn1cccn1 371061278 FJDAKGNLWRGZEZ-INIZCTEOSA-N 329.448 2.674 0 50 EFAA O=C(c1cn(Cc2ccccc2)nn1)N1CCOC[C@H]1c1ccccc1 374141282 LCFMGDFKMRXAFB-IBGZPJMESA-N 348.406 2.540 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)s1 262351163 BLRCZROTYYOFES-LBPRGKRZSA-N 333.365 2.866 0 50 EFAA COc1ccccc1/C=C/CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 245724190 INISLZDNBGCKQO-IDNNPUCFSA-N 337.485 2.996 0 50 EFAA O=C(O)c1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)n1 262385284 JDIZVRLEAGKRPQ-UHFFFAOYSA-N 328.343 2.971 0 50 EFAA NC(=O)COc1ccc(CN(Cc2ccccn2)C2CC2)cc1Cl 215444293 VEKSVHLFZYNAGL-UHFFFAOYSA-N 345.830 2.764 0 50 EFAA Cn1ccnc1CN(Cc1cc(Cl)ccc1OCC(=O)O)C1CC1 215806890 PDPHHORNBQHGIZ-UHFFFAOYSA-N 349.818 2.702 0 50 EFAA CC[C@@H]1CN(CCn2ccnc2C)CCC(=O)N1Cc1ccccc1 71662460 YDBVMEQFTKBWPL-LJQANCHMSA-N 340.471 2.705 0 50 EFAA c1ccc2sc(N3CCN(c4ncnc5c4CCC5)CC3)nc2c1 77425302 PEMAPZSNTYWNIL-UHFFFAOYSA-N 337.452 2.902 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2cccc(OC3CCCC3)c2)C1 284829111 NCLJMDKZMLDRPF-QFBILLFUSA-N 347.455 2.549 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(F)cc3F)C2)nn1 285480937 LQIRBJIVMZVFJZ-QGZVFWFLSA-N 336.386 2.621 0 50 EFAA COc1ccc([C@H](N)CC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1OC 71761534 KDARUNOWLKRVEN-PEHHYFEISA-N 344.455 2.598 0 50 EFAA CCn1c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)nc2ccccc21 239782512 COWKJHXVOAOLPB-AEGPPILISA-N 337.427 2.771 0 50 EFAA CCSCc1cc(C(=O)N2CC(=O)Nc3c(F)cccc32)no1 239869355 CYSCJFPDEJTOLD-UHFFFAOYSA-N 335.360 2.666 0 50 EFAA COC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1C 132941824 PNNUQHYDYWUKPW-UHFFFAOYSA-N 340.408 2.956 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c1 263237387 RGLIVSNIOBYEPJ-CABCVRRESA-N 331.412 2.978 0 50 EFAA Cc1nc(Cl)ccc1C(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 290932735 NOLSLWJLWJYNFE-MAUKXSAKSA-N 330.815 2.939 0 50 EFAA CCn1ncc(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1C 17070747 ZIOZDNNLZISDRU-UHFFFAOYSA-N 336.442 2.930 0 50 EFAA CC1(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)CCNCC1 82099475 GOYWYIHMIYUJTK-SFHVURJKSA-N 342.483 2.817 0 50 EFAA O=C(c1ncncc1Cl)N1C[C@@H]2CCCN2Cc2ccccc21 178610716 ZTAYFVXRXRHLNY-ZDUSSCGKSA-N 328.803 2.755 0 50 EFAA COc1ccc(N2CCN(C(=O)c3ccc(F)cc3C)CC2=O)cc1 82156512 AQAZYXQVIDOVFO-UHFFFAOYSA-N 342.370 2.632 0 50 EFAA Fc1ccc(-c2cn(CC3CCN(C[C@H]4CCOC4)CC3)nn2)cc1 20600883 QUFIYIQKVRYQAE-MRXNPFEDSA-N 344.434 2.833 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cn2ccsc2n1 91746237 FLVGNEIYJMLMEC-UHFFFAOYSA-N 329.410 2.673 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)cnc1C 97655449 GIVLAPRHPGPXMT-OAHLLOKOSA-N 343.452 2.795 0 50 EFAA O=C1CCCN1c1ccc(CNc2ncnc3c2ncn3C2CC2)cc1 292545661 WWVGZPWFDHKBHG-UHFFFAOYSA-N 348.410 2.900 0 50 EFAA CC(C)(NC(=O)c1csc(-c2ccccc2)n1)c1nnc(N)s1 426623026 QAHQDWVNBDXZCW-UHFFFAOYSA-N 345.453 2.909 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cc(=O)cc(C)[nH]2)c2ccncc2)cc1 426612527 FMSDCGBXQLTFJS-LJQANCHMSA-N 349.390 2.606 0 50 EFAA CCC[C@]1(C(=O)O)CCCN(C(=O)CCc2cn3ccccc3n2)C1 91547130 WKQUBRBBOJFJRW-IBGZPJMESA-N 343.427 2.760 0 50 EFAA Cc1nn(C(C)C)c(C)c1CC(=O)NCc1cn2ccsc2n1 293040546 REYCOFMVFQCNGV-UHFFFAOYSA-N 331.445 2.649 0 50 EFAA Cc1ccncc1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 91468326 NKGXOTDMNVTTPY-UHFFFAOYSA-N 329.444 2.501 0 50 EFAA Cc1cccnc1N1CCC[C@H](c2nccn2CCCN(C)C)C1 95525567 UBQCMXKSZCGINE-KRWDZBQOSA-N 327.476 2.922 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Cn2nccc2C)C1 95367411 XVKKEBVKNCPYNQ-MRXNPFEDSA-N 329.448 2.594 0 50 EFAA CCCc1cnc(C)nc1N1CCC(NCc2cccnc2)CC1 95524978 ZILDWGBNOIHTSH-UHFFFAOYSA-N 325.460 2.891 0 50 EFAA O=C(O)c1cccc(N2CCN(c3nc4ccccc4s3)CC2)n1 95529141 LYEATGRHCHCTFV-UHFFFAOYSA-N 340.408 2.716 0 50 EFAA CN(CC(=O)Nc1ccn(C)n1)C[C@]1(c2ccccc2)CC1(C)C 244626780 FSSJENUVDWYZSY-IBGZPJMESA-N 326.444 2.658 0 50 EFAA O=C(Nc1ccc(F)cc1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263616208 HPTYCTVDRKBZIT-MRXNPFEDSA-N 338.342 2.941 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)c2cc3c(nc2OC)CCC3)c1C 299780801 CVSUDVZVNFOPOW-NSHDSACASA-N 342.443 2.903 0 50 EFAA Cc1cc(C)n(CCNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)n1 299780230 AMGGWAUMRNKBAL-MRXNPFEDSA-N 342.447 2.874 0 50 EFAA COC(=O)N1CCCC[C@H]1c1n[nH]c(Cc2ccc(OC)cc2)n1 824674413 BALRKJDDHZHUDW-AWEZNQCLSA-N 330.388 2.698 0 50 EFAA Cn1cc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)n1 825635690 VLXZUNXKXSZVSR-LLVKDONJSA-N 338.864 2.529 0 50 EFAA O=C(Cn1ccc2ccc(Cl)cc21)NS(=O)(=O)CC1CCC1 165109221 NEFOOTOPAZMWLD-UHFFFAOYSA-N 340.832 2.541 0 50 EFAA Cc1ccc(O[C@H](C)C(=O)OCC[C@@H](C)O)c(Br)c1 849699737 FABVHEVZLOLMMT-GHMZBOCLSA-N 331.206 2.839 0 50 EFAA c1ccn2ncc(CN3C[C@H](c4n[nH]c(C5CC5)n4)[C@@H](C4CC4)C3)c2c1 952890997 RDAUYOAZXXKKML-SJORKVTESA-N 348.454 2.955 0 50 EFAA O=C(N[C@H]1CC=CCC1)N1CCc2nnc(-c3ccncc3)cc2C1 952892571 IEPNXQVEUAESRQ-INIZCTEOSA-N 335.411 2.715 0 50 EFAA COc1c[nH]c(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)cc1=O 952994599 ZPQVAQQUZBEMLZ-KRWDZBQOSA-N 330.359 2.712 0 50 EFAA O=C(O)C[C@@H]1CC[C@@H]2CN(C(=O)c3cccc4c[nH]nc34)CC[C@@H]2C1 1875291804 LZSYFYHVNOKOPO-UMVBOHGHSA-N 341.411 2.916 0 50 EFAA C[C@@H]1C[C@@H](CO)CN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 1875294592 KGUNHLHKRHDUBY-GHMZBOCLSA-N 338.333 2.765 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cc(F)ccc4C3)n[nH]c21 1875293582 VXXYZESBDYRCDH-MNOVXSKESA-N 329.375 2.770 0 50 EFAA FC1(F)[C@@H]2[C@H](N=c3[nH]n4cc(-c5cccnc5)nc4s3)CC[C@H]21 1875294650 LLXGRXXTUXJDRF-FOGDFJRCSA-N 333.367 2.730 0 50 EFAA NC[C@@]12CCCC[C@@H]1CN(C(=O)c1ccc3ncccc3c1F)C2 1875304256 FMRZVVTZIHESIB-BFUOFWGJSA-N 327.403 2.965 0 50 EFAA O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1nc(-c2ccccc2)ncc1Cl 1875309554 BXOWFZKLACARBK-LWTNXATQSA-N 341.798 2.703 0 50 EFAA CCC(=O)N1C[C@@H]2CCC[C@H](N=c3[nH]c4ncc(Cl)cc4o3)[C@H]2C1 1875332300 ONIGZWIZIRLESE-DRZSPHRISA-N 348.834 2.747 0 50 EFAA C[C@H](NC(=O)[C@@H](N)Cc1n[nH]c2ccccc12)c1ccccc1Cl 1875346794 BRSJZGNAOBATEF-NHYWBVRUSA-N 342.830 2.964 0 50 EFAA N[C@@H](Cc1n[nH]c2ccccc12)C(=O)NCc1cccc(Cl)c1F 1875346925 DUNGUZZDNYELJE-ZDUSSCGKSA-N 346.793 2.542 0 50 EFAA O=C(c1ncoc1C1CC1)N(Cc1ccccn1)C[C@H]1CCCO1 952978518 CXYGSIVSHHWCGC-OAHLLOKOSA-N 327.384 2.768 0 50 EFAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1cc(O)ncn1 952967956 AAKKTNLIYHIVNH-OAHLLOKOSA-N 337.379 2.808 0 50 EFAA CCc1ncc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cn1 952988866 LUUVKTJSHFFGHH-MRXNPFEDSA-N 327.384 2.849 0 50 EFAA COC1(C(F)(F)F)CN(C(=O)N[C@@H](c2cccnc2)C2CC2)C1 893885836 POXHPABBKVLMCN-GFCCVEGCSA-N 329.322 2.505 0 50 EFAA O=C(OCCO)[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 888096985 UDAYFMNBZIHHEH-SNVBAGLBSA-N 346.132 2.722 0 50 EFAA O=S(=O)(c1ccc(Cl)s1)N1c2ccncc2N2CC[C@H]1C2 1776004739 WEQQOSZODNFOER-VIFPVBQESA-N 341.845 2.584 0 50 EFAA COc1nnc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)s1 276585645 VMXJIAPWHRQZBD-WCBMZHEXSA-N 340.430 2.602 0 50 EFAA CCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)c2cc(F)ccc21 170608962 YDIQYQIATOOSHT-HNNXBMFYSA-N 347.434 2.647 0 50 EFAA CC(=O)NC1CCC(Nc2cc(N3CCOCC3)ccc2C)CC1 281244610 WQTFEYIKKJHTBW-UHFFFAOYSA-N 331.460 2.691 0 50 EFAA O=C(O)[C@@H](CC(=O)N1CC[C@@H](Oc2ccccc2)C1)c1ccccc1 634930633 JSAIEDWZUVWKHS-MSOLQXFVSA-N 339.391 2.925 0 50 EFAA CC(=O)Nc1cccc(NC(=O)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c1 189861355 ULZQUMYNPNBTPC-MRRJBJDNSA-N 343.427 2.763 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)Cc2cc(F)c(F)cc2F)n[nH]1 408469841 UXHRCBRZBLQDCW-AWEZNQCLSA-N 338.333 2.827 0 50 EFAA C/C(=C\C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1ccncc1 221976046 TZJQJVXNNQCOGJ-WSYSLRRZSA-N 340.379 2.578 0 50 EFAA CC(=O)Nc1cccc2c1CCN([C@@H]1CCc3ccccc3NC1=O)C2 191955935 ISAOYMXGVLDAFS-HXUWFJFHSA-N 349.434 2.957 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)CC1 192147118 GKBRUWKTKRSIIC-KRWDZBQOSA-N 344.455 2.506 0 50 EFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1cccc(F)c1)C2 216443556 ONSVQYOJILAGHM-WBVHZDCISA-N 332.419 2.618 0 50 EFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]4C[C@@]4(C)C3)c2)on1 1775977499 JLSJWROTYVRKEA-PBHICJAKSA-N 332.425 2.989 0 50 EFAA COCCN1CCC[C@]2(CCN(Cc3ccc(C)c(C)c3)C2)C1=O 11879452 OWNRPURDFSSVPP-HXUWFJFHSA-N 330.472 2.764 0 50 EFAA COc1ccc(-n2nc(C(=O)NC3CC3)nc2-c2ccccc2)cc1 13568890 TYYQKBGYJLSTMS-UHFFFAOYSA-N 334.379 2.835 0 50 EFAA Cn1cc(CCC(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 14953537 OFXUYSUPWIPWAT-IBGZPJMESA-N 341.455 2.603 0 50 EFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 14997743 NPHLGXSFKQOXGD-HOCLYGCPSA-N 338.407 2.513 0 50 EFAA COc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1O 19831937 SCZKPVPPEPCRJL-UHFFFAOYSA-N 342.464 2.894 0 50 EFAA C[C@H](C(=O)N1CCC(c2cc(O)no2)CC1)N(C)Cc1ccccc1 1857527049 PKPFTMQXMZSAEM-CQSZACIVSA-N 343.427 2.607 0 50 EFAA COc1cnc(C)cc1C(=O)N[C@@H](c1ccccc1)c1nccn1C 1857666761 HASRJSYFVPSDJH-KRWDZBQOSA-N 336.395 2.652 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)CCc1cc(Cl)no1 1857696755 BINNAOUIZGBVRB-UHFFFAOYSA-N 332.791 2.769 0 50 EFAA CN1CCO[C@H](Cn2ccnc2-c2ccc(-c3cccnc3)cc2)C1 1857712348 VMYUZHCTMPQWFW-IBGZPJMESA-N 334.423 2.943 0 50 EFAA CC1CCN(C[C@@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)CC1 229717914 VGSJDFCFZTUSKE-PKOBYXMFSA-N 329.488 2.657 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 237941325 MZVKSSWRXQWKNW-INIZCTEOSA-N 327.384 2.732 0 50 EFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)CCc1cccnc1)C2 248237271 CMZSZYOBROAPBG-OALUTQOASA-N 327.472 2.903 0 50 EFAA CN1CCc2ccc(NC(=O)Cc3cccc(F)c3F)cc2C1=O 350731551 BMCXMTGFFJFTPX-UHFFFAOYSA-N 330.334 2.774 0 50 EFAA O=S(=O)(Nc1ccnn1C1CCC1)c1ccc2c(c1)CCCO2 903685161 CIJOCBVMZDZXIV-UHFFFAOYSA-N 333.413 2.734 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(C)n1C 909623383 FPJSKENQLJQNBT-DLBZAZTESA-N 326.396 2.582 0 50 EFAA O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(F)c2occc12 824187193 PXUYSFZCWHBUAZ-KRWDZBQOSA-N 347.386 2.869 0 50 EFAA CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 928996464 UBIGXOFVHNPKLP-KGLIPLIRSA-N 341.496 2.526 0 50 EFAA C=CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1262555546 XHJFHTPYDUTQAE-FZMZJTMJSA-N 326.799 2.543 0 50 EFAA O=C(NCCc1cn2c(n1)CCCC2)c1ccc(-c2cn[nH]c2)cc1 1263705704 FKQVKPZMFOWKQM-UHFFFAOYSA-N 335.411 2.582 0 50 EFAA CCOc1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC 141400 AZVITPXVVAAXRW-UHFFFAOYSA-N 337.397 2.903 0 50 EFAA C[C@@H]1CNC[C@H](CC(=O)Nc2ncc(-c3ccc(F)cc3)s2)O1 2325795608 PHXWZOSOOSDOHR-MFKMUULPSA-N 335.404 2.655 0 50 EFAA COc1coc(COC(=O)CCc2nc3ccccc3s2)cc1=O 126663080 GUVQATHBOHWKKH-UHFFFAOYSA-N 345.376 2.934 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 559362 UXLMKLYQQHLVFA-UHFFFAOYSA-N 326.396 2.666 0 50 EFAA S=C(NCc1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 610131 LPUIYBPTHLHDTM-UHFFFAOYSA-N 326.849 2.553 0 50 EFAA O=C(N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1)C(F)(F)F 1217314 JDYXCAJLOYPBIP-JTQLQIEISA-N 339.722 2.546 0 50 EFAA COC(=O)c1cc(NCc2ccccc2)ccc1N1CCOCC1 2435900 OZGDWIASFKFUJO-UHFFFAOYSA-N 326.396 2.922 0 50 EFAA CN1CCC2(CC1)CCN(c1noc(-c3ccccc3)c1C(=O)O)C2 2356158336 HWVBRGLRSVBQKD-UHFFFAOYSA-N 341.411 2.962 0 50 EFAA Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 3485827 SKWQSHURUQONAG-UHFFFAOYSA-N 336.848 2.850 0 50 EFAA Cc1ccc(N(C(=O)C(C)C)[C@H]2C=CS(=O)(=O)C2)cc1Cl 4165258 ZBAYUXYOKVJVBP-ZDUSSCGKSA-N 327.833 2.948 0 50 EFAA NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246807989 RUCOSHWPLDJDDG-IHRRRGAJSA-N 341.238 2.963 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 345618615 LKPNBNQMRLRZCB-KSSFIOAISA-N 347.361 2.850 0 50 EFAA Cc1nnc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)s1 100120762 OOCWTCGNHXPQCP-JTQLQIEISA-N 339.829 2.924 0 50 EFAA CC[C@@H](C(=O)NCC(F)F)n1nc(C(F)(F)F)c2c1CCC2 20607581 NYJQGCKOQDMTME-QMMMGPOBSA-N 325.281 2.723 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1 65373635 VPHNENSFCRWXQH-GOSISDBHSA-N 334.379 2.863 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)c2ccccc2Cl)n1 67613181 NHCMQPMKFGMYSS-UHFFFAOYSA-N 333.823 2.712 0 50 EFAA CC1CCN(C[C@H]2CCCN(CC(=O)Nc3nccs3)C2)CC1 120198827 XXVOGCWRQHWVRH-OAHLLOKOSA-N 336.505 2.526 0 50 EFAA Cc1cc(C[C@@H](C)Nc2nc(CCN)nc3sc(C)c(C)c23)[nH]n1 65395054 LAEKGGWGDCDIJM-SECBINFHSA-N 344.488 2.884 0 50 EFAA CN(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)ccc2o1 230277755 YQZSNGVORSNGTI-GZBFAFLISA-N 344.415 2.973 0 50 EFAA Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)c1nnnn1C1CC1 252494072 NKFQXWARKQGVNR-QMMMGPOBSA-N 344.400 2.524 0 50 EFAA CC1=CCC[C@@H](C)[C@@H]1CNC1CCN(C(=O)c2cnccn2)CC1 252519007 AQQDEGWMFORTGX-NVXWUHKLSA-N 328.460 2.663 0 50 EFAA O=C(c1ccc(Cl)cc1)N(Cc1cccnc1)C[C@@H]1CCNC1 328655219 YEHIRHPZLHNRDJ-OAHLLOKOSA-N 329.831 2.987 0 50 EFAA CO[C@H]1C[C@H](c2nnc(/C=C/c3c(F)cccc3F)o2)N(C(C)=O)C1 328656261 ZEXRLAKVYCEGLE-CKFGTYPXSA-N 349.337 2.827 0 50 EFAA CC(C)Cc1noc([C@@H](C)Nc2nc(CCN)nc3ccccc23)n1 65455865 XGNKTWLFJITFCV-GFCCVEGCSA-N 340.431 2.886 0 50 EFAA CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H]1Cn1nc(C)nc1C 253375016 OFKXNOKYJDYELV-QGTPRVQTSA-N 347.507 2.539 0 50 EFAA COc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1OC 4727274 UJISWSJXOOZREK-UHFFFAOYSA-N 329.278 2.708 0 50 EFAA CCCc1occc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 253419132 JAKLZFZKUQCZQA-UHFFFAOYSA-N 349.408 2.675 0 50 EFAA CCCN1C[C@H](NC(=O)c2cc(C)nc3c(C)c(C)ccc23)CC1=O 77470098 JWKHHUDSXSDHPM-OAHLLOKOSA-N 339.439 2.901 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 77506172 TZGCYTNRBPUXRO-CYBMUJFWSA-N 341.440 2.520 0 50 EFAA Cc1cccc(OC2CN(C(=O)c3ccc(Cn4ccnc4)o3)C2)c1 71422474 IVCUTWKQWUHQCX-UHFFFAOYSA-N 337.379 2.736 0 50 EFAA O=C(c1cc(O)nc(C2CC2)c1)N1CCN=C(O)[C@@H]1c1cccs1 330000934 XICJNESUZGPYCZ-HNNXBMFYSA-N 343.408 2.880 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 360001711 WKAJUWOBIYOZAY-GFCCVEGCSA-N 325.372 2.893 0 50 EFAA CN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCCCNC1=O 153198248 SRJVZMMFPRKJCN-LBPRGKRZSA-N 332.297 2.585 0 50 EFAA Cc1cccc([C@H](O)CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 153280994 RLEOWRQOVRCUBV-WOJBJXKFSA-N 338.451 2.809 0 50 EFAA Cc1cccc(-c2nnc(S)n2CC(=O)N2C[C@H]3CCC[C@H]3C2)c1 153692850 QEWMAIGEZRRBCP-GASCZTMLSA-N 342.468 2.801 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cn1ccc2ccc(Cl)cc21 284519426 FXUCZEMUWCMTEM-GJZGRUSLSA-N 336.819 2.557 0 50 EFAA C[C@H]1CN(C(=O)NCc2cnn3ccccc23)Cc2ccccc2O1 368062400 KEZIQPNIHVYINK-AWEZNQCLSA-N 336.395 2.827 0 50 EFAA Cc1ccc(NC(=O)C(=O)N(C)C2CCCCCCC2)c(N(C)C)n1 156655749 XVJKFVWGYSAMBT-UHFFFAOYSA-N 346.475 2.966 0 50 EFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 237818604 LQRNDWMJQVLXPS-DSIZOQBWSA-N 332.419 2.569 0 50 EFAA COc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCCCC3)no2)cc1 32594178 YPUAJBPTAVHIHN-AWEZNQCLSA-N 343.427 2.954 0 50 EFAA Cc1cc(C)n(-c2cccc(CN3CC[C@@]4(C3)CN(C)C(=O)O4)c2)n1 215839600 QMCXQEGIPXLCQG-IBGZPJMESA-N 340.427 2.516 0 50 EFAA CCOC(=O)Cc1cccc(NC(=O)N2CCC[C@H]2[C@H]2CCCO2)c1 284851785 PADNHUFODLCLEZ-DLBZAZTESA-N 346.427 2.968 0 50 EFAA Cc1nc2ccc(S(=O)(=O)N3CC(c4ccncc4)C3)cc2s1 72168465 PMEIVHXXIIZZOM-UHFFFAOYSA-N 345.449 2.788 0 50 EFAA Cc1c[nH]c(C(=O)N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)c1 72156703 ZVIQHEYOIQTOLP-OAHLLOKOSA-N 345.830 2.550 0 50 EFAA CCCc1nc(NCCNc2ncccc2C)c2cnn(C)c2n1 72454245 AOCXHOXMBMEUHV-UHFFFAOYSA-N 325.420 2.543 0 50 EFAA O=C(c1cc2nccnc2cc1F)N1CCC[C@@H](c2ccncn2)C1 374983114 WJZFILYCGNMJKN-GFCCVEGCSA-N 337.358 2.579 0 50 EFAA Cc1ccc2c(C3=CCN(C(=O)[C@@H]4CCC(=O)N4C)CC3)c[nH]c2c1 376670682 HBUYKVNVXJICCR-SFHVURJKSA-N 337.423 2.713 0 50 EFAA NC(=O)[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 241588253 PBHFSUVJTPWVJB-ZACQAIPSSA-N 332.350 2.611 0 50 EFAA O=C(NC[C@H](O)c1ccc(Cl)s1)c1cc2c(s1)CCOC2 175071965 YYSTUVIIVBAZAX-VIFPVBQESA-N 343.857 2.999 0 50 EFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c1 229577868 UUPXBJQAHICFLA-PVAVHDDUSA-N 341.411 2.896 0 50 EFAA O=C(C[C@H]1CCCC(=O)N1)Nc1cccc(Cl)c1OCC(F)F 288670267 HNLYKVIAGJKGNJ-SECBINFHSA-N 346.761 2.981 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 178982743 ICDOZAREUMEWFL-JTQLQIEISA-N 337.395 2.770 0 50 EFAA Cc1noc(C)c1CN1CCc2c(C(=O)NC3CC3)csc2C1 426434120 OJPXHXMZZZHOHF-UHFFFAOYSA-N 331.441 2.803 0 50 EFAA C[C@H](CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1)N1CCCC1 426496634 DWHRTZAKBBSOHC-CQSZACIVSA-N 326.444 2.753 0 50 EFAA Cc1nc(CNC(=O)c2ccnc(C(C)C)n2)nc2c1CCCC2 426387266 KQTMUPAEGQVJND-UHFFFAOYSA-N 325.416 2.507 0 50 EFAA Cn1c(=O)cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c2ccccc21 426512176 OEYPROGNISELCI-AWEZNQCLSA-N 340.423 2.760 0 50 EFAA C[C@@H]1CN(C(=O)CSc2cn(C)c3ccccc23)CC[C@]1(C)O 91452051 KEDUWCCFOCWXQN-ACJLOTCBSA-N 332.469 2.890 0 50 EFAA CCC1(CC)CN(C(=O)N[C@H](C(=O)O)c2cccc(C)c2)CCO1 426727512 PHHJTXBNZQPEEE-HNNXBMFYSA-N 334.416 2.721 0 50 EFAA COc1c(F)cc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)cc1F 91364578 HHOBQNFZRGSAGR-QGHHPUGFSA-N 325.355 2.597 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)cc1 239412468 SSSXWDFMWCJDPQ-NQLMQOPMSA-N 325.364 2.597 0 50 EFAA CCOCc1cc(CN2CCC3(CC2)COC(=O)O3)ccc1OC 97360085 AOLFUTPYOYUHMR-UHFFFAOYSA-N 335.400 2.733 0 50 EFAA O=c1ccc(C(F)(F)F)cn1Cc1ncnn1CCc1ccccc1 96163196 FOVGELGMVOWAGA-UHFFFAOYSA-N 348.328 2.750 0 50 EFAA O=C1C[C@H](Cc2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 95497822 OWHOGDQKAIXDES-HNNXBMFYSA-N 334.379 2.723 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 95499495 YVLBWFFXLUDONI-HNNXBMFYSA-N 331.416 2.759 0 50 EFAA COCCCN1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 95524006 ZJTFWYHLDDJQSC-UHFFFAOYSA-N 325.840 2.834 0 50 EFAA C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCOCC1 268574185 POHJUXMIWAYWQL-MRXNPFEDSA-N 330.472 2.830 0 50 EFAA Cc1cc([C@H]2CCCN2CCN2CCN(c3ccccc3)CC2)no1 244866636 VZOPWASDKUNFMO-HXUWFJFHSA-N 340.471 2.942 0 50 EFAA COC(=O)c1occc1CN1CCC(Oc2ccc(C)cn2)CC1 182843510 HTXQCJDMIQMPIV-UHFFFAOYSA-N 330.384 2.813 0 50 EFAA Cc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)s1 299755161 AUKQHLYIBDGXFM-UHFFFAOYSA-N 340.456 2.671 0 50 EFAA Cc1nc(NCC2(Cn3ccnc3C)CC2)cc([C@@H]2CCOC2)n1 299778567 PGOVYEUGPIUFFP-OAHLLOKOSA-N 327.432 2.686 0 50 EFAA CCCCN1CCn2nc(CNC(=O)c3cc(C)oc3C)cc2C1 299792322 DPUGFIOECWUZHM-UHFFFAOYSA-N 330.432 2.639 0 50 EFAA CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)CCN1CCCC1=O 822560015 NGRRMKSDMLWLHN-CYBMUJFWSA-N 331.416 2.622 0 50 EFAA Cc1c(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccn1C 684967758 WZJQXVCVHOFFOC-UHFFFAOYSA-N 331.460 2.588 0 50 EFAA O=C1C=C[C@H]2C=C(S(=O)(=O)Oc3ccc(Cl)cc3)C=C[C@@H]2O1 1875323168 ZXHHURBYOGRSPM-HZMBPMFUSA-N 338.768 2.600 0 50 EFAA O=C(CCc1cccnc1)N1CCCN(C(=O)C2CCCCC2)CC1 940096213 PXNNCQPYPHAPEW-UHFFFAOYSA-N 343.471 2.655 0 50 EFAA Cc1nsc(C)c1C(=O)Nc1ncc(Br)cc1CO 952995376 JYRMHIVFVUQOIO-UHFFFAOYSA-N 342.218 2.662 0 50 EFAA CCc1cnccc1-c1nnc([C@H]2OCC[C@H]2Cn2ccnc2)o1 886082128 CJBJNGZAUHMBIU-ZFWWWQNUSA-N 325.372 2.668 0 50 EFAA COc1cccc2c1[C@H](C(=O)NCc1ccc(CCO)cc1)CC2 890639221 IUJKLUMAUXVRNB-QGZVFWFLSA-N 325.408 2.576 0 50 EFAA O=C(N[C@@H]1CCOC12CCOCC2)N[C@H]1C[C@H](c2cccc(F)c2)C1 894583389 ZUQVNNALNYJZTQ-DJIMGWMZSA-N 348.418 2.709 0 50 EFAA Cc1cc(C)cc(C2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)c1 891291326 MHZOMNZMTRSEFL-UHFFFAOYSA-N 349.496 2.834 0 50 EFAA Cc1noc(C)c1C(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565514158 FJDGWNMTLSXCAV-CYGHRXIMSA-N 326.396 2.667 0 50 EFAA O=C(CC1CSC1)N1CCC(c2nc(-c3ccccn3)no2)CC1 630893800 LONFHJBCSHFHRG-UHFFFAOYSA-N 344.440 2.591 0 50 EFAA Cn1cnc2c(N3CCC(Cc4nc5ccccc5[nH]4)CC3)ncnc21 631335672 XBGHRATXPGGWAJ-UHFFFAOYSA-N 347.426 2.699 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)c2ccc(Cl)s2)n1 275323193 JHUZFLSZMUCQFM-SZEHBUNVSA-N 341.820 2.531 0 50 EFAA Cc1ccc(Cc2nc(C(=O)N3CC(C(C)(C)O)C3)cs2)cc1 275664050 RFIWRKBLPHITCD-UHFFFAOYSA-N 330.453 2.885 0 50 EFAA CCOc1cccc([C@H](C)Nc2nccc(N3CCOCC3)n2)c1 676308255 NOZBRMNPPBDXGW-AWEZNQCLSA-N 328.416 2.885 0 50 EFAA C[C@@]12CC3CC(C(=O)N4CCO[C@H](CC(=O)O)C4)(C1)C[C@](C)(C3)C2 170025708 PVNNOYRBDSJCBA-ITBCDRTKSA-N 335.444 2.685 0 50 EFAA Cc1cccc2[nH]c(CCC(=O)N(C[C@@H]3CCCN3)C3CC3)nc12 186539839 KULLNMVWPVTIPV-AWEZNQCLSA-N 326.444 2.547 0 50 EFAA COC(=O)[C@H]1CCCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 170634757 MDDWDAUOUOWTED-DZPQGLOJSA-N 334.460 2.797 0 50 EFAA CN(C(=O)c1cccc(-n2cccn2)n1)[C@H]1CCCc2cccnc21 170604781 HPCQWWPMLSFZDB-INIZCTEOSA-N 333.395 2.812 0 50 EFAA C[C@H]1CN(c2ccc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc2)C[C@H](C)O1 633682005 SQVMZVSSXNKKGJ-STEAMIEHSA-N 344.455 2.694 0 50 EFAA O=C(Cc1n[nH]c2c1CCCC2)N[C@H](c1ccccc1)[C@@H]1CCCO1 188337014 JGZXKVAGVCUMFP-AZUAARDMSA-N 339.439 2.868 0 50 EFAA Cc1ccccc1-c1nnc(SCCCN2CCOCC2)n1C 195335607 YMFSWXRZJBGLFX-UHFFFAOYSA-N 332.473 2.605 0 50 EFAA CC1(C)c2ccccc2CCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 671219352 AUZCYJHQPYTIOD-INIZCTEOSA-N 347.480 2.521 0 50 EFAA CCc1nn(C)c(NC(=O)c2cnc(-c3cccnc3)nc2C)c1C 1506431294 HGBVGCVBYAHNAC-UHFFFAOYSA-N 336.399 2.704 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 1506400016 LMCIVFVQXMPVTD-SECBINFHSA-N 335.385 2.546 0 50 EFAA CN(C)c1ncc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529169354 XPBNJQSCUOMWMP-RBUKOAKNSA-N 338.455 2.895 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cccc3ccccc23)CC[C@@H]1O 1704332042 WGZJIBXPYYZHBX-AYOQOUSVSA-N 327.424 2.974 0 50 EFAA CN(Cc1c[nH]nc1-c1cccc(F)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704335470 AKJYZGUTKJFFEF-JKIFEVAISA-N 342.418 2.562 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN(CCO)Cc2[nH]cnc2C)c1 1704305465 JLTGUJQQEKQCGY-UHFFFAOYSA-N 339.443 2.720 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2nccnc2N(C)C)n1 1704301434 ZIHPWDRPHYGXTN-JTQLQIEISA-N 342.369 2.815 0 50 EFAA COc1cc(C)c(CN(CCN(C)C)Cc2[nH]cnc2C)cc1C 1704304840 IRSSNXGMBQNDBN-UHFFFAOYSA-N 330.476 2.907 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCC(=O)N(C)C1 1775983361 KWDCJJSJQKDSKW-CYBMUJFWSA-N 330.407 2.516 0 50 EFAA CCCOc1ccccc1-c1nnc(N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)o1 1772704074 ROFULAMTYKTNSE-PHZGNYQRSA-N 342.443 2.769 0 50 EFAA O=C(Nc1cccs1)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12091933 JXAYJWRGUDQPKN-AWEZNQCLSA-N 329.425 2.713 0 50 EFAA Cc1cccc(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 12298645 PENQQVVLHWUCIL-FQEVSTJZSA-N 343.471 2.891 0 50 EFAA C=CC[C@@H]1N(c2ccccc2Cl)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 13644662 WUUOXQDEXRFYJX-FQRJBHLQSA-N 345.782 2.656 0 50 EFAA O=C(Cn1ccnc1)NCc1cccnc1Oc1ccc(F)cc1F 15080548 FJEFUJXOLAREKR-UHFFFAOYSA-N 344.321 2.665 0 50 EFAA C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 18046623 ILZQJTDKIRMNMZ-ZDUSSCGKSA-N 343.452 2.930 0 50 EFAA NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1 19871822 VXZRQQMOCBAJCN-UHFFFAOYSA-N 340.448 2.820 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2cc(OC)ccc21)C(=O)O 207894564 SXNVCHDJRLCHSL-SJKOYZFVSA-N 332.400 2.656 0 50 EFAA CC(=O)N1CCC(NC(=O)CSCC=Cc2ccccc2)CC1 1857533065 LPRBLDFCDWWLJP-UHFFFAOYSA-N 332.469 2.560 0 50 EFAA Cc1ccc2ncnc(N3CCN(c4ccc(Cl)cn4)CC3)c2n1 1857678719 LYZKYWXQERPLJW-UHFFFAOYSA-N 340.818 2.708 0 50 EFAA Cc1ccc2ncnc(N3CCN(c4ccc(F)cc4F)CC3)c2n1 1857682004 LSVBYDSLRZKZGS-UHFFFAOYSA-N 341.365 2.938 0 50 EFAA Nc1nccnc1C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 122573961 YIGOHDGLWCLQTK-GFCCVEGCSA-N 346.818 2.643 0 50 EFAA C[C@H](c1nc2ccccc2s1)N1CCN([C@@H](C(=O)O)C2CC2)CC1 635015683 HCVSNXZMRKQUON-MLGOLLRUSA-N 345.468 2.838 0 50 EFAA Cc1cccn(CC(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1=O 124270700 YNRWCPMSLHYESS-HNNXBMFYSA-N 346.814 2.840 0 50 EFAA COc1cccc(CN2CCC[C@H]2c2ccc(N(C)C)nn2)c1OC 643707219 QOYMSQYPRFQGBL-INIZCTEOSA-N 342.443 2.897 0 50 EFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN[C@@H](c2ccncc2)C1 337654595 NAECGMLOJBMYAV-CXAGYDPISA-N 345.830 2.675 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)c2cnc3n[nH]c(C)c3c2)o1 132334409 KMFKFYOLAIDUAN-AWEZNQCLSA-N 328.372 2.539 0 50 EFAA Cn1ncc(C(=O)NCC2(Cc3ccccc3)CC2)c1-n1cccc1 151554207 RSEOAYGPQSYIDS-UHFFFAOYSA-N 334.423 2.964 0 50 EFAA CC[C@H]1CN(C(=O)Cn2ncc3cc(C)cnc32)c2ccccc2O1 903629304 YWXLLTRNJIMUPM-HNNXBMFYSA-N 336.395 2.944 0 50 EFAA CCc1oc(C(=O)O)cc1CN1CCOC[C@@H]1CC1CCOCC1 903960823 BXTGNKHWTAXSOV-HNNXBMFYSA-N 337.416 2.558 0 50 EFAA CC(C)(C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2)c1ccccc1 1704298058 DNCYOVKPVNSDKO-IBGZPJMESA-N 331.456 2.887 0 50 EFAA C[C@H](O)CN(C)C1CCN(C(=O)Nc2ccc(C3CCC3)cn2)CC1 931575955 ZWPONGREWJANPA-AWEZNQCLSA-N 346.475 2.658 0 50 EFAA C[C@@H]1c2ccccc2C[C@@H]1C(=O)NCc1ccccc1Cn1cncn1 2325792427 AKYSSKSQTRSFIS-QRWLVFNGSA-N 346.434 2.919 0 50 EFAA Cc1sc2ncn(CC(=O)OCc3ccccc3)c(=O)c2c1C 144611 BPQWLLUKHYZPKO-UHFFFAOYSA-N 328.393 2.818 0 50 EFAA O=C(Cc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 269957 LIXCGTOGASQPEM-MRXNPFEDSA-N 349.312 2.512 0 50 EFAA CCOc1cc(C(=O)N[C@@H](C)COC)cc(OCC)c1OCC 456753 ZLXUKKZYILPGRB-LBPRGKRZSA-N 325.405 2.647 0 50 EFAA CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 611947 WUFBHTYXSVYGHC-UHFFFAOYSA-N 337.422 2.981 0 50 EFAA CC(C)c1ccc(CN2CCC[C@@]23CCCN(CCO)C3=O)cc1 2356134469 OHRJIIPUPQTJEF-HXUWFJFHSA-N 330.472 2.759 0 50 EFAA CSc1nsc(SC)c1NC(=O)OCCN1CCOC1=O 3087898 NTBJDTLTDLLVIZ-UHFFFAOYSA-N 349.459 2.588 0 50 EFAA C[C@H](C(=O)O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4703674 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EFAA O=C(Nc1nncn1-c1ccccc1)[C@@H]1CCCN1c1ccccc1 252503876 VGXJKPHAZGQXNR-KRWDZBQOSA-N 333.395 2.875 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1nc2ccccc2[nH]1 67834423 VRFZOBBWBJPUTP-UHFFFAOYSA-N 333.351 2.885 0 50 EFAA CCCc1nc(CN2CCC[C@H]2[C@@](C)(O)c2ccc(OC)cc2)no1 253395565 WNQYKQZQNUBOOT-LPHOPBHVSA-N 345.443 2.903 0 50 EFAA C[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)N(C)C 356243447 BYGFKCANHSKXBA-VBKZILBWSA-N 336.439 2.913 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1c1nc[nH]n1 357579058 GRODNUQFLLERPJ-INIZCTEOSA-N 338.415 2.607 0 50 EFAA Cc1nn2c3ccccc3n(CCOc3ccc(F)cc3)c2nc1=O 6659448 HGRDICKQUSKSHK-UHFFFAOYSA-N 338.342 2.571 0 50 EFAA CCCN1CC2(CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1C(=O)O 72426576 CJAUBSTYLXFLMT-MRXNPFEDSA-N 348.418 2.617 0 50 EFAA CCOc1cc(CN2CCC(F)CC2)ccc1O[C@@H](C)C(=O)O 216329207 NCTGLWJICBZTPC-LBPRGKRZSA-N 325.380 2.871 0 50 EFAA O=C(CSc1nnc(S)s1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 153959111 MASNKHPOKHAFSJ-KGYLQXTDSA-N 349.506 2.764 0 50 EFAA COC(=O)CNC(=O)C[C@H](c1cccc(Cl)c1)c1ccccc1O 11662775 JKZCEVUBJBWOAP-OAHLLOKOSA-N 347.798 2.857 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 332323575 SCQXTMNYFSUAEE-CWLKWCNXSA-N 344.455 2.892 0 50 EFAA CCOC(=O)CC(C)(C)CC(=O)N1CCN2CCOc3cccc1c32 367922165 UGTRMKBYFBBXBM-UHFFFAOYSA-N 346.427 2.602 0 50 EFAA Cc1ccc2cc(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)ccc2n1 456203790 WHVQCUNYAGGRJF-INIZCTEOSA-N 346.452 2.583 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2sc(N)nc2C)[C@@H](C)C1 77377083 LPNTXQQUDPRYGK-LBPRGKRZSA-N 330.457 2.693 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCO[C@H](c2ccsc2)C1 262201858 SEVXANHAJJMNHQ-INIZCTEOSA-N 345.420 2.979 0 50 EFAA Cc1ccc(F)c(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c1F 219352794 NJPDXBBDVMSCTE-ZIAGYGMSSA-N 325.355 2.587 0 50 EFAA O=C(c1cnc2ccccc2n1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 339439152 ZINGLEPATHKHPU-KDOFPFPSSA-N 337.354 2.717 0 50 EFAA NC[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccn2)cc1 237852432 YSFPYZJUQYUXGS-KRWDZBQOSA-N 325.412 2.614 0 50 EFAA COc1c(F)cc(CN2CCC[C@@]3(CC2)CNC(=O)O3)cc1Cl 72157401 NWTRMUPKSNJISR-MRXNPFEDSA-N 342.798 2.952 0 50 EFAA CCCN1CC2(CCN(c3ncncc3C(C)C)CC2)C[C@H]1C(=O)O 72164520 SBBDFRRYTWYIRM-INIZCTEOSA-N 346.475 2.756 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)c1cc(C)nc(C)c1)C2 215297723 KTIXQWOJDLFZOV-CQSZACIVSA-N 326.396 2.688 0 50 EFAA C[C@H](C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)c1cccnc1 174612848 WOAAFOWGHNEFHE-HKUYNNGSSA-N 337.467 2.866 0 50 EFAA COc1ccc(CN2CCN(C)[C@H](c3nc(C)no3)C2)cc1Cl 285669122 YYBLISJYUQITPG-AWEZNQCLSA-N 336.823 2.529 0 50 EFAA CCOCC(=O)Nc1cc(C(=O)OC)c(Br)cc1C 341045960 FLRKCZRUVAWYJZ-UHFFFAOYSA-N 330.178 2.519 0 50 EFAA CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 240902806 IVMMWBHJQCCFBT-FHLIZLRMSA-N 349.906 2.586 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C1 286622448 CMXBMZTUGHUHDZ-WUHRBBMRSA-N 348.472 2.776 0 50 EFAA COc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1F 177770177 IEXQMLIWZWKXBA-CZUORRHYSA-N 346.406 2.824 0 50 EFAA CN(C)Cc1cccc(CN(C)C(=O)NCC(C)(C)N2CCCC2)c1 426442497 GXELYMYBSQBBJX-UHFFFAOYSA-N 346.519 2.764 0 50 EFAA CC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)OCCO1 179575605 GWISVTMDLVTTNE-UHFFFAOYSA-N 342.842 2.796 0 50 EFAA COc1cc(CN2CCN(c3ccccc3C)C(=O)C2)ccc1F 82083179 VDBHKGYPSNSUAH-UHFFFAOYSA-N 328.387 2.992 0 50 EFAA O=C(Nc1nnc(-c2cc(F)ccc2F)s1)c1csnn1 334162322 MGMFRASWACHHGN-UHFFFAOYSA-N 325.325 2.587 0 50 EFAA CCCSCC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82096184 UWHXOUXNJNBNTD-UHFFFAOYSA-N 326.849 2.658 0 50 EFAA Cc1nnc2n1[C@H](C)CN(C(=O)CCSCc1ccccc1)C2 96131648 NNOJRQOQIPMKRB-CYBMUJFWSA-N 330.457 2.813 0 50 EFAA COc1ccccc1CNC[C@@H](C)N1CCN(c2ccccc2)CC1 237174347 JGFUSLCLTPOIMC-GOSISDBHSA-N 339.483 2.996 0 50 EFAA CCOC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95355264 JAMIGSSCTKBASR-IAOVAPTHSA-N 336.382 2.983 0 50 EFAA CC1(C(=O)NCCc2ccccc2OC(F)(F)F)CCNCC1 96138597 IKQXPNOPSPOMRE-UHFFFAOYSA-N 330.350 2.634 0 50 EFAA CCOc1ncccc1[C@@H](C(=O)O)N1CCC(N2CCCCC2)CC1 95527418 BUGHCAHQSGLPEB-KRWDZBQOSA-N 347.459 2.556 0 50 EFAA O=C([C@H]1CCCCC12OCCO2)N1CCO[C@H](c2ccccc2)C1 334160463 FDNIQBQHPFKADZ-SJORKVTESA-N 331.412 2.520 0 50 EFAA Cc1cc([C@@H]2CCCCN2C(=O)C2CCN(C(=O)C3CC3)CC2)no1 95378174 OMRUAYAQFVKIDX-KRWDZBQOSA-N 345.443 2.685 0 50 EFAA O=C(Nc1ccsc1C(=O)N[C@H]1CCCOCC1)c1ccncc1 182132421 HBMRIJPKBFQYSI-ZDUSSCGKSA-N 345.424 2.694 0 50 EFAA C[C@@H](c1ccncn1)N(C)Cc1cc(Cl)ccc1OCC(=O)O 244723853 MIROJLFEOKLNNZ-NSHDSACASA-N 335.791 2.786 0 50 EFAA O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)NC1(Cc2ccc(F)cc2)CCOCC1 297118358 GHTDXNNEMQHNRN-ZACQAIPSSA-N 348.418 2.537 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(-c2ncc[nH]2)c1 244678447 ICYIBQRLOHRBBN-BQFCYCMXSA-N 348.406 2.714 0 50 EFAA CCc1nnc(NC(=O)CCN(C)C2Cc3ccccc3C2)s1 244700992 JXYZAOMCCNZQTL-UHFFFAOYSA-N 330.457 2.528 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2CC[C@](C)(C(=O)O)C2)cc1OC 299746367 WXAHTNQDILKLQX-INIZCTEOSA-N 341.791 2.684 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2cc(O)nc3ccccc23)CC1 299745783 SJELNWQCYXDZCY-LBPRGKRZSA-N 328.368 2.657 0 50 EFAA CCC(=O)N1CSC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 863950268 HRWHSTMNSINXFW-AWEZNQCLSA-N 346.456 2.782 0 50 EFAA CC[C@@H](C)[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C)C(=O)O 253410439 NJBVEHFDIDGBRB-HWPZZCPQSA-N 347.390 2.682 0 50 EFAA Cc1ccc(C(=O)NCc2cccc(F)c2F)cc1OCCCN 299764468 HBEFLYIAZBAHGH-UHFFFAOYSA-N 334.366 2.931 0 50 EFAA Cc1ccc(C[C@@H](NC(=O)N2CC[C@](C)(O)C2)c2ccccn2)cc1 185444870 FYIPTGFDTCEGFL-QUCCMNQESA-N 339.439 2.840 0 50 EFAA Cc1cc(C)n(CC(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)n1 827864695 SNOVUBJVZPGYKP-ZDUSSCGKSA-N 326.400 2.654 0 50 EFAA Cc1cccn2c(CC(=O)N[C@H](C)c3nc(C(C)C)no3)cnc12 827855590 LKIURYYHHNTCNY-GFCCVEGCSA-N 327.388 2.569 0 50 EFAA CC[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)C(=O)N(C)C 584886193 PYNSCJZLQAXOGU-CYBMUJFWSA-N 345.365 2.714 0 50 EFAA Cc1cccnc1CN(C)C(=O)NC[C@@H]1CCN(C2CCCC2)C1 584904199 IWKICMCYCVEUIG-INIZCTEOSA-N 330.476 2.796 0 50 EFAA CCc1csc(CNC(=O)c2cnn(Cc3ccccc3)c2)n1 670442994 ONQVJRBLNWOYAR-UHFFFAOYSA-N 326.425 2.880 0 50 EFAA CO[C@@H]1C[C@H](CNCc2cccc3ccoc23)N(c2ccncn2)C1 952887200 KLHVAHLEPSIXPJ-IAGOWNOFSA-N 338.411 2.606 0 50 EFAA Cc1nc([C@H]2CCCN2Cc2nc3ccccc3c(=O)n2C)[nH]c1C 952879993 IMGCVRSXMHUVAP-MRXNPFEDSA-N 337.427 2.611 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(C)cc2OC)cn1 952992270 CJVBCWCKCJRYRI-AEFFLSMTSA-N 343.427 2.870 0 50 EFAA C[C@H](NC(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)C1CCC(F)(F)CC1 952961734 SRFARQFYKAFOCG-UBHSHLNASA-N 343.418 2.653 0 50 EFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@@H]2[C@H]2CCCNC2)cc1 1875292484 JQOXPIICWFUUGQ-CEWLAPEOSA-N 349.478 2.930 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)nn1 1875283124 GYYLPQNEJRCCCP-NSHDSACASA-N 338.770 2.606 0 50 EFAA Brc1cncc(N[C@@H]2C[C@H]2c2cccc3c2OCCO3)n1 1875294102 AAIKNUGTMIPGRL-WDEREUQCSA-N 348.200 2.978 0 50 EFAA C[C@@H](NC(=O)c1ccn2ccnc2n1)c1ccc(C(F)(F)F)nc1 1875327609 BNXQTXQXKWELOO-SECBINFHSA-N 335.289 2.634 0 50 EFAA Cc1ccc([C@H](N)CNC(=O)c2c[nH]nc2-c2cccc(F)c2)cc1 1875348773 CEGZFZNHDIHKCI-QGZVFWFLSA-N 338.386 2.954 0 50 EFAA O=C(c1ccc(N[C@H]2CCc3ccccc3C2)nc1)N1CCOCC1 881763519 ZPAOYJJRDSOWCF-SFHVURJKSA-N 337.423 2.523 0 50 EFAA O=C(CCN1CCCCCC1=O)Nc1cccc(-n2cccn2)c1 952985724 COJHFFUUZGJRRD-UHFFFAOYSA-N 326.400 2.604 0 50 EFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccc(C)s3)C2)ccn1 886044995 UVPDQVZEKMRAQH-QGZVFWFLSA-N 345.468 2.741 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(CC2=CCCOC2)C1 886079309 GAWBDDIDVCLKCZ-AEFFLSMTSA-N 340.427 2.580 0 50 EFAA Cc1nocc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 888097876 RRRORZVTSKCNAP-FZKQIMNGSA-N 342.399 2.512 0 50 EFAA Clc1cccc(-c2nnc(N3CCO[C@]4(CCCOC4)C3)o2)c1 893813611 MOYIDKCPQDPICG-MRXNPFEDSA-N 335.791 2.776 0 50 EFAA Cn1cc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3n3ccnc3)c2)cn1 889017188 NSAIKPRCAMPVGI-MSOLQXFVSA-N 335.411 2.807 0 50 EFAA O=C(Nc1cccc(Oc2ccccc2)n1)C1CCS(=O)(=O)CC1 889469595 JYWXAVNLQVZDNZ-UHFFFAOYSA-N 346.408 2.637 0 50 EFAA COc1cnc([C@H]2CCCN2C(=O)c2coc(C(F)F)c2)nc1O 889785645 HOGIHRPTSRANLF-SECBINFHSA-N 339.298 2.699 0 50 EFAA C[C@H]1CN(c2ccnc(-c3nccs3)n2)CCN(C2CCC2)C1 631282531 UTFOUVZDNRTNKT-CYBMUJFWSA-N 329.473 2.911 0 50 EFAA C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Cc2c[nH]c3ncccc23)C1 170079281 KMGHLSYRDCRQGK-YJYMSZOUSA-N 329.444 2.799 0 50 EFAA Cc1cccc(NC(=O)C2CCN(c3nc(C)cnc3C)CC2)n1 170079742 ZNXUFUYWIHPBEZ-UHFFFAOYSA-N 325.416 2.652 0 50 EFAA CN(C(=O)Cc1ccc(F)cc1Br)c1cnn(C)c1 186564938 ODRPIEKXPLGVTE-UHFFFAOYSA-N 326.169 2.527 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CC(=O)N(C2CC2)C1 279616494 SMXKWNFHMDVDTR-KRWDZBQOSA-N 331.391 2.641 0 50 EFAA CN(C)[C@H](CNC(=O)NCCc1ccccc1O)c1ccccc1 171579567 BTVOJGVAAKECGA-QGZVFWFLSA-N 327.428 2.537 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C)n1 190629882 ZAVKRDHVJACCJJ-SFHVURJKSA-N 338.455 2.688 0 50 EFAA CN1C(=O)CC[C@@H](C(=O)NCC(F)(F)C(F)F)[C@H]1c1ccccc1 192024365 AZIBHLSUPPIMAC-DGCLKSJQSA-N 346.324 2.613 0 50 EFAA C[C@@H]1CCc2ccccc2N1C(=O)CNc1cccc2c1C(=O)NC2 192586250 BSBLZFFTEYVFIS-CYBMUJFWSA-N 335.407 2.710 0 50 EFAA Cc1cc(O)nc([C@@H](C)N(C)Cc2cc(Br)cn2C)n1 192621275 UTTZGTJNHQPZQP-SNVBAGLBSA-N 339.237 2.785 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC(Nc3nccs3)CC2)cc1 192970521 YCTHNEQTCQIDCC-UHFFFAOYSA-N 337.470 2.717 0 50 EFAA COc1cccc(C[C@H]2CCCN2C(=O)NC[C@H]2C[C@@H](N(C)C)C2)c1 654658376 OXGCMLKEGNNVGB-KURKYZTESA-N 345.487 2.752 0 50 EFAA Cc1cccnc1CN1CCN(Cc2cc(-c3cccnc3)no2)CC1 1506418262 GSEXWSTWCQZUSD-UHFFFAOYSA-N 349.438 2.758 0 50 EFAA CCc1nn(C)c(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1C 1529186427 YSWMWKMABJJLDX-AWEZNQCLSA-N 326.444 2.676 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1sc(C(C)C)nc1C 1704308015 CIXXNWUQSSKFEQ-UHFFFAOYSA-N 349.504 2.810 0 50 EFAA CN1CC[C@](C)(CN(C)c2noc(-c3ccccc3)c2C(=O)O)C1 1704305654 MOGNRRIVKAWAJO-SFHVURJKSA-N 329.400 2.818 0 50 EFAA CCc1cc(CN2CCCN(C(=O)Cc3cccs3)CC2)on1 1775984539 YFFTXUATCVHXQP-UHFFFAOYSA-N 333.457 2.576 0 50 EFAA CCN(CC)C[C@@H](O)COc1ccc(CNCC(C)C)cc1OC 11661651 CHSRCWZKCNDINC-QGZVFWFLSA-N 338.492 2.522 0 50 EFAA CN(C)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 11817764 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C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCCc2ccn(C)n2)C1 680630670 TWVVWQQLHIGUPB-SUMWQHHRSA-N 330.407 2.894 0 50 EFAA Cc1nc(N2CCN(Cc3nc(C(C)(C)C)no3)CC2)sc1C 157655286 PYHUHENGUSBIGI-UHFFFAOYSA-N 335.477 2.763 0 50 EFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2noc(C3CC3)n2)cc1 818023978 GKTIRYMCMSEIFI-APWZRJJASA-N 343.427 2.828 0 50 EFAA Cc1c(Br)cccc1CCNC(=O)c1cnns1 830562357 PRPLUCGELDJTFN-UHFFFAOYSA-N 326.219 2.582 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cccc3c2OCC3)C1 934541139 JCMVWUIWCNCVEU-OAHLLOKOSA-N 338.407 2.639 0 50 EFAA C[C@@]1(CCCO)CCCN1C(=O)Cc1cccc(C(F)(F)F)n1 935187204 PFLVKXYLRYREOG-HNNXBMFYSA-N 330.350 2.797 0 50 EFAA C[C@@H]1CNC[C@H](c2nc(-c3cccnc3OC3CCCC3)no2)O1 854137051 NQXWEYQZGDCYCD-BXUZGUMPSA-N 330.388 2.502 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 19720580 ZYJWUGQALZFVEX-GOSISDBHSA-N 338.407 2.550 0 50 EFAA O=C(Cn1cc(-c2cccc3cnccc23)nn1)N1CCC=C(F)C1 2325793265 NKRUPJXCPGCWBA-UHFFFAOYSA-N 337.358 2.579 0 50 EFAA O=C(NC[C@@H]1NCCc2ccccc21)c1c(Cl)ccc2c[nH]nc12 2325857931 VDWMOHCFGZGXGN-HNNXBMFYSA-N 340.814 2.833 0 50 EFAA CCOC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C 315081 SMVFNCCWBTYPKK-UHFFFAOYSA-N 338.360 2.785 0 50 EFAA CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1 528762 UOVZBDDHUTURET-OAHLLOKOSA-N 347.436 2.846 0 50 EFAA COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 2828151 JXGCLMZOZQWPJY-UHFFFAOYSA-N 347.367 2.982 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 246674822 FTRVGBZTWRFSHL-CQDKDKBSSA-N 326.362 2.877 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 4868087 DOUFEIKUCKMMGP-GTNSWQLSSA-N 326.352 2.812 0 50 EFAA CC1(C)CC(NS(=O)(=O)c2ccccc2Cl)CC(C)(C)N1 6729403 FQNIXRJCEXNWEJ-UHFFFAOYSA-N 330.881 2.928 0 50 EFAA CCC[C@@H](CC)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 225549516 QYBBENMKFFFLOD-CABCVRRESA-N 328.478 2.915 0 50 EFAA COCCCCC(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C 225660628 OIEJLFXODZZSKC-UHFFFAOYSA-N 334.460 2.875 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225681132 DYUOMZRFZGSPCU-QZTJIDSGSA-N 329.371 2.677 0 50 EFAA O=C(COc1ccnc(C(F)(F)F)c1)NCc1ccccc1F 225654122 YVJMGEKJQMTXIX-UHFFFAOYSA-N 328.265 2.935 0 50 EFAA CC(C)COc1cccc(N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 111372542 DNAICRFPAYNUAO-KRWDZBQOSA-N 328.416 2.672 0 50 EFAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H]2C=C[C@H]1C2 100625919 VVBQHCRMLCIBDR-VJANTYMQSA-N 339.435 2.991 0 50 EFAA CC1(C)Cc2cccc(CN3CCN(CC(F)(F)F)C(=O)C3)c2O1 348786688 VAIKCBKUGHAUPK-UHFFFAOYSA-N 342.361 2.607 0 50 EFAA COc1ccc(C2(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)CC2)cc1 67695717 RVTMVRUFCIKRQN-AWEZNQCLSA-N 325.412 2.856 0 50 EFAA C[C@@H](c1ccccc1)n1c(SCC(=O)O)nnc1-c1cnccn1 67770701 AYRRZKYXGXBNQQ-NSHDSACASA-N 341.396 2.521 0 50 EFAA COC(=O)c1c(NC(=O)/C=C(\C)C(=O)O)sc2c1CC[C@H](C)C2 2783152 OKPPJNQZQYHZNK-INTFFVIUSA-N 337.397 2.629 0 50 EFAA CC[C@H](C)c1ccc(NC(=O)C[C@@](O)(C(=O)OC)C(F)(F)F)cc1 2767776 XFVUMXNZXMZRNT-ZUZCIYMTSA-N 347.333 2.995 0 50 EFAA Cn1cc(Br)c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1 5045020 IPJKLVYQXOSCPV-UHFFFAOYSA-N 338.249 2.881 0 50 EFAA Cc1ccc(CNC(=S)N2CCN(c3ccccc3O)CC2)cc1 6400637 ONRQENNWJGYWFU-UHFFFAOYSA-N 341.480 2.897 0 50 EFAA Cc1cc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)nnc1C 328647293 TXAMGMVTKMDAAG-HNNXBMFYSA-N 331.489 2.817 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCc3ccccc3[C@@H]2CO)n1 332107438 DQIBZYOBUPTWQV-QAPCUYQASA-N 327.428 2.569 0 50 EFAA C[C@@]1(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)CCCCO1 77419943 LCDBCXOGABYLLI-NRFANRHFSA-N 342.483 2.647 0 50 EFAA CC(=O)Nc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1C 71416383 NCVMSZQHDDOMPM-UHFFFAOYSA-N 330.428 2.986 0 50 EFAA O=C(Cc1cncs1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 329958794 MUDXXHIZJPSEHK-SNVBAGLBSA-N 344.362 2.765 0 50 EFAA CC(=O)NCc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1 361510180 ZFKPRNNJRVDPOZ-UHFFFAOYSA-N 344.440 2.978 0 50 EFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C)cc(F)c1 152933118 LCUDMDKHYFQREL-ZDUSSCGKSA-N 333.367 2.529 0 50 EFAA CCn1c(C(=O)NCC2CCN(C(C)=O)CC2)cc2ccccc21 332381042 VAWCRGKVQQBYQU-UHFFFAOYSA-N 327.428 2.650 0 50 EFAA CC(=O)NCCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 363386842 VPVDZAQDVHAUBP-AWEZNQCLSA-N 343.349 2.688 0 50 EFAA CN1CCC(CNC(=O)Nc2cccc(F)c2)(N2CCCCC2)CC1 363430552 BUCZPHDUKGANHI-UHFFFAOYSA-N 348.466 2.898 0 50 EFAA CCCN(CC(=O)O)C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 364195922 OOWPSTOAIARAFX-QGZVFWFLSA-N 332.444 2.673 0 50 EFAA O=C(NCc1noc(-c2cccc(F)c2)n1)c1noc2c1CCCC2 364377232 HGZFDVRPZVPMFZ-UHFFFAOYSA-N 342.330 2.673 0 50 EFAA Cc1cccc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n1 77288205 FURUFDCDVNWXET-UHFFFAOYSA-N 335.451 2.705 0 50 EFAA Cc1cnccc1OC1CCN(Cc2ncc([C@@H](C)O)s2)CC1 366093267 PCYTZHUZDSVAJQ-CYBMUJFWSA-N 333.457 2.943 0 50 EFAA O=C(Cc1c(Cl)cccc1Cl)N[C@H](C(=O)O)[C@@H]1CCCOC1 262877555 XGUNFTWKUDSZHX-OTYXRUKQSA-N 346.210 2.532 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 77523428 NMNIKGUADWVQRS-SFHVURJKSA-N 340.467 2.968 0 50 EFAA CC[C@@H]1CN(c2cc(OC)ncn2)CCC(=O)N1Cc1ccccc1 71775783 IHTIUYIMBPGMNC-MRXNPFEDSA-N 340.427 2.503 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 238057522 ZBNWCHOSGXONOV-HNNXBMFYSA-N 325.364 2.669 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@H](c3nccs3)C2)cc1 241409075 NEKKTRGKFHUIME-AWEZNQCLSA-N 338.454 2.515 0 50 EFAA CSc1cccc(C)c1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 241586395 OVRMMUXAZOBHST-LLVKDONJSA-N 348.428 2.805 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)[nH]n1 286083947 DNENZQMCAGTPMG-SNVBAGLBSA-N 343.309 2.573 0 50 EFAA C[C@H]1C[C@H](CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C 496470009 AAFVQTOPNFNEFD-LSDHHAIUSA-N 336.480 2.888 0 50 EFAA CN(C(=O)C1CCC(F)(F)CC1)c1ccc(OCC(=O)O)cc1 263201529 YQECRSQHCDHMFS-UHFFFAOYSA-N 327.327 2.938 0 50 EFAA CCN1CC[C@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 413818980 POINIJVSQUVNBY-AWEZNQCLSA-N 329.366 2.941 0 50 EFAA O=C(CNC(=O)c1ncccc1Oc1ccccc1)Nc1cccnc1 225645182 ABGORWLRRCIBHT-UHFFFAOYSA-N 348.362 2.637 0 50 EFAA O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCC[C@@H](O)C1 220734484 JMJFHYRDDXEWTO-WCQYABFASA-N 335.835 2.816 0 50 EFAA C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)n(C)n1)C(C)(C)C 20617480 XRCLOSFCBFNGLE-VXGBXAGGSA-N 336.480 2.749 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@@H](C)Sc3ccccn3)nc2c1 84970423 OEYXYKWKCJYHNH-CYBMUJFWSA-N 326.425 2.835 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289243914 ZXAVMAHDXRFJBQ-ZDUSSCGKSA-N 330.436 2.646 0 50 EFAA CC1CCN(Cc2ccc(C(=O)NCCc3csc(N)n3)o2)CC1 220739706 YUKIURGVAMMFHH-UHFFFAOYSA-N 348.472 2.523 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)nc1C 185004341 JMRVKJDKTIFWDY-XJKSGUPXSA-N 347.365 2.628 0 50 EFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 426404140 DNEPMVOWPAMVHJ-HNNXBMFYSA-N 328.416 2.881 0 50 EFAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1ccc2nccn2c1 221203769 IXONDQJXFZCXOL-UHFFFAOYSA-N 339.786 2.837 0 50 EFAA CC1(C)CN(C(=O)c2n[nH]c3ccccc23)C[C@@H](C(F)(F)F)O1 292386933 NJIVLEGMUVNIPC-NSHDSACASA-N 327.306 2.745 0 50 EFAA CCN1C[C@@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O 95391997 XRQLCTSKYWQIPO-KRWDZBQOSA-N 328.456 2.555 0 50 EFAA O=C(COc1ccc(Cl)cc1Cl)N1CCc2n[nH]cc2C1 91649702 ZRPVMCZJPQPVCK-UHFFFAOYSA-N 326.183 2.680 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1NC(=O)N(C)C 91535924 HKAHZCZFPJEDOJ-JKSUJKDBSA-N 343.427 2.801 0 50 EFAA COCCN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91664995 NDHDQJXYFUXXIE-VMPITWQZSA-N 328.456 2.661 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)CSc1ccccn1)C2 95389266 YKORWXIIQBIAGW-ZDUSSCGKSA-N 344.436 2.550 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H]1N(C)C 92097052 YIBMOXAZHSWZLV-WMZOPIPTSA-N 343.471 2.616 0 50 EFAA C[C@@H](NC(=O)CN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1 95499973 SIBKDSPKGDWTSN-CQSZACIVSA-N 328.412 2.573 0 50 EFAA Cc1nn(C)c2nc(N(CCCO)Cc3ccc(F)cc3)sc12 95527567 MPVLIRVHPXATOA-UHFFFAOYSA-N 334.420 2.866 0 50 EFAA CCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)cc1 230005895 NIYBJZDZJUWAQV-JNNCMOEMSA-N 327.380 2.793 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(c1ccc(Cl)cn1)C2 91620657 ZLGRJHHDKFHEFK-GOSISDBHSA-N 349.862 2.733 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95384808 HSVIOXGBMNNBSG-GOSISDBHSA-N 340.471 2.808 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCn2nccc2C)C1 95516849 QOLOAMVZCJWHBA-KRWDZBQOSA-N 343.475 2.984 0 50 EFAA Cc1nc(COCC(F)(F)C(F)F)n(-c2ccccc2C(=O)O)n1 96150397 PIZPPVNFGAEBPX-UHFFFAOYSA-N 347.268 2.691 0 50 EFAA COc1ccc2c(C)c(C(=O)N(C)CCc3noc(C)n3)oc2c1 92078125 IVYOZPIDPXUWFJ-UHFFFAOYSA-N 329.356 2.756 0 50 EFAA CN(CC(=O)Nc1nc(C(C)(C)C)cs1)C[C@H]1CCCCO1 244700854 JVFZXXXIPICZTL-GFCCVEGCSA-N 325.478 2.880 0 50 EFAA Cn1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c2ccccc21 244874296 WYMXSRJWLNXOKF-KSMMKXTCSA-N 335.407 2.815 0 50 EFAA O=C(N[C@H]1C[C@@H](c2cc(O)nc(N3CCCC3)n2)C1)C1CCCCC1 253535333 LLSKIFKNWNRXMZ-GASCZTMLSA-N 344.459 2.725 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CC[C@H](C(=O)O)CC1 253393421 OAZBJWHVPCKLEU-MQMHXKEQSA-N 332.375 2.788 0 50 EFAA Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N2CCC(C(=O)O)CC2)cc1 299752995 WKALNFYHYSTJRS-DLBZAZTESA-N 331.412 2.786 0 50 EFAA O=C(c1ccncc1Cl)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299741506 FKIVAKHBEGOENA-LBPRGKRZSA-N 331.807 2.509 0 50 EFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1scnc1C1CCCC1 184385708 XPSXRMXXVYHWFK-LLVKDONJSA-N 333.457 2.541 0 50 EFAA Cc1ccc(CN2CCN(Cc3nccn3C3CC3)[C@H](C)C2=O)cc1 252490426 KTCUDWPEAVYVSO-MRXNPFEDSA-N 338.455 2.759 0 50 EFAA CCc1nc(O)ccc1C(=O)NCc1cc2cc(OC)ccc2[nH]1 1940195511 URSZGDHFRZOVGZ-UHFFFAOYSA-N 325.368 2.770 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@H](C)N(C)C3CCCCC3)nc2c1 299770750 QVYZOAUGHBIJCY-ZDUSSCGKSA-N 344.459 2.841 0 50 EFAA COc1ccccc1OCCN1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 299767174 GWSQWANRLOAFRK-ZYSHUDEJSA-N 335.444 2.732 0 50 EFAA Cc1cncnc1C1CCN(C(=O)CSc2ccncc2)CC1 299784901 QOWXOJKOULFEGY-UHFFFAOYSA-N 328.441 2.678 0 50 EFAA Cc1cccnc1[C@@H](NC(=O)c1ccc(OCCCN)cc1)C1CC1 299793042 IXWMDLBQMJPGSC-IBGZPJMESA-N 339.439 2.999 0 50 EFAA CC(C)C[C@@H](NC(=O)c1cccs1)c1ncnn1CC(C)(C)O 821004203 WXNGXJSQFWDZTL-GFCCVEGCSA-N 336.461 2.628 0 50 EFAA O=C1C[C@H](c2nc(-c3ccccc3)nn2CCc2ccccc2)CN1 828304381 UINMOEIVJLIYMT-KRWDZBQOSA-N 332.407 2.791 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2C1)c1cccc(N2CCNC2=O)c1 584886955 CJHUTJGYMWMBGZ-QGZVFWFLSA-N 335.407 2.504 0 50 EFAA Cc1cc(S(=O)(=O)NCCSc2nnc(C)s2)c(C)s1 670467410 DFMAWKYOPMJZRQ-UHFFFAOYSA-N 349.528 2.595 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1F 952890699 YJFDCNIXEJPNCU-AWEZNQCLSA-N 349.337 2.682 0 50 EFAA O=C(N[C@@H]1CCOC12CCCCC2)c1ccnn1CC(F)(F)F 888311428 FZVWFLJVHXUVTE-GFCCVEGCSA-N 331.338 2.667 0 50 EFAA O=C(CCc1cccnc1)N1CCC(O)(Cc2ccccc2F)CC1 1771677848 SCWYWBFXMUTGIU-UHFFFAOYSA-N 342.414 2.750 0 50 EFAA COc1ccc2nccc(N3CCN(c4ccnc(C)n4)CC3)c2c1 893174439 ZTMNLSVTNAVDQX-UHFFFAOYSA-N 335.411 2.668 0 50 EFAA COc1ccc(Br)cc1-c1noc([C@@H]2COCCO2)n1 273971244 QHYOCNGEBRDJJM-NSHDSACASA-N 341.161 2.596 0 50 EFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1c1nccn2cnnc12 275827514 NTDYYKCPPSEVKY-RISCZKNCSA-N 329.791 2.744 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@@H](C)S1 170002588 PIVDFBFSDWBEKI-TXEJJXNPSA-N 335.473 2.807 0 50 EFAA Cn1cc(N2CCC[C@H](Nc3ccccc3OCC3CC3)C2=O)cn1 170000654 NATZGGMPNUVEHO-KRWDZBQOSA-N 340.427 2.816 0 50 EFAA CCn1c(S)nnc1C1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 170647256 LFOZCMIWXMDRKJ-STQMWFEESA-N 334.489 2.729 0 50 EFAA O=C1NCCCC[C@H]1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 187870198 SZUSHCRFGJBHII-HUUCEWRRSA-N 326.799 2.521 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CCC[C@@H]1c1cn[nH]c1 408522659 LGUFQBWMUDQOFW-OAHLLOKOSA-N 339.424 2.834 0 50 EFAA Cc1ccc([C@@H]2C[C@H]2NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 648517244 VUVQGYLOZOHIJE-YXJHDRRASA-N 336.391 2.757 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1COc2ccccc2C1 194618310 ZFWZXCKRNZYXDI-KRWDZBQOSA-N 348.406 2.675 0 50 EFAA CN1CCCN(C(=O)c2cccc(OCC(=O)O)c2)c2ccccc21 663110925 IVDPRTTUOLBFAT-UHFFFAOYSA-N 340.379 2.637 0 50 EFAA CN(CC1CC1)C[C@H]1CCN(C(=O)C2(C(=O)O)CCCCCC2)C1 663107816 NUMWCUMAYRXEPP-MRXNPFEDSA-N 336.476 2.602 0 50 EFAA Cc1nc(NCc2nc(C(N)=O)cs2)c2c3c(sc2n1)CCC3 664444867 OTEMBDQYLNHHEH-UHFFFAOYSA-N 345.453 2.656 0 50 EFAA CCCc1cc(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)n[nH]1 787828668 ARYDMCIFBWPVSN-AWEZNQCLSA-N 325.771 2.618 0 50 EFAA CCn1cc(CN(C)[C@H](C(=O)O)c2ccc(OC(C)C)cc2)cn1 1529098349 BCFOXMVWSVCKMU-KRWDZBQOSA-N 331.416 2.948 0 50 EFAA O=C1CCc2c1cccc2C(=O)N1CCCN(Cc2ccoc2)CC1 1529161828 RKLMQZVCDQXPDE-UHFFFAOYSA-N 338.407 2.757 0 50 EFAA CSCc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)o1 1704347385 KKVJQPWZRXXRHJ-HIFRSBDPSA-N 332.425 2.525 0 50 EFAA O[C@H]1CCCN(c2ccnc(N3CCc4c(Cl)cccc4C3)n2)C1 1704299824 KRNYRFGIGOXXIE-AWEZNQCLSA-N 344.846 2.654 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc3cc(O)ccc3c2)C[C@@H]1O 1704337381 RSSLMEPIXZDVTA-ICSRJNTNSA-N 343.423 2.983 0 50 EFAA CC[C@@H](C(=O)N1CCCN(C(=O)NC(C)C)CC1)c1ccccc1 1775983366 KXYHFTHAODGYPB-QGZVFWFLSA-N 331.460 2.833 0 50 EFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2ccco2)c1 12281156 IEZCYVRAAOURJG-INIZCTEOSA-N 328.412 2.959 0 50 EFAA O=C(Cn1ccccc1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 151740491 QQEIWBQSXAIAEK-INIZCTEOSA-N 338.407 2.801 0 50 EFAA C[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@]1(C)C(=O)O 1857530726 IZNBINLNHGMIKT-GTNSWQLSSA-N 347.802 2.709 0 50 EFAA O=C(NCC1(c2ccccc2F)CCCC1)[C@@H]1CCc2ncnn2C1 1857697195 JUBGYAAGLHUZSP-CQSZACIVSA-N 342.418 2.608 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3ccc(-c4ccccn4)cc3)C[C@@H]2O)n[nH]1 1857717761 XALGDSAIDHTWDW-NQIIRXRSSA-N 348.450 2.816 0 50 EFAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CC[C@H](c2ccccc2)N1 1857739575 WBSBSCRMNZAGSW-QZTJIDSGSA-N 348.406 2.846 0 50 EFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)n1 408031793 PSNSNPSCSKYJOV-LLVKDONJSA-N 341.820 2.518 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC 252490341 KPYJNTFBBJAAGH-OWCLPIDISA-N 331.522 2.727 0 50 EFAA COC[C@H](O)CNC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 252503713 VFZQGRSPHBUHDU-IEBWSBKVSA-N 340.423 2.647 0 50 EFAA C[C@@H](NC(=O)C1CC1)c1ccc(Br)cc1OCCCO 355328658 BHZDTCTTXVPMKK-SNVBAGLBSA-N 342.233 2.798 0 50 EFAA C[C@H](NC(=O)C1CC1)c1ccc(Br)cc1OCCCO 355328656 BHZDTCTTXVPMKK-JTQLQIEISA-N 342.233 2.798 0 50 EFAA COC[C@]1(C(=O)O)CCCN(C(=O)c2csc3c2CCCC3)C1 262904288 MPELGSVVNHWKBB-KRWDZBQOSA-N 337.441 2.580 0 50 EFAA C[C@H]1C[C@H]1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 162141312 CJVUMASYPITDPZ-SWLSCSKDSA-N 342.468 2.847 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)NCc2coc(-c3cccs3)n2)C1 264265847 NUCXWHSBOAKYJJ-CYBMUJFWSA-N 334.445 2.639 0 50 EFAA CN(C(=O)NCc1ccn(C)c1)C1CCN(Cc2ccccc2)CC1 267097179 SBOJWFIHJGRQJC-UHFFFAOYSA-N 340.471 2.831 0 50 EFAA CNc1cccc(-c2cn(Cc3cc(C(F)(F)F)nn3C)nn2)c1 900605984 QYJXCELSIQQJFX-UHFFFAOYSA-N 336.321 2.787 0 50 EFAA CC(C)c1cccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)n1 900797886 MBGIIPOXBXVHQM-UHFFFAOYSA-N 328.401 2.709 0 50 EFAA O=S(=O)(c1cccc2ccncc12)N1CCC[C@@H]1[C@@H]1CCCO1 915349258 RZULTGUUMMGGOG-CVEARBPZSA-N 332.425 2.567 0 50 EFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N(Cc1cccc(F)c1)C1CCC1 928668215 OONXUBGNTQZTDW-AWEZNQCLSA-N 337.416 2.655 0 50 EFAA CC(C)COC(=O)N1CCCN(Cc2c(F)cncc2F)CC1 929461186 XUIUBLRLCWTAAJ-UHFFFAOYSA-N 327.375 2.660 0 50 EFAA CC(C)C[C@H]1COCCN1C(=O)c1ccncc1Br 154884270 VFWDWOORCOWHAV-NSHDSACASA-N 327.222 2.731 0 50 EFAA Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc(F)cc3)cc2n(C)c1=O 99902 MFKVBFBYBQYJDA-UHFFFAOYSA-N 349.365 2.834 0 50 EFAA O=C(O)[C@@]1(F)CN(c2ncnc3[nH]c4ccccc4c23)CC12CCC2 910473979 DRYOZRKBYUHNNN-SFHVURJKSA-N 340.358 2.894 0 50 EFAA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)NC[C@H]1OCCc2ccccc21 82612 ZIPVWQKDALFCRB-BZUAXINKSA-N 349.814 2.650 0 50 EFAA O[C@H](CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2 310891 HZFUXWSPQMKYPC-MRXNPFEDSA-N 337.379 2.535 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1I 358783 LNEANDCDWYUSGV-NSHDSACASA-N 345.180 2.508 0 50 EFAA COc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1 615843 KMMYYEGQQSGQJB-GFCCVEGCSA-N 327.336 2.907 0 50 EFAA Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1Oc1ccccc1F 2885351 FOSQKYLZTPYVEO-UHFFFAOYSA-N 343.310 2.897 0 50 EFAA CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 2912064 AXRSPHGEZURIFQ-ZDUSSCGKSA-N 342.395 2.910 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(-c3ccccc3)no2)C1=O 2356151909 GGPWAQHIGRKCRE-LJQANCHMSA-N 339.395 2.569 0 50 EFAA O=C(NCc1cccc2ncnn12)[C@H]1CCCc2c1[nH]c1ccccc21 2356159142 NWGIYGPBHGCCTH-INIZCTEOSA-N 345.406 2.947 0 50 EFAA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)N2 3903596 SGIUGRJEUJGPLL-MRXNPFEDSA-N 325.368 2.770 0 50 EFAA Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ncccn2)cc1 4118162 VWJVQVZIPNLJGK-UHFFFAOYSA-N 337.470 2.634 0 50 EFAA COC(=O)c1cccc(C(=O)N(CCCO)Cc2ccc(C)s2)c1 55089563 IDUYJQFTFYQUPT-UHFFFAOYSA-N 347.436 2.868 0 50 EFAA OCC1CCN([C@H]2CCCN(C3C4CC5CC(C4)CC3C5)C2)CC1 23372884 NJMHRNBUCAJZMQ-OPFHRDBUSA-N 332.532 2.980 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 347198519 NBHRSVLSAKONAQ-GUDVDZBRSA-N 329.440 2.956 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)c2nnc3n2CCCC3)cc1Cl 55414060 VKTPFXUOFRKZPG-UHFFFAOYSA-N 347.806 2.869 0 50 EFAA CCc1noc(C)c1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 118988742 PQSBKOGKLIZRIG-NSHDSACASA-N 337.445 2.768 0 50 EFAA CCN(c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(=O)(=O)CC 67603699 JFONUXMHULDQSI-CQSZACIVSA-N 338.473 2.735 0 50 EFAA O=C(c1cccnn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67724595 ODZUMRSUSPYUEF-AWEZNQCLSA-N 338.194 2.997 0 50 EFAA Cc1cc(F)ccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 136711440 VNOGHUXAQAIFFK-UHFFFAOYSA-N 326.371 2.732 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@H]3C[C@H]3C3CCCCC3)C2)cn1 252515376 JCOKIYDGEIPCLV-WBAXXEDZSA-N 330.476 2.963 0 50 EFAA O=C(CN1CCCC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67973744 LLDBPYQBHQJILB-OAHLLOKOSA-N 343.254 2.989 0 50 EFAA CCCCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)n1 252676262 WOTSEPXKOCCNPE-ILXRZTDVSA-N 336.480 2.956 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 328641704 QTCRFHOXEHXVTM-LBPRGKRZSA-N 335.477 2.626 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2cccnc2)[C@@H]1c1cnn(C)c1 328648970 UVBHPVJQUQHWSE-PKOBYXMFSA-N 327.476 2.720 0 50 EFAA COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 153380 ZEWYWJINYJHKIJ-AWEZNQCLSA-N 339.800 2.533 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)N1CCCC[C@@H]1c1ncon1 328959010 PTVDEGSFNKTETI-CYBMUJFWSA-N 345.403 2.797 0 50 EFAA CCOC(=O)[C@@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 900660 IGUYEXXAGBDLLX-ZDUSSCGKSA-N 332.139 2.798 0 50 EFAA biogenic,in-vitro COC(=O)c1cncnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 253415472 GJTOKBOXNIMNGN-GDBMZVCRSA-N 327.384 2.843 0 50 EFAA Cc1[nH]c(C=O)cc1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 253407917 OOTRMGDHSVINLQ-ZDUSSCGKSA-N 331.441 2.716 0 50 EFAA Nc1nc(CCNC(=O)C2(N3CCCCC3)CCCCC2)cs1 218928729 ASEAKPMVXKVFGR-UHFFFAOYSA-N 336.505 2.573 0 50 EFAA COc1ccc([C@H](CC(=O)O)N2Cc3ccccc3C2=O)cc1OC 5661908 LGAZLBWJAFUDST-HNNXBMFYSA-N 341.363 2.876 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CCCN(C)C1 73208135 LTXLLIRNALVPQH-INIZCTEOSA-N 329.444 2.511 0 50 EFAA O=C(O)c1cccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)n1 362495688 DCVCOXYBLMZEFU-UHFFFAOYSA-N 349.350 2.695 0 50 EFAA CC[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1nccs1 127334771 DUVWMNYGHJBIDO-AWEZNQCLSA-N 330.457 2.812 0 50 EFAA Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCCC2 333849884 NFEXZQWOGJVHCD-UHFFFAOYSA-N 347.440 2.747 0 50 EFAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1 77487781 NYZOWDLFNOKJTJ-QGZVFWFLSA-N 334.460 2.758 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(C(=O)O)CC1 238032096 JZLDMZGQURFYHW-UHFFFAOYSA-N 337.375 2.854 0 50 EFAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2cccc(Cl)c2F)CC1 284648470 WPBCYABPLHBWGU-XJKSGUPXSA-N 340.826 2.582 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 375968812 LHHMNIVKVLNGIN-UHFFFAOYSA-N 325.372 2.721 0 50 EFAA O=C(O)c1ccc(C(=O)NCCc2nc3c(s2)CCCC3)s1 262661131 UKZXQCYITZHQEI-UHFFFAOYSA-N 336.438 2.754 0 50 EFAA Cc1cc(Cl)c2oc(C(=O)NCc3cc(=O)[nH]cn3)c(C)c2c1 77386237 DGDZMXGVNRYPFQ-UHFFFAOYSA-N 331.759 2.716 0 50 EFAA CC[C@H](CO)N(Cc1cn(-c2ccccc2)nn1)Cc1ccco1 215851924 STLALTSEBNYERJ-MRXNPFEDSA-N 326.400 2.633 0 50 EFAA C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)N(C)C 239667207 BPKLGHRNAYVLTL-SWHYSGLUSA-N 325.250 2.619 0 50 EFAA O=C(Nc1cccc([C@H](O)CO)c1)Nc1nc2c(s1)CCCC2 241739132 RAGUUNMCTINTMY-CYBMUJFWSA-N 333.413 2.692 0 50 EFAA O[C@@H](CN1CCC(CNc2ncc(Cl)cn2)CC1)c1ccccc1 242305018 YUBXGURCMNWPAM-KRWDZBQOSA-N 346.862 2.988 0 50 EFAA COc1cccc(CNC(=O)c2ccc(CN3CCCC3)cc2)n1 338723843 BDLUHRCTWJCNGD-UHFFFAOYSA-N 325.412 2.616 0 50 EFAA CCc1nccc(-c2nccn2[C@H](C(=O)OC)c2cccc(C)c2)n1 72173672 TURVIVOCVLSXFF-KRWDZBQOSA-N 336.395 2.973 0 50 EFAA O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCS[C@H]2CCCC[C@H]21 176236375 WCTKWUASOMXACW-MNOVXSKESA-N 346.374 2.894 0 50 EFAA COc1cc(N2CCC[C@H](N(C)CCc3ccccc3)C2)ncn1 72167149 FMXBTBDNWHBSPS-KRWDZBQOSA-N 326.444 2.629 0 50 EFAA CN(C)n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397337 PUDHOJNPCSGYMW-UHFFFAOYSA-N 339.786 2.562 0 50 EFAA O=C(CN1CCC[C@H](c2ccncc2)C1)Nc1ccc(Cl)cn1 289254454 COHSYRJHQBIDMB-AWEZNQCLSA-N 330.819 2.948 0 50 EFAA CCCCC[C@@H](O)/C=C/[C@H]1C[C@@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O 43772594 URVGHNOQCRQJTD-CJPGJVCBSA-N 342.476 2.877 0 50 EFAA in-vitro CCc1nnc(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)s1 264265171 JURJJKSNQQIRGY-UHFFFAOYSA-N 340.449 2.686 0 50 EFAA CNCc1nnc(SC[C@H](O)C2CC2)n1-c1cccc(Cl)c1 426652981 PTGGZQOJKNPTIK-ZDUSSCGKSA-N 338.864 2.503 0 50 EFAA Cc1cccc(-c2ccccc2C(=O)N2CCN3CCN(C)C[C@@H]3C2)c1 223474343 ZBGVUUOXWCJXCA-LJQANCHMSA-N 349.478 2.734 0 50 EFAA Cc1ccc2sc(C(=O)N3CCO[C@H](Cn4cccn4)C3)cc2c1 290904721 VYQHTMBXWMLVRL-HNNXBMFYSA-N 341.436 2.947 0 50 EFAA Cc1ccccc1OC[C@@H](O)C(=O)NCc1nc(C(C)(C)C)cs1 223086637 HMPCRACHBURWNR-CYBMUJFWSA-N 348.468 2.805 0 50 EFAA C[C@@H](NC(=O)c1cn(C)nc1C1CC1)c1ccc(Br)cn1 292130495 XNUKETBXCCFQDR-SECBINFHSA-N 349.232 2.946 0 50 EFAA COC(=O)N1[C@@H]2C[C@](C)(Br)[C@@](C)(Br)C[C@H]21 230113460 UMWVRFNGHWUNIB-XFFJFQIUSA-N 341.043 2.907 0 50 EFAA O=C(c1ccc(-c2cnc3ccccc3n2)cc1)N1CCC[C@H]1CO 426642928 QJSVEVDHQTUDPV-INIZCTEOSA-N 333.391 2.894 0 50 EFAA CC(C)Cc1ccc(CN2CCC[C@@H](c3nnc(CO)n3C)C2)s1 97492559 LFAWBSDTDWXLHZ-CQSZACIVSA-N 348.516 2.947 0 50 EFAA CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CCO1 141053444 UYHGJISLQLUZPX-UHFFFAOYSA-N 336.388 2.808 0 50 EFAA CCC[C@H]1CN(Cc2ccccc2C(=O)O)C[C@@H]1NC(=O)C1CCC1 91846672 KRVBWQHRFUWYTC-WMZOPIPTSA-N 344.455 2.902 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1 237290372 JNHCIZLFIQIBDY-INIZCTEOSA-N 326.352 2.766 0 50 EFAA Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 180337140 JTVFEZKZECFPFE-CABCVRRESA-N 328.368 2.622 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN(c4ccc5nncn5n4)C3)nc2c1 295050325 OORZODYCCHXEHR-ZDUSSCGKSA-N 333.399 2.693 0 50 EFAA Cc1ccccc1[C@H](C(=O)N(C)Cc1cc(C2CC2)[nH]n1)N(C)C 95390655 GFXARXYWBRDVNZ-GOSISDBHSA-N 326.444 2.857 0 50 EFAA O=C(NC[C@H]1CCCCC1(F)F)c1cnc(C2OCCO2)s1 295288519 AKMGAOXFPPPYBK-SECBINFHSA-N 332.372 2.744 0 50 EFAA Cc1ccc(OCCN(C)c2cc([C@H]3C[C@H](N)C3)ncn2)c(C)c1 244708161 KOUPANVYUYQLEI-WKILWMFISA-N 326.444 2.813 0 50 EFAA C[C@@H](C(=O)N1CCC(c2ccncn2)CC1)n1cnc2ccccc21 298458315 STAOKVIALVVXBF-AWEZNQCLSA-N 335.411 2.794 0 50 EFAA COc1ccccc1S(=O)(=O)N1C[C@H]2CCC(=O)c3cccc1c32 184961109 YJPQFJCRXDXLFG-GFCCVEGCSA-N 343.404 2.964 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCCCOC3CCCC3)C2)n1 534578297 JBFNPKNRCIHBEF-MRXNPFEDSA-N 334.464 2.806 0 50 EFAA CCC(=O)NCCNC(=O)NC[C@H](c1ccccc1)C1CCCC1 534586395 LSASRLLUWCWTRA-QGZVFWFLSA-N 331.460 2.786 0 50 EFAA CCN1CCC[C@@]2(CCCN(C(=O)c3c(C)[nH]c(C(=O)O)c3C)C2)C1 299762625 VMRACZHRKLMVNL-LJQANCHMSA-N 347.459 2.668 0 50 EFAA COc1ccc(NC(=O)N2CC[C@@](O)(c3ccccc3C)C2)cn1 299775333 BHTQQUQFRXADFW-SFHVURJKSA-N 327.384 2.524 0 50 EFAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1conc1-c1ccccc1 828207935 QVCJZYMVKODHNL-UHFFFAOYSA-N 348.322 2.899 0 50 EFAA CC[C@H](NC(=O)N1CCN(CCOC)CC1)c1ccc(C)cc1C 584885267 HNAOPJYFTXYHSF-SFHVURJKSA-N 333.476 2.728 0 50 EFAA CON(C)C(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1 1292822118 FNHYTGNAFOHUEC-UHFFFAOYSA-N 340.339 2.555 0 50 EFAA CC1(C)CC[C@@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)Cc2ccccc21 1875301370 GYLCPZIAIILOGP-GOEBONIOSA-N 347.480 2.734 0 50 EFAA Cc1c([C@@H](C)NC(=O)C2(C(=O)O)CC=CC2)cnn1-c1ccccc1 1875267351 ZRHVCJVRSHGESP-CYBMUJFWSA-N 339.395 2.779 0 50 EFAA Cc1ccc(-n2cnnc2)c(C(=O)NCc2csc(C3CC3)n2)c1 1875264237 KVULGXONUQTVLK-UHFFFAOYSA-N 339.424 2.840 0 50 EFAA CC(C)(C)[C@H]1CC[C@H](CO)N(c2ncncc2Br)C1 1875294531 IFNARNSJAWZYJB-WDEREUQCSA-N 328.254 2.863 0 50 EFAA O=C(NCc1ccsc1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 1875253181 ORQMIWDDSVJRHO-UHFFFAOYSA-N 327.365 2.797 0 50 EFAA Cn1nc(C(F)(F)F)cc1CN1CCC(C(C)(C)C(=O)O)CC1 1875283168 IFPDUYFMRJBIIR-UHFFFAOYSA-N 333.354 2.762 0 50 EFAA CC(C)(O)Cn1nc(-c2ccc(Cl)cc2)nc1C1CCNCC1 952985940 UMQMEODLHCWYPF-UHFFFAOYSA-N 334.851 2.836 0 50 EFAA Cc1ncc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)s1 886563114 NBWWRYSRYLAXKY-LLVKDONJSA-N 330.331 2.934 0 50 EFAA O=C(c1cc2c(o1)CCCC2)N(C[C@@H]1CCCO1)c1ccnnc1 1775306304 HTXBLPJAVGSXIH-HNNXBMFYSA-N 327.384 2.774 0 50 EFAA CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1nc[nH]n1 1775998394 BIZICLQMRJROAY-ZFWWWQNUSA-N 347.488 2.559 0 50 EFAA CC(C)(Nc1ccccc1)C(=O)N1CCC[C@H](NC2CCOCC2)C1 899925760 HASZGCGNQCRWPB-SFHVURJKSA-N 345.487 2.637 0 50 EFAA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1nnc2ccccc2n1 1338649233 VTYARDCNNDOWBM-ZDUSSCGKSA-N 333.395 2.900 0 50 EFAA Cc1ccccc1[C@@H](C)NC(=O)Cn1nc(C)c2ccccc2c1=O 170094803 CACHOPGETNFDFN-CQSZACIVSA-N 335.407 2.891 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C(=O)O)c2ccccc2F)c1C 170066752 RTANLUDHPYZBNI-HNNXBMFYSA-N 332.331 2.529 0 50 EFAA O=C1[C@@H](Sc2nc3ncncc3[nH]2)CCN1c1c(F)cccc1F 186801115 DGASXQSEAGRILC-NSHDSACASA-N 347.350 2.529 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc3nncn3c2)sc1Cl 170608312 YZIUGINFFXQYTK-UHFFFAOYSA-N 328.806 2.553 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)c2ccccc21 281395043 VQLLLCXUQAHBNU-CQSZACIVSA-N 339.347 2.677 0 50 EFAA CC(C)n1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1N(C)C 187982660 FOYKUBBXEHVLHG-CQSZACIVSA-N 345.472 2.971 0 50 EFAA CC(C)Oc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 188801543 QUFVHFPGRODRPS-QGZVFWFLSA-N 339.439 2.806 0 50 EFAA COc1ccnc(CN2CCO[C@@](C)(c3ccccc3)C2)c1OC 190698247 BVDIIEGFRHIALF-LJQANCHMSA-N 328.412 2.846 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 225361624 QCYMWRPFTMNYGI-OIPACUDHSA-N 332.444 2.806 0 50 EFAA C[C@@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CO1 225485160 WLEAYANUPHQIOY-ZYHUDNBSSA-N 330.409 2.878 0 50 EFAA C[C@@H](C(=O)Nc1ccc(NC[C@H]2CCC=CO2)cc1)n1cncn1 194130936 DCZQDAGZVBKPTA-XJKSGUPXSA-N 327.388 2.582 0 50 EFAA CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2cnco2)c1 194758066 PAMJOFSJOYYVAU-UHFFFAOYSA-N 342.376 2.997 0 50 EFAA CS(=O)(=O)Cc1cccc(CNC(=O)c2cc3ccccc3o2)c1 194716992 UTORVXQREYBDNC-UHFFFAOYSA-N 343.404 2.907 0 50 EFAA Cn1cncc1CN1CCCN(C(=O)CCCc2cccs2)CC1 1198053168 GHHMOQXOGLGZEI-UHFFFAOYSA-N 346.500 2.539 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCc2ccccc2CN2CCCC2=O)n1 1506397283 RKSVAXAKFDIAJW-INIZCTEOSA-N 340.471 2.801 0 50 EFAA NCCc1ccc(CN2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)cc1 216984764 ACMZTMNKRMECBO-MOPGFXCFSA-N 342.414 2.627 0 50 EFAA Cc1ccc(CCC(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1 1704311910 WPAUYPUWYCVMGS-UHFFFAOYSA-N 328.460 2.550 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)cc2[nH]1 1775982286 NRYJRLVUUUCYRH-IBGZPJMESA-N 335.411 2.715 0 50 EFAA Cn1cc(CCC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cn1 11753440 FSOJOHKZSIKGCU-GOSISDBHSA-N 332.492 2.514 0 50 EFAA CCCc1c(C(=O)Nc2nccs2)nnn1-c1ccc(OC)cc1 12274675 PQYXMNDIKIUJTG-UHFFFAOYSA-N 343.412 2.937 0 50 EFAA COc1cccc(CN2CCC[C@@]3(CCN(CC4CC4)C3)C2=O)c1 12373116 KQHPSNWLLDSTTF-FQEVSTJZSA-N 328.456 2.920 0 50 EFAA O=C(COc1ccccc1Cl)NCc1cccnc1-n1ccnc1 12447024 CQUUTUCKKREMBZ-UHFFFAOYSA-N 342.786 2.616 0 50 EFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@@H](OC)C3)no2)c1 12751937 QJHJIQAFDKYNDD-OAHLLOKOSA-N 346.383 2.513 0 50 EFAA C[C@@H](N(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817136 QNBLJKNFFUJJLE-IBGZPJMESA-N 331.535 2.646 0 50 EFAA Cc1nc(C=Cc2cccc(OC3CC3)c2F)nc(O)c1CC(=O)O 1857532303 ZGAQASJOPPZXNZ-UHFFFAOYSA-N 344.342 2.968 0 50 EFAA O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668837 MGIIPPKZWZJNFZ-ZUZCIYMTSA-N 344.194 2.557 0 50 EFAA Cc1nnc(N2CCc3c(-c4ccccc4)nn(C)c3CC2)s1 1857675796 JLTQJYNWEFNDTF-UHFFFAOYSA-N 325.441 2.852 0 50 EFAA CO[C@H]1CCC[C@H](CC(=O)N2CCC(N3CCCCC3=O)CC2)C1 328588293 AYYWMJARMKRWTF-RDJZCZTQSA-N 336.476 2.585 0 50 EFAA CC[C@H](C)S(=O)(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1875246620 DAUZJGJBKOCDBL-AWEZNQCLSA-N 347.484 2.616 0 50 EFAA COc1cccc(CNC2CCN(Cc3ccccc3F)CC2)n1 225636085 OAYYGSLJMHZESA-UHFFFAOYSA-N 329.419 2.984 0 50 EFAA COc1nc(C)ccc1C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 332300654 KPSMEMNNIGNYIW-AWEZNQCLSA-N 343.431 2.591 0 50 EFAA C[S@](=O)C1(CNc2nc(C(F)(F)F)ccc2C(=O)O)CCC1 393766099 TZCKNKOEUYSMGP-QFIPXVFZSA-N 336.335 2.512 0 50 EFAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCC[C@@H](n2cncn2)C1 931992198 QAYWEMPLYUSJMS-QGZVFWFLSA-N 335.411 2.674 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)CSc3nccn3C)cc2)c1C 2325737231 NDFFWLWVDYZTDT-UHFFFAOYSA-N 341.440 2.953 0 50 EFAA O=C(CNC(=O)c1ccc(C2CC2)s1)Nc1ccc2c[nH]nc2c1 2325739500 ZWXURUQDYPXEII-UHFFFAOYSA-N 340.408 2.870 0 50 EFAA Cc1ccc(-c2nn(C)cc2CNC[C@H]2NCCc3ccccc32)o1 843126812 WVNFKRMKBIBESW-GOSISDBHSA-N 336.439 2.965 0 50 EFAA CC(C)CCN(C)c1ncnc2c1ncn2Cc1cccc(CO)c1 2325815220 TZKOVHAHKJLSKQ-UHFFFAOYSA-N 339.443 2.849 0 50 EFAA CCOc1cc(CN2CCC[C@@H](C(=O)N(CC)CC)C2)ccc1O 241763 GZXYHQSQVWGXEB-MRXNPFEDSA-N 334.460 2.871 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccc(F)cc2)c1 318694 KWRZBMUBRCKHSD-UHFFFAOYSA-N 345.326 2.580 0 50 EFAA C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCSC(=O)c1ccccc1 478621 WBDJVKOBQMEZTP-GXTWGEPZSA-N 335.425 2.804 0 50 EFAA O=C(N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F 1217313 JDYXCAJLOYPBIP-SNVBAGLBSA-N 339.722 2.546 0 50 EFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccncc1 2850318 WKMJFDOMIIUGJC-LLVKDONJSA-N 335.201 2.928 0 50 EFAA Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCN(C)CC1 20118109 XSOLNEHBGCXCAJ-UHFFFAOYSA-N 334.504 2.935 0 50 EFAA C[C@H](Cc1cccs1)NC(=O)CCNC(=O)c1ccc(F)cc1 55325967 BVCNGDFFRFOBKC-GFCCVEGCSA-N 334.416 2.755 0 50 EFAA COc1ccc(O)c(C(=O)N(CCN(C)C)Cc2sccc2C)c1 55308213 JKQDDNZVOCATEP-UHFFFAOYSA-N 348.468 2.975 0 50 EFAA CCCCc1nc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c(Cl)[nH]1 55245369 DBWRHOQEOLVWBQ-UHFFFAOYSA-N 342.794 2.925 0 50 EFAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cccnc1 64137282 MPNDDHZPQQLHKO-HOCLYGCPSA-N 343.814 2.733 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 136139121 UQMOHXMVRODKDK-SNVBAGLBSA-N 334.372 2.886 0 50 EFAA COc1ccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)cc1 22608818 LGYVELPLMFRMFP-UHFFFAOYSA-N 336.395 2.780 0 50 EFAA COc1ccc([C@H](NC(=O)COc2coc(C)cc2=O)C(C)C)cc1 409413294 HCZNIQUWYNRPPD-LJQANCHMSA-N 345.395 2.849 0 50 EFAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 119531424 VCPUAYYOKFHAGQ-HIFRSBDPSA-N 344.386 2.628 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)n1 229515897 OGRYZQYMWZGDOF-VQTJNVASSA-N 343.471 2.542 0 50 EFAA Cn1ncc2c(O)nc(Nc3cccc(OC4CCCC4)c3)nc21 356503598 JFDOMYJCCRXXJK-UHFFFAOYSA-N 325.372 3.134 0 50 EFAA Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H]1CCc2nccn2C1 360449158 RNFANEFPWQVUFB-SECBINFHSA-N 344.362 2.659 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCc3nccnc32)c1 72432017 JKCLIMSCAJFWEU-QGZVFWFLSA-N 339.439 2.988 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@](C)(O)c1ccccc1 328655236 YFAXXPBTXRYKHR-JBACZVJFSA-N 339.483 2.914 0 50 EFAA Cc1cccc([C@@H](O)CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 153281103 RLEOWRQOVRCUBV-UXHICEINSA-N 338.451 2.809 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc3c2OCC3(C)C)C1 366139830 URFGPHMFSARQQW-CYBMUJFWSA-N 325.412 2.720 0 50 EFAA COc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)nn1 155478736 BCVIPYBFVLDNEG-UHFFFAOYSA-N 325.290 2.776 0 50 EFAA Cc1nc(C)c(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)nc1C 364065836 XEZWHWVPWGGYCZ-INIZCTEOSA-N 335.411 2.839 0 50 EFAA O=C(c1cccc(CO)c1)N1CCN[C@H](c2cccc(Cl)c2)C1 366182859 GQDAWONXCKOSNM-KRWDZBQOSA-N 330.815 2.619 0 50 EFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@@H](CCc2ccccc2F)C1 71736161 QVUVURNHIHKYRC-ZDUSSCGKSA-N 344.386 2.705 0 50 EFAA CSCc1cc(C(=O)NCc2nnc3n2CCCCC3)ccc1F 174040535 SGXZFJBGXZMKJU-UHFFFAOYSA-N 348.447 2.937 0 50 EFAA CCC1(O)CCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 332610529 UGPSVWUZCJNBDU-UHFFFAOYSA-N 337.370 2.888 0 50 EFAA Cc1cccnc1[C@@H](C)Nc1nc(CC2CC2)nc2c1CCNCC2 72408057 UZCCAXFGYHCJNR-CQSZACIVSA-N 337.471 2.994 0 50 EFAA CCC[C@H](NC(=O)c1cc[nH]c1C)C(=O)N1CCc2sccc2C1 176106934 YNTHWXKTIGPXHS-HNNXBMFYSA-N 345.468 2.868 0 50 EFAA Cc1c(C(=O)N(C)[C@H](C)c2cccnc2)nnn1Cc1ccccc1 71776464 LAOBHFKQNOVSCD-CQSZACIVSA-N 335.411 2.863 0 50 EFAA Cc1ccccc1SC1CCN(C(=O)CCN2CCOCC2)CC1 77536926 AUEGXSBGNUFMNW-UHFFFAOYSA-N 348.512 2.800 0 50 EFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(-c3ccco3)cc1)C2 72135268 CSENOFZJZAZIEZ-QUCCMNQESA-N 340.423 2.975 0 50 EFAA Oc1nc(N2C[C@H](O)C[C@H]2c2cccc(F)c2)nc2ccccc12 343229273 YGBKTAYTHVFSOP-CJNGLKHVSA-N 325.343 2.787 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCC[C@@]3(CCCCO3)C2)cc1F 373111376 LALJRJNIEOPDSB-KRWDZBQOSA-N 341.448 2.999 0 50 EFAA CC(C)Oc1ccc(NCc2cnc(N3CCOCC3)nc2)c(F)c1 129024000 XCVKNJIBZRLPQY-UHFFFAOYSA-N 346.406 2.852 0 50 EFAA Cn1ncc2c(N3C[C@H]4CC=CC[C@H]4C3)nc(-c3ccncc3)nc21 72150976 XZZGCWDFYGEJLI-GASCZTMLSA-N 332.411 2.828 0 50 EFAA Cc1c(C(=O)NCC[C@@H]2CCNC2)cnn1-c1cccc(Cl)c1 262586228 ORUJHPNMILTESE-ZDUSSCGKSA-N 332.835 2.564 0 50 EFAA COc1cc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)ccc1C 286886816 OSQNQUQTRVJGDU-RCCFBDPRSA-N 347.455 2.589 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3COCC3(C)C)cc2)n1 456538807 KWLPKGRGRSOZSI-KRWDZBQOSA-N 327.428 2.703 0 50 EFAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)NCC1CCOCC1 222299586 WRYLYRHLABIDOI-HNNXBMFYSA-N 331.334 2.849 0 50 EFAA COc1ccccc1OC1CN(C(=O)[C@H](O)c2cccc(Cl)c2)C1 222769524 WXUZCTJWNVLAAQ-QGZVFWFLSA-N 347.798 2.672 0 50 EFAA O=C(NCCn1ccc2ccccc21)N1CCC(c2cc[nH]n2)CC1 426361219 IPSULSNBHBTEBA-UHFFFAOYSA-N 337.427 2.954 0 50 EFAA COc1ccc([C@H](NC(=O)CCc2ccsc2)[C@H]2C[C@H](O)C2)cn1 223541321 BOYBINHNLTYFFI-DAYGRLMNSA-N 346.452 2.713 0 50 EFAA COc1ccc(Cl)cc1NC(=O)C1(n2cnnn2)CCCCC1 334160852 NPWCYEUQWNUTMQ-UHFFFAOYSA-N 335.795 2.633 0 50 EFAA CC(C)N1CCO[C@H](CC(=O)NC2(c3cccc(Cl)c3)CC2)C1 97594919 ZTWCGCWRAPXHJM-MRXNPFEDSA-N 336.863 2.945 0 50 EFAA COCC[C@@]1(CO)CCCN(CCOc2ccc(Cl)cc2)C1 91382124 DXTUNVUBBJTGJS-KRWDZBQOSA-N 327.852 2.830 0 50 EFAA O=C(NCC[C@H]1CCCCO1)c1cccc(Oc2cnccn2)c1 181637374 KFFYNGBRNLKJFG-OAHLLOKOSA-N 327.384 2.958 0 50 EFAA CC(C)C(=O)Nc1cc(NC(=O)NCC2CCNCC2)ccc1F 426624730 FXXDQKPLVCQTCM-UHFFFAOYSA-N 336.411 2.541 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCC([C@H](O)c2cccs2)CC1 97681882 BKOJZLYHGWIKOF-KRWDZBQOSA-N 333.457 2.766 0 50 EFAA C/C=C/CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92061668 ARBWFGBALGXCJX-NSCUHMNNSA-N 341.455 2.779 0 50 EFAA CC(C)c1nc(CN2CCCC[C@@H]2CCN2CCN(C)CC2)co1 97468613 YXZFMLBOFKGSCI-GOSISDBHSA-N 334.508 2.790 0 50 EFAA CC(=O)c1cc(C(=O)N2CCC(N3CCSCC3)CC2)cs1 96166403 LJIPTCUYXDFFFB-UHFFFAOYSA-N 338.498 2.604 0 50 EFAA COCCN1CCC(CN(C)C[C@@H]2CCOc3ccccc3C2)CC1 95526870 JPOADCUGMNVMTR-LJQANCHMSA-N 346.515 2.918 0 50 EFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1coc2ccccc12 244852749 UXXNYKPAOTWMOZ-JOQOYGCGSA-N 336.391 2.940 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CCCCC3 247812840 BMOYBFFPXBWSOG-ZCLUNYJNSA-N 347.418 2.973 0 50 EFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCO2 244887893 YQEAJPBLDMHKNX-GUDVDZBRSA-N 337.419 2.734 0 50 EFAA COc1ccc(CN(CCn2ccc(C)n2)C[C@H]2CCCO2)cc1 244873477 WRCFUOFBFQZWFD-LJQANCHMSA-N 329.444 2.881 0 50 EFAA Cc1cc([C@H]2CCCN2CCC(=O)Nc2nnc(C3CC3)s2)on1 244828523 TXTDOUOJHUWJRV-GFCCVEGCSA-N 347.444 2.878 0 50 EFAA O=C(O)CCN1CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CC1 252488451 IRZOESZVDCCKGN-LJQANCHMSA-N 344.455 2.579 0 50 EFAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H](O)c1ccccc1 299746469 XPMLZLSTOGPLIX-SZMVWBNQSA-N 329.371 2.753 0 50 EFAA COc1cccc(-n2c(CN)nnc2SC2CCSCC2)c1 534667901 PLKKXCDWEWHJMU-UHFFFAOYSA-N 336.486 2.722 0 50 EFAA Cc1cc2cc(NC(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)ccc2o1 299766281 MVOIULDGHRMHGR-DOMZBBRYSA-N 327.384 2.826 0 50 EFAA CCCOc1cccc(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 269296690 HUBKLOQNMMEDOT-AZUAARDMSA-N 325.408 2.792 0 50 EFAA CC[C@H](O)Cn1nc(COC)nc1Cc1c(F)cccc1Cl 670460988 BZTAXTGRDKRZFI-JTQLQIEISA-N 327.787 2.579 0 50 EFAA O=C(NC1([C@@H]2CCCN2C(=O)[C@@H]2CC23CC3)CC1)c1sccc1F 1875406554 HJCPYFXFDCIFJA-AAEUAGOBSA-N 348.443 2.941 0 50 EFAA CCC[C@@H](C)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 952994069 UOBSLTWLAPNZKI-MCIONIFRSA-N 348.509 2.788 0 50 EFAA CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)Nc3conc3C)cc21 1875280993 KLNQJXHFQMQLOG-SNVBAGLBSA-N 349.412 2.644 0 50 EFAA Cc1cc2cc(NC(=O)[C@H](c3cscn3)N(C)C)ccc2[nH]c1=O 1875350185 DTHUXAQZCJELEC-HNNXBMFYSA-N 342.424 2.534 0 50 EFAA Cc1ccnc(N2CCC[C@H](CCNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)n1 1875345619 DHDYFZMPZFYOPY-TVFCKZIOSA-N 342.487 2.944 0 50 EFAA CC(C)c1nccc(N2CCN(c3cccc4nc(O)[nH]c34)CC2)n1 895915023 SJTSCEXRXKNNON-UHFFFAOYSA-N 338.415 2.509 0 50 EFAA CN(C)c1cc(Nc2ncnc3c2nnn3C)cc(C(F)(F)F)c1 896712907 SLXIFLIFGBILLG-UHFFFAOYSA-N 337.309 2.587 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)C2CC2)C1 1776002704 SHMJOADGAQNITJ-UKRRQHHQSA-N 336.819 2.950 0 50 EFAA COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(F)c(O)c1F)C2 1776006298 QYXAAUGEMFURJA-GFCCVEGCSA-N 333.334 2.966 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3cccc(O)c3)CC2)n1 680371054 SFHWTXWGVAUHPK-UHFFFAOYSA-N 338.333 2.836 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Nc2ccncc2)C1 190508816 BEHQQQHFJSJLKW-CQSZACIVSA-N 345.472 2.832 0 50 EFAA Cc1csc2nc(-c3cnc(OCC(F)(F)F)cn3)[nH]c(=O)c12 195579369 DJAKNDYACOKFQU-UHFFFAOYSA-N 342.302 2.691 0 50 EFAA Cc1noc(CN2CCN(CC[C@@H](C)c3ccc(C)o3)CCC2=O)n1 1506401497 SFCNFGNXODAJHV-CYBMUJFWSA-N 346.431 2.508 0 50 EFAA CCc1nn(C)c(NC(=O)[C@H](c2ccccc2F)N(C)C)c1CC 1529167418 IWYGFVRMOFQVRM-INIZCTEOSA-N 332.423 2.925 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)CCOc2ccc(C(C)C)cc2)CC[C@@H]1O 1704328631 MNHCMTYZFSAEDB-NZSAHSFTSA-N 349.471 2.823 0 50 EFAA COCCN1CCC(CN(C)c2ccc(-c3ccccc3)nn2)CC1 1704306656 XOBDYVVMGSBGOI-UHFFFAOYSA-N 340.471 2.938 0 50 EFAA CCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 16159716 YOAJDJLFFZNDGD-UHFFFAOYSA-N 332.141 2.766 0 50 EFAA in-vitro COc1cccc2c(C)cc(N3CCOC4(CCN(C)CC4)C3)nc12 1772806400 DXYUJRPJNIKGLX-UHFFFAOYSA-N 341.455 2.853 0 50 EFAA Cc1ccccc1NC(=O)c1cn(CCNC[C@@H]2CC=CCC2)nn1 11996250 POFWYKRARHEKCV-MRXNPFEDSA-N 339.443 2.785 0 50 EFAA CN(C[C@H]1CCCN1C)C(=O)c1coc(COc2ccc(F)cc2)n1 12571573 SXEZPMMBSHGQFH-CQSZACIVSA-N 347.390 2.559 0 50 EFAA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccco2)CC1 16603314 ABMFSHLRRBGZPB-INIZCTEOSA-N 328.412 2.700 0 50 EFAA COC(=O)[C@]12CCCC[C@@H]1CN(C(=O)N[C@@H](C)c1nccs1)C2 1857531979 KKVKTYRNDXNBMU-OZVIIMIRSA-N 337.445 2.579 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4c(F)cccc4F)[C@@H]2CC(=O)N13 1857730563 WLUJTZQIBXZVMT-JZXOWHBKSA-N 336.382 2.523 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4cc(F)cc(F)c4)[C@@H]2CC(=O)N13 1857734211 NYBAYTXFBFXVPU-JZXOWHBKSA-N 336.382 2.523 0 50 EFAA CSC[C@H](C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 847216410 PKXYSLWYVPFSHK-IUCAKERBSA-N 344.399 2.557 0 50 EFAA Cn1nc2ccc(NC(=O)CCCN3Cc4ccccc4C3)cc2n1 1875248118 ZNTRXHYKBVFWIS-UHFFFAOYSA-N 335.411 2.703 0 50 EFAA C[C@H]1CCCN(C(=O)CCc2ccncc2)[C@@H]1C(=O)OC(C)(C)C 425049318 XLECXCPMXYDQDX-YOEHRIQHSA-N 332.444 2.983 0 50 EFAA C[C@@H]1CCCC[C@@H]1N(C)C(=O)CS(=O)(=O)c1ccc(F)cc1 131686454 JPMVGSMOMKFQNB-DOMZBBRYSA-N 327.421 2.637 0 50 EFAA Cn1cc(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)nn1 342169126 GWCBBMOWWOHVML-UHFFFAOYSA-N 336.798 2.849 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348262687 JRHDLSFLPALEFD-CJNGLKHVSA-N 325.343 2.650 0 50 EFAA Cc1cc(CNC(=O)[C@H]2CCCc3c(O)cccc32)oc1C(=O)O 910303822 UWKSKMNWXCVONE-AWEZNQCLSA-N 329.352 2.728 0 50 EFAA O=C(NCC[C@@H]1CCOC1)c1cc(Br)cnc1C1CC1 935359613 SAAGYMDJEATYJV-SNVBAGLBSA-N 339.233 2.878 0 50 EFAA Cc1cc(-c2noc(CC[C@@H]3CCCNC3)n2)ccc1-n1cncn1 857254348 ANOITUWUMKECLP-AWEZNQCLSA-N 338.415 2.558 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 269297235 WKSXJGFSRSXQKK-DGCLKSJQSA-N 325.250 2.577 0 50 EFAA CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1O 44941177 HTDXSIZCZUGTAG-MOPGFXCFSA-N 330.472 2.661 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2ccc(Br)cn2)CC1 299745603 RILAVZOHJOIBIQ-JTQLQIEISA-N 341.205 2.561 0 50 EFAA NCCc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 2325769144 MAYSFPCBQCVBSA-UHFFFAOYSA-N 336.395 2.764 0 50 EFAA CCc1ccc(C(=O)OC)cc1NC(=O)[C@H](N)CCC(F)(F)F 2325775012 RLSYKGRVYGBICW-LLVKDONJSA-N 332.322 2.644 0 50 EFAA CCOc1ccc([C@H](NC(=O)c2sccc2COC)C(=O)O)cc1 2325775303 UMNGRTIYXBHCSL-AWEZNQCLSA-N 349.408 2.849 0 50 EFAA COC[C@H](C)Oc1ccc(CNCC23CC(CN2C2CC2)C3)cc1 2325775496 ZBIXIDXXGWOVHR-FVWXCPNNSA-N 330.472 2.817 0 50 EFAA Cc1nc2c(cc1C(=O)Nc1ccc3c(c1)CN(C)CC3)c(C)nn2C 2325782302 LUUJJIYAGZRRCB-UHFFFAOYSA-N 349.438 2.825 0 50 EFAA CN1CCC([C@](C)(O)CNCc2c(F)cccc2N2CCCC2)CC1 2325789845 RQCYDAMTBRUEBC-HXUWFJFHSA-N 349.494 2.608 0 50 EFAA O=C([C@@H]1CCCc2cncn21)N1CC[C@@H](COCc2ccccc2)C1 2325798579 CERLJJNKQCHWBY-MJGOQNOKSA-N 339.439 2.826 0 50 EFAA CC(C)CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1 2325842738 GXYSMAWRRVGVIU-CQSZACIVSA-N 346.475 2.690 0 50 EFAA Cc1ccc(N2CCN(c3ccc(C)cc3)[C@@H](CC(=O)O)C2=O)cc1 192983 AAUIVFOUVNJWNN-SFHVURJKSA-N 338.407 3.000 0 50 EFAA aggregator COC(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1C 609608 FYHRWJXFRHVCMU-INIZCTEOSA-N 327.336 2.560 0 50 EFAA O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 614258 YLXUFOGWDFHLET-UHFFFAOYSA-N 347.330 2.723 0 50 EFAA O=C1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)[C@@H](c2ccccc2)O1 617683 ZLKSYHINXQLYIC-GOEBONIOSA-N 325.320 2.628 0 50 EFAA Cn1nc(-c2cccnc2)cc1NC(=O)c1cnc2ccccc2n1 2356167835 FFUSMWVAAWIEBF-UHFFFAOYSA-N 330.351 2.678 0 50 EFAA COCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccco1 4385064 QEVTUBXWBFNXJI-UHFFFAOYSA-N 326.356 2.745 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)ccc2OC)C1 4685699 MXBRIHIXJIKSHK-OAHLLOKOSA-N 348.443 2.607 0 50 EFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 6742719 UUOBNUUEGWOCDR-UHFFFAOYSA-N 344.864 2.649 0 50 EFAA CC(=O)Nc1ccc(NC(=O)CSc2nccc(C)n2)cc1C 10230949 UIQZGUWXOBUBQN-UHFFFAOYSA-N 330.413 2.783 0 50 EFAA CCn1ncc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc21 247078556 UCOINPQNDLZRKE-NUEKZKHPSA-N 328.416 2.991 0 50 EFAA O=C(O)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 9421829 GPGGYNNSOQAQIX-UHFFFAOYSA-N 334.378 2.795 0 50 EFAA CCc1n[nH]c(SCC(=O)N2CCc3[nH]c4ccccc4c3C2)n1 28656706 QKXSZQYHXNVETN-UHFFFAOYSA-N 341.440 2.525 0 50 EFAA Cc1oc(C(=O)OCCN2CCOCC2)cc1COc1ccccc1 22130736 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Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCc1ccco1 357883243 QRHYZFRKXOQXRK-GJZGRUSLSA-N 349.406 2.546 0 50 EFAA COC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1 252490833 LCLXGGCDKMHMMS-NSHDSACASA-N 349.431 2.532 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC([C@H](O)c3cccs3)CC2)n1 1506396210 QKLICWFOTPCUEM-AWEZNQCLSA-N 339.848 2.721 0 50 EFAA Cc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 65364867 NRONKDQTBHDIMU-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCSCc1cc(C(=O)N2CC[C@@H](C3CCN(C)CC3)C2)no1 328588363 CTOLBCVQGAFOMU-CQSZACIVSA-N 337.489 2.732 0 50 EFAA Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ncc(C(F)(F)F)s2)cn1 328589026 XYFVGLXZUVUUHF-QWRGUYRKSA-N 346.378 2.988 0 50 EFAA Cc1noc([C@H](NC(=O)c2ccc(Cl)o2)C2CCOCC2)n1 328611422 LLWVCARWIJWKCA-GFCCVEGCSA-N 325.752 2.522 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2c2ncc(Cl)cn2)n1C 328628132 NIYQIVZFBAFACY-CYBMUJFWSA-N 333.823 2.560 0 50 EFAA Cc1ccccc1CC(=O)N1CCC[C@H](Nc2ccc(N)nc2)CC1 328628285 HDFSYSSRCVZUKC-KRWDZBQOSA-N 338.455 3.008 0 50 EFAA CC(C)=CCN1CCN(Cc2c(C)nn(C(C)C)c2C)C[C@H]1CCO 39371367 IBJBGELAYPTWEZ-LJQANCHMSA-N 348.535 2.916 0 50 EFAA CN1CCC(=O)Nc2cc(C(=O)NCc3cc(F)ccc3F)ccc21 172779999 SWPSRUDYDCUVCJ-UHFFFAOYSA-N 345.349 2.673 0 50 EFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@H]2CCCC[C@@H]21 123490214 VIWLMBIQDSOBCZ-KBPBESRZSA-N 345.424 2.809 0 50 EFAA O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N1CCCCC1 814956 WQHNMIGDMAOPHQ-CQSZACIVSA-N 337.217 2.955 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)cc1 2792895 SPXGHCJIRZLVAK-UHFFFAOYSA-N 338.820 2.517 0 50 EFAA Cc1cc(OCc2nc3c4cnn(C)c4ncn3n2)cc(C)c1Cl 2800723 AFTWWSFEIZBOOT-UHFFFAOYSA-N 342.790 2.860 0 50 EFAA COc1cc(C)c(CN2CCC[C@@H]2CN(C(C)=O)C2CC2)cc1OC 434641073 QPUQGIMYTLAQKZ-GOSISDBHSA-N 346.471 2.988 0 50 EFAA C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 329763370 UKMXPYGJWGHDLI-HBNTYKKESA-N 347.337 2.653 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)[C@H]3CC=CCC3)CC2)cn1 72420952 AVCLEHIODRQYHY-HNNXBMFYSA-N 344.411 2.571 0 50 EFAA C[C@H](C(=O)Nc1ccc(OCC(=O)O)c2ccccc12)n1cccn1 362701089 XRVOEBOOIZHZNZ-GFCCVEGCSA-N 339.351 2.699 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 156415760 PHZXTEODNULDCH-NWDGAFQWSA-N 330.350 2.670 0 50 EFAA Cc1cccc(=O)n1CCCNC(=O)Cc1c(F)cccc1Cl 216022159 YBMLUWDUXKSBAO-UHFFFAOYSA-N 336.794 2.698 0 50 EFAA O=C([C@H](O)c1ccccc1)N1CCC(c2ccccc2CO)CC1 372615711 AIKKBFPMPYROOV-LJQANCHMSA-N 325.408 2.619 0 50 EFAA C[C@@H](CS(=O)(=O)NC(=O)CCc1ccsc1)c1ccccc1 129987121 LXPQZGBIOQRXMY-ZDUSSCGKSA-N 337.466 2.930 0 50 EFAA COCC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)O 262326072 TXJIXNFZLHTCGR-GFCCVEGCSA-N 334.199 2.532 0 50 EFAA Cc1cc(CNC(=O)NCCCOc2cccc(C)c2C)n(C)n1 341488876 VJBDNKHNAKVNIS-UHFFFAOYSA-N 330.432 2.614 0 50 EFAA CCc1ccc([C@H](O)CNC2CCN(C(=O)c3ccoc3)CC2)cc1 285406882 CWPNBTBXVLGKKG-LJQANCHMSA-N 342.439 2.770 0 50 EFAA C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)O)CC1)c1cccs1 263058973 BCCDXWODALIOSE-ZLDLUXBVSA-N 337.441 2.580 0 50 EFAA Cc1noc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 241644460 PQYCZBFLYUKHGU-OCCSQVGLSA-N 328.199 2.775 0 50 EFAA Cc1nc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)oc1C 241720864 QSWQXRJXHITRML-CXAGYDPISA-N 342.443 2.611 0 50 EFAA COCc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1 242047797 VQFBCFALIXEFRQ-UHFFFAOYSA-N 328.368 2.698 0 50 EFAA Cc1cc(C)cc(CN2CCN(C(=O)CSCC3CC3)CC2=O)c1 77298519 AIVMLOQFXFQGEF-UHFFFAOYSA-N 346.496 2.617 0 50 EFAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccnc(-c3ccccc3)n2)C1 286372490 LYKZBCDPAOGLCK-ROUUACIJSA-N 338.455 2.833 0 50 EFAA CCc1nc(C2(NC(=O)[C@H](OC)c3ccccc3)CCCC2)no1 177071977 MLUAADADPGJFDI-OAHLLOKOSA-N 329.400 2.905 0 50 EFAA CCN1C(=O)[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C1=O 229968264 CWROMPSYTREGNL-RRFJBIMHSA-N 328.393 2.615 0 50 EFAA O=C1CCC[C@H](CC(=O)N(CC(F)F)c2cccc(Cl)c2)N1 289609717 AXWDBUAWRRHEGX-LLVKDONJSA-N 330.762 2.997 0 50 EFAA Cc1nc2nc(-c3ccncc3)nn2cc1C(=O)Nc1ccc(F)cc1 220134299 ZDFLVQLEMTVHOX-UHFFFAOYSA-N 348.341 2.886 0 50 EFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1NCC(F)F 497316558 UEXXNLKQIOFQJW-RWMBFGLXSA-N 334.407 2.646 0 50 EFAA COC(=O)c1cc(C)sc1NC(=S)N1C[C@H](C)O[C@H](C)C1 18101438 ZAUMVTSXLQZEDZ-DTORHVGOSA-N 328.459 2.649 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1 426730483 ULNUMVFIAZBNBR-LJQANCHMSA-N 345.443 2.738 0 50 EFAA Cc1cnn(Cc2cc(C(=O)N3CCc4ccccc4[C@@H]3C)no2)c1 178889835 BXGSSCZEGFBVIU-AWEZNQCLSA-N 336.395 2.987 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)n1 82092429 IGPCIPJXPXZYDV-LBPRGKRZSA-N 345.428 2.808 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCc1nc(-c2ccccc2F)no1 95364356 MABNGYOZZMNBGX-CYBMUJFWSA-N 346.406 2.756 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)NCCc2c[nH]cn2)cc1Cl 96133730 BOHIQRXZRCWLKW-UHFFFAOYSA-N 349.822 2.567 0 50 EFAA Cc1cc(Cl)ccc1-c1cccc(C(=O)N(C)C[C@H](O)CO)c1 426477991 JTGIFRBZFJTEFZ-INIZCTEOSA-N 333.815 2.741 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(Cc2ccno2)C1 91706664 MARBZUXFXISJSW-GOSISDBHSA-N 328.368 2.775 0 50 EFAA Cc1ccccc1CN(CC(C)C)C(=O)CN1C(=O)OC(C)(C)C1=O 95505352 OMSXMWUXROMOJW-UHFFFAOYSA-N 346.427 2.737 0 50 EFAA CN(Cc1ccsc1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95519435 WXTAEMUGLZXBKU-KRWDZBQOSA-N 342.464 2.798 0 50 EFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)C2)c1 237368844 XEZYHHDKHZCATJ-SQWLQELKSA-N 332.444 2.537 0 50 EFAA CNC(=O)c1ccc(CNC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)o1 91819308 VQVFKZPLCKWZQE-IBGZPJMESA-N 344.386 2.762 0 50 EFAA Cc1cnccc1NCCNC(=O)[C@H]1CCOc2ccccc2C1 97655520 ZHHVUGKMOGWTJS-INIZCTEOSA-N 325.412 2.560 0 50 EFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]5[C@@H]6[C@H](CC[C@H]6[C@@]1(O)[C@]54C)[C@H]32 253595948 LHSMBRLTQUGMJF-VZRRAPBFSA-N 340.463 2.721 0 50 EFAA CCc1nnc(CN2CC[C@@H](n3c(C)nc4c3CCCC4)C2)s1 299740517 BHCATYQTDUAGMS-CYBMUJFWSA-N 331.489 2.931 0 50 EFAA CCn1nc(C)c(NC(=O)CN(C)C2Cc3ccccc3C2)c1C 252508706 XRFFNWDVLJNFGD-UHFFFAOYSA-N 326.444 2.558 0 50 EFAA Cc1cc(CNC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)on1 1292131511 XWEWYLSLQYLIFX-UHFFFAOYSA-N 339.351 2.598 0 50 EFAA O=C(Cc1c(F)cccc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 270862915 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CCn1c(CCNC(=O)N2CCO[C@](C)(CC)C2)nc2ccccc21 187929551 LJHSBVVDZPQTHV-LJQANCHMSA-N 344.459 2.809 0 50 EFAA C[C@H](CC(=O)Nc1cnn(Cc2ccccc2)c1)N1CCCCC1=O 189186818 NOADNVMDDQQXRM-OAHLLOKOSA-N 340.427 2.661 0 50 EFAA CCN(CC(=O)Nc1ccc(C)cc1)[C@H]1CCN(CC(F)(F)F)C1 639821604 VEJPHUGAZRKGKD-HNNXBMFYSA-N 343.393 2.892 0 50 EFAA CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(-c2ncco2)cc1F 411604500 GKCLDIWCTNEPPM-SFHVURJKSA-N 331.391 2.971 0 50 EFAA Cc1ocnc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 110914722 VQYCJSPJTDHVMQ-ZDUSSCGKSA-N 333.775 2.514 0 50 EFAA CCCCCC[C@@H]1CCC[C@@H]1NC[C@H](Cc1cnn(C)c1)C(N)=O 225352604 HXZYMRAYKSOJCO-SQNIBIBYSA-N 334.508 2.793 0 50 EFAA COc1ccc(C[C@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 658270921 XZKOBTPCEUBXMF-URLQWDBASA-N 344.459 2.512 0 50 EFAA Cc1csc(Nc2ccc(C(=O)N[C@H]3CCNC(=O)CC3)cc2)n1 665660371 RQYIXWSVUMXUEJ-CQSZACIVSA-N 344.440 2.594 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1 11690560 OGKVORVZQHMFQH-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA COC(=O)CCCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 12386638 IXLWNTWTWWZXGV-GOSISDBHSA-N 346.471 2.543 0 50 EFAA CN(C[C@@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2)n1 12595746 HWHNOUXNKOICIC-HNNXBMFYSA-N 343.427 2.810 0 50 EFAA COC(=O)CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 14956316 OCLINDAISMOURQ-OAHLLOKOSA-N 339.395 2.590 0 50 EFAA CN(Cc1ccc2nonc2c1)Cc1nc(-c2cccs2)no1 14964060 QMXOYRVVFVPTMM-UHFFFAOYSA-N 327.369 2.966 0 50 EFAA CC[C@@H](C)CC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 15000498 UPTUTZCZHRYNGE-CJNGLKHVSA-N 325.412 3.000 0 50 EFAA CC(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 19872413 KZCCLPUIWIEFAE-UHFFFAOYSA-N 332.469 2.790 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CO[C@@H]1c1cc(F)ccc1F 200534730 RYDSJJXCDQFTKF-DDTOSNHZSA-N 329.343 2.680 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2C[C@@H]2CC(=O)N(C)C2)c1 1857668109 QGXSYLCRTFFZGJ-MRXNPFEDSA-N 349.438 2.831 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CCCCC1)C2 1857719597 POVCIWRVGCRBMI-MJGOQNOKSA-N 342.483 2.678 0 50 EFAA O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857730076 XVVWHTMXDVANRA-GPQLQYNLSA-N 349.430 2.966 0 50 EFAA Cc1[nH]nc(O)c1CC(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875249909 JFFNDLVHXDETBT-SJORKVTESA-N 343.427 2.591 0 50 EFAA COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1OC 531228 MEWRLQUBVOVSGN-UHFFFAOYSA-N 339.380 2.932 0 50 EFAA in-vitro CC(C)n1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cn1 112284710 FIEXQFRCEHQEQR-CVEARBPZSA-N 332.448 2.831 0 50 EFAA CCc1cc(N2CC[C@H](Oc3ccc(Cl)cc3)C2)n2ncnc2n1 645058431 YKOZROHRIQTYPL-HNNXBMFYSA-N 343.818 2.998 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2C(=O)O)s1 386638646 WGFXLCLIKZCTGL-UHFFFAOYSA-N 325.411 2.888 0 50 EFAA Cc1c(N2C(=O)N[C@@H](C3CCOCC3)C2=O)cccc1C(F)(F)F 900199463 GFXLEPZRVZQRSR-ZDUSSCGKSA-N 342.317 2.865 0 50 EFAA Cc1cc(C(F)F)oc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C 905907495 JDVWXZIWJUCIED-LLVKDONJSA-N 349.399 2.811 0 50 EFAA C[C@@H]1[C@H](C(=O)Nc2ncccc2CO)CCCN1C(=O)OC(C)(C)C 827315871 QAFMFRDKXWQNCL-TZMCWYRMSA-N 349.431 2.548 0 50 EFAA CN(CC1CCN(Cc2ccccc2)CC1)c1cnc(C(=O)O)cn1 720068357 KXTLWBOQEQAVGO-UHFFFAOYSA-N 340.427 2.523 0 50 EFAA COc1cc(C(=O)NCCOc2ccccc2C)cc(OC)c1OC 4573103 SNQYYLLSIRZVDW-UHFFFAOYSA-N 345.395 2.830 0 50 EFAA biogenic,in-vitro O=C(C[C@@H]1NCc2ccccc21)NCc1cc(-c2ccccc2)n[nH]1 2325856224 GJSYYXVCGZUCHR-IBGZPJMESA-N 332.407 2.928 0 50 EFAA C[C@H]1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3)cc21 2325873106 ZKDFETAQXYHXGQ-LBPRGKRZSA-N 330.409 2.957 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1 193721 SWFIHWOMUGXTAJ-HNNXBMFYSA-N 330.409 2.900 0 50 EFAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCC(C)CC2)c1 264620 ZEOJJJNPNOZSRJ-UHFFFAOYSA-N 327.446 2.905 0 50 EFAA O=C(Nc1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 411560 VSKHMSIEFYJEJF-UHFFFAOYSA-N 344.172 2.677 0 50 EFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356148475 ZOBBWNOVCWRVLW-UWEBFBLFSA-N 329.375 2.591 0 50 EFAA CC(=O)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(C(=O)O)c1 3004659 FHPKEQPEPKCKTA-NSHDSACASA-N 343.335 2.716 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)COc2cccc(C)c2)C1=O 2356168132 QZXCRDPENLXDJV-FQEVSTJZSA-N 344.455 2.767 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCO1 343937954 UUOWJNLCPMNMML-IWCQGFGOSA-N 332.444 2.538 0 50 EFAA CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(F)c1 4944473 BKADNULBQQDPSY-NSHDSACASA-N 333.388 2.506 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCCc1ccc(O)cc1 55099671 QNZZUHQXQLJWMA-SFHVURJKSA-N 328.412 2.950 0 50 EFAA Cc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 8605559 VXAXBJXPMHXKKQ-UHFFFAOYSA-N 343.408 2.940 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCc2ncnn2C1 112744008 CBASMBYNYHDOCC-TZMCWYRMSA-N 343.431 2.507 0 50 EFAA O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426570 BCADEXWIPXOFID-CQSZACIVSA-N 344.361 2.995 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CC2(Cl)Cl)C1 247344244 NSDDWAIHNOPGEI-WDEREUQCSA-N 329.227 2.584 0 50 EFAA c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1 22201100 SQZJSXOPKTUEQV-UHFFFAOYSA-N 337.452 2.922 0 50 EFAA CSc1ccc(CN(C(=O)Cc2nnc(N)s2)C2CC2)cc1 65425031 BIAOMLDVMUSMIN-UHFFFAOYSA-N 334.470 2.576 0 50 EFAA CN1CCC[C@H]1CN1CCCN(c2nc3ccccc3s2)CC1 20539199 FOEQCUKFJBMISQ-HNNXBMFYSA-N 330.501 2.903 0 50 EFAA Cc1ccccc1CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 20418588 XXFMZEOXNZKROE-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA O=C(C[C@@H]1CCCO1)O[C@@H]1CCCC[C@H]1OC(=O)C[C@@H]1CCCO1 252482960 DRDOYQFHKHWSRK-CAOSSQGBSA-N 340.416 2.522 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 20737141 XTQLIKLVWAODPZ-CYBMUJFWSA-N 330.409 2.676 0 50 EFAA C[C@@H]1C[C@@H](N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C(=O)O1 229428289 YOJGCPQIIKNLDV-UXIGCNINSA-N 345.374 2.759 0 50 EFAA Cc1ccccc1CNC(=O)CN1CCC[C@@H]1c1nc(C(C)C)no1 77555467 NHPWFMCVFLIGLS-MRXNPFEDSA-N 342.443 2.955 0 50 EFAA COCc1nnc(N2CCN(Cc3ccccc3Cl)CC2)s1 360783788 VZONGRMZIBPCSF-UHFFFAOYSA-N 338.864 2.660 0 50 EFAA COC(=O)COc1ccc(NC(=O)N2CCCCO2)c2ccccc12 283279428 UCCBJRFAULMRFK-UHFFFAOYSA-N 344.367 2.951 0 50 EFAA CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 4760080 FBVSXKMMQOZUNU-NSHDSACASA-N 346.424 2.659 0 50 EFAA biogenic,in-vitro COc1ccc(OC)c(NC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 363406820 QDPLZCUPSDZBSS-HOTGVXAUSA-N 333.432 2.794 0 50 EFAA CN(Cc1ccc2nonc2c1)Cc1cnc(N2CCCC2)s1 215567144 IFHSVHXLAYCPLO-UHFFFAOYSA-N 329.429 2.912 0 50 EFAA NCCc1cccc(CN2CCCC[C@H]2CCN2CCCC2=O)c1 77407075 JXIQKESGMZTWSR-IBGZPJMESA-N 329.488 2.555 0 50 EFAA c1ccc2c(c1)cnn2CCCN[C@@H]1CCOC2(CCOCC2)C1 77437879 VPBUUDLWJCETAI-QGZVFWFLSA-N 329.444 2.744 0 50 EFAA CCc1oc(C(=O)NC[C@@H]2CCCN(C)C2)cc1CN1CCCC1 71278656 NVDRMPXSRKDHER-HNNXBMFYSA-N 333.476 2.509 0 50 EFAA N[C@H]1CCCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 158096690 VUHYRLHWHVVWJY-HKMNZKMDSA-N 337.423 2.624 0 50 EFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1ccc(CO)o1 215239307 AEZRINGIUMYUJC-UHFFFAOYSA-N 334.322 2.812 0 50 EFAA COCC1(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)CCC1 375314300 SICJEGATMPQXAO-HNNXBMFYSA-N 325.355 2.681 0 50 EFAA NCCCN1C(=O)CC[C@H]2CN(C/C=C/c3ccc(F)cc3)CC[C@H]21 72432586 XKJBSBNZGMRFKT-PXZIRBJMSA-N 345.462 2.501 0 50 EFAA Cn1c(CN2CC[C@@H](C(=O)N3CCCC3)C2)nc2cc(Cl)ccc21 376552992 LJTZTWYQQOCJPT-CYBMUJFWSA-N 346.862 2.671 0 50 EFAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cc4c(nc2O)CCCCC4)[C@H]31 377159112 VOZNPXZEGHDXGD-LGEZUQEUSA-N 342.439 2.552 0 50 EFAA C[C@]1(NC(=O)Nc2c[nH]nc2-c2nccs2)CCO[C@@H]1C1CC1 333501060 CTGRTEALWBZCTP-DOMZBBRYSA-N 333.417 2.612 0 50 EFAA CC[C@H]1CN(c2nccc(OC)n2)CCC(=O)N1Cc1ccccc1 71745536 SFEQESPKYFCKRD-INIZCTEOSA-N 340.427 2.503 0 50 EFAA CCCn1cc(C(=O)NCc2csc(N3CCCC3)n2)c(C)n1 215103746 RZYIBVLODSGGJP-UHFFFAOYSA-N 333.461 2.588 0 50 EFAA COc1ccc(OC)c(CCNC[C@H](O)COc2cccc(C)c2)c1 71767442 WZOXYBYAZGNOQZ-KRWDZBQOSA-N 345.439 2.584 0 50 EFAA CC(C)c1nc(N2CC(N3CCCC[C@H]3C)C2)c2cnn(C)c2n1 72171144 QZSDZZGDYGCNGE-CYBMUJFWSA-N 328.464 2.550 0 50 EFAA CC(C)Cc1nnc2sc(CCc3cn4ccccc4n3)nn12 71388788 VXDZBSAYIFQZGW-UHFFFAOYSA-N 326.429 2.817 0 50 EFAA CC[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 48673949 TVSMLAZFJINCAP-VIFPVBQESA-N 333.866 2.873 0 50 EFAA CCOc1nnc(CN[C@@H](c2cccs2)C2(CO)CCC2)s1 452060143 LTHBMGZBFOQEIJ-ZDUSSCGKSA-N 339.486 2.992 0 50 EFAA COCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71589518 YEGQWXWAGSZBJT-GOSISDBHSA-N 336.451 2.921 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC[C@H]3CN3CCOCC3)c2c1 286227296 SRBBUJZPAQRNJQ-INIZCTEOSA-N 342.439 2.932 0 50 EFAA COC(=O)c1ccc(F)cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 241644394 PQJZHMRIDXUOMT-UHFFFAOYSA-N 346.362 2.747 0 50 EFAA O=C1C[C@@H](NCc2ccc3c[nH]nc3c2)[C@H](c2cccnc2)N1C1CC1 343444097 PCKGEHDMAVWOAE-QUCCMNQESA-N 347.422 2.552 0 50 EFAA NC(=O)c1cccnc1-c1cccc(C(=O)N2CCC(F)(F)CC2)c1 426505662 FYTBBBAXWJETCZ-UHFFFAOYSA-N 345.349 2.719 0 50 EFAA CC[C@@]1(C)CN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)CCO1 290895947 GQPVELIHCGDFCR-IBGZPJMESA-N 346.475 2.701 0 50 EFAA O=C(CSCCN1CCCC1)NCc1ccnc2ccccc12 426404421 XQUOAUMYABQTRH-UHFFFAOYSA-N 329.469 2.680 0 50 EFAA CC1(CCC(=O)N2CCC(n3cc(C4(O)CCCC4)nn3)CC2)CC1 48134971 QKUBABPDAYZTEY-UHFFFAOYSA-N 346.475 2.784 0 50 EFAA Cc1n[nH]c(C)c1CN1C[C@H](C2CC2)[C@@H](NC(=O)CC2CCC2)C1 91547589 NGTXSIIVTCGTDM-MSOLQXFVSA-N 330.476 2.543 0 50 EFAA O=C(Cc1ccc(CO)cc1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95522708 VCBSTVIUVTZEGW-UHFFFAOYSA-N 347.418 2.696 0 50 EFAA COc1cccc([C@@H]2[C@H](NCC3=CCCOC3)CCN2C2CC2)c1 180376010 RMTPOFGWBVMVMJ-WOJBJXKFSA-N 328.456 2.909 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc2c1ccn2C 95368644 OMZSMCBHCZUFKQ-QGZVFWFLSA-N 327.428 2.651 0 50 EFAA Cc1ccc2nc(CCCn3cc(-c4nccn4C)nn3)[nH]c2c1C 91441373 WFKAYMFCEWEQOD-UHFFFAOYSA-N 335.415 2.805 0 50 EFAA CC1(C)CNC(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2C1 95356338 WWWNHQQILDQGQY-UHFFFAOYSA-N 335.411 2.634 0 50 EFAA CN(CCNC(=O)c1cccc(-c2ncc[nH]2)c1)CCc1ccccc1 97594957 PABFBAJSSNKEQK-UHFFFAOYSA-N 348.450 2.981 0 50 EFAA O=C(C1CCOCC1)N(Cc1ccncc1)C[C@H](O)c1ccccc1 97546475 SAZXWCHMUZEUOC-IBGZPJMESA-N 340.423 2.570 0 50 EFAA COc1ccc(Br)c(C(=O)NC[C@H](C)CCCO)c1 295398330 JTCNTQFQZOUMBM-SNVBAGLBSA-N 330.222 2.596 0 50 EFAA CCCc1ncncc1C(=O)NC[C@@H]1CCOc2ccccc2C1 96130832 KXTAUYHIAWEAJW-CQSZACIVSA-N 325.412 2.800 0 50 EFAA CSCCC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 95500332 LZVGXGQJHIHTIJ-UHFFFAOYSA-N 344.484 2.786 0 50 EFAA O=C(Cc1cccs1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91665441 LEEJYQQIMRMXSS-LJQANCHMSA-N 346.496 2.932 0 50 EFAA C[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1cnn(-c2ccccc2F)c1 252516770 WUODGXLSIASXPX-NFAWXSAZSA-N 331.391 2.740 0 50 EFAA CN(C)c1cc(CN2CC[C@H](n3cnc4c3CCCC4)C2)ccn1 299743371 NJSMADISXOIIBE-INIZCTEOSA-N 325.460 2.670 0 50 EFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1CCOC1 299752645 UVTUPIMNLSWQPU-LBPRGKRZSA-N 345.317 2.545 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NC(C)(C)Cc1ccc(O)cc1 299778486 HKRBLLUPELLZOQ-KRWDZBQOSA-N 343.423 2.578 0 50 EFAA Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)s1 299756685 DKDXMJNATLMDJR-UHFFFAOYSA-N 340.456 2.671 0 50 EFAA O=C(CCC(=O)N1CCN(CC2CCCC2)CC1)N1CCCCCC1 584887054 FSUDZJDJMJLAJV-UHFFFAOYSA-N 349.519 2.504 0 50 EFAA O=C([C@@H]1CCN(CC(F)(F)F)C1)N1CCCCc2cccnc21 872292689 MWLMTYUCSGZCJX-CYBMUJFWSA-N 327.350 2.635 0 50 EFAA C[C@H](C(=O)N1CC[C@@](O)(Cc2cccc(F)c2)C1)c1cccc(O)c1 1875271645 ACCINZZRKZWTEC-VBKZILBWSA-N 343.398 2.841 0 50 EFAA CC(C)(C)c1cc(C(=O)NCc2nc(-c3cccc(O)c3)no2)no1 1875274852 NTAOANPXNHOZMW-UHFFFAOYSA-N 342.355 2.658 0 50 EFAA C[C@@H]1c2ccc(O)cc2CCN1C[C@@H](O)COCc1ccccc1 1875281672 PIPHMQKBCXREAZ-DNVCBOLYSA-N 327.424 2.889 0 50 EFAA Clc1ccccc1CN=c1ccc2nnc(-c3ccncc3)n2[nH]1 1875360547 DJBILRMZRCGVQA-UHFFFAOYSA-N 336.786 2.874 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H]1CCc2ccccc21 952861568 IDPZXLFDOJVUDH-MRXNPFEDSA-N 334.379 2.944 0 50 EFAA CCn1c(O)nc2cc(C(=O)N3CC[C@H](C(F)(F)F)C3)ccc21 888025377 VGXLZSCRWYYIDH-JTQLQIEISA-N 327.306 2.786 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)s1 1565516203 ZJTDMIMRVZCHNM-HIFRSBDPSA-N 332.469 2.920 0 50 EFAA CCC[C@]1(C(=O)O)CCCN1C(=O)c1ccncc1Br 395846650 JGVXNUOKUAJINB-CQSZACIVSA-N 341.205 2.704 0 50 EFAA Cc1noc(C)c1CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 277507729 VYUAOEYHWVTHGS-LPHOPBHVSA-N 326.396 2.691 0 50 EFAA CC(C)C[C@]1(c2nc(-c3ncccc3OC(C)C)no2)CCNC1=O 632172545 NLRLEHJUTJSGSJ-GOSISDBHSA-N 344.415 2.723 0 50 EFAA Cc1ccc(NC(=O)CN(C)CCN(C)CC(F)F)c(Cl)c1 170598190 BXIFZNGFZLWVLT-UHFFFAOYSA-N 333.810 2.716 0 50 EFAA C[C@H](Oc1ccccc1F)C(=O)NC12CCC(C(=O)O)(CC1)CC2 404333653 DQBOJYKFKVVPHD-KAMYHZANSA-N 335.375 2.887 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(c2nc(O)c3ccccc3n2)C1 302151273 LSDRFKXBYHTZBE-ZDUSSCGKSA-N 340.383 2.736 0 50 EFAA CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)C2(C)CC2)no1 408460806 RIZIYYFAFQPPDS-GFCCVEGCSA-N 327.450 2.992 0 50 EFAA Cn1cc(-c2nn(C)cc2NC(=O)c2cc3c(s2)CCC3)cn1 408516065 JEFLEWGLAPGVPU-UHFFFAOYSA-N 327.413 2.623 0 50 EFAA COc1cccc(C(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)c1 408518060 SOXFUNRMXDQLKO-GFCCVEGCSA-N 330.350 2.699 0 50 EFAA O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CC12CCS(=O)(=O)CC2 188205549 KZTIZOUVSNTCPL-JTQLQIEISA-N 331.796 2.633 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCN1 188440697 UQKVWYCMTLOGCF-GFCCVEGCSA-N 333.819 2.748 0 50 EFAA O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc(F)c(Cl)cc1F 191965938 NTIBCWYQIBVBCN-JTQLQIEISA-N 341.741 2.657 0 50 EFAA Cc1cnc(CCNC(=O)N[C@@H]2COc3ccc(F)cc3C2)c(C)c1 654569252 LPDZQZNHJSHKNX-INIZCTEOSA-N 343.402 2.683 0 50 EFAA O=C([C@@H]1OCCc2ccccc21)N1CCN(c2cccc(F)c2)CC1 676722373 CQXVZVKQVDHFFV-LJQANCHMSA-N 340.398 2.788 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)c1cnn(C)c1Cc1ccccc1 770480424 GLXRPTCHUSFLFG-HXUWFJFHSA-N 349.434 2.783 0 50 EFAA Cc1noc(-c2ccnc(N3CCC[C@H](C(=O)c4ccccn4)C3)c2)n1 1506397284 PJBVTFZMHGASCA-HNNXBMFYSA-N 349.394 2.934 0 50 EFAA CCOc1ncccc1C(=O)N(C)Cc1ccc2nsnc2c1 1506419156 YRSJUFABHVYDRB-UHFFFAOYSA-N 328.397 2.757 0 50 EFAA CCN(CCOc1cccc(C)c1)C(=O)CSc1nnc(C)o1 1506421048 SSEIHHWOOBYWKZ-UHFFFAOYSA-N 335.429 2.706 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3c(C)ccc4ncccc34)C[C@H]2O)n[nH]1 1529139247 NALNOEYJTKXRLD-FOIQADDNSA-N 336.439 2.610 0 50 EFAA CC(C)[C@H]1CN(Cc2c[nH]nc2C(=O)O)C[C@@H](c2ccccc2)O1 1529091698 PEOWRUSXWQRSMT-CVEARBPZSA-N 329.400 2.706 0 50 EFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(C4CCC4)C[C@H]32)cc1 209403999 ACLSSMSKPMVPFW-MSOLQXFVSA-N 330.428 2.685 0 50 EFAA O=C(NCCc1nccs1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 11879875 PKBHKXZVSLFSEC-AWEZNQCLSA-N 349.500 2.763 0 50 EFAA CCCc1noc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)n1 12021405 YRAODXPHRZEZDO-KRWDZBQOSA-N 329.444 2.838 0 50 EFAA CCn1ccnc1CN[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12446149 NTGFTMPBQPYXGU-MRXNPFEDSA-N 334.427 2.922 0 50 EFAA CC(C)n1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cn1 19299928 HGDHCKDAARPBFJ-FQEVSTJZSA-N 342.487 2.533 0 50 EFAA Cc1cc([C@H]2CCN(C(=O)[C@@H](CN)c3ccccc3Cl)C2)on1 1857530333 LRCXVGICKBMTJL-JSGCOSHPSA-N 333.819 2.695 0 50 EFAA COc1cccc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1857722237 SNXBVAFEERQSDR-UZLBHIALSA-N 349.434 2.674 0 50 EFAA COc1ccc([C@@H](Nc2ncnc(N)c2Cl)c2nccn2C)cc1 302784386 LUCIRKLYLMHDOU-CYBMUJFWSA-N 344.806 2.656 0 50 EFAA COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 2554931 WHFUDAOCYRYAKQ-LBPRGKRZSA-N 327.380 2.867 0 50 EFAA biogenic,in-vitro C[C@@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 328627077 FUEXNSVTXFVBCC-XIRDDKMYSA-N 332.423 2.593 0 50 EFAA Nc1nccc([C@H]2CCCN(C(=O)c3coc(C4CCCC4)n3)C2)n1 329043311 FALALUOJAVUZED-ZDUSSCGKSA-N 341.415 2.724 0 50 EFAA C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cn2)CC1 122670696 QWECIKOPIZAVTD-CYBMUJFWSA-N 343.406 2.963 0 50 EFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 331865070 XOHWGDRYDGMDHL-SNVBAGLBSA-N 336.779 2.634 0 50 EFAA C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 128054763 MHJHLMJYDAOCEW-HYEGPXJVSA-N 328.456 2.975 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2CN)cc(C)c1OCc1cccnc1 237692533 HAVQTKUTYHZQBM-GOSISDBHSA-N 339.439 2.841 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cccn2CCc2ccccc2)C1 237654610 WTMRDYMPRVZRFM-IBGZPJMESA-N 326.396 2.668 0 50 EFAA CCN(c1ccccc1OC)S(=O)(=O)c1csc(C(=O)O)c1 344396361 XBGVRUJLGBTIIK-UHFFFAOYSA-N 341.410 2.670 0 50 EFAA CC(C)Cc1nc(CN2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)no1 248204632 ZEFBKXFGGOMBPU-CABCVRRESA-N 347.390 2.707 0 50 EFAA CCc1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)cc1 253395697 ZSMKKFNXNMPZKB-UHFFFAOYSA-N 336.395 2.943 0 50 EFAA Cc1nc(CNC(=O)C[C@@H]2CCc3ccccc32)sc1C(=O)O 679398386 DEXNQZXOSOEKJS-LBPRGKRZSA-N 330.409 2.886 0 50 EFAA CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2O)[C@@H]2COC[C@H]2O1 824126978 VWXAABPQNMSTHW-VXGBXAGGSA-N 346.210 2.717 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(N)c1)[C@H]1CCN(Cc2ccccc2)C1 261594142 ZNWRZGZNKAMOES-APWZRJJASA-N 337.467 2.838 0 50 EFAA Cc1nc(NC(=O)c2cnc(Nc3ccccc3)nc2)nn1C(C)C 2100556868 TZUZGXYMHPOFGT-UHFFFAOYSA-N 337.387 2.953 0 50 EFAA NC(=O)c1ccc(OCC(F)F)c(NCc2ccnc3[nH]ccc23)c1 2325735287 KSPYOWFYLGPERB-UHFFFAOYSA-N 346.337 2.918 0 50 EFAA COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)c1csc(C)c1 2325737539 RYKSTMMGUVNUGW-UHFFFAOYSA-N 345.373 2.703 0 50 EFAA CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2nsc3ccccc23)C1 2325762799 GMKLDMZCTLSXOQ-ZDUSSCGKSA-N 345.468 2.921 0 50 EFAA COc1cc(NC(=O)Cc2ccc3c(c2)CCCO3)ccc1C(=O)O 844155289 MAJDVCYCLZFYBG-UHFFFAOYSA-N 341.363 2.900 0 50 EFAA Cc1nc([C@@H](C)N)sc1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 2325858511 QEJMMTQWTHCPNR-SECBINFHSA-N 342.424 2.575 0 50 EFAA Cc1cccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c1 465464 VFJVNWXOXRXWIO-ZDUSSCGKSA-N 342.376 2.512 0 50 EFAA O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 467692 FWSSHZFMRZPXAU-UHFFFAOYSA-N 340.404 2.757 0 50 EFAA COCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 8723155 FGRSGJQGCJIDCM-UHFFFAOYSA-N 329.352 2.751 0 50 EFAA Cc1cccc(C[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 101419817 STUYLSGEZFAEPX-INIZCTEOSA-N 337.375 2.842 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CCO1 248545144 IZYQUEZEJIWZNV-HRCADAONSA-N 332.444 2.595 0 50 EFAA CCCN1CCC(Cc2noc(-c3c(C)cc(C)[nH]c3=O)n2)CC1 67691997 UANVHUXPAPVZMU-UHFFFAOYSA-N 330.432 2.706 0 50 EFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)nc2)C1 67674704 ORUOAIFRXLHRKK-HNNXBMFYSA-N 340.427 2.939 0 50 EFAA CCN(C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)[C@@H](C)CS(C)(=O)=O 229665005 ZEVFFFFLHJIRMM-VNHYZAJKSA-N 341.473 2.617 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cccnc1 229734080 VZIPKHMSKJKQEJ-CPUCHLNUSA-N 332.425 2.621 0 50 EFAA CCS[C@@H]1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2F)C1 229836223 LGDMFZYFSLRCIO-LALPHHSUSA-N 326.437 2.833 0 50 EFAA Cc1ccn(-c2ccccc2NC(=O)N2CCN(C(C)C)CC2)n1 151070035 NEKYEFWTYHVSAC-UHFFFAOYSA-N 327.432 2.739 0 50 EFAA CC(=O)c1csc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 172793208 WBXHOGNOAIPPLB-XHDPSFHLSA-N 342.420 2.875 0 50 EFAA CCOC(=O)c1ccc(Nc2nc3nonc3nc2NC(C)C)cc1 184102 YFEKBWASUSCMHS-UHFFFAOYSA-N 342.359 2.753 0 50 EFAA NCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67743688 IYYCXMYZLKCZAN-UHFFFAOYSA-N 347.418 2.698 0 50 EFAA O=C1NCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)c2ccccc21 253398699 ZUYFRBUPVWINQP-KKSFZXQISA-N 348.402 2.503 0 50 EFAA O=C1CNC(=O)N1Cc1ccccc1-c1noc(-c2ccsc2)n1 253419848 SRPUHKLKXOYYAL-UHFFFAOYSA-N 340.364 2.517 0 50 EFAA COC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 5814236 KPGHLALSFXFXCX-OAHLLOKOSA-N 341.363 2.758 0 50 EFAA CC1CCN([C@@H](C)CNC(=O)c2cnc(O)c3ccccc23)CC1 253537010 ZODYEBAZTWVVBW-AWEZNQCLSA-N 327.428 2.791 0 50 EFAA Cc1ccc(CN(CCO)CCc2ccc3c(c2)OCCO3)cc1 361088766 SFTOSEWITASTHI-UHFFFAOYSA-N 327.424 2.803 0 50 EFAA Cc1c(S(=O)(=O)Nc2cc(C)n(C3CCCCC3)n2)cnn1C 330225482 OFJKXSPPICQDKY-UHFFFAOYSA-N 337.449 2.539 0 50 EFAA Cc1ccc2[nH]c(C(=O)N3CCN[C@H](c4cccnc4)C3)c(C)c2c1 367242978 GJHGBKPFPPINQX-SFHVURJKSA-N 334.423 2.966 0 50 EFAA CC1(C)CCN(S(=O)(=O)c2cnn3c2OCCC3)c2ccccc21 333104523 CUSADQYGSBCPGZ-UHFFFAOYSA-N 347.440 2.542 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)CSC)(c2ccccc2)CC1 490737135 XVOJNWKJZHDOCH-HNNXBMFYSA-N 346.496 2.601 0 50 EFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(-c2ccc(F)cc2)on1 158380382 PMDSBEHXZPUILO-FUHWJXTLSA-N 338.338 2.869 0 50 EFAA CC[C@](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)(C(=O)O)c1ccccc1 262501259 ZEFREEOHVDCWGA-HXPMCKFVSA-N 343.427 2.647 0 50 EFAA COC(=O)c1cccc(C(=O)N2CCCN(C3CCCCC3)CC2)c1 77319560 XGRIVWHSVJOHNW-UHFFFAOYSA-N 344.455 2.954 0 50 EFAA O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1[C@H]2CCCC[C@H]21 245453725 GBTBXHMLJXYZBB-DLTWYDFYSA-N 334.485 2.674 0 50 EFAA C[C@@H](OCC(=O)N1CCSC2(CCCCC2)C1)c1nccn1C 376858394 LOPUXBTVFNTYTM-CQSZACIVSA-N 337.489 2.776 0 50 EFAA Cc1nc(CNC(=O)c2ccccc2S[C@H](C)C(N)=O)sc1C 240465858 GAVLFASXFNGQPB-LLVKDONJSA-N 349.481 2.656 0 50 EFAA C[C@@](O)(CN1CCC[C@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 241124310 JHFJOKTZUJNGMI-FUHWJXTLSA-N 349.452 2.728 0 50 EFAA C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)N[C@@H]1CCCC[C@H]1C 241316774 LUVHJKKLDBCTGZ-JKIFEVAISA-N 332.444 2.993 0 50 EFAA OC1(COc2cnc3c(Br)cccc3c2)CCOCC1 242183884 XCSVCAWOGHLTNL-UHFFFAOYSA-N 338.201 2.918 0 50 EFAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2cc(C)cn2)cc1 242389448 ZXGRHBZEDXPSIB-MJGOQNOKSA-N 338.455 2.880 0 50 EFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H](C)c1cccc(F)c1 457250301 CLTMNUPTDHRFQC-CYBMUJFWSA-N 347.434 2.955 0 50 EFAA Cc1cc(NCCc2csc(-c3ncccn3)n2)n2nccc2n1 72407257 FOLDVVNHXLUSPH-UHFFFAOYSA-N 337.412 2.606 0 50 EFAA c1ccc2[nH]c(CCCNc3nnc(-c4ccon4)s3)nc2c1 340021330 IBGMVSKKVOQLDT-UHFFFAOYSA-N 326.385 3.114 0 50 EFAA Cn1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)nn1 288404511 IEUGIEIMRFQCGO-UHFFFAOYSA-N 347.422 2.872 0 50 EFAA Cc1coc(CC(=O)O)c1C(=O)NC(C)(C)c1nc(C)c(C)s1 263402867 GZKWFHFZQLKPKP-UHFFFAOYSA-N 336.413 2.954 0 50 EFAA COC(=O)c1cccc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1 426612563 PNLHWQCAZGISIW-KRWDZBQOSA-N 325.364 2.659 0 50 EFAA C[C@@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccccn1 180290785 CNLIHNDVVGINKN-CABCVRRESA-N 333.432 2.908 0 50 EFAA c1ccc(-n2nc([C@H]3CCOC3)nc2C2(Cn3ccnc3)CC2)cc1 97475550 XLNCZMKVQIKMSH-HNNXBMFYSA-N 335.411 2.700 0 50 EFAA CCn1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)cn1 95355778 NFDOGSSKVRYNIJ-RBUKOAKNSA-N 338.455 2.526 0 50 EFAA Cc1nc(N[C@@H](C)c2nc(-c3cccnc3)no2)c2cccnc2n1 95385249 LJUNLTJMMWZUCB-JTQLQIEISA-N 333.355 2.951 0 50 EFAA C[C@@H](c1ccc(C(=O)NCCC(=O)N2CCCC2)o1)N1CCCCC1 97551224 JQCPUTGQRJNNJF-HNNXBMFYSA-N 347.459 2.569 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccc(F)cc1 91254600 SJZQGUCRWZKYIV-UHFFFAOYSA-N 349.431 2.874 0 50 EFAA CCc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)ccn1 92065841 VUZAAQBMVXCKSQ-DLBZAZTESA-N 342.370 2.724 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)[C@H](c2cccnc2)N2CCCC2)c1 95521695 APVOQYKZDYYTEZ-IBGZPJMESA-N 338.455 2.889 0 50 EFAA CCCn1ncc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)c1C 91859173 FSBQCFAIISNMBC-GOSISDBHSA-N 342.443 2.582 0 50 EFAA CC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[nH]2)C1 91594739 HGZDJLZZMGLUQL-IBGZPJMESA-N 331.460 2.996 0 50 EFAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(O)nc2ccccc12 230069206 JJMJOHPGKFUBRV-KSSFIOAISA-N 339.439 2.935 0 50 EFAA Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@](O)(CO)C2)c1 96179910 SMUBBPVBYFDVCC-LJQANCHMSA-N 342.395 2.748 0 50 EFAA O=C(CCCn1ccnc1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 240163545 JBVGOUSEIDMZAJ-HNNXBMFYSA-N 346.862 2.959 0 50 EFAA CN(C)c1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc2n1 182760634 BKMQKSGPBNBKDC-OAHLLOKOSA-N 338.455 2.611 0 50 EFAA CC[C@H]1C[C@@H](C(=O)NC2CCN(c3ccccc3OC)CC2)CCO1 183648493 HPTKIUMZVHRTLM-RDJZCZTQSA-N 346.471 2.985 0 50 EFAA CC(C)c1noc([C@@H](C)NC(=O)c2cc3c(nc2O)CCCC3)n1 822280911 GRTFKWMCUZQJFQ-SNVBAGLBSA-N 330.388 2.663 0 50 EFAA CC[C@@H](C)Cc1nc(Cn2ncc3ccccc3c2=O)n(CC)n1 822620074 YGHUYKKZZSQSJV-CYBMUJFWSA-N 325.416 2.645 0 50 EFAA CCc1ocnc1-c1nc(-c2cccc3c2ccn3C)nn1CCO 828778566 ZOOOIXJKDMJCNF-UHFFFAOYSA-N 337.383 2.647 0 50 EFAA CSCc1nc(CNC(=O)N(C)Cc2cc(C)no2)cs1 584890275 LWNIHHNKUFNDAR-UHFFFAOYSA-N 326.447 2.644 0 50 EFAA CC(C)c1ccc([C@H](CO)NC(=O)c2ccc(C(=O)O)cc2)cc1 1875286808 GZAAWKUBUHDYRV-KRWDZBQOSA-N 327.380 2.972 0 50 EFAA Cc1cc(=N)[nH]cc1C1CCN(C(=O)c2c(N)cccc2F)CC1 1875296749 NBGSRHDELOSJPJ-UHFFFAOYSA-N 328.391 2.544 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H](CO)C[C@H]21)c1c2c(nc3ccccc13)CCC2 1875274540 HEUXGUGZEQLESX-HAELCTKSSA-N 336.435 2.860 0 50 EFAA CCc1nc2sc(C)cn2c1C(=O)NC[C@H]1CCc2c[nH]nc2C1 1875320564 FIFZZZAYJPOCGX-NSHDSACASA-N 343.456 2.525 0 50 EFAA O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CC(C2CCOCC2)=NO1 1875300983 YTAYVFMKLFCOSA-ZBFHGGJFSA-N 346.452 2.911 0 50 EFAA CCC(=O)N[C@@H](C)C(=O)Nc1cc(C)ccc1NC(=O)C1CCCC1 952978047 ASJFXHSQTCIXLI-ZDUSSCGKSA-N 345.443 2.977 0 50 EFAA Cc1nccc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)n1 1775991972 NWVUJTUAAHEMGD-NSHDSACASA-N 331.395 2.551 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)c(C)s1 1565531027 SMMBJLYTJCOLFP-KGLIPLIRSA-N 330.519 2.572 0 50 EFAA Cc1ccc(Br)c2c1N(C(=O)[C@H](C)n1cncn1)CCC2 272204031 JKHVIWLBTSECIL-NSHDSACASA-N 349.232 2.889 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1CCC1 186083137 HIZKUTQZLARLJP-GFCCVEGCSA-N 326.318 2.727 0 50 EFAA CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cn1 276918023 KUMBPKHCXDYRLP-JXFKEZNVSA-N 337.423 2.504 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 276940505 ATLIPQKVSGZSGW-PBHICJAKSA-N 331.391 2.833 0 50 EFAA O=C(Nc1ccc(Br)nc1O)c1cc(F)c(O)c(F)c1 170611637 JPNTWRPNNVNWKE-UHFFFAOYSA-N 345.099 2.786 0 50 EFAA Cc1ccc([C@@H](NC(=O)[C@H]2CCCCC(=O)N2)c2ccccn2)cc1 280625083 QOMDHFPBVXSPJS-IEBWSBKVSA-N 337.423 2.654 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c2c(C)n[nH]c2n1 281867760 DQNBLHSXYGGWGM-NUEKZKHPSA-N 342.443 2.730 0 50 EFAA CCOc1cc(N[C@@H]2CCCN(c3ccccc3F)C2=O)ncn1 302398713 KNLNOFDSQWSTNX-CYBMUJFWSA-N 330.363 2.622 0 50 EFAA Cc1cc(C)c(NC(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1 408467284 ODIBUCVWNGXLTD-UHFFFAOYSA-N 332.448 2.729 0 50 EFAA CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NC[C@H]1CCCOC1 408522089 CTDMTQLMBXCDJM-KGLIPLIRSA-N 340.464 2.565 0 50 EFAA C[C@@H]1C(=O)NCCCN1C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 189239885 VWXZYADKCMDZBB-LLVKDONJSA-N 342.361 2.720 0 50 EFAA Cc1cnc(C2CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)s1 225463727 FRIOSTWBMHQFLA-MRXNPFEDSA-N 349.500 2.805 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccoc1Cl 192443320 GIHVJTCQGZSETJ-CYBMUJFWSA-N 348.786 2.782 0 50 EFAA COC(=O)[C@H](CNC(=O)c1cccc2cc[nH]c12)c1ccc(F)cc1 192717499 VPHZMEDKNMARIK-MRXNPFEDSA-N 340.354 2.994 0 50 EFAA COC(=O)[C@H](CNC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 192745965 NSDPMKQAFNBRHL-MRXNPFEDSA-N 333.334 2.580 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(NCc3cccnc3)cc2)C[C@@H](C)O1 195136912 IWFGITOGTSWFPY-HUUCEWRRSA-N 325.412 2.943 0 50 EFAA CC1(C)CN(C(=O)c2ccc(OCC(=O)O)cc2)[C@@H]1c1ccncc1 663157703 RJUPVULSYRYHFO-QGZVFWFLSA-N 340.379 2.768 0 50 EFAA Cc1c(C(=O)N2CCOC[C@@H]2c2ncon2)sc2cccc(F)c12 678062323 OVCIPDHJHDKXEM-LLVKDONJSA-N 347.371 2.946 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2C)s1 681569323 ORAKPUBEHYUSNF-CYBMUJFWSA-N 339.438 2.859 0 50 EFAA O=C(OCc1cccc(C(F)(F)F)c1)[C@@H]1CCCCS1(=O)=O 772411383 USQAEQZKHUIIHT-LBPRGKRZSA-N 336.331 2.716 0 50 EFAA COCc1cc(CNC2CCN(c3cccc(C)c3C)CC2)[nH]n1 1506424989 AQEVEOSONWULPG-UHFFFAOYSA-N 328.460 2.932 0 50 EFAA COc1ccc(C(=O)N2CCCN(CCCCCCO)CC2)c(C)c1 1529125982 IDDPEOKQMHZMEI-UHFFFAOYSA-N 348.487 2.704 0 50 EFAA CN(C)[C@@H](C(=O)Nc1c2c(nn1C)CSC2)c1ccc(F)cc1 1529173682 PCMBUOFRVSSRDG-CQSZACIVSA-N 334.420 2.547 0 50 EFAA O=C(CCc1cccc(F)c1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529191696 BZLQBPQEINVPEH-SJLPKXTDSA-N 328.387 2.527 0 50 EFAA COc1cc2c(cc1OC)C1(CCN(C(=O)C3(C)CC3)CC1)OCC2 1704342360 NUBUSCSXWKVMJR-UHFFFAOYSA-N 345.439 2.894 0 50 EFAA CCc1nc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)no1 1772807606 ZOCPJDPVCGGXSO-UHFFFAOYSA-N 334.807 2.638 0 50 EFAA O=C(CCN1CCCCO1)N[C@@H]1CCCN(CC2CCCCC2)C1 12111933 HRSUFQPCRLNLTB-GOSISDBHSA-N 337.508 2.565 0 50 EFAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(C)C 13322961 PDMUVTIURGYFJB-UHFFFAOYSA-N 336.388 2.841 0 50 EFAA O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3cccs3)nn12 16266875 OAGHOMBUKXWKAF-WQLSENKSSA-N 329.381 2.566 0 50 EFAA Cc1cc(=O)oc2ccc(OCC(=O)N(C)Cc3ccco3)cc12 16649174 QYMXPNZUYCIGFP-UHFFFAOYSA-N 327.336 2.732 0 50 EFAA Cc1nc(N2CCC[C@H](c3nnc4ccccn34)C2)c2[nH]ccc2n1 1857686215 LWQDAUCFKFHINW-ZDUSSCGKSA-N 333.399 2.693 0 50 EFAA COc1ccc(-c2nccn2[C@H]2CCCN(C)C2)c(C(=O)O)c1OC 1857707978 CTTBOEWIBODOMQ-LBPRGKRZSA-N 345.399 2.532 0 50 EFAA OC[C@H]1[C@H]2CN(Cc3cc(C(F)(F)F)ccc3F)C[C@]23CC[C@H]1O3 1857717475 VADLYTRLDSEQII-SJXGUFTOSA-N 345.336 2.816 0 50 EFAA COc1ccccc1N1CC[C@@H](Nc2ncnc3sccc23)C1=O 301589742 CRGAYYFSHXRHML-GFCCVEGCSA-N 340.408 2.917 0 50 EFAA COc1cc(CNC(=O)[C@@H](O)C2CC2)ccc1OCc1ccccc1 408524132 YHFIWTTWNARVCX-IBGZPJMESA-N 341.407 2.661 0 50 EFAA O=C(CN[C@H]1CCCC[C@H]1Cc1ccccc1)NC1CCOCC1 119016323 DLXVBDNBBVBMRU-HKUYNNGSSA-N 330.472 2.673 0 50 EFAA c1nc(C2CC2)c(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)s1 329607796 CLONKJDAOLONLC-VXGBXAGGSA-N 332.429 2.996 0 50 EFAA CCC(=O)N1CC[C@H](c2nc(-c3ccnc(OC(C)C)c3)no2)C1 331636912 WRWKUPVOWOVTJC-ZDUSSCGKSA-N 330.388 2.645 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)C2CN(C(=O)C3CCCCC3)C2)s1 333736174 XIRZTZJZLJNPHB-UHFFFAOYSA-N 349.500 2.842 0 50 EFAA CCNC(=O)c1ccc(CNC(=O)NCc2ccc(CC)cc2)cc1 241587957 OYKBYPOVJIBUER-UHFFFAOYSA-N 339.439 2.998 0 50 EFAA Cc1oncc1C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 252014475 UXJWIQQAXYBXTC-IRXDYDNUSA-N 325.412 2.720 0 50 EFAA COC(=O)c1c(C)nc(O)nc1SC[C@@H](OC)c1ccccc1 253535199 YTDSHYMWCHBNEL-GFCCVEGCSA-N 334.397 2.757 0 50 EFAA CC(C)c1ccccc1NC(=O)CN1CCC(Cn2ccnn2)CC1 156119765 VICFBDJBQMWUIX-UHFFFAOYSA-N 341.459 2.752 0 50 EFAA COCc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 156780633 PYOXGDCDELJCFA-GOSISDBHSA-N 344.455 2.744 0 50 EFAA COCCc1ccc(-c2nc(C(F)(F)F)n3c2CNCC3)cc1 904751041 JFSWLHNMUKJFLG-UHFFFAOYSA-N 325.334 2.861 0 50 EFAA CN(C(=O)c1noc2c1CCCC2)[C@@H](c1ccccc1)c1nc[nH]n1 823653390 ZOGFULXJKDDROW-INIZCTEOSA-N 337.383 2.533 0 50 EFAA c1ccc(-c2coc(CN3CCN(Cc4nncs4)CC3)n2)cc1 929565751 YJTMWGCBPHORQK-UHFFFAOYSA-N 341.440 2.511 0 50 EFAA C=CC(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)n[nH]2)ccc1F 857462199 BNQIDKMDVYWSTR-UHFFFAOYSA-N 342.252 2.944 0 50 EFAA COC(=O)c1c(O)ccc(-c2ccc(NC(C)=O)cc2)c1C(=O)OC 188720 CWKFHYNLQGTKJG-UHFFFAOYSA-N 343.335 2.591 0 50 EFAA COc1nc2ccccc2cc1-c1ccc(S(N)(=O)=O)cc1F 2100543341 QEUDROOSPGUFFY-UHFFFAOYSA-N 332.356 2.697 0 50 EFAA C[C@@]1(CO)COCCN(C(=O)c2ccccc2Cc2ccccc2)C1 2325801010 QOEGFJBHBLYNPU-OAQYLSRUSA-N 339.435 2.748 0 50 EFAA CC(C)(C)c1ncc(S(=O)(=O)Nc2cnn([C@H]3CC3(F)F)c2)o1 2325801356 CXHCGFYYLSGTNY-VIFPVBQESA-N 346.359 2.550 0 50 EFAA OC[C@@H](N=c1cc[nH]c2ccccc12)[C@@H](O)c1ccc(Cl)cc1 2325840104 PFTUPHDYRRDRBK-MSOLQXFVSA-N 328.799 2.817 0 50 EFAA NC1(c2noc(-c3cc(Br)cn4ccnc34)n2)CCCC1 871787118 QZYQKATYNSZVBG-UHFFFAOYSA-N 348.204 2.875 0 50 EFAA COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)OCO2 611014 BTFIGONHUHNPAI-UHFFFAOYSA-N 328.324 2.524 0 50 EFAA CC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C 620848 XQYRTSQYQHLHRM-UHFFFAOYSA-N 336.413 2.705 0 50 EFAA CN[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1 133850954 UIEJVDPLIIHMMP-JTQLQIEISA-N 331.641 2.927 0 50 EFAA CC(C)NCCOCCOc1ccccc1I 2981132 QMLKTVVMAWZAPX-UHFFFAOYSA-N 349.212 2.685 0 50 EFAA Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1 4539562 ZSCMCWNMRKMRHX-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA COc1ccccc1CC(=O)NCc1nc(-c2ccc(C)cc2)no1 4821483 WPTLTMVJUSVXPX-UHFFFAOYSA-N 337.379 2.913 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 6747480 OZNRYADRXZFKKF-ZWKOTPCHSA-N 330.384 2.705 0 50 EFAA Cc1cc(C)cc(OCCCN(C)C(=O)CCc2cc(O)no2)c1 55054018 RIZBAEGHSCBYEJ-UHFFFAOYSA-N 332.400 2.857 0 50 EFAA CCN1CCC[C@@H](NC(=O)N2CCC(OCc3ccccc3)CC2)C1 52593402 SVOLRNHYSVUXCJ-GOSISDBHSA-N 345.487 2.862 0 50 EFAA CC(C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 54317549 SFVWQNPEQQMLRD-UHFFFAOYSA-N 326.352 2.806 0 50 EFAA CCc1ncc2c(n1)CN(CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 247806211 SSAAOSCOQINEPR-MAUKXSAKSA-N 342.487 2.578 0 50 EFAA CC[C@@H](C)n1nccc1NC(=O)c1c(-n2cnnn2)sc(C)c1C 65451909 FQFNGDHQXWIWNA-SECBINFHSA-N 345.432 2.760 0 50 EFAA CCN(CCOCCO)C(=O)Nc1nc2cc(F)c(C)cc2s1 282036257 KQKUMQYQKDTJNF-UHFFFAOYSA-N 341.408 2.607 0 50 EFAA Cc1cnccc1N1CCCN(C(=O)CCOc2ccccc2)CC1 82092572 XFRGZEATWYGOMN-UHFFFAOYSA-N 339.439 2.898 0 50 EFAA O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccon1 119608974 FFJHHTBWASKHEI-UHFFFAOYSA-N 343.364 2.728 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 229508176 ATFRFAHIRMBJTB-MJGOQNOKSA-N 343.471 2.922 0 50 EFAA CC[C@H](NC(=O)[C@H]1CCCO1)[C@H](O)c1ccc(C(F)(F)F)cc1 252512169 NMLKDTCXJMENEB-BFHYXJOUSA-N 331.334 2.813 0 50 EFAA CC(C)S(=O)(=O)CCn1ccnc1-c1cccc2ncccc12 67772330 CWVWYRGCCHNLBF-UHFFFAOYSA-N 329.425 2.922 0 50 EFAA Cc1cc(C)n2nc(SCC(=O)Nc3cccc(F)c3)nc2n1 3466855 WMGZCVBGXMDPQR-UHFFFAOYSA-N 331.376 2.611 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)CN(C)c2ccccc21 173729509 MWHARHFFNJNZNE-CRAIPNDOSA-N 343.471 2.897 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ccc(O)cn1 71315086 AKCKNDJQIQTNSG-UHFFFAOYSA-N 348.406 2.749 0 50 EFAA Cc1cc(=N[C@H]2CCO[C@@H]2c2nccn2C)c2cc(F)ccc2[nH]1 328823264 RTAKDAXONGGREH-RDJZCZTQSA-N 326.375 2.780 0 50 EFAA Cc1cc(N2CCC(O)(Cc3ccccc3)CC2)n2nc(C)cc2n1 72463836 CQYGOVLGZGEQPM-UHFFFAOYSA-N 336.439 2.920 0 50 EFAA CCCCN1C[C@]2(CCCN(Cc3cn(C)nc3C)C2)CCC1=O 77419896 APAZMUQJCYMGJG-LJQANCHMSA-N 332.492 2.733 0 50 EFAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1nnc(CC(C)C)s1 123711284 QZIIGIUDGRWTKH-UHFFFAOYSA-N 349.460 2.678 0 50 EFAA O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc2nc(S)[nH]c12 153492065 RNROYIGMVFGYBY-FZQKWOKYSA-N 347.415 2.678 0 50 EFAA C[C@@]1(O)CCN(C(=O)c2cccc(O)c2)C[C@@H]1Cc1ccccc1 72150215 GNEQMSDZHSMKMM-FXAWDEMLSA-N 325.408 2.848 0 50 EFAA CN(C)C[C@H]1CN(C(=O)c2cnc3ccccc3n2)c2ccccc2O1 363878310 IKCVFLHQBRCYPX-AWEZNQCLSA-N 348.406 2.599 0 50 EFAA O=C(Nc1ccn(-c2ncccc2F)n1)N1CCC[C@H]1C1CCC1 378288274 LFPVXIIGVKDBJM-AWEZNQCLSA-N 329.379 3.203 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)C1CCC(F)(F)CC1 262955506 HPEHXQYPYSHOQV-CQSZACIVSA-N 339.338 2.689 0 50 EFAA COc1ccccc1[C@H](O)CN[C@H]1CCC[C@@H](c2ccnn2C)C1 369587205 RJJFTGLSHOYQIO-RVKKMQEKSA-N 329.444 2.778 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(c2nccc3c2C(=O)OC3(C)C)C1 373056764 IMMICAWHOXCBME-GFCCVEGCSA-N 326.400 2.605 0 50 EFAA C[C@H](Oc1ccccc1NC(=O)N1CC[C@@H](C(=O)O)C1)C(F)(F)F 263072541 QEUZTJDKUHXXHN-VHSXEESVSA-N 346.305 2.955 0 50 EFAA OC[C@H]1COCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 72433268 AVLJWIPLJJABQI-FQEVSTJZSA-N 349.434 2.937 0 50 EFAA O=C1OCC[C@@H]2[C@H]1[C@@H]1CCCN1C21CCN(Cc2ccccc2)CC1 14944192 QTWXGPYSKRWGJN-QYZOEREBSA-N 340.467 2.679 0 50 EFAA O=C(CSc1ccncc1)N1CCO[C@@H](Cc2ccccc2)C1 15064686 AINHYGYBJJJVRU-INIZCTEOSA-N 328.437 2.644 0 50 EFAA COC(=O)[C@H]1CN(C(=O)c2scnc2C2CC2)c2ccccc21 179016774 GNKVNNLCLHAZCN-LBPRGKRZSA-N 328.393 2.938 0 50 EFAA COc1cccc(F)c1C(=O)N1CCN(c2ccccc2C)C(=O)C1 82162127 RXLGXQACEJVZSM-UHFFFAOYSA-N 342.370 2.632 0 50 EFAA CC1(C)CN(C(=O)c2n[nH]c3ccccc23)C[C@H](C(F)(F)F)O1 292386929 NJIVLEGMUVNIPC-LLVKDONJSA-N 327.306 2.745 0 50 EFAA O=C(O)COc1ccc(NC(=O)c2cc(C3CC3)no2)cc1Cl 263531680 MRLOHOWPEOYAHJ-UHFFFAOYSA-N 336.731 2.921 0 50 EFAA COc1ccccc1-c1cc(CNC(=O)c2ccc3[nH]nnc3c2)on1 223711587 IYQXQPKUHWKVQA-UHFFFAOYSA-N 349.350 2.552 0 50 EFAA Cc1csc(SCC(=O)NC[C@@H]2Cc3ccccc3CN2C)n1 220259533 GLHOYBRALLULNA-HNNXBMFYSA-N 347.509 2.717 0 50 EFAA c1ccc2c(c1)CC(N[C@@H]1COCC[C@@H]1OCc1cscn1)C2 223042435 IQHAXHGRNGZNPM-MSOLQXFVSA-N 330.453 2.574 0 50 EFAA OC[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1CN1CCCCC1 91974348 JFVICQAWQHSFFP-ZIAGYGMSSA-N 343.393 2.631 0 50 EFAA CNc1ccccc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 293798149 SPVZBYRHZXJEHF-UHFFFAOYSA-N 343.452 2.778 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1cn2ccsc2n1 95353379 YORMMLMZWFNWRD-LBPRGKRZSA-N 331.445 2.636 0 50 EFAA 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0 50 EFAA OC[C@@H]1COc2ccccc2[C@@H]1NCc1ccncc1Br 934212616 UFFWGMXYUAUHCJ-MLGOLLRUSA-N 349.228 2.676 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C 354923 TVQTWEZLNOFBGS-XIKOKIGWSA-N 333.384 2.939 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 2100556533 FGNGHTWINCTZTR-HNNXBMFYSA-N 342.399 2.809 0 50 EFAA Nc1c(C(=O)NC2CCCC2)nnn1-c1cccc(C(F)(F)F)c1 424355 SBKNETLGBJHOMU-UHFFFAOYSA-N 339.321 2.541 0 50 EFAA CC[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)c2nn[nH]n2)cc1 2325806971 QXBCHRITWQNVKF-OAHLLOKOSA-N 327.432 2.930 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)[C@H](O)C1=CCCCC1 2325820675 CMDXKVYXLGHZRC-ZWKOTPCHSA-N 325.412 2.602 0 50 EFAA NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ncnc3ccsc23)C1 2325863165 XYVPXSRHMNKSKS-JTQLQIEISA-N 342.399 2.608 0 50 EFAA CCN1CCC[C@@H](NC(=O)Nc2cnc(C(F)(F)F)c(C)c2)C1=O 931954216 OJWZHGXEKIBABG-LLVKDONJSA-N 344.337 2.541 0 50 EFAA O=C(N[C@H]1CCN2CCC[C@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 245358611 ZTLMMPOBYKKATA-ROUUACIJSA-N 343.471 2.941 0 50 EFAA Cc1ccc(OCC(=O)NCc2ccccn2)c(Br)c1 178521 VEZCYEMCCGWUJM-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA COC(=O)c1sc(NC(=O)c2cccs2)c(C(=O)OC)c1C 474180 XHTMWHNEEQHQNW-UHFFFAOYSA-N 339.394 2.944 0 50 EFAA CCn1c(CCn2nc(C)c(Br)c2C)n[nH]c1=S 2573485 MOKFPAIKVWJYQI-UHFFFAOYSA-N 330.255 2.779 0 50 EFAA NS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 4139451 MTAMSINFJAZOOC-UHFFFAOYSA-N 332.410 2.596 0 50 EFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1 4644700 FMNJIFBFVPADRF-ZDUSSCGKSA-N 340.832 2.874 0 50 EFAA COc1ccccc1NC(=O)C(=O)N[C@H](C)CCc1ccccc1 4801799 XEUISFSJBUXFSZ-CQSZACIVSA-N 326.396 2.771 0 50 EFAA CCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2C)c2cc(C)ccc21 101378636 PITVPLWTRZRZPE-INIZCTEOSA-N 347.418 2.935 0 50 EFAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)C1 248120836 KCRPUEOUHVMPFG-OIISXLGYSA-N 332.492 2.540 0 50 EFAA Cc1cc(C)cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 65364105 BUMJOBHKEVVNGK-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA CCCc1ccc([C@H](C)NC(=O)CNCc2cnc(C)cn2)cc1 65381603 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325.412 2.563 0 50 EFAA O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1[C@H]2CCCC[C@H]21 245420481 BMLISOIWDCUOTP-ZSYWTGECSA-N 346.446 2.751 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)NC1(CN2CCOCC2)CCCC1 215107902 QWEYGMDDELZXHU-GOSISDBHSA-N 342.483 2.868 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)N2CCC(c3nccs3)CC2)n1 240902816 IVNBJLUIWWBRCK-LBPRGKRZSA-N 349.460 2.959 0 50 EFAA COc1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 77489859 VVKYXKHTTKCCTO-QGZVFWFLSA-N 340.423 2.950 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)CCc1nc(-c2ccccc2)no1 46408193 DCNGKZGSOUNQCG-UHFFFAOYSA-N 340.383 2.933 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)CN(C)Cc1cccnc1 222951142 GFCNTFHXLHSWCC-LJQANCHMSA-N 339.439 2.716 0 50 EFAA C[C@@H](C(=O)O)c1cccc(NC(=O)CN2CCCCCCC2=O)c1 263357809 XOPALVPTQLCMAH-CYBMUJFWSA-N 332.400 2.606 0 50 EFAA Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)O)c(C)n2)s1 263369848 XQCCFYMHBIYPFI-JTQLQIEISA-N 333.413 2.995 0 50 EFAA CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H]1CCn2c(cnc2C)C1 289930720 WJXLEFWIBJGQMX-YJBOKZPZSA-N 339.439 2.956 0 50 EFAA 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CCN1CCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 97553420 DILRHAGTBCJDSS-IBGZPJMESA-N 329.488 2.820 0 50 EFAA COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CCNC2)cc1OC 237270647 BNQLUYYQIFFNJA-SJORKVTESA-N 346.471 2.627 0 50 EFAA CC(C)N1CCC[C@@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 95381884 JMUCOBRJJUBQGL-QGZVFWFLSA-N 347.478 2.985 0 50 EFAA Cc1cc(C)n2ncc(CN(C)Cc3noc4c3CCCC4)c2n1 97532476 XMKPSHOXVLHHEA-UHFFFAOYSA-N 325.416 2.845 0 50 EFAA Cc1ncsc1CCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244608565 FETWRTXPZXLIRT-BRWVUGGUSA-N 344.480 2.883 0 50 EFAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3ccccc3-c3ccc(F)cc3)C[C@H]21 244673857 HWUROPINIULSJT-FVQHAEBGSA-N 325.339 2.895 0 50 EFAA CC(C)[C@H](CNC(=O)NCc1ccc(=O)[nH]n1)c1ccc(Cl)cc1 298009156 ONLKNQIMGYSMED-HNNXBMFYSA-N 348.834 2.662 0 50 EFAA C[C@@H](CC(=O)c1ccccc1)NC(=O)Cc1ccc2c(c1)NC(=O)C2 183538596 LUFVBXJKZHPLDZ-ZDUSSCGKSA-N 336.391 2.501 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(Cc2nc(-c3cccnc3)no2)C1 252483579 FFLZWMIBRPKOOQ-IBGZPJMESA-N 336.395 2.534 0 50 EFAA 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C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCOCC1 170592231 LZDAGPUPIVEWOI-HNNXBMFYSA-N 345.487 2.611 0 50 EFAA CCOCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 170594573 FTLYONKFDMYDEC-UHFFFAOYSA-N 327.306 2.544 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1 170604489 IUMLLTKEAQJBJV-SJORKVTESA-N 336.501 2.932 0 50 EFAA CCCc1ncc(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)s1 170601766 AQQZKXAFVWEMCA-UHFFFAOYSA-N 349.460 2.564 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1 171246028 PKWJWHLHPSEZKK-OAHLLOKOSA-N 329.400 2.547 0 50 EFAA CCc1nnc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)o1 280553977 UNNQUXFRWYYGDG-ZWNOBZJWSA-N 341.333 2.959 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)COc2ccc(F)cc2F)s1 1506402572 OJGBBWRZGQWUDV-SSDOTTSWSA-N 329.328 2.541 0 50 EFAA c1ccc(-c2nc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)co2)cc1 1529104005 JWMSLRKTQINFBK-RTBURBONSA-N 339.439 2.637 0 50 EFAA COc1cc2c(cc1CN1C[C@@H](O)[C@H](Cc3ccncc3)C1)CCC2 1529179528 CBVWRYDRQDAURR-UYAOXDASSA-N 338.451 2.614 0 50 EFAA 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EFAA Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C 479537 WVBLIZMSOPTLPZ-UHFFFAOYSA-N 332.425 2.952 0 50 EFAA COC(=O)[C@H]1C[C@@H](Nc2nccc(-c3ccc(N(C)C)cc3)n2)C1 2356156853 UDWUOCYNXFUBGX-OKILXGFUSA-N 326.400 2.573 0 50 EFAA O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 2881720 UFCZBKFZBSIQED-MRXNPFEDSA-N 326.352 2.762 0 50 EFAA COc1ccc(/C=C\c2cc(C(F)(F)F)[nH]c(=O)n2)cc1OC 4946401 BBWBZYBFVRVVSR-HYXAFXHYSA-N 326.274 2.976 0 50 EFAA CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H](C(=O)O)C1 6742449 ZHHDDMVPWMBRGE-ZIAGYGMSSA-N 331.368 2.844 0 50 EFAA O=C(Cc1nc2ccccc2o1)NCCN1CCCc2ccccc21 20294167 NRPZCXLUHGLSEK-UHFFFAOYSA-N 335.407 2.939 0 50 EFAA Cc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1C 100118366 MYWIAEAAFGGFSO-LJQANCHMSA-N 334.419 2.994 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1ccnc(C2CC2)n1 345779035 DYSGPHDPTRMWJR-ZDUSSCGKSA-N 349.749 2.702 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348262043 HZYCCCDEKLSHLV-ZBEGNZNMSA-N 343.333 2.789 0 50 EFAA Cn1ccc(N2CCC[C@H](Oc3ccc4c(c3)CCCC4=O)C2=O)n1 150949448 BJKLEUHAMDWEIG-KRWDZBQOSA-N 339.395 2.514 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 237251833 SNNDDPXHTVXRLW-HNNXBMFYSA-N 325.412 2.946 0 50 EFAA COC(=O)c1ccc([C@H](C)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)o1 252510577 AJEFMALNULWYDJ-GUTXKFCHSA-N 346.427 2.603 0 50 EFAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(CCC(N)=O)C2 67769604 PFRXHVHOFCLVLN-UHFFFAOYSA-N 346.452 2.802 0 50 EFAA COc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)c(F)c1 12431253 AFZBHCOPCDHPOL-UHFFFAOYSA-N 346.406 2.826 0 50 EFAA CC[C@@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1CCCO1 128423048 XEFGIKKWJJHIED-OLZOCXBDSA-N 333.413 2.713 0 50 EFAA COc1ccccc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 2795623 XQVKIXAPLSREED-JTQLQIEISA-N 338.205 2.929 0 50 EFAA Cc1cc(NCc2cn3cccnc3n2)ccc1-n1nnnc1C(C)C 253426365 FQJIYSWIXKWUJS-UHFFFAOYSA-N 348.414 2.749 0 50 EFAA CC(C)CCC[C@@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CCO1 71714985 SALREHYFICFIEW-CQSZACIVSA-N 335.448 2.561 0 50 EFAA C[C@@H]1CN(C(=O)NCc2cnn3ccccc23)Cc2ccccc2O1 368062401 KEZIQPNIHVYINK-CQSZACIVSA-N 336.395 2.827 0 50 EFAA O=C([C@@H]1CCc2ccccc21)N1CCN(C2CCSCC2)CC1 215310239 FSBLQBCWEKCCTA-GOSISDBHSA-N 330.497 2.756 0 50 EFAA OC[C@]1(Cc2ccccc2)CCCN(Cc2cn3cccnc3n2)C1 368280839 MIEMTDPFKWGJQD-FQEVSTJZSA-N 336.439 2.547 0 50 EFAA CN(Cc1ccc2nsnc2c1)[C@H]1CCOC2(CCOCC2)C1 77520504 QYQAICYDMGSPPJ-AWEZNQCLSA-N 333.457 2.851 0 50 EFAA C/C=C/CN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77539032 RGDUAMKJBLWDGG-ZOXCZHJPSA-N 327.472 2.905 0 50 EFAA O=C(N1CCc2c(nc[nH]c2=O)C1)[C@@]1(c2ccccc2)CC12CCCC2 71763065 OTYWBSDEYZLSNT-NRFANRHFSA-N 349.434 2.557 0 50 EFAA CCc1noc(C2CCC(NC[C@@H]3CCCN(C(C)=O)C3)CC2)n1 375674199 ACNJHXNBAKADLX-FHERZECASA-N 334.464 2.506 0 50 EFAA Cc1nccn1C1(C(=O)O)CCN(CCCc2ccccc2)CC1 72432588 SKUYDWOCAZKRPS-UHFFFAOYSA-N 327.428 2.700 0 50 EFAA COC[C@@]1(CNCc2c[nH]nc2C(C)(C)C)OCCc2ccccc21 377717683 DZCDPNYMKZAIRH-HXUWFJFHSA-N 343.471 2.911 0 50 EFAA Cn1cccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 77440057 VDBLCNBLVPZOET-UHFFFAOYSA-N 325.456 2.806 0 50 EFAA CNc1nc(CN2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cs1 72174012 HLRBRMLOSJQUQB-OAHLLOKOSA-N 336.505 2.654 0 50 EFAA CCS[C@@H]1CCC[C@H](NC(=O)N2CCC3(CC2)OCCO3)C1 175899580 MEJJGJSPQPJTQG-UONOGXRCSA-N 328.478 2.599 0 50 EFAA O[C@]1(Cn2ccnn2)CCCN(Cc2ccc(Cl)c(Cl)c2)C1 285484077 LWSAOHBASGKUGU-OAHLLOKOSA-N 341.242 2.612 0 50 EFAA CCCCCCCC(=O)[C@@H](CCCCCC)C(=O)NC(CO)CO 43129495 CGYVFCHCRBGGJG-QGZVFWFLSA-N 343.508 2.972 0 50 EFAA FC(F)(F)c1cc(N2CCCC[C@@H]2c2cc[nH]n2)n2ncnc2n1 288828360 BIHVLIAFXVBNDL-SNVBAGLBSA-N 337.309 2.598 0 50 EFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2cccnc2Cl)C1 20274793 NTQQWNAIFARSJE-AWEZNQCLSA-N 331.759 2.875 0 50 EFAA NC[C@@H](NC(=O)c1cnc(-c2ccncc2)s1)C1CCCCC1 179209179 LYBSJXMLAKKLNE-CQSZACIVSA-N 330.457 2.843 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3ccccc3)CC2)n1 426494331 GPHQKYULXBNKAJ-MRXNPFEDSA-N 339.439 2.777 0 50 EFAA Cc1cc(C(=O)N2CCOc3ccc(Cl)cc3C2)c(=O)[nH]c1C 91770154 QKLZTMFAGDSTGB-UHFFFAOYSA-N 332.787 2.680 0 50 EFAA CC(C)(C)n1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 426573020 GPHWCSDQQMIRCJ-MRXNPFEDSA-N 326.396 2.895 0 50 EFAA COc1ccc(F)c(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 91452154 WGKFREWTWAVLPR-KUHUBIRLSA-N 337.435 2.834 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCCCn1nnc2ccccc21 97773150 NEJWJUJQFQKWEN-UHFFFAOYSA-N 340.431 2.591 0 50 EFAA CCOc1ccccc1CCNC(=O)c1c2c(nn1C)CCCC2 97522461 JRQTYCMURMPWSD-UHFFFAOYSA-N 327.428 2.670 0 50 EFAA CC(C)(O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 267884423 QEFDUDCEDOBFOQ-HNNXBMFYSA-N 345.226 2.921 0 50 EFAA O=C(NC[C@@H]1CCCCC1(F)F)c1cnc(C2OCCO2)s1 295288522 AKMGAOXFPPPYBK-VIFPVBQESA-N 332.372 2.744 0 50 EFAA Cc1ccc2nc(CCCNC(=O)Nc3cnns3)[nH]c2c1C 96161156 HNRMRCSZDFKETD-UHFFFAOYSA-N 330.417 2.786 0 50 EFAA COCCOc1cccc(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 96165907 WOCJUAHRXJTDID-HNNXBMFYSA-N 347.459 2.802 0 50 EFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 95372641 QQYCFBBNSKPXLU-KRWDZBQOSA-N 332.492 2.731 0 50 EFAA CCCN1CCC(CC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)CC1 97805640 DICFRMWZFHOFCI-LJQANCHMSA-N 348.487 2.786 0 50 EFAA Cc1nccc(C2CCN(CCC(=O)NC3CCCCC3)CC2)n1 244574929 CTTPFPLSNHXYCI-UHFFFAOYSA-N 330.476 2.803 0 50 EFAA CCc1nn(C)cc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 296946453 PXXUKCBHAAWYFK-BONVTDFDSA-N 334.445 2.868 0 50 EFAA Cc1c(N(C)Cc2ccoc2)nn2c(C(F)(F)F)nnc2c1C 434952675 YTSLVQBMKSGXFV-UHFFFAOYSA-N 325.294 2.989 0 50 EFAA O=C(NC1CCN(Cc2nnc(-c3ccccc3)s2)CC1)C1CC1 184187371 IEVLSAIFKHTPAR-UHFFFAOYSA-N 342.468 2.696 0 50 EFAA CN1C[C@@H](C(=O)NCCc2cccc3[nH]ccc23)[C@H](C(F)(F)F)C1 299742428 HXJKEEGKMLSDEE-ZIAGYGMSSA-N 339.361 2.567 0 50 EFAA CC(C)Cn1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c2ccccc21 299749870 LXAPJTRLMMEJKA-CQSZACIVSA-N 344.411 2.613 0 50 EFAA C[C@@]12C3=C(CCCC3)[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253587965 ARABCTRWRNZYMF-IKVWTGGYSA-N 347.418 2.973 0 50 EFAA COC(=O)c1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 184755454 CZQOFOXFZFTXLR-NSCUHMNNSA-N 344.390 2.554 0 50 EFAA Cc1cc(NC(=O)CN2CCCN(C(=O)C3CC3)CC2)ccc1Cl 252496001 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2.613 0 50 EFAA O=C(NC1CC(Cn2ccnc2)C1)c1ccc(C(F)(F)F)c(O)c1 1875297338 MDOAGIZHCXPRFU-UHFFFAOYSA-N 339.317 2.816 0 50 EFAA CCc1cnc(O)c(C(=O)N[C@@H](C)[C@H](O)c2cccc(Cl)c2)c1 1875267791 NZZWZEARKJISCB-BONVTDFDSA-N 334.803 2.855 0 50 EFAA Cc1ccc(NC(=O)c2ccc(CC(=O)O)cc2)c(CN(C)C)c1 1875270851 PWZUHMHIZCCFLT-UHFFFAOYSA-N 326.396 2.936 0 50 EFAA Cn1c(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc2sccc21 1875295026 BSPBCNIUCOKRRM-ZDUSSCGKSA-N 343.456 2.916 0 50 EFAA O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](O)C2(CCC2)C1 1875303714 KMPBFTAVKDVTJX-CHWSQXEVSA-N 329.318 2.678 0 50 EFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)/C=C/c1cnc(N(C)C)nc1 952972639 PJFBFLAFUGUWGX-LVDDQXARSA-N 340.402 2.841 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ncsc2C2CC2)ccc1C(=O)O 882772598 CMUFMGKWIYQMKA-UHFFFAOYSA-N 338.410 2.828 0 50 EFAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccccn2)no1 886593609 VRAAYYANGRNLLS-CQSZACIVSA-N 328.416 2.539 0 50 EFAA COCC(C)(C)CC(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 887992771 REGGLSSKHAOFKR-LIRRHRJNSA-N 347.459 2.890 0 50 EFAA CN(CCOc1ccccc1F)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888076613 ZOKPJCXVGXLKSB-PBHICJAKSA-N 347.390 2.554 0 50 EFAA CCN(CC)c1ncc(CN2C[C@@H](OC)C[C@H]2c2ncc[nH]2)s1 1775985495 ZFZJCKIOVCPKQV-JSGCOSHPSA-N 335.477 2.674 0 50 EFAA Cn1c(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)nc2c(F)cccc21 1775958211 KSTBUKCADMZALU-LSDHHAIUSA-N 347.390 2.561 0 50 EFAA CSCc1noc(CN2C[C@@H]3CC[C@H](C2)CN3CC=C(C)C)n1 1565507806 HVQSUJGYHXFLFW-CABCVRRESA-N 336.505 2.795 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1NC(C)=O 1565527488 TVMITUMMHSNDFO-WMZOPIPTSA-N 325.412 2.612 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCCN(C(=O)C2CC2)CC1 186658366 AUQKPIQRQKNWLD-UHFFFAOYSA-N 337.423 2.766 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCC1=Cc2ccccc2OC1 275669661 VNIMRBNIYLLEJA-WMZOPIPTSA-N 325.412 2.799 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CCO1 275782430 CKZKMWHIWJNSOV-DOTOQJQBSA-N 331.391 2.528 0 50 EFAA COCCC1(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC1 275965198 NFLSCFPWJNXZBA-GOSISDBHSA-N 345.487 2.711 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CN1C1CC1 170026721 FJYHLMJVBBDHDX-TZMCWYRMSA-N 330.476 2.871 0 50 EFAA C[C@@](NCc1cncc(F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 280185961 HMQNKWSWBGQJGJ-HNNXBMFYSA-N 341.308 2.730 0 50 EFAA O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@H](N2CCCC2)C1 171452103 MZTFBHVVPOAGFP-INIZCTEOSA-N 331.847 2.991 0 50 EFAA COC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)nc3c2CCCC3)c1C 408518408 GCKPBJOUJFUUNY-UHFFFAOYSA-N 329.400 2.685 0 50 EFAA c1ccc(-c2c[nH]c(CNc3ccc(N4CCOCC4)cn3)n2)cc1 194248104 WZEFEXYUDRHVBU-UHFFFAOYSA-N 335.411 2.920 0 50 EFAA Cc1cc(NC(=O)NCCc2cccc(O)c2)n(-c2ccccn2)n1 194450599 MIMDBZXFWRFPOX-UHFFFAOYSA-N 337.383 2.646 0 50 EFAA Cc1nc2ccc(NC(=O)C[C@H](C)N3CCc4ccccc43)cn2n1 655047401 FPWBMYREFZCPOS-ZDUSSCGKSA-N 335.411 2.818 0 50 EFAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 655600466 HDYBLHYFJXKFBN-YCPHGPKFSA-N 344.798 2.651 0 50 EFAA C[C@@H](CNC(=O)N1CCC(c2cccc(F)c2F)CC1)C(=O)O 655883411 ZDGOAESLNJOYHA-JTQLQIEISA-N 326.343 2.575 0 50 EFAA 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O=C1C[C@@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 19790689 VSJHOQPEROZCOF-OAHLLOKOSA-N 332.762 2.901 0 50 EFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CCC(F)(F)F)C1)CC2 1857708265 YQLQSLXHJGGSSX-HNNXBMFYSA-N 343.349 2.640 0 50 EFAA C[S@](=O)Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1Cl 115485514 QNOVRNGZKJKDKD-HSZRJFAPSA-N 348.815 2.742 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)N1CCC(n2ccnc2)CC1 332437334 HAEHZRWAPQZPBR-UHFFFAOYSA-N 339.848 2.871 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 671549245 DLXBRGLABCEZAG-VIFPVBQESA-N 330.762 2.736 0 50 EFAA O=C(Cc1ccccc1Cl)N[C@H]1CCN(C2CCCCC2)C1=O 151326742 XLBYAGIPHQQQOT-INIZCTEOSA-N 334.847 2.932 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)c1coc(-c2ccccc2)n1 152391425 MHHWBJRZXNGMAC-OAHLLOKOSA-N 334.379 2.745 0 50 EFAA O=C(c1ocnc1C1CC1)N1CCC[C@@](CO)(c2ccccc2)C1 377850042 BUBYPFSGBWOLIC-LJQANCHMSA-N 326.396 2.718 0 50 EFAA O=C(c1nncc2ccccc12)N(C[C@H]1CCCO1)c1ccncc1 932681455 GMWTXWLAYDZAJU-MRXNPFEDSA-N 334.379 2.851 0 50 EFAA 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CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375231 LJNDXJLSFWMMLZ-RFUYNDQBSA-N 329.396 2.868 0 50 EFAA Cn1ncnc1CCNC(=O)c1ccc(-c2ccccc2Cl)o1 87435926 MVXQUIAYUCGOMO-UHFFFAOYSA-N 330.775 2.701 0 50 EFAA CC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1 82121189 HKHDGQMVKSRNBH-LJQANCHMSA-N 344.455 2.606 0 50 EFAA CCOC1(C(=O)NC[C@]2(COC)OCCc3ccccc32)CCCC1 291275053 QMOPMHKLLYKWFD-HXUWFJFHSA-N 347.455 2.567 0 50 EFAA COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)cc1 239296996 DODZACSBQUZIMD-NQYYFHDYSA-N 347.370 2.655 0 50 EFAA O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-c2cn[nH]c2)c1 96166556 POOMVHLNVAVFJC-CQSZACIVSA-N 341.436 2.719 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)N1CCN(c2nccs2)CC1 91656517 OPSGTPXCKHMELL-OAHLLOKOSA-N 327.453 2.912 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1C 97347370 YHAJIRNIOMKMIG-OAHLLOKOSA-N 346.500 2.801 0 50 EFAA COC1(CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CCC1 181520009 VUXBCDYQIYUERC-OAHLLOKOSA-N 346.427 2.873 0 50 EFAA Cc1cc(C)n(CCN(C)C(=O)[C@H](c2ccccc2C)N(C)C)n1 95382105 PKNXKBDRNRLRPK-SFHVURJKSA-N 328.460 2.570 0 50 EFAA CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1ccn(C(C)(C)C)c1)CC2 91691437 DWTOQMWWUISYJB-QAPCUYQASA-N 334.460 2.635 0 50 EFAA CCn1c(CN(C)C)nnc1C1CCN(CCc2ccccc2)CC1 96164433 NCZOQOPNEJQQKW-UHFFFAOYSA-N 341.503 2.782 0 50 EFAA CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(C)s1)CC2 91505725 LJZQRRXZCAWZOZ-UHFFFAOYSA-N 344.484 2.676 0 50 EFAA CC(=O)O[C@H]1[C@@H]2[C@H]3[C@@H]4[C@@H](C(=O)[C@@H]5CC[C@@H]2[C@H]45)[C@H]2[C@H]4CCC[C@H]4[C@@H]1[C@H]23 253489981 HAOHESPLFDLASP-NVFJCNOZSA-N 326.436 2.927 0 50 EFAA CCCCc1noc([C@H](C)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 299753967 BHZTWFDDBVDVLB-HEHGZKQESA-N 333.436 2.574 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC(C(=O)O)CC2)cc1 299752998 WKALNFYHYSTJRS-SJORKVTESA-N 331.412 2.786 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H](CCC(=O)O)C1 299746664 YYEBMOLKBODAKB-MRXNPFEDSA-N 349.475 2.802 0 50 EFAA Cc1ccnn1-c1ccccc1NC(=O)N[C@H]1CCc2[nH]ncc2C1 184541154 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Cc1cc(NC(=O)NCCn2ccnc2)cnc1N1CCCC[C@@H]1C 272645710 FKZSMPQEODOHRW-HNNXBMFYSA-N 342.447 2.787 0 50 EFAA CSC[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 275500607 ANNHSCRHTJVRAO-NVXWUHKLSA-N 335.517 2.894 0 50 EFAA CCn1c(C)cc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c1C 276236422 KICJLPCPFJQWSO-RHSMWYFYSA-N 330.432 2.508 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@@H](N(C)C)[C@H]3C)c12 408517925 PIOULGPKIKLTDK-CZUORRHYSA-N 329.444 2.660 0 50 EFAA Cc1ccc([C@H]2CS(=O)(=O)CCN2C(=O)C2=CCCCCC2)o1 408514158 MDIDBMILADNPJF-OAHLLOKOSA-N 337.441 2.777 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ncc(F)cn2)C1 280117049 AHIINGOMOWKDTM-ZWNOBZJWSA-N 327.281 2.947 0 50 EFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@](C)(CC(C)C)C(N)=O)c1 110552815 MZDYUZKTUOBOIM-PXAZEXFGSA-N 340.851 2.822 0 50 EFAA O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@@H](N2CCCC2)C1 225281066 GUTZPEUZUSDSPJ-IPMKNSEASA-N 343.471 2.644 0 50 EFAA CC(C)N1CC[C@H](N[C@H]2CCOC2=O)[C@H]1c1ccc(Cl)c(F)c1 225420322 JWWWXBFSDQMGIU-HRCADAONSA-N 340.826 2.908 0 50 EFAA C[C@H](c1nnnn1C)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 189071415 UHXFCUVRFUJBRK-RNCFNFMXSA-N 342.230 2.651 0 50 EFAA COc1ccc(-c2noc(N3CCC[C@@H]([C@@H]4CCNC4)C3)n2)cc1 643048323 PSQOZHXVFSXZRF-HUUCEWRRSA-N 328.416 2.571 0 50 EFAA COc1cc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)ccn1 646399555 RLUVODXUVRPHCO-UHFFFAOYSA-N 348.353 2.723 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CC1OCCCO1 193233128 SZPLOEXFPYEXHE-IUODEOHRSA-N 339.819 2.782 0 50 EFAA Cc1ccc(CN(CCCO)Cc2nc(C(F)(F)F)no2)cc1 1506395256 GBTWSRZHZYOHHH-UHFFFAOYSA-N 329.322 2.781 0 50 EFAA CCCN(Cc1ccccc1F)C(=O)CC[C@@H](C)N1CCN(C)CC1 1506405266 ADPFZADURSAEFT-QGZVFWFLSA-N 349.494 2.980 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CC[C@@H](O)[C@@H](CO)C2)cc1 1529189488 OMBYKLGBAJSZJA-VQIMIIECSA-N 333.472 2.622 0 50 EFAA O=C(NCCCCCO)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772814041 GEVOBQGUTNUHBS-CQSZACIVSA-N 345.468 2.589 0 50 EFAA Cc1c([C@@H](C)NC(=O)CN2CCCCCC2)cnn1-c1ccccn1 11661151 STUOJZNKWDWQGI-OAHLLOKOSA-N 341.459 2.629 0 50 EFAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1 11955088 APGGIBFMOIABNG-CQSZACIVSA-N 334.485 2.896 0 50 EFAA Cc1ccc(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)c(C)c1 16890150 CYAROWNNPORMME-NSHDSACASA-N 333.331 2.509 0 50 EFAA CC(C)n1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cn1 19334668 ZBUIFASUCHVPIF-FQEVSTJZSA-N 348.535 2.913 0 50 EFAA CCc1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1 19597543 XOYBHGRMHXZOMH-UHFFFAOYSA-N 329.396 2.830 0 50 EFAA Cc1ccc2cc(Cl)cc(C(=O)N3C[C@@H]4C(C(=O)O)[C@H]4C3)c2n1 1857530667 MOOAUCTVLUESCY-STQMWFEESA-N 330.771 2.599 0 50 EFAA Cc1ccc2ncnc(N[C@@H]3CCCN(Cc4cccnc4)C3)c2n1 1857697653 GNZJQSWPOFXHBN-MRXNPFEDSA-N 334.427 2.805 0 50 EFAA O=C(C1CCNCC1)N1CCC[C@H](COc2ccccc2Cl)C1 237925372 NSMJJUCNAFLGMQ-AWEZNQCLSA-N 336.863 2.957 0 50 EFAA COc1c(C(=O)O)cc(-c2ccc3c(n2)CCC3)c(OC)c1OC 1875242374 PCVZHHSSRJLEEN-UHFFFAOYSA-N 329.352 2.961 0 50 EFAA NS(=O)(=O)c1cccnc1NCC1(c2ccc(Cl)cc2)CC1 301275254 OSUWTSRMJHRABA-UHFFFAOYSA-N 337.832 2.526 0 50 EFAA O=C1C(Br)=C(Br)C(=O)N1Cc1ccccc1 2585380 DZYLZHRCCNTQCS-UHFFFAOYSA-N 344.990 2.557 0 50 EFAA biogenic,in-vitro O=C(CC1CCOCC1)Nc1nc2ccccc2nc1N1CCCC1 117126775 ICRAZIGEOSALQH-UHFFFAOYSA-N 340.427 2.985 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1cnn(C)c1 119218836 SBKOAGTWDDATOI-DOTOQJQBSA-N 326.444 2.510 0 50 EFAA COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C)cc2)cn1 328624141 JSPXPRNCTLSLGQ-DLBZAZTESA-N 329.400 2.554 0 50 EFAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCCO1 6744295 ATGWKDMXQNAKEY-ZDUSSCGKSA-N 327.446 2.584 0 50 EFAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1 237577838 AFDLRHGJOLCIDA-BXUZGUMPSA-N 328.343 2.937 0 50 EFAA O=C(NCc1nc2c(s1)CCCC2)[C@]1(O)CCc2ccccc2C1 339926598 PKLXABIEZINNHN-IBGZPJMESA-N 342.464 2.558 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCCc1c[nH]c3cc(F)ccc13)CC2 252477429 NOTRVFNYXCJXAG-HOTGVXAUSA-N 344.434 2.728 0 50 EFAA C[C@]1(CNC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)CCCS1 252498957 RRVAPILOMJWQJT-BFYDXBDKSA-N 338.448 2.929 0 50 EFAA CC(C)[C@]1(CO)CCN(C(=O)c2ccc(OC3CCOCC3)cc2)C1 356663308 GLULDYOJYVKMOO-HXUWFJFHSA-N 347.455 2.725 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 261745069 OKDQSBLBLPMUKU-MRVPVSSYSA-N 331.290 2.669 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc[n+]2[O-])C1 263839961 SFYCHWQPPFZHEZ-CQSZACIVSA-N 345.830 2.538 0 50 EFAA COc1cc(Br)cc(CNC(=O)CC2(O)CCCC2)c1 830421713 GBUAQOINYAODNI-UHFFFAOYSA-N 342.233 2.769 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 262741263 AKBYBBIQLMPRRF-KDOFPFPSSA-N 338.407 2.635 0 50 EFAA Cc1cc(Oc2nnnn2-c2ccc(C(N)=O)cc2)ccc1Cl 1062215 UKQLEJPDMNMSLN-UHFFFAOYSA-N 329.747 2.515 0 50 EFAA CCN1C[C@H](C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CCC1=O 2325754191 ZNZPYVOZBYTBFA-OAHLLOKOSA-N 340.427 2.686 0 50 EFAA C[C@@H]1c2nncn2CCN1C(=O)c1ccc(-c2cccc(CN)c2)cc1 2325774793 UHBDCJKENWWZGZ-CQSZACIVSA-N 347.422 2.621 0 50 EFAA C=CC(=O)Nc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)NC3)cc1 2325894319 PJSPSBAVDZNZFG-UHFFFAOYSA-N 349.390 2.626 0 50 EFAA Cc1cc2scc(CC(=O)N3CCC[C@H]3c3nn[nH]n3)c2s1 900389185 QCBXWIXMTQVDNA-JTQLQIEISA-N 333.442 2.691 0 50 EFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 210898 OWFAMJFPSSUIPM-UHFFFAOYSA-N 338.473 2.780 0 50 EFAA CCc1nc2sc3c(c2c2nnc(SCC(=O)OC)n12)CCC3 477124 YCQXMHOQLXECKH-UHFFFAOYSA-N 348.453 2.655 0 50 EFAA COC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@H](C)C2 1054978 RNKADNQRJQTQQF-JTQLQIEISA-N 338.429 2.524 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccc(F)cc2)CC1 2386684 RBVUICOGSFFJQN-AWEZNQCLSA-N 338.379 2.504 0 50 EFAA CN(c1noc(-c2ccccc2)c1C(=O)O)[C@@H]1C[C@@H]2CNCC[C@@H]2C1 2356140345 FQXBJFDBWGOFBQ-KFWWJZLASA-N 341.411 2.864 0 50 EFAA COc1ccccc1/C=C/CN1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356144395 VWPOLVRUSUNZKG-RUZLHSATSA-N 339.435 2.663 0 50 EFAA O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@]1(O)C(F)(F)F 2863611 XPJYLUNTZKILMD-OAHLLOKOSA-N 326.318 2.859 0 50 EFAA O=C(CNC1CC1)Nc1ccc(N2CCSCC2)c(Cl)c1 225505831 DNRSJZFDWMUVHL-UHFFFAOYSA-N 325.865 2.584 0 50 EFAA NC(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 115476552 NRXJJQHZLBIGGO-UHFFFAOYSA-N 326.371 2.977 0 50 EFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)NCc4cccs4)c(=O)n1c23 170624724 RQJMBPHCAJHVPQ-SNVBAGLBSA-N 340.404 2.816 0 50 EFAA COc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)ccc1O 100807452 KMDMVAOTISXADM-LCYFTJDESA-N 326.377 2.663 0 50 EFAA C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](c1ccccc1)c1ccncc1 248260348 QFXCAQCDECJONQ-KBXCAEBGSA-N 349.390 2.699 0 50 EFAA O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 20014971 KRANMRDYJRYQEW-UHFFFAOYSA-N 329.736 2.978 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccc2c(c1)OCO2 249685268 FRWOEXTXWVMZOM-IAGOWNOFSA-N 344.455 2.823 0 50 EFAA CNc1ccccc1C(=O)NC[C@@H]1CCN(Cc2cccc(O)c2)C1 67561577 FOLBDIARMWVFSE-INIZCTEOSA-N 339.439 2.686 0 50 EFAA CCNC(=O)Cc1ccc(-n2c(CCO)nc3c(C)cccc32)cc1 65495957 UQQYROSTYXBLDU-UHFFFAOYSA-N 337.423 2.547 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc2n1 67786187 KIJWZGZTWKYYGW-CYBMUJFWSA-N 336.395 2.986 0 50 EFAA C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 252498241 VFAFCKBFAURNPE-OSAQELSMSA-N 335.835 2.506 0 50 EFAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccc(F)cn1 122248826 YGZNDRUMBFCQEK-INIZCTEOSA-N 342.418 2.907 0 50 EFAA O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N1Cc2ccccc2C1 67855635 PHHNWURYIODMSY-UHFFFAOYSA-N 343.390 2.964 0 50 EFAA Cc1ccc2nc(CNCc3noc([C@H]4CCCO4)n3)[nH]c2c1C 67675743 ZUXBRBSSYWENGW-CYBMUJFWSA-N 327.388 2.704 0 50 EFAA CC(C)(C)n1ncnc1CN1CCC(OC[C@@H]2CCCCO2)CC1 253392429 FOSOFBIAIOUPMP-INIZCTEOSA-N 336.480 2.583 0 50 EFAA COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 253418273 NMDXBFHPJQJMFW-INIZCTEOSA-N 346.427 2.695 0 50 EFAA CC(C)(N)CN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72434784 GQOFUGSMANFROV-HXUWFJFHSA-N 329.488 2.629 0 50 EFAA Cc1ocnc1CNC(=O)N1CCC[C@H]1COc1ccc(F)cc1 366909171 QCFHLUNNJRHLQZ-AWEZNQCLSA-N 333.363 2.875 0 50 EFAA CCc1[nH]ccc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 367002989 LUXIJKUQMLPBME-HNNXBMFYSA-N 327.432 2.872 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C(C)C 77487756 PQGWBKLSNQUUOX-SWLSCSKDSA-N 326.799 2.712 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 173729538 MWHARHFFNJNZNE-MAUKXSAKSA-N 343.471 2.897 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 238197827 ZBNWCHOSGXONOV-OAHLLOKOSA-N 325.364 2.669 0 50 EFAA C[C@]1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCO1 72411410 LZIDQMHIGQPOMX-QGZVFWFLSA-N 331.441 2.514 0 50 EFAA OCCN(CCO)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 72457966 HIHYQDKKEYZCDP-UHFFFAOYSA-N 337.423 2.530 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 156148513 ZWMSMDMFLDDMHK-GHMZBOCLSA-N 331.243 2.958 0 50 EFAA Cc1nnc(-c2cccc(NC(=O)c3cc(N)nc(Cl)c3)c2)n1C 378217278 KIWJTXANTVBUDC-UHFFFAOYSA-N 342.790 2.673 0 50 EFAA Cc1cccc2c(CC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)O)c[nH]c12 262946241 KZGYOLCEMNNHRR-XLWVJDPXSA-N 326.396 2.731 0 50 EFAA O=C(NCCCc1ncc[nH]1)[C@@H]1CCCCN1Cc1ccccc1 219264004 NZKRMTNKMYLXLU-KRWDZBQOSA-N 326.444 2.513 0 50 EFAA CCc1ccc(CNCc2cccnc2N2CCCN(C)CC2)o1 15065038 MYZLQKMUENNNJC-UHFFFAOYSA-N 328.460 2.669 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 77287079 WOZIKSXHBBJKNJ-OAHLLOKOSA-N 338.415 2.548 0 50 EFAA Cc1nn(C)c2sc(C(=O)N[C@H](C)CC(=O)c3ccco3)cc12 158036130 AMRJHLPDZMKAQY-SECBINFHSA-N 331.397 2.928 0 50 EFAA C[C@@H](NC(=O)c1cc(Cc2ccccc2)[nH]n1)C(=O)Nc1ccccc1 339931688 XNVWLWKKRQMURM-CQSZACIVSA-N 348.406 2.758 0 50 EFAA NC(=O)c1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 72437450 WICYWXIWIHQRIP-UHFFFAOYSA-N 334.335 2.620 0 50 EFAA Cn1ncnc1[C@@H]1COCCN1Cc1csc(-c2ccsc2)n1 285024938 ZVZJSOUKPOBQTI-ZDUSSCGKSA-N 347.469 2.574 0 50 EFAA C[C@H]1OCCN(C(=O)c2ccoc2Cl)[C@@H]1c1nc(C2CC2)no1 285536720 XFGRNSNIZPBIFM-KCJUWKMLSA-N 337.763 2.796 0 50 EFAA COc1cc(C(=O)CN2CCOCC2)ccc1OCc1ccccc1 221275453 YJOFTAYAFCCSTM-UHFFFAOYSA-N 341.407 2.789 0 50 EFAA CC(C)c1nccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 426658272 HCYOCJDWVGINEV-MRXNPFEDSA-N 329.375 2.953 0 50 EFAA CCc1nnc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)s1 223671300 RQWAFHSEMWILHZ-OAHLLOKOSA-N 344.484 2.771 0 50 EFAA Cc1nc(CCN(C)C(=O)c2csc(Cc3ccccc3)n2)no1 82121946 XENDUFAOCJVKPX-UHFFFAOYSA-N 342.424 2.740 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc2c(c1)OCCO2 96140960 ZHKKGIAURYQFDJ-UHFFFAOYSA-N 341.392 2.735 0 50 EFAA CO[C@@H]1CN2c3cc(F)c(Br)cc3NC(=O)[C@@]2(C)C1 238853923 LRECPTRYJIFBLR-WPPNPWJKSA-N 329.169 2.524 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)n2C 91440104 LTRYUECFAHCROQ-NSHDSACASA-N 326.400 2.579 0 50 EFAA CSCCc1nc([C@@H](C)c2ccc(Cl)cc2)n(CCO)n1 96141243 OVTXDEMXOBMIJR-NSHDSACASA-N 325.865 2.981 0 50 EFAA Cc1nc(CNc2nc3c(s2)c(C)nn3C)nc2c1CCCC2 95520471 IQXDTAKPJHUCAC-UHFFFAOYSA-N 328.445 2.928 0 50 EFAA Cc1ncc(C(=O)NCc2cccc(OCc3ccccc3)c2)c(=O)[nH]1 96180870 SCMHOEWFKDGHLA-UHFFFAOYSA-N 349.390 2.587 0 50 EFAA O=C1OCCN1C1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95519399 XOUWXUYTUCITGV-HNNXBMFYSA-N 330.428 2.544 0 50 EFAA CCc1c(C)nn(CC(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)c1C 244605592 FBLJBAUPQAKGTN-QWQRMKEZSA-N 347.484 2.752 0 50 EFAA C[C@H]1CC[C@H](C(=O)NCC[C@H]2CN(Cc3ccncc3)CCO2)CC1 249696744 TUQSDECZLIOKMX-WDSOQIARSA-N 345.487 2.615 0 50 EFAA Cc1ccc(CNC(=O)CC(C)(C)CC(=O)O)c(O[C@@H]2CCOC2)c1 299750343 NDTOFHVSXVGREM-OAHLLOKOSA-N 349.427 2.670 0 50 EFAA Cc1cc(C(=O)O)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 534592246 SXAYDQZWPJPXEW-ZDUSSCGKSA-N 327.384 2.543 0 50 EFAA O=C(Nc1cccc2c3c(oc12)CCCC3)N1CCS(=O)(=O)CC1 299785209 QTIWMMSQASLBRN-UHFFFAOYSA-N 348.424 2.574 0 50 EFAA CCc1noc(-c2ccc(NC(=O)N[C@@H](C)c3n[nH]c(C)n3)cc2)n1 299796199 LTVYTDAGALLARI-VIFPVBQESA-N 341.375 2.608 0 50 EFAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2nc(C)n(C)n2)c1 299779294 QOYMNGXIEXZEBB-KRWDZBQOSA-N 342.443 2.822 0 50 EFAA OC[C@H](C[C@@H](O)c1ccccc1)NCC1=Cc2ccccc2OC1 269944208 PTCUKJQUTIIAIY-RBUKOAKNSA-N 325.408 2.537 0 50 EFAA C[C@H](Nc1ccc(NC(=O)c2ccccc2)cn1)C1(O)CCOCC1 1875285747 XZZHVOZYSMODSS-AWEZNQCLSA-N 341.411 2.676 0 50 EFAA Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CCOC2(CCOCC2)C1 1875285488 ORHJKMPGJUSTCO-INIZCTEOSA-N 332.444 2.837 0 50 EFAA CNC(=O)c1ccc(-c2ccc(OCC(=O)O)c(F)c2)c(Cl)c1 1875322884 LSUFHEQPTATJOM-UHFFFAOYSA-N 337.734 2.969 0 50 EFAA COC(=O)c1c(C(=O)N(C)Cc2ccc(Cl)c(C)c2)n[nH]c1C 1875311994 FTRHXYYWDMRIRR-UHFFFAOYSA-N 335.791 2.739 0 50 EFAA CCCC1(C(=O)NCc2ccc(-n3cc([C@H](C)O)nn3)cc2)CC1 1875323288 DEFQWPLGXNYYMA-ZDUSSCGKSA-N 328.416 2.517 0 50 EFAA Cc1ccc(/C=C/CC(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1 1875403616 WSERYPFMALHQNF-WUDIVZDMSA-N 339.439 2.551 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(-c2cc(C3CC3)on2)o1 886095173 NGLCLMHDZXWNNP-IAQYHMDHSA-N 341.371 2.971 0 50 EFAA CCCCNC(=O)COc1nn(C)c2nc(C)cc(C(F)(F)F)c12 888096040 HZGLMRXHJYFBGF-UHFFFAOYSA-N 344.337 2.591 0 50 EFAA CCc1c[nH]c2ncnc(N3CCN(Cc4cccc(O)c4)CC3)c12 1333645023 BRIFHOVXRYBKOO-UHFFFAOYSA-N 337.427 2.548 0 50 EFAA Cc1ccc(C(F)(F)C(=O)N2CCC(Nc3cccnn3)CC2)cc1 272607950 YQGRPDODTXIRAB-UHFFFAOYSA-N 346.381 2.980 0 50 EFAA CSc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565516836 CQVZWAUBBMONEQ-GJZGRUSLSA-N 344.436 2.770 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3ncccc3Cl)C2)N1Cc1cscn1 1565506951 CFUVUUIOROINAK-YPMHNXCESA-N 348.859 2.819 0 50 EFAA CC1(C)[C@]2(C(=O)NCCc3nc4ccccc4[nH]3)CC[C@@]1(C)[C@H](O)C2 1565514753 HZYLVZOAYCYZEL-UIAACRFSSA-N 341.455 2.799 0 50 EFAA C[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1)c1cccs1 275680111 QBADKJNNLZYLEE-ZIAGYGMSSA-N 345.468 2.993 0 50 EFAA C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCO[C@@H]1C1CC1 680108605 BPRFVLXLJFONAE-KGLIPLIRSA-N 333.812 2.715 0 50 EFAA CCOc1nc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)co1 680359214 NOWFZFXZKJTEMQ-CQSZACIVSA-N 336.775 2.940 0 50 EFAA O=C(Cc1ccccc1CO)NCc1cccc(OCC(F)F)c1 170601890 WEYRJQWZRVTNSD-UHFFFAOYSA-N 335.350 2.682 0 50 EFAA COC(=O)c1cn(C2CCN(C[C@@H]3C(C)=CCC[C@@H]3C)CC2)nn1 170604390 LNGLKOSYOVDCPY-GOEBONIOSA-N 332.448 2.694 0 50 EFAA CC(C)(C)[C@H]1CN(CCCS(=O)(=O)c2ccccc2)CCO1 279801647 PFDQUMSQSLKDGI-MRXNPFEDSA-N 325.474 2.597 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 280956145 MUUJDWYEHNRNKD-TZMCWYRMSA-N 346.456 2.617 0 50 EFAA COC[C@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2C)[C@H]2CCO[C@H]21 1074584088 PODXNCTYBYERPZ-FAAHXZRKSA-N 343.345 2.794 0 50 EFAA CC(C)c1ccccc1S(=O)(=O)N1CCC(c2nncn2C)CC1 189001044 FNQYTLSGSJDOCI-UHFFFAOYSA-N 348.472 2.507 0 50 EFAA CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCF 408515539 LJFWGBWWGQLTDW-BXKDBHETSA-N 333.201 2.794 0 50 EFAA Cc1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(C)o1 408520028 OGOCNQOOTPGCQB-KGLIPLIRSA-N 349.431 2.620 0 50 EFAA COC(=O)c1cccc(NC2CCN(C(=O)C3(SC)CC3)CC2)c1 190771091 HRFZKVFVRXZELD-UHFFFAOYSA-N 348.468 2.772 0 50 EFAA C[C@@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CO1 225485233 WLEAYANUPHQIOY-PWSUYJOCSA-N 330.409 2.878 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)c1cnoc1-c1cnn(C)c1 194349659 NGVROFHXIORDEW-UHFFFAOYSA-N 349.394 2.837 0 50 EFAA C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C)c1cncc(F)c1 655874540 PQUTVYZRLAWMEI-TXFQPVFDSA-N 337.395 2.716 0 50 EFAA O=C1C[C@H](C(=O)Nc2cnn(Cc3ccccc3)c2)C2(CCCC2)O1 1529126852 SFXFYFRWMLCCOH-MRXNPFEDSA-N 339.395 2.746 0 50 EFAA Cc1ccsc1CN(C(=O)C[C@H]1C[C@H](C)NC(=S)N1)C1CC1 212288025 ILKJIPIZHQBGEP-NWDGAFQWSA-N 337.514 2.563 0 50 EFAA COc1cc2c3c(c1)[C@](O)([C@H]1CCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816393 CHKZAKGXQZCUST-VBKZILBWSA-N 341.407 2.794 0 50 EFAA CCOc1ccc(CCCC(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1C 1775979656 NKWREJXQOPHMQW-BCDXTJNWSA-N 331.456 2.946 0 50 EFAA COc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1cccs1)CC3 12322543 DCTPYKICQYMXQA-UHFFFAOYSA-N 348.449 2.985 0 50 EFAA COc1cc(CNC2CCCC2)ccc1OC[C@H](O)CN1CCCC1 12748856 PQXKHHHKRUABOY-GOSISDBHSA-N 348.487 2.563 0 50 EFAA O=C1OCC[C@@H]2[C@@H]1[C@@H]1CCCN1C21CCN(Cc2ccccc2)CC1 14944188 QTWXGPYSKRWGJN-CEXWTWQISA-N 340.467 2.679 0 50 EFAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 16650531 GYEWLVQPMTUFRA-MRXNPFEDSA-N 338.382 2.764 0 50 EFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(Cc3cnc[nH]3)C1)CC2 1857712817 ULVYKDPTYSMZJC-IBGZPJMESA-N 341.459 2.683 0 50 EFAA COCc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)cccc2C)n[nH]1 408473673 ALFOUBGPNJKQIK-INIZCTEOSA-N 342.443 2.864 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NC[C@@H]2CCCOC2)c1 408519440 QUFGMSHWJRVWEA-JTQLQIEISA-N 333.306 2.750 0 50 EFAA C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2ccncn2)CC1 412428916 CGNFKKQMJSWFRJ-CYBMUJFWSA-N 329.375 2.789 0 50 EFAA CCC[C@](C)(O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 119885721 MXCYYQUOOAFYFD-SFHVURJKSA-N 338.879 2.972 0 50 EFAA O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(-c2ccccc2Cl)[nH]n1 120272437 AVPMYQQPXJTXET-GFCCVEGCSA-N 344.846 2.944 0 50 EFAA COc1cccc2cc(C(=O)NCc3nc(C(=O)O)cs3)oc12 124355248 ASLDEDWLLAJKFC-UHFFFAOYSA-N 332.337 2.526 0 50 EFAA O=C(N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)[C@H]1C[C@@H]1c1ccccc1 252517847 SSUFBEWHNXIAGC-SPUZQDLCSA-N 326.440 2.744 0 50 EFAA CCOC(=O)[C@](C)(O)CN1CCC[C@@H]1c1nc2ccccc2s1 253428491 LDPQJFGTOAESDK-CXAGYDPISA-N 334.441 2.747 0 50 EFAA CC(=O)N1C[C@@H](C)CN(C(=O)CC2CCOCC2)c2ccccc21 365627888 MBOVMKRIAJQVSG-CQSZACIVSA-N 330.428 2.839 0 50 EFAA C[C@@H](c1ccsc1)N1CCN(C(=O)Cc2cccc(O)c2)CC1 158360430 YCIPGLSLJLPPRC-AWEZNQCLSA-N 330.453 2.902 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 265559229 IXMKGPHEYRFIER-CQSZACIVSA-N 328.368 2.597 0 50 EFAA CC(C)c1noc([C@]23CCC[C@H]2CN(C(=O)NCC(F)F)C3)n1 846710677 GEMLODGQTHOEST-BONVTDFDSA-N 328.363 2.521 0 50 EFAA CCc1ncc(NC(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)cn1 930492785 ILAKUDPERFCOAY-LBPRGKRZSA-N 331.445 2.900 0 50 EFAA CCc1c(NC(=O)N2CCc3c(ncn3CC)C2)cnn1CC(C)C 930555449 VQKSANPOMHRVFY-UHFFFAOYSA-N 344.463 2.908 0 50 EFAA O=C(Nc1ccc(OC(F)F)nc1)N[C@H]1c2ccccc2CC[C@H]1O 931318340 MZJBBSSGBWTKOZ-HIFRSBDPSA-N 349.337 2.853 0 50 EFAA Cc1csc([C@@H]2CN(C(=O)c3cccc4c3CCOC4)CCO2)n1 935853489 VGRULFJXZAUMSP-INIZCTEOSA-N 344.436 2.738 0 50 EFAA Nc1cncc(-c2cn(Cc3cccc(CN4CCCCC4)c3)nn2)c1 2325772859 YXLIIPRMSXCDJO-UHFFFAOYSA-N 348.454 2.957 0 50 EFAA CN1C[C@H](NC(=O)c2cnc(C(C)(C)CF)o2)Cc2ccccc21 2325781212 XVAWXKHZSAUKDQ-CYBMUJFWSA-N 331.391 2.713 0 50 EFAA O=C(NCc1cn2c(n1)CCCC2)c1c[nH]nc1-c1cccs1 2325789744 KCEFPNMADNRJKW-UHFFFAOYSA-N 327.413 2.601 0 50 EFAA CN(c1nnc(-c2ccon2)s1)[C@H]1CCN(Cc2ccccc2)C1 2325790277 BIECYADCAHMIBO-AWEZNQCLSA-N 341.440 2.904 0 50 EFAA C[S@](=O)(=NC(=O)c1cccc(C2CC(F)(F)C2)c1)[C@H]1CCNC1 2325799263 CBMZHUCZOVGDRD-LFVRLGFBSA-N 342.411 2.799 0 50 EFAA COc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1OC 372385 DAHJHDZZSWVOFZ-UHFFFAOYSA-N 342.380 2.870 0 50 EFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1nccs1 2356149771 AULOQQCBMNNHDW-SFHVURJKSA-N 342.468 2.695 0 50 EFAA CC[C@]1(C)C[C@H]([C@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 4025606 RMOMIOWOQMAUHS-GPMSIDNRSA-N 337.460 2.750 0 50 EFAA biogenic CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(Cl)cc2)c1 6680242 LDRZJYQAVGYHSN-UHFFFAOYSA-N 344.845 2.904 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cc(OC)c(OC)cc1OC 6698569 GPKJOANUVLYRPW-UHFFFAOYSA-N 330.384 2.770 0 50 EFAA COc1ccccc1CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 345599691 UAIHGHFOUVLFGI-PBHICJAKSA-N 347.361 2.850 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(-n2ccnc2)cc1 248152225 AGCNBEYELVHNIZ-IAOVAPTHSA-N 339.395 2.717 0 50 EFAA C[C@@H](CO)CN(CCn1c(=O)oc2ccccc21)Cc1ccccc1 55392925 YYNWBRFGKRHIBS-MRXNPFEDSA-N 340.423 2.725 0 50 EFAA CCOc1ccc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525182 HDONADJRTWESTL-HNNXBMFYSA-N 333.413 2.900 0 50 EFAA COC(=O)c1cc([C@@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)ccc1O 65396444 JCDSCYJMHZMWBL-NSHDSACASA-N 341.367 2.644 0 50 EFAA OCC[C@H]1CN(C2CCSCC2)CCN1CC1CCCCC1 20254715 YHSZPSVELSCOTR-SFHVURJKSA-N 326.550 2.831 0 50 EFAA COc1ccccc1-n1nc(CC(C)C)nc1-c1cnc(N)nc1C 65372493 WCBHOFSZZLQZQS-UHFFFAOYSA-N 338.415 2.822 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 20868996 QPXYUJNCTCXCQB-INIZCTEOSA-N 332.425 2.881 0 50 EFAA COCCOC1CCC(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)CC1 331863493 FZFZNTRZQFYACW-JWHDQAAXSA-N 347.455 2.543 0 50 EFAA COC(C)(C)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 252491774 LSSGQXHVQXHDMR-ZDUSSCGKSA-N 328.453 2.565 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)NCc1ccnc(-n2ccnc2)c1 252491612 LONJSVZEWHVJBP-UHFFFAOYSA-N 345.765 2.572 0 50 EFAA COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)C1 171462423 XMZTXFPKWYSIKZ-NWDGAFQWSA-N 325.792 2.519 0 50 EFAA CC[C@@H](CNC1CCN(c2ccccc2C)CC1)N1CCN(C)CC1 67866789 UWZKDDKKXYMKBN-FQEVSTJZSA-N 344.547 2.579 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2F)c(F)c1 321621757 NMOWKYPPISRJPT-UHFFFAOYSA-N 349.261 2.742 0 50 EFAA Cc1nonc1[C@@H]1CCCN1C(=O)Cn1ccnc1-c1ccccc1 65397021 HNUUORRSMBIALM-HNNXBMFYSA-N 337.383 2.605 0 50 EFAA O=C(O)[C@@H](CNC(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 324938717 XVVWJJKDZSSCDG-ZDUSSCGKSA-N 344.333 2.839 0 50 EFAA Cc1cccn2c(CNCCC(=O)NCc3cccs3)cnc12 65470408 HMKOBJAAXZLEFZ-UHFFFAOYSA-N 328.441 2.500 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)c2ccc(F)cn2)C2CCOCC2)n1 328612975 QLONUSABKMDEKR-AWEZNQCLSA-N 348.378 2.625 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 253432450 KKUCZRBXHCNMRC-GFCCVEGCSA-N 332.379 2.751 0 50 EFAA O=C1NCCN(C(=O)c2ccc3ncsc3c2)[C@@H]1c1cccs1 253432369 ZSDBBNRIZWHXAD-CQSZACIVSA-N 343.433 2.671 0 50 EFAA O=C(c1cnsn1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 253416955 XKTJAPDTVBIFDC-PELKAZGASA-N 343.330 2.505 0 50 EFAA O[C@]1(CNCCc2ccccc2Oc2ccccc2)CCCNC1 72432837 AUMQATMZBXYENX-HXUWFJFHSA-N 326.440 2.726 0 50 EFAA Cc1c(NC(=O)NC2CCN(C3CC3)CC2)cnn1-c1ccccc1 156887951 LRZZKDLWAFEHBS-UHFFFAOYSA-N 339.443 2.929 0 50 EFAA CCS[C@H]1CCCCN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)C1 373471718 CHVOMPWNXZKMMR-HOTGVXAUSA-N 341.521 2.562 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3CN)c2)cn1 237794911 QNIHCVLXSDTOBE-KRWDZBQOSA-N 325.412 2.532 0 50 EFAA C[C@H]1CN(c2ccccc2CN[C@@H](C)C(=O)OC(C)(C)C)CCO1 240321560 FAJXPMVKBGPOHN-GJZGRUSLSA-N 334.460 2.732 0 50 EFAA Cc1nnc(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)o1 175531338 KJFAUFCCLIENDK-UHFFFAOYSA-N 347.802 2.695 0 50 EFAA CC(C)N1CC[C@H](N[C@H]2CCOC2=O)[C@@H]1c1ccc(Cl)c(F)c1 241157327 JWWWXBFSDQMGIU-JYJNAYRXSA-N 340.826 2.908 0 50 EFAA CN(C)c1nc(C2CC(N)C2)cc(N(C)C/C=C/c2ccccc2)n1 222373316 DQNUJDUIZXVNFY-JXMROGBWSA-N 337.471 2.897 0 50 EFAA O[C@H](c1cc2n(n1)CCCN(CCCc1cccnc1)C2)C1CC1 223034284 BPMXHWIELURBDW-IBGZPJMESA-N 326.444 2.560 0 50 EFAA CCCc1cc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)no1 82107598 FZUJESFEVREUAR-UHFFFAOYSA-N 342.321 2.717 0 50 EFAA COc1ccc(C)cc1[C@@H](O)CN1CCO[C@@H](c2nc(C)cs2)C1 222187678 MQWLKVCONTZVPH-DOTOQJQBSA-N 348.468 2.875 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)no1 220490236 QLORSCVCUUWPBB-CRAIPNDOSA-N 344.411 2.902 0 50 EFAA O=C1CN(C(=O)CCn2c(-c3ccccc3)cc3ccccc32)CCN1 40267117 YROBEWPKKDTFRN-UHFFFAOYSA-N 347.418 2.657 0 50 EFAA O=C(c1cc2c(s1)CCOC2)N1CC[C@@](CO)(c2ccccc2)C1 291161036 JCFOQXLVMTWLGD-LJQANCHMSA-N 343.448 2.597 0 50 EFAA CC1(C)C[C@@H](O)CCN(C(=O)NCc2c[nH]nc2-c2ccccc2)C1 426562836 GGRHLKHJHYUYEM-INIZCTEOSA-N 342.443 2.769 0 50 EFAA Cc1cccc(=O)n1CCC(=O)N1CCc2ccc(F)cc2[C@@H]1C 97775879 XRWJOTPICJRURB-AWEZNQCLSA-N 328.387 2.832 0 50 EFAA CN(C)c1nc(NCc2ccccc2Cn2cccn2)ncc1F 95391274 SLZHRZWAPCUUIC-UHFFFAOYSA-N 326.379 2.539 0 50 EFAA CCc1nc2cc(NC(=O)N[C@H]3CN4CCC3CC4)ccc2n1CC 96180399 AILYKDPKNIQHRV-INIZCTEOSA-N 341.459 2.834 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(F)F)n1 95352114 ABSPQOUIXDVDAN-UHFFFAOYSA-N 333.298 2.600 0 50 EFAA CCc1nc(C)c(CNC(=O)[C@@H]2COc3c(cccc3OC)C2)s1 91745606 UZSJEHDXSOKUAH-ZDUSSCGKSA-N 346.452 2.890 0 50 EFAA CCc1cc(C(=O)NCC2(COc3ccccc3)CC2)cc(=O)[nH]1 97772703 QGVMEELRHYAGCX-UHFFFAOYSA-N 326.396 2.526 0 50 EFAA Cc1cc(C)cc(OCCN(C)c2cc([C@H]3C[C@@H](O)C3)ncn2)c1 252572234 ZAFWFPYOUYSZCL-IYBDPMFKSA-N 327.428 2.847 0 50 EFAA Nc1nc(C(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)cs1 534575329 VAPINBHSNYFQSI-JTQLQIEISA-N 336.848 2.635 0 50 EFAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)c1ccncc1Cl 828925411 SBVNJKFWRGWNMU-AWEZNQCLSA-N 345.830 2.835 0 50 EFAA Cc1ccc(C)c([C@H](NC(=O)N(C)CCN(C)C)c2cccnc2)c1 584897618 PKNWJWAOEPALCA-LJQANCHMSA-N 340.471 2.991 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)cn12 584894018 VLBQJDPZGKGSNQ-OAHLLOKOSA-N 341.411 2.525 0 50 EFAA CCOC(=O)N1CC[C@@H](NCC2(c3ccccc3)CCOCC2)C1 584902975 QIXKGMKBJNBIFL-QGZVFWFLSA-N 332.444 2.555 0 50 EFAA COc1ccc2sc(C(=O)N3CCO[C@@H](CC(=O)O)C3)c(C)c2c1 269022405 IWILJXXDBMFFSE-LBPRGKRZSA-N 349.408 2.534 0 50 EFAA Cc1ccc(N2CCC(N3CCC4(CCC(=O)N4)CC3)CC2)cc1 670440843 MBUIGYNWOFFDJG-UHFFFAOYSA-N 327.472 2.708 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H]1c1ccc(F)cc1 871983050 QFYWVWPBCWRUTC-GFCCVEGCSA-N 339.344 2.561 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)CC1 1875363318 VSPSOPJOLVMUOL-IBGZPJMESA-N 348.393 2.647 0 50 EFAA Cc1noc(C)c1NC(=O)N=c1ccn(Cc2ccc(F)cc2)[nH]1 1875340199 QCHCWBYTAPYTNB-UHFFFAOYSA-N 329.335 2.741 0 50 EFAA CC[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1cccc2cc[nH]c12 1875318318 FMBNXYODTIGPNJ-WFASDCNBSA-N 332.425 2.684 0 50 EFAA CO[C@@H]1Cc2ccc(NC(=O)c3ccc(CC(=O)O)cc3)cc2C1 1875268967 VUYFNZSCZDOING-QGZVFWFLSA-N 325.364 2.680 0 50 EFAA c1ccc(Cn2nnnc2CN2CCC[C@@H](c3ccncc3)CC2)cc1 1875281505 FALZMSSTUJGCLB-GOSISDBHSA-N 348.454 2.886 0 50 EFAA CCO[C@@]1(c2nnc(-c3ccncc3Br)o2)CCOC1 886082151 FACOCJBVZSDEJN-ZDUSSCGKSA-N 340.177 2.546 0 50 EFAA Cc1ccc(OCCC(=O)N2CCC[C@H]2c2ccc(N)nn2)c(C)c1 888077220 UKZFQBNFCTUINH-INIZCTEOSA-N 340.427 2.808 0 50 EFAA C[C@@H](C(=O)O)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 888096701 JCTFESHLDGVYRH-RDDDGLTNSA-N 344.230 2.574 0 50 EFAA COc1nn(C)cc1CNC(=O)N[C@H](C)c1cc2ccccc2o1 894343328 RQDYXYWAHJDQOM-LLVKDONJSA-N 328.372 2.735 0 50 EFAA Cc1cnc(CN2CCCN(C(=O)C3CCCCCC3)CC2)cn1 980801539 IODINCFXUYIMMS-UHFFFAOYSA-N 330.476 2.790 0 50 EFAA O=C(CC1(O)CCCCC1)NCc1sncc1Br 1413623668 LQDJRKQDKPRQNH-UHFFFAOYSA-N 333.251 2.607 0 50 EFAA C[C@@H](OCc1ccccc1)C(=O)N1CC[C@@H](C2CCN(C)CC2)C1 270219833 MKTDXNNJXKDILA-VQIMIIECSA-N 330.472 2.782 0 50 EFAA CC(C)N1CCC(NC(=O)Nc2ccncc2Br)CC1 271196418 UQZGSSWODWZYOZ-UHFFFAOYSA-N 341.253 2.838 0 50 EFAA CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 274124270 UADAVJRMJIFWCO-JTQLQIEISA-N 334.800 2.520 0 50 EFAA CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCF 408515541 LJFWGBWWGQLTDW-JOYOIKCWSA-N 333.201 2.794 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)Nc1c(O)n[nH]c1-c1ccccc1 408517913 PBSTXKAJBBYOBU-UHFFFAOYSA-N 346.387 2.636 0 50 EFAA O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cn1 170614395 BKPWZTPPSSAQIO-UHFFFAOYSA-N 344.172 2.677 0 50 EFAA Cc1nc(O)ccc1C(=O)N1CCN(c2cncc3ccccc23)CC1 170619116 GFHSDJNGMFBWCW-UHFFFAOYSA-N 348.406 2.606 0 50 EFAA C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(O)nc1 188058168 RITNWGFFTGBWBP-SNVBAGLBSA-N 340.301 2.890 0 50 EFAA CN(C)c1ncccc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 225390505 FUUVGTQNRHWNFE-KRWDZBQOSA-N 338.455 2.889 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 188270731 BRICZWGMDDSUGV-HIFRSBDPSA-N 333.457 2.745 0 50 EFAA Cc1ccc(C)c(-n2cnc(=O)n2[C@@H](C)c2nc(C3CC3)no2)c1 189322429 TZXVOQOIMFENPC-LBPRGKRZSA-N 325.372 2.521 0 50 EFAA CCn1c(COC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 670072754 QBMDDARBRYLJFX-HZPDHXFCSA-N 335.496 2.535 0 50 EFAA COCCCn1cnnc1CNCc1ccccc1C(F)(F)F 1506400059 SWYHBRIDQTZBSS-UHFFFAOYSA-N 328.338 2.623 0 50 EFAA CC1=CC[C@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@H]2C1 216573624 XFZOTEMLKYFMTB-JKSUJKDBSA-N 348.468 2.511 0 50 EFAA CN(C)CCOc1ccccc1CN(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704348468 NOSWWVZTLJIGPH-QGFMHUBQSA-N 332.488 2.608 0 50 EFAA Cc1nc(N2CCCC2)nc(NCCc2nc(C(=O)O)cs2)c1C 1704307987 BENVCGQXCHNWGU-UHFFFAOYSA-N 347.444 2.503 0 50 EFAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(CC3CC3)CC2)c1 12708132 JEGVHNVYXMXUHO-UHFFFAOYSA-N 344.455 2.841 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1 13668555 PZGYLPWWLRRKGJ-UHFFFAOYSA-N 346.452 2.865 0 50 EFAA O=C(O)CCS[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 16474476 GLLYIATUUXKJJO-SNVBAGLBSA-N 347.314 2.545 0 50 EFAA COc1cccc(CN2CCN(C(=O)NCc3ccccc3)CC2)c1 16579287 XRXQUKDHQWTUJK-UHFFFAOYSA-N 339.439 2.723 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(Cl)ccc1F)C2 1857691493 NLODQLYRDSZYGP-HNNXBMFYSA-N 326.755 2.536 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n1 328950844 LKQSOTQXOQUSKR-GDBMZVCRSA-N 345.447 2.624 0 50 EFAA Cc1c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cnn1C(C)C 331656359 SKQQHCJSISWEAE-WBVHZDCISA-N 331.391 2.860 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1 1875264852 IEYXFVYLVRXZDW-CQSZACIVSA-N 329.331 2.620 0 50 EFAA CC[C@@](NC(=O)c1cccc2c1OCO2)(C(=O)O)c1ccccc1 362338654 FTMVAWJWVRKZOF-SFHVURJKSA-N 327.336 2.535 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)c(C)c1 262893259 CLLMRQNGXAGCJZ-QGZVFWFLSA-N 325.364 2.794 0 50 EFAA CCOc1cc2c(cc1CNC(=O)C1(C(=O)O)CCCC1)O[C@H](C)C2 844154439 AXSTXCRQXQOKMJ-GFCCVEGCSA-N 347.411 2.670 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2CCN(c3ccccc3)C2)cc1 908602037 IRRWEDBGWFSSEU-QGZVFWFLSA-N 338.407 2.570 0 50 EFAA COc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1OC 109767 HCTNXSGHAWINLD-HNNXBMFYSA-N 343.379 2.579 0 50 EFAA COc1ccc2c(c1)OC[C@@H](NC(=O)CCc1ccc(Cl)nc1)C2 2325718208 OVMXDSKNGQJJCF-AWEZNQCLSA-N 346.814 2.796 0 50 EFAA O=C(CC1CCCC1)N1CC[C@H](N=c2[nH]nc(-c3ccccc3)o2)C1 2325822627 FNOBBLRSFARRLG-INIZCTEOSA-N 340.427 2.752 0 50 EFAA C[C@]1(CNC(=O)CCF)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871630 SMEFOTWDQPZIJS-LJQANCHMSA-N 343.402 2.563 0 50 EFAA COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1O 187071 FJJFUMBHEOHXLC-WMLDXEAASA-N 338.363 2.570 0 50 EFAA biogenic O=C(O)c1ccc(CSc2nnnn2-c2ccc(F)cc2)cc1 360027 XXIHAMCWQINAKZ-UHFFFAOYSA-N 330.344 2.792 0 50 EFAA CCc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 382727 AJOCVJHHWMUFIN-UHFFFAOYSA-N 338.473 2.782 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)CCc1ccccc1 400226 XFTNLWJIKIGNSM-UHFFFAOYSA-N 342.420 2.919 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 449868 DJRDTXMJCCWIFE-HNNXBMFYSA-N 328.387 2.942 0 50 EFAA CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2C1=O 462720 SWMZORNQPRELAR-UHFFFAOYSA-N 344.754 2.914 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccco1 2225129 DAPOJQVHRRONEQ-MRXNPFEDSA-N 336.351 2.860 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]21 2356137087 FIAKLYVYKNHEKB-NSHGMRRFSA-N 344.503 2.840 0 50 EFAA Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 2868718 ZDUYNVKYDRCXDN-UHFFFAOYSA-N 333.409 2.773 0 50 EFAA O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2874539 OGQKFBLMVPJJHT-HNNXBMFYSA-N 344.436 2.726 0 50 EFAA O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)c2ccco2)CC1 6726168 DXWYWLDDFFYRBF-UHFFFAOYSA-N 335.310 2.548 0 50 EFAA Clc1ccc(-n2cc(CN3CCO[C@H]([C@H]4CCCO4)C3)cn2)cc1 246842949 RYBVRZFVCQVRFE-MSOLQXFVSA-N 347.846 2.906 0 50 EFAA Cc1cnc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)s1 134232300 ZRLFTHQTFHSWAO-UHFFFAOYSA-N 335.351 2.724 0 50 EFAA CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)C1 248558349 MGGMSIUXJVHLTI-XHSDSOJGSA-N 340.464 2.565 0 50 EFAA CC(=O)N(C)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229387733 KATCAXPTLVNUOX-IDHHARJASA-N 335.492 2.854 0 50 EFAA Cc1cnc(NCCn2c(C)cc3ccccc32)nc1-c1ncnn1C 23506842 PWSIEXDWNKAKKT-UHFFFAOYSA-N 347.426 2.956 0 50 EFAA O=C(O)[C@@H]1C[C@@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 116180033 RCMPMDCOBDJAAE-VXGBXAGGSA-N 331.290 2.908 0 50 EFAA O=C(NCc1nccn1C(F)F)Nc1ccc(Br)cn1 121678615 RIDWBNRTGBWXCC-UHFFFAOYSA-N 346.135 2.757 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)cn1 252498561 REVSZYVJRACPQP-LBPRGKRZSA-N 349.479 2.917 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1 252477870 WUBMVKLRDCKLDK-UPJWGTAASA-N 345.424 2.717 0 50 EFAA O=C(NC[C@H](O)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1 65393457 MXPBPOUZQOYAFV-SFHVURJKSA-N 338.407 2.889 0 50 EFAA Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)sc2cc(F)ccc12 331808556 WXWVQNNZHPBJMR-HNNXBMFYSA-N 341.429 2.656 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)o1 328613477 SCDCNNLLMYULKJ-PMPSAXMXSA-N 341.411 2.897 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(F)ccc2F)c1 282603748 URUBTLQQPIQVNL-QAPCUYQASA-N 347.361 2.850 0 50 EFAA CCCN1CCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 328602769 CWPKVGPYCHLROY-PXNSSMCTSA-N 328.456 2.671 0 50 EFAA CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 468095 GRMICRZGQMWTHQ-UHFFFAOYSA-N 338.363 2.711 0 50 EFAA C[C@]12CCCN1C(=O)N(C1CCN(CCc3ccccc3)CC1)C2=O 253420092 DFMSGOVMQNYEOJ-HXUWFJFHSA-N 341.455 2.510 0 50 EFAA FCCn1ncnc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 253425450 CXWPZFKTORDPEI-CYBMUJFWSA-N 349.479 2.963 0 50 EFAA CSCc1nc(CNC(=O)c2cccc(-n3cnnc3)c2)cs1 215931292 QZYCBUOXXPDZCP-UHFFFAOYSA-N 345.453 2.517 0 50 EFAA CNS(=O)(=O)c1cccc([C@@H](C)NCc2coc(C(C)C)n2)c1 253428340 JIWJDVVYERHXSU-GFCCVEGCSA-N 337.445 2.557 0 50 EFAA Cc1ncc(CN2CC[C@@H](NC(=O)c3cscn3)[C@H](C)C2)s1 253425405 IXZMLPORRTXYGG-ZWNOBZJWSA-N 336.486 2.548 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)c2ccsc2)n1 77322973 LOANTJUEWIAVGF-NSHDSACASA-N 327.431 2.780 0 50 EFAA CO[C@@H]1CCCC[C@@H]1NCc1nc(O)c2c3c(sc2n1)CCC3 361747930 PNLPGPRRYNNIAE-NWDGAFQWSA-N 333.457 2.933 0 50 EFAA CCC(CC)n1ccc(C(=O)NCc2ccc(-n3ccnc3)nc2)n1 363156476 MDLAJQNGSPZUSA-UHFFFAOYSA-N 338.415 2.755 0 50 EFAA NC(=O)c1cc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccn1 132806179 RMBYPFJDPNZLSZ-GFCCVEGCSA-N 342.468 2.900 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)cnn1-c1ccccc1F 262863052 AVBQAMIRLKNDEN-BDJLRTHQSA-N 345.374 2.645 0 50 EFAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1O 72128084 ZDWOWWMGPVRKBU-HNNXBMFYSA-N 345.830 2.835 0 50 EFAA COc1cc(F)c(NC(=O)N2CCC(N3CC=CC3)CC2)cc1F 156198828 YALGWDFAKNTVCS-UHFFFAOYSA-N 337.370 2.842 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1CN1CCc2ccccc21 368978489 CSHKKDTYRXGQAS-QGZVFWFLSA-N 338.455 2.623 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ncoc3C)CC2)OC1=O 77469964 GGXFPQWUXYPFGO-GFCCVEGCSA-N 335.404 2.599 0 50 EFAA CC(C)c1ncc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cn1 219571239 FFCOFYUWIVBLFN-YVSFHVDLSA-N 329.444 2.924 0 50 EFAA Cc1nc2ccc(C(=O)NC3(CN4CCOCC4)CCCC3)cc2o1 215441005 JJJPGLSRRPEISL-UHFFFAOYSA-N 343.427 2.511 0 50 EFAA Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1cccc(Cl)c1)CCC2 372132225 PONDFRVHGMCJDH-LBPRGKRZSA-N 339.848 2.701 0 50 EFAA COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@H](N)C1 262243460 BWXZZNHXILHRND-SZMVWBNQSA-N 346.471 2.720 0 50 EFAA Cc1ocnc1C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 373860727 VDUSPSXMAHFWCK-AWEZNQCLSA-N 325.368 2.548 0 50 EFAA CN(Cc1nccs1)[C@H]1CC12CCN(CCOCC(F)F)CC2 374850237 LASPULLNAGPMFE-ZDUSSCGKSA-N 345.459 2.711 0 50 EFAA COc1c[nH]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1=O 72138691 GCTPAIDLOBSNMR-HNNXBMFYSA-N 342.374 2.736 0 50 EFAA C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](CCC(=O)O)C1 263142034 OITVGUUZKVWULA-CVEARBPZSA-N 344.455 2.931 0 50 EFAA C[C@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1ccnc(O)c1 458128423 HXOTXSSWYARECI-LBPRGKRZSA-N 342.399 2.531 0 50 EFAA CCn1nncc1-c1nc(CCc2ccc(OC(F)F)cc2)no1 340615403 DFXJPXCDBCQFNS-UHFFFAOYSA-N 335.314 2.735 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 263273498 RWDIRWWLPMUJNA-QGZVFWFLSA-N 345.424 2.816 0 50 EFAA CC(C)(Br)C(=O)N1CCN(Cc2ccccc2)CC1 41672840 LFKXNKHBZXSTEP-UHFFFAOYSA-N 325.250 2.504 0 50 EFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1cccnc1 41095683 QNLWBYRUJSPYBT-UHFFFAOYSA-N 334.441 2.866 0 50 EFAA COCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C)nc21 20605487 GMKZKHVTBBFWKU-UHFFFAOYSA-N 333.335 2.818 0 50 EFAA CC(C)COc1ccccc1-c1cncc(C(=O)N2CCOCC2)n1 426407708 UUQHVHYFEFQNTN-UHFFFAOYSA-N 341.411 2.651 0 50 EFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3C)C2)n1 222933663 ILVDKXLGKHGWBI-OAHLLOKOSA-N 343.402 2.887 0 50 EFAA O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 222698557 ASTSLFCONZTWSC-LJQANCHMSA-N 342.483 2.895 0 50 EFAA O=C(CCCn1cccc1)Nc1ccc(N2CCC(O)CC2)cc1 162108955 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2.982 0 50 EFAA CC[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1cc(C)ccn1 299765100 VKOJVIWVCIZCOK-QGZVFWFLSA-N 339.439 2.852 0 50 EFAA O=C(CCCc1cccs1)NC[C@@H]1CC(=O)N(C2CCCC2)C1 828022199 KIAHYNMEJBAPCM-AWEZNQCLSA-N 334.485 2.978 0 50 EFAA CC(C)(O)Cn1nc(Cc2cccnc2)nc1CCC(F)(F)F 821508310 BFIXOKHRCWWQDI-UHFFFAOYSA-N 328.338 2.530 0 50 EFAA CN1CC[C@@H](n2cnc3cc(-c4ccccc4)sc3c2=O)C1=O 584898692 PTVXXWNGOMHUGL-CYBMUJFWSA-N 325.393 2.528 0 50 EFAA C[C@@H](CCc1ncnn1Cc1ccccc1Cl)N1CCN(C)CC1 670454886 YYDUTCOIUCYMDY-HNNXBMFYSA-N 347.894 2.548 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 918758831 LZWJJRXQPMAPJL-UHFFFAOYSA-N 341.411 2.585 0 50 EFAA C[C@H](CNC(=O)c1ccc(CN(C)C)o1)COCc1ccccc1 952994947 XJQBXYURUPLBOF-OAHLLOKOSA-N 330.428 2.924 0 50 EFAA Cc1ccccc1-c1nc(CNS(=O)(=O)[C@@H]2C[C@H]3CCC[C@H]32)no1 1875290685 WZQYBLXMBNDQHO-BPLDGKMQSA-N 347.440 2.653 0 50 EFAA CNc1ncccc1C(=O)N=c1cc(C2CCC(F)(F)CC2)[nH][nH]1 1875274420 MQUHHMPGFPDHKY-UHFFFAOYSA-N 335.358 2.814 0 50 EFAA COc1c(F)cccc1[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1875320969 PDRQRSJBWJTGBN-CHWSQXEVSA-N 343.402 2.678 0 50 EFAA O=C(NC1CC1)c1ccc(-c2noc([C@@H]3C[C@@H]4C[C@@H]4CO3)n2)cc1 1875306321 ADBJETCXVOWKCY-GUTXKFCHSA-N 325.368 2.726 0 50 EFAA c1ccc(Cc2nnc3n2CCN(Cc2ccnn2C2CCC2)C3)cc1 892095725 IZYVOBVJBRONOJ-UHFFFAOYSA-N 348.454 2.806 0 50 EFAA Cc1ccc(C)c(OCCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 1775961089 LOYABQIHSKZPMW-CQSZACIVSA-N 328.416 2.511 0 50 EFAA CCc1nc[nH]c1-c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 1775985113 WTEUXZCYJXBYLR-UHFFFAOYSA-N 333.392 2.926 0 50 EFAA Cc1ccc(Cc2ccccc2C(=O)N[C@H]2CCOC[C@@H]2O)cc1F 1565529416 BWBZLDMELBIBAK-OALUTQOASA-N 343.398 2.605 0 50 EFAA CC(C)(C)n1nnnc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 170596769 MLICOKIFWIBOKV-CQSZACIVSA-N 345.422 2.662 0 50 EFAA COC(=O)c1ccc([C@H](C)N2CCC[C@H](Cc3nccn3C)C2)o1 170591637 FZTPRAWANMHAEE-UONOGXRCSA-N 331.416 2.815 0 50 EFAA COC[C@@H]1CCCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 170597093 VNSSRMQPGPQNGI-GOSISDBHSA-N 330.472 2.926 0 50 EFAA CCc1nc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n[nH]1 280216988 AKKGIBRNACUWAI-MFKMUULPSA-N 340.349 2.694 0 50 EFAA O=C(Cn1ccc2ccccc2c1=O)N(CC(F)(F)F)C1CCC1 280531161 RSZJLFIBQVXMPI-UHFFFAOYSA-N 338.329 2.945 0 50 EFAA COc1cccc([C@H](C)N2CCN(C(=O)c3cc(C)no3)CC2)c1 171589254 NTKUCUQSVWPTBI-AWEZNQCLSA-N 329.400 2.511 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)Nc2ccc(SC)cc2OC)C[C@H]1C 280957254 IGWKFRCUKHHOSA-ZYHUDNBSSA-N 338.429 2.690 0 50 EFAA Cc1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)s1 171934695 PLZHYDSXJHIKIK-CVEARBPZSA-N 343.514 2.533 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3CCc4[nH]ncc4C3)c12 187968476 WSDILTWQJQEVAW-CQSZACIVSA-N 338.411 2.506 0 50 EFAA CCC(=O)N[C@H](C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 683637035 NIZFNBFOCQFKOQ-LLVKDONJSA-N 333.819 2.552 0 50 EFAA CC(C)CN1CCO[C@H](CNC(=O)Nc2ccsc2Cl)C1 189334237 UGXPFCYLYSKCBH-LLVKDONJSA-N 331.869 2.880 0 50 EFAA C[C@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@@H](C)CO 189714713 RORRRKGQSHBUGK-STQMWFEESA-N 328.412 2.534 0 50 EFAA COc1ccnc(NC2CCN(C(=O)NCC3(C(C)C)CC3)CC2)n1 190243479 INRJZILGRIZQDZ-UHFFFAOYSA-N 347.463 2.507 0 50 EFAA Cc1ccc2cccnc2c1S(=O)(=O)N1CCC[C@H]1CCC(=O)O 656162448 SAOZEOSGTRHBTD-AWEZNQCLSA-N 348.424 2.561 0 50 EFAA O=C(O)c1cccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 659797419 MBKOMNHOHFDXOF-RBUKOAKNSA-N 325.408 2.983 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCc2ncc[nH]2)c1C 1506406914 KLQRZSZBKMUEPI-UHFFFAOYSA-N 335.473 2.845 0 50 EFAA Cc1oc2c(c1C(=O)Nc1c3c(nn1C)CSC3)C(=O)CCC2 1529134312 URURHSZYFQMHHC-UHFFFAOYSA-N 331.397 2.840 0 50 EFAA CC(=O)c1cc(CN2CCCN(C(=O)c3cccs3)CC2)n(C)c1 1529190395 IGWDWMSTFOKKOE-UHFFFAOYSA-N 345.468 2.637 0 50 EFAA Cc1nc(CN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)sc1C 1529158570 FNGWGBSGFJZGCU-PKOBYXMFSA-N 346.496 2.548 0 50 EFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1cccc(Cl)c1 1704312785 AQDCSEKASXFZNB-UHFFFAOYSA-N 334.851 2.586 0 50 EFAA CCN(CCOc1cccc(C)c1C)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704329915 DLBSJSVUGUTEBQ-ZIFCJYIRSA-N 349.471 2.707 0 50 EFAA COc1ccc(NC2(C(=O)N[C@H]3CC[C@H](N)C3)CCCCC2)cc1 214834893 YNIPIKSEPFCYNE-HOCLYGCPSA-N 331.460 2.806 0 50 EFAA CCc1ccc(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1616077082 DMUQNSMIMSJIEC-PMACEKPBSA-N 338.451 2.951 0 50 EFAA CC[C@@H](Cc1ccco1)N1CCCN(C(=O)c2cccnc2)CC1 1775980777 JRWSUKJGEFFFPO-KRWDZBQOSA-N 327.428 2.844 0 50 EFAA O=C(O)c1ccccc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1 1775984324 OHXBXJUPCKFGRU-UHFFFAOYSA-N 334.335 2.606 0 50 EFAA C[C@H](NC(=O)c1ccccc1Br)c1n[nH]c(=S)n1C 5912057 FAAWDUKHKOXUJT-ZETCQYMHSA-N 341.234 2.731 0 50 EFAA CN1CCC(N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)CC1 12705066 UAIKJJVJIHFDTH-GOSISDBHSA-N 333.520 2.799 0 50 EFAA CCc1ccccc1N1C(=O)C[C@H](NC2Cc3ccccc3C2)C1=O 18088175 STAIOPZRQMLUBS-SFHVURJKSA-N 334.419 2.638 0 50 EFAA CN1CCC(N(Cc2ccco2)C(=O)c2c(O)cccc2F)CC1 120453088 KEOCNWVYYLEEAT-UHFFFAOYSA-N 332.375 2.861 0 50 EFAA COc1ccc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F 245339053 QFJNPEUQNWGCFV-GDBMZVCRSA-N 329.437 2.622 0 50 EFAA O=C(NCc1ccc(Cn2cccn2)cc1)c1onc2c1CCCC2 665990886 RDRSTYDCDFHQNP-UHFFFAOYSA-N 336.395 2.728 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cn1 364383077 UDSNJHNLLYYDPX-OAHLLOKOSA-N 335.411 2.687 0 50 EFAA O=C(NC1(c2ccccc2)CCOCC1)c1occ2c1CCOC2 796383363 PJJWTHKQWZJKRX-UHFFFAOYSA-N 327.380 2.788 0 50 EFAA Cc1ccccc1[C@@H](O)CNC1CCN(C(=O)c2ccco2)CC1 163277153 SBKJKMKOFMWADW-KRWDZBQOSA-N 328.412 2.516 0 50 EFAA Cc1cccc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1Cl 1704298418 JNIZCJPNCYIQSG-CRAIPNDOSA-N 336.863 2.567 0 50 EFAA O=C(c1cc(C(F)F)ncn1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 825270098 HPSPZTKMIWGONM-UONOGXRCSA-N 347.365 2.652 0 50 EFAA CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]cc1Cc1ccccc1)CC2 932885904 QWDSRCBHTZFFTM-INIZCTEOSA-N 349.438 2.504 0 50 EFAA CCn1c(C)cc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)c1C 858008139 KLKQMOXOUBDTAA-DOTOQJQBSA-N 344.459 2.756 0 50 EFAA Cc1ccnc2c(NCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc12 100088174 ZYRMKHIZHFILFG-MGBSGCIJSA-N 333.391 2.720 0 50 EFAA CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cnnn1C1CC1 2325770989 HGGSTMDKAGEVFP-SFHVURJKSA-N 349.394 2.997 0 50 EFAA CC(C)(C)c1ccc(CN2C[C@@H](CC(=O)O)OC3(CCC3)C2)cn1 2325788124 NKECXDFLXVMNED-OAHLLOKOSA-N 332.444 2.977 0 50 EFAA CC(=O)O[C@H]1C=C[C@@H](OC(=O)Cc2csc(-c3cccnc3)n2)C1 2325790853 QLBPCXDXEZSEPY-LSDHHAIUSA-N 344.392 2.551 0 50 EFAA CO[C@H]1CN(C(=O)c2ccnc3[nH]c(C)nc23)CCc2ccccc21 2325791441 ZNPLIHMMCUSBCZ-INIZCTEOSA-N 336.395 2.652 0 50 EFAA Cc1noc2ncc(CN3CCC(c4cn5cccnc5n4)CC3)cc12 2325821302 DGGIBABABZEDET-UHFFFAOYSA-N 348.410 2.954 0 50 EFAA O=C(Nc1cnc(-c2ccccc2)nc1)c1ncoc1[C@@H]1CCCN1 2325856377 MXEYXMNGWSGOTD-AWEZNQCLSA-N 335.367 2.808 0 50 EFAA CCc1nc(CN2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)n[nH]1 931797710 ZETSETHUODSVEC-QGZVFWFLSA-N 342.834 2.891 0 50 EFAA COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)O 7778 XOKVHFNTYHPEHN-UHFFFAOYSA-N 348.307 2.692 0 50 EFAA biogenic,in-vivo CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1 460248 GYGJMVROMPSSEY-UHFFFAOYSA-N 327.409 2.872 0 50 EFAA COc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1 471122 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COCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 247846914 NDAXTUXQTIOAIB-DLBZAZTESA-N 336.863 2.624 0 50 EFAA C[C@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)N1CCCC1 102546672 BDFIXOAMMXFXKV-CYBMUJFWSA-N 342.418 2.585 0 50 EFAA CC1(C)CC(=O)C(CCCN2C(=O)c3ccccc3C2=O)C(=O)C1 100709839 GFFASBFADPHHMA-UHFFFAOYSA-N 327.380 2.637 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099700 CNDFCAWZTVBEQG-BETUJISGSA-N 346.814 2.928 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)c2ccnn2-c2ccccc2)c2ccccc21 348285121 QTFIJGXWCVEAGH-MRXNPFEDSA-N 347.374 2.789 0 50 EFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC(O)(c2ccc(F)cc2)CC1 67955624 IBJYLCUQWCUFOP-UHFFFAOYSA-N 329.375 2.550 0 50 EFAA Cc1ccccc1-c1ccc(CN2CCC3(CC2)NCCNC3=O)cc1 67833691 DEUPHECTQYMWBW-UHFFFAOYSA-N 349.478 2.716 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cccc3c2OCC3)C[C@H]1O 65423555 KLRYZPUAWANQOD-GDBMZVCRSA-N 343.448 2.982 0 50 EFAA COC(=O)Cc1cc(C2CCN(Cc3ccncc3Cl)CC2)n[nH]1 67880251 FMAGOAFPVFFEOV-UHFFFAOYSA-N 348.834 2.553 0 50 EFAA Cc1noc([C@@H]2CCCN(CN3C(=O)OC[C@@H]3c3ccccc3)C2)n1 229317317 JKBUCFHTRVXYFL-HZPDHXFCSA-N 342.399 2.708 0 50 EFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)c(C)c1 25757921 VSSMRVPLYFWXFP-UHFFFAOYSA-N 345.395 2.584 0 50 EFAA CN(Cc1nc2ccccc2n1C)C(=O)c1scc2c1OCCO2 67982851 CBVQKGOTOVYFMP-UHFFFAOYSA-N 343.408 2.678 0 50 EFAA COc1cccc(OC)c1CC(=O)N1CCN(C)c2ccccc21 120084116 DHGJIGZAJWNDAW-UHFFFAOYSA-N 326.396 2.729 0 50 EFAA CC(C)(CO)[C@H](CNc1cc(=O)n2ccccc2n1)c1ccccc1 120774282 JJDPQTUFRHACEN-MRXNPFEDSA-N 337.423 2.909 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CCCc3ccccc3C2)s1 316684736 NEIBFRRIKHAJLE-UHFFFAOYSA-N 337.422 2.583 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2c(C)nn(C)c2Cl)c1 282242478 PZAMEGUPMPCHQZ-BBRMVZONSA-N 335.835 2.698 0 50 EFAA O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCC2(CCCC2)C1 173946372 SJDMQVLXAZOQOS-UHFFFAOYSA-N 349.431 2.966 0 50 EFAA O=C(c1cccc2cc[nH]c12)N1CCCN(Cc2cscn2)CC1 173023100 LSTBIEPOQXLARH-UHFFFAOYSA-N 340.452 2.973 0 50 EFAA Cc1cc(NCc2ccccc2CN2CCCC2=O)n2nccc2n1 72428556 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EFAA CCOc1cccc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c1 263004179 MOTLIWFWYOHHGB-AWEZNQCLSA-N 331.290 2.565 0 50 EFAA O=C([C@H]1CCCN1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 238002933 SBWAEGKHNHVXPA-HXUWFJFHSA-N 347.462 2.653 0 50 EFAA CCn1cnnc1CN(C)Cc1cc(OC)c(SC)cc1OC 215411643 PJQPEBRWCXVFQZ-UHFFFAOYSA-N 336.461 2.669 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)cc1 72423922 BKVSMAUNJRCUDT-AWEZNQCLSA-N 341.411 2.604 0 50 EFAA CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 136310264 NSNGWOAXKWOINS-LWWSYDQCSA-N 331.368 2.549 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC(O)CC3)c(C)o2)c1 71746605 ISOKRUXJKQGBOP-UHFFFAOYSA-N 332.400 2.624 0 50 EFAA O=C(c1cccnc1O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 288410668 NGHAGDUGJOMWNT-FQEVSTJZSA-N 337.423 2.525 0 50 EFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)O)c1 14963743 AOOPLNHLDNCFLY-MRXNPFEDSA-N 327.428 2.754 0 50 EFAA O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCS[C@@H]2CCCC[C@H]21 176236392 WCTKWUASOMXACW-GHMZBOCLSA-N 346.374 2.894 0 50 EFAA COc1ccc(-c2nc(-c3ccc(C)nn3)no2)c(OC)c1OC 82147807 XCBWSXBPRGPTTG-UHFFFAOYSA-N 328.328 2.528 0 50 EFAA O=C(CN1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccc(N2CCCC2)cc1 241144886 JTXZZRUKVADWJQ-CVEARBPZSA-N 335.398 2.812 0 50 EFAA COc1ccccc1CCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 177483685 ZJMOAHKLMVWVPZ-OAHLLOKOSA-N 325.364 2.843 0 50 EFAA O=C(CN1CCCCC1=O)Nc1c(-c2ccco2)nc2ccccn12 177631193 YFYWBMNCVNFJPY-UHFFFAOYSA-N 338.367 2.545 0 50 EFAA COc1cccc(-n2c(CN)nnc2SCc2c(C)noc2C)c1 426667164 WJNHIVBYDQPWAS-UHFFFAOYSA-N 345.428 2.632 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCC[C@H](OCC3CC3)C2)cc1 263535632 OKXPFORORCNLQC-KRWDZBQOSA-N 331.412 2.735 0 50 EFAA Cc1cc(C)n(CCNC(=O)N2CCCC[C@@H]2c2nccs2)n1 426438877 MIXNQHHVYCUJDP-CQSZACIVSA-N 333.461 2.893 0 50 EFAA CC[C@@H]1[C@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)[C@@H]2CCO[C@@H]21 220638199 BNYOLVLGAZUTAD-YDZRNGNQSA-N 342.483 2.580 0 50 EFAA CN(C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1N 45796087 STFYGVHARQZZSN-UHFFFAOYSA-N 327.384 2.812 0 50 EFAA CCCc1nc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cs1 82170580 DJBCUVNHDNEUII-UHFFFAOYSA-N 343.452 2.893 0 50 EFAA COCCN1CC2(CCC1=O)CCN(CCc1cccc(F)c1)CC2 91644151 FKXRKLVMTXLFPM-UHFFFAOYSA-N 348.462 2.719 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91830288 VECSJKUFBFFWFZ-GOSISDBHSA-N 349.862 2.543 0 50 EFAA CC[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1F 161950070 FLWLSBGCXAITIK-RISCZKNCSA-N 348.871 2.801 0 50 EFAA CCc1nnc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)s1 95375027 DLHLXXPZRYYBCY-UHFFFAOYSA-N 327.413 2.591 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)CC[C@@H](C)C2 91461614 YVQWNWYYKIOHAL-CYBMUJFWSA-N 347.484 2.895 0 50 EFAA CN(Cc1ccc(Cl)nc1)C(=O)[C@@H](c1cccnc1)N1CCCC1 95523356 LCCMUZCDFODFDG-QGZVFWFLSA-N 344.846 2.926 0 50 EFAA Ic1nn([C@H]2CCCCO2)c2cccnc12 145558076 QHHOJYBMAQHTTB-SECBINFHSA-N 329.141 2.735 0 50 EFAA COCCN(Cc1ccc(OC)cc1)c1nc2c(s1)c(C)nn2C 96148746 HVKRFKABXWLFCW-UHFFFAOYSA-N 346.456 3.000 0 50 EFAA CCS[C@@H](C)c1nc(CC(N)=O)nn1Cc1ccc(CC)cc1 96140836 RFMONINMYDUEGZ-LBPRGKRZSA-N 332.473 2.731 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C/C=C/c1ccccc1OC)C2 91364855 GCBWOYRWUPHMFG-HQYALJTLSA-N 330.472 2.751 0 50 EFAA Cc1ccn(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95357232 VBWYDLNFZCIWKR-QGZVFWFLSA-N 341.411 2.686 0 50 EFAA Cc1n[nH]c(C)c1CCNc1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 244691789 JJLKNCWYDYHRLF-HDJSIYSDSA-N 326.448 2.553 0 50 EFAA Cc1c(C(=O)N2CC(N3CCCCC3)C2)c2cc(O)ccc2n1C 243885877 ADBMTNJZPFLTRA-UHFFFAOYSA-N 327.428 2.503 0 50 EFAA CN1CCN(C(=O)CN2CCCCC[C@H]2c2cccc(F)c2)CC1 244620024 FKMHGSYVVNNIQY-SFHVURJKSA-N 333.451 2.517 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H]2CNCC[C@@H]2c2ccc(F)cc2)s1 349045697 FMVHTEHJQQVYMU-CABCVRRESA-N 346.427 2.965 0 50 EFAA C[C@]1(C(=O)O)OCC(=O)N(Cc2ccccc2)[C@]1(C)c1ccccc1 257173303 JCRPTRKYFBZJCL-WOJBJXKFSA-N 339.391 2.804 0 50 EFAA COc1cccc([C@H]2CN(C(=O)Nc3ccncc3F)CCO2)c1 184239411 IXIRHTLMYYBGNX-MRXNPFEDSA-N 331.347 2.835 0 50 EFAA O=C(NCCCC[C@@H]1CCCO1)c1cccc(-c2cc(O)ncn2)c1 299778936 PWDRVUHFJCVLKX-MRXNPFEDSA-N 341.411 2.928 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)C1 299775090 JVZVTTLBUXRORX-KRWDZBQOSA-N 327.428 2.649 0 50 EFAA COc1ccc([C@@H](C)NC(=O)NC2(C(N)=O)CCCCCC2)cc1C 824710832 BIDUPIZACNJUII-CQSZACIVSA-N 347.459 2.942 0 50 EFAA CCn1c(C)cc2cc(NC(=O)[C@H](C)N3CCN(C)CC3)ccc21 823582586 LNEUQROXVBVTSZ-HNNXBMFYSA-N 328.460 2.544 0 50 EFAA C[C@]1(C(F)F)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCOCC1 1875310141 GCMSANPTNVRHQY-OZVIIMIRSA-N 344.427 2.529 0 50 EFAA Cc1nc(=NC[C@H]2CC(C)(C)CC[C@@H]2NC(=O)c2ccoc2)s[nH]1 1875407557 COLHDVPPVUIQEG-KGLIPLIRSA-N 348.472 2.898 0 50 EFAA C[C@@H](NCc1cn2ccsc2n1)c1cc(C2CCOCC2)nn1C 1875285783 ZBENLGOMBSKYEK-GFCCVEGCSA-N 345.472 2.874 0 50 EFAA Cc1ccccc1-c1noc([C@@H](C)n2cc(C(=O)N(C)C)cn2)n1 1875290920 IQSQMDDUSCQGEC-GFCCVEGCSA-N 325.372 2.553 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2ccn3c2CCC3)[C@@H]1Oc1ccccc1 1875271622 BSXXJSCDBFDPCN-QRQLOZEOSA-N 340.423 2.789 0 50 EFAA COc1cc(C)c(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c(C)c1 1875279110 HEABPSPSHJEKKX-FQEVSTJZSA-N 333.475 2.897 0 50 EFAA CC[C@H](C)Sc1ncc(CNCCN=c2cc[nH]cc2C)cn1 952971582 OTXMACCLRUQCPY-AWEZNQCLSA-N 331.489 2.694 0 50 EFAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCCc1nnc(C)s1 952987747 JLIXHNHYXGWJRG-NSHDSACASA-N 346.456 2.804 0 50 EFAA COc1ccc(F)c2[nH]c(C(=O)N3CCOC[C@H]3CC3CC3)cc12 886469244 GDCSJLOTWQHLGC-GFCCVEGCSA-N 332.375 2.957 0 50 EFAA COc1cc(CCC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)on1 888831678 RETACUDUJGHLLX-UGSOOPFHSA-N 327.384 2.549 0 50 EFAA CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC/C=C/c1ccc(F)cc1 1775956858 JEJJNUPIRGOPQV-FPZJGVQBSA-N 342.418 2.665 0 50 EFAA Cc1ccc(-c2nc(Cl)c(CN(C)Cc3nncn3C)[nH]2)cc1 1775984852 UZCFORVDCJDRQS-UHFFFAOYSA-N 330.823 2.799 0 50 EFAA O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1cnn2ccccc12 1185029638 IEWGPTDOOZFXFI-OAHLLOKOSA-N 333.438 2.825 0 50 EFAA COc1ccc(S(=O)(=O)N(C)CCC[C@H]2CCCO2)cc1Cl 1506423967 GXURVXHUCYTYJS-LBPRGKRZSA-N 347.864 2.928 0 50 EFAA OCCc1cn(Cc2ccn(C3CCCC3)n2)nc1C(F)(F)F 272187197 LJAOAFVADJTSTD-UHFFFAOYSA-N 328.338 2.797 0 50 EFAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1ccccc1-n1ccnc1 272410595 FLGJWZRFCGCXNU-WMZOPIPTSA-N 342.443 2.565 0 50 EFAA Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C(N)=O)C(C)(C)C 170591716 KMZCHBASWGTNEZ-ZDUSSCGKSA-N 330.388 2.672 0 50 EFAA CS(=O)(=O)c1ccc(CNc2ccc(OC(F)(F)F)cn2)cc1 170598851 LUZPQPYDTVNDHL-UHFFFAOYSA-N 346.330 2.996 0 50 EFAA OC1(c2cccc(OC(F)(F)F)c2)CCN(c2cnccn2)CC1 170615816 HMDAOEFHOAWFGV-UHFFFAOYSA-N 339.317 2.863 0 50 EFAA CC1(C)CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)C[C@@H]1O 279648515 WNKARPPJUVUKJB-KGLIPLIRSA-N 344.377 2.962 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 408387249 VDUFWKODVIZFMJ-JJXSEGSLSA-N 333.432 2.884 0 50 EFAA Cc1cc([C@H](C)NC(=O)N(C)CC2(O)CCOCC2)c(C)s1 187404397 ITMKCTZBSRUDIX-LBPRGKRZSA-N 326.462 2.609 0 50 EFAA O=C1[C@@H](N2CC3(CCOCC3)[C@H]2c2ccccc2)CCN1C1CC1 411996049 GASBTSQTHQUGEG-ZWKOTPCHSA-N 326.440 2.603 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)cc1 225394677 XOKGLBCXLXQWEJ-CYBMUJFWSA-N 331.376 2.513 0 50 EFAA CC(C)c1ccc(N2CC[C@H](c3nc(C[S@@](C)=O)no3)C2=O)cc1 225596179 BBLWINVAUJTHRS-JBEBIEQOSA-N 347.440 2.592 0 50 EFAA CCS[C@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 225549236 ZYZIZNPHNYGVEY-KGLIPLIRSA-N 346.518 2.684 0 50 EFAA O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1 225501616 GGDJMGQQGBZPHS-BBRMVZONSA-N 348.397 2.591 0 50 EFAA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cncc(C)c2)c1 188620236 OVUYHQTWHNPYSV-NVXWUHKLSA-N 326.396 2.827 0 50 EFAA C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1CO 192368698 WAXLULUPBZQPOE-SFYZADRCSA-N 349.175 2.819 0 50 EFAA Cc1csc2c(N3CCS(=O)(=O)c4ccccc4C3)ncnc12 192793113 BIBLVPBEOPNQMS-UHFFFAOYSA-N 345.449 2.794 0 50 EFAA O=C(NC[C@H](c1cccs1)N1CCOCC1)c1occ2c1CCC2 671647896 WPCURIDISIYEBW-OAHLLOKOSA-N 346.452 2.633 0 50 EFAA COC[C@@H]1NC(=O)N(c2ccc3cc(Br)ccc3c2)C1=O 772012539 UXDMHDBVWCAMKN-ZDUSSCGKSA-N 349.184 2.674 0 50 EFAA O=C(c1nc2ncccn2n1)N1CCCC[C@@H]1CCc1cccs1 1506400743 GQOMPFKUMUJBTM-CYBMUJFWSA-N 341.440 2.813 0 50 EFAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2OCC(C)C)CC[C@@H]1O 1704311982 IMUGRICUYYUUDG-HHXXYDBFSA-N 349.471 2.856 0 50 EFAA O=C(C[C@@H]1CNN(c2ccccc2)C1=O)Nc1cccc(Cl)c1 1740818251 NTQKNVTZBAOIJT-GFCCVEGCSA-N 329.787 2.836 0 50 EFAA CCSC[C@H](C)N1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 1775982724 XQHCMTCDAURUKM-AWEZNQCLSA-N 348.516 2.644 0 50 EFAA COCCNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 12138417 APTQTAJTGKSBKT-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA CN(C)c1cccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c1 12319725 ZKBHZWAOGFLODX-MRXNPFEDSA-N 343.471 2.806 0 50 EFAA O=S(=O)(Cc1ccccc1F)NCCCN1CCCCCC1 13671992 DUDSMDBIGKLECV-UHFFFAOYSA-N 328.453 2.511 0 50 EFAA CCOC(=O)C1CCN(Cc2nc(Cc3ccccc3F)no2)CC1 14956637 MZNDNGZQYVEJEM-UHFFFAOYSA-N 347.390 2.575 0 50 EFAA COc1cccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)c1 16730875 YCWGPUNEIPMKKC-LFIBNONCSA-N 349.415 2.683 0 50 EFAA COCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18255839 PMJGZIRWEARIMC-KHSMEXAKSA-N 347.414 2.915 0 50 EFAA Fc1ccccc1COc1cccc(CNCCN2CCOCC2)c1 19872031 AQZZJYQARJTWAJ-UHFFFAOYSA-N 344.430 2.827 0 50 EFAA C[C@@H]1CN(C(=O)Cc2ccon2)c2cc(Br)ccc2O1 225513969 MGPYCDQKQYCKNP-SECBINFHSA-N 337.173 2.794 0 50 EFAA CCC1(CC)[C@@H](N(C)C(=O)c2n[nH]c3ccccc3c2=O)C[C@H]1OC 124170728 NKMJFXLJIUQXSV-LSDHHAIUSA-N 343.427 2.589 0 50 EFAA O=C(O)Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1 739877538 QXCZRFMMWRYHEC-OXJNMPFZSA-N 337.375 2.993 0 50 EFAA CN(C)C(=O)[C@@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 334132098 VDGVCZNQTSYOPJ-MGPQQGTHSA-N 349.862 2.706 0 50 EFAA O=C(O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)o1 238042772 DGGZOXGCNYJPCD-UHFFFAOYSA-N 342.351 2.856 0 50 EFAA Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@](C)(O)C1 252509922 YYOMMMOKFWXZGJ-NSHDSACASA-N 340.392 2.589 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@H]1COc2ccc(Cl)cc21 365179756 XQERFEYOCYQVJB-LBPRGKRZSA-N 331.759 2.808 0 50 EFAA CCc1oc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)cc1C 262937595 GLNNLCQJTMNHCL-INIZCTEOSA-N 329.352 2.641 0 50 EFAA Brc1ccc(CN2CCN(c3ncccn3)CC2)s1 19537486 JNJVQOAEMFYDPW-UHFFFAOYSA-N 339.262 2.623 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cccs3)C1)CC2 1704299512 QYYAZDWJWDYHQJ-SFHVURJKSA-N 327.453 2.896 0 50 EFAA CO[C@@H](C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1)C(C)C 909628536 KYOGXHRMJPTLGE-RRFJBIMHSA-N 339.819 2.638 0 50 EFAA CC(C)c1ccccc1C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910616334 IMPZLQKLOXFDNI-BIWSTMPVSA-N 331.412 2.952 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1 20024150 MKCLLEUTXFVXRL-LFIBNONCSA-N 342.464 2.805 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)NCc2cccc3c2OCCO3)cn1 930978029 NURRVKHCXGRSSJ-LBPRGKRZSA-N 342.399 2.947 0 50 EFAA CC(C)(O)CNC1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 496920700 AQSSOSGAKFNRSV-HESLUPGFSA-N 326.481 2.819 0 50 EFAA COc1cccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 202668 QPYXDYFTEKSINJ-KSSFIOAISA-N 333.384 2.525 0 50 EFAA biogenic Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1F 2970683 UZZMLJRWSDHJFC-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA Cc1sc2cc(C(=O)N3CC[C@@H](OCC4CC4)C3)[nH]c2c1C(=O)O 2325788410 DCRBPJUMOTVLOG-LLVKDONJSA-N 348.424 2.877 0 50 EFAA COC[C@@H]1CC[C@H](C(=O)N(C)Cc2nccn2Cc2ccccc2)C1 2325805666 AHODVGRLKZBLAZ-MSOLQXFVSA-N 341.455 2.953 0 50 EFAA C[C@@H]1CCn2nccc2N1C(=O)CCc1nc(C2CCCC2)no1 2325805779 XBKUUJUMEMUQNU-GFCCVEGCSA-N 329.404 2.682 0 50 EFAA CC1(C)C[C@H](c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)CN1 2325806045 OFSSUJOHUFOUAN-ZDUSSCGKSA-N 346.406 2.568 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136373004 AZXGDECSBDFRMU-DDHJSBNISA-N 331.368 2.549 0 50 EFAA COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(C)n2)c1 806236 IJVJZKVRQGSFJB-UHFFFAOYSA-N 331.397 2.611 0 50 EFAA COc1cc(S(=O)(=O)NCc2ccccc2)c(OC)cc1Cl 1431558 PLKVEFSHYBSDHV-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA Cn1cc(NC(=O)Cc2ccn(-c3ccccc3)n2)c(C(F)F)n1 1440258194 TXRICAFPZWWILI-UHFFFAOYSA-N 331.326 2.725 0 50 EFAA CCCOc1ccc(CNCCCN2CCOCC2)cc1OCC 4810936 KWXQSCCHEWGDDD-UHFFFAOYSA-N 336.476 2.686 0 50 EFAA CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)CC(=O)N2 4944363 KSWBNVSYNXBXGM-LBPRGKRZSA-N 345.424 2.755 0 50 EFAA Cc1ccccc1NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 4945697 CJLMISLGCZATFX-UHFFFAOYSA-N 347.421 2.729 0 50 EFAA CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(N(C)C)c1)C2 112725649 YQVRJAUAPYZXSF-UHFFFAOYSA-N 326.444 2.808 0 50 EFAA O=C1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)N1 345501308 FVCDTTRIXYTYLZ-SECBINFHSA-N 334.725 2.757 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 20737145 XTQLIKLVWAODPZ-ZDUSSCGKSA-N 330.409 2.676 0 50 EFAA COc1cccc2c1CCc1c(C(=O)NCCc3ccccn3)n[nH]c1-2 170625780 CCOBNEVFQSVQCT-UHFFFAOYSA-N 348.406 2.551 0 50 EFAA CCSCc1nc2c([nH]1)C[C@H](c1ccccc1OC)CNC2=O 65451144 PBAKRVBYUXPZJV-NSHDSACASA-N 331.441 2.741 0 50 EFAA O=C1C[C@H](c2ccc3nonc3c2)c2cnn(Cc3ccccc3)c2N1 65507055 YYZCCIAIUUFGLD-CQSZACIVSA-N 345.362 2.942 0 50 EFAA O=C(Cc1cnc2ccccc2c1)Nc1ccc(N2CCOCC2)cn1 118765696 YPKOBKZIWCXMSZ-UHFFFAOYSA-N 348.406 2.648 0 50 EFAA C[C@H]1Cc2cc(C(=O)NC[C@@H](C(=O)O)c3ccc(F)cc3)ccc2O1 851604704 DPADOLHATQRIGL-MEDUHNTESA-N 343.354 2.747 0 50 EFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnc(NC(C)C)nc2)C1 67431834 FGOYXKSNGSVPHH-AWEZNQCLSA-N 342.447 2.602 0 50 EFAA O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cn1 120279270 FJEBNRFLHGVNFP-LBPRGKRZSA-N 332.762 2.992 0 50 EFAA COc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1OC 252486896 HQCOBUNZKFVXAE-UHFFFAOYSA-N 331.460 2.845 0 50 EFAA CCCCN(Cc1sccc1C)C(=O)C[C@@H]1CN(C)CCN1C 65528766 JTHHPFVPYWVASV-MRXNPFEDSA-N 337.533 2.821 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)c(N2C[C@H](C(=O)O)CC2=O)c1 65452043 AZLGARIFGYQZJE-CYBMUJFWSA-N 330.384 2.561 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cn1 67788324 FZEJNSNDCRZASP-HNNXBMFYSA-N 349.438 2.518 0 50 EFAA O=C(O)[C@H]1c2ccsc2CCN1C(=O)N1CCc2ccccc21 321447291 GYEXSXLEFYXKNO-OAHLLOKOSA-N 328.393 2.915 0 50 EFAA COCC1(C)CCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 332227858 OWCIBCLOBADZJT-UHFFFAOYSA-N 348.468 2.980 0 50 EFAA O=S(=O)(c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 35622998 YLEXJEPWVDBYLA-JXMROGBWSA-N 342.464 2.706 0 50 EFAA CCn1cnnc1[C@@H]1CN([C@@H](C)CCc2cccc(F)c2)CCO1 328653526 WXCWZZAVTSIFLU-YOEHRIQHSA-N 332.423 2.832 0 50 EFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1)c1ccc[nH]1 253430355 QLWQCASSJNQTBP-LBPRGKRZSA-N 335.289 2.671 0 50 EFAA CN(CC[C@H]1CCCCO1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 12040692 OQSLRNGICLTXHJ-QZTJIDSGSA-N 348.418 2.931 0 50 EFAA CC(C)N(C)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cn1 364502649 MNOUPKMOTYFDDU-SFHVURJKSA-N 344.503 2.903 0 50 EFAA OC[C@@H]1[C@H]2CN(Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C[C@H]21 367776894 GTVBLRBZCPURDH-ZSHCYNCHSA-N 337.345 2.561 0 50 EFAA CC(C)c1ccc(N(C)S(=O)(=O)c2cnn3c2OCCC3)cc1 333112460 FFMZDDVVBBYDRU-UHFFFAOYSA-N 335.429 2.614 0 50 EFAA CCc1noc([C@@]2(O)CCN(Cc3ccc(OCC4CC4)cc3)C2)n1 377833038 CZVANNJVHJBHOH-LJQANCHMSA-N 343.427 2.514 0 50 EFAA c1ccc(-c2nnc(CNC3CCC4(CC3)OCCO4)s2)cc1 156726432 CEFSVJHVGLZUGK-UHFFFAOYSA-N 331.441 2.980 0 50 EFAA COc1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1O 449420185 IXEMKSLKWBJPND-APWZRJJASA-N 331.387 2.701 0 50 EFAA O=C1CC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)CN1 77439664 IEVPAMOPJLIJCG-UHFFFAOYSA-N 328.460 2.626 0 50 EFAA CN(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 374939482 ZQDPFYGOAMZIFN-SOXMVSPVSA-N 349.906 2.932 0 50 EFAA O=C(O)CN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCOCC1 238099522 HZZOCCWOZQYEOA-UHFFFAOYSA-N 346.210 2.628 0 50 EFAA Cc1ncc(C(=O)N[C@@H](C)Cc2nc(-c3ccccc3)no2)c(C)n1 378474973 OXTNCGLQCLSKAN-NSHDSACASA-N 337.383 2.504 0 50 EFAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc4c(C)ccnc4[nH]3)C2=O)cc1 129833935 NMAVGLNVHROAFB-LJQANCHMSA-N 349.394 2.542 0 50 EFAA O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H]1CC[C@@H](c2ccccc2)O1 377645033 HSQPCAFSJLQTJM-DLBZAZTESA-N 334.379 3.331 0 50 EFAA CSc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1Cl 284770276 UNRNJPODPJAHLO-VIFPVBQESA-N 327.837 2.791 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)ns1 496065218 WRHMXQOKRFRCHQ-PWSUYJOCSA-N 339.461 2.969 0 50 EFAA C[C@@H](c1ccc(-c2ccc(CC(=O)O)cn2)cc1)N1CCOCC1 215429601 DZTFFSJHBWETNI-AWEZNQCLSA-N 326.396 2.769 0 50 EFAA O=C([C@@H](F)CC1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1 241368020 MJJRKGQIRHVGLH-MSOLQXFVSA-N 340.483 2.866 0 50 EFAA Cc1cc(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)no1 241587937 OYGRUHOUPFIUDO-PKOBYXMFSA-N 346.402 2.555 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN2CCCC[C@H]2C1 246238995 UJTKJTOPQMQCJZ-HOCLYGCPSA-N 335.879 2.515 0 50 EFAA Nc1ncc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(-c2ccccc2)n1 71762384 UCTFXDWOCCSHDV-MDBPOYHNSA-N 334.423 2.844 0 50 EFAA CCCOc1ccc2c(c1)CCN(C(=O)c1cc(C)nc(NC)n1)C2 288162601 MCLGKPWEQVXHSB-UHFFFAOYSA-N 340.427 2.814 0 50 EFAA Cc1ccc(C(=O)N2CCCN(c3ccncc3C)CC2)cc1O 77406786 XHCFPCLZSUDDDK-UHFFFAOYSA-N 325.412 2.757 0 50 EFAA C[C@@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cccc1 130698531 DNKFMZVNOYADJE-INIZCTEOSA-N 329.419 2.923 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)n[nH]1 221354998 CAUNPQWCQDBPTC-INIZCTEOSA-N 336.395 2.809 0 50 EFAA CS(=O)(=O)CC1(CNC(=O)c2ccc(Cl)cc2Cl)CC1 177258926 NRRMRGDFIJDNFR-UHFFFAOYSA-N 336.240 2.548 0 50 EFAA Cc1cccc([C@@H](NC(=O)Cc2ccc(OCCN)cc2)C2CC2)n1 426737335 DTBFBYAGJQYBMB-FQEVSTJZSA-N 339.439 2.538 0 50 EFAA O=S(=O)(C[C@@H]1CCCCO1)NCc1cccc(-c2ccccn2)c1 178720751 NGADZOHYXCHQHK-KRWDZBQOSA-N 346.452 2.737 0 50 EFAA Cc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3nc(N)n[nH]3)o2)cc1 426548828 QJPFEGQPAMUFDQ-GFCCVEGCSA-N 339.399 2.765 0 50 EFAA O=C(CCc1cccnc1)N[C@H](CCn1cncn1)c1ccccc1 222782450 YSULVTYRHKUJAT-GOSISDBHSA-N 335.411 2.554 0 50 EFAA Cc1cc(-c2cccc(C(=O)N[C@H](C)c3nncn3C)c2)cc(C)n1 426538468 URUABIDHJJKJIM-CQSZACIVSA-N 335.411 2.985 0 50 EFAA O=C(CCN1CCC[C@@H](c2nccn2CC2CCC2)C1)N1CCCC1 95369078 HHABORBZWVHXNY-GOSISDBHSA-N 344.503 2.875 0 50 EFAA CCc1ncc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cn1 95371486 JTNAPSOKQHAWQH-HNNXBMFYSA-N 332.835 2.725 0 50 EFAA CSCCc1nc([C@H](C)c2ccc(Cl)cc2)n(CCO)n1 96141244 OVTXDEMXOBMIJR-LLVKDONJSA-N 325.865 2.981 0 50 EFAA Cc1cccc2[nH]c(C3CCN(c4cc(C(N)=O)ccn4)CC3)nc12 96150980 LPGFEYJJKYYYPU-UHFFFAOYSA-N 335.411 2.749 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)Nc2cnns2)n1 96152978 ABFONQWKWLUFBK-ZETCQYMHSA-N 348.354 2.520 0 50 EFAA COc1ccc(CN(C)C(=O)CCCc2cn[nH]c2)c2cccnc12 97822971 QSSBEEZNMWZWTL-UHFFFAOYSA-N 338.411 2.948 0 50 EFAA Cc1nnc(SCCCNC(=O)Cc2sc(C)nc2C)s1 97696313 KIPVIPBTOBDZNB-UHFFFAOYSA-N 342.515 2.761 0 50 EFAA COCC[C@@H]1CN(Cc2ccccc2-n2nc(C)cc2C)CCO1 240203793 JTLQFNZZIWTAGH-GOSISDBHSA-N 329.444 2.726 0 50 EFAA CC(C)n1cccc1C(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 244601792 DRVPFAVQNIUGAS-QGZVFWFLSA-N 326.444 2.858 0 50 EFAA CC(C)Cn1ncnc1CN(C)[C@H]1CCCN(c2ccccc2)C1=O 182792962 OESUNDJEVJWTLA-KRWDZBQOSA-N 341.459 2.562 0 50 EFAA CO[C@@H]1CCC[C@H](OC(=O)CN(C)C(=O)OCc2ccccc2)C1 252511120 ZUPYFUXMODQWPR-CVEARBPZSA-N 335.400 2.756 0 50 EFAA Cc1ccccc1[C@H](CN1CCOCC1)NC1C[C@@H](C)O[C@H](C)C1 183829836 VLSGXEWIJMKERW-HLIPFELVSA-N 332.488 2.914 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 299744797 PYVNRRSSBNRENR-BZSNNMDCSA-N 339.366 2.967 0 50 EFAA Cc1n[nH]c(C2CCN(C(=O)Nc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 299775692 MSYSIXGSCDFFBG-LLVKDONJSA-N 341.415 2.848 0 50 EFAA OCc1ccc2c(c1)CN(C[C@H]1CC(c3ccccc3)=NO1)CCO2 299773535 FFXYWOUZAKWRCZ-GOSISDBHSA-N 338.407 2.567 0 50 EFAA O=C(NCCN1CCCC1)Nc1ccnn1Cc1cccc(Cl)c1 299797149 PVIFEXLQDDDHBQ-UHFFFAOYSA-N 347.850 2.802 0 50 EFAA Cc1csc(SCC(=O)N[C@@H](C)c2nnc(C(C)C)o2)n1 299798990 UBWRELAJZUPWSZ-VIFPVBQESA-N 326.447 2.927 0 50 EFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](C)Cn1cncn1 825496649 SEZMVLLGHQVHPP-JTQLQIEISA-N 327.215 2.846 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)NCc2ccc3nc(C)[nH]c3c2)C1 584888484 PJIQYXCCCAFXGD-OAHLLOKOSA-N 330.432 2.972 0 50 EFAA Cc1cc(-c2ncnn2CC(F)(F)F)ccc1N1CCOCC1 670472897 IDXBHLJPVHRWHW-UHFFFAOYSA-N 326.322 2.652 0 50 EFAA Cc1ccc(CN2CCC(CNc3ccc4nncn4n3)CC2)cc1 952876013 OANYYOILLIMHEN-UHFFFAOYSA-N 336.443 2.757 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(N(C)C(C)C)n1 1875273396 UQCSWRPVFCWPHC-CQSZACIVSA-N 330.436 2.705 0 50 EFAA O=C(c1cc2c[nH]cnc-2n1)N1CCC[C@H](c2cc(O)cc(F)c2)C1 1875299170 BMAGVTXTGBQDFD-NSHDSACASA-N 340.358 2.774 0 50 EFAA O=S(=O)(Cc1cccc2nsnc12)N1CC[C@H]1c1ccccc1 1875288491 HTNBQTUOLOTANJ-HNNXBMFYSA-N 345.449 2.968 0 50 EFAA Cc1nc(-c2ccoc2)cc(N2C[C@]3(C(F)(F)F)C[C@]3(CO)C2)n1 1875392326 VUDQGKPWUVXMJV-HUUCEWRRSA-N 339.317 2.796 0 50 EFAA c1ccc(-c2noc(CCNCc3nc4c(s3)CCCC4)n2)nc1 952966081 VMHZLGDUGPKDLC-UHFFFAOYSA-N 341.440 2.799 0 50 EFAA CC(C)n1ccnc1CN1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886084527 FNZALYBEACRKAX-GOSISDBHSA-N 343.475 2.574 0 50 EFAA CCc1ccc2c(c1)CCN(C(=O)Nc1ccc(-n3nccn3)nc1)C2 1345809414 RALNZYLUFJQGMD-UHFFFAOYSA-N 348.410 2.815 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NCc1cc2ccccc2n(C)c1=O 1473995042 CLTVOGKNVATRJL-KRWDZBQOSA-N 334.423 2.804 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)ccc1F 273311887 XVVZCRYLYWVVKG-QAPCUYQASA-N 349.406 2.607 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)[C@]12CCCO2 273589792 SCQFYRFRXPTJPC-SFNKJDCFSA-N 345.443 2.655 0 50 EFAA CCCCc1ccc(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)cc1 1595796231 KWAWNRYGGGVCRX-HNAYVOBHSA-N 346.427 2.984 0 50 EFAA Nc1nccc([C@@H]2CCCN(C(=O)Nc3cccnc3Cl)C2)n1 170616518 LPEYDBBEBKDIIQ-SNVBAGLBSA-N 332.795 2.519 0 50 EFAA COc1ncnc2c1CN(C(=O)N[C@H]1C[C@H]1C1CCCCC1)CC2 170656871 WFIRCLVIZGEXRT-BBRMVZONSA-N 330.432 2.522 0 50 EFAA CN1C(=O)CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 187340584 KROWMHIHRHGJCZ-KRWDZBQOSA-N 348.406 2.800 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c(Cl)c1 187539497 WRALFOWPTIAOHI-LLVKDONJSA-N 327.833 2.802 0 50 EFAA O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 367971 AJFZQQYWAWELBA-UHFFFAOYSA-N 325.368 2.803 0 50 EFAA Cc1nccc(CNC(=O)NCc2cccc(C)c2Br)n1 188849291 QZQSMXWZSSFQCY-UHFFFAOYSA-N 349.232 2.855 0 50 EFAA CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1 188838930 LONHAFBJEDMENR-AUUYWEPGSA-N 340.423 2.675 0 50 EFAA CCS(=O)(=O)N(C)C1CCN(CC2CCC(F)(F)CC2)CC1 408520225 DWEYASMAVNQBPX-UHFFFAOYSA-N 338.464 2.558 0 50 EFAA CC(C)(C)c1ccc(SCC(=O)NC[C@@H]2CCN(C(N)=O)C2)cc1 408517676 MCPUIZOQSIWMDD-ZDUSSCGKSA-N 349.500 2.593 0 50 EFAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cnsn1 189767447 PETMGJFSHWKOFA-UHFFFAOYSA-N 337.817 2.886 0 50 EFAA COC(=O)Cc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)n1 191084499 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2.784 0 50 EFAA Cc1cccc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 12447905 FLEBUUUFBZTFEM-IBGZPJMESA-N 345.487 2.677 0 50 EFAA O=C([C@@H]1CCCO1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 14193031 YQDZNPNKHSCKRA-HNNXBMFYSA-N 343.254 2.817 0 50 EFAA OCC[C@H]1CN(Cc2cccnc2)CCN1CCCc1ccccc1 19781615 CHASQNIBHGTFIE-NRFANRHFSA-N 339.483 2.583 0 50 EFAA COc1cc(-c2cccc(-c3ccn(Cc4noc(C)n4)n3)c2)ncn1 19782085 YLOAKGIJYDCEKY-UHFFFAOYSA-N 348.366 2.755 0 50 EFAA O=C(Nc1nccs1)c1nnn(-c2ccccc2)c1-n1cccc1 206648030 QWWRHBUOGAXUQG-UHFFFAOYSA-N 336.380 2.767 0 50 EFAA COc1cc2c(cc1-c1nccn1C1CCS(=O)(=O)CC1)CCC2 1857739949 AMSWGKGWVSTOBV-UHFFFAOYSA-N 346.452 2.797 0 50 EFAA CN=c1nc(N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cc(C)[nH]1 1875251095 MAKHKDOKBQKTAA-SJORKVTESA-N 326.444 2.851 0 50 EFAA C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1cccs1)C(C)(C)CO 408523847 NYLWUKJCTJQGOY-TZMCWYRMSA-N 342.505 2.904 0 50 EFAA Cc1nc(C(=O)N[C@@]2(C)CCCOC2)nn1-c1ccccc1C(C)C 332635632 HXMQMGLVUVJKMH-IBGZPJMESA-N 342.443 2.998 0 50 EFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 333514441 UYLZFIVOTKIUTA-JCURWCKSSA-N 345.830 2.503 0 50 EFAA C[C@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@H]1COc2ccccc21 237615418 CEDHGSFTFWAHNS-SUMWQHHRSA-N 339.391 2.998 0 50 EFAA Cc1cccc(CN(CCO)C(=O)c2ncccc2Br)c1 252490458 KTYPBOIWRBUEKL-UHFFFAOYSA-N 349.228 2.787 0 50 EFAA COc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C(F)(F)F)c1 153099335 BUKBATLWKIDFRG-BNOWGMLFSA-N 344.333 2.833 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)C[C@@H](c2ccccc2)O1 263348585 OTFUYYOFZRPQAV-KSSFIOAISA-N 339.391 2.916 0 50 EFAA C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C1CCCC1 821324821 BJCVICQZEHEEKL-BPUTZDHNSA-N 326.481 2.773 0 50 EFAA C[C@H](C(=O)NCCc1cccs1)N1CCC(c2ncco2)CC1 931449652 BLKAWCDNMNKGHL-CYBMUJFWSA-N 333.457 2.663 0 50 EFAA Nc1cc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)ncn1 95373830 BGXOEOWHDVQKFN-HXUWFJFHSA-N 337.471 2.941 0 50 EFAA O=C(COc1ccccc1F)Nc1ccc(NC(=O)C2CCC2)cn1 2325781349 HRAGGJCHGDWIPT-UHFFFAOYSA-N 343.358 2.977 0 50 EFAA C[C@H](Cc1ccc(F)cc1F)C(=O)N[C@H]1COc2ccccc2[C@H]1O 2325791593 VZBNXGBJWNDFOB-DPZKZMLUSA-N 347.361 2.754 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1 2325810112 QTRROFGNUWCEIN-ORIJERBGSA-N 341.411 2.831 0 50 EFAA O=C(N[C@H]1CCCc2ccccc21)C1CC2(C1)[C@H](C(=O)O)C2(F)F 2325817149 VYYAAVSSMJNLLV-XQZPOBRMSA-N 335.350 2.926 0 50 EFAA C[C@H](NC(=O)c1cc2cc(N)ccc2[nH]1)[C@H](O)c1ccc(F)cc1 2325861426 PJXQBNHIWMRQSM-BTDLBPIBSA-N 327.359 2.741 0 50 EFAA COc1ccc(Cl)cc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O 168157 IAJHHFLUNYSBKO-UHFFFAOYSA-N 349.726 2.997 0 50 EFAA COC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)cc(C(=O)OC)c1 303612 YELVLVTUSZCBIM-UHFFFAOYSA-N 345.326 2.580 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCCC[C@H]1CCO)c1ccco1 469385 PJYNXAPBONJOFC-AWEZNQCLSA-N 342.395 2.909 0 50 EFAA COc1ccc(C)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 4756706 ZPDCOYSGUPSGHY-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA Cc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 6719998 UJDBARFWSBXZTM-UHFFFAOYSA-N 325.441 2.853 0 50 EFAA O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1CCCCC1 55069377 ILZHFXAQHDESAM-UHFFFAOYSA-N 335.879 2.911 0 50 EFAA CCc1ccc(CN(CCOC)C(=O)c2cc(C)[nH]c(=O)c2)cc1 55119828 QCACYYPIKLBLJR-UHFFFAOYSA-N 328.412 2.535 0 50 EFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101436679 XOFUUWNXQKLPDX-GJZGRUSLSA-N 326.396 2.529 0 50 EFAA COc1ccccc1N1CCC[C@@H](NC(=O)CC2CCOCC2)C1 117185803 FDHKGEFRORUIFB-MRXNPFEDSA-N 332.444 2.597 0 50 EFAA COCCNc1ncnc2sc(C(=O)N3C[C@H]4CC[C@H]3C4)c(C)c12 102344483 RBWHNPIVZOVJAL-RYUDHWBXSA-N 346.456 2.683 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 249681125 BHYBIKPJTIISPY-LSDHHAIUSA-N 334.485 2.910 0 50 EFAA CCOC(=O)N1CCC(N2CCO[C@H](CCc3ccccc3)C2)CC1 20599641 JHIBNPHNDWLDBX-LJQANCHMSA-N 346.471 2.941 0 50 EFAA Cc1nc(NC(=O)NCc2ccc(C(F)(F)F)nc2)nn1C(C)C 23582227 HJEBPSNPJPWMSU-UHFFFAOYSA-N 342.325 2.903 0 50 EFAA COc1cc(OC)cc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)c1 67434274 AXQWBSZVROZSGR-CQSZACIVSA-N 327.384 2.711 0 50 EFAA Cn1nccc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 11772784 BPKLNBIGDONBKM-HXUWFJFHSA-N 344.503 2.929 0 50 EFAA COc1ccccc1N1CCN(Cc2ccc(F)cc2C(=O)O)CC1 327478473 BIGHPSAJSMADAS-UHFFFAOYSA-N 344.386 2.855 0 50 EFAA CN(CCCN1CCCCCC1)C(=O)c1ccc(-n2cnnc2)cc1 216143885 LOIVWABCRJNPFK-UHFFFAOYSA-N 341.459 2.605 0 50 EFAA O=C(NCc1noc(-c2cccc(F)c2)n1)c1ocnc1C1CC1 377850537 FMLBISUMQCZMGM-UHFFFAOYSA-N 328.303 2.671 0 50 EFAA CN(C(=O)/C=C/c1cc(Br)ccc1F)C1CCNCC1 125315211 LQDLXPHKZOTIFQ-GORDUTHDSA-N 341.224 2.812 0 50 EFAA CNC(=O)CN1CCC(N[C@@H]2CCCc3cc(SC)ccc32)CC1 152004522 NTVFKTAXAZVWLV-GOSISDBHSA-N 347.528 2.586 0 50 EFAA Cc1csc([C@@H](NC(=O)N2CCC[C@H]2c2nncn2C)C2CC2)n1 152215787 NWESDJSLWVRQJR-STQMWFEESA-N 346.460 2.578 0 50 EFAA CCCC[C@H](C(=O)OC)N1CCC2(CC1)Nc1ccccc1NC2=O 77297738 ANUQNAACTBQFHM-MRXNPFEDSA-N 345.443 2.617 0 50 EFAA COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)cn1 362527264 ZMWZVURLKVDLMM-UHFFFAOYSA-N 330.340 2.828 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1c1nc(C2CCCCC2)ns1 333813063 GABCLVMREGTMPG-ZDUSSCGKSA-N 343.518 2.989 0 50 EFAA O=C(N1CCC[C@@H](O)CC1)C1(c2ccccc2Br)CC1 341451534 ARMVEDYPYSOKBF-GFCCVEGCSA-N 338.245 2.854 0 50 EFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCOc2ccccc21 261748377 UMFDZNPVIMMUTJ-WMZOPIPTSA-N 337.375 2.763 0 50 EFAA CSc1nsc(NC(=O)N2CCO[C@H](c3cccs3)C2)n1 156855651 KQEHFMLMHHXQJP-QMMMGPOBSA-N 342.471 2.927 0 50 EFAA Cn1ccnc1[C@@H](NCc1ccc2cn[nH]c2c1)C1CCOCC1 284796754 RYAFHPIRRVCNGJ-KRWDZBQOSA-N 325.416 2.554 0 50 EFAA O=C(COc1ccc2oc3c(c2c1)CCCC3)NC[C@@H]1CCCNC1 129858819 RLBPBDUOWHQNBC-CQSZACIVSA-N 342.439 2.806 0 50 EFAA Cc1ccn2c(F)c(C(=O)NCc3ccc4nsnc4c3)nc2c1 216288563 CKSMKRAHXJMKLG-UHFFFAOYSA-N 341.371 2.717 0 50 EFAA FC(F)(F)CCc1ccnc(N2CCO[C@@H](C(F)(F)F)C2)n1 71751979 RJEZEEVYESCGOJ-SECBINFHSA-N 329.244 2.739 0 50 EFAA Cc1nc(=O)c(Cl)c(-c2ccc([C@H](C)N3CCOCC3)cc2)[nH]1 216529542 FDSQZZIMHTUVCG-NSHDSACASA-N 333.819 2.792 0 50 EFAA Cc1csc(N2CCCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)n1 241287088 LJUBKOPLNAVNIL-IAGOWNOFSA-N 329.469 2.622 0 50 EFAA CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCC=C(c2ccccc2)C1 455322496 RVQQIPAOWGLDKM-SJLPKXTDSA-N 330.428 2.537 0 50 EFAA Cc1cccnc1N1CCN(Cc2ccnn2-c2ccccc2)CC1 72152754 FZBZERXWEDGFQP-UHFFFAOYSA-N 333.439 2.898 0 50 EFAA COCC1(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CCC1 77298013 LJIYGHWZKGEZTO-SFHVURJKSA-N 331.456 2.645 0 50 EFAA CC(C)NC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1 71753011 RARMJMHPLNIKDA-KRWDZBQOSA-N 343.402 2.937 0 50 EFAA COC(=O)c1cc2cc(NC(=O)CCC3CCNCC3)ccc2o1 263231572 NMGBIUZVUGJAEK-UHFFFAOYSA-N 330.384 2.938 0 50 EFAA O=C(O)C1(Oc2cccc(F)c2)CCN(Cc2cccnc2)CC1 82098548 ULVDNVHKMZIJOU-UHFFFAOYSA-N 330.359 2.719 0 50 EFAA Cc1ncsc1CCNC(=O)c1cc(-c2cccs2)n(C)n1 221410967 OBTTZGVWKRUBIO-UHFFFAOYSA-N 332.454 2.886 0 50 EFAA CSc1ncc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cn1 223673383 DDZHAAAZFOSQAN-UHFFFAOYSA-N 339.424 2.623 0 50 EFAA CC1(C)C[C@]1(C(=O)N1CCC(n2cnnc2)CC1)c1ccccc1F 426380259 AFHMBEWQILFNMY-LJQANCHMSA-N 342.418 2.949 0 50 EFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H](CN)C1 178529656 GOEFBEGYGKFIFC-NSHDSACASA-N 341.249 2.657 0 50 EFAA O=C(CCc1cccnc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223408839 YJFSQJOLDCKLBC-MOPGFXCFSA-N 340.423 2.505 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC(CCn2cccn2)CC1 82107988 GYHWCIACNQJXFF-UHFFFAOYSA-N 332.473 2.910 0 50 EFAA COc1ccccc1/C(C)=C/C(=O)N1CCCC[C@@H]1c1nc[nH]n1 179349052 KRQREYXHUDTOAM-HFBDAHEESA-N 326.400 2.970 0 50 EFAA Cc1ncc(C(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[nH]1 96141764 GQEAXPNFGMCJEU-UHFFFAOYSA-N 333.391 2.640 0 50 EFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(Cc1cccc(OCCO)c1)C2 91548441 BVMRPTWHRHOEMU-VQTJNVASSA-N 344.499 2.920 0 50 EFAA CN(Cc1cccc2nccn12)C1CCN(CCc2ccccn2)CC1 179900060 SWCCLXNPGMPEET-UHFFFAOYSA-N 349.482 2.868 0 50 EFAA COc1cccc(CN2C[C@H](c3nc(CSC)no3)CCC2=O)c1 91364790 WTARPJRMJDBRNE-CYBMUJFWSA-N 347.440 2.847 0 50 EFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@@H](c2ncc[nH]2)C1 95503486 VQRFVSXTNFBVMA-SNVBAGLBSA-N 347.781 2.870 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCc1ccccc1-n1ccnc1 95366341 ZOVITEIWTPXHOK-KRWDZBQOSA-N 326.444 2.753 0 50 EFAA COc1ccc(/C=C/CN2CCN(c3ccc4nccn4n3)CC2)cc1 97696292 UBJPSTZJQICNFR-NSCUHMNNSA-N 349.438 2.573 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NC(C)(C)CNc1cccc(Cl)c1 91793017 YNNFKLPKUHWPLO-OAHLLOKOSA-N 349.866 2.687 0 50 EFAA CNC(=O)c1ccc(OC)c(C[C@@H]2COc3c(cccc3OC)C2)c1 95372776 IBWXGPYEDDCMTR-CYBMUJFWSA-N 341.407 2.857 0 50 EFAA CC(=O)N1CCCN(C(=O)c2cc(C)oc2-c2ccccc2)CC1 97694635 RPRPTLFGYPLBDP-UHFFFAOYSA-N 326.396 2.949 0 50 EFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3cccnc3)[nH]c2C1 95360884 WNTYFPVQNJHZEW-ZDUSSCGKSA-N 334.379 2.550 0 50 EFAA COCc1nc(NCCc2sccc2C)cc([C@H]2C[C@H](N)C2)n1 244787831 QELQKNWCCKEFPP-JOCQHMNTSA-N 332.473 2.852 0 50 EFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C=C[C@H]3[C@H]3CC[C@@H]31)C2 248339529 SZQFFWZDORMEKT-HNSQMXSUSA-N 341.455 2.891 0 50 EFAA O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 297163035 VHXWOBINONWPNB-XVPOXYMYSA-N 339.439 2.765 0 50 EFAA O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CCCC[C@H]1c1cn[nH]c1 183467109 BJCPLBBLMNJOLN-CVEARBPZSA-N 348.447 2.722 0 50 EFAA CCOC(=O)c1sc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C 299380535 PNVCNKYSMNWLTM-VXGBXAGGSA-N 341.429 2.756 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N(C)Cc2cc(C(C)C)no2)c1=O 299784837 NACQHUJJIITLSR-UHFFFAOYSA-N 331.416 2.869 0 50 EFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc4cc[nH]c4c3)[C@H]2C1 299796813 OLKSPARDYXKRST-VDZJLULYSA-N 328.412 2.967 0 50 EFAA COc1cccc2c1OCCCN(C(=O)Nc1cn(C(C)C)nn1)C2 299765651 PIMDHKVPPUOTGP-UHFFFAOYSA-N 345.403 2.684 0 50 EFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)C(C)(C)n1cccc1 821768626 MALSVZIJGWZNIX-MRXNPFEDSA-N 325.456 2.786 0 50 EFAA CSCC[C@@H](NC(=O)c1csc(N)n1)c1nc2ccccc2[nH]1 584900420 BXWYDEHIUAZDKG-LLVKDONJSA-N 347.469 2.826 0 50 EFAA Cc1ccc(C[C@@]2(C)CCCN2C(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 871078257 JFUDPOPBBSOVKB-IEBWSBKVSA-N 347.480 2.867 0 50 EFAA COc1ccccc1[C@@]1(C)C[C@@H]1N=c1[nH]c(Cl)nc2c1COCC2 1875394977 DOYITLBFJVHXEE-MAUKXSAKSA-N 345.830 2.775 0 50 EFAA Cn1c(CNC(=O)Cc2noc3ccc(F)cc23)nc2ccccc21 1875334563 VAGLPFNUJNEXOU-UHFFFAOYSA-N 338.342 2.713 0 50 EFAA CC(C)c1c[nH]nc1CNC(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 1875301548 MLGXNUIHUNWDEF-ZWNOBZJWSA-N 348.369 2.784 0 50 EFAA CC(C)c1ccc(NC(=O)N2CCC3(CC2)CNC(=O)N3C)cc1 952995274 GXJYVWGVIZVFAK-UHFFFAOYSA-N 330.432 2.832 0 50 EFAA COc1cccc2c1OCCN(C(=O)[C@@H](O)c1ccc(F)cc1C)C2 1875278480 COCCYZFNKQDCKN-KRWDZBQOSA-N 345.370 2.597 0 50 EFAA Cc1cnc(O)n1-c1ccc(C(=O)N2CCOC[C@@H]2CC2CC2)cc1 886462231 PTTHHFRMZCGFIB-KRWDZBQOSA-N 341.411 2.527 0 50 EFAA COc1cccnc1CC(=O)N1CCC[C@H]1COc1ccc(F)cc1 888522149 BODAGLBRNGYVCO-HNNXBMFYSA-N 344.386 2.842 0 50 EFAA CC(C)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1413075490 NOFUNGMPAOTMLA-INIZCTEOSA-N 341.293 2.683 0 50 EFAA Cc1c(C(=O)N(C)CCN(C)C2CC2)csc1Br 274665146 GHOXZUSFAFJTLE-UHFFFAOYSA-N 331.279 2.985 0 50 EFAA COc1cccnc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 630836021 QQGDZUHOTAHREV-UHFFFAOYSA-N 331.803 2.706 0 50 EFAA O=C1NCCCC[C@H]1Nc1nn2cc(-c3ccc(F)cc3)nc2s1 169960663 GQPISVCKQNGQCA-GFCCVEGCSA-N 345.403 2.678 0 50 EFAA CCCCN1CCC(NC(=O)[C@@H](O)Cc2ccccc2Cl)CC1 170598969 KWOJANKTZBXVLB-KRWDZBQOSA-N 338.879 2.624 0 50 EFAA Cn1c(S)nnc1CCNC(=O)[C@@H]1CCC(C)(C)c2ccccc21 170623377 XIUXJJIGUDYRQT-CYBMUJFWSA-N 344.484 2.618 0 50 EFAA CCOc1cnc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cn1 189134389 AEOFKIGGXAUSHP-OAHLLOKOSA-N 347.802 2.742 0 50 EFAA O=C(c1ccc2c(O)ncnc2c1)N1CCCN(c2ccccc2)CC1 639563413 VWGVOCJUVWKGMT-UHFFFAOYSA-N 348.406 2.688 0 50 EFAA O=C([C@@H]1CC=CC[C@H]1c1nc(-c2ccsc2)no1)N1CCOCC1 190130202 HCUIZEYHGWOPME-ZIAGYGMSSA-N 345.424 2.707 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H](COC)Cc1ccccc1 190435125 GWICALIDTQZJTO-QYZOEREBSA-N 343.471 2.970 0 50 EFAA CC1(C)CN(C(=O)c2ccnc(C3CC3)n2)C[C@H](C(F)(F)F)O1 644817842 OPNANMFKNFTMPQ-LLVKDONJSA-N 329.322 2.536 0 50 EFAA CCOc1ccc(NC(=O)N2CCC(c3n[nH]c(CC)n3)CC2)cn1 192319254 WFPSANNTLGLASZ-UHFFFAOYSA-N 344.419 2.572 0 50 EFAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406171 XAFNMAIYVWWAOM-ZIAGYGMSSA-N 337.847 2.965 0 50 EFAA Cc1noc2ncnc(N[C@H]3CCCN(Cc4ccccc4)C3=O)c12 192515482 XCJNOVAWRTYKAM-AWEZNQCLSA-N 337.383 2.529 0 50 EFAA CC(C)c1nnc2n1C[C@H](NC(=O)CSc1ccccc1)CC2 195257511 KGVVNJXGAZWCLT-CYBMUJFWSA-N 330.457 2.625 0 50 EFAA CO[C@H](C)CS(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 195423420 AKMNMRXUZRDQMU-UKRRQHHQSA-N 339.457 2.777 0 50 EFAA O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCOCC12CCC2 195579961 ONJIRKYLOLWYJS-UHFFFAOYSA-N 349.374 2.735 0 50 EFAA CCc1ccnc(CNC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c1 664807532 VZRAUOLWBZLRJH-KZNAEPCWSA-N 325.387 2.921 0 50 EFAA CC[C@H](C)N1CCCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 1772814762 AKYUQYPTWLXWRD-HNNXBMFYSA-N 328.460 2.828 0 50 EFAA C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 12380492 PTUNWFFYRXJMLY-CQSZACIVSA-N 345.830 2.851 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)s1 12594074 HQFNPFCRSUAITI-CQSZACIVSA-N 335.473 2.671 0 50 EFAA CCC(CC)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 14960834 BULIZFQMTIVKQB-QGZVFWFLSA-N 332.492 2.841 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccsc3)C[C@@H]2CCO)n1 19790638 JQMSLRZJSFHBAF-SFHVURJKSA-N 331.485 2.520 0 50 EFAA COc1cccc2c1ccn2CC(=O)N[C@H](C(=O)O)c1ccccc1 206415843 VXHVNWKZSGZHQE-SFHVURJKSA-N 338.363 2.592 0 50 EFAA CC1(C)CN(C(=O)NCCc2cccc3[nH]ccc23)[C@H]2COC[C@H]21 1857528822 KSHYJDUOTRDMHC-WBVHZDCISA-N 327.428 2.777 0 50 EFAA COc1cnc(C)cc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 1857678168 UOWOMUYPEZWNKV-UHFFFAOYSA-N 326.400 2.642 0 50 EFAA CC(C)(C)c1ccc2oc(N3CCN(c4nc[nH]n4)CC3)nc2c1 1857680097 GMMZDIQNZIOVKL-UHFFFAOYSA-N 326.404 2.570 0 50 EFAA COc1cccnc1CN1CCN([C@H]2CCc3ccccc3C2)CC1 1857686946 KNYRMYBABSVSST-IBGZPJMESA-N 337.467 2.765 0 50 EFAA CCOC(=O)c1cc(=O)c2cc(I)ccc2o1 133137 HUJFMOAXSPSGDU-UHFFFAOYSA-N 344.104 2.574 0 50 EFAA in-vitro O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)N[C@H]1CCCC[C@H]1CO 225257365 IWVOOFYBSRCFEB-XLAORIBOSA-N 332.444 2.615 0 50 EFAA COC(=O)c1cnoc1CN1CC[C@@H](Oc2ccccc2Cl)C1 242339328 ZGXZRPBDCLWWKN-LLVKDONJSA-N 336.775 2.768 0 50 EFAA O=C1CC[C@@H]2CN(C3CCOCC3)CC[C@@H]2N1CCc1ccccc1 247813080 BUMMRVVOXPGZCP-QUCCMNQESA-N 342.483 2.721 0 50 EFAA CC[C@@H]1CN(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCO1 347624922 PPPIFQSMWSQUEV-RDBSUJKOSA-N 336.398 2.582 0 50 EFAA O=C(NCc1ncccc1O)[C@@H]1CCN(c2ccccc2Cl)C1 356113529 XEGHCXZEONCORZ-GFCCVEGCSA-N 331.803 2.583 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccccc1F 1565509154 VSQWQGUCYHDCHO-ROUUACIJSA-N 329.371 2.930 0 50 EFAA CC(C)c1cccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910613591 WRDPJDUGQBYVGE-KOHRHEQBSA-N 331.412 2.952 0 50 EFAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC2CCC(=C3CCC3)CC2)C1 828873408 GUQJEUBKMCBOIQ-LZLYRXPVSA-N 330.476 2.682 0 50 EFAA Oc1nc2cccc(N3CCN(Cc4ncccc4Cl)CC3)c2[nH]1 932510067 GFIZZBIARMHXPZ-UHFFFAOYSA-N 343.818 2.639 0 50 EFAA CCn1cnc2c1CCN([C@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 933262230 DBGVOUXXNGQCPJ-OAHLLOKOSA-N 326.444 2.905 0 50 EFAA c1ccc(-c2ncc(CNC3(c4ncccn4)CCOCC3)o2)cc1 933338151 XQRRLZOGKPNPPK-UHFFFAOYSA-N 336.395 2.927 0 50 EFAA Cn1ncc(C(=O)NCc2cncc3c2CCC3)c1Cc1ccccc1 2325781512 YPKNXNPGMUBXIK-UHFFFAOYSA-N 346.434 2.825 0 50 EFAA O=C(C1CC1)N1CC(NC(=O)C2(c3cc(F)ccc3F)CCCC2)C1 2325806347 ITQQTIIZHWKWSE-UHFFFAOYSA-N 348.393 2.514 0 50 EFAA CN(C[C@H]1CCN(C(=O)C2CC=CC2)C1)c1ncc2ccsc2n1 2325841252 LIDRLMATLKOSQZ-CYBMUJFWSA-N 342.468 2.942 0 50 EFAA O=C(Cn1nnc2ccccc21)Nc1ccnn1C[C@@H]1CC=CCC1 20209309 DWXBBJVTXJCYPV-CQSZACIVSA-N 336.399 2.623 0 50 EFAA COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1cccnc1 66360 XNXOGLFTXJHZHK-INIZCTEOSA-N 347.378 2.802 0 50 EFAA Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1 466750 DYGKDHWVWSAGOQ-UHFFFAOYSA-N 335.454 2.631 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3nc4ccc(C)cn4c3F)C[C@H]21 2356163487 FUACALWCFNAIHR-KSMMKXTCSA-N 345.418 2.795 0 50 EFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C)CC(=O)N1 4986805 CJYBNXXVVSDYIN-GOEBONIOSA-N 329.396 2.595 0 50 EFAA CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 6726921 YFKALCRMOVSSFG-UHFFFAOYSA-N 338.454 2.935 0 50 EFAA COc1cccc(CNCc2ccccc2Cl)c1OCC(N)=O 6744566 YEDZQMGKQUWVSI-UHFFFAOYSA-N 334.803 2.503 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nc(-c3ccoc3)no2)c1 225729610 CDSKYQNJQBQRQU-GDBMZVCRSA-N 341.367 2.646 0 50 EFAA CCCCN(Cc1ccco1)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O 55119359 CDDANAKMMGPBIL-UHFFFAOYSA-N 330.384 2.921 0 50 EFAA CCc1n[nH]c(SCC(=O)N(Cc2ccccn2)CC(C)C)n1 55413813 HKABROSDTZUJIM-UHFFFAOYSA-N 333.461 2.539 0 50 EFAA Cc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)NCc1cc(C(C)C)no1 102595963 QCTOJXWJYGOGOM-CQSZACIVSA-N 327.384 2.849 0 50 EFAA CCc1ccccc1OCCCN(C)C(=O)c1cnc(NC)nc1 55245154 AUHZWLUHUZWYTJ-UHFFFAOYSA-N 328.416 2.622 0 50 EFAA C[C@H](CCc1ccccc1)NC(=O)c1cccc(NCC(=O)O)c1 55393625 ZCXHNWWIAZFKER-CQSZACIVSA-N 326.396 2.934 0 50 EFAA Cc1cc(C)n(CC(=O)NCc2cccc(OC(F)(F)F)c2)n1 20865964 NJYBQPBOIZYAGO-UHFFFAOYSA-N 327.306 2.715 0 50 EFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(Cl)c1 101328684 HNMMYPUHBXOBSQ-GREKMHCPSA-N 346.814 2.700 0 50 EFAA COc1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 20029756 GHLMWFWKXUXOEO-CYBMUJFWSA-N 327.380 2.886 0 50 EFAA CCCn1ncc2c1NC(=O)C[C@H]2c1cc2cc(C)ccc2[nH]c1=O 65460051 OGGDNMZEBPJJGS-ZDUSSCGKSA-N 336.395 2.917 0 50 EFAA O=C1C[C@H](c2ccc(-n3ccnc3)cc2)c2c(nc3sccn23)CN1 65504881 FTYDCJZCUJXZQF-CQSZACIVSA-N 349.419 2.733 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)c1cc(-c3ccc(C)s3)n[nH]1)C2 67820523 QIXANULRCRIDFT-UHFFFAOYSA-N 339.424 2.955 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2csc(C(C)C)n2)c1 171433596 JAZJRTUMRSVESX-UHFFFAOYSA-N 328.401 2.803 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cn3c(C)cccc3n2)c1 282221290 OXAFWQAZYFYUPX-MJGOQNOKSA-N 337.423 2.959 0 50 EFAA CN1CC[C@@H](CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C1 125741089 QCVNZMRWVMVDJV-HNNXBMFYSA-N 340.471 2.851 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2nc(C)c(C)o2)n1C 328646847 SUSVEDXMFHRUTM-OAHLLOKOSA-N 330.432 2.717 0 50 EFAA CSc1ccc2cc(CN(C)CCn3cccn3)c(=O)[nH]c2c1 67834420 DRBCZHGMIAKMLC-UHFFFAOYSA-N 328.441 2.579 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CCC1 355447397 SRICZBPSKIORCJ-QRQLOZEOSA-N 343.467 2.805 0 50 EFAA CN1C(=O)[C@@]2(OC[C@H](COc3ccc(Cl)cc3)O2)c2ccccc21 1063991 JPIUUDDEQIMAHV-KBXCAEBGSA-N 345.782 2.964 0 50 EFAA 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CCOC(=O)c1csc(=O)n1Cc1cc(F)cc2cccnc12 128093079 AABXZEYFYXQWOV-UHFFFAOYSA-N 332.356 2.822 0 50 EFAA C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)c2ccccc2NC1=O 174178159 JMIDVOCJEBJWAT-ZDUSSCGKSA-N 348.406 2.528 0 50 EFAA O=C(COc1ccccc1O)N1CCO[C@@H](CC2CCCCC2)C1 71524098 YMTDAADFDUGWDG-INIZCTEOSA-N 333.428 2.969 0 50 EFAA COCCN1C[C@H](Cn2ccnc2-c2ccccc2SC)CC1=O 71753313 MUBKHFJVYMLALM-CQSZACIVSA-N 345.468 2.767 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 72147800 JHUOEMVPMNYBOZ-AWEZNQCLSA-N 341.455 2.782 0 50 EFAA CSc1nsc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)n1 32593628 XQAURFLSBGSVSY-UHFFFAOYSA-N 333.394 2.927 0 50 EFAA CSc1cccc(F)c1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 239882058 DAAVSPNPIKVPAR-UHFFFAOYSA-N 345.461 2.587 0 50 EFAA Cc1ccc(NC(=O)N2CCC[C@](C)(F)C2)cc1S(C)(=O)=O 455017296 CKZGTJNJBVKCCO-HNNXBMFYSA-N 328.409 2.754 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C2CCOCC2)C1 339083376 QGGOXNLFALRXGG-WOJBJXKFSA-N 342.483 2.926 0 50 EFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCO[C@H](c2cccnc2)C1 221264054 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EFAA CC[C@@]1(CNC(=O)c2oc(C(=O)O)cc2C)OCCc2ccccc21 911746423 VZWQWLDMBFAPQJ-IBGZPJMESA-N 343.379 2.894 0 50 EFAA Nc1nnc([C@H]2CCCN(C(=O)c3ccccc3-c3ccncc3)C2)o1 912493627 GGXAWEOIUZCZEU-AWEZNQCLSA-N 349.394 2.734 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnn(C2CCC2)c1 913964076 VAKLKXZOLSGIGZ-KRWDZBQOSA-N 331.441 2.882 0 50 EFAA COc1ccc([C@@H](C)NC(=O)Cn2nc(C)c3cccnc32)cc1F 929416863 ULDIMNXSLCUXFU-LLVKDONJSA-N 342.374 2.765 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)Nc1ccc(C3CC3)nn1)C2 930402230 IDAOPBHDRSIDHG-UHFFFAOYSA-N 340.431 2.896 0 50 EFAA CO[C@@H](C)c1ncc(C(=O)O[C@@H](CNC(C)=O)c2ccccc2)s1 2325745736 NMXCQHMOFKJERY-FZMZJTMJSA-N 348.424 2.885 0 50 EFAA O=C(O)[C@@H]1C[C@H](Oc2ccccc2)CN1Cc1cc(C2CC2)on1 2325780262 TXEGKDUXWGXBDA-HOTGVXAUSA-N 328.368 2.659 0 50 EFAA CCOc1ccc(-n2nc(CCOC)nc2CC[C@@H]2CCCO2)cc1 2325849116 GZNLRLGXYYJQKW-INIZCTEOSA-N 345.443 2.967 0 50 EFAA Cn1nc(C(F)(F)F)cc1CN1Cc2ccccc2[C@H](C(=O)O)C1 901624343 ZYGAINDPLLOQEL-CYBMUJFWSA-N 339.317 2.623 0 50 EFAA 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EFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1cnc(C3CC3)nc1O)CC2 426496755 AZMOFFPLLUKAOY-LLVKDONJSA-N 339.395 2.828 0 50 EFAA Cc1cccnc1CCNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 426727471 LQNUNCXYASUZIY-UHFFFAOYSA-N 329.448 2.795 0 50 EFAA O=C(CCc1ccncc1)NC1CCN(Cc2cccs2)CC1 97618872 HTBOPZCWHNSIHA-UHFFFAOYSA-N 329.469 2.857 0 50 EFAA CN(C)[C@H](C(=O)N(CCO)Cc1ccccc1F)c1ccc(F)cc1 95386881 XQOATUTZYNCYMW-SFHVURJKSA-N 348.393 2.589 0 50 EFAA CCOC1(C)CCN(C(=O)[C@@H](C)n2ccc3ccccc3c2=O)CC1 293932466 HLNGFCYYRYETTA-OAHLLOKOSA-N 342.439 2.980 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)CCCN1CCCCC1)nn2C 95363032 VYNLNPIPHKLSGG-UHFFFAOYSA-N 328.460 2.764 0 50 EFAA O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@H](CO)CC1 294077022 LBJKIYZPEFIDCG-VIFPVBQESA-N 343.392 2.550 0 50 EFAA CC1(C)CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@]1(C)O 91915314 JCCRWZQPHGNDLV-GOSISDBHSA-N 330.453 2.967 0 50 EFAA Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H]3[C@H]4C[C@H]2[C@H](O)[C@H]4O[C@]31C(C)C 238899615 GUWVOQWNTPKYFK-PTEKPKCCSA-N 327.424 2.644 0 50 EFAA 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Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)nc1C 298511701 VICIGKKEEIEZHH-UHFFFAOYSA-N 343.471 2.953 0 50 EFAA COc1ccc(CN[C@]2(CO)CCOC2)cc1OCc1ccccc1 184189020 IQLOWQLTOYVBTI-FQEVSTJZSA-N 343.423 2.515 0 50 EFAA NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 299738451 AXAUIDGQJNPVNP-WCFLWFBJSA-N 328.334 2.638 0 50 EFAA C[C@H](NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)c1cccs1 299742497 JQEJYNBRVYECKS-XUXIUFHCSA-N 336.457 2.643 0 50 EFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)nc1 252540129 OTUGAIIHANGZRG-OSAQELSMSA-N 329.425 2.658 0 50 EFAA O=C(NCc1cc(Cl)ccc1Cl)N1CCN2CCC[C@H]2C1 534658868 AAZFVMRPRHCRHP-ZDUSSCGKSA-N 328.243 2.983 0 50 EFAA Cc1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)nc1C 1940197670 HHGYREHATZKZGB-UHFFFAOYSA-N 344.268 2.977 0 50 EFAA CC[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccnn1C 299781328 DNRDUIANNYQLGY-ZDUSSCGKSA-N 330.388 2.788 0 50 EFAA O=C(c1ccco1)N1CCC2(CC1)CN(C[C@@H]1CC=CCC1)CCO2 828188987 RDTWXLRTTZHKJZ-QGZVFWFLSA-N 344.455 2.943 0 50 EFAA COc1cccc2c1CC[C@@]2(NC(=O)OCc1ccccc1)C(=O)O 725269478 UPDNNPFVAILJML-IBGZPJMESA-N 341.363 2.848 0 50 EFAA CO[C@@H](C(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 824504162 IDOZDXQJIYIBHP-LJQANCHMSA-N 338.407 2.834 0 50 EFAA Cc1nccn1C[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 584903137 VSHZEAIJXXISQX-OAHLLOKOSA-N 338.411 2.814 0 50 EFAA CC[C@H](NC(=O)c1nc(C(C)C)ncc1Cl)[C@H](O)C(F)(F)F 270944512 YEHXUMRETHRSLU-WPRPVWTQSA-N 339.745 2.685 0 50 EFAA CN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)N(C)C1=S 685944702 TWASNQGVJJMGAI-WFYKWJGLSA-N 327.453 2.871 0 50 EFAA CCOc1cccc(CCNC(=O)[C@H](CO)c2ccc(F)cc2)c1 1875312115 HSBNPANYQBVMHN-GOSISDBHSA-N 331.387 2.659 0 50 EFAA CO[C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1ncccc1C 1875362595 LQDNNTSMSHQAMF-ZWKOTPCHSA-N 346.452 2.512 0 50 EFAA Cc1cccnc1-c1nnc(CCN2CCN(c3ccccc3)CC2)o1 952874726 XXYYHRFPBRJASZ-UHFFFAOYSA-N 349.438 2.805 0 50 EFAA Cc1c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)oc2ccccc12 952889058 QVDDTFLIDYAGAI-UKRRQHHQSA-N 340.383 2.504 0 50 EFAA CO[C@@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1)c1ccccc1 1339050041 MLDBYQXHSYSKPS-RBUKOAKNSA-N 348.406 2.667 0 50 EFAA Cc1c[nH]nc1C(=O)N1C[C@H](NCc2sccc2Cl)C[C@H]1C 988813529 RWLUOQUGBWLJDR-GHMZBOCLSA-N 338.864 2.826 0 50 EFAA CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCCC2)c1 1565525264 HOTWLDRLBBKLAJ-MHORFTMASA-N 345.487 2.615 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccccc1OCc1ccccc1 1565509040 UTUFCVGHSLVNIO-HKUYNNGSSA-N 341.407 2.799 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccncc2F)C1 276041056 SBFYIDXZFWGVIN-CYBMUJFWSA-N 348.447 2.580 0 50 EFAA CC[C@@H](c1nc(-c2cccc(CN3CCOCC3)c2)no1)N(C)C 276491859 VOBXLTGLKRPCOB-INIZCTEOSA-N 330.432 2.582 0 50 EFAA CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1cccc(CN2CCCC2)c1 277399776 JUNFRAJVWPUQBW-RBUKOAKNSA-N 330.472 2.960 0 50 EFAA N[C@H](Cc1ccccc1)C(=O)N1CCC(COc2ccccc2)CC1 170673725 UZRCKGXXFVGSGG-HXUWFJFHSA-N 338.451 2.874 0 50 EFAA CC1(C)CCC[C@@H]1NC(=O)CCn1c(S)nc2ccccc2c1=O 170654382 ZJEWSFFJFAXJFL-AWEZNQCLSA-N 345.468 2.770 0 50 EFAA 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C[C@H](CN1CCOCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 19877218 VEPNFBINVFZKOL-OAHLLOKOSA-N 335.444 2.627 0 50 EFAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 166380036 HYWAXBUFGRBDKI-MKXGPGLRSA-N 331.371 2.925 0 50 EFAA Cc1nc(-c2cc(C3CC3)n(C)n2)n(-c2cnc3ccccc3n2)n1 1857681033 ZWWDCCIJOSYLBR-UHFFFAOYSA-N 331.383 2.797 0 50 EFAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H]1CCN=C(O)C1 328801661 ZKDZVJKADBVJBW-LLVKDONJSA-N 332.791 3.139 0 50 EFAA Cc1ccccc1Cc1nnc(CNc2cc(C(N)=O)ccc2C)o1 133639181 WYHGDWVXKRQNBE-UHFFFAOYSA-N 336.395 2.988 0 50 EFAA C[C@@H]1C[C@@H](CCNC(=O)N2CCCN(C3CCCC3)CC2)CCO1 253426829 BCIWFPSBXJYEOD-SJORKVTESA-N 337.508 2.852 0 50 EFAA CN1Cc2ccccc2[C@H](NC(=O)c2occc2Br)C1 378283486 YNPLWDOQDRTCLN-CYBMUJFWSA-N 335.201 2.959 0 50 EFAA O=C(c1cn2ccccc2n1)N1CCC(OC[C@@H]2CCCCO2)CC1 267436028 WICAHDXIHCIRLB-INIZCTEOSA-N 343.427 2.525 0 50 EFAA O=C(N[C@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccc(C2CC2)cc1 910617909 PDPYZCVMBKKIEA-WUJZJPHMSA-N 329.396 2.706 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)/C=C(\C)c2cccc(F)c2)C1 818582299 XTPIHDGBONWRGZ-ALTKIIGISA-N 329.375 2.941 0 50 EFAA CCc1cc(NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)ccc1F 931377750 VEDJDPROUXJFKW-SFHVURJKSA-N 346.406 2.949 0 50 EFAA CC(C)Cn1ccnc1NC(=O)C[C@H]1CC(=O)Nc2ccccc21 931537543 VZMXVIIUDJHMGB-CYBMUJFWSA-N 326.400 2.994 0 50 EFAA c1ccc2c(c1)oc1c(CN3CCO[C@H](c4nn[nH]n4)C3)cccc12 2100537598 RGENCNUXCOZYKV-INIZCTEOSA-N 335.367 2.673 0 50 EFAA Cc1cc(C(=O)N2CCN(C3CC3)C[C@H]2C)c2ccc(F)cc2n1 2100545156 IGNSLPZARYNYET-CYBMUJFWSA-N 327.403 2.991 0 50 EFAA Cc1ccc2c(c1)S[C@@H](C(=O)N1CCOCCC13CCOCC3)C2 2325786665 NZWUAODDOQTEMP-QGZVFWFLSA-N 347.480 2.810 0 50 EFAA CO[C@@H](C(=O)Nc1cccnc1OCc1ccccc1)[C@@H]1CCCO1 2325797231 AMMOHVYOWBTZSQ-DLBZAZTESA-N 342.395 2.793 0 50 EFAA CN1CCN(C2=NCCN2Cc2ccccc2)C[C@@H]1Cc1ccccc1 2325841938 KOKROQRDHSLFKZ-NRFANRHFSA-N 348.494 2.717 0 50 EFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 47658 UIAPEXJFOZNGIE-UHFFFAOYSA-N 325.773 2.927 0 50 EFAA COc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCO2)o1 115516 FOHPBQTUPOSUQJ-ZDUSSCGKSA-N 331.368 2.776 0 50 EFAA COc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1 348774 YULXNRGIQFUYJM-UHFFFAOYSA-N 327.380 2.747 0 50 EFAA COc1cc(C(=O)N[C@@H]2CSc3ccccc32)cc(OC)c1O 343662882 HPVPIXFHQYIKPR-GFCCVEGCSA-N 331.393 2.986 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2=CCCCC2)OCC(=O)N1C 2356153201 WKNVEOFSEWTULJ-MOPGFXCFSA-N 342.439 2.510 0 50 EFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1 6690844 MVHJHKLOUUTHTP-UHFFFAOYSA-N 332.425 2.556 0 50 EFAA CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 247301609 PBZJFEQCMNTFGU-ILXRZTDVSA-N 337.261 2.763 0 50 EFAA Cc1cc(OC(F)F)c(C(=O)N2CCN3CCCC[C@@H]3C2)s1 114250951 YHSQWJJKYGUVNN-LLVKDONJSA-N 330.400 2.968 0 50 EFAA NCC1(O)CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 420277338 SXZNODPTCBIRQX-UHFFFAOYSA-N 331.363 2.605 0 50 EFAA CNC(=O)c1cccc(N[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 247981261 XLYWZZQNZUJVNH-SFUJAXRZSA-N 343.471 2.788 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1 10038274 DUMGMPBCMRCUCV-UHFFFAOYSA-N 345.424 2.509 0 50 EFAA Clc1cnc(N2CCN(Cc3cccc4[nH]ccc34)CC2)nc1 67772159 AGSBJMCJAKARRW-UHFFFAOYSA-N 327.819 2.934 0 50 EFAA CCC[C@@H]1SCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 118649678 FKZYJGWPFAHACY-HNNXBMFYSA-N 336.457 2.833 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)cc1 77505667 LKDWORPCEUSKBB-SFHVURJKSA-N 326.444 2.849 0 50 EFAA COc1ccc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)cc1OC 67855269 KECAZYDGNUSNKD-GFCCVEGCSA-N 327.384 2.711 0 50 EFAA CC(C)NC(=O)N1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 23368663 JPNIXGNFYBSXTH-KRWDZBQOSA-N 341.459 2.699 0 50 EFAA Cc1cc(C(=O)Nc2cccc(O[C@@]34CCCN(CC3)C4)c2)no1 67774343 XSKGGVDOIJXAOY-SFHVURJKSA-N 327.384 2.852 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 65394230 GTYZDCZNZKNEIV-LLVKDONJSA-N 348.403 2.543 0 50 EFAA Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)on1 77406981 LEWRNCLZADYQMP-UHFFFAOYSA-N 329.444 2.710 0 50 EFAA CC(C)OCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71638963 XQHKHOPNBNJJTI-DFQSSKMNSA-N 328.456 2.500 0 50 EFAA COC(=O)COc1ccc(CN2CC(Oc3cccc(C)c3)C2)cc1 72164362 PMOCILLDJJLZOD-UHFFFAOYSA-N 341.407 2.810 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@H]3C[C@H](C)OC3=O)C2)cc1 230197672 GHXLPIVMYBLEIE-ZOBUZTSGSA-N 345.443 2.533 0 50 EFAA Cc1ccc([C@@H]2CN(Cc3nccn3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72410591 RMGUYRLXOIJRGC-CEWLAPEOSA-N 336.483 2.791 0 50 EFAA CC(C)Cc1nnc(SCC(=O)O)n1-c1ccc(F)cc1F 65470533 IDXLCNBWFGZPGH-UHFFFAOYSA-N 327.356 2.921 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282634194 SWZRPVCSTGWPNG-AEFFLSMTSA-N 339.370 2.510 0 50 EFAA O=C(COCCOc1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253395371 DJJSXARQDPPINM-GUDVDZBRSA-N 347.455 2.624 0 50 EFAA Fc1ccc(Cc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)s2)cc1 253370808 WOZCOJUEKGZDGG-CABCVRRESA-N 349.431 2.652 0 50 EFAA CCOC(=O)[C@](C)(NC(=O)c1cc(C)c(C)s1)c1cccnc1 328594916 FYGXNQVQLCDRHW-QGZVFWFLSA-N 332.425 2.968 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 35597997 LDZRAMAIICSUHQ-UHFFFAOYSA-N 341.415 2.538 0 50 EFAA O=C(NCc1cccc2c1OCCCO2)[C@H]1COc2ccccc21 155933581 CKWYHPCQXFSMTB-HNNXBMFYSA-N 325.364 2.640 0 50 EFAA O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 35686380 AUMOBXNBKKXDQU-GFCCVEGCSA-N 347.777 2.543 0 50 EFAA c1csc(CN(Cc2cn3cccnc3n2)C[C@H]2CCCO2)c1 124282751 XBLISEAMEKXAHB-OAHLLOKOSA-N 328.441 2.972 0 50 EFAA CC(C)N(C)C(=O)C1CCN(C(=O)c2cncc3ccccc23)CC1 332225087 NRIJYAJGTIAPMB-UHFFFAOYSA-N 339.439 2.954 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 156101308 HJGUVLNUSQHDGR-JGFGOQIWSA-N 326.400 2.634 0 50 EFAA Cc1noc(C)c1C[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237469505 SWPYCDKHSADEFY-PIGZYNQJSA-N 342.395 2.508 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1 237424208 WIBXZSIQADQUNC-RHSMWYFYSA-N 325.412 2.612 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CN1CCCCCCC1 77407532 UWWFYLFJQBZWJT-HXUWFJFHSA-N 343.515 2.768 0 50 EFAA CN(C)c1ccc(-n2ccnc2SC[C@H](O)C(F)(F)F)cc1 158510020 DBWABAPHCHBKRN-LBPRGKRZSA-N 331.363 2.954 0 50 EFAA Cc1cc(C)c(C(=O)N2CCC[C@@](O)(CN3CCCC3)C2)cc1C 77337379 NKTWIZDRANMPAN-HXUWFJFHSA-N 330.472 2.675 0 50 EFAA COc1cccc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 128212726 BALBAXGIMYPAQR-ZDUSSCGKSA-N 330.363 2.630 0 50 EFAA C[C@H]1CC[C@H](CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1 237710143 AWMMGJBWDRDJBA-DOTOQJQBSA-N 345.439 2.979 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 237998780 CVLRKIUFPRONCY-INIZCTEOSA-N 329.327 2.738 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)c2cc(Cl)ccc2n1 72171547 IPXUWIRZSHRDQS-GFCCVEGCSA-N 348.786 2.512 0 50 EFAA COC(=O)c1cc(N2CCC[C@@H](COc3cccc(C)c3)C2)ncn1 77358356 HYXVCLNEFCXYPE-OAHLLOKOSA-N 341.411 2.867 0 50 EFAA CCC(CC)[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC)C(=O)OC 239475369 ANSCADMBVGWXSY-ZOBUZTSGSA-N 333.428 2.893 0 50 EFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(O)cc4)c(=O)n1c23 199908688 KZNMMUBHOBMZMQ-SNVBAGLBSA-N 336.347 2.782 0 50 EFAA O=C(NCc1cc2n(n1)CCNC2)[C@@H](c1ccccc1)C1CCCC1 82136719 YUKVTUMAVDUTGV-IBGZPJMESA-N 338.455 2.577 0 50 EFAA CN(Cc1nn(C)c(Cl)c1Cl)S(=O)(=O)c1ccccc1 20614221 BTUOFNBXISKJRH-UHFFFAOYSA-N 334.228 2.548 0 50 EFAA COc1ccc(N2CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2=O)cc1 82098255 XTXWBCXFCMOIJN-UHFFFAOYSA-N 342.443 2.565 0 50 EFAA Cn1cc(CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)C2CC2)cn1 91651375 DCHDFQKVGMISPU-UHFFFAOYSA-N 339.374 2.754 0 50 EFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC(c2cccnc2)C1 91893344 LFIXIISDJMDRTL-MSOLQXFVSA-N 343.471 2.730 0 50 EFAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1cnc2c(F)cccc2c1 294784939 URJNAXWJDONBKW-OAHLLOKOSA-N 343.402 2.895 0 50 EFAA CC(C)N1CCC[C@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 95497609 CZNQIMLPUWREEY-INIZCTEOSA-N 342.443 2.516 0 50 EFAA Cc1csc(CCCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)n1 95353541 PZXUVDOWQYXJTD-MRXNPFEDSA-N 335.448 2.942 0 50 EFAA CCNC(=O)N1CC[C@H](NC(=O)c2oc3ccccc3c2CC)C1 295087810 XKMBGXBTYVZNFO-LBPRGKRZSA-N 329.400 2.529 0 50 EFAA COC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91829293 BEVSBEOYMZTDTF-UHFFFAOYSA-N 338.354 2.546 0 50 EFAA Cc1cc(C(F)(F)F)nn1CCNc1cc(C(C)C)nc(N)n1 95355438 LAXJJJQGWOPERH-UHFFFAOYSA-N 328.342 2.818 0 50 EFAA CSCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95386895 HKLVQWSYCWJORM-QXAKKESOSA-N 346.496 2.534 0 50 EFAA Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)C3CCC3)CC2)cn1 91694815 REOMPENSWJGCEO-AWEZNQCLSA-N 329.444 2.606 0 50 EFAA Cc1nn(CC(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)c(C)c1C 97568779 WLOUHBOMWGEIEK-OAHLLOKOSA-N 345.468 2.991 0 50 EFAA CCCCn1nc(Cn2cncn2)nc1-c1ccc(C)c(OC)c1 95523440 BBOVYRPSIPWYQW-UHFFFAOYSA-N 326.404 2.702 0 50 EFAA Cc1nn(C)c2nc(NCc3csc(-c4ncccn4)n3)sc12 96164951 BMTSRYUIOLXRSX-UHFFFAOYSA-N 343.441 2.864 0 50 EFAA Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](C)[C@H](N)[C@@H]1C 297408266 QIIOMZUZRQWAFW-MMPTUQATSA-N 333.457 2.838 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H](N)C2)c2cnn(C(C)C)c2n1 299739717 AGWSHMLANCUOGR-CYBMUJFWSA-N 329.448 2.699 0 50 EFAA CC(=O)c1ncc(C(=O)NC[C@H](c2cccc(C)c2)N(C)C)s1 534636209 UNQUBCJVIBPOOD-CQSZACIVSA-N 331.441 2.687 0 50 EFAA Cc1cc(O)cc(C(=O)NC[C@H]2CCCN(C3CCCCC3)C2)n1 299760551 WNCXYVNECPLLCC-OAHLLOKOSA-N 331.460 2.870 0 50 EFAA COCCN(CC(=O)N1CCCCCC1)Cc1cccc(OC)c1 299778851 IAMDALKUFHJHMH-UHFFFAOYSA-N 334.460 2.546 0 50 EFAA CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1 642598615 SUDLBZMJSGVSAA-CQSZACIVSA-N 345.443 2.787 0 50 EFAA COc1ccc(CNCc2cccnc2)cc1OC[C@H]1CCOC1 299760222 SXEHEGCIRGIFDK-KRWDZBQOSA-N 328.412 2.795 0 50 EFAA CCn1cc(CN(CCOC)C(=O)CC2Cc3ccccc3C2)cn1 299772813 CHTVAKSAQKZPSQ-UHFFFAOYSA-N 341.455 2.683 0 50 EFAA C[C@@H](Cn1cccn1)C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 827873003 FJOMASWGYGEGFE-INIZCTEOSA-N 349.438 2.896 0 50 EFAA COCCN(Cc1ccc(C)cc1)C(=O)NCC[C@@H]1CCCN(C)C1 584884370 KAKLQVHQWDRWGJ-SFHVURJKSA-N 347.503 2.885 0 50 EFAA O=C1CN(CC[C@@H](O)c2ccccc2)CCN1Cc1ccccc1F 670468895 FIDUKIMCVYGXJO-LJQANCHMSA-N 342.414 2.594 0 50 EFAA CN(Cc1ccc2ccccc2n1)C(=O)N[C@H](C(=O)O)C(C)(C)C 670437744 WFCFAMHIIZRMQF-OAHLLOKOSA-N 329.400 2.876 0 50 EFAA O[C@@H]1CN(c2nc(-c3ccccn3)nc3sccc23)CC(F)(F)C1 858510945 MOJKAYOMZKGLPL-JTQLQIEISA-N 348.378 2.960 0 50 EFAA C[C@H]1Cc2cc(NS(=O)(=O)c3cnn(C(C)(C)C)c3)ccc2O1 1875281149 RGEIWXNZMMCEID-NSHDSACASA-N 335.429 2.762 0 50 EFAA c1csc(Cn2c(-c3cnc[nH]3)nnc2N2C[C@H]3CC[C@H]2C3)c1 1875277817 HAPZUGMVLRSYQF-RYUDHWBXSA-N 326.429 2.767 0 50 EFAA CN1C(=O)CCC[C@@H]1c1nc(-c2ccc(N3CCCCC3)nc2)no1 1875280932 HIXQSCAXXLBVTO-CQSZACIVSA-N 341.415 2.805 0 50 EFAA c1ccc(Cn2nnnc2CN2CCC[C@H](c3ccncc3)CC2)cc1 1875281506 FALZMSSTUJGCLB-SFHVURJKSA-N 348.454 2.886 0 50 EFAA CC(C)(C)N1CCC[C@@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1 1875294176 CJPONZCIAXGXGN-SNVBAGLBSA-N 342.369 2.818 0 50 EFAA O=C(O)c1cn([C@@H]2CCN(Cc3ccc(F)c4ccccc34)C2)nn1 1875283268 LQSMIXCXCXDMBT-CYBMUJFWSA-N 340.358 2.716 0 50 EFAA COc1c(F)cccc1[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)C1 1875320971 PDRQRSJBWJTGBN-QWHCGFSZSA-N 343.402 2.678 0 50 EFAA CC(C)c1ccc(CNC(=O)NC[C@H](C)CN2CCOC2=O)cc1 1875311887 DEKUZAUKTKICPL-AWEZNQCLSA-N 333.432 2.698 0 50 EFAA Cc1cnc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)o1 1875393766 SEBJPDYSRNNFBL-OWQGQXMQSA-N 328.416 2.745 0 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COCCN(c1ccncc1)S(=O)(=O)c1cc(C)c(Cl)s1 170608422 FYZPCKTYZAWVCK-UHFFFAOYSA-N 346.861 2.947 0 50 EFAA CN(C)c1cncc(NC(=O)c2cccc(OCC(F)(F)F)n2)c1 633865340 UFPDFLBNYHXUDG-UHFFFAOYSA-N 340.305 2.736 0 50 EFAA Cc1n[nH]cc1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 187376617 RXTVDYKZJDKDSL-ZDUSSCGKSA-N 338.333 2.632 0 50 EFAA Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3cccn3)c2)cc1 172223095 HEOSXBPMIZFDNF-UHFFFAOYSA-N 348.406 2.891 0 50 EFAA CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC[C@@H]1C 187646289 JRXRVEOOWUMUAJ-RLFYNMQTSA-N 342.443 3.000 0 50 EFAA CC[C@@H](C(=O)OC)N(C(=O)c1cn2ccnc2s1)c1ccccc1 187922386 VIMGMUQIYJHBOS-ZDUSSCGKSA-N 343.408 2.994 0 50 EFAA Cc1nocc1NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 640486597 QTVHZHNSUQGUNP-NSHDSACASA-N 343.412 2.843 0 50 EFAA Cn1ccnc(N2CCC(c3ccccc3Br)CC2)c1=O 190450034 OSXZEQMFUBKRAB-UHFFFAOYSA-N 348.244 2.927 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@H]2CCCC[C@@H]21 659195438 PWNGSAYXCIFLJF-XNJGSVPQSA-N 341.411 2.597 0 50 EFAA Cn1cc([C@@H]2OCCC[C@H]2CN2CCC(c3ccnn3C)CC2)cn1 667575117 BVYMAHUEOCLXDT-QFBILLFUSA-N 343.475 2.501 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N2CC(C)(C)OCC2(C)C)cc1 734343515 ZIUNTUHZRXDXEH-UHFFFAOYSA-N 330.428 2.518 0 50 EFAA C[C@H](Cc1ccsc1)NC1CCN(C(=O)c2cccnc2)CC1 1506398022 RMCNNPCWFCBJDZ-CQSZACIVSA-N 329.469 2.969 0 50 EFAA O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2nc3ncccn3n2)C1 1529146920 RKCFNDJSTDTBPB-QGZVFWFLSA-N 349.438 2.538 0 50 EFAA c1ccc(-c2nc(CN3CCN4[C@H](COC[C@H]4C4CC4)C3)co2)cc1 1616070892 JWMSLRKTQINFBK-OALUTQOASA-N 339.439 2.637 0 50 EFAA CCC1=NO[C@H](CN2CCCN(C(=O)c3ccc(C)cc3)CC2)C1 1772700954 KFOKUTUWCYWSDD-SFHVURJKSA-N 329.444 2.698 0 50 EFAA COCCN(C)C(=O)c1cc(COc2cccc3cnccc23)on1 12299539 NFNYTYOQDPROID-UHFFFAOYSA-N 341.367 2.520 0 50 EFAA O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772855 BZCPXTRMAUGLRX-NSHDSACASA-N 338.342 2.694 0 50 EFAA Cc1nc(C)c(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)o1 1857700916 CATHYEBZINIXPG-UHFFFAOYSA-N 336.395 2.923 0 50 EFAA CCCCc1nc(-c2nccn2C[C@H]2CN(C)CCO2)c(Cl)[nH]1 1857728697 MQDZMJAJNNDNBJ-GFCCVEGCSA-N 337.855 2.600 0 50 EFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)cc1 1857735609 GUTUYHXHABRGTE-QEUVDIPISA-N 340.467 2.501 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)COCc2cccc(Cl)c2)C1 644122041 PWJFFWSVVOYGEO-CABCVRRESA-N 349.818 2.568 0 50 EFAA CN1N=C(C(=O)Nc2cccnc2Oc2ccc(F)cc2)CCC1=O 1875248050 VYQTVZIZTODVFE-UHFFFAOYSA-N 342.330 2.560 0 50 EFAA C[C@H](CNc1cc(N2CCOCC2)ncn1)Oc1cccc(Cl)c1 302873024 CGIAFYCOYMYXKK-CYBMUJFWSA-N 348.834 2.846 0 50 EFAA Cn1cncc1C(=O)NCC1(c2ccccc2Cl)CCOCC1 225474070 YWOFAJHJCSYRAI-UHFFFAOYSA-N 333.819 2.552 0 50 EFAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 430074332 BWWCOUUMNSPNEH-ROUUACIJSA-N 349.446 2.927 0 50 EFAA C[C@H](CC(=O)N1CCC(c2nnc(O)o2)CC1)c1ccccc1F 351849601 FFHDZSVNQRLFRM-LLVKDONJSA-N 333.363 2.814 0 50 EFAA Cc1ncc(CN2CC[C@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 253419944 SYWVYLUYTKRSJE-SKDRFNHKSA-N 335.395 2.731 0 50 EFAA CC(C)c1noc(CCC(=O)Nc2ccc([C@H](C)C(=O)O)cc2)n1 262819377 ARNHYTNAOIYHCO-NSHDSACASA-N 331.372 2.952 0 50 EFAA COc1cc(F)c(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1F 901882683 KXVVXHLZHJAENH-UHFFFAOYSA-N 331.344 2.552 0 50 EFAA O=C(O)c1coc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 911274113 DAUUECMMMQJAHO-NSHDSACASA-N 348.786 2.888 0 50 EFAA Cc1cnc([C@]2(NC(=O)c3cc(F)c(F)cc3Cl)CCOC2)[nH]1 818675548 CXRDTDWNKNJPON-HNNXBMFYSA-N 341.745 2.695 0 50 EFAA Cc1c(Br)cc(F)cc1C(=O)Nc1nc(C)n(C)n1 820303510 PERQUTVCYATAPK-UHFFFAOYSA-N 327.157 2.586 0 50 EFAA Brc1cncc([C@H]2CCCN2Cc2nnnn2C2CC2)c1 932253147 QAUHQWRBWHGUML-CYBMUJFWSA-N 349.236 2.503 0 50 EFAA C[C@@H]1COCC[C@H]1CNC(=O)c1noc2c1CCc1ccccc1-2 935955744 SWHJTZJHORHTJI-OCCSQVGLSA-N 326.396 2.843 0 50 EFAA C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Br)cc1 6746186 NFBBVBKPDWVFQQ-SECBINFHSA-N 337.173 2.799 0 50 EFAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1 36502 IVJJKKVPKKGKRZ-GFCCVEGCSA-N 344.289 2.728 0 50 EFAA CCN(CC)S(=O)(=O)c1cc2c(C)cc(=O)n3c2c(c1C)CCC3 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COC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 6699851 OEEOUGAJCMQEHT-HUUCEWRRSA-N 331.368 2.859 0 50 EFAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@@H](c2cccc(O)c2)C1 246881694 DKUMIMIRXPATGU-RVKKMQEKSA-N 332.444 2.555 0 50 EFAA Cc1ccc(-c2n[nH]cc2CNCC2(C(=O)N(C)C)CCCC2)o1 113348386 NXOMANLHJPOQEZ-UHFFFAOYSA-N 330.432 2.716 0 50 EFAA CCCn1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c(C)n1 55243369 OQJDJHDDNFNKSI-KRWDZBQOSA-N 342.443 2.818 0 50 EFAA C[C@@H](Cc1cccs1)NC(=O)CCNC(=O)c1ccc(F)cc1 55325963 BVCNGDFFRFOBKC-LBPRGKRZSA-N 334.416 2.755 0 50 EFAA Cc1n[nH]c(-c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)n1 50896465 IIFXODRJTBQBBU-UHFFFAOYSA-N 345.366 2.613 0 50 EFAA Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3nccn3C)C2)cc1 67921334 TXYDJJBJHFBJDM-MRXNPFEDSA-N 341.459 2.762 0 50 EFAA COc1cccc(NC(=O)NC[C@@H]2CCCN(C3CCOCC3)C2)c1 67713647 PBLHKCJWSVHFNV-HNNXBMFYSA-N 347.459 2.708 0 50 EFAA Cc1ncc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)s1 22918866 ZXDLQTOULQIVFE-SFHVURJKSA-N 345.512 2.829 0 50 EFAA C[C@H](C(=O)Nc1c(F)cccc1F)n1ncc2ccccc2c1=O 65362404 NRFRPQCRWXMEEE-SNVBAGLBSA-N 329.306 2.874 0 50 EFAA COc1ccc(CC(=O)NCCN2CCc3sccc3C2)c(F)c1 352490440 DLNGHTQFIBTPCH-UHFFFAOYSA-N 348.443 2.613 0 50 EFAA O=C(NC[C@H]1NCCc2ccccc21)c1cncc(C(F)(F)F)c1 423677440 RREKAYRTTZHDFN-OAHLLOKOSA-N 335.329 2.717 0 50 EFAA C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 119531124 VCPUAYYOKFHAGQ-DZGCQCFKSA-N 344.386 2.628 0 50 EFAA Cc1nccn1[C@@H](C)C(=O)NCc1cc(-c2ccc(F)cc2)no1 67894966 FJAQVTAOBYARNR-NSHDSACASA-N 328.347 2.863 0 50 EFAA Cc1cc(NCC(C)(C)CN2CCCC2)nc(-c2cccnc2)n1 357943035 KSFAATVAIQFHBA-UHFFFAOYSA-N 325.460 3.381 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1ccnn1C)C(C)C 252499145 RWBVNTQPAFFCBR-CQSZACIVSA-N 331.464 2.930 0 50 EFAA CCc1ccnc(CNC(=O)NC[C@@H](O)c2cc(C)cc(C)c2)c1 252491279 LKPJSWBSLMVWNL-GOSISDBHSA-N 327.428 2.794 0 50 EFAA Cc1nc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)no1 331832331 OFJQXWOEJKZXER-SNVBAGLBSA-N 329.326 2.510 0 50 EFAA O=C(NCc1cnn2ccccc12)c1cccc(Cn2cccn2)c1 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336.407 2.578 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)NCc2ccc(Cl)cc2)C1 92002443 NTCRUWVNZDOFOG-QGZVFWFLSA-N 340.851 2.661 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)c1nc(N)nc2[nH]cnc12 95368131 PPSAQHDNQKDQNB-UHFFFAOYSA-N 337.412 2.695 0 50 EFAA CCCn1ncc(C(=O)N2CC[C@@](O)(c3ccccc3C)C2)c1C 92003878 SGNUBHJXDJWLPN-IBGZPJMESA-N 327.428 2.644 0 50 EFAA O=C(O)[C@H](c1cccc(O)c1)N1CCC(OCc2cccnc2)CC1 95383640 YGMLQFPVEYUNQD-SFHVURJKSA-N 342.395 2.594 0 50 EFAA CCOc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CCOC)C3)cc1 91780583 VGHDZECVCSZNDN-NVXWUHKLSA-N 347.459 2.660 0 50 EFAA O=C(O)[C@H]1[C@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@H]2C=C[C@H]1O2 239174515 QDYGNXXHNLFGGH-BRSBDYLESA-N 349.386 2.546 0 50 EFAA O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccnn2)no1 95507480 XAXXZXJGWPBYJP-OAHLLOKOSA-N 335.367 2.894 0 50 EFAA CC[C@@H](C(=O)N(C)Cc1cc(-c2cccnc2)no1)n1cccn1 91604702 YGERHRPCLGCYTM-INIZCTEOSA-N 325.372 2.543 0 50 EFAA Cn1cncc1CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 237922751 DPQDOIJPZOAYSL-UHFFFAOYSA-N 339.365 2.593 0 50 EFAA CN1CCC[C@H](CCc2nc(-c3ccc(Cl)cc3)nn2CCO)C1 96139906 IHZGRQTUGVCIGM-CQSZACIVSA-N 348.878 2.865 0 50 EFAA CC[C@@H](NC(=O)c1cnn(-c2ccccc2OC)c1)c1nc(C)c[nH]1 91305994 OCYUGJHFWVSPCF-CQSZACIVSA-N 339.399 2.794 0 50 EFAA O[C@@H]1CCCOC12CCN(c1nnc(-c3ccccc3)s1)CC2 95354424 KYDTVKZAJYMKJF-CQSZACIVSA-N 331.441 2.715 0 50 EFAA O=C(NCCN1CCCCC1)Nc1ccc(-n2cncn2)c(Cl)c1 96140245 SDMKLTVUJXGSMV-UHFFFAOYSA-N 348.838 2.528 0 50 EFAA Cc1ccc(CN(C)CC(=O)Nc2nc(C)c(C(=O)O)s2)s1 244840264 UJZWMIXSKAKGHG-UHFFFAOYSA-N 339.442 2.590 0 50 EFAA CC1(C)C[C@@H](O)CCN(C(=O)NCc2ccnc(C(F)(F)F)c2)C1 298144500 OVZCIVAGYVQHIE-LBPRGKRZSA-N 345.365 2.793 0 50 EFAA O=C(CCCc1cccs1)N1CCCN(C(=O)c2ccc[nH]2)CC1 368886435 XGOOXCNIPXTNSF-UHFFFAOYSA-N 345.468 2.774 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1[nH]c3ccccc3c1Cl)CC2 299756027 BONFXPDJEUKLRX-KQYVJACZSA-N 348.830 2.966 0 50 EFAA CCCc1nc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 299761203 WRLLGQYJQRFESP-LBPRGKRZSA-N 335.473 2.617 0 50 EFAA COc1ccc(Cc2nc(-c3ccn(C(F)F)n3)n[nH]2)cc1OC 824603777 KTIWICWIPHTYJR-UHFFFAOYSA-N 335.314 2.671 0 50 EFAA CC(C)N1CCC(N(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 270163749 UUXRBASRGYJBHH-UHFFFAOYSA-N 343.471 2.524 0 50 EFAA Cc1nc(=NC[C@@H]2CC(C)(C)CC[C@H]2NC(=O)c2ccoc2)s[nH]1 1875407558 COLHDVPPVUIQEG-UONOGXRCSA-N 348.472 2.898 0 50 EFAA O=C(O)c1cc2c(cc1F)CCN(C(=O)C1(c3cccnc3)CC1)C2 1875294453 SILRFYBQQLOSJU-UHFFFAOYSA-N 340.354 2.535 0 50 EFAA C[C@H](CN=c1c(F)c[nH]cc1Cl)c1ccc(S(C)(=O)=O)cc1 1875287124 VTWKQJCSFBHGDJ-SNVBAGLBSA-N 342.823 2.915 0 50 EFAA Cc1nc(-c2cccc(N[C@@H](C)CS(=O)(=O)N(C)C)c2)cs1 1875285508 PHHIRGWWFRUPBT-NSHDSACASA-N 339.486 2.810 0 50 EFAA Cn1nc(CNC(=O)OC(C)(C)C)cc1-c1cccc2nc(O)[nH]c12 1875326345 HCOPAYHNTDGYII-UHFFFAOYSA-N 343.387 2.694 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2csc(CN(C)C)n2)c1C 952990173 WCUPNQARGVJKGP-UHFFFAOYSA-N 345.428 2.656 0 50 EFAA CS(=O)(=O)CCC(=O)N[C@@H](c1cccs1)C1CCCCC1 952869787 OQCFOWHSFYLMCD-OAHLLOKOSA-N 329.487 2.920 0 50 EFAA CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc2nc(Br)nn2c1 1775999055 NGUQLCRXPKFDFK-GXSJLCMTSA-N 337.221 2.895 0 50 EFAA COC(=O)c1cc2c(OCCCS(=O)(=O)C(C)C)cccc2[nH]1 1775987483 GMNRXZXQCHQHSP-UHFFFAOYSA-N 339.413 2.547 0 50 EFAA COc1ccc2c(c1)CC[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 680240607 HXJGLDPHGYQCCZ-MRXNPFEDSA-N 348.406 2.768 0 50 EFAA Cc1cc(-n2cccn2)ccc1NC(=O)Nc1cnc(N(C)C)nc1 170608488 GBXOLDCIRZYOHC-UHFFFAOYSA-N 337.387 2.681 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c(F)c1 170644089 YTOLNONMLFMOTP-UHFFFAOYSA-N 347.367 2.764 0 50 EFAA C[C@@H]1CCCC[C@H]1OCCNC(=O)C[S@@](=O)c1cccc(F)c1 170667589 ORWRMIZZLXBFAJ-DBOTXTLRSA-N 341.448 2.645 0 50 EFAA COCC[C@@H](CO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1 281536015 ZBRJFJIMXCHDQH-LBPRGKRZSA-N 330.812 2.646 0 50 EFAA COc1ccc(F)cc1CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 281946031 HXLGVZPUJIKBOL-GVDBMIGSSA-N 335.419 2.919 0 50 EFAA C[C@@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(C)(C)C 408520747 VIVRYBPIIDRDKE-UONOGXRCSA-N 342.480 2.811 0 50 EFAA O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)c1cccc(Cl)c1O 641595024 WAQPFSXXTSDWMS-RYUDHWBXSA-N 338.816 2.523 0 50 EFAA C[C@H](CN(C)C(=O)c1ccccc1C(=O)c1cccs1)C(=O)O 225460771 AWACYHDJXLIYRH-LLVKDONJSA-N 331.393 2.772 0 50 EFAA CN1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)c2ccccc21 225422767 RDFPFGFEGKXRFP-OAHLLOKOSA-N 337.423 2.864 0 50 EFAA Cc1cccc(CCN2CCN(c3nccc(C(C)C)n3)CC2)n1 645859789 JABYEMVBFYKSEY-UHFFFAOYSA-N 325.460 2.668 0 50 EFAA O=C(c1ccc(-n2cnc3ccccc32)cc1)N1Cc2c[nH]nc2C1 646346967 LNPRUIHWHQKGBR-UHFFFAOYSA-N 329.363 2.905 0 50 EFAA CCOC(=O)[C@H](NC(=O)c1oc(C)nc1C)c1ccc(Cl)cc1 193867201 XLKFAXWCDCMARJ-CYBMUJFWSA-N 336.775 2.979 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)[C@@H]1C[C@@H]1C)C(=O)O 746368051 RNVCYJVZLHEVCS-JNHRWOMLSA-N 345.374 2.526 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCC([C@@H]2CCCO2)CC1 195573772 CEUYEDAGTFSOHA-MJGOQNOKSA-N 343.471 2.866 0 50 EFAA CCn1ncc2ccc(NC[C@@H]3CCO[C@H]3c3nccn3C)cc21 667936661 RGSVKGHTWMEWOD-WMLDXEAASA-N 325.416 2.979 0 50 EFAA Fc1ccc(N2CCN(C3CSCCSC3)CC2)c(F)c1 1506407332 QTWYMZMHGAKTOT-UHFFFAOYSA-N 330.469 2.935 0 50 EFAA Cc1cc(F)ccc1NC(=O)CCNc1ccc(C(=O)N(C)C)cn1 1529112304 JZWRAQYTPYQGIS-UHFFFAOYSA-N 344.390 2.672 0 50 EFAA O=C(c1ccsc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529113614 GVTMKNJZMCGTRC-IAGOWNOFSA-N 328.437 2.646 0 50 EFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 1134369 MPFSNAHWRVHXJR-SEEODLKFSA-N 335.381 2.601 0 50 EFAA COc1c(Br)ccc(C)c1C(=O)N1CCCOCC1 424619057 BADBKRPAIBZCQB-UHFFFAOYSA-N 328.206 2.629 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1O 1704311403 IBDXOCOQVZLKCM-CZUORRHYSA-N 346.254 2.979 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)n[nH]1 1704299255 PKXFYUHTLVIGOQ-CZUORRHYSA-N 339.361 2.772 0 50 EFAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3nccs3)ccc2n1C 1772809232 PUEYHBKWJLCGSJ-SNVBAGLBSA-N 325.397 2.936 0 50 EFAA COc1ccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1O 11661886 APIJGNNOCOSFBA-AWEZNQCLSA-N 332.444 2.672 0 50 EFAA CCCN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O 12041742 DDFADCUMOPNWIU-UHFFFAOYSA-N 342.361 2.719 0 50 EFAA Cc1cc(C)n(Cc2cc(C(=O)N3CCc4sccc4C3)n[nH]2)n1 12307004 DSKUFDQDYVAZLM-UHFFFAOYSA-N 341.440 2.531 0 50 EFAA Cc1ncsc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 12437949 JWWNEKFDXAXRAG-LBPRGKRZSA-N 349.843 2.636 0 50 EFAA Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1C 18207375 DKSJONSKLPMTKS-UHFFFAOYSA-N 329.425 2.606 0 50 EFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(c2ccccc2)=NO3)cc1 169760460 VDLFHBBXHTUIJM-UHFFFAOYSA-N 335.407 2.909 0 50 EFAA CC(C)c1ccc(C=CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 1857533339 CYLDPBZEHDPPDT-KRWDZBQOSA-N 335.469 2.859 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 1857721462 QBOPZMYHGLHVKG-QFBILLFUSA-N 333.391 2.773 0 50 EFAA O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1CCc1ccccc1 131794 YLLQDPKAEIEOCQ-UHFFFAOYSA-N 342.782 2.866 0 50 EFAA CS[C@@H]1CC[C@H](NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)C1 229933228 CDOQBMZPEDYPAD-SDDRHHMPSA-N 339.427 2.549 0 50 EFAA CC(C)c1cc(C(=O)NC2CCN(CCc3ccncc3)CC2)no1 120991543 VCHWAQRLKAQGNM-UHFFFAOYSA-N 342.443 2.630 0 50 EFAA Cc1cc(CCC(=O)N2CC[C@H](C(=O)O)C2)ccc1Br 237600367 MVNZCOCKMRYKMC-LBPRGKRZSA-N 340.217 2.623 0 50 EFAA CCn1cc(C(=O)Nc2cc(C)ccn2)c(=O)c2cc(OC)ccc21 16648325 BXMDKPYAESEQRT-UHFFFAOYSA-N 337.379 2.986 0 50 EFAA C[C@H]1C[C@@H](CO)CCN1C(=O)c1cccc(OCc2cccnc2)c1 253419625 RDIHWJAVXJISFG-HOTGVXAUSA-N 340.423 2.894 0 50 EFAA O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@H]1CCn2cncc2C1 151813953 OWICSJDERMJOBU-LBPRGKRZSA-N 342.830 2.939 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)NCCc3ccc(F)cc3Cl)C2)C1 489021387 UJYDGDAFFKRAFU-QGZVFWFLSA-N 339.842 2.759 0 50 EFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnn2ccccc12 1660985234 VPTPWCSQVDVGAM-HNNXBMFYSA-N 327.409 2.609 0 50 EFAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C(=O)O)C1 905268503 IXVBOVPYTRPLGA-TZMCWYRMSA-N 346.427 2.916 0 50 EFAA Cc1occc(=O)c1OCC(=O)NC1(c2ccccc2Cl)CC1 823448188 NCUYPCCRIHJBRJ-UHFFFAOYSA-N 333.771 2.786 0 50 EFAA Cc1occc(=O)c1OCC(=O)N1CCCc2c(F)cc(F)cc21 931514016 JOURIQWEHFGNKP-UHFFFAOYSA-N 335.306 2.585 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)Nc1c[nH]nc1-c1cnccn1 2325840482 BRCIBHJJSZTTRO-UHFFFAOYSA-N 329.751 2.868 0 50 EFAA CCCCc1oc2ccccc2c1C(=O)NC[C@@H]1CN(C)CCN1C 2325862948 OIGKWYKURRMCBP-OAHLLOKOSA-N 343.471 2.751 0 50 EFAA COc1cc2c(-c3cccc(-c4nnc(O)n4C)c3)cn(C)c2cn1 2325863057 SXVKKGIRKPMVMJ-UHFFFAOYSA-N 335.367 2.750 0 50 EFAA NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2 38775 QMANVEHUKUATCF-UHFFFAOYSA-N 330.409 2.743 0 50 EFAA COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 187765 JRZJFINUEMXOPS-YOEHRIQHSA-N 338.363 2.570 0 50 EFAA biogenic CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 314142 WDSCXONZERXCGC-KRWDZBQOSA-N 336.391 2.876 0 50 EFAA O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 352029 UTWMKORAHCIUKS-UHFFFAOYSA-N 330.409 2.723 0 50 EFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1 405349 SDPCYPMVZZPJDG-OAHLLOKOSA-N 329.327 2.789 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C1CC1 4855660 HILZEUBOHKIIRT-UHFFFAOYSA-N 330.409 2.514 0 50 EFAA C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@H]1CCNC1 246895110 JFSOKPLEJFGQRY-YOEHRIQHSA-N 339.439 2.665 0 50 EFAA Cc1ccc([C@@H]2COCCN2C[C@@H](O)COc2ccc(F)cc2)o1 247194008 SOXYEWMTDFMJQQ-WBVHZDCISA-N 335.375 2.540 0 50 EFAA Cc1nc(CC(=O)NCC2(c3cccc(F)c3)CCOCC2)cs1 55451208 ILJQLIFJDRLJHN-UHFFFAOYSA-N 348.443 2.998 0 50 EFAA C[C@@H](O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 55131479 JUBKLLVBYOLAPT-LLVKDONJSA-N 332.429 2.830 0 50 EFAA COc1ccc(NC(=O)NC[C@H]2CCCN(C(C)C)C2)cc1OC 67982141 VVOPPASAMUPBKM-CQSZACIVSA-N 335.448 2.946 0 50 EFAA C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1CCCO1 252487150 SPGOURXTEYSXDI-NKKGCODLSA-N 336.407 2.913 0 50 EFAA CC[C@@H](C(=O)N1CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 65364342 WDCOJZHEQWMVJC-INIZCTEOSA-N 338.473 2.552 0 50 EFAA CNc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)ccn1 65406141 YFXJZXHUTHBIDQ-ZDUSSCGKSA-N 329.404 2.650 0 50 EFAA Cn1ncc2c1C[C@H](C(=O)N(CC(F)F)c1ccc(F)cc1)CC2 282340327 UZAIHWMCOYBRHL-LLVKDONJSA-N 337.345 2.962 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)N1CC[C@H](Oc3ccccn3)C1)O2 330008305 GNXJFOXRNHNGMW-WMZOPIPTSA-N 338.407 2.764 0 50 EFAA Nc1ccnc(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)n1 67821394 OOVMWRXAJSHQSK-UHFFFAOYSA-N 332.835 2.534 0 50 EFAA CC(C)c1cc(-c2nc(C3CC3)nn2-c2ccccn2)nc2ncnn12 65370848 CAZFTVFMSAKKTO-UHFFFAOYSA-N 346.398 2.768 0 50 EFAA COc1cc2c(cc1CN(C)CC[C@H](O)c1ccccc1)OCO2 215054456 MMHMRDCSUPCKND-INIZCTEOSA-N 329.396 2.979 0 50 EFAA CCOc1nc(C)ccc1C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 253431304 RBZAODMBNZZRQP-AWEZNQCLSA-N 344.415 2.575 0 50 EFAA COc1ccc([C@H](NC(=O)CN2CCOC3(CCC3)C2)C2CC2)cc1 154185153 LYFCAZBWZIQEJJ-LJQANCHMSA-N 344.455 2.517 0 50 EFAA COc1cccc(CC2CCN(C(=O)Nc3cnn(C)c3)CC2)c1 363733090 WRLMSNQUDMBHJX-UHFFFAOYSA-N 328.416 2.915 0 50 EFAA COc1ccnc(N2CCN(C(=O)c3occc3C(C)C)CC2)c1 283294470 CPYXJCSHUMKLKH-UHFFFAOYSA-N 329.400 2.769 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 283357177 YGWHWLKRYCBJBC-KGLIPLIRSA-N 333.457 2.827 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cnn2c1CCCC2 366847238 OSNQMPAMKAQYCH-FUHWJXTLSA-N 347.422 2.691 0 50 EFAA COCc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)cc1 261604790 CLTVNOBSGYUUBG-KRWDZBQOSA-N 325.364 2.657 0 50 EFAA O=C(Nc1nc(-c2cccs2)ns1)C1(CF)CCOCC1 331874194 BUMSQURLFFGHTO-UHFFFAOYSA-N 327.406 2.971 0 50 EFAA CCS[C@H](C)c1noc(CN(C)Cc2cnc(OC)nc2C)n1 337144890 DGKRIQLMJLZJBU-LLVKDONJSA-N 337.449 2.623 0 50 EFAA CCc1nccc(CN2CCC(Cc3noc(C4CC4)n3)CC2)n1 215619820 BVEIGVHOLJHVAC-UHFFFAOYSA-N 327.432 2.754 0 50 EFAA O=C(COCc1ccccc1)N1CCC[C@H]1c1nc(C2CC2)no1 219302413 LBAXNHGFIQYXKQ-HNNXBMFYSA-N 327.384 2.827 0 50 EFAA COc1cccc(C2(C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)CC2)c1 375726472 IOEADUPXWQJHRA-CQSZACIVSA-N 325.412 2.856 0 50 EFAA O=C(CSc1ccncc1)NCC[C@@H]1COc2ccccc2O1 216461275 CGIKEUKOGYZGFX-CYBMUJFWSA-N 330.409 2.520 0 50 EFAA Cn1cc(N2CCC[C@H](N3CCC[C@H]3c3ccsc3)C2=O)cn1 241586477 OWGDULDCJWDTQZ-HOTGVXAUSA-N 330.457 2.814 0 50 EFAA Cn1ccnc(N2CCC(c3cccc(Br)c3)CC2)c1=O 241942331 ULPSUYTUWZKKOY-UHFFFAOYSA-N 348.244 2.927 0 50 EFAA COC(=O)[C@@H]1CCC[C@H]1N[C@H](C(=O)N1CCCCC1)c1ccccc1 242316993 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343.471 2.974 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cn3cccc(C)c3n2)C1 97575093 RQOXZIZHUHMWQQ-HNNXBMFYSA-N 337.427 2.879 0 50 EFAA OCc1ccc(Cn2cc(-c3ccccc3Cn3cccn3)nn2)cc1 91321739 ZUNAJXNTBOKKNF-UHFFFAOYSA-N 345.406 2.731 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91745203 FSZUNKFDNNWLSU-INIZCTEOSA-N 335.407 2.760 0 50 EFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)C2(Cn3cccn3)CC2)C1 91425393 RNQBDXBJAMARFD-LJQANCHMSA-N 345.443 2.713 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)[nH]n2)cc1 95501078 OGGACTPAJPWRTA-SFHVURJKSA-N 349.390 2.811 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2C1)c1cnc(-c2cccnc2)nc1 95382172 VTQHNSJNVIWMOZ-GOSISDBHSA-N 330.391 2.826 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N2CCC[C@H]2c2nccs2)CC1 92065355 DUHJKBRWJIAUAV-HNNXBMFYSA-N 347.484 2.845 0 50 EFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc2ccccc2[nH]1 240662372 PKLZEEAJMSDLPF-ZVZYQTTQSA-N 335.407 2.675 0 50 EFAA COCC[C@H]1CN(Cc2ccc3c4c(cccc24)C(=O)OC3)CCO1 244594121 DGTHZSKDAICBFP-INIZCTEOSA-N 341.407 2.748 0 50 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O=C(N=[S@]1(=O)CCC[C@]2(CCCN2)C1)c1cncc2ccccc12 1875393125 GXYXRQZQQPOQQJ-KOSHJBKYSA-N 343.452 2.759 0 50 EFAA Cc1ccc(OC[C@H]2C[N@]2CC(C)C)c(C(=O)N=c2cc[nH]cc2)c1 1875385416 SONNUAZFVBLFTJ-HXOBKFHXSA-N 339.439 2.783 0 50 EFAA CCc1ccc(-n2nc(CC(N)=O)nc2-c2ccc(F)cc2C)cc1 1875324532 BXVMHSVOXSATFD-UHFFFAOYSA-N 338.386 2.972 0 50 EFAA Cc1ccncc1-c1cn(C2CN(C(=O)/C=C/C(C)(C)C)C2)nn1 1875323789 UJFYXRFXISQTAE-FNORWQNLSA-N 325.416 2.634 0 50 EFAA COc1cc(C)c(C(=O)N[C@@H]2COC3(CCCC3)C2)cc1C(=O)O 1875318931 MJLDZICMHVDESG-LBPRGKRZSA-N 333.384 2.533 0 50 EFAA CC(C)(C)c1cc(=O)n(C[C@H](O)c2ccc(OC(F)F)cc2)cn1 952846925 BZMWSVVZMJMFJP-ZDUSSCGKSA-N 338.354 2.876 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)NCc1cnn2c1CCCC2 952995644 SNRGDMQCVHATRH-UHFFFAOYSA-N 337.383 2.508 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2C(=O)O)C12CCCCC2 1875269444 LNNKKSJMPPAALL-HUUCEWRRSA-N 335.448 2.678 0 50 EFAA COc1ccnc(N(C)S(=O)(=O)c2ccc(C(C)(C)C)nc2)c1 1875280821 APCWSQKCCCTDJO-UHFFFAOYSA-N 335.429 2.608 0 50 EFAA Fc1ccc2nc(C(F)F)[nH]c(=NC[C@@H]3CC(F)(F)CO3)c2c1 1875288175 QDDCSABDYWXJFX-QMMMGPOBSA-N 333.260 2.965 0 50 EFAA Cc1nc(-c2cccs2)ccc1C(=O)N1CCC(=O)N2CCC[C@@H]21 888179991 IUNJMXWWDKWEQI-INIZCTEOSA-N 341.436 2.913 0 50 EFAA CC(C)NS(=O)(=O)N1CCC[C@H](COc2ccccc2Cl)C1 272211034 QCQKIIKJPSTSLG-ZDUSSCGKSA-N 346.880 2.674 0 50 EFAA Cc1cccc(F)c1NC(=O)N1CCC([C@H](O)c2nccn2C)CC1 274170505 WJHBQCMEQXNGBK-INIZCTEOSA-N 346.406 2.845 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)CC1 186646648 IZDCRZOGSSFHLE-MRXNPFEDSA-N 340.423 2.851 0 50 EFAA O[C@@H](C[C@H]1COCCN1c1nc(C2CC2)ns1)c1cccs1 301547786 FOJFHSIBQQSPEV-RYUDHWBXSA-N 337.470 2.806 0 50 EFAA CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C[C@H]2CSCCS2)C1 170081718 PUAPTCCJTCTSJY-KBPBESRZSA-N 345.530 2.805 0 50 EFAA COc1cccc(N2CCC[C@@H](NC(=O)c3ccncc3C)C2)c1 170083099 DBBXHXWVHLETTF-OAHLLOKOSA-N 325.412 2.797 0 50 EFAA CNC(=O)c1cccc(NC(=O)CSCCOc2ccccc2)c1 170111526 GIBSTDCVRGUBIH-UHFFFAOYSA-N 344.436 2.797 0 50 EFAA CCS(=O)(=O)c1ccccc1NCc1ccc([S@@](C)=O)cc1 170604497 MJCBRPGTWYOQDB-OAQYLSRUSA-N 337.466 2.830 0 50 EFAA CC(C)(c1ccccc1)c1nnc(NC(=O)N2CC[C@@H](CO)C2)s1 304351472 ZBMNWWKPYHLCKV-GFCCVEGCSA-N 346.456 2.710 0 50 EFAA COc1cccc(C2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)c1 170881238 OSTLFZKLQFUXFA-UHFFFAOYSA-N 327.428 2.984 0 50 EFAA COc1ccc(CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 221843619 XLDROWWGHZYEPD-MSOLQXFVSA-N 345.487 2.896 0 50 EFAA Cc1cccn2cc(CNC(=O)COc3ccc4c(c3)CCC4)nc12 110798296 LJRFFARLLMSWJX-UHFFFAOYSA-N 335.407 2.827 0 50 EFAA O=C(N[C@@H](CCO)C1CCCCC1)C(F)(F)C1(O)CCCCC1 225475318 BRWMVVQQPGRIGC-AWEZNQCLSA-N 333.419 2.764 0 50 EFAA C[C@@H](NC(=O)N1CCC(Cn2cncn2)CC1)c1ccc(F)cc1F 189895530 GXLMLQBRWCVABY-GFCCVEGCSA-N 349.385 2.739 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)N[C@H]1CCOc2c(F)cccc21 190435492 VYGROIDYOFMJCQ-WBMJQRKESA-N 346.406 2.790 0 50 EFAA CC1=C(c2ccccc2)[C@@H]1C(=O)Nc1nnc(CCN(C)C)s1 1506397623 FHZMREDKCVJNCS-OAHLLOKOSA-N 328.441 2.684 0 50 EFAA Cn1c(C(=O)N2CCNC(=O)C23CCCC3)cc2c(Cl)cccc21 1506419614 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2.866 0 50 EFAA Cc1nc(-c2cc(NC(=O)[C@@H]3CCCO3)cc(C(F)(F)F)c2)n[nH]1 416247560 AZCMEKKOJCZOJU-LBPRGKRZSA-N 340.305 2.916 0 50 EFAA CCc1nnnn1-c1ccccc1NC(=O)COC1CCCCC1 118741481 QICMPDOPUWQTNG-UHFFFAOYSA-N 329.404 2.513 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1nnnn1-c1ccccc1 230091890 NMJVZGSLWLOICB-SQWLQELKSA-N 340.431 2.697 0 50 EFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)Cc1noc2ccccc12 326454068 DXBKEXRJGYOSFQ-GOSISDBHSA-N 336.347 2.581 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)o1 328610725 IYSIZSUJGHMBGR-MRXNPFEDSA-N 340.383 2.690 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2c(F)cccc2Cl)C1 644116923 GTMMWGBUTPZTNH-YGRLFVJLSA-N 337.782 2.733 0 50 EFAA O=C(O)c1cccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 238216355 KGVGXMADUJOGAT-SFHVURJKSA-N 338.407 2.666 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)Cc2cc(C)[nH]n2)c(OC)c1 11661695 BDELJTWMPVWYEV-UHFFFAOYSA-N 341.415 2.757 0 50 EFAA C[C@@H]1C[C@H](CCNC(=O)N2CCCN(C3CCCC3)CC2)CCO1 253426822 BCIWFPSBXJYEOD-IAGOWNOFSA-N 337.508 2.852 0 50 EFAA Cn1cc(-c2ccc(F)c(C(=O)NC[C@]3(C)CCCC[C@@H]3O)c2)cn1 360409212 VACCWDJEGXVZPF-HKUYNNGSSA-N 345.418 2.897 0 50 EFAA CS(=O)(=O)c1cccc(OCCN2CCc3sccc3C2)c1 154314581 ZYWDWBICMOWZET-UHFFFAOYSA-N 337.466 2.589 0 50 EFAA C[C@@H](Nc1ncnc2c1CN(C)CC2)c1cccc(-n2ccnc2)c1 266175030 ACAJXRLFEQKRKJ-CQSZACIVSA-N 334.427 2.823 0 50 EFAA COc1cccc([C@@H](C)C(=O)N2CCc3nc[nH]c3C23CCC3)c1 829090819 KPPDEEPHSUATOL-CYBMUJFWSA-N 325.412 2.986 0 50 EFAA CCN1CCC[C@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)C1=O 930621420 MTQISLGMIQZJGE-INIZCTEOSA-N 338.411 2.881 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(Br)c1 139737945 JJDHAQBGWLIXPE-RBJBARPLSA-N 336.185 2.911 0 50 EFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1 4380937 QRJQRCHTPDMBDV-NBUZRDOWSA-N 330.384 2.833 0 50 EFAA O=C1NC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)O1 2325702687 UPLJIQKYLJWTHH-CQSZACIVSA-N 347.374 2.740 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]1C1(C)CC1)n1cc(C2CCOCC2)nn1 2325843650 LGZMCFZVKKWZOC-CZUORRHYSA-N 332.448 2.524 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 207307 ABYZJNSBCBPJEZ-INIZCTEOSA-N 334.460 2.784 0 50 EFAA COc1ccc([C@@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC 282377 RXYFEOVYJHRDPG-IBGZPJMESA-N 344.363 2.910 0 50 EFAA biogenic CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1C(N)=O 369137 GJAIXTCRPDWCKV-GHMZBOCLSA-N 338.429 2.547 0 50 EFAA C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 469476 DSBAMBATKXVGIU-ZDUSSCGKSA-N 332.425 2.573 0 50 EFAA COc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1Cl 2028706 WYTKDGOYPOFKLN-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA CC(C)Oc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 6434902 BMHRHXUVILURTG-UHFFFAOYSA-N 325.412 2.831 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc21 6745787 XJXYOCFQUVXSOX-AWEZNQCLSA-N 345.196 2.742 0 50 EFAA O=C(NCc1cccc2c1OCCCO2)N[C@@H]1COc2ccccc21 134107386 TZSAPEMONVOBIU-OAHLLOKOSA-N 340.379 2.781 0 50 EFAA CCn1c(COc2ccccc2C(C)C)nnc1SCC(N)=O 8882539 PSLBBRWDINZYPZ-UHFFFAOYSA-N 334.445 2.578 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ncccc1C(F)(F)F 344597129 REFMDBWTZXWHGN-IMJJTQAJSA-N 344.377 2.852 0 50 EFAA CCc1nc(CN(C)C(=O)Nc2nc(-c3ccccc3)ns2)no1 55405178 JPYMXQIJGUTLPT-UHFFFAOYSA-N 344.400 2.814 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N[C@H](CC)c2ccnn2C)cc1 55100133 CVIWHXDSRUHZNH-OAHLLOKOSA-N 329.400 2.659 0 50 EFAA CCOC(=O)c1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 116410117 FEJMKYWTDHTWSC-CQSZACIVSA-N 342.399 2.618 0 50 EFAA CC(C)c1ccccc1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 346529835 KFZDEMIDVWWPHQ-UHFFFAOYSA-N 335.411 2.991 0 50 EFAA Cc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[nH]c1=O 101141705 WRFZJVDMSKNDAC-WCFLWFBJSA-N 339.461 2.569 0 50 EFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)C1 55393339 AYPQEJARINYKOY-CQSZACIVSA-N 337.851 2.855 0 50 EFAA Cc1cc(NC(=O)c2cccc(=O)[nH]2)n(Cc2ccccc2Cl)n1 55099332 VISCPVRTIJIWHT-UHFFFAOYSA-N 342.786 2.834 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 10327801 WEJWYOYMNYURAW-UHFFFAOYSA-N 326.324 2.589 0 50 EFAA CC(C)n1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 66388250 OAJQWWAZGCEAKW-INIZCTEOSA-N 342.399 2.834 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2ccccc2F)cc1 72429465 HWPUWMSNSOLVEH-SFHVURJKSA-N 345.414 2.993 0 50 EFAA OC1CCN(c2ccnc(NCCc3ccccc3Cl)n2)CC1 65491093 OSXDDCIVLPLTBD-UHFFFAOYSA-N 332.835 2.746 0 50 EFAA Cc1cc(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)no1 172663587 PYRACQKMRWEYTO-ZDUSSCGKSA-N 333.819 2.964 0 50 EFAA CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O 1395 AADCDMQTJNYOSS-LBPRGKRZSA-N 340.851 2.831 0 50 EFAA biogenic,world Cc1cc(CN2CC[C@H](CNC(=O)c3nccc4ccccc34)C2)n[nH]1 67817091 YRDRWVITPUQDJL-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(O)cc(C(F)(F)F)c1 356406469 MKOVLLNMCIALSJ-GJZGRUSLSA-N 343.345 2.981 0 50 EFAA O=C(Nc1cccc(-c2cccs2)c1)N1CCN2CCOC[C@H]2C1 253427694 GKOLYNCAAAHLRW-MRXNPFEDSA-N 343.452 2.963 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CN3CCCC3)C2)cc1F 150855119 OSEMYJUZWQSWLI-HZPDHXFCSA-N 333.451 2.879 0 50 EFAA COC(=O)[C@H]1CCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2803403 RXVMZMULPWVZPQ-DGCLKSJQSA-N 334.416 2.603 0 50 EFAA COc1ccc(OC)c([C@@H]2CCN(C3CCN(C(C)=O)CC3)C2)c1 65504288 IPWMBAHNFYUDNV-OAHLLOKOSA-N 332.444 2.504 0 50 EFAA COc1ccc(CN(C)CCn2ccnc2)cc1CN1CCCC1 216238258 ZELRGHFNZNLBCA-UHFFFAOYSA-N 328.460 2.620 0 50 EFAA COc1cccc([C@H](O)CN[C@H]2CCC[C@H](c3ccnn3C)C2)c1 369631692 PXHOCTHVOZCUJO-URLQWDBASA-N 329.444 2.778 0 50 EFAA Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2n[nH]cc2c1 330121400 JOVUBAIJZCJXJP-UHFFFAOYSA-N 326.444 2.962 0 50 EFAA CCc1n[nH]c2c1CN(C(=O)c1cccc(-n3nc(C)cc3C)c1)CC2 32547722 KVTFZVVJXSEXGA-UHFFFAOYSA-N 349.438 2.973 0 50 EFAA Cc1cc(F)cc(S(=O)(=O)N2CCC3(CCOCC3)CC2)c1 284788550 XLQOOLHDLZMGTP-UHFFFAOYSA-N 327.421 2.715 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 239761769 CKKNNMONOKXNHU-JJTUDDRGSA-N 346.471 2.731 0 50 EFAA COCc1cc(N[C@H]2CCO[C@@H]2c2cccnc2)nc(C(C)(C)C)n1 339095197 DTPYHRKDVQJSDZ-DOTOQJQBSA-N 342.443 3.258 0 50 EFAA O=C(NCC1(c2ccccc2)CCOCC1)c1cc(C2CC2)n[nH]1 31931656 XOIMNGRJJXKFLP-UHFFFAOYSA-N 325.412 2.765 0 50 EFAA O=C(c1cc[nH]c(=O)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 131353271 KTWBHRIOUCGZIT-ZWKOTPCHSA-N 340.423 2.883 0 50 EFAA CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1csc2ccccc12 285212828 RWGHVGNWIDAZIL-JTQLQIEISA-N 327.427 2.775 0 50 EFAA CO[C@@H]1CCC[C@H]1N=c1[nH]c(N[C@@H]2CCC[C@H]2OC)ncc1Cl 450788086 SXCRKEMAJWGIDV-AAVRWANBSA-N 340.855 2.511 0 50 EFAA Cc1[nH]nc(CCC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1C 77487350 FQFIGCKPAVMGQS-KRWDZBQOSA-N 342.443 2.562 0 50 EFAA O[C@H]1C[C@@H]([C@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 222243250 HQEAAVRBEVLGEJ-KNBMTAEXSA-N 341.455 2.741 0 50 EFAA Cc1csc(SCC(=O)NC[C@H]2Cc3ccccc3CN2C)n1 220259600 GLHOYBRALLULNA-OAHLLOKOSA-N 347.509 2.717 0 50 EFAA CCc1cnc(CNC(=O)N[C@H]2COc3c(C)cccc3C2)s1 291036492 NUQMOFYDANHLIU-CYBMUJFWSA-N 331.441 2.817 0 50 EFAA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 221157315 AUJWCPHKDMQXFM-JTQLQIEISA-N 339.317 2.611 0 50 EFAA O=C(O)c1cccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 95528437 NOQVQWRXWNEAFE-UHFFFAOYSA-N 329.375 2.631 0 50 EFAA COc1ccccc1CC1CCN(C(=O)Cc2cnn(C)c2C)CC1 293221472 XXAJKVWLAXELRJ-UHFFFAOYSA-N 341.455 2.761 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC(c3ccnn3C)CC2)cc(O)n1 180443146 CESJXOXUQMAQJO-UHFFFAOYSA-N 342.443 2.739 0 50 EFAA Cc1ccc(O)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1 91745431 VTKPCQNCUJIVNI-JKSUJKDBSA-N 325.364 2.641 0 50 EFAA CCn1nc(CNC(=O)CC[C@H]2CCCCN2C)c2ccccc21 95352322 CLMQLSMBTTWABD-OAHLLOKOSA-N 328.460 2.937 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](C(=O)O)C1 237641242 CTOHVKYCMBDABJ-UWVGGRQHSA-N 329.755 2.570 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCc1ccc2c(c1)OCCCO2 95370262 CULBNQKXJSYVSQ-INIZCTEOSA-N 332.444 2.729 0 50 EFAA CCOCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95373927 PRKLUMYKBDGEKK-DFQSSKMNSA-N 346.446 2.641 0 50 EFAA COCCc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 96164129 GWAQLUKLJZHIGI-AWEZNQCLSA-N 329.400 2.902 0 50 EFAA Cc1csc(CCCNC(=O)CCc2n[nH]c3c2CCCC3)n1 244773944 PJEQUCSIHJURER-UHFFFAOYSA-N 332.473 2.735 0 50 EFAA O[C@H]1C[C@H]([C@H](Nc2ncc(F)c(N3CCCC3)n2)c2ccccn2)C1 244882586 XUQJQWUOVWAJAJ-XEZPLFJOSA-N 343.406 2.535 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C(C)C)nc1C 297730669 KILUQYQRRFYFFG-SFHVURJKSA-N 337.423 2.831 0 50 EFAA COC(=O)[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccnc1 183039931 YIYFUXXFZWBGOX-DOTOQJQBSA-N 345.830 2.818 0 50 EFAA COCCN1C[C@H](Cc2ccc(OC)c(C(F)(F)F)c2)CC1=O 252499356 RZFYRKVDXPUBBB-GFCCVEGCSA-N 331.334 2.751 0 50 EFAA CC(=O)Nc1ccc(OC[C@@H](O)CN2CCc3c(F)cccc32)cc1 184035797 OWMHKOCGSJJMLO-HNNXBMFYSA-N 344.386 2.587 0 50 EFAA Cc1cnc([C@H](C)CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)s1 184478330 TVONUBQQHJHJHE-SECBINFHSA-N 346.412 2.708 0 50 EFAA CCOCCN(C)C(=O)N[C@H](C)c1cnn(-c2ccccc2F)c1 534647943 JSFQYHAXADSZTH-CYBMUJFWSA-N 334.395 2.750 0 50 EFAA CC(C)c1noc([C@@H]2CCCN(C(=O)NCc3cscn3)C2)n1 534634282 WJSPDOHEZDAKEZ-LLVKDONJSA-N 335.433 2.739 0 50 EFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C)c(C)c1)C2 299794082 JNJSJBWTFPLBNN-UHFFFAOYSA-N 326.444 2.542 0 50 EFAA CC(C)n1ccc(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n1 864188434 FFPDVYSZFAEYHQ-JKSUJKDBSA-N 327.384 2.833 0 50 EFAA CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccnc1OC)CCO2 185588979 FUWOEVQRKNNUIM-HNNXBMFYSA-N 328.368 2.743 0 50 EFAA O=C(OCCF)N1CCC(c2nccc(C3CCOCC3)n2)CC1 1875275534 JIWYSYIKCVTQAQ-UHFFFAOYSA-N 337.395 2.656 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cc(F)cc(-c3cccnc3)c2)cn1 1875381072 JKUYXZKXZDYWKG-UUOWRZLLSA-N 338.386 2.884 0 50 EFAA O=C(N[C@H](CC(F)(F)F)C1CC1)c1cc2occ(C(=O)O)c2[nH]1 1875319269 VNCOEGFULZMDLI-SECBINFHSA-N 330.262 2.920 0 50 EFAA COc1ccccc1CN(C)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886035876 NKGHQQKXFQAZPN-RHSMWYFYSA-N 329.400 2.545 0 50 EFAA CCCN1C[C@@H](NC(=O)c2cnn3c(C)c(C)ccc23)C(C)(C)C1 974681520 UEHMCPIXJBVJCJ-QGZVFWFLSA-N 328.460 2.801 0 50 EFAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(O)cc(F)cc1F 1775992348 YSCDEWOPSPDLEU-UHFFFAOYSA-N 345.371 2.865 0 50 EFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 269240841 JFJMYBGZXDYBNI-RLLQIKCJSA-N 343.515 2.669 0 50 EFAA CC(=O)c1ccc(F)cc1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 185782612 DDPVJALPKQIMNB-CQSZACIVSA-N 344.342 2.843 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 269937497 QXBLCUZVVPOWMN-CABCVRRESA-N 344.377 2.680 0 50 EFAA Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)nn1-c1ccccc1Cl 272119613 ZIKAUJHQGFPKBU-QWHCGFSZSA-N 331.803 2.501 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc4cc[nH]c34)CCO2)o1 275527412 YNUWRUPKKGVCJO-AWEZNQCLSA-N 340.383 2.888 0 50 EFAA Cc1c(NC(=O)C2(Cc3ccccc3)CC2)nnn1Cc1ccncc1 408518691 UWVYMPLSOKDOME-UHFFFAOYSA-N 347.422 2.991 0 50 EFAA O=C(Cc1ccc2[nH]ncc2c1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225423639 XVJJVGNSOAXDNY-AEFFLSMTSA-N 339.370 2.579 0 50 EFAA CO[C@@](C)(C(=O)NCCc1cccc(C(=O)O)c1)c1ccccc1 225553160 PMDKZJZNQOOLBY-LJQANCHMSA-N 327.380 2.605 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@H](CC(C)C)C1=O 170592693 YPDBHKROVLVAER-MRXNPFEDSA-N 348.443 2.877 0 50 EFAA Nc1nc(NCc2cc(-c3ccccc3)on2)cc(-n2cccn2)n1 170604190 GZDOJTLCXJERGN-UHFFFAOYSA-N 333.355 2.512 0 50 EFAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCCCc2ccccc21 188097935 RBCSLQFIQWFXGW-UHFFFAOYSA-N 341.383 2.680 0 50 EFAA C/C(=C\C(=O)N(CC(=O)O)C1CCOCC1)c1ccccc1Cl 767038538 PZABCSRRWZBTFW-ZRDIBKRKSA-N 337.803 2.836 0 50 EFAA CN(C[C@H](O)CC1CCCC1)C1CCN(CCc2ccccn2)CC1 190648550 VMCDEMFYYYKBRM-OAQYLSRUSA-N 345.531 2.962 0 50 EFAA COc1ccccc1CCNC(=O)c1cc(F)cc2nccnc12 193576310 LQRLPRFPUCBHBV-UHFFFAOYSA-N 325.343 2.750 0 50 EFAA CSC1(CNC(=O)N2CCCN(CC(F)(F)F)CC2)CCC1 195129434 LMJOALZYIAMQRW-UHFFFAOYSA-N 339.427 2.552 0 50 EFAA O=C(O)c1cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)ccn1 653291353 ADCGHUNOGQVRPA-ZDUSSCGKSA-N 346.408 2.663 0 50 EFAA CC[C@H](NC(=O)NCc1cnn(CC(F)(F)F)c1)[C@@H]1CCCCO1 654493029 FZZGLMFVIDHCNM-STQMWFEESA-N 348.369 2.592 0 50 EFAA O=C(CCc1cccc(Cl)c1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529168593 GWHFXBPPJKCSRY-CRAIPNDOSA-N 344.842 2.730 0 50 EFAA CC1(NC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCC1 1704325429 LKELQDKQJYBDRT-UHFFFAOYSA-N 341.411 2.851 0 50 EFAA CCCC(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 1704339001 BHYPRIZNMLJVAB-UHFFFAOYSA-N 333.428 2.894 0 50 EFAA Cc1ccc2c(c1)cc(C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1)n2C 1704346965 DKIDAPZGZUCGNO-QZTJIDSGSA-N 349.434 2.869 0 50 EFAA COc1ccc(NC(=O)C[C@H]2CNc3ccccc3OC2=O)cc1 1848442947 PNBFYWYKZPLVAY-LBPRGKRZSA-N 326.352 2.671 0 50 EFAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 12380465 CDNGQLPUYFFGCE-HNNXBMFYSA-N 328.387 2.942 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CCCCCC1 14980999 GDACGSKOGXGKMS-HXUWFJFHSA-N 348.462 2.992 0 50 EFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3C[C@H]3CCCO3)cc2c1 1857691481 MXSHNVUCBFHPMV-OAHLLOKOSA-N 339.395 2.969 0 50 EFAA COc1nc2ccccc2cc1-c1nccc(N2CCC[C@@H](O)C2)n1 1875250585 OFRPUWVZFGDFOK-CQSZACIVSA-N 336.395 2.662 0 50 EFAA Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)c1C 408515443 XRYQOJXFDABOKM-AWEZNQCLSA-N 332.831 2.933 0 50 EFAA COc1ccnc(CS(=O)(=O)c2cccc(Cl)c2)c1OC 225685528 VVFZNRVDXUKCIB-UHFFFAOYSA-N 327.789 2.726 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(c2ncncc2Br)C1 225647277 XHZAJFWPACXCQT-AAEUAGOBSA-N 338.180 2.691 0 50 EFAA CC(C)(C)SCCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 225786226 YFEFOZGQVUWBSH-UHFFFAOYSA-N 337.489 2.555 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)NC3(C(=O)O)CCCC3)cc2)n1 237661148 CKRHYXPIUZJUMY-UHFFFAOYSA-N 341.411 2.675 0 50 EFAA C[C@H](c1ccon1)N(C)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 12035452 OORKGZQFEGQUGN-BDJLRTHQSA-N 331.347 2.721 0 50 EFAA CC1(C)Cc2cccc(CN[C@@H](C(N)=O)c3ccc(F)cc3)c2O1 130831970 MFTDQRASOHLUEA-MRXNPFEDSA-N 328.387 2.855 0 50 EFAA COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(C)o3)C2)cc1F 253392216 KZDSTPMVEDVWPZ-GFCCVEGCSA-N 332.331 2.659 0 50 EFAA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N[C@H]1c2ccccc2C[C@H]1O 155556594 IZEMHRFJGURJGC-MDMHHNQBSA-N 334.419 2.530 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CCC(n2ccnc2)CC1 156420669 DWBIKSXVVCJFEP-CYBMUJFWSA-N 328.420 2.920 0 50 EFAA Cc1cc(Cc2nc([C@H](C)n3cc(Br)cn3)no2)no1 904100604 RKOPMLUBZHLFKE-QMMMGPOBSA-N 338.165 2.525 0 50 EFAA CS(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 904369825 DTLFJCYDOKMZFJ-LBPRGKRZSA-N 343.355 2.501 0 50 EFAA CCOc1nc2ccc(C(=O)NC[C@]34CCC[C@H]3OCC4)cc2[nH]1 830770447 UORWWNCVDYATRU-CRAIPNDOSA-N 329.400 2.651 0 50 EFAA CN(Cc1csc(C(C)(C)O)n1)C(=O)c1cn(C)nc1C1CCC1 840473206 LRFURNNVRVHQKS-UHFFFAOYSA-N 348.472 2.644 0 50 EFAA O=C(c1ccnc(NC2CCCC2)c1)N1CC[C@H](c2ncc[nH]2)C1 2325762152 CDMMRCUFAZDIDM-AWEZNQCLSA-N 325.416 2.789 0 50 EFAA CN(CCn1ccnc1)C(=S)Nc1ccc(Br)cc1 2325880017 QBQUCSGRJYTFOV-UHFFFAOYSA-N 339.262 2.974 0 50 EFAA CN(CC(=O)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 186163 JQXHQBRZZAHKTI-UHFFFAOYSA-N 335.363 2.696 0 50 EFAA CCOc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 261808 ZZNKXGOOXACZPD-UHFFFAOYSA-N 329.352 2.924 0 50 EFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 456491 TVYJWGVDNJQAHQ-NSHDSACASA-N 325.792 2.764 0 50 EFAA Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)c1 526544 ZPQJDYNOBDDYLU-UHFFFAOYSA-N 339.424 2.916 0 50 EFAA Cn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 527481 MHORCQLWXJMLBU-UHFFFAOYSA-N 328.184 2.984 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(C)c(Cl)c2)CC[C@H]1O 2356140438 JBKHJKHJNDDFHJ-RHSMWYFYSA-N 339.819 2.726 0 50 EFAA CC1=CC2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)OCC1 2356162290 GIOLIQDVJOIEHI-UHFFFAOYSA-N 338.411 2.813 0 50 EFAA O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356167792 BYCRTLBTELOPQH-HXUWFJFHSA-N 337.423 2.928 0 50 EFAA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)Nc2ncnn21 4424111 MTXLPAAFBBENSZ-OAHLLOKOSA-N 328.372 2.529 0 50 EFAA CCOc1ccc2ccccc2c1CNCCSc1nnnn1C 4488483 AOVXOCRFKXSGCS-UHFFFAOYSA-N 343.456 2.644 0 50 EFAA O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1Cl 8286521 QCTYJMWOYRYPQP-UHFFFAOYSA-N 338.816 2.647 0 50 EFAA Cc1ccc(CN2CCN(C(=O)c3ccccc3O)[C@@H](C)C2=O)cc1 55404516 GGOCZYMFJLKNGB-HNNXBMFYSA-N 338.407 2.574 0 50 EFAA CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@@]2(C)CCO[C@@H]2C)c1 345480741 PDTRYGVDGUAFEH-KSMMKXTCSA-N 347.459 2.582 0 50 EFAA C[C@H]1CCCC[C@H]1OCCNC(=O)c1cnn(-c2cccnc2)c1 347503123 OSBABFDFHSBNMJ-WMLDXEAASA-N 328.416 2.592 0 50 EFAA Cc1nc(NC(=O)NCc2ccccc2-n2ccnc2)nn1C(C)C 63857672 CIGBBJZMWIRVQA-UHFFFAOYSA-N 339.403 2.675 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(C)[C@@H](C)c3nc(C)no3)cc2c1 67821964 FXSNDOLRNKESLI-NSHDSACASA-N 342.399 2.811 0 50 EFAA c1ccc(Cc2nnc3n2CCN(c2ccc4cc[nH]c4n2)CC3)cc1 72153589 CTORGMINYVQLKB-UHFFFAOYSA-N 344.422 2.808 0 50 EFAA CC[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)c2ccccc2O1 172689795 KIISWLNVLMLNQV-LLVKDONJSA-N 331.397 2.919 0 50 EFAA Cc1ccc(OCCOCCN2CCN(C)CC2)c(C(C)(C)C)c1 22184747 XYLIARHRUQFPOA-UHFFFAOYSA-N 334.504 2.935 0 50 EFAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1[nH]nc2c1CCCC2 155435492 ATGOUMQDRBWCTG-QGZVFWFLSA-N 325.412 2.532 0 50 EFAA C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cnn(C)c1 121435898 RFDCNMSPQLYJTA-MPGHIAIKSA-N 342.443 2.948 0 50 EFAA C[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)N(C)C 356243446 BYGFKCANHSKXBA-JLTOFOAXSA-N 336.439 2.913 0 50 EFAA Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCCN2C2CCOCC2)c1 253426463 GYVNJOMYDIYUGC-GOSISDBHSA-N 334.435 2.736 0 50 EFAA CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)N1CCSCC1 151697001 OCOFRBVFNYGFKY-CQSZACIVSA-N 349.500 2.544 0 50 EFAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccn(C)n1 2768078 LDRQMERGIABMIP-UHFFFAOYSA-N 327.363 2.673 0 50 EFAA Cc1cccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)c1F 359517494 WUWIFBFZEKCXAS-ZDUSSCGKSA-N 327.421 2.564 0 50 EFAA O[C@@H](COc1ccccc1F)CN1CCC[C@H]1c1noc(C2CC2)n1 257366197 MVKVGOYOIFPAFX-HIFRSBDPSA-N 347.390 2.663 0 50 EFAA O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN2CCOC[C@H]2C1 328588257 MXVKJEQNCWSIIP-CYBMUJFWSA-N 348.752 2.515 0 50 EFAA CCn1cnnc1[C@@H]1CN([C@H](C)CCc2cccc(F)c2)CCO1 328653514 WXCWZZAVTSIFLU-PBHICJAKSA-N 332.423 2.832 0 50 EFAA NC(=O)c1noc([C@H]2CCCN2Cc2csc3ccccc23)n1 328622268 BBAUMIIHQFYOMG-GFCCVEGCSA-N 328.397 2.720 0 50 EFAA CSc1nsc(NC(=O)N2CCO[C@H](c3ccsc3)C2)n1 157010286 ZZIWIQOJKQRBEG-VIFPVBQESA-N 342.471 2.927 0 50 EFAA CC(C)n1ccc(N[C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)n1 367366952 FOGFJBYAZCNRGQ-MSOLQXFVSA-N 338.455 3.554 0 50 EFAA c1ccc(-c2nc3c(c(NCCCn4cccn4)n2)CCNCC3)cc1 72409079 NMYUNSHRNACURZ-UHFFFAOYSA-N 348.454 2.531 0 50 EFAA CCC1=NO[C@@H](C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)C1 219105389 JRLKXKBKBCSMOI-OAHLLOKOSA-N 335.354 2.968 0 50 EFAA COCC1(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)CCC1 72406788 KBWNHGBTOYIBAI-UHFFFAOYSA-N 343.427 2.656 0 50 EFAA Cn1cc(NC(=O)CN2CCCC[C@H]2CCc2ccc(O)cc2)cn1 72145074 YGFZZNQIZKNALP-KRWDZBQOSA-N 342.443 2.552 0 50 EFAA COc1ccccc1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 36358405 DTGDTLZDUWCJPF-CYBMUJFWSA-N 333.413 2.970 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 262394377 LABMDFNYFAVSNI-HTQZYQBOSA-N 337.681 2.940 0 50 EFAA COCCOc1ccc(NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1F 237221033 UMQIPPNWRMFZOO-AGUYFDCRSA-N 336.407 2.710 0 50 EFAA CC(C)c1ccc([C@@H](C)CC(=O)NC2CCN(C(N)=O)CC2)cc1 158968038 MCEXITIWDZCPQA-AWEZNQCLSA-N 331.460 2.963 0 50 EFAA Cc1cc(-n2cccn2)ccc1CN1CCC(N2CCCC2=O)CC1 71759624 RZBNZMYDZCGKBP-UHFFFAOYSA-N 338.455 2.768 0 50 EFAA COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 263187131 WYNRBHCXCUWQFI-ZACQAIPSSA-N 343.354 2.880 0 50 EFAA COc1ccc(CN2CC[C@H](NC(C)=O)C2)c2c(OC)cccc12 215780171 ABFQUBXIFARSRD-HNNXBMFYSA-N 328.412 2.567 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3ncc4c(n3)CCC4)cc2)n1 77299763 KUSCHKKYTPCABT-UHFFFAOYSA-N 347.422 2.698 0 50 EFAA O=C(NCc1coc2ccccc12)N1CCO[C@@]2(CCCOC2)C1 286644848 JEPQXTGMKKNMBF-SFHVURJKSA-N 330.384 2.524 0 50 EFAA CC(C)(C(=O)NOCc1cc(Br)no1)c1ccccc1 240897307 ISBBMLABJPZUNQ-UHFFFAOYSA-N 339.189 2.963 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC([C@H](O)c2ccccc2)CC1 241588227 PBAAUVHEQGPXEQ-LJQANCHMSA-N 327.428 2.541 0 50 EFAA CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCNC1=O 178266636 DYGBQQNIRWXDDO-CYBMUJFWSA-N 344.242 2.532 0 50 EFAA CN(C)Cc1csc(CN2CCN(c3ccccc3)C(=O)C2)c1 82120537 RZVFZYHFDNEZDX-UHFFFAOYSA-N 329.469 2.659 0 50 EFAA CSC[C@@H]1CCCN(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 426674109 FEQKEUSJLDBXLF-LLVKDONJSA-N 336.436 2.987 0 50 EFAA CC[C@@H](NC(=O)c1cc(Cl)ccc1OCCN)c1ccncc1 426489804 VSCGSQGTQJOEIC-OAHLLOKOSA-N 333.819 2.954 0 50 EFAA O=C(CCc1ccccn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 180072870 IJHBUEWWDWRZFY-RHSMWYFYSA-N 332.350 2.627 0 50 EFAA CC(C)c1cc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)cc(O)n1 293818968 ZQOQQPVUPNMFBM-INIZCTEOSA-N 328.412 2.586 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc2c(cnn2C)c1 426374450 YJBAUTBDNWEILV-UHFFFAOYSA-N 326.404 2.668 0 50 EFAA C[C@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccncc1 180291590 BQJCBBYTHWYKJZ-HOCLYGCPSA-N 333.432 2.908 0 50 EFAA Cc1noc(C)c1NC(=O)N1CCC(c2nnc3ccccn23)CC1 96141661 DSDPAPIIGBTMTJ-UHFFFAOYSA-N 340.387 2.746 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NC[C@]3(O)CCC[C@H]3C)c12 294131575 KTGYWFIBLPBJIX-BFUOFWGJSA-N 330.428 2.776 0 50 EFAA Cc1ccc(NCCCNC(=O)[C@H](c2ccccc2C)N(C)C)nc1 95505129 HMMHJKMOLNBNGU-IBGZPJMESA-N 340.471 2.920 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)Nc2cnns2)n1 96152979 ABFONQWKWLUFBK-SSDOTTSWSA-N 348.354 2.520 0 50 EFAA Cn1cnc2cc(C(=O)NC[C@H]3CCOc4ccccc4C3)ccc21 96149715 IWAAGWVVERYJSH-AWEZNQCLSA-N 335.407 2.945 0 50 EFAA O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)NCc1cccs1 244564060 CLVHBAPVIOBJDD-QGZVFWFLSA-N 348.443 2.967 0 50 EFAA COc1ncccc1NC(=O)c1c(C)cc(C)n(CC2CC2)c1=O 253413617 VGAZLQKZHIYHSK-UHFFFAOYSA-N 327.384 2.531 0 50 EFAA CSc1cccc(C)c1NC(=O)N1CCN(c2cnn(C)c2)CC1 184982049 GHFORMJJKDOKTK-UHFFFAOYSA-N 345.472 2.805 0 50 EFAA CN(C)Cc1ccc(-c2cccc(C(=O)NCCc3cn[nH]c3)c2)nc1 299780252 ACGVUMIFZKDKTK-UHFFFAOYSA-N 349.438 2.506 0 50 EFAA COC[C@H](C)NC(=O)[C@@H]1CC(Cc2cccc3ccccc23)=NO1 299771533 SYBWQPSYVKEQJN-UGSOOPFHSA-N 326.396 2.678 0 50 EFAA Cc1cc(C)n(CC(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)n1 827864693 SNOVUBJVZPGYKP-CYBMUJFWSA-N 326.400 2.654 0 50 EFAA Cc1ncc(CN2CC(N[C@@H](C)CCc3ccc4c(c3)OCO4)C2)o1 1875323888 WABWXMXUSFMPEZ-ZDUSSCGKSA-N 343.427 2.507 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1F 952889790 GBAINFSHOUFFRG-ZDUSSCGKSA-N 349.337 2.682 0 50 EFAA COC1(c2noc(C3CCC(N4CCOCC4)CC3)n2)CCCC1 952883081 QJSHUIYQMYUPOF-UHFFFAOYSA-N 335.448 2.844 0 50 EFAA Cn1cc([C@@H](O)CNCc2c(Cl)cccc2Br)cn1 1875284645 DGFYRAKNBZCYIW-ZDUSSCGKSA-N 344.640 2.659 0 50 EFAA O=C(OCCCn1cnccc1=O)c1ccc2c3c(cccc13)CC2 1875265708 KIVWXIPYPFNMFF-UHFFFAOYSA-N 334.375 2.742 0 50 EFAA O=C(c1ccc(C[C@@H]2CC[C@H](CN3CCCC3)O2)nc1)N1CCCC1 952853471 DCNAXEBTMXNFKQ-RBUKOAKNSA-N 343.471 2.504 0 50 EFAA CCSc1ccccc1NC(=O)c1cn(C[C@@H]2CCCNC2)nn1 952974218 QVNGYRLGZQNJHE-CYBMUJFWSA-N 345.472 2.642 0 50 EFAA COc1cccc(OCCN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)c1 888102565 AYXDXVDDBMNAEW-MSOLQXFVSA-N 345.443 2.876 0 50 EFAA CCOC(=O)c1c(NC(=O)NCc2ccccn2)sc(OC)c1C 1775991044 CNWOFIAUFGUYLG-UHFFFAOYSA-N 349.412 2.959 0 50 EFAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C2(C(=O)O)CC2)cc1 165021929 DUKQWEHKPHPSIW-GFCCVEGCSA-N 330.384 2.505 0 50 EFAA COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1occc1Br 271497314 IOTRLGYSMUHPAJ-YMTOWFKASA-N 344.205 2.894 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)o1 275305411 HYSAGCIHDDGYQA-VXGBXAGGSA-N 335.429 2.958 0 50 EFAA O=C(N[C@H]1CCSc2ccc(Br)cc21)c1c[nH]nn1 170591771 UAIBPZJCTWYRBE-VIFPVBQESA-N 339.218 2.534 0 50 EFAA C[C@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccc(F)cc1F 170595006 YBZADSDEPBHJNW-SNVBAGLBSA-N 326.368 2.629 0 50 EFAA CSc1nc(C)c(CCC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(C)n1 225404676 OKIYTTKEIWXLRL-APYUEPQZSA-N 331.485 2.909 0 50 EFAA Cc1cccc(CN2CCC(NC(=O)c3cccc4nn[nH]c34)CC2)c1 170603009 QSUUHAMELZGNPN-UHFFFAOYSA-N 349.438 2.661 0 50 EFAA CN1C(=O)N(c2ccncc2)C(=O)[C@H]1c1cccc(Br)c1 170613810 GKFLCTYEQRKBGH-CYBMUJFWSA-N 346.184 2.984 0 50 EFAA C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H](CNc2ccccn2)C1 171646426 RAVMZQZKRSUVHT-SJLPKXTDSA-N 344.503 2.900 0 50 EFAA C[C@@H]1CN(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)C[C@H]1CO 189508028 WTCXRTMFLCYKCJ-WZRBSPASSA-N 346.349 2.916 0 50 EFAA Cn1nc(-c2cccs2)nc1NC(=O)Cc1noc2ccccc12 193243207 PLCJJYMFXIPCPJ-UHFFFAOYSA-N 339.380 2.866 0 50 EFAA CCOC(=O)[C@@H](NC(=O)c1oc(C)nc1C)c1ccc(Cl)cc1 193867215 XLKFAXWCDCMARJ-ZDUSSCGKSA-N 336.775 2.979 0 50 EFAA COc1ccc2cccc(CC(=O)N3CCO[C@H](C(F)F)C3)c2c1 194120337 CUUKYVUMIPEVJE-INIZCTEOSA-N 335.350 2.883 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCO[C@H](c2ccsc2)C1 194836897 CSKIVGWBECTQEK-KRWDZBQOSA-N 343.452 2.957 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@@H](C)N3CCc4ccccc43)CC2)n1 195085880 YKXQAHMBPNCYOV-CYBMUJFWSA-N 340.427 2.535 0 50 EFAA O=C(NCC(F)(F)c1cccc(F)c1)[C@@H]1NCCc2ccccc21 662853930 KDCNHSDHQAOUBK-MRXNPFEDSA-N 334.341 2.921 0 50 EFAA FC(F)(F)CN1CCN(C[C@H]2CCCN2Cc2ccccc2)CC1 1506404264 WEUZDYUMWKCEFW-QGZVFWFLSA-N 341.421 2.831 0 50 EFAA O=C1CCN(C[C@@H]2CCOC2)CCN1Cc1cccc2ccccc12 1506407729 UKFGCSXVKCUEOE-KRWDZBQOSA-N 338.451 2.911 0 50 EFAA O=C(Cn1ccc2ccccc21)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 213213805 HMSQTGKPUXOPBM-HKUYNNGSSA-N 337.467 2.974 0 50 EFAA CC(C)[C@@H](NS(=O)(=O)c1ccccc1)n1nnc2ccccc21 5284891 YRRYDNVUAFHQDM-INIZCTEOSA-N 330.413 2.564 0 50 EFAA O=C(NC1CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 5438402 HFMGPEJGTNPIEX-UHFFFAOYSA-N 336.457 2.679 0 50 EFAA CCCc1ncc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cn1 15062037 AYQCCMFBLSGTNG-HXUWFJFHSA-N 342.487 2.654 0 50 EFAA COc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(OC)c1 16578324 XBDYTJIKTRFOMC-UHFFFAOYSA-N 325.361 2.785 0 50 EFAA CCCCc1nc2cc(C(=O)N(C)CCN3CCOCC3)ccc2o1 19733025 FJROOMURVOPFEK-UHFFFAOYSA-N 345.443 2.575 0 50 EFAA O[C@@H]1CCCN(c2ccc(-c3nc(-c4ccccc4F)no3)cn2)C1 19742027 HURQYNZFWKLCSD-CYBMUJFWSA-N 340.358 2.899 0 50 EFAA CC[C@H]1OCC[C@@H]1C(=O)N[C@@](CC)(C(=O)O)c1ccc(Cl)cc1 1857530669 BFRQMNMHQHHTJV-JJRVBVJISA-N 339.819 2.961 0 50 EFAA CCOCCn1nc(C[C@@H](C)CC)nc1-c1cccc2nn[nH]c12 1857680532 PBXMMGLUKGFHNM-LBPRGKRZSA-N 328.420 2.842 0 50 EFAA CCC[C@@]1(CO)CN(Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1O 1875247877 RXTZJGCWSLTBEV-HOTGVXAUSA-N 347.377 2.931 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCc1cn(C)nc1C(F)(F)F 408474419 VWHMMELOCMRMFT-VXGBXAGGSA-N 333.354 2.506 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)c2ccccc2Oc2cccnc2)C[C@H]1C 225448661 KQYDGIDJQXCYNE-CZUORRHYSA-N 340.379 2.755 0 50 EFAA Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(C)c1 337138463 FWIGCAULXBIEBF-OTWHNJEPSA-N 331.456 2.624 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 348260651 CZVSRBRTJDOFFO-RTBURBONSA-N 342.414 2.835 0 50 EFAA O=C(Nc1cccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1)c1ccncc1 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2.771 0 50 EFAA COc1cncc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c1 932159686 POGASYPFFKXXOE-OAHLLOKOSA-N 339.399 2.502 0 50 EFAA C[C@@H](C(=O)O)C1CCN(C(=O)c2ccc([C@@H]3CCOC3)cc2)CC1 2325813097 LHYUGSIDIPFJMT-CXAGYDPISA-N 331.412 2.763 0 50 EFAA CNc1ncc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2ccccc2)s1 240551574 GUSVMWWBBDIJCH-ZBFHGGJFSA-N 344.484 2.998 0 50 EFAA COc1ccc(-c2csc3ncn([C@@H](C)C(=O)O)c(=O)c23)cc1 65096 MOUVQUVXJSMHBE-VIFPVBQESA-N 330.365 2.779 0 50 EFAA CC(C)COc1cccc(C(=O)NC(=S)NCc2cccnc2)c1 469460 VETLJWGBGLRVCE-UHFFFAOYSA-N 343.452 2.921 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1 2713273 DDTYWIUKDWWZCJ-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cn4ccsc4n3)C[C@H]2C1 2356152819 BPMMFAWPNSTVOY-KPWCQOOUSA-N 332.473 2.587 0 50 EFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2c(F)cccc2F)C1=O 2356168496 GMCVVNRQKYANKK-SFHVURJKSA-N 336.382 2.970 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 4902110 PCPHGFITLOYTLU-UWVGGRQHSA-N 325.386 2.673 0 50 EFAA Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)C2)n1 246999152 NUFCGUNUMPVLLV-RBSFLKMASA-N 338.473 2.742 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 226287460 RXBPXSFKYDHNKH-JTQLQIEISA-N 331.641 2.927 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NCCCN2CCCC2)cc1 55109025 KOOYGJPFSRGYBD-UHFFFAOYSA-N 331.460 2.570 0 50 EFAA Cc1[nH]c2nc(COc3ccccc3)nn2c(=O)c1Cc1ccccc1 101210684 BFAJBTVDKRUORE-UHFFFAOYSA-N 346.390 2.896 0 50 EFAA CCCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 9668931 JFBGKTQPTWIETG-UHFFFAOYSA-N 344.434 2.887 0 50 EFAA CSCC[C@H](CO)NC(=O)c1cc(C)cc(Br)c1 134973171 RPTPPTWEDXHMEL-GFCCVEGCSA-N 332.263 2.601 0 50 EFAA CC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)c(=O)[nH]c1C 55575556 DRXLKBKTOQPPCV-NSHDSACASA-N 342.399 2.614 0 50 EFAA Cc1nc(C)n(C[C@@H](C)C(=O)N(CCN2CCCCCC2)C(C)C)n1 55392767 DMEIMTQRDOJDRS-MRXNPFEDSA-N 349.523 2.644 0 50 EFAA CC(C)n1ncc2cc(CN[C@@]3(CO)CCc4ccccc43)cnc21 135880159 RBYBPNGJMLSGEX-HXUWFJFHSA-N 336.439 2.936 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 348261362 PMOKMDDJBCNAGI-XJKSGUPXSA-N 343.333 2.789 0 50 EFAA CCC[C@H](C)c1n[nH]c2c1CN(C(=O)c1[nH]nc3c1CCC3)CC2 23506206 ZZBYAHAQETVAKK-NSHDSACASA-N 327.432 2.724 0 50 EFAA Cc1cc(C)n(C[C@@H](C)Nc2ncnc3sc4c(c23)CCNC4)n1 65535595 UNPVXMANQADAGE-LLVKDONJSA-N 342.472 2.651 0 50 EFAA Cn1cccc1[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1c1ccco1 252676129 WBJNHBGEZPSDNB-HOTGVXAUSA-N 349.456 2.837 0 50 EFAA NC(=O)c1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 120327827 SHKMSMMHBWSQQK-QGZVFWFLSA-N 347.422 2.908 0 50 EFAA CC(C)(C)c1nc(CC(=O)N[C@H](CO)c2cccc(F)c2)cs1 356372671 YUQBKZGHKIURLX-CQSZACIVSA-N 336.432 2.972 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(O)n1 253556228 GCOASWPGQOSKRW-CVEARBPZSA-N 347.365 2.549 0 50 EFAA O=c1n(Cc2ccccc2)nc(CC2CCNCC2)n1-c1ccccc1 65454185 ZREQHVCOEWFNOT-UHFFFAOYSA-N 348.450 2.624 0 50 EFAA N[C@@H]1CCC[C@@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 363680124 TVJVEZNFUCCJGG-BZUAXINKSA-N 341.480 2.933 0 50 EFAA Cc1nsc(N2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)n1 328587764 HLIAXSRICRKMJA-UHFFFAOYSA-N 344.444 2.542 0 50 EFAA CN(Cc1nnsc1Cl)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328633721 MFEDLUYPOLTYQG-JSGCOSHPSA-N 337.880 2.711 0 50 EFAA Cn1c(=O)oc2ccc(N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 156950083 OBXJTKBZZXHWPW-ZDUSSCGKSA-N 347.415 2.943 0 50 EFAA CCc1ccsc1C(=O)N1CCN(CC)[C@@H](c2nccn2C)C1 328618731 DZLNMWJHVZMJSJ-CQSZACIVSA-N 332.473 2.563 0 50 EFAA C[C@@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)N(C)C 77425660 RYWXGQOJRITUJV-SFHVURJKSA-N 345.531 2.681 0 50 EFAA O=C(CC1CCCCC1)NC[C@H](c1ccncc1)N1CCOCC1 215078717 JDPNMMMYLYBVAC-GOSISDBHSA-N 331.460 2.542 0 50 EFAA O=C(c1cc(NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)ccn1)N1CCOCC1 72148580 BZJKJVZDVFMMPD-OWCLPIDISA-N 327.428 2.568 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)COC(C)C)C2)cc(N2CCCC2)n1 72477850 OPHKEZUKRREOBJ-MRXNPFEDSA-N 346.475 2.516 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 368299347 NTSGZIOHPPYGML-LBPRGKRZSA-N 341.415 2.562 0 50 EFAA Cc1ncoc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 329992025 AJBFNEIIPDUELV-SECBINFHSA-N 328.294 2.745 0 50 EFAA C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1 262167227 PZGDRKXPCZTJLF-HZMBPMFUSA-N 342.351 2.502 0 50 EFAA O=C(c1cc[nH]c(=O)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 131353917 KTWBHRIOUCGZIT-MSOLQXFVSA-N 340.423 2.883 0 50 EFAA CC(C)N1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@H]1C 72163226 OESGCPOAABLZLA-CQSZACIVSA-N 342.491 2.940 0 50 EFAA C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(C(=O)O)cc1 375417541 VCZZOLGRPRVQPV-YVEFUNNKSA-N 325.364 2.849 0 50 EFAA CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2ccnn2C)c2ccccc21 333327187 QKXPYTBXAKVXRJ-BBRMVZONSA-N 333.457 2.626 0 50 EFAA O=C(N[C@H]1CCCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 237893184 HWLOEHFTWWNQBT-ZDUSSCGKSA-N 344.436 2.668 0 50 EFAA CCN1CCN(c2cccc(NC(=O)NCC(F)(F)F)c2)CC1 284596809 BHVBRSJDPXAXDC-UHFFFAOYSA-N 330.354 2.512 0 50 EFAA COc1nccc(CNC(=O)C2(c3ccc(F)cc3F)CCCC2)n1 452737480 IFEYTWKHWVBYOR-UHFFFAOYSA-N 347.365 2.892 0 50 EFAA Cc1cccnc1C[C@@H](C)NC(=O)Cn1c(=O)cc(C)c2ccccc21 71760091 IJPLSUQEJXDFEF-MRXNPFEDSA-N 349.434 2.761 0 50 EFAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1CCc2ccccc21 263305955 FCFNRZGXVWCOGO-QGZVFWFLSA-N 339.391 2.782 0 50 EFAA Cc1cc(N2CC[C@H](Oc3ccncc3)C2)nc(-c2cccnc2)n1 133807365 UHXCNEBELKCXNY-KRWDZBQOSA-N 333.395 2.900 0 50 EFAA CSCc1nc(CCNC(=O)c2n[nH]c3ccccc23)cs1 220148114 TXNCWIZNDBANHQ-UHFFFAOYSA-N 332.454 2.855 0 50 EFAA COc1cncc(-c2ccc(C(=O)NCC[C@H]3CCOC3)cc2)c1 426361844 WHJBLAPLIVEVQL-AWEZNQCLSA-N 326.396 2.914 0 50 EFAA CC(C)S(=O)(=O)CCNC(=O)Nc1ccc(-c2ccco2)cc1 97522307 NKZCXHAVKYAYFO-UHFFFAOYSA-N 336.413 2.891 0 50 EFAA Cc1cc(CC(=O)N2CCCC[C@H]2CCN2CCOCC2)ccc1F 91876940 YNTRPQLBUGNJCR-SFHVURJKSA-N 348.462 2.780 0 50 EFAA CN(Cc1ccc2ncccc2c1)C(=O)NCC[C@H]1CCCN1C 426506660 LYTHZBVSJWVXJK-QGZVFWFLSA-N 326.444 2.861 0 50 EFAA Cc1nccn1-c1ccccc1CN1C[C@]2(CCOC2)CCC1=O 91548336 CUPPWISNVNABJR-LJQANCHMSA-N 325.412 2.710 0 50 EFAA O=C(NCCc1ccccc1)N1CCCN(C(=O)C2CCCC2)CC1 140044822 KJPQHJVKGNSXPA-UHFFFAOYSA-N 343.471 2.663 0 50 EFAA O=C(c1ccco1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91526190 JDGGPQROHNNZPT-MRXNPFEDSA-N 336.395 2.939 0 50 EFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(CCCOc1ccc(F)cc1)C2 91459243 RJXUKKSHSKLRHX-NVXWUHKLSA-N 349.450 2.672 0 50 EFAA O=C(c1ccco1)N1CCC[C@@H](Nc2nccc(-c3ccccn3)n2)C1 97570889 CROGJCXIPJXSCS-CQSZACIVSA-N 349.394 2.848 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cn4ncsc4n3)[nH]n2)o1 91907794 BLICASMBPIUPFX-SECBINFHSA-N 342.384 2.573 0 50 EFAA CN(C)CCCn1ccnc1[C@H]1CCCN(c2ncccc2F)C1 95512715 IAMBVESDPADCPE-HNNXBMFYSA-N 331.439 2.753 0 50 EFAA COc1cnc(CN(C)Cc2nc(-c3cccc(C)c3)no2)cc1O 244884354 YKYQOFOXFVYFCF-UHFFFAOYSA-N 340.383 2.786 0 50 EFAA Cc1cc2ccccc2n1CCN(C)Cc1nc(CN(C)C)no1 244741972 NZWYMLDCXTZNKV-UHFFFAOYSA-N 327.432 2.526 0 50 EFAA COc1ccc2[nH]c(CNC(=O)CSCCN3CCCC3)cc2c1 244778628 PTXFWXWSAVFAKR-UHFFFAOYSA-N 347.484 2.622 0 50 EFAA C[C@]12CC[C@@H]3[C@H](C[C@H](F)[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 257355977 DZRJGNYGUDZEKW-XPZKLPTHSA-N 326.452 2.814 0 50 EFAA O=C(CN1CCCCC1=O)NCc1cc(-c2ccccc2Cl)no1 299800695 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FXMGINSKGORVIP-KSSFIOAISA-N 331.366 2.669 0 50 EFAA O=C(NCCc1c(F)cc(O)cc1F)c1coc2c1C(=O)CCC2 886268216 HXEUMJIPJFZEQV-UHFFFAOYSA-N 335.306 2.755 0 50 EFAA CO[C@@H](C(=O)NCc1cncc(O)c1)c1ccccc1C(F)(F)F 886271420 ILEHZTLJKZTDNA-CQSZACIVSA-N 340.301 2.810 0 50 EFAA NC(=O)[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(C3CC3)cc1F)C2 895005432 WXVONAFIEHUWKY-KXBFYZLASA-N 345.418 2.500 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)[nH]c1C 1775994017 PEKBJZVCDSQULU-INIZCTEOSA-N 329.448 2.718 0 50 EFAA O=C(c1ccc2cc[nH]c2c1)N1CCCN(C[C@H]2CCCCO2)CC1 982036241 GJSNCUQSCQOQBT-GOSISDBHSA-N 341.455 2.885 0 50 EFAA O=C(c1sccc1Cl)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91416913 QLMVJZGTWSBLQL-CHWSQXEVSA-N 342.892 2.568 0 50 EFAA Cc1nc(-c2cccc(N3C(=O)N(C)C4(CCCCC4)C3=O)c2)n[nH]1 278083445 KEXCTFLPWSVOLL-UHFFFAOYSA-N 339.399 2.881 0 50 EFAA COc1ccc2c(c1)OCCC[C@H]2NC[C@H](c1cnn(C)c1)N(C)C 170077855 HKVUQNLVFIVFJU-QZTJIDSGSA-N 344.459 2.535 0 50 EFAA Cc1ccc(NC(=O)c2cn[nH]c2C)cc1C(=O)N1CCCCC1 279164612 GLHSOCLMJDVBDN-UHFFFAOYSA-N 326.400 2.905 0 50 EFAA O=C(NCCCc1nc2ccccc2s1)c1cccc2nn[nH]c12 170602990 VAIJCBFRCIUXRI-UHFFFAOYSA-N 337.408 2.930 0 50 EFAA CCN1CCN(C(=O)COc2cccc(OC)c2)c2ccccc21 171893067 PRWFZZXSZQTCSX-UHFFFAOYSA-N 326.396 2.947 0 50 EFAA CCCC(O)(CCC)CC(=O)NCc1nc(O)c2ccccc2n1 408517763 RQWRECKRLDDOSK-UHFFFAOYSA-N 331.416 2.673 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1OC 225541474 LBFSWXUVBBRBFE-HZPDHXFCSA-N 345.370 2.791 0 50 EFAA CCc1ccc([C@@H]2COCCN2Cc2nccc(OC)c2OC)o1 190584008 NXBYSONZGYLTNY-HNNXBMFYSA-N 332.400 2.828 0 50 EFAA CCn1cc([C@H]2CN(C(=O)c3cc4sccc4[nH]3)CCO2)cn1 192223280 KJTHJVLTEANCAR-CQSZACIVSA-N 330.413 2.660 0 50 EFAA COc1ncncc1NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 192326837 SCRCYJIYRLNJPK-SNVBAGLBSA-N 332.326 2.928 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc2c1OCCCO2 652066246 DLBBYFNJPLBBQG-CYBMUJFWSA-N 333.384 2.707 0 50 EFAA Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@@H](N2CCCC2)C1 195530708 CDLCUTRHILIPMR-UYAOXDASSA-N 343.515 2.602 0 50 EFAA COc1cc(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)ccc1C 663159499 TZQKTMKDAABSJC-LBPRGKRZSA-N 325.372 2.564 0 50 EFAA Cc1nnc(CNS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)o1 1506405036 HPFLTHAPVMVOKE-UHFFFAOYSA-N 337.445 2.771 0 50 EFAA Cn1c(=O)c(CN2CCC[C@]3(CCC[C@H]3O)C2)cc2ccccc21 1704339560 MIOSCRZAXZZTKR-UYAOXDASSA-N 326.440 2.666 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(CCn3cc(Cl)cn3)C1)CC2 1704298479 HSQLLBHBCJCVND-QGZVFWFLSA-N 331.851 2.615 0 50 EFAA CCCC(=O)Oc1c(I)cc(C=O)cc1OC 4807881 NYMHLUWXDVUSNT-UHFFFAOYSA-N 348.136 2.818 0 50 EFAA CC(C)N1C[C@H](CN2CCN(Cc3ccc(F)cc3)CC2)CCC1=O 1775982980 QKJAMNOYLDVTNG-SFHVURJKSA-N 347.478 2.590 0 50 EFAA c1ccc(CC[C@]23CNC[C@H]2CN(C2CSCCSC2)C3)cc1 1772706038 OGSFAIWPFFJWCD-PKOBYXMFSA-N 348.581 2.989 0 50 EFAA COc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 11613972 IEZJXKJETCRTCG-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cc(C)n[nH]2)C1 12297247 AYBYBDRNEZXNOP-CYBMUJFWSA-N 331.391 2.961 0 50 EFAA O=C(Cc1ccncc1)N1CCO[C@@H](Cc2ccccc2Cl)C1 12320518 FPBPJYQQIIWADG-INIZCTEOSA-N 330.815 2.748 0 50 EFAA CCCCN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12437466 FWUUXKWOPIVUCE-MRXNPFEDSA-N 334.435 2.865 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3C)C2)cc1F 12454588 NTZAJRQVAOOZIR-HNNXBMFYSA-N 345.418 2.971 0 50 EFAA CN(C)CCNC(=O)c1ccc(-c2ccccc2)nc1N1CCCC1 14985742 CUYMDLZVDYGIRZ-UHFFFAOYSA-N 338.455 2.640 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cccc(C(F)(F)F)c1)C2 1857668744 DNYJZHNWEGXZKS-DZGCQCFKSA-N 329.318 2.629 0 50 EFAA Cc1nc(N2CCN(Cc3ccc(F)cc3)CC2)c2[nH]ccc2n1 1857703246 NYXIMPISZOTJGG-UHFFFAOYSA-N 325.391 2.728 0 50 EFAA CC[C@]1(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2)C[C@H]2CC[C@@H]1N2 1857738976 HEIFICSVYOKGKM-KLBVCGFUSA-N 328.456 2.771 0 50 EFAA CN(C)c1nc2c(c(-c3ccc([C@@H]4CNC(=O)C4)cc3)n1)CCCC2 1875247471 WRPPVTMVCMHZKH-HNNXBMFYSA-N 336.439 2.692 0 50 EFAA C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)S1=O 331099559 CJQVHLSAALDSCJ-RYUDHWBXSA-N 334.466 2.792 0 50 EFAA CNCCN(C)C(=O)c1occc1CN1c2ccccc2C[C@H]1C 237342614 JPZRLROOSXDTKY-CQSZACIVSA-N 327.428 2.522 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 345626725 YVBCHMAGDQTSNM-ABAIWWIYSA-N 347.317 2.642 0 50 EFAA COc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1OC 247915173 VWAVUHJMSVMUIP-ROUUACIJSA-N 348.487 2.515 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2cccnc2NC(C)C)CC1 375994647 RPMNRYJECJQAEX-UHFFFAOYSA-N 327.432 2.953 0 50 EFAA C[C@@H]1c2ccccc2CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 264404101 IBGVZSJWVFWTMY-KUHUBIRLSA-N 345.464 2.743 0 50 EFAA Cc1ccc(Cl)cc1CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 390833475 IBLFRPDTMHRRTE-CXAGYDPISA-N 338.835 2.738 0 50 EFAA O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1O 1663056497 CCTJIGZHHSIFGC-QGZVFWFLSA-N 343.404 2.557 0 50 EFAA O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1cnn(C2CCC2)c1 901896484 LLOSYKCQVGWHKG-UHFFFAOYSA-N 343.412 2.799 0 50 EFAA Cn1cc(S(=O)(=O)Nc2c(O)cccc2F)c(C2CCCC2)n1 901895142 GGYFWIJPNCTQRZ-UHFFFAOYSA-N 339.392 2.723 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2ncsc2Nc2ccccc2)C1 908599874 XVCZQYPMRSXIBE-LLVKDONJSA-N 331.397 2.824 0 50 EFAA Cc1ccc(CC(=O)N[C@@H](C(=O)O)c2cccc(C)c2C)cc1O 909797200 SJQAIYWVPBZGBX-GOSISDBHSA-N 327.380 2.802 0 50 EFAA COc1cccn2ncc(C(=O)NCCc3csc(C(C)C)n3)c12 929083594 LKXATKFJHSXJPX-UHFFFAOYSA-N 344.440 2.895 0 50 EFAA COc1ccc2c(c1)CCN2C(=O)C[C@@H]1C(=O)Nc2c(F)cccc21 931141051 OAOPRDXEGPPOBL-AWEZNQCLSA-N 340.354 2.849 0 50 EFAA Cc1cc(C(=O)Nc2cc(C)c(C)nc2O)c2c(C)nn(C)c2n1 2100477957 NQRZGDIWIKTOTO-UHFFFAOYSA-N 325.372 2.555 0 50 EFAA Cc1cc(-c2noc([C@@]3(C)CNC(C)(C)C3)n2)ccc1-n1cncn1 2325809281 XZUKWWYNKGFSRE-GOSISDBHSA-N 338.415 2.655 0 50 EFAA CCOC(=O)C1(CNC(=O)[C@@H]2Cc3c(F)cc(C)cc3N2)CCCC1 2325863766 VYXHDRDEMHGDDK-INIZCTEOSA-N 348.418 2.710 0 50 EFAA CCCC(=O)N1CC2(CC)CN(C(=O)CCC)CC(CC)(C1)C2=O 310355 VWAQGFRHGXDZCP-UHFFFAOYSA-N 336.476 2.633 0 50 EFAA biogenic CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 610103 LLKNOUQOCLSAGB-INIZCTEOSA-N 343.383 2.631 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)n(C)n1 2356164345 PLJRJHSJWXLRNP-LJQANCHMSA-N 346.475 2.549 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc(F)c(OC)c3F)C[C@H]21 2356165205 YDDYUKUWFZWQAM-SRBZOADZSA-N 339.382 2.987 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 6697325 DXQSBJNRGTWNMB-CQSZACIVSA-N 346.452 2.964 0 50 EFAA COc1cc(S(=O)(=O)N2CCc3ccccc32)c(OC)cc1C 6729350 SWMAZYUDFXYBOU-UHFFFAOYSA-N 333.409 2.764 0 50 EFAA COc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1 7609881 QEQVTQADRAZEBD-UHFFFAOYSA-N 348.424 2.506 0 50 EFAA CCN(c1ccc(O)cc1)S(=O)(=O)c1cn2c(n1)CCC[C@H]2C 416958143 LOCMTXIZBRQTOO-GFCCVEGCSA-N 335.429 2.701 0 50 EFAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 102723874 ZUGGXLWISAQOOV-NIFZNCRKSA-N 347.484 2.596 0 50 EFAA O=C(NCCCc1ccccc1O)[C@@H]1CCCN(Cc2ccco2)C1 55393279 LWDAJLMLNDTFSS-QGZVFWFLSA-N 342.439 2.946 0 50 EFAA C[S@](=O)CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 247406369 BVYFQASDGWQNRT-PVUDRZGPSA-N 334.268 2.982 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 248136180 OSGQWFXZPRNCAP-HZPDHXFCSA-N 330.428 2.547 0 50 EFAA CC(C)CN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 67817179 BVEJWSSQOCEVOH-HNNXBMFYSA-N 341.455 2.626 0 50 EFAA CCn1c([C@H]2CCCN(Cc3ccc(OC)c(C)c3C)C2)n[nH]c1=O 67755024 QHLZGEMXSKRSQT-INIZCTEOSA-N 344.459 2.596 0 50 EFAA Cc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 20639142 UIROVOQVAUEETI-HXUWFJFHSA-N 340.467 2.553 0 50 EFAA CC(C)c1cc(CN2CCC[C@H](CNC(=O)c3ccc[nH]3)C2)on1 67755570 XSBKROKXLKOFQN-CQSZACIVSA-N 330.432 2.768 0 50 EFAA O=C(O)c1cccc(Br)c1I 62826849 RBFCXOXAEIWXRW-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCn3cncc3C2)c1 151526125 MASXMMINFUZUCC-CQSZACIVSA-N 340.427 2.613 0 50 EFAA CCc1oc(CNc2ccc(F)c(NC(N)=O)c2)cc1C(=O)OC 353743042 WTDOGBDWZWILQH-UHFFFAOYSA-N 335.335 2.870 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)cn1 252498560 REVSZYVJRACPQP-GFCCVEGCSA-N 349.479 2.917 0 50 EFAA CC(C)Cc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)n[nH]1 23129363 XDDDLPYBTYBZTA-FQEVSTJZSA-N 348.535 2.810 0 50 EFAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)C1(c2ccc(Cl)cc2)CC1 354499779 CZSSRAOHLGJIGJ-ZACQAIPSSA-N 349.858 2.760 0 50 EFAA C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)C[C@@H](c2ccccc2)O1 229881890 QLQHVJCCQCSGED-KXBFYZLASA-N 340.423 2.513 0 50 EFAA COC(C)(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67880463 WGUCNRHARRMEER-ZWKOTPCHSA-N 327.424 2.942 0 50 EFAA O=C(NC1CCCC1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77378599 GRLAKIQIQGKWMD-CQSZACIVSA-N 327.388 2.921 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)CCC1 355447393 SRICZBPSKIORCJ-BHIYHBOVSA-N 343.467 2.805 0 50 EFAA O=C([C@@H]1CCCNC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 122109714 INPWSENWROCDNB-SJLPKXTDSA-N 344.480 2.810 0 50 EFAA COC(=O)c1cncnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 253415474 GJTOKBOXNIMNGN-GOEBONIOSA-N 327.384 2.843 0 50 EFAA CO[C@@](C)(C(=O)N=c1[nH][nH]c2cc(F)ccc12)c1ccccc1F 430165978 DJLHMIPMNMMCDY-QGZVFWFLSA-N 331.322 2.763 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@H]1c1noc(C2CC2)n1)c1ccco1 257366398 WIAFNNROWXTRKX-YPMHNXCESA-N 330.388 2.554 0 50 EFAA CC[C@H]1CCCCN1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67910038 URGQBRWSZYJJTC-HNNXBMFYSA-N 330.476 2.881 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[nH]1 361055337 WIBDZGONAQWLEY-INIZCTEOSA-N 336.395 2.845 0 50 EFAA COc1cc(CN(C(=O)c2ccc(O)nc2C)C2CC2)ccc1O 153717168 YECZVSRUKBFMCO-UHFFFAOYSA-N 328.368 2.615 0 50 EFAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(C(=O)O)s1 362536623 XTQNGWHWEDRSLV-JOCHJYFZSA-N 337.422 2.886 0 50 EFAA Cc1cc2cc(C(=O)N3CCNC[C@@H]3c3nccn3C)oc2cc1C 261754539 PNSOKELAPIRUNN-OAHLLOKOSA-N 338.411 2.570 0 50 EFAA O=C1C[C@]2(CCN(Cc3cccc(Oc4ccccc4)c3)C2)C(=O)N1 77357356 JGCMYMVHJXYJLR-FQEVSTJZSA-N 336.391 2.718 0 50 EFAA CN1CCC(n2ccc(NC(=O)c3cccc(-n4cccc4)c3)n2)CC1 373226576 CVOVSTDZCRBHCS-UHFFFAOYSA-N 349.438 3.193 0 50 EFAA O=C(O)c1cccc(CC(=O)N2CCOC[C@@H]2c2ccccc2)c1 262253690 ZQQLUBZIISNLMR-QGZVFWFLSA-N 325.364 2.527 0 50 EFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 72148294 DLEIXQFOQICNLT-CQSZACIVSA-N 348.516 2.718 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3c(C)noc3C)C2)c1 77471441 BNAODHDSEMMLBG-ZDUSSCGKSA-N 330.384 2.938 0 50 EFAA O[C@@H](CN1CC[C@H](c2nc(C3CC3)no2)C1)c1c(F)cccc1F 375474549 ZVNYYTXBTLJUJV-FZMZJTMJSA-N 335.354 2.748 0 50 EFAA Cc1ncnc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c1C 72171522 QVOAPTUKQYILNR-INIZCTEOSA-N 340.427 2.946 0 50 EFAA COC(=O)c1cc(N2CCC[C@H](COc3cccc(C)c3)C2)ncn1 77358360 HYXVCLNEFCXYPE-HNNXBMFYSA-N 341.411 2.867 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)nc2ccccc12 245446218 ZPGLRZNVRIVONC-IAGOWNOFSA-N 347.484 2.726 0 50 EFAA O=C(N[C@@H]1CCCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 238126554 HWLOEHFTWWNQBT-CYBMUJFWSA-N 344.436 2.668 0 50 EFAA CS(=O)(=O)CC1(CN2CCC(c3ccc(F)c(F)c3)CC2)CC1 241564235 OSNJPFMWSYTIGD-UHFFFAOYSA-N 343.439 2.969 0 50 EFAA C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)[C@H]1CCCN1C(=O)C1CC1 241784878 RXMDFUAXAHHPGT-DAXOMENPSA-N 332.469 2.854 0 50 EFAA CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1 245897839 DGCQWQLUMNDBTB-YHUYVZNPSA-N 339.483 2.698 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)c1cc(C(F)(F)F)n[nH]1 339348838 VPDOCIXLFJZNRB-UHFFFAOYSA-N 335.289 2.544 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1C(=O)CCOCc1ccccc1 177179333 CTUBYVHPOVBZHY-SFHVURJKSA-N 327.428 2.789 0 50 EFAA Cc1ccccc1OC1CN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 82121975 OUEPGMFOVANHFR-UHFFFAOYSA-N 336.395 2.627 0 50 EFAA O=C(NCCc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCN1 426407463 AVQKNUWPDFHGGZ-ZDUSSCGKSA-N 330.259 2.977 0 50 EFAA COCCCN1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)CC1 91416697 PSJVWZPRTUJREZ-UHFFFAOYSA-N 329.444 2.579 0 50 EFAA O=C(c1ccco1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 95365411 YGTKWZKNETYSMG-MRXNPFEDSA-N 336.395 2.939 0 50 EFAA Cc1ccsc1[C@@H](CNC(=O)c1cc(C(F)(F)F)[nH]n1)N(C)C 97575035 WDZZLWZFISGVRT-SNVBAGLBSA-N 346.378 2.831 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 244605577 FBDHCIPTJCJXPJ-ZACQAIPSSA-N 347.455 2.864 0 50 EFAA CC(C)c1noc(C2CCN(Cc3noc([C@H]4CCCO4)n3)CC2)n1 244734854 NNAHWZNOVXMTJG-CYBMUJFWSA-N 347.419 2.807 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(SCCO)cc1 244734281 NCQNEDOYBODQIN-NSHDSACASA-N 333.457 2.612 0 50 EFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccnc2ccccc12 244873104 WKDBOCFYKDOTBK-NBQZKYEYSA-N 347.418 2.742 0 50 EFAA COc1ccc(CC(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)cc1 253408329 KQAXLJWXKSXUCN-PKOBYXMFSA-N 330.472 2.961 0 50 EFAA biogenic CCOc1ccccc1N1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 184169439 AMHLZKPRKYTPEJ-UHFFFAOYSA-N 340.427 2.648 0 50 EFAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CCC(F)(F)F 299747017 BVNRSJITBZSJPS-ZIAGYGMSSA-N 340.345 2.532 0 50 EFAA COCC1=CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 185642696 UZPPXWKOSHQIQN-APWZRJJASA-N 343.471 2.638 0 50 EFAA O=C(O)c1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)o1 872163025 SXZFGRZPOCYLFB-GJZGRUSLSA-N 327.380 2.992 0 50 EFAA CCOCc1cccc(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1 1875279823 GHGONMWPDWHNTP-UHFFFAOYSA-N 346.452 2.969 0 50 EFAA O=C(NC[C@@H]1CCCN1c1ccccc1)Nc1ccn2ncnc2c1 1875321863 YPWRVEKQQMFOOK-INIZCTEOSA-N 336.399 2.520 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NCCCn3ccnc3)C(C)(C)[C@@H]21 1875307894 VVGZQJCIUSMUIC-BZUAXINKSA-N 348.491 2.897 0 50 EFAA Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 1875324766 MCZIPOQRIPJIRA-ZDUSSCGKSA-N 337.379 2.758 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NCc2nn(C)c(C)c2Cl)cn1 888099389 XBAKJWBGTOSYRV-DZGCQCFKSA-N 337.855 2.688 0 50 EFAA CCO[C@]1(c2nnc(-c3c(F)ccc(OC)c3F)o2)CCOC1 886082202 KHFJVFHXMAQTIM-OAHLLOKOSA-N 326.299 2.676 0 50 EFAA C[C@H]1CC(=O)N[C@@H](C(=O)N(Cc2ccncc2)Cc2cccs2)C1 889488481 MIMGPDIYDMOBSG-CZUORRHYSA-N 343.452 2.587 0 50 EFAA Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1 163865139 GJWGPIMMVBKXLG-AWEZNQCLSA-N 343.408 2.669 0 50 EFAA O=C(N[C@H](CC1CC1)c1ccccc1)N1CC(N2CCCC2=O)C1 893255423 ISWPOAZXJIKLER-QGZVFWFLSA-N 327.428 2.544 0 50 EFAA CCCOc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)cc1Cl 1565511430 GJONBVGMHRZAHI-ZFWWWQNUSA-N 327.808 2.663 0 50 EFAA Cc1occc1C(=O)Nc1cc(NC(=O)C2(C(=O)O)CC2)ccc1F 165020942 KAYQIXMXSYKFSC-UHFFFAOYSA-N 346.314 2.783 0 50 EFAA CSCCc1nc(-c2cc(-c3ccccc3)no2)n(CC(=O)O)n1 97514440 CMHMRYFFKALWJF-UHFFFAOYSA-N 344.396 2.590 0 50 EFAA C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 408445632 AVHTXGLSOLQVOR-HTQZYQBOSA-N 337.775 2.859 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 225361732 XTWNSSLULCMLMZ-AAJLLMFJSA-N 344.455 2.733 0 50 EFAA O=C1CN(S(=O)(=O)c2cc3ccccc3o2)c2ccccc2N1 170599542 JBQXAMCRXFSONZ-UHFFFAOYSA-N 328.349 2.580 0 50 EFAA O[C@@H](Cn1ccnc1I)c1ccc(Cl)cc1 170595829 GYAREDDQLBJYOX-JTQLQIEISA-N 348.571 2.875 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC[C@@H](Cc3nccn3C)C2)cc1 170604507 SPUGXXRPTQRDEY-HNNXBMFYSA-N 347.484 2.673 0 50 EFAA O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ncc(F)cn2)C1 280117040 AHIINGOMOWKDTM-GXFFZTMASA-N 327.281 2.947 0 50 EFAA O=C(CN1CSCC1=O)Nc1cccc(Cl)c1Br 192276975 YXXZHCMQMPAZDL-UHFFFAOYSA-N 349.637 2.574 0 50 EFAA Cc1oc(Br)cc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@@H]12 711610581 BTSSKJVJAYGVHJ-QMTHXVAHSA-N 342.189 2.820 0 50 EFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccncc1C(F)(F)F 194559371 HZSPSAJYYPNXFZ-QMTHXVAHSA-N 346.374 2.885 0 50 EFAA CC[C@@H](NC(=O)NCc1cc2c(nc1O)CCC2)c1c(C)noc1C 677476615 WVUAFNSRWQNCLX-CQSZACIVSA-N 344.415 2.831 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2nc3ccccc3nc2C)C1 779870994 JSEHLHWAABFTTH-IUODEOHRSA-N 325.372 2.596 0 50 EFAA O=C(O)CCCCNC(=O)Cc1ccc(F)c(Br)c1 238175835 ANTPTYNHGFEHRA-UHFFFAOYSA-N 332.169 2.502 0 50 EFAA Cn1ccnc1CCN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1616078007 MHPPONMOEDGTBU-UXHICEINSA-N 335.451 2.966 0 50 EFAA COc1cccc(OCc2cc(C(=O)NCc3ccccn3)no2)c1 11661333 ATVBNSBYCITAQJ-UHFFFAOYSA-N 339.351 2.587 0 50 EFAA O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NC1CC1 12112331 YNMWXXXMMRUHES-OAHLLOKOSA-N 344.455 2.729 0 50 EFAA COCCCNc1ncnc2sc(C(=O)NCC3CC3)c(C)c12 15067539 QKFDVMHRDZIFKZ-UHFFFAOYSA-N 334.445 2.588 0 50 EFAA COc1ncc(-c2nc3c(OC)cccc3cc2Cn2cccn2)cn1 19219816 FERHYKPPMCPHNG-UHFFFAOYSA-N 347.378 2.954 0 50 EFAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](N3CCCC3)C2)s1 19853189 NFJUMPWYOVKCTM-GFCCVEGCSA-N 328.913 2.923 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)CC3COCCOC3)c2)n1 1857682480 LAOMUMICKDTTFH-UHFFFAOYSA-N 329.444 2.584 0 50 EFAA Cc1cc(Br)cc(C(=O)NCCn2cnnc2C2CC2)c1 134387309 JQNGMTGQUMLWHK-UHFFFAOYSA-N 349.232 2.656 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCCOC2)C1 329133981 BLVMBKHDBXRPBA-KRWDZBQOSA-N 338.835 2.793 0 50 EFAA CCCn1nccc1NC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 225542946 KQKBUJFZMNRQDX-CYBMUJFWSA-N 340.786 2.941 0 50 EFAA CN(Cc1cccc(N(C)C)c1)Cc1c(O)nnn1-c1ccccc1 120634753 IXYPTUVOCYOORC-UHFFFAOYSA-N 337.427 2.671 0 50 EFAA CCCN(C(=O)c1cnn2ccncc12)[C@H]1C[C@H](OCC)C1(C)C 329657227 NBTUVEMDPQHMEO-HOTGVXAUSA-N 330.432 2.785 0 50 EFAA C[C@]1(C(=O)O)CCCN1Cc1nn(-c2ccccc2)c2c1CCC2 652481439 OUZOBGFKHAMMAD-LJQANCHMSA-N 325.412 2.800 0 50 EFAA Cc1nn(C)c(C)c1CCNC(=O)N1Cc2ccccc2OC[C@@H]1C 242389344 ZWIQDIMBTPJTDV-ZDUSSCGKSA-N 342.443 2.572 0 50 EFAA CN1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)c2ccccc21 663110339 DWLWNSLGNZHADY-UHFFFAOYSA-N 340.379 2.637 0 50 EFAA COCCn1cc(CNC(=O)N2CCC(C)(C)CC(C)(C)C2)cn1 664821630 FHOQGZSBLCWFAB-UHFFFAOYSA-N 336.480 2.887 0 50 EFAA COc1cccc(-c2cc(NC(=O)c3cnn(CCF)c3)n(C)n2)c1 355444600 MQWPAQURQFYCBF-UHFFFAOYSA-N 343.362 2.514 0 50 EFAA COc1ncc(Cl)c(NCc2ccccc2-c2cnn(C)c2)n1 374331806 QMVRVONGSCNNLU-UHFFFAOYSA-N 329.791 3.151 0 50 EFAA CO[C@@H](C(=O)N1CC=C(c2ccccc2F)CC1)c1cnn(C)c1 376145942 CDMNONSGKYJWGN-QGZVFWFLSA-N 329.375 2.563 0 50 EFAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1sc2ccccc2c1Cl 263274614 XWFSSWYHHSBKII-ZETCQYMHSA-N 333.818 2.648 0 50 EFAA CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)ccn1C 843985268 QJGQGSKUBIWPFB-ZDUSSCGKSA-N 340.427 2.608 0 50 EFAA O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1cccc2ccccc12 910619101 SVGJYHMUIMFZAN-RDYUPDBUSA-N 339.391 2.982 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(c2cnc(-c3ccccc3)cn2)CC1 813601756 BPQJRAHXCGCAFQ-SFHVURJKSA-N 335.411 2.817 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)ncn1 822911697 XPOLKVNCLWOQQA-CYBMUJFWSA-N 333.338 2.611 0 50 EFAA CCc1noc(COCC(=O)N2CCc3ccccc3C(C)(C)C2)n1 824827265 ZVZVZKWDJPDXCY-UHFFFAOYSA-N 343.427 2.511 0 50 EFAA O=C(NCC(=O)N1CCCCCC1)c1ccc(Br)cc1 4832371 XYGGCTCCUZCVRM-UHFFFAOYSA-N 339.233 2.582 0 50 EFAA Cc1cc(Br)c(C(=O)O)cc1NC(=O)[C@H]1CCCCO1 312489379 VXNJKSYWMFGRGE-GFCCVEGCSA-N 342.189 2.963 0 50 EFAA COc1ccc(NC(=S)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 1069128 ZAMJMKKERKSZIM-AWEZNQCLSA-N 347.484 2.726 0 50 EFAA CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100482522 FYAJQTAUGIJPER-WNKDZCFJSA-N 325.412 2.698 0 50 EFAA CCOc1ccc([C@H](COC)Nc2ncc3c(n2)CCOC3)cc1 2325775499 ZHMNCISTNWNBSB-KRWDZBQOSA-N 329.400 2.748 0 50 EFAA COC(=O)c1cc(CNCCCn2ccnc2)cc(C(F)(F)F)c1 2325779064 DOWBNHGNLZFXQK-UHFFFAOYSA-N 341.333 2.868 0 50 EFAA CN1C(=O)CN(c2oc(-c3ccccc3)nc2C(F)(F)F)[C@H]2C[C@H]21 2325784211 ILVXUNDNASOXCF-MNOVXSKESA-N 337.301 2.780 0 50 EFAA Cc1cnc2ccc(C(=O)N3CCC(CN)(c4ccccc4)CC3)cn12 2325787471 BHKHMDWYRBTNGS-UHFFFAOYSA-N 348.450 2.775 0 50 EFAA Cc1nccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3F)C2)c1N 2325811378 ULOXBBXNWHUMLX-GFCCVEGCSA-N 346.381 2.507 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 176270 DIPYKFHAIZSMGP-KRWDZBQOSA-N 344.455 2.779 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1 421269 MFVJMZXQECMNGT-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA O=C1OC[C@H]2CN(Cc3cnc(-c4cccc5ccccc45)nc3)C[C@@H]12 2356153329 BHBCYFSBCWABGS-VQIMIIECSA-N 345.402 2.902 0 50 EFAA COc1ccc(CC(=O)N2CCC(OC(F)(F)F)CC2)cc1F 2356154140 JLNUEHZJIIFYFX-UHFFFAOYSA-N 335.297 2.904 0 50 EFAA CSc1ncccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 2356164036 BQACQWZIYONTTD-NMWPEEMBSA-N 333.501 2.994 0 50 EFAA Cc1noc(C)c1CN1CCc2nc(Cc3ccccc3)nn2CC1 2356165767 NGJJBJGLBMMYDC-UHFFFAOYSA-N 337.427 2.532 0 50 EFAA COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Br 4525207 BTPTXGDBHNIKTD-UHFFFAOYSA-N 349.184 2.809 0 50 EFAA Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccc(F)cc1Cl 4934114 HVHGSZCFMXOWNL-UHFFFAOYSA-N 345.765 2.953 0 50 EFAA COc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708164 ABBKROYECZTOQR-UHFFFAOYSA-N 346.408 2.623 0 50 EFAA CC[C@@H]1CN(CCn2cccn2)CCN1CCO[C@@H]1CCCC[C@H]1C 247995256 AXRNKNGGPIADHV-VAMGGRTRSA-N 348.535 2.875 0 50 EFAA COC(=O)N1C[C@H]2[C@H](CN3CCC4(C=Cc5ccccc54)CC3)[C@H]2C1 102208343 PKROMGDORWELOT-NNZMDNLPSA-N 338.451 2.991 0 50 EFAA OC[C@@H]1CCCCN1CCCNCc1c[nH]nc1-c1ccc(F)cc1 55341924 KARZKHGEZFXXTA-SFHVURJKSA-N 346.450 2.542 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 248838167 NITBMCBDVAIMSG-JTDSTZFVSA-N 345.487 2.621 0 50 EFAA CN(C)[C@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 65395205 MQKOJXNAJKOFME-SFHVURJKSA-N 344.434 2.564 0 50 EFAA CC1=CCC[C@H](C)[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1 252519008 AQQDEGWMFORTGX-RDJZCZTQSA-N 328.460 2.663 0 50 EFAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CC[C@](C)(O)C1 252537734 MDYTXTCRJPBOKC-SFHVURJKSA-N 342.399 2.911 0 50 EFAA C[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1 67631116 DWGQGZYQENAHFX-NSHDSACASA-N 340.379 2.523 0 50 EFAA COCc1cn(C2CCN(C(=O)c3cc(C)ccc3C)CC2)nn1 23153683 ATOHISAKPJQAAP-UHFFFAOYSA-N 328.416 2.519 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H](c2ccsc2)O1 119484416 FUYXDLYAFKNDQE-XOKHGSTOSA-N 330.453 2.607 0 50 EFAA CCc1noc([C@@H](C)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 229395843 NAROBLWFHNDCNI-BXUZGUMPSA-N 347.394 2.728 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 5029012 ZDLBXKNPRSTYQW-QGZVFWFLSA-N 340.335 2.556 0 50 EFAA CC(=O)Nn1c(S)nc2sc(C)c(-c3ccccc3)c2c1=O 6527012 SXQZZMNNONUMFW-UHFFFAOYSA-N 331.422 2.812 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OC 6738567 RKNULNDLGFAAEL-GOSISDBHSA-N 340.379 2.860 0 50 EFAA Fc1ccc(-c2cc(CNc3ncnc4c3CCNCC4)on2)cc1 72425482 NFEDTHQEBZYACB-UHFFFAOYSA-N 339.374 2.571 0 50 EFAA Cc1nc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)no1 215672523 HKDQONMMQGJSHL-HNNXBMFYSA-N 348.472 2.609 0 50 EFAA C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Cn1ccnc1 153732426 PPDYQZWQCDYHRO-GFCCVEGCSA-N 343.818 2.993 0 50 EFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1cc(C3CCCCC3)no1)C2 72172705 BQGZEKTUNDHIEK-MJGOQNOKSA-N 347.459 2.751 0 50 EFAA COc1cc(CN[C@@H]2C[C@H](N)c3ccccc32)cc(OC)c1OC 261657972 KJSUQHCSSUDRHP-JKSUJKDBSA-N 328.412 2.947 0 50 EFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ncccc2O)C1 72145445 DCAZEMDSMOZSDT-QGZVFWFLSA-N 339.439 2.566 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)n(C)n2)n1 218790792 AFLMRPORKGTDEM-LBPRGKRZSA-N 342.428 2.552 0 50 EFAA CCN1C[C@]2(CCCN(CCOc3ccc(OC)cc3)C2)CCC1=O 72431628 FYWGFGGXBYPVLB-HXUWFJFHSA-N 346.471 2.799 0 50 EFAA c1cn2c(CN3CCC(c4ncc5n4CCCC5)CC3)cnc2cn1 333251882 KLGMZGIRGPMYFP-UHFFFAOYSA-N 336.443 2.642 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(F)c1 39413266 MXLYAIRFZVNUPP-QGZVFWFLSA-N 336.451 2.646 0 50 EFAA CS(=O)(=O)c1cc(-c2nc(COc3ccccc3)no2)cs1 158187187 BMONSARFEXWJAT-UHFFFAOYSA-N 336.394 2.781 0 50 EFAA CN(CCc1cn[nH]c1)c1cc(-c2ccc(F)cc2)nc2ccnn12 72479540 BNFVJQVZAAPROQ-UHFFFAOYSA-N 336.374 2.937 0 50 EFAA COc1ccc(F)c(-c2nc(CN3CC[C@@H](NC(C)=O)C3)c(C)o2)c1 71745950 XEOSKDQUAJWLFU-CYBMUJFWSA-N 347.390 2.508 0 50 EFAA CC1(CO)CN(Cc2cc(Br)ccc2OC(F)F)C1 459622678 QFEVPRBECVQVQB-UHFFFAOYSA-N 336.176 2.865 0 50 EFAA Cc1nnnn1CCCN1CCC[C@@H](CCc2ccccc2F)C1 72151879 NVKDEPQCVAAZNF-INIZCTEOSA-N 331.439 2.856 0 50 EFAA CC(=O)N[C@@H]1CN(c2ccc(C(C)=O)cn2)C[C@H]1c1ccc(C)cc1 77287943 DLPYOVJBEMODOO-RBUKOAKNSA-N 337.423 2.701 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 286323507 OANBJSWLBAQORX-QRVBRYPASA-N 331.456 2.624 0 50 EFAA CCCc1n[nH]cc1C(=O)N1CCCN(CC2CC2)[C@H](C(C)C)C1 71751180 PMQAQDWNQFDFIM-SFHVURJKSA-N 332.492 2.945 0 50 EFAA CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 239539264 AVZQCNFPGAVPLJ-YESZJQIVSA-N 335.469 2.607 0 50 EFAA CN(C)CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 337256871 SMZWGYMOHVUHCQ-UHFFFAOYSA-N 349.438 2.676 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)n(C)n1 82106841 BBSYKVXHBOCQGM-HNNXBMFYSA-N 340.427 2.674 0 50 EFAA COc1ccc(NCc2nnsc2Cl)cc1N1CCOC1=O 133692750 BQRRWUAAGWKTFJ-UHFFFAOYSA-N 340.792 2.769 0 50 EFAA Cc1c(NC(=O)C[C@H]2CCCC(=O)N2)cnn1-c1ccc(Cl)cc1 289190642 QPIXJRLFOKXKCW-CYBMUJFWSA-N 346.818 2.831 0 50 EFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2ccccc2C)n1 289235154 YYRBSZIZPOAQIN-OAHLLOKOSA-N 328.416 2.556 0 50 EFAA O=C(NC[C@@H](O)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1 47430686 NXSPBLOCCMXVMH-QGZVFWFLSA-N 325.343 2.679 0 50 EFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccccc1NCc1ccccn1 426371005 MTCNZXMQOIBZLA-QGZVFWFLSA-N 339.395 2.773 0 50 EFAA Cc1c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)ccn1C 194970053 VEUNNUSNTSYJSJ-UHFFFAOYSA-N 331.847 2.945 0 50 EFAA CN(C)C1(Cn2ccnc2-c2ccc(-c3cc[nH]n3)o2)CCOCC1 82138489 JLLOJYYSVSJXPA-UHFFFAOYSA-N 341.415 2.644 0 50 EFAA CC(=O)c1csc(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)n1 291092938 IBAYCVDTFRSLNN-LLVKDONJSA-N 333.388 2.950 0 50 EFAA COc1cccc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c1C 426620038 MQOHDITWTMBEKN-DKSSEZFCSA-N 333.428 2.802 0 50 EFAA COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 182016319 DUWRFEPURYWZBI-ZWNOBZJWSA-N 325.792 2.869 0 50 EFAA CO[C@](C)(C(=O)N[C@@H](C)c1ccc(Br)cn1)C1CC1 293434252 UVEOPRHURXYGSY-XPTSAGLGSA-N 327.222 2.836 0 50 EFAA COc1cccc(OC2CN(C(=O)[C@@H]3CCc4ccccc4O3)C2)c1 91694062 JWKQZEVXAUNGPV-IBGZPJMESA-N 339.391 2.679 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCO4)C2)no1 426386934 QUZPHNXERJJOOC-OAHLLOKOSA-N 327.384 2.723 0 50 EFAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1 180569210 MUVZVIAPUDJRGM-OAHLLOKOSA-N 330.428 2.565 0 50 EFAA CC(C)n1ccnc1C1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 91620701 XGYNPEVOTNDTHP-SFHVURJKSA-N 341.455 2.774 0 50 EFAA Cc1csc([C@H](C)N(C)C(=O)c2coc(CN3CCOCC3)c2)n1 97475568 DTTPMGWPDRYBTJ-ZDUSSCGKSA-N 349.456 2.710 0 50 EFAA CN(C)Cc1ccccc1CNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95390117 CSSHWMJOFKJYQH-IBGZPJMESA-N 343.446 2.806 0 50 EFAA CN(Cc1cccnc1Cl)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 91645409 GFWIEIGIMXGZBH-AWEZNQCLSA-N 349.862 2.875 0 50 EFAA COCC1(C(=O)NCCOc2cccc3ccc(C)nc23)CCC1 97172848 PANKZHTWKLXFLC-UHFFFAOYSA-N 328.412 2.855 0 50 EFAA COc1ccccc1N1CCN(CCC(F)(F)C(F)F)CC1=O 91707208 AZEBGMGXZCKSHJ-UHFFFAOYSA-N 334.313 2.634 0 50 EFAA CCN(CCCOc1ccc(C(N)=O)cc1)[C@@H]1CCOC(C)(C)C1 244900018 ZUNJRZFLEAQIHI-MRXNPFEDSA-N 334.460 2.834 0 50 EFAA CC(C)c1nc(CCN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cs1 182762481 QIRNSSZQDOIJIH-ZIAGYGMSSA-N 330.519 2.754 0 50 EFAA Cc1ccc(C)n1CC(=O)NCCn1cnc2cc(Cl)ccc21 253412784 RZVRTVLJKJRRDT-UHFFFAOYSA-N 330.819 2.924 0 50 EFAA O=C(CSCC1CC1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 299789524 YXVKTPLIFBLZSL-MRXNPFEDSA-N 334.485 2.616 0 50 EFAA CCc1nccn1CCC(=O)NCc1nc(C2CCCCC2)no1 299790145 ATLSWGSVWVFBLF-UHFFFAOYSA-N 331.420 2.583 0 50 EFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)cc(C)c1)C2 299786778 NNNSZMYTRKHUCY-UHFFFAOYSA-N 326.444 2.542 0 50 EFAA CN(C[C@]1(c2ccccc2)CC1(C)C)c1nc(N)c2cnn(C)c2n1 823741554 UCEQDYDLCAKSGD-IBGZPJMESA-N 336.443 2.750 0 50 EFAA COCc1nc(C)cc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 269898687 SOVYZDSSBRJGJE-WFASDCNBSA-N 335.354 2.522 0 50 EFAA CC(C)c1nc([C@H]2CN(c3ncnc(N)c3Cl)C[C@@H]2C2CC2)n[nH]1 685941015 NURLFHHJRUZZEP-MNOVXSKESA-N 347.854 2.584 0 50 EFAA COc1cc(Br)cc(N[C@H](C)C2(O)CCOCC2)c1 1875285192 GELPMECFUDOVQS-SNVBAGLBSA-N 330.222 2.800 0 50 EFAA CCc1ccsc1C(=O)N1CC[C@@H]2CC[C@@]21c1nnc(COC)o1 1875404865 YOMALTHQVLTGRB-SJCJKPOMSA-N 347.440 2.991 0 50 EFAA COC[C@H](O)CN[C@H](C)c1cc2cc(Br)ccc2[nH]1 952833113 JMRICFJGWZTRNT-BXKDBHETSA-N 327.222 2.588 0 50 EFAA Cc1c[nH]cc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848652 QFGZCYGZRPAHIX-CABCVRRESA-N 325.416 2.584 0 50 EFAA COC(=O)c1ncoc1CNC(=O)COc1cc(C)ccc1C(C)C 952993013 ACQLFQAHJBBYKT-UHFFFAOYSA-N 346.383 2.588 0 50 EFAA C[C@H]1CN(c2cc(Cl)ccc2Cl)CCN1C[C@@H]1CNC(=O)C1 888096935 SAFQYQLLTFOTDO-RYUDHWBXSA-N 342.270 2.640 0 50 EFAA Cn1nccc1[C@H](O)CNC(=O)c1ccc(C2CCCCC2)cc1 886261353 SLGDZZWDGSHYFL-GOSISDBHSA-N 327.428 2.931 0 50 EFAA Cc1nn(CC2CC2)c(C)c1CC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 889010704 WAPAIZIDVWRXIF-MSOLQXFVSA-N 341.459 2.559 0 50 EFAA COc1c[nH]nc1NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1771958306 LTMUBBVBEMBDLV-GOSISDBHSA-N 345.399 2.772 0 50 EFAA O=C1NCC2(CCN(c3nccc4occc34)CC2)Oc2ccccc21 895580471 JMSGAZZAARUBMD-UHFFFAOYSA-N 349.390 2.989 0 50 EFAA C[C@@H]([C@H]1CCCCN1Cc1ccsc1)N1CCCS1(=O)=O 1775991120 HLPMOIOAEGYYKA-DZGCQCFKSA-N 328.503 2.527 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](Nc3nnc(CC)c(CC)n3)C2)o1 1775958046 ZISDIODVVPEPRC-NEPJUHHUSA-N 330.436 2.765 0 50 EFAA CC(C)c1csc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)n1 1565514792 MORWEHVTDIGVCE-JSGCOSHPSA-N 347.440 2.628 0 50 EFAA NCCCN1C(=O)CC[C@@H]2CN(C/C=C/c3ccc(F)cc3)CC[C@@H]21 1565514733 XKJBSBNZGMRFKT-WQZOWCSDSA-N 345.462 2.501 0 50 EFAA CC(C)(C)OC(=O)n1nc(I)c2cccnc21 89224464 OKKLWSNHFSFXEM-UHFFFAOYSA-N 345.140 2.819 0 50 EFAA in-vitro CCC(=O)N1CC[C@H](c2nc(-c3ccc(N(C)C)c(F)c3)no2)C1 273799595 IWOMRKQZZYUIQY-LBPRGKRZSA-N 332.379 2.668 0 50 EFAA CCOc1cc(N2CC[C@H](n3c(C)nc4c3CCCC4)C2)ncn1 275534810 ZCTHMEZPIQDLAD-AWEZNQCLSA-N 327.432 2.710 0 50 EFAA Cn1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n1 170592478 QTCHXLQFALIWAP-CYBMUJFWSA-N 337.387 2.574 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)c2c(Cl)nc3ccccn23)n[nH]1 408469321 DWBFSRGQMUKRHY-NSHDSACASA-N 344.806 2.782 0 50 EFAA Cc1csc([C@@H]2COCCN2C(=O)c2ccc3[nH]cnc3c2)n1 189239760 KDJKWZWMOQIPLQ-AWEZNQCLSA-N 328.397 2.542 0 50 EFAA Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(=O)O)cs1 191361200 QTPTWHMZRSCGKQ-UHFFFAOYSA-N 329.328 2.836 0 50 EFAA CSc1ccc(NS(=O)(=O)c2cccc3c2OCCC3)nc1 650453248 DOKJHDGGLPQAHS-UHFFFAOYSA-N 336.438 2.929 0 50 EFAA CC(C)Oc1ncc(C(=O)N2CC3CCC2(CN)CC3)cc1Cl 653168442 AEZYKXNUWAHZHX-UHFFFAOYSA-N 337.851 2.866 0 50 EFAA O=C1CN(C(=O)[C@H]2CCCC3(CC3)C2)CCN1Cc1cccc(F)c1 669172672 GSRQZFUADALFAV-INIZCTEOSA-N 344.430 2.967 0 50 EFAA Cc1c(NC(=O)NC[C@@]2(C)CCOC2)cnn1-c1ccccc1F 676446003 DITNTAQGWJYIMI-QGZVFWFLSA-N 332.379 2.868 0 50 EFAA CC[C@H](Nc1cncc(C(=O)N2CCCC2)n1)c1cc(C)ccn1 1704337153 XHZMEHSMKHFBSP-AWEZNQCLSA-N 325.416 2.979 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NCc1cccn2nccc12 1772816323 NNKIOVSYFCNWPU-UHFFFAOYSA-N 325.416 2.679 0 50 EFAA CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1c(C)cc(C)cc1C 5884044 TXJIDFRAWHHWIE-HNNXBMFYSA-N 341.411 2.901 0 50 EFAA CCc1c(C(=O)N(CC)CC)c(=O)cc(C)n1C[C@H]1CCCN1CC 11788427 ZXCQFXAFOYENGE-MRXNPFEDSA-N 347.503 2.685 0 50 EFAA C[C@@H](C1CCC1)N1CCC(=O)N(CCOc2ccc(F)cc2)CC1 12150507 DEDHXWOKTVHWJA-HNNXBMFYSA-N 334.435 2.927 0 50 EFAA O=C1CCCN1CC(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 12591517 MNFWWDPARKRHSY-INIZCTEOSA-N 332.419 2.619 0 50 EFAA CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1 16649551 WUJBMIHJJLZFFS-UHFFFAOYSA-N 332.425 2.508 0 50 EFAA CCn1ccc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)n1 1857701267 KIUJNMGAHGOLOH-IAGOWNOFSA-N 335.492 2.824 0 50 EFAA COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC 2146994 NJNGYVOYOVPWBB-UHFFFAOYSA-N 344.319 2.897 0 50 EFAA biogenic,in-vitro COC(=O)[C@](C)(CNC(=O)c1nnc(C(C)C)s1)c1ccccc1 241132862 JMKQOBXRTPMPFV-QGZVFWFLSA-N 347.440 2.522 0 50 EFAA Cc1ccccc1C[C@@H](CO)NCc1cnc([C@H]2CCCO2)s1 342304826 HEFCGCQYZGEUQU-DOTOQJQBSA-N 332.469 2.996 0 50 EFAA Cn1ncnc1CN1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1 370208436 UWMQEELUFCBYFJ-OAHLLOKOSA-N 326.379 2.681 0 50 EFAA N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 35052108 DHQUQYYPAWHGAR-QGZVFWFLSA-N 327.380 2.581 0 50 EFAA in-vitro COC(=O)c1cc(-c2csc(NC(=O)c3cc(C)sn3)n2)c[nH]1 390835106 CULJPEAURLUKAM-UHFFFAOYSA-N 348.409 2.942 0 50 EFAA COCc1cccc(-c2noc([C@@H]3NCCOc4ccccc43)n2)c1 904563401 JCFTWLKBWWHRHE-QGZVFWFLSA-N 337.379 2.954 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c(Cl)cccc13)C2 1704303315 GSRUVCDHNZPZCS-KGLIPLIRSA-N 344.842 2.896 0 50 EFAA CC(C)c1nnc2n1CCN(C(=O)c1cnc(C(C)(C)C)nc1)[C@H]2C 807330893 GQIOKNYDZDTDCA-LBPRGKRZSA-N 342.447 2.706 0 50 EFAA CCCc1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)cc1 910618633 RGSPYFBDGONWHO-WUJZJPHMSA-N 331.412 2.781 0 50 EFAA CCOc1ccc(CC(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1 911699108 DZIOISQBWXYXBZ-HNNXBMFYSA-N 343.398 2.965 0 50 EFAA Cc1noc(-c2ccccc2)c1NC(=O)NCC[C@H]1CC(=O)N(C)C1 930817087 FJVXJKAQHSBABV-ZDUSSCGKSA-N 342.399 2.640 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H](CN)c1ccccc1 170678109 LRESBGVJKKFGTQ-LJQANCHMSA-N 348.450 2.632 0 50 EFAA O=S(=O)(Nc1cnc(Cc2ccc(F)cc2)nc1)c1ccoc1 2325718941 CTDQMSMVNLJMMH-UHFFFAOYSA-N 333.344 2.600 0 50 EFAA Cc1ccc(CNC2CCN(c3ccc(C(=O)O)cc3)CC2)nc1 2325744768 GGPUIVGJUXOOFI-UHFFFAOYSA-N 325.412 2.847 0 50 EFAA O=S(=O)(C[C@@H]1CC[C@@H](F)C1)N[C@@H]1Cc2ccc(Cl)cc2C1 2325776315 UFTSKFGSVHWJRW-VCTAVGKDSA-N 331.840 2.865 0 50 EFAA CO[C@@H](CNC(=O)Nc1cnn2cccnc12)c1ccc(Cl)cc1 2325818663 PTPMOYIEJVRORW-AWEZNQCLSA-N 345.790 2.892 0 50 EFAA COc1cccc(C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)c1 312868 KGOLBZGLEYDWCF-UHFFFAOYSA-N 327.336 2.921 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1 367628 YHDDOUXZNLIMJG-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 382747 PLGCVJUJUUCYQH-UHFFFAOYSA-N 343.408 2.866 0 50 EFAA O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 2881721 UFCZBKFZBSIQED-INIZCTEOSA-N 326.352 2.762 0 50 EFAA CN(C)[C@H]1CC[C@@H](CNC(=O)CCn2cnc3ccccc32)CC1 2356162836 RDZNGGUFHIMQSW-IYBDPMFKSA-N 328.460 2.663 0 50 EFAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1cnc(Nc2ccccc2)nc1 2356166742 LWAMLCTXZLBAHA-JNSHFYNHSA-N 340.383 2.593 0 50 EFAA COc1cccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 4317943 ZTMPSYJTWZSYQU-AWEZNQCLSA-N 336.438 2.867 0 50 EFAA O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccccn2)CC1 4805908 SUAVILJNLWTWSW-UHFFFAOYSA-N 349.793 2.602 0 50 EFAA O=C1N[C@](c2ccc(F)cc2)(C(F)(F)F)C(=O)N1Cc1ccco1 4840020 BJTUUIRWUFXXPY-AWEZNQCLSA-N 342.248 2.928 0 50 EFAA CCCCN(CCCCO)[C@@H](C(=O)O)c1cc(F)ccc1OC 55060624 RCKYDWYFJXNZTR-MRXNPFEDSA-N 327.396 2.835 0 50 EFAA CC[C@H](CO)N(Cc1ccsc1)C(=O)c1ccc2c(c1)OCO2 55132932 MQZLLWIVQMSYJM-CQSZACIVSA-N 333.409 2.890 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1 10110527 VBJXPICNDFMGCS-UHFFFAOYSA-N 346.452 2.865 0 50 EFAA CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2C=CCN2)c1 55061021 INIRSAHJAVPRQO-SFHVURJKSA-N 335.407 2.968 0 50 EFAA CCSCc1nc2c([nH]1)C[C@H](c1cccc(OC)c1)CNC2=O 65427279 KEMCZWOBAOESSQ-LBPRGKRZSA-N 331.441 2.741 0 50 EFAA CC(C)N1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO 20203541 QMTJTRVMOUJAOT-HNNXBMFYSA-N 330.394 2.982 0 50 EFAA CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cn1 20604820 JHJPDBNFADBDMA-UHFFFAOYSA-N 337.355 2.812 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)c1ccc(-c2nccn2C)nn1 67688803 YVBIUITXEKOBIA-UHFFFAOYSA-N 337.362 2.529 0 50 EFAA COc1ccc(CC(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc1 20745630 NKADJPPBLSGZAN-SFHVURJKSA-N 338.411 2.794 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 229415924 WXLSFICOOXGJFC-KBMXLJTQSA-N 325.412 2.928 0 50 EFAA C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)CC1CCOCC1 173001430 QJWAUYSJHQWUSN-NSHDSACASA-N 333.400 2.714 0 50 EFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3cccnc3Cl)C2)cc1 5028999 FFYKOFZPUGLWOG-CQSZACIVSA-N 331.759 2.875 0 50 EFAA Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)n2)c(C)n1 151621244 SOHMUDZPROACBM-UHFFFAOYSA-N 325.347 2.979 0 50 EFAA O=C(c1ccccn1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72152345 HSNCBBCZEOGNNA-MISYRCLQSA-N 333.435 2.784 0 50 EFAA CC(C)c1nc(N2CCC(Oc3ccccc3)(C(=O)O)CC2)no1 72418897 CYKXDSCXDROPEY-UHFFFAOYSA-N 331.372 2.696 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2c2nccc(C(F)(F)F)n2)c1 283593004 SEILKQRNGYONCR-DGCLKSJQSA-N 339.317 2.816 0 50 EFAA CN(CCCn1ccnc1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328652646 WOJGBHWKAQISKA-HOTGVXAUSA-N 336.480 2.879 0 50 EFAA Cc1cc(C(=O)N2CCN(C)c3ccccc32)ccc1-n1cncn1 173672354 OJVUTFHGMLEWJK-UHFFFAOYSA-N 333.395 2.672 0 50 EFAA C[C@H](c1nnnn1C1CCCCC1)n1ccc(C(F)(F)F)cc1=O 329262445 BKQWVPSHXAAFET-SNVBAGLBSA-N 341.337 2.968 0 50 EFAA O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(C(F)F)cc1 357386120 WADMCGGLCRLTIC-UHFFFAOYSA-N 347.365 2.786 0 50 EFAA O=C(O)c1cnc(C(=O)N(Cc2ccco2)Cc2cccs2)cn1 439925912 REDGOVZFAMCAEK-UHFFFAOYSA-N 343.364 2.672 0 50 EFAA Nc1nc(CN2CCO[C@H](c3ccsc3)C2)nc2ccccc12 126205234 WGWFVKCEZGHFGL-HNNXBMFYSA-N 326.425 2.847 0 50 EFAA O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc[nH]c(=O)c1 152832926 LVUGJOIIKKHHIO-UHFFFAOYSA-N 330.347 2.966 0 50 EFAA Fc1ccc(-n2ccc(CN3CCC(c4nc[nH]n4)CC3)n2)c(F)c1 365178093 NDJZOMSBTZAQSH-UHFFFAOYSA-N 344.369 2.648 0 50 EFAA C[C@H](C1CCN(C(=O)CCc2ccccc2F)CC1)N1CCOCC1 72428052 FOLLQZGQOQAGMD-MRXNPFEDSA-N 348.462 2.718 0 50 EFAA Cc1ccc2ncccc2c1Cn1ccnc1-c1cc2n(n1)CCNC2 72447618 HHZHYCPEHBZQJW-UHFFFAOYSA-N 344.422 2.755 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(C)cc1 72435235 LMZFWSAJKPNMGJ-LJQANCHMSA-N 343.515 2.808 0 50 EFAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCC(CCn2cccn2)CC1 219157534 KBBFFHSOGIIJKZ-KRWDZBQOSA-N 347.846 2.899 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 238069319 MLWPCLSFDHADJT-ZDUSSCGKSA-N 346.358 2.737 0 50 EFAA Cc1csc(CN2CCc3ncnc(N4CC=CCC4)c3CC2)n1 72440117 LEFIJUICTYBYJK-UHFFFAOYSA-N 341.484 2.609 0 50 EFAA O=C(O)Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cc1 175018468 GZHICFYCBGCWEB-UHFFFAOYSA-N 343.763 2.907 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cnc3c(C)cccn23)c1 337411807 QZCXBERPIIKVSX-MJGOQNOKSA-N 337.423 2.959 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCCC2 241588580 PEFSBIBNJSONEG-YUELXQCFSA-N 346.427 2.890 0 50 EFAA CCOc1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 241795511 RZTXPHGPBDLKFO-YOEHRIQHSA-N 349.456 2.554 0 50 EFAA CN1CC[C@H](NC(=O)COc2ccccc2)[C@H]1c1ccc(F)c(F)c1 245658504 GTGFHVHIOQDFSF-PKOBYXMFSA-N 346.377 2.905 0 50 EFAA CO[C@H]1C[C@@H](CO)N(c2ccnc3cc(Br)ccc23)C1 343321057 NTTWOTCSRGJHRV-RYUDHWBXSA-N 337.217 2.583 0 50 EFAA C[C@H](NC(=O)c1cc(N)nc(Cl)c1)c1ccccc1-n1cccn1 178015180 PKKPZAVGOYSNIT-NSHDSACASA-N 341.802 2.994 0 50 EFAA O=C(N[C@@H]1CCc2[nH]ncc2C1)c1csc(Cc2ccccc2)n1 82091544 WOUFFFLPUAJPAT-CQSZACIVSA-N 338.436 2.744 0 50 EFAA CC(C)c1nc(C2CCN(C(=O)c3cn4ccccc4n3)CC2)no1 292951269 VGHWNTRNKGOMQH-UHFFFAOYSA-N 339.399 2.861 0 50 EFAA O=C(NCc1cc(F)c(F)c(F)c1)c1cccc(-c2nc[nH]n2)c1 426510014 GSEGFWDUUINELU-UHFFFAOYSA-N 332.285 2.819 0 50 EFAA Cc1nnc(N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)s1 266380470 MVFPSTVHXVTLNM-KRWDZBQOSA-N 346.500 2.728 0 50 EFAA O=C(CC1CCOCC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 181489081 QYPIGSOVAYGETJ-UHFFFAOYSA-N 345.365 2.882 0 50 EFAA CNC(=O)c1ccc(CNc2cc(C)nc(-c3ccccc3O)n2)o1 91616932 MJSMKZAJKSCWOD-UHFFFAOYSA-N 338.367 2.722 0 50 EFAA O=C(c1ncc(F)cc1F)N1CC[C@H](Cc2cccc(CO)c2)C1 92028752 XZOYESREWHCLAD-CYBMUJFWSA-N 332.350 2.557 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 91747042 NFVFFJLINSLVLJ-MRXNPFEDSA-N 326.444 2.989 0 50 EFAA CC1(C)C[C@@H](NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C(C)(C)O1 181636473 JKXCTTGVATWUBQ-SNVBAGLBSA-N 347.337 2.861 0 50 EFAA CNc1ncccc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 244734269 NCGSIXNKPWPTLS-KRWDZBQOSA-N 342.418 2.829 0 50 EFAA O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cn2)CC1 182555845 BOVTUSVMPJOHMK-UHFFFAOYSA-N 345.349 2.851 0 50 EFAA COc1ccnc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c1 244795360 REVUPUYROOWVRP-LJQANCHMSA-N 340.423 2.546 0 50 EFAA Cc1ocnc1C(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244724013 MMAWAQBXTWPDLU-QIIPPGSGSA-N 337.379 2.773 0 50 EFAA Cc1noc(C2CCN(C(=O)c3cc(F)c(F)c(O)c3F)CC2)n1 183453313 JONRRSWHVTWUHJ-UHFFFAOYSA-N 341.289 2.521 0 50 EFAA Cc1nnc(CCCN2CC[C@H](n3c(C)nc4c3CCCC4)C2)o1 299740119 WACZEMIHFXBQAW-HNNXBMFYSA-N 329.448 2.641 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N[C@@H](CC(=O)O)CC(C)C 252488416 IRMCLPHBQXEHQN-CQSZACIVSA-N 331.416 2.740 0 50 EFAA CCCCN1CCn2nc(CNC(=O)Cc3ccccc3C)cc2C1 299770278 OZYRYYLUVRWSIC-UHFFFAOYSA-N 340.471 2.666 0 50 EFAA O=C(O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O 299765240 DFMXPQJABFGKBI-KRWDZBQOSA-N 335.787 2.754 0 50 EFAA CCCCCOC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)O 1875339877 BHPVIJJSBGCNKM-UHFFFAOYSA-N 349.431 2.875 0 50 EFAA C[S@](=O)(=NC(=O)c1cnc(-c2cccnc2)s1)c1ccccn1 1875328689 HNCJUXXLTJNMTO-HSZRJFAPSA-N 344.421 2.897 0 50 EFAA CC1(C)CCCN1C(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 1875280238 FTWCKEFFKAYRKT-UHFFFAOYSA-N 349.374 2.880 0 50 EFAA Cc1c(-c2nc(C[C@@H]3CCC(=O)N3)no2)[nH]c2cc(F)cc(F)c12 1875291382 XIUPEICGMQCXSJ-VIFPVBQESA-N 332.310 2.626 0 50 EFAA COc1cccc(-c2nc(-c3cn([C@@H]4CCC[C@H]4O)nn3)cs2)n1 887532453 FEKZETZDZRIEGS-ZIAGYGMSSA-N 343.412 2.558 0 50 EFAA c1ccc(-c2cc(NC3CC(Cn4ccnc4)C3)n3ncnc3n2)cc1 1776005223 DKWZLRLHPMGIBK-UHFFFAOYSA-N 345.410 2.879 0 50 EFAA C=CC(=O)N(CC)CC(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2 1347596430 FJPVCKACOIXTDU-CYBMUJFWSA-N 349.500 2.651 0 50 EFAA Cc1c(Cl)cccc1NC(=O)N1CC[C@H](c2cc(O)nc(O)n2)C1 1364069710 FZWKBCYRUHQYDG-JTQLQIEISA-N 348.790 2.871 0 50 EFAA COC(=O)[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3OC[C@H]2C)C1 272894661 FIDKFAJTQZIGHV-QLFBSQMISA-N 331.412 2.776 0 50 EFAA C[C@@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@H](C)C1 275847719 WTTCAKQPEBENPF-ZIAGYGMSSA-N 331.441 2.953 0 50 EFAA CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C1 170599290 MGGMSIUXJVHLTI-ARFHVFGLSA-N 340.464 2.565 0 50 EFAA CCOC(=O)Nc1ccc(NC(=O)N2CCC(N(C)C)CC2)cc1 170622354 JTIHHDUWAPRVFP-UHFFFAOYSA-N 334.420 2.813 0 50 EFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCO[C@H](C)C2)c1 171312710 CZGJNHJKWVPHLY-LSDHHAIUSA-N 347.459 2.992 0 50 EFAA C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](c2ncc[nH]2)C1 221670985 PIRARGJXATUNJE-MAUKXSAKSA-N 338.455 2.563 0 50 EFAA COc1cc(C(=O)N2CCO[C@H](c3nccs3)C2)cc(OC)c1C 110880974 WNXMVFQKWBGERG-HNNXBMFYSA-N 348.424 2.682 0 50 EFAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC[C@H](c1ccccc1)N1CCOCC1 225358611 ZJAJRAKSKVIKRN-WTGUMLROSA-N 344.499 2.853 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NC[C@H]3CCCC[C@@H]3O)c12 188121836 JJIFBWSIQHLFLR-CJNGLKHVSA-N 330.428 2.776 0 50 EFAA NC[C@@H]1CN(C(=O)C2(Nc3ccccc3)CC2)C[C@H]1c1ccccc1 638219019 RYNUDVUJPWCNPR-MJGOQNOKSA-N 335.451 2.832 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 190586266 NSMRPFZFSQNJKH-AWEZNQCLSA-N 332.835 2.657 0 50 EFAA OC[C@@H]1CCCCN1c1cc(NCc2ccc3ncccc3c2)ncn1 193002910 ISTJJDGNNBOQGP-KRWDZBQOSA-N 349.438 2.988 0 50 EFAA CC[C@H](NC(=O)C[S@@](=O)C1CCOCC1)c1ccc(Cl)cc1 194622650 CNURCGHVJDVMAZ-OYHNWAKOSA-N 343.876 2.835 0 50 EFAA CNCc1ccccc1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2 652565068 VCTZQMGORRSLSS-UHFFFAOYSA-N 338.411 2.612 0 50 EFAA COc1ccc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1 1529153557 GAJWXZREGFRQMU-RTBURBONSA-N 331.387 2.769 0 50 EFAA Fc1cnc(NCc2n[nH]c3c2CCCCC3)nc1N1CCCC1 1529091002 MDYVACPXWLJFDW-UHFFFAOYSA-N 330.411 2.820 0 50 EFAA COc1ccc(-c2nccn2[C@@H]2COCC[C@H]2OC)c(OC)c1C 1772813046 UKPKCCFHTNESBG-GDBMZVCRSA-N 332.400 2.852 0 50 EFAA c1cc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)ccn1 11753379 JSIALFIYUILRSW-KRWDZBQOSA-N 325.412 2.929 0 50 EFAA O=C(Nc1nc2ccccc2s1)c1cnc2sccn2c1=O 14753744 SXGNLKLEJCREFN-UHFFFAOYSA-N 328.378 2.618 0 50 EFAA COC(=O)[C@H]1CCCCN1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 15062698 YBWSFRMYVLMUHG-OAHLLOKOSA-N 347.390 2.752 0 50 EFAA CCOc1cc(Cl)c(S(=O)(=O)NCCCOC)cc1Cl 16625191 OKYBZKQJPQGSOH-UHFFFAOYSA-N 342.244 2.707 0 50 EFAA CCOc1ccc2nc(O)c(CN3C[C@H]4C[C@H](O)C[C@H]4C3)cc2c1 1857694556 RIVZDRPBKLSVIA-FOLVSLTJSA-N 328.412 2.542 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CCC(=O)O)C1 315154552 ZELDPKIXDHCLCG-GFCCVEGCSA-N 345.848 2.914 0 50 EFAA CCc1nn(C)cc1CN1CCC[C@H]1c1nc2c(n1C)CCCC2 328630775 JTYBDTIWCHXOGQ-SFHVURJKSA-N 327.476 2.932 0 50 EFAA COc1ccc(CN(C(=O)C[C@@H]2COC(=O)C2)[C@H](C)C2CC2)cc1 122895642 FHUOFSUZGSXGBX-HIFRSBDPSA-N 331.412 2.776 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccccc2F)nn1 643894056 UQXVUIPXJVBWOJ-MRXNPFEDSA-N 328.391 2.588 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CC[C@]3(CCCOC3)C2)c(C)c1 340773419 QVSWBNDVVSEDMT-QGZVFWFLSA-N 339.457 2.585 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 132041305 IBALQDXOQAMAFB-SFHVURJKSA-N 346.519 2.930 0 50 EFAA COc1ccc(Cl)c2c1N(C(=O)COCc1ccnn1C)CCC2 252479809 BMZWDNZLZFCYRC-UHFFFAOYSA-N 349.818 2.578 0 50 EFAA O=C(NCCOC1CCCCCC1)c1cnc(C2OCCO2)s1 252498697 RIUSGRJVHJMASA-UHFFFAOYSA-N 340.445 2.658 0 50 EFAA Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 363561256 WQNLLWAAHBCOTJ-SJORKVTESA-N 340.471 2.929 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 154346113 KFCNLVMTXZPJPW-IUODEOHRSA-N 335.835 2.794 0 50 EFAA CN1CCCC12CCN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2 368706724 LSZJFGXCJDVRJV-UHFFFAOYSA-N 338.455 2.632 0 50 EFAA CC(C)c1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)n(C)n1 261703054 IFKXTPDCOPLKDF-KRWDZBQOSA-N 346.862 2.984 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(=O)O)cc2F)o1 262318664 CGKHWTKJFJETLG-HNNXBMFYSA-N 347.342 2.893 0 50 EFAA Cc1cccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1Cl 262840860 CDULMFMZZVJNMU-ZDUSSCGKSA-N 325.792 2.506 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC[C@@H](Cn2cncn2)C1 933239353 LSLXIZAHPGGNSZ-MRXNPFEDSA-N 347.422 2.893 0 50 EFAA CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc(C3CC3)nn1C)CCO2 935458340 CFICPBYFXIIJIK-HNNXBMFYSA-N 341.411 2.950 0 50 EFAA O=C(CNC(=O)c1ccccc1)Nc1ccc(Br)cc1 5068312 KNJQOFDNUJJAKC-UHFFFAOYSA-N 333.185 2.818 0 50 EFAA C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCO1 5059779 XNZAWPLSAIQBPO-GWCFXTLKSA-N 328.206 2.512 0 50 EFAA COc1cc2c(cc1C)C(=O)[C@@H]([C@]1(O)C(=O)Nc3ccccc31)CC2 70294 VRPFFZIILFMLRJ-YWZLYKJASA-N 337.375 2.589 0 50 EFAA COC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 8715127 SBTMCDPYGRONPI-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA O=C(NC[C@H]1CCCc2cccnc21)c1n[nH]cc1-c1ccncc1 2325797983 CXPQASYDPISPCJ-OAHLLOKOSA-N 333.395 2.717 0 50 EFAA O=C(Cc1ccccc1F)N[C@H]1CC12CCN(C(=O)C1CCC1)CC2 965363312 WDECZWRDYMUPGT-KRWDZBQOSA-N 344.430 2.666 0 50 EFAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc2ccccc12 145529 OWSAVWPJVNSYOH-INIZCTEOSA-N 335.367 2.678 0 50 EFAA COC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 390219 HVBFZOSVIUZKHK-UHFFFAOYSA-N 334.335 2.648 0 50 EFAA CC(C)CN1CCN(C(=O)c2ccccc2OC2CC2)[C@H](C)C1=O 343876190 IJMZUKFCKRQUGU-CQSZACIVSA-N 330.428 2.557 0 50 EFAA O=C(CN1C(=O)C(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 2507774 AONDMQLCTQIABS-UHFFFAOYSA-N 348.280 2.873 0 50 EFAA CCCN1Cc2nnc(COc3ccccc3Cl)n2[C@@H](C)C1=O 2356158695 VWBZJTWBGNYTGL-NSHDSACASA-N 334.807 2.824 0 50 EFAA Cc1ccc(OCCn2c(S(=O)(=O)O)nc3ccccc32)cc1 4386081 LRXFEUCCBHBVDB-UHFFFAOYSA-N 332.381 2.670 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c2cnn(C)c2n1 134014054 YYQUKMWXUMMSET-OAHLLOKOSA-N 338.415 2.594 0 50 EFAA CC[C@H](CNCc1cnc(-c2cccc(C)c2)nc1)N1CCOCC1 55053041 UUYFQOHFDLBMCG-LJQANCHMSA-N 340.471 2.652 0 50 EFAA CCNC(=O)c1ccc(NC(=O)COc2cccc(F)c2)c(C)c1 55763742 QMWPFGFSNAOZQT-UHFFFAOYSA-N 330.359 2.901 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2)c1 248165752 ZSLSOKYNNYSTII-WOJBJXKFSA-N 341.499 2.981 0 50 EFAA CC(C)c1cc(C2CCN(C(=O)CCN3CCCCO3)CC2)[nH]n1 67741034 UXRHYTYYGPJQDG-UHFFFAOYSA-N 334.464 2.657 0 50 EFAA CC(C)N1CCC(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC1 65383952 WOIIFKFTZRGFBV-LJQANCHMSA-N 340.471 2.861 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1=O 67514757 ZBCIKAZQXUZTCP-FQEVSTJZSA-N 337.423 2.766 0 50 EFAA CCCCn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1=O 229688716 PLLVSWPJFHTYSC-FRIZHTMISA-N 331.460 2.988 0 50 EFAA Cc1ccc2c(NCCCN3CCC[C@H](C(N)=O)C3)ccnc2c1C 1506413759 KMIGCNUPEOUZHI-INIZCTEOSA-N 340.471 2.851 0 50 EFAA COc1ccc(-c2cnnc(N[C@@H](C)Cn3nc(C)cc3C)n2)cc1 12586406 FRJGMPVKUMJIDG-ZDUSSCGKSA-N 338.415 2.861 0 50 EFAA O=C(O)CSc1nnc(-c2cc(C3CC3)n[nH]2)n1-c1ccccc1 67954557 TUXMYXCQWKXTDN-UHFFFAOYSA-N 341.396 2.712 0 50 EFAA CC[C@H]1CN(c2ccnc(N(C)C)n2)CCN1Cc1ccccc1 353282906 RLGMISPAAIYEQY-KRWDZBQOSA-N 325.460 2.643 0 50 EFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCc1nc3ccccc3[nH]1)C[C@@H]2O 67677622 HZYLVZOAYCYZEL-BEVDRBHNSA-N 341.455 2.799 0 50 EFAA CC(C)c1nnc2ccc(N3CCN(Cc4ccccc4)CC3)nn12 61719668 SVAZYAXUUKZZHD-UHFFFAOYSA-N 336.443 2.570 0 50 EFAA CCCn1cc(C(=O)N(C)Cc2cc(-c3cccnc3)no2)c(C)n1 65457385 OFBKRBJUQJNBFW-UHFFFAOYSA-N 339.399 2.924 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)Cc1cccnc1 328656939 ZVGLILUZCIFOMT-HOTGVXAUSA-N 347.459 2.757 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc3c[nH]nc3c2)cn1 328628399 HEKVJNJSXVFRIT-FUHWJXTLSA-N 325.416 2.789 0 50 EFAA CCc1cncc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)c1 282675171 ZJAFIWNQFGKUER-FUHWJXTLSA-N 326.396 2.601 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(C)n([C@H](C)C2CC2)n1 329478313 OOGDFYKZKGTFFU-RHSMWYFYSA-N 341.459 2.972 0 50 EFAA Cc1ccc(-n2ccnc2-c2cccc(OCC(N)=O)c2)c(F)c1 71639026 BQEZTSTVGNVKDW-UHFFFAOYSA-N 325.343 2.851 0 50 EFAA CCCc1cc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)no1 216403455 FCUPRYKPHNSHCT-LJQANCHMSA-N 340.379 2.877 0 50 EFAA CCC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 331061157 UFDGEAJIOZVUFE-CZUORRHYSA-N 346.402 2.539 0 50 EFAA COC[C@H](NC(=O)N1CCC(C)(CO)CC1)c1cccc(Cl)c1 359847521 WXZUFOCQXITHJQ-HNNXBMFYSA-N 340.851 2.832 0 50 EFAA C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2ccccc2)ncc1=O 331577442 ONTJBBQYBUABOY-QAPCUYQASA-N 339.439 2.947 0 50 EFAA Cn1cnc(S(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1 331727321 NYQLKWHOXYIDTQ-NSHDSACASA-N 346.239 2.693 0 50 EFAA Cc1cc(C)n2ncc(CN3CCC[C@H](C(=O)c4ccccn4)C3)c2n1 215873344 PPKQWCXQJMKCCB-INIZCTEOSA-N 349.438 2.836 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H]1CCc2[nH]ncc2C1 153925878 BCOJQAJBZPYIKV-CQSZACIVSA-N 348.834 2.771 0 50 EFAA CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(C(=O)O)cn1 237191486 AVGCLTAHEYVZSL-UHFFFAOYSA-N 334.759 2.584 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCOc3nonc3C)c2c1 77539107 RMRCVBAQVFUQPV-UHFFFAOYSA-N 340.383 2.660 0 50 EFAA CCc1c(C)cc(C(=O)NCCc2ccccc2Cl)c(=O)n1C 216508757 SHVAQMISXJKCLY-UHFFFAOYSA-N 332.831 2.882 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@@H]([C@@H](C)N)C3)c(C)o2)cc1 237461312 UNFKCJPKPUQAPB-IUODEOHRSA-N 343.427 2.858 0 50 EFAA C[C@H]1CCCN(C(=O)c2cnc(Cc3ccccc3)s2)[C@H]1CN 237659694 NLJWEKHHESJCCH-ZFWWWQNUSA-N 329.469 2.933 0 50 EFAA NC[C@@H]1CN(C(=O)c2cc(O)nc3ccccc23)C[C@H]1c1ccccc1 369113936 XSBYXPQTGPJWBK-QAPCUYQASA-N 347.418 2.755 0 50 EFAA C[C@H]1COCCN1CCN1CCC(c2nc3cccc(F)c3[nH]2)CC1 369202467 IMASIZDBZJEVTR-AWEZNQCLSA-N 346.450 2.602 0 50 EFAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCOC1)Cc1ccc2ccccc2c1 262070362 IPDWKERTZBATEN-MSOLQXFVSA-N 341.407 2.626 0 50 EFAA Cc1cc(C)n([C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1 375798624 TZGJDDSYICCKTP-INIZCTEOSA-N 328.464 2.655 0 50 EFAA Nc1nc(CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)cs1 77286158 LOAANFZRTITESW-UHFFFAOYSA-N 348.447 2.536 0 50 EFAA COc1cccc(N2CC[C@H](CNC(=O)N3C[C@H]4[C@H](C3)C4(C)C)C2)c1 239637080 BISNQOXCHHNTQW-JLSDUUJJSA-N 343.471 2.819 0 50 EFAA O=C(O)c1ccccc1CN1CCC2(CC1)c1ccccc1C[C@H]2O 72169962 PPFJMXSJIPYWEK-LJQANCHMSA-N 337.419 2.836 0 50 EFAA CSCC[C@H](NC(=O)c1ccccc1)c1nnc2ccccn12 14168831 PVNXWURLEBJKCC-AWEZNQCLSA-N 326.425 2.954 0 50 EFAA Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(F)(F)[C@@H](CO)C1 291010508 DLIDFXQAMGDBLX-GFCCVEGCSA-N 336.338 2.740 0 50 EFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cnc(C)[nH]1)CC2 426649553 IBOGLHRCQNIUKA-JENIJYKNSA-N 342.443 2.704 0 50 EFAA CCn1cc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cn1 426693903 VRJURBNGEKDIEY-GBESFXJTSA-N 333.476 2.842 0 50 EFAA CSCc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)o1 223641532 BHOYEFNLCWJGED-MKBNYLNASA-N 332.425 2.780 0 50 EFAA Cc1nc2ccccn2c1-c1nnc2sc(-c3ccccn3)nn12 227143817 YPIMEKAIMUSETL-UHFFFAOYSA-N 333.380 2.871 0 50 EFAA CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)n(C)n1 81823528 VZPOIKNAHYBQFF-UHFFFAOYSA-N 340.427 2.600 0 50 EFAA CCCOc1ccccc1CCNC(=O)c1cc(C)c(C)[nH]c1=O 91304079 AUYSAZXIHSNXRE-UHFFFAOYSA-N 328.412 2.753 0 50 EFAA CNC[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 237167268 RGTWXKAGXNBDHS-ZDUSSCGKSA-N 326.387 2.582 0 50 EFAA COCc1cc(CN(C)C(=O)c2ccc3cccc(F)c3n2)n[nH]1 97772860 PFPIVUVVFDIGFV-UHFFFAOYSA-N 328.347 2.516 0 50 EFAA CC(C)(C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1)n1cccc1 91595841 ICKHQHQVAOVWIF-MRXNPFEDSA-N 349.438 2.998 0 50 EFAA COc1ccc(F)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1 426668398 PXAZIDQSOUBVAD-UHFFFAOYSA-N 344.386 2.692 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cc3c(cc1Cl)OCO3)C2 92001542 LCHLDMORHSUFEQ-GXTWGEPZSA-N 336.819 2.511 0 50 EFAA Cc1cc(-n2nc(C)nc2-c2cc3c(n(C)c2=O)CCCC3)ccn1 97679818 UXKJEDBGCJDKBQ-UHFFFAOYSA-N 335.411 2.524 0 50 EFAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCOC[C@@H](O)C1 95518150 MBLOLNSYFCBNCB-VIFPVBQESA-N 338.713 2.584 0 50 EFAA CC(C)n1cc(C(=O)N2CCc3ccccc3[C@@H]2CC(=O)O)cn1 95526538 CYPUPHMORNBKCS-INIZCTEOSA-N 327.384 2.678 0 50 EFAA Cc1ncn(CC(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)c1C 95366252 QBSJJKPICZATFR-QGZVFWFLSA-N 341.411 2.604 0 50 EFAA Cc1noc(C)c1[C@H](C)NS(=O)(=O)N1CCC[C@H]1c1ccco1 239882120 DAIQIRNLTNXATI-AAEUAGOBSA-N 339.417 2.617 0 50 EFAA CC(C)Cc1cc(C(=O)NCC[C@@H]2COc3ccccc3O2)on1 91650789 GIWGEYNYQMDJOY-CQSZACIVSA-N 330.384 2.833 0 50 EFAA CC(C)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(=O)[nH]1 97805789 CAXKXEYBESKMJA-HNNXBMFYSA-N 330.432 2.540 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)CCc2ccc(C(N)=O)cc2)CC1 294581466 KTUOOOFFMUDFEK-QGZVFWFLSA-N 332.444 2.526 0 50 EFAA CN(CCN1CCCCC1=O)C(=O)Nc1ccc(Cl)c(F)c1 97604167 XGPQBRVKJYIMDB-UHFFFAOYSA-N 327.787 2.955 0 50 EFAA CCN(Cc1nccs1)CC1CCN(C2CCN(C)CC2)CC1 95521625 BHEDLUIQVUFPML-UHFFFAOYSA-N 336.549 2.771 0 50 EFAA Cc1nc(C)c(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)s1 95372571 GISUHKVCWZEINH-AWEZNQCLSA-N 343.452 2.564 0 50 EFAA Cc1cccc(NC(=O)[C@@H](C)N2CCCN(C(=O)C3CCC3)CC2)c1 244840278 UKHTYUIOAUGIBX-MRXNPFEDSA-N 343.471 2.656 0 50 EFAA CC(C)c1noc(C2CCN(CCC(=O)Nc3cccnc3)CC2)n1 252500674 TTWOJQOISPHORT-UHFFFAOYSA-N 343.431 2.796 0 50 EFAA O=C1[C@H](NCC2=Cc3ccccc3OC2)CCCN1c1cccnc1 184251766 ATPBIPMCVOAPDC-GOSISDBHSA-N 335.407 2.643 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)N2CC(Oc3c(C)cccc3C)C2)n[nH]1 534660153 AZBSOYNFASOHAO-CQSZACIVSA-N 342.443 2.739 0 50 EFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cnc(C)nc1 299777867 FPFYDIUHTOSNNC-OAHLLOKOSA-N 327.384 2.826 0 50 EFAA CSCC[C@@H](NC(=O)c1c(C)ncn1C)c1nc2ccccc2[nH]1 299790592 BWFBGCVOSSNFHU-CQSZACIVSA-N 343.456 2.829 0 50 EFAA Cc1cnccc1CN(C)C(=O)c1cccc(-c2nc(C)n(C)n2)c1 299783149 FEXWXMVVWWBKIE-UHFFFAOYSA-N 335.411 2.766 0 50 EFAA CC(C)(C)OC(=O)n1ncc2cc(I)cnc21 66054382 OEWBCEOBCVBANN-UHFFFAOYSA-N 345.140 2.819 0 50 EFAA in-vitro CN(C)c1ncc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 271232136 UVPRIRFSRAWLIZ-MSOLQXFVSA-N 326.444 2.631 0 50 EFAA COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1occc1Br 271497303 IOTRLGYSMUHPAJ-LKFCYVNXSA-N 344.205 2.894 0 50 EFAA O=C(Nc1cccnc1-c1cccnc1)N1C[C@@H](CO)[C@H](C2CC2)C1 1875296833 QWKBZMCPSZFMNI-HOTGVXAUSA-N 338.411 2.626 0 50 EFAA Cn1ccc2cccc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)c21 1875281108 PQBXYEIFVWCMCS-UHFFFAOYSA-N 342.424 2.722 0 50 EFAA Cn1ncc2c1CCCN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2 1875265958 ZHOQOXVUXXRUHD-UHFFFAOYSA-N 330.338 2.768 0 50 EFAA O=C(O)[C@@]1(C(=O)Nc2cccc(COc3ccccc3)c2)CCCO1 1875292221 AOIXKAKGPMRHKF-IBGZPJMESA-N 341.363 2.838 0 50 EFAA O=C(N=c1ccn(-c2ncccc2Cl)[nH]1)c1cccc2c1OCC2 1875319091 PXEXYABLABFMIZ-UHFFFAOYSA-N 340.770 2.530 0 50 EFAA Cc1ccc(C)c2[nH]c(C(=O)N[C@H](CO)Cc3nccs3)cc12 1875319859 VRXQUEKJXITODI-LBPRGKRZSA-N 329.425 2.575 0 50 EFAA COC(=O)c1cc2c(N3C[C@H](C)c4ccc(OC)cc43)[nH]cnc-2n1 1875319457 CZKCFUSVKAUENE-JTQLQIEISA-N 338.367 2.960 0 50 EFAA C=CC(=O)N(Cc1cccc(OCCC)c1)Cc1cnnn1CC 1875374225 GEJCMDOWDDDGIT-UHFFFAOYSA-N 328.416 2.802 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cccc3c2OCC[C@H]3OC)CC1 1875365299 IYXGRKJTZQFZBN-MRXNPFEDSA-N 344.411 2.520 0 50 EFAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cc2c(Cl)cccc2[nH]1 952873201 WVVWHYKVHOXUKD-UHFFFAOYSA-N 331.807 2.863 0 50 EFAA COc1cc(CN(C)C(=O)Nc2ccc(C)nc2N(C)C)sn1 1773309065 VPTVNEVGJMDBAS-UHFFFAOYSA-N 335.433 2.585 0 50 EFAA Cc1ccc([C@H]2CN(C(=O)c3ncc(F)cc3F)C[C@@H]2N(C)C)cc1 1565515496 OBYMBQVHFVBJLN-WBVHZDCISA-N 345.393 2.838 0 50 EFAA O=C(CCc1cccnc1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565528602 YYFZPCVZLFNTBT-OALUTQOASA-N 340.423 2.505 0 50 EFAA C[C@@H]1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)C)CC12CCC2 1433302108 MNWAXEZIRATFML-CQSZACIVSA-N 345.491 2.650 0 50 EFAA O=C(OCc1nnc(C2CC2)n1C1CC1)c1n[nH]c2c1CCCCC2 170608494 UOOCYBHPZHJLOR-UHFFFAOYSA-N 341.415 2.839 0 50 EFAA O=C(CCOCC(F)F)N1CCCN(c2ccc(F)cc2)CC1 170611084 LPILLURFAANKQA-UHFFFAOYSA-N 330.350 2.536 0 50 EFAA Cc1cc(Br)cnc1NC(=O)[C@@H]1CCc2cnn(C)c2C1 281120520 CNWYWNMDATZPMU-SNVBAGLBSA-N 349.232 2.630 0 50 EFAA CC[C@H]1CCCCN1CCNC(=O)c1cc(C)nc(C(F)(F)F)n1 189527141 COHVYOOUANHCBH-LBPRGKRZSA-N 344.381 2.798 0 50 EFAA CC(=O)NC1CN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 190135179 SKYQPPWQXADXRU-INIZCTEOSA-N 343.452 2.562 0 50 EFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)c(O)c(Cl)c1 194897242 WUEAJTBTSXYNNZ-BMIGLBTASA-N 345.823 2.969 0 50 EFAA C[C@H](Cc1ccccc1F)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 658180815 PFBPRANDWBHSRY-LIVBEALHSA-N 341.430 2.961 0 50 EFAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1ccccc1F 665218797 BGFLHQMAODKQJM-QGZVFWFLSA-N 341.386 2.599 0 50 EFAA CCCO[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 1529100073 NDRLKEXSBGNPSW-QGZVFWFLSA-N 338.879 2.890 0 50 EFAA Cc1ccc(CCC(=O)N(CCN(C)C)Cc2cnc[nH]2)c(C)c1 1704340742 SUGYEPKVXYTDRH-UHFFFAOYSA-N 328.460 2.550 0 50 EFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cccc(-n3cnnc3)c1)C2 1704297615 ULXGIKLPMJCLJT-MJGOQNOKSA-N 340.427 2.689 0 50 EFAA O=c1nc(O)c2ccc(-c3ccccc3O)nc2n1Cc1ccco1 1848442609 BXNHECVXHOZFLV-UHFFFAOYSA-N 335.319 2.511 0 50 EFAA O=C(c1cnc2c(c1)CCCC2)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775982084 HJKIKNLMQSAINP-FQEVSTJZSA-N 336.439 2.804 0 50 EFAA CSCC[C@H](C)N1CCCN(C(=O)c2ccn(C(C)C)n2)CC1 1775979938 QAUDKDHYLHCSTK-HNNXBMFYSA-N 338.521 2.754 0 50 EFAA C[C@@H](CCn1cccn1)N1CCCN(C(=O)c2cccs2)CC1 1772815159 XMKVDKGRFQGWLF-HNNXBMFYSA-N 332.473 2.571 0 50 EFAA COc1cc(C)c(/C=C(/NC(=O)c2ccccc2)C(=O)O)c(OC)c1 17003492 RIQYZGLBZDWGJX-LFIBNONCSA-N 341.363 2.868 0 50 EFAA CNS(=O)(=O)c1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1 169809493 SRJRYZVFHYMLDA-UHFFFAOYSA-N 346.330 2.988 0 50 EFAA COc1ccccc1C1(c2noc([C@H]3C[C@H]4C[C@@H](N)[C@H]4C3)n2)CC1 1857527933 IQVKLLFXZYORRG-PWNZVWSESA-N 325.412 2.999 0 50 EFAA CCc1nocc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857528693 LSBUABSYRGGPAA-KPZWWZAWSA-N 342.399 2.691 0 50 EFAA O=C1C[C@H](c2ccc(-c3ccc4nc(O)cc(C(=O)O)c4c3)cc2)CN1 1875244194 CSIVXPMDGHPEHL-AWEZNQCLSA-N 348.358 2.909 0 50 EFAA O=C(CNC(=O)C1CCCC1)Nc1ccc2sc(C(=O)O)cc2c1 408526077 JXJCQWRYXYDULT-UHFFFAOYSA-N 346.408 2.844 0 50 EFAA COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1C(C)C 6744373 NLYHRUDCRPSTNU-CYBMUJFWSA-N 327.446 2.584 0 50 EFAA O=C(c1cccc(Cl)c1)N(Cc1cncnc1)[C@H]1CCCNCC1 435404780 GKDORDFDMJWOGR-KRWDZBQOSA-N 344.846 2.915 0 50 EFAA O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@@H]1CCc2nncn2C1 332816335 GBRJSUBEOUZKJP-KOLCDFICSA-N 336.848 2.749 0 50 EFAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CCNCC1 237088993 ZGQBVQTYXBINPF-UONOGXRCSA-N 342.361 2.899 0 50 EFAA NC1CCC(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 237789784 IILLOLYEHYBTEM-UHFFFAOYSA-N 336.863 2.774 0 50 EFAA O=C(Nc1cccc(CN2CCN(c3ccccn3)CC2)c1)C(F)F 252488126 IKWRWGOEHHISBE-UHFFFAOYSA-N 346.381 2.607 0 50 EFAA O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc[nH]c(=O)c1 153474740 JLFYZAJUPVJAGT-UHFFFAOYSA-N 330.347 2.966 0 50 EFAA COc1ccc([C@H](NC(=O)CN2CCOC3(CCC3)C2)C(C)C)cc1 154296566 AOSCYLPJXPBLHH-LJQANCHMSA-N 346.471 2.763 0 50 EFAA CN(C)CCOc1ccc(-c2noc([C@H]3CC34CCOCC4)n2)cc1 377445662 BLXUABXSRJKWLF-MRXNPFEDSA-N 343.427 2.961 0 50 EFAA Cc1cc(Cl)c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1C 262874766 GLAFVCBXAFFUAY-AWEZNQCLSA-N 339.819 2.814 0 50 EFAA CC(C)n1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 264799199 AEBMCSKYEMAIQU-QGZVFWFLSA-N 326.444 2.858 0 50 EFAA Cc1cc(S(N)(=O)=O)cc(NC(=O)c2sccc2Cl)c1C 163111227 KKJNXIWZCUXXRE-UHFFFAOYSA-N 344.845 2.918 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2cc(F)cc(F)c2F)C[C@@H]1O 1704336462 JKJAXAPRHKGLNX-BBRMVZONSA-N 331.334 2.542 0 50 EFAA O=C(Nc1cnn2ccccc12)[C@H]1CC[C@H](Nc2cnccn2)CC1 825498016 ZROUKKJPGXHCKS-HDJSIYSDSA-N 336.399 2.734 0 50 EFAA Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2cn(C)nc2C)n1 934651117 QSJACFFHMVIPBN-KRWDZBQOSA-N 329.448 2.686 0 50 EFAA O=C(c1cc(Cl)cc(Cl)c1O)N1CC(F)(F)C[C@H]1CO 935536623 XQTVBGMDVTVAKX-ZETCQYMHSA-N 326.126 2.541 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1 1578344 CTSNHMQGVWXIEG-UHFFFAOYSA-N 334.788 2.666 0 50 EFAA investigational CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 4156508 VNBWRUUAHODFIL-ZDUSSCGKSA-N 340.832 2.874 0 50 EFAA Cc1cc(O)nc(C)c1NC(=O)[C@H]1CCCN(Cc2ccco2)C1 2100545290 NIODCCOLTBDNJK-AWEZNQCLSA-N 329.400 2.848 0 50 EFAA CCCCNc1cc(N2CCC(c3cscn3)CC2)nc(=N)[nH]1 2325756893 RDQKEKYIWVSSQU-UHFFFAOYSA-N 332.477 2.942 0 50 EFAA Cn1ccc(-c2nc(CN3CCCc4c(CN)cccc43)cs2)n1 2325774237 ULGOGHVLDKZPBQ-UHFFFAOYSA-N 339.468 2.955 0 50 EFAA C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCc3cc(C(=O)O)ccc3C2)C1 2325880202 YJNXPGJZKIWEPY-XWIAVFTESA-N 345.439 2.954 0 50 EFAA O=c1[nH]c2ccccc2n2c(SCCC(F)(F)Cl)nnc12 863257730 AKTNIRXPGZRLLN-UHFFFAOYSA-N 330.747 2.885 0 50 EFAA COc1ccc(O[C@@H](C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 119748 KBMXKHOLXHBXHL-ZDUSSCGKSA-N 339.395 2.698 0 50 EFAA COc1cc(NC(=S)NC[C@@H](O)c2ccccc2)cc(OC)c1 305236 ZJDCGGNNIQWENZ-MRXNPFEDSA-N 332.425 2.724 0 50 EFAA O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(Cl)cc1 309557 HUXKOWUGIRCTAT-UHFFFAOYSA-N 329.743 2.511 0 50 EFAA COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 460955 BNNYEHNXCRVGMB-UHFFFAOYSA-N 339.800 2.856 0 50 EFAA CCOC(=O)c1ccc(NC(=O)NCc2ccc(C(=O)O)cc2)cc1 610081 MGUPXYSWAZZKKG-UHFFFAOYSA-N 342.351 2.883 0 50 EFAA COc1ccc(C)cc1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356145995 MOBWLFZRQFXDAU-HXUWFJFHSA-N 342.439 2.763 0 50 EFAA O=C(c1ccnnc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 133961896 YCHJCTLRAUCHTD-JTQLQIEISA-N 342.346 2.972 0 50 EFAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)cc1 2871933 LIQZJEDHYQHDJP-UHFFFAOYSA-N 335.381 2.568 0 50 EFAA CC(C)C(=O)Nc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 4385414 ZITLBQKYAQGDKK-UHFFFAOYSA-N 343.408 2.842 0 50 EFAA Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1 6704375 UFIQDVWRFQAYRQ-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA O=C(CCN1CCCCO1)N(Cc1ccncc1)Cc1ccco1 55413471 WFBPXXNGXNUCKZ-UHFFFAOYSA-N 329.400 2.621 0 50 EFAA CCCCc1cn(C2CCN(C[C@H]3CCCN(CC)C3)CC2)nn1 55242129 KURVRMQKIUFASA-KRWDZBQOSA-N 333.524 2.990 0 50 EFAA Cc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1 100621236 ZCRYREYJXMSQJQ-UHFFFAOYSA-N 334.375 2.502 0 50 EFAA O=C(c1ccc(=O)[nH]c1)N(Cc1ccccc1)Cc1nccs1 55308360 HYLWWZUPTSZAAR-UHFFFAOYSA-N 325.393 2.674 0 50 EFAA CNC(=O)Cn1cc(NC(=O)c2ccccc2-c2ccccc2)cn1 58536754 UXULUMMZCZVZLH-UHFFFAOYSA-N 334.379 2.548 0 50 EFAA CSc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1 10279149 LZYAVISOQSQBDE-UHFFFAOYSA-N 328.503 2.563 0 50 EFAA Cc1nsc2ncc(C(=O)N3CCC(c4ccn[nH]4)CC3)cc12 125206526 BUASONSVTWHGJD-UHFFFAOYSA-N 327.413 2.743 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)n[nH]1 67541562 VVWXLDPWLNFELB-UHFFFAOYSA-N 335.411 2.680 0 50 EFAA O=C(Cc1cccc(O)c1)N1CCC([C@H](O)Cc2ccccc2)CC1 77422367 RSANUXXLYUZFBI-HXUWFJFHSA-N 339.435 2.777 0 50 EFAA C[C@H]1CCCCN1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 252477346 MKRUOQBSOSWGNJ-KSZLIROESA-N 336.524 2.519 0 50 EFAA CC[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1F 252669702 IKZPKGSUYYAVKE-RLCCDNCMSA-N 346.443 2.676 0 50 EFAA CS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 152122989 HXYBQMCUEUXFQC-OAHLLOKOSA-N 337.445 2.855 0 50 EFAA COc1cccc([C@H]2CC(=O)NCc3nc4sccn4c32)c1OC 65372577 GNWFWFHMYFWEBH-LLVKDONJSA-N 343.408 2.565 0 50 EFAA O=C(O)Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12 1400199 FYCKJQYQPZDJJC-UHFFFAOYSA-N 328.755 2.725 0 50 EFAA CCOc1ccc([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)cn1 65376091 XQQPKYPGWFKSAI-AWEZNQCLSA-N 336.395 2.588 0 50 EFAA COc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](C)C2)c2ccccc12 332320083 JJBKFALCLWCFNL-OLZOCXBDSA-N 335.425 2.694 0 50 EFAA Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C)n1 152405793 YPAHQTSXFABFOA-UHFFFAOYSA-N 342.399 2.718 0 50 EFAA CCc1nnc(CN2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)o1 328603787 HFMZHRXLXOKVOO-SJKOYZFVSA-N 331.420 2.692 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(C)cn2)n1C 328638503 PBUGOEKSYCMRDF-KRWDZBQOSA-N 326.444 2.815 0 50 EFAA CCc1noc(C)c1CN1CCCC[C@@H]1c1ccc(C(=O)NC)n1C 328638598 PGELBBZJDAOGGP-QGZVFWFLSA-N 344.459 2.971 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Cn1cnc2ccccc21 77376595 SHOHHWDYXXXVEA-GOSISDBHSA-N 348.450 2.551 0 50 EFAA CC(C)c1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)no1 77380263 FZJCGZRXLZVQJY-KRWDZBQOSA-N 337.383 2.704 0 50 EFAA COc1cccc(-n2cc([C@@H](C)Nc3ncnc4[nH]cnc34)cn2)c1 32523822 PKKCVEWDKXRMQB-LLVKDONJSA-N 335.371 2.720 0 50 EFAA COc1cccc([C@@H](O)C(=O)N2CCC(Cc3ccccn3)CC2)c1 378321070 ZMKMKYZKTVPUMP-LJQANCHMSA-N 340.423 2.605 0 50 EFAA CCc1nc(N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)ncc1C 219858427 KMTGRNIGQILFRM-SJORKVTESA-N 346.431 2.738 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1 375923425 UXEPHCRPQDWHHS-QGZVFWFLSA-N 339.395 2.726 0 50 EFAA Cc1ccnc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)O)C2)n1 71614132 DMDVDUBWSWLKHI-GOSISDBHSA-N 347.365 2.977 0 50 EFAA COc1ccc(CN[C@H]2CCC(=O)NC2(C)C)c(C(F)(F)F)c1 495080347 CJWRHGDVPVFHBF-ZDUSSCGKSA-N 330.350 2.861 0 50 EFAA O=C(Nc1ccncc1Br)NC1CCC(C(=O)O)CC1 263028109 KDRSOJDGVITCEF-UHFFFAOYSA-N 342.193 2.609 0 50 EFAA Cc1cccc2c(CC(=O)N(CCC(=O)O)C[C@H]3CCCO3)c[nH]c12 237756586 XYXBQQIPHXCGLG-OAHLLOKOSA-N 344.411 2.501 0 50 EFAA CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1cccc(OC)c1 72172623 YLRZFLZNWUTBRU-INIZCTEOSA-N 334.416 2.885 0 50 EFAA O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(c3ccccc3oc2=O)O1 217847808 MDLOWGGMOWXBPG-CYBMUJFWSA-N 336.299 2.932 0 50 EFAA biogenic COC[C@@H](C)n1c(CCCC(=O)N2CCCC2)nc2cccnc21 77420988 NRQSXZXDLYYOJJ-CQSZACIVSA-N 330.432 2.584 0 50 EFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2[nH]nnc2c1 176735399 DOXABMRXXMXNRZ-SFHVURJKSA-N 347.378 2.861 0 50 EFAA CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCCc2n[nH]cc21 285213908 JMNSLJJZOZEUPB-CXAGYDPISA-N 343.431 2.634 0 50 EFAA CCN1CCC(N(CCc2ccccn2)Cc2coc(C)n2)CC1 216347994 BKJBLFFSTPBWHM-UHFFFAOYSA-N 328.460 2.907 0 50 EFAA CCc1cc(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)n[nH]1 71759094 HDGNQWRNEZTKCL-AWEZNQCLSA-N 341.411 2.796 0 50 EFAA CCCN1CCC(N2CCC(Cn3cc(C4CC4)nn3)CC2)CC1 48356927 KNEAYRICXCFEIB-UHFFFAOYSA-N 331.508 2.742 0 50 EFAA c1ccc([C@@H]2CN(c3cncc(-n4cccn4)n3)[C@@H]3CCOC[C@@H]23)cc1 286436500 SGEXAIFTFFFILR-OKZBNKHCSA-N 347.422 2.671 0 50 EFAA C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)O1 241775953 RQPJCVCLGYKMNL-SNPRPXQTSA-N 326.400 2.703 0 50 EFAA O=C([C@@H]1OC[C@@H]2COCC[C@@H]21)N(Cc1ccco1)Cc1cccs1 289362813 NDFAOFJUVUSRCF-RRQGHBQHSA-N 347.436 2.921 0 50 EFAA Cc1cnc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)cn1 426382811 SPVQDYHQZZZORH-UHFFFAOYSA-N 327.775 2.554 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cnc2ccccc2n1 222404704 YQDSRQYSXAGWQX-UHFFFAOYSA-N 345.362 2.952 0 50 EFAA CC(C)[C@H](CC(=O)O)NC(=O)N(C)Cc1cccc2cnccc12 426678138 QIESEEHECAQJAR-INIZCTEOSA-N 329.400 2.876 0 50 EFAA O=C(NCc1cnc2cnccn12)c1[nH]c2ccccc2c1Cl 426398987 GQACLWKNOYXSIW-UHFFFAOYSA-N 325.759 2.794 0 50 EFAA CCOC(=O)c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)[nH]n1 180939857 BDXLJVCAFNHTEX-UHFFFAOYSA-N 341.289 2.786 0 50 EFAA O=C(NCCN1CCC(O)CC1)c1ccc(-c2ccccc2Cl)o1 91820148 KEEZLPKKFFPTEV-UHFFFAOYSA-N 348.830 2.787 0 50 EFAA CC1(C)C[C@H](NC(=O)CNC(=O)Nc2cccc(Cl)c2)CCO1 297219667 SSGIPFRVGMONIL-CYBMUJFWSA-N 339.823 2.535 0 50 EFAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]42)cc1 245309415 CRFOHZZPZMLIKU-AYJCJHGNSA-N 349.386 2.578 0 50 EFAA O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H]1CCCc2occc21 245519690 SJMQZZJLLVTKPM-ZFWWWQNUSA-N 326.400 2.630 0 50 EFAA CC(C)(CNC(=O)N[C@H]1CCCOCC1)c1ccc2c(c1)OCCO2 183537452 MCJJUAMCJPFOHB-HNNXBMFYSA-N 348.443 2.604 0 50 EFAA CCc1cc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c2ccccc2n1 299744689 UGZDQYMYHSRJOK-CHWSQXEVSA-N 337.345 2.897 0 50 EFAA COCc1ncsc1C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C 253415222 AOWCETMAXKXICJ-GFCCVEGCSA-N 340.445 2.626 0 50 EFAA Cn1cc(-c2cc(CN3CCC[C@H](c4nccs4)C3)on2)cn1 184991887 UIVMJPJVDOIMQM-LBPRGKRZSA-N 329.429 2.911 0 50 EFAA Cc1c(NC(=O)NCCCN2CCOCC2)cccc1-n1cccc1 299789053 VFFCRDRVNQGDDB-UHFFFAOYSA-N 342.443 2.630 0 50 EFAA 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COCc1cccc(CC(=O)N2CCCCC[C@@H]2c2ncon2)c1 189607486 PSROEHUOHRHJIR-MRXNPFEDSA-N 329.400 2.902 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3sccc3[nH]2)C1 192217751 GBTWKAXNTJYBFN-JOYOIKCWSA-N 332.385 2.523 0 50 EFAA Cn1nccc1[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 655281601 BPPSQAURGWZWBS-KSZLIROESA-N 335.407 2.527 0 50 EFAA COc1ccc(NC(=O)c2csc(C)c2)cc1NS(C)(=O)=O 671651083 RLISXPRYWXAQDT-UHFFFAOYSA-N 340.426 2.689 0 50 EFAA Cc1ccn2c(NC(=O)c3ccc([C@H]4CCCO4)s3)nnc2n1 1506418375 SFDZJBUUGYQLAT-SNVBAGLBSA-N 329.385 2.598 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529144003 AQKOLZIXKFKESX-NVXWUHKLSA-N 334.847 2.584 0 50 EFAA CO[C@H](C)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 110415493 MXHGADSUJZDQCF-SSDOTTSWSA-N 342.218 2.941 0 50 EFAA COc1cc2c(cc1CN1C[C@H](Cc3ccccn3)[C@@H](O)C1)CCC2 1616084023 SWUJRBKWWAGOBS-PXNSSMCTSA-N 338.451 2.614 0 50 EFAA CC[C@H](C(=O)N1CCCN(Cc2ccc(C)s2)CC1)n1cccn1 1775980621 FMPLJKMICCIRDL-QGZVFWFLSA-N 346.500 2.939 0 50 EFAA O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC[C@H]1CCCO1 5928508 QBNLMXQRPLAJKP-SNVBAGLBSA-N 325.821 2.604 0 50 EFAA CC1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 12570726 JSBUZUYSLXVBMY-NRFANRHFSA-N 344.499 2.705 0 50 EFAA O=C(c1cc(-c2cccnc2)on1)N1CCN(c2ccccc2)CC1 13363632 ASDUVPHCMPXLET-UHFFFAOYSA-N 334.379 2.699 0 50 EFAA CCOc1ccc2nc(C)c(CN3CCN(CC)CC3)c(O)c2c1 19791990 HJHREIVXNSLCQG-UHFFFAOYSA-N 329.444 2.785 0 50 EFAA CSc1ncccc1C(=O)N1CCC[C@@H]1c1ccc(C(N)=O)s1 19939358 DEDORRCZXHCTRJ-LLVKDONJSA-N 347.465 2.941 0 50 EFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)CCC=Cc2ccccc2)C1 1857531894 LGESGWFHUMBUJP-CVEARBPZSA-N 326.400 2.587 0 50 EFAA COc1ccc(-c2nccn2[C@@H]2CC(=O)N(C)C2)c(Cl)c1OC 1857689015 BLYAJHSRTPLCCT-SNVBAGLBSA-N 335.791 2.624 0 50 EFAA Cc1nc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)ns1 1875244579 OOYQXOTUXKKGRP-UHFFFAOYSA-N 327.413 2.830 0 50 EFAA CCCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 408519814 IEXZUXOEOMIROS-XQQFMLRXSA-N 334.382 2.682 0 50 EFAA CC(C)[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(Cl)cc1F 120506645 YCUXNHHFDZOHLC-KBPBESRZSA-N 341.814 2.706 0 50 EFAA Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)sc2cccc(F)c12 237761645 QAQNYAFVIJXLNP-SNVBAGLBSA-N 337.372 2.665 0 50 EFAA Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(C)c1 337138464 FWIGCAULXBIEBF-QRVBRYPASA-N 331.456 2.624 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCCC12CCOCC2 241946677 UNAOHDDOHUGXTM-IAGOWNOFSA-N 346.475 2.715 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1)N1CCO[C@@H](c2cccc(F)c2)C1 245407043 ZIUVFVCABLMEAD-HNAYVOBHSA-N 342.414 2.904 0 50 EFAA CCOc1ncccc1-c1noc([C@H](NC(C)=O)C2CCCC2)n1 346094793 OOEZJHWUOHOAQO-CQSZACIVSA-N 330.388 2.898 0 50 EFAA COc1ccc(CC(=O)NCC2(N3CCCCC3)CCCCC2)nc1 363762364 CSQRNPHLOSOKKP-UHFFFAOYSA-N 345.487 2.938 0 50 EFAA CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@@H]1CCCNCC1 364649549 UHXJMFPJHDGWAE-MRXNPFEDSA-N 340.427 2.828 0 50 EFAA Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1 265301717 VDFZLBHWDUNGJU-NWDGAFQWSA-N 344.333 2.662 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 266429187 RTMKCTQRJGQIFY-QZTJIDSGSA-N 339.439 2.876 0 50 EFAA Nc1ncc2c(n1)[C@]1(CCCN(c3ncc(Cl)cc3F)C1)CC2 1704308690 HASYMRPHKRLCQS-MRXNPFEDSA-N 333.798 2.731 0 50 EFAA CN(C[C@@H]1OCCc2sccc21)C(=O)Cc1ccc(C(=O)O)cc1 910504430 BVEIVIABCAIFKD-HNNXBMFYSA-N 345.420 2.761 0 50 EFAA CCc1ccc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)cc1 910542651 MUWJECLQEKABBB-UHFFFAOYSA-N 328.412 2.813 0 50 EFAA Cc1ncccc1CCNC(=O)Nc1cn(C)nc1C(F)(F)F 930813183 BUQXVJRXBBLSRK-UHFFFAOYSA-N 327.310 2.507 0 50 EFAA C[C@H]1COCCN(Cc2csc(-c3cccc(C(=O)O)c3)n2)C1 833631596 LQHZUEMXULTXPZ-GFCCVEGCSA-N 332.425 2.977 0 50 EFAA O=C(Nc1cnn(Cc2ccccc2)c1)NC1CCC(C(=O)O)CC1 263355364 RJLYXGCMGNTBSH-UHFFFAOYSA-N 342.399 2.696 0 50 EFAA C[C@H](N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ncn(C)n1 400911915 FVWSBHUPKUIKQE-ZQDZILKHSA-N 349.479 2.501 0 50 EFAA COc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c2c1CNCC2 2325768753 IWPJMTJDDSOXJB-UHFFFAOYSA-N 336.395 2.778 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 855554740 XNHFIUUCGAVFFC-YJBOKZPZSA-N 330.428 2.643 0 50 EFAA C[C@@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)Cc2c[nH]nc21 913594839 WIINEPACGUYWIT-SNVBAGLBSA-N 339.317 2.953 0 50 EFAA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccn1 51245 ZPGGFVJYZINANE-UHFFFAOYSA-N 336.380 2.632 0 50 EFAA COc1cccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 352151 QLOFJRJIVNIGEZ-WFASDCNBSA-N 342.317 2.948 0 50 EFAA CC(C)N1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2ccccc21 466643 DWCFIXQUQARQPN-IBGZPJMESA-N 325.364 2.608 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)cc1C 802711 XGLVWJQEWKNOEZ-ZIAGYGMSSA-N 327.446 2.500 0 50 EFAA C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1 3504094 CYNKRHZDXVDIRS-GFCCVEGCSA-N 325.397 2.782 0 50 EFAA COc1cc(C(=O)Nc2ccc(C)c(C(=O)O)c2)ccc1OC(C)=O 4825804 UBKGGFAKHQMNJU-UHFFFAOYSA-N 343.335 2.879 0 50 EFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 4949347 ULEJQGPNQUGXAB-XAPLUZPNSA-N 325.773 2.938 0 50 EFAA OC[C@@H]1CCCN1c1cc(NCC2(C(F)(F)F)CCC2)ncn1 343925138 AJYBSPBVGLHLDL-NSHDSACASA-N 330.354 2.582 0 50 EFAA Cc1c(C)n(CCCO)c2ncn3nc(Cc4ccccc4)nc3c12 9184477 BKDLFEXZATVBSG-UHFFFAOYSA-N 335.411 2.669 0 50 EFAA O=c1cc(C2CCC2)ncn1C[C@H](O)COc1ccccc1Cl 134623086 QBAOLMOQCXMQOC-ZDUSSCGKSA-N 334.803 2.604 0 50 EFAA Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1C 282301611 BIXAUNTUMCDYSA-OAHLLOKOSA-N 347.436 2.823 0 50 EFAA CC(C)CN1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1 67921295 IEJSPHQZRHBZBN-GFCCVEGCSA-N 328.378 2.741 0 50 EFAA CC(C)c1cc(CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)on1 65370942 HQCHAMVCDYDZDG-INIZCTEOSA-N 327.384 2.631 0 50 EFAA O=S1(=O)CC[C@H](N[C@H](c2ccccc2)C(Cl)(Cl)Cl)C1 20280602 YEDTURFODVNLJO-WDEREUQCSA-N 342.675 2.875 0 50 EFAA CN(c1cccc(C(=O)Nc2ccc(F)cc2F)c1)S(C)(=O)=O 65363489 VIGVFMQBSFRYHP-UHFFFAOYSA-N 340.351 2.613 0 50 EFAA O=C(O)c1ccc(N2CCN(CCCc3ccccc3)CC2)nc1 65384219 URPLYCYJHNVUDC-UHFFFAOYSA-N 325.412 2.535 0 50 EFAA O=C(COCc1nc2ccccc2s1)N[C@H]1CCN2CCCC[C@@H]12 229385389 ILMMGKJRTOXNNA-ZFWWWQNUSA-N 345.468 2.556 0 50 EFAA O=C(Nc1cccc(Cl)c1F)N1CC[C@@H](CN2CCOCC2)C1 119769594 LVBBIRMACNZJFA-LBPRGKRZSA-N 341.814 2.665 0 50 EFAA COc1ccc(CN(C)c2cc([C@H]3CCCNC3)nc(C)n2)cc1 67540643 JCUAKGJBLFRBJT-INIZCTEOSA-N 326.444 2.897 0 50 EFAA O=C(Nc1ccn(CC(F)F)n1)Nc1c[nH]nc1-c1ccccn1 126609268 MADZDZVCLZOFJW-UHFFFAOYSA-N 333.302 2.577 0 50 EFAA C[C@@H](C1CC1)n1nccc1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C 253421035 YNZKTPVQOAVSAZ-LBPRGKRZSA-N 349.479 2.917 0 50 EFAA CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccoc2C2CC2)cc1 253431719 TYUINBFIEXWTRL-HNNXBMFYSA-N 344.411 2.711 0 50 EFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 71615151 MTAUJEVFOGBKKN-UHFFFAOYSA-N 341.386 2.895 0 50 EFAA CCc1cnc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 123738014 MPNYKFKZVPTPHE-YUELXQCFSA-N 335.473 2.805 0 50 EFAA O=C(Cc1cccc(Cl)c1)N1CCOC[C@H]1C[C@H](O)c1ccco1 159161941 XGMOIBIALQFGSF-CVEARBPZSA-N 349.814 2.827 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1c[nH]c2ccccc12 261845507 IZEMWMSIXUVUEO-VUCTXSBTSA-N 326.396 2.955 0 50 EFAA Cc1ccccc1-c1nc(CN2CCC[C@@H](Cn3cncn3)C2)no1 128462816 SWPYKBCGRQZUNJ-OAHLLOKOSA-N 338.415 2.549 0 50 EFAA CN(C(=O)CN1CCO[C@H](Cc2ccc(F)cc2)C1)c1ccccc1 71735782 ZMOHECKVFXJACB-LJQANCHMSA-N 342.414 2.732 0 50 EFAA Cc1nc(CCC(=O)N2CC[C@@H](C(=O)O)C2)oc1-c1ccccc1 237624629 VWMADCDLQIFGJI-CQSZACIVSA-N 328.368 2.516 0 50 EFAA Cn1ccnc1[C@@H]1CNCCN1C(=O)/C=C/c1cccc2ccccc12 375058166 GQWXGBSNIMKGOZ-YXBWYFRISA-N 346.434 2.760 0 50 EFAA Cc1cccc2c(CC(=O)N(CCC(=O)O)C3CCOCC3)c[nH]c12 237756513 ISRXRKXYKXYNOR-UHFFFAOYSA-N 344.411 2.501 0 50 EFAA COCc1noc(CCNC(=O)c2ccc(Oc3ccccc3)o2)n1 219876796 FVHLKRXIAXRWAX-UHFFFAOYSA-N 343.339 2.574 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc(=O)[nH]1 217031575 JDFLFEPRCLUHBR-INIZCTEOSA-N 336.395 2.927 0 50 EFAA O=C(c1ccccc1F)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72436067 IHSQDOGFYOELSZ-UHFFFAOYSA-N 343.354 2.964 0 50 EFAA Cc1nc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)n(C)n1 454153500 JBVMQEWUZITCCB-VIFPVBQESA-N 342.321 2.556 0 50 EFAA C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CCCCc2ccccc21 240278271 DPYMFAUMOQLLHV-ZVZYQTTQSA-N 332.444 2.635 0 50 EFAA O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ncc1Cl 131203286 CYRDXDYPXPKLJD-ZETCQYMHSA-N 342.148 2.755 0 50 EFAA CSCCc1ccc(NC(=O)N2CC[S@@](=O)CC[C@H]2C)cc1 241774161 RNPIZQXINFRVKA-DMZKTXOQSA-N 340.514 2.967 0 50 EFAA COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 342595239 WMPBDNBPTOMNLH-GOEBONIOSA-N 332.444 2.965 0 50 EFAA NC(=O)COc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1 456574678 UGXRHIMDPGRFDV-KRWDZBQOSA-N 340.379 2.511 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)C[C@H]2CCCN(C)C2)c(F)c1 72423929 PVTJWDDOPXAOIP-AWEZNQCLSA-N 346.450 2.998 0 50 EFAA CO[C@@H](C)c1noc(CN2CCC(Nc3ccc(F)cc3)CC2)n1 177667848 GLJWPDJOPZSZRR-LBPRGKRZSA-N 334.395 2.993 0 50 EFAA O=C1CCCN1CC1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 85479229 CSNUIGTXBIQWPE-LJQANCHMSA-N 340.467 2.653 0 50 EFAA O=C(CCc1cnccn1)NCc1cc(C(F)(F)F)ccc1F 19607867 YNQGPDCDXOWGOI-UHFFFAOYSA-N 327.281 2.884 0 50 EFAA Cn1nc(CNC(=O)[C@H]2Cc3ccccc3O2)c2c(Cl)cccc21 223384317 JRAVSXCCSHMDRH-MRXNPFEDSA-N 341.798 2.847 0 50 EFAA CCn1c(Cn2cccn2)nnc1C1CCN(C2CCCC2)CC1 91635441 LKAQYZQEARETCK-UHFFFAOYSA-N 328.464 2.665 0 50 EFAA CCc1nnsc1C(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 95390467 PQYPLCREFTZZPH-GFCCVEGCSA-N 333.461 2.898 0 50 EFAA Cc1noc(CSCC(=O)NCc2ccc3c(c2)CCCC3)n1 426522983 RCMYLKJSHGNTIC-UHFFFAOYSA-N 331.441 2.806 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Cc1ccc(C)cc1 181315530 GPPAKUBIBDQMTJ-GOEBONIOSA-N 326.444 2.979 0 50 EFAA Cc1nc(-c2nc([C@H]3COCCO3)n(-c3ccc(F)cc3)n2)cs1 96135725 SVGFMJGMIMSEKZ-CQSZACIVSA-N 346.387 2.926 0 50 EFAA O=C(NCCCCCN1CCOCC1)Nc1cc(F)c(F)c(F)c1 96133010 WXZJLOQHJJKKCJ-UHFFFAOYSA-N 345.365 2.728 0 50 EFAA CC1(C)C[C@H](NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)CCO1 296632943 VTMILWQNXZTYDA-CYBMUJFWSA-N 333.432 2.754 0 50 EFAA O=C(N1CC[C@@]2(CCCNC2=O)C1)C1(c2ccc(Cl)cc2)CCC1 91745215 WWBPMEKJERDYHL-SFHVURJKSA-N 346.858 2.890 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(Cc2ccc(C(C)=O)cc2)C1 92078840 LOGHPIJYBVOQIL-IBGZPJMESA-N 333.428 2.983 0 50 EFAA Cc1ccccc1SCC(=O)N[C@H]1CC[C@H](n2cnnc2)CC1 244900182 ZXSQFBFIZKIKDF-SHTZXODSSA-N 330.457 2.979 0 50 EFAA COc1ccc(-c2noc(N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)n2)cc1OC 252516068 PWTZIQMXVDLSSP-KCPJHIHWSA-N 345.399 2.979 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 299745308 XUHZTQUQKLPSSJ-RTXFEEFZSA-N 327.302 2.742 0 50 EFAA O=C(c1cccc(O)n1)N1CCCN(CCCc2ccccc2)CC1 253536013 CCNLFHWOYUAXAR-UHFFFAOYSA-N 339.439 2.568 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 184742251 GKPMRIRYEIPQOT-LJQANCHMSA-N 343.515 2.841 0 50 EFAA Cc1cc2c(=O)n([C@H](C)c3nc(-c4ccccn4)no3)cnc2s1 32519419 NIVFLJFWNNQLAO-SNVBAGLBSA-N 339.380 2.821 0 50 EFAA Cc1c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)ccn1C 299768124 HSYMDTZGNBEWFJ-GOSISDBHSA-N 325.456 2.976 0 50 EFAA CCN1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1F 670472285 BOQAAZPGQZPGAE-CQSZACIVSA-N 348.871 2.773 0 50 EFAA NCc1cccc(C(=O)NCc2ccn(-c3cccc(Cl)c3)n2)c1 1875342496 URXCSUIDIMOHSP-UHFFFAOYSA-N 340.814 2.914 0 50 EFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cccc(-c2ccccn2)c1 1875400395 YLLHGASUMHJWPT-IOMROCGXSA-N 348.450 2.874 0 50 EFAA COC1(OC)CCN(C(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1O 952993769 QQJHZNRHRIHODY-ZDUSSCGKSA-N 342.823 2.544 0 50 EFAA O=C(NCc1cc(C2CC2)n[nH]1)N1CC[C@H](Oc2ccc(F)cc2)C1 1875276636 KNBPARCNAQLFGF-INIZCTEOSA-N 344.390 2.789 0 50 EFAA CC(C)c1nnc2n1C[C@H](Nc1ncnc(-c3ccccc3)n1)CC2 1875270177 GZSFMEZYLOVADW-CQSZACIVSA-N 335.415 2.680 0 50 EFAA O=C(NCCCc1nc2cccnc2[nH]1)c1c[nH]c2cccc(F)c12 1875387419 HPUYURAXVXFPQN-UHFFFAOYSA-N 337.358 2.941 0 50 EFAA CC(C)(C)OC(=O)[C@](C)(CNC(=O)N1C[C@@H]2C[C@H]2C1)c1ccccc1 889312047 TUXRFRFMXBPVLW-AUSJPIAWSA-N 344.455 2.947 0 50 EFAA CCOC(=O)c1[nH]c(C2CCN(Cc3nocc3C)CC2)nc1C 1775987334 DVCPDDIQFQJVDL-UHFFFAOYSA-N 332.404 2.571 0 50 EFAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 169988483 NZISYIDLYGDPIN-NUCGDHGJSA-N 330.428 2.539 0 50 EFAA O=C(NCCNc1ccccn1)N[C@@H]1CCOC2(CCCCC2)C1 170047203 ONELSARBOPWURE-OAHLLOKOSA-N 332.448 2.675 0 50 EFAA CC(C)Oc1cccc(CNC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1 170633731 FKPXUJHARBIBLR-XXAQJILISA-N 338.473 2.525 0 50 EFAA C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nc(C(=O)O)cs2)o1 170643352 IXZCXUNSMHHWEP-JAQYDWNVSA-N 332.381 2.887 0 50 EFAA CCC(CC)N1C[C@H](Nc2nc3ccccc3o2)C[C@H]1C(=O)NC 96132167 WADFNBHYIKXWPS-DOMZBBRYSA-N 330.432 2.617 0 50 EFAA C[C@@H]1COCCN1CCSc1nncn1-c1cccc(Cl)c1 188252464 HFEMKYNNNFDBFH-GFCCVEGCSA-N 338.864 2.734 0 50 EFAA CCc1nc2n(n1)C[C@H](N[C@@H]1CCSc3ccc(OC)cc31)CC2 191529782 JZFWAMPTFVYXGO-IUODEOHRSA-N 344.484 2.991 0 50 EFAA COC[C@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1 194270853 CTPCCNKZSWPCDO-LBPRGKRZSA-N 325.821 2.983 0 50 EFAA Cc1cc(Cl)cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 1529186456 DZVQVPLOJOJCJD-IVMMDQJWSA-N 334.847 2.977 0 50 EFAA CCCn1ncc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1C 1529177740 FLLQHLCJFGEEIW-RTBURBONSA-N 329.444 2.536 0 50 EFAA CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5868459 YHZDXVYGJNMJIC-OAHLLOKOSA-N 334.441 2.831 0 50 EFAA COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1OC 13632362 SGDQBGDGBDSBJJ-UHFFFAOYSA-N 335.425 2.615 0 50 EFAA O=C(NCCc1ccccc1F)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 223067393 AFFJGJURKFOLPN-MPGHIAIKSA-N 343.402 2.575 0 50 EFAA O=C1NCc2c(Cl)ccc(NCc3ncnn3-c3ccccc3)c21 1857531131 QUSKKCMBMOCSPS-UHFFFAOYSA-N 339.786 2.776 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc2c(c1)CCCO2 1857671923 XEXPVTFQWLKHQI-ZSZQSSIHSA-N 329.396 2.870 0 50 EFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2ccoc2)CC1 1857695086 SZMWIURVDNGFGE-UHFFFAOYSA-N 347.392 2.744 0 50 EFAA O=C(O)CCCN1CCO[C@@H](c2cccc(Br)c2)C1 116388845 MNNCSHNXLAPOJT-CYBMUJFWSA-N 328.206 2.687 0 50 EFAA N=C(O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2O)c1 328589966 OXFXNWJKVHOLGH-UHFFFAOYSA-N 341.776 2.751 0 50 EFAA CC1(C)CCc2sc(NC(=O)N[C@@H]3CCc4c[nH]nc4C3)nc21 333517184 JYZFYTPXRNXIKX-SNVBAGLBSA-N 331.445 2.769 0 50 EFAA O=C(NCC1(C2CC2)CCC1)N1CCN(c2cccc(O)c2)CC1 133180120 CJYLHLIWWISZGN-UHFFFAOYSA-N 329.444 2.804 0 50 EFAA C[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 252539002 NQUJIBFSHIZXMR-VQIMIIECSA-N 345.487 2.585 0 50 EFAA CNC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 266982765 ZPZYGVCQZSOQLG-SJKOYZFVSA-N 341.386 2.804 0 50 EFAA Oc1nc2c(NC3CC(OCc4ccccc4)C3)nc(Cl)nc2[nH]1 1651723210 PDBLNISABKLYPV-UHFFFAOYSA-N 345.790 2.872 0 50 EFAA O=C(O)c1cccnc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 846243408 AXWAHAVTJUZRFA-INIZCTEOSA-N 334.322 2.632 0 50 EFAA COC[C@@H](COC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)OC 849722100 SXEQWTUSVLRLRC-AWEZNQCLSA-N 347.415 2.517 0 50 EFAA O=S(=O)(c1cccc2ccncc12)N1CCC[C@@H]1[C@H]1CCCO1 915349260 RZULTGUUMMGGOG-HZPDHXFCSA-N 332.425 2.567 0 50 EFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@H]1CCc1ccccc1 917702244 DGGQATKWQNAKIY-SJORKVTESA-N 333.453 2.559 0 50 EFAA C[C@@H](NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccc2c(c1)CCO2 850552154 MFCFIWZQEQBTCI-RPVQJOFSSA-N 327.428 2.783 0 50 EFAA O=C(CN1CCc2ccccc21)Nc1ccc(Br)cn1 13323345 PEGFTGWIGXPHSN-UHFFFAOYSA-N 332.201 2.845 0 50 EFAA CCN1C=C(C(=O)OC)C(c2ccccc2Cl)C(C(=O)OC)=C1 36516 KGLGDIYPICFMOH-UHFFFAOYSA-N 335.787 2.873 0 50 EFAA Cc1cc(C2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)no1 2325791309 NEGZRQYUIFRQJU-IBGZPJMESA-N 339.439 2.964 0 50 EFAA O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1OCc1ccccc1 102115 MQSYWXUBYANPAQ-UHFFFAOYSA-N 344.370 2.931 0 50 EFAA CC(=O)c1c(C)n(OCc2ccccc2)c2ccc3c(no[n+]3[O-])c12 195000 VBKCSOATXSGXKJ-UHFFFAOYSA-N 337.335 2.556 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 439087 NNGLYSSKKJVYLX-UHFFFAOYSA-N 344.392 2.609 0 50 EFAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 523971 NAAMEWRPPKCUGI-UHFFFAOYSA-N 339.424 2.916 0 50 EFAA COc1ccc(C(=O)Cn2c(NCCCO)nc3ccccc32)cc1 1833493 AUZZHJZLYCAGRD-UHFFFAOYSA-N 339.395 2.722 0 50 EFAA CN(C)c1ccc(-c2ccnc(N3CC[C@H](n4ccnc4)C3)n2)cc1 2356138294 LEWXAHYKVWQFCE-KRWDZBQOSA-N 334.427 2.858 0 50 EFAA COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)Cc1ccccc1 2840522 MSUKCIWTBPCDLG-UHFFFAOYSA-N 338.363 2.530 0 50 EFAA CC1(C)NC(=O)N(CCCOc2cccc(C(F)(F)F)c2)C1=O 2863274 PVNQJAVFZBCMMN-UHFFFAOYSA-N 330.306 2.805 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(c3noc(C4CCC4)n3)C1)CC2 2356158297 HFEHLUNOSJXVDG-SFHVURJKSA-N 325.416 2.920 0 50 EFAA COc1cnccc1-c1cccc(C(=O)NCCCn2ccnc2)c1 2356163469 FHSBKSJFHUFVIH-UHFFFAOYSA-N 336.395 2.774 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Cl)cc1 3855930 HIYIQDTVQNZMSU-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1c1ccccc1 6142255 QLLHXQLNUKRDJG-UHFFFAOYSA-N 326.783 2.843 0 50 EFAA COc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 6742787 OBGUHFHGVXPILH-UHFFFAOYSA-N 341.440 2.553 0 50 EFAA CCn1c(=O)n(C2CCCCC2)c(=O)c2cc(OC)c(OC)cc21 6759370 ANKPGLMMBYGSAH-UHFFFAOYSA-N 332.400 2.706 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c(C)o1 225685994 UPCZCVSAOOVBPD-HUUCEWRRSA-N 339.388 2.532 0 50 EFAA Cc1nc(C)c(CCC(=O)N2CCC[C@@]3(CC=CCC3)C2)c(=O)[nH]1 114438981 PGJYPFVJMONZRW-IBGZPJMESA-N 329.444 2.668 0 50 EFAA CCC(=O)Nc1cc(NC(=O)CSc2nccn2C)ccc1OC 9928130 HKRSBMREYLXWRL-UHFFFAOYSA-N 348.428 2.508 0 50 EFAA C[C@@]12CC=CC[C@H]1N2S(=O)(=O)c1ccc(Br)cc1 101043326 PKCQYNKMTQUWBW-HCYNLOQUSA-N 328.231 2.931 0 50 EFAA C[C@]12C3=C(CCCC3)[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 101054320 ARABCTRWRNZYMF-NEYJZJCJSA-N 347.418 2.973 0 50 EFAA C[C@H](CCc1ccco1)NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 50063248 PQMROONIMDVPHO-GFCCVEGCSA-N 342.399 2.613 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)N(C)CC3CC(O)C3)cc2C)c1 135363905 YRNZOTZQHSWQGS-UHFFFAOYSA-N 327.428 2.640 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 23379117 UOLHPQQEKDEQBK-UHFFFAOYSA-N 344.480 2.810 0 50 EFAA O=S(=O)(c1cccc2ccccc12)N1CC[C@]2(CCCNC2)C1 67589047 VVKZYVHIWQHICQ-SFHVURJKSA-N 330.453 2.604 0 50 EFAA CC(C)(C)N1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O 20996226 DZFHUAUMJQHEER-ZDUSSCGKSA-N 341.411 2.962 0 50 EFAA Cc1ccc(-c2ncc(CN=c3cc[nH]c(C(=O)N(C)C)c3)s2)o1 351547579 YPBFMWLXHJPCOP-UHFFFAOYSA-N 342.424 2.842 0 50 EFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 67489700 HSLGVHVYQJIXAX-GFCCVEGCSA-N 347.440 2.825 0 50 EFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)n1 67954696 YBOLJPHAZJIMPU-CYBMUJFWSA-N 343.431 2.888 0 50 EFAA Cc1nc(CN2CCN(C[C@@H](O)c3ccccc3)[C@@H](C)C2)oc1C 229376607 YJFHVHWSHRARRR-KBXCAEBGSA-N 329.444 2.531 0 50 EFAA COCCOC1CCC(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 331863496 FZFZNTRZQFYACW-VLOYRQLPSA-N 347.455 2.543 0 50 EFAA COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(C)c2ccccc21 20064230 FOTLXRGULOUVND-FQEVSTJZSA-N 333.391 2.542 0 50 EFAA biogenic CCCCN(C)c1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1 120969274 ZCSYUYGBFRCAGD-SFHVURJKSA-N 327.428 2.781 0 50 EFAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1(C)C 252516932 YBVIUSPPQORURS-UXLLHSPISA-N 328.460 2.800 0 50 EFAA C[C@@H](CS(=O)(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccccc1 325376566 VCSHDQXKVZIOPE-AWEZNQCLSA-N 347.436 2.950 0 50 EFAA CN(CC[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1 12040677 OQSLRNGICLTXHJ-ROUUACIJSA-N 348.418 2.931 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cnc(Cl)s1 328628933 OESOPOSEHWAGRP-AAEUAGOBSA-N 326.853 2.767 0 50 EFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2noc3c2CCCC3)c1=O 328628683 HMPNKVKUJUDZAQ-WBMJQRKESA-N 346.431 2.638 0 50 EFAA O=C(CCCn1cccn1)NCCOc1ncc(Cl)cc1Cl 355038313 KYNRSZPLVXMLNV-UHFFFAOYSA-N 343.214 2.560 0 50 EFAA CC(C)Nc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cn1 67783692 VFUWZVWGNHDFCL-HNNXBMFYSA-N 341.411 2.814 0 50 EFAA COc1ccccc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C 2775657 PIWAGLASPWIFOE-UHFFFAOYSA-N 338.820 2.517 0 50 EFAA CC[C@H]1CN(C(=O)c2ccncc2)CCC(=O)N1Cc1ccccc1 71752915 OGMCILHGARONPJ-SFHVURJKSA-N 337.423 2.735 0 50 EFAA CN(c1cc(Br)ccn1)[C@@H]1CCCN(c2cccnn2)C1 253430244 YBQKDUNZYGKXCR-CYBMUJFWSA-N 348.248 2.739 0 50 EFAA COc1ccc(CN2CCN([C@H](C)c3ccc(F)cc3F)CC2)nn1 283682484 WFHSCTUXCDYFGE-CYBMUJFWSA-N 348.397 2.642 0 50 EFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[C@H](CO)CC1 152404307 NXGYJVBXMPSEPV-OTWHNJEPSA-N 345.487 2.501 0 50 EFAA O=C(Cn1c(O)nc2ccccc21)N1CCc2c(F)ccc(F)c2C1 438353222 AWRVHMBQZQDSAT-UHFFFAOYSA-N 343.333 2.605 0 50 EFAA CCN(C(=O)Cc1cnn(C)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 363377007 VCYSTMFUUIMIKZ-APWZRJJASA-N 340.471 2.647 0 50 EFAA Cc1nccc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)O)C2)n1 71639324 LOVQNCZBEFDSTE-SFHVURJKSA-N 347.365 2.977 0 50 EFAA O=C(O)C1(n2ccnc2)CCN(Cc2cc3ccccc3o2)CC1 72435945 WQRYMNHTWHTYIE-UHFFFAOYSA-N 325.368 2.705 0 50 EFAA O=C(c1cnns1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 156701136 XNAWSTBHUATPOL-HOTGVXAUSA-N 342.468 2.665 0 50 EFAA CSCCC(=O)N1CCC(Oc2cccc(C)c2)(C(=O)O)CC1 72457733 FTHUZXFFKYXXBQ-UHFFFAOYSA-N 337.441 2.573 0 50 EFAA Cn1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1=O 240934387 JBSDXDKIDRMABB-SECBINFHSA-N 344.362 2.640 0 50 EFAA CC(C)c1nc(NCCCOc2cccnc2)c2cnn(C)c2n1 72167608 RKDCBSYFBPOXKW-UHFFFAOYSA-N 326.404 2.763 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(Cc3cccnc3N)CC2)OC1=O 72410981 PTSQNYPGQSELID-CQSZACIVSA-N 332.448 2.639 0 50 EFAA O=S(=O)(c1ccc(CSCCn2cccn2)cc1)C(F)F 176847871 BOJNYAFUPCUDQD-UHFFFAOYSA-N 332.397 2.813 0 50 EFAA O=C(NC[C@@H]1CCC[C@H]1O)c1nc2ccccc2cc1Br 289188695 ARCVXQFVBBMRAW-SMDDNHRTSA-N 349.228 2.888 0 50 EFAA Cc1nc(NCc2ccco2)sc1C(=O)NCc1ccccn1 44891297 WUTAMBIFBGSREN-UHFFFAOYSA-N 328.397 2.982 0 50 EFAA CC(C)(C)n1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1 426573018 GPHWCSDQQMIRCJ-INIZCTEOSA-N 326.396 2.895 0 50 EFAA O=C(NCC1CCN(C2CCCC2)CC1)N[C@@H](CO)c1ccccc1 426420865 YGYQWYZJTPWHOT-IBGZPJMESA-N 345.487 2.674 0 50 EFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CC1=CSC2=NCCN12 222808153 WNBRNBXBHZVFNU-NSHDSACASA-N 334.470 2.595 0 50 EFAA COc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccon3)[nH]n2)cc1 91644312 UZTOJOGLKAYMGM-LLVKDONJSA-N 326.356 2.907 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c(C)o1 95383507 QHEFUMIBNYRHNI-DOTOQJQBSA-N 332.444 2.612 0 50 EFAA C[C@@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@H](c2ccccc2)O1 237635354 RUZVTSOLPRSLKL-CXAGYDPISA-N 325.364 2.987 0 50 EFAA Cn1cnnc1CCC(=O)N(Cc1ccccn1)C1CCCCC1 97604078 RZRMIWCAUVIFIC-UHFFFAOYSA-N 327.432 2.504 0 50 EFAA Cc1nc(CC2CCN(C(=O)CC3CCN(C(C)C)CC3)CC2)no1 95498014 PWLHXVJFGNHNEF-UHFFFAOYSA-N 348.491 2.670 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@H]1CCOc2ccccc2C1 97635055 ZDQVQFDAEGEDQF-INIZCTEOSA-N 328.412 2.982 0 50 EFAA C1CCc2c(nc(N3CCCC3)nc2-c2nc([C@H]3CCOC3)no2)C1 96141657 WMSBKIKRQBMZCY-LBPRGKRZSA-N 341.415 2.510 0 50 EFAA Cc1nn(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1Cl 95355314 CATHOJKIIDNOFW-UHFFFAOYSA-N 343.818 2.689 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)c2cnn3c(C)cc(C)nc23)c1 97117041 LXPAPOHBENVZFG-QGZVFWFLSA-N 336.395 2.942 0 50 EFAA COCc1cc(CN2CCC[C@@H](Oc3ccccc3OC)C2)no1 298217968 ZWAIXLCZHHEYAD-OAHLLOKOSA-N 332.400 2.873 0 50 EFAA COC(=O)[C@@H](NC(=O)/C(C)=C\c1ccc(F)cc1)c1ccc(O)cc1 184109609 RYNISZRAWYKWAH-CPFIRTDXSA-N 343.354 2.965 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCOc2ccccc21 268954401 WCDXBYCFJWMLDG-TUUVXOQKSA-N 329.396 2.797 0 50 EFAA CCn1cc(CNC(=O)N(Cc2ccc(OC)cc2)C2CC2)cn1 357975432 BPQWXVASRNXBGT-UHFFFAOYSA-N 328.416 2.786 0 50 EFAA Cc1ccc(C)c(OCCCN(C)C(=O)N[C@H]2CCCN(C)C2)c1 534642238 PUKSOFOHYFQAPM-KRWDZBQOSA-N 333.476 2.808 0 50 EFAA CN(C)CCN(C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 534659611 UXRPKTRJGBUDSP-UHFFFAOYSA-N 332.835 2.618 0 50 EFAA COc1ccc(C(=O)O)cc1CN1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 299774173 DLKFWBCNZQKWFS-VDZJLULYSA-N 349.427 2.552 0 50 EFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1cncc(F)c1 670451568 YUWGVRNMFIYTEO-QGZVFWFLSA-N 328.391 2.573 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2C[C@@H](C(=O)O)C[C@@H](N)C2)cc1 1875305882 LHNAWVYDWMAZLS-UONOGXRCSA-N 344.436 2.598 0 50 EFAA COc1ccccc1[C@]1(C)C[C@@H]1N=c1[nH]c(Cl)nc2c1COCC2 1875394979 DOYITLBFJVHXEE-YJBOKZPZSA-N 345.830 2.775 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2[nH]ccc2C2CC2)C3)o1 952851524 MJSRXYSVLVABPO-UGSOOPFHSA-N 326.400 2.777 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)NC[C@@H](C)C(F)(F)F)sc2n1 1875262443 NNYGVUFKSNCNOI-RXMQYKEDSA-N 332.351 2.819 0 50 EFAA COc1nscc1[C@@H](C)Nc1ccc(N2CCOCC2)nc1C 1875285737 XRQPDIIUKICSQC-LLVKDONJSA-N 334.445 2.865 0 50 EFAA O=[S@](CCCOc1ccc(F)cc1)Cc1ccn(CCF)n1 1875279341 SWUBKMIRMDMQCU-JOCHJYFZSA-N 328.384 2.710 0 50 EFAA COc1cc(NC(=O)N2CCC(c3nc(C)c(C)s3)CC2)n(C)n1 881241099 DPGQWNWNXMXCCU-UHFFFAOYSA-N 349.460 2.914 0 50 EFAA CC1CCC([C@H](N)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 958527877 IBYMSXZKVQMSJW-ZUBZBLCWSA-N 326.481 2.902 0 50 EFAA Cc1ccc(CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)cc1O 271459096 WXLCNSWIVLWCDU-HNNXBMFYSA-N 341.411 2.910 0 50 EFAA Cc1cc2nc(NC(=O)C(C)(C)S(C)(=O)=O)sc2cc1F 1772135066 WOFVDZVLKKKEID-UHFFFAOYSA-N 330.406 2.506 0 50 EFAA CC[C@@H](CO)N1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 892130992 BCWKABLDPJOXFT-SFHVURJKSA-N 341.455 2.762 0 50 EFAA CC(C)n1cc(S(=O)(=O)N(C)c2ccc3ncccc3c2)cn1 1775992142 JVSPNRBNUAFALQ-UHFFFAOYSA-N 330.413 2.837 0 50 EFAA O=S(=O)(N[C@H](c1cccs1)C1CC1)c1cnn2ccccc12 1185029637 IEWGPTDOOZFXFI-HNNXBMFYSA-N 333.438 2.825 0 50 EFAA Cc1conc1CS(=O)(=O)N(C)Cc1cccc(C(F)(F)F)c1 1462964813 XBVWJNDSZDTPFB-UHFFFAOYSA-N 348.346 2.964 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)c2cccnc12 1565515880 IREBAWCQDRAVSN-OLZOCXBDSA-N 342.395 2.703 0 50 EFAA N[C@H]1CCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C[C@@H]1O 1565531436 UCTJXLJDECBVNH-MJROMLDESA-N 347.528 2.505 0 50 EFAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)C[C@H]1C=CS(=O)(=O)C1 1363795164 RBNPYUXXGWFAKJ-GDBMZVCRSA-N 333.453 2.730 0 50 EFAA CN1CCC(N[C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 279131017 YGDUYNYSMMTCDF-INIZCTEOSA-N 331.460 2.724 0 50 EFAA O=C(OCc1nc2ncc(Br)cc2[nH]1)[C@@H]1C[C@H]1C1CC1 170656467 DJPJQYPLIVDITK-VHSXEESVSA-N 336.189 2.810 0 50 EFAA O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccc(F)c(Cl)c1 170713853 PGSGMYJCPNKAHM-ZDUSSCGKSA-N 325.815 2.588 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)c1 280317199 UEHPUTASYSMWPM-AEFFLSMTSA-N 331.456 2.706 0 50 EFAA COC[C@H]1[C@@H](NC(=O)C2(c3ccccc3)CCCC2)[C@H]2CCO[C@H]21 1074589254 VRVPTZPXSQXFAJ-VSZNYVQBSA-N 329.440 2.665 0 50 EFAA Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCCCO3)C2)c1 189643296 MVCZXRZXFQAEQG-OAHLLOKOSA-N 331.416 2.793 0 50 EFAA C/C(=C\C(=O)N1CCO[C@@H](c2noc(C)n2)C1)c1ccc(F)cc1 222227313 FUIRGPGDFOLPSN-SLZMIMFISA-N 331.347 2.521 0 50 EFAA O=C1NC2(CCCCC2)C(=O)N1CCCNCc1ccc(Cl)o1 642340517 LMIOCOZPKIEJFE-UHFFFAOYSA-N 339.823 2.667 0 50 EFAA CC(=O)Nc1ccc(CCNC(=O)CCc2nc(C)cs2)cc1 225507222 YXVNMGRWHHZZLS-UHFFFAOYSA-N 331.441 2.701 0 50 EFAA O=C(O)C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1 190475275 MSAKBHCDVLOHCY-QWHCGFSZSA-N 346.408 2.940 0 50 EFAA COC(=O)[C@]1(C)CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCC2 190734742 MTEOSECQRQVZKI-FQEVSTJZSA-N 343.423 2.692 0 50 EFAA C[C@@H]1CCCN(C(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 194870992 FJIRNNBHPLOIBT-CQSZACIVSA-N 338.473 2.563 0 50 EFAA CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 195326681 WRQNNUDXAFKXOW-KGLIPLIRSA-N 334.441 2.764 0 50 EFAA COCc1csc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(C)c2)c1 659157549 RJELQBUDLZMKRW-CQSZACIVSA-N 337.372 2.898 0 50 EFAA Cc1cccc(NC(=O)CC(=O)NCc2ccc3nc[nH]c3c2)c1C 1506416661 FRAOAFFAFYCSTC-UHFFFAOYSA-N 336.395 2.825 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)CSc3nnc(C)o3)s2)cc1 1529181779 PCRGFKNKBDASKQ-UHFFFAOYSA-N 347.425 2.936 0 50 EFAA COc1ccc(-n2cc([C@@H](C)Nc3ncc(F)c(OC)n3)cn2)cc1 1704330799 GIPZCVXJIWKNRZ-LLVKDONJSA-N 343.362 2.992 0 50 EFAA CN(C)c1nccnc1NC1CCN(CCc2ccccc2)CC1 1704338746 YOTWGQLNNYTFQB-UHFFFAOYSA-N 325.460 2.662 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c(C)s1 1704299225 FXGIAAJUKLEEIH-HUUCEWRRSA-N 329.487 2.681 0 50 EFAA O=C(O)c1cc(Br)cc(NS(=O)(=O)c2ccoc2)c1 349078375 DUIUGAGCLTXEDN-UHFFFAOYSA-N 346.158 2.541 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616078260 AQKOLZIXKFKESX-RDJZCZTQSA-N 334.847 2.584 0 50 EFAA CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(OC)ccc21 12390957 XGCUTZJRQJSUFG-UHFFFAOYSA-N 326.352 2.553 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1F 12404471 PRCZXDATIMXUFE-UHFFFAOYSA-N 328.343 2.550 0 50 EFAA C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2n[nH]c(N)n2)C1 13942796 BAEMSZIXYSMIIN-JTQLQIEISA-N 341.440 2.899 0 50 EFAA Cc1ccccc1CN1CC[C@@H](N(C)Cc2nonc2C)CCC1=O 15007468 HWAZSERQZAMLTM-KRWDZBQOSA-N 342.443 2.700 0 50 EFAA COc1cccc(OC[C@@H](O)CN[C@@H](C)CC(C)(C)SC)c1 19884547 VCGPUPUUSGONAO-KBPBESRZSA-N 327.490 2.945 0 50 EFAA O=C(NCC1CC1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759692 MOEIYSJHBPQEOA-INIZCTEOSA-N 331.803 2.948 0 50 EFAA CCC[C@@H](C)CC(=O)N1CCOC2(CCS(=O)(=NCC)CC2)C1 1857528039 YTURQQPVDGXDDJ-YWNJXLEPSA-N 344.521 2.692 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c(C)nc2cc(C)ccn12 1857667048 PPPYIMOWFKEXDB-IQUTYRLHSA-N 341.411 2.809 0 50 EFAA COc1ccc([C@H](c2ccncc2)n2cnc3cc[nH]c3c2=O)cc1 1857671277 CPFRUFOQJNKUNR-GOSISDBHSA-N 332.363 2.766 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)c1c[nH]nc1C1CCCCC1)C2 1857679170 GYQBZKGYYZWVGK-SFHVURJKSA-N 346.431 2.514 0 50 EFAA Cc1ccc(N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)nn1 1857716306 GOIFJXIHRIHTHR-UHFFFAOYSA-N 337.427 2.642 0 50 EFAA CCCC[C@@H]1CN(CCCc2cnc3ncnn3c2)C[C@H](C2CC2)O1 1857720266 MCCNBVWVCKPVJY-QZTJIDSGSA-N 343.475 2.727 0 50 EFAA Cc1sc2ncnc(N[C@@H]3C[C@H]4CO[C@H](C5CC5)CN4C3)c2c1C 1857734406 RRFYWDONAGUKCI-ILXRZTDVSA-N 344.484 2.972 0 50 EFAA COc1cccc(C2(C(=O)N3CC[C@@](C)(C(=O)O)C3)CCCC2)c1 237344327 NQHKRTTYOUOFJP-GOSISDBHSA-N 331.412 2.830 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ccc(Br)cc1F 237490464 IQIZBNFJWJGULC-GWCFXTLKSA-N 343.240 2.859 0 50 EFAA CCCC[C@@H]1CN(c2ccc(S(C)(=O)=O)cn2)C[C@H](C(C)C)O1 1875240567 DDUOLDOMMBQEPX-GDBMZVCRSA-N 340.489 2.905 0 50 EFAA Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nnc[nH]3)no2)s1 123069888 DIBXICSNFLHVJH-JTQLQIEISA-N 346.416 2.742 0 50 EFAA Cn1cc(NC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cn1 124078582 QFZIFRGHXRRVBQ-UHFFFAOYSA-N 337.786 2.567 0 50 EFAA Cn1nnc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)n1 333032800 HVACLSCBUNTTPA-CQSZACIVSA-N 336.237 2.604 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nccc(N)n1 131755228 FARAVSYEINETGV-SNVBAGLBSA-N 338.333 2.573 0 50 EFAA O=C(Oc1ccccc1)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 252487247 UWVKIHKMCZVLLE-FVQHAEBGSA-N 328.412 2.766 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)CC1 681941382 MKPMNOVKWGGDBG-ZDUSSCGKSA-N 348.374 2.583 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 902013468 BNYUKTOPZOFVJI-HOCLYGCPSA-N 339.395 2.951 0 50 EFAA Cn1cncc1[C@@H](CO)NC(=O)c1csc(C2CCCCC2)c1 825532320 VFVRFQYBIDGGFX-CQSZACIVSA-N 333.457 2.993 0 50 EFAA O=C(NCCOCC(F)(F)F)c1ccc(CN2CCCCC2)o1 929768252 QPYFRMSPRWLJGG-UHFFFAOYSA-N 334.338 2.574 0 50 EFAA Cn1nnc(NC(=O)N2CCC[C@]2(C)Cc2cc(Cl)cs2)n1 932248641 JAAZETYALNUIJZ-CYBMUJFWSA-N 340.840 2.554 0 50 EFAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1cccc(OC(C)(C)C)c1 934056278 VMWQUBXVCCRCLE-RHSMWYFYSA-N 349.475 2.783 0 50 EFAA O=C(c1cncs1)N1CC[C@@H]2CN(Cc3nccs3)C[C@@H]2CC1 946505970 PUFFULHWYYLQSA-BETUJISGSA-N 348.497 2.584 0 50 EFAA O=S1(=O)C[C@H](NC2CCC3(CCCCO3)CC2)C12CCCC2 2325784362 XIVAOEMBZBLSSD-PCKAHOCUSA-N 327.490 2.568 0 50 EFAA CSC1(CNC(=O)c2ccccc2N2CCC(N)CC2)CCC1 2325795690 TXBVEFZGJXEUGA-UHFFFAOYSA-N 333.501 2.630 0 50 EFAA Cn1ncc(N[C@H](CO)c2cccc(Cl)c2Cl)c(Cl)c1=O 2325824523 FJSLIZPSKKHUOW-SNVBAGLBSA-N 348.617 2.886 0 50 EFAA CC(=O)Oc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1 459393 OUHQEAOBYKXJKG-UHFFFAOYSA-N 325.364 2.751 0 50 EFAA Cc1noc([C@H](NC(=O)N[C@H](C)[C@H]2COc3ccccc32)C(C)C)n1 246811044 PVZKQTRFOJHSNF-DJSGYFEHSA-N 344.415 2.939 0 50 EFAA Cc1csc2ncc(C(=O)Nc3nc4ccccc4s3)c(=O)n12 6234686 JAXYMEZJYCMCAU-UHFFFAOYSA-N 342.405 2.926 0 50 EFAA Cc1nc(S)sc1CC(=O)NCCC[C@@H]1CCCC[C@H]1O 134478897 BKGLENWXYJLZPG-NWDGAFQWSA-N 328.503 2.730 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)CCNC(=O)c1ccc(F)cc1 55168661 OSJWANFGWOGXDS-LLVKDONJSA-N 335.404 2.622 0 50 EFAA Cc1ccccc1[C@@H](CN1CCOCC1)N[C@H]1C[C@H](C)O[C@H](C)C1 248504297 VLSGXEWIJMKERW-AJYBTWMASA-N 332.488 2.914 0 50 EFAA Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ncnn1C 23231991 GIPKEDZLEZAWAA-MRXNPFEDSA-N 334.427 2.965 0 50 EFAA CCC(=O)Nc1ccc(OCC(=O)N[C@@H](C)Cc2ccncc2)cc1 65467280 AVRMTTMPCRGIDR-AWEZNQCLSA-N 341.411 2.556 0 50 EFAA O=C(NCc1cccnc1)C1(Oc2ccc(Cl)cc2)CCNCC1 65375191 MVGILRKASJQVCS-UHFFFAOYSA-N 345.830 2.552 0 50 EFAA COc1ncc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 65395919 ZQJOFSYILXGXLT-VQTJNVASSA-N 349.434 2.989 0 50 EFAA CC(C)(C)SCCNC(=O)c1ccc(CN2CCOCC2)cc1 22288898 CQYDQECKZFUCFO-UHFFFAOYSA-N 336.501 2.780 0 50 EFAA COc1cccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c1 61279837 BBNHIJVMJHBZKT-UHFFFAOYSA-N 344.386 2.562 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cc(CC(C)C)on2)n1 65501975 XYCNWWQDXNCPJE-UHFFFAOYSA-N 342.321 2.920 0 50 EFAA O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@H](Nc2cccc(F)c2)C1 12307138 CRYJOEWWFVUEPT-OAHLLOKOSA-N 339.374 2.814 0 50 EFAA C[S@@](=O)Cc1cccc(NC(=O)[C@H]2OCCc3ccccc32)c1 121436012 CBCDOXWNUCPVDU-SBUREZEXSA-N 329.421 2.818 0 50 EFAA CC(C)c1cc(NC[C@@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1 72150113 XRVYAHUFRZGRRT-AWEZNQCLSA-N 341.459 2.913 0 50 EFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CCOCC2)CC1 219136422 XSBGYZJNUOAYKS-LJQANCHMSA-N 342.483 2.852 0 50 EFAA C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1Cn1cncn1 257365680 FZBRUASNXSWICB-NEPJUHHUSA-N 330.417 2.615 0 50 EFAA Cc1cc([C@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)on1 72419186 UXDIFLMCKWFFCV-IBGZPJMESA-N 338.411 2.870 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2cccn2C2CC2)N2CCOCC2)o1 180061051 AYWVTPUOTGQAQB-QGZVFWFLSA-N 343.427 2.528 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)[C@H](C)c2cc3ccccc3o2)o1 328616067 ZYUHYUFHRZWEMD-BXUZGUMPSA-N 341.367 2.828 0 50 EFAA CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccsc2)C1 11662432 SMZSFCPEEAKGQF-QGZVFWFLSA-N 329.469 2.922 0 50 EFAA COc1cccc(CC2CCN(C(=O)C3CCN(C)CC3)CC2)c1 363757880 DHJSUVKSKZMJQH-UHFFFAOYSA-N 330.472 2.818 0 50 EFAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nccc(Oc2ccccc2)n1 365123027 NCVYVAJUDQTNEP-BPUTZDHNSA-N 338.411 2.892 0 50 EFAA O=C1CC[C@]2(CCCN(c3ccccn3)C2)CN1Cc1ccncc1 72430918 WUNWYLUKBTZWAX-FQEVSTJZSA-N 336.439 2.886 0 50 EFAA CC(C)(C)CN1C[C@@H](C(=O)O)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 71764586 FJNXXEPNNGMPLV-OLZOCXBDSA-N 336.407 2.833 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)NCc2cccn2C)c2ccccc21 372062048 CUOQQZAXPFWTCD-OAHLLOKOSA-N 325.412 2.572 0 50 EFAA CC(C)(C)c1nc(CN2CC[C@H](Cc3cccc(C(N)=O)c3)C2)no1 72165003 UORLOKLJFRVMSR-CQSZACIVSA-N 342.443 2.531 0 50 EFAA COc1ccc(N(Cc2ccco2)C(=O)[C@H]2C[C@H]2C(=O)O)cc1F 262380010 IDSTVPPVRWREBW-QWHCGFSZSA-N 333.315 2.681 0 50 EFAA CCOC(=O)c1ccccc1NC(=O)N1CCO[C@H](C(F)(F)F)C1 71497584 GPXWVUQJSRFMLA-LBPRGKRZSA-N 346.305 2.658 0 50 EFAA NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)c(C(F)(F)F)c1 375500818 YXDCHNPASXJHTJ-MJVIPROJSA-N 330.325 2.930 0 50 EFAA CCc1nsc(N2CC[C@H](Oc3cccnc3N3CCCC3)C2)n1 377159969 WFQLHISTORUQME-ZDUSSCGKSA-N 345.472 2.753 0 50 EFAA CC(=O)N1C[C@H](CCc2nc(-c3nccn3C)no2)c2ccccc21 377492151 OTFRGGJTCOWZSX-ZDUSSCGKSA-N 337.383 2.553 0 50 EFAA COc1cc(NC(=O)c2cc(C(C)(C)C)nn2C)ccc1C(=O)O 262848268 CWXKDMVXBMFEFF-UHFFFAOYSA-N 331.372 2.677 0 50 EFAA C=Cc1cccc(-c2nccn2CCCN2CCC(C(N)=O)CC2)c1 72410936 OEJOOYWTWZAWNT-UHFFFAOYSA-N 338.455 2.781 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)c2ccccc2o1 237981518 SWAYUEQPIZBEMA-UBHSHLNASA-N 341.363 2.651 0 50 EFAA Cc1nc[nH]c1-c1nccn1CCN1N=C(c2ccccc2)CCC1=O 72480549 RJRDTVGGDFYMIV-UHFFFAOYSA-N 348.410 2.608 0 50 EFAA CCc1ccc([C@@H](O)CNC2CCN(C(=O)c3ccoc3)CC2)cc1 285406876 CWPNBTBXVLGKKG-IBGZPJMESA-N 342.439 2.770 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286384415 QJADKCURYRXSQS-OCHJOZIMSA-N 343.467 2.959 0 50 EFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)[C@@]2(C)CC2(F)F)c1 263275828 WQGWZXXHKUCVSN-OAHLLOKOSA-N 335.310 2.863 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)c2ccc(CC)cc2)n1 82230728 DFBLUWUGECGHNV-UHFFFAOYSA-N 327.432 2.621 0 50 EFAA Cn1ncnc1CN1CCOc2cc(Br)c(Cl)cc21 177370457 XGQBBIUHYMDYRN-UHFFFAOYSA-N 343.612 2.630 0 50 EFAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2sccc2S(=O)(=O)N(C)C)C1 246207474 OLNPAALAUZAIFA-GDNZZTSVSA-N 344.502 2.553 0 50 EFAA Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ncn(C(C)(C)C)n1)CCC2 291989437 GPBCPVDFXRNTFS-LBPRGKRZSA-N 333.461 2.948 0 50 EFAA CCn1c(C)cc(C(=O)CN2C(=O)COc3ccc(OC)cc32)c1C 220960348 ZMEBJMSGCUDSLZ-UHFFFAOYSA-N 342.395 2.742 0 50 EFAA COc1ccc(C(=O)NCc2cc(C)ccc2C)c(OCCN)c1 426412327 CRKFELSWKYIZNP-UHFFFAOYSA-N 328.412 2.580 0 50 EFAA O=C(NCCCNc1cccnc1)[C@H]1CCOc2ccccc2C1 95526853 XGHPOXOSYBGYCN-INIZCTEOSA-N 325.412 2.641 0 50 EFAA CCc1c(C)nn(C)c1NC(=O)NCC[C@H]1COc2ccccc2O1 95506816 XVIKFQLADVCPFF-ZDUSSCGKSA-N 344.415 2.643 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc2nccn2c1 91305086 VEXPTEWTFYSMBT-UHFFFAOYSA-N 333.351 2.657 0 50 EFAA Cc1ccc([C@@H](CCO)NC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)cc1 97675272 DNLHLBXOBWWJHS-CQSZACIVSA-N 348.830 2.807 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3ccccn3)c(=O)[nH]2)cc1 91351231 VQZZHFXTLZYGHO-CQSZACIVSA-N 348.406 2.974 0 50 EFAA CCCCOC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91434109 OITLVDNMBGCQQU-GOEBONIOSA-N 331.416 2.555 0 50 EFAA Cc1ccc(CN(C)CC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 230508117 SQQVNTCTWJENPX-LJQANCHMSA-N 340.471 2.562 0 50 EFAA CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccccc2O)c1 230515245 CJWBRVNDHVRSEH-UHFFFAOYSA-N 337.397 2.990 0 50 EFAA CC[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CCN1C(C)C 96141225 PNFKDGGDVZJTDE-QGZVFWFLSA-N 330.476 2.627 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@H]1C1CC1 91650173 ZZWWDNDPOXTMAT-DLBZAZTESA-N 331.412 2.553 0 50 EFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1Cn1ccnn1 299739761 ARZCLUSZWMIUAD-AWEZNQCLSA-N 338.333 2.531 0 50 EFAA COCCn1cncc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 299803155 YLVGIFCPMBXXGB-UHFFFAOYSA-N 347.846 2.921 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2ccnn2-c2ccccc2)C1 299792055 FCBZVEAPXHTZTI-HNNXBMFYSA-N 339.443 2.963 0 50 EFAA CCCO[C@H]1CCCN(C(=O)NCc2ccc3nc(C)[nH]c3c2)C1 584888483 PJIQYXCCCAFXGD-HNNXBMFYSA-N 330.432 2.972 0 50 EFAA COc1cc(C)ccc1C(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 824539535 MDOQQVKSPFLKDS-CQSZACIVSA-N 342.395 2.631 0 50 EFAA Cc1ncsc1CCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 828062013 VQOFJPDFAWOTCT-SNVBAGLBSA-N 330.413 2.952 0 50 EFAA Cc1cccc(O[C@@H](C(=O)NCCCn2ccccc2=O)C(C)C)c1 670451098 WIPFOPGFMFAWKD-LJQANCHMSA-N 342.439 2.767 0 50 EFAA CCCn1cc(S(=O)(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cn1 670447612 YKMFGAGODSBKJC-GOSISDBHSA-N 347.484 2.939 0 50 EFAA COc1c[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1=O 670462245 VKVYPBJXSOAGIZ-CQSZACIVSA-N 342.395 2.724 0 50 EFAA CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)N1CCCOCC1 868931710 WJEIBDNTUDQXJQ-INIZCTEOSA-N 329.444 2.931 0 50 EFAA O=S(=O)(Cc1cccc(F)c1)N=[S@@]1(=O)CCc2ccccc21 1875289386 NURWNQRMCXAKSZ-OAQYLSRUSA-N 339.413 2.739 0 50 EFAA C=CC(=O)N[C@@H]1CCCN(C(=O)c2c(C3CCCC3)noc2C)C1 1875389575 TZOJUMKTBDMXMW-CQSZACIVSA-N 331.416 2.547 0 50 EFAA O=C1COc2cc(-c3ccc(N4CC[C@@H](O)C4)cc3)c(Cl)cc2N1 1875303685 IJZRSOVJWIJQBG-CYBMUJFWSA-N 344.798 2.909 0 50 EFAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](c3cccc(F)c3)C2)CC1 1875365549 XOORWADZQKDZJW-INIZCTEOSA-N 330.403 2.566 0 50 EFAA NC(=O)C[C@H]1CCN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)C1 952992004 HPYDYJBQCBMNEI-SNVBAGLBSA-N 349.797 2.714 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N(Cc2cccc(O)c2)C2CC2)c1C 952984237 PGCGOCFELDXCKW-UHFFFAOYSA-N 341.411 2.599 0 50 EFAA Cc1ccc(NC(=O)C2CCN(Cc3nccn3C3CC3)CC2)nc1 891667867 JDJGOGYJXCIOLR-UHFFFAOYSA-N 339.443 2.772 0 50 EFAA Cc1ccccc1[C@H](CN(C)C)NC(=O)CCCn1ccnc1C 1775999721 VGLSOWLTCNLYNJ-SFHVURJKSA-N 328.460 2.699 0 50 EFAA Cc1nc(N[C@@H](C)c2ncc(C(F)(F)F)[nH]2)c2cnn(C)c2n1 1776006291 TZEIWLUKFALHDH-LURJTMIESA-N 325.298 2.587 0 50 EFAA O=C(Nc1ccn2nccc2n1)c1cccc(C(=O)N2CCCCC2)c1 1338197395 CRLRAMAQWUTALW-UHFFFAOYSA-N 349.394 2.608 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCC(Cn3cccn3)CC2)cc1 276271844 HFHOYUCTISLTAO-UHFFFAOYSA-N 333.457 2.593 0 50 EFAA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 277596158 AKMIUWBIEHJSPU-NVXWUHKLSA-N 341.411 2.651 0 50 EFAA CC1(C)COC2(CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)OC1 169975696 GOLUACYAWQLJQF-UHFFFAOYSA-N 335.448 2.713 0 50 EFAA CN(CC1(c2ccccc2)CC1)C(=O)NCc1cccc(C(N)=O)c1 170086455 AUEDBWFJERGJRW-UHFFFAOYSA-N 337.423 2.659 0 50 EFAA C[C@H](Nc1ccc(N2CCOCC2)nc1)c1ccc([S@](C)=O)cc1 170592798 HCPLHWUHWZKTGM-BSEYFRJRSA-N 345.468 2.829 0 50 EFAA COc1cccc2c(N3CCC(N4CCNC4=O)CC3)c(C)cnc12 170604905 XLOSATSDCMVUNV-UHFFFAOYSA-N 340.427 2.546 0 50 EFAA Cc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1Br 170619321 HKRLSLXEAXRAFO-UHFFFAOYSA-N 335.205 2.685 0 50 EFAA CCC[C@@H](NC(=O)c1ccc[nH]1)C(=O)N1CCc2sccc2C1 171426238 OQZIBCGQYWROMC-CQSZACIVSA-N 331.441 2.560 0 50 EFAA C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cc1nc[nH]n1 636340248 PJRJYSODCNNCAF-OAHLLOKOSA-N 338.333 2.904 0 50 EFAA CC1=NO[C@H](CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 408522592 JZIURTPFHZWADO-AWEZNQCLSA-N 338.411 2.564 0 50 EFAA Fc1cccc(F)c1[C@@H]1CCN(Cc2nnnn2CC(F)(F)F)C1 191063526 JIJQCRUYZZUNNN-SECBINFHSA-N 347.291 2.503 0 50 EFAA O=c1ccn(Cc2nc(-c3csc4ccccc34)cs2)c(=O)[nH]1 194362903 ZLOQOFQKWOLRAM-UHFFFAOYSA-N 341.417 2.923 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)c1cc(N2CCCC2)ccn1 194495682 KBASKILZZAOLGE-UHFFFAOYSA-N 347.422 2.798 0 50 EFAA CN1C(=O)Cc2cc(NC(=O)C[C@@H]3OCCc4ccccc43)ccc21 194662816 HNIAZPRFUOSROV-SFHVURJKSA-N 336.391 2.848 0 50 EFAA CC(C)CNC1(CO)CCN(c2ncncc2-c2ccccc2)CC1 663961481 FATDPMDZCJCOPS-UHFFFAOYSA-N 340.471 2.721 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNC[C@H]2CCOc3ccccc32)cn1 666433736 HHXLWMXNJOBJLE-ZRGWGRIASA-N 327.428 2.654 0 50 EFAA CC(C)Cc1ccccc1C(=O)Nc1ccc(-n2nnnc2O)cc1 793948155 AVEYGINLXBLINJ-UHFFFAOYSA-N 337.383 2.819 0 50 EFAA COc1cc2c(cc1CNC(=O)CSc1nnc(C)s1)CCC2 1506396351 RWLZUWJKLHCICT-UHFFFAOYSA-N 349.481 2.752 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1C 1800414113 KYBLQVCKXFZOFB-HXUWFJFHSA-N 339.439 2.912 0 50 EFAA O[C@@H](CNC[C@@H]1COc2ccccc2O1)COc1ccccc1Cl 5685433 UZEMNULQSDGRJD-UONOGXRCSA-N 349.814 2.509 0 50 EFAA CSc1ncccc1C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 11839423 MIUIPYQZPRXQQT-CQSZACIVSA-N 347.484 2.715 0 50 EFAA Cc1nc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c[nH]1 12302729 CQOWXMZPZFKPDA-KRWDZBQOSA-N 334.423 2.762 0 50 EFAA C[C@H](OC(=O)[C@H]1CC=CC[C@H]1C(N)=O)C(Cl)=C(Cl)Cl 12380271 QHERVRWMFPILRD-RNJXMRFFSA-N 326.607 2.871 0 50 EFAA COCc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)o1 15067863 BTAJWRKJSRDMLA-OAHLLOKOSA-N 346.402 2.960 0 50 EFAA COc1cc(CN[C@H]2COc3ccccc3C2)cc(OC)c1OC 19771007 NLUSVSBMYPIWKU-OAHLLOKOSA-N 329.396 2.806 0 50 EFAA c1ccc(OC2CCC2)c(CNc2cc(N3CCOCC3)ncn2)c1 302901146 QOOVGBNFUSBOCB-UHFFFAOYSA-N 340.427 2.857 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2244130 FBUDYESOPLBQIR-NSHDSACASA-N 344.205 2.970 0 50 EFAA biogenic,in-vitro C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)c1cccnc1 112854606 NSGHOSAXSRWABL-YJBOKZPZSA-N 337.423 2.954 0 50 EFAA CCc1[nH]nc(C(=O)NCCC[C@@H]2CCCCO2)c1Br 330969792 SVWLDGKOAIZRKY-JTQLQIEISA-N 344.253 2.814 0 50 EFAA CN1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 245601017 VKRHWYHFCNXOQK-HZPDHXFCSA-N 336.863 2.897 0 50 EFAA CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 136177452 RSXDOUHFSUNKBE-SNVBAGLBSA-N 346.324 2.833 0 50 EFAA CC[C@@H](NC(=O)N1CCN(c2nccnc2C)CC1)c1ccccc1 374233015 YMDHMPSMRNBRCX-QGZVFWFLSA-N 339.443 2.768 0 50 EFAA CCCN1CCC(CNCc2cnnn2Cc2ccccc2)CC1 490864231 JUSAOMLVMSHSDX-UHFFFAOYSA-N 327.476 2.538 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCC(F)(F)F)C1)CC2 1704325013 IVYKQQIXTMBYJR-OAHLLOKOSA-N 327.350 2.934 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4ccccc34)C1)CC2 1704338588 VWAITDIHNDOGLD-FQEVSTJZSA-N 347.422 2.782 0 50 EFAA CCc1cc(O)nc(CN(C)C2CCN(Cc3ccccc3)CC2)n1 120932826 YGVDZPQERYPMGB-UHFFFAOYSA-N 340.471 2.841 0 50 EFAA CN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12 11691470 PPRXFFUMDSFSHC-UHFFFAOYSA-N 342.376 2.758 0 50 EFAA Cn1ncc2c1CCC[C@@H]2NC(=O)c1nnc(-c2ccccc2)s1 2325804681 FFGQPHLJVPKHSC-ZDUSSCGKSA-N 339.424 2.746 0 50 EFAA CCN1CCC[C@H](NC(=O)Nc2cnc(C(F)(F)F)c(C)c2)C1=O 931954218 OJWZHGXEKIBABG-NSHDSACASA-N 344.337 2.541 0 50 EFAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1OC 291919 WAHUZCMYTOEZBZ-AWEZNQCLSA-N 337.416 2.630 0 50 EFAA O=S(=O)(N[C@H]1CCCC[C@H]1NCc1ccco1)c1ccccc1 317237 OWODGFDXSCAERM-SJORKVTESA-N 334.441 2.659 0 50 EFAA c1ccc2c(c1)OC[C@H](c1nnc3sc(-c4ccncc4)nn13)O2 1016518 HUSINSMIQGQQLO-CYBMUJFWSA-N 337.364 2.760 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3ccc4nc(C)[nH]c4c3)C[C@H]21 2356149712 SBXCAZLSLVCDBA-YRNRMSPPSA-N 341.455 2.813 0 50 EFAA CC(C)OCCCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 2856768 FBIGNUBRKTULNM-CQSZACIVSA-N 342.823 2.527 0 50 EFAA c1ccc2c(c1)CCN(Cc1cnc(NC[C@@H]3CCCO3)nc1)CC2 2356161983 ROHLNDLGHRTPCW-IBGZPJMESA-N 338.455 2.668 0 50 EFAA CCCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 8714669 UXXOPIPVEIEISS-AWEZNQCLSA-N 327.446 2.631 0 50 EFAA COC[C@H]1CN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CCO1 172630132 GYEXCTMCKWXRBJ-FYCOFBDGSA-N 346.814 2.775 0 50 EFAA CCCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1 9142068 KTTUKCLSWMXPLY-UHFFFAOYSA-N 330.175 2.651 0 50 EFAA COc1ccc(F)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 104338035 OLFJIRFKHFGXQF-MRXNPFEDSA-N 338.467 2.749 0 50 EFAA COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cccc(Cl)n2)C1=O 55054150 FTFGDIDEBQEOSE-AWEZNQCLSA-N 346.770 2.592 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2nc(C)no2)c1 55393032 FHHXJIMCQOPRJJ-AWEZNQCLSA-N 328.372 2.704 0 50 EFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)C[C@H]2N=NC3=C2CCC3)n1 67974024 INMSZRPQXQUPEU-CXAGYDPISA-N 326.448 2.961 0 50 EFAA CC(=O)c1cc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cs1 20236060 IBUQYQIFGUTBPN-KRWDZBQOSA-N 338.517 2.865 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(OC)c1OC 249701589 YQDAEZKZHBLBQE-JKSUJKDBSA-N 332.444 2.793 0 50 EFAA COC[C@H](Nc1cc(C)nc(N2CCCCC2)n1)c1ccccn1 65500178 PTCMGMDGTJUBPH-INIZCTEOSA-N 327.432 2.970 0 50 EFAA CCc1cnc(C)nc1N1CCN(Cc2cccc(OC)c2F)CC1 65372261 AJWNGOAAAUAETR-UHFFFAOYSA-N 344.434 2.817 0 50 EFAA CO[C@@H](C(=O)N1CCCN(Cc2ccncc2)CC1)c1ccccc1 67947922 AZIRYPLLFBPDPD-LJQANCHMSA-N 339.439 2.504 0 50 EFAA Cc1nc2ccc(Cc3nc(CC4CCN(C)CC4)no3)cc2[nH]1 67714622 KYQMVLSKWXWRRJ-UHFFFAOYSA-N 325.416 2.729 0 50 EFAA C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229476716 LXXOZJIHMYCKNA-UKTARXLSSA-N 347.411 2.902 0 50 EFAA NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2Cl)C1 229575573 OKBGRQCEXKPISS-IAGOWNOFSA-N 330.815 2.940 0 50 EFAA COc1ccccc1CN(Cc1cccnc1)C(=O)c1cncnc1 63845716 UFRXXJCNPQVYLF-UHFFFAOYSA-N 334.379 2.723 0 50 EFAA CCC(=O)N[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 252493873 NFRDLOVMGBVVAJ-AWEZNQCLSA-N 348.397 2.641 0 50 EFAA CC(C)Oc1ccc(CN2CCN(c3cc(CO)ccn3)CC2)cc1 65386570 AAQOIRUOMONTKV-UHFFFAOYSA-N 341.455 2.683 0 50 EFAA CCc1nn(C)c(CC)c1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 328627420 GCDDXVMXJZGDKX-JXFKEZNVSA-N 341.503 2.723 0 50 EFAA COc1ccc(CN2Cc3cccc(C(=O)O)c3C2=O)cc1OC 1304670 RBCMSWHIMFOXRR-UHFFFAOYSA-N 327.336 2.558 0 50 EFAA CCC1(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CCCCC1 332375331 DCGKVUMVUJQLFE-UHFFFAOYSA-N 343.471 2.795 0 50 EFAA O=C(N[C@@H]1CCSc2ccccc21)N1CCC[C@@H](n2cncn2)C1 173377443 ZOLJLBWHNGZHMW-UKRRQHHQSA-N 343.456 2.862 0 50 EFAA CCc1cc(N2CCC3(CCCN(C)CC3)CC2)n2nccc2n1 72436600 PVSROFSTPLTYKC-UHFFFAOYSA-N 327.476 2.994 0 50 EFAA c1nc(N2CCCC2)ncc1CN1CCC[C@H](CN2CCCCC2)C1 77408283 SEUUOJBAQYKDNG-GOSISDBHSA-N 343.519 2.775 0 50 EFAA Cc1ncsc1CCS(=O)(=O)N1CCCC2(CCCC2)C1 333477128 XGYLGVSJYNQSQO-UHFFFAOYSA-N 328.503 2.980 0 50 EFAA COc1cccc2c(N3CCC[C@@H]3[C@H]3COCC[C@@]3(C)O)ccnc12 284585484 OJBHZRHVZMJAHJ-WRWLIDTKSA-N 342.439 3.000 0 50 EFAA C[C@@H]1C(=O)Nc2cc(C(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)ccc2N1C 333960313 KXZBDTDZWSUFRK-PZDGAKPMSA-N 339.439 2.724 0 50 EFAA Cn1c(C(=O)N2CC[C@@H](C(=O)O)C2)cc2cc(C(F)(F)F)ccc21 237714471 VWCZSYWRDSZXAH-SECBINFHSA-N 340.301 2.744 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1c(Cl)cnn1C 72417870 XNXCJTSYXPWOAR-UHFFFAOYSA-N 329.791 2.531 0 50 EFAA O[C@H]1Cc2ccccc2C12CCN(C1CSCCSC1)CC2 72159200 PKGUCHNQSKEKPR-KRWDZBQOSA-N 335.538 2.786 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 262755174 PCXCBVDUAGMOFA-ZDUSSCGKSA-N 344.367 2.861 0 50 EFAA CC[C@@]1(O)CCN(c2cc(C)c3ccc(SC)cc3n2)C[C@H]1O 72419163 LZFRRPWZBMNXNG-SJLPKXTDSA-N 332.469 2.977 0 50 EFAA C[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cc2cccc(F)c2o1 241774130 RNHIHRLCSSODHH-ONGXEEELSA-N 328.347 2.672 0 50 EFAA CC(C)(C)OC(=O)c1cnc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cn1 456240094 CKBIVCILXADKBO-CJNGLKHVSA-N 343.427 2.693 0 50 EFAA COc1ncccc1-c1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 20601459 YPEWZWJTZONJGJ-SFHVURJKSA-N 341.342 2.986 0 50 EFAA CN1C(=O)CC[C@H](C(=O)Nc2ccc3[nH]nnc3c2)[C@H]1c1ccccc1 177849213 JIAUIAGKHJXADV-KBXCAEBGSA-N 349.394 2.506 0 50 EFAA NC[C@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 178513704 YCBPBLGHGDVIOB-MRXNPFEDSA-N 348.450 2.765 0 50 EFAA CCOCC(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 82091251 XPWFULPCYLVELU-UHFFFAOYSA-N 338.407 2.565 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCC3CCOCC3)cc2)c(N)n1 426674429 YYFNDPMBKIVBRR-UHFFFAOYSA-N 325.412 2.796 0 50 EFAA CC(C)C[C@@H](CC(=O)O)NC(=O)N1CCC(O)(c2ccccc2)CC1 426700130 ZRQOKKHUAJGMCB-INIZCTEOSA-N 348.443 2.569 0 50 EFAA CC[C@@H](NC(=O)c1cn2cc(Cl)cnc2n1)c1ncccc1C 426487737 YYEBCUDDBYXUHE-GFCCVEGCSA-N 329.791 2.967 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2[nH]cc(C)c(=O)c2C)C[C@H]1C(=O)O 91817859 GXBGYBHPOBVOIT-DLBZAZTESA-N 340.423 2.600 0 50 EFAA Cc1ncc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c(C)n1 180219632 QLSQLHRDMLLSTJ-UHFFFAOYSA-N 340.358 2.860 0 50 EFAA CC(C)c1cc(-c2nc(Cc3cccs3)nn2CC(=O)O)no1 97711806 AMORYBNNJKWDFV-UHFFFAOYSA-N 332.385 2.793 0 50 EFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cnnc3)nc2)C1 91706866 GTUDUAXLDCDESC-HXUWFJFHSA-N 347.422 2.856 0 50 EFAA Cc1cc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)on1 91486889 OSVNAYJQIGYBEA-UHFFFAOYSA-N 333.819 2.523 0 50 EFAA O=C(NC[C@@H]1CNCCOC1)Nc1cccc(-c2ccc(F)cc2)c1 97156065 BESNFFVKMIHKKX-AWEZNQCLSA-N 343.402 2.850 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](CCN(C)C)c2ccccc2)n(C)n1 91390980 DRMXXDAHIVKTCL-INIZCTEOSA-N 328.460 2.966 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccccc1F)N(C)C 95379376 ZABZTBIGZCFUQR-QGZVFWFLSA-N 330.407 2.688 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)Cn1sc2ccccc2c1=O 95517045 PTZQXUGEWSCPOX-SNVBAGLBSA-N 333.438 2.739 0 50 EFAA Cc1cc2cc(C(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)ccc2o1 92064986 HEMVJDQYQRTGRB-UHFFFAOYSA-N 349.390 2.862 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91943932 VWVZAEAWPXUDAO-LJQANCHMSA-N 329.444 2.578 0 50 EFAA COCCN1CC2(CCC1=O)CCN(Cc1cccc(C)c1)CC2 91950640 JZKAWFDSPYOYBZ-UHFFFAOYSA-N 330.472 2.846 0 50 EFAA COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCCC1 247813686 DZXFFSGYXRUIDR-RTBURBONSA-N 330.472 2.926 0 50 EFAA O=C(O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 299749680 LHLTVPVIVFSUFU-GJZGRUSLSA-N 335.425 2.512 0 50 EFAA Cc1cccc2oc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)nc12 534578897 KVCRBZHENDMXJP-LBPRGKRZSA-N 328.368 2.628 0 50 EFAA CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(C(=O)O)cc2)C12CCC2 263372792 YZLYWIUBVFRYLA-HOTGVXAUSA-N 331.412 2.733 0 50 EFAA FC(F)(F)CN1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 613259651 WSEBOTNWOJKFKX-UHFFFAOYSA-N 336.361 2.824 0 50 EFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1cc(C)n(C(F)F)n1 1940194941 DPFWUEFGTDQLQP-UHFFFAOYSA-N 325.319 2.509 0 50 EFAA Cc1cc([C@@H]2CCCCN2C(=O)c2c3c(nn2C)CCCC3)no1 299762862 CKERPEZEABHZGE-INIZCTEOSA-N 328.416 2.963 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)o1 299777248 BSPARFYVCQOVRH-UHFFFAOYSA-N 339.395 2.672 0 50 EFAA O=C(Nc1cccc(SC(F)(F)F)c1)N1CCOC[C@@H]1CO 299766024 ZNNPGHUIAXVSAQ-JTQLQIEISA-N 336.335 2.524 0 50 EFAA O=C(CSc1ccncc1)N1CCC[C@H]1c1nc(C2CC2)no1 299755090 BHMVIZHQPKILRP-ZDUSSCGKSA-N 330.413 2.798 0 50 EFAA O=C(Nc1cccc2c1CCC2)NC1CCN(c2cnccn2)CC1 299796289 OPZCOQXKBIQZME-UHFFFAOYSA-N 337.427 2.756 0 50 EFAA CCc1nnc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)o1 269688322 VTUFGVMNBNVAER-LLVKDONJSA-N 348.834 2.868 0 50 EFAA CC[C@H](O)Cn1nc(C2CC2)nc1CCc1nc2ccccc2[nH]1 670473092 OSFSRZCCZZHBHQ-ZDUSSCGKSA-N 325.416 2.588 0 50 EFAA C[C@H](NC(=O)[C@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1F 1875307168 VSIKDXBHSLNINF-XHDPSFHLSA-N 325.355 2.728 0 50 EFAA C[C@@H](C1CCCCC1)N(C(=O)C[C@H]1C=CS(=O)(=O)C1)C1CC1 1875330083 MAUDBHLBTMGPJH-UONOGXRCSA-N 325.474 2.895 0 50 EFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1CCOC[C@H]1c1cc[nH]n1 1875330111 MODRCSBBOMIBKV-HOTGVXAUSA-N 347.802 2.625 0 50 EFAA CN(Cc1ccsc1Cl)[C@H](Cc1nn[nH]n1)C(F)(F)F 1875330151 QACAPRTTYGEWSM-SSDOTTSWSA-N 325.747 2.520 0 50 EFAA Fc1cnc(N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)cn1 952892701 GMIKPFKGMINUHO-ZDUSSCGKSA-N 343.284 2.587 0 50 EFAA Cc1nn2c(CN[C@H]3CCO[C@@]4(CCSC4)C3)c(C)nc2s1 271243466 VDYPDFLRBYNRHK-WFASDCNBSA-N 338.502 2.552 0 50 EFAA Cc1ccncc1[C@H]1CCN(C(=O)Cc2nn(C)c3ccccc23)C1 885748320 SKOCXYYWBRLJHT-HNNXBMFYSA-N 334.423 2.835 0 50 EFAA CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCCCF 888095680 QEEJTPPLPGRJRA-AWEZNQCLSA-N 341.379 2.731 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2csc3c2CCCC3)C1 1775959316 VIKSCTPPUDOAAI-SMDDNHRTSA-N 347.440 2.921 0 50 EFAA CC(C)[C@H](NC(=O)c1ccns1)c1nc(-c2ccncc2)no1 1336323286 AMDMBVJYWJEBRW-LBPRGKRZSA-N 329.385 2.715 0 50 EFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCO[C@H]2CCCC[C@@H]21 1565511690 MAJJYEJJDLOMQJ-ROUUACIJSA-N 332.444 2.662 0 50 EFAA CNC(=O)C1CN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1 186149694 RVLBNYPQZZHUIL-UHFFFAOYSA-N 344.436 2.550 0 50 EFAA COc1cccc(F)c1NC(=O)N1CCCN(CC(F)(F)F)CC1 186126422 URUVKPOJABZJHG-UHFFFAOYSA-N 349.328 2.936 0 50 EFAA COc1cc(F)c(NC(=O)N(CC2CCC2)[C@H](C)CO)cc1F 170619534 QAHARNDFSBEWHS-SNVBAGLBSA-N 328.359 2.988 0 50 EFAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2[nH]ccc2c1 187531673 RBMXRWHUQMLOES-UHFFFAOYSA-N 338.363 2.904 0 50 EFAA CCOC[C@@H]1CCN(C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)C1 408519533 GUFPGIVIVOOGLC-ZIAGYGMSSA-N 340.464 2.659 0 50 EFAA O=C(c1ccc(=O)[nH]n1)N(Cc1ccccc1F)C1CCCCC1 109278697 HWXVYAJFWQUCQR-UHFFFAOYSA-N 329.375 2.884 0 50 EFAA O=C(c1cnn2c1CCCC2)N1CCO[C@@H](c2ccc(F)cc2F)C1 188408051 BPRNTLAAZOENRV-QGZVFWFLSA-N 347.365 2.711 0 50 EFAA O=C(c1ccnc2ccncc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225489318 SPIUGZIVUCMKLC-KBXCAEBGSA-N 337.354 2.717 0 50 EFAA OC[C@H]1CCCN(c2cc(NCc3ccc4ncccc4c3)ncn2)C1 192998913 OYVQPFKJOKHZKJ-INIZCTEOSA-N 349.438 2.846 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc2nc(C(F)(F)F)oc2c1 648541776 ZCZISHFNRIMQLV-QMMMGPOBSA-N 341.289 2.844 0 50 EFAA CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(C(=O)O)c2)no1 649456271 WSSGKFPHXYOGSW-ZDUSSCGKSA-N 329.356 2.698 0 50 EFAA CS[C@@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 195573647 JRCJPTARKKYVEU-KWQFWETISA-N 344.362 2.781 0 50 EFAA CC(C)(C)n1nnc(CNC(=O)NCc2cccc3ccsc23)n1 654603205 FPSNLTBXUWFUAH-UHFFFAOYSA-N 344.444 2.642 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(-n2cccc2)s1 668265881 SZIGHPMGTBQTFS-AWEZNQCLSA-N 341.440 2.916 0 50 EFAA COc1ccc2nc(N3CCC[C@@H]3[C@@H]3COCC[C@@]3(C)O)ccc2c1 671451294 GBRPLJVSOMUPCE-ILZDJORESA-N 342.439 3.000 0 50 EFAA O=C(CCCc1cccs1)N1CCCN(Cc2ncc[nH]2)CC1 1529099621 CTTJWDLFNVUBQQ-UHFFFAOYSA-N 332.473 2.528 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3cccc(OC(C)C)c3)C[C@H]2O)n[nH]1 1529119191 COHBWHNCXDHSBU-VQIMIIECSA-N 329.444 2.541 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)C[C@@H]3CCC(=O)N(C)C3)c2)n1 1800414638 VNGHSUDZBZYPEM-SFHVURJKSA-N 340.471 2.789 0 50 EFAA Cc1nc(C(=O)N2CCCN(Cc3cc(C4CC4)on3)CC2)cs1 1772819473 UWRFEWZJGCJFJH-UHFFFAOYSA-N 346.456 2.665 0 50 EFAA O=C(NCCc1cccnc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12308550 ISNCCGSVEAJOCP-GOSISDBHSA-N 343.471 2.559 0 50 EFAA COc1cccc(-n2c(C)nc3ccc(OCC(C)=O)cc3c2=O)c1 12296757 ATXVAXQVWLEICB-UHFFFAOYSA-N 338.363 2.671 0 50 EFAA biogenic CCn1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1 12453575 BQWAQPKHIOAEIW-AWEZNQCLSA-N 332.473 2.607 0 50 EFAA O=S(=O)(Cc1c(F)cccc1Cl)NCCCN1CCCCC1 13613367 DAMBNCMCAITLMU-UHFFFAOYSA-N 348.871 2.775 0 50 EFAA COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cn1 169755485 MIVICFXXGKHOEG-UHFFFAOYSA-N 349.394 2.937 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1nc(-c3ccc(F)cc3)cs1)C2 1857669364 YQAXZYDBVQNVEX-KBXCAEBGSA-N 348.443 2.780 0 50 EFAA O=C(c1cccc2cccnc12)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875240824 GUBNHVHQCCEWDG-ICSRJNTNSA-N 348.402 2.809 0 50 EFAA CCOc1ccccc1OCCN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643858359 ZXBPHWGSGCOVDA-CABCVRRESA-N 331.416 2.649 0 50 EFAA Cc1c(C(=O)N(C)C2CCNCC2)cnn1-c1ccccc1Cl 237116177 KOOHNBHGCLNMIC-UHFFFAOYSA-N 332.835 2.658 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)c2cnn3ccccc23)c(Cl)c1 346785698 AZRKVJXRCAWUPD-UHFFFAOYSA-N 342.786 2.665 0 50 EFAA O=C(O)c1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)cc1 263421126 OWXJRQMADFUAEN-AWEZNQCLSA-N 331.803 2.802 0 50 EFAA CCCn1ccc2ccc(NC(=O)CN3CCC[C@@H](C(=O)O)C3)cc21 911416244 YMMGHTXWQYFWCN-OAHLLOKOSA-N 343.427 2.786 0 50 EFAA CCn1nc(C)c(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)n1 816149984 RIBZQVQZQRASRV-UHFFFAOYSA-N 348.397 2.980 0 50 EFAA Cn1ncc(NC(=O)[C@@H]2Cc3ccccc3CO2)c1C(F)(F)F 857609110 UYIAKTQWMLVDKY-LBPRGKRZSA-N 325.290 2.519 0 50 EFAA Cc1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)n(C)n1 36354192 VSVIERVCHKLXHM-UHFFFAOYSA-N 332.339 2.840 0 50 EFAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1c[nH]nc1-c1ccnn1C 2325777548 KEJHSQXJLHJXLX-SJKOYZFVSA-N 343.406 2.551 0 50 EFAA CCc1cn2c(n1)C[C@H](C(=O)N(C)[C@@H]1CCCc3cccnc31)CC2 2325779984 WWCYDPWANVGUJT-NVXWUHKLSA-N 338.455 2.939 0 50 EFAA Cc1nc(=N)n(C2CCN(Cc3ccc(-c4ccncc4)cc3)CC2)[nH]1 2325784203 HTJZCNCBWZJYQP-UHFFFAOYSA-N 348.454 2.898 0 50 EFAA CCc1sccc1C(=O)N=S1(=O)CCC2(CCNC2)CC1 2325792192 KFOQKFUGORWBBH-UHFFFAOYSA-N 326.487 2.692 0 50 EFAA O=C(COc1ccccc1)NC(=S)N1CCCc2ccccc21 48466 VTTOAQKDDDIERV-UHFFFAOYSA-N 326.421 2.919 0 50 EFAA COC(=O)[C@@H](C)n1cnc2scc(-c3ccc(OC)cc3)c2c1=O 98534 NKZAAJUFQVGOFW-SNVBAGLBSA-N 344.392 2.868 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(NC(C)=O)cc2)NC(=O)N1 1126758 IAPHDQTXTXQIRH-MRXNPFEDSA-N 345.399 2.616 0 50 EFAA O=C(O)c1c(NCC(=O)N2CCCC2)noc1-c1ccc(Cl)cc1 2356146994 CWQHTXRDSOXFDQ-UHFFFAOYSA-N 349.774 2.728 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)CCc2ccc(F)cc2F)C1=O 2356153597 NMTNVVCVIUHQLP-GOSISDBHSA-N 336.382 2.511 0 50 EFAA CCCNC[C@@H](O)COc1ccc(C(=O)CC)cc1COCCC 4566623 TTZIGRYGGNHIGS-QGZVFWFLSA-N 337.460 2.945 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 54991691 ROTAWGONYQHKIO-QGZVFWFLSA-N 334.485 2.658 0 50 EFAA Cc1ccccc1[C@H](NC(=O)N1CCOC[C@H]1C[C@@H](C)O)C(C)C 135184606 KKXMMWJRWHBMRF-JFIYKMOQSA-N 334.460 2.873 0 50 EFAA Cc1cc2ccccc2n1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1 346757602 ANHKHNCQPKBXPU-HXUWFJFHSA-N 347.418 2.649 0 50 EFAA Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1Cl 10682625 PKIMPABWNUGZLW-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)c1nc(CCN)nc2ccccc12 65505244 ROTQTYYTANVZQV-OAHLLOKOSA-N 334.423 2.571 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(Cc3ncccc3C(=O)O)C2)c1 65455378 CLWYVCALDQQQNB-ZDUSSCGKSA-N 342.395 2.787 0 50 EFAA CC(C)Oc1cccc(CN(C)c2ccnc(N3CCOCC3)n2)c1 353273629 DOOQCAXSCHKFOS-UHFFFAOYSA-N 342.443 2.737 0 50 EFAA O=C(Nc1cnn(CC(F)F)c1)Nc1c[nH]nc1-c1ccccn1 151249949 PUPVAPPLPRNQRM-UHFFFAOYSA-N 333.302 2.577 0 50 EFAA COc1ccccc1N1CCC[C@H](NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)C1 252491981 MAQOZUXXWPCDQV-JBZZYGANSA-N 344.455 2.738 0 50 EFAA Cc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 120564256 BSMGHKZNLYWFAR-UHFFFAOYSA-N 330.837 2.689 0 50 EFAA CC(C)Cc1noc([C@@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1 65502759 UUFOCGFQPZQFGE-CYBMUJFWSA-N 344.415 2.741 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccc2nonc2c1 1506402146 MOHLJZDUHGDICK-ZDUSSCGKSA-N 336.395 2.632 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCc2cccc(Br)c2C1 172449980 AMSTWIAZOVECJY-UHFFFAOYSA-N 348.244 2.916 0 50 EFAA Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)nc3)C2)cn1 67771168 RYUKSSBFSCPVNQ-HNNXBMFYSA-N 344.846 2.690 0 50 EFAA C[C@@H]1CN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)CCN1C 12439709 RJSOULYMZJIAEW-OAHLLOKOSA-N 349.438 2.863 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3cc(CC(C)C)[nH]n3)C2)C1 12446581 UWFRRLUUFNHIRH-LJQANCHMSA-N 334.508 2.543 0 50 EFAA Cc1ccc(-c2cnnc(NCCSc3nnc(C)s3)n2)o1 11998465 DRJWJOLGGPTQIM-UHFFFAOYSA-N 334.430 2.804 0 50 EFAA CCO[P@](=O)(NC(C)C)Oc1ccc(S(C)(=O)=O)c(C)c1 2010744 LVNYJXIBJFXIRZ-HXUWFJFHSA-N 335.362 2.920 0 50 EFAA biogenic,in-vitro O=C(CCc1nc2ccccc2s1)N1CCCn2cncc2C1 72129740 WFQDJQFAKWVBJY-UHFFFAOYSA-N 326.425 2.858 0 50 EFAA C[C@H]1CCOCCN1C(=O)c1ccccc1COC1CCOCC1 367724550 PGYITJZEMHQRQO-HNNXBMFYSA-N 333.428 2.633 0 50 EFAA CCc1[nH]c2c(CNC(=O)N[C@@H](C)C(=O)OC)cc(C)cc2c1C 71479374 KCDHNXUMDXIRFO-LBPRGKRZSA-N 331.416 2.708 0 50 EFAA Cc1nccc(C2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)n1 219097631 UOEYMNJYGUIXGB-LJQANCHMSA-N 337.423 2.885 0 50 EFAA CN(CCN1CCCCC1=O)Cc1ccc(CCC(C)(C)O)cc1 72419177 ITGLSRWHOMHFKH-UHFFFAOYSA-N 332.488 2.834 0 50 EFAA COc1nn(C)cc1NC1CCN([C@@H](C)Cc2ccccc2)CC1 449277204 FHLPAMVEPYJFKQ-HNNXBMFYSA-N 328.460 2.936 0 50 EFAA Cc1ccccc1-c1noc(-c2cccnc2N2CCN(C)CC2)n1 33317760 IAHNMQOZKFMUPI-UHFFFAOYSA-N 335.411 2.859 0 50 EFAA CC1(C)C[C@@H](NCCn2ccnc2)CCN(C(=O)OC(C)(C)C)C1 863983160 DCEYVNMAYDGQHO-HNNXBMFYSA-N 336.480 2.898 0 50 EFAA Cc1nc(CCCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cs1 262759305 KHGAPNZKLKAUKF-QGZVFWFLSA-N 344.436 2.985 0 50 EFAA CC(C)Cn1ccnc1CNC(=O)c1ccc(Br)o1 131078044 USBYPAXKUVTAIH-UHFFFAOYSA-N 326.194 2.825 0 50 EFAA Cc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)n1 239882241 DARQVZZYJMDELT-SFHVURJKSA-N 325.412 2.679 0 50 EFAA O=C(CSC[C@@H]1CCCCO1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 246405685 HXMWRXCEQOOAKF-ABFRBSLYSA-N 339.501 2.753 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2nc3ccc(C)c(C)c3[nH]2)C[C@H]1C(C)C 77503493 UFAABRHZHPXNEF-DOTOQJQBSA-N 328.460 2.772 0 50 EFAA C[C@H](Oc1ccc(CN2CCC(Cn3ccnc3)CC2)cc1)C(=O)O 216434022 YYJOCGSLVWIGCB-HNNXBMFYSA-N 343.427 2.647 0 50 EFAA CC(C)NC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72148586 OWGVTBCMNCMCBL-ZTFGCOKTSA-N 349.425 2.945 0 50 EFAA CC(C)n1nccc1NC(=O)NCCNC(=O)c1ccccc1Cl 43451751 SATJCVCTNPFPCT-UHFFFAOYSA-N 349.822 2.669 0 50 EFAA CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 175571941 WDUCPFSFVUZMCT-UHFFFAOYSA-N 337.383 2.620 0 50 EFAA Cc1noc([C@@H]2CCCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 223863668 HGOOUBUMJBXLQD-HNNXBMFYSA-N 339.399 2.941 0 50 EFAA COc1ccccc1-c1ncc(CNC(=O)Cc2cc(C)no2)s1 223430277 BZQUHSHCJBUHEF-UHFFFAOYSA-N 343.408 2.974 0 50 EFAA COC(=O)c1csc(NC(=O)N2CCC[C@@H](c3cn[nH]c3)C2)c1 160806932 BUTDLFNICLGMHS-SNVBAGLBSA-N 334.401 2.669 0 50 EFAA CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 19537104 ZWDNCNOFXFLTOX-UHFFFAOYSA-N 331.243 2.926 0 50 EFAA Cc1cccc(CN2CCN(C(=O)NCCC3CCCC3)CC2=O)c1 426563135 CSVIXYVWRQDPEN-UHFFFAOYSA-N 343.471 2.929 0 50 EFAA NC[C@H]1CCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 178573833 VWUZXPHQYGTHDS-CSPWOOARSA-N 341.386 2.833 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)nn2C)c1 292549736 SMZYNHKOEKXIQI-UHFFFAOYSA-N 344.234 2.600 0 50 EFAA CC(C)c1nccc(CN2CCN(C(=O)c3cccs3)CC2)n1 223855458 QKBJKIKSPPMKHN-UHFFFAOYSA-N 330.457 2.620 0 50 EFAA O=C(NCCCOc1cccnc1)c1ccc(N2CCCC2)cc1 426506577 HVWAVHHPKNTIDB-UHFFFAOYSA-N 325.412 2.881 0 50 EFAA C[C@@H](NCc1noc(C(C)(C)C)n1)c1ccc2c(c1)NC(=O)CO2 179861232 GNNFWKTXUQNNFT-SNVBAGLBSA-N 330.388 2.549 0 50 EFAA Cc1cccc(OCCCN(C)C(=O)NC[C@@H]2CCCCN2C)c1 426420757 PITLIZPXMDDGTA-KRWDZBQOSA-N 333.476 2.890 0 50 EFAA CCOC(=O)c1cnn(C2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)c1 295732158 UWWAEVIZSBMSAO-ZDUSSCGKSA-N 335.448 2.906 0 50 EFAA O=C1NCCC[C@@]12CCN(Cc1cc(F)cc(C(F)(F)F)c1)C2 91625795 SCSKOIHJECNVIT-HNNXBMFYSA-N 330.325 2.947 0 50 EFAA CCCN1CCC[C@]2(CCN(C(=O)c3cc(C)n(CC)c3C)C2)C1=O 91427175 HSBOBBQVWZWTBZ-HXUWFJFHSA-N 345.487 2.990 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cncnc2C)C1 95363848 LPVWXBITXGGZRN-OAHLLOKOSA-N 327.432 2.801 0 50 EFAA c1ccc(-c2noc(CCNc3nccc(-c4ccncc4)n3)n2)nc1 96166775 QPXFOLPVVLVEMO-UHFFFAOYSA-N 345.366 2.638 0 50 EFAA Nc1c(Br)cc(Br)nc1Br 98213661 LUNVYJQHKVGADE-UHFFFAOYSA-N 330.805 2.951 0 50 EFAA CN(C)[C@H](C(=O)NCCc1ccc2c(c1)OCO2)c1ccc(F)cc1 91551299 CXDAIMADZZAWSF-SFHVURJKSA-N 344.386 2.516 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCO[C@H](Cc2ccccc2)C1 181415557 ZVIKNCPNYPQNJZ-MRXNPFEDSA-N 336.391 2.840 0 50 EFAA Cn1cnc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 184014215 MXHZTRBFJHHFSN-CQSZACIVSA-N 339.317 2.653 0 50 EFAA C[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)c1nccs1 184279742 MAVICGXXBRJCDB-CQSZACIVSA-N 330.457 2.778 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cccc(OCc3cscn3)c2)C1 299742932 JNWCUKGFECSGPC-KRWDZBQOSA-N 346.408 2.659 0 50 EFAA COCCOCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 299762043 VAFVRKZUNYGOGI-MRXNPFEDSA-N 333.428 2.992 0 50 EFAA Nc1cc(Cl)ccc1C(=O)N1CCC(c2nncn2C2CC2)CC1 1292948266 JWSHZOQYAONRSQ-UHFFFAOYSA-N 345.834 2.868 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(n2cccc2)CC1 1875314535 DASCHZTWAQQVFG-KGLIPLIRSA-N 342.443 2.721 0 50 EFAA C[C@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875253960 ASTFQXMBRKESFH-XJKSGUPXSA-N 348.406 2.736 0 50 EFAA CNC(=O)C1CCC(NC(=O)NCc2cccc(Cl)c2C)CC1 1875288938 MAJCSQROOKTNLB-UHFFFAOYSA-N 337.851 2.752 0 50 EFAA Cc1c(C(=O)N2CCC(=O)C3(CCOCC3)C2)cnc2ccccc12 1875297600 XUIXUZLXIVMJKE-UHFFFAOYSA-N 338.407 2.755 0 50 EFAA CC(C)C(=O)N1CCC[C@@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 952974325 WKBJMCTZLVZNDG-CYBMUJFWSA-N 340.370 2.745 0 50 EFAA CC(C)Cc1cc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)nc(N)n1 952869640 XFZSWDPVKUMVFP-MRXNPFEDSA-N 328.391 2.984 0 50 EFAA C[C@@H](CC(N)=O)N(C)C(=O)Cc1ccccc1OCc1ccccc1 952974415 DAGRFPQQVDVJOS-HNNXBMFYSA-N 340.423 2.530 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)Cc2ccc(C)cc2)C1 886048162 DETSFVVEKRBKDO-PKOBYXMFSA-N 340.423 2.627 0 50 EFAA COc1ccc(CNC(=O)NC2CC3(COC(C)(C)C3)C2)cc1O 892073812 VZJNALVYZKPPDK-UHFFFAOYSA-N 334.416 2.548 0 50 EFAA O=C(NCC1(c2ccccn2)CC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1775988391 PHXDTVRXDJUCJZ-SNEKZUEESA-N 326.440 2.561 0 50 EFAA C=CC(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 1335299827 KQXGIUCTJFPJPP-UHFFFAOYSA-N 336.391 2.952 0 50 EFAA O=C(COC1CCCCC1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186594726 SSRLVBCCIQLVSE-GOSISDBHSA-N 345.487 2.902 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 279598544 BBDHUXXRMHOBCS-DOMZBBRYSA-N 344.377 2.680 0 50 EFAA COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@](C)(OC)CC1)C2 279853910 IJOXSYICTNWTHN-BEFAXECRSA-N 348.443 2.599 0 50 EFAA O=C(CC1CCOCC1)NC1CCN(CCc2ccccc2)CC1 172168347 ROCUOLCHCWPWPR-UHFFFAOYSA-N 330.472 2.626 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N(Cc1cccnc1)C1CC1 187485760 DHNBVNIEEVDJIW-ZDUSSCGKSA-N 326.400 2.920 0 50 EFAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 110724681 GWZLXMMBLJBKHJ-HNNXBMFYSA-N 342.468 2.612 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)c2c[nH]c(=O)c3ccccc23)o1 191686229 MXZXZBNTIUWFAQ-MRXNPFEDSA-N 338.363 2.643 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-n4ccnc4)cc3C)[C@H]2C1 192130198 AHJNUOJXALZZPR-AABGKKOBSA-N 341.455 2.949 0 50 EFAA CC(=O)N[C@@H]1CCCN(C2CCN(c3ccc(F)c(F)c3)CC2)C1 1506414129 WATJVHJSORNBEP-CQSZACIVSA-N 337.414 2.534 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc2cccc(Cl)c2n1C 216340800 SHZYXBZTTIATPV-OCCSQVGLSA-N 331.847 2.998 0 50 EFAA O=S(=O)(NCc1ccccc1)c1cccc(Br)c1 4369234 HTAWYJSLZQALKS-UHFFFAOYSA-N 326.215 2.928 0 50 EFAA in-vitro Cc1nc[nH]c1CN(CCN(C)C)Cc1ccccc1OC(F)F 1704307335 WSTZCTHOURYKNR-UHFFFAOYSA-N 338.402 2.883 0 50 EFAA Cc1ccccc1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 14562327 PKNRXUKNPGEOJX-UHFFFAOYSA-N 338.407 2.649 0 50 EFAA O=C(CSc1nc(O)c2ccccc2n1)NCc1ccccc1 18219331 CHMIQKBMAHSAPY-UHFFFAOYSA-N 325.393 2.744 0 50 EFAA biogenic,in-vitro Cc1nnc([C@@]23CCC[C@H]2CN(C(=O)c2oc(C4CC4)nc2C)C3)o1 1857533070 RMHCLEQBWIHZNV-SCLBCKFNSA-N 342.399 2.746 0 50 EFAA c1ccc(-c2nc(CN3CCc4[nH]nc(C5CC5)c4CC3)no2)cc1 1857671140 PKUVHDLKHOUFFG-UHFFFAOYSA-N 335.411 2.938 0 50 EFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2csc(CCC)n2)C[C@H]1N 1857727097 KPJAMMDYFIXTHD-NWANDNLSSA-N 339.505 2.634 0 50 EFAA O=C(CCC(F)(F)F)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 119136359 BTALRVSJXUVPMH-GFCCVEGCSA-N 341.395 2.677 0 50 EFAA O=C(O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 237971204 NTMPCSLYJXEFKZ-GHMZBOCLSA-N 331.290 2.670 0 50 EFAA C[C@H]1CN(C(=O)c2ccnn2CC(F)F)[C@@H](c2ccccc2)CO1 241213349 KOGFOXSCQJLFBN-SWLSCSKDSA-N 335.354 2.750 0 50 EFAA COc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C(=O)O)cc1 262253792 ZSGQBLFARRKRQA-LJQANCHMSA-N 339.391 2.669 0 50 EFAA C[C@@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)C[C@H](c2ccccc2)O1 263348586 OTFUYYOFZRPQAV-RDTXWAMCSA-N 339.391 2.916 0 50 EFAA NC(=O)c1cccc(CN2CCC[C@H](CN3CCCCCC3)C2)c1 264061540 WGVFAJSGIHDNMB-GOSISDBHSA-N 329.488 2.874 0 50 EFAA CC(C)Cc1nc(C(=O)NCc2cccc(-n3cncn3)c2)cs1 265620285 ZSIGWRTVMSNQRA-UHFFFAOYSA-N 341.440 2.852 0 50 EFAA Cc1c(NC(=O)CCc2c(N)cnn2C)cccc1C(F)(F)F 912280898 OQKYDQUQVSQGHB-UHFFFAOYSA-N 326.322 2.901 0 50 EFAA COc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)O)s1 817868362 VFRKHOXXFRCDSX-CHWSQXEVSA-N 331.393 2.875 0 50 EFAA Cc1ccc(NC(=O)C2CCN([C@@H](C)c3ncccn3)CC2)nc1 929889270 ADCWSFQTBYYJAO-AWEZNQCLSA-N 325.416 2.592 0 50 EFAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ncc(C(F)(F)F)cc1Cl 934618476 PIZAIOONWYGGCQ-SECBINFHSA-N 344.724 2.764 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)c2cccc3nc(C(F)F)[nH]c23)C1 935089597 KWDWICMOVQTZOS-JTQLQIEISA-N 345.353 2.864 0 50 EFAA NC(=O)c1coc(CNC(=O)c2ccc(N3CCCCCC3)cc2)c1 935490307 FGJGWIRSDFSPDK-UHFFFAOYSA-N 341.411 2.689 0 50 EFAA Cn1ncc(NC(=O)[C@H]2Cc3ccccc3CO2)c1C(F)(F)F 857609109 UYIAKTQWMLVDKY-GFCCVEGCSA-N 325.290 2.519 0 50 EFAA FC(F)c1nnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)o1 293070413 NLMBWHWAAIYPQT-CYBMUJFWSA-N 338.358 2.710 0 50 EFAA N=C(O)[C@]1(O)CCCN(Cc2ccc(Cl)cc2Br)C1 330541032 MSBKMRZXCSBLKR-ZDUSSCGKSA-N 347.640 2.965 0 50 EFAA O=C(NCc1ccco1)C1CCN(c2cnc3ccccc3n2)CC1 2325728904 FLYPSXZYLJVEOA-UHFFFAOYSA-N 336.395 2.756 0 50 EFAA O=S(=O)(NC[C@H]1OCc2ccccc21)c1cc(C(F)F)ccn1 2325782535 FWLJEQLVLLWKDM-CYBMUJFWSA-N 340.351 2.569 0 50 EFAA C[C@H]1CCCc2c(-c3nc(CCCO)nn3[C@H]3CCSC3)cnn21 2325848257 CJHPOQOBDNSVKC-STQMWFEESA-N 347.488 2.642 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 191061 UZJDFQZICYJVPS-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(Cc3ccc(O)cc3)n21 2356158783 ZHIMJXPMAUCZNU-AWEZNQCLSA-N 348.406 2.678 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc3cc(O)ccc3c2)CC[C@@H]1O 2356159471 CGMXYMPWDZTGNY-AZUAARDMSA-N 343.423 2.983 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2Cl)CC[C@H]1O 2356162077 WOCCCVXSPFAXGU-GDBMZVCRSA-N 329.799 2.917 0 50 EFAA Cn1c(=O)n(C)c2cc(NC(=O)CSc3ccccc3)ccc21 6704291 WUQYMVYOZCIDHV-UHFFFAOYSA-N 327.409 2.608 0 50 EFAA CC(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1nncs1 6704388 OAUDMJZJNKVMPG-UHFFFAOYSA-N 339.442 2.610 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 7871980 PFUBAPFGSWTTAR-UHFFFAOYSA-N 346.452 2.745 0 50 EFAA O=C(CCNC(=O)Cc1ccccc1)NC[C@@H]1CCCC(F)(F)C1 225707211 GVFSQCMRFWJPSD-OAHLLOKOSA-N 338.398 2.677 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Br)C1 134121540 CSKOBLMOBLHOSL-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1ccccc1 10314843 IEGWIAUZQDYSLA-UHFFFAOYSA-N 332.425 2.639 0 50 EFAA COc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 8247148 YNDPYUUQGVQSAT-LLVKDONJSA-N 345.786 2.735 0 50 EFAA Cc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)nc1O 8753734 WRFZJVDMSKNDAC-CYZMBNFOSA-N 339.461 2.982 0 50 EFAA CCCC1(c2noc(COc3ccc(CC(N)=O)cc3)n2)CCC1 351418952 ZRPXNJKDHPSIOV-UHFFFAOYSA-N 329.400 2.898 0 50 EFAA c1cncc(CN2CN(C[C@@H]3CCCO3)c3nc4ccccc4n3C2)c1 9262119 RLJAUVFULRGUHM-KRWDZBQOSA-N 349.438 2.848 0 50 EFAA CCOC(=O)c1n[nH]cc1CN(Cc1ccsc1)C[C@@H]1CCCO1 55308161 JRUXMIKYNRNOJC-HNNXBMFYSA-N 349.456 2.829 0 50 EFAA Cc1cccc(O[C@@H](C)CNC(=O)c2cnn(-c3cccnc3)c2)c1 346048570 ARLVFWJSAPGLES-HNNXBMFYSA-N 336.395 2.773 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1nc(CC2CC2)no1 23338941 NEIORLURQNWIDS-UHFFFAOYSA-N 341.390 2.979 0 50 EFAA Cc1cccc([C@H](c2nc(CC3CCN(C)CC3)no2)N(C)C)c1 67489730 CYHBIJYJPRDCGN-GOSISDBHSA-N 328.460 2.913 0 50 EFAA COc1ccc2nc(CN3CC[C@@H](N4CCOCC4)[C@H]3C)sc2c1 352017570 IAJAVYVKZIKVRC-CZUORRHYSA-N 347.484 2.600 0 50 EFAA CCCc1occc1C(=O)N1C[C@H](NC(C)=O)CC[C@H]1C(F)(F)F 347937484 AJQOCXDJWVVJES-RISCZKNCSA-N 346.349 2.904 0 50 EFAA CCCc1cc(CN(C)Cc2nc(Cc3ccccc3)no2)n[nH]1 20858530 KGHINSLGOSCLOA-UHFFFAOYSA-N 325.416 2.968 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CCCN(CCc3c(C)noc3C)C2)nc1 119458931 OITMPYYOYOBHTA-INIZCTEOSA-N 342.443 2.888 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1C 119538029 MLKMTLFILVSNBC-AWEZNQCLSA-N 326.400 2.953 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)C2)n1 332177014 MSDPQEALUWVMOI-JTQLQIEISA-N 340.305 2.730 0 50 EFAA Cc1cccc(CCNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n1 252507578 WOUJGDBRNWVTTA-ZWQIFLOQSA-N 345.487 2.904 0 50 EFAA CN1CCC[C@@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1 252517459 JAJIAHNEPVMTFA-ZBFHGGJFSA-N 329.444 2.826 0 50 EFAA CCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCCC3)ccn1)C2 67966371 GZVAWEUGAOSSKO-UHFFFAOYSA-N 337.427 2.580 0 50 EFAA CCn1cc(NC(=O)C2CCN(C(=O)c3cc(C)oc3C)CC2)cn1 129082730 IMOAZSQMMAWLMF-UHFFFAOYSA-N 344.415 2.604 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(Cc1ncc(C4CC4)o1)[C@@H]3C2 427732107 XMSLLBATYINRBX-SUYBPPKGSA-N 336.457 2.892 0 50 EFAA O=C(c1ncccc1O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65492269 LRZYPOKLUSPZRC-PKOBYXMFSA-N 348.402 2.931 0 50 EFAA CSc1nc(-c2ccccc2)nc(N2CCOCC2)c1C(C)=O 273230 MQSRVOBGPGKVPS-UHFFFAOYSA-N 329.425 2.905 0 50 EFAA Cc1cc([C@@](C)(O)CNC2CCN(C(=O)c3ccoc3)CC2)c(C)o1 253416933 RWJKJLRSKKUQKI-IBGZPJMESA-N 346.427 2.591 0 50 EFAA C[C@@H]1CCN2C(=O)N(c3nc(-c4ccccc4)ns3)C(=O)[C@@H]2C1 328595549 XYDLSLOFFZMHCI-PWSUYJOCSA-N 328.397 2.772 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)CCCc2ccc(C)s2)o1 328615217 YBZHVAMIJSJVRF-AWEZNQCLSA-N 335.429 2.671 0 50 EFAA N[C@@H]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCCO3)C2CCCC2)C1 155677973 CIRUEYLAQKZMKT-HZPDHXFCSA-N 344.455 2.856 0 50 EFAA CN(Cc1cc(Cl)cn1C)C(=O)[C@]1(O)CCc2ccccc2C1 366948790 ZDPJAYNNEUPUIB-SFHVURJKSA-N 332.831 2.557 0 50 EFAA O=C(O)C[C@@H](C[P@@]1(=O)Oc2ccccc2-c2ccccc21)C(=O)O 34064808 XZAXQWXHBDKYJI-APXPCNQMSA-N 346.275 2.825 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@H](CO)Cc1ccccc1 156824912 UWCFXFJHTXHDPQ-ZDUSSCGKSA-N 339.317 2.826 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 284738342 ULZWMJMMSLMMMU-UFYCRDLUSA-N 341.455 2.624 0 50 EFAA CCn1nc(C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cc1C 72474578 KIYMTEWHMPOVQY-UHFFFAOYSA-N 339.439 2.974 0 50 EFAA CC(C)(C)CN1CCC[C@@]2(CCN(Cc3ccc(CO)o3)C2)C1=O 12713524 SKSSHWUFGXWLPY-IBGZPJMESA-N 334.460 2.633 0 50 EFAA Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1F 157739704 GSUOREPXXCSGPL-UHFFFAOYSA-N 326.371 2.732 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 238146118 UVMSZXKFXDACSJ-SJLPKXTDSA-N 343.354 2.772 0 50 EFAA Cc1ncsc1CCCn1cnc2sc3c(c2c1=O)CCNC3 77386768 NZIJSYIOZIBIRM-UHFFFAOYSA-N 346.481 2.501 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)n[nH]2)o1 77521513 LRSAOSZNNASHSM-GFCCVEGCSA-N 325.372 2.721 0 50 EFAA Fc1cccc([C@H]2CN(Cc3cnc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 71755424 DYVKAAHNBLSFCC-ATZDWAIDSA-N 344.409 2.750 0 50 EFAA COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCC=C(F)C2)c1 241588367 PCLOFFZIKFQIDV-QGZVFWFLSA-N 348.418 2.926 0 50 EFAA CCc1cnc(C)nc1N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77420278 GRFVRVRXAINTQB-FQEVSTJZSA-N 342.487 2.966 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 139186978 MPQVURSVIBGLFV-FSZOTQKASA-N 337.397 2.529 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccccc3N(C)C)CC2=O)cc1 82146946 GFUOSOOKFSSUBV-UHFFFAOYSA-N 337.423 2.550 0 50 EFAA COc1cccc(N2CCN(C(=O)c3cc(C)ccc3C)CC2=O)c1 82120792 YUULIZUTAWZNQT-UHFFFAOYSA-N 338.407 2.801 0 50 EFAA CC[C@]1(C)CN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)CCO1 290895951 GQPVELIHCGDFCR-LJQANCHMSA-N 346.475 2.701 0 50 EFAA NC(=O)c1sccc1-c1cccc(C(=O)NC[C@@H]2CCCCO2)c1 426737350 GRJABNPOJNWJKO-AWEZNQCLSA-N 344.436 2.813 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCC[C@@H]1CCCCO1 426491578 SZEITULDDMODQL-AWEZNQCLSA-N 334.464 2.779 0 50 EFAA CCNc1nc(C)c(C(=O)NCCc2nc3ccccc3o2)s1 221155415 BLNXCEINTYLMME-UHFFFAOYSA-N 330.413 2.997 0 50 EFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 142697599 IXZYPWSSMCPTGE-VIFPVBQESA-N 336.351 2.807 0 50 EFAA CCCCS(=O)(=O)N1CCC(c2nccn2CC2CC2)CC1 91951434 OVCUGMCXHJDRMY-UHFFFAOYSA-N 325.478 2.602 0 50 EFAA O=C([C@@H]1CCCCn2nnnc21)N1CCC2(C=Cc3ccccc32)CC1 97732915 CAFCGOBDWRVEOH-MRXNPFEDSA-N 349.438 2.528 0 50 EFAA CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)cc1OCC 91416952 AAUVEYYNIQXKLY-GOEBONIOSA-N 332.444 2.650 0 50 EFAA Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nn1 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0 50 EFAA CC(C)(C[C@@H]1CCCN(C(=O)/C=C/c2ccnc(Cl)c2)C1)C(N)=O 295795493 DSLRLLHHQXIGLV-GJBLVYBDSA-N 349.862 2.888 0 50 EFAA CC(C)n1cc(-c2cn(CCC(=O)NC3CCCCC3)nn2)cn1 91808811 VEIHWWJVLBBLRV-UHFFFAOYSA-N 330.436 2.562 0 50 EFAA O=C(NCC[C@@H]1CCCCO1)c1cccc(Oc2cnccn2)c1 181637354 KFFYNGBRNLKJFG-HNNXBMFYSA-N 327.384 2.958 0 50 EFAA CCCCNC(=O)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263619118 WZEKUSMLEPFRJP-CQSZACIVSA-N 334.807 2.733 0 50 EFAA Cc1ccc(-c2cc3n(n2)[C@H](NCCc2ccccc2)CNC3=O)cc1 263616857 KXINLZZVHQPYTD-FQEVSTJZSA-N 346.434 2.933 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)NCc2noc(-c3ccco3)n2)on1 534583477 DNCYGDDQDVWEBO-LLVKDONJSA-N 343.343 2.673 0 50 EFAA CCn1cc(CNC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c(C)n1 534641487 BSLCMCBSYMDMDQ-CQSZACIVSA-N 329.448 2.687 0 50 EFAA Cc1c(NC[C@@H]2CCCCO2)nn2c(C(F)(F)F)nnc2c1C 269381723 PKBGLAHQRSHYTR-JTQLQIEISA-N 329.326 2.741 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1nn(C)c3cccc(Cl)c13)CC2 299789937 AJNKYVXEGYWHBN-PZPSRYQVSA-N 349.862 2.731 0 50 EFAA Cc1ccc2[nH]nc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)c2c1 299801896 YYRJTJOQJZUSDU-AWEZNQCLSA-N 341.411 2.754 0 50 EFAA CCCOc1ccc(NC(=O)CN2CCCN(C)CC2)cc1Cl 822983438 PUCQFGCFHOWRTL-UHFFFAOYSA-N 339.867 2.705 0 50 EFAA Cc1cc(C)n2ncc(-c3noc([C@@H]4CCN4C(C)(C)C)n3)c2n1 952883059 PVZQTCBZOQEBAN-ZDUSSCGKSA-N 326.404 2.941 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CCCN(C(C)C)C2)[nH]1 1875255375 ODXYFYVKUVGZOR-MRXNPFEDSA-N 325.460 2.801 0 50 EFAA COc1cccc2[nH]cc(S(=O)(=O)N[C@H](C)CCSC)c12 1875272817 JXQFPUAYEUXEAB-SNVBAGLBSA-N 328.459 2.596 0 50 EFAA CC(C)N(C)C(=O)[C@H]1CCCN(c2nc3c(F)cccc3n2C)C1 1875257887 TWCOKVDBTAKBLE-ZDUSSCGKSA-N 332.423 2.796 0 50 EFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc2c1COC2 1875293140 DMPLYHDRMOCRME-HNNXBMFYSA-N 336.391 2.532 0 50 EFAA C[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875253959 ASTFQXMBRKESFH-CZUORRHYSA-N 348.406 2.736 0 50 EFAA Cc1cccc2nc([C@@H]3CN(c4nc5cnccc5n4C)CCO3)cn12 1875273651 XRIXKJYSTQIPLC-KRWDZBQOSA-N 348.410 2.502 0 50 EFAA Cc1c(C(=O)NC[C@@H]2C[C@H](N)[C@@H](O)C2)oc2c1ccc1ccccc12 1875304960 AMHFJWHDHHXGJS-DQYPLSBCSA-N 338.407 2.722 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1cccnc1C(F)(F)F 1875398283 KCXLJYSLOJGUKH-CYZMBNFOSA-N 326.322 2.549 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@H]3C[N@@]3CC3CC3)cc2)CC1 1875385235 PAOLCBGSVMVLDL-DENIHFKCSA-N 326.440 2.795 0 50 EFAA CCn1nc2c(c1C(=O)NCc1nccc(C)c1F)C[C@H](C)O[C@@H]2C 1875314383 VNRHDIZCNIPPDS-NWDGAFQWSA-N 346.406 2.698 0 50 EFAA Cc1c(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cnn1CC(C)C 1875396893 WNMCTMDKJRPECZ-WCQYABFASA-N 345.447 2.523 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)CCOc2ccc(C)cc2)C1 952989223 CHXIBXVNGIJGNV-KRWDZBQOSA-N 341.473 2.595 0 50 EFAA c1cc2c(N[C@H]3CCCN4CCSC[C@@H]34)nc(C3CC3)nc2[nH]1 1772525584 WPLJQNBODCULQW-KBPBESRZSA-N 329.473 2.827 0 50 EFAA Fc1ccc(Br)cc1Cn1nnc(C2CCOCC2)n1 888096515 ZIGYXDDCDWRYTK-UHFFFAOYSA-N 341.184 2.517 0 50 EFAA CCc1nocc1CN(C)c1nccn2nc(C(F)(F)F)cc12 893989284 TXSNLZCQKZKBLZ-UHFFFAOYSA-N 325.294 2.935 0 50 EFAA CC(C)(C)OC(=O)N1CC2(CC[C@H](N[C@@H]3CCc4c[nH]nc4C3)C2)C1 1775985455 HSVQMMUEJBDYRH-CABCVRRESA-N 346.475 2.646 0 50 EFAA CCNC(=O)C1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 170595218 MLNJTFRATGMZNC-UHFFFAOYSA-N 335.395 2.818 0 50 EFAA CC[C@H]1CN(Cc2ccc(O)c3nc(C)ccc23)CCN1CCOC 170616845 NKYHFEAPKQIHOF-KRWDZBQOSA-N 343.471 2.791 0 50 EFAA O=C(O)c1cc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)ccc1O 633138298 IVILDCSSDOSYHM-LIRRHRJNSA-N 339.347 2.769 0 50 EFAA CC(C)N1CCC(NC(=O)CN(C)[C@@H]2CCc3ccccc32)CC1 172243304 ROVNCGHVAWDRQM-LJQANCHMSA-N 329.488 2.595 0 50 EFAA O=C(CCCc1cccs1)N[C@@H]1CS(=O)(=O)c2ccccc21 172328376 DGSWQRKKFFTWMP-CQSZACIVSA-N 335.450 2.716 0 50 EFAA Cc1cc(C(=O)N2CCN[C@H](C)C2)c2cc(Br)ccc2n1 188397180 KMJLXTPNULJBNV-LLVKDONJSA-N 348.244 2.740 0 50 EFAA O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)[C@H]1CCCNC1 638848755 LTBAPFGFAPAYDV-NSHDSACASA-N 339.361 2.845 0 50 EFAA CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)C2(C)CC2)no1 408460807 RIZIYYFAFQPPDS-LBPRGKRZSA-N 327.450 2.992 0 50 EFAA CCS[C@@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 225549220 ZYZIZNPHNYGVEY-ZIAGYGMSSA-N 346.518 2.684 0 50 EFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N(Cc5ccco5)Cc5ccco5)[C@H]1[C@@H]3[C@@H]42 669695059 ZMLXSNKONMOVPB-RGFIYFQXSA-N 349.386 2.728 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)CCN3CCCCC3=O)s2)cc1 1506420546 ILJCZKHQJWGIKC-UHFFFAOYSA-N 344.440 2.855 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCCN(Cc2ccoc2)CC1 1529195146 GJHPCVOQGCUUMW-UHFFFAOYSA-N 336.395 2.571 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)nn1C 1529150762 AMMKXAIKZNVIBZ-ZWKOTPCHSA-N 325.412 2.721 0 50 EFAA CN(C(=O)CCCc1ccc(F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704299576 RRGJCCHRDUTVOB-HLLBOEOZSA-N 332.419 2.522 0 50 EFAA CCc1ncnc(N2CCC[C@]3(CCc4cnc(C)nc43)C2)c1F 1704331018 JBILGLBIGGSTIU-SFHVURJKSA-N 327.407 2.761 0 50 EFAA CC1=CC(C)(C)Nc2c(C(=O)C(=O)N3CCOCC3)cc(C)cc21 1738810302 CSAWMXPHPJFRGY-UHFFFAOYSA-N 328.412 2.644 0 50 EFAA CN(C)Cc1nnc(NCCC2CCN(Cc3ccccc3)CC2)o1 1772707416 SKLQNBYFNMVPCU-UHFFFAOYSA-N 343.475 2.845 0 50 EFAA O=C(CC1CCCC1)N1CCCN(C2CSCCSC2)CC1 1772816526 OXPJSGUIJQIVHN-UHFFFAOYSA-N 342.574 2.950 0 50 EFAA COCCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 5027877 FBEQDQCQAGCCFX-JTQLQIEISA-N 339.442 2.683 0 50 EFAA CSc1ncccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 12206562 ONZDTRMMVGIFGZ-HNNXBMFYSA-N 328.437 2.887 0 50 EFAA O=C(CCc1cnccn1)N[C@H]1CCCN(C2CCCCCC2)C1 12757360 SUCWAFKEXYJEMC-KRWDZBQOSA-N 330.476 2.713 0 50 EFAA CCCCc1nc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c[nH]1 19839257 INDWRPZBPSBWSA-SFHVURJKSA-N 336.524 2.667 0 50 EFAA NC(=O)c1cccnc1N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210406256 NZBZXRGYIGVUCP-MJGOQNOKSA-N 347.418 2.689 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)c2ccoc2Br)n[nH]1 408469451 JDTHDSQULYPJAH-JTQLQIEISA-N 339.193 2.836 0 50 EFAA CCS(=O)(=O)c1ccc(N[C@H](C)C(=O)N2CCCC[C@H]2C)cc1 225517842 ZYHMOIALDHSROS-ZIAGYGMSSA-N 338.473 2.682 0 50 EFAA CC(C)c1ccc(OCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 331568613 JYAWDNBMCDRNHX-QRVBRYPASA-N 347.455 2.577 0 50 EFAA CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cc3ccccc3o2)C1 132492012 HMDFJFDXPDUZQK-GXTWGEPZSA-N 344.415 2.597 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1F 247262155 RRWBGOUFUBDDCS-NVXWUHKLSA-N 349.450 2.503 0 50 EFAA CCC1(CC)CN(C(=O)NC[C@H]2CCN(C3CC3)C2)CCS1 464372573 HFLRIPLIHYUNRA-CQSZACIVSA-N 325.522 2.788 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N2CCC(c3nncn3C)CC2)cc1F 151580616 ZRRNIPPTTKBWPH-ZDUSSCGKSA-N 345.422 2.913 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cc1C 830403558 YAFXVJYIFFWSKL-JCKWVBRZSA-N 343.427 2.692 0 50 EFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)Nc1cnn(C2CCC2)c1 931137010 VVPHAQVVRYMVIX-CQSZACIVSA-N 330.392 2.837 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2ccn(C(C)C)n2)cn1 931243288 BBLMVNFKYFNXIZ-LSDHHAIUSA-N 346.435 2.802 0 50 EFAA O=C(c1cc(C(F)F)ncn1)N1CCC(O)(c2ccccc2)CC1 935419136 HELJKPMELRTWIJ-UHFFFAOYSA-N 333.338 2.538 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 87977 WAMSGSJLWLGRIC-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1 477053 MAMUAAAILSXXBQ-KRWDZBQOSA-N 341.436 2.593 0 50 EFAA O=C1CC[C@H]2CN(C(=O)c3ccc4c(c3)-c3ccccc3C4)CC[C@@H]2N1 855678651 ZFRKALHEISUOSD-PXNSSMCTSA-N 346.430 2.999 0 50 EFAA O=S1(=O)CCCC[C@@H]1c1nc(-c2nccc3c2CCCC3)no1 903763599 VAGOZOOYOJDBCG-CYBMUJFWSA-N 333.413 2.650 0 50 EFAA O=C(Nc1ccc2ncsc2c1)N1CCCN(C(=O)C2CC2)CC1 121840331 XEHMNFRMWOZQNA-UHFFFAOYSA-N 344.440 2.773 0 50 EFAA O[C@@H](CN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)C(F)(F)F 122009443 LHROOZIYABIULX-STQMWFEESA-N 340.349 2.574 0 50 EFAA Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 416247 WBTUTYWEYCQWCV-UHFFFAOYSA-N 340.408 2.757 0 50 EFAA CCn1cc([C@H](C)NC(=O)Nc2ccccc2C(=O)OC)c(C)n1 621499 MACPLJGPQURFIW-NSHDSACASA-N 330.388 2.881 0 50 EFAA COc1ccc(-c2onc(NCCCn3cccn3)c2C(=O)O)cc1 2356155730 LCXLPYYXCCAKEZ-UHFFFAOYSA-N 342.355 2.747 0 50 EFAA COc1ccc(-c2n[nH]c(SCC(=O)Nc3nccs3)n2)cc1 4777246 ADTDBQDUBVOEQL-UHFFFAOYSA-N 347.425 2.668 0 50 EFAA CCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 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2.790 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 429153803 XAFLFMJAODVGQS-NEPJUHHUSA-N 328.815 2.834 0 50 EFAA CC(C)(C)c1cnc(NC(=O)N2CCC(F)(F)[C@H](CO)C2)s1 361761540 YRACPWSTTNIVTK-VIFPVBQESA-N 333.404 2.922 0 50 EFAA Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nc(C2CC2)n1 284911109 PCXZKTRDHBENSS-MAUKXSAKSA-N 340.475 2.891 0 50 EFAA O=C(NC1CCC(N2C(=O)CCC2=O)CC1)[C@H]1C[C@@H]1C1CCCCC1 127318515 XYSYMAOWDRHSJW-BACDZXNISA-N 346.471 2.779 0 50 EFAA Cc1csc2c(N3CCC(c4nc(N(C)C)n[nH]4)CC3)ncnc12 376387177 UJEXOEPVZNULIT-UHFFFAOYSA-N 343.460 2.568 0 50 EFAA CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cc1 236784271 CGJGQQSEVVTBAW-MRXNPFEDSA-N 344.342 2.730 0 50 EFAA Cc1nonc1OCCNc1cc(-c2ccccc2)nc2ccnn12 72423427 KEQVESIVSLCQON-UHFFFAOYSA-N 336.355 2.579 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)n1 219656007 JTALTQQHFCXXPP-LALPHHSUSA-N 331.441 2.904 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 128556496 SOAPTLYNWBLDEX-CDAZIORVSA-N 344.230 2.847 0 50 EFAA 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349.394 2.853 0 50 EFAA OCCOC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 892993351 DTSPZMYYHLYTPN-UHFFFAOYSA-N 333.819 2.775 0 50 EFAA O=S(=O)(Cc1cnn(CCF)c1)c1ccccc1Br 899465310 KZQDXXFKDCJAPY-UHFFFAOYSA-N 347.209 2.589 0 50 EFAA CN(C)C(=O)NCc1cn(-c2cc(C(F)(F)F)ccc2Cl)nn1 899732743 KRMDKNDXFYENPM-UHFFFAOYSA-N 347.728 2.711 0 50 EFAA Cc1cc(C(F)(F)F)c(N2CCN[C@H](c3ccc(O)cc3)C2)nn1 1363738919 NVLWKNVDCUSFJJ-AWEZNQCLSA-N 338.333 2.660 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2nccn2C)cc1 1565526927 XTAVQDLGPGCCRN-MSOLQXFVSA-N 340.471 2.525 0 50 EFAA CCc1noc(C2CCC(N[C@H]3CCO[C@@H]3c3nccn3C)CC2)n1 275652921 ULGCSBIUJUJBRD-UJJWPFCGSA-N 345.447 2.512 0 50 EFAA Cc1ccc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c(C)n1 276033856 RHNGAMOUUYTWPL-AWEZNQCLSA-N 345.403 2.810 0 50 EFAA Fc1ccc2c(c1)[C@H](c1noc(C3CN(CC(F)(F)F)C3)n1)C2 632220884 IUMFILPNKICDLT-GFCCVEGCSA-N 327.281 2.858 0 50 EFAA Cc1ccc(-n2nc(C(=O)N(C)CC(C)(C)O)c3c2CCC3)c(C)c1 170017750 CPKVHERDTWEOLI-UHFFFAOYSA-N 341.455 2.821 0 50 EFAA 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O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(O)nc1 126444231 UCUFKYBIDPDVKW-ZDUSSCGKSA-N 331.803 2.839 0 50 EFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 126898217 ZFMWDYLAABRXQJ-IRXDYDNUSA-N 338.407 2.676 0 50 EFAA COc1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)nc1 333387946 LNHPYEKIVPUHMI-KRWDZBQOSA-N 345.443 2.581 0 50 EFAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 237975740 MGMKHMVCVBWAKN-ARFHVFGLSA-N 330.428 2.639 0 50 EFAA COCCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCCCC1 368527336 XUSJQQHUGICUJP-IAGOWNOFSA-N 337.508 2.709 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1 261918995 XKBRHVHNQPUCOQ-GFCCVEGCSA-N 331.343 2.951 0 50 EFAA CCO[C@H](CNC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 377084163 QTUHMUOXYDNVAO-QGZVFWFLSA-N 332.444 2.976 0 50 EFAA O=C1C[C@@H](c2ccccc2)N(Cc2csc(C(=O)O)c2)CCN1 901424543 NIFYAPCGMFDURP-AWEZNQCLSA-N 330.409 2.510 0 50 EFAA O=S(=O)(c1ccoc1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 907527336 OOKCEJIGADEJQE-QGZVFWFLSA-N 331.393 2.909 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2NC(=O)c2ccsc2C(F)F)cn1 823271692 ZSUNTCZNLHAKDD-MNOVXSKESA-N 327.356 2.679 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cn2ccnc12 931554491 QIPIREWDFSEFDX-CQSZACIVSA-N 338.415 2.788 0 50 EFAA COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C3CC3)nn1C)CCO2 935425666 NHAFRXLRRFLHIY-AWEZNQCLSA-N 327.384 2.560 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@H](O)C3)ncnc21 2100541077 UWRXVJIHSWTXRH-AWEZNQCLSA-N 331.464 2.786 0 50 EFAA C[C@@H](NCc1cccnc1-n1cncn1)c1cnn(-c2ccccc2)c1 2325742082 TVFNGBXHVCYMRO-OAHLLOKOSA-N 345.410 2.699 0 50 EFAA COC1(CNC(=O)c2c(C(F)F)nc3cnccn23)CCCCC1 890019964 ZGMWLJKSVHOZKW-UHFFFAOYSA-N 338.358 2.746 0 50 EFAA CSc1ccc(O[C@@H](C)C(=O)OCCNc2cnccn2)cc1 893355115 JIHBZWIEOHBHDD-LBPRGKRZSA-N 333.413 2.621 0 50 EFAA Nc1nccnc1C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 128892358 OYOFLZIRJHJLSN-UHFFFAOYSA-N 345.406 2.926 0 50 EFAA COc1cccc2cc(C(=O)Nc3ccccc3C(=O)O)c(=O)oc12 281314 LNGRNSSMWVDUPX-UHFFFAOYSA-N 339.303 2.752 0 50 EFAA O=C(c1cc(-c2ccccc2)on1)N1CCc2nc(C3CC3)nn2CC1 2356149462 BIOMNKZNKJYNTE-UHFFFAOYSA-N 349.394 2.509 0 50 EFAA CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC 4225851 CYVHSLAIXYEXNK-UHFFFAOYSA-N 335.452 2.606 0 50 EFAA O=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 4858052 HPSCQXCKVPIFKZ-UHFFFAOYSA-N 349.799 2.869 0 50 EFAA CCOc1c(CN[C@H](CC)CO)cc(Br)cc1OC 10474300 UWPFDJBLRXUAPM-GFCCVEGCSA-N 332.238 2.717 0 50 EFAA CCc1cccc(NC(=O)CCC(=O)N[C@@H](C)CCn2cccn2)c1 55413140 GHKDDNXEWBTDPW-HNNXBMFYSA-N 342.443 2.759 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)NCc1noc(-c2cccs2)n1 50628594 ZUYYMINEDYAKIY-UHFFFAOYSA-N 339.380 2.533 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(C)no1 117708701 NBMGWXOIPZPINF-CQSZACIVSA-N 343.383 2.543 0 50 EFAA O=C(O)c1cc2n(n1)CCN(Cc1ccc(-c3ccccn3)cc1)C2 65459753 ATTLDSQBUIVSBJ-UHFFFAOYSA-N 334.379 2.659 0 50 EFAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](N3CCCC3)C2)c1C 229750598 HVJURTDAYUUKPG-WOJBJXKFSA-N 346.515 2.912 0 50 EFAA O[C@@H]1CN(c2ncccc2Cl)CC[C@H]1c1ccc2c(c1)OCO2 67654839 RILBNASOQKRIQR-GXTWGEPZSA-N 332.787 2.819 0 50 EFAA COc1ccc(C(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)o1 11763951 JHSUNIQIYJJYPW-LBPRGKRZSA-N 338.367 2.940 0 50 EFAA CC(C)Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cc(O)n1 331997727 VCIXDFVYUKBWQW-QZTJIDSGSA-N 340.423 2.934 0 50 EFAA COc1cccc2c1OC[C@H](NCc1ccc(NC(C)=O)cc1)C2 20232646 WVSBVABRCTYQEC-QGZVFWFLSA-N 326.396 2.747 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1c(F)ccc(C)c1F)C2 67726620 ABMCAMIUXCTKKY-NSHDSACASA-N 349.381 2.835 0 50 EFAA Cc1cscc1NC(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 123706496 UIVMIMHMPKPNOA-HZPDHXFCSA-N 337.489 2.946 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ncoc3CC)CC2)OC1=O 77287248 XOJZRAQOQPTEDV-ZDUSSCGKSA-N 349.431 2.853 0 50 EFAA Cn1ccnc1CN(Cc1ccncc1Cl)[C@H]1CC12CCNCC2 435693039 IFVBVFZQZWEHBH-INIZCTEOSA-N 345.878 2.613 0 50 EFAA CC1(C)CN(S(=O)(=O)c2ccc3c(c2)COC3)[C@@H]1c1ccncc1 330299733 MNZMJFKNXBKRDA-QGZVFWFLSA-N 344.436 2.884 0 50 EFAA O=C1CC[C@@]2(CCCN(c3ccccn3)C2)CN1Cc1ccncc1 72430919 WUNWYLUKBTZWAX-HXUWFJFHSA-N 336.439 2.886 0 50 EFAA O=S(=O)(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1 72144080 LUFYYJCIKLRRPF-UHFFFAOYSA-N 328.397 2.523 0 50 EFAA CNc1nc(CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cs1 331511090 RARUTMRNOLHATF-MRVPVSSYSA-N 337.474 3.088 0 50 EFAA O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCCN1C(=O)c1ccco1 127566458 LUDAVEMQHMAPIN-OAHLLOKOSA-N 338.367 2.789 0 50 EFAA Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]c(=O)c(Cl)c2)c(C)s1 77423674 XAPCBNZGPIWCPI-SSDOTTSWSA-N 325.821 2.935 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 174639285 HNLVEDDIUBRAJK-UGKGYDQZSA-N 348.446 2.795 0 50 EFAA O=C(NCc1cnn2ccccc12)N[C@@H]1CCOC2(CCCC2)C1 376552497 DWSZZQDGAFDNJH-OAHLLOKOSA-N 328.416 2.625 0 50 EFAA Oc1ccc(Br)c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1 377710052 ZTFMQSVDIQZUGI-GJZGRUSLSA-N 342.233 2.535 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cnoc3C)C2)cc1 77427842 QLOAIJRBFCEHMS-AWEZNQCLSA-N 330.384 2.923 0 50 EFAA COc1ccc(CCC(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cc1 379242116 XIKHXWJRDJMCEI-JSGCOSHPSA-N 330.350 2.508 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2ccoc2)C1 72463232 UGMDMCMETYITNP-QGZVFWFLSA-N 343.475 2.774 0 50 EFAA Cc1ccc(NC(=O)c2[nH]ccc2C)cc1S(=O)(=O)NC(C)(C)C 239807512 CSPGAINKDJDFGU-UHFFFAOYSA-N 349.456 2.961 0 50 EFAA CN(C)c1ncccc1N(C)C(=O)COc1ccsc1Cl 242047945 VRLZHUQBCNOBLV-UHFFFAOYSA-N 325.821 2.904 0 50 EFAA CN(CCNC(=O)[C@H](c1ccccc1)n1cccn1)Cc1ccccc1 338159724 SESRFHOFGUVZSF-FQEVSTJZSA-N 348.450 2.721 0 50 EFAA Cc1nc(C)c(CCNc2cc(N3CCCC[C@@H]3CO)ncn2)s1 225478681 QNKTYDVFBNAMKR-CQSZACIVSA-N 347.488 2.556 0 50 EFAA Cc1ncsc1CCNC(=O)C1CCN(C(=O)C2CCCC2)CC1 221266917 FUYFXWNRALVTHY-UHFFFAOYSA-N 349.500 2.539 0 50 EFAA Cc1nn2c(ncc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccccc1 40396273 QTSQQRQPFYCCDI-GFCCVEGCSA-N 348.362 2.665 0 50 EFAA O=C1COc2c(F)cc(NC(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)cc2N1 426401635 CVDWOZOEHPWRKH-NIFPGPBJSA-N 345.374 2.666 0 50 EFAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H](O)c1ccc(F)cc1 220443388 OACMYSFHAKVKLS-HNNXBMFYSA-N 333.363 2.606 0 50 EFAA CC(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)s1 223432381 JWUXZYPPZAUERL-UHFFFAOYSA-N 345.346 2.904 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3cccc(O)c3Cl)C2)n1 426667360 JGKHFHHLYMVMMM-LBPRGKRZSA-N 349.818 2.706 0 50 EFAA Cc1cc2occ(CC(=O)N[C@@H](C)c3nc(N)n[nH]3)c2c(C)c1Cl 426431762 IJQKWEUSQOHFGM-VIFPVBQESA-N 347.806 2.823 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cnc(C3CC3)nc2)N2CCCC2)o1 294516606 KMRJVGJTWCKIBM-INIZCTEOSA-N 340.427 2.822 0 50 EFAA CCc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)ccn1 91635590 RSUKUAUZWNZSHW-FQEVSTJZSA-N 341.455 2.509 0 50 EFAA COc1ncccc1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O 146390693 QNRYOHUELXDGCY-SJLPKXTDSA-N 326.396 2.647 0 50 EFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)o1 236645093 NBAWCWGFFXJSBE-HNNXBMFYSA-N 329.352 2.970 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCOc2ccccc2C1 97370393 SMUDQHDCEYGNDR-MRXNPFEDSA-N 341.455 2.727 0 50 EFAA CCCc1nc(C(=O)N2CCN(Cc3ncccc3C)CC2)cs1 91320646 NESDSXSLWOCDFE-UHFFFAOYSA-N 344.484 2.757 0 50 EFAA COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)nc1 338288924 RWGYPDHOCDOWBO-LBPRGKRZSA-N 332.400 2.967 0 50 EFAA Cn1cnc2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)ccc21 97636620 MUKQTMBRQOFWQC-QGZVFWFLSA-N 338.411 2.733 0 50 EFAA COc1ccccc1N1C(=O)[C@H]2[C@H]3CC(=O)[C@@H](c4ccccc43)[C@H]2C1=O 248115367 ATNBNHLZMCGOMK-NUDXDXSLSA-N 347.370 2.655 0 50 EFAA Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccc(O)cc1F 183057236 UDXYPFAILKPMSB-UHFFFAOYSA-N 325.343 2.955 0 50 EFAA CC[C@@H](NC(=O)c1cnoc1-c1ccccc1)c1ncnn1CC 534631838 BAMYJLZAAPMTBP-CQSZACIVSA-N 325.372 2.834 0 50 EFAA Cc1nc(C2CCN(C(=O)c3ccc4nc(C)oc4c3)CC2)n[nH]1 373455156 POUHKMODCKJAHU-UHFFFAOYSA-N 325.372 2.583 0 50 EFAA Cn1c(=O)oc2ccc(C(=O)NCCCOC3CCCCC3)cc21 299794453 JINRRWCMVCRLJK-UHFFFAOYSA-N 332.400 2.601 0 50 EFAA Cc1cc(C(C)C)nc(N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)n1 865651031 MMWAPUDFDKNPBI-WBVHZDCISA-N 329.448 2.734 0 50 EFAA COc1cccc2c1CC[C@@H]2NC(=O)NCc1cccnc1N(C)C 164455998 PQWXBLYTTBWZKN-INIZCTEOSA-N 340.427 2.643 0 50 EFAA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1Cc1nc[nH]n1 952993367 RJUJMLUZTKGSOO-VXGBXAGGSA-N 339.365 2.923 0 50 EFAA COc1cc(F)c([C@H](N)C(=O)NCc2ccc(F)c(F)c2)c(F)c1 1875344726 KJARFDQNVFUYAQ-HNNXBMFYSA-N 342.292 2.568 0 50 EFAA Cc1ocnc1C(=O)Nc1cc(Br)cc2c1OCO2 1875341316 ONAWICAWXCGARO-UHFFFAOYSA-N 325.118 2.727 0 50 EFAA CN1C[C@@H](CC(=O)NC23CCC(C(=O)O)(CC2)CC3)c2ccccc21 1875312108 HPHPEJDKGZMAHL-WPUWVODUSA-N 342.439 2.904 0 50 EFAA CC(C)(O)c1cn([C@H]2CCCN(c3ccccc3Cl)C2=O)nn1 881312114 WUBSOHRCNJSBKY-ZDUSSCGKSA-N 334.807 2.527 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccccc1C 886036516 IZPVKSREEBVPKE-WWORIFPMSA-N 329.440 2.787 0 50 EFAA Cc1cc(C(=O)NCc2nnc([C@H]3CCCOC3)o2)ccc1Cl 886096932 OZWXRIHKQLFVTN-LBPRGKRZSA-N 335.791 2.855 0 50 EFAA C[C@]1(CO)CCN1C(=O)CCSc1ccccc1Br 1776006708 UCNFVBWJIZVUIX-CQSZACIVSA-N 344.274 2.915 0 50 EFAA CCC[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1N(C)C 1565516865 QJUQYZDONZOJPC-YOEHRIQHSA-N 326.444 2.879 0 50 EFAA CCOC(=O)c1cnc(C)c(C(=O)N2CCOc3cc(C)ccc32)c1 271043578 USLRBUVJQXTAMW-UHFFFAOYSA-N 340.379 2.914 0 50 EFAA CCOc1ccccc1C(=O)NCC(=O)N1CC[C@H](C)C2(CCC2)C1 271582873 REIJTBJSNCKNTL-HNNXBMFYSA-N 344.455 2.854 0 50 EFAA Cc1oc2ccccc2c1CN[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275615828 RFDPMRFPPZZMSB-APWZRJJASA-N 338.411 2.584 0 50 EFAA c1ccc(CN(Cc2cccc3c2OCO3)[C@H]2CCCNCC2)nc1 275840992 XPLFSHYETUOSMC-SFHVURJKSA-N 339.439 2.955 0 50 EFAA CC(C)(C)OC(=O)N1CCCc2[nH]nc(I)c21 91302790 BEYVTRORFYYQQH-UHFFFAOYSA-N 349.172 2.702 0 50 EFAA in-vitro O=C(c1cnn2ccccc12)N1CC[C@H](Cc2ccc(CO)cc2)C1 91858029 VJFWWCQAIBDJTR-QGZVFWFLSA-N 335.407 2.531 0 50 EFAA CC(C)Oc1ccccc1CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 279297940 LTQYHQXGTHIMTI-CQSZACIVSA-N 344.377 2.974 0 50 EFAA O=C(NC1CC1)[C@H](N[C@H]1COc2ccccc21)c1ccc(F)cc1 170789511 GDEMZFXTKZPTOK-FUHWJXTLSA-N 326.371 2.869 0 50 EFAA Cc1csc([C@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)n1 171639008 SVOVKTIESYETCM-CQSZACIVSA-N 341.440 2.550 0 50 EFAA COc1ccccc1[C@@H](C)NC(=O)Cn1c(C)nc2c1CCCC2 408518376 DWZLPAURXANACS-CYBMUJFWSA-N 327.428 2.956 0 50 EFAA OCc1nnn2c1CN(Cc1ccccc1Oc1ccccc1)CC2 408523703 MNMNDVMCOYIBMG-UHFFFAOYSA-N 336.395 2.579 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(CCc3ccccc3)C2)C1 408517970 QPUBZPPUAJOVGG-PMACEKPBSA-N 344.499 2.826 0 50 EFAA O=C(Cc1noc(-c2coc(CC3CC3)n2)n1)NC1CCCCC1 225465866 QSBDWZGBGREKIH-UHFFFAOYSA-N 330.388 2.669 0 50 EFAA Cc1c([C@@H](C)N[C@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C 191371032 RWESWHQXWFLKRS-PWSUYJOCSA-N 332.370 2.586 0 50 EFAA Cn1cc(NC(=O)CCn2ccccc2=O)c(C2CCCCC2)n1 650488179 DTXRZTMVYHQMRX-UHFFFAOYSA-N 328.416 2.658 0 50 EFAA CSc1cccc(CN(C(=O)CCS(C)(=O)=O)C(C)C)c1 1506409439 ZQIRTOJIMRSZHK-UHFFFAOYSA-N 329.487 2.580 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529189076 DZIWIQKZEQRXHJ-HUUCEWRRSA-N 345.468 2.957 0 50 EFAA COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 12383567 JGOIZQLYQSLLNS-GFCCVEGCSA-N 339.388 2.580 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 12591654 ALRLFROFDMVYAC-MRXNPFEDSA-N 339.439 2.574 0 50 EFAA CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1OC 12651053 OJGMGBIGLIDMJS-UHFFFAOYSA-N 348.424 2.554 0 50 EFAA O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1C1CCCC1 13690103 GQZJDNYBOSWDMF-UHFFFAOYSA-N 332.367 2.616 0 50 EFAA CC[C@@H](COC)Nc1ncnc2sc(C(=O)NC(C)C)c(C)c12 14994217 RTYNYYVTWOEJJK-NSHDSACASA-N 336.461 2.975 0 50 EFAA Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1 17251198 GONUUGSZCSXHGE-UHFFFAOYSA-N 332.411 2.756 0 50 EFAA COc1cccc(OC)c1C(=O)N1CCN(c2ccccc2)CC1 18137815 PMSUMSXBTYYFJF-UHFFFAOYSA-N 326.396 2.666 0 50 EFAA CCC[C@H]1COC[C@H]2CN(c3ccc4cccc(OC)c4n3)CCN12 1857730099 JLENAHVOSKMAQN-DLBZAZTESA-N 341.455 2.933 0 50 EFAA Cc1nc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c(C)o1 408523980 WTWLXMBUFAZSPY-UHFFFAOYSA-N 337.807 2.621 0 50 EFAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cnsn1 225758842 BENXPERQLGIEEO-HNNXBMFYSA-N 330.457 2.569 0 50 EFAA CCCN1C[C@H](CNC(=O)c2cc3ccc(F)cc3nc2C)CC1=O 421603592 OVJIUUAMQYLPIZ-ZDUSSCGKSA-N 343.402 2.671 0 50 EFAA C[C@@H](NC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cn1 432772398 UAIVSPIKYVAEEM-SNVBAGLBSA-N 347.831 2.747 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1 124243168 YJVQEEDPTBUWSN-DTWKUNHWSA-N 338.335 2.539 0 50 EFAA O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCc2ccc(F)cc2C1 128221028 OAQCEEXYSMIQTL-KRWDZBQOSA-N 340.402 2.567 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1cscc1C)CC2 239619596 BFQHSPGQNZNKMP-CABCVRRESA-N 338.473 2.518 0 50 EFAA Cc1ccc2cc(C(=O)N3CCO[C@H](COC(C)C)C3)ccc2n1 364281906 NGENQUZCNQLPJF-KRWDZBQOSA-N 328.412 2.809 0 50 EFAA Cn1cc([C@@H]2OCCC[C@H]2CNCc2ccc(C(C)(C)O)cc2)cn1 850251291 RQXLMTHLZGWENW-QFBILLFUSA-N 343.471 2.905 0 50 EFAA CCC(=O)N1CCc2ccc(NC(=O)N3CC4(CCOCC4)C3)cc21 934180836 WZIFYTRZJONUOL-UHFFFAOYSA-N 343.427 2.630 0 50 EFAA CCOc1ccc([C@@H](COC)Nc2ncc3c(n2)CCOC3)cc1 2325775500 ZHMNCISTNWNBSB-QGZVFWFLSA-N 329.400 2.748 0 50 EFAA CCN(CC)CCn1c(NC(=O)C(F)(F)F)nc2ccccc21 193459 HVOOVSXVKZAOOO-UHFFFAOYSA-N 328.338 2.879 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CSc2nccc(C)n2)cc1 419500 PJIVOWVSTLMGBV-UHFFFAOYSA-N 331.397 2.693 0 50 EFAA O=C(CCCc1nc(-c2ccccc2Cl)no1)N1CCOCC1 2219893 WUJPBBOHMBUQEC-UHFFFAOYSA-N 335.791 2.572 0 50 EFAA Cc1cc(C)n(-c2ccccc2CN2CCC[C@@]23CCCNC3=O)n1 2356155928 OCUFNDCSYYIBNA-HXUWFJFHSA-N 338.455 2.734 0 50 EFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@]12CCCNC2=O 2356158314 HQFBSAQFOFPCEJ-HNNXBMFYSA-N 327.211 2.878 0 50 EFAA CN1CCC(CNc2nccc(-c3ccc(N(C)C)cc3)n2)CC1 2356166488 ZRKIFJPGZFEBIG-UHFFFAOYSA-N 325.460 2.963 0 50 EFAA O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N1CCCC1 6702301 WEUXDAZGUHCJQQ-UHFFFAOYSA-N 329.421 2.897 0 50 EFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1OC 6730291 GCYWBXLEDFNDIC-YUTCNCBUSA-N 335.400 2.772 0 50 EFAA O=C(NCc1ccco1)C1CCN(C(=O)c2ccccc2F)CC1 9341249 HTQGYGYFDDPFSL-UHFFFAOYSA-N 330.359 2.587 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(-c2ccccn2)c1C 348459456 SAHBHHLIYBYVQM-JKSUJKDBSA-N 340.423 2.933 0 50 EFAA O=C1CC[C@@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1 67641197 VTJIDDKTZMQEMP-OAHLLOKOSA-N 332.448 2.608 0 50 EFAA C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 119887490 JXAIGLDVRIMLLH-RHSMWYFYSA-N 331.437 2.962 0 50 EFAA C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@@](C)(O)c2cccc(F)c2)C1 229719390 WJGALBKJVGMKKK-GJRWTSMGSA-N 336.451 2.516 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)cn1 332537639 YYXXATNCZLZHNF-UHFFFAOYSA-N 332.429 2.576 0 50 EFAA Cc1nc2cc(CC(=O)N3Cc4cnc(CC(C)C)nc4C3)ccc2[nH]1 67741452 RFXZCUMDTUEYGG-UHFFFAOYSA-N 349.438 2.945 0 50 EFAA CC(=O)c1cccc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)c1 22913144 NEOSSPVSHVYLME-FQEVSTJZSA-N 330.472 2.724 0 50 EFAA O=C(O)Cc1cc(C2CCN(c3noc4ccccc34)CC2)n[nH]1 67934196 KFSIXRAYPLJUHT-UHFFFAOYSA-N 326.356 2.562 0 50 EFAA Cc1cc([C@@H]2CCCN([C@H](C)C(=O)N3CCc4ccccc43)C2)n[nH]1 257366135 KTZGQKFZLRHWFW-NVXWUHKLSA-N 338.455 2.875 0 50 EFAA NC(=O)c1noc([C@@H]2CCCN2CCCc2ccc(Cl)cc2)n1 328646981 SZNVDIKUCNONNB-ZDUSSCGKSA-N 334.807 2.592 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@]12CCOC2)c1nc(-c2ccncc2)cs1 332914949 VJMVSLOIRPRFSP-PPHDSNJXSA-N 329.425 2.809 0 50 EFAA O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1CN1CCC[C@H]1CO 252677330 YJLJVHOMACBHLK-CVEARBPZSA-N 337.851 2.793 0 50 EFAA CCOc1cccc(CNC(=O)c2ccc(N3CCOCC3)cc2)c1 30756495 QCKRNNSFWKRGGZ-UHFFFAOYSA-N 340.423 2.852 0 50 EFAA Cc1c(CN(C)C(=O)CCn2c(C)cccc2=O)[nH]c2ccccc12 71735774 AYUXOQXNNYCIQR-UHFFFAOYSA-N 337.423 2.995 0 50 EFAA O=C1C[C@@H](NCc2ncnn2-c2ccccc2)CCN1c1ccccc1 253428139 CBNYDTIEERRVEZ-INIZCTEOSA-N 347.422 2.553 0 50 EFAA O=C(Nc1cccc(C2CC2)n1)N1CCC[C@H](N2CCCC2=O)CC1 333948254 WEGFCESRBVJHCI-HNNXBMFYSA-N 342.443 2.968 0 50 EFAA COc1cccc([C@H]2CCCN2C(=O)CN(C)Cc2ccncc2)c1 219531917 ADHAZVOIHOQGLT-LJQANCHMSA-N 339.439 2.886 0 50 EFAA O=C(NC[C@H]1OCCc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 378523563 RURCVLOQTTZCSJ-QZTJIDSGSA-N 340.427 2.960 0 50 EFAA C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(-c2nnn[nH]2)cc1 156681435 KAUXGPOMJQYOCM-CYBMUJFWSA-N 343.431 2.611 0 50 EFAA C[C@@H](Oc1ccccc1F)C(=O)N1CCc2ccc(C(=O)O)cc2C1 262184912 JCKMWDSRLGEJMN-GFCCVEGCSA-N 343.354 2.876 0 50 EFAA O=C(c1occc1COc1ccccc1)N1CCC[C@@](F)(CO)C1 376407062 KMEJGTAYQTZCJQ-SFHVURJKSA-N 333.359 2.795 0 50 EFAA CC(C)CC[C@@]1(C2CC2)NC(=O)N(Cc2noc(C3CC3)n2)C1=O 241316917 LWBNFIHKMUQOCK-KRWDZBQOSA-N 332.404 2.584 0 50 EFAA CC1(C)CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)Cc2ccccc21 285797781 XWKPDTHODPCHOI-UHFFFAOYSA-N 335.469 2.662 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ncc(F)cc1F 77516515 CALMOXHQPPNUEA-UHFFFAOYSA-N 328.322 2.818 0 50 EFAA C[C@H]1[C@@H](NCc2csnn2)[C@H](C)CCN1C(=O)OC(C)(C)C 497173644 WECAEPYOHMUJIH-MDZLAQPJSA-N 326.466 2.662 0 50 EFAA COc1c(Br)cc(C(=O)O)c(OC)c1Br 198678607 JQTFPMUTJOPXTH-UHFFFAOYSA-N 339.967 2.927 0 50 EFAA CNC[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Br 161333298 YUWIXYNHWWXVJK-SNVBAGLBSA-N 331.641 2.927 0 50 EFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](CN)C2)cc1 178529148 BDWIOWPSBQIVLS-CQSZACIVSA-N 325.412 2.860 0 50 EFAA Cc1ccc(CNC(=O)N[C@H]2CCCCC23CCCC3)c(=O)n1C 291220400 LLKPUETXIDMQOS-INIZCTEOSA-N 331.460 2.996 0 50 EFAA O=C1CCC2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)N1 221290610 IQWNXKKAORLZIZ-UHFFFAOYSA-N 341.238 2.807 0 50 EFAA CCCc1cnc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)s1 180245987 DATXZHRDVXJQPA-MRXNPFEDSA-N 345.468 2.935 0 50 EFAA CCCCOc1ccc(C)cc1-c1nc(N2CCOCC2)n(C)n1 96148637 CKUGCTHFCPTJMA-UHFFFAOYSA-N 330.432 2.806 0 50 EFAA Cc1ccn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95357231 VBWYDLNFZCIWKR-KRWDZBQOSA-N 341.411 2.686 0 50 EFAA Nc1nccc(C2CCN(C[C@H]3CCOc4ccccc4C3)CC2)n1 95512271 DYWMBANISCXNII-HNNXBMFYSA-N 338.455 2.880 0 50 EFAA COCC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)CCC3)C1 91585627 YIDXYGKWFODPSM-HXUWFJFHSA-N 333.472 2.795 0 50 EFAA Cc1ccnc(-c2noc(CN[C@@H](CCO)C3CCCCC3)n2)c1 295023738 QUKXBOXQPONDKB-HNNXBMFYSA-N 330.432 2.861 0 50 EFAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N(C)CC1CCOCC1 95353125 HRQLXZRPRSGWCH-HNNXBMFYSA-N 327.808 2.833 0 50 EFAA CC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)cc1 95517347 VQCJDBNXXYMRJA-HNNXBMFYSA-N 329.404 2.927 0 50 EFAA CC(C)n1ccnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 95500451 OJAPWOTXXIVGGJ-SFHVURJKSA-N 340.471 2.960 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(=O)N3)no1 96149371 GXRMJIDGLADFOP-HNNXBMFYSA-N 326.356 2.847 0 50 EFAA COC(=O)c1cccc(Cl)c1CN1C(=O)c2ccccc2C1=O 95218052 MZUPYWJJMSUZBR-UHFFFAOYSA-N 329.739 2.923 0 50 EFAA CO[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 244796121 RTHGLKTUOIALHR-SFHVURJKSA-N 326.396 2.839 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1CCSC[C@H]1c1nccs1 184155095 UREDDGRWOUAUPH-LBPRGKRZSA-N 330.438 2.950 0 50 EFAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCCCCC1 263617235 MVJVQCWVRIEWAK-INIZCTEOSA-N 344.390 2.705 0 50 EFAA COc1ccc(OC[C@H]2CCCN(C(=O)Nc3cnn(C)c3)C2)cc1 299772590 CQLXPOFSTIZXMT-AWEZNQCLSA-N 344.415 2.752 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)n1 299793704 HHJGQDSOASEIAK-CQSZACIVSA-N 337.383 2.568 0 50 EFAA COCCn1cnnc1CN(C)C(=O)Nc1ccc(C(C)C)cc1 824464001 NMNQINKZGZTZDQ-UHFFFAOYSA-N 331.420 2.712 0 50 EFAA COc1cccc(-c2cc(CNC(=O)[C@]3(C)CC(C)=NO3)on2)c1 584902417 XAXFALLHQHTMEI-KRWDZBQOSA-N 329.356 2.521 0 50 EFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)c1 952890184 OSWJVKSMTLINJE-HNNXBMFYSA-N 340.383 2.748 0 50 EFAA C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1Cc1nc[nH]n1 952993366 RJUJMLUZTKGSOO-TXEJJXNPSA-N 339.365 2.923 0 50 EFAA NC[C@]1(C(=O)N2CCC[C@@H](c3cc(O)cc(F)c3)C2)CC12CCC2 1875293033 ZZQOMLIZGDWTOL-YJYMSZOUSA-N 332.419 2.756 0 50 EFAA COC(=O)/C=C/CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 1875311570 FMJDMQSXIKEERL-FARCUNLSSA-N 341.329 2.973 0 50 EFAA CCCO[C@@H]1CCCN(S(=O)(=O)CCOc2ccc(C)cc2)C1 952989229 CHXIBXVNGIJGNV-QGZVFWFLSA-N 341.473 2.595 0 50 EFAA Cn1cc(Cl)c(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)n1 886569887 UYTVROBNSHJMEZ-NSHDSACASA-N 347.724 2.556 0 50 EFAA COc1cccc2c1OC[C@@H](NC(=O)c1ccc(F)cc1Cl)C2=O 1775986365 MZXILXQUDKZHBD-CYBMUJFWSA-N 349.745 2.861 0 50 EFAA O=C(c1ccc(F)c2cccnc12)N1CCC[C@H](N2CCCC2=O)C1 1776005753 GOYZTLDKHAJSSN-ZDUSSCGKSA-N 341.386 2.601 0 50 EFAA Cn1cc(Br)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1=O 1361975264 KILIYFAQQYVSFK-GUBZILKMSA-N 325.206 2.523 0 50 EFAA CC(C)c1nc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cs1 1565529906 VJDYFNOZSCBHFR-JSGCOSHPSA-N 347.440 2.628 0 50 EFAA Cc1nc(CS(=O)(=O)N[C@H](C)c2oc3ccccc3c2C)no1 1474867700 SWCZQKOOUYQHBO-SNVBAGLBSA-N 335.385 2.613 0 50 EFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2ccccc2F)nn1 276296567 JCNWKJOWAJVHDA-JKSUJKDBSA-N 332.423 2.918 0 50 EFAA CCc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)[nH]n1 277539313 AMTBNOZAXIHTBK-VIFPVBQESA-N 341.337 2.734 0 50 EFAA CC(C)(O)CCNC(=O)c1cc2sc(N3CCCC3)nc2s1 281440479 CNLKLLPCUSQZNK-UHFFFAOYSA-N 339.486 2.849 0 50 EFAA COc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO[C@@H]1C(C)C)n2C 408474468 YXPWIPXUBYZAAN-KBXCAEBGSA-N 345.443 2.649 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnn2ccccc12 190426385 KLWDZZNXMRRIEB-RDJZCZTQSA-N 325.416 2.561 0 50 EFAA CCn1cc([C@H]2CN(C(=O)N[C@H](C)Cc3cccs3)CCO2)cn1 191040035 IDTZVRCGNPFNAN-CZUORRHYSA-N 348.472 2.679 0 50 EFAA NC(=O)[C@@H](c1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 192282555 JKJYONNVBINRAR-GOSISDBHSA-N 340.398 2.921 0 50 EFAA C[C@H](Nc1ccc2c(c1)nnn2C)c1cccc(N2CCOCC2)c1 647331947 NHMGISJJWZMASV-AWEZNQCLSA-N 337.427 2.978 0 50 EFAA Cc1c(C(=O)Nc2cc(F)ccc2O)nnn1Cc1ccc(F)cc1 192826737 CUESOOWIZVRTAE-UHFFFAOYSA-N 344.321 2.871 0 50 EFAA Cc1ccc(C2(C(=O)N(CC(=O)O)C3CCOCC3)CCC2)cc1 647733477 DRBSWKQATFMXRI-UHFFFAOYSA-N 331.412 2.509 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCC12CCOCC2 658268871 LBUMRJOGELRVLD-CGTJXYLNSA-N 333.476 2.827 0 50 EFAA CN(CCOc1ccccc1)C(=O)c1cc(C(C)(C)C)nc(O)n1 1506431359 ITHUJSZJWYKOPV-UHFFFAOYSA-N 329.400 2.631 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1529166883 CDBNSXNNSSRIJM-WOJBJXKFSA-N 342.483 2.820 0 50 EFAA CCOc1ccccc1-c1nnc(NC(=O)c2snnc2C)o1 1529110862 SPUSAEZJRXZFRS-UHFFFAOYSA-N 331.357 2.548 0 50 EFAA O=C(CSc1ncccn1)N1CCC[C@@H](Nc2ccccc2)C1 11938291 NGOIPPSPABYLTM-OAHLLOKOSA-N 328.441 2.672 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12758424 NTPWKWNSYCVPEH-HNNXBMFYSA-N 347.459 2.664 0 50 EFAA CCOCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl 13676813 OKOWKDHGIQPKMU-UHFFFAOYSA-N 326.245 2.839 0 50 EFAA Sc1nnc(CN2CCSCC2)n1-c1cccc(Cl)c1 16671580 IBOJGNCBKMCVEB-UHFFFAOYSA-N 326.878 2.758 0 50 EFAA CCc1c(C)sc(NC(=O)/C=C/C(=O)O)c1C(=O)OC(C)C 2764115 QXAHHISUQWZHTM-VOTSOKGWSA-N 325.386 2.763 0 50 EFAA O=C(Cc1cccs1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 220345307 RAQQJRWZCYIXIJ-SPYBWZPUSA-N 343.448 2.854 0 50 EFAA Cc1cc[nH]c1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532081 XTWCHUFRSFAMJR-SCLBCKFNSA-N 326.400 2.777 0 50 EFAA NC(=O)c1ccc(-n2ccnc2-c2cnsc2)cc1N1CCCC1 1857682806 OCVIFHPDFWAVEU-UHFFFAOYSA-N 339.424 2.695 0 50 EFAA Cn1c(=O)c(-c2nccn2CC[C@@H]2CCCCN2)cc2ccccc21 1857689457 QENRLKVJRFWUQK-INIZCTEOSA-N 336.439 2.934 0 50 EFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 1875246989 OVISNTHKEZXIGE-PWSUYJOCSA-N 344.242 2.788 0 50 EFAA Cc1cc(C)n([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)n1 298177 JPKOBWNYPRDPHI-CYBMUJFWSA-N 348.200 2.767 0 50 EFAA CC(C)(CNC(=O)C1CCNCC1)c1ccccc1Br 225485194 XRYFFHDTJVTVES-UHFFFAOYSA-N 339.277 2.843 0 50 EFAA CC1(C)[C@H](NC(=O)NCCc2cccc3cccnc23)[C@@H]2CCO[C@H]21 230084928 DOYAQSPZPDAAGA-CGTJXYLNSA-N 339.439 2.890 0 50 EFAA Cn1ccnc1COCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 646644384 SSJGFWJKJAQFOL-OAHLLOKOSA-N 333.819 2.954 0 50 EFAA O=C1CC[C@@H]2CN(c3ccncc3)CC[C@@H]2N1CCc1ccccn1 248009623 VFYYXXFEQPGWLK-APWZRJJASA-N 336.439 2.537 0 50 EFAA C[C@@H](NC(=O)NCc1ccc(COC2CCOCC2)cc1)C1CC1 252552456 USQXZLODRWIGAH-CQSZACIVSA-N 332.444 2.980 0 50 EFAA COC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C1CC1 151867449 CKIZGXRTANASIG-KRWDZBQOSA-N 325.412 2.905 0 50 EFAA O=C(CCc1nnc(-c2cc3ccccc3[nH]2)o1)N1CCCCO1 23128840 SGOBLCHFYMBDMX-UHFFFAOYSA-N 326.356 2.705 0 50 EFAA COC(=O)[C@H]1CCn2c(nnc2-c2cccc(C(F)(F)F)c2)C1 260345433 MHMMOEBHVNMJTP-JTQLQIEISA-N 325.290 2.699 0 50 EFAA Cc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1-c1ncco1 164681078 MYYRYKBSHIQYOW-CQSZACIVSA-N 336.413 2.961 0 50 EFAA CCC[C@]1(CO)CCCN1C(=O)c1ccn(-c2cc(F)cc(F)c2)n1 907770765 FJYQJRBWQJOQQB-GOSISDBHSA-N 349.381 2.918 0 50 EFAA 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344.390 2.893 0 50 EFAA CCC[C@H](NCc1cccn1C)C(=O)N1CCc2sccc2C1 118998301 ZPBNPDWLFUGUCR-INIZCTEOSA-N 331.485 2.930 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCCN2C[C@@H](O)COCc2ccco2)n1 229554553 ZFSSAXVYZJQWDF-ZWKOTPCHSA-N 347.459 2.525 0 50 EFAA CCN(C)[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccccc1 229562119 MGMGWJDIRZFJIZ-MSOLQXFVSA-N 326.444 2.740 0 50 EFAA O=C(NC[C@H]1CCSC1)N1CCC[C@@H](Oc2ncccc2F)C1 253426207 GCPSAMWWEKPESO-CHWSQXEVSA-N 339.436 2.527 0 50 EFAA COc1cc(OC)cc(N2CC[C@H](NC(=O)N(C)CC(C)C)C2)c1 481820854 ZEHCPFPGLRSOJX-AWEZNQCLSA-N 335.448 2.580 0 50 EFAA Cn1nc(C(F)(F)F)cc1C(=O)NC1C2CC3CC(C2)CC1C3 2764143 MPHJFQWIWJSLQS-UHFFFAOYSA-N 327.350 2.993 0 50 EFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1coc(-c2ccccc2)n1 362254875 WPTOKRFLVHDWAM-KRWDZBQOSA-N 347.374 2.659 0 50 EFAA CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 173301979 DJPPPCYZHSBUNM-CHWSQXEVSA-N 343.876 2.773 0 50 EFAA CCc1nnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1 328649379 VBUIJHYECSLBDN-SNVBAGLBSA-N 343.353 2.542 0 50 EFAA CN1CCC(CN(CCc2ccccc2)Cc2nccn2C)CC1 11664048 AYYKIERAIITJLZ-UHFFFAOYSA-N 326.488 2.807 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)N[C@@H]3CCCCNC3=O)c2c1 77439433 HMVTUIRBUKIZQD-QGZVFWFLSA-N 325.412 2.504 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCC[C@@]1(CO)Cc1ccccc1 372770607 SPGDQFXODBQBMA-FQEVSTJZSA-N 335.407 2.544 0 50 EFAA C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(O)nn1 375791514 YLUXSIZSMAFUAJ-IRWQIABSSA-N 345.418 2.746 0 50 EFAA O=C(Nc1nnc(C2CCOCC2)s1)N[C@@H]1CCCC(F)(F)C1 333520819 NWIUPLLLRBIHLU-SNVBAGLBSA-N 346.403 3.132 0 50 EFAA COc1cc(CN[C@H](c2nccn2C)C2CCOCC2)cc(OC)c1 284705917 KEXPEHJYWNILOG-SFHVURJKSA-N 345.443 2.695 0 50 EFAA Cc1ccc2nc(CCN3CCO[C@H](C(F)(F)F)C3)[nH]c2c1C 71754277 LROIVYPMGSTHJM-ZDUSSCGKSA-N 327.350 2.985 0 50 EFAA COc1ccccc1OC1CCN(C(=O)c2nn(C)cc2Cl)CC1 77541296 QEBDZVUQIDAQOW-UHFFFAOYSA-N 349.818 2.766 0 50 EFAA c1cc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)ccc1CNC1CC1 72422507 DBUKLLUQUAUCRZ-LEWJYISDSA-N 344.499 2.751 0 50 EFAA CC(C)(C)C(=O)Nc1cnn(CC(=O)N2CCc3sccc3C2)c1 174590025 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2.564 0 50 EFAA Cc1ccoc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 192218361 LYHJVLFMPNTIRV-KRWDZBQOSA-N 328.412 2.609 0 50 EFAA NCCOc1ccc(CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 426530660 XXGWRKXASOWWKO-OQSMONGASA-N 328.456 2.604 0 50 EFAA CN1CC[C@H](N(C)Cc2ccccc2OCCN2CCCCC2)C1 230478034 XOROPVPVERVJDI-IBGZPJMESA-N 331.504 2.687 0 50 EFAA CCc1nc(N)nc(NCc2ccccc2CN2CCCC2=O)c1C 95384932 YVLKLCCMLZWMKK-UHFFFAOYSA-N 339.443 2.664 0 50 EFAA Cc1ccnc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 95518841 ZPMLLYHFLXMGTO-INIZCTEOSA-N 334.427 2.809 0 50 EFAA O=C(Nc1cccc2nsnc12)N1CCC[C@@H](c2ccncn2)C1 96161979 YTXPMYKVXLVSNF-LLVKDONJSA-N 340.412 2.893 0 50 EFAA CCC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C[C@H]1C(=O)O 97155730 ZZDTVVSADSXGFI-HUUCEWRRSA-N 341.411 2.958 0 50 EFAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N(C)Cc1ccoc1 95522666 BFIPREKLDVIASQ-UHFFFAOYSA-N 330.409 2.685 0 50 EFAA Cc1noc(C2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)n1 181855636 DQEFHNJMRMZIAU-ZDUSSCGKSA-N 336.436 2.613 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 252552053 UMXZAZLPJZVLSR-FHSNZYRGSA-N 345.420 2.648 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(O)cc1 253409871 MONBEVOQWSDMAS-INIZCTEOSA-N 342.395 2.602 0 50 EFAA Cc1c(C(=O)O)sc2ncnc(-c3ccc(S(C)(=O)=O)cc3)c12 534581026 PTKMRLMCMLFZGA-UHFFFAOYSA-N 348.405 2.768 0 50 EFAA c1ncc(-c2nc(-c3ccsc3)no2)c(N2CCSCC2)n1 263617705 PFESRZBOPPMFBP-UHFFFAOYSA-N 331.426 2.808 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccnn2-c2ccccc2)CC1 369100119 MWKWSZZSINETGH-GOSISDBHSA-N 337.427 2.541 0 50 EFAA CCOc1ccc(NC(=O)NC[C@H]2COCCO2)cc1C(F)(F)F 299792123 FEKMYGDKLIHPER-NSHDSACASA-N 348.321 2.641 0 50 EFAA COc1ccc(OC)c2nc(N(C)C)c(CNC[C@@H]3CCCO3)cc12 299780824 BOWIPTDHULRWGR-AWEZNQCLSA-N 345.443 2.587 0 50 EFAA Cn1nccc1CCC(=O)NCC1CCN(C[C@H]2CC=CCC2)CC1 827822421 KDSOAVBBYJOVGQ-SFHVURJKSA-N 344.503 2.537 0 50 EFAA CC(C)(O)c1cncc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)c1 584887098 UUTQNTSRXGICPS-SFHVURJKSA-N 340.423 2.573 0 50 EFAA CCCCN(Cc1sccc1C)C(=O)N[C@H]1COC[C@@H]1OC 584894659 HOJODPLACOUCKB-KBPBESRZSA-N 326.462 2.782 0 50 EFAA C[C@H](NC(=O)CN1CCCCCC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670471471 UOQCPOJHMJCXMD-OMYJOFGJSA-N 334.504 2.698 0 50 EFAA CCCn1cc(S(=O)(=O)NC[C@]2(c3ccccc3)CC2(C)C)cn1 670447613 YKMFGAGODSBKJC-SFHVURJKSA-N 347.484 2.939 0 50 EFAA c1cc(-n2nccc2CNC[C@H]2CCCC23CCOCC3)ccn1 1875284354 WIDNUMCWSFGRCX-MRXNPFEDSA-N 326.444 2.954 0 50 EFAA Oc1nc(O)c2c(n1)CN(CCn1ccc3cc(Cl)ccc31)C2 1875299638 QKYBVDBEBWHSMH-UHFFFAOYSA-N 330.775 2.512 0 50 EFAA C[C@H](CC(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1)N1CCCC1=O 1875299404 JQFNPEPAZYFPEF-ZIAGYGMSSA-N 348.418 2.638 0 50 EFAA CCn1ccc(=O)c(NC(=O)N2CC[C@@H](Cc3ccccc3O)C2)c1 1875321740 TXMWJTONOARTAF-AWEZNQCLSA-N 341.411 2.670 0 50 EFAA C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCCC3(CC3)C2)C[C@@H](C)O1 1875319964 AILUMWQBXMSMER-IXDOHACOSA-N 337.508 2.755 0 50 EFAA COc1ccc(CNC(=O)Cc2nc3ccccc3o2)cc1OC 952971915 YRUKKEAZLAPNFX-UHFFFAOYSA-N 326.352 2.704 0 50 EFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952970943 BQRPFJIQWRXYLB-MDBPOYHNSA-N 345.874 2.763 0 50 EFAA COc1nc(NC[C@@H]2CCCN(CCc3ccccc3)C2)ncc1F 952984157 OOPFEHVDDLKMPM-INIZCTEOSA-N 344.434 2.991 0 50 EFAA CCn1c(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)nc2c(F)cccc21 888079341 YJXXUKWCILPSJS-IUODEOHRSA-N 343.406 2.880 0 50 EFAA FC(F)(F)c1ccc(N2CCN(Cc3nc[nH]n3)CC2)c(Cl)c1 888101344 LHYBTTWZGKHHSX-UHFFFAOYSA-N 345.756 2.799 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)N3CCCSC[C@@H]3C)sc2n1 889921498 AENPPAOZFURFIK-QMMMGPOBSA-N 336.486 2.858 0 50 EFAA CCc1csc([C@H]2CCCN(c3ccnc(C(=O)NC)c3)C2)n1 892191131 HBIQKUUFANQLPY-LBPRGKRZSA-N 330.457 2.844 0 50 EFAA CC(C)(CF)NC(=O)c1cnnn1-c1ccccc1Br 1774965327 PHCVDBWJFDXRTN-UHFFFAOYSA-N 341.184 2.508 0 50 EFAA CCCCOc1ccc([C@@H](C)NC(=O)c2cc(O)nn2C)cc1OC 1775990152 DDJYAQARLWSMTC-GFCCVEGCSA-N 347.415 2.804 0 50 EFAA COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1 1565517137 WOGYNGZNZOHURL-OALUTQOASA-N 341.407 2.799 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3cc4ccccc4nc3O)O2)n1 275359363 VIFJLQLBMZADJP-ZBFHGGJFSA-N 340.383 2.642 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)c(C)o1 275795085 ZOFAPVREFFWPLW-AWEZNQCLSA-N 329.400 2.651 0 50 EFAA Cc1csc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 170602268 IQQMGLOKWVSNIZ-UHFFFAOYSA-N 332.410 2.709 0 50 EFAA CN1C(=O)CN(C(=O)CCCOc2ccccc2)[C@@H]1c1ccccc1 170606153 BAWYLRWITVZNOB-HXUWFJFHSA-N 338.407 2.845 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2c(C)n[nH]c2n1 281867742 DQNBLHSXYGGWGM-BMFZPTHFSA-N 342.443 2.730 0 50 EFAA CN(C)[C@@H]1CCOc2c(NCc3cc4c(cn3)OCCO4)cccc21 639116150 SBMCJAWBQRXSDF-MRXNPFEDSA-N 341.411 2.850 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 190567156 RAFSJNZTCIPRAJ-AWEZNQCLSA-N 348.472 2.650 0 50 EFAA COc1ccc2c(c1F)CC[C@H]2NC[C@@H]1CCO[C@H]1c1cnn(C)c1 414262867 DGMWFLRJGZMOKY-JOKNJTHLSA-N 345.418 2.923 0 50 EFAA CO[C@H](C)CS(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 193343636 IKEKGZWCTPJDRZ-SECBINFHSA-N 346.355 2.613 0 50 EFAA CCCOc1ccc(/C=C/C(=O)N2CCOC[C@]23CCOC3)cc1 194413161 QGSSGYZOPUYURK-MTCRFPMVSA-N 331.412 2.507 0 50 EFAA CCn1c([C@@H]2CCCN2C(=O)Cc2cnn(C)c2)nc2ccccc21 195409233 MZNHBHHZMGWQNQ-KRWDZBQOSA-N 337.427 2.696 0 50 EFAA CC(C)(C)n1cnc(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)n1 654037791 WXYGJEGBOLHHPE-ZJUUUORDSA-N 349.357 2.655 0 50 EFAA OC[C@H]1OCCN(Cc2ccc3c(c2)CCO3)[C@@H]1c1ccccc1 1529141842 QOJMTHZJVCQPKE-WOJBJXKFSA-N 325.408 2.556 0 50 EFAA O=C(NCc1ccc(F)c(F)c1)c1cn(CCc2ccccc2)nn1 12225884 CZCCYNTVTJZVMX-UHFFFAOYSA-N 342.349 2.729 0 50 EFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 13745792 FPTSTPNGCLTGFL-CZUORRHYSA-N 336.457 2.702 0 50 EFAA OCc1ccc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)o1 15079059 HYIHBFRALXGACR-KRWDZBQOSA-N 336.395 2.791 0 50 EFAA CCCOc1cc(S(=O)(=O)n2ccnc2)ccc1Br 16626494 KUSPHWNBUVCKIA-UHFFFAOYSA-N 345.218 2.671 0 50 EFAA CC[C@@H]1c2cccn2CCN1C(=O)c1cc(C)nc2c1c(C)nn2C 151324175 XCJPBSWBBAYNME-OAHLLOKOSA-N 337.427 2.994 0 50 EFAA Cc1cc(Cl)ccc1C(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857737639 WJZQSQRAWPFTPD-DODZYUBVSA-N 348.874 2.830 0 50 EFAA Cc1nc([C@H]2CCN(C(=O)c3csc(Br)c3)C2)n[nH]1 333988718 IJZLMCOGCLKVGI-QMMMGPOBSA-N 341.234 2.567 0 50 EFAA CNC(=O)c1cccnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 301695549 ZQQLXJKFOFTUCD-INIZCTEOSA-N 344.503 2.922 0 50 EFAA Cc1ccc(N2CCC[C@H](NC(=O)c3conc3C3CC3)C2=O)cc1 225560567 XAESEQVFUXSHSB-INIZCTEOSA-N 339.395 2.786 0 50 EFAA COC[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(Cl)cc1 240412878 FOMPVXQJHNDITQ-DOTOQJQBSA-N 340.851 2.974 0 50 EFAA CC(=O)Nc1on[n+](C(C)C)c1[C@H](O)c1ccc(C(F)(F)F)cc1 22865160 VCDXOQRAEHEDJO-CYBMUJFWSA-O 344.313 2.602 0 50 EFAA in-vitro CC(C)(C)c1nnc(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)s1 365585240 GZMYLFSUSPMZNI-NWDGAFQWSA-N 338.477 2.592 0 50 EFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 262126803 LXIWSELRFLLHRP-RBSFLKMASA-N 329.421 2.972 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O 263426076 JRTRWNQJKXLVST-CQSZACIVSA-N 328.368 2.628 0 50 EFAA CC(C)c1ccc(Cn2nccc2N2C(=O)[C@H]3CCCN3C2=O)cc1 900212951 AEAFMENVYKPCEU-MRXNPFEDSA-N 338.411 2.986 0 50 EFAA COCc1ccc([C@H]2COCCN2Cc2cc(C(=O)O)cs2)o1 903630474 CLWGSQNQZNFTDE-CQSZACIVSA-N 337.397 2.759 0 50 EFAA CC[C@@H]1c2ccccc2CN1C(=O)Nc1cnc(OC)c(C(N)=O)c1 930397462 RNOZSMMQXSDYGZ-OAHLLOKOSA-N 340.383 2.688 0 50 EFAA Cc1nc([C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C2)no1 930768093 KAKBYEAIGXCCTM-CYBMUJFWSA-N 327.388 2.673 0 50 EFAA O=C(c1ccco1)N1CCN(c2ncnc3c2oc2ccccc23)CC1 4196831 ILEDZYXJXOGIJS-UHFFFAOYSA-N 348.362 2.931 0 50 EFAA Cc1ccc(-c2noc(=NC3CCC(N4CCCC4=O)CC3)[nH]2)cc1 2325775671 ZRFNMNUVBIWMGC-UHFFFAOYSA-N 340.427 2.812 0 50 EFAA CN1CCN(c2cccc(-c3ncccn3)n2)C[C@H]1Cc1ccccc1 2325802329 ADDDYPVWNLOFSU-GOSISDBHSA-N 345.450 2.902 0 50 EFAA Cc1cc2c(cc1C)[C@H](C(=O)NCC1CC(O)(C(F)(F)F)C1)CO2 2325804159 XMDRVTTYZOYATF-RYCVTPFZSA-N 343.345 2.599 0 50 EFAA COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CC[C@H](C)C2 214353 YCLHIPIWFPRLJM-VIFPVBQESA-N 339.413 2.853 0 50 EFAA COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)CC2=O 236293 AFRKOYFFPJYBHL-ZDUSSCGKSA-N 332.230 2.666 0 50 EFAA biogenic COc1ccc(OC)c(NC(=S)NCc2ccc3c(c2)OCO3)c1 306308 ZARCIYCRCQWKAE-UHFFFAOYSA-N 346.408 2.919 0 50 EFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 1050975 AYNKXYIBBKUWCC-UHFFFAOYSA-N 339.461 2.828 0 50 EFAA O=C(CCc1ccccc1)NC(=S)Nc1cccc(C(=O)O)c1 1126123 CRBHSIPIXSOHGB-UHFFFAOYSA-N 328.393 2.831 0 50 EFAA O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(OC(F)F)cc1 1811910 VACSHBJEMOFVQS-UHFFFAOYSA-N 330.294 2.824 0 50 EFAA COc1cc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)cc2c1OCO2 2356143823 AAGLOVCNULWBNV-LJQANCHMSA-N 341.411 2.627 0 50 EFAA O=C(CN1CCc2ccccc2CC1)Nc1nnc(C2CCC2)s1 2356147491 YNDMPWBXHROTTC-UHFFFAOYSA-N 342.468 2.845 0 50 EFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccccc1Br 2674943 CYLWWMYXPYMYDC-MRVPVSSYSA-N 347.423 2.868 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(c2ncncc2F)CC1 2356155992 QRJNLNQPDHHRDH-UHFFFAOYSA-N 329.375 2.693 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 2873591 AABYMRDVCPWHFG-UHFFFAOYSA-N 349.770 2.909 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)O 3849025 JJMTYWODYMZECG-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccccn2)cc1 4487334 OSFYWKJULMWTDG-UHFFFAOYSA-N 325.412 2.539 0 50 EFAA O=C(c1cccc(OCCOc2ccccc2)c1)N1CCOCC1 6744613 NODSGOWRJCWCMN-UHFFFAOYSA-N 327.380 2.617 0 50 EFAA CCNC(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C 7781908 LUQGFDJTBZKBFP-UHFFFAOYSA-N 348.403 2.694 0 50 EFAA CCC[C@H](C)c1nnc(NC(=O)c2cc(OC)nc(OC)n2)s1 55053205 RKRRBHFFNDANPQ-QMMMGPOBSA-N 337.405 2.501 0 50 EFAA COc1cccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)c1 8247164 ZSZHRWAFYAAKQZ-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA CCOC(=O)[C@H]1CCCCN1C(=O)COc1ccc(C(=O)CC)cc1 55401811 ZLRTZDUGFQRMNX-MRXNPFEDSA-N 347.411 2.602 0 50 EFAA COC[C@@H](C)N(Cc1ccccc1OC)C(=O)CCn1ccnc1C 55060996 CFMNRGISEFMXHQ-OAHLLOKOSA-N 345.443 2.654 0 50 EFAA Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 282142767 PZRLKCCLUWSOCN-XHSDSOJGSA-N 342.443 2.502 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)oc1C 9315740 HQPLJKGYRZAUGP-UHFFFAOYSA-N 333.340 2.953 0 50 EFAA O=C(NCc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426572 IOEDLKZLGBYZDR-QGZVFWFLSA-N 340.398 2.533 0 50 EFAA CCN(CC1CCOCC1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 55227748 QFVKHJUREXNNCX-QGZVFWFLSA-N 334.460 2.767 0 50 EFAA CN(C(=O)c1ccc(NCc2ccncc2)cc1)C1CCOCC1 20136554 TYLGTLXWVMBIAY-UHFFFAOYSA-N 325.412 2.945 0 50 EFAA CCOc1ccccc1CCCNc1nc(C)nc2c1CCNC2 67691293 RENNFPVTAWOCOG-UHFFFAOYSA-N 326.444 2.874 0 50 EFAA COc1cc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)ccc1F 20780203 TZIKDJSMOFUICX-KRWDZBQOSA-N 338.467 2.749 0 50 EFAA CC[C@H](CNC1CCN(c2ccccc2C)CC1)N1CCN(C)CC1 67866792 UWZKDDKKXYMKBN-HXUWFJFHSA-N 344.547 2.579 0 50 EFAA C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](O)c1ccc(F)cc1 252486414 JWZYFKUEHVZLJD-RCBQFDQVSA-N 338.423 2.847 0 50 EFAA CNC(=O)Cc1ccc(-c2noc(C3(CCOC)CCCC3)n2)cc1 424231960 CSFVVWVUDFAURE-UHFFFAOYSA-N 343.427 2.873 0 50 EFAA C[C@@H]1CCN(C(=O)CCC(=O)c2cnn(C)c2)[C@H](c2ccco2)C1 253428543 JIEIAHAXLRBWIJ-HIFRSBDPSA-N 329.400 2.976 0 50 EFAA NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 152904829 DOXTWNSMSJCSKD-QEORTHHSSA-N 342.345 2.512 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCc2ccccc2O1 219742954 HQJHGRQRSBUTTD-SFHVURJKSA-N 327.428 2.811 0 50 EFAA CC[C@@H](C)C(=O)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 71763656 GROYWRAWBJDFDD-SNVBAGLBSA-N 347.365 2.855 0 50 EFAA O[C@H](Cc1ccc2ccccc2c1)CN1CCC(n2cncn2)CC1 365319867 CXODUGUSXRHXGH-HXUWFJFHSA-N 336.439 2.672 0 50 EFAA CN(Cc1ccc2nonc2c1)C(=O)c1cccc(-n2cccn2)c1 77387854 MEQWHFRIZVCWSV-UHFFFAOYSA-N 333.351 2.681 0 50 EFAA Cc1ccccc1CN1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 328587025 ATKXMIGOYNVTRZ-FQEVSTJZSA-N 341.455 2.776 0 50 EFAA Cn1ncc2c(NCc3n[nH]c4c3CCC4)nc(C3CCCC3)nc21 72146773 LDRBRNQFWQOSKR-UHFFFAOYSA-N 337.431 2.845 0 50 EFAA CN(C)[C@H](C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1F 72434582 QOUJGOIAAUBGBI-INIZCTEOSA-N 330.407 2.558 0 50 EFAA O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@@H]1CCNC1 328654135 XGKBIKKQJAXWGH-CQSZACIVSA-N 331.366 2.612 0 50 EFAA CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cn1 72138988 DDXZQQWDXWINBR-MRXNPFEDSA-N 337.420 2.958 0 50 EFAA COc1ccccc1/C=C/CNC[C@@H]1CCO[C@H]1c1ccnn1C 328646542 SQXDSGKVNJUHQZ-LFSKPYRXSA-N 327.428 2.809 0 50 EFAA CC(C)(CN1CCOCC1)NC(=O)[C@@]1(c2ccccc2F)CC1(C)C 215866446 HMJUZJXGNPZJFG-FQEVSTJZSA-N 348.462 2.720 0 50 EFAA CCc1c(C)cc(C(=O)NCCSCc2ccccc2)c(=O)n1C 214948237 VFEHJYFGRKHZOJ-UHFFFAOYSA-N 344.480 2.919 0 50 EFAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1 329893338 JLOPFYHOHSQUOC-WBTNSWJXSA-N 333.476 2.803 0 50 EFAA C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1cnc2ccccn2c1=O 371012703 ZCDFGFJMWUJRHA-STQMWFEESA-N 339.420 2.774 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)ccc1OC1CCCC1 262041903 SCZAZZYJGJGJBQ-AWEZNQCLSA-N 347.411 2.953 0 50 EFAA CCc1c(C(=O)N2CCC(Cc3ncc[nH]3)CC2)[nH]c(C)c1C(C)=O 332126625 YFOJMRLOKXVCBE-UHFFFAOYSA-N 342.443 2.906 0 50 EFAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 493764480 XEQCLHOYCMZLAE-GFKCUXFZSA-N 326.444 2.823 0 50 EFAA CC(=O)Nc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088763 FWMFAMCPJCJEOC-UHFFFAOYSA-N 347.374 2.768 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)s1 215332281 UZCCOSRYDZWVMB-GFCCVEGCSA-N 349.481 2.856 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H](C)c1c(C)noc1C 237456924 RRRQEPVDADPBOO-JTQLQIEISA-N 332.356 2.805 0 50 EFAA Cc1nc([C@@H]2CCCN(CCc3cn[nH]c3)C2)cc(N2CCCC2)n1 72439441 KUSXSAIREMTAIJ-QGZVFWFLSA-N 340.475 2.530 0 50 EFAA N[C@@H]1CC[C@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 237953977 BSWAQCRXZPQKGO-DOTOQJQBSA-N 335.879 2.502 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1 238089113 OIUALOLHCPDERM-RDJZCZTQSA-N 325.364 2.740 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCN(Cc2ccccc2C)CC1 72458964 ZAMKZOGRFSPFBM-UHFFFAOYSA-N 344.484 2.554 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3C(=O)O)c(C)o2)cc1 159846273 OIHAIYYKOLQDSJ-CQSZACIVSA-N 344.367 2.738 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)n1 77407940 MZVCZXBGQIUWQG-CQSZACIVSA-N 331.391 2.973 0 50 EFAA c1cc(CN2CCOCC2)ccc1CN[C@@H]1CCCC12CCOCC2 337405915 UACYBRNIPCNGJC-HXUWFJFHSA-N 344.499 2.958 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)CCO1 241586440 OVZQFAGIHOXDPI-LZQZEXGQSA-N 328.456 2.502 0 50 EFAA CN(CC(=O)NCc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1F 223881328 ZQYFVUDEQSEGTC-UHFFFAOYSA-N 332.423 2.595 0 50 EFAA COCCN(C)c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cn1 289338459 HMVMVRQDAZWQIK-QGZVFWFLSA-N 329.448 2.615 0 50 EFAA O=C(c1ccoc1)N1CCC(N[C@@H]2COc3ccc(F)cc3C2)CC1 290484391 XLYTURLNUFJGDF-KRWDZBQOSA-N 344.386 2.617 0 50 EFAA Cc1cc2c(N3CCN(CCc4ccccn4)CC3)ncnc2s1 179500855 GQUYLPUXFUSKRQ-UHFFFAOYSA-N 339.468 2.759 0 50 EFAA Cc1cc(Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2C)on1 291971254 IEYBQEMHUMFQJB-UHFFFAOYSA-N 345.790 2.515 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cc1 20602052 CGXZZRMVWMYRJH-UHFFFAOYSA-N 348.255 2.856 0 50 EFAA COc1ccc2nc(N3CC(C)(C)O[C@@]4(CCOC4)C3)c(C)nc2c1 293196661 WVIQQCZZRVSJRT-IBGZPJMESA-N 343.427 2.721 0 50 EFAA Cc1c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)nnn1C(C)C 292437777 MWYWTUFUFJVOOX-AWEZNQCLSA-N 345.422 2.705 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)NCc1c[nH]nc1-c1ccc(F)cc1 426533992 GIXUPZBVNZRDKE-UHFFFAOYSA-N 349.369 2.951 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)n[nH]1 161532745 ZZNQYVCJLWKHFI-JTQLQIEISA-N 340.387 2.829 0 50 EFAA Cc1ncsc1CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 82092218 RHXRCTUEGQRHKV-IRXDYDNUSA-N 341.480 2.869 0 50 EFAA O=C(c1ccccc1-c1ccccc1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426362121 ZQTLPKURCJUJET-JSJNYSNDSA-N 337.419 2.557 0 50 EFAA O=C(CCc1ccncc1)N1CCC[C@H](OCc2cccnc2)C1 82114465 UWRNVTGYWIEXMS-SFHVURJKSA-N 325.412 2.617 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)CCC3)n[nH]1 161778222 QVXPZKGAFIEZDW-NSHDSACASA-N 326.400 2.990 0 50 EFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1ncc(C)[nH]1)CC2 426652862 IPWOHOSXXQWUCT-JTDSTZFVSA-N 342.443 2.704 0 50 EFAA COCc1nn(C)cc1C(=O)N(CCc1ccccc1)CC(C)C 294454997 RTQGPQGNTAPMHC-UHFFFAOYSA-N 329.444 2.907 0 50 EFAA COc1ccccc1-n1cc(C(=O)N(C)[C@@H](C)c2ccon2)cn1 91649969 WCSMTKLQJJSGDD-LBPRGKRZSA-N 326.356 2.702 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1CCCN(c2ncccn2)CC1 91645262 UBQHSWZGAZFQFX-UHFFFAOYSA-N 345.472 2.717 0 50 EFAA CC[C@H](O)Cn1nc(CC2CCN(C)CC2)nc1-c1ccccc1F 91350468 QBXJLAXDGXBYLY-HNNXBMFYSA-N 346.450 2.739 0 50 EFAA O=C(O)c1cnc(N2CCC(CCn3cccn3)CC2)c(Cl)c1 96166385 AXHYAKYVAHLRNV-UHFFFAOYSA-N 334.807 2.936 0 50 EFAA CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CCNC2)c1 236698478 MATCBEKGXUPSNU-SNVBAGLBSA-N 327.222 2.784 0 50 EFAA CCOc1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cn1 181253226 WKFWBTMKDBAXRH-UHFFFAOYSA-N 338.816 2.885 0 50 EFAA C[C@@H](CCc1ncnn1-c1ccc2ccccc2c1)N1CCN(C)CC1 95374470 ZNDJUYFAXKVZRL-KRWDZBQOSA-N 349.482 2.989 0 50 EFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cccc(-n3cnnc3)c2)c1C 91848734 YPPNYSJFGZNIKL-GFCCVEGCSA-N 338.415 2.592 0 50 EFAA COc1ccc2nc(CNC(=O)[C@@H](C)n3ccnc3C(C)C)[nH]c2c1 95391224 NPXSAQHVTJLJRB-GFCCVEGCSA-N 341.415 2.769 0 50 EFAA COCC[C@]1(O)CCN(CC2=Cc3cccc(OC)c3OC2)C[C@H]1C 91434863 QHYYHVPYFHBXRR-FOIQADDNSA-N 347.455 2.580 0 50 EFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 91563256 HKOMUHIZIRYFPF-AWEZNQCLSA-N 348.472 2.623 0 50 EFAA CCN1C[C@@H](C(=O)NCCCSCc2cccc(C)c2)CC1=O 95382415 ROTGSDUFYDWPPO-INIZCTEOSA-N 334.485 2.603 0 50 EFAA O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@H]2CCCC[C@H]2C1 182098836 IJTCHVSQUNWYAQ-PHIMTYICSA-N 334.363 2.911 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)Nc2ccc(-n3cccn3)nc2)n1 183979443 ZPYICGFSSMOWES-NSHDSACASA-N 342.428 2.957 0 50 EFAA CC(=O)[C@@H]1CC[C@@H]2[C@]34CC[C@@]5(O)C[C@H](O)CC[C@@]5(CO3)[C@@H]4CC[C@@]21C 253595928 LBXLCHLTYHVXJM-LEFPEGQHSA-N 348.483 2.843 0 50 EFAA CC(C)c1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)n[nH]1 42995739 FGANKNDRFDJEHC-GOSISDBHSA-N 334.508 2.734 0 50 EFAA CCn1ncc(Cn2cnc3cccc(C(F)(F)F)c3c2=O)c1C 584891106 CAVNRDQZJFOXGX-UHFFFAOYSA-N 336.317 2.988 0 50 EFAA C1CCc2c(nnn2CCN[C@H]2CCC[C@H](C3CCOCC3)C2)C1 1875404780 USFBVQOUHHYYDF-IRXDYDNUSA-N 332.492 2.732 0 50 EFAA CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)N[C@H]2CC=CCC2)C1 952890892 MIYUEZGHVJYKMV-AWEZNQCLSA-N 339.399 2.523 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccncc2)CN(Cc2cnns2)C1 952892208 LJZKTPOAKXEMEB-UHFFFAOYSA-N 340.456 2.703 0 50 EFAA Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H](C)C(=O)O 1875266699 YDPURBKTHZDIBF-GFCCVEGCSA-N 332.400 2.717 0 50 EFAA COc1cc(F)ccc1NC(=O)N1CCN(c2ccncc2)[C@H](C)C1 878168822 HYZGVPBOUIGJIF-CYBMUJFWSA-N 344.390 2.972 0 50 EFAA O=C1COc2cc(C(=O)Nc3cccc(-c4cnc[nH]4)c3)ccc2N1 952976387 RTRIXOVLYAOATJ-UHFFFAOYSA-N 334.335 2.660 0 50 EFAA O=C(CCCCCn1cnnn1)Nc1nnc(C2CCCCC2)s1 888103978 PZFWTFIMBNMPLW-UHFFFAOYSA-N 349.464 2.771 0 50 EFAA CCn1ncnc1-c1ccc(C(=O)N2CCOC[C@H]2CC2CC2)cc1 886474805 YVRDODLHPIZMAT-QGZVFWFLSA-N 340.427 2.606 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 1775959079 FHPHOYPYPZDONV-OXGONZEZSA-N 347.459 2.873 0 50 EFAA Cc1c(C(=O)N2CC(C)(C)[C@@H]2C(C)C)sc2ncn(C)c(=O)c12 1775986335 IAGYAUFFDLJMMJ-ZDUSSCGKSA-N 333.457 2.810 0 50 EFAA CN(CC[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)Cc1nc[nH]n1 1775987415 SKCAUOXXVBDLER-CYBMUJFWSA-N 339.484 2.956 0 50 EFAA COc1ccc(Nc2cc(NC[C@H](C)CCO)ncn2)c(OC)c1 272738678 CKOBHZKXFDJPCU-GFCCVEGCSA-N 332.404 2.668 0 50 EFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1ccn(C)c1 275487373 OISCBARPGZGFOI-HOTGVXAUSA-N 336.480 2.834 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1CCCN1CC[S@@](=O)c1ccccc1 205250392 QXDXQVSBQNUCRS-UZUQRXQVSA-N 331.485 2.982 0 50 EFAA COc1cccc(-c2nnc(NCc3c(C)noc3C)o2)c1OC 170595000 CFVRNIHNPBEBDY-UHFFFAOYSA-N 330.344 2.971 0 50 EFAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H](O)C1 170606473 YCRIAUDPRLDZKH-HOCLYGCPSA-N 328.416 2.789 0 50 EFAA O=C1[C@H]2CCC[C@H]2N1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 170650410 LCTSHROMAGXMNJ-DTWKUNHWSA-N 330.272 2.772 0 50 EFAA O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(CCn2ccnc2)C1 280530650 SJCAGUWYQFZMOC-SWLSCSKDSA-N 325.334 2.710 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@H]1CCCN(c2cccnn2)C1 281184238 HUSWJCMGCNBQNC-LBPRGKRZSA-N 346.431 2.736 0 50 EFAA C[C@@H](NC(=O)N(C)Cc1cnc(N(C)C)nc1)[C@@H]1C[C@H]2CC[C@H]1C2 110712095 SHCBCTJANCVSJC-VRKREXBASA-N 331.464 2.509 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 225559689 YZMLSSVCNRPXRF-MNOVXSKESA-N 341.238 2.834 0 50 EFAA O=C(Nc1cc(-c2ccccc2F)on1)[C@@H]1C[C@H]1C1CCOCC1 640237353 KZMBZQRIYKXFRF-UONOGXRCSA-N 330.359 3.482 0 50 EFAA COc1ccnc(CN2C[C@H](C)C(=O)Nc3ccccc32)c1OC 190891077 QRTGWERXQQVWSJ-LBPRGKRZSA-N 327.384 2.694 0 50 EFAA Cn1cc(CNC(=O)Nc2c(F)cc(F)cc2Br)cn1 190813104 YEIYGORCVCTFEJ-UHFFFAOYSA-N 345.147 2.783 0 50 EFAA CCOc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)n1 644008174 AFMSUFLABZAGLR-UHFFFAOYSA-N 337.738 2.850 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)O 746368050 RNVCYJVZLHEVCS-IJQVFZPHSA-N 345.374 2.526 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCO[C@@H](c2ccsc2)C1 194836906 CSKIVGWBECTQEK-QGZVFWFLSA-N 343.452 2.957 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN1CCOc1ccccc1C(F)(F)F 195222533 XODJZXGUCMSGKF-CQSZACIVSA-N 342.361 2.827 0 50 EFAA Cc1ccc([C@@H](C)C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cc1 195570115 LLCAEIPKFGJAQD-CQSZACIVSA-N 325.474 2.770 0 50 EFAA Cc1ccc(Cn2cc(CN3CCN(c4ccccc4)CC3)nn2)o1 656447001 DBTYJSCOHIUMHW-UHFFFAOYSA-N 337.427 2.550 0 50 EFAA Cc1cccc(C[C@H](C)NC2CCN(C(=O)c3cccnc3)CC2)n1 1506419444 CCVACXYYVUMDOZ-INIZCTEOSA-N 338.455 2.610 0 50 EFAA Fc1ccc(N2CCC(N3CCC(c4nc[nH]n4)CC3)CC2)cc1F 1506416098 UEKLWSCEFQSSNR-UHFFFAOYSA-N 347.413 2.931 0 50 EFAA O=C(c1cccnc1)N1CCC(NCCCC[C@@H]2CCCO2)CC1 1506419740 WGPYJMWPWMUZOB-GOSISDBHSA-N 331.460 2.625 0 50 EFAA Cc1ccc2nc(CN(C)CC(=O)Nc3ccc(Cl)cn3)[nH]c2c1 1529107225 XRAHNYYWHQCUCI-UHFFFAOYSA-N 343.818 2.990 0 50 EFAA COc1cc(-c2onc(N[C@H](C)C(C)(C)O)c2C(=O)O)ccc1F 1704302632 AAQINRUSCRMDDZ-MRVPVSSYSA-N 338.335 2.759 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 225950052 SEVKRMBSFIIREU-JTQLQIEISA-N 332.581 2.792 0 50 EFAA CN(Cc1ncon1)C(=O)c1cc(Cl)cc(F)c1Br 252509814 YWEVEZBLUKKLRL-UHFFFAOYSA-N 348.559 2.897 0 50 EFAA O=C1C[C@@H](NCc2cccc3c2OCO3)CN1C1CCCCCC1 12053551 MXCDFJFLRZGYBQ-OAHLLOKOSA-N 330.428 2.829 0 50 EFAA CCCN1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccc2)CC1 12456387 VQHOOZJRDZYEHG-LJQANCHMSA-N 341.499 2.847 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 19773693 GAFOVUXWPBHEDG-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccsc1 223209833 ATIBISZIAIHUNC-ZOBUZTSGSA-N 329.421 2.925 0 50 EFAA Cc1c(Br)cccc1CCNC(=O)[C@H]1C[C@@H]1c1cnc[nH]1 1857530766 KOUURQAMMCCCPZ-STQMWFEESA-N 348.244 2.943 0 50 EFAA CCc1nccc(-c2nccn2Cc2nc(C)c3c(n2)CCCC3)n1 1857730868 ASTYGWXQYJLOIZ-UHFFFAOYSA-N 334.427 2.928 0 50 EFAA CN(C)C[C@H]1[C@H]2CN(Cc3ccc4ncccc4c3)C[C@]23CC[C@H]1O3 1875250892 OXOSFCOKARLKTL-UYWIDEMCSA-N 337.467 2.776 0 50 EFAA Cc1ccc2cccnc2c1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646035711 RRJUPEURKDZYJM-CQSZACIVSA-N 348.424 2.561 0 50 EFAA Cc1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)n1 343556639 NNRYJSVNEGFBIP-LLVKDONJSA-N 325.338 2.921 0 50 EFAA CCCN(C)S(=O)(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 249130901 UUYBEUQYXHVMCJ-GFCCVEGCSA-N 332.416 2.731 0 50 EFAA CN[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 150991313 YSQPVFFBMUGLEM-INIZCTEOSA-N 336.863 2.599 0 50 EFAA COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 22005885 ZPXRQFLATDNYSS-BJMVGYQFSA-N 334.368 2.822 0 50 EFAA in-vitro O=C(O)CN(Cc1ccccc1)C(=O)c1cccc([C@H]2CCOC2)c1 263357058 SCYWGTIMZJVBEN-SFHVURJKSA-N 339.391 2.918 0 50 EFAA O=C(NCCCNc1ccccc1)Nc1ccnn1-c1ccccn1 1671647451 OKCVFLWLKWXSBF-UHFFFAOYSA-N 336.399 2.891 0 50 EFAA COCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339868 PBVXJCXJCYQMNQ-HXUWFJFHSA-N 337.423 2.596 0 50 EFAA Cc1ncc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)o1 930902214 RVUNJTNZNALZPU-GFCCVEGCSA-N 338.205 2.794 0 50 EFAA Cc1[nH]c2ncnc(N3C[C@@]45CCCC[C@]4(CN(C)C5)C3)c2c1C 2325775527 BZDWSIOQUYZONW-OALUTQOASA-N 325.460 2.887 0 50 EFAA CN(C(=O)CN1CCNC[C@H]1c1cccc(Cl)c1)C1CCCC1 2325850183 OKIPSHJGMCUXFP-KRWDZBQOSA-N 335.879 2.687 0 50 EFAA Cc1ccc(Oc2ccc(NC(=O)c3c(CN)cnn3C)cc2)cn1 2325856920 IIDAAOIUNANYPZ-UHFFFAOYSA-N 337.383 2.627 0 50 EFAA C[C@@H]1C[C@@H]1c1nnc2ccc(Oc3ccc4c(=O)cc[nH]c4c3)nn12 2325869193 BUDJNKNWOHYATM-MFKMUULPSA-N 333.351 2.882 0 50 EFAA CC(C)[C@H](N)N[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 1857800335 BJBULGJIEYNZNN-PWSUYJOCSA-N 338.666 2.643 0 50 EFAA NC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 269378 WSPCGMYOAYOFMJ-UHFFFAOYSA-N 326.849 2.546 0 50 EFAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 588310 PFRVVXLDFXJAPG-UHFFFAOYSA-N 331.460 2.976 0 50 EFAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(O)cc3)c2C(N)=O)C1 1788413 TWMFMKAMCVYZAC-VIFPVBQESA-N 330.409 2.930 0 50 EFAA CN(C)c1ccc(-c2ccnc(NC[C@H](O)c3cccnc3)n2)cc1 2356147433 WHRIIDNNPDIZKZ-SFHVURJKSA-N 335.411 2.750 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2c(CC)noc2C)C1=O 2356148278 OMXUICSGOBBXAM-SFHVURJKSA-N 333.432 2.553 0 50 EFAA COc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)cc1OC 6678009 LZJRYBMIPQFECO-UHFFFAOYSA-N 339.351 2.684 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2nc(-c3ccco3)no2)c1 225729164 QBSZJGSZVCDFKJ-ZFWWWQNUSA-N 341.367 2.646 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCO[C@@H](CC3CCCCC3)C2)nc1 20599929 GGYKHFWZAVLAQY-INIZCTEOSA-N 346.427 2.680 0 50 EFAA O=C(NCc1ccco1)[C@@H]1[C@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@H]21 102111441 HZGRLRZQXHYMMD-DZFIZOCASA-N 335.407 2.755 0 50 EFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCOC2(CCOCC2)C1 119424820 XTMSNCCYAUJJRN-UHFFFAOYSA-N 344.386 2.704 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 348259633 MFEDTLQPKKGHGZ-APPDUMDISA-N 343.333 2.789 0 50 EFAA CCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)c1 65384602 UTOHDQXNYZRCPT-UHFFFAOYSA-N 325.412 2.535 0 50 EFAA Cc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)o1 23360096 QCWMMYCEMIGDCY-SFHVURJKSA-N 332.419 2.796 0 50 EFAA NC(=O)c1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 120327672 SHKMSMMHBWSQQK-KRWDZBQOSA-N 347.422 2.908 0 50 EFAA CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(Cl)cn2)C1 122259534 UTKZNALIAVYBKC-NSHDSACASA-N 334.811 2.758 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cnn(C(C)(C)C)c2)c1 282496287 MWINWANSLJJYDC-WBVHZDCISA-N 343.427 2.595 0 50 EFAA CN(CC[C@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328638108 OWPQITNISFYZFX-KKUMJFAQSA-N 340.464 2.546 0 50 EFAA CC1=CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 253425355 CTMUUGWATWGROC-INIZCTEOSA-N 330.403 2.857 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3ccc(Cl)cn3)CC2)nc1 67855590 QODLQXWVWHCVDU-UHFFFAOYSA-N 331.803 2.562 0 50 EFAA C[C@@H]1C[C@@H](N2CCCC2)CN1[C@H](C)c1nnnn1C1CCCCC1 329206454 YEBDBACAYPOXIF-BFYDXBDKSA-N 332.496 2.798 0 50 EFAA CN1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1=O 152687531 WRLYCEMJKASLDN-UHFFFAOYSA-N 347.418 2.604 0 50 EFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@H]([C@H](C)N)C2)c(OC)c1 237095173 GYLGULKUFJINOA-CXFYGJIZSA-N 332.444 2.693 0 50 EFAA CC1(C)C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 153657926 AMABEVVPMKRTNU-LLVKDONJSA-N 332.322 2.710 0 50 EFAA COc1cc(F)c(NC(=O)c2cc(-n3cccn3)ccn2)cc1F 125198790 DEOHKTMHWVBJKN-UHFFFAOYSA-N 330.294 2.806 0 50 EFAA C[C@H](O)CNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72454177 SCQQHMCAXLJSDL-ZDUSSCGKSA-N 346.862 2.592 0 50 EFAA O=C(CN1CCCCCC1)N1CCC([C@H](O)Cc2ccccc2)CC1 77299994 JNDYPWGBNBVJMZ-HXUWFJFHSA-N 344.499 2.705 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1Cc1n[nH]c2ccc(OC)cc12 77379876 ZZFNHFASLYZFAO-ZDUSSCGKSA-N 331.416 2.879 0 50 EFAA C[C@H]1CCCN(C(=O)c2csc(Br)c2)[C@@H]1C(=O)O 235639791 FSHSPOXMOATLBF-XVKPBYJWSA-N 332.219 2.836 0 50 EFAA Brc1ccc([C@H]2CN(C[C@@H]3CCCNC3)CCO2)cc1 261638790 ACQASYHUGIZQDE-CZUORRHYSA-N 339.277 2.822 0 50 EFAA Cc1ccc(CNC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c(C)c1 334021998 DJSDIPZHHXHQCZ-GOSISDBHSA-N 343.471 2.990 0 50 EFAA COc1ccccc1C[C@@H](C)CC(=O)N1CCc2ccnc(O)c2C1 369602497 HYVNQIDWMBVUFC-CQSZACIVSA-N 340.423 2.949 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3nccn3CC)C2)CCC1=O 77438774 PTIHBEQQZPPZCM-IBGZPJMESA-N 332.492 2.908 0 50 EFAA Cn1ncc2c(NCCCn3ccnc3)nc(C3CCCC3)nc21 72480028 NLFVYKKHEIDYOA-UHFFFAOYSA-N 325.420 2.720 0 50 EFAA CCNc1ncc(-c2nccn2Cc2noc(-c3ccccc3)n2)cn1 72147297 GVTSPFHQJGVBAC-UHFFFAOYSA-N 347.382 2.870 0 50 EFAA CC[C@@H](C)CCC(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 376123278 QLLLZZRSUNZACG-GFCCVEGCSA-N 325.430 2.642 0 50 EFAA COc1ccc(CCC(=O)N2C[C@H](C)Oc3ncccc32)cc1OC 158759095 ZWTYFJJWKRZHGU-ZDUSSCGKSA-N 342.395 2.846 0 50 EFAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCCC2)nc1 242389229 ZVIOKOUHQIZIEH-BZUAXINKSA-N 330.476 2.559 0 50 EFAA CN(c1cccc2cccnc12)S(=O)(=O)c1cccc(C(=O)O)c1 242389417 ZXBRPRLSMQDENM-UHFFFAOYSA-N 342.376 2.758 0 50 EFAA CN(CC(=O)NC1(CC(=O)O)CCCCC1)Cc1ccc(F)cc1 218948801 BQZPBLXOKQNKRX-UHFFFAOYSA-N 336.407 2.551 0 50 EFAA Cc1[nH]nc(CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)c1C 77487546 QSLYGGRFNKJCLJ-UHFFFAOYSA-N 344.434 2.837 0 50 EFAA CCn1cnnc1CCn1ccnc1-c1cc(OC)c(OC)cc1F 82136850 PLZWMVDBJWVAFJ-UHFFFAOYSA-N 345.378 2.561 0 50 EFAA Nc1ccc(-c2ccc(C(=O)NCCCCN3CCCC3)cc2)cn1 426436817 XOAXEKOKRCLHQO-UHFFFAOYSA-N 338.455 2.937 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCOCC1 223677836 POXWQIQTXBJYBJ-GXOAENINSA-N 340.423 2.590 0 50 EFAA Cc1nc2c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cccc2[nH]1 222761415 FOHXRPBRSMSWJT-IIYDPXPESA-N 336.395 2.508 0 50 EFAA CN(C)c1ncc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cn1 178901278 PUYHKKGRXAIAPD-JKSUJKDBSA-N 341.415 2.584 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1 178984554 ZONAOTYEQKQVIM-VUDBWIFFSA-N 329.263 2.592 0 50 EFAA CCCO[C@H]1CCCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 426578587 LFLQGJGOTUNYDE-AWEZNQCLSA-N 330.432 2.972 0 50 EFAA Cc1ncc(C(=O)NC[C@@H](O)c2ccc(O)cc2)c(-c2ccccc2)n1 426509573 VOCLLKANJBUZIX-GOSISDBHSA-N 349.390 2.621 0 50 EFAA Cc1cc(CN(C)C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)no1 292325609 ANUOTHHNGDPWMN-ZDUSSCGKSA-N 328.416 2.887 0 50 EFAA O=C(c1ccc[nH]1)N1CCC(c2nccn2Cc2cccnc2)CC1 95500340 XGXKNRBPUZYKHS-UHFFFAOYSA-N 335.411 2.674 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc[nH]2)C3)cc1 91364562 PPZVSICLEBQEHS-DLBZAZTESA-N 339.439 2.760 0 50 EFAA C[C@H](NC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1ccncc1 180291554 BQJCBBYTHWYKJZ-GOEBONIOSA-N 333.432 2.908 0 50 EFAA CCN1C[C@@H](C(=O)N2CCC(Sc3cccc(C)c3)CC2)CC1=O 91907228 JTTWRMCGXMKBGS-HNNXBMFYSA-N 346.496 2.947 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2[nH]ncc2c1 95523603 DSSFPOUDSRUHEJ-OAHLLOKOSA-N 326.404 2.996 0 50 EFAA c1ccc(Oc2ccc(CN3CCN([C@@H]4CCNC4)CC3)cc2)cc1 97711859 QYELNGUJJLORJX-LJQANCHMSA-N 337.467 2.958 0 50 EFAA CN(C(=O)Cc1ccon1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 331689869 WRDZCFBSVOEFRZ-UKRRQHHQSA-N 341.194 2.641 0 50 EFAA Cc1ccccc1[C@H](CNC(=O)CCc1n[nH]c(C)c1C)N(C)C 97155620 BGOREGAQHFERRR-SFHVURJKSA-N 328.460 2.687 0 50 EFAA CN(CC(=O)NCc1ccc(-c2ccccc2)cc1)C1CCNCC1 97698720 ZVRKTNYHBAAGPD-UHFFFAOYSA-N 337.467 2.654 0 50 EFAA Cc1ccc(CN2CCN(Cc3[nH]nc(C)c3Cl)[C@@H](C)C2=O)cc1 97553427 TWLZLNCNCHMBRM-AWEZNQCLSA-N 346.862 2.913 0 50 EFAA O=C(O)[C@@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 268971752 HMTXMZBPUXYZRU-SFHVURJKSA-N 339.391 2.521 0 50 EFAA COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 243956706 CCIWWQPACYFEAQ-BTJLNZGRSA-N 346.814 2.986 0 50 EFAA Cc1[nH]c(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)c(C)c1C(=O)O 244773810 PGZHSEAKIXHSRP-UHFFFAOYSA-N 344.415 2.594 0 50 EFAA Cc1ccc(CNC(=O)CCN(C)C[C@H]2Cc3ccccc3O2)cc1 244678732 IIXXXJAFKCAWFA-LJQANCHMSA-N 338.451 2.937 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)COc3ccccc3F)c2)n1 183719480 LOFKJNXVKVNWCZ-UHFFFAOYSA-N 326.331 2.639 0 50 EFAA CCOc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)O)C1 299742214 ITDQHZPIWDWNLG-CQSZACIVSA-N 335.400 2.568 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2C(=O)O)cc(Cl)c1OC(C)C 299743557 LHZKFYNMYFXYQS-LBPRGKRZSA-N 341.791 2.825 0 50 EFAA CC(C)(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 253432235 XIXOMIMMOHCGAG-CQSZACIVSA-N 325.430 2.766 0 50 EFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC(C2(O)CC2)CC1 652665889 UALRDCDYDXOEFU-UHFFFAOYSA-N 325.412 2.762 0 50 EFAA Cc1ccccc1-n1nc(CC(N)=O)nc1[C@H](C)N1CCCCCC1 826841964 FOONOKYKCBRPCO-HNNXBMFYSA-N 341.459 2.541 0 50 EFAA Cc1nc(-c2cccc(NC(=O)c3ccccc3-n3cnnc3)c2)n[nH]1 828184108 FKCPWJISYFRTBI-UHFFFAOYSA-N 345.366 2.613 0 50 EFAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc(N(C)C)nc1 823736220 UOFQMVBRPULKDR-UHFFFAOYSA-N 335.411 2.953 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)C[C@H](C)n2ccnc2C)c1 670470882 HWTZUEANNAFLCP-AWEZNQCLSA-N 328.416 2.596 0 50 EFAA Cc1ccc(C[C@@]2(C)CCCN2C(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 871078259 JFUDPOPBBSOVKB-PKOBYXMFSA-N 347.480 2.867 0 50 EFAA Cc1cc2ncn(C[C@H](NC(=O)/C=C/CN(C)C)C3CC3)c2cc1C 1875375668 JABUUDQDLDAJIK-QWNKOJSDSA-N 340.471 2.666 0 50 EFAA O=C(NC[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc2c(cc1F)CCNC2 1875304676 QXBNNGUXXOUZFW-KMUNFCNLSA-N 338.373 2.883 0 50 EFAA C[C@]1(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CC=CCC1 952883352 WCKBBPCNFFMCKG-ABAIWWIYSA-N 342.365 2.765 0 50 EFAA Cc1nsc(Br)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 1875293376 NTTGFQNZDBJNKL-SZEHBUNVSA-N 345.262 2.757 0 50 EFAA COC(=O)[C@]1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 1875288551 LUXLFKSONBHJLU-AWEZNQCLSA-N 346.305 2.501 0 50 EFAA O=C(c1ccc2cnccc2c1)N1CCC[C@H](NC2CCOCC2)C1 1875269980 JUSUACYFTSQMLV-IBGZPJMESA-N 339.439 2.608 0 50 EFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cncc(Cl)c1 952965877 UVKXVVPEECPFGM-GFCCVEGCSA-N 335.835 2.598 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)c2c(F)cccc2C(F)(F)F)CC1 886048098 RGAGVNGHFWICKE-JTQLQIEISA-N 346.324 2.962 0 50 EFAA Brc1cncc([C@H]2CCCN2c2ncnc3n[nH]cc23)c1 895707883 OKDPEVVPLJXZIQ-GFCCVEGCSA-N 345.204 2.852 0 50 EFAA CCOC(=O)c1[nH]c(C2CCN(CCOCC3CCC3)CC2)nc1C 1775985610 NSMPEPLMGJHIBL-UHFFFAOYSA-N 349.475 2.891 0 50 EFAA C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1n[nH]cc1Cl 1775985363 BRNUQFDJQTWTOL-JLTPVHFHSA-N 325.821 2.634 0 50 EFAA C[C@H]1COc2ccccc2CN1C(=O)Nc1cnn(CC(F)F)c1 272831735 MUZBXYMPKARUPU-NSHDSACASA-N 336.342 2.963 0 50 EFAA COc1ccc2c(c1)c(C(=O)N1CC[C@@H](CO)C1)c(C)n2C1CC1 170055671 PCLKMVHDNQFOMF-CYBMUJFWSA-N 328.412 2.748 0 50 EFAA COc1ccc2c(c1)c(C(=O)N[C@@H]1C=C[C@H](CO)C1)c(C)n2C1CC1 170017600 GZRRAUFLKCOUKX-UONOGXRCSA-N 340.423 2.960 0 50 EFAA Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[C@H](O)C1 170089513 CPRAFGKESOBLBM-RISCZKNCSA-N 341.249 2.718 0 50 EFAA Cc1cccnc1/C=C/C(=O)NC[C@H](c1cccc(F)c1)N(C)C 170595190 JUDKTKCELZLVEI-QZEKMECESA-N 327.403 2.961 0 50 EFAA CCC[C@@H]1C[C@@H]1NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 170645230 IVWYDWVKNAZWGK-MFKMUULPSA-N 331.441 2.624 0 50 EFAA Cc1c(NC(=O)c2ccc(N3CCOC3=O)cc2)n[nH]c1C1CC1 728069652 XZEAEJASQCJAEI-UHFFFAOYSA-N 326.356 2.804 0 50 EFAA Cc1nnc(-c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)o1 1326069060 WSPZTSHJWGMGBQ-UHFFFAOYSA-N 343.408 2.832 0 50 EFAA Cc1ccc(CN(Cc2ccco2)Cc2nnc3n2CCOC3)s1 281239042 ILSAQOOZUCYWCY-UHFFFAOYSA-N 344.440 2.974 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCO[C@@H](c2cccc(O)c2)C1 302709360 KTKLNVLWBYKVMD-QGZVFWFLSA-N 347.436 2.764 0 50 EFAA CC(C)(C)c1ccc([C@H](O)CNc2ncccc2S(C)(=O)=O)cc1 302735019 OJNQPPHHRKIEPS-OAHLLOKOSA-N 348.468 2.928 0 50 EFAA CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC([C@H]2CCCO2)CC1 189188551 RRTGAEJVQDULBT-GDBMZVCRSA-N 334.464 2.682 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC1(O)CCCC1 305836374 XCKJOWCKUKVKRM-SNVBAGLBSA-N 347.381 2.587 0 50 EFAA c1ccc(N2CCOCC2)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 194004555 ZSYAWSRWXIEWQU-MISYRCLQSA-N 342.483 2.961 0 50 EFAA O=C(NCc1coc2ccccc12)N1CCC(Cn2cnnc2)CC1 650874850 JGWIKYFJLFPEAR-UHFFFAOYSA-N 339.399 2.646 0 50 EFAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 195638675 WSOWLXVBJQKKIB-ZNMIVQPWSA-N 341.455 2.624 0 50 EFAA CC(C)(C)n1cnc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)n1 654037790 WXYGJEGBOLHHPE-VHSXEESVSA-N 349.357 2.655 0 50 EFAA CC(C)N1C[C@H](CN2CCC(O)(c3ccccc3)CC2)CCC1=O 1772814620 KHPVOKARSLAYQU-KRWDZBQOSA-N 330.472 2.617 0 50 EFAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1cccc(F)c1 12099413 CEBUKVKKLUEGAT-IBGZPJMESA-N 344.386 2.707 0 50 EFAA COCCOc1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1 12138036 HHPXDCFHWIJBRP-UHFFFAOYSA-N 329.352 2.889 0 50 EFAA CCc1ccc(CN2CC[C@@]3(CCCN(CCOC)C3=O)C2)cc1 12571820 DSOZWMJRFYAZEA-FQEVSTJZSA-N 330.472 2.710 0 50 EFAA COCCc1nc2ccc(C(=O)N3CCC[C@H](CCCO)C3)cc2o1 12588645 VXELDQGQKUKBHF-CQSZACIVSA-N 346.427 2.641 0 50 EFAA CC1=C(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)OCCO1 14980454 VPUZBVZAMAIRPO-QGZVFWFLSA-N 331.412 2.515 0 50 EFAA Cc1nc(C)n(Cc2cccc(NC(=O)c3ncccc3F)c2)n1 1126758928 UNAXOIOTHDSICU-UHFFFAOYSA-N 325.347 2.730 0 50 EFAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3cc(Cl)ccc3F)C[C@H]2CO1 1857723494 IOJIGZQSOACXPV-DVOMOZLQSA-N 340.826 2.707 0 50 EFAA O=C1C[C@H]2N(Cc3ccc(-c4ccccc4)cc3)CC[C@]23OCCN13 1857727979 IDEHTOYDNQLVFT-CTNGQTDRSA-N 334.419 2.887 0 50 EFAA CCOc1ccc(CC(=O)N2CCC(N3CCCCC3=O)CC2)cc1 120583410 DWXOJUQZORZMIS-UHFFFAOYSA-N 344.455 2.631 0 50 EFAA Cc1cc2c(N[C@@H]3CCCN(c4nccnc4O)C3)ncnc2s1 328622546 ILPRJNIUOZPZLG-LLVKDONJSA-N 342.428 2.576 0 50 EFAA N=C(O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)C1 329608351 NCQCKTHOUFDQKQ-GXTWGEPZSA-N 333.457 2.587 0 50 EFAA COc1ncc(Cl)c(NCc2cccc(N3CCCC3=O)c2)n1 132611005 DBIPBLUUMJNZMF-UHFFFAOYSA-N 332.791 2.878 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 348589641 UJTPSEDCXRNYKS-UWVGGRQHSA-N 343.210 2.697 0 50 EFAA COC[C@]1(C(=O)O)CCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 263113241 UVZUOEGSCOZFHR-SFHVURJKSA-N 345.351 2.635 0 50 EFAA CCCn1nc(C)c(C(=O)N(C)C[C@]2(O)CCc3ccccc32)c1C 843957885 SKKUJPMAHHWBMY-HXUWFJFHSA-N 341.455 2.816 0 50 EFAA Cc1nn(-c2ccccc2Cl)cc1CN1CCO[C@@H](CC(=O)O)C1 901507832 MWFLINQWBDIWSZ-AWEZNQCLSA-N 349.818 2.510 0 50 EFAA O=C(O)c1cccnc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 647455100 MOCPEWSZRVGFAF-HXUWFJFHSA-N 337.423 2.882 0 50 EFAA C[C@H](Cc1ccco1)C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2 2325812932 UYBDWJKXHXPRQV-RISCZKNCSA-N 345.351 2.519 0 50 EFAA Cc1nc2ccc(-n3cc(CN4C[C@H](C)O[C@H](C)C4)nn3)cc2s1 899733307 RQSLUPYBPFEDFT-TXEJJXNPSA-N 343.456 2.795 0 50 EFAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 130407407 BZCDIQHWHFYPHN-QZTJIDSGSA-N 344.480 2.802 0 50 EFAA Cc1cc(C)cc(N([C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 614787 CKVZQKNSISXSAQ-CQSZACIVSA-N 338.473 2.517 0 50 EFAA CCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 3141076 ZKMPSRPPCJOWKD-UHFFFAOYSA-N 346.452 2.635 0 50 EFAA CCNCc1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 4838788 VYNFYESSCZWRCT-UHFFFAOYSA-N 344.411 2.831 0 50 EFAA Cc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C 6730821 PKDCKGAQKQWSRS-UHFFFAOYSA-N 327.384 2.886 0 50 EFAA CC(C)c1ccccc1NC(=O)CCC(=O)NCc1csc(N)n1 55341409 MQXXDSKDVPFRJJ-UHFFFAOYSA-N 346.456 2.884 0 50 EFAA CCCc1cc(C(=O)N(C)[C@@H](C)c2ccc3c(c2)OCCO3)[nH]n1 55052551 BIRIMRMGTJYVDZ-LBPRGKRZSA-N 329.400 2.967 0 50 EFAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)O1 248818298 AWVYTGMQQJLTBL-ZZJRJCAOSA-N 348.468 2.565 0 50 EFAA Cc1cc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2C)[nH]n1 55342192 XDLQDLZXICPUNX-UHFFFAOYSA-N 341.396 2.988 0 50 EFAA COc1ccc(C)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314263 YSGXVAGRRPIHJR-UHFFFAOYSA-N 348.424 2.936 0 50 EFAA COc1ccc2c(ccn2CC(=O)N2CCN(c3ccccc3)CC2)c1 20744978 BCZKRQWIKIPUKC-UHFFFAOYSA-N 349.434 2.999 0 50 EFAA CCc1ncn(Cc2nc(-c3cc(OC)c4c(c3)OCO4)oc2C)n1 67819839 BKHZCQLROQPKQQ-UHFFFAOYSA-N 342.355 2.590 0 50 EFAA Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cnc(Cl)c1Cl 63845102 UPBLZAGIEBLHNR-UHFFFAOYSA-N 330.219 2.860 0 50 EFAA C/C(=C\c1ccccc1)CN1CC[C@H](CNC(=O)c2cnco2)C1 67954513 LAIJAYJDDSZZNM-NQUDRAQSSA-N 325.412 2.830 0 50 EFAA Cc1c([C@H]2[C@H](NCc3ccc([C@@H]4C[C@@H]4C)o3)CC(=O)N2C)cnn1C 328615844 BBUUWCBVJAFKPX-DATOTUDJSA-N 342.443 2.507 0 50 EFAA Cc1cc(OCC(=O)N2CC[S@@](=O)CC[C@@H]2C)ccc1C(C)C 252506910 WDAPTZZCZRYXRJ-WNSKOXEYSA-N 337.485 2.867 0 50 EFAA O[C@H]1CCCN(c2ncccc2CNc2cnc3ccccc3n2)C1 67562012 GYDZNHYQBYCFHH-HNNXBMFYSA-N 335.411 2.598 0 50 EFAA COCc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 282543301 NFKHACFHOJUYMQ-MSOLQXFVSA-N 329.371 2.920 0 50 EFAA Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1O 77375890 IWWFZTKKEVFIEU-HXUWFJFHSA-N 342.439 2.708 0 50 EFAA CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1 215589752 QDHHQTFLIXLEQS-CQSZACIVSA-N 345.830 2.937 0 50 EFAA CCc1ccc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 253428026 GIEWZEMMXGYTGZ-UHFFFAOYSA-N 335.407 2.777 0 50 EFAA O=C(NC(=O)c1ccc(F)cc1)OC[C@H]1CCCN2CCCC[C@H]12 8378777 HQTAXOPUMYCJIK-GDBMZVCRSA-N 334.391 2.957 0 50 EFAA CN(Cc1ccncc1Cl)C[C@@H]1C[C@H](F)CN1c1ccncn1 360757435 XHENBJZDOQWADR-KBPBESRZSA-N 335.814 2.574 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1cncc(-c2ccccc2)n1 284453665 BSWZSATYYNQUHT-KPFFTGBYSA-N 339.439 2.900 0 50 EFAA COc1ccc(-n2cc([C@H](C)NC(=O)Nc3nncs3)cn2)cc1 32511656 FIRZEDMULRHVHC-JTQLQIEISA-N 344.400 2.615 0 50 EFAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 245862091 COMDHNOZCVWEMO-OWSLCNJRSA-N 331.435 2.950 0 50 EFAA c1ccc(-n2cc(CN3CCC[C@H](OCc4cccnc4)C3)nn2)cc1 72154577 RJNNAYGXZPGVBO-FQEVSTJZSA-N 349.438 2.844 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)n1 156883189 WVGKZAGFUGTXLA-SNVBAGLBSA-N 338.462 2.634 0 50 EFAA O=C(NCCCCN1CCCC1)c1ccc([C@H]2CCCNC2)cc1 214983035 NDEIZQSBYQWFSN-IBGZPJMESA-N 329.488 2.759 0 50 EFAA CN1CCC[C@H](CNC(=O)N2CCSCC2)[C@H]1c1cccs1 246117604 IEMZZBDWMIWYLU-HIFRSBDPSA-N 339.530 2.889 0 50 EFAA N[C@@H]1CCC[C@@H](C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)C1 262081384 FHSXZGVVMCNOTB-BRWVUGGUSA-N 347.528 2.736 0 50 EFAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc2c(F)ccc(F)c2c1 343173820 BCJLZDOXAHAUQQ-AEFFLSMTSA-N 340.329 2.901 0 50 EFAA C[C@@]1(N)CCCC[C@@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 262913000 FXCMMXJPOXCMAR-YLJYHZDGSA-N 338.455 2.665 0 50 EFAA Cc1coc(-c2cccc(NC(=O)c3cnc(C4CC4)nc3N)c2)n1 376876729 VCRBVZBLKSYXST-UHFFFAOYSA-N 335.367 3.152 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H]3OCC[C@H]13)CC2 240555676 GXDPCTKZNYQMCC-QXDIGNSFSA-N 335.492 2.601 0 50 EFAA C[C@H]1CN(c2cncc(Br)c2)C[C@]2(CCCOC2)O1 241653376 PUOSZRVKEFHKQB-FZMZJTMJSA-N 327.222 2.618 0 50 EFAA COC[C@H]1CN(C(=O)Cc2c[nH]c3cccc(C)c23)CC(C)(C)O1 338088071 DZBOEGQGDKRLRN-OAHLLOKOSA-N 330.428 2.671 0 50 EFAA CNC(=O)c1cccc(NC(=O)N[C@H]2COc3ccc(C)cc32)c1 132382662 KUWMHEXLNODGKH-HNNXBMFYSA-N 325.368 2.610 0 50 EFAA O=C(C[C@H]1COCCN1)Nc1ccc(SCc2ccco2)cc1 72139002 ASZBLMWMLGJAGS-AWEZNQCLSA-N 332.425 2.889 0 50 EFAA CSc1nc(C(=O)N2CCCN(Cc3ccncc3)CC2)cs1 221359403 AEDOJCCKKKCBPN-UHFFFAOYSA-N 348.497 2.608 0 50 EFAA Cc1nc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c[nH]1 291227721 OWWRFNFKJQTWIY-QGZVFWFLSA-N 326.444 2.750 0 50 EFAA c1ccc2c(c1)C[C@@H](CN1CCC(CN3CCOCC3)CC1)CCO2 95528399 UCBCYETYKYOQBX-IBGZPJMESA-N 344.499 2.672 0 50 EFAA CCc1cc(C(=O)NC[C@@H]2COc3c(cccc3OC)C2)ccn1 95373017 BGBSMMZPDIGUKM-CYBMUJFWSA-N 326.396 2.634 0 50 EFAA Cc1cccc(-n2cc(-c3ccnc(N4CC[C@@H](N(C)C)C4)n3)cn2)c1 23214430 PNBHRMQOXLCKDM-GOSISDBHSA-N 348.454 2.778 0 50 EFAA CC(C)N1CCC[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O 91551844 DREOYZIPHVBWGN-OAHLLOKOSA-N 342.365 2.723 0 50 EFAA Cc1cc(NCCC(=O)N2CCCC2)nc(-c2ccccc2O)n1 92099363 AZIIDYKZJCQGPR-UHFFFAOYSA-N 326.400 2.582 0 50 EFAA O[C@H]1CCCOC12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 95355488 AZLAHJDQIXJHDU-KRWDZBQOSA-N 343.402 2.793 0 50 EFAA Cc1ccc(C)c2c(=O)cc(CN3CCN4CCCC[C@@H]4C3)[nH]c12 91780671 PHCAVZKQNMHCRM-QGZVFWFLSA-N 325.456 2.815 0 50 EFAA O=C(Cc1ccsc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 95368981 JQLINDCCJJTSSL-JKSUJKDBSA-N 332.469 2.540 0 50 EFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CC[C@@H]2CCCC[C@H]2C1 92028261 ISBFGJMVZBQJDU-KBPBESRZSA-N 338.411 2.897 0 50 EFAA CCC[C@@]1(CO)CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 91876425 QVIXEFMUFVILKG-QGZVFWFLSA-N 325.836 2.989 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1C(=O)O 237320114 RZXKZZPMSRRECC-LSDHHAIUSA-N 343.354 2.952 0 50 EFAA Cc1cc2cccc(C(=O)N3CCNC(=O)[C@H]3Cc3ccccc3)c2o1 97505934 LGSZHVCGNGAWSB-GOSISDBHSA-N 348.402 2.925 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@H]2c2cccnc2)nc2ncnn12 92106822 LMXQUUUOBYITTA-HNNXBMFYSA-N 336.399 2.620 0 50 EFAA CN1CCN(CCCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 91270487 IKYUCSJAUOBWKB-IBGZPJMESA-N 339.499 2.535 0 50 EFAA Cc1nn(C(C)(C)C)c(=O)n1CCOc1ccc(F)cc1Cl 182153629 WEJOZEJJASMVPL-UHFFFAOYSA-N 327.787 2.980 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCn1cccn1 182642514 WHCZBHLDWWKCSE-OAHLLOKOSA-N 330.436 2.550 0 50 EFAA Cc1cc(NC(=O)COC[C@H]2CCOC2)nn1-c1cccc(Cl)c1 183318051 JVCTUAPCRZURHX-ZDUSSCGKSA-N 349.818 2.826 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H](N)C2)c2cccnc12 534661953 AUXJESPLZLESBV-HIFRSBDPSA-N 327.428 2.719 0 50 EFAA 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COc1ccc(CN2CCC(c3nc(C(=O)O)cs3)CC2)c(C)n1 1875291447 ZOMXDKZDXFHVGZ-UHFFFAOYSA-N 347.440 2.933 0 50 EFAA COC(=O)[C@@H]1CC12CC(NC(=O)c1cc(Cl)nc(Cl)c1C)C2 1875370498 RDACWMDROHWYQJ-VGWYGZTPSA-N 343.210 2.768 0 50 EFAA Cc1cc(N2CCO[C@@H](CC(N)=O)C2)c2ccc(C)c(Cl)c2n1 884566242 DZMJUQVKZGXRGQ-LBPRGKRZSA-N 333.819 2.586 0 50 EFAA Cc1nc(O)c2ccc(C(=O)N3CC[C@H](C(F)(F)F)C3)cc2n1 888029497 XWZKISJRIBRMJW-JTQLQIEISA-N 325.290 2.668 0 50 EFAA CCOc1ccccc1OCCN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888079366 ZXBPHWGSGCOVDA-HUUCEWRRSA-N 331.416 2.649 0 50 EFAA CN1CC[C@@H](C(=O)Nc2ncc(-c3cccc(F)c3)s2)CC1=O 889458658 KQOSLHUAIZYCNK-LLVKDONJSA-N 333.388 2.756 0 50 EFAA O=C1CCCc2cc(C(=O)N3C[C@@H](O)[C@H](Cc4ccccc4)C3)ccc21 890510676 PWUCDQGQZKWHEP-WIYYLYMNSA-N 349.430 2.881 0 50 EFAA CCOC(=O)Nc1ccc(NC(=O)C2(Cc3cnn[nH]3)CCC2)cc1 1775987034 IHPRTHAZJRFOCW-UHFFFAOYSA-N 343.387 2.725 0 50 EFAA Cc1ccccc1[C@H]1C[C@H](NCc2cn(C[C@@H]3CCOC3)nn2)C1 631127014 NPLRIKOCSMCVBW-ULQDDVLXSA-N 326.444 2.659 0 50 EFAA 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O=C(Nc1cncc(F)c1)C(=O)N1CCC[C@H]1c1cc(F)ccc1F 2325818613 MUQCZOUQTDOOHH-HNNXBMFYSA-N 349.312 2.801 0 50 EFAA Cc1onc(C2CCCCC2)c1C(=O)OCCN1CCOC[C@@H]1C 2325861184 IBWKDSCGLREDLN-ZDUSSCGKSA-N 336.432 2.908 0 50 EFAA CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N2CCCCC2)[C@@H]1O 293716 HZFAZVKVQKOGJZ-AEFFLSMTSA-N 329.396 2.852 0 50 EFAA biogenic O=C(Cc1cccc2ccccc12)NC(=S)NC[C@@H]1CCCO1 617029 PELZAXWWGFYVPZ-HNNXBMFYSA-N 328.437 2.552 0 50 EFAA CCOC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OCC)c1 1055043 IPDRWFFACWUSQA-UHFFFAOYSA-N 342.351 2.687 0 50 EFAA COc1ccc(-c2cccc(-c3ccn(CCn4cccn4)n3)c2)nn1 23620114 MOKCXNCHTMEYBK-UHFFFAOYSA-N 346.394 2.912 0 50 EFAA CCc1n[nH]c(C(=O)N(C)CCCOc2ccc(OC)cc2)c1C 55282205 SDOQLCUCLWPTST-UHFFFAOYSA-N 331.416 2.830 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 248139981 PWRWGHYANKOMFG-QZTJIDSGSA-N 342.418 2.710 0 50 EFAA COC(=O)C[C@H]1Oc2ccccc2N(CCc2ccc(F)cc2)C1=O 55183168 LRMANFGFMLTDSY-QGZVFWFLSA-N 343.354 2.726 0 50 EFAA CC(C)Cn1c(CN(C)CCc2ccccc2)cnc1S(C)(=O)=O 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0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(Br)cn2)C1 888079263 PMNPKHHXXRIFNG-CHWSQXEVSA-N 337.221 2.529 0 50 EFAA CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1cc(C)nc(CO)n1 1772121757 FJXOYJLJSRHCRM-NSHDSACASA-N 332.473 2.885 0 50 EFAA Cc1cc(COCC(=O)N2c3ccccc3N(C)CC[C@H]2C)no1 1775994471 QZHBJTWTAOWBDW-CYBMUJFWSA-N 329.400 2.761 0 50 EFAA O=C(c1cc(F)cc(F)c1)N1CCCN(Cc2cncs2)CC1 989615395 GSSFLYWZOYHMHD-UHFFFAOYSA-N 337.395 2.769 0 50 EFAA Cc1nn(-c2ccccc2)c2ncc(S(=O)(=O)NC3(C)CC3)cc12 1345125848 GRXPYFCJIWKYCB-UHFFFAOYSA-N 342.424 2.560 0 50 EFAA Cc1ccnc(O)c1C(=O)N1CCc2c(CN3CCCC3)cccc21 170071518 NOKRLICXMAIYCT-UHFFFAOYSA-N 337.423 2.894 0 50 EFAA CN1C(=O)N(c2ccncc2)C(=O)[C@@H]1c1cccc(Br)c1 170613811 GKFLCTYEQRKBGH-ZDUSSCGKSA-N 346.184 2.984 0 50 EFAA NC(=O)c1cccc2c1CCCN2C(=O)c1cc2c(s1)CCOC2 170868638 SQEYJVDEBNJMNH-UHFFFAOYSA-N 342.420 2.513 0 50 EFAA COc1cnccc1[C@@H](C)NC1CCN(Cc2cccnc2)CC1 188778751 HRNRUQDTGRXEEU-OAHLLOKOSA-N 326.444 2.800 0 50 EFAA O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)[C@H]1CSCN1 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327.432 2.842 0 50 EFAA CN1CCC(n2nccc2NC(=O)c2ccc3c(c2)CCCO3)CC1 1529177731 FBRXAFXWQVIHJO-UHFFFAOYSA-N 340.427 2.727 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(C)(C)C2)[C@H]1c1ccccc1 1529196384 ZAYATCBYQVLDOF-MSOLQXFVSA-N 344.455 2.622 0 50 EFAA CCCOc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1616068885 HVHOMFOOBZILAB-HKUYNNGSSA-N 340.423 2.858 0 50 EFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@@H]4C[C@]4(C)C3)c2)on1 1775977506 JLSJWROTYVRKEA-WMLDXEAASA-N 332.425 2.989 0 50 EFAA Cc1cc(O)nc(Sc2c(C)c3cc4c(cc3[nH]c2=O)OCO4)n1 5095357 RGTKDOLUQPAOEB-UHFFFAOYSA-N 343.364 2.520 0 50 EFAA CCc1cc(C(=O)N[C@@H]2CCCN(Cc3cccc(OC)c3)C2)on1 12054784 PNBIUEAMJOZECZ-MRXNPFEDSA-N 343.427 2.640 0 50 EFAA CSCC(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 12217175 PCYDAQQNKMURHY-LBPRGKRZSA-N 332.400 2.670 0 50 EFAA Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C(N)=O)CC1 12408741 LHIHVYXDOHPTST-UHFFFAOYSA-N 347.415 2.595 0 50 EFAA CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1Cl 13110801 NDXSKQHWYDGVEF-AWEZNQCLSA-N 347.806 2.959 0 50 EFAA CC[C@@H](C(=O)N1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13712982 RZVAEGLCJOPXOL-INIZCTEOSA-N 338.473 2.552 0 50 EFAA COc1ccc(Nc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 17993833 CLZDYWRPFKANTP-UHFFFAOYSA-N 327.340 2.693 0 50 EFAA biogenic CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CCCc2ccccc2)C1 200560683 HFBPNUOGEZJECY-MOPGFXCFSA-N 328.456 2.869 0 50 EFAA CCn1ccc2cc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)ccc21 1857729343 DQUMLDRMNFYQHX-TZIWHRDSSA-N 339.483 2.956 0 50 EFAA CC(C)C[C@@H]1CN(C(=O)c2cccc3nccnc23)CC[C@]1(C)O 213016480 PEKMPDPJGWHPDH-KUHUBIRLSA-N 327.428 2.889 0 50 EFAA Cc1c([C@H](NC(=O)c2ccc(=O)[nH]n2)C(C)C)oc2ccccc12 112199221 HKYAQJKAZWLKQR-MRXNPFEDSA-N 325.368 2.952 0 50 EFAA O=C(C1=COCCO1)N1CCSC[C@H]1c1ccc(Cl)cc1 116136680 JCXYOGVEHBWDNP-ZDUSSCGKSA-N 325.817 2.845 0 50 EFAA CC1CC(C(=O)NC[C@H]2CCN(C)C(=O)C2)(c2cccc(Cl)c2)C1 424962557 WXGNQQASFJBBBV-BIWSTMPVSA-N 348.874 2.992 0 50 EFAA Cc1cc([C@@H]2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)C2)n[nH]1 229923464 DOLWHNODYWVVJW-VQIMIIECSA-N 338.455 2.917 0 50 EFAA COc1cc(CNC(=O)C2(c3cccc(F)c3)CC2)ccc1C(=O)O 237309334 SMTUWBLXCCWVEM-UHFFFAOYSA-N 343.354 2.881 0 50 EFAA CN(C)c1ccnc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 131758251 UIFFXAWZSNAMAA-UHFFFAOYSA-N 325.412 2.906 0 50 EFAA COc1ccc2cc(C(=O)N3CC[C@]4(CCOC4)C3)c(C)nc2c1 153715933 ROEBQVLAPCXSMX-IBGZPJMESA-N 326.396 2.804 0 50 EFAA CC(C)S(=O)(=O)CCCSc1nnc(-c2ccccc2)[nH]1 158154114 SLTXHECURMGGES-UHFFFAOYSA-N 325.459 2.777 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 158984329 AUKFTTDSVACDKM-OAHLLOKOSA-N 334.435 2.824 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 262875691 DQFVIDHYSDKDKK-AEFFLSMTSA-N 344.455 2.504 0 50 EFAA O=C(O)c1ccccc1-c1ccccc1C(=O)NC1CCOCC1 263377087 BADOENAAXGMVAI-UHFFFAOYSA-N 325.364 2.961 0 50 EFAA COc1ccccc1C1(CNC(=O)c2cc(C(=O)O)co2)CCC1 263569067 HGMMVHLCRWCTPD-UHFFFAOYSA-N 329.352 2.838 0 50 EFAA CCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)c(C2CC2)n1 902017711 RKQPLMHJPUAAGR-GOEBONIOSA-N 339.395 2.823 0 50 EFAA Cc1cc([C@H](C)N[C@@H]2C[C@]3(CCNC3)Oc3ccccc32)nn1C 902503960 UJNUJYLINHJRDH-YJLNNSPDSA-N 326.444 2.635 0 50 EFAA O=C1CC[C@H](c2nc(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)no2)CN1 817099537 DEMTWBPQSPFOTA-MRFUGZLCSA-N 335.835 2.892 0 50 EFAA CN(C)C(=O)O[C@H]1CCCN(c2cc(Nc3ccccc3)ncn2)C1 853653954 BOLNQVVMPLNZOG-HNNXBMFYSA-N 341.415 2.887 0 50 EFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cccc2c1OCC2 931138774 MYWFAYOQMCPOET-HNNXBMFYSA-N 342.399 2.528 0 50 EFAA C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccc(CO)cc1 1776005662 FKWLCAQKWCJBBO-AWEZNQCLSA-N 334.460 2.914 0 50 EFAA Cc1coc(-c2ccccc2)c1C(=O)NCCS(=O)(=O)CC1CC1 2325748382 AEOPCEIJTNTKRC-UHFFFAOYSA-N 347.436 2.810 0 50 EFAA CC(C)(C)O[C@H]1C[C@@H](NC(=O)N2CCCN(C3CC3)CC2)C1(C)C 2325751504 WYDYPFKXMNVWTC-CVEARBPZSA-N 337.508 2.848 0 50 EFAA COc1cc(OC)c(CN2C[C@H](CC(=O)O)C(C)(C)C2)cc1F 2325788241 UUVVUTLUBCHOJO-LBPRGKRZSA-N 325.380 2.776 0 50 EFAA C[C@H](c1nccs1)N1CCN(c2cc(=N)[nH]c3ccccc23)CC1 2325822273 NNZSLKKWHVHRTB-CYBMUJFWSA-N 339.468 2.987 0 50 EFAA NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 271893 GJYYEMUSWSBSBZ-UHFFFAOYSA-N 330.653 2.760 0 50 EFAA Cc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)n1C 464075 BTFVBHPYKJJYFQ-UHFFFAOYSA-N 345.453 2.978 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 559922 GDVOKTZIEOLWED-UHFFFAOYSA-N 337.423 2.916 0 50 EFAA COc1ccc(C(C)C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 618922 CALIFBVFCNLIOG-CHWSQXEVSA-N 327.446 2.617 0 50 EFAA Cc1ccccc1CN1CCN(C2CCSCC2)C[C@@H]1CCO 23374148 RVLQUATZQNWYKU-IBGZPJMESA-N 334.529 2.759 0 50 EFAA COc1ccc(C)cc1C(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356145994 MOBWLFZRQFXDAU-FQEVSTJZSA-N 342.439 2.763 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356158932 FLJBUSBFFCBHHU-HXUWFJFHSA-N 334.423 2.940 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(C)=O 4815403 YJHYOXZPMUAROQ-UHFFFAOYSA-N 338.360 2.594 0 50 EFAA C[C@H](NC(=O)Nc1ccc2c(c1)oc(=O)n2C)c1cccc(O)c1 112425204 IXNQKOKYDDWWCF-JTQLQIEISA-N 327.340 2.720 0 50 EFAA CCN(CCOc1cccc(OC)c1)C(=O)c1cccnc1NC 55414880 JRNWLQNTKSKMNZ-UHFFFAOYSA-N 329.400 2.673 0 50 EFAA O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 101209013 VCZBEKBVLNNNSH-OUJBWJOFSA-N 330.247 2.916 0 50 EFAA Cc1nc2ccccc2c(O)c1CCC(=O)N1[C@H]2CC[C@@H]1CCNC2 65387874 TZXCCQKJWDTWFH-CABCVRRESA-N 339.439 2.534 0 50 EFAA CCNC(=O)NC[C@@H]1CCN(Cc2c(Cl)ccc(C)c2F)C1 67974623 NISRXEWRBRRPHV-LBPRGKRZSA-N 327.831 2.929 0 50 EFAA CC(=O)N[C@H](c1nc(Cn2cnc3ccccc32)no1)C(C)(C)C 351052763 DAJUZYUMTRPUHD-OAHLLOKOSA-N 327.388 2.691 0 50 EFAA CC(C)C(=O)N1CCC(N(C)Cc2nc3ccccc3n2C)CC1 67648896 CLERUGBMHWIYDC-UHFFFAOYSA-N 328.460 2.652 0 50 EFAA COC[C@H](NC(=O)c1oc2cc(OC)ccc2c1C)c1ccnn1C 65371819 LDZVZSANMQMNBF-AWEZNQCLSA-N 343.383 2.601 0 50 EFAA CCn1nc(C)c(NC(=O)CN[C@H](C)c2cn3ccsc3n2)c1C 65419099 HKGVHVGHFYRIMF-SNVBAGLBSA-N 346.460 2.518 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 283357182 YGWHWLKRYCBJBC-UONOGXRCSA-N 333.457 2.827 0 50 EFAA COc1ccc(NC(C)=O)cc1NC(=O)c1cc2[nH]cnc2cc1F 253419229 HVFVCUAGWCUJSA-UHFFFAOYSA-N 342.330 2.921 0 50 EFAA CO[C@H]1CCCC[C@H]1NCc1nc(O)c2c3c(sc2n1)CCC3 361747927 PNLPGPRRYNNIAE-NEPJUHHUSA-N 333.457 2.933 0 50 EFAA O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1=O 363120428 QXLSAZOCIUHDTR-MRXNPFEDSA-N 345.349 2.887 0 50 EFAA CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 157282903 PEJCMVNXMLGXBP-KRWDZBQOSA-N 348.443 2.926 0 50 EFAA CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)Cn1nnc2ccccc21 32602858 FUGSGULHNZRVAD-ZDUSSCGKSA-N 332.404 2.805 0 50 EFAA Cc1nc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(C)nn(C)c2n1 72428154 BRHPVEZBQOTTRJ-LSDHHAIUSA-N 328.464 2.657 0 50 EFAA CCOC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC)C2 72435893 SCSIWGBNEHYZOX-GOSISDBHSA-N 344.455 2.625 0 50 EFAA C1CCc2nnc(CN3CCCC[C@H]3c3noc(C4CC4)n3)n2CC1 376615595 CZXYUNWBOAFTCE-AWEZNQCLSA-N 342.447 2.992 0 50 EFAA C[C@@H]1CCOCCN1C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 376979183 NJZARBLFOCUQTD-SNVBAGLBSA-N 337.326 2.925 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@@H](N)C[C@H]2C)cc(Cl)c1OC 237166746 NNMCSPVZHHEYHA-WPCUQIPDSA-N 338.835 2.709 0 50 EFAA C[C@@H]1c2ccccc2CN1C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 333548052 MCCTVVQGXPBGAK-XVSDVWIESA-N 335.407 2.704 0 50 EFAA Cc1noc(C)c1CN1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1 72420295 OQDOSJUYGBOPHK-UHFFFAOYSA-N 346.431 2.687 0 50 EFAA COc1cc(C(=O)N2CC[C@@H](N)C[C@@H]2C)ccc1OC1CCCC1 237244085 GGPBCCRQROPFIM-DZGCQCFKSA-N 332.444 2.968 0 50 EFAA O=C(Cc1ccc(F)cc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 219859327 KQUHWPRAIULFNL-MOPGFXCFSA-N 343.398 2.859 0 50 EFAA Cc1n[nH]c([C@H]2CCCN2C(=O)c2cc(-c3cccs3)n(C)n2)n1 218790867 AFLMRPORKGTDEM-GFCCVEGCSA-N 342.428 2.552 0 50 EFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 47977869 BSEQZCHCJLDDMD-LLVKDONJSA-N 339.823 2.681 0 50 EFAA CCc1cnc(C)nc1N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71661309 OWVOFJKYVNSDIM-KRWDZBQOSA-N 330.476 2.821 0 50 EFAA COc1ccc([C@@H](C)NCc2ccc(C(=O)N(C)C)[nH]2)c(C)c1OC 288481106 PXDNHGFDUAJOJX-CYBMUJFWSA-N 345.443 2.893 0 50 EFAA N[C@H]1CCCCN(c2nnnn2-c2ccc(-c3ccccc3)cc2)C1 82083773 BYAGKQVMHRKOPA-KRWDZBQOSA-N 334.427 2.647 0 50 EFAA CC(C)N(C)CCNC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 245388787 FITGSZLULNWYHN-ROUUACIJSA-N 333.476 2.794 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)no1 82138888 RMISIBUUKVWJBG-MRXNPFEDSA-N 329.400 2.844 0 50 EFAA Cc1cc(N2CC[C@@H](Oc3ccncc3)C2)nc(-c2ccncc2)n1 133814652 LMRANRFLWTYIQV-QGZVFWFLSA-N 333.395 2.900 0 50 EFAA CCN(CCn1cccn1)C(=O)Cc1ccccc1C(F)(F)F 221336737 NPCYLGZOIOHCJD-UHFFFAOYSA-N 325.334 2.993 0 50 EFAA COc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)o1 82083373 XPSIKWXBZCWOCZ-LLVKDONJSA-N 348.786 2.819 0 50 EFAA COC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cn(C)nc3C)nc21 20603207 JRRDOLIGYVTQSD-UHFFFAOYSA-N 349.341 2.559 0 50 EFAA CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC(C)C)[C@@H](C)C1 291723661 ZRRBERSIVMJARK-HNNXBMFYSA-N 341.459 2.658 0 50 EFAA Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccc(C)nc2)cc1 222927578 DLXQOZNLDXUUQW-HNNXBMFYSA-N 346.452 2.740 0 50 EFAA c1nc(NCC2(N3CCCCC3)CCCC2)cc([C@H]2CCOC2)n1 426358212 GELDYEDUWJZAOZ-INIZCTEOSA-N 330.476 3.191 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 95374089 JLOAHKKXPAGEFH-MRXNPFEDSA-N 345.443 2.845 0 50 EFAA O=C(CCc1cc2n(n1)CCCN(C[C@H]1CC=CCC1)C2)NC1CC1 91678081 ZDLOUFVJGBLCMH-INIZCTEOSA-N 342.487 2.656 0 50 EFAA Cc1ccc(CN2CCC(CNC(=O)Cc3csc(C)n3)CC2)o1 96136474 FOUCRZJSLHXHSN-UHFFFAOYSA-N 347.484 2.924 0 50 EFAA COc1ncccc1C(=O)CSc1nnc(-c2ccccc2)[nH]1 239619556 BFNHEVFQQIVVNV-UHFFFAOYSA-N 326.381 2.850 0 50 EFAA Cc1nn(C)c2nc(N3CCC([C@H](O)c4ccccn4)CC3)sc12 95496989 UEDJWNDOVATQQU-AWEZNQCLSA-N 343.456 2.683 0 50 EFAA O=C(CCc1ccco1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91818484 UPXGARKPQZQWTR-HXUWFJFHSA-N 344.455 2.853 0 50 EFAA CCc1ncc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cn1 97447044 VFABETDJGPOQQW-IAGOWNOFSA-N 325.412 2.907 0 50 EFAA Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-n2cnnc2)nc1 97716848 VLCASRYVOILMLS-QGZVFWFLSA-N 333.395 2.948 0 50 EFAA CCc1ccc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)nc1 91616310 BYYHYGVDAGFRMP-RTBURBONSA-N 331.504 2.560 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)N2CCSC(C)(C)C2)n1 267539845 AYRRRDBBWOPOEK-UHFFFAOYSA-N 343.474 2.608 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cc(C)no2)C3)c1 96133108 YZKZXAPIOYFUIL-UHFFFAOYSA-N 338.367 2.580 0 50 EFAA Cc1cc(-c2ccccc2)nc(CN2CC[C@@]3(CCCNC3=O)C2)n1 91747116 AFGSRPMNRCQKKP-FQEVSTJZSA-N 336.439 2.554 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)CCc2cccc(Cl)c2)C1 91364416 OHSKTAQWKLITJA-GOSISDBHSA-N 339.863 2.910 0 50 EFAA Cc1ccc(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)nc1 184253180 YBRGWHLERWSDDJ-UHFFFAOYSA-N 334.383 2.696 0 50 EFAA C[C@]12C3=C(CCCC3)[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253587964 ARABCTRWRNZYMF-DCXXXQMHSA-N 347.418 2.973 0 50 EFAA CC(C)(C)OC(=O)N1CC(=O)c2sc(Br)nc2C1 261507927 NXBCSBQYJDBTJT-UHFFFAOYSA-N 333.207 2.839 0 50 EFAA COCc1noc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 534587198 XVANSLHFQZILOB-AWEZNQCLSA-N 348.378 2.792 0 50 EFAA Cc1ncccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1940195077 LDBVXZOWORUKOW-OXQOHEQNSA-N 347.418 2.926 0 50 EFAA Cc1cc(CC(=O)N2CCCN(CCCc3ccccc3)CC2)on1 299781360 WVOQEPMQUWOGPO-UHFFFAOYSA-N 341.455 2.693 0 50 EFAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCCc1csc(N)n1 299796080 PPVKYUNWFMVMBZ-SNVBAGLBSA-N 334.449 2.565 0 50 EFAA O=C1CCc2c1cccc2C(=O)NCc1nncn1C1CCCCC1 670461248 IWBSJYNXZXTGLD-UHFFFAOYSA-N 338.411 2.842 0 50 EFAA Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3=NNC(=O)CO3)cc2)c1 1875279711 ZIRPFOYSWWRKNV-DLBZAZTESA-N 349.390 2.545 0 50 EFAA CN(Cc1nc[nH]n1)C[C@@H]1CCC2(CCC2)CN1C(=O)OC(C)(C)C 1875279071 QFFWAVCCVWWGRP-AWEZNQCLSA-N 349.479 2.806 0 50 EFAA CC(C)(C)OC(=O)c1cc(N2C[C@H]3COCC[C@H]3C2)c(C2CC2)nn1 1875320956 OXEVKWGLHIBNHD-KBPBESRZSA-N 345.443 2.782 0 50 EFAA O=CN[C@H](Cc1ccsc1)C(=O)N1C[C@@H]2CCCCCC[C@H]2C1 1875322251 NFZYTMGPXUNYOR-YESZJQIVSA-N 334.485 2.834 0 50 EFAA O=C1CCc2cc(NC(=O)NCc3cc4cnccc4[nH]3)ccc2N1 1875345530 AQCYUYFELOHDDW-UHFFFAOYSA-N 335.367 2.769 0 50 EFAA Cc1cnn(CCC(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 952982840 RFQMSQBSJZNTIJ-OAHLLOKOSA-N 329.400 2.778 0 50 EFAA O=C(c1cnn2c1CCCC2)N1CC(c2nc(-c3ccccc3)no2)C1 886546228 ANPHAOHEORVOHK-UHFFFAOYSA-N 349.394 2.509 0 50 EFAA COc1ccc(C[C@H](C)CN2CC(c3cc(CO)on3)C2)cc1F 888078906 IIRRWYQLYLXNOE-LBPRGKRZSA-N 334.391 2.593 0 50 EFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]1C(F)(F)F 888096626 NBHFXAFUINGZCQ-ZIAGYGMSSA-N 327.350 2.607 0 50 EFAA Cc1c(C(=O)NCc2cnn(CCF)c2)ccn1Cc1ccccc1 888335390 YOOPZHQRXIRDRD-UHFFFAOYSA-N 340.402 2.941 0 50 EFAA O=C(NCCn1cccn1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 893013889 NNZWUVONYHMOBA-IBGZPJMESA-N 338.411 2.533 0 50 EFAA O=C(c1cc(C(F)F)[nH]n1)N1CCCN(Cc2ccsc2)CC1 981930697 QFQXFIWFZGMZRP-UHFFFAOYSA-N 340.399 2.757 0 50 EFAA CC(C)Cc1coc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)n1 899953386 BMECSJIWWFXWIL-GFCCVEGCSA-N 327.384 2.856 0 50 EFAA COc1cc2c(cc1C(=O)N1CC[C@](O)(C3CC3)[C@@H](C)C1)CCC2 1565515904 WJXZCITZDWWFGX-RNODOKPDSA-N 329.440 2.807 0 50 EFAA O=C(CCn1cccn1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275788570 UAIBGTHHCAKKQV-INIZCTEOSA-N 344.484 2.506 0 50 EFAA C[C@H]1c2nncn2CCN1C(=O)c1cc(F)c(Cl)cc1Cl 276792551 JNIDUESYLQPTHG-ZETCQYMHSA-N 329.162 2.941 0 50 EFAA O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc[nH]n1 278207679 CZURJARSSFPFQE-UHFFFAOYSA-N 339.317 2.864 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N2C[C@H](O)C(C)(C)C2)c2c1CCC2 279463441 WFVDBBWBFNVVIF-KRWDZBQOSA-N 339.439 2.512 0 50 EFAA O=S(=O)(Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cn1 170926092 GAOSVCIYMOGGTP-UHFFFAOYSA-N 343.763 2.715 0 50 EFAA COCc1c(C(=O)NO[C@H](CO)C(C)C)sc2cccc(F)c12 408520633 PARBZOXAINEXKQ-GFCCVEGCSA-N 341.404 2.865 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225537997 QKUNQQJHYVEJDQ-CABCVRRESA-N 329.327 2.503 0 50 EFAA O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 188435535 UXOOJIHZEKXGIU-UONOGXRCSA-N 342.892 2.899 0 50 EFAA CC[C@@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)c1ccncc1 189248069 LMQPBBJKSJKRMN-CVEARBPZSA-N 345.472 2.766 0 50 EFAA CCOC(=O)[C@H](C)N(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 189329468 ASXZFAUEMZSCFS-ZETCQYMHSA-N 333.281 2.799 0 50 EFAA O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1csnn1 194502894 WLFILZYIHURMFP-UHFFFAOYSA-N 325.397 2.990 0 50 EFAA O=C(O)[C@H]1C[C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2ccccc21 653333417 OTAWSXGYTHOXSE-XOKHGSTOSA-N 337.375 2.667 0 50 EFAA CC(C)Cc1ncc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cn1 653544668 GZDAAMPNMUXPMQ-FPMFFAJLSA-N 348.447 2.932 0 50 EFAA Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c(C)o1 656643694 ISWBVWXAZMVTOS-CYBMUJFWSA-N 335.381 2.664 0 50 EFAA CCN(C(=O)c1cn([C@@H]2CCCNCC2)nn1)[C@H]1CCCC[C@@H]1C 662788608 MWGPMPVHEJKWBT-UXLLHSPISA-N 333.480 2.634 0 50 EFAA Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1CCc1cccc(O)c1 1506405546 JSECYQZHCFYLKO-INIZCTEOSA-N 340.423 2.927 0 50 EFAA Cc1ccc(F)c(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1F 1529195510 LKPKCBKTJJCGSQ-QAPCUYQASA-N 338.398 2.644 0 50 EFAA O=C(COc1ccccc1F)N1CCN(c2ccccc2F)CC1 13745777 PMEUSTSPKRUMOH-UHFFFAOYSA-N 332.350 2.692 0 50 EFAA COc1cc(S(=O)(=O)N2CCCC2)c(C)cc1Br 16579260 IVWPCTAPHVAISM-UHFFFAOYSA-N 334.235 2.551 0 50 EFAA Fc1ccc2[nH]c([C@H]3CCCCN3CCCn3cncn3)nc2c1 19730658 FFBSSJOWURDTIE-MRXNPFEDSA-N 328.395 2.911 0 50 EFAA O=C(c1ccccc1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857712311 IHNSIGUEIOVSIU-UEXGIBASSA-N 348.402 2.601 0 50 EFAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc1C 1857719407 LWKQURYAZDBDTA-BZSNNMDCSA-N 329.444 2.677 0 50 EFAA O=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2[C@@]12CCNC2 1875243595 OCFCALCLDRGVEW-NRFANRHFSA-N 344.418 2.650 0 50 EFAA Cc1nscc1C(=O)N1CCC[C@@H]1C(=O)NCC1CCCCC1 225569528 LGONPWBPIJKASI-OAHLLOKOSA-N 335.473 2.753 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC1CCCCC1 2555003 DVTMNTVXXIJGMR-LBPRGKRZSA-N 329.393 2.620 0 50 EFAA in-vitro CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCc2cccc(F)c2F)C1 644119563 VLZCFFJMYLURNP-OCCSQVGLSA-N 335.354 2.609 0 50 EFAA Cc1c(C(=O)N(C)C[C@@H](C)C(=O)O)cnn1-c1ccccc1Cl 237585391 RHBVWHGQJAQVSW-SNVBAGLBSA-N 335.791 2.627 0 50 EFAA O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc(-c3ccco3)o2)C1 246632088 JBKVJLRKIWGSIP-FZMZJTMJSA-N 347.321 2.916 0 50 EFAA c1nc(NCCCN2CCOCC2)c2c3c(sc2n1)CCCC3 19300382 IAHMARGGZULNOX-UHFFFAOYSA-N 332.473 2.704 0 50 EFAA CCO[C@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 253429066 AYDPQAFGJIJIAY-SNVBAGLBSA-N 331.338 2.626 0 50 EFAA CCc1nc([C@@H]2CCCN2C(=O)c2ccc(OC(C)C)nc2)no1 363624564 HGGAWMSZEVVXNK-ZDUSSCGKSA-N 330.388 2.792 0 50 EFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1cc(Cl)ccc1Cl 263079813 ZAHWGJKJVLAZNB-LBPRGKRZSA-N 346.210 2.851 0 50 EFAA Cc1nc(CN2CCC(CNc3ncnc4[nH]ccc34)CC2)oc1C 264737604 KADQAEVUDMHLFO-UHFFFAOYSA-N 340.431 2.887 0 50 EFAA Cc1cc(C)n(Cc2nnc(N[C@H]3CCOc4ccccc43)o2)n1 849159604 MORASCGQJWNSJG-AWEZNQCLSA-N 325.372 2.867 0 50 EFAA CCc1cc(CC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)n(C)n1 828775463 GYWJYVKSDCJPLB-AWEZNQCLSA-N 343.475 2.778 0 50 EFAA CC(C)CN1N=C(C(=O)N2CC(c3cccc(Cl)c3)C2)CCC1=O 839785319 VULKDBLYHFOLLS-UHFFFAOYSA-N 347.846 2.900 0 50 EFAA Cc1csc2ncnc(N3CCO[C@@H](c4noc(C5CC5)n4)C3)c12 840252918 ICQGJEHEVJRISC-LLVKDONJSA-N 343.412 2.838 0 50 EFAA CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)cc1 96793225 YQVBFOCKVFHOFJ-MRXNPFEDSA-N 328.343 2.968 0 50 EFAA CCn1ncc(CNC[C@@H]2CCCCN(Cc3ccccc3)C2)n1 839108761 KSAREOHSHABPKX-SFHVURJKSA-N 327.476 2.690 0 50 EFAA O=C(c1csc2ccccc12)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2100542897 JQPHQVMKBYUXOC-FHIHXZLISA-N 329.421 2.513 0 50 EFAA O=C(O)C[C@@H]1CC[C@@H]2CN(c3cc(NC4CC4)ncn3)CC[C@H]2C1 2325777265 QHLOKVMEFSRLKJ-HZSPNIEDSA-N 330.432 2.768 0 50 EFAA COc1cc(F)c(NC(=O)C[C@H]2CCCNC(=O)C2)cc1Cl 2325783364 SLPVSYYVVVROSZ-VIFPVBQESA-N 328.771 2.733 0 50 EFAA O=C(COC[C@H]1CCCO1)N1CCC[C@H]1c1cc(F)cc(F)c1F 2325783750 ZBOGHSZPTNTXCN-DOMZBBRYSA-N 343.345 2.963 0 50 EFAA CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 154980 ONUFESLQCSAYKA-UHFFFAOYSA-N 330.171 2.880 0 50 EFAA endogenous,in-man COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1Cl 229160 VMMIISZGJWRIQB-UHFFFAOYSA-N 333.837 2.922 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[C@H](c2ccccc2)C1 385601 GLEZOJKQRIHDTN-INIZCTEOSA-N 348.402 2.689 0 50 EFAA CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C 617678 GYZILCDSSLXKTB-UHFFFAOYSA-N 330.359 2.892 0 50 EFAA CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1 1054801 PORQYYYLEXKYNY-UHFFFAOYSA-N 348.424 2.937 0 50 EFAA CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 1074983 HWQCJLPIZWUJEX-UHFFFAOYSA-N 339.800 2.810 0 50 EFAA O=C1CCc2cc3c(cc2CCc2cc(ccc2O)CCN1)OCO3 2356160395 QEMJHYSXEAPXNY-UHFFFAOYSA-N 339.391 2.511 0 50 EFAA O=C(CCSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 2876771 UMBUOEWOJSSRAS-UHFFFAOYSA-N 344.436 2.746 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc4ccccc4n3)C[C@H]21 2356170807 BZJORGOAHQQAHS-KSMMKXTCSA-N 325.412 2.643 0 50 EFAA Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)NCc3ccccc3)cc12 4626551 OTHPCDDWWLQOQB-UHFFFAOYSA-N 342.420 2.623 0 50 EFAA CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4819457 USHDDGMMOFGXJB-XNTDXEJSSA-N 339.347 2.749 0 50 EFAA O=C(O)CCC(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 6526489 UOIZXBHQIIXOGO-UHFFFAOYSA-N 327.296 2.800 0 50 EFAA COCc1nnc2n1N=C(c1ccc(Br)cc1)CS2 8400987 JTGWOAKQWLIMDF-UHFFFAOYSA-N 339.218 2.545 0 50 EFAA Cc1cccnc1C[C@H](C)NC(=O)c1cn2c3c(cccc3c1=O)CC2 55054655 DLPXFGLNQGWYFA-AWEZNQCLSA-N 347.418 2.622 0 50 EFAA CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1nnc2n1CCCC2 135278882 GOWILWRZIXYWRP-HIFRSBDPSA-N 334.464 2.920 0 50 EFAA COCCN1C[C@@H](c2nc(-c3cccc(OC(C)C)c3)c[nH]2)CC1=O 20513584 YJWPQOHDYXBFHG-HNNXBMFYSA-N 343.427 2.826 0 50 EFAA Clc1cccc(-c2noc(CN3CCN(CC4CC4)CC3)n2)c1 20321522 CXXGQARBJGRWIX-UHFFFAOYSA-N 332.835 2.918 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 136139089 UQMOHXMVRODKDK-JTQLQIEISA-N 334.372 2.886 0 50 EFAA Nc1cc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)ncn1 67842001 LIGURHXRJREEAT-UHFFFAOYSA-N 329.310 2.555 0 50 EFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)NCc4ccccc4)c(=O)n1c23 170624674 JSWJJWCCMCATNL-GFCCVEGCSA-N 334.375 2.754 0 50 EFAA Cc1cc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)nc(N(C)C)n1 252481842 CTPPZAKXRYRXGK-HNNXBMFYSA-N 345.878 2.873 0 50 EFAA COCc1ncsc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C 425612272 UMBVTKWMFFBVNO-CQSZACIVSA-N 345.468 2.813 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NCc2ncccc2C(F)(F)F)CCO1 328636682 OEZKXRVBBVPKHD-XHDPSFHLSA-N 340.349 2.844 0 50 EFAA CC(=O)Nc1cc(C(=O)NC2(C(=O)O)CCC(C)CC2)ccc1F 236684822 QJFZRYBITFJECE-UHFFFAOYSA-N 336.363 2.547 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3cc(-c4cccs4)on3)C2)n1 329102264 ZYWYVPWJGYWLOW-SNVBAGLBSA-N 330.369 2.724 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccn(-c2ccccc2)n1 253393905 GLTPIJNXLOKIFF-XYPHTWIQSA-N 339.395 2.730 0 50 EFAA CC1=C(c2ccco2)CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 253392185 QURNZWKKYHWCKF-RDTXWAMCSA-N 346.452 2.739 0 50 EFAA O=C(O)Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 4618181 HMGFSURUUUKBBF-UHFFFAOYSA-N 330.365 2.851 0 50 EFAA CC1=NN(C(=O)CSCc2cccc(F)c2)[C@@](O)(C(F)F)C1 6395215 KZCBEXDPXVTGCX-AWEZNQCLSA-N 332.347 2.621 0 50 EFAA O=C(c1ccc(F)cc1F)N1CCN(c2cccc(F)c2)C(=O)C1 360358033 BILBXUYNGLYSAQ-UHFFFAOYSA-N 334.297 2.593 0 50 EFAA CCc1cc(=NC(=O)N2CCC[C@H]2C(C)(C)O)c2ccccc2[nH]1 333945842 UBIVLHZEPXDCCV-KRWDZBQOSA-N 327.428 2.986 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccccc1[C@H]1CCNC1 72147337 CNDSFEYQXWDWOD-AWEZNQCLSA-N 338.455 2.638 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1ccc(CO)cc1 72476673 XJANBNZQPWXSMR-UHFFFAOYSA-N 335.407 2.566 0 50 EFAA CCn1cc(CN[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)cn1 343396711 IMFMUTDLYVYTGF-ROUUACIJSA-N 337.427 2.709 0 50 EFAA CSC[C@H]1CCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 157273306 XPWWHSZCNRALSY-SECBINFHSA-N 325.434 2.958 0 50 EFAA O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NC1CC1 13593897 CIMCODANGDAXPB-UHFFFAOYSA-N 339.317 2.890 0 50 EFAA Cc1cc(N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)nc(N)n1 72153159 SKKYKYFXJULBRM-INIZCTEOSA-N 347.422 2.733 0 50 EFAA CC[C@H](C(=O)OC)N(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 241942315 ULNWMELXRPIDLX-YESZJQIVSA-N 341.411 2.508 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 72438095 PIDORPFVJVEHAH-ZDUSSCGKSA-N 347.415 2.718 0 50 EFAA C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[C@@H]2CCC(F)(F)C2)C1=O 242284624 YIGMBHWUQSSJNE-VXGBXAGGSA-N 336.338 2.974 0 50 EFAA Cc1cnn([C@@H]2CCN(C(=O)Nc3ccc(OC(F)F)cn3)C2)c1 455525068 CDFXYPLZMKQZEY-LLVKDONJSA-N 337.330 2.667 0 50 EFAA CC(C)c1noc(-c2ccc(NCCCN3CCC[C@H](O)C3)nc2)n1 72436504 AIFGGMHRZJHDBQ-HNNXBMFYSA-N 345.447 2.514 0 50 EFAA CCc1ccccc1C(=O)N[C@@H](C(=O)O)c1ccc(OC)cc1OC 455928673 MQUQZBOFVZBEFT-QGZVFWFLSA-N 343.379 2.822 0 50 EFAA CC(C)(C)OC(=O)c1cnc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cn1 456240097 CKBIVCILXADKBO-CZUORRHYSA-N 343.427 2.693 0 50 EFAA CCc1nccn1CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 219916897 BJSZZLIMDHPRDO-SFHVURJKSA-N 340.471 2.616 0 50 EFAA CCCn1cc(-c2ccnc(N[C@@H](C)c3cnn(C)c3)n2)c(C)n1 48235852 XMPMXLVKPMORLG-LBPRGKRZSA-N 325.420 2.965 0 50 EFAA CCc1c(C)sc(NC(=O)C[C@H](C)CC(=O)O)c1C(=O)OC 17067028 JJVNGDPCRYSJTO-QMMMGPOBSA-N 327.402 2.845 0 50 EFAA COc1ccc([C@@H](CN(C)C)NCc2cnn(CC(F)F)c2)cc1 292611292 ICAHYINCEYRXGP-MRXNPFEDSA-N 338.402 2.549 0 50 EFAA CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)no1 179664611 ZCNMVQHHFIZMKS-UHFFFAOYSA-N 341.411 2.833 0 50 EFAA Cc1ccc([C@]2(C(=O)NCCN3CCCOC3=O)CC2(C)C)cc1 426700105 WFIDYKCCLXAEBW-IBGZPJMESA-N 330.428 2.621 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 49758439 BLMLSTOHNQMSFO-AWEZNQCLSA-N 338.411 2.602 0 50 EFAA CN(C/C=C/c1ccccc1)C(=O)Cn1nccc1[C@H]1CCCNC1 426387778 AVCRABMTXMRWJA-YOCVDRLZSA-N 338.455 2.522 0 50 EFAA O=C(NCCc1ccccc1F)N1CCN(C2CCCCC2)C(=O)C1 426373619 NDPGLSMFVPBXNH-UHFFFAOYSA-N 347.434 2.555 0 50 EFAA CC(=O)c1sccc1-c1ccc(C(=O)N2CCNC(=O)[C@H]2C)cc1 426489635 LKVRWAWFQWVZDH-LLVKDONJSA-N 342.420 2.578 0 50 EFAA O=C(NCc1cncn1C1CC1)c1cnc(-c2cccs2)nc1 426503650 ZWHYTGSSJBBUOM-UHFFFAOYSA-N 325.397 2.667 0 50 EFAA CCn1nc(C)c(CC(=O)Nc2ccc3c(c2)NC(=O)CC3)c1C 293333938 LWKFNSOZYLRZON-UHFFFAOYSA-N 326.400 2.586 0 50 EFAA CC(=O)c1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)n(C)c1 91664835 ZTYROZGPKZOAOL-RBUKOAKNSA-N 340.423 2.836 0 50 EFAA Cc1nccn1CCCC(=O)N1CC(Oc2ccccc2Cl)C1 95377194 FDCLRPPPDQBLND-UHFFFAOYSA-N 333.819 2.915 0 50 EFAA COC[C@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 92077150 ITMILKDKBQMDCC-CQSZACIVSA-N 329.400 2.726 0 50 EFAA Cc1ccc(CNC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 91645407 IRPHHWCGPSEJMC-UHFFFAOYSA-N 329.444 2.539 0 50 EFAA O=C(c1cncc(Cl)c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 295978580 IYVZVWINRZUEAX-SFHVURJKSA-N 348.805 2.941 0 50 EFAA O=C(N[C@H]1CCO[C@@H](c2cccnc2)C1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 297163030 VHXWOBINONWPNB-PVRJCICLSA-N 339.439 2.765 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1c(F)cccc1Cl 244794815 QUEBNEISOOHVEU-XEZPLFJOSA-N 348.805 2.986 0 50 EFAA C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 268977089 KGQWPNCYGWVIOR-GXFFZTMASA-N 345.317 2.511 0 50 EFAA CCOc1ccc(Cl)cc1-c1cc(N)nc(N2CCOCC2)n1 534587829 XHFSJGKNLXVCEM-UHFFFAOYSA-N 334.807 2.615 0 50 EFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)nc3)C2)n1 299758366 PBPAFGVCCCCHME-LLVKDONJSA-N 347.806 2.951 0 50 EFAA Cc1cc2n(n1)CCCN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)C2 299760440 HSPHGJFFPAVUTI-CYBMUJFWSA-N 326.400 2.953 0 50 EFAA Cc1cc2n(n1)CCCN(C(=O)Nc1ccc3c(c1)C[C@H](C)O3)C2 299760441 HSPHGJFFPAVUTI-ZDUSSCGKSA-N 326.400 2.953 0 50 EFAA O=C(Cc1ccc(NC(=O)c2ccncc2Cl)cc1)NC1CC1 827848729 WRTIXBMJFDTTER-UHFFFAOYSA-N 329.787 2.808 0 50 EFAA Cc1ccc(C)c(-n2nc(CC(N)=O)nc2[C@H](O)C2CCCCC2)c1 826842285 OWPTUXVHMTVVIR-GOSISDBHSA-N 342.443 2.526 0 50 EFAA CCCCn1nc(C)nc1C1CCN(C(=O)c2ccncc2)CC1 822888924 YUTOIGHGCQXNLW-UHFFFAOYSA-N 327.432 2.801 0 50 EFAA Cc1ccc(Cc2nc(C(=O)NC3(c4ncon4)CC3)cs2)cc1 952995808 ZTFRAFOKYUBRDO-UHFFFAOYSA-N 340.408 2.844 0 50 EFAA CC(C)[C@H]1CC[C@H](C(=O)N2CCCN(C(=O)c3ncc[nH]3)CC2)CC1 940975308 RNJUNFSCXMPHRH-WKILWMFISA-N 346.475 2.547 0 50 EFAA COCc1cccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)c1 886035918 RXIOCPOHIPOHMN-JKSUJKDBSA-N 344.377 2.864 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 275233424 AXHHIPMVNNDOBX-OASPWFOLSA-N 347.440 2.512 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)no1 275669314 LMIPFSMQVGESFF-MRXNPFEDSA-N 343.431 2.896 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)n1 275711260 YHECAYBPQDWBKT-SQWLQELKSA-N 342.443 2.796 0 50 EFAA COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc([S@](C)=O)cc1 170591428 VXYHPFBJOOHMGJ-UUOWRZLLSA-N 343.448 2.696 0 50 EFAA CCc1ccc(C(=O)N2CCN(C(=O)c3ccnc(C)c3)CC2)cc1 279094043 WOBHQSWNWHULCD-UHFFFAOYSA-N 337.423 2.551 0 50 EFAA CN(c1nnc(C2CC2)s1)C1CCN(CCc2ccccn2)CC1 170604173 DLSGTPATXIJNCX-UHFFFAOYSA-N 343.500 2.954 0 50 EFAA Cc1cccc(-n2ccnc2S(=O)(=O)Cc2ccn(C(C)C)n2)c1 172141603 TYSPQYNYDFQLPY-UHFFFAOYSA-N 344.440 2.932 0 50 EFAA FC(F)(F)c1nnc2ccc(N3CCC(c4ccncc4)CC3)nn12 302773019 CYCROAGAXMFKNB-UHFFFAOYSA-N 348.332 2.922 0 50 EFAA CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)n(C)n1 635728131 QGDJVCQQIAHMSR-ZDUSSCGKSA-N 333.819 2.929 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2cccc3c2CCC3)CCO1 408474152 HWELNVAZUBIQIK-RDTXWAMCSA-N 325.412 2.559 0 50 EFAA COc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 408519863 JCIZOBKLFWNFKR-MJGOQNOKSA-N 329.371 2.635 0 50 EFAA CC1=C(Br)CN(c2ccc(-n3ccc(C)n3)nn2)CC1 408515489 ZGOAMXXSPXKQHM-UHFFFAOYSA-N 334.221 2.850 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 221735754 OHOWLKVKHNHAGE-AJAPIDPKSA-N 333.407 2.898 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2cc(Cl)ncn2)CC1 225419857 CLKRSMPZGIZCNE-LSDHHAIUSA-N 342.830 2.582 0 50 EFAA COC(=O)c1cnccc1NS(=O)(=O)c1cccc(C(C)C)c1 225695375 JXIAQOPBGZFGGK-UHFFFAOYSA-N 334.397 2.792 0 50 EFAA CCn1cc([C@@H]2CN(C(=O)N[C@@H](C)Cc3cccs3)CCO2)cn1 191039986 IDTZVRCGNPFNAN-BBRMVZONSA-N 348.472 2.679 0 50 EFAA COc1cccc2c1CC[C@@H](NCc1nncn1-c1ccccc1)C2 192439055 HUVDOXCUFJGEIN-MRXNPFEDSA-N 334.423 2.923 0 50 EFAA Cc1cc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)c(C)s1 192894680 WMZMNPKCWJSJLR-PTOFAABTSA-N 348.390 2.999 0 50 EFAA COc1ccc(C2(C(=O)N3CCC(=O)[C@H](C)C3)CCCC2)cc1OC 193926241 VCMAWYWMFKNELI-CQSZACIVSA-N 345.439 2.953 0 50 EFAA CC(=O)c1cc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)ccc1C 194370195 DMQZAGLZYFJIDG-CRAIPNDOSA-N 333.453 2.982 0 50 EFAA O=C(Nc1nc(C(F)(F)F)co1)[C@H]1CC(=O)N(C2CCCCC2)C1 653840310 NXUBGVFWBJEZSC-VIFPVBQESA-N 345.321 2.813 0 50 EFAA O=C(CCCn1ccccc1=O)N1CC[C@@H](c2c(F)cccc2F)C1 769407345 OODUSCHMWGCGRH-CQSZACIVSA-N 346.377 2.923 0 50 EFAA C[C@@H](NCc1cccc(OCCN2CCCCC2)c1)c1nncn1C 1506425821 SAJNIDMSTAPITR-MRXNPFEDSA-N 343.475 2.531 0 50 EFAA COc1ccccc1/C=c1\sc2nnc(-c3ccc(C)cc3)n2c1=O 82921 WSSONZHSVINBMP-WJDWOHSUSA-N 349.415 2.683 0 50 EFAA CCC[C@H]1COC[C@H]2CN(C(=O)C(C)(C)Nc3ccccc3)CCN12 1529153786 VEWQCWPMVAFWQH-ZWKOTPCHSA-N 345.487 2.589 0 50 EFAA CCc1nn(C)c(NC(=O)[C@@H](c2ccccc2F)N(C)C)c1CC 1529167419 IWYGFVRMOFQVRM-MRXNPFEDSA-N 332.423 2.925 0 50 EFAA O=C(c1cccnc1NCCCNc1cccnc1)N1CCCC1 1529161377 GVRSEBNNLHURBY-UHFFFAOYSA-N 325.416 2.627 0 50 EFAA Cc1ccccc1N1CCCN(c2nc(C)c(C)cc2C(N)=O)CC1 1529159944 VCWCOXFVKATZJW-UHFFFAOYSA-N 338.455 2.822 0 50 EFAA CCc1cc(NCc2cccc(C(=O)NC)c2)nc(N2CCCC2)n1 1704354083 ZIHKELFBCDDHBG-UHFFFAOYSA-N 339.443 2.611 0 50 EFAA CC[C@H](CNc1noc(-c2ccccc2)c1C(=O)O)N1CCOCC1 1704333706 FEHZOYDMWRUTFG-CQSZACIVSA-N 345.399 2.563 0 50 EFAA O=C(CCC(F)(F)F)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616083856 OCYVSKSSUMDGNV-GJZGRUSLSA-N 342.361 2.613 0 50 EFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775980657 GMGALEVKNVCASV-QDMKHBRRSA-N 334.847 2.783 0 50 EFAA CCOc1cc(C)c(CN2CC[C@]3(CNC(=O)CO3)C2)cc1C(C)C 1772813559 HQFOQYDZDNPIGG-FQEVSTJZSA-N 346.471 2.608 0 50 EFAA COC[C@H](NC(=O)c1c(Cl)ccc2ncccc12)c1ccnn1C 1775980401 AICVNNLSZHUEED-AWEZNQCLSA-N 344.802 2.739 0 50 EFAA O=S1(=O)C[C@@H]2Sc3nc(-c4ccc(Cl)cc4)cn3[C@@H]2C1 5009550 FDLFVVXHBPTOQI-NEPJUHHUSA-N 326.830 2.647 0 50 EFAA CCN1C[C@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)CC1=O 12195001 HQYNXIKJGNBISE-LBPRGKRZSA-N 348.834 2.690 0 50 EFAA O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)c1cccs1 12279097 GINGDFMVTJDAAN-AWEZNQCLSA-N 337.404 2.939 0 50 EFAA COCCc1nc2ccc(C(=O)N3CCC[C@@H](CCCO)C3)cc2o1 12588640 VXELDQGQKUKBHF-AWEZNQCLSA-N 346.427 2.641 0 50 EFAA COCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCC(C)C)C3 14989394 HSHPMTQUPPPAQS-ZDUSSCGKSA-N 349.500 2.597 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C 19757663 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CCc1ccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)s1 20601424 HDUUGAMOQIYLLV-CYBMUJFWSA-N 334.489 2.868 0 50 EFAA CC(C)Oc1cc(N[C@H](C)c2nncn2C2CCCC2)nc(N)n1 65503315 DHZPVTHJHYYRQZ-LLVKDONJSA-N 331.424 2.726 0 50 EFAA COc1ccc([C@H](NCc2ccnc(N(C)C)n2)C2CC2)c(F)c1 421837148 PWGBQGUFTDNZQS-QGZVFWFLSA-N 330.407 2.931 0 50 EFAA Cc1cccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 20661266 CDWCQVPKFXFAKA-IBGZPJMESA-N 347.418 2.941 0 50 EFAA CCCN1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 27520809 KBYRJQLFUMUNLE-IBGZPJMESA-N 339.435 2.950 0 50 EFAA O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 23399754 LKKYKHHEUPNTLX-ZDUSSCGKSA-N 343.452 2.730 0 50 EFAA CC[C@H](Nc1ncnc2sc3c(c12)CCNC3)c1ccnn1C 65427058 PBEBLQFORKWAON-NSHDSACASA-N 328.445 2.634 0 50 EFAA CS[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 229950709 CIXYGYWBULFOHL-DUVNUKRYSA-N 345.472 2.912 0 50 EFAA COc1ccc(OC)c2c1CN(Cc1ccc3cn[nH]c3c1)C[C@@H]2O 121084569 IDHFDWNFDMQGCX-INIZCTEOSA-N 339.395 2.629 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Nc2cc(C3CCCC3)nn2C)n[nH]1 121488710 GZWZQABKPDLMAD-NSHDSACASA-N 330.436 2.862 0 50 EFAA CS(=O)(=O)c1nnc(CN2CCC[C@H]2/C=C/c2ccccc2)s1 328586838 STSDLKMKLVHDRM-HBWSCVEGSA-N 349.481 2.619 0 50 EFAA CCCC[C@@H](C)C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 253397556 WGIQFRHVTSPCRJ-ZIAGYGMSSA-N 332.448 2.548 0 50 EFAA COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(CO)o3)C2)c1 12612605 YCJNLUSZLGMRDW-FQEVSTJZSA-N 345.439 2.598 0 50 EFAA CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 253419908 LOOCGQFYNQWSPS-QWHCGFSZSA-N 349.374 2.502 0 50 EFAA CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)[C@H]2C1 253425985 DRQWYKAXILVREL-QAPCUYQASA-N 343.471 2.854 0 50 EFAA Cc1cccc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)c1 2800062 HDURGLWNWRHFRM-UHFFFAOYSA-N 338.367 2.504 0 50 EFAA Cc1ccc(-c2nnc(Sc3ncnc4c3CN(C)CC4)o2)cc1 253426320 SPNWHJOWNSGWKX-UHFFFAOYSA-N 339.424 2.974 0 50 EFAA Cc1noc([C@H]2CCN([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)n1 329055101 SGZHZLOVEHRBKG-ZFWWWQNUSA-N 328.416 2.811 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 71589454 ZPKDFWYRRDRFKN-LBPRGKRZSA-N 325.478 2.955 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]1CC1CCCCC1)[C@@H]1CN(C)CCO1 152479920 ADLQUZPMHTXOAQ-JQHSSLGASA-N 337.508 2.850 0 50 EFAA C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccncc1Br 152703272 VIBKMQOZDXOQMD-JTQLQIEISA-N 335.201 2.911 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)Cc1ccc(F)cc1 155625953 KKKDONWXJRJYEK-UHFFFAOYSA-N 329.375 2.547 0 50 EFAA CC(C)OC(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77484791 ZTFDADKEAJWEOE-UHFFFAOYSA-N 349.479 2.525 0 50 EFAA CCc1n[nH]c(SCC(=O)N2CC[C@H](c3ccc(F)cc3)C2)n1 77460088 KSRCWMLSAHIZCY-LBPRGKRZSA-N 334.420 2.614 0 50 EFAA Cc1ccc([C@@H](C)CCN2CCC(C(=O)O)(n3ccnc3)CC2)o1 72429734 UAKFTAULNOYXNB-AWEZNQCLSA-N 331.416 2.854 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)cc1 261721900 QVNMAXZAIMKGRR-HNNXBMFYSA-N 346.452 2.554 0 50 EFAA C=CC(=O)NCCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 490645032 KMIKFHPNTOPCDY-AWEZNQCLSA-N 346.818 2.572 0 50 EFAA O=C1N[C@H](CC2CC2)C(=O)N1c1ccc2c(c1)nc1n2CCCCC1 333613052 HBRSCEIFXNEROU-OAHLLOKOSA-N 338.411 2.988 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 13324357 QSVWAUAYOCNLAE-UHFFFAOYSA-N 340.427 2.830 0 50 EFAA CCc1nccn1CCC(=O)N(C)Cc1ccc(-n2cccn2)cc1 72473054 STKGPGZXDBMXQB-UHFFFAOYSA-N 337.427 2.680 0 50 EFAA O=C(NCCc1ccccn1)c1ccc2nc(C(F)(F)F)[nH]c2c1 218394168 KKIWRVSTWVRROT-UHFFFAOYSA-N 334.301 2.949 0 50 EFAA CCc1ocnc1C(=O)N1CC[C@@H](Cc2ccc(C(=O)O)cc2)C1 72473499 ZNXTWMDLBGOSNO-ZDUSSCGKSA-N 328.368 2.640 0 50 EFAA C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 285725319 XFKLIBHYIBITQP-ABAIWWIYSA-N 348.340 2.932 0 50 EFAA COCc1ccc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)o1 216391900 RQIYPXOWNYAERS-IGDFAFLASA-N 333.428 2.876 0 50 EFAA Cc1noc2ncnc(N3CCC[C@@H](Oc4ncccc4F)C3)c12 241439835 NMPNLSGADWYRLV-LLVKDONJSA-N 329.335 2.508 0 50 EFAA Cc1nonc1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72435258 DXASFLWYDUQXCY-ZDUSSCGKSA-N 329.335 2.761 0 50 EFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 179006379 KBPONLPJTKEQLM-SYTKJHMZSA-N 328.334 2.666 0 50 EFAA Cc1cccc(CCNC(=O)CCC(=O)N(C)C2CCCCC2)n1 222532344 QWJQXDKCRYBLIG-UHFFFAOYSA-N 331.460 2.620 0 50 EFAA COc1ncccc1CNC(=O)NC1CCN(C2CCCCC2)CC1 177348287 SJGHJYQCDGSILQ-UHFFFAOYSA-N 346.475 2.687 0 50 EFAA CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC[C@@H](c2ccn[nH]2)C1 229221487 ZHYNEJWYJYMVKD-SOUVJXGZSA-N 344.463 2.784 0 50 EFAA Cn1cc([C@@H](NCc2cnn(CC(F)F)c2)c2ccc(F)cc2)cn1 292741627 QSJPISNBTUVCFQ-KRWDZBQOSA-N 349.360 2.900 0 50 EFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cc(C)oc2C)cn1 223090916 YXFPGDWWNVEECS-SJORKVTESA-N 330.384 2.566 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N(C/C=C/c1ccccc1)CCCO 95374915 AHZSZNIZWSEOEE-YRVHBARZSA-N 330.472 2.785 0 50 EFAA O=C(Cn1ccccc1=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 426652985 QAHAPWKIUOLIKL-RDJZCZTQSA-N 328.387 2.515 0 50 EFAA CCCc1cc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)[nH]n1 91817501 HJYGUABKTLLCIK-INIZCTEOSA-N 328.416 2.579 0 50 EFAA COCCn1ccnc1C1CCN(c2ncnc3sccc23)CC1 91943917 GUDJWBPFYAIKTN-UHFFFAOYSA-N 343.456 2.918 0 50 EFAA COCC[C@]1(O)CCN(C(=O)NCc2ccc(Cl)cc2)C[C@H]1C 92022771 CYTGEJBPPITPPO-CXAGYDPISA-N 340.851 2.659 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(C(C)C)on1)C2 91382262 TZZBNFRWJZJZOT-LBPRGKRZSA-N 330.384 2.788 0 50 EFAA Cn1ccc(NC(=O)CN2CCCC[C@H]2CCc2cccc(O)c2)n1 244748785 OOGOLNZGLSCONS-INIZCTEOSA-N 342.443 2.552 0 50 EFAA Cc1ccc(Br)c(NC(=O)N2CC[C@H]([C@@H](C)O)C2)c1 183952310 HLIZCJXDTVFEIT-MNOVXSKESA-N 327.222 2.992 0 50 EFAA CCc1nn2c(c1C(=O)NCc1ccncc1)N[C@H](c1ccccc1)C2 263616006 GLKVOZZMGZLOJX-KRWDZBQOSA-N 347.422 2.937 0 50 EFAA Cn1ncnc1CCNC(=O)Nc1cccc2c3c(oc12)CCCC3 299770731 QUEFTGNAJYYCOH-UHFFFAOYSA-N 339.399 2.804 0 50 EFAA CCCc1ccc(CN2CCC(CNC(=O)c3cncn3C)CC2)o1 823010903 IEGJDLLQDFKAIR-UHFFFAOYSA-N 344.459 2.608 0 50 EFAA C=CS(=O)(=O)CCC(=O)Nc1cc(C)n(C2CCCCC2)n1 952879167 GZAZEEDUJWWXBZ-UHFFFAOYSA-N 325.434 2.584 0 50 EFAA CC(C)c1nc([C@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@@H]2C2CC2)n[nH]1 952849191 RBRZNXOKJBWJNZ-OLZOCXBDSA-N 331.395 2.661 0 50 EFAA Cc1cnn(Cc2ccc(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)c1 1875280501 PVMMSRUFWASSNI-SFHVURJKSA-N 349.438 2.983 0 50 EFAA CC[C@H](NC(=O)CNC(=O)c1ccc2n[nH]cc2c1)c1ccccc1 1875303397 SWRSAVIKVVNWKA-INIZCTEOSA-N 336.395 2.560 0 50 EFAA O=C([C@@H]1[C@H]2CCCCC[C@H]21)N1C[C@@H](Cn2cnnc2)C2(CCC2)C1 1875310223 JDZNJBMQYRZCGW-NCOADZHNSA-N 328.460 2.733 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1nc(-c2ccco2)sc1C 886718858 JMHYMYYFTOWZOE-ZDUSSCGKSA-N 347.440 2.746 0 50 EFAA CC(C)(CNC(=O)c1ccc(N2CCCC2)nc1)C1CCOCC1 887393781 QPPAVLSXJXTCTF-UHFFFAOYSA-N 331.460 2.864 0 50 EFAA COc1nccc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)n1 1775987885 IDFMARBNEYIFTD-UHFFFAOYSA-N 340.358 2.694 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)o1 1775959152 KVKKXYIMDXYWGL-COMQUAJESA-N 333.432 2.505 0 50 EFAA Cc1nnc(N[C@H]2CCOC[C@@H]2Oc2ccccn2)c2ccccc12 1565512443 XMHRATQYKXHWFM-IRXDYDNUSA-N 336.395 2.982 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@@H]([C@H](C)CC)C1=O 170592698 JWILUHNBLWPAOE-PBHICJAKSA-N 348.443 2.877 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccccc2Br)CCCO1 171322039 OQDVQXNJLUAKDD-LLVKDONJSA-N 327.222 2.770 0 50 EFAA O=C(O)C1CC(C(=O)N2CC(OCc3cccc4ccccc34)C2)C1 682703472 IQEDTNYBNRMMHC-UHFFFAOYSA-N 339.391 2.678 0 50 EFAA CC(C)c1nc([C@H]2CCCCN2C(=O)c2cccc(CO)c2)n[nH]1 408473715 JRJFJNMRDCUFEM-OAHLLOKOSA-N 328.416 2.788 0 50 EFAA Cc1n[nH]nc1C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 188761861 SXQWCLSKNSVMEY-QGZVFWFLSA-N 346.394 2.519 0 50 EFAA Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)co1 188733056 QIEUDDBTJGNDLZ-UHFFFAOYSA-N 328.368 2.621 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)Nc2c(C)ccn(C)c2=O)cs1 189104678 RVYWWNDYBDKEJR-CYBMUJFWSA-N 332.429 2.828 0 50 EFAA O=C(Nc1cccc(Cn2cnnc2)c1)c1c(F)ccc(F)c1F 225395652 NJKYYHVYMCOZFJ-UHFFFAOYSA-N 332.285 2.996 0 50 EFAA CC1=C(C(=O)NCc2cc3ccccc3o2)[C@@H](C)n2ncnc2N1C 192161902 KGRROWOVBMDCLO-GFCCVEGCSA-N 337.383 2.626 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)N1CC[C@H](c2ccccc2)C1 194664087 YBNJLDBFNIFMDB-SFHVURJKSA-N 347.422 2.966 0 50 EFAA O=C(Cc1ccc(Br)cc1F)N[C@H](CC1CC1)C(=O)O 659142780 QMRAPVZOAHLJHY-GFCCVEGCSA-N 344.180 2.500 0 50 EFAA O=C1CC2(CN(Cc3cccc4nc(O)oc34)C2)N1Cc1ccccc1 895826125 RGPFVHJOYFUBBL-UHFFFAOYSA-N 349.390 2.520 0 50 EFAA Cc1cc(C)n(C[C@@H](C)N2CCCN(C(=O)c3ccccc3)CC2)n1 1775980014 RYNVPKQITPYZTA-GOSISDBHSA-N 340.471 2.737 0 50 EFAA Nc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)cc1 11693024 NQTLXVKRIHKOSW-UHFFFAOYSA-N 331.738 2.894 0 50 EFAA Cc1ccn(CC(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)n1 11879153 MRMRIIFMPUXZIB-AWEZNQCLSA-N 334.370 2.573 0 50 EFAA CCOc1ccccc1C(=O)Nc1cccc(C(=O)NCCOC)c1 12138399 IXTKDOLARCJTPY-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA CN1CCC[C@]2(CCN(Cc3cc4c(cc3Cl)OCO4)C2)C1=O 12750780 FWFMPIUDJJTQES-QGZVFWFLSA-N 336.819 2.513 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1CCN(C2CCCCC2)CC1 13326416 CJLWBYZFAGCVMC-UHFFFAOYSA-N 330.428 2.548 0 50 EFAA CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)n2ncnc2N1 13551649 OINVORJROPVTAV-INIZCTEOSA-N 341.390 2.719 0 50 EFAA CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 13880782 JIYZBFFGIWXTCW-GQLYJEGOSA-N 347.392 2.851 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1ccc(N2CCCCO2)nc1 14958583 DYSZGAUTAGMVOT-UHFFFAOYSA-N 344.415 2.581 0 50 EFAA CCc1[nH]c2c(CNC(=O)CCN3CCCO3)cc(C)cc2c1C 15062737 FBMKCDBAUPDOGV-UHFFFAOYSA-N 329.444 2.991 0 50 EFAA C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 19900307 LDQJZSLRTTYGLX-ZDUSSCGKSA-N 342.892 2.659 0 50 EFAA Cc1ccc2nc(C(=O)N[C@H]3CCCc4c3c(C)nn4C)c(F)n2c1 1857667490 YMOGYBMSAKSVEJ-LBPRGKRZSA-N 341.390 2.631 0 50 EFAA CNC(=O)CCCn1cc(-n2ccnc2-c2cccc(C)c2F)cn1 1857696430 ZZRAFHGRABFHEZ-UHFFFAOYSA-N 341.390 2.710 0 50 EFAA Cc1c[nH]cc(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c1=O 416255526 IMAWJAVCBRYNGF-AWEZNQCLSA-N 332.350 2.809 0 50 EFAA CC(C)(O)CN1CCC[C@@H](c2nn(-c3ccccc3)cc2C(=N)O)C1 328602926 DEKBHYDMPLMMPI-CQSZACIVSA-N 342.443 2.706 0 50 EFAA COc1cccc(Oc2ccc(C(=O)N[C@H]3CCCN(C)C3)nc2)c1 648274323 YBCZXVLWYRWIME-AWEZNQCLSA-N 341.411 2.707 0 50 EFAA O=C(NCc1nncn1C1CC1)N[C@H](c1ccccc1)C(F)(F)F 133745949 JVTYZLXGRVXGGS-CYBMUJFWSA-N 339.321 2.716 0 50 EFAA CC(C)C[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)c(O)n1 668754931 QTWASWUTRYPCSJ-SNVBAGLBSA-N 332.322 2.693 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 136114861 FIBFODWAIXLBOM-LBPRGKRZSA-N 340.217 2.705 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc[n+]2[O-])C1 263839959 SFYCHWQPPFZHEZ-AWEZNQCLSA-N 345.830 2.538 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CCCN(c3ncc(Cl)cn3)C2)nc1 267040484 CQOLAOQHLPXTCX-LBPRGKRZSA-N 331.807 2.689 0 50 EFAA CC(C)c1ccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)nc1 900794979 DRZIKOBYYGBULO-UHFFFAOYSA-N 328.401 2.709 0 50 EFAA CCOc1ccc(Br)c(C(=O)Nc2nonc2C)c1F 903039900 CBKFPTVAKDQVEX-UHFFFAOYSA-N 344.140 2.931 0 50 EFAA C[C@]1(O)CCOC2(CCN(Cc3cc4ccccc4nc3O)CC2)C1 1704304428 FKKYOHIZUMUZMZ-IBGZPJMESA-N 342.439 2.836 0 50 EFAA COc1ccc(CC(=O)N[C@]2(c3ccccc3)C[C@H](O)C2)c(C)c1 829143966 ACNIMIBBNRGCCV-MSEWRSJXSA-N 325.408 2.713 0 50 EFAA Cn1ccc([C@H]2CCCN(C(=O)c3coc4cc(O)ccc34)C2)n1 830059945 ACLYZQCWDCKPTQ-LBPRGKRZSA-N 325.368 2.892 0 50 EFAA Cc1ncccc1CCNC(=O)N=c1cc[nH]c(C)c1Br 931016173 OYVTXMFNSFBMCJ-UHFFFAOYSA-N 349.232 2.642 0 50 EFAA Cc1nc2n(n1)C[C@@H](C(=O)NC(C)(C)Cc1ccccc1C)CC2 931832776 UWUPUPVWEULUMT-INIZCTEOSA-N 326.444 2.595 0 50 EFAA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 9089909 FDDAVTCWWRLPFJ-UHFFFAOYSA-N 332.406 2.952 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCC(OC(F)(F)F)CC1 2100483637 DBFDKNOQNCZERM-UHFFFAOYSA-N 325.290 2.771 0 50 EFAA C[C@]1(CC(=O)N2CCCN(Cc3ccccc3F)CC2)CCCO1 2325776318 UOVFBGDGBQMIEJ-LJQANCHMSA-N 334.435 2.819 0 50 EFAA NCCCn1ccc2cc(C(=O)N3C[C@@H](CO)c4ccccc43)ccc21 2325788168 QOVJEFXHONHWLF-KRWDZBQOSA-N 349.434 2.726 0 50 EFAA CC(C)c1nc(=O)n(C2CCN([C@@H]3CCCc4cccnc43)CC2)[nH]1 2325790805 MIBQAGAOOMLKDI-MRXNPFEDSA-N 341.459 2.804 0 50 EFAA OCC[C@H](NCc1nnc2n1CCCCC2)C1CCC(F)(F)CC1 2325790818 NMKUBVBRPCBGRG-AWEZNQCLSA-N 342.434 2.671 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(OC)c1 202286 PIOUVEPWVXDFJF-OAHLLOKOSA-N 346.408 2.518 0 50 EFAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1OC 291918 WAHUZCMYTOEZBZ-CQSZACIVSA-N 337.416 2.630 0 50 EFAA COc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)O)cc1 312306 YGHRYSXORQQDKJ-UHFFFAOYSA-N 330.365 2.520 0 50 EFAA O=C(COc1ccccc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 350759 FCAOAUIDNHIKDJ-DOMZBBRYSA-N 342.317 2.705 0 50 EFAA Nc1cc(N)nc(SCC(=O)Nc2cccc3ccccc23)n1 379438 IQEMLHBHEVNPOT-UHFFFAOYSA-N 325.397 2.525 0 50 EFAA COc1ccc(NC(=S)NCc2ccc(C(=O)O)cc2)cc1OC 2853876 ARFDOPASFGDXJB-UHFFFAOYSA-N 346.408 2.889 0 50 EFAA CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 2868683 NXYHTDCESYRJDK-UHFFFAOYSA-N 338.816 2.843 0 50 EFAA COc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 2891714 IJXGDJVQMUALJL-UHFFFAOYSA-N 332.787 2.646 0 50 EFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnnn1-c1ccccc1 3292697 TYXADEGBMQDSKO-CHWSQXEVSA-N 331.445 2.544 0 50 EFAA COc1ccc(-c2noc(CNC(=O)c3ccccc3F)n2)cc1 4839722 HCSHQGCHVWDESA-UHFFFAOYSA-N 327.315 2.814 0 50 EFAA NC(=O)COc1ccc(Br)cc1CNCc1ccccc1 4839733 AVPZLTLIEHWXHE-UHFFFAOYSA-N 349.228 2.603 0 50 EFAA COc1cc2c(cc1CN(Cc1cnn(C)c1)CC(C)C)OCO2 55387202 IYJLPBJDYFMJHZ-UHFFFAOYSA-N 331.416 2.816 0 50 EFAA C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc2c1=O 9058977 YHHLBAYAPNYXKV-JTQLQIEISA-N 343.770 2.543 0 50 EFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1cc(F)cc2nc(S)[nH]c12 247480603 QWYBXNCDDYWYCR-UFGOTCBOSA-N 335.404 2.678 0 50 EFAA NCCc1nc(NCCc2nc3c(s2)CCC3)c2ccccc2n1 65396186 KQEKILIZFRGIBW-UHFFFAOYSA-N 339.468 2.731 0 50 EFAA COCc1c(C(=O)N2CC[C@H](c3nc(C)no3)C2)oc2ccccc12 347404314 GSFCIRBRAUQOCK-LBPRGKRZSA-N 341.367 2.900 0 50 EFAA O=C([C@H]1CCCO1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67885466 FLLHQUSLPBUXRN-LJQANCHMSA-N 339.439 2.886 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(C(N)=O)cs1 136998532 HZMHJZBPAKXOQW-LBPRGKRZSA-N 344.436 2.706 0 50 EFAA CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cccs1 67602026 WKFVUJLDOURIIW-UHFFFAOYSA-N 341.439 2.680 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229372351 TYYCKCMLYDJANN-STQMWFEESA-N 330.881 2.662 0 50 EFAA COc1ccc2c(c1)CCN(C(=O)c1ccc(OC(F)F)cn1)CC2 438919880 KIXPICZZLOIYAM-UHFFFAOYSA-N 348.349 2.933 0 50 EFAA Cc1c(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)[nH]c2ccc(F)cc12 72119462 UERSJDCXRFCWBK-GOSISDBHSA-N 345.374 2.672 0 50 EFAA O=C(NCc1c(F)c(F)cc(F)c1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230157282 BCWHIGOPLUOWBR-CKLFPEKLSA-N 346.324 3.000 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1CCCn2nc(C(=O)O)cc2C1 65508965 KWFQYNXPQPSHQT-UHFFFAOYSA-N 348.428 2.516 0 50 EFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 253433348 VYWARDINPWPPFM-CABCVRRESA-N 344.419 2.754 0 50 EFAA O=C(CC[C@H]1CCOC1)NCCc1cnc(SC2CCCC2)nc1 357075020 NTUBVRDMEGWHAH-AWEZNQCLSA-N 349.500 2.987 0 50 EFAA CCc1cc(O)nc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 328625183 CXEMVUGGCZMFHP-INIZCTEOSA-N 341.459 2.694 0 50 EFAA Cn1ncc2c(N3CC(N4CCCCC4)C3)nc(C3CCCC3)nc21 72141982 JOVNNJSEAVQEQG-UHFFFAOYSA-N 340.475 2.695 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2c1 77469939 SCATZZZJRWKRRL-CQSZACIVSA-N 325.412 2.511 0 50 EFAA Cn1ccnc1[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 365633808 WTECUYHYMHMQOT-INIZCTEOSA-N 337.427 2.892 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N(C)[C@@H](C)C[S@](C)=O)cc12 157244539 BENGWOZNZCASBK-MLMJSJRWSA-N 341.502 2.597 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C)cc1 77555289 SQTMSPWPXHJVFS-FXAWDEMLSA-N 348.450 2.975 0 50 EFAA Cc1csc2c(N3CCC[C@]4(CC3)CN(C)C(=O)O4)ncnc12 72153819 ZHQPPBTZMURXMS-INIZCTEOSA-N 332.429 2.811 0 50 EFAA CC(C)c1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)n[nH]1 39537778 AZHDJHDLWIAHQY-LJQANCHMSA-N 348.535 2.982 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 237438463 TXYXOZJWSTVZCK-IEZWGBDMSA-N 347.478 2.766 0 50 EFAA CO[C@H](C(=O)N1CCOC[C@H]1c1nc2ccccc2s1)C1CC1 334117470 IIPSYSLGGUOQOQ-ZFWWWQNUSA-N 332.425 2.621 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72476012 GROBRLRYFMHQDH-GFCCVEGCSA-N 343.345 2.552 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 174700489 PKRRXGMMLACNSC-KRWDZBQOSA-N 341.459 2.911 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCCC[C@H]1CN1CCOCC1 241126030 JJAJHWCONAUWFT-RYQLBKOJSA-N 346.446 2.643 0 50 EFAA COC(=O)c1cscc1NC(=O)N1CCC[C@@H]1c1noc(C)n1 242147462 WSBFGHIWIALQPZ-LLVKDONJSA-N 336.373 2.595 0 50 EFAA Cc1cnn([C@H]2CCN(C(=O)Nc3ccc(OC(F)F)cn3)C2)c1 455525069 CDFXYPLZMKQZEY-NSHDSACASA-N 337.330 2.667 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 343341776 PNEZOVXJZIHDBE-KXBFYZLASA-N 331.435 2.992 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)c1cc(-n2cccn2)ccc1Cl 19143441 MZGWEEAOHAVQEU-LBPRGKRZSA-N 341.802 2.677 0 50 EFAA COc1ccccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 222757058 WZPCNTAMPQZDKJ-IEBWSBKVSA-N 347.455 2.718 0 50 EFAA Cc1nn(-c2ccccn2)c(C)c1[C@@H]1NC(=O)c2ccccc2N1C 225776588 AQUGLCCYBAOGHJ-GOSISDBHSA-N 333.395 2.763 0 50 EFAA C[C@H]1CN(C(=O)NC2CCN(c3ccccc3F)CC2)CCCO1 426518305 KHRMMDZHRVDXLR-AWEZNQCLSA-N 335.423 2.615 0 50 EFAA CC1CCN(Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)o2)CC1 221378156 BYTSIZAMWBUHNF-IRXDYDNUSA-N 345.487 2.678 0 50 EFAA Cc1[nH]nc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)c1Cl 426399130 ZTECWFKQFMQGNS-ZDUSSCGKSA-N 344.806 2.524 0 50 EFAA CN(C/C=C/c1ccccc1)C(=O)Cn1nccc1[C@@H]1CCCNC1 426387777 AVCRABMTXMRWJA-AHKGRUIUSA-N 338.455 2.522 0 50 EFAA O=C1OCCCN1CCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 426501872 PCZLVLGFTFOONL-FQEVSTJZSA-N 342.439 2.847 0 50 EFAA CC(=O)c1cn([C@H](C)C(=O)N2CCn3cncc3C2)c2ccccc12 426473685 USPUMZZRVAQWHQ-CYBMUJFWSA-N 336.395 2.644 0 50 EFAA COc1ccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)cc1F 96162497 TTZHLOCNXKQRTR-SFHVURJKSA-N 331.387 2.867 0 50 EFAA C[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccc2c(c1)OCCO2 95355468 CYCJRDDVWMDNGB-LLVKDONJSA-N 326.400 2.882 0 50 EFAA Cc1cc2c(cc1-c1cn(C[C@H](C)Oc3cccnc3)nn1)OCO2 91616738 QLUSIYCKTPHTKN-ZDUSSCGKSA-N 338.367 2.845 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91626209 PBVQQAVXNPGCCZ-KRWDZBQOSA-N 349.438 2.983 0 50 EFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)COCc1ccccc1 91872976 GBLFMZJERSQZTH-SFHVURJKSA-N 344.455 2.597 0 50 EFAA COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@@H](N)C1 237161760 BWXZZNHXILHRND-NXHRZFHOSA-N 346.471 2.720 0 50 EFAA COc1ccc(CNCc2cc(=O)c3cc(F)ccc3[nH]2)c(OC)c1 95358548 QCWMZCBTCWXZTM-UHFFFAOYSA-N 342.370 2.974 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)N3CCN(c4ccncc4)CC3)ccc2O1 95513141 SIJQVZUDAXMLAI-CQSZACIVSA-N 338.411 2.759 0 50 EFAA Cc1cccc(-c2ccccc2C(=O)N2CCN3CCN(C)C[C@H]3C2)c1 252572256 ZBGVUUOXWCJXCA-IBGZPJMESA-N 349.478 2.734 0 50 EFAA Cc1ccc2[nH]c(CCCNC(=O)[C@H]3CC[C@@H](O)CC3)nc2c1C 252482632 DLLFLULMABIPQA-GASCZTMLSA-N 329.444 2.780 0 50 EFAA CN(C)c1cc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)ccn1 299743373 NJSMADISXOIIBE-MRXNPFEDSA-N 325.460 2.670 0 50 EFAA Cc1ccc([C@H](C)NC(=O)N(C)CC2CCN(CCO)CC2)cc1C 534644776 GGTCCXGFAZMKJP-KRWDZBQOSA-N 347.503 2.710 0 50 EFAA CCn1nc(CC(C)C)nc1-c1ccc2nnc([C@@H](O)C(C)C)n2c1 1940194653 BQPLKUMTCUKUNV-INIZCTEOSA-N 342.447 2.896 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(C(C)C)nc3O)[C@H]2C1 299768365 MTKIZMDLMKDIDX-ACWOFJMJSA-N 348.443 2.709 0 50 EFAA CO[C@@]12CC[C@H](OCC(=O)O)C[C@@H]1N(CCCc1ccccc1)CC2 299761257 TVSARSAQDHAXJH-CMKODMSKSA-N 347.455 2.732 0 50 EFAA Cc1cc([C@](C)(O)CNC(=O)c2coc3cc(O)ccc23)c(C)o1 877871648 VCPUYPDTSPYNKL-GOSISDBHSA-N 329.352 2.986 0 50 EFAA O[C@H](Cc1ccccc1)Cn1cc([C@H](O)c2ccc(Cl)cc2)nn1 1875323118 YAGZPLSAYDKUAV-SJLPKXTDSA-N 343.814 2.617 0 50 EFAA Cc1[nH]c2cc(Cl)ccc2c1CCNC(=O)[C@H](N)[C@@H]1CC[C@H](C)O1 1875316143 XFIYNIZUONINQN-PZDALLCQSA-N 349.862 2.683 0 50 EFAA CC(C)[C@]1(CO)CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875310864 FIXYBCDINYBFBP-OAHLLOKOSA-N 345.365 2.717 0 50 EFAA CCC(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C3CCCC3)cc1O2 1875394794 WZESAKKJBOGWRK-CQSZACIVSA-N 333.432 2.585 0 50 EFAA CCNC(=O)c1cc(NC(=O)c2ccn(C(F)F)n2)ccc1Cl 952978954 FFBHSRNKDUUYIS-UHFFFAOYSA-N 342.733 2.934 0 50 EFAA CC1=C(C(=O)N(C)Cc2ccccc2CN2CCCC2)OCCO1 952978242 PZBCVWOLKOSGHZ-UHFFFAOYSA-N 330.428 2.519 0 50 EFAA NC(=O)[C@@H]1CN(Cc2cccc(O)c2Cl)C[C@H]1c1ccccc1 895005621 PEYYPRRUTJDHEC-LSDHHAIUSA-N 330.815 2.747 0 50 EFAA C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1)c1cccc(C2CC2)c1 895064594 SCYIOBBAZUZQLI-VOWSPCBNSA-N 341.455 2.922 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccn3)c2)C1 893613647 LNYJYTNACGILBK-QGZVFWFLSA-N 346.452 2.883 0 50 EFAA CC(C)[C@@H](C(=O)N1Cc2ccc(Br)cc2C1)c1nc[nH]n1 1775998386 BGUXDUNPTAECGC-CYBMUJFWSA-N 349.232 2.849 0 50 EFAA Cc1noc(-c2ccc(C(=O)N3CCC4(CCCN4C)CC3)cc2)n1 1776002399 PFCBMXHMZPSNOU-UHFFFAOYSA-N 340.427 2.745 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)N3CC(N(C)C)C3)c2C)c1 273369754 AKCNQQJABOZSAQ-UHFFFAOYSA-N 327.432 2.575 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275550940 DKQJGFVEHFKHPK-KRWDZBQOSA-N 326.444 2.845 0 50 EFAA CCc1nnc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)o1 280553971 UNNQUXFRWYYGDG-GXFFZTMASA-N 341.333 2.959 0 50 EFAA C[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1nccs1 225416901 FECVLCASQFGAJK-JTQLQIEISA-N 326.381 2.588 0 50 EFAA CCCc1nc(CN2CCC[C@H]2[C@](C)(O)c2ccc(OC)cc2)no1 225524880 WNQYKQZQNUBOOT-QFBILLFUSA-N 345.443 2.903 0 50 EFAA Cn1cc([C@H]2CN(C(=O)N3CCCCCC3)CC23CCOCC3)cn1 641763976 KYRVKNCWPSSFPF-QGZVFWFLSA-N 346.475 2.612 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 190525223 NJUZWMYFUJBQOR-OLZOCXBDSA-N 339.382 2.590 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CC[C@](C)(C(=O)O)C3)c2)cc1 191047394 CHJOHXHDYBIZMV-IBGZPJMESA-N 340.379 2.694 0 50 EFAA C[C@H](Oc1ccc(C(=O)NC(C)(C)C(N)=O)cc1)c1ccccc1 191124632 FTZZDRUMKBEXLT-ZDUSSCGKSA-N 326.396 2.820 0 50 EFAA COc1ccc(C[C@H](C)CN2CC(OCc3nnc(C)o3)C2)cc1F 643832826 RQCVTFQNHJAJOT-LBPRGKRZSA-N 349.406 2.605 0 50 EFAA Cc1ccc([C@@H](O)CNC(=O)c2c[nH]nc2-c2ccccc2F)o1 755815760 HVDYWZCQGQIHRQ-AWEZNQCLSA-N 329.331 2.581 0 50 EFAA O=C(OCCc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 773378572 BBPDNCMZCWKVJW-JTQLQIEISA-N 337.224 2.514 0 50 EFAA Cc1ccc(N2CCC(N[C@@H]3CCCCNC3=O)CC2)cc1Cl 1506406056 YNOUXLFOFJXVLC-QGZVFWFLSA-N 335.879 2.876 0 50 EFAA c1ccc([C@@H](CCn2cncn2)NC2CSCCSC2)cc1 1506410308 KBMYKMABQWPSNY-MRXNPFEDSA-N 334.514 2.848 0 50 EFAA O[C@@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H]1Cc1ccncc1 1529099925 HRISHYTWVBUVMJ-MLGOLLRUSA-N 338.238 2.819 0 50 EFAA Cc1ncc(CN(CCN(C)C)C(=O)c2sccc2Cl)[nH]1 1704336182 UZWBLRWOFKMTJN-UHFFFAOYSA-N 326.853 2.637 0 50 EFAA Cc1ccc(Br)c(S(=O)(=O)Nc2[nH]nc(C)c2C)c1 120378735 BMQUYVWOUWTTBQ-UHFFFAOYSA-N 344.234 2.898 0 50 EFAA O=C(c1scc2c1CCCC2)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616080169 ZSLAEVQFFNTRPT-YOEHRIQHSA-N 342.464 2.698 0 50 EFAA CCc1noc(C)c1C(=O)N1CCO[C@@H](Cc2ccc(OC)cc2)C1 12429624 RPQYCANVCGFNJO-INIZCTEOSA-N 344.411 2.638 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)s1 12594071 HQFNPFCRSUAITI-AWEZNQCLSA-N 335.473 2.671 0 50 EFAA Cc1ccccc1-c1cc(C(=O)N2CCCC2)cc(-n2cnnn2)c1 14993667 LLEIXCWVZSBJCS-UHFFFAOYSA-N 333.395 2.874 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 15063714 BTUAYCFATYVKTI-CQSZACIVSA-N 348.397 2.818 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C)cc2)cc1 16552635 KUECZAQVVWTQTQ-UHFFFAOYSA-N 332.425 2.687 0 50 EFAA COc1cccc(CN2CCN([C@H]3CCCC[C@@H]3OC)CC2)c1OC 19788294 GBGPSUOLCICWGQ-ROUUACIJSA-N 348.487 2.779 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)n1 236863084 YUZZVIVWQDZMHL-SECBINFHSA-N 325.796 2.579 0 50 EFAA CC1=CCC[C@@H](C)[C@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 328631412 QVSNSFWCVWFBBN-WXSAJPJJSA-N 330.476 2.522 0 50 EFAA Cc1nc2ncnn2c(N2CC(Oc3ccccc3Cl)C2)c1C 132862419 CCTMOYYBXVSZIW-UHFFFAOYSA-N 329.791 2.662 0 50 EFAA CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H]1CCc2cc(C)ccc2C1=O 248336501 OOKPSYFHOOGFIE-OAGGEKHMSA-N 344.407 2.871 0 50 EFAA CCOC(=O)c1cnc(NC(=O)c2csc(Br)c2)[nH]1 253417475 VGSFNHJZXPAUOT-UHFFFAOYSA-N 344.190 2.663 0 50 EFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2ncco2)c1 155121077 QUAWOEPAVBATAD-OAHLLOKOSA-N 327.384 2.927 0 50 EFAA O=C(NCc1ccccc1CO)[C@@H]1Cc2ccccc2O[C@H]1C(F)F 934430406 YQXWEPUWYAYHAA-NVXWUHKLSA-N 347.361 2.680 0 50 EFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cccc2c1OCC2 934897829 QVYQVXICDIQPRI-AWEZNQCLSA-N 325.364 2.581 0 50 EFAA O=C(c1cnc(O)c2ccsc12)N1CCC(c2ncc[nH]2)CC1 2325804513 VQERBPOKFWNYAH-UHFFFAOYSA-N 328.397 2.745 0 50 EFAA O=C(c1ccsc1)N1CCC2(CC1)CN(C(=O)c1cncs1)C2 944846517 DPYHVVIYYGMGSX-UHFFFAOYSA-N 347.465 2.583 0 50 EFAA CC(=O)N1CCC(N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 110704655 IIEFULJFXVXEPX-ROUUACIJSA-N 335.879 2.686 0 50 EFAA O=C1[C@@H](NCc2cncnc2)CCN1c1ccc(Cl)cc1Cl 225594010 SVVNZTUCUCQCLL-ZDUSSCGKSA-N 337.210 2.679 0 50 EFAA O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 245344176 XXWCEVFUUALOIO-IEZWGBDMSA-N 338.455 2.794 0 50 EFAA Nc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 436100 UQIAOINDLAFVMA-BXUZGUMPSA-N 327.306 2.522 0 50 EFAA CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 620683 QIOBAJCPLYJTDV-UHFFFAOYSA-N 340.379 2.940 0 50 EFAA Cc1nnc(SCCCNC(=O)c2ccc3[nH]cnc3c2)s1 55225054 NRTISBSDKJPMSD-UHFFFAOYSA-N 333.442 2.635 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(OC)cc2)C1=O 101128494 WSGNIIVDRLJKGX-HNNXBMFYSA-N 340.379 2.838 0 50 EFAA Cc1ccc(N([C@@H](C)C(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 10286431 OXQLEKTUSBMEKY-HNNXBMFYSA-N 346.452 2.813 0 50 EFAA Cc1cc(CN2CCC[C@@H](CNC(=O)C3CCOCC3)C2)ccc1F 67740758 YARHGCLMCPYFSF-KRWDZBQOSA-N 348.462 2.889 0 50 EFAA CCc1cc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)on1 67772838 VBWKXKRKTITYSH-UHFFFAOYSA-N 340.383 2.908 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@H](C)n1ccnc1C(C)C 65457208 VDDQMLJDDMHVGH-AWEZNQCLSA-N 330.432 2.904 0 50 EFAA COc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1OC 6742655 APTRIMFVWJAOHV-UHFFFAOYSA-N 347.845 2.897 0 50 EFAA C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cccnc2)C1=O 136909235 KZKDJFFFLUEKPQ-KXBFYZLASA-N 339.439 2.894 0 50 EFAA Cc1ccc(-c2nnc(CNC[C@H]3OCCc4ccccc43)o2)n1C 65385647 ZLQJDIGAHAOFEP-QGZVFWFLSA-N 338.411 2.787 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)n(C)n1 359391427 HGMOFBDPHSRECG-IBGZPJMESA-N 342.443 2.578 0 50 EFAA Cc1csc([C@H](NC(=O)N2CCC[C@@H]2c2nncn2C)C2CC2)n1 152215523 NWESDJSLWVRQJR-CHWSQXEVSA-N 346.460 2.578 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@@H](C)c2cc3ccccc3o2)n1 328613257 RIUQXRNMYVOSEK-ZLKJLUDKSA-N 341.367 2.562 0 50 EFAA c1ccc(OCc2noc([C@H]3OCC[C@H]3Cn3cccn3)n2)cc1 328627359 MSINEXYCETXWGQ-BBRMVZONSA-N 326.356 2.623 0 50 EFAA O=C(N[C@H]1CCCOCC1)c1cc(Br)cc2[nH]cnc12 282675916 HWFQAOBIQIEFMO-JTQLQIEISA-N 338.205 2.624 0 50 EFAA O=C(c1cccc[n+]1[O-])N1CCCCC[C@H]1C[C@H](O)c1ccccc1 123951363 JTFZFRIDYHCNBV-HKUYNNGSSA-N 340.423 2.829 0 50 EFAA O=S(=O)(NC[C@H]1CCCCC1(F)F)c1ccc2c(c1)CCO2 332595410 NCKVXOJNMPUQNF-GFCCVEGCSA-N 331.384 2.725 0 50 EFAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)c3cc(C)c[nH]3)CC2)c1 72459002 SDRANAVXVNAHAQ-UHFFFAOYSA-N 342.395 2.770 0 50 EFAA O=c1[nH]c2ccccc2nc1CN1CCO[C@H](c2ccc(F)cc2)C1 71757027 QAFKQJRVGFCWMS-SFHVURJKSA-N 339.370 2.636 0 50 EFAA CC(C)[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CCCO1 331420832 HRMVJJIZOFANQP-NSHDSACASA-N 334.342 2.718 0 50 EFAA CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 333003302 NXTGCMPAXODSCV-CZUORRHYSA-N 344.463 2.802 0 50 EFAA O=C1O[C@H](C(=O)Nc2ccnn2-c2ccccc2)Cc2ccccc21 174192435 QMUMJFDURWQYQX-INIZCTEOSA-N 333.347 2.593 0 50 EFAA CCc1ncnc(N[C@@H](c2nccn2CC)C2CCOCC2)c1F 284615643 RGBGHVAKQCGEIE-OAHLLOKOSA-N 333.411 2.974 0 50 EFAA Cc1ccc2c(c1F)N(C(=O)c1cn(C3CCOCC3)nn1)CCC2 333841312 NNTRGZCEEDJWCN-UHFFFAOYSA-N 344.390 2.670 0 50 EFAA O=C(CCc1ccccc1C(=O)O)NC[C@H]1CCOc2ccccc21 262083243 BRVSCZZSMWDKHR-OAHLLOKOSA-N 339.391 3.000 0 50 EFAA Cc1cccc([C@@H](NC(=O)c2cn(-c3ccccc3)nn2)C2CC2)n1 215799960 BQOHWODEZJEIPE-SFHVURJKSA-N 333.395 2.852 0 50 EFAA CCc1ncsc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 157519566 OUCMVHHTJQSBDL-NSHDSACASA-N 345.424 2.848 0 50 EFAA COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1/C=C/c1cccs1 373410423 ZJIUZMUATUFYBU-MMQHEFTJSA-N 343.470 2.509 0 50 EFAA COc1cccc2c1OC[C@H](CNC(=O)c1cc(C)nc(C)c1)C2 215297683 KTIXQWOJDLFZOV-AWEZNQCLSA-N 326.396 2.688 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)nc2ccccc12 245446217 ZPGLRZNVRIVONC-DLBZAZTESA-N 347.484 2.726 0 50 EFAA CN(CC(=O)Nc1cccc(F)c1)Cc1nc2cccnc2s1 241897171 TWGQBPSEMYLQAC-UHFFFAOYSA-N 330.388 2.901 0 50 EFAA CCC1(CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CCC1 176331743 ITWNLRXEQIMQBZ-SFHVURJKSA-N 330.472 2.881 0 50 EFAA Cc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1NC(=O)c1ccccc1 179100853 BNMDOZPRMXBBID-KRWDZBQOSA-N 337.423 2.681 0 50 EFAA CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(OC)cc2)CCCC1 222334798 YJPBFNGFICAHKA-QZTJIDSGSA-N 347.455 2.817 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 263531588 MPOJASLSMQSOGD-JSGCOSHPSA-N 328.343 2.985 0 50 EFAA Cc1nc(SCCNC(=O)Cc2ccccc2C(F)(F)F)n[nH]1 221365318 LPKRDALMALUXBN-UHFFFAOYSA-N 344.362 2.583 0 50 EFAA O=C(Cc1ccccc1F)N1CCN(c2cccc(Cl)c2)C(=O)C1 82161944 MBGCZWODZALDOC-UHFFFAOYSA-N 346.789 2.897 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1n[nH]c(=S)s1 177923835 QHYOFEJRHXSUIV-GXSJLCMTSA-N 347.531 2.860 0 50 EFAA O=C([C@H]1CCOc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 135450257 OYILIEDVTFHWCT-HKUYNNGSSA-N 339.391 2.858 0 50 EFAA C[C@@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)COC2)C(N)=O 225753674 OJAHFOYZNIJOTF-LLVKDONJSA-N 342.420 2.935 0 50 EFAA C[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC[C@H]1C 179490174 WDXFLNYTGYKSAO-HZPDHXFCSA-N 343.471 2.979 0 50 EFAA Cc1ccccc1CSCCNC(=O)c1cc(C)c(C)[nH]c1=O 91664189 VOXOJUJAYBFMTA-UHFFFAOYSA-N 330.453 2.963 0 50 EFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@H](c1ccccc1F)N(C)C 95379375 ZABZTBIGZCFUQR-KRWDZBQOSA-N 330.407 2.688 0 50 EFAA CSCCc1nc([C@@H]2COCCO2)n(C2Cc3ccccc3C2)n1 96179855 HQSRBHFIHGOVFC-INIZCTEOSA-N 345.468 2.611 0 50 EFAA CNc1ncc(CN(C)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cn1 91950975 IYNMGCAZKNTHFY-UHFFFAOYSA-N 337.427 2.609 0 50 EFAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2sccc2c1 91858698 LXYGQURVXXWRKK-MRXNPFEDSA-N 336.416 2.954 0 50 EFAA CN(C)[C@@H](Cn1cc(-c2cncnc2)nn1)c1ccccc1Cl 95391640 FIEZHLSNLCFJEL-INIZCTEOSA-N 328.807 2.691 0 50 EFAA CN(CCc1cnn(C)c1)[C@H](C(=O)O)c1ccc(F)cc1Cl 95388068 BOVXQKCKAQCODI-AWEZNQCLSA-N 325.771 2.513 0 50 EFAA CCCc1cc(C(=O)N2CCc3ccccc3[C@@H]2CC(=O)O)[nH]n1 95371901 DTUPVDXNTVJUFT-INIZCTEOSA-N 327.384 2.577 0 50 EFAA Nc1nccc(C2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)n1 95512270 DYWMBANISCXNII-OAHLLOKOSA-N 338.455 2.880 0 50 EFAA OCc1ccc(Cn2cc(-c3ccc(-n4ccnc4)cc3)nn2)cc1 92038388 GCEBRRYFTCMAQE-UHFFFAOYSA-N 331.379 2.671 0 50 EFAA C[C@@H]1CN(Cc2noc(C3CCCC3)n2)CC[C@@]1(O)C1CCOCC1 91411188 DWHULSGSMKJVIW-KUHUBIRLSA-N 349.475 2.727 0 50 EFAA CN1C(=O)Cc2cc(NCC3(CNC(=O)OC(C)(C)C)CC3)ccc21 298061160 KAWLJWSNKKXXJC-UHFFFAOYSA-N 345.443 2.922 0 50 EFAA COc1ccc([C@H](C)CN2CCN(C(=O)c3ccco3)CC2)cc1 183466781 NPRXZVFPAYHORM-OAHLLOKOSA-N 328.412 2.850 0 50 EFAA CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccncn1 864095598 RSNXEUPMBLBHLJ-HNNXBMFYSA-N 348.447 2.663 0 50 EFAA Cc1nc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)cs1 252482697 DMECFKHYZNIXKT-UHFFFAOYSA-N 337.474 2.641 0 50 EFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)NCCc1cccn1C 534588341 KFOCRTRDDTWMDA-QGZVFWFLSA-N 340.471 2.736 0 50 EFAA CC(C)c1ocnc1C(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 299788704 ZOPXLAUWZGWBLS-CYBMUJFWSA-N 327.384 2.581 0 50 EFAA C[C@H](NC(=O)Cc1ccc(CO)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828823359 QEVQYKCENQGCGU-YYTWVVNUSA-N 343.467 2.557 0 50 EFAA CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1cc(Br)ccc1F 270096899 NLFBACLJEDYBQQ-YGRLFVJLSA-N 344.224 2.750 0 50 EFAA O=C(Nc1nc(-c2ccccc2)ns1)N1CCCC2(C1)OCCO2 270132932 NBXQQPDRIJPMTO-UHFFFAOYSA-N 346.412 2.576 0 50 EFAA CCCN(C)C[C@@H]1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 271284802 LHCGSJQQCAMCSC-CABCVRRESA-N 328.460 2.798 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1 270686908 USAFCKMRDNLEAI-UHFFFAOYSA-N 327.428 2.799 0 50 EFAA CCc1cc(C)nc(NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)n1 952849020 FDFIRYKFZCJQDB-GZBFAFLISA-N 343.431 2.574 0 50 EFAA Cn1nccc1C1(O)CCN(Cc2ccc(OC(F)F)cc2)CC1 952993564 YZBOKJXLQZUXNQ-UHFFFAOYSA-N 337.370 2.505 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)C1CCC(F)(F)CC1 952961733 SRFARQFYKAFOCG-IACUBPJLSA-N 343.418 2.653 0 50 EFAA CC1(C)C[C@H](Nc2cc(Br)ccn2)CCS1(=O)=O 1875288352 XUQPKDUJLMYXJE-SNVBAGLBSA-N 333.251 2.612 0 50 EFAA O=C(O)c1cnc([C@H]2CCCN2Cc2cccc3nsnc23)nc1 1875282796 SKBCOZHBATWVGW-CYBMUJFWSA-N 341.396 2.517 0 50 EFAA COC(=O)c1cc(NC(=O)NC2(c3ncc(C)[nH]3)CCC2)ccc1F 1875279154 UVHVBCWTSHSTGB-UHFFFAOYSA-N 346.362 2.845 0 50 EFAA O=C(c1n[nH]c2c1C[C@H]1C[C@@H]21)N1CCC2(CC1)Cc1ccccc1C2=O 1875296190 JPMNAVKCFFLQMV-UKRRQHHQSA-N 347.418 2.731 0 50 EFAA Cc1nc(CO)sc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1875356943 SPDQSOWQSIMQSA-UHFFFAOYSA-N 342.424 2.999 0 50 EFAA C[S@](=O)c1ccc(C(=O)Nc2cccc(OC(F)(F)F)n2)cc1 1875316971 LQZVPWDKFLHIGN-QHCPKHFHSA-N 344.314 2.970 0 50 EFAA Cc1cc(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](F)C2)cc(C)c1Cl 952980063 FCZLKASQJGYSJE-CHWSQXEVSA-N 329.799 2.655 0 50 EFAA CC(=O)c1c(C)cc(OS(=O)(=O)c2ncn(C)c2Cl)cc1C 882712299 NFULTEFKHFJSCB-UHFFFAOYSA-N 342.804 2.661 0 50 EFAA C[C@H](CNC(=O)N1CCC(O)CC1)c1ccc(Br)cc1 897078381 SFKJIEPWQFPDGW-LLVKDONJSA-N 341.249 2.719 0 50 EFAA C[C@@H](COc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2 1776002331 FSRTXGNYYFDDLH-LBPRGKRZSA-N 330.359 2.743 0 50 EFAA N[C@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@@H]1O 1565531168 WBJBHMJUFGFOIT-ROUUACIJSA-N 346.858 2.813 0 50 EFAA CN(C)C(=O)c1cc(NC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)ccc1F 273311888 XVVZCRYLYWVVKG-YJBOKZPZSA-N 349.406 2.607 0 50 EFAA CC1(C)[C@H]2CC=C(COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)[C@@H]1C2 170593103 QKMNDRCSCWNVAZ-FLTUCWPJSA-N 335.469 2.976 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)NCCn2c(S)nnc2C2CC2)C1(C)C 170641358 UQMDLPCDYBYVCL-CHWSQXEVSA-N 334.489 2.799 0 50 EFAA CCn1ncnc1CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280253893 CCIITXGDAAUHDS-BXUZGUMPSA-N 340.349 2.625 0 50 EFAA CC(=O)N1CCC[C@@H]1C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 633581396 ATTSIZIVACMRHR-CQSZACIVSA-N 340.345 2.822 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(CCN(C)Cc3ccc(F)cc3)[C@@H]2C1 221890251 SUMKLIMHADQEQF-GUDVDZBRSA-N 336.451 2.526 0 50 EFAA O=C(NC1CCCC1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 222021090 XHCYPHITPRWVEF-JQFCIGGWSA-N 333.476 2.940 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)NCCNc1cccc(Br)c1 190074474 HMRBVNXTXNLXGR-RISCZKNCSA-N 341.249 2.792 0 50 EFAA C[C@@H](NCC1(c2ccc(F)cc2)CCOCC1)c1nnnn1C1CC1 190535547 VUVDZRFJGFCDJZ-CYBMUJFWSA-N 345.422 2.546 0 50 EFAA CS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](Cc3nccn3C)C2)C1 225282676 VNBXTGXUNHMHJQ-RBSFLKMASA-N 336.505 2.668 0 50 EFAA CC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1C 225440399 CCPDUCRSRNNCSZ-UHFFFAOYSA-N 330.306 2.593 0 50 EFAA COCCN1CC(=O)N([C@H](c2ccccc2)c2ccc(F)cc2)C1=O 225452175 YQVSIWDGOWBTOJ-GOSISDBHSA-N 342.370 2.826 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCS[C@H](C)CC3)cn2)n1 191407308 XTBBJQBVUZCWLB-CQSZACIVSA-N 330.457 2.852 0 50 EFAA OC[C@@H]1CCCN(c2cc(NCc3ccc4ncccc4c3)ncn2)C1 192998933 OYVQPFKJOKHZKJ-MRXNPFEDSA-N 349.438 2.846 0 50 EFAA CN(C)c1noc([C@@H]2CCCN(C(=O)N(C)c3ccc(F)cc3)C2)n1 193059671 IIFHFVHWNHYMCE-GFCCVEGCSA-N 347.394 2.711 0 50 EFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](O)c2ccccc2)cc1 193167828 OGHBREXDTSOGDC-QGZVFWFLSA-N 337.379 2.549 0 50 EFAA NC(=O)[C@@H]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2Cl)C1 194346134 LYJNSDHYMRIQTG-MNOVXSKESA-N 329.227 2.696 0 50 EFAA O=C(OCCc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 773378574 BBPDNCMZCWKVJW-SNVBAGLBSA-N 337.224 2.514 0 50 EFAA Cc1ccc(NC2(C(=O)N[C@@H]3CCCCNC3=O)CCCCC2)cc1 1506418499 ZFTZBIAROPJNAD-QGZVFWFLSA-N 343.471 2.895 0 50 EFAA CC(C)CCOc1ccc(CCNc2cc3nncn3c(N)n2)cc1 1529187661 XHDLSSUGPGJZCO-UHFFFAOYSA-N 340.431 2.786 0 50 EFAA Cc1ccc(C2(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1529095707 UJZMGGFDCYZBAZ-IEBWSBKVSA-N 336.435 2.796 0 50 EFAA S=C(NCc1ccco1)N1CCN(C/C=C/c2ccccc2)CC1 5060951 GMPZVJIOGUGWDI-XBXARRHUSA-N 341.480 2.985 0 50 EFAA O=C(NCCCc1cccnc1)c1cn(CC2CCCCC2)nn1 11753704 OGUVSRYSDCPXCY-UHFFFAOYSA-N 327.432 2.616 0 50 EFAA O=C(CCCN1CCCC1=O)N[C@H]1CCCN(C2CCCCCC2)C1 11932816 NHGGKWLIOHXXAK-KRWDZBQOSA-N 349.519 2.692 0 50 EFAA CSCCC(=O)NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1 12164117 VFXUQYUCIDVETL-HNNXBMFYSA-N 328.437 2.921 0 50 EFAA O=C(CCc1cn[nH]c1)N1CCO[C@H](CCCc2ccccc2)C1 12385655 ZROLLFDNHQEORE-GOSISDBHSA-N 327.428 2.593 0 50 EFAA CC(C)(C)CN1CCC[C@@H](n2cc(C(=O)NC3CCCC3)nn2)C1 14976885 HIONOLBCLJUIIY-OAHLLOKOSA-N 333.480 2.634 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 19555340 DARBVERIBHVAMJ-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA CCCn1c(=N)n(C[C@H](O)COc2ccccc2)c2ccccc21 19757594 QTDOBONYIRTGJX-HNNXBMFYSA-N 325.412 2.772 0 50 EFAA COc1cc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)ccn1 1857725996 DNLIXTDDVTUFOQ-YLJYHZDGSA-N 349.434 2.674 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2ccc3oc(C)cc3c2)CC[C@@H]1O 1857736035 NAHBBQSYJYHEQB-HKUYNNGSSA-N 331.412 2.727 0 50 EFAA COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 408470104 ZCGODTISSXXHGX-OAHLLOKOSA-N 328.416 2.808 0 50 EFAA Cn1nccc1CCSc1nc2cc(Br)cnc2[nH]1 225776704 FBZYDEITWHSZRW-UHFFFAOYSA-N 338.234 2.789 0 50 EFAA Cc1c([C@@H](NC(=O)c2ccc(=O)[nH]n2)C(C)C)oc2ccccc12 112199222 HKYAQJKAZWLKQR-INIZCTEOSA-N 325.368 2.952 0 50 EFAA Clc1ccc(Cc2nnc(N3CC[C@@]4(CCNC4)C3)s2)cc1 420226270 GMBPJMBDHLJNNJ-MRXNPFEDSA-N 334.876 2.972 0 50 EFAA COc1ccc(CCNC(=O)N2CCC[C@@](C)(O)CC2)c(Cl)c1 332028444 SDZBFUZRJDKWOV-QGZVFWFLSA-N 340.851 2.838 0 50 EFAA CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2O)C1 245600341 FJYNXSCDDSDFJD-FZMZJTMJSA-N 342.361 2.967 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@@H]2CCN(c3ccccc3)[C@@H]2C)n1 252506084 VXXNWJUTFLKMAE-IUODEOHRSA-N 328.416 2.823 0 50 EFAA COc1cccc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1 151424674 FKPWYWBWOQJKDI-IBGZPJMESA-N 340.423 2.925 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)Cc2cccc3cnccc23)CC1 901558455 KNTPXLKTTWINIZ-CQSZACIVSA-N 326.396 2.881 0 50 EFAA Brc1cncc([C@@H]2CCCN2Cc2nnnn2C2CC2)c1 932253149 QAUHQWRBWHGUML-ZDUSSCGKSA-N 349.236 2.503 0 50 EFAA CCN(C(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2)c1ccccc1 459978 DTYANKZKMZCOQN-HNAYVOBHSA-N 331.412 2.930 0 50 EFAA biogenic O=C(c1cccs1)N1CCC(NCc2ccn3nccc3c2)CC1 2325802552 NRAONVHUDFLEJH-UHFFFAOYSA-N 340.452 2.790 0 50 EFAA CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccnnc1 2325824884 URZNZISTIOWGBS-UHFFFAOYSA-N 327.775 2.807 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)NC[C@H]1CCCCCN1 2325843168 XWBZMNXVEGRRBY-CYBMUJFWSA-N 345.365 2.917 0 50 EFAA Cn1ccnc1C[C@@H](N)C(=O)N1CCc2c(-c3ccccc3)cccc21 2325857994 XCCSNTRCLYZFST-GOSISDBHSA-N 346.434 2.546 0 50 EFAA NCc1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)cc1F 2325865388 ANHYIYAMZGWIIQ-OAHLLOKOSA-N 348.761 2.658 0 50 EFAA COC(=O)c1cc(Br)ccc1NC(=O)c1cccnc1 140436 NUTBOVNAMXMPKB-UHFFFAOYSA-N 335.157 2.883 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 569655 OPKRVTZHUCCCBD-UHFFFAOYSA-N 337.423 2.916 0 50 EFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)C(=O)c2ccccc21 1892742 KQGXCXKNUGIIEK-UHFFFAOYSA-N 336.391 2.979 0 50 EFAA O=c1cc(CSc2nncn2-c2ccccc2)nc2sccn12 3546106 GEBRWJXAXRKTQM-UHFFFAOYSA-N 341.421 2.629 0 50 EFAA Cc1cnccc1-n1nc(C2CCOCC2)nc1[C@H]1CC[C@@H](N)CC1 2356166991 FWHUPJREWXQMPE-IYBDPMFKSA-N 341.459 2.850 0 50 EFAA O=C(Nc1cccc(Cl)c1Cl)OCCN1CCNC1=S 6500094 FPLBJENGLKLNEI-UHFFFAOYSA-N 334.228 2.732 0 50 EFAA C[C@H]1CN(C(=O)COc2cccc(C=O)c2)C[C@@H](c2ccccc2)O1 113155931 UDDPKOKSFGRJLD-KXBFYZLASA-N 339.391 2.867 0 50 EFAA Cc1ccccc1Cc1nc(COc2ccc3c(c2)CCNC3=O)no1 351901950 IHHKNQQUGMBWDY-UHFFFAOYSA-N 349.390 2.834 0 50 EFAA CCOc1ncccc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 345838832 NZWIJFHAEIGIOA-ZIAGYGMSSA-N 326.400 2.586 0 50 EFAA Cc1nc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1 65528344 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345.472 2.901 0 50 EFAA CNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 444619 VJWIXGWGIHAPEB-UHFFFAOYSA-N 334.379 2.793 0 50 EFAA COc1cccc(OCCN2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356137371 LJJJLPHWHFEPOP-HXUWFJFHSA-N 344.455 2.693 0 50 EFAA CNc1ccc(Cl)cc1C(=O)N1CCC(CN(C)C)(OC)CC1 2356143274 BDAJNVPSINCRMQ-UHFFFAOYSA-N 339.867 2.565 0 50 EFAA COc1cnccc1-c1ccc(C(=O)NCCN2CCCC2)cc1 2356155267 DUSZYWZKPRUPAP-UHFFFAOYSA-N 325.412 2.583 0 50 EFAA CCCc1cc(N2CCN(CC=C(C)C)[C@@H](CCO)C2)nc(C)n1 106999951 LMMZWESWHUDUQA-SFHVURJKSA-N 332.492 2.577 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COc2ccccc2F)c1 282514482 OEFVOMLEAGMRHK-YOEHRIQHSA-N 345.370 2.548 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621804 PSSBCZKPPVJWCN-FHWLQOOXSA-N 340.467 2.730 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCCc1c(C)n[nH]c1C 55100455 MTUUEGYHGRQUPJ-KRWDZBQOSA-N 330.432 2.585 0 50 EFAA CN1CC[C@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H]1c1ccccc1 248078776 RLOZMJVDUUWKQK-OXJNMPFZSA-N 338.407 2.519 0 50 EFAA Cc1cc(Br)c(S(=O)(=O)n2cccn2)cc1Cl 54363136 GSMGUOTXCMSYAE-UHFFFAOYSA-N 335.610 2.844 0 50 EFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)CCC2 57165788 KTFTYUPVTPONGQ-UHFFFAOYSA-N 335.451 2.965 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2COc3ccccc3C2)c2c(C)noc2n1 54886921 PMZVAAREPQDSQT-CYBMUJFWSA-N 337.379 2.821 0 50 EFAA Cc1cccc(C)c1NC(=O)C(=O)[C@H]1Sc2ccccc2NC1=O 100721389 PFVCVQSCIDYUAH-MRXNPFEDSA-N 340.404 2.924 0 50 EFAA CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)n2cncn2)ccc1Cl 55060485 ABGPITAKXJGRAF-SNVBAGLBSA-N 336.779 2.696 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CC(=O)N(C)C)CCO2 67966019 SQAAIGXNIOGQTD-UHFFFAOYSA-N 340.423 2.650 0 50 EFAA CN1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1 20118186 PRSHHYBWVKSDRO-UHFFFAOYSA-N 340.467 2.996 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@](O)(c3ccccc3C)C2)c1C 67881400 QPKAORDRCDAVLW-HXUWFJFHSA-N 340.423 2.876 0 50 EFAA Cc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1C 20395172 AXHKBPHPWSHVLK-UHFFFAOYSA-N 331.441 2.698 0 50 EFAA Cc1cnc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cn1 1506423803 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344.455 2.517 0 50 EFAA CCc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n[nH]1 363383998 DVQKAWQSZUALAW-UHFFFAOYSA-N 330.407 2.506 0 50 EFAA O=C(O)c1cnn([C@@H]2CCCN(C(=O)/C=C/c3cccs3)C2)c1 153223694 LLBGEWMAIURTNW-URWSZGRFSA-N 331.397 2.520 0 50 EFAA CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CC34CCNCC4)cc12 366476285 RFMMZJBSZRNIFU-ZDUSSCGKSA-N 332.473 2.630 0 50 EFAA O=C(/C=C/c1ccc(O)cc1)NC[C@H]1COC2(CCCCCC2)O1 128661747 UDULTQGEIKBTRR-JEJOPICUSA-N 331.412 2.988 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2cn3cc(Cl)ccc3n2)no1 77319614 NITMBSXHIZDVFZ-UHFFFAOYSA-N 333.779 2.766 0 50 EFAA C[C@@](CC(=O)O)(NC(=O)c1cc(C2CC2)on1)c1cccc(F)c1 449001063 KDXNERSVYMQZKX-KRWDZBQOSA-N 332.331 2.811 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c(=O)[nH]1 72148831 MMAVFZLTCKOYIW-HNNXBMFYSA-N 329.375 2.539 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cccs1 238143132 IDPIDGQATIIEQY-CHWSQXEVSA-N 331.393 2.946 0 50 EFAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc3ccc(Cl)c(Cl)c3n2)C1 284616744 SCEDDZHXSBTIAB-ONGXEEELSA-N 340.210 2.621 0 50 EFAA Cc1nn(CCO)cc1CN1CCc2[nH]c3c(Cl)cccc3c2C1 72429196 AACKGKBJTRJIJA-UHFFFAOYSA-N 344.846 2.877 0 50 EFAA COCc1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)o1 374883308 XBYQQIJONBWJOJ-HNNXBMFYSA-N 334.803 2.866 0 50 EFAA O=C1CC[C@H]2CN(Cc3cccs3)CC[C@H]2N1CCc1c[nH]cn1 72468784 YAVMXJRFVMVOKY-WMLDXEAASA-N 344.484 2.527 0 50 EFAA CC(C)CC[C@]1(C2CC2)NC(=O)N(Cc2noc(C3CC3)n2)C1=O 241316918 LWBNFIHKMUQOCK-QGZVFWFLSA-N 332.404 2.584 0 50 EFAA COc1ccc(Cc2noc(C3CN(CC(F)(F)F)C3)n2)cc1 241897250 TXAZNQGCJKJZEZ-UHFFFAOYSA-N 327.306 2.631 0 50 EFAA Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 242167701 WYSQVSHRMXFISF-FFGOWVMKSA-N 340.467 2.697 0 50 EFAA COc1cccc2c1OCCCN(C(=O)CCc1cccnc1)C2 216200961 MDDDSDQUMRQZIA-UHFFFAOYSA-N 326.396 2.834 0 50 EFAA O=C(O)c1ccc(C[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 72136982 ADLNQQFLDYPBCO-QGZVFWFLSA-N 338.407 2.804 0 50 EFAA COc1ccc(-c2nc(CN3CCNC(=O)[C@H]3C)c(C)o2)c(C)c1C 71750557 GEVAPWDLJWVQLB-CYBMUJFWSA-N 343.427 2.596 0 50 EFAA CCCc1cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)ccn1 72481392 OLEAVYAZLBGJOJ-INIZCTEOSA-N 345.487 2.607 0 50 EFAA CCc1nc(NC(=O)NCc2csc(-c3ccccc3)n2)nn1C 48134992 DGWDEGFUQIYANU-UHFFFAOYSA-N 342.428 2.823 0 50 EFAA CCCc1nnsc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 222549182 SHAKZZQUZXGBHU-CQSZACIVSA-N 346.456 2.707 0 50 EFAA COc1ccc2c(c1)CN(C(=O)CCc1ccc(C(=O)O)cc1)CC2 177974310 LZPRAQWEOUSTPU-UHFFFAOYSA-N 339.391 2.911 0 50 EFAA CN(C)c1cccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 222368110 BEPJKINNSXNLAN-UHFFFAOYSA-N 349.478 2.678 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)Cc3cccc(F)c3)CC2=O)cc1 82109208 BCFGFNSSYNILEH-HNNXBMFYSA-N 340.398 2.941 0 50 EFAA O=C(C1=Cc2ccccc2OC=C1)N1CCC2(CC1)OCCC[C@@H]2O 91270470 XQHIZAVOIOFHJX-SFHVURJKSA-N 341.407 2.509 0 50 EFAA CCCN1CCC[C@@]2(CCN(C(=O)c3cc(C)n(C)c3C)C2)C1=O 91943268 IOMMXTRHHMCEBH-IBGZPJMESA-N 331.460 2.507 0 50 EFAA O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N1CCc2[nH]cnc2C1 96132483 CCMVAFRWQJKCRS-GOSISDBHSA-N 342.418 2.661 0 50 EFAA CCc1cccc(OC2CN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)c1 95354309 FRIVYVARIAMZSI-LJQANCHMSA-N 341.407 2.581 0 50 EFAA CC(C)c1noc(CCNCc2cc(=O)c3cccc(F)c3[nH]2)n1 91637166 RPBRMKCSQYWXBT-UHFFFAOYSA-N 330.363 2.506 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@@H](N)C[C@@H]2C)cc(Cl)c1OC 237166484 NNMCSPVZHHEYHA-SOHMCZBRSA-N 338.835 2.709 0 50 EFAA CC(C)=CCC[C@@]1(C)CCC(=O)N(CCNc2nc(C)cc(=O)[nH]2)C1 91304057 MOSIPHQOMKYRST-IBGZPJMESA-N 346.475 2.865 0 50 EFAA Cc1ccc2nc(C(=O)N[C@@H](c3ccccc3)[C@H]3C[C@@H](O)C3)cn2c1 244811718 SJWXAQVUQAGZCF-FCEWJHQRSA-N 335.407 2.885 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C)n1 296702459 UYMCXGORYVMDOO-CYBMUJFWSA-N 348.447 2.544 0 50 EFAA CC(=O)c1cccc(O[C@@H](C)C(=O)NC2CCN(C3CCC3)CC2)c1 297119226 JUYNXSVTVMKSPV-HNNXBMFYSA-N 344.455 2.790 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)c3cccc4c3OCCO4)c2)n1 183718157 QMHXDMCYGBOSHO-UHFFFAOYSA-N 336.351 2.506 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)c1cnc2cnn(C)c2c1 1940197722 LUBLXQIDXGJRML-UHFFFAOYSA-N 344.802 2.903 0 50 EFAA CCn1cc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(C)n1 299785059 ZCFRELLYGCHOIY-QGZVFWFLSA-N 341.459 2.855 0 50 EFAA CCn1nc(COc2ccccc2OC)nc1C[C@@H]1CCCCN1C 824827616 QUBNGFBYDXPZIZ-HNNXBMFYSA-N 344.459 2.912 0 50 EFAA Cc1ncsc1CCC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 828053611 UAYJFSAYGXRUJM-UHFFFAOYSA-N 343.452 2.844 0 50 EFAA CC[C@@H](C)Cc1nc(-c2ccc(OC)c(N3CCOCC3)c2)n[nH]1 822619972 CAMCTCFUUZYKRV-CYBMUJFWSA-N 330.432 2.906 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1cccnc1C(F)(F)F 1875398284 KCXLJYSLOJGUKH-RAIGVLPGSA-N 326.322 2.549 0 50 EFAA COc1cc(F)c([C@@H](N)C(=O)NCc2ccc(F)c(F)c2)c(F)c1 1875344727 KJARFDQNVFUYAQ-OAHLLOKOSA-N 342.292 2.568 0 50 EFAA COC(=O)c1cc2c(N3C[C@@H](C)c4ccc(OC)cc43)[nH]cnc-2n1 1875319458 CZKCFUSVKAUENE-SNVBAGLBSA-N 338.367 2.960 0 50 EFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NC1CC2(CCC(F)(F)CC2)C1 1875399075 NXBFXKANJNFNRU-NUEKZKHPSA-N 339.430 2.970 0 50 EFAA O=C(c1ccncc1)N1CCC(NCc2cccn2C(F)F)CC1 1875284762 LHDURJGIADHIPQ-UHFFFAOYSA-N 334.370 2.673 0 50 EFAA O=C(Cc1cc2ccccc2nc1O)N1CCOC[C@@H]1CC1CC1 886461825 HNSJXAJAEALXSA-INIZCTEOSA-N 326.396 2.510 0 50 EFAA COc1ccc(F)cc1CNC(=O)NCc1cccc2c1OCCO2 894305639 OLJMTVZQXHHUCF-UHFFFAOYSA-N 346.358 2.605 0 50 EFAA CC(C)c1ccccc1OCC(=O)NCc1cc(O)nc(C2CC2)n1 1362883281 PPIGHPZVBVWUFR-UHFFFAOYSA-N 341.411 2.878 0 50 EFAA COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1 170083752 ONZFVYOYQFCRCX-UHFFFAOYSA-N 339.370 2.794 0 50 EFAA COc1ccc(CNc2ccc(N3CCOCC3)nc2)cc1OC 170624763 KMDCYQCWTXTWMC-UHFFFAOYSA-N 329.400 2.548 0 50 EFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)o1 171292952 WAFQHPUPXKSSPJ-UHFFFAOYSA-N 330.384 2.832 0 50 EFAA CC1(C)CC[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)c2ccccc21 281204593 BZGFZJNDSUFPND-VLIAUNLRSA-N 328.456 2.874 0 50 EFAA O=C1NCCCC[C@H]1N1CCO[C@H](c2ccc(F)cc2Cl)C1 187870169 SZUSHCRFGJBHII-CABCVRRESA-N 326.799 2.521 0 50 EFAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(C)n(C(C)C)c2C)C1(C)C 188765516 UJAZYNBNIPQMGY-LPHOPBHVSA-N 336.476 2.982 0 50 EFAA Nc1cccc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 408524424 UKLLDUPXRIGVMQ-GOSISDBHSA-N 338.455 2.917 0 50 EFAA C[C@@]12CC3CC(C(=O)N4CCO[C@@H](CC(=O)O)C4)(C1)C[C@](C)(C3)C2 225411777 PVNNOYRBDSJCBA-ZQVVLCSBSA-N 335.444 2.685 0 50 EFAA COCCCn1ccc(NC(=O)c2ccoc2Br)n1 225548498 RTIFWISIUVVUCL-UHFFFAOYSA-N 328.166 2.527 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 191050099 OYTVTHREDWGSMJ-CYBMUJFWSA-N 337.851 2.712 0 50 EFAA Cn1cc([C@H]2CSCCN2Cc2nc(-c3ccccc3)no2)cn1 191202536 QCVWOBZMAHUINH-OAHLLOKOSA-N 341.440 2.760 0 50 EFAA COC(=O)C1CCC(NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 192446227 BVXHLEFYNNQUEQ-QHAMSDLMSA-N 329.799 2.834 0 50 EFAA CC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2Cl)C1 652389856 KFGDGAVEULGGBN-HZMBPMFUSA-N 345.226 2.720 0 50 EFAA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)[C@@H]1CS[C@@]3(C)CCC(=O)N13)C2 195532243 VZIQDERUAWOZPX-VQOQZMAISA-N 336.501 2.771 0 50 EFAA Cn1ncc2c(O)nc(Nc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)nc21 755062057 BYZFXLDBFREIPA-FZMZJTMJSA-N 336.399 2.801 0 50 EFAA COc1ccc(C)cc1Cc1noc([C@@H]2CCCc3nn[nH]c32)n1 663157731 JYNXOMSKNYCYMG-GFCCVEGCSA-N 325.372 2.564 0 50 EFAA CN(Cc1cnc2c(C(=O)O)cnn2c1)Cc1cccc2cnccc12 1506396352 HGIYBVDSYOLTHD-UHFFFAOYSA-N 347.378 2.608 0 50 EFAA COc1cccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)c1OC 1772811669 XDNHQIAGNWFINS-UHFFFAOYSA-N 349.390 2.842 0 50 EFAA OC[C@]12CCOC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 1772705181 LFUMWRNECWKNIH-YLJYHZDGSA-N 331.456 2.839 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(c1ccc3cc(Cl)ccc3n1)C2 1772702359 VTPLQNDDTBHJOB-PXAZEXFGSA-N 332.787 2.816 0 50 EFAA CC(C)N1C[C@@H](CN(C)Cc2cnc3ccccc3n2)CCC1=O 1775981622 HEEFGCDZGRYWAV-OAHLLOKOSA-N 326.444 2.709 0 50 EFAA CCCN(CCC)C(=O)c1ccc(NC(=O)CC(=O)OCC)cc1 12404472 YEJHQOWTMAWRFA-UHFFFAOYSA-N 334.416 2.841 0 50 EFAA COc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1 169752729 ATYOHRCQCAOVAS-UHFFFAOYSA-N 349.390 2.866 0 50 EFAA C[C@H](N(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817139 QNBLJKNFFUJJLE-LJQANCHMSA-N 331.535 2.646 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)[C@@H](C)Oc2cccnc2)c(Cl)c1 117634546 XIADETUGKKCNOJ-GFCCVEGCSA-N 347.802 2.566 0 50 EFAA COc1ccccc1-c1ccc(CNCC2(O)CCOCC2)cc1 237335606 VNTBARKHDLPHOR-UHFFFAOYSA-N 327.424 2.993 0 50 EFAA COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@@H]43 239121317 JSLDLCGKZDUQSH-OCIQKRMFSA-N 336.435 2.562 0 50 EFAA biogenic CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(O)n1 241810025 SCNCWKXRVGDFHP-OZYPNJIESA-N 346.452 2.750 0 50 EFAA CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 248170403 RTVKREQPQJLIJB-YXAMBPQSSA-N 342.395 2.743 0 50 EFAA OC[C@]1(CNCc2ccc(N3CCCC3)nc2)C[C@@H]1c1ccccc1 353226249 NGLBJNFFGGTXRQ-TZIWHRDSSA-N 337.467 2.938 0 50 EFAA CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)CCO1 353785666 JDHYYRWWWGNYQB-LZDDTZTRSA-N 338.473 2.551 0 50 EFAA C[C@@H](NC(=O)NCc1sccc1Br)c1cnn(C)c1 266459880 AACWIUJYKXBZEJ-MRVPVSSYSA-N 343.250 2.805 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(C(=O)O)cc1)CC2 908580193 VQXVZVRBDPFQIY-MRXNPFEDSA-N 325.364 2.740 0 50 EFAA CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2nc(=N)cc[nH]2)no1 813350976 UIDJDUNXEPFHSB-UHFFFAOYSA-N 331.763 2.907 0 50 EFAA CN(CC[C@H]1COCCO1)CC1CCN(Cc2ccccc2)CC1 1775984174 IWJLXUNCUBOYCA-FQEVSTJZSA-N 332.488 2.636 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2ccc(OC(F)F)nc2)CC1 935879069 GXLDUQJQARDSLS-UHFFFAOYSA-N 336.342 2.734 0 50 EFAA O=C(N[C@@H](Cc1ccccn1)c1ccccc1)N[C@H]1C[C@@H](C(=O)O)C1 874398344 HKEXLSWEICASLL-UAGQMJEPSA-N 339.395 2.528 0 50 EFAA Cc1nn(C2CCOCC2)cc1CNC[C@H]1Cc2ccccc2O1 2325777565 LMQVJFNAFWKAGF-GOSISDBHSA-N 327.428 2.636 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CCc4nc(C)[nH]c4C3)c12 2325802089 GXDILUUQSNZQFC-UHFFFAOYSA-N 338.411 2.726 0 50 EFAA Cc1cc2cc(C(=O)Nc3ccc4c(c3)C(=O)NCCO4)ccc2cn1 2325821131 HEKAMILWHLPLRZ-UHFFFAOYSA-N 347.374 2.918 0 50 EFAA Cc1cccc2nc(CN3CCN(C)C(=O)[C@H]3Cc3ccccc3)cn12 2325839341 QJPVIQRZQRBFJB-LJQANCHMSA-N 348.450 2.528 0 50 EFAA C=CC(=O)N1CCC(N(C)C(=O)c2cc(F)c(F)cc2Cl)CC1 2325888385 OFGIOBQNCVGAKW-UHFFFAOYSA-N 342.773 2.867 0 50 EFAA O=C1CCCN1CCCNc1cccc(-c2ccc3c(c2)OCO3)n1 2325899272 YJBJRGOYEQLYTJ-UHFFFAOYSA-N 339.395 2.902 0 50 EFAA Cc1nn(CC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c(=O)o1 901000444 VNTJKQVMCDOSAU-FMQWLBJXSA-N 341.411 2.629 0 50 EFAA CCCC(=O)NCC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 151635137 JNCKRNRNMMJVSS-KRWDZBQOSA-N 344.455 2.947 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1 178171 HQOMKYWUOQWZJM-UHFFFAOYSA-N 332.444 2.907 0 50 EFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1F 311030 VIHXFNVLHORNAN-UHFFFAOYSA-N 348.355 2.659 0 50 EFAA CCOC(=O)COc1c(Br)cc(C=O)cc1OCC 336066 YZGGSTPZPGACLT-UHFFFAOYSA-N 331.162 2.602 0 50 EFAA CS(=O)(=O)N(Cc1ccccc1)c1cccc(N2CCCC2=O)c1 2356154870 NOCOSPTWQBXRTI-UHFFFAOYSA-N 344.436 2.780 0 50 EFAA COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1OC 2807328 BNMLMRYGDWBCRG-UHFFFAOYSA-N 343.305 2.866 0 50 EFAA CSc1nsc(SCC(=O)Nc2ccccc2C(=O)O)n1 4502732 HGAHTPZUQJAYNC-UHFFFAOYSA-N 341.439 2.689 0 50 EFAA CCOc1c(CN[C@@H](CC)CO)cc(Br)cc1OC 10474297 UWPFDJBLRXUAPM-LBPRGKRZSA-N 332.238 2.717 0 50 EFAA CCC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 8619621 ZJLCOBSLGVCEOL-UHFFFAOYSA-N 337.379 2.930 0 50 EFAA Cc1nc(C2(NC(=O)NC[C@H]3CCc4ccccc4C3)CCC2)no1 117499053 GFLRUIZZHQSWLX-AWEZNQCLSA-N 340.427 2.862 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)NCc3nc(C(C)C)c(C)s3)C2)n1 347424171 JAMMKLICHSSLKR-GFCCVEGCSA-N 349.460 2.965 0 50 EFAA CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCN1C(C)C 67966512 VKOWZQHYZTWLKP-KRWDZBQOSA-N 330.476 2.627 0 50 EFAA COCc1nc2cc(C)ccc2n1C[C@]1(O)CCCN2CCCC[C@@H]21 63856968 JELMCEKNHAQDSS-UYAOXDASSA-N 343.471 2.871 0 50 EFAA COc1nccnc1N1CCc2[nH]nc(CCc3ccccc3)c2C1 20600228 YVCLZICKKDQNON-UHFFFAOYSA-N 335.411 2.556 0 50 EFAA CN1C(=O)CCc2cc(NC(=O)[C@@H]3OCCc4ccccc43)ccc21 119625874 PSJRWCRUZSFIIB-LJQANCHMSA-N 336.391 2.848 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)NC(C(C)C)C(C)C)ccc21 67604826 CTRJYSRFPKTCJW-UHFFFAOYSA-N 338.473 2.555 0 50 EFAA CC(C)N1CCC(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)CC1 65371732 SVMZDMQFOPRVJP-CQSZACIVSA-N 349.500 2.631 0 50 EFAA CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s[nH]1 329805651 ASLYHODESAVANT-QWRGUYRKSA-N 338.477 2.679 0 50 EFAA O=C(CN[C@@H]1CCCC[C@H]1n1cccn1)Nc1nc2c(s1)CCC2 127965620 BFCIFAZINBWPLD-TZMCWYRMSA-N 345.472 2.540 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 253421057 OOTFNLSBXQABBN-NVXWUHKLSA-N 341.386 2.712 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)NCc2nccn2CC(C)C)o1 173452535 MPADFGRTGZJOJY-OAHLLOKOSA-N 346.431 2.724 0 50 EFAA Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2cncc(-c3ccccc3)n2)C1 253420410 VBCUONTWEOIMRL-VQIMIIECSA-N 349.438 2.827 0 50 EFAA CNC[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 237287273 RGTWXKAGXNBDHS-CYBMUJFWSA-N 326.387 2.582 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)c(C)o2)cc1 237461389 UNFKCJPKPUQAPB-SWLSCSKDSA-N 343.427 2.858 0 50 EFAA Cc1ccc(N2CC[C@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 173977010 YPQARIWJWXIYJI-INIZCTEOSA-N 337.379 2.543 0 50 EFAA O=C(N[C@@H]1COc2c(Cl)cccc21)c1ccnc(-n2ccnc2)c1 378101064 MCVOZFIVDJZRDN-CQSZACIVSA-N 340.770 2.784 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H](C)c1c(C)nn(C)c1C 262945247 ICDKCGPHMLHILF-LLVKDONJSA-N 345.399 2.551 0 50 EFAA Cc1cc(C)cc(N2CCN(C(=O)CCc3cccnc3)CC2=O)c1 77355137 REPMJRJKWRVTTQ-UHFFFAOYSA-N 337.423 2.506 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)cc1 72463599 QWDDZFRYSORLHF-XLIONFOSSA-N 331.456 2.625 0 50 EFAA COc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(OC(C)C)c1 262222586 UPONSVHSPPDLPB-UHFFFAOYSA-N 335.400 2.856 0 50 EFAA Cc1csc(N2CCC(NC[C@@](C)(O)c3ccc(C)o3)CC2)n1 241719801 QPSKXRBYVMVPRO-QGZVFWFLSA-N 335.473 2.819 0 50 EFAA O=C1CCCC[C@H](Cc2nc(-c3c(Cl)nc4ccccn34)no2)N1 377471656 JTKGUZOOWFSAQX-SNVBAGLBSA-N 345.790 2.639 0 50 EFAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 263245516 CZFMIGMSEYBCQR-FBIMIBRVSA-N 331.290 2.620 0 50 EFAA COc1cccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)c1OC 284507142 CZQOYVUWGSSKGP-BRWVUGGUSA-N 335.444 2.720 0 50 EFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 71589493 RRJIAZCCMLYLKT-INIZCTEOSA-N 349.438 2.918 0 50 EFAA CN(C)C1(CNC(=O)c2ccc3ccc(Cl)cc3n2)CCOCC1 175895749 SWQZCHVUFHRHLN-UHFFFAOYSA-N 347.846 2.729 0 50 EFAA O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 287094067 WWASSNCWLNLVGF-LBPRGKRZSA-N 341.498 2.572 0 50 EFAA CNc1ncc(CN(C)C(=O)c2csc(-c3cccs3)n2)cn1 82121963 ICKXBMDRMGETPX-UHFFFAOYSA-N 345.453 2.976 0 50 EFAA O=C(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19620084 YQZSTNKUWWDODR-UHFFFAOYSA-N 342.370 2.512 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1F 178078493 RRWBGOUFUBDDCS-WBVHZDCISA-N 349.450 2.503 0 50 EFAA CCCCNC(=O)CN(C)C(=O)c1ccc(-c2ncccc2F)cc1 426677842 DNZMRPQFBYHNLT-UHFFFAOYSA-N 343.402 2.876 0 50 EFAA c1cc2c(cc1CN[C@H]1CCOC3(CCOCC3)C1)OCCCO2 82100251 XJCMWXDQTKXWOK-INIZCTEOSA-N 333.428 2.666 0 50 EFAA CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C)cn1 179344363 DEJOANBSSQPMLM-CHWSQXEVSA-N 336.436 2.834 0 50 EFAA Cc1nc2cc(CNC(=O)CCCN3CCCCC3)ccc2n1C 95387693 PPTQGFIAJHZSKL-UHFFFAOYSA-N 328.460 2.764 0 50 EFAA CCc1cc(N2CC[C@H](Cc3cccc(CO)c3)C2)nc(N(C)C)n1 91547803 CQULRSGDFPQNQK-MRXNPFEDSA-N 340.471 2.666 0 50 EFAA CCn1cnnc1C1CCN(C(=O)c2c[nH]c(C(F)(F)F)c2)CC1 293148350 SHCQJZUNFKBHGL-UHFFFAOYSA-N 341.337 2.665 0 50 EFAA O=C(Cc1ccc(O)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91847913 NKULJUYMCNHOIW-QZTJIDSGSA-N 328.456 2.658 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1CCCN(C)C1)nn2C 92020203 XGWBHSPTCXGAFB-OAHLLOKOSA-N 328.460 2.620 0 50 EFAA Cc1cc(C)n([C@H](C)CNC(=O)c2cnc(CN3CCCC3)s2)n1 97514954 RDTZQGGQXCRVJS-CQSZACIVSA-N 347.488 2.543 0 50 EFAA CSCCc1nc(C[C@H]2CCc3ccccc32)n(CC(=O)O)n1 97370338 PQMVVCOVICLDMJ-CYBMUJFWSA-N 331.441 2.541 0 50 EFAA COc1cc(C)c(CN2CCC[C@H](CN3CCN(C)CC3)C2)cc1C 97814996 NHUDVYYVLYRZFK-LJQANCHMSA-N 345.531 2.771 0 50 EFAA CCCSc1ccccc1NC(=O)N[C@@H]1C=CS(=O)(=O)C1 96162125 XUDQUJWECSOVRH-LLVKDONJSA-N 326.443 2.621 0 50 EFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1 244218984 VYSFJDALUXEEDD-UHFFFAOYSA-N 342.892 2.979 0 50 EFAA CC[C@@H](c1ccccc1)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 269621480 DYOWHKBQBCKRLU-RDJZCZTQSA-N 336.443 2.786 0 50 EFAA COC1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)CC1 534667010 RABWIBYMMGPPDB-ZDUSSCGKSA-N 346.406 2.893 0 50 EFAA CN1CCCC[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 299772407 WMOKSPHRNGNGDV-CQSZACIVSA-N 348.834 2.533 0 50 EFAA Cc1cccc2oc(CNC(=O)CCN3CCCCCC3=O)nc12 299786903 UOVBKDLBQRXPIV-UHFFFAOYSA-N 329.400 2.545 0 50 EFAA CCn1ccc2cc(CN3CC[C@@H]4OCc5cnnn5[C@@H]4C3)ccc21 1076018072 WOLMOMCIWZDOQG-MOPGFXCFSA-N 337.427 2.599 0 50 EFAA CO[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)NCc1ccsc1 1875362582 KXIDQDRLVFABEC-CVEARBPZSA-N 337.466 2.870 0 50 EFAA Cc1cccc(CO)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 1875379204 PEPIEPGVYYYSEZ-UHFFFAOYSA-N 339.244 2.844 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1conc1C1CCC1 1875314771 RNHWEJKUAWBXHU-MNOVXSKESA-N 344.415 2.628 0 50 EFAA O=C(NC1CCC(c2ccccc2)CC1)C1CC2(C1)CS(=O)(=O)C2 952879512 JDLUOKQLNHWEHG-UHFFFAOYSA-N 347.480 2.654 0 50 EFAA O=C(O)C1(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCC1 1875270825 KRBVHMBUDRREHN-GFCCVEGCSA-N 345.317 2.500 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3cc(C4CC4)n(C)n3)n[nH]2)o1 885916812 MEOJBLDFJJFUAP-UHFFFAOYSA-N 325.372 2.519 0 50 EFAA CCn1nccc1C1CCN(Cc2nnc([C@H]3CCCOC3)o2)CC1 886091366 SFEQBHWVFARNFW-HNNXBMFYSA-N 345.447 2.560 0 50 EFAA Clc1ncc(CN(Cc2cncnc2)[C@H]2CCCNCC2)s1 886066094 GNJCGJONJLSFIL-ZDUSSCGKSA-N 337.880 2.731 0 50 EFAA O=C(NCc1cccc2c1OCCO2)N[C@@H](c1cccnc1)C1CC1 893886760 VXINISBNQHQBMS-QGZVFWFLSA-N 339.395 2.803 0 50 EFAA Nc1nc(N2CCCC[C@@H]2c2nccs2)nc(C(F)(F)F)n1 892185145 HKOMXVGCEICJMR-SSDOTTSWSA-N 330.339 2.661 0 50 EFAA O=S(=O)(CCC1CC1)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1775985680 QBAHRXALRCTZJU-UHFFFAOYSA-N 334.323 2.519 0 50 EFAA O=S(=O)(C[C@H]1CCCC2(CCC2)O1)NCc1cc(F)ccc1F 1413291473 MFPLGGVAESFZAI-CQSZACIVSA-N 345.411 2.876 0 50 EFAA O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)s1 271514863 LXXKADDSYJDGQA-VXGBXAGGSA-N 325.817 2.616 0 50 EFAA CCC[C@H](CNc1ccc2nnc(-c3ccncc3)n2n1)OCC 631384813 XLUBDIMFXRLBMB-CQSZACIVSA-N 326.404 2.803 0 50 EFAA C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)CCNCC2 276770539 VTCQSGFLNQULKJ-MGPUTAFESA-N 338.451 2.617 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)NCc3cccc(F)c3)C2)no1 170889383 HNKOHGCIOZTGGZ-CQSZACIVSA-N 332.379 2.681 0 50 EFAA FC(F)(F)c1cnc(N2CCC(CN3CCOCC3)CC2)s1 302784486 UUQPARUPAVDAHD-UHFFFAOYSA-N 335.395 2.711 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1 189677820 DYTBBKBSDBXCNU-RDJZCZTQSA-N 332.444 2.976 0 50 EFAA Cc1ccc(F)c(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1 408517010 NBMONUOFDXUCFD-IBGZPJMESA-N 326.371 2.921 0 50 EFAA CCn1cc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)cn1 195111535 BSPSXZZDRQTBIQ-UHFFFAOYSA-N 326.322 2.807 0 50 EFAA O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cnns1 195328844 OTKNKDFZGPNPPU-UHFFFAOYSA-N 331.397 2.509 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 663048688 KKPAOVXNJQCYCH-IBGZPJMESA-N 341.363 2.717 0 50 EFAA O=C(c1cc(Cl)no1)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1455316807 PDSZWOIFALJLRW-HNNXBMFYSA-N 346.749 2.978 0 50 EFAA CCc1c(C)noc1NC(=O)c1ccc(CSc2nc[nH]n2)o1 1529114577 QGTRGBXIABVBCQ-UHFFFAOYSA-N 333.373 2.801 0 50 EFAA CCCn1nc(C)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1C 1529153914 WPYKMSDDMNHDHU-CQSZACIVSA-N 326.400 2.974 0 50 EFAA Cc1noc(C)c1CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704342092 GEPKBYYHCJCNIS-OXQOHEQNSA-N 337.423 2.875 0 50 EFAA COCC[C@H](C)N1CCCN(C(=O)c2ccc(C)c(OC)c2)CC1 1772819825 UXRDHIJBTFXBAI-INIZCTEOSA-N 334.460 2.577 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2c(O)cccc2F)n1 1772710143 RMGQESHEUNLGPE-UHFFFAOYSA-N 329.253 2.579 0 50 EFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@@H]4C[C@@]4(C)C3)c2)on1 1775977508 JLSJWROTYVRKEA-YOEHRIQHSA-N 332.425 2.989 0 50 EFAA COc1cccc(OCc2nc(C(=O)N(C)Cc3ccon3)co2)c1 11662235 CUCXOYANXYJHPZ-UHFFFAOYSA-N 343.339 2.522 0 50 EFAA O=C(NCc1cccnc1)c1coc(COc2cccc(F)c2)n1 12075008 KZYMERIZOIOLMJ-UHFFFAOYSA-N 327.315 2.718 0 50 EFAA CC[C@@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C 12302361 NGCFBVRWBZXTBX-CQSZACIVSA-N 327.494 2.707 0 50 EFAA OCC1(CCOc2ccccc2)CCN(CCCn2cccn2)CC1 12745321 GPNSLTYXGHEHOG-UHFFFAOYSA-N 343.471 2.817 0 50 EFAA O=C(NCC(F)(F)F)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12749085 FAYBEQFTHNRGBS-NSHDSACASA-N 348.752 2.757 0 50 EFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14732247 BXCZAXMRASFFDS-HNNXBMFYSA-N 329.444 2.714 0 50 EFAA Cc1ccc(CN2CCC(=O)N(CCN3CCCCC3)CC2)cc1 14995281 XLQLDDSFNKSMOP-UHFFFAOYSA-N 329.488 2.515 0 50 EFAA CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 16622880 ZHECTRYTJBPIGD-UHFFFAOYSA-N 348.424 2.675 0 50 EFAA CN(CCOCCN)c1ncnc2scc(-c3ccccc3)c12 1857527675 FAQUOEIXMLNWMY-UHFFFAOYSA-N 328.441 2.770 0 50 EFAA Cc1nc(N2CCN(c3ccc(F)cn3)[C@H](C)C2)nc2c1CCC2 1857674241 ZNQDSUJDOQSTBP-GFCCVEGCSA-N 327.407 2.523 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCCOc1cccnc1 1857727415 ROLVDKCHVUEJNO-UHFFFAOYSA-N 336.395 2.979 0 50 EFAA CNc1cc(N2CCC[C@H]2CNc2ncc(Cl)cc2F)ncn1 430007893 SZTZIVMSCWTMON-NSHDSACASA-N 336.802 2.787 0 50 EFAA Fc1cccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)c1 129675786 USKUERLGJLNUOK-HNNXBMFYSA-N 345.418 2.635 0 50 EFAA C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@@H](CN)C1 246667562 DZIBLWBYVNLAJG-GJZGRUSLSA-N 339.439 2.652 0 50 EFAA COc1ccc(C(=O)NCC2CCN(C)CC2)c(OCC(C)C)c1 252487924 IEVZNJLUXUXTMH-UHFFFAOYSA-N 334.460 2.802 0 50 EFAA Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)n3)CC2)c1 354813457 ZASVAIUAYCBIII-KRWDZBQOSA-N 339.439 2.815 0 50 EFAA CSC1(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)CCC1 390835764 XWEWOGIZIAQZIT-UHFFFAOYSA-N 326.849 2.989 0 50 EFAA O=C(Cc1ccc(Br)c(Cl)c1)N[C@H]1C[C@H](C(=O)O)C1 909995171 IZNKTDFPQCUPIX-KYZUINATSA-N 346.608 2.624 0 50 EFAA Cc1cccc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)c1Cl 910615120 GRHDRUQGEODTSI-JKGQDXBKSA-N 337.803 2.791 0 50 EFAA CCc1c(NC(=O)N2CC[C@@H](c3noc(C)n3)C2)cnn1CC(C)C 930559130 NKZUDOWXEJUZAW-CYBMUJFWSA-N 346.435 2.814 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)c1ncc(C(F)(F)F)cc1Cl 935483002 SDUAAFZZXJQJCK-UHFFFAOYSA-N 346.696 2.944 0 50 EFAA Cc1csc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 229948161 KIFMGBFLKGJSDG-SJORKVTESA-N 329.469 2.537 0 50 EFAA O=C(c1cscc1Br)N1CCC[C@@H](n2cncn2)C1 408074363 ZWHZBSOFFWWIHF-SECBINFHSA-N 341.234 2.579 0 50 EFAA N[C@@H](CC(=O)O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 2325761527 PCHZTQQPFQICSB-QWHCGFSZSA-N 344.333 2.561 0 50 EFAA CC1(C)CC(=O)O[C@@H]1CN=c1nc(-c2ccncc2)[nH]c2ccccc12 2325767394 DUXQCZQGBCEJSS-MRXNPFEDSA-N 348.406 2.867 0 50 EFAA Cc1cc(C)cc(-c2nnc(Sc3cccc(C(N)=O)n3)o2)c1 2325869547 SPNLRDROMFKVRV-UHFFFAOYSA-N 326.381 2.999 0 50 EFAA Cc1nc(N2CCC[C@@H](NC3CCOCC3)C2)nc2ccccc12 882727511 YHQRHJGNPHNWQS-MRXNPFEDSA-N 326.444 2.676 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc(O)c3)C2)no1 112460157 RJAZZAJAYOSZLB-JSGCOSHPSA-N 344.415 2.809 0 50 EFAA COc1ccc(OC)c(NC(=O)Cn2c(=O)sc3ccccc32)c1 89371 FDAYHRNEHWPMQM-UHFFFAOYSA-N 344.392 2.719 0 50 EFAA NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 195348 JUSNOKNLHBKTAS-UHFFFAOYSA-N 349.184 2.566 0 50 EFAA COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)cc1 2190202 GSTIRNVLHLYXLY-UHFFFAOYSA-N 341.363 2.840 0 50 EFAA CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 2961240 NKXDGOWDFKXFGK-UHFFFAOYSA-N 337.423 2.536 0 50 EFAA CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)C1CCCCC1 4839981 ACNIZFQBQAGCOK-UHFFFAOYSA-N 344.521 2.810 0 50 EFAA CCC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C 6665073 LOYRVNIRYRQGKK-UHFFFAOYSA-N 325.416 2.978 0 50 EFAA CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1CC 6746780 YFRBPEPFUJNPGD-UHFFFAOYSA-N 331.397 2.629 0 50 EFAA Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)OC[C@H]3CCCO3)C2)n1 246999179 NUFCGUNUMPVLLV-RRFJBIMHSA-N 338.473 2.742 0 50 EFAA CCN(Cc1nc(COC)no1)C(=O)c1cccc(Cl)c1F 55035998 HBLZFJRJVQVMOW-UHFFFAOYSA-N 327.743 2.671 0 50 EFAA CC(C)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741084 KZCIWLJKKPMAEN-LLVKDONJSA-N 338.477 2.885 0 50 EFAA C[C@H]1CN(c2ccc(C(=O)N[C@H](C)Cc3ccco3)cn2)C[C@H](C)O1 229234674 MVEKSGOWMRJRMZ-ILXRZTDVSA-N 343.427 2.649 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H](COCc2ccccc2)C1)[C@@H]1CCCO1 229341569 ZQAAWZYUBHNBMB-JQHSSLGASA-N 332.444 2.802 0 50 EFAA CCOc1ccc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)o1 55413035 BMTCLQJOPOTUNY-UHFFFAOYSA-N 349.431 2.800 0 50 EFAA CCN(C(C)=O)[C@H]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 55281507 GRGRICQYQIQXJS-KRWDZBQOSA-N 330.407 2.659 0 50 EFAA CN(C)[C@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1 65370285 QGODBAJGBNTGNG-SFHVURJKSA-N 327.403 2.629 0 50 EFAA Cc1c(CN2CC[C@H](CNS(=O)(=O)C3CC3)C2)oc2ccccc12 67818457 KSUQOTPEMVSCAB-CQSZACIVSA-N 348.468 2.645 0 50 EFAA Cc1cc(Cl)cc(Br)c1OCCNCCN(C)C 20418761 SQJOXEUGDQYCFM-UHFFFAOYSA-N 335.673 2.941 0 50 EFAA Cn1cc(CN2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cn1 11814793 JSCVUFYOUYOCEL-SFHVURJKSA-N 335.398 2.516 0 50 EFAA Cc1cc(NC(=O)CSc2cccnn2)n(-c2ccc(F)cc2)n1 358275495 WLQMQYVRGCBECY-UHFFFAOYSA-N 343.387 2.841 0 50 EFAA C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(-n3ccnc3)c2)NC1=O 354595746 HUHIFPDRGIHNFO-GFCCVEGCSA-N 348.362 2.844 0 50 EFAA O=C(CCc1ccncc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72129254 VAAWJHMRKGGKEJ-NRFANRHFSA-N 349.478 2.716 0 50 EFAA O=C1CC[C@@H](C(=O)N2CCO[C@@H](c3ccsc3)C2)n2cccc21 329822989 BAPPRXFGZQAPMP-GOEBONIOSA-N 330.409 2.667 0 50 EFAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCc2ccco2)cc1 363681716 DSLZMQBZYLSBTB-QGZVFWFLSA-N 342.395 2.851 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@]4(CCOC4)C3)cc2F)n1 154736235 IKAMRDDZPCZNII-IBGZPJMESA-N 343.402 2.881 0 50 EFAA C[C@H]1OCCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@@H]1C(=N)O 330591080 QOACIIMPIYRKBZ-HQJQHLMTSA-N 334.269 2.609 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1c[nH]nc1C1CCCCC1 219610454 JDRLTQAPUIPUGV-IAGOWNOFSA-N 347.459 2.771 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(Cc2ccc3cc(O)ccc3c2)C1 216384125 NEURQXVUTXJEHG-HNNXBMFYSA-N 333.453 2.802 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(OC)cc3)c2)C1 237264096 NICGKYGABBSHOZ-HNNXBMFYSA-N 339.439 2.829 0 50 EFAA CCOc1ccc(CC(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1 219026691 CCRQQTBBHYIUAW-KRWDZBQOSA-N 327.428 2.915 0 50 EFAA Cn1ccnc1COc1ccc(NC(=O)CCC2CCNCC2)cc1 237883858 SCQSPRSOKKTTRD-UHFFFAOYSA-N 342.443 2.717 0 50 EFAA Cc1nc2ccccn2c1CN1CCC[C@H](CCC(=O)N(C)C)C1 72139098 HULQMAVXJYDKGO-MRXNPFEDSA-N 328.460 2.723 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1C[C@H]1C(=O)O 262576483 DMLWHFAMQGHQBE-AEGPPILISA-N 344.411 2.669 0 50 EFAA COCCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72418362 WXUVMSCLEAQQBQ-UHFFFAOYSA-N 331.334 2.552 0 50 EFAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 72478855 OOENWGGGLDYSIS-FQEVSTJZSA-N 349.478 2.839 0 50 EFAA CCc1ocnc1C(=O)N1CC[C@H](Cc2ccc(C(=O)O)cc2)C1 72473498 ZNXTWMDLBGOSNO-CYBMUJFWSA-N 328.368 2.640 0 50 EFAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cncs1 239654295 BNHQNAFZRCVVFB-UHFFFAOYSA-N 343.330 2.996 0 50 EFAA O=C([C@H]1CSCCS1)N1CCC[C@H](c2noc(C3CC3)n2)C1 239637024 BIIPFOIOSFHSEY-NWDGAFQWSA-N 339.486 2.502 0 50 EFAA CO[C@@H]1CCCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 246157769 VAPQYAFYONRLOB-ZYHUDNBSSA-N 337.420 2.873 0 50 EFAA O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)[C@@H]1COc2ccccc2C1 339118673 FOARBMFTTSCLOY-AWEZNQCLSA-N 335.363 2.972 0 50 EFAA COc1ccc(C2(C(=O)NCCSc3cn[nH]n3)CCCC2)cc1 221384055 LMALEJMVUGTHFH-UHFFFAOYSA-N 346.456 2.534 0 50 EFAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225789323 WCVNMKXBALFYLT-WCVJEAGWSA-N 345.395 2.585 0 50 EFAA CC(C)c1nc(CNC(=O)N2CCN(c3cccnc3)CC2)cs1 426428812 DCAIBPFUNITSAI-UHFFFAOYSA-N 345.472 2.693 0 50 EFAA C[C@H]([C@@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O 43135890 NEYMFDJFZULCQI-DIFFPNOSSA-N 326.327 2.937 0 50 EFAA CCOc1nnc(CN2CCC[C@](CO)(Cc3ccccc3)C2)s1 291150296 AHAPQPOKGUKYKF-SFHVURJKSA-N 347.484 2.754 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cc1=O 82107698 HUQIGQMIFDTVJR-KRWDZBQOSA-N 338.407 2.603 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1CC[C@H](Cc2ccc(CO)cc2)C1 91745202 FSZUNKFDNNWLSU-MRXNPFEDSA-N 335.407 2.760 0 50 EFAA CN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@H]1CCSC1 178896429 OGMFVEMPHRRYQP-SFHVURJKSA-N 347.528 2.840 0 50 EFAA OC1CCN(c2ccnc(C[C@H]3CCOc4ccccc4C3)n2)CC1 95507317 KSMJCUJANLDPSA-HNNXBMFYSA-N 339.439 2.622 0 50 EFAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)N3CCCCCC3)C2)cc1 91305392 REQKAEYWPWZSAW-DLBZAZTESA-N 343.471 2.562 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccccc2C)C1 91738246 MQJZCKWGUJHGIV-LJQANCHMSA-N 333.428 2.658 0 50 EFAA Cc1c(CNC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cnn1C 179336368 IFRXWWPXSZFZCO-IBGZPJMESA-N 349.438 2.845 0 50 EFAA CSc1ccc2c(c1)CCN(C(=O)CCn1c(C)cccc1=O)C2 97076218 PHBRHJQTXRDFDM-UHFFFAOYSA-N 342.464 2.854 0 50 EFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCc1cn[nH]c1 95358800 IUIXNEOPZXRFLI-OAHLLOKOSA-N 325.416 2.632 0 50 EFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1cc(=O)[nH]c2ccccc12 91563070 NTCKKRNKDOQQLC-OAHLLOKOSA-N 347.296 2.957 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(c2nccc(C(F)(F)F)n2)C1 91808713 ZXZZFXUKUWFNIP-CQSZACIVSA-N 347.337 2.593 0 50 EFAA CC1(C)CN(C(=O)c2ccnc3ccncc23)C[C@@H](C(F)(F)F)O1 293881453 YZWHKMRTORNKDG-ZDUSSCGKSA-N 339.317 2.812 0 50 EFAA Cc1nonc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91737744 WWCVQDOOUJGSSB-UHFFFAOYSA-N 332.448 2.525 0 50 EFAA Cc1nn(C)c2nc(NC3CCN(C(=O)C4CCCC4)CC3)sc12 96148884 NFFKTQJYLYMEKK-UHFFFAOYSA-N 347.488 2.931 0 50 EFAA Cc1ccn2cc(CNC(=O)[C@H]3CCOc4ccccc4C3)nc2c1 97784719 FOJYIFWKCBKXRP-INIZCTEOSA-N 335.407 2.900 0 50 EFAA CCn1nc(CNC(=O)CC[C@@H]2CCCCN2C)c2ccccc21 95352321 CLMQLSMBTTWABD-HNNXBMFYSA-N 328.460 2.937 0 50 EFAA c1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ccn1 91693697 SDZCTHDRNQDREF-UHFFFAOYSA-N 349.442 2.637 0 50 EFAA Cc1nc(NCc2ccc(-n3cccn3)cc2)cc([C@H]2C[C@@H](O)C2)n1 243893159 AOPGSOPUQQCIFI-WOVMCDHWSA-N 335.411 2.821 0 50 EFAA O=C(NC1CCC(C(=O)O)CC1)c1ccccc1OC[C@@H]1CCCO1 299744973 QJUSZCZMEJUVPK-NRXISQOPSA-N 347.411 2.618 0 50 EFAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(Oc2ccccc2)c1 299745762 SGAVOFWSVDNAQW-CJNGLKHVSA-N 328.343 2.517 0 50 EFAA Cc1cc(C)cc(OCCNC[C@@H]2CCO[C@H]2c2ccnn2C)c1 299743248 MQQJKOZMBFFKAV-QFBILLFUSA-N 329.444 2.783 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCCN1CCCCCC1 534671596 QLWGJBPGHQMISL-GOSISDBHSA-N 333.476 2.628 0 50 EFAA Cc1ccc(OC[C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1 534593310 LIPQTLNYKFVRBY-CQSZACIVSA-N 342.443 2.816 0 50 EFAA CCc1ccccc1OC1CN([C@H](C)C(=O)Nc2ccccn2)C1 299791180 CQXCTPVALCLFIB-CQSZACIVSA-N 325.412 2.734 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N1CCN(Cc2cccs2)CC1 299761881 ZOVDGXZDGSBFFJ-CQSZACIVSA-N 332.473 2.549 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)cc1 872765486 OVILXSILALBQOI-CYJAXWMASA-N 329.396 2.655 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCc2cccc(OC(C)C)c2)CC1 1875369513 SMLPEWOCIWCLKK-UHFFFAOYSA-N 330.428 2.515 0 50 EFAA Cc1cc(C(=O)N=[S@@]2(=O)CCC[C@@]3(CCCN3)C2)cc(C)c1F 1875393162 IDXPLLSAYFIPPD-GAJHUEQPSA-N 338.448 2.967 0 50 EFAA CCN(CC)C(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 952884325 XZPFHWVANXWUMW-JTQLQIEISA-N 333.358 2.611 0 50 EFAA Cc1nc(C(C)C)[nH]c(=N[C@@H]2CCn3ccnc32)c1Br 1875287113 VOYZPQZEUDITJB-SNVBAGLBSA-N 336.237 2.846 0 50 EFAA O=C(N=c1[nH][nH]cc1C1CCC1)Nc1ccc(Cn2ccnc2)cc1 1875289560 ALBLZXAJXAUDMU-UHFFFAOYSA-N 336.399 2.988 0 50 EFAA CN(C)CCN(C)C[C@H]1CC[C@@H](Cc2cccc(C(F)(F)F)n2)O1 952854509 BMNOLNUTQMWOGO-LSDHHAIUSA-N 345.409 2.684 0 50 EFAA C[C@H]1CCc2nc(NC(=O)N3CCOCC(F)(F)C3)sc2C1 888102461 GRZMXTHRTJHJPA-VIFPVBQESA-N 331.388 2.767 0 50 EFAA CCc1nc2ccccc2n1CC(=O)N[C@H](c1cnn(C)c1)C(C)C 885424053 JPMBVMDUTFAGRD-IBGZPJMESA-N 339.443 2.846 0 50 EFAA COc1ccc(Cl)cc1Cc1nnc([C@H]2CN(C)C[C@@H](C)O2)o1 888078946 LSFBXNBAXRFONP-QMTHXVAHSA-N 337.807 2.714 0 50 EFAA CC(C)CCN1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2CCCN(C)C2)C1 43619969 VDTDXIUWOBLAMG-OTWHNJEPSA-N 335.536 2.687 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC2(CCC[C@@H]2CN)CC1 1772315174 JXRWTIPDPRSJLY-RHSMWYFYSA-N 346.519 2.583 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)cn1 1776274813 CFPBMPHKQIPMMI-UHFFFAOYSA-N 348.424 2.807 0 50 EFAA CC[C@@H](NC(=O)NCc1ccc(Oc2ccccc2)cc1)C(N)=O 1477733437 PFLJKLNVDUDETI-MRXNPFEDSA-N 327.384 2.542 0 50 EFAA CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)[C@@H]1CC13CC3)CCC2 1361530816 VMBJFGMIBMNSCK-NSHDSACASA-N 332.404 2.767 0 50 EFAA Cc1cccc(C2(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)CCCC2)c1 274035185 DTBFSNWITJHGIR-KRWDZBQOSA-N 349.496 2.842 0 50 EFAA Cc1ccncc1S(=O)(=O)N1CCCN(C)c2ccc(F)cc21 408461506 VLYCXKUVUJUPBI-UHFFFAOYSA-N 335.404 2.564 0 50 EFAA CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(F)nc1 408521755 ATFZCNPPHOPICD-UHFFFAOYSA-N 325.384 2.644 0 50 EFAA CCS[C@@H]1CC[C@@H](NC(=O)NCC[S@@](=O)c2ccccc2)C1 170644843 FNFAPJUFJZYZNF-XDEPDNQISA-N 340.514 2.768 0 50 EFAA CC(C)c1ccc(N2CC[C@@H](c3nc(C[S@@](C)=O)no3)C2=O)cc1 225596121 BBLWINVAUJTHRS-LFPIHBKWSA-N 347.440 2.592 0 50 EFAA CCS(=O)(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccccc2)cc1 225518742 DNIRFFNHJHQIGB-ZDUSSCGKSA-N 332.425 2.919 0 50 EFAA CCn1cc(S(=O)(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cn1 280901282 GVLAUTIMFYOOKM-ZFWWWQNUSA-N 337.420 2.657 0 50 EFAA COC[C@H](C)n1ccc(NC(=O)N2CCCC[C@@H](SC)C2)n1 189898593 HQVXBQUXDNUUEK-QWHCGFSZSA-N 326.466 2.840 0 50 EFAA COc1ccc(NC(=O)N[C@H]2C[C@H]2C)c(I)c1 192433020 OGFNSWWIRXVOKF-HQJQHLMTSA-N 346.168 2.830 0 50 EFAA Cc1ccc(N2CCCN(c3ncnc4c(C)csc34)CC2)nn1 192567533 TUCFCDBFLRAHCO-UHFFFAOYSA-N 340.456 2.815 0 50 EFAA Cc1cccc(NC(=O)CN(C)c2ncnc3onc(C)c23)c1C 195505857 VMAPRLVCRZRGTF-UHFFFAOYSA-N 325.372 2.618 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCO[C@@](C)(C(F)F)C1 660750328 BQEUMJFDGXLEKQ-QLJPJBMISA-N 346.349 2.961 0 50 EFAA Cc1cccc(OC[C@H](O)CN2CCc3ccc(O)cc3CC2)c1 676681936 AXDOHWDRZUHOAI-LJQANCHMSA-N 327.424 2.541 0 50 EFAA CC(C)Sc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc32)s1 1506420625 IXXUSPVSWTXXSI-LLVKDONJSA-N 348.453 2.852 0 50 EFAA COCCOC1CCN(C(=O)C(C)(C)Nc2ccc(C)cc2)CC1 1506423155 SXUOBBXNPDOPCC-UHFFFAOYSA-N 334.460 2.840 0 50 EFAA O=C(c1ccc2nn[nH]c2c1)N1CCC([C@H](O)c2cccs2)CC1 1506402909 QEGXEUPJPYMHFL-INIZCTEOSA-N 342.424 2.605 0 50 EFAA CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc1Cl 1772706450 QOSYWAQLTLTEQT-AAEUAGOBSA-N 336.819 2.574 0 50 EFAA Cc1ccc2c(C(=O)NCCCn3nc(C)c(C)c3C)cnn2c1 1772707100 YKFQEEPUSNZOOK-UHFFFAOYSA-N 325.416 2.585 0 50 EFAA O=C(CCc1nnc(COc2ccccc2)o1)NCCc1ccco1 11765565 WYEJSFLWEVZFJL-UHFFFAOYSA-N 341.367 2.533 0 50 EFAA CN1N=C(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)CCC1=O 12053084 VPFASEAHLMWTTJ-CQSZACIVSA-N 345.418 2.605 0 50 EFAA CCOc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 13672664 WQNLVCDOGIOTJV-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA O=C1CCN(C(=O)c2ccsc2)CCN1Cc1ccccc1F 15008792 UXWYXQUQFLTHMO-UHFFFAOYSA-N 332.400 2.762 0 50 EFAA CN(Cc1cccc2cnccc12)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 15070841 JXXCDZFLDWIZIO-MRXNPFEDSA-N 337.423 2.594 0 50 EFAA Nc1nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2s1 19228780 OPJXJXAHHCMTSY-UHFFFAOYSA-N 338.436 2.841 0 50 EFAA O=C(c1ccn2ncnc2c1)N1CCC(c2nc3ccccc3o2)CC1 1857677190 ZALRXHCVOYEBBL-UHFFFAOYSA-N 347.378 2.890 0 50 EFAA Clc1ccc2c(c1)CN([C@@H]1CCOC3(CCNCC3)C1)CCO2 1857683164 WZIFZLRZUSAZMG-MRXNPFEDSA-N 336.863 2.836 0 50 EFAA CC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857703172 MDCGOOBYDYDOLG-GOSISDBHSA-N 344.455 2.631 0 50 EFAA O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c[nH]c(=O)c2ccccc12 225543677 FBKSMOCNLVGXDM-SUMWQHHRSA-N 328.412 2.589 0 50 EFAA C[C@H](NC(=O)COC1CCNCC1)c1ccc(Cl)cc1Cl 111795206 JYGGNTLMUMEGQE-JTQLQIEISA-N 331.243 2.939 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(c1ncnc3c1cnn3C)C2 420644468 YVVADRQQZAPKNU-UHFFFAOYSA-N 339.399 2.550 0 50 EFAA Cn1ccnc1C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 119731514 WJKMUBXODDUGJI-OAHLLOKOSA-N 336.439 2.925 0 50 EFAA C[C@@H](CC(=O)N1CCC(N2CCCCC2=O)CC1)c1ccncc1 122442965 CGIKKTRHNNPYHB-HNNXBMFYSA-N 329.444 2.579 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 330171545 FNXYEFSEUYLYQU-ZFWWWQNUSA-N 330.428 2.765 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1CC[C@H](c2nc(C)no2)C1 331936126 LZBCMLOGSGBLPQ-NSHDSACASA-N 335.791 2.599 0 50 EFAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccc(Cl)cc2F)cnn1C 332040413 UPSKNXUTCWVREY-LSDHHAIUSA-N 337.782 2.781 0 50 EFAA CNC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1 237107471 XNMUEFOZUPSSDE-UHFFFAOYSA-N 336.863 2.599 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCC(C)(C)CCS(C)(=O)=O 245338867 OZOUMOMHJOHZKM-QLFBSQMISA-N 344.521 2.810 0 50 EFAA CO[C@H]1C[C@@H](C(=O)N(Cc2cccc(C)c2)Cc2ccco2)N(C)C1 343731872 LJQQWLRKHJELIU-OALUTQOASA-N 342.439 2.836 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CCOc2ccccc2F)C1 344722229 QFEHLQYNSHFQAY-HIFRSBDPSA-N 346.406 2.662 0 50 EFAA NC(=O)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(Cl)cc2)C1 264830046 ICVFJKYXEJYEIB-HNNXBMFYSA-N 342.826 2.963 0 50 EFAA O=C(NCCn1c2ccccc2c2ccccc21)[C@@H]1C[C@@H]1c1nc[nH]n1 390833563 JJQJUGOMNCFDJN-JKSUJKDBSA-N 345.406 2.833 0 50 EFAA CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1 905117874 DEPNOWYXXGILIN-VBKZILBWSA-N 349.390 2.564 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C(=O)O)cs2)c(C)c1 910105886 WZMHXZGFHWLCGD-LBPRGKRZSA-N 331.397 2.830 0 50 EFAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)C1CCC(F)(F)CC1 911051323 NUXSDTROOWCECU-CQSZACIVSA-N 339.338 2.859 0 50 EFAA Cc1ccc([C@H](O)CNCCNc2nccc(C(F)(F)F)n2)cc1 819086695 VBSZIIYARPMTIR-CYBMUJFWSA-N 340.349 2.539 0 50 EFAA CN(CC(F)(F)F)C(=O)c1ccc2c(c1)nc(O)n2CC1CC1 930538088 TZCVFQHRUFWHRR-UHFFFAOYSA-N 327.306 2.786 0 50 EFAA O=C(NCCc1c(F)cc(O)cc1F)Nc1cnc2c(c1)COCC2 930747872 AZRZZESVHQTNGO-UHFFFAOYSA-N 349.337 2.502 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(N)c1)[C@@H]1CCN(Cc2ccccc2)C1 261594145 ZNWRZGZNKAMOES-VQIMIIECSA-N 337.467 2.838 0 50 EFAA COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21 13542646 MKRKFSHHTKVRAR-HNNXBMFYSA-N 325.364 2.785 0 50 EFAA biogenic,in-vitro O=C(NCc1cc2c(cc1OC(F)F)OCO2)NC1CC2(CC2)C1 2325758165 CCUXVKUSDXQPAZ-UHFFFAOYSA-N 340.326 2.759 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1sccc1OC 2325764990 ZQTBHLGNROWRHN-SNVBAGLBSA-N 339.438 2.905 0 50 EFAA CC(C)n1cc([C@@H]2C[C@@H]2C(=O)N[C@@](C)(C(=O)O)c2ccccc2)cn1 2325780221 QIQOONQQYXUGPS-TXPKVOOTSA-N 341.411 2.684 0 50 EFAA Cc1nc(C)c(C)c(=NCCc2nc(-c3ccccn3)cs2)[nH]1 2325797093 IPPOCOZYKUHJTB-UHFFFAOYSA-N 325.441 2.997 0 50 EFAA Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2nn[nH]n2)ccc2c1CCC2 2325808048 YRNZZBANOHWHTI-SFHVURJKSA-N 347.422 2.711 0 50 EFAA COc1c(F)cc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)cc1F 245287285 BUIGKAKDTCNACE-CITXGKJTSA-N 326.343 2.502 0 50 EFAA CCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 96961 GPAUTQVPLIAENC-UHFFFAOYSA-N 338.363 2.710 0 50 EFAA CCN(CC)CCCN1C(=O)CS[C@@H]1c1ccc2c(c1)OCO2 182299 QTXWWNASIXBEBM-QGZVFWFLSA-N 336.457 2.721 0 50 EFAA COc1ccc(OC)c(-c2csc(N3CCC(C(N)=O)CC3)n2)c1 381873 MKUBSGNRQDCFTG-UHFFFAOYSA-N 347.440 2.529 0 50 EFAA CC[C@@]1(C)C[C@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 1774013 LYWNZVLBDLLGAO-OALUTQOASA-N 337.460 2.894 0 50 EFAA biogenic O=C(Nc1ccccc1F)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2113592 SLOZLQNLFSJUEA-OLZOCXBDSA-N 327.359 2.639 0 50 EFAA biogenic COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 3907362 VKMXCIDWPMDYGM-YRGRVCCFSA-N 327.446 2.807 0 50 EFAA C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncn(-c3ccccc3)n2)C1 8762018 AKZZVNGDPJHFLB-ZIAGYGMSSA-N 330.457 2.864 0 50 EFAA CCNC(=O)c1ccc(NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)cc1 344459812 HXFVMUHIXNGPBF-UHFFFAOYSA-N 349.394 2.782 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1[nH]c(-c2cccc(C)c2)nc1C 344656121 YEBRMELWXNEXME-JKSUJKDBSA-N 343.427 2.569 0 50 EFAA COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2ccccc2)cc1 20601468 ISYYUBGRJBZIEC-FQEVSTJZSA-N 338.451 2.991 0 50 EFAA CCN1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1 20406313 HLZCRGLFIDOZOX-UHFFFAOYSA-N 338.451 2.934 0 50 EFAA Cc1ccsc1CN(CC(C)C)C(=O)C[C@@H]1CCS(=O)(=O)C1 65495859 SBFDQXJGMKSEAF-AWEZNQCLSA-N 343.514 2.866 0 50 EFAA COc1cc(OC)cc(N2CC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)c1 110660716 FPOIVGHBVUNINT-HUUCEWRRSA-N 330.428 2.755 0 50 EFAA CCCc1ncc(CN2CCO[C@H](Cc3ccc(OC)cc3)C2)cn1 20295322 CQZBPBXXPKTHPB-LJQANCHMSA-N 341.455 2.881 0 50 EFAA CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(C)cc1 229754645 TVDVVSQNLYNFKC-ZYSHUDEJSA-N 345.487 2.503 0 50 EFAA Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nn1 331966359 IPPMCZXJNQMMPX-LLVKDONJSA-N 339.321 3.203 0 50 EFAA C[C@@H]1CN(CCNC(=O)Cc2cccs2)Cc2ccccc2O1 11839866 NNDMMOCRTUMFPU-CQSZACIVSA-N 330.453 2.690 0 50 EFAA CCN1C(=O)CC[C@@H]2CN(C(=O)/C=C/c3cccc(F)c3)CC[C@@H]21 11813197 OSMVXRRXPZKHCH-YFZXXLGGSA-N 330.403 2.698 0 50 EFAA Cn1c(Cl)cnc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 121190456 OEWHFQHIGOPEHQ-ZWNOBZJWSA-N 327.762 2.660 0 50 EFAA Cc1cc(CN(C)C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)on1 11935722 RNTPVMSGQQTQSS-UHFFFAOYSA-N 349.394 2.981 0 50 EFAA COc1ccc(CC(C)(C)NC(=O)c2cnn(C(C)C)c2N)cc1 252506003 VVPXSNIMELHTDY-UHFFFAOYSA-N 330.432 2.806 0 50 EFAA COC(=O)C1(C(=O)N2CC[C@@H](Cc3ccc(C(F)F)cc3)C2)CC1 328588122 VQHXGITYMACMHQ-ZDUSSCGKSA-N 337.366 2.968 0 50 EFAA C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(-n3ccnc3)c2)NC1=O 354595750 HUHIFPDRGIHNFO-LBPRGKRZSA-N 348.362 2.844 0 50 EFAA Cc1cc(N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)ncn1 328637001 VWFPHFAKTYHLFW-NSHDSACASA-N 325.338 2.699 0 50 EFAA Cc1oc2ccccc2c1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328654691 XQYXTNFQKSRJFU-CYBMUJFWSA-N 326.356 2.560 0 50 EFAA Cc1ccc(CN2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)o1 328629272 IBXNWSYCOHKWTP-INIZCTEOSA-N 340.489 2.757 0 50 EFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N(C[C@H]1CCOC1)C1CC1 123689367 AKJQEHHGIXAEMG-LLVKDONJSA-N 345.424 2.666 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccccc1-n1cccn1 257365810 PDBUBBONZCBYMN-RTBURBONSA-N 338.455 2.961 0 50 EFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@H](Cc2ccc(F)cc2)C1 378122744 XXIGMPBNLZUPPM-ZBFHGGJFSA-N 342.418 2.680 0 50 EFAA O=C(N[C@H]1COc2cccc(Cl)c21)c1ccc(-n2ccnc2)nc1 365673506 JBZWKBSPTQOQOZ-ZDUSSCGKSA-N 340.770 2.784 0 50 EFAA Cc1c(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cnn1C1CCCC1 155556622 HCVQKZAEXRZCFS-KRWDZBQOSA-N 346.475 2.861 0 50 EFAA N[C@@H]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCCO3)C2CCCC2)C1 155678080 CIRUEYLAQKZMKT-JKSUJKDBSA-N 344.455 2.856 0 50 EFAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccccc1C(F)(F)F 262912060 JPTCANFBMOAQOQ-GFCCVEGCSA-N 345.317 2.563 0 50 EFAA COc1ccc2cc([C@H]3CN(S(=O)(=O)C4CC4)CCO3)ccc2c1 71777029 NNMBTJHROAVIRW-GOSISDBHSA-N 347.436 2.714 0 50 EFAA Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)n2nc(C)c(C)c2n1 72476993 QSBAXXHAZBJRFW-UHFFFAOYSA-N 349.438 2.617 0 50 EFAA COc1ccc(CN(C)Cc2nc(C)no2)cc1CN1CCCC1 216096014 YSQWQURHDDVWAU-UHFFFAOYSA-N 330.432 2.614 0 50 EFAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)N3CCOCC3)cc2)n1 130009525 DNXJMLATIKLKCW-OAHLLOKOSA-N 328.416 2.592 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)c3cnn(C(C)C)c3)c2c1 77406673 OSPRZFIGLXBRRL-UHFFFAOYSA-N 326.400 2.926 0 50 EFAA COCC(=O)N1CCCN(Cc2cccc(-c3ccc(C)o3)c2)CC1 215007724 UUBYNTDFWGPYRZ-UHFFFAOYSA-N 342.439 2.936 0 50 EFAA Cn1cc(CC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cn1 241439883 NNCQSIFQHIKGFZ-CQSZACIVSA-N 329.297 2.696 0 50 EFAA CC(=O)c1cc(F)c(NC(=O)CN2CCCCCCC2=O)c(F)c1 241634634 PNXHMYJZFJRJAL-UHFFFAOYSA-N 338.354 2.899 0 50 EFAA CCc1nn2c(=O)cc(CN3CC[C@@H]4CCCC[C@H]4C3)nc2s1 242324430 ZBEZTTKOQAXSTE-STQMWFEESA-N 332.473 2.726 0 50 EFAA CCN1CCCC[C@@H]1CNC(=O)N1CCC(O)(c2ccccc2)CC1 184892217 ATXLASYOFMAYQQ-GOSISDBHSA-N 345.487 2.554 0 50 EFAA CCn1c(C)cc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)c1C 287008389 TYOWMZWJPGVBGZ-KRWDZBQOSA-N 344.459 2.756 0 50 EFAA CSc1cccc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 82137710 LOCKLCYTVGBRRY-UHFFFAOYSA-N 346.496 2.812 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 178290190 LITZUGIPYYAKAI-AGIUHOORSA-N 338.201 2.628 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 178258936 QVIJVJKVPCKYQX-NSHDSACASA-N 329.331 2.511 0 50 EFAA OCCN1CCN(C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 222726931 YAOINPOZZMLBID-NRFANRHFSA-N 336.479 2.603 0 50 EFAA Cc1cc(C)n(CC2(CN[C@H]3CCOC4(CCOCC4)C3)CC2)n1 82137026 VMBQTGKBRJPXQS-KRWDZBQOSA-N 333.476 2.598 0 50 EFAA CCOC1(C)CCN(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CC1 292091373 SLZUGPPBHDTBDQ-HNNXBMFYSA-N 336.407 2.730 0 50 EFAA O=C(Nc1ccc2c(c1)COC2)[C@H]1CCCN(C(=O)N2CCCC2)C1 179862282 SNVCONKTHCOLRB-AWEZNQCLSA-N 343.427 2.583 0 50 EFAA Cc1cc(NC(=O)Cn2cc(-c3ccc4ccccc4n3)cn2)n(C)n1 48156042 HIVHSBPFWDCHFN-UHFFFAOYSA-N 346.394 2.779 0 50 EFAA Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c2ccc(F)cc2n1 82137688 FQCALSIKQMKUAG-CYBMUJFWSA-N 329.375 2.552 0 50 EFAA Cc1ccnn1-c1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 294461689 UMPAWZOMTUDOJN-MRXNPFEDSA-N 336.399 2.666 0 50 EFAA Cc1cnc(CNC(=O)c2ccc([C@H](C)N3CCCCC3)o2)cn1 97766563 ZGINXGCYBUIPTH-AWEZNQCLSA-N 328.416 2.855 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCCc1nc(-c2ccccc2)no1 95373831 KKWMAADREHDFLY-MRXNPFEDSA-N 342.443 2.660 0 50 EFAA CC1(C)C[C@@]1(c1ccc(F)cc1)c1nc(CN2CCOCC2)no1 96180795 QIPNHTZFBJROEJ-GOSISDBHSA-N 331.391 2.757 0 50 EFAA COCC[C@@]1(CO)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91444635 ANSKJOSIUJJOFX-HNNXBMFYSA-N 332.366 2.711 0 50 EFAA Cc1nc(C)n(CCNC(=O)c2cc(Cl)c(C)c(Cl)c2)n1 95368877 RWZLXIGOUQSRPP-UHFFFAOYSA-N 327.215 2.940 0 50 EFAA COc1cccc([C@@H](C)NC(=O)N(CCCO)Cc2cccnc2)c1 426527758 KAMAMGNHKAVYFP-OAHLLOKOSA-N 343.427 2.745 0 50 EFAA CCOc1ncccc1CNC(=O)[C@@H]1CCOc2ccccc2C1 96151160 LPWDMWYTQRDFHB-OAHLLOKOSA-N 326.396 2.738 0 50 EFAA CCN(C)C1(CNC(=O)c2cc(C(F)(F)F)[nH]n2)CCCCC1 97272459 REVNKRYYFUKTLX-UHFFFAOYSA-N 332.370 2.813 0 50 EFAA Cc1nc2ccc(C(=O)NCCCNc3cccnc3)cc2nc1C 95376242 MNJQVAUOJDWUAE-UHFFFAOYSA-N 335.411 2.874 0 50 EFAA CNc1nc(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 243885554 AADDRVUNRVQZFS-KRWDZBQOSA-N 329.425 2.795 0 50 EFAA C[S@@](=O)c1ccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cc1 299744267 ROOAZVIAQOGLLZ-YZZKKUAISA-N 330.453 2.829 0 50 EFAA CCn1nccc1S(=O)(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 372222178 MSZXZJUKOUKVOD-OAHLLOKOSA-N 333.457 2.717 0 50 EFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2nccs2)cc1 299798845 SXKOTSTYZPSLOH-LLVKDONJSA-N 327.413 2.913 0 50 EFAA C[C@H]1Cc2cccc(S(=O)(=O)Nc3cccc4c3CN(C)C4)c2O1 1875279774 CUSBQJDMGOEWBM-LBPRGKRZSA-N 344.436 2.756 0 50 EFAA Cn1ccc2cccc(C(=O)N[C@H]3CN(c4ncccn4)CC3(C)C)c21 1875330474 YSPFPWUYLUFZOV-INIZCTEOSA-N 349.438 2.613 0 50 EFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(F)c1F 1875316286 GFMTYSWKDWQMQO-UHFFFAOYSA-N 328.322 2.518 0 50 EFAA C[C@H]1CCCn2c(CC(=O)N3C[C@H](CCN)c4ccccc43)cnc21 1875276563 BRBCYKSRUXRMIN-GJZGRUSLSA-N 338.455 2.802 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)c(Cl)c1 1875278084 XRXPNKAOSLPNKT-LBPRGKRZSA-N 333.775 2.712 0 50 EFAA COc1ccc(NC(=O)c2cc(CC(C)C)[nH]n2)cc1C(=O)N(C)C 952980995 RHIMXRVCNLSJFL-UHFFFAOYSA-N 344.415 2.571 0 50 EFAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cncn1C 952981942 UVKPZJZERHWYKI-ZDUSSCGKSA-N 326.400 2.687 0 50 EFAA O=C(O)Cc1ccc2c(c1)N(C(=O)Cc1n[nH]c3ccccc13)CCC2 1775999890 ZDZSCKNLKAGMJY-UHFFFAOYSA-N 349.390 2.712 0 50 EFAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CCOc2cccnc2C1 1776007662 SBXURJVXWDIIFY-UHFFFAOYSA-N 329.404 2.902 0 50 EFAA CCN(C)C[C@]12COC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2 1776007228 BICRSDONNPXGFN-HIFRSBDPSA-N 329.366 2.505 0 50 EFAA C[C@@H]1[C@@H](NC(=O)c2ncccc2Cl)CCCN1Cc1ccccn1 994271132 IRPFKQHSWCVXKU-CJNGLKHVSA-N 344.846 2.913 0 50 EFAA Cn1c([C@@H]2CCCN2Cc2cnc3cnccn23)nc2c1CCCC2 275423696 DUPLXRVHFZTPIX-KRWDZBQOSA-N 336.443 2.679 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)o1 275492756 WGTKJPCDSKWXPI-LBPRGKRZSA-N 347.440 2.957 0 50 EFAA COC(=O)c1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1F 276787125 SAEREBMVDIVMAH-IUCAKERBSA-N 344.770 2.907 0 50 EFAA c1nc(Sc2nnc(C3CCNCC3)n2C2CC2)c2cc[nH]c2n1 169988888 GUALMXSNWMFBOZ-UHFFFAOYSA-N 341.444 2.503 0 50 EFAA CCOC(=O)[C@@]1(C(C)C)CCN(c2ccccc2S(C)(=O)=O)C1 277849301 KEFXMHAFEBXPPN-KRWDZBQOSA-N 339.457 2.506 0 50 EFAA CCCC(O)(CCC)CC(=O)NC[C@H](c1ccccc1)c1nc[nH]n1 408520440 FFHVLABTBDREMO-MRXNPFEDSA-N 344.459 2.774 0 50 EFAA CCn1c(CCNC(=O)N2CCC[C@@]2(CC)CO)nc2ccccc21 190653779 OGPSWALOXUCIIQ-IBGZPJMESA-N 344.459 2.545 0 50 EFAA CCn1c([C@@H]2CCCN2C(=O)c2cnns2)nc2ccccc21 195409510 FOSQGBQIXNXQDI-ZDUSSCGKSA-N 327.413 2.885 0 50 EFAA O=C(Cc1ccc(F)cn1)Nc1cccc(N2CCCCC2=O)c1 798160545 VQOKBPZKMJFQFD-UHFFFAOYSA-N 327.359 2.919 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCCc3ccccc3)C[C@@H]2CC1=O 1529091651 OUSWUFXEPWLUMS-FGTMMUONSA-N 328.456 2.725 0 50 EFAA CO[C@H]1CN(c2ncc(Cl)cc2F)C[C@H]1Cc1cc(C)no1 1704313146 GZHHEDNZPMHWQQ-YGRLFVJLSA-N 325.771 2.864 0 50 EFAA CCN1CCC(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704299025 NBBWZTYHAGVXLP-DYESRHJHSA-N 339.483 2.866 0 50 EFAA CN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 16159725 GXVWCTMBINFRBN-UHFFFAOYSA-N 332.141 2.718 0 50 EFAA in-vitro CC(=O)c1cc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cs1 1615700366 JHQSIMRRELCNFA-IRXDYDNUSA-N 336.501 2.762 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)o1 12058223 CPTBSDCLNDHKEX-AWEZNQCLSA-N 334.416 2.543 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)c1ccc(N(C)C)cc1)OCO2 12364702 SULYSRJZQJXASN-UHFFFAOYSA-N 326.352 2.936 0 50 EFAA O=C(c1ccc(O)nn1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 15071255 UPXJTLIAAIEPFF-GFCCVEGCSA-N 347.365 2.945 0 50 EFAA CCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(F)cc1 16578258 BRVGYJOGGOKMIU-UHFFFAOYSA-N 337.372 2.944 0 50 EFAA CCCc1noc(-c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)n1 169748959 CKMKEIWWIKBWKL-ZDUSSCGKSA-N 329.335 2.691 0 50 EFAA CCOc1cc2c(cc1CN1CCc3[nH]nc(C(=O)O)c3C1)CCC2 1857678670 KADKNDALHJPRAE-UHFFFAOYSA-N 341.411 2.554 0 50 EFAA CCSCCCNC(=O)NCc1cc(F)cc2c1OCOC2 225692547 IVDUPPIHDPHADN-UHFFFAOYSA-N 328.409 2.635 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 120244360 CAVPDMUUVZBOKV-NSHDSACASA-N 329.400 2.861 0 50 EFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1c1cccs1 328685464 FQBKZQVEQJHLMZ-STQMWFEESA-N 327.471 2.627 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 238070163 WWHCHCKSQXZZPT-ZDUSSCGKSA-N 334.372 2.567 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 238019370 KBSOKJXGVXNCLQ-CQSZACIVSA-N 344.411 2.530 0 50 EFAA O=C(NCc1ccnc(NC2CC2)c1)c1ncccc1Br 253428525 DJYOIOFXJNKHLK-UHFFFAOYSA-N 347.216 2.743 0 50 EFAA CC[C@H](NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)[C@@H](O)C(F)(F)F 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CC(=O)N1CCN(Cc2cccc(-c3cccc4nccn34)c2)CC1 904219439 JSJKLQVVHBLAJP-UHFFFAOYSA-N 334.423 2.665 0 50 EFAA CCC[C@@]1(C(=O)O)CCCN1C(=O)c1cc2c(cc1F)NC(=O)CC2 910119817 AKMPNIVFOGCDGB-SFHVURJKSA-N 348.374 2.570 0 50 EFAA O=S1(=O)CCC[C@@H]1CN1CCC(c2ccnc3ccccc23)CC1 930610872 GONRAVUHIZLYBM-MRXNPFEDSA-N 344.480 2.991 0 50 EFAA CC(C)Cn1ncc(NC(=O)N(C)[C@@H]2CCCN(C)C2)c1C1CC1 931434387 SQSMDXXBKNFGGC-OAHLLOKOSA-N 333.480 2.974 0 50 EFAA CCn1cncc1S(=O)(=O)N[C@H](C)Cc1ccc2ccccc2c1 2325747083 KSSFHVNOYOSDPO-CQSZACIVSA-N 343.452 2.966 0 50 EFAA C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1N1CCOCC1 2325797409 PTBKRHITTWGIDD-HOTGVXAUSA-N 332.444 2.660 0 50 EFAA CN(Cc1nc2ccccc2s1)C(=O)c1cc([C@@H]2CCCN2)[nH]n1 2325797641 JYRIOWVHIJUNEK-NSHDSACASA-N 341.440 2.716 0 50 EFAA CCCc1cc(=O)n2[nH]c(NC(=O)C3CCCCCCC3)nc2n1 857684855 QPFQEZLKILBNHT-UHFFFAOYSA-N 331.420 2.669 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 123778 UQOGSRQLZRQIPG-LLVKDONJSA-N 336.347 2.512 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 249016 MNYYTEONTQOGJE-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccn2)CC1 471461 CFHGPCQHBSIDDT-CQSZACIVSA-N 345.830 2.851 0 50 EFAA COc1cc(C(=O)Nc2ccccc2NC(C)=O)cc(OC)c1OC 859024 POKJKRFMVVXQRJ-UHFFFAOYSA-N 344.367 2.923 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)c(Br)c1)C1CC1 1163507 OORMLVNQZTVOJM-UHFFFAOYSA-N 325.206 2.634 0 50 EFAA COc1cc(-c2n[nH]c(=O)n2C2CCCCC2)cc(OC)c1OC 4858570 SOCMAQNABPGPDF-UHFFFAOYSA-N 333.388 2.769 0 50 EFAA CCCOc1ccc(Oc2nc(NCC)nc(NC(C)(C)C)n2)nn1 4951785 GUVAIZOIZHDFRG-UHFFFAOYSA-N 347.423 2.885 0 50 EFAA CCn1cccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1=O 417219386 JDBXSTKESZXCKG-HNNXBMFYSA-N 345.399 2.674 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 247334811 VRRVVBBUACGYPV-CQDKDKBSSA-N 337.261 2.621 0 50 EFAA CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2ccc(C3CCC3)cc2)C1 345001917 FRNBCQSLCLUYTO-SJORKVTESA-N 340.427 2.685 0 50 EFAA COC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 248148023 FUTXMVRGAJADJD-TVYUQYBPSA-N 340.217 2.620 0 50 EFAA Cc1cc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)[nH]n1 20599806 RPYNIWAPTTZIRD-UHFFFAOYSA-N 328.464 2.879 0 50 EFAA CN[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67934118 HFGNBTWFDGCDFW-AWEZNQCLSA-N 340.423 2.697 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2)n(C)n1 65461130 SGDBFDFBBWJUSA-KRWDZBQOSA-N 343.475 2.900 0 50 EFAA CC[C@H](Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C 67756361 XIWHAPILGFATKN-VIFPVBQESA-N 331.401 2.995 0 50 EFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCc2cn3ccccc3n2)C1 65370668 MWVVVIKJJLFDID-OAQYLSRUSA-N 349.434 2.695 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N(CCO)Cc1ccc(Cl)cc1 252499297 RYHYPGRNQHZYMX-UHFFFAOYSA-N 347.798 2.746 0 50 EFAA COCCC[C@@H]1CCCCN1C(=O)c1cccc(N2CCNC2=O)c1 77470548 AXZXYFMEJJZXRV-INIZCTEOSA-N 345.443 2.638 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 282490030 VYFCYDBIPBHFFX-LRDDRELGSA-N 335.354 2.690 0 50 EFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1ccc(=O)n(C)c1 72436638 IBMDQMMYLRMADL-UHFFFAOYSA-N 345.487 2.646 0 50 EFAA CCOC(=O)N1CCC(N2CCO[C@H](Cc3ccccc3)C2)CC1 23339053 YKWUFGODQHCXJZ-GOSISDBHSA-N 332.444 2.551 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 229939965 SULFVKKWMLKYOH-KFWWJZLASA-N 331.464 2.943 0 50 EFAA CC1(C)COc2c(C(=O)N3CCNC(=O)c4ccccc43)cccc21 253429689 DDVNBONTAQWECF-UHFFFAOYSA-N 336.391 2.747 0 50 EFAA Cc1ccc2nc(CCCNC(=O)c3c(Cl)cnn3C)[nH]c2c1C 71761192 FLNFDCYELHRHRM-UHFFFAOYSA-N 345.834 2.929 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@](O)(c3ccccc3C)C2)c1C 67881399 QPKAORDRCDAVLW-FQEVSTJZSA-N 340.423 2.876 0 50 EFAA CC(=O)N1CCN([C@@H]2CN([C@@H]3CCCc4ccccc43)C[C@H]2C)CC1 257366119 KAHUIWPUGPLRLY-MAODMQOUSA-N 341.499 2.548 0 50 EFAA CCOC(=O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cc1 1430082 JLGJRQBLAOQCEM-UHFFFAOYSA-N 339.273 2.924 0 50 EFAA CCN1C[C@@H](C)N(C(=O)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 328593423 BADAAQPRCMBSHJ-ZIAGYGMSSA-N 344.484 2.689 0 50 EFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)[C@H]1CCCO1 2780602 XTFXHSYMHQBWEU-IONNQARKSA-N 339.745 2.547 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1nnc(N)s1 219793241 YEOQAZKTMMGNNP-SECBINFHSA-N 343.412 2.504 0 50 EFAA Cc1cc(=O)c(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c[nH]1 72440239 HGQJDVAFPJVTAR-CQSZACIVSA-N 344.386 2.754 0 50 EFAA C[C@H](Cn1cccn1)Nc1nc(C2CCCC2)nc2c1CCNCC2 72409384 UGZGSNIERRACOB-CQSZACIVSA-N 340.475 2.520 0 50 EFAA Cc1ccn2ncc(C(=O)N[C@H](c3ncc(C)s3)C3CC3)c2n1 173603596 UPFFZORWSLREBP-ZDUSSCGKSA-N 327.413 2.684 0 50 EFAA c1ccc2[nH]c(C3CCN(Cc4cnc5cnccn45)CC3)nc2c1 123896562 IPSRJGWHZNQXSQ-UHFFFAOYSA-N 332.411 2.985 0 50 EFAA COC(=O)c1cc2c(=O)n(Cc3ccccc3OC)ccc2nc1C 38784171 IJNHOEOZVLVSPF-UHFFFAOYSA-N 338.363 2.548 0 50 EFAA Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccco2)c2c(C)noc2n1 158036390 MDXWXGSFFGYMAW-SNVBAGLBSA-N 327.340 2.824 0 50 EFAA c1cc2c(cc1[C@@H]1CN(CC3CC3)[C@@H]3C4CCN(CC4)[C@H]13)OCO2 72128311 LMWHUBNZAXKEHD-PWIZWCRZSA-N 326.440 2.687 0 50 EFAA C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)c2ccccc2NC1=O 174178145 JMIDVOCJEBJWAT-CYBMUJFWSA-N 348.406 2.528 0 50 EFAA O=C(N1CCOCC1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72159468 AAAUIGANPSBTHF-CMKODMSKSA-N 344.455 2.591 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H]1OCCc2ccccc21 262783083 PJRPYYATTHMGIM-GOSISDBHSA-N 341.363 2.711 0 50 EFAA CN1CC[C@@H](CNC(=O)c2ccc(Br)c(Cl)c2)C1 127913340 RKSXSAKAUGIYHY-VIFPVBQESA-N 331.641 2.784 0 50 EFAA COc1ncccc1-n1ccnc1-c1ccccc1O[C@@H](C)C(=O)O 72131872 JPXSTPMUAIPWFK-LBPRGKRZSA-N 339.351 2.795 0 50 EFAA CCN1CC[C@@H](N(C)C(=O)Nc2c[nH]nc2-c2nccs2)[C@H](C)C1 333617963 HXUXCYDKVBKMAX-DGCLKSJQSA-N 348.476 2.727 0 50 EFAA Cc1cc(N2CCC[C@@H](N=c3nc(C4CCCC4)[nH]s3)C2)n(C)n1 333765971 DKSDXPLVXNAUQA-CQSZACIVSA-N 346.504 2.740 0 50 EFAA O=C(C[C@H]1CNCCO1)NCCc1ccccc1Oc1ccccc1 216141413 BWFGUNMGAILXIY-SFHVURJKSA-N 340.423 2.516 0 50 EFAA NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 237834235 ZXRYKRBMMSRDMN-CHWSQXEVSA-N 328.334 2.638 0 50 EFAA C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 285725331 XFKLIBHYIBITQP-XHDPSFHLSA-N 348.340 2.932 0 50 EFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286157230 HCHPKOXABBMCHY-ATZDWAIDSA-N 340.423 2.684 0 50 EFAA CNC(=O)Cn1ccc2ccc(NC(=O)N3CC[C@H]3C(C)C)cc21 454853364 AITAJORXLAUYPB-HNNXBMFYSA-N 328.416 2.650 0 50 EFAA Cn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc21 225418597 PDNYYSPZMWXBQN-PBHICJAKSA-N 347.418 2.600 0 50 EFAA biogenic Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 241884854 SYIMBSDNTZLQFX-ZFOGPFJYSA-N 348.491 2.761 0 50 EFAA CCCc1cc(C(=O)NCCc2nc3ccccc3n2CC)no1 82136983 YUGBQKVUEPFUKY-UHFFFAOYSA-N 326.400 2.969 0 50 EFAA Cc1ccc2c(CNc3ccc4c(c3)C(=O)N(C)C4=O)cc(=O)oc2c1 176763451 XEZIZCBQQKDVTD-UHFFFAOYSA-N 348.358 2.939 0 50 EFAA CC[C@@H](C)CCNC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 426504449 GQUXMSUQLGZQCJ-CQSZACIVSA-N 335.423 2.616 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCc1cccc(N2CCCC2)c1 82138575 LJENVLHRFSKADO-UHFFFAOYSA-N 340.471 2.886 0 50 EFAA CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2OC)C[C@H]1NC(C)=O 82099304 LOIVXYCSOPZLLS-IUODEOHRSA-N 338.835 2.725 0 50 EFAA CC(C)C[C@@H](O)C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 97468337 LWXQPXRGAABJLB-MRXNPFEDSA-N 331.391 2.508 0 50 EFAA Cn1ccc2c(C(=O)N3C[C@@H](C(=O)O)[C@H](c4cccnc4)C3)cccc21 91325409 WMIUJUFDBKNKFQ-DLBZAZTESA-N 349.390 2.514 0 50 EFAA CC(C)c1noc(CCNC(=O)C2CCN(C3CCCCC3)CC2)n1 95392205 JZBCQPKZLJQRAB-UHFFFAOYSA-N 348.491 2.896 0 50 EFAA Cc1nn(CC(=O)N2CCCC[C@H]2CCn2ccnc2C)cc1Cl 95364436 HXJOSRIPWAJLDL-HNNXBMFYSA-N 349.866 2.821 0 50 EFAA Cc1ccc([C@@H](C)CCN2CCN(c3ccc4nccn4n3)CC2)o1 97758058 LDVJQCRNHSWKBD-HNNXBMFYSA-N 339.443 2.947 0 50 EFAA O=C1[C@H]2CC[C@H](CN(c3ccc(Cl)cn3)C2)N1Cc1cscn1 92061959 QYBJPWCVPNQAPC-SMDDNHRTSA-N 348.859 2.819 0 50 EFAA COCCCN1CC[C@H](CNC(=O)Nc2ccc(F)cc2Cl)C1 96180868 UIWKIPANPAHCIF-GFCCVEGCSA-N 343.830 2.959 0 50 EFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(CO)cc2)C1 91713627 VBKCHDYGGNBQBY-LJQANCHMSA-N 331.412 2.842 0 50 EFAA O[C@H](c1ccccn1)C1CCN(c2nccc(-c3ccccn3)n2)CC1 96163442 CNEXKDZIZUHINO-IBGZPJMESA-N 347.422 2.884 0 50 EFAA COCC(=O)Nc1cccc(NC(=O)NCCC[C@@H]2CCOC2)c1C 96150680 MJEZSRLZRRMZGM-CQSZACIVSA-N 349.431 2.518 0 50 EFAA Cc1n[nH]c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)n1 95362171 DRMPEWSIWXKWJJ-CYBMUJFWSA-N 327.432 2.590 0 50 EFAA COc1ccc(Sc2nsc(NC(=O)[C@@H]3CCOC3)n2)cc1 267733872 HSZZABHXKQQDHC-SECBINFHSA-N 337.426 2.673 0 50 EFAA O=C(CCCC(=O)c1ccccc1)N[C@H]1C[C@H](c2cc(O)ncn2)C1 240499966 NPSONVLDDJUVDB-SHTZXODSSA-N 339.395 2.598 0 50 EFAA Cc1[nH]ncc1CNC(=O)COc1cccc2c1ccn2C(C)C 253400335 DWHJDINDMJEQML-UHFFFAOYSA-N 326.400 2.949 0 50 EFAA Cc1cn2cc(C(=O)N[C@H](c3cccs3)[C@H]3C[C@@H](O)C3)ccc2n1 252527843 DMGHOHGPFXNWMB-VBQJREDUSA-N 341.436 2.946 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1c[nH]c2ccccc12 254410758 KHLAISZHHLNBQU-WKLICJCCSA-N 331.375 2.555 0 50 EFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@H](C)N1CCOCC1 252479778 BMTJQSMFUPKLJW-ZDUSSCGKSA-N 349.862 2.509 0 50 EFAA C[C@H]1CN(C(=O)c2cc(C3(C)CC3)on2)c2ccccc2N(C)C1=O 2325767637 JIKBAEPZGFQUBM-LBPRGKRZSA-N 339.395 2.985 0 50 EFAA CCc1c(C)nn(CC(=O)N2CCN(C)[C@H](c3ccccc3)C2)c1C 299779714 VDQORFUGKWUTGF-IBGZPJMESA-N 340.471 2.578 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H](C)CN1CCc2ccccc2C1 299760572 IATNOXMFJZVLRM-ZDUSSCGKSA-N 338.455 2.772 0 50 EFAA CCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)n1 299760508 UZGHGSSJTFDLHF-HNNXBMFYSA-N 341.415 2.611 0 50 EFAA CN1CCc2[nH]nc(C(=O)NCc3ccc4sccc4c3)c2C1 823806702 HQZKUVKRPSJWTN-UHFFFAOYSA-N 326.425 2.542 0 50 EFAA CC(C)n1ncnc1-c1cccc(C(=O)NCCc2cccnc2)c1 584897927 YIJDYGOJCBDABN-UHFFFAOYSA-N 335.411 2.894 0 50 EFAA CCn1nc(Cc2cccc(Cl)c2)nc1[C@@H](C)N1CCOCC1 670473267 NFTWZZUTTNBJKG-CYBMUJFWSA-N 334.851 2.935 0 50 EFAA CN(C)C/C=C/C(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 269076015 YLNDWLCSMYLFPY-OCMBFUTKSA-N 341.499 2.617 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2n[nH]cc2C(C)C)cc1 1875373979 WYFJKCYRKSPPTD-UHFFFAOYSA-N 326.400 2.612 0 50 EFAA C[C@@H]1C[C@@H](CN2CCC(n3c(O)nc4cccnc43)CC2)CCO1 952884057 SPMJNIKTGVNCAS-KGLIPLIRSA-N 330.432 2.589 0 50 EFAA CCC[C@@H](OC)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952892621 PGGCXCFJGWRLRZ-CQSZACIVSA-N 347.390 2.791 0 50 EFAA CC(C)n1ncc(C(=O)N[C@H](C)c2ncccn2)c1C(F)(F)F 1875286091 LTUOQJNEYHQWJR-SECBINFHSA-N 327.310 2.764 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C(F)(F)F 886034097 OKRISHITAYTVNU-KBPBESRZSA-N 332.366 2.935 0 50 EFAA COCc1ccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1 886065604 MKYSMNBJOWWQDK-CVEARBPZSA-N 344.377 2.864 0 50 EFAA O=C(NCc1cccc2c1OCCO2)N[C@@H]1CCc2c(O)cccc21 893249739 SAEIYEKLVYWQNR-OAHLLOKOSA-N 340.379 2.650 0 50 EFAA O=C(N[C@@H](c1ccncc1)C1CC1)[C@H]1C[C@]1(C(=O)O)c1ccccc1 899855233 VCBNTSXEIBRUBD-HLIPFELVSA-N 336.391 2.691 0 50 EFAA COC(=O)C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)C(C)C 1776006585 WYZZHSRJGODPHI-DVQDXYAYSA-N 326.396 2.952 0 50 EFAA COc1ccc2c(c1)c(C(=O)NC[C@H](O)C1CC1)c(C)n2C1CC1 1776002127 HIYQXTTYHAYVCQ-KRWDZBQOSA-N 328.412 2.794 0 50 EFAA CC(C)c1ccc(-n2cc(O)c(C(=O)NCC[C@H](O)C3CC3)n2)cc1 1420520683 AVZXIQBKRKJYEA-INIZCTEOSA-N 343.427 2.592 0 50 EFAA CC(C)CN(Cc1nn[nH]n1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 1364652652 VIOBBQMBVAKEKY-CQSZACIVSA-N 343.431 2.529 0 50 EFAA C[S@@](=O)(=NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(F)cc1 1361642279 WUPVJLUMTQYHFL-QHCPKHFHSA-N 349.309 2.725 0 50 EFAA C[C@H]1C[C@H](C(=O)NCC2CCN(Cc3ccccc3)CC2)CCO1 271808295 AITHWGHZKNUQLQ-QFBILLFUSA-N 330.472 2.830 0 50 EFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 275829444 WRAWHMMUMMFRPT-CYBMUJFWSA-N 346.456 2.566 0 50 EFAA CC(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(CN2CCCC2)c1 277399779 JUNFRAJVWPUQBW-RTBURBONSA-N 330.472 2.960 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)c3oc(Br)cc3C)C2)n1 408054800 UOQRSNSVHYKECY-VIFPVBQESA-N 340.177 2.672 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2cn(C)nc2C)c2cnn(C(C)C)c2n1 171081403 KKHUUIMYPFNFLX-GFCCVEGCSA-N 340.431 2.854 0 50 EFAA Cc1nc2n(c1C)CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F)C2 637518815 RVZAYGTZOJVOCK-GOEBONIOSA-N 346.381 2.859 0 50 EFAA COc1cccc2c1CCN(Cc1nc3ccccc3c(=O)n1C)CC2 193707880 UMHVTYPQOWYLIJ-UHFFFAOYSA-N 349.434 2.543 0 50 EFAA CN(Cc1cscn1)C(=O)c1ccccc1OC[C@H]1CCCO1 194297018 HNANFVTUZJEWJE-CQSZACIVSA-N 332.425 2.973 0 50 EFAA Cc1cnc(C)c(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)n1 195563745 KWZRRCASWPMBMF-HNNXBMFYSA-N 338.455 2.936 0 50 EFAA c1cc(C2(c3noc(-c4cc5c(cn4)OCCO5)n3)CCC2)ccn1 656035242 DCCMZBSCBMYQFY-UHFFFAOYSA-N 336.351 2.768 0 50 EFAA C[C@H](NC(=O)C1(C(=O)O)CC=CC1)c1ccc(NC(=O)C2CC2)cc1 663028849 DJSMUOHBOSNEFJ-LBPRGKRZSA-N 342.395 2.633 0 50 EFAA C[C@H]1CCOCCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 775595285 GNSWNWYLWIRFDK-LBPRGKRZSA-N 326.400 2.600 0 50 EFAA O=C(CCN1CCCCCC1=O)Nc1cnn(Cc2ccccc2)c1 1506399707 PYDRZDXBUKFYMS-UHFFFAOYSA-N 340.427 2.663 0 50 EFAA Cc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529144135 NLKGWDYBBNTICR-WOJBJXKFSA-N 336.435 2.893 0 50 EFAA COc1ccc(OC)c(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)O)c1 453014 HPRFRLNSEISIFX-LFIBNONCSA-N 341.363 2.868 0 50 EFAA c1ccn2c(N3CCC4(CC3)OCCc3sccc34)nnc2c1 1704335907 ICOPJRNPDLNUNR-UHFFFAOYSA-N 326.425 2.859 0 50 EFAA O=C(O)[C@H]1CN(C(=O)CSc2ccncc2)C[C@@H]1c1ccccc1 212860310 HYGGSMZNUBCXAU-CVEARBPZSA-N 342.420 2.501 0 50 EFAA Cc1cccc(C)c1OCc1cc(C(=O)NCc2nccn2C)no1 12317134 OWMBCOKNMPAOOS-UHFFFAOYSA-N 340.383 2.534 0 50 EFAA Cc1cc(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)no1 12576467 BAEUMCFXMFGRMV-INIZCTEOSA-N 349.390 2.667 0 50 EFAA O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(F)cc1 13646954 ARDXXMKEDSNAEN-UHFFFAOYSA-N 334.416 2.557 0 50 EFAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)[C@H]2CCOC2)C3)nc1 15071792 OAIQINUNNHPJCO-HOTGVXAUSA-N 338.407 2.513 0 50 EFAA CN(C)CC[C@@H]1CN(C(=O)c2ccc3cccc(Cl)c3n2)CCO1 19148213 VEQIEVPHBPJICU-CQSZACIVSA-N 347.846 2.681 0 50 EFAA COc1ccccc1CN1CCN(C(=O)c2ccccc2F)CC1 19570451 JJQWAAKNBPWGQH-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA OCC[C@@H]1CN(Cc2c[nH]c3ccccc23)CCN1C1CCCC1 19720353 AOIPMBKFTKSURJ-GOSISDBHSA-N 327.472 2.979 0 50 EFAA O=C(NCCCN1CCOCC1)C(c1ccccc1)c1ccccc1 19866409 ZUTYZCNYTDXKPB-UHFFFAOYSA-N 338.451 2.657 0 50 EFAA CCn1nccc1-c1nc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)no1 169755786 TYMRVRNSRPGLFU-ZDUSSCGKSA-N 337.383 2.782 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 222365372 UQTSJIHZBLQQSI-DOXZYTNZSA-N 337.423 2.682 0 50 EFAA CN(C)C(=O)c1ccc(N2CCC3(CCc4ccccc43)CC2)nn1 1857668102 JFQWUDMFNZNKLK-UHFFFAOYSA-N 336.439 2.663 0 50 EFAA Cc1nc(-c2ccc3sc(=N)[nH]c3c2)n([C@@H]2CCCC[C@H]2O)n1 1857680327 KRTJGPRVQTUUTJ-CHWSQXEVSA-N 329.429 2.752 0 50 EFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCOC2(CCNCC2)C1 1857709367 TZQBVYJEHZUMKJ-AWEZNQCLSA-N 348.878 2.949 0 50 EFAA CN1C[C@@H](Cn2ccnc2-c2cccc(OC(F)(F)F)c2)CC1=O 1857709415 WEMAXXPEUHWLQD-NSHDSACASA-N 339.317 2.927 0 50 EFAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 230225178 JHCPKGGXPHUXQJ-VOAKCMCISA-N 332.366 2.577 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)COc3ccc(Cl)c(C)c3)C2)n1 331586317 OBEPLPRIMGLXSH-GFCCVEGCSA-N 335.791 2.735 0 50 EFAA COc1ccccc1-c1nnc(Cn2cc(Br)cn2)o1 151075076 NKOYEYMNQBSSSX-UHFFFAOYSA-N 335.161 2.753 0 50 EFAA CC(C)(C)Cc1ncc(C(=O)NC[C@H](CO)Cc2ccoc2)s1 829258070 AIGXDOBBMNLOSL-CYBMUJFWSA-N 336.457 2.906 0 50 EFAA CCn1cc(Cl)c(NC(=O)NC[C@@](C)(O)c2cccc(F)c2)n1 932499287 BOEJKGXHMRHMJY-OAHLLOKOSA-N 340.786 2.725 0 50 EFAA O=C(O)COc1cccc(NC(=O)c2ccc(Br)o2)c1 4520001 VLWXQNBOEHOAPZ-UHFFFAOYSA-N 340.129 2.758 0 50 EFAA c1ccc(CN2CC[C@H](NCc3ccc(-n4cncn4)cc3)C2)cc1 65397845 XVMTYNBZIQRRCH-IBGZPJMESA-N 333.439 2.631 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccncc1 2437402 PYKBKSMVDWIOQH-QGZVFWFLSA-N 347.378 2.662 0 50 EFAA Fc1cc(CCNCc2cnn3ccccc23)c2c(c1)COCO2 2325721557 FLCBFDOLMUXSJM-UHFFFAOYSA-N 327.359 2.672 0 50 EFAA CN(C)c1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)O)cc2)cn1 2325778384 WUZNENIGONXIEG-UHFFFAOYSA-N 341.411 2.553 0 50 EFAA CN(C[C@@H]1CCNC1)C(=O)Cc1cc(-c2ccccc2Cl)on1 2325789427 PJJDSMGHGOHTSK-GFCCVEGCSA-N 333.819 2.605 0 50 EFAA CN1CCOc2c(C(=O)Nc3cccc(F)c3C(=O)O)cccc21 2325872064 GQQZNRLDIDFOIW-UHFFFAOYSA-N 330.315 2.605 0 50 EFAA CCc1nnc(CN2CCOC[C@H]2CC(=O)c2cccs2)s1 119608460 GETOVDSULVBQMY-LLVKDONJSA-N 337.470 2.636 0 50 EFAA CC(C)C[C@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 177398 FCHBLJGYIUWOEU-MRXNPFEDSA-N 328.412 2.710 0 50 EFAA COc1ccc(CC(=O)Nn2c(-c3ccccc3)csc2=O)cc1 392175 SVUXKMLYAUBQSZ-UHFFFAOYSA-N 340.404 2.898 0 50 EFAA O=C(CS(=O)(=O)Cc1ccccc1)N1CCCc2ccccc21 620384 OPLHFJDOCURBEV-UHFFFAOYSA-N 329.421 2.581 0 50 EFAA Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1053662 JOBIPKPQTXZKDQ-UHFFFAOYSA-N 334.397 2.625 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(OC(F)(F)F)CC1 2356138444 MDBQVQLFKILDDF-LBPRGKRZSA-N 342.361 2.965 0 50 EFAA COc1ccc(N(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4159566 UTGPSWJTHYRHEF-MRXNPFEDSA-N 345.420 2.529 0 50 EFAA CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 4813794 TYGVUWILIBPAQQ-UHFFFAOYSA-N 326.418 2.820 0 50 EFAA CS(=O)(=O)Nc1nnc(SCCCc2ccccc2)s1 6706771 YHJJCYAPQRSJLL-UHFFFAOYSA-N 329.472 2.635 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1 6741958 YOFPRBAKQVRZJO-INCPQMAJSA-N 330.384 2.721 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)C1 247137032 XCBDRIQKXCGVIJ-YQQAZPJKSA-N 331.460 2.534 0 50 EFAA Nc1ccnc(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)n1 135140989 LILFGYFRCAJRFH-DLBZAZTESA-N 326.444 2.927 0 50 EFAA CCC(=O)c1ccccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 20653329 FEWGUZMNCJGGLQ-HOTGVXAUSA-N 335.444 2.784 0 50 EFAA Cc1cc(OCCOCCN2CCN(C)CC2)cc(C)c1Cl 22937504 AOBXWZSSIQWARP-UHFFFAOYSA-N 326.868 2.600 0 50 EFAA CC1=NN(C(=O)CSCc2ccccc2C)[C@](O)(C(F)F)C1 6789586 WKJXWWUUGRZADZ-OAHLLOKOSA-N 328.384 2.790 0 50 EFAA C[C@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(OCC2CC2)c(F)c1 120043533 HEOYBHJPXGSNNL-ZANVPECISA-N 338.404 2.617 0 50 EFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1CCC(=O)O 314955514 QWVOWLPHVUHXPR-GFCCVEGCSA-N 331.821 2.666 0 50 EFAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NCc1ccnc(N2CCOCC2)c1 230190592 HCLSOVLMEAFPOR-VYDXJSESSA-N 346.475 2.542 0 50 EFAA C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)N1CCCCC1 230214940 UPMNGACTLUWKPQ-QCUYGVNKSA-N 335.492 2.901 0 50 EFAA Cc1noc([C@@H](C)N2CCN(C(=O)NCC3(CC(C)C)CC3)CC2)n1 127579867 PYNYZXTVXOEUMM-CQSZACIVSA-N 349.479 2.593 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)[C@H](C)c3ccc(Cl)s3)CCO2)o1 328612967 QLCDGPCFOVRGMH-SCZZXKLOSA-N 341.820 2.797 0 50 EFAA Cc1noc(C)c1CSCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 127711940 FKRPDIIYXJAUSY-RHSMWYFYSA-N 338.473 2.678 0 50 EFAA CN(C[C@@H](O)c1ccccc1F)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328642529 RCDLOGIUMJXOPF-DBVUQKKJSA-N 343.446 2.879 0 50 EFAA Cc1ccc(O)c(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623681 CBTSWSKEWCUYFX-NSHDSACASA-N 340.349 2.663 0 50 EFAA Cc1cccc2nc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)c(F)n12 67966334 RNDJKCWTCANTCV-GFCCVEGCSA-N 327.363 2.525 0 50 EFAA COc1cc(Cn2ccnc2-c2[nH]cnc2C)cc(OC)c1OC 67907860 DQZQFGBWZUDEQU-UHFFFAOYSA-N 328.372 2.656 0 50 EFAA O=C(c1cccc(F)c1F)N(Cc1cncnc1)[C@H]1CCCNCC1 435415544 KTQHKLYBWLBBEM-AWEZNQCLSA-N 346.381 2.539 0 50 EFAA O=S(=O)(C1CC1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 152500853 GUXGBANEASOMEM-LLVKDONJSA-N 326.487 2.694 0 50 EFAA Cc1nc2c(c(N[C@@H]3CCO[C@H](c4ccnn4C)C3)n1)CCCC2 333753576 YDZADYNIBUEWLN-DYVFJYSZSA-N 327.432 2.730 0 50 EFAA CC(=O)NCC[C@@H]1CCCCN1Cc1nc2ccccc2nc1C 77438586 RRLVDOVYJWMEIU-INIZCTEOSA-N 326.444 2.819 0 50 EFAA Cc1ccc(-c2noc(CCCN3CC[C@@H](O)C3(C)C)n2)cc1F 361426047 KXACNYODXDCKRS-OAHLLOKOSA-N 333.407 2.962 0 50 EFAA O=C(NCc1ccccc1-n1ccnc1)N1CCOc2ccccc2C1 363375436 WLBYJANTKOBMNB-UHFFFAOYSA-N 348.406 2.977 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CC[S@@](=O)C(C)(C)CC1 333837846 MSIWIWLKXXPSFO-SFDCACGMSA-N 338.477 2.619 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 363906198 ODAMBWAWRUQLSV-SFHVURJKSA-N 330.359 2.733 0 50 EFAA Cc1ccccc1CSCC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 219124574 XQOXFJHGBVTPOP-MSOLQXFVSA-N 349.496 2.929 0 50 EFAA CSCCC(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2ccc(C)cc2)C1 77338161 MJCACXTYBDLPEL-DLBZAZTESA-N 346.496 2.569 0 50 EFAA CC(C)N1CC[C@H](N(C)S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 452100574 DWHBEKYRCGXTRF-KGLIPLIRSA-N 338.464 2.556 0 50 EFAA O=C(C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccnc1 215638169 ZUMIJLCVMSPEGI-CQSZACIVSA-N 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Cc1cc(N2CCC(N(C)C[C@H]3CCOC3)CC2)nc(C(C)C)n1 95531472 NQWJYTXTPRVPPM-MRXNPFEDSA-N 332.492 2.846 0 50 EFAA CCCn1ncc(C(=O)N[C@H](C)COc2ccccc2OC)c1C 91876736 ZFRFHBACEOVCPA-CYBMUJFWSA-N 331.416 2.807 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)NC(C)C)C3)cc1 91270555 GAKUBRLYQMWKNH-DLBZAZTESA-N 331.460 2.709 0 50 EFAA CNc1nc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cs1 244858638 VPDSRAKSTIJLPP-UHFFFAOYSA-N 330.457 2.710 0 50 EFAA CCCn1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cn1 183305488 KXEQSBXDECBQND-OAHLLOKOSA-N 341.459 2.644 0 50 EFAA CC1CCN(C(C)(C)CNC(=O)N2CC(c3ccccn3)C2)CC1 534586009 YOKWUCNJXWBZRW-UHFFFAOYSA-N 330.476 2.701 0 50 EFAA COc1ccccc1OCCN1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 299757558 GWSQWANRLOAFRK-AYOQOUSVSA-N 335.444 2.732 0 50 EFAA Cc1c(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)cccc1N1CCCC1 299789682 ABCQUEOOHJMTMH-HWWDLCQESA-N 329.444 2.830 0 50 EFAA C[C@H](O[C@H](C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C(=O)O 872914304 FGSIXIFTXZZZHV-OLZOCXBDSA-N 344.411 2.752 0 50 EFAA CC(C)[C@@H](C(=O)O)C(=O)NCc1cc(-c2cccc(Cl)c2)on1 1875300536 HCHIYYKGODQCRU-CQSZACIVSA-N 336.775 2.968 0 50 EFAA CC(=O)N1CC([C@@H]2CCCCN(C(=O)c3cncc(Cl)c3C)C2)C1 1875406957 PMJPZQUVVYBTBE-CQSZACIVSA-N 349.862 2.764 0 50 EFAA Cc1ccc2oc(CN[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)cc2c1 1875400186 SVUMUPBRPNHLDC-ZTFGCOKTSA-N 325.412 2.867 0 50 EFAA O=S(=O)(Cc1noc(C2CC2)n1)N1CCC[C@@H](c2ccccc2)C1 952878099 YXFRZBTXCOXWBZ-OAHLLOKOSA-N 347.440 2.656 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4CCCC[C@]4(CN)C3)n[nH]2)o1 1875287567 PEQMDBCGLCRCMK-UGSOOPFHSA-N 328.416 2.569 0 50 EFAA O=C(Nc1ccc2ncccc2c1)C1CC2(C1)[C@@H](C(=O)O)C2(F)F 1875296580 DRSBVEOOCXWZJZ-XNVJVGRKSA-N 332.306 2.919 0 50 EFAA CCc1noc(C23CC(CNC(=O)OC(C)(C)C)(C2)OC32CCC2)n1 1875281083 OIOAAWPRGHNKHW-UHFFFAOYSA-N 349.431 2.880 0 50 EFAA C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccccc1C(F)(F)F 1875270306 ADFCQHKEXKDNEK-MDZLAQPJSA-N 342.361 2.749 0 50 EFAA O=C(NC1CC(Cl)(Cl)C1)[C@H]1CCCN(Cc2cccnc2)C1 1304044684 JSTKCENDYIOWIM-ZDUSSCGKSA-N 342.270 2.746 0 50 EFAA Cn1nc(CNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)cc1C1CC1 885902507 PTVZTCDGISETJJ-QZTJIDSGSA-N 339.439 2.734 0 50 EFAA CC(C)Cn1cc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C(F)F)n1 888100297 MMJMLLPFXHUHTJ-ZKYQVNSYSA-N 342.390 2.854 0 50 EFAA CCCCC(=O)NCc1ncoc1C1CN(C(=O)OC(C)(C)C)C1 1775992813 VRXBEPVZPQVICK-UHFFFAOYSA-N 337.420 2.815 0 50 EFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)CCNCC2 276770542 VTCQSGFLNQULKJ-QRWLVFNGSA-N 338.451 2.617 0 50 EFAA CC(C)C[C@@H](C)S(=O)(=O)NC(=O)c1ccccc1-c1cncnc1 170638308 WSLLMQGFNLZNLN-CYBMUJFWSA-N 347.440 2.638 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)co1 188903585 WRJGCZYKDJHITP-MOPGFXCFSA-N 347.503 2.997 0 50 EFAA COCCS(=O)(=O)Nc1c(F)cc(Br)cc1Cl 408515512 KZXBJAYBNBEZSN-UHFFFAOYSA-N 346.605 2.630 0 50 EFAA OCc1ccnc(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c1 641333111 ZQJVEQBITJHCEU-UHFFFAOYSA-N 335.411 2.743 0 50 EFAA COc1cccc([C@H](O)CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 225325866 AYPWJOHCIQKVNJ-USRYEYIWSA-N 333.453 2.817 0 50 EFAA Cc1nc(CCN[C@H](c2ccc(F)cc2)c2c[nH]nn2)sc1C 225409812 HVGCMJOBKAICTA-MRXNPFEDSA-N 331.420 2.939 0 50 EFAA O=C1COc2cc(C(=O)N3CCC(OC4CCCC4)CC3)ccc2N1 225525574 PJTNLIFTEAFTHP-UHFFFAOYSA-N 344.411 2.581 0 50 EFAA CC[C@]1(CO)CCCN1C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 190454363 QNPYCJXISSMAHW-GOSISDBHSA-N 343.431 2.653 0 50 EFAA C[C@H]1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CCS1 192291708 IPJCDAQWMDCRGB-ZDUSSCGKSA-N 348.472 2.571 0 50 EFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](O)c2ccccc2)cc1 193167814 OGHBREXDTSOGDC-KRWDZBQOSA-N 337.379 2.549 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccnn1CC(C)C 648772386 IJRJNQYGHTXWEC-OAHLLOKOSA-N 329.448 2.867 0 50 EFAA CCc1csc(CC2CCN(C(=O)CCc3ncccn3)CC2)n1 655263697 PUOYVZDJQRVBFL-UHFFFAOYSA-N 344.484 2.909 0 50 EFAA CC(C)(C)n1ncc2c(NCc3ncnn3-c3ccccc3)ncnc21 784581082 AXIZPMHBYSOWSH-UHFFFAOYSA-N 348.414 2.774 0 50 EFAA CNC(=O)c1cccnc1N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 1529177746 FWLOLJNZRCIVOX-NSHDSACASA-N 345.399 2.640 0 50 EFAA COc1ccc(-c2onc(N3CCO[C@H](C4CC4)C3)c2C(=O)O)cc1 1704314161 QTAGCPSTDMUEBN-AWEZNQCLSA-N 344.367 2.664 0 50 EFAA Cc1cc(NC[C@H](CO)Cc2ccco2)nc(N2CCCCC2)n1 1704302432 KROCSTRXSSHWCT-OAHLLOKOSA-N 330.432 2.631 0 50 EFAA COc1ccc2[nH]c(CN(CCO)Cc3cnc(C)[nH]3)c(C)c2c1 1704327214 AGWKDCOFZSXRHH-UHFFFAOYSA-N 328.416 2.511 0 50 EFAA CC[C@@]12C[C@@H]1CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1772805930 RPTHFOQGWXLCQK-KDOFPFPSSA-N 326.400 2.713 0 50 EFAA COCCC(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 11786281 RGNHQGUSIWRNNG-OAHLLOKOSA-N 326.396 2.513 0 50 EFAA COc1ccc(-c2nccn2CCc2cnn(C)c2)cc1CN(C)C 1857670430 NGCRLJHJRBDKOW-UHFFFAOYSA-N 339.443 2.597 0 50 EFAA CCOC(=O)N1CCC(n2ccnc2-c2ccnc(CC)n2)CC1 1857736853 YYACRWIRDPEKHL-UHFFFAOYSA-N 329.404 2.696 0 50 EFAA CNC(=O)[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 111265482 HASDNQQJDUPGIW-CYBMUJFWSA-N 333.819 2.953 0 50 EFAA COC(=O)c1c(Cl)ccc2cnn(CC(=O)N[C@H](C)C(C)C)c12 225825904 FIDATSPLPMTNMR-SNVBAGLBSA-N 337.807 2.637 0 50 EFAA O=C(N1CCC[C@@H](Cn2cncn2)C1)C1(c2cccc(Cl)c2)CC1 127292253 WOQBSDKXTXSZGJ-CQSZACIVSA-N 344.846 2.902 0 50 EFAA Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1cnnn1C 241171115 KEIFIHANAJIUQT-UHFFFAOYSA-N 338.415 2.859 0 50 EFAA CCCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)cc1 247898788 AAFGBCPFOGKVNC-WBVHZDCISA-N 330.428 2.558 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 348260649 CZVSRBRTJDOFFO-OALUTQOASA-N 342.414 2.835 0 50 EFAA CC(C)n1ccc(CNC(=O)N2CCOc3cccc(F)c3C2)n1 669870431 GNJOJLZMHFCCJJ-UHFFFAOYSA-N 332.379 2.707 0 50 EFAA CCC(=O)N1CCCC[C@H]1C(=O)NCc1c(Cl)cccc1OC 252499654 SDNSRBIHGNYUFR-AWEZNQCLSA-N 338.835 2.756 0 50 EFAA CCOCc1ccccc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 375053067 UXHVQHQOEVMXGZ-OAQYLSRUSA-N 339.435 2.759 0 50 EFAA O=C(c1ccc(OCc2ccccn2)cc1)N1CC([C@H]2CCOC2)C1 377011331 FREWVQJELKWAMO-INIZCTEOSA-N 338.407 2.769 0 50 EFAA CN(C)C(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 264822784 BBCGZGLOTXCYMU-SFHVURJKSA-N 338.455 2.860 0 50 EFAA O=C1CC[C@@H](c2nc(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)no2)CN1 817099538 DEMTWBPQSPFOTA-PKIBMFGLSA-N 335.835 2.892 0 50 EFAA CCN(Cc1c(F)cccc1F)C(=O)C1CCN(C(=O)OC)CC1 825274121 QUTVUSBMMJGBCN-UHFFFAOYSA-N 340.370 2.792 0 50 EFAA Cc1nc(CCC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cs1 2100542988 KUFYUYHREQQELV-MDBPOYHNSA-N 335.517 2.961 0 50 EFAA C[C@@H](NC(=O)c1ccnc(NC2CCCC2)c1)[C@H](N)c1ccco1 2325789475 RVYLUYDCLPHGCS-PXAZEXFGSA-N 328.416 2.847 0 50 EFAA O=C1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3O)cc21 2325841205 IFQKOIRXCVSLOI-UHFFFAOYSA-N 335.356 2.851 0 50 EFAA O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@H]1CCCCN1Cc1ccccc1 248884301 GXVUJKOROBPEGR-GUDVDZBRSA-N 345.487 2.501 0 50 EFAA CC(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 220134 OKCIJNUWTWRTST-UHFFFAOYSA-N 333.819 2.726 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21 428677 QFZSDNGOQSGORA-UHFFFAOYSA-N 334.372 2.536 0 50 EFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)no1 475509 OOAMEXUYYIGACN-UHFFFAOYSA-N 349.412 2.913 0 50 EFAA O=C(CSc1nc2ccccc2o1)NC(=O)c1ccccc1O 500850 WRURYJJFVUCNKC-UHFFFAOYSA-N 328.349 2.582 0 50 EFAA Cc1ccc2nc(NC(=N)NC(=O)Cc3ccccc3)nc(C)c2c1 1407771 KVKSMHRGQITYRC-UHFFFAOYSA-N 333.395 2.952 0 50 EFAA CCCCS(=O)(=O)C[C@H](C(C)(C)C)S(=O)(=O)CCCC 2913668 HRECHQFQDJDQQL-CYBMUJFWSA-N 326.524 2.831 0 50 EFAA CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C)N1c1ccc(Cl)cc1 2996610 GGECEEYXFGHNDP-UHFFFAOYSA-N 343.770 2.630 0 50 EFAA COc1cnccc1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cc1 2356147623 FWNSZJBWQCMGFP-UHFFFAOYSA-N 339.439 2.923 0 50 EFAA c1cn2c(-c3ccc(N4CCOCC4)cc3)cnc2c(N2CCCC2)n1 2356154882 NXZYJOWBKVOVJX-UHFFFAOYSA-N 349.438 2.833 0 50 EFAA COc1ccc(-c2noc(CNC(=O)NC3CCCCC3)n2)cc1 4512777 FLGXPWFEBVNLNH-UHFFFAOYSA-N 330.388 2.877 0 50 EFAA COC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4901657 MUVDMTFEGBFWBM-UHFFFAOYSA-N 340.379 2.562 0 50 EFAA COc1ccc(OC)c(N(Cc2cccc(C)c2)S(C)(=O)=O)c1 6729196 FFILMSURXADNPG-UHFFFAOYSA-N 335.425 2.978 0 50 EFAA CC[C@@H](O)C(=O)OCC(=O)c1cc(C)n(CCc2cccs2)c1C 225842466 VEWTXZGALKVLFF-MRXNPFEDSA-N 349.452 2.906 0 50 EFAA Cc1c(F)cccc1NC(=O)CN[C@@H](CC(C)C)c1ncnn1C 65490449 WCKJQJVULVRCQC-HNNXBMFYSA-N 333.411 2.578 0 50 EFAA Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)oc2c1C(=O)CC(C)(C)C2 118715871 YDCWONPDDYUIFI-RYUDHWBXSA-N 331.412 2.871 0 50 EFAA CCCn1cnnc1CNC(=O)c1cc(C)nc2cc(F)ccc12 65411004 KMXDRJPEIWWTHC-UHFFFAOYSA-N 327.363 2.614 0 50 EFAA Cn1cnnc1Sc1ccc(CN[C@@H]2COc3ccccc3C2)o1 20363248 JPJCJYAZJKRMNN-ZDUSSCGKSA-N 342.424 2.653 0 50 EFAA NC[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 333646453 JAYAWJODNLQVRH-JKIFEVAISA-N 341.459 2.927 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1 237393834 OUJARYASVCKSSQ-VQIMIIECSA-N 338.451 2.994 0 50 EFAA O=C(O)c1cccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 322207725 SQERJVFXMPMFSB-GFCCVEGCSA-N 330.306 2.869 0 50 EFAA O=C(O)CCN(C(=O)C[C@@H]1CCc2ccccc2C1)C1CCOCC1 328595554 XZMSHPZVVUUGOC-OAHLLOKOSA-N 345.439 2.664 0 50 EFAA C[C@H](O)CN1CCN(CCOc2ccc3ccccc3c2)C[C@H]1C 252474783 MGXRCEFDOIFGJK-SJORKVTESA-N 328.456 2.606 0 50 EFAA COc1c(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(C)nn1C 124876528 LMMSAIZSNUTCNH-KBPBESRZSA-N 344.459 2.963 0 50 EFAA C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ncc(Br)cn1 330629308 MVLBGQITGACERG-JGVFFNPUSA-N 334.164 2.852 0 50 EFAA CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 12336584 KNTFERUGZAZTRW-UHFFFAOYSA-N 332.303 2.801 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)[C@H](C)N 449594254 XPIQGECQIAYEFG-QWRGUYRKSA-N 334.851 2.537 0 50 EFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)c1 77489287 ZPWAAPNDGCITRT-QGZVFWFLSA-N 344.455 2.625 0 50 EFAA Cc1cccc2[nH]c(CCNC(=O)[C@H](C)n3cc(Cl)cn3)nc12 71416018 YFAFXNZZLQSHIZ-NSHDSACASA-N 331.807 2.641 0 50 EFAA CCn1nccc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77555406 FUEYSYOJDVNWDZ-AWEZNQCLSA-N 331.391 2.973 0 50 EFAA COc1cc2c(cc1CNC(=O)c1c(Cl)c(C)nn1C)CCC2 215931794 ALYAGYZSWJLNHH-UHFFFAOYSA-N 333.819 2.809 0 50 EFAA CCN1C[C@@]2(CCCN(CCOc3ccc(OC)cc3)C2)CCC1=O 72431627 FYWGFGGXBYPVLB-FQEVSTJZSA-N 346.471 2.799 0 50 EFAA Cc1cccc(C2(C(=O)N3CCC([C@H]4C[C@@H](N)CCO4)CC3)CC2)c1 333328153 VQQMKSHZVQDUJT-RBUKOAKNSA-N 342.483 2.772 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)c1 363136218 FSVIJEZGTUSEGI-SJORKVTESA-N 340.471 2.929 0 50 EFAA CC(C)CCCNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 240555901 GYBPBQDHRSDLPV-ZACQAIPSSA-N 348.487 2.905 0 50 EFAA CC(C)c1nccc(CN2CCC[C@@H](CNC(=O)C3CCC3)C2)n1 71315027 ASRRFIOEMKXCIE-HNNXBMFYSA-N 330.476 2.728 0 50 EFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@@H]1C(F)F 338472377 VUBOLDQIOHSJJH-CYBMUJFWSA-N 335.358 2.978 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)O)co2)c(OC)c1 262339450 CEUVEUZYKNEWRG-CQSZACIVSA-N 345.351 2.972 0 50 EFAA Cc1nnc(CN[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)o1 374815934 QJOBAGUAFPBSDR-NVXWUHKLSA-N 336.386 2.970 0 50 EFAA COC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccn1 72426684 CLWHPRMASBWYBA-GOSISDBHSA-N 342.439 2.903 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCCN(c2ccc(F)cc2)CC1 77555311 AXPHEMRAPDHIIZ-UHFFFAOYSA-N 342.370 2.907 0 50 EFAA O=C1CCCCN1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 286245850 UVXBDBQPEZVWMU-KSZLIROESA-N 326.440 2.794 0 50 EFAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@@H](O)c1cccc(Cl)c1 222626738 KPFGVHVUIYRJFB-INIZCTEOSA-N 335.835 2.792 0 50 EFAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3ncsc3c1)C2 220723357 XRCNIXLXBOOXBP-HNNXBMFYSA-N 342.424 2.592 0 50 EFAA CSc1nc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cs1 82166177 JPEXZSDDZIZPHC-UHFFFAOYSA-N 347.465 2.662 0 50 EFAA O=C(NCCc1ccncc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 92062428 ZBYFQMCOGUOFIF-KRWDZBQOSA-N 343.471 2.702 0 50 EFAA O=C(c1ccncc1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91270544 AFMOYBYLULPGIK-FQEVSTJZSA-N 341.455 2.869 0 50 EFAA CC(C)[C@H]1COC(=O)N1CC(=O)N(C)Cc1nc2ccccc2s1 95525281 RGYODCIDAMCWCF-CYBMUJFWSA-N 347.440 2.732 0 50 EFAA O=C(c1ccncc1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91425347 SXFZESZPJQLFFM-GOSISDBHSA-N 347.422 2.741 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N(CCCO)Cc1ccc(Cl)cc1 95369187 MJDCHQXLSBSFIA-QGZVFWFLSA-N 338.879 2.925 0 50 EFAA CCN(CC)C(=O)c1ccc(NC(=O)NCCc2c[nH]cn2)c(C)c1 97413173 SNWMLIUTXXSWHL-UHFFFAOYSA-N 343.431 2.564 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@H]2CCCN(C3CCCC3)C2)cc1 95511857 NIXBLXHMNGWYNZ-KRWDZBQOSA-N 344.455 2.698 0 50 EFAA COc1ccc([C@H](NC(=O)NC2CCCC2)[C@H]2C[C@@H](O)C2)cc1F 244795051 QYQKHOIFXXGYLH-QEORTHHSSA-N 336.407 2.888 0 50 EFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N([C@H]2CC[C@H](O)CC2)C1 244828568 TYPWLBUNPFRSEE-FTRWYGJKSA-N 345.439 2.890 0 50 EFAA Cc1cccc(C)c1OCCNC[C@@H]1CCO[C@H]1c1ccnn1C 299745421 YZJDFIBXXMDIRO-QFBILLFUSA-N 329.444 2.783 0 50 EFAA CCN(C(=O)NCc1cc(C)no1)[C@@H]1CCN(Cc2ccccc2)C1 184609708 DWGHPHDHCYCWFD-QGZVFWFLSA-N 342.443 2.789 0 50 EFAA Cc1ccccc1[C@@H](CNC(=O)N(C)CCCn1cccn1)N(C)C 534660338 NKZUDBMZYQPLOU-GOSISDBHSA-N 343.475 2.526 0 50 EFAA Cc1nc[nH]c1CSCCNC(=O)N(C)C1Cc2ccccc2C1 534667318 XXUSUGJAUZUHPZ-UHFFFAOYSA-N 344.484 2.760 0 50 EFAA Cc1ccc(C)c(OCCCN(C)C(=O)N[C@@H]2CCCN(C)C2)c1 534642239 PUKSOFOHYFQAPM-QGZVFWFLSA-N 333.476 2.808 0 50 EFAA CNc1nccnc1-c1cccc(C(=O)NCC2(O)CCCCC2)c1 534660374 UIADAVYIEPEQJS-UHFFFAOYSA-N 340.427 2.610 0 50 EFAA CCc1nc(C)c(C(=O)NCc2ccc(N3CCCC3=O)cc2)o1 292821037 STRZDYAQOCVBNX-UHFFFAOYSA-N 327.384 2.602 0 50 EFAA CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCCO2)c1ncnn1C 299775126 HHNDQNBCCMCARK-HNNXBMFYSA-N 328.416 2.657 0 50 EFAA Cc1nnc(CN2CCC(N3CCc4ccccc4C3)CC2)s1 299775478 JQLITIMCXAIZTH-UHFFFAOYSA-N 328.485 2.869 0 50 EFAA CCOc1ccc(C(C)=O)cc1NC(=O)N[C@@H](C)Cc1cnccn1 299793634 IQUYKHKNFCKBJB-LBPRGKRZSA-N 342.399 2.831 0 50 EFAA COc1ccc([C@@H](C)NC(=O)c2csc(S(C)(=O)=O)c2)cc1 270856740 IQCLQDNLHBNZDL-SNVBAGLBSA-N 339.438 2.651 0 50 EFAA C=CC(=O)N1CC(C(=O)N2CCC[C@@H](Cc3ccc(Cl)cc3)C2)C1 1875388137 ORQOAPRAAZGXDV-HNNXBMFYSA-N 346.858 2.766 0 50 EFAA CC(=O)Nc1ccccc1NS(=O)(=O)C[C@@H]1CC1(Cl)Cl 1875321669 QMYRQSOPEFDQFL-VIFPVBQESA-N 337.228 2.581 0 50 EFAA C[C@@H](NC(=O)c1ccnc(C(N)=O)c1)c1csc2ccccc12 1875305512 URXUKAIISXCHHQ-SNVBAGLBSA-N 325.393 2.886 0 50 EFAA CC[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 1875341737 FTDGHHJTLIHZBU-FXUDXRNXSA-N 344.521 2.858 0 50 EFAA CC(=O)N1CC[C@]2(CCCC[C@H]2NC(=O)c2cccc3c2OCC3)C1 1875336383 YMMABFPNMNHONO-YLJYHZDGSA-N 342.439 2.533 0 50 EFAA Cc1cc(-c2nc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)no2)cnn1 952848198 CWBBQUKLWMBXFI-LLVKDONJSA-N 331.376 2.559 0 50 EFAA CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2nn[nH]n2)cc1 952880288 CFWPWUHHQITKPW-SMDDNHRTSA-N 330.392 2.746 0 50 EFAA CCc1nc(CN2CCC(=O)N(Cc3ccc(C)cn3)C2=O)cs1 1875293576 VNUOCZACONJLJD-UHFFFAOYSA-N 344.440 2.763 0 50 EFAA C[C@@H](Nc1ccc(NC(=O)c2ccccc2)cn1)C1(O)CCOCC1 1875285748 XZZHVOZYSMODSS-CQSZACIVSA-N 341.411 2.676 0 50 EFAA COc1ccc(C)cc1CCNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875288433 CRBZAJKRWSPXJD-QWHCGFSZSA-N 343.427 2.721 0 50 EFAA Cc1ccc2c(C(=O)N3CC(c4nc(N)cc(O)n4)C3)c(C)ccc2c1 1875274581 KNZWCDBAUJAGPP-UHFFFAOYSA-N 348.406 2.774 0 50 EFAA COC[C@@H](Cc1ccccc1)NC(=O)N1CCOC2(CCC2)CC1 1875278131 BKOBMURPWBENNN-QGZVFWFLSA-N 332.444 2.599 0 50 EFAA CC1=C(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)OCCO1 952964731 DIUYPQWDSGYRJG-UHFFFAOYSA-N 345.374 2.686 0 50 EFAA CCn1c(C)ccc(C(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)c1=O 952860857 AESDDOHTGWDYKS-UHFFFAOYSA-N 340.383 2.628 0 50 EFAA COc1cccc(OCCn2cc([C@@H]3OCCC[C@H]3C(=O)O)cn2)c1 888076462 NFNUQRGJLGWPSA-SJORKVTESA-N 346.383 2.523 0 50 EFAA Cc1ccc(C)c(CCCC(=O)NCC(F)(F)c2n[nH]c(C)n2)c1 1775988236 IMECKTWQHTYTES-UHFFFAOYSA-N 336.386 2.961 0 50 EFAA CC(C)n1cccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565526684 XIMDKCXVGNIIJM-WMZOPIPTSA-N 343.427 2.568 0 50 EFAA O=C(O)c1cccc(I)c1Br 39326015 SLQSFNIMAOUADF-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC(=O)[C@@H](C)C1 186593167 WPSLYIDLWOKECW-RDJZCZTQSA-N 344.455 2.577 0 50 EFAA COc1ccc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)nn1 169991692 KFBJAABRNZSNEZ-UHFFFAOYSA-N 335.363 2.788 0 50 EFAA COc1cc(C)c(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1F 186757162 WKWPSFXRHYVRQA-GFCCVEGCSA-N 332.379 2.898 0 50 EFAA CSc1ccccc1S(=O)(=O)NCc1nccn1CC(C)C 170602317 KVALZTOCDBFVHS-UHFFFAOYSA-N 339.486 2.740 0 50 EFAA Cc1ccc(C(=O)NCc2nnc(C3CC3)o2)c(Br)c1 170619091 VZYYZVDGMRVKJB-UHFFFAOYSA-N 336.189 2.948 0 50 EFAA O=C(C1CC1)[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2O)CCO1 669911035 GYNDYILOIPEPOE-NSHDSACASA-N 344.194 2.519 0 50 EFAA CCSCc1ccccc1C(=O)N1CC[S@](=O)C[C@H](C)C1 280106651 MZWLUHVKWXCJAT-ASSNKEHSSA-N 325.499 2.780 0 50 EFAA Cc1ccccc1-n1nc(C(=O)NCC2CSC2)c2c1CCC2 408522180 FDLXLEXJBNYGBB-UHFFFAOYSA-N 327.453 2.762 0 50 EFAA COc1ccc(CCN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc1 225496320 KEOBAXUYRFEGLQ-KRWDZBQOSA-N 343.423 2.804 0 50 EFAA O=C(Cc1ccc2[nH]ncc2c1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225423564 XVJJVGNSOAXDNY-SJLPKXTDSA-N 339.370 2.579 0 50 EFAA Cc1n[nH]nc1C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 193900724 DBNSXSRTCCKROZ-UHFFFAOYSA-N 341.459 2.809 0 50 EFAA Fc1cc(CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2c(c1)COCO2 194024476 CXZUKINVSBLWIA-KBAYOESNSA-N 333.403 2.782 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccn(-c2ccc(Cl)cc2)n1 654169210 ZYGDQWKDPZCLLR-LBPRGKRZSA-N 332.791 2.523 0 50 EFAA COC(=O)[C@@H](OC(=O)c1ncccn1)c1ccc(Cl)c(Cl)c1 791391699 NUDNRSWVXWFDRG-NSHDSACASA-N 341.150 2.855 0 50 EFAA Brc1ccccc1[C@@H]1CN(Cc2csnn2)CCO1 120714816 COMAJKUOPGPFBF-ZDUSSCGKSA-N 340.246 2.874 0 50 EFAA Oc1cc(NC[C@@H](O)c2cccc(Br)c2)c(Cl)nn1 1875331870 XUFPHTOUHUCVSO-SNVBAGLBSA-N 344.596 2.744 0 50 EFAA CCN1CCN(CCOc2ccccc2CN2C[C@H]3C[C@]3(C)C2)CC1 1772813615 JYAJOIJLHIEOEQ-TZIWHRDSSA-N 343.515 2.545 0 50 EFAA OC[C@@]12CN(Cc3ccoc3)C[C@H]1CN(Cc1ccccc1Cl)C2 1775983176 ZDBDDWLWODXURU-HKUYNNGSSA-N 346.858 2.859 0 50 EFAA Cc1cc(C)cc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 11878457 UCQIYTGSRVNIFX-SFHVURJKSA-N 340.398 2.973 0 50 EFAA CC(C)(C)CN1CC[C@H](C2CCN(C(=O)c3csnn3)CC2)C1 12023762 ATOLYGXXIUPNAX-AWEZNQCLSA-N 336.505 2.758 0 50 EFAA C[C@@H](NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1)c1ccncn1 12429589 SVOFEECGQCQMRG-CYBMUJFWSA-N 346.394 2.694 0 50 EFAA COCCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 12588311 KAWYMCIOWXGHGI-INIZCTEOSA-N 336.451 2.575 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)c1 13323789 PDQYPIKBEBBHDT-JKGUZNAFSA-N 333.384 2.779 0 50 EFAA CC[C@@H](C(=O)N1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711879 UYXJBCGUDMGQNP-AWEZNQCLSA-N 344.864 2.507 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)Cn1ncc2ccccc2c1=O 17477791 DWPDURATUJSGCX-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]nc1-c1ccc(F)cc1 206652062 XOJPNNKNNCILLL-UHFFFAOYSA-N 340.314 2.634 0 50 EFAA COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1OC 2821327 WECOSTVISIRGIW-VBKFSLOCSA-N 341.363 2.648 0 50 EFAA Cc1c(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)[nH]c2c(C)cccc12 1857669734 LJJKGZTVEBVBKG-IFXJQAMLSA-N 328.412 2.708 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)c1cccc2c1OCCO2 1857711556 GKOJRHDSASKQMJ-UHFFFAOYSA-N 337.379 2.580 0 50 EFAA C[C@H]1CN2C[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]2CO1 1857717603 PSJCTBUPBCOLOQ-BPNCWPANSA-N 343.349 2.689 0 50 EFAA Cc1noc2ncnc(N3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)c12 225696177 AZANPVGNMIOVTP-GWCFXTLKSA-N 332.310 2.517 0 50 EFAA Cc1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 331911269 LXSSYHHYUOGNAR-PBHICJAKSA-N 332.350 2.545 0 50 EFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC(Cn2cnnc2)CC1 650627524 OHPLKKABZPYOSC-UHFFFAOYSA-N 348.834 2.558 0 50 EFAA C[C@H]1CCN(C(=O)c2cncc(F)c2)CCN1Cc1ccccc1 132497714 WGSNHQHOVPXXGQ-HNNXBMFYSA-N 327.403 2.957 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 16678712 YXZOAKWTRYIIPT-JTQLQIEISA-N 344.209 2.627 0 50 EFAA in-vitro CC(C)(Cc1ccccc1Cl)NC(=O)c1cnc(C(=O)O)cn1 263292833 RMNQFQCZFJVZOO-UHFFFAOYSA-N 333.775 2.579 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)c2ccccc21 393097784 DVWYNRSQCUHJTM-KUHUBIRLSA-N 337.375 2.906 0 50 EFAA c1ccc2c(c1)ncn2CCc1noc([C@@]23CCCC[C@@H]2NCC3)n1 904518597 FPUAWYRKKFXUGY-QFBILLFUSA-N 337.427 2.836 0 50 EFAA Cc1cc(F)ccc1[C@@H](C)NC(=O)c1coc2c1C(=O)NCCC2 830336896 JLZGZKASYCADQA-LLVKDONJSA-N 330.359 2.894 0 50 EFAA O=C(c1ccc(F)c(C(F)F)c1)N1CCC(n2cnnc2O)CC1 935748350 ADNBPSSIAXUVNN-UHFFFAOYSA-N 340.305 2.538 0 50 EFAA Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC[C@H]2C)on1 363135262 RSCZHOBRLAKFBQ-MRXNPFEDSA-N 342.443 2.518 0 50 EFAA CC(C)(C)OC(=O)N1CCc2c(I)ccnc21 1772820883 QHDSKXAYFCGICY-UHFFFAOYSA-N 346.168 2.984 0 50 EFAA CCc1cnc(NC(=O)[C@@H]2Cc3cc(Br)cnc3C2)o1 2325774323 JRNYNPYEWAJVNT-SECBINFHSA-N 336.189 2.748 0 50 EFAA CCc1cn2c(n1)C[C@@H](C(=O)NCc1cnc(-c3ccccc3)[nH]1)CC2 2325803053 NCJRXGHAUDNBLH-HNNXBMFYSA-N 349.438 2.714 0 50 EFAA Cc1ccc2c(C(=O)N[C@@]3(c4ccccc4)CCNC3)cnn2c1C 2325825780 BEQXCNHDNLPAOW-FQEVSTJZSA-N 334.423 2.570 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1 264568 JUJXNEMLGLBFHE-UHFFFAOYSA-N 330.453 2.814 0 50 EFAA C[C@@H](C(=O)OCc1nc2ccccc2[nH]1)n1cnc2ccccc2c1=O 389151 VIZHGCLCIAXUCR-LBPRGKRZSA-N 348.362 2.577 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc(CCC(=O)O)cc1)c1ccccc1 611420 MDTKTYGSCSFELM-ZDUSSCGKSA-N 333.409 2.743 0 50 EFAA Fc1ccc(-c2cnc3c(N4CCOCC4)nccn23)c2ncccc12 2356161606 BJUJDMGGKAPCID-UHFFFAOYSA-N 349.369 2.920 0 50 EFAA O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1 3855808 MQULHZQYCUTCFZ-UHFFFAOYSA-N 329.736 2.978 0 50 EFAA COc1ccc2[nH]nc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2c1 344775070 KGJPQVQLQYBYMW-UHFFFAOYSA-N 326.356 2.971 0 50 EFAA COC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccccn1 55370309 RFSWGLCQRDGVRS-MRXNPFEDSA-N 347.802 2.811 0 50 EFAA CCc1cc(=O)nc(SCc2nc(-c3ccc(OC)cc3)no2)[nH]1 9927238 XLNYJONDVPECOM-UHFFFAOYSA-N 344.396 2.683 0 50 EFAA CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@H]4CC[C@H]3C4)n[nH]2)c1 102385922 ICGUXDFAGYXHMK-BBRMVZONSA-N 339.395 2.816 0 50 EFAA CC[C@H](O)C1CCN(C(=O)CCC(=O)Nc2cccc(F)c2)CC1 20857837 JTBSVNNPQBNFKT-INIZCTEOSA-N 336.407 2.554 0 50 EFAA Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCN2CCCC[C@@H]12 229383742 OPBGUEXFTDKFQI-HIFRSBDPSA-N 345.468 2.997 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)nc1 67513975 YLUQHJYBADKQJY-IKGGRYGDSA-N 326.440 2.802 0 50 EFAA COC(=O)c1oc(CN2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1C 230117374 GQDAHKUNVQUMPJ-IUODEOHRSA-N 342.395 2.742 0 50 EFAA C[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2 67818808 ONJCPSVGTRKCQD-MRXNPFEDSA-N 338.455 2.914 0 50 EFAA CON(C)C(=O)[C@H](CCSC)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 252585465 IRHAVIRJKYKHCE-YUDUXTHKSA-N 326.506 2.542 0 50 EFAA CCc1nocc1CN1CC[C@H](Oc2cccnc2N2CCCC2)C1 328598299 LAAISVIKDKXWOH-INIZCTEOSA-N 342.443 2.886 0 50 EFAA CC(C)Oc1cncc(C(=O)N2CCO[C@H](c3nccs3)C2)c1 123563611 FNAQDNAITUQUMS-AWEZNQCLSA-N 333.413 2.539 0 50 EFAA CCCc1ncc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)s1 173105424 CWJPYPQGYPHHBW-UHFFFAOYSA-N 346.456 2.508 0 50 EFAA CCN1CC[C@@H](NCC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 253393096 RJRIQPRBSIDRCB-GDBMZVCRSA-N 330.831 2.823 0 50 EFAA Cc1nc[nH]c1-c1nccn1-c1ccc(CCC(=O)NC2CC2)cc1 72411590 YZUVTRCEDFWWKR-UHFFFAOYSA-N 335.411 2.782 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(c3ccnc4ccccc34)C2)nn1 284500332 KILJOEVVKOKMCY-LJQANCHMSA-N 337.427 2.895 0 50 EFAA O=C(Nc1cc(-c2nc(-c3ccc(O)cc3F)no2)ccn1)C1CC1 436879763 OBIQPNQRFYDBHG-UHFFFAOYSA-N 340.314 2.992 0 50 EFAA C[C@@]1(O)CCN(C(=O)c2ccccc2O)C[C@@H]1Cc1ccccc1 72144283 MZHZYNHYTQJQNI-OXJNMPFZSA-N 325.408 2.848 0 50 EFAA O=C(NCc1ccc(Br)s1)N[C@@H]1CCO[C@@H]1C1CC1 253415928 FJSRDHLMPNGZTB-ZYHUDNBSSA-N 345.262 2.877 0 50 EFAA O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCc3ccncc32)C1 253428142 ILJHKAXLHNTLKB-KRWDZBQOSA-N 335.407 2.523 0 50 EFAA COc1c[nH]c(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc1=O 72138690 GCTPAIDLOBSNMR-OAHLLOKOSA-N 342.374 2.736 0 50 EFAA Cc1ccc(-n2cccn2)c(-c2nccn2Cc2nnc3n2CCC3)c1 71767619 UWLLSAKNVQDGIC-UHFFFAOYSA-N 345.410 2.630 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCn2ccnc2-c2[nH]cnc2C)n1 71639411 YWNIMUUILGJXSD-UHFFFAOYSA-N 336.321 2.942 0 50 EFAA CCc1cnc(C)nc1N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71661312 OWVOFJKYVNSDIM-QGZVFWFLSA-N 330.476 2.821 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)CC2)n1 363017502 ROUSVEOXHRKECC-INIZCTEOSA-N 334.464 2.595 0 50 EFAA Cc1ncc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c(C)n1 367610148 MVRJGODURVFRTQ-HNNXBMFYSA-N 338.455 2.830 0 50 EFAA C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](CN(C)CC(=O)O)C1 262903701 PYAAKERJOTZGCU-HNAYVOBHSA-N 342.439 2.618 0 50 EFAA Cc1cccc(Oc2ncccc2NC(=O)[C@@H]2CN(C)CCO2)c1C 174718192 BQZNINCHJFLQNK-KRWDZBQOSA-N 341.411 2.760 0 50 EFAA CC[C@H]1CN(Cc2cnc(C)[nH]2)CCC(=O)N1Cc1ccccc1 71708057 SJEBPOUDNZKGHH-SFHVURJKSA-N 326.444 2.731 0 50 EFAA CC[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N(C)C 245620264 WMSQHIFKAIWTNZ-KFWWJZLASA-N 328.815 2.766 0 50 EFAA N[C@H]1CCCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 158332988 MUALMZHRIYUIST-YRYLYKBFSA-N 337.423 2.624 0 50 EFAA O=C(NCc1cnn2ccccc12)N1CCOC2(CCCCC2)C1 376505024 FTXUOIOGMKIFSP-UHFFFAOYSA-N 328.416 2.579 0 50 EFAA CCCc1cc(N2CCN(CC=C(C)C)[C@H](CCO)C2)nc(C)n1 72475210 LMMZWESWHUDUQA-GOSISDBHSA-N 332.492 2.577 0 50 EFAA COc1cc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)ccc1C 286886802 OSQNQUQTRVJGDU-KSZLIROESA-N 347.455 2.589 0 50 EFAA O=C(CSc1ccccn1)NCc1nc(-c2ccc(F)cc2)no1 222358317 APOLZQUWUZCPIF-UHFFFAOYSA-N 344.371 2.679 0 50 EFAA COc1ccccc1OCc1nn2c(=O)c3ccccc3nc2s1 17071093 RJEMDBALMITOGJ-UHFFFAOYSA-N 339.376 2.892 0 50 EFAA O=C1CCC[C@@H](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)N1 289137941 YGBJONNDNIFOBN-NSHDSACASA-N 325.290 2.967 0 50 EFAA CSCc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)o1 223641474 BHOYEFNLCWJGED-XHBSWPGZSA-N 332.425 2.780 0 50 EFAA Cc1ccc(-c2noc(C3CCN(Cc4ccco4)CC3)n2)nn1 82160399 FLGCCRRPMGCPKH-UHFFFAOYSA-N 325.372 2.808 0 50 EFAA CCCN(CCOC)C(=O)c1cccc(-c2cnn3cccnc23)c1 426497010 TXBGUJGHFSKSKO-UHFFFAOYSA-N 338.411 2.895 0 50 EFAA CC(C)[C@@H](CC(=O)O)NC(=O)N(C)Cc1cccc2cnccc12 426678141 QIESEEHECAQJAR-MRXNPFEDSA-N 329.400 2.876 0 50 EFAA O=C(NCCc1nc2ccccc2o1)[C@@H](O)c1ccc(Cl)cc1 221337492 FUSIYAPVKHURAD-INIZCTEOSA-N 330.771 2.874 0 50 EFAA CN(CC1(CO)CCOCC1)C(=O)NCc1ccc2sccc2c1 426538342 HWLJUWSRLKCBMG-UHFFFAOYSA-N 348.468 2.832 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2ccn(CCO)n2)C1 426405468 HJEYXMPIWVPXMC-KRWDZBQOSA-N 345.491 2.649 0 50 EFAA COc1ccccc1CC(=O)N1CCCN(c2ccncc2C)CC1 82166558 OAMBFQDQGLGQAQ-UHFFFAOYSA-N 339.439 2.680 0 50 EFAA Cc1cncnc1C1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 426563550 VWRBEKVTEBREDO-KRWDZBQOSA-N 337.423 2.742 0 50 EFAA C[C@@H](NC(=O)NC[C@]1(O)CCOC1)c1cccc(Cl)c1Cl 179594692 PLOGOCTVJSLYMI-YMTOWFKASA-N 333.215 2.505 0 50 EFAA CN1C(=O)CN(CCCOCc2ccccc2)C(=O)c2ccccc21 95515332 IRIAGATWTXISTK-UHFFFAOYSA-N 338.407 2.712 0 50 EFAA Cc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)c(C)c1 95353836 QVISYNWOVDJZPR-GOSISDBHSA-N 344.455 2.764 0 50 EFAA Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)O)s3)c2)n[nH]1 237825025 MMKNMEYBYJYPGH-UHFFFAOYSA-N 328.353 2.792 0 50 EFAA Cc1ccc(CN(CCO)C(=O)[C@@H]2OCCc3ccccc32)cc1 180939367 XTPLCFJUKKAXEF-LJQANCHMSA-N 325.408 2.630 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)NC(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95359114 IZIDZXHQNCKZQL-IPMKNSEASA-N 343.471 2.675 0 50 EFAA Cc1nnc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)o1 91586463 QNXVRIGSEYLIGF-UHFFFAOYSA-N 348.406 2.894 0 50 EFAA Cc1nn(C)c2nc(N3CCC[C@@H](C(=O)c4ccccn4)C3)sc12 95519591 FLGWRUIAPONHPS-GFCCVEGCSA-N 341.440 2.833 0 50 EFAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCc2[nH]cnc2C1 96142322 USJAJIMYNUKASQ-OAHLLOKOSA-N 339.317 2.615 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)Cc2cc(=O)n3cc(C)sc3n2)c1 252508424 XNEQJCMWJQACTK-ZDUSSCGKSA-N 342.468 2.831 0 50 EFAA O=C(CC1(n2cccc2)CCCCC1)NCc1nnc2ccccn12 253412375 QURNJIGTVGPVOV-UHFFFAOYSA-N 337.427 2.897 0 50 EFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)NC2(CN3CCCCC3)CC2)c1 534592855 YSQJCMNNJBMJMH-QGZVFWFLSA-N 344.503 2.981 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@@H](c3n[nH]cc3N)C2)cc1Cl 864380803 IOMUAOXIINZJJE-GFCCVEGCSA-N 348.834 2.603 0 50 EFAA Cc1nc(CNC(=O)N(Cc2cccnc2)C2CCCCC2)no1 534662648 JIBKYAONTVONIH-UHFFFAOYSA-N 329.404 2.818 0 50 EFAA C[C@@H]1CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C[C@H](c2ccsc2)O1 363899926 OOUKFWZBMIJJGU-DIOULYMOSA-N 346.456 2.500 0 50 EFAA CN1CCN(C[C@@H]2CCCN(Cc3sccc3Cl)C2)CC1 374814502 MEHCGLCEHGJZIM-AWEZNQCLSA-N 327.925 2.861 0 50 EFAA COc1ccc(-c2cc(CNC(=O)CN3CCCCCC3)no2)cc1 299792315 GVZZVSNKLIGNAH-UHFFFAOYSA-N 343.427 2.842 0 50 EFAA CCN(CC1CCOCC1)C(=O)N[C@H](CC(=O)O)c1ccccc1 823054318 RAVHAJNQKAYCBG-MRXNPFEDSA-N 334.416 2.661 0 50 EFAA Cc1ccc(OC[C@H]2C[N@]2CC2CC2)c(C(=O)N=c2cc[nH]cc2)c1 1875385046 LMWAMJWCDJXERJ-HXOBKFHXSA-N 337.423 2.537 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3cc4cccnn4n3)cc2)c1C 1875323089 WPSMAFLGNBWZCH-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA COCc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)cc1 952889575 BWQXXOKHKNPOLB-OAHLLOKOSA-N 343.383 2.622 0 50 EFAA COC[C@@H](O)CN[C@H](C)c1cc2cc(Br)ccc2[nH]1 952833132 JMRICFJGWZTRNT-SKDRFNHKSA-N 327.222 2.588 0 50 EFAA CCc1ccc(-n2cc(C(=O)N3CCc4ccc(O)cc4C3)nn2)cc1 1875289229 ZNFIAIMCXPAKNM-UHFFFAOYSA-N 348.406 2.734 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](c2cccnc2)C(C)C)nc(O)n1 952975276 SPXZJRXTKZVFBI-MRXNPFEDSA-N 328.416 2.903 0 50 EFAA CC(C)c1nccc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)n1 886048111 SSEJYTWUMIPJHP-QGZVFWFLSA-N 341.459 2.714 0 50 EFAA Cc1ccccc1[C@@H](C)NC(=O)N1CCC(N(C)C[C@@H](C)O)CC1 891391668 VEHWXDAYOVIVOU-HZPDHXFCSA-N 333.476 2.543 0 50 EFAA COc1cc([C@@H](C)Nc2cc(C)nc(C)n2)ccc1S(C)(=O)=O 1775994286 OUGZUTYQKIWOFZ-LLVKDONJSA-N 335.429 2.679 0 50 EFAA CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)CCO1 271696678 PIZATXIFXNOJNI-QYZOEREBSA-N 330.472 2.971 0 50 EFAA O=C(O)[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)C[C@@H]1C1CC1 1565525615 JKFFEXCSEUETIS-MSOLQXFVSA-N 332.419 2.837 0 50 EFAA Cc1cc2nc(CN(C)C(=O)[C@@H]3CC[C@H](C(=O)O)C3)[nH]c2cc1C 1565516630 CPCOGZVYEZAFNV-OLZOCXBDSA-N 329.400 2.639 0 50 EFAA O=C(NCC(=O)c1cccc2c1OCCO2)c1ccc(Cl)cc1F 170597633 HIWVLFNFZDMNJW-UHFFFAOYSA-N 349.745 2.863 0 50 EFAA Cc1ccc(Cc2nnn(Cc3ccn(-c4ccccc4)n3)n2)cc1 170606282 SAJWBLGNPBZOAS-UHFFFAOYSA-N 330.395 2.806 0 50 EFAA CC(C)C(=O)NC[C@H]1CCCN(C(=O)N2CCc3ccccc32)C1 171148346 XGOHWRYSRVNSDP-OAHLLOKOSA-N 329.444 2.653 0 50 EFAA O=C(NCc1nnc(C2CC2)o1)[C@@H]1CCCCN1Cc1ccccc1 188687679 RGEHVGWBAAYISF-INIZCTEOSA-N 340.427 2.618 0 50 EFAA COc1cccc(CNC2CCN(c3ccccc3OC)CC2)n1 190910494 XRWOIAKPNRXYGP-UHFFFAOYSA-N 327.428 2.857 0 50 EFAA C[C@@H](Cc1ccccc1F)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 658180816 PFBPRANDWBHSRY-VHFSOBRXSA-N 341.430 2.961 0 50 EFAA C[C@](CNC(=O)c1ccc2c(c1)CCOC2)(C(=O)O)c1ccccc1 659147866 DTUYDHMXHSKLOD-HXUWFJFHSA-N 339.391 2.532 0 50 EFAA COc1cccc(CCCNC(=O)c2cc(C(C)C)nc(N)n2)c1 1506403107 RDBBXQAKOUXONP-UHFFFAOYSA-N 328.416 2.553 0 50 EFAA Cc1c(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cnn1C 1529114567 PQHLDFZDTSDABB-MSOLQXFVSA-N 327.428 2.967 0 50 EFAA O=C(NC1CCCC1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 216646840 BHRKOMSLSIGXLT-AEFFLSMTSA-N 341.455 2.762 0 50 EFAA CCCCNC(=O)CC[C@@]1(Cc2ccc(OC)cc2)CCC(=O)N1 12244778 OJPOMCAXPQHYIU-IBGZPJMESA-N 332.444 2.583 0 50 EFAA Cc1c(C(=O)NC2CCCC2)sc2ncnc(N[C@@H]3CCOC3)c12 12338116 DZIJZYTVAXUDMB-GFCCVEGCSA-N 346.456 2.873 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1 12404418 BOFFPFZWQQTZRH-UHFFFAOYSA-N 328.343 2.550 0 50 EFAA CCN1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 15065720 YIFZOHZWXTUBPN-UHFFFAOYSA-N 332.444 2.794 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2[C@@H]2CC(=O)N(C)C2)c1 1857675598 FLQZWJOURUPNCK-OAHLLOKOSA-N 335.411 2.756 0 50 EFAA O=C1C[C@H](Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)CN1 1857681841 OWJBXNISHQLNDQ-NSHDSACASA-N 326.787 2.888 0 50 EFAA CCCCc1ccc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1 1857682180 FUSLINKDYZQKSZ-QGZVFWFLSA-N 345.439 2.983 0 50 EFAA O=C(O)c1cccnc1N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857695679 UGFHDIQLHAXWMC-UHFFFAOYSA-N 334.379 2.775 0 50 EFAA CC(=O)NC[C@H]1[C@H]2CN(CCC3CCCCCC3)C[C@]23CC[C@H]1O3 1857723410 FFVYAULTBLYTFI-MTQWCTHYSA-N 334.504 2.962 0 50 EFAA O=C(Nc1cccc(OC(=O)N2CCOCC2)c1)N1CCCCC1 197464 DPABBMRVFFVVHU-UHFFFAOYSA-N 333.388 2.535 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCC(C)(C)O2)CC1 345868285 NNNLHKVYBSNHKJ-QGZVFWFLSA-N 332.444 2.692 0 50 EFAA O=C(c1cccc2ccc(O)nc12)N1CC[C@H](OCc2ccncc2)C1 377695736 MOUFSNGZKIBEIF-INIZCTEOSA-N 349.390 2.767 0 50 EFAA CCC[C@]1(CO)CCN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1O 1704325083 CYUZOOOHGHDXIY-CZUORRHYSA-N 346.254 2.979 0 50 EFAA C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H]1COCCO1 818026843 YXONFHAWRPZPMS-HNAYVOBHSA-N 344.455 2.760 0 50 EFAA COCc1ncc2c(n1)CCN(C(=O)c1ccccc1-n1cccc1)C2 827813304 CKMDGVDOVLKSKL-UHFFFAOYSA-N 348.406 2.612 0 50 EFAA CO[C@@H](C(=O)N1CCc2nc[nH]c2C12CCC2)c1ccc(F)cc1 829057017 GDVYUNVYOJBJHE-OAHLLOKOSA-N 329.375 2.700 0 50 EFAA Cc1ccc(OC2CCN(C(=O)[C@@H]3NCC34CCCC4)CC2)cc1 852809198 VVDKBIGAFXIHEO-SFHVURJKSA-N 328.456 2.897 0 50 EFAA C[C@@H](NCCNC(=O)C1CC1)c1ccc(Br)cc1F 119122282 YOPWAFKGCJAQCR-SECBINFHSA-N 329.213 2.765 0 50 EFAA COc1ccc2oc(=O)c(C(=O)Nc3ccccc3C(=O)O)cc2c1 61872 ZGAOUTUGDQBISI-UHFFFAOYSA-N 339.303 2.752 0 50 EFAA O=C(NCc1ccc(-c2ccsc2)nc1)[C@@H]1CCc2nccn2C1 2325781871 XZXHUGPVIQBDMF-CQSZACIVSA-N 338.436 2.885 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn(C2CCOCC2)[nH]1 2325782034 PZVCHXOBBPEHKM-UHFFFAOYSA-N 335.795 2.657 0 50 EFAA O=C(O)Cc1ccc2c(c1)N(C(=O)[C@H]1CCOc3ccccc31)CC2 2325808251 JJOJGHOISAMQFK-INIZCTEOSA-N 337.375 2.769 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccnc(O[C@H]2CCOC2)c1 248553681 HNIUXZWCZFHQBK-CMURFVSUSA-N 342.439 2.804 0 50 EFAA COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 32017 AIWSETDPZBCSSI-UHFFFAOYSA-N 342.395 2.793 0 50 EFAA COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1 382004 NAMALABKROWNOF-UHFFFAOYSA-N 340.408 2.800 0 50 EFAA O=C(NCc1ccco1)[C@@H]1CC(c2cccc(Br)c2)=NO1 614586 FHUPWWRIQRMSBI-AWEZNQCLSA-N 349.184 2.852 0 50 EFAA S=C(NCc1ccccc1Br)NC[C@@H]1CCCO1 1056026 SJUVKYUPXLYXGR-NSHDSACASA-N 329.263 2.592 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc4c(cc3C)OCCO4)C[C@H]21 2356138945 TYHIKXWDGYSEPW-NBQZKYEYSA-N 345.439 2.779 0 50 EFAA COc1cc2c(cc1-c1cncc(C(=O)N3CCCCC3)n1)OCO2 2356158244 GFKGZUFMHKQMBG-UHFFFAOYSA-N 341.367 2.507 0 50 EFAA CN1CCC[C@@]2(CCCN2C(=O)CC(C)(C)c2ccccc2)C1=O 2356165851 QSSMHBWRGIXVKJ-HXUWFJFHSA-N 328.456 2.968 0 50 EFAA COc1cnccc1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1 2356169269 YBSXLUHDIZIYLU-FVQHAEBGSA-N 338.407 2.885 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)Nc1ccccc1F 134955471 GHZVJUCUUUVRGG-NSHDSACASA-N 346.406 2.902 0 50 EFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C)C1 10302246 HPLSBJLBTBUUPR-GFCCVEGCSA-N 344.864 2.649 0 50 EFAA Nc1nnc(SCCC(=O)Nc2nc3ccccc3s2)s1 10861594 LTKAHWSCPHCTFO-UHFFFAOYSA-N 337.455 2.851 0 50 EFAA Cc1nsc(NC(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 63856928 QNIBNPKOCQZTTF-UHFFFAOYSA-N 345.472 2.632 0 50 EFAA COc1ccc(-c2nc(CN3C[C@@H](C)NC[C@@H]3C)c(C)o2)c(F)c1 67896057 WWSXESIGNSSVTN-NEPJUHHUSA-N 333.407 2.980 0 50 EFAA Cc1cccc2ncc(C(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)n12 65396770 DFGGHLDJBQNNIG-QGZVFWFLSA-N 348.406 2.765 0 50 EFAA Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 20725260 SACOYVNTMBSOAG-LJQANCHMSA-N 344.430 2.696 0 50 EFAA O=C(CCN1CCc2onc(-c3cccc(F)c3)c2C1)N1CCCC1 67934131 DOYBSPZYJIKRSZ-UHFFFAOYSA-N 343.402 2.851 0 50 EFAA C[C@H](c1ccccc1)S(=O)(=O)c1nnc2n(C)c3ccccc3n12 350146871 NHEMINZFKOOIAT-GFCCVEGCSA-N 340.408 2.756 0 50 EFAA Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20745014 IFAMNDGRODSSLP-OAHLLOKOSA-N 347.378 2.776 0 50 EFAA O[C@@H]1CN(c2ncnc3[nH]cnc23)CC[C@H]1c1ccc2ccccc2c1 67459760 VUSNGAHPEUOXPV-DLBZAZTESA-N 345.406 2.861 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)NCc1c(Cl)cccc1OC 252483117 DVLNLOVRHBVLSK-CQSZACIVSA-N 338.835 2.756 0 50 EFAA Cc1cccnc1CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 67588517 NRXUUZPYMPZEMC-UHFFFAOYSA-N 337.427 2.691 0 50 EFAA Cc1nc(S)sc1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 252516760 WNPXAAWJQJOBMA-ZLKJLUDKSA-N 338.498 2.747 0 50 EFAA O=C(C1CCCC1)N1CC[C@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1 127761063 DAQYMCUVPWFQFG-ROUUACIJSA-N 338.455 2.880 0 50 EFAA COc1c(C)cnc(CN(C)C(=O)c2cc(C(C)C)nn2C)c1C 65383786 NVFTXVWKOPDJHT-UHFFFAOYSA-N 330.432 2.836 0 50 EFAA COc1cccc(OCc2nc(C(=O)NC[C@H]3CCCCO3)co2)c1 11816197 VWUVSUSOJDFKIX-OAHLLOKOSA-N 346.383 2.561 0 50 EFAA CC(C)n1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)cn1 253420205 GGWHJWVYYPVRKJ-UHFFFAOYSA-N 343.431 2.584 0 50 EFAA CSc1ccc(C)c(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 253418380 QEJUYKWQNZETNN-KBPBESRZSA-N 337.489 2.636 0 50 EFAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3COCCN3)c2)C1 253433613 ZJAGHNLXZHRAQQ-FHLIZLRMSA-N 332.444 2.709 0 50 EFAA CSc1ccccc1C(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 77406965 YEUDPFSEGPHWER-ZDUSSCGKSA-N 343.452 2.877 0 50 EFAA CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 363110020 GMMYURLKAIBJTI-SJORKVTESA-N 329.444 2.734 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)CC(C)(C)CC3)C1 332169556 MFUNFOHTYMZTCM-LBPRGKRZSA-N 335.473 2.855 0 50 EFAA C[C@@H]1Oc2c(cccc2C(=O)NC2(c3ccccc3F)CC2)NC1=O 126789500 VBXWJMCXIKWOLK-NSHDSACASA-N 340.354 2.964 0 50 EFAA CN(Cc1cccc2ncccc12)C(=O)CCc1nc(Cl)n[nH]1 77319267 IKVRXJOVQQHHOX-UHFFFAOYSA-N 329.791 2.598 0 50 EFAA CC(C)CCC[C@@H]1CN(C(=O)c2ccccc2-c2nnn[nH]2)CCO1 71498859 FIBHBVDQFUMEDF-CQSZACIVSA-N 343.431 2.534 0 50 EFAA Cc1ccc(CN(C)C(=O)C[C@H]2COCCN2Cc2ccoc2)s1 72479717 HUOUIHBTEWNOEL-INIZCTEOSA-N 348.468 2.899 0 50 EFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCc2ccncc2)C1 215940912 AZGCDVZCZRGPJE-LJQANCHMSA-N 337.467 2.961 0 50 EFAA O=C(Cc1cc2ccccc2s1)N1CC[C@](O)(C(F)(F)F)C1 449972067 CRYCWBFBAHAIQF-CQSZACIVSA-N 329.343 2.970 0 50 EFAA Cc1nc(C)c(F)c(N2CCCN(C(=O)Oc3ccccc3)CC2)n1 490936471 OYXHFZOAZKQWLR-UHFFFAOYSA-N 344.390 2.944 0 50 EFAA COc1ccc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc1 343399518 PRQUTQXIPBYSEG-QUCCMNQESA-N 337.423 2.684 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)NCc2ncc3c(n2)CCC3)cc1 72425502 KKCKGCSXKAHKSL-UHFFFAOYSA-N 339.439 2.599 0 50 EFAA COCc1nc(N[C@H](C)c2cc(F)cc(F)c2)c2cnn(C)c2n1 72154187 IGPOWHZXDJWERZ-SECBINFHSA-N 333.342 2.961 0 50 EFAA O=C(N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccco1 12713473 WTZIGFRKMVNQRD-CQSZACIVSA-N 332.787 2.506 0 50 EFAA Cn1ccc(/C=C/C(=O)N2CCC[C@H](Cc3nnc4ccccn34)C2)c1 372831649 POZVCRQOJFVBAU-IWAYRVGRSA-N 349.438 2.562 0 50 EFAA O=C(CN1CCC2(CC1)CC2)NCc1ccc(CN2CCCC2)cc1 378327265 RDNDKWDPLZAFHK-UHFFFAOYSA-N 341.499 2.775 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCCn2cccn2)[C@H](C)C1 77564505 WNGGOLJBVZISJX-QGZVFWFLSA-N 326.444 2.709 0 50 EFAA Cc1cccc2c(CC(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)O)c[nH]c12 262946238 KZGYOLCEMNNHRR-QITLCBANSA-N 326.396 2.731 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)[C@H]1CCN(C2CCCCC2)C1 376490590 HLZXEXAXHHIPEJ-AWEZNQCLSA-N 329.444 2.747 0 50 EFAA Cc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)nn1 239672698 BUTMPDLHMQPJJH-ROUUACIJSA-N 336.439 2.627 0 50 EFAA C[C@H](O)CN1CCN(CCOc2c(Cl)cccc2Cl)C[C@H]1C 241132965 JNPHQYLQQHMJSO-OLZOCXBDSA-N 347.286 2.759 0 50 EFAA CN(C(=O)c1ccoc1)C1CCN(c2ncnc3ccccc23)CC1 241587820 OXJOXBWZKSVNHZ-UHFFFAOYSA-N 336.395 2.964 0 50 EFAA COc1c(C)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1C 263180424 RIBWAFJMYJAPTP-MRXNPFEDSA-N 327.380 2.738 0 50 EFAA CCSc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)s1 219295102 XEHPLJOCIWCXLB-CQSZACIVSA-N 326.443 2.527 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@H](COc2ccccc2F)C1 72431030 ZBOOQSYMECIMKH-ZDUSSCGKSA-N 348.374 2.770 0 50 EFAA CSCc1ccc(C(=O)NCc2ccccc2-n2cncn2)o1 219603533 MUHHQALRZUHRCL-UHFFFAOYSA-N 328.397 2.653 0 50 EFAA CCOc1ccc(C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1 13959667 SBVLIMTVJUKYGK-UHFFFAOYSA-N 341.392 2.842 0 50 EFAA COc1cccc(SCC(=O)N2CCC(c3ccncn3)CC2)c1 221313209 DJEOFLOWJNFAHA-UHFFFAOYSA-N 343.452 2.984 0 50 EFAA COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@H](C)c1nccs1)C2 225458606 KKVKTYRNDXNBMU-XHBSWPGZSA-N 337.445 2.579 0 50 EFAA Cc1cc2c(cc1C(=O)N1CCC[C@H](Cn3ccnc3)C1)OCCO2 223524293 JIZHHXOXBZRVMD-OAHLLOKOSA-N 341.411 2.515 0 50 EFAA COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)c1OC 222495933 PCTRNHXGDDDRDQ-NVXWUHKLSA-N 349.427 2.574 0 50 EFAA Cc1nc(CCNC(=O)CSc2ccncc2)nc2c1CCCC2 220519274 WQJFDJZZSDRDJZ-UHFFFAOYSA-N 342.468 2.510 0 50 EFAA Cc1cc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)n[nH]1 227143887 WKOYMFDABKTXFL-UHFFFAOYSA-N 336.384 2.507 0 50 EFAA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(-c3ccccc3)nn2)n[nH]1 162389611 DSFQKVNZQBDLHH-GFCCVEGCSA-N 336.399 2.928 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 91536776 XUFWILMBGRNEJM-IBGZPJMESA-N 349.475 2.846 0 50 EFAA CCCc1cc(CN(C)C(=O)Cc2c(C)nc3ccccn23)n[nH]1 426513719 QKNDYHSDRADNLO-UHFFFAOYSA-N 325.416 2.519 0 50 EFAA COc1ccc(CCCNC(=O)c2cc(-c3ccncc3)n[nH]2)cc1 97635047 LVEKBGNMAMVPBA-UHFFFAOYSA-N 336.395 2.843 0 50 EFAA O=C(c1cc2c(s1)CCCC2)N1CCCO[C@H](Cn2cccn2)C1 91768904 FFLAEAIYPRRDNY-HNNXBMFYSA-N 345.468 2.755 0 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O=C(CCc1ccccc1F)N[C@H]1CCCN(C(=O)c2ccco2)C1 828012987 GQZYNYWNLWYDJL-HNNXBMFYSA-N 344.386 2.772 0 50 EFAA COc1ccc(NC(=O)CCc2c(C)noc2C)cc1C(=O)N(C)C 824699814 JMECJIUAJCKQHK-UHFFFAOYSA-N 345.399 2.573 0 50 EFAA Cc1noc(C)c1CC(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 827847034 UQEDBGYBZGICHO-NSHDSACASA-N 327.384 2.988 0 50 EFAA CC(C)C[C@@H](C(N)=O)n1cnc2c(Cl)ccc(Cl)c2c1=O 584888581 CHCOOLIUZUPEPK-JTQLQIEISA-N 328.199 2.776 0 50 EFAA Cc1nn(C)c2ncc(C(=O)N3CCCc4c(Cl)ccnc43)cc12 1875323051 URRGWTYNBBBNAK-UHFFFAOYSA-N 341.802 2.918 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](CCC(=O)O)C1 1875300672 NHCGTKMLELHDCS-JTQLQIEISA-N 330.306 2.736 0 50 EFAA CC(C)c1ccccc1CNC(=O)N1C[C@H](CO)OC2(CCC2)C1 1875354111 RDWJJVUWUGIMRL-MRXNPFEDSA-N 332.444 2.635 0 50 EFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1ccc(F)o1 1875401844 UJNYRJIEXFKDKA-SMDDNHRTSA-N 348.378 2.910 0 50 EFAA O=C(NC1([C@H]2CCCN2C(=O)[C@@H]2CC23CC3)CC1)c1sccc1F 1875406556 HJCPYFXFDCIFJA-WCQYABFASA-N 348.443 2.941 0 50 EFAA 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1506422704 CJNURZVJCDDTJO-UHFFFAOYSA-N 326.440 2.906 0 50 EFAA O=C(C1CCC1)N1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506431213 DWWOVKUTLVDGOF-LJQANCHMSA-N 327.472 2.600 0 50 EFAA CC(C)c1noc([C@@H]2CCCN2CCC(=O)Nc2cccnc2)n1 1529197456 QOKVKQBKBFFVBA-AWEZNQCLSA-N 329.404 2.754 0 50 EFAA O[C@H]1C[C@@H]2CN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@@H]2C1 1800408239 CLQQOMKXJUITAV-QLPKVWCKSA-N 329.831 3.000 0 50 EFAA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CC(=O)O 147348175 MOXGCULBLSUQQV-OAHLLOKOSA-N 334.416 2.583 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNC(=O)Cc2ccc(O)c(F)c2)n1 1772812157 CNDFWZFYXSXFBC-UHFFFAOYSA-N 343.280 2.507 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 11785020 QIEMGWXWTCFWKA-DLBZAZTESA-N 339.439 2.743 0 50 EFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F 11813100 QDVUFYHJOHPSHZ-ZDUSSCGKSA-N 346.358 2.866 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cn2nc(C)cc2C)c(C)c1 16649973 VSGPEWRPUZUVEO-OAHLLOKOSA-N 335.473 2.792 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccn2nccc2c1 1857729985 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2.861 0 50 EFAA CS(=O)(=O)c1cccc(-c2csc(-c3ccnc(O)c3)n2)c1 341256234 GRIJCWIENHDOOA-UHFFFAOYSA-N 332.406 2.981 0 50 EFAA CC(C)OCC[C@@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 660857219 IIJLNHVKRRGCNX-QGZVFWFLSA-N 345.487 2.993 0 50 EFAA NCCc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)cc1 247713764 LXRCIBOLMNHLCJ-RTWAWAEBSA-N 327.516 2.884 0 50 EFAA Cn1cc(CN[C@H]2CCN(c3ncccc3Cl)C2)c(C(F)F)n1 360965664 HZTJEUSKUYBHMO-NSHDSACASA-N 341.793 2.775 0 50 EFAA COC[C@H](NC(=O)c1cc(-c2cc(OC)ccc2OC)on1)C1CC1 151995716 UBXXJHRHRAZXKM-HNNXBMFYSA-N 346.383 2.514 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]1c1nncn1C 152243908 OJNSDQDOBGOALW-WCQYABFASA-N 347.394 2.571 0 50 EFAA O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)C1CCNCC1 153318562 MOPHLKSKWKEASA-UHFFFAOYSA-N 335.835 2.514 0 50 EFAA Cc1ccc(O)c(CN(Cc2nccs2)[C@H]2CC23CCNCC3)n1 261814950 RWODGPNBNHJLNS-INIZCTEOSA-N 344.484 2.696 0 50 EFAA O=C(N[C@H](CO)c1c(F)cccc1F)c1ccnc(NC2CCC2)c1 901301227 BIIKWKAPQMMUEM-OAHLLOKOSA-N 347.365 2.788 0 50 EFAA COc1cc(CN(C)C2CCN(C)CC2)cc(Br)c1O 199578 YZXRGTDIIBSHEK-UHFFFAOYSA-N 343.265 2.689 0 50 EFAA CNc1nc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cs1 155495172 RCRNKYPMXUPFNB-AWEZNQCLSA-N 344.484 2.921 0 50 EFAA O=C(c1ccsc1Br)N1CCCC[C@H]1c1nc[nH]n1 333657248 GEUMXLJLDMOTAE-VIFPVBQESA-N 341.234 2.996 0 50 EFAA CN(C)[C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C2(CCOCC2)C1 2325783589 KCTXIVJDDRUPPE-MNNVXMFVSA-N 334.504 2.915 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2cc3c[nH]cnc-3n2)CN1Cc1ccccc1 2325786639 LEOMSMZSBPTKHT-MRXNPFEDSA-N 349.438 2.692 0 50 EFAA COc1cccc(CN2CC3(CCOCC3)C[C@@H]2CC(=O)O)c1C 2325787363 WQKBXACEBYHJCN-INIZCTEOSA-N 333.428 2.849 0 50 EFAA CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1ccc2nn[nH]c2c1 2325798179 SRSUXJYAWZYCMX-ZMZPIMSZSA-N 342.374 2.532 0 50 EFAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(C2CCCCC2)s1 2325804833 VIFQZMSVEDSPRT-GFCCVEGCSA-N 325.455 2.836 0 50 EFAA CN(C)C(=O)c1cccc(NCc2ccc(-c3cscn3)nc2)n1 2325821081 AMJAYVRGEMTIGG-UHFFFAOYSA-N 339.424 2.914 0 50 EFAA CCn1nccc1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 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328.412 2.732 0 50 EFAA CC1([C@@H]2CCCN(C(=O)NC[C@H]3C[C@H]3c3ccccc3)C2)OCCO1 248449725 IICKDCLYBOOYEM-KURKYZTESA-N 344.455 2.975 0 50 EFAA Cc1cccnc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100298294 RZGLZYIAEHMDHM-UHFFFAOYSA-N 335.363 2.609 0 50 EFAA CO[C@@H]1CCC[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)C1 248498549 OJDUKLPCOFWCBC-MGPQQGTHSA-N 337.441 2.854 0 50 EFAA CC(C)(CN1CCCC1)CN1CCC(Cn2cc(C3CC3)nn2)CC1 55199753 DRIJEUZQRSSLNK-UHFFFAOYSA-N 345.535 2.990 0 50 EFAA CC(C)NC(=O)[C@@H]1C[C@H](NC(C)C)CN1Cc1ccccc1Cl 23374142 XQCUZVMLJZGBGG-RDJZCZTQSA-N 337.895 2.806 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2coc3c2C(=O)CCC3)C1 67788227 IJXQMPHPBKRRNU-FQEVSTJZSA-N 339.391 2.841 0 50 EFAA O=C([C@@H]1CCCN1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 67472705 LRZMFGKBQCHZRF-AWEZNQCLSA-N 331.803 2.632 0 50 EFAA O=C(NC[C@H]1CCCO1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 229655212 QRPKHAGQYVZYSN-XVLXNVKGSA-N 343.471 2.660 0 50 EFAA CN(C(=O)CN1CCC[C@@H](CCO)C1)[C@H]1CCCc2ccccc21 230142465 XYVMUKZWFVKHOA-LPHOPBHVSA-N 330.472 2.617 0 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C[C@@H]1C[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCO1 262941511 HSKGNSLWPMTLBK-RHSMWYFYSA-N 345.439 2.981 0 50 EFAA Cc1ccc(CS(=O)(=O)N2CCC[C@]3(CCCCO3)C2)cc1F 373111378 LALJRJNIEOPDSB-QGZVFWFLSA-N 341.448 2.999 0 50 EFAA COc1cc(C)c([C@@H](C)NC(=O)N[C@H]2CC[C@H](O)CC2)cc1OC 245502580 CAHGFRJSOMSDAN-MGPQQGTHSA-N 336.432 2.676 0 50 EFAA CCCc1cc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)no1 216403415 FCUPRYKPHNSHCT-IBGZPJMESA-N 340.379 2.877 0 50 EFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc(-n2cnnc2)cc1 216001266 JFJSZPCSYMEJQE-AWEZNQCLSA-N 347.300 2.696 0 50 EFAA CN1CCN(C(=O)C2(N3CCCC3)CCCC2)C[C@H]1c1ccccc1 215555612 XWXWTCKBECOOEH-IBGZPJMESA-N 341.499 2.910 0 50 EFAA CN(Cc1cnc(N2CCCC2)nc1)Cc1cccc(-n2cccn2)c1 72430411 QZPRBIPPEXXWJS-UHFFFAOYSA-N 348.454 2.895 0 50 EFAA O=S(=O)(CC1CCCCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 241897153 TWAKSVGDBRYWPI-BZUAXINKSA-N 327.490 2.834 0 50 EFAA CCO[C@@H]1C[C@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 241969493 UWQORDYKBWRBKB-RBUKOAKNSA-N 341.455 2.936 0 50 EFAA CN(C)[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72408586 XBWKWZCQWCGVKJ-GOSISDBHSA-N 332.488 2.946 0 50 EFAA COc1cc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)ccc1C 287106371 XPPPQIKDSSUPPJ-KRWDZBQOSA-N 343.427 2.635 0 50 EFAA COCc1cc(CNC(=O)c2csc(Cc3ccccc3)n2)n[nH]1 82172134 LFHVERKVCCIQEA-UHFFFAOYSA-N 342.424 2.533 0 50 EFAA O[C@H]1C[C@H]([C@@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 220670965 HQEAAVRBEVLGEJ-OXFYSEKESA-N 341.455 2.741 0 50 EFAA CC(=O)N1CC2(CCN(Cc3cc(C)cc(C)c3)CC2)C[C@@H]1C(=O)O 82121405 TYFHBCWHQRLPGK-GOSISDBHSA-N 344.455 2.591 0 50 EFAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccccn2)no1)C(C)C 20201416 XFYDKUSPLRVKSE-UHFFFAOYSA-N 340.431 2.893 0 50 EFAA CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 135734197 UJSPOGZSUSQIOC-DARAHFNDSA-N 345.395 2.939 0 50 EFAA CCCN(Cc1nccn1C)C(=O)[C@@H](C)N1CCc2ccccc2C1 95377368 VLYPUVHIMOBLJA-MRXNPFEDSA-N 340.471 2.606 0 50 EFAA CCSc1nc(CC(=O)N2Cc3ccccc3[C@@H](O)C2)cs1 91411491 BYVPYOROYOVCHA-AWEZNQCLSA-N 334.466 2.873 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 92064733 KBEHIRFAQBZZEV-CYBMUJFWSA-N 337.420 2.610 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc(O)n1 180768442 PVIOICBXACLBAX-IRXDYDNUSA-N 344.386 2.963 0 50 EFAA CCCc1nc(N2CCc3[nH]c(-c4ccc(OC)cc4)nc3C2)no1 96179729 GXPDZXBTLSENAD-UHFFFAOYSA-N 339.399 2.984 0 50 EFAA CCNC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 91468838 VWYSBTLXSLNFFF-QGZVFWFLSA-N 343.471 2.834 0 50 EFAA Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccccc1 91871945 PQGCEWVGKOFMCJ-QGZVFWFLSA-N 326.444 2.762 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2 95517380 FXZMSECSQZLKBT-ZDUSSCGKSA-N 329.400 2.655 0 50 EFAA O=C1Nc2ccccc2CC[C@H]1N1CC[C@H](OCc2ccncc2)C1 298485801 JIFLTYAGULUIFF-PKOBYXMFSA-N 337.423 2.626 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)N1CCC(Oc2cccnc2)CC1 299776951 IUFDIXMKCMODEK-AWEZNQCLSA-N 328.416 2.608 0 50 EFAA CN(C)[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 584900972 GWRHZMYMYCOUFD-CQSZACIVSA-N 348.447 2.795 0 50 EFAA COCCc1nc(CCc2ccc3c(c2)OCO3)n(C(C)(C)C)n1 670462496 JAZWWCMGCWWARI-UHFFFAOYSA-N 331.416 2.736 0 50 EFAA C[C@H](Oc1ccc2c(c1)OCO2)c1nc(CC2CCN(C)CC2)no1 67818398 YMRKZFQIRFUCNL-LBPRGKRZSA-N 345.399 2.823 0 50 EFAA FC(F)(F)[C@@H](CCN1CCC[C@@H]1c1ccc[nH]1)N1CCOCC1 1875275678 UCLDCGJYZRIVTL-HUUCEWRRSA-N 331.382 2.805 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)c2ccn3c2CCC3)[C@H]1Oc1ccccc1 1875271623 BSXXJSCDBFDPCN-QXAKKESOSA-N 340.423 2.789 0 50 EFAA Cc1ccc(-c2c[nH]cc2C(=O)N2CC[C@@](O)(c3cc[nH]n3)C2)s1 1875297046 AIJKHKDDCBKRGM-KRWDZBQOSA-N 342.424 2.508 0 50 EFAA Cc1ccc(Cl)c(S(=O)(=O)CC(=O)N2CCCC2(C)C)c1 1875280295 QKDSRFJLBFVPPW-UHFFFAOYSA-N 329.849 2.823 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)cc1 1875368095 PIFMNNQOELTKNV-KRWDZBQOSA-N 338.411 2.793 0 50 EFAA CON1CCC(CC(=O)N2CC[C@H](CC(=O)O)c3ccccc32)CC1 1875394130 WYDJZGQLXMNMDR-OAHLLOKOSA-N 346.427 2.645 0 50 EFAA O=C(NCc1nc(C2CC2)cs1)N1CCC(O)(C(F)(F)F)CC1 271786085 MIWZPMDMWDUTHY-UHFFFAOYSA-N 349.378 2.619 0 50 EFAA Cn1nccc1CCC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952975476 RSHPZDASHHHASK-SFHVURJKSA-N 343.427 2.939 0 50 EFAA COc1cccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)c1 886038166 HNIIWWNKJRRWMO-ZFWWWQNUSA-N 330.350 2.727 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)NC[C@]12C[C@H]1COC21CCC1 890183006 AXXXCBUUPMQCFH-SCLBCKFNSA-N 325.412 2.571 0 50 EFAA CC(C)c1ncncc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 271997994 GPNLLPZEFFEOMO-MRXNPFEDSA-N 325.412 2.684 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NCc2nc(C)[nH]c2Br)C1 1775985322 PVMYCUJAJBBGKM-BFKGZMGPSA-N 348.310 2.650 0 50 EFAA C[C@]1(O)CCN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1Cc1ccccc1 1565528342 NEOUCSIMFJGRTO-UZLBHIALSA-N 339.439 2.743 0 50 EFAA Cc1ccccc1NCCC(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O 273910861 UDIDCHKOGIESEM-WMZOPIPTSA-N 344.455 2.784 0 50 EFAA CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1 677304804 QXXOHPMXDLERHD-LBPRGKRZSA-N 331.338 2.988 0 50 EFAA Cc1ccc(-n2nnnc2NCCN2c3ccccc3C[C@H]2C)cc1 170597277 JDUCNAJUEBKXQI-OAHLLOKOSA-N 334.427 2.834 0 50 EFAA COc1ccccc1O[C@@H](C)CNC(=O)CC[C@@H]1CCCCN1C 170614648 LQLLAQIJTKPIGD-HOTGVXAUSA-N 334.460 2.843 0 50 EFAA Cc1nccn1C[C@@H](C)CNC(=O)c1c[nH]nc1-c1ccsc1 188523724 PSWKNRNMJBIJIW-NSHDSACASA-N 329.429 2.709 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)s1 408521524 XOIRFKHCOUDDLB-CYBMUJFWSA-N 333.413 2.610 0 50 EFAA CC(C)Oc1ccccc1C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 408520646 PWNAQSHKPUVJCH-GOSISDBHSA-N 340.379 2.951 0 50 EFAA Cc1cncc(NC(=O)C(=O)N(c2cccc(N)c2)C2CCCC2)c1 189574166 AFXXGZZJLLZEKW-UHFFFAOYSA-N 338.411 2.887 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1cccc(Cl)c1 664744694 KKCLGUVNBLOZSP-JTNHKYCSSA-N 344.864 2.666 0 50 EFAA COC(=O)c1cc(Br)cc(I)c1 2568106 WUSQONUPNHFBOU-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro COc1ccc(NC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)c(C)c1 1704297522 AMDSJFLGYCYRLV-SFHVURJKSA-N 348.443 2.932 0 50 EFAA CN(CC(C)(C)O)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772818553 UNAXTFQANZCTNB-ZDUSSCGKSA-N 345.468 2.539 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncn(-c3ccccc3)n2)C1 18068146 AKZZVNGDPJHFLB-OKILXGFUSA-N 330.457 2.864 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1sccc1Cl 408076015 BLZAKZUVXAUOQP-LLVKDONJSA-N 325.821 2.955 0 50 EFAA COc1ccccc1-c1c(C)oc2cc(OCC(N)=O)ccc2c1=O 463284 CXOZSYHVOWTQED-UHFFFAOYSA-N 339.347 2.641 0 50 EFAA biogenic O=C(O)c1cccc(CC(=O)N2CC[C@H](Oc3ccccc3)C2)c1 364937772 UMQSKUBYZSQUPK-KRWDZBQOSA-N 325.364 2.607 0 50 EFAA COCc1csc(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)n1 368114884 KDTHEKCHNONOEY-LLVKDONJSA-N 341.824 2.618 0 50 EFAA Cc1ncc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(C)n1 157718708 NYCSICBKXUXGGV-KGLIPLIRSA-N 341.459 2.564 0 50 EFAA CN(C)Cc1ccc(NC(=O)C2(C(=O)O)CCC2)cc1C(F)(F)F 902756466 GMGABYWCNNBTQE-UHFFFAOYSA-N 344.333 2.960 0 50 EFAA C[C@@]1(c2nc(C(F)(F)c3ccc(F)cc3)no2)CCNC(=O)C1 903994874 BEWIZKFWDPOSJB-CQSZACIVSA-N 325.290 2.517 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCCC2CC2)(c2ccccc2)CC1 847528323 CUJYTHILLADDAK-UHFFFAOYSA-N 326.440 2.649 0 50 EFAA CCOC(=O)C1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3 1075929 OKDJMASCRBKVBZ-UHFFFAOYSA-N 328.412 2.781 0 50 EFAA CC[C@@H]1CN[C@H](C(=O)NCc2nccn2CCCc2ccccc2)C1 2325778922 VXJRUNCVSNWBMA-WMZOPIPTSA-N 340.471 2.520 0 50 EFAA Cc1cc2c(N3C[C@H](C)C[C@@H](c4nnc(O)n4C)C3)nccc2o1 2325784357 WWPJUFQJKNAFJH-ZYHUDNBSSA-N 327.388 2.600 0 50 EFAA C[C@H]1CC[C@@H](CN)CN1C(=O)CCc1ncc(-c2ccccc2F)o1 2325786381 HKEGLFUYDUXPAA-KBPBESRZSA-N 345.418 2.999 0 50 EFAA CC(C)N1CCC[C@@H](NC(=O)c2ccc3ncn(C4CC4)c3c2)C1 2325805129 QQJFXLNCVJGUKO-OAHLLOKOSA-N 326.444 2.974 0 50 EFAA CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 249292 HZIIOUPWNIWTOC-UHFFFAOYSA-N 337.397 2.903 0 50 EFAA c1cncc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 383151 IIQSWMOSEIWLSG-CYBMUJFWSA-N 337.364 2.760 0 50 EFAA COC(=O)c1ccccc1NC(=O)Nc1ccccc1C(=O)OC 397589 LTFWYIIOXUJVQT-UHFFFAOYSA-N 328.324 2.904 0 50 EFAA Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccco1 2865809 PYIMIFXXOPXAGS-UHFFFAOYSA-N 343.364 2.779 0 50 EFAA O=C1C[C@H](Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2 2919121 KAOIHYOGDUAANK-INIZCTEOSA-N 337.375 2.576 0 50 EFAA biogenic CN[C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 134006757 CXZYYGXOVSNFSX-CQSZACIVSA-N 333.432 2.697 0 50 EFAA CC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2Cl)c1 4857869 VFZULUUUUCXDAA-UHFFFAOYSA-N 330.771 2.798 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)c1 111862406 BATPJCYEIKNAQA-OAHLLOKOSA-N 347.488 2.854 0 50 EFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)CCN1CCCCO1 55036034 MXHORCIUACPTHQ-UHFFFAOYSA-N 336.823 2.592 0 50 EFAA CCOC(=O)c1cc(NC(=O)c2ccncc2)cc(C(=O)OCC)c1 8769084 SMBCVLSADHAHAF-UHFFFAOYSA-N 342.351 2.687 0 50 EFAA COc1ccc(OCCCN(C)C(=O)Cn2nc(C)c(C)c2C)cc1 55227697 PYZGXQIRAQHREE-UHFFFAOYSA-N 345.443 2.744 0 50 EFAA COc1cc(CN2CCN(c3ccccc3)CC2)cc(OC)c1O 22586436 WTZREYVEPJUCHO-UHFFFAOYSA-N 328.412 2.732 0 50 EFAA CCn1c(C2CCN(Cc3ccc(OC)c(C)c3C)CC2)n[nH]c1=O 67881707 CCZJVYOCHMWTGD-UHFFFAOYSA-N 344.459 2.596 0 50 EFAA O=C(N[C@@H]1CCN2CCC[C@H]2C1)N(C[C@H](O)c1ccccc1)C1CC1 252510811 BWTIUIDOBQQTOO-NEWSRXKRSA-N 343.471 2.521 0 50 EFAA CCn1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)cn1 12597027 NXQGVTNYCIPHIV-FQEVSTJZSA-N 341.455 2.669 0 50 EFAA CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)s[nH]1 329805648 ASLYHODESAVANT-GHMZBOCLSA-N 338.477 2.679 0 50 EFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)C2CCCCC2)n1 72434176 XELAXQKTBSGQJO-UHFFFAOYSA-N 345.491 2.884 0 50 EFAA Cc1cccnc1C[C@H](C)n1ccnc1-c1cc2n(n1)CCCNC2 72454356 NZVVWYZKZUCHGC-HNNXBMFYSA-N 336.443 2.747 0 50 EFAA CN(C)CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1O 72476918 ANQCCXBMEVZGAX-NSHDSACASA-N 345.365 2.752 0 50 EFAA CN1C[C@@H](CNCc2c[nH]nc2-c2cccnc2)Cc2ccccc21 363988634 XWXHEVQAAOPKLH-OAHLLOKOSA-N 333.439 2.870 0 50 EFAA Cc1nccn1C[C@@H]1CCCN1c1nccc2c1C(=O)OC2(C)C 364978498 OZKIUUBOICURMX-ZDUSSCGKSA-N 326.400 2.661 0 50 EFAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 237626648 PXCQDRADUDTTKZ-ZANVPECISA-N 345.226 2.720 0 50 EFAA CCn1nc(CN2CCC3(CC2)CCN(C)C3=O)c2ccccc21 365833255 QHDGHKRRMFYDPA-UHFFFAOYSA-N 326.444 2.501 0 50 EFAA CC1CCN(C[C@@H]2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)C2)CC1 246133165 MXNBSUGJMYJHOK-FGTMMUONSA-N 337.508 2.707 0 50 EFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1nccn1-c1ccccc1 284656046 NNUMFZHKPIWYML-NSHGMRRFSA-N 341.455 2.624 0 50 EFAA Cc1nc2c(c(NCCc3nc4ccccc4s3)n1)CCNCC2 72419061 WKEIWELXCVHFLT-UHFFFAOYSA-N 339.468 2.738 0 50 EFAA CO[C@H]1[C@H](NC(=O)c2ccccc2)c2ccccc2C12CCNCC2 72473696 WIASZJSSHSSDER-MOPGFXCFSA-N 336.435 2.808 0 50 EFAA CC(C)[C@@H]1CN(c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1 71707885 RVLLDSJFLODZSP-KRWDZBQOSA-N 342.418 2.879 0 50 EFAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCC[C@@H]1c1ccccn1 77407552 ZTLPWTKOYQYUNX-GOSISDBHSA-N 345.402 2.930 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ns1 496065217 WRHMXQOKRFRCHQ-JQWIXIFHSA-N 339.461 2.969 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccccc1)c1csc([C@H]2CCCO2)n1 262607953 AQMGBJCFQVCMMV-GXTWGEPZSA-N 346.408 2.593 0 50 EFAA Cc1oc2ccccc2c1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 376947463 HXPCVOMPDOAESO-IBGZPJMESA-N 339.395 2.863 0 50 EFAA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 241124316 JHGNZQLRLKTBEG-HKIZTLLZSA-N 340.467 2.901 0 50 EFAA CN(C)c1cccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 263432913 NXDJXLPGBXHLMY-NJAFHUGGSA-N 344.455 2.930 0 50 EFAA CCOC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)C2CC2)nc1C 13961472 JMRPAWMBIFFHDJ-GFCCVEGCSA-N 338.429 2.550 0 50 EFAA C[C@@]1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCCO1 72457227 WRDHWGMIJRXTPF-SFHVURJKSA-N 345.468 2.904 0 50 EFAA CCOc1ccc(CN2CCC[C@](O)(CO)CC2)c(OCC)c1C 72121809 FXOALILHGXHFDG-LJQANCHMSA-N 337.460 2.502 0 50 EFAA Cc1cc(F)ccc1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 285464716 KNEMMJNABFWDNM-SFHVURJKSA-N 332.423 2.790 0 50 EFAA COc1cc(-c2noc([C@@H](C)Cc3c(C)nn(C)c3C)n2)ccn1 174852142 VBVAUUFZWNFSHO-JTQLQIEISA-N 327.388 2.837 0 50 EFAA CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3nc[nH]n3)c12 176233277 VKRGYXPYASTVNM-SECBINFHSA-N 340.387 2.662 0 50 EFAA C[C@@H](Cn1cncn1)NC(=O)CCc1ccc(-c2cccs2)o1 222632077 RIDDIFLICJXTAB-LBPRGKRZSA-N 330.413 2.737 0 50 EFAA C1CC(CO[C@@H]2COCC[C@H]2NC2CCC3(CCNCC3)CC2)C1 222418036 NYUBRYVITMNPSQ-RTBURBONSA-N 336.520 2.863 0 50 EFAA Cc1cc2c(cc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C)OCCO2 221173205 WQCRVXWDKVCTRO-ZDUSSCGKSA-N 329.400 2.939 0 50 EFAA CSc1ccc([C@H]2[C@H](C(C)=O)[C@](C)(O)CC(=O)[C@H]2C(C)=O)cc1 239328927 JVLMCWYSBJVUFE-ZJPYXAASSA-N 334.437 2.626 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 91412277 QZNSOVKDYFQKDS-AWEZNQCLSA-N 331.391 2.827 0 50 EFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H](C)n3ccnc3C(C)C)CC2)n1 95511426 QGZXPAJEFGWFLZ-MRXNPFEDSA-N 343.475 2.977 0 50 EFAA O=C(NCCCc1ccccc1F)[C@@H]1CCCN(C2CCOCC2)C1 95379705 YANFMLJSGYYLSR-QGZVFWFLSA-N 348.462 2.766 0 50 EFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)Nc1cncc(F)c1 96137741 WIUCHUUMACRZSL-HNNXBMFYSA-N 334.395 2.620 0 50 EFAA CSc1cccc(CN(C)C(=O)c2cnc(N(C)C)nc2C)c1 95378180 GJNYRZNRDCBJEZ-UHFFFAOYSA-N 330.457 2.845 0 50 EFAA CCN1CC2(CCC1=O)CCN(Cc1cn3ccccc3n1)CC2 91663618 ZKNYTAHKGSRJPT-UHFFFAOYSA-N 326.444 2.559 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 239308856 HANGWELBRLMRKY-NQYYFHDYSA-N 331.371 2.642 0 50 EFAA O=C(c1ccncc1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91644750 CLTQKRQTFVQBHF-SFHVURJKSA-N 347.422 2.741 0 50 EFAA CC1CC(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)(c2cccc(Cl)c2)C1 296451907 XBZBYYUZHMRNDS-XOFPWGPXSA-N 334.847 2.791 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC(=O)C(C)(C)C 182456447 VDAAJQOMBYUHOT-SECBINFHSA-N 347.381 2.897 0 50 EFAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCc3c(F)cccc32)cc1 184035780 OWMHKOCGSJJMLO-OAHLLOKOSA-N 344.386 2.587 0 50 EFAA COC[C@@H](NC(=O)N(C)Cc1cccc(SC)c1)c1ccnn1C 534647920 OXJAJTLTMFGIAF-OAHLLOKOSA-N 348.472 2.671 0 50 EFAA COC1CCN(C(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)CC1 534667009 RABWIBYMMGPPDB-CYBMUJFWSA-N 346.406 2.893 0 50 EFAA CCCOc1c(CNC(=O)N(C)Cc2cnn(C)c2)cccc1OC 534651763 GCMUJFIGMMXXJW-UHFFFAOYSA-N 346.431 2.559 0 50 EFAA CC(C)(O)Cn1ncnc1CC1CCN(Cc2ccccc2)CC1 821528993 XPDADVSLESESGD-UHFFFAOYSA-N 328.460 2.504 0 50 EFAA Cc1ccc([C@@H](NC(=O)CCCn2cncn2)c2cccnc2)cc1C 827992153 AWJLGWHKFGJOCU-HXUWFJFHSA-N 349.438 2.976 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)CCCN1CCCC1=O 824751189 PHXQHOJKFKELBB-QGZVFWFLSA-N 330.428 2.591 0 50 EFAA Cc1nn(CCCNC(=O)N(C)CCC[C@@H]2CCCO2)c(C)c1C 584887792 OBNZMZOYTZTZPQ-QGZVFWFLSA-N 336.480 2.799 0 50 EFAA COCC1(CNS(=O)(=O)c2cc(C)cc3cccnc23)CCC1 669675424 MEUPXUVESFEMFE-UHFFFAOYSA-N 334.441 2.638 0 50 EFAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2nnc3ccccn23)c1 584901374 BWXNELNHSGAXIX-INIZCTEOSA-N 336.395 2.647 0 50 EFAA Cc1ccc(S(N)(=O)=O)cc1-c1cnn(-c2ccccc2)c1F 1875316954 KWKGQPUFGDZNSF-UHFFFAOYSA-N 331.372 2.634 0 50 EFAA Cc1ccnc([C@@H](NC(=O)c2ccc(C(=O)O)cc2F)C2CC2)n1 1875270862 QXSOFICNDQXGKX-AWEZNQCLSA-N 329.331 2.503 0 50 EFAA COc1cccc(C)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 952986731 FTUABMUWGUSJSL-ZDUSSCGKSA-N 347.436 2.898 0 50 EFAA COc1ccc(-c2n[nH]cc2CNCc2ccc3nc(O)[nH]c3c2)cc1 952981565 NUORXZVZUJVBKS-UHFFFAOYSA-N 349.394 2.957 0 50 EFAA O=C(Cc1csc(C2CC2)n1)N1CCC(CO)(C(F)(F)F)CC1 885012349 VEXDEZFBBANJKN-UHFFFAOYSA-N 348.390 2.726 0 50 EFAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccc(C3CCC3)cc2)C1 886088024 AKWYKZFEYIDVLG-HXUWFJFHSA-N 340.471 2.652 0 50 EFAA COc1cc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(F)cn1 886080358 NRTKDBIRYRCJFA-FHSNZYRGSA-N 348.422 2.781 0 50 EFAA O=C(Cc1ccc(F)cc1)N1CCCN(CCC(F)(F)F)CC1 989589025 PLNMJVZAZYDABE-UHFFFAOYSA-N 332.341 2.855 0 50 EFAA CC1=CCN(C(=O)N[C@@H]2C[C@]3(CCNC3)Oc3ccccc32)CC1 1336273784 UJJGDTUHPWJFTF-APWZRJJASA-N 327.428 2.604 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)[C@@]12CCCO2 273589788 SCQFYRFRXPTJPC-NTDBWNAOSA-N 345.443 2.655 0 50 EFAA Cc1nc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c2cnn(C)c2n1 170650046 GOJMPCWHFOYICW-JNDILOIQSA-N 343.456 2.607 0 50 EFAA CCc1noc(C)c1C(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074650055 QWIVCGPONSLOIC-WTLGNFPFSA-N 340.423 2.921 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc(C4CC4)o3)cc2)n1 186914494 PUUBXFDHRPQWGL-UHFFFAOYSA-N 337.383 2.680 0 50 EFAA Cc1nc(O)c2c(n1)CN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)C2 636293779 FGRVHFJDWNACFM-HNNXBMFYSA-N 339.395 2.622 0 50 EFAA O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc2sccc2[nH]1 189255557 PYRWDPWSMBYALY-JTQLQIEISA-N 330.388 2.772 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2C)C1 189839686 BTQHOFUBALDMDP-CQSZACIVSA-N 342.361 2.889 0 50 EFAA Cc1ccc2cc(C(=O)N3CCN(C(=O)C4CC4)CC3(C)C)[nH]c2c1 408122680 YVTCLYALJDRYDS-UHFFFAOYSA-N 339.439 2.949 0 50 EFAA CCC(CC)n1ncc(C(=O)NC[C@H](CO)Cc2ccncc2)c1C 408517776 SXNUNCJPQFPLBM-MRXNPFEDSA-N 344.459 2.529 0 50 EFAA Cc1ocnc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225404761 UMOMKBKZXYMRKL-ZWNOBZJWSA-N 340.301 2.950 0 50 EFAA CSC1(CNC(=O)Nc2ccn(CCc3ccncc3)n2)CCC1 193857025 UYAREZNIICSXBG-UHFFFAOYSA-N 345.472 2.928 0 50 EFAA COc1ccccc1CCNC(=O)NCc1nc2ccccc2n1C 194525213 RQTYSNJVPLWVHB-UHFFFAOYSA-N 338.411 2.624 0 50 EFAA O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1CCC1OCCO1 195565963 FACFJIYHIULGGM-HNNXBMFYSA-N 340.370 2.521 0 50 EFAA Cc1cccn2cc(CCNC(=O)c3ccc(NCC4CC4)nc3)nc12 669756303 JYJSAMMKHYDNNB-UHFFFAOYSA-N 349.438 2.832 0 50 EFAA COc1ccc([C@@H](O)CNc2ccnc(N3CCCCC3)n2)cc1 779429917 XTMRNGGUGDRJNR-INIZCTEOSA-N 328.416 2.621 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(c3ccnc4ccccc34)C[C@@H]12 1704324889 GMSPQTGWNSKDAY-MJGOQNOKSA-N 325.412 2.610 0 50 EFAA Cc1c(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)sc2ccc(Cl)cc12 1615750731 YAPIIXBDTRLUPN-QWRGUYRKSA-N 349.836 2.566 0 50 EFAA O=C1CC[C@H](N2CCCN(C(=O)CCC3CCCCC3)CC2)CCN1 1775981065 HRWSDBAPGLWERF-SFHVURJKSA-N 349.519 2.550 0 50 EFAA CN(CCO)[C@@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 12099791 YSXWDJKBTNZVBD-LJQANCHMSA-N 326.440 2.645 0 50 EFAA COC(=O)c1cc2c(=O)n(-c3ccc(F)c(F)c3)ccc2nc1C 12389930 SHSFQXUFRSYRLI-UHFFFAOYSA-N 330.290 2.759 0 50 EFAA Cn1c(SCC(=O)NC2CC2)nnc1-c1cc2ccccc2o1 16650250 HBAMHCSPQBOIBG-UHFFFAOYSA-N 328.397 2.599 0 50 EFAA CN(N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 18004895 AHCVSHLNLRGACR-HNNXBMFYSA-N 329.787 2.613 0 50 EFAA Cn1cc(C(=O)NC2(Cc3ccc(Br)cc3)CC2)cn1 408513985 FFDDXPRCIKSQBR-UHFFFAOYSA-N 334.217 2.688 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)N1CC2(CCOCC2)C1 408523114 PAVYDAAMQYNBFQ-UHFFFAOYSA-N 328.437 2.992 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 110707064 LMAPJRAQJGHAOZ-QWHCGFSZSA-N 340.345 2.546 0 50 EFAA O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc2ccccn2c1 114231537 NGEHXCBXQOLXBB-UHFFFAOYSA-N 347.374 2.841 0 50 EFAA C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CCO)C1 229306979 VLHILJBKUZGORC-STQMWFEESA-N 342.386 2.709 0 50 EFAA O=C(O)CCc1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 124785119 MGZCQCPRPWPWNR-QGZVFWFLSA-N 338.363 2.836 0 50 EFAA CC(C)n1ccnc1CN[C@H]1CCN(C(=O)CCc2ccccc2)C1 657392909 FEQJSEBICFBWNQ-SFHVURJKSA-N 340.471 2.787 0 50 EFAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(c2cc(NCC3CC3)ncn2)C1 340080655 SBNGURXBALKJIT-CZUORRHYSA-N 346.381 2.889 0 50 EFAA Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CC1CC1 456730010 SOZYQHXHFUPNKN-ZDUSSCGKSA-N 340.261 2.825 0 50 EFAA COC(=O)c1cccc(-c2csc(CCN3CCCC3=O)n2)c1 133040690 QRVLSBPQQBVELF-UHFFFAOYSA-N 330.409 2.762 0 50 EFAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 246875669 JTGTYQQXRVWYJQ-JHJVBQTASA-N 329.400 2.604 0 50 EFAA C[C@@H](CNC(=O)Cc1ccc(Br)cc1)Cn1ccnc1 153653497 DHNHVKDQVLMKBO-LBPRGKRZSA-N 336.233 2.641 0 50 EFAA CCC(CC)n1nc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1C 375047772 FJWAZMPJMMABOB-HNNXBMFYSA-N 343.475 2.991 0 50 EFAA O=C(NCc1c(F)ccc2nc[nH]c12)[C@@H]1CCCN1C1CCCC1 913420028 QAIOXBAOMVKYOX-INIZCTEOSA-N 330.407 2.725 0 50 EFAA Cc1cc(C(=O)NC2CCN([C@@H](C)c3ncccn3)CC2)c(C)o1 929490545 NIOIWHRYPZIFPA-ZDUSSCGKSA-N 328.416 2.642 0 50 EFAA Cc1cc(NC(=O)N[C@H](c2cnn(C)c2)C(C)C)cn2ccnc12 931553634 GBRSQAQKSCOYRR-HNNXBMFYSA-N 326.404 2.895 0 50 EFAA COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)cc2)cc1 104853 QHBHFAWXYGGLGG-INIZCTEOSA-N 329.352 2.650 0 50 EFAA biogenic CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)s1 2325700897 SJUMUIZKDHFDOS-MRXNPFEDSA-N 342.464 2.930 0 50 EFAA CC(C)(C)c1cc(S(=O)(=O)Nc2cc3ccccc3nn2)on1 2325801754 UVDAXWBSIDAYGK-UHFFFAOYSA-N 332.385 2.716 0 50 EFAA C[C@H]1CCCc2c(-c3nc(CCCO)nn3[C@@H]3CCSC3)cnn21 2325848256 CJHPOQOBDNSVKC-QWHCGFSZSA-N 347.488 2.642 0 50 EFAA C[C@@H]1C[C@H]1c1nnc2ccc(Oc3ccc4c(=O)cc[nH]c4c3)nn12 2325869194 BUDJNKNWOHYATM-ZWNOBZJWSA-N 333.351 2.882 0 50 EFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(N(C)C)cc2)c2ccccc21 302257 GJVIWWNBXLBCKL-HXUWFJFHSA-N 338.407 2.580 0 50 EFAA CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1 1780082 ZKXLQCIOURANAD-UHFFFAOYSA-N 337.851 2.704 0 50 EFAA in-vitro COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc(C)c1C 4904468 FNDVHCVMFHSSRH-GHMZBOCLSA-N 337.397 2.757 0 50 EFAA CC(C)OCCOC(=O)Cn1c(=O)sc2cccc(Cl)c21 6364753 YRHSXKRNLCMDCE-UHFFFAOYSA-N 329.805 2.685 0 50 EFAA CC[C@H](O)C(=O)OCC(=O)c1cc(C)n(CCc2cccs2)c1C 225842449 VEWTXZGALKVLFF-INIZCTEOSA-N 349.452 2.906 0 50 EFAA Cc1nc(N2CCN(C)CC2)nc(O)c1Cc1cccc2ccccc12 8673146 WIUNFEVZGHNWSS-UHFFFAOYSA-N 348.450 2.986 0 50 EFAA CCn1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1=O 417219387 JDBXSTKESZXCKG-OAHLLOKOSA-N 345.399 2.674 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1cc(F)c(F)cc1F 52537730 QORPZYPFGURMIW-UHFFFAOYSA-N 349.356 2.865 0 50 EFAA CNC(=O)c1cccc(N[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 247981260 XLYWZZQNZUJVNH-KAYRBKQESA-N 343.471 2.788 0 50 EFAA Cc1cc(C)n2nc3c(c2n1)[C@H](c1ccc(N(C)C)cc1)CC(=O)N3 65535773 COYWWINUXLCFNC-HNNXBMFYSA-N 335.411 2.886 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2ccc(NC(C)=O)cc2)C1 67787300 YOMJSSZTFUMESK-UHFFFAOYSA-N 340.379 2.557 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H](CO)CC1CCCCC1 252484545 FYZFZJHHOJLVBL-INIZCTEOSA-N 333.428 2.653 0 50 EFAA CNc1ccc(C(=O)NC[C@@H]2CCN(CCC(F)(F)F)C2)cc1 67783667 MWORUYZEJLEOKC-LBPRGKRZSA-N 329.366 2.732 0 50 EFAA c1ccc(-c2nc(N3CCCN(Cc4cccnc4)CC3)no2)cc1 77379160 HABZTXHYIHUJBW-UHFFFAOYSA-N 335.411 2.844 0 50 EFAA COc1cc2c(N3CCC[C@@H]3[C@H]3COCC[C@H]3O)ccnc2cc1F 359299522 LUWBEWMFBHIAOG-MZMPZRCHSA-N 346.402 2.749 0 50 EFAA CCc1nn(C)c(OC)c1CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 230194956 UDKNOGCEKBBPHG-WOSRLPQWSA-N 334.464 2.711 0 50 EFAA O=C(NCc1cccc(-n2cccn2)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230156350 KVBCPBDGGKFFLP-RCCFBDPRSA-N 340.427 2.629 0 50 EFAA CCS(=O)(=O)CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC 253417428 KCPOPRIAZRSKDK-HOCLYGCPSA-N 325.474 2.903 0 50 EFAA Cc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1OCC(F)F 150853846 ZUCMJZACPNSCDK-CYBMUJFWSA-N 349.399 2.950 0 50 EFAA COc1c(C)cnc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1C 257365295 FNOJVQNTIRWTRG-ZWKOTPCHSA-N 331.460 2.682 0 50 EFAA COCCn1nc(C)c(NC(=O)c2ccnn2C2CCCC2)c1C 361331213 MBEKXNQTGSUQOE-UHFFFAOYSA-N 331.420 2.710 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2ncoc2C)n1 216520370 HEOZRRTZJKKLTN-MRVPVSSYSA-N 330.310 2.573 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccnc(C2CC2)n1 328651132 VWIZNKWSKIDJIS-KBPBESRZSA-N 347.463 2.859 0 50 EFAA c1ccc(CO[C@@H]2COCC[C@H]2Nc2ncnc3ccccc23)nc1 219521838 WUTGZLHDYYXGPN-QZTJIDSGSA-N 336.395 2.811 0 50 EFAA O=C(NCc1ccccc1)N1CCn2c(Cc3ccccc3)nnc2C1 365670910 MRIDUAUOHAECEE-UHFFFAOYSA-N 347.422 2.594 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)CCc2ccc3ccccc3n2)C1 365895631 MYSQWDKPVSULSA-INIZCTEOSA-N 334.423 2.917 0 50 EFAA CC[C@@H]1CN(C)c2ccccc2CN1CC1CCS(=O)(=O)CC1 367215493 HPVNNAFPBVJWBS-QGZVFWFLSA-N 336.501 2.542 0 50 EFAA CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 377191959 VVUXGDZVDWEFLX-HNNXBMFYSA-N 346.471 2.723 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCCNCC1 237720944 FWJHDAMWRTWQBT-UHFFFAOYSA-N 344.889 2.847 0 50 EFAA Cc1cc(F)ccc1C(=O)N1CCN(c2ccccc2C)C(=O)C1 82099894 DKMCIVHBNYIMIT-UHFFFAOYSA-N 326.371 2.932 0 50 EFAA CC(C)c1nccc(N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 341380088 QFFDTIPBMDFISU-CQSZACIVSA-N 328.391 3.347 0 50 EFAA CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C(=O)O)cc1)CC2 263377765 BCVBVZVBCOZXOS-UHFFFAOYSA-N 337.375 2.828 0 50 EFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](CN)C1 178545301 URSYTJJIWJVNSD-QWHCGFSZSA-N 339.277 2.825 0 50 EFAA O=C1CCCN1c1cccc(CNc2ncnc3c2ncn3C2CC2)c1 292520252 VAAXRZQGZLGPJH-UHFFFAOYSA-N 348.410 2.900 0 50 EFAA Cn1c([C@H]2CCCN2C(=O)c2[nH]nc3c2CCC3)nc2ccccc21 226847940 TWNVSGHQKBFDEF-MRXNPFEDSA-N 335.411 2.762 0 50 EFAA Cc1ccc2nc(C(=O)NCc3nc(Cc4ccccc4)no3)cn2c1 91973830 VRKXMLJDIQMBPE-UHFFFAOYSA-N 347.378 2.547 0 50 EFAA CC(=O)c1cnc(N2CCC[C@@H](OCc3cccnc3)C2)nc1C 91575076 HMWKMJTZDNAIKL-MRXNPFEDSA-N 326.400 2.568 0 50 EFAA O=C(NCc1nncn1C1CCCCC1)[C@H]1COc2ccccc2C1 92077315 MHBYLBVQHWQGFM-OAHLLOKOSA-N 340.427 2.651 0 50 EFAA C[C@H](NCc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)C1=CCCCC1 95382760 YNJUUGXUDJDJBZ-LBPRGKRZSA-N 325.412 2.606 0 50 EFAA COc1ccc(-c2ccc(-c3nc([C@H]4CCOC4)no3)c(=O)[nH]2)cc1 96141841 VAKTVOUNKQKJHG-LBPRGKRZSA-N 339.351 2.604 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCCCCN1C 91625539 DBGDDDMGVBCFLH-KRWDZBQOSA-N 328.416 2.569 0 50 EFAA CCc1nc(C)c(C(=O)NCc2noc(Cc3cccs3)n2)s1 97759396 MPGGIJXEARXOAM-UHFFFAOYSA-N 348.453 2.979 0 50 EFAA COCC[C@@]1(CO)CCCN(CCCOc2ccc(F)cc2)C1 92022660 BEVGFJBQGPNJHO-SFHVURJKSA-N 325.424 2.706 0 50 EFAA O=C(N1CCN(Cc2cccnc2)CC1)C(F)(F)c1ccccc1 298717686 JSSWQLDGJUCGRX-UHFFFAOYSA-N 331.366 2.518 0 50 EFAA C[C@@H](NC(=O)CN1CCC(CCn2cccn2)CC1)c1ccccc1 252499400 RZWVGIBKBYKFLW-QGZVFWFLSA-N 340.471 2.863 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1ccccc1CN(C)C)c1ccnn1C 534639145 IUKMUNJHTAZHBH-KRWDZBQOSA-N 343.475 2.774 0 50 EFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC)c2)N1 34792470 AFAUJFNORYVHAJ-QZTJIDSGSA-N 336.391 2.953 0 50 EFAA biogenic CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1c[nH]nc1-c1ccccc1)CC2 299793009 INCPFBVDLVDDEQ-ZIFCJYIRSA-N 327.428 2.581 0 50 EFAA CCCn1nccc1C(=O)NCCN1CC[C@H](c2ccccc2C)C1 299787893 YOHQMTAVJDPEOV-KRWDZBQOSA-N 340.471 2.821 0 50 EFAA CCCc1ncncc1C(=O)NC1CCN(c2ccc(F)cc2)CC1 299784152 SLUGXGVUHMKBDW-UHFFFAOYSA-N 342.418 2.967 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc(-n2cccn2)c1 827811394 JKKXDZQOKUJTAD-KRWDZBQOSA-N 332.363 2.686 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N(C)Cc1cc(-c2ccccn2)no1 584890759 CGOMTOBMVCZFLI-CYBMUJFWSA-N 339.399 2.851 0 50 EFAA COc1ccccc1OC1CN(C(=O)NCc2cc(C(C)C)on2)C1 584896366 UEUCYYYPVDSYFY-UHFFFAOYSA-N 345.399 2.779 0 50 EFAA CCOc1ccc2nc(N3CC(OC)(c4ccnn4C)C3)sc2c1 1875287158 WRQDUUQHHHNREA-UHFFFAOYSA-N 344.440 2.790 0 50 EFAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@]34CCCOC4)cc2)o1 1875271755 RPFRTKKMCZUHEH-GOSISDBHSA-N 327.384 2.830 0 50 EFAA CC1(C(=O)NCCCn2cc(-c3ccc(F)cc3)nn2)CC=CC1 1875323459 JINKMDWIDATRHR-UHFFFAOYSA-N 328.391 2.947 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1 1875360719 HSPQIDPOSURGQZ-JBEBIEQOSA-N 345.420 2.696 0 50 EFAA O=C(COc1ccccc1C(F)(F)F)NC1(CO)CC2(CCC2)C1 1875302247 GYBTVZZAUYAISM-UHFFFAOYSA-N 343.345 2.896 0 50 EFAA CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2cc3ccccc3s2)n[nH]1 1457218427 ODKLMYZUVWRRQI-NEPJUHHUSA-N 342.424 2.530 0 50 EFAA CSCC(=O)N1CCCN(C(=O)c2cc3ccccc3s2)CC1 940172178 DPRUGQFJBOINIO-UHFFFAOYSA-N 348.493 2.939 0 50 EFAA C[C@@H](Cn1cccn1)C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 952977599 UGUUVJFMJIHSPS-LBPRGKRZSA-N 329.429 2.629 0 50 EFAA CCCCS(=O)(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 952982568 ZCMVIUSOFCDHMJ-GOSISDBHSA-N 339.501 2.822 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)CCc2ccccc2)C1 886039594 XKPGBYBDSQGCKZ-PKOBYXMFSA-N 340.423 2.709 0 50 EFAA Cc1noc(C[C@@]2(O)CCCN(CC3CCC(F)(F)CC3)C2)n1 886079730 YLRJAVQPNSXCHH-HNNXBMFYSA-N 329.391 2.573 0 50 EFAA CCn1ncnc1-c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2)cc1 888027061 MWYDPMCWCJJGSW-ZDUSSCGKSA-N 338.333 2.989 0 50 EFAA COCCn1ncc2c1[C@@H](NC(=O)c1[nH]ccc1C1CC1)CCC2 1775986469 QBAMZJLXOYHAHN-HNNXBMFYSA-N 328.416 2.542 0 50 EFAA COCc1noc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)n1 187873387 JPLPIZYNRVRDCJ-ZDUSSCGKSA-N 341.770 2.582 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)CCc3ccnn3C)o2)cs1 170598651 RGUIMZDJEULNGD-UHFFFAOYSA-N 330.413 2.694 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CC[C@H](Oc2cccnc2)C1 170604499 BZIYTCQKNIQTOM-HNNXBMFYSA-N 332.425 2.533 0 50 EFAA CC(C)(C)C(=O)N1CCN(Cc2cn(C(C)(C)C)nn2)C(C)(C)C1 408348142 DZJUFRIEGMYOIZ-UHFFFAOYSA-N 335.496 2.502 0 50 EFAA Cc1ccnc(O)c1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 305872081 OZDIQXOHMSYSAU-JKSUJKDBSA-N 344.386 2.963 0 50 EFAA CC(C)n1nccc1NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 188467739 FTPKPGSBBWKMLK-KBPBESRZSA-N 343.431 2.725 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 188474869 GFWHPRPNNGHOIS-CMPLNLGQSA-N 329.356 2.559 0 50 EFAA C[C@H]1CN(CC2CCN(C(=O)Cc3ccsc3)CC2)C[C@H](C)O1 171226986 PBGADAPARMXEQW-GJZGRUSLSA-N 336.501 2.638 0 50 EFAA COCCCNC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 411445798 NOURCMGUFKSXGI-VIFPVBQESA-N 337.222 2.936 0 50 EFAA COCCOc1ccccc1CNc1ccc2[nH]c(=O)n(C)c2c1 281799144 OVSMXQZNOHAZIZ-UHFFFAOYSA-N 327.384 2.504 0 50 EFAA CC(=O)NC[C@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 639371599 QRPDZIDHLQZGGP-CQSZACIVSA-N 330.350 2.902 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(C)(C)c2nccs2)C1=O 192674959 KGHKYAHCVIYUAZ-GFCCVEGCSA-N 331.441 2.782 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)c2cccc3cc[nH]c23)(C(=O)O)C1(C)C 193039064 KRNBJDDUMKSYKF-SCLBCKFNSA-N 330.384 2.556 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1CNc1nc(O)c2ccccc2n1 664376574 CMSVJINGDPWEOE-SWLSCSKDSA-N 339.399 2.742 0 50 EFAA Cc1nc(N2CCC([C@@H](O)c3cccs3)CC2)c2cnn(C)c2n1 1506406439 IQUCDYOQPQJUHU-OAHLLOKOSA-N 343.456 2.683 0 50 EFAA CC1=C(c2ccccc2)[C@H]1C(=O)Nc1csc2nc(=O)c(C)nn12 1506399826 JMBPNVURBKRUKG-AWEZNQCLSA-N 338.392 2.501 0 50 EFAA O=S1(=O)CC[C@H](Nc2ccnc3c(C(F)(F)F)cccc23)C1 1506421544 IIYYRBNDRUNJKA-VIFPVBQESA-N 330.331 2.853 0 50 EFAA CCOCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1 1529114572 PZMXROTVDOVMAA-UHFFFAOYSA-N 330.413 2.780 0 50 EFAA COc1ccc(CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1O 1704299313 IRCCXYNXSGSXOA-HXUWFJFHSA-N 339.439 2.979 0 50 EFAA Cn1ccc2c(C(=O)N[C@H]3COC[C@@H]3Cc3ccncc3)cccc21 1616081216 RLTVJMYCPVELKW-YJBOKZPZSA-N 335.407 2.561 0 50 EFAA CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)NCc2ccccc2)N1 5061116 ZYQFLWRJFVQXMM-PDGQHHTCSA-N 334.419 2.837 0 50 EFAA CCOc1ccc(CCCC(=O)N2C[C@H]3C[C@H](O)C[C@H]3C2)cc1C 1775978414 NKWREJXQOPHMQW-PIIMJCKOSA-N 331.456 2.946 0 50 EFAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cnnn2)cc1 5034623 UWFCIQWBBPKRRI-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA CN(Cc1cnccn1)c1nncc(-c2cccc(C(F)(F)F)c2)n1 12073459 PIZSXRIIOPRKAL-UHFFFAOYSA-N 346.316 2.984 0 50 EFAA O=C(CCc1ccsc1)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 12072550 QQKNLMUTYUYERT-MRXNPFEDSA-N 346.427 2.737 0 50 EFAA CCOC(=O)CCNC(=O)c1cc(C[C@H](C)c2ccccc2)no1 12098415 WGAPPTYCJUYQQV-ZDUSSCGKSA-N 330.384 2.704 0 50 EFAA CCOC(=O)N1CCC(Nc2nncc(-c3cc(C)oc3C)n2)CC1 12430879 NMHRSLRAPCMQBT-UHFFFAOYSA-N 345.403 2.781 0 50 EFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCCC2)nn1 12441571 XJVNVJMRBLBGAM-UHFFFAOYSA-N 344.463 2.958 0 50 EFAA O=C1CCCN1CCCNC(=S)Nc1ccc(F)c(Cl)c1 13523099 UGERPOYLZLVABK-UHFFFAOYSA-N 329.828 2.778 0 50 EFAA CC[C@@H](C(=O)NC1CCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13712958 URTSFOAVASSMHJ-INIZCTEOSA-N 338.473 2.598 0 50 EFAA O=C(Nc1ccccc1)c1cnc2sc3c(n2c1=O)CCCC3 16647597 USMBHOMACKBZDM-UHFFFAOYSA-N 325.393 2.887 0 50 EFAA O=C(C1CCC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)N1CCCCC1 17987108 KFXPJPSLWPMFSD-BHUNQDJPSA-N 344.455 2.509 0 50 EFAA CCn1ccnc1CN[C@@H]1CCCN(Cc2cccc(OC)c2)C1 19842241 VYAUOXHZZGJHIT-QGZVFWFLSA-N 328.460 2.666 0 50 EFAA c1cnn2c(-c3nc(C4CCCC4)nn3CCc3cnc[nH]3)cnc2c1 1857680284 GBYWSMJOCNOKPL-UHFFFAOYSA-N 348.414 2.611 0 50 EFAA COC(=O)[C@H]1C[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 109569951 KBIKYAZMJILNBL-CVEARBPZSA-N 341.411 2.999 0 50 EFAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(O)CCOC1 225811332 VCMKQUKWOHHOMD-CZUORRHYSA-N 345.361 2.542 0 50 EFAA CN1C[C@H](NC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1=O 333066066 FSCXMFLHGSNJJN-AEGPPILISA-N 335.835 2.506 0 50 EFAA C[C@@H]1C[C@@H]1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 162140908 CJVUMASYPITDPZ-DOMZBBRYSA-N 342.468 2.847 0 50 EFAA O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC[C@H](OC(F)F)C1 801710639 RLGNTICYJUSWDB-WMADIVHISA-N 337.775 2.954 0 50 EFAA CN(C)Cc1ccc(NC(=O)C2(C(=O)O)C(C)(C)C2(C)C)cc1F 901932679 UDNRDSAIHPIBFO-UHFFFAOYSA-N 336.407 2.963 0 50 EFAA O=C(O)c1cccc(Br)c1CN1CCCCC[C@@H]1CO 903934530 OSCBTAQNOWSIIN-LLVKDONJSA-N 342.233 2.884 0 50 EFAA CCn1cc(N(CC(C)C)C(=O)CCNC(=O)OC(C)(C)C)cn1 818027204 VJOSLMJTOUSGMD-UHFFFAOYSA-N 338.452 2.807 0 50 EFAA O=C(O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cscc2C(F)F)C1 926486389 OQDIXKJDKILGLG-SFYZADRCSA-N 339.385 2.607 0 50 EFAA O=C1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 20733332 FFWXTRLNSZZXAB-UHFFFAOYSA-N 335.201 2.595 0 50 EFAA COC[C@@H](C)Oc1ccc(CNCC23CC(CN2C2CC2)C3)cc1 2325775497 ZBIXIDXXGWOVHR-XRTORIHISA-N 330.472 2.817 0 50 EFAA CO[C@@H]1CC[C@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 2325803128 RRNMXYRSADECKQ-FUHWJXTLSA-N 345.439 2.981 0 50 EFAA COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)cc1C 310714 NUPQTBVPSDUYQC-UHFFFAOYSA-N 349.408 2.519 0 50 EFAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC[C@H]2CCCO2)CCCC1 571516 PQWLICSTABIMFW-IAGOWNOFSA-N 342.483 2.958 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O 582721 YYLZXQPQTAJBDM-LBPRGKRZSA-N 344.436 2.796 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(Cl)cc2F)CC[C@@H]1O 2356137083 FGSJXGYCZNVZII-GOEBONIOSA-N 329.799 2.917 0 50 EFAA Cc1nc(-c2ccccc2)c(NC(=O)[C@H]2CCn3nccc3C2)n1C 2356167096 RTXYWQDREIXTJP-HNNXBMFYSA-N 335.411 2.793 0 50 EFAA CSc1ncc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)n1 6697151 ZCJHGJHEDQXOTC-UHFFFAOYSA-N 348.859 2.814 0 50 EFAA COCCCCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 112842256 GPEHCBVDAQOOOQ-OKILXGFUSA-N 328.453 2.659 0 50 EFAA COCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 8723151 KPRYOFBBENOFOY-UHFFFAOYSA-N 331.368 2.981 0 50 EFAA O=C(CCCOCc1ccccc1)NC[C@H]1COc2ccccc2O1 50288894 LUVBSZNNVFRNFQ-KRWDZBQOSA-N 341.407 2.940 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCNC3)cc2)o1 55281442 CFVKRGHOMIZBND-ZDUSSCGKSA-N 327.384 2.778 0 50 EFAA Cc1ccsc1CN(CCN(C)C)C(=O)CCc1cccnc1 55393671 YGJBZZJKQKYQFQ-UHFFFAOYSA-N 331.485 2.975 0 50 EFAA O=c1cc(C2CCC2)ncn1C[C@@H](O)COc1ccccc1Cl 134623064 QBAOLMOQCXMQOC-CYBMUJFWSA-N 334.803 2.604 0 50 EFAA CC(=O)NC[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1 67688599 JFNJONKLVXZUMQ-MRXNPFEDSA-N 328.460 2.965 0 50 EFAA O=S(=O)(Cc1ccccc1)NCCCN1CCc2ccccc21 10113787 XMNOSHLWIBZFSQ-UHFFFAOYSA-N 330.453 2.559 0 50 EFAA CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1 170623971 YTDBMFWFCVYXSR-UHFFFAOYSA-N 336.251 2.926 0 50 EFAA CC(C)Nc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cn1 67559362 GUYJIKSTZZFZNZ-HNNXBMFYSA-N 341.411 2.862 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 348248585 STMTZQLDCKIHCB-RBUKOAKNSA-N 342.414 2.835 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3c(F)c(F)cc(F)c3F)[C@H]2C1 252477630 RORJGJLKTWGPKT-ZHAHWJHGSA-N 347.308 2.652 0 50 EFAA Cc1ccc(C2(O)CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)nc1 67674799 SYSQSMJYEWUCTR-UHFFFAOYSA-N 338.411 2.857 0 50 EFAA CN1CCN(c2ccc(-c3ccc(Br)cc3)nn2)CC1 20737576 WYZHGFCVQSECOB-UHFFFAOYSA-N 333.233 2.658 0 50 EFAA CCOCC[C@@H](O)CN(Cc1ccccc1)C[C@@H](O)c1ccco1 252550133 SAJCFSUEMFGLOG-QZTJIDSGSA-N 333.428 2.603 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cccc3[nH]cnc23)c1 282468458 LFCHAVFBHOFGHC-CXAGYDPISA-N 337.379 2.520 0 50 EFAA C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 119531302 VCPUAYYOKFHAGQ-ZFWWWQNUSA-N 344.386 2.628 0 50 EFAA CCOC(=O)c1csc(C2CCN(c3nc(C)ns3)CC2)n1 253432297 JQAOJKSNFFHEPL-UHFFFAOYSA-N 338.458 2.864 0 50 EFAA Cc1nccn1[C@H](C)C(=O)NCc1cc(-c2ccc(F)cc2)no1 67894968 FJAQVTAOBYARNR-LLVKDONJSA-N 328.347 2.863 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=O)CC(C)(C)CC(=O)O)s1 6708358 QGGHTRITTNANDT-UHFFFAOYSA-N 327.402 2.927 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 363478086 GLPCFLJTMKTLKO-HZPDHXFCSA-N 341.411 2.868 0 50 EFAA C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C[C@@H](C)O2 364034013 NALPUSNPQVHKIZ-FHSNZYRGSA-N 348.447 2.574 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N(C)OCc3ccccc3)cc12 155631916 IUCPFGDHYDGYOQ-UHFFFAOYSA-N 325.372 2.872 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)o1 328612271 OFEAZMKJADFUAH-CQSZACIVSA-N 335.429 2.671 0 50 EFAA Cc1nnc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)n1C1CC1 328648471 UPWRMAJSPUBGPZ-KRWDZBQOSA-N 340.475 2.871 0 50 EFAA O=C(NCC[C@@H]1COc2ccccc2O1)C1(N2CCCC2)CCCC1 216059332 GYDSXSXMODUOTL-MRXNPFEDSA-N 344.455 2.741 0 50 EFAA CCOC(=O)c1nccn1CC1CCN(Cc2ccccc2)CC1 71405744 JAKTZGAXKJGOHE-UHFFFAOYSA-N 327.428 2.972 0 50 EFAA COCC[C@@H]1COCCN1Cc1cc(Cl)c(OC)c(OC)c1 368269736 NFCRVTGJZROTJD-CYBMUJFWSA-N 329.824 2.595 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN([C@H](C)c2nc(C3CC3)no2)C1 368848299 VQEFHGOIUAYYAZ-RISCZKNCSA-N 332.404 2.904 0 50 EFAA O=S(=O)(c1cnc[nH]1)N1CCC[C@H]1[C@H]1CCCc2ccccc21 370109617 FWKNNOMNSKEMBU-HOTGVXAUSA-N 331.441 2.683 0 50 EFAA CNC(=O)c1cc2cc(NC(=O)c3cn(C(C)C)cn3)ccc2[nH]1 337189039 VMRRXHCBIDKYAC-UHFFFAOYSA-N 325.372 2.557 0 50 EFAA O=C(Nc1ccc(OCc2ccncc2)cc1)[C@@H]1CC12CCNCC2 261935116 LWRUFJCEZWCALN-SFHVURJKSA-N 337.423 2.989 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 284914297 TXXBZLALBSHYEI-MAUKXSAKSA-N 327.380 2.701 0 50 EFAA C[C@H](O)c1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2 219355123 HQNRUSLWPZISST-NSHDSACASA-N 349.818 2.724 0 50 EFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1c1c(F)cccc1Cl 240412648 FNOBZFOGMDIPEZ-YTWAJWBKSA-N 325.767 2.952 0 50 EFAA O=C1C[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccc3ccccc32)CN1 131152224 WTHGQACXRCMNMX-AEFFLSMTSA-N 339.439 2.549 0 50 EFAA CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C 240897334 ISGBMLRQLLQRPX-UGSOOPFHSA-N 332.400 2.609 0 50 EFAA Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@@H]1C(=O)O 237652870 LKEZCVJBNDNFQB-OAHLLOKOSA-N 333.819 2.942 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 238051286 KPXNCNDUEZSQQS-JCYILVPMSA-N 331.412 2.663 0 50 EFAA Nc1ncccc1CN1CCC(Cc2cccc(C(=O)O)c2)CC1 72151960 OYSRTHFQBVNIFL-UHFFFAOYSA-N 325.412 2.817 0 50 EFAA CC[C@](NC(=O)c1cnn(C(C)C)c1C)(C(=O)O)c1ccccc1 263275514 QJJYFSDVPXIRMG-GOSISDBHSA-N 329.400 2.892 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N3CC(N4CCCC[C@@H]4C)C3)n2c1 215714499 VJGRTIXUIIMFAS-AWEZNQCLSA-N 326.444 2.650 0 50 EFAA OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2cnc[nH]2)CC1 72151785 KARJNXZDHFEVLA-UHFFFAOYSA-N 325.334 2.912 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2C[C@H]2CC(C)C)cc1 458001778 IRUZMHGWYRDJKD-KBAYOESNSA-N 344.455 2.851 0 50 EFAA CC(C)Oc1cc(CN(C(=O)Cn2cc(Cl)cn2)C2CC2)ccn1 287671845 KTMFZJVCKKPXHP-UHFFFAOYSA-N 348.834 2.910 0 50 EFAA Cn1c(SCCOCc2ccccc2)nnc1[C@H]1CCCNC1 426523558 QENOSADKOLYFAT-HNNXBMFYSA-N 332.473 2.591 0 50 EFAA CCCCN1Cc2ccc(NS(=O)(=O)c3ccnn3CC)cc2C1 290997866 UTLRBNDTLYFKTA-UHFFFAOYSA-N 348.472 2.820 0 50 EFAA Cc1ccc(CCNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)o1 426428362 YJIRNSKQDLXZSA-HNNXBMFYSA-N 347.459 2.563 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCCCn1ncc2ccccc21 82115551 IKUQGTJIPADMSM-UHFFFAOYSA-N 339.443 2.526 0 50 EFAA O=C1OCC2(CCN(C(=O)N[C@@H]3CCCc4ccccc43)CC2)O1 426501921 SYDHRGGKXMPFPS-OAHLLOKOSA-N 330.384 2.775 0 50 EFAA Fc1ccc(N2CN(Cc3cccnc3)CNC2=S)cc1Cl 20190149 HOWVPNXODGARJQ-UHFFFAOYSA-N 336.823 2.986 0 50 EFAA CCCN1CCC(CC(=O)N2CC(Oc3ccc(F)cc3)C2)CC1 95508367 SEFIDRUHDYMGIK-UHFFFAOYSA-N 334.435 2.927 0 50 EFAA Cc1c(Cl)cncc1NC(=O)N1CCCN(C(=O)C(C)C)CC1 297161858 SPLAIZWALPYRND-UHFFFAOYSA-N 338.839 2.766 0 50 EFAA COc1ccc2oc(CNC(=O)c3cc(CC(C)C)no3)nc2c1 91706402 PKPZBECWXMNQOC-UHFFFAOYSA-N 329.356 2.953 0 50 EFAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 239174100 PGUXJARDDYFEFY-XJKCOSOUSA-N 336.457 2.844 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 91493353 TZHBJDXCLIQQKT-OAHLLOKOSA-N 337.427 2.857 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cs1 91519288 OYAKJSSLHOUTDO-GOEBONIOSA-N 332.469 2.920 0 50 EFAA O=C(c1ccoc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95362921 MISADAGYOTZBQP-IPMKNSEASA-N 338.407 2.688 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2 95392116 HLPQYXCAQKCPOP-UKRRQHHQSA-N 343.393 2.956 0 50 EFAA c1cnn(Cc2nnc(C3CCN(C4CCCC4)CC3)n2C2CC2)c1 91966247 ULMRYZNYPYEYFH-UHFFFAOYSA-N 340.475 2.980 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCCc1nc2c(s1)CCCC2 95355482 HDBAAMROJYMRBB-AWEZNQCLSA-N 335.517 2.945 0 50 EFAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)C[C@H]1CCCC[C@@H]1O 183405890 SHZGUQXTIVVTGS-OLZOCXBDSA-N 346.456 2.532 0 50 EFAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@H]1CC[C@@H](O)CC1 244900112 ZWGJHUPKYBILGX-BPQIPLTHSA-N 328.387 2.977 0 50 EFAA O=C(NCc1ccccn1)C1CCN(CCCc2ccco2)CC1 244678635 IHKJGBWNYNUSRH-UHFFFAOYSA-N 327.428 2.636 0 50 EFAA CC(C)c1nc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 183519492 DUQXGSLTKJMYLF-AWEZNQCLSA-N 334.807 2.520 0 50 EFAA COc1ccccc1CN(C(=O)[C@@H]1CNC[C@H]1C(F)(F)F)C1CC1 299741614 GWOKXDWJCJWICC-ZIAGYGMSSA-N 342.361 2.584 0 50 EFAA Cc1cnn([C@H](C)C(=O)N(C)CCc2nc3cc(Cl)ccc3[nH]2)c1 299779767 INZMUOJJOKEFTE-GFCCVEGCSA-N 345.834 2.983 0 50 EFAA C[C@H](C(=O)NCCc1nc2c(s1)CCC2)n1cnc2ccccc21 299793286 IIJWYSFVNGIJRV-GFCCVEGCSA-N 340.452 2.901 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3cc(-c4ccc(C)s4)n[nH]3)C2)n1 299797101 PNEQNZWSAVQFMN-LLVKDONJSA-N 343.412 2.768 0 50 EFAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](c2ncc[nH]2)C1 670447512 RSMHAAHTZOBUAD-LLVKDONJSA-N 325.338 2.907 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 685940259 ATUPWBSVDKCLGX-IVZWLZJFSA-N 344.230 2.690 0 50 EFAA O=C(NCCCn1cccn1)c1ccc2[nH]c(-c3ccco3)nc2c1 1875370463 PQHBTOBBGGQRLG-UHFFFAOYSA-N 335.367 2.840 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](OC(F)F)C2)cc1 1875373918 UNLFSCPPVIRHNQ-AWEZNQCLSA-N 338.354 2.679 0 50 EFAA Cn1nc(C(=O)N2CC[C@@H](C3(C(=O)O)CC3)c3ccccc32)cc1F 1875334603 WVSCDPSVICWNSH-GFCCVEGCSA-N 343.358 2.558 0 50 EFAA Cc1ncnc2c1CN(C(=O)c1c[nH]nc1C1CCCCC1)CC2 1875320924 NPAFAVODMLAOBM-UHFFFAOYSA-N 325.416 2.754 0 50 EFAA COC(=O)c1cc(Br)oc1CN(C)CC1=CCCOC1 952993357 YBBCQDGZKFZLDV-UHFFFAOYSA-N 344.205 2.607 0 50 EFAA CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1cc(C2CC2)nn1C 1875272341 UMWYULGFLYNQDQ-UHFFFAOYSA-N 349.456 2.854 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)N1 1875264850 HUALYVAQYXIARX-CYBMUJFWSA-N 347.321 2.759 0 50 EFAA CC(=O)N1CCC[C@@H]1c1noc([C@H](C)Oc2ccc(Cl)nc2)n1 1875269522 VDJWLBPKLVBPFK-JOYOIKCWSA-N 336.779 2.941 0 50 EFAA O=S(=O)(NCc1ccc(-n2ccnc2)c(F)c1)C1[C@@H]2CCCC[C@@H]12 1875289674 IHBDLELJBNHWRG-ZIAGYGMSSA-N 349.431 2.619 0 50 EFAA COc1ccccc1-c1noc([C@H]2OCC[C@H]2Cn2ccnc2)n1 886082264 QVVPTWSFHDEQHF-WFASDCNBSA-N 326.356 2.720 0 50 EFAA CN(CCOc1ccccc1F)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886044942 OFDHDSCAVDJGPY-CXAGYDPISA-N 347.390 2.554 0 50 EFAA CN1C(=O)C[C@@H](CNCc2cccc3[nH]ccc23)[C@@H]1c1ccncc1 886051540 VZLNHODUJFQDBF-JXFKEZNVSA-N 334.423 2.872 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)c2ccoc2Cl)CC[C@H]1C(F)(F)F 886035024 PRZNGDOONULESW-WPRPVWTQSA-N 338.713 2.605 0 50 EFAA O=C(CCc1ccccc1F)N1CCCN(C[C@@H]2CCCCO2)CC1 989648532 PSQVYFBRHTXFJQ-SFHVURJKSA-N 348.462 2.862 0 50 EFAA Cc1ocnc1CN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 1775998932 KVHXYNQPHSDONK-TZMCWYRMSA-N 333.457 2.881 0 50 EFAA Cc1ncc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)s1 186435717 STGCVZWYBODMGJ-UHFFFAOYSA-N 338.379 2.854 0 50 EFAA c1cc(CN2CCCC[C@H]2c2cn[nH]c2)ccc1CN1CCOCC1 408521868 VURPUIPDQRUDAL-FQEVSTJZSA-N 340.471 2.969 0 50 EFAA O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@@H](O)c1ccccc1F 755472370 HUZBYVQYGQLAKT-MRXNPFEDSA-N 349.789 2.806 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C(C)(C)C 190710662 AHKWQZTYBSYAFX-RDJZCZTQSA-N 332.492 2.980 0 50 EFAA Cc1nc2c(s1)[C@@H](N(C)Cc1nnnn1CC(F)(F)F)CCC2 190989085 WXDOQOGGNNJFIS-JTQLQIEISA-N 346.382 2.510 0 50 EFAA CC[C@@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@H]1O 271382396 RRUSYAHZCBRKKC-YGRLFVJLSA-N 341.242 2.777 0 50 EFAA Cn1nnc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 193076266 CFECWXKQKURWIT-UHFFFAOYSA-N 349.423 2.750 0 50 EFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)N(C)C)cn1 280043685 OCMVBAQYYHCGEH-HIFRSBDPSA-N 333.432 2.707 0 50 EFAA CSc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)o1 171794053 QYNUGADSKICSRX-UHFFFAOYSA-N 345.424 2.953 0 50 EFAA C[C@H]1CN(CCOc2cccc(C(=O)O)c2)C[C@](C)(C(F)F)O1 663316944 JFBXZYNKRZAYOU-MEDUHNTESA-N 329.343 2.508 0 50 EFAA Cc1ccc(NC(C)(C)C(=O)NCCCn2nc(C)nc2C)cc1 1506412463 YTLLWRNAMRNACL-UHFFFAOYSA-N 329.448 2.600 0 50 EFAA Cc1cc(=N[C@@H]2CCS(=O)(=O)C2)c2cc(C(F)(F)F)ccc2[nH]1 1529113580 GJPUMXBPARDXLZ-LLVKDONJSA-N 344.358 2.583 0 50 EFAA CC(=O)N[C@H]1CN(Cc2nc3ccccc3[nH]2)C[C@@H]1c1ccc(C)cc1 222472507 SQTMSPWPXHJVFS-XLIONFOSSA-N 348.450 2.975 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 465310 RQPGDGVREDWZAM-UHFFFAOYSA-N 340.379 2.940 0 50 EFAA CC(=O)NCCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11821637 ACTAPXCJEANMNO-GOSISDBHSA-N 331.460 2.739 0 50 EFAA Cc1nc(CN2CCC(n3nccc3NC(=O)CC(C)C)CC2)c[nH]1 12305830 PAPPSVJAZTWABJ-UHFFFAOYSA-N 344.463 2.736 0 50 EFAA CCC(CC)C(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 14992902 DSLVLFWZCLPLMQ-INIZCTEOSA-N 325.412 3.000 0 50 EFAA Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2 19565134 MKYSVZYVSCYGPR-UHFFFAOYSA-N 336.439 2.626 0 50 EFAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 169751683 IBJAGVWUWJELRF-AWEZNQCLSA-N 338.411 2.777 0 50 EFAA O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCc2ccccc2C1 6759577 JGTACXXHTVEJLZ-UHFFFAOYSA-N 342.782 2.833 0 50 EFAA CC[C@@H](Oc1ccccc1OC)C(=O)N1CC(=O)Nc2ccccc21 4986396 SUALTDUQAJJQMA-OAHLLOKOSA-N 340.379 2.838 0 50 EFAA Cn1ccc2cc(-c3nccn3CC3(CO)CCOCC3)ccc21 1857740833 OOZFOEMXBCZLQO-UHFFFAOYSA-N 325.412 2.831 0 50 EFAA O=C1C[C@H](c2ccc(-c3c[nH]c(C(=O)N4CCCCC4)c3)cc2)CN1 1875249481 VRWVBBKPSGNQFR-KRWDZBQOSA-N 337.423 2.911 0 50 EFAA CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1C)C(C)(C)c1ccccc1 119256639 ANDPLTZGCQMPTN-OAHLLOKOSA-N 342.443 2.540 0 50 EFAA COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]43 229888091 JSLDLCGKZDUQSH-QWWOSCSFSA-N 336.435 2.562 0 50 EFAA biogenic Cc1noc([C@@H](C)N2CCN(c3nc(C4CCCC4)ns3)CC2)n1 333758867 CHICEHREGRTUMK-LLVKDONJSA-N 348.476 2.770 0 50 EFAA CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)O)n(C)c1 252494877 OHGWNIPGDZDTRW-UHFFFAOYSA-N 342.804 2.592 0 50 EFAA COCc1nc(C)cc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1 376261055 WDRUGVYUHGHBFA-SJORKVTESA-N 327.428 2.534 0 50 EFAA C[C@H](c1ccccc1)N1CCC(NC(=O)C2(C(=O)O)CCCC2)CC1 911351326 AWCYYBAWRNFUHS-OAHLLOKOSA-N 344.455 2.973 0 50 EFAA Cc1nnc(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)s1 4625788 FGPUXDHYIMEMPD-UHFFFAOYSA-N 325.463 2.807 0 50 EFAA C[C@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 137526067 YOMHJOZBENFTEE-HIFRSBDPSA-N 347.411 2.944 0 50 EFAA COc1cc(OC)c(CN2CCCC[C@@H]2CO)cc1Br 211175 OHYAVBVYCAPWGB-GFCCVEGCSA-N 344.249 2.813 0 50 EFAA Cc1n[nH]c(=Nc2cccc(N3CCN(C)C3=O)c2)c2ccccc12 2356153987 CSRWLMYKNVROBU-UHFFFAOYSA-N 333.395 2.976 0 50 EFAA CCc1ccc(N2C[C@@H](c3nnc(NC(C)=O)s3)CC2=O)cc1 9198192 DRWJIIYWUIMPCB-LBPRGKRZSA-N 330.413 2.579 0 50 EFAA CCCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccco1 55072422 UNVZCEOEKNTIBT-UHFFFAOYSA-N 336.457 2.990 0 50 EFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]21 104327885 HANGWELBRLMRKY-JCHJZTRSSA-N 331.371 2.642 0 50 EFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(F)(F)F)CC1 10010424 DNUPAKFNUCOZBE-UHFFFAOYSA-N 349.740 2.509 0 50 EFAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)c1csnn1 55245379 UWHAGWOOCADYEX-UHFFFAOYSA-N 333.804 2.997 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F 249507337 YTHGPEYGYJCQAC-HOCLYGCPSA-N 330.394 2.896 0 50 EFAA COc1ccc(CN2CCN(CC3CC3)C[C@@H]2CCO)c(C)c1C 20908881 CCYGGZAWASCWBM-IBGZPJMESA-N 332.488 2.591 0 50 EFAA C[C@H](NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1)c1nncn1C 230201146 OFFYQCVZHVKPCR-QOKNQOGYSA-N 339.443 2.987 0 50 EFAA CN(C[C@@H]1CCCO1)C(=O)c1coc(COc2cccc(F)c2)n1 67490814 JKWMXOBPQXGTHO-AWEZNQCLSA-N 334.347 2.644 0 50 EFAA NC(=O)CSc1ccc(-c2cccc(CN3CCOCC3)c2)cc1 67834382 YCUULSVXJMPGHM-UHFFFAOYSA-N 342.464 2.763 0 50 EFAA COc1cccc(C(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1OC 327154997 OTQPQCYETQHHJW-LBPRGKRZSA-N 341.363 2.923 0 50 EFAA CN(CCS(=O)(=O)c1ccccc1)[C@@H](c1ccccn1)C1CC1 1506410844 GDJFFUINAVEITH-GOSISDBHSA-N 330.453 2.938 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H](C)c2ccsc2)o1 328615466 YNTYFOJCISGMKE-AAEUAGOBSA-N 335.429 2.958 0 50 EFAA CCCN(CCC)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)NC)cc1 65410282 ZHKNCMXFFLCQTI-UHFFFAOYSA-N 347.503 2.905 0 50 EFAA Cc1cnc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccco3)C2)cn1 67967498 ASOOJGBPVHQMRD-GIZXNFQBSA-N 340.427 2.533 0 50 EFAA CCc1nnc(CN2C[C@@H](COc3ccccc3)OC(C)(C)C2)o1 284504141 INCDDTBXTFSNFA-HNNXBMFYSA-N 331.416 2.690 0 50 EFAA O=C(O)C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 249146 PKPITNALFNRYTK-VXGBXAGGSA-N 331.290 2.914 0 50 EFAA CCN(CC)C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2780776 IDYWNHWQGPSBCW-NSHDSACASA-N 346.397 2.626 0 50 EFAA Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@H](C)n3ccnc3)c12 72474798 PIUINUCFNZNSNW-LBPRGKRZSA-N 348.414 2.603 0 50 EFAA CC(=O)N1CCc2cc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)ccc21 127686603 QTLJJQWLEBDLMM-GOSISDBHSA-N 340.354 2.677 0 50 EFAA O=C(NCc1nnc(S)n1C1CC1)[C@H](c1ccccc1)C1CC1 152613770 HUBTTWSVUBTCTQ-OAHLLOKOSA-N 328.441 2.712 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)NCc2cccc(OC)n2)o1 152623511 RLGBMUIVBAUXSB-HNNXBMFYSA-N 345.399 2.529 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C2CC2)no1 257365555 OWNKOCYLOXODEK-DIOULYMOSA-N 345.447 2.726 0 50 EFAA CCNC(=O)CNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 363464736 GHFGPJUQCGSEMT-CYBMUJFWSA-N 343.349 2.688 0 50 EFAA O=C(NCc1cccnc1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 361735342 VLTNNOLHVPRJLQ-QGZVFWFLSA-N 332.407 2.824 0 50 EFAA Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 154554622 BKQBNKAYJFEPGE-OKILXGFUSA-N 326.400 2.651 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C 366033619 NXZXPPUIVCTPSS-INIZCTEOSA-N 336.395 2.960 0 50 EFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCOC[C@H](CO)C1 77505782 BBBWMNSLLXYRRD-KRWDZBQOSA-N 339.435 2.676 0 50 EFAA C[C@H]1CCCCN1[C@H](C)CNC(=O)/C=C/c1ccc2c(c1)OCO2 342089330 JJJARMKQMCPYOB-LPXAQJHASA-N 330.428 2.808 0 50 EFAA Cn1cc(N2CCC[C@H](NCc3cccc4c3OC(C)(C)C4)C2)cn1 174518395 ZVZCSSGJWZPGOY-KRWDZBQOSA-N 340.471 2.892 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)c1ccc(CCC(C)(C)O)cc1 72448118 YQWFECZBIVIQFP-CQSZACIVSA-N 327.428 2.541 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)N(C)CCc1scnc1C)C2 72447710 RGHVYIUYFMKZRB-AWEZNQCLSA-N 346.452 2.712 0 50 EFAA COc1ccc2cc([C@@H]3CN(S(=O)(=O)C4CC4)CCO3)ccc2c1 71777027 NNMBTJHROAVIRW-SFHVURJKSA-N 347.436 2.714 0 50 EFAA COc1ccc(Cn2ccc(NC(=O)N3CCCSCC3)n2)cc1 240551463 GUBCEYDDSAIRNL-UHFFFAOYSA-N 346.456 2.911 0 50 EFAA c1cnn(C[C@@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)CCCO2)c1 216171822 RYCKNDBUJJAZKK-AWEZNQCLSA-N 343.456 2.626 0 50 EFAA O=C(c1nc(N2CCCC2)ncc1Cl)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 240626776 HJCJEOXGPIPLKS-ASHKBJFXSA-N 332.835 2.601 0 50 EFAA Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 72166849 MRFVFBCUKQTXAO-MRXNPFEDSA-N 333.457 2.596 0 50 EFAA Cn1nccc1C1=CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 375826239 SRSJCBOVROWMJJ-IBGZPJMESA-N 337.423 2.740 0 50 EFAA Cc1cc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c(Cl)cc1F 455873086 LUAXMWJAGUUWRS-LBPRGKRZSA-N 343.782 2.645 0 50 EFAA O=C1NCCCN(Cc2cc(F)cc(F)c2)[C@H]1Cc1ccccc1 339401045 TYGQDXJAZNYGIJ-SFHVURJKSA-N 330.378 2.898 0 50 EFAA O=C(NCCOc1ccc(F)cc1)c1ccc(Cn2ccnc2)cc1 44442531 DNLADBQBQYNHDX-UHFFFAOYSA-N 339.370 2.879 0 50 EFAA CCn1c(CNC(=O)c2cccc3c2OCCO3)nc2ccccc21 221311729 UJRYVEYRBNKQGN-UHFFFAOYSA-N 337.379 2.757 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)[C@@H](CN(C)C)c2ccccc2)n(C)n1 82156299 WRHOCHNGYKVABN-IBGZPJMESA-N 342.487 2.994 0 50 EFAA CN(CCCc1nccn1C)C(=O)c1cccc(-c2ncccc2N)c1 426512361 XLHZVKLXEAHKDH-UHFFFAOYSA-N 349.438 2.769 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 97572332 DATPIOPVYZQCLY-AWEZNQCLSA-N 334.441 2.598 0 50 EFAA C[C@H](NC[C@H](O)CN1CCCC1=O)c1cc(F)c(Cl)cc1Cl 180441772 FXUGZKGIRIGJPS-UWVGGRQHSA-N 349.233 2.766 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2ccc(CCN)cc2)C[C@H]1C(=O)O 91650398 JQFOEVRGPIRLNA-VQTJNVASSA-N 338.451 2.796 0 50 EFAA Cc1ccsc1CCNC(=O)[C@H](c1cccnc1)N1CCCC1 95386261 GLWLVJQJTBCBJY-KRWDZBQOSA-N 329.469 2.947 0 50 EFAA CC(C)(C)NC[C@@H](O)COc1ccc(Cl)c2c1CCCC2=O 96028010 MQNLHUKWWDPPEJ-LLVKDONJSA-N 325.836 2.987 0 50 EFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@@]2(CCOC2)C1 95360461 MODXYPNKXCQNJU-MRXNPFEDSA-N 337.782 2.770 0 50 EFAA Cc1nc(-c2ccccc2C(F)(F)F)n([C@H]2CCS(=O)(=O)C2)n1 91616359 XQVDWZORQYILTM-JTQLQIEISA-N 345.346 2.632 0 50 EFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(O)c(Cl)c1)C2 91951760 RSDIHILGNPDXIG-QWHCGFSZSA-N 336.819 2.519 0 50 EFAA O=C(N1CCCC1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91951448 UZTGQRDDMNZPPW-KRWDZBQOSA-N 339.443 2.722 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(OC)c(C)c2)C1 91493886 FGYVLQYDZCBWRZ-LJQANCHMSA-N 349.427 2.737 0 50 EFAA COC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 97757221 JHKAOSQDHNSCGQ-QGZVFWFLSA-N 325.364 2.923 0 50 EFAA CC[C@@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1nc(C)c[nH]1 96141550 BAQNEOLRONCXCS-CYBMUJFWSA-N 345.403 2.958 0 50 EFAA CC(C)(C)c1csc(NC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)n1 244874528 XCXRCRHMTLPSNM-GFCCVEGCSA-N 347.488 2.982 0 50 EFAA C[C@H](NC(=O)Cc1noc2ccccc12)c1nncn1C1CCCC1 252510262 ZFSMOYOAJZISAJ-LBPRGKRZSA-N 339.399 2.954 0 50 EFAA C[C@H]1CCCCN1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 252492026 MBCXCHRDDHVCHW-ZDUSSCGKSA-N 337.414 2.852 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 299740604 ALUJYPDHJQRNMM-ZACQAIPSSA-N 331.412 2.786 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1CCC(=O)Nc1nccs1 252488589 IVCPDBYIJHDXSZ-OAHLLOKOSA-N 347.488 2.921 0 50 EFAA c1ncc(-c2nc(-c3ccsc3)no2)c(NC[C@H]2CCCO2)n1 263618285 SBTMHUDHHJDIIM-LLVKDONJSA-N 329.385 2.846 0 50 EFAA COCCN(Cc1ccsc1)C(=O)NCc1nccn1C(C)C 534577725 JVLWDGNTLBZZMR-UHFFFAOYSA-N 336.461 2.884 0 50 EFAA O=C(NCCCn1ccnc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299798307 SCQGUQVTVYGQOP-OTWHNJEPSA-N 338.455 2.615 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@H](C)n2cncn2)c1 822289243 FTTFHVUFVDQMTA-ZDUSSCGKSA-N 341.415 2.915 0 50 EFAA COc1ccccc1CN1C[C@@H](c2n[nH]c(-c3ccccc3)n2)CC1=O 824819776 WUGPHCGYNJVLPB-INIZCTEOSA-N 348.406 2.996 0 50 EFAA COc1cccc([C@H](C)NC(=O)N2CCN(C(=O)CC(C)C)CC2)c1 670470275 GOZOMKXGCCLSGG-HNNXBMFYSA-N 347.459 2.656 0 50 EFAA CCCOc1cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)ccc1OC 271190642 LNFGPRHVNIKKBR-OKHZJLECSA-N 325.474 2.825 0 50 EFAA Brc1ccc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)o1 952894532 NPHNZNRUDAQVDP-ZCFIWIBFSA-N 336.149 2.678 0 50 EFAA CN(Cc1ccc(NC(=O)c2ccc3c(=N)[nH]cnc3c2)cc1)C1CC1 1875268022 RSOIYINFVWRINF-UHFFFAOYSA-N 347.422 2.889 0 50 EFAA CO[C@@H](COc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCCOC1 1875281011 KVXSLTJUEVCAMI-QAPCUYQASA-N 334.391 2.891 0 50 EFAA C[S@@](=O)(=NC(=O)[C@H]1Cc2ccccc2S1)c1ccc(N)cc1 1875281396 RXVBOYOCLVUQQF-QRQCRPRQSA-N 332.450 2.969 0 50 EFAA C[C@@H](CS(=O)(=O)N(C)C)Nc1cccc(-c2nccs2)c1 1875285157 DUNROARYPHFJIW-NSHDSACASA-N 325.459 2.502 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cnccn34)cc2)n1 1875323157 ZQDAYTSWHLSENR-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA C=CC(=O)Nc1cccc([C@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1 1875387874 BQEIRXFHVIPPJO-KRWDZBQOSA-N 334.372 2.636 0 50 EFAA COc1cccc([C@H](CC(=O)O)NC(=O)CCc2cnc(C)s2)c1 1875334674 YMLVWGBFUWJTCS-HNNXBMFYSA-N 348.424 2.725 0 50 EFAA CO[C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1cccs1 1875362663 OMTKKCZBHDKZGZ-JKSUJKDBSA-N 337.466 2.870 0 50 EFAA C[C@@H]1c2cnccc2CCN1C(=O)c1ncn2c1COc1ccccc1-2 1875318179 JOUHOEYTNORTNL-CYBMUJFWSA-N 346.390 2.919 0 50 EFAA C=CC(=O)N(Cc1ccccc1N(C)C)C[C@@H](C)Cn1ccnc1 1875374130 BMUVQIYVFMBJGJ-INIZCTEOSA-N 326.444 2.800 0 50 EFAA Cc1cc(-c2nc(C(=O)N3CCOC[C@@H]3CC3CC3)co2)ccn1 886471880 XTAMZUGPMAFATQ-HNNXBMFYSA-N 327.384 2.686 0 50 EFAA CN(Cc1c(F)cccc1F)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886078230 PYXUUEMOBSYTGQ-WBMJQRKESA-N 335.354 2.814 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccco1)N1Cc2cccnc2N2CCC[C@@H]2C1 895395807 NINYKIGRSNRTPD-BZUAXINKSA-N 338.411 2.725 0 50 EFAA CSc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1OCC=C(C)C 1565516732 ZYWAYTGZQIUURU-GJZGRUSLSA-N 336.457 2.674 0 50 EFAA O=C1C[C@@H](N[C@H](c2ccccc2)c2ccccn2)CN1CC(F)(F)F 170070222 ZLVGHMWPRTUVSA-RHSMWYFYSA-N 349.356 2.924 0 50 EFAA Cc1cc(NC(=O)CN(C)c2ncnc3sc(C)c(C)c23)no1 170619772 YZUCBPMJIOQISH-UHFFFAOYSA-N 331.401 2.679 0 50 EFAA Cc1nonc1COC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O 170645819 YPTXACDZVBXDKL-HNNXBMFYSA-N 343.383 2.598 0 50 EFAA O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCc2ccccc21 170800517 FIHNIDJYFCODIL-HXUWFJFHSA-N 336.435 2.774 0 50 EFAA C[C@@H](Oc1cccnc1)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 187242677 GKHRFKVOXNITRK-GFCCVEGCSA-N 337.383 2.798 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)cn3)[C@H]2C1 407994082 ZYAYZRQOXHIYDM-KWCYVHTRSA-N 344.333 2.509 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 1506406805 OVQVYAXYWWNNOO-OAHLLOKOSA-N 341.411 2.741 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cccnc2)c(Cl)c1Cl 616929 UFXYKPSSGKXZCK-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCN1CCCCC1=O)C2 1704340761 UANPPZYITHKJCR-VQIMIIECSA-N 336.476 2.587 0 50 EFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCSC1=O 463092 FUBUTIUKVPKMEL-GMSGAONNSA-N 334.224 2.909 0 50 EFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1cc2cccc(Cl)c2n1C 1772703986 FQBWPUFODJBBIO-DGCLKSJQSA-N 345.830 2.667 0 50 EFAA Cc1noc(C)c1C(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 1772810496 ITYPHAHAHUOIEL-UHFFFAOYSA-N 342.399 2.671 0 50 EFAA COc1cccc(OCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1 1775980610 FGDUOJSHJFIQME-INIZCTEOSA-N 334.460 2.653 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1ccncc1 11821546 CBXKMQBLDFUARP-IBGZPJMESA-N 347.422 2.870 0 50 EFAA CC(C)OCCCNC(=O)CCc1nnc(CCc2ccccc2)o1 11874041 QGVWZSVZIDDVDS-UHFFFAOYSA-N 345.443 2.719 0 50 EFAA Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1 16648573 KHISLRNPUOOIOR-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA CCc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 19537600 YKVWVMYXYVXVLF-FQEVSTJZSA-N 340.467 2.811 0 50 EFAA NC(=O)CCCn1cc(-n2ccnc2-c2ccnc3ccccc23)cn1 1857702688 HDGIAWPCLCYDGN-UHFFFAOYSA-N 346.394 2.550 0 50 EFAA Cc1cccn2ncc(-c3nccn3C[C@H]3CC(=O)N(C4CC4)C3)c12 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RDQQOFUKXNMDKL-INIZCTEOSA-N 328.416 2.881 0 50 EFAA CC(C)(C)OC(=O)[C@@H](c1ccc(Cl)cc1Cl)[C@H](N)C(=O)O 199479365 FBQNQJPQGYHJJS-QWRGUYRKSA-N 334.199 2.831 0 50 EFAA O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 379734 AOFOZXXRNLNFET-UHFFFAOYSA-N 325.773 2.912 0 50 EFAA Cc1ccc(N[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1C 11822042 HULPKPPQVZBOEV-KRWDZBQOSA-N 345.468 2.964 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)nc(C)n1 12439943 CVQDPLLKLNTWJB-GOSISDBHSA-N 338.455 2.530 0 50 EFAA COc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 19564601 QNHIRARMFCOEIG-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 4695109 NCAXZVTZQPJDKP-UHFFFAOYSA-N 332.425 2.563 0 50 EFAA COc1ccccc1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C 2847001 MIAUIPDANXLTFT-UHFFFAOYSA-N 326.396 2.875 0 50 EFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 4818877 HOYKJUYPKACUJH-YRNVUSSQSA-N 325.773 2.939 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)CSc1ncccn1 6742073 LIYZCBRSJKETDK-UHFFFAOYSA-N 337.426 2.754 0 50 EFAA CCCc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1 2498075 KDSXJQACIJYOFQ-UHFFFAOYSA-N 333.413 2.919 0 50 EFAA Cn1cccc1C(=O)N1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 1857530189 XCLZZPKOLHTBOM-KUHUBIRLSA-N 340.427 2.555 0 50 EFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccccc1C(F)(F)F)C2 1857667991 JJBIEKSSWMADJI-OAHLLOKOSA-N 342.317 2.762 0 50 EFAA CN1CCC2(CC1)OCCc1cc(C(=O)NC3(C)CCC3)sc12 1857689455 QEBBJITXGGKGGL-UHFFFAOYSA-N 334.485 2.914 0 50 EFAA Cc1nc(-c2nccn2Cc2noc(Cc3cccs3)n2)cn1C 1857734419 JAHDVRHRSGSZMZ-UHFFFAOYSA-N 340.412 2.676 0 50 EFAA CC(C)c1cc(-c2nc(Cn3cc(Br)cn3)no2)n[nH]1 225598379 UZKRRZSPRQVHLV-UHFFFAOYSA-N 337.181 2.590 0 50 EFAA Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccnc(O)c1)CCO2 458859482 QHOIKZDISMMCHA-ZDUSSCGKSA-N 327.384 2.761 0 50 EFAA COCC(=O)Nc1ccc(Nc2ncncc2Br)cc1 765463690 MLEHMZIQAIFIRU-UHFFFAOYSA-N 337.177 2.568 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1OCCc2ccccc21 261920913 ROMAAOFCMIAYHY-PQEBFOHHSA-N 329.396 2.545 0 50 EFAA CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cnc(Cl)cn2)C1 799116221 GELDKTVMBNFYLI-NSHDSACASA-N 326.828 2.619 0 50 EFAA Cc1ccccc1C1(C(=O)NCc2nnc(C)n2C)CCCCC1 264913875 NZKNLGIJZMDDCS-UHFFFAOYSA-N 326.444 2.950 0 50 EFAA Cc1csc(C2(NS(=O)(=O)c3c[nH]c4ncccc34)CCC2)n1 267110766 YKVFETBKPNPFTF-UHFFFAOYSA-N 348.453 2.686 0 50 EFAA CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccnc(C)c1 1875273574 KSPVJZLAJAVVAZ-IAGOWNOFSA-N 349.475 2.894 0 50 EFAA Cc1cc(NC(=O)c2c3c(nn2C)CCC3)nc(-c2ccccc2)n1 904982000 NKZXJRDQQRJRAP-UHFFFAOYSA-N 333.395 2.927 0 50 EFAA COc1cc(C(=O)NCc2ccc(C(=O)O)s2)cc2c1O[C@@H](C)C2 817868262 RGCYCCJSIVNYIJ-VIFPVBQESA-N 347.392 2.708 0 50 EFAA COc1cc(C(=O)NCc2ccc(C(=O)O)s2)cc2c1O[C@H](C)C2 817868261 RGCYCCJSIVNYIJ-SECBINFHSA-N 347.392 2.708 0 50 EFAA C[C@@H](NC(=O)c1cc(C(=O)O)co1)c1cnn(Cc2ccccc2)c1 432095908 IRZAOFARAMCRIE-GFCCVEGCSA-N 339.351 2.714 0 50 EFAA Cc1cc(C)cc(-n2ncc3c(NCCCn4cncn4)ncnc32)c1 2325780416 CSSQKVXWBGEWBL-UHFFFAOYSA-N 348.414 2.526 0 50 EFAA O=C(COC[C@H]1CCCO1)N1CCC[C@@H]1c1cc(F)cc(F)c1F 2325783751 ZBOGHSZPTNTXCN-IUODEOHRSA-N 343.345 2.963 0 50 EFAA O=C(O)C[C@@H]1CN(Cc2cccc(-c3ccc(F)cc3)n2)CCO1 2325788312 XXUNZQUWVWPHMY-MRXNPFEDSA-N 330.359 2.563 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCC(=O)N34)cc2)c1C 2325798142 QBLSRRDIZQIUSN-SJORKVTESA-N 338.411 2.581 0 50 EFAA Cc1cc(Br)cc2c(C(=O)N3CC[C@@H]3CF)n[nH]c12 2325802090 GXXJCBVVHSVKPH-SECBINFHSA-N 326.169 2.818 0 50 EFAA N[C@H](CNC(=O)c1cnn2cccc(Cl)c12)c1ccc(F)cc1 2325855948 WEUIFLUVJVFWLM-CQSZACIVSA-N 332.766 2.557 0 50 EFAA Cc1nc2ccc(CNCc3ccc(-n4cncn4)c(F)c3)cc2[nH]1 2325859781 KEWZVNLVTNJMEP-UHFFFAOYSA-N 336.374 2.881 0 50 EFAA Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)C2=COCCC2)o1 122855730 TVPPMYZUSZHKQG-INIZCTEOSA-N 325.368 2.698 0 50 EFAA O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)cc1 4986539 ZJBKSYNSMCSSEE-UHFFFAOYSA-N 329.356 2.750 0 50 EFAA COc1cc(OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1Cl 6698810 GKAHNKIYDIQFAB-NXEZZACHSA-N 339.775 2.963 0 50 EFAA Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)n1 6728855 JKPWMYYJUCVTAK-UHFFFAOYSA-N 331.426 2.967 0 50 EFAA CCOc1ccccc1OCCN(C)C(=O)[C@@H](C)n1nc(C)cc1C 55393118 IVTKGTKIBRQYPZ-MRXNPFEDSA-N 345.443 2.997 0 50 EFAA COc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c(O)c1 65397078 GGEUPFSEFLEOKW-MAUKXSAKSA-N 345.370 2.531 0 50 EFAA CC1(C)C[C@H](NC(=O)c2cn(CCCc3ccccc3)nn2)CCO1 11767502 VMOIHHWPXULRAU-MRXNPFEDSA-N 342.443 2.598 0 50 EFAA CC[C@H]1Oc2cc([C@@H](C)NCc3ncnn3C(C)C)ccc2NC1=O 253430607 FLELBLJFYXUVBT-IUODEOHRSA-N 343.431 2.819 0 50 EFAA CCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(=O)O)cc1C 323585755 CLAJJSWMHVNTOP-UHFFFAOYSA-N 335.381 2.614 0 50 EFAA CN(C)c1ccnc(N2CCC[C@](CO)(Cc3ccccc3F)C2)n1 67885380 YKGUSDPKLWSJBJ-IBGZPJMESA-N 344.434 2.503 0 50 EFAA CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2 365619389 LPSHEUJSOJEIIK-XKQJLSEDSA-N 343.427 2.896 0 50 EFAA O=C(O)[C@H]1CCCN1C1CCN(Cc2cc3ccccc3o2)CC1 325533734 JRBUDVLEDCZAJS-QGZVFWFLSA-N 328.412 2.946 0 50 EFAA Cc1ccc2nc(CN3CCCC[C@@H]3CCN3CCOCC3)cn2c1 72150162 LTAXEDDBULYGOF-LJQANCHMSA-N 342.487 2.720 0 50 EFAA COCCC[C@@H]1CCCCN1C(=O)c1cc2nc(C)cc(C)n2n1 77504341 AMLHQDBWTOIAIJ-HNNXBMFYSA-N 330.432 2.767 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)N2CCSCC2)CN1Cc1ccccc1 126040931 NHZMJSJEAYPGNH-WBVHZDCISA-N 333.501 2.655 0 50 EFAA CCNC(=O)c1cccnc1N1CCN(c2ccc(Cl)cc2)CC1 32593249 ASBVGCJIKQTAGM-UHFFFAOYSA-N 344.846 2.811 0 50 EFAA c1cn(C[C@H]2COCCO2)c(-c2ccc(CN3CCCC3)s2)n1 71751672 VZAORHGAGPXUSP-AWEZNQCLSA-N 333.457 2.623 0 50 EFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2)C1 379254182 DKZOWRQAMGTLOC-ZYHUDNBSSA-N 336.741 2.599 0 50 EFAA Fc1cccc(-c2noc(CCc3nnc4ccc(Cl)nn34)n2)c1 71289446 HYAYBBVGQGLFNH-UHFFFAOYSA-N 344.737 2.752 0 50 EFAA COc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)ccn1 77302698 FDKVYDBWXFHHCZ-UHFFFAOYSA-N 343.402 2.577 0 50 EFAA c1csc(CCNc2nc(C3CCCC3)nc3c2CCNCC3)n1 72410505 VJCDEHZOPNGXFX-UHFFFAOYSA-N 343.500 2.934 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1 176020030 VARAORPNDMWOLL-STQMWFEESA-N 347.394 2.534 0 50 EFAA CCc1ccc(NC(=O)Cc2ccccc2S(C)(=O)=O)cc1F 339960374 QUDGMERTVBRJOM-UHFFFAOYSA-N 335.400 2.973 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1nnc(-c3ccsc3)s1)CC2 239653939 BLSWSRWNWKPIIM-RYUDHWBXSA-N 349.485 2.967 0 50 EFAA C[C@@H](NCc1nc(C2CC2)no1)C1CCN(CC(F)(F)F)CC1 340218068 LEJCLRWIIKDOTN-SNVBAGLBSA-N 332.370 2.699 0 50 EFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)C1(c2ccccc2F)CC1 220454540 JRUXGJUKODCHQH-SJORKVTESA-N 333.403 2.558 0 50 EFAA CCCc1nnsc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 222549238 SHAKZZQUZXGBHU-AWEZNQCLSA-N 346.456 2.707 0 50 EFAA CCN(CCn1cccn1)C(=O)CN1CCC(c2ccccc2)CC1 222276994 YTIFOOXIFKXBBA-UHFFFAOYSA-N 340.471 2.611 0 50 EFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 426404144 DNEPMVOWPAMVHJ-OAHLLOKOSA-N 328.416 2.881 0 50 EFAA CCOc1cc2c(cc1-c1cn([C@@H]3CC(=O)N(CC)C3)nn1)CCC2 92028361 JLCFHKXJXMXONP-OAHLLOKOSA-N 340.427 2.626 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1C 95518719 QZPOFZSYEAZNDM-IAGOWNOFSA-N 343.471 2.781 0 50 EFAA O=C(c1ccns1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 92077872 KMMJLQZJHGPXSA-GOSISDBHSA-N 347.484 2.931 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1csc(C(C)=O)c1)C2 95502368 DCGHUIYAXCBJLN-LBPRGKRZSA-N 345.420 2.940 0 50 EFAA COc1cc2c(cc1CN1CC[C@@]3(CCCN(C)C3=O)C1)CCC2 91665562 CUTMYLMRTMYQRI-FQEVSTJZSA-N 328.456 2.628 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91934193 LWQNBSXCBKSCPF-MRXNPFEDSA-N 335.411 2.674 0 50 EFAA COc1ccccc1CCNC(=O)[C@@H](c1cccc(C)c1)N(C)C 95356305 RCWKLTRSEKJUTM-LJQANCHMSA-N 326.440 2.965 0 50 EFAA CCN(CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(C2CC2)o1 244574875 CSTUMSVXGRJQDR-UHFFFAOYSA-N 341.415 2.897 0 50 EFAA O=C(NC1CC1)[C@@H](O)C1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 299753588 YSHAGYRPEZDPIZ-MOPGFXCFSA-N 346.446 2.555 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(Cc2nc(O)c3sccc3n2)C1 253536471 GGKZEPOUIXVKHH-SFHVURJKSA-N 341.436 2.799 0 50 EFAA COc1cc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)on1 184736142 CKWNAWTZABPSFU-GFCCVEGCSA-N 349.818 2.901 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ccnn1C 282641329 UCFXUOHOFAAVOL-HNNXBMFYSA-N 349.456 2.653 0 50 EFAA Cc1ccccc1-c1ccccc1C(=O)N1CCN2CCN(C)C[C@H]2C1 299773500 DEXCBCVFJPMUBN-SFHVURJKSA-N 349.478 2.734 0 50 EFAA O=C(CCN1CCCCC1=O)Nc1ccccc1OC[C@H]1CCCO1 828075408 SAIKNOIHPBPXCW-OAHLLOKOSA-N 346.427 2.586 0 50 EFAA Cc1[nH]nc(CCC(=O)NCCOc2cccc3cccnc23)c1C 670461261 PHWYVRJEROYGIR-UHFFFAOYSA-N 338.411 2.703 0 50 EFAA Oc1nc(O)c2c(n1)CN(CCc1cccc(Cl)c1Cl)C2 1875299573 PFQPYPCPCGTQPA-UHFFFAOYSA-N 326.183 2.753 0 50 EFAA F[C@H]1C[C@H](Cc2noc([C@H]3CC[C@H](N=c4cncc[nH]4)CC3)n2)C1 1875280865 CZAOTLGLHWSPRQ-HDRKRICHSA-N 331.395 2.710 0 50 EFAA O=S(=O)(Nc1nncs1)c1cc(Cl)ccc1OCC1CC1 1875280191 ZANKJZVEMMUNLX-UHFFFAOYSA-N 345.833 2.781 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H](c2nccn2C)C2CC2)cn1 886080447 SNOKGVANCWMBSN-CGTJXYLNSA-N 343.475 2.845 0 50 EFAA Cc1cnn([C@@H]2[C@@H](N[C@@H]3CC4(CCC4)Oc4ccccc43)C[C@H]2O)c1 886097393 YKIPZGQMUCDPPB-DODZYUBVSA-N 339.439 2.902 0 50 EFAA Cc1cnc(C(C)(C)NC(=O)[C@]2(c3ccccc3)C[C@H]2C(=O)O)s1 899816740 GREPXEXDUNMYJH-UGSOOPFHSA-N 344.436 2.845 0 50 EFAA CC(=O)CCc1ccc(OS(=O)(=O)Cc2csc(C)n2)cc1 170599245 QYFAGGCXYGJXOQ-UHFFFAOYSA-N 339.438 2.882 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 408473514 POORQKLFXWFNOV-QZTJIDSGSA-N 337.423 2.814 0 50 EFAA COc1ccc(-c2nnc(SC[C@H]3CCCN3C)o2)cc1OC 408522802 LXBUTOBRXSZEET-GFCCVEGCSA-N 335.429 2.940 0 50 EFAA Cc1noc(C)c1C[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 221905277 HLLGLVKLEFXOET-NZBMOFRJSA-N 334.416 2.714 0 50 EFAA COC(=O)c1ccccc1CCN1CCSC2(CCOCC2)C1 187566435 LRSBAKFKROXPNG-UHFFFAOYSA-N 335.469 2.614 0 50 EFAA CCCN1CCC[C@H]1CNC(=O)c1nc(C)sc1Br 412347707 PBPCNZMGYKIHJH-JTQLQIEISA-N 346.294 2.818 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCCc2ccncc2C)cn1 657417823 ZLTICQJRMBZOJT-PKOBYXMFSA-N 328.460 2.906 0 50 EFAA C[C@H](c1ccc(Br)cc1)N1CCN(CCC(=O)O)CC1 86730123 FGZJNOLHDQWUKC-GFCCVEGCSA-N 341.249 2.602 0 50 EFAA CCCCN(Cc1ccncc1)C(=O)c1cc(O)cc(C(=O)O)c1 1506412321 CBRABXDTBUYXLL-UHFFFAOYSA-N 328.368 2.928 0 50 EFAA COc1cc(OC)nc(NCCOc2cccc3cccnc23)n1 1529181294 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2.539 0 50 EFAA Cc1noc([C@H]2CCN(Cc3c[nH]nc3-c3ccccc3F)C2)n1 344871825 HIYMPIHMXBQVDB-LBPRGKRZSA-N 327.363 2.897 0 50 EFAA O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 247806934 BTPQFCOLIZZZIY-IRXDYDNUSA-N 338.455 2.671 0 50 EFAA COc1ccc([C@H](NC(=O)c2c(C)noc2C)C(=O)O)cc1Cl 262984045 JRCAEBRJAHYJDE-ZDUSSCGKSA-N 338.747 2.509 0 50 EFAA CCC[C@]1(C(=O)O)CCN(CCOc2ccc(C)cc2C)C[C@@H]1O 1704335258 MCSLNPXDCSXMOW-HKUYNNGSSA-N 335.444 2.620 0 50 EFAA CC(C)(C)Cc1ncc(C(=O)N[C@H](C(=O)O)c2cccnc2)s1 907784709 HLGNGQFXIRORBI-ZDUSSCGKSA-N 333.413 2.682 0 50 EFAA O=C(Nc1cc(CO)ccn1)[C@@H]1CCN(c2ccccc2Cl)C1 911237538 UHFLVTGIYXLOFY-CYBMUJFWSA-N 331.803 2.692 0 50 EFAA COc1cc(Br)cc(CNC(=O)C2CCC(O)CC2)c1 830421835 KKFPHQBHCXWLJF-UHFFFAOYSA-N 342.233 2.625 0 50 EFAA C[C@H](NC(=O)c1cnc(CC(C)(C)C)s1)c1nnc2n1CCC2 930479955 AAQDDNDMSLHCKH-JTQLQIEISA-N 333.461 2.760 0 50 EFAA Cc1ccc(F)c2oc(C(=O)N3CC[C@@H](N4CCCC4=O)C3)cc12 935617267 SMCUSFDKPCVYBR-GFCCVEGCSA-N 330.359 2.717 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)cc1C 11613977 RNLGQLKVSSPWAM-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(=O)ccoc2c1)c1ccc2c(c1)CC(=O)N2 2325748785 NNJVRKPTGXXYFX-LLVKDONJSA-N 348.358 2.779 0 50 EFAA CNC1(CNC(=O)NCCc2c[nH]c3ccc(O)cc23)CCCCC1 2325785154 FWXMDNQPEBOSSF-UHFFFAOYSA-N 344.459 2.638 0 50 EFAA Cc1nn(Cc2ncc(Cl)s2)c(C)c1[C@@H]1COCCN1C 852962038 BDCLWRIXZLUNFV-NSHDSACASA-N 326.853 2.661 0 50 EFAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 69728 ZYRGEIDNAZDGJD-QGZVFWFLSA-N 338.363 2.764 0 50 EFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)C1CCCCC1 574910 ZCHGBLMLFJOSRJ-UHFFFAOYSA-N 344.864 2.873 0 50 EFAA NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 2478138 IQWSJGVPENYSCK-UHFFFAOYSA-N 349.106 2.634 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccccc3C(=O)O)C1)CC2 2356156828 SPMVVIHXVPZZJC-FQEVSTJZSA-N 337.423 2.963 0 50 EFAA Cc1c(NC(=O)[C@@H]2CCOC2)cccc1C(=O)Nc1nccs1 55182477 KGYDIUXNILQXAA-LLVKDONJSA-N 331.397 2.679 0 50 EFAA CN(C)c1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cn1 135183370 JUKYJVUNECKBDJ-OAHLLOKOSA-N 327.403 2.992 0 50 EFAA COc1ccc(C)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10314515 QBBQTRIHXMKPMR-UHFFFAOYSA-N 348.424 2.936 0 50 EFAA CC(=O)NCC1=CCCN(Cc2cc(=O)oc3c(C)cc(C)cc23)C1 65453110 KFWZAJJEFRMZCP-UHFFFAOYSA-N 340.423 2.678 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@@H]2CCCC[C@H]21 67678289 GGRDGYVZIVANQZ-QZTJIDSGSA-N 325.412 2.715 0 50 EFAA O=C1CC[C@@H](c2nc(-c3ccc4c(O)ncnc4c3)no2)n2cccc21 350199388 AFANUJNCEKFAIU-AWEZNQCLSA-N 347.334 2.753 0 50 EFAA CCCC(=O)C(=O)N1Cc2c(-c3cccc(C)c3)nc(N)nc2[C@@H]1C 67871865 MQUULRKANMHQHZ-LBPRGKRZSA-N 338.411 2.807 0 50 EFAA CCn1ncc(C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1C 67434586 BUWVYDUPAIEWNM-UHFFFAOYSA-N 325.416 2.977 0 50 EFAA CCc1nccn1CCCNC(=O)c1cn2cc(Cl)ccc2n1 65455057 UWNPRZIPMBLGOQ-UHFFFAOYSA-N 331.807 2.567 0 50 EFAA CC1(C)CN(C(=O)Cc2noc3ccc(F)cc23)[C@H]1[C@@H]1CCCO1 333329973 ODDXTJGIDNLBLW-RDJZCZTQSA-N 332.375 2.925 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2nc1O 253585479 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341.386 2.976 0 50 EFAA CCn1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c2ccccc21 262145933 OAORDSMHNZAOGM-HNNXBMFYSA-N 326.396 2.988 0 50 EFAA O=C(c1csc(O)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 373242290 GSPYBPABWDZAPP-GFCCVEGCSA-N 332.381 2.597 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCCN1CC1CC1 71750974 NQIYUCWMBXDNLP-INIZCTEOSA-N 337.414 2.942 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c(OC)c1 262578105 PJEQNSGJGSNSHD-OLZOCXBDSA-N 335.400 2.553 0 50 EFAA O=C(c1cccc(Oc2ccccc2)c1)N1CCOC[C@H](CO)C1 77394505 ODEILLLIDXKHOR-HNNXBMFYSA-N 327.380 2.560 0 50 EFAA C[C@H]1C[C@@H](C(=O)O)CN(Cc2cc3c(cc2OC(F)F)OCO3)C1 263072626 PTMPUYBMIRKHKV-GXSJLCMTSA-N 343.326 2.559 0 50 EFAA COc1ccc(OC2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)cc1 77520781 CQKCBBJTTVBNCO-OAHLLOKOSA-N 343.427 2.598 0 50 EFAA O=c1[nH]nc(CCn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)[nH]1 72164890 HXKAOCBEESYOJX-UHFFFAOYSA-N 343.390 2.775 0 50 EFAA COc1ccc(C)cc1NC(=O)Cn1ccnc1-c1ccc(CO)o1 77321865 UOUNYSOBGOXULM-UHFFFAOYSA-N 341.367 2.591 0 50 EFAA CN(C)C(=O)N1CCN(Cc2cccc(OC3CCCC3)c2)CC1 133551741 ZTWBCYRQORCNTK-UHFFFAOYSA-N 331.460 2.807 0 50 EFAA Cc1cnccc1CC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 289071663 JVUYMLBDOBFRJE-OAHLLOKOSA-N 327.432 2.928 0 50 EFAA O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(-c2ncn[nH]2)c1 160832316 GLFYJRCJXWRYJV-UHFFFAOYSA-N 330.351 2.910 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3cc(C(C)C)on3)CC2)ccn1 82087850 KEHPKNUPQWOAPZ-UHFFFAOYSA-N 328.416 2.854 0 50 EFAA Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3C(=O)O)n2)s1 20614863 JNHDLSAWIYRRGU-UHFFFAOYSA-N 348.409 2.864 0 50 EFAA Cc1nnc2ccc(NC[C@@H]3CCN(c4ccccc4F)C3)nn12 292395880 RHLHCBQFBAXRRV-ZDUSSCGKSA-N 326.379 2.510 0 50 EFAA Cc1ccccc1C(=O)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96140661 YINVAPSAIMNFMR-HNNXBMFYSA-N 341.411 2.902 0 50 EFAA Cc1nc(O)c2c(n1)CN(C(=O)CSCc1ccccc1Cl)C2 426383990 TWHQZKRSDCTFFH-UHFFFAOYSA-N 349.843 2.920 0 50 EFAA CC1(C)CN(C(=O)c2cnc3cnccc3c2)C[C@H](C(F)(F)F)O1 293707298 LOVDGQVAGUKNFU-CYBMUJFWSA-N 339.317 2.812 0 50 EFAA CCC[C@@H]1CN(C(=O)c2[nH]c(-c3ccccc3)nc2C)C[C@H]1C(=O)O 91713829 ABDRTIWIYYWYHV-HUUCEWRRSA-N 341.411 2.958 0 50 EFAA O=C(Cn1ncc2ccccc21)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91807988 NMMSTWOWRZDDAS-SFHVURJKSA-N 349.434 2.620 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 180691814 YOUZSUJFVONNBI-IQMFZBJNSA-N 332.429 2.906 0 50 EFAA CCc1c(C)nc(N)nc1N1CCN(Cc2ccc(Cl)cc2)CC1 95381436 PCYCMUPRAMDFSG-UHFFFAOYSA-N 345.878 2.905 0 50 EFAA CCN1CCN(CCCOc2cccc(Br)c2)CC1 230554662 KADQAWPNTLZZFU-UHFFFAOYSA-N 327.266 2.856 0 50 EFAA Cc1noc(C)c1CCC(=O)NC[C@@H]1CCOc2ccccc2C1 95374362 WVEJNWMCDCWJNN-OAHLLOKOSA-N 328.412 2.982 0 50 EFAA CC(=O)c1ccc(N2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)nc1 181209037 ZWXJSRSVZKDNBS-IYBDPMFKSA-N 345.487 3.000 0 50 EFAA CC1(C)CN(C(=O)CCCN2CCOCC2)C[C@H]1c1ccccc1 91678441 IUTISACUFSEVBH-SFHVURJKSA-N 330.472 2.751 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NC[C@H]2CC[C@H](CO)CC2)c1 244875054 XLTGRCJMIBLEKJ-QAQDUYKDSA-N 333.472 2.919 0 50 EFAA COC(=O)[C@H](NC(=O)/C(C)=C\c1ccc(F)cc1)c1ccc(O)cc1 184109625 RYNISZRAWYKWAH-WFTPILKQSA-N 343.354 2.965 0 50 EFAA O=C1NCCN1Cc1ccccc1NCCc1ccc2c(c1)CCO2 184442048 HVTWJKDVOQTSDD-UHFFFAOYSA-N 337.423 2.801 0 50 EFAA Cn1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2ccccc21 1940195601 QTYMDVAKBCBSDT-CRAIPNDOSA-N 335.407 2.561 0 50 EFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 299792045 DZBBTHSZEXEGRV-MRXNPFEDSA-N 349.866 2.903 0 50 EFAA C[C@@](O)(CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1Cl 841951502 YGXHLRYZANVZSK-SJLPKXTDSA-N 347.846 2.547 0 50 EFAA O=C(O)[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)C1CCCCC1 299795513 LTOPTINIGSCNIU-OAHLLOKOSA-N 333.363 2.599 0 50 EFAA CN(C)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cn1 828163279 PRTRXEFDDNMWDI-OAHLLOKOSA-N 344.484 2.604 0 50 EFAA CCn1cncc1CNC(=O)c1cccc(-c2ncnn2C(C)C)c1 584898593 FPQJITDPVWMRNL-UHFFFAOYSA-N 338.415 2.672 0 50 EFAA C[C@@H](CCNC(=O)N1CCN(C2CCCC2)C(=O)C1)c1ccccc1 584887934 GUQDZSXMHPUTFJ-INIZCTEOSA-N 343.471 2.977 0 50 EFAA O=C(C1CCCCC1)N1CCC[C@H]1c1ncnn1-c1ccncc1 670456478 PDVUAKXMJSILDW-INIZCTEOSA-N 325.416 2.906 0 50 EFAA C[C@]1(CNC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)CCOC1 685940790 VINIYWSCNNUESF-SJLPKXTDSA-N 332.444 2.616 0 50 EFAA O=S(=O)(NC1(C(F)(F)F)CCCC1)c1cnn(C2CCC2)c1 1875279983 NTUQOIHHGINMIO-UHFFFAOYSA-N 337.367 2.762 0 50 EFAA CC(C)c1cnn(C)c1CN1CC[C@@](C(=O)O)(c2ccccc2)C1 1875283285 MLXMDIPNVCGIHC-IBGZPJMESA-N 327.428 2.772 0 50 EFAA FC1(F)CC[C@H]2C[C@]21CN1CC(c2ccnc(-c3ncccn3)n2)C1 1875356655 OUYAKVOSAFTVSG-GUYCJALGSA-N 343.381 2.768 0 50 EFAA FC(F)(F)[C@@H]1CCN(c2cc(-c3ncccn3)ncn2)CC1(F)F 1875404829 XHVYJERPHFCSEK-SNVBAGLBSA-N 345.275 2.958 0 50 EFAA O=S1(=O)CC[C@@](O)(CN[C@H](C2=CCCCC2)C2CCCCC2)C1 952995089 CQFDVCUMYLSGRC-QZTJIDSGSA-N 341.517 2.575 0 50 EFAA CSCC[C@H](NC(C)=O)C(=O)Nc1cc(Cl)ccc1N(C)C 952873863 PCQUWNZKIQWGOA-LBPRGKRZSA-N 343.880 2.602 0 50 EFAA CCn1ncnc1-c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2)cc1 888027060 MWYDPMCWCJJGSW-CYBMUJFWSA-N 338.333 2.989 0 50 EFAA NC(=O)c1cc(N2CCC[C@H](CNc3ccc(Cl)cc3)C2)ncn1 895905198 GHWRGRRBWVFVMJ-GFCCVEGCSA-N 345.834 2.557 0 50 EFAA CN(C)C(=O)c1ccnc(NC(=O)C(C)(C)Nc2ccccc2)c1 897045403 MKVRBKJLRZEYGT-UHFFFAOYSA-N 326.400 2.613 0 50 EFAA Cc1[nH]ccc(=NC(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1Cl 1345842680 NOIBRVSQOBPLDD-JTQLQIEISA-N 347.728 2.624 0 50 EFAA O=S(=O)(C[C@@H]1CC2(CCC2)CO1)NCc1cc2ccccc2o1 1364781681 CPNPOMJWSVVVER-HNNXBMFYSA-N 335.425 2.811 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ncoc1C1CC1 1565516578 YJVZIJUHFAQDDV-HOTGVXAUSA-N 342.395 2.656 0 50 EFAA COCc1ccc([S@](=O)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 170667584 IPMRTXNKHUOVGE-KFOHMRLHSA-N 337.485 2.978 0 50 EFAA CCNC(=O)c1ccc(NC(=O)c2ccc(NCC3CC3)nc2)cc1 170617917 LTXKLAPWRMAKNC-UHFFFAOYSA-N 338.411 2.906 0 50 EFAA Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCCC12CCOCC2 282057229 MMROCWSYKCWCTQ-QZTJIDSGSA-N 333.472 2.982 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCO[C@H](Cc3ccccc3)C2)c1 634690274 HQLAXEDQFRUHHX-RTBURBONSA-N 341.407 2.764 0 50 EFAA Cc1cnccc1CNC(=O)N1CCC(O)(c2ccccc2)CC1 188273735 DAVXPYBODJBTEP-UHFFFAOYSA-N 325.412 2.583 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 188474916 GFWHPRPNNGHOIS-JQWIXIFHSA-N 329.356 2.559 0 50 EFAA C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@](O)(C(F)(F)F)C1 408274668 NESTYVNWYVVVJM-BXUZGUMPSA-N 347.385 2.629 0 50 EFAA C[C@H](c1nnnn1-c1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 222199648 FYGUZIHPTSABDV-CVEARBPZSA-N 349.442 2.552 0 50 EFAA CC1=Nc2ccccc2/C1=C\NNC(=O)[C@H]1COc2ccccc2O1 111252296 VOOAHKMPKANBRL-RXEWJAMOSA-N 335.363 2.594 0 50 EFAA CN(CCNC(=O)c1c[nH]c(=O)c2ccccc12)C1CCCCC1 225538233 VRWJYQPRBDNOIT-UHFFFAOYSA-N 327.428 2.522 0 50 EFAA CCCCc1noc(CN2CCOc3ccc(C(=O)OCC)cc32)n1 225670730 VFMIUBVYJMQWSG-UHFFFAOYSA-N 345.399 2.988 0 50 EFAA Cc1cc(CCNC(=O)N2CCC(c3ccn[nH]3)CC2)cc(C)c1O 190911408 PPXDUYPGSMHOQT-UHFFFAOYSA-N 342.443 2.864 0 50 EFAA COc1cc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1C(C)C 193915659 ULLBUFCQTBMFMO-UHFFFAOYSA-N 337.445 2.686 0 50 EFAA CN(Cc1cscn1)C(=O)c1ccccc1OC[C@@H]1CCCO1 194297009 HNANFVTUZJEWJE-AWEZNQCLSA-N 332.425 2.973 0 50 EFAA O=C(NCc1cnn(Cc2ccccc2)c1)NC1CCSCC1 195473959 JGHDMDVYIPXMJJ-UHFFFAOYSA-N 330.457 2.626 0 50 EFAA O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)N1CCC[C@@H]1CC1CCCC1 654588650 HCSPFLHDTIPLNB-BRWVUGGUSA-N 333.476 2.894 0 50 EFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(c2ccccc2F)CC1 1529196192 VZPCDSQUWAECRU-CRAIPNDOSA-N 340.398 2.626 0 50 EFAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1F 389235 NDZIUJNCNOXEHE-UHFFFAOYSA-N 331.734 2.828 0 50 EFAA O=C(c1csc2c1CCCC2)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616080633 UCIWYEVDJXUTIV-YOEHRIQHSA-N 346.496 2.562 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 456863 JRVTUMGBEWBQSK-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA CCc1cccc(OCCCN(C)c2nnc(CCCCN)o2)c1 1772710452 VSTLQFJCYGWQLG-UHFFFAOYSA-N 332.448 2.819 0 50 EFAA CCCCn1c(CN2C[C@@H]3COCC[C@]3(CO)C2)nc2ccccc21 1772708049 CLOYICGUDPFWEA-OXQOHEQNSA-N 343.471 2.667 0 50 EFAA Cc1nonc1CNC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1 1772704380 FSMQVMJKDYOTDW-QGZVFWFLSA-N 337.379 2.726 0 50 EFAA Cn1ccc(C2CCN(CC[C@@H](O)c3ccccc3)CC2)cc1=O 1772809845 FWSXATBLWMUOSR-LJQANCHMSA-N 326.440 2.688 0 50 EFAA COc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1F 1772815876 AQFFANUCBXEGHL-UHFFFAOYSA-N 330.403 2.913 0 50 EFAA O=C(O)c1cnc(CN(Cc2ccccn2)C2CCCCC2)cn1 1772710460 WGNHOPNLWFWGEQ-UHFFFAOYSA-N 326.400 2.905 0 50 EFAA O=C(CCc1cccnc1)N1CCO[C@H](Cc2ccc(F)cc2)C1 12308925 ZNCAEJOPVDKOHU-GOSISDBHSA-N 328.387 2.623 0 50 EFAA O=C(CCc1cccnc1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 12308926 ZNCAEJOPVDKOHU-SFHVURJKSA-N 328.387 2.623 0 50 EFAA CCN1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 12594647 UVQKLPWJZIBVDO-OAHLLOKOSA-N 334.460 2.832 0 50 EFAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CCC(=O)N(C2CCCC2)C1 12702159 PETLMHCYMKGWMH-HNNXBMFYSA-N 339.439 2.965 0 50 EFAA NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 6701901 DKLAHVMLXBOTKF-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA COc1ccccc1-n1cc(C(=O)N2Cc3cnc(C)cc3C2)cn1 1857679548 MEUVXEVLZVCOEG-UHFFFAOYSA-N 334.379 2.740 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2nn(C)cc21 225763205 CNENNESLNKCONY-MEBBXXQBSA-N 335.354 2.659 0 50 EFAA CCOc1ncc(C(=O)N2c3ccccc3C[C@H]2CN)cc1Cl 422627378 ODECBXAMUKMSJO-ZDUSSCGKSA-N 331.803 2.664 0 50 EFAA O=C(c1ccc(-n2cnnn2)cc1)N1CC2(CCC2)c2c(F)cccc21 328589650 RCATUIMJSYRTCL-UHFFFAOYSA-N 349.369 2.884 0 50 EFAA CSCC(C)(C)C(=O)N1CCC(CN2CCCCC2=O)CC1 328586623 MHVXDWNGWPAQKM-UHFFFAOYSA-N 326.506 2.627 0 50 EFAA CN(CCc1ccccn1)[C@@H]1CCCN(c2ccccc2F)C1=O 153017503 QPWDKAMXQJEBLQ-GOSISDBHSA-N 327.403 2.891 0 50 EFAA COC1(CN[C@@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 153404235 AVUMANKLFQXGOR-CABCVRRESA-N 342.439 2.753 0 50 EFAA Clc1cnc(N2CCN(c3ncnc4[nH]ccc34)CC2)c(Cl)c1 263807032 SEGDRACALZIMBU-UHFFFAOYSA-N 349.225 2.986 0 50 EFAA CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 267337619 PREBJUTVFLTYOK-IUODEOHRSA-N 349.456 2.838 0 50 EFAA Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 901835129 KJNQPAHIOUUCSS-BZSNNMDCSA-N 345.439 2.798 0 50 EFAA C[C@]1(c2nc(-c3ccc(-c4ccccc4)nc3)no2)CCNC(=O)C1 904095828 KDWRUVMDVWUEFC-IBGZPJMESA-N 334.379 2.966 0 50 EFAA CN1CCN(C(=O)CCc2ccccc2C(=O)O)C2(CCCCC2)C1 833697398 ILUNQWBLCZJHNK-UHFFFAOYSA-N 344.455 2.794 0 50 EFAA OCC[C@@H]1CCCCN1C[C@@H](O)c1ccc(Br)cc1 229576123 JNHDUYTUNGNQSP-LSDHHAIUSA-N 328.250 2.719 0 50 EFAA COc1cccc(-c2nccc3[nH]c(=O)c(-c4noc(C)n4)cc23)c1 7384 JQOFKKWHXGQABB-UHFFFAOYSA-N 334.335 2.957 0 50 EFAA investigational C[C@@H]1CN(c2cc(-c3nc(=Nc4ccccc4)[nH]o3)ccn2)CCO1 2325736785 WYYGCOGYNRTZOJ-CYBMUJFWSA-N 337.383 2.522 0 50 EFAA CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[C@H](c2ccccc2)C1 2325771978 IUUZZOCVORLBDT-SZMVWBNQSA-N 336.501 2.536 0 50 EFAA O=C1CCCN1Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)CC3(F)F)cc1 2325775766 HOVACPCNJOHBGE-DZGCQCFKSA-N 349.381 2.928 0 50 EFAA CCc1c(CN2CCC[C@@H](Cc3nc(C(=O)O)cs3)C2)cnn1C 2325790531 RZDLODFSRLULGR-LBPRGKRZSA-N 348.472 2.592 0 50 EFAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 147704 TXJGMXWQSJLVDU-UHFFFAOYSA-N 343.763 2.686 0 50 EFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccnc3)N2C1=S 187551 KLPHMPVHSQYCSI-NVXWUHKLSA-N 348.431 2.636 0 50 EFAA CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 255733 PFIXTWKCGGGEDS-GFCCVEGCSA-N 338.363 2.709 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 529058 RUOJVNPMEQZKMW-UHFFFAOYSA-N 338.407 2.860 0 50 EFAA O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1 6110433 BYSMOZXJNKBUAF-UHFFFAOYSA-N 348.406 2.956 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)(C)C)on2)c1 6697267 FGUQPWPUQLKCEP-UHFFFAOYSA-N 340.401 2.790 0 50 EFAA C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cnn2ccccc12 345426547 DHZRYKGPHQBSOE-CQSZACIVSA-N 338.386 2.824 0 50 EFAA Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)NCc2ccco2)cc(C)c1O 105798817 PBMYWLAEBVBABZ-PIIMJCKOSA-N 340.423 2.596 0 50 EFAA Cc1cc(C(=O)N2CCc3ccccc32)ccc1N(C)S(C)(=O)=O 65362064 BDISJMFHNXPNLC-UHFFFAOYSA-N 344.436 2.594 0 50 EFAA CCn1c(C2CCN(Cc3nc(C(C)C)cs3)CC2)nn(C)c1=O 67935153 AFHORLCSNWWPPU-UHFFFAOYSA-N 349.504 2.561 0 50 EFAA CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 67629375 IEGFBQKQJAOXIV-AWEZNQCLSA-N 338.473 2.636 0 50 EFAA CCCc1[nH]ccc1C(=O)NCc1cccc(C(=O)NC2CC2)c1 421747833 DABTYOPJRZWDKV-UHFFFAOYSA-N 325.412 2.789 0 50 EFAA C[C@H]1Cc2cc(CNC(=O)c3ccc(-n4cnnc4)cc3)ccc2O1 65431340 OICCYSWZYBFTHH-ZDUSSCGKSA-N 334.379 2.521 0 50 EFAA Cc1ccc(-c2cccnc2)cc1N1C(=O)N[C@]2(CCSC2)C1=O 348664658 DLJAOSRUPFJBJN-SFHVURJKSA-N 339.420 2.989 0 50 EFAA O=C(NCC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1O 67692109 OIIQSPASHJNYBU-MRXNPFEDSA-N 339.439 2.819 0 50 EFAA O=C(CN1CCCC1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67973743 LLDBPYQBHQJILB-HNNXBMFYSA-N 343.254 2.989 0 50 EFAA CC(C)N(C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 20514243 UWQQBENHLFDBAJ-UHFFFAOYSA-N 341.459 2.675 0 50 EFAA C[C@]1(NC(=O)NC[C@@H]2CCCC[C@H]2OCC(F)(F)F)CCOC1 252486382 JOMVAVIXNANDMH-SCRDCRAPSA-N 338.370 2.602 0 50 EFAA Cc1cnc(CN(C)[C@@H]2CCN(C[C@@H](O)c3ccccc3C)C2)o1 229914220 SAYBNMCDXAGCSZ-SJLPKXTDSA-N 329.444 2.531 0 50 EFAA NC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 65858552 WQEOJRKGTVJZPF-UHFFFAOYSA-N 337.423 2.636 0 50 EFAA CCCCN(C)c1ccc(C(=O)NC[C@@H](O)c2ccncc2)cc1 120969426 ZCSYUYGBFRCAGD-GOSISDBHSA-N 327.428 2.781 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 121582097 SDHQUQWDTVYPHT-UFYCRDLUSA-N 338.451 2.671 0 50 EFAA COc1ccc(NC(=O)[C@H](C)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 363999699 JHNZOIDPKJOBPC-GUYCJALGSA-N 344.415 2.510 0 50 EFAA O[C@@H](Cc1ccc2ccccc2c1)CN1CCC(n2cncn2)CC1 365319859 CXODUGUSXRHXGH-FQEVSTJZSA-N 336.439 2.672 0 50 EFAA C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 284111473 CIYHYEHEOJYIAR-NFAWXSAZSA-N 335.469 2.889 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC=C(c2ccccn2)C1 328597969 JSQBWXWRVXFEEU-MRXNPFEDSA-N 343.427 2.707 0 50 EFAA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccccc1Br 6926995 GUYNVUOQFJZCAW-MRVPVSSYSA-N 340.095 2.643 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1OC 7050610 ILVWULWKJZEWFL-UHFFFAOYSA-N 333.409 2.993 0 50 EFAA NC(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccccc3)ccc21 155828673 QRPDSBBDNLGKHZ-UHFFFAOYSA-N 337.379 2.729 0 50 EFAA C[C@H]1CCC[C@@H](CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)C1 328627774 NCGYLIHGKPHGDW-LSDHHAIUSA-N 339.505 2.807 0 50 EFAA CCn1ncnc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 216045251 FEKQBSSQXDDARF-OAHLLOKOSA-N 338.415 2.728 0 50 EFAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(-c3cccnc3)[nH]n1)O2 373552994 YLHFKUZBWZWOOL-QGZVFWFLSA-N 334.379 3.112 0 50 EFAA COc1cccc(SCC(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c1 262368114 KYEZSSOXNWRVGY-AWEZNQCLSA-N 335.425 2.501 0 50 EFAA Cc1cc(N2CC[C@](O)(CN3CCCCC3)C2)c2ccccc2n1 77440720 RGQFIYRDTCDICX-FQEVSTJZSA-N 325.456 2.970 0 50 EFAA O=C(c1ccncc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72162445 RYXXPKYJIVPZKK-VAMGGRTRSA-N 333.435 2.784 0 50 EFAA O=C1CN(C(=O)NCc2cc3ccccc3s2)[C@H]2CCCC[C@@H]2N1 333001301 UZGIZAJIRZJOMR-GJZGRUSLSA-N 343.452 2.854 0 50 EFAA CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cnc2ccccc2c1 333171093 KHSOQMUKOYEGCX-OAHLLOKOSA-N 334.441 2.670 0 50 EFAA O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC[C@@H]1c1cccnc1 333658385 GJRHCBNAQSQDCW-UONOGXRCSA-N 330.400 2.984 0 50 EFAA COc1cccc(-c2ccc(C(=O)N3CCC[C@H](NC(C)=O)C3)o2)c1 215435599 VQUPPZVHFBEKGG-HNNXBMFYSA-N 342.395 2.696 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(Cn2cccn2)cc1 237994612 LTFLCETVXIDISZ-QGZVFWFLSA-N 341.411 2.791 0 50 EFAA O=C(O)C1(n2cccn2)CCN(c2nc3ccccc3s2)CC1 72429998 GQYKYAQBOMWGRE-UHFFFAOYSA-N 328.397 2.573 0 50 EFAA OCc1ccc(-c2nccn2Cc2nc(Cc3cccs3)no2)o1 77406366 LZOQCAYSRFAGPF-UHFFFAOYSA-N 342.380 2.719 0 50 EFAA Cc1cc(C)n(CCN(C)Cc2cc(F)ccc2-n2cccn2)n1 216119229 KGGBQYAEIHSSOM-UHFFFAOYSA-N 327.407 2.957 0 50 EFAA CCc1ccc([C@@H](COC)NC(=O)NC2(c3noc(C)n3)CCC2)o1 175627471 NEZROJWWJKLBGB-CYBMUJFWSA-N 348.403 2.600 0 50 EFAA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCCC1 71767362 CBYUKRSATGENTJ-UHFFFAOYSA-N 349.434 2.578 0 50 EFAA Cc1cc(C)n(-c2cncc(N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)n2)n1 241644500 PRIBNTUFPLVYQL-KBRIMQKVSA-N 327.432 2.529 0 50 EFAA COC(=O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 41149957 PKVBMNVHLQUFKH-UHFFFAOYSA-N 338.367 2.564 0 50 EFAA biogenic Cn1c(CN2CCC3(C=Cc4ccccc43)CC2)nnc1[C@H]1C[C@H](N)C1 223345323 BPMJHPAPMFWXOL-CALCHBBNSA-N 349.482 2.580 0 50 EFAA Cc1cnccc1CN(C)C(=O)NCCCn1ccnc1C(C)C 426403464 FRIJYQLVGOWSBT-UHFFFAOYSA-N 329.448 2.942 0 50 EFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(CO)cc2)C1 92001869 REJGKPJOLFPPEM-HXUWFJFHSA-N 345.439 2.771 0 50 EFAA Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 97527203 HJLJXRSDGHPSSQ-GFCCVEGCSA-N 338.415 2.655 0 50 EFAA Cc1ccc(O)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](N)C2)c1 297220701 OBRHNCQWCYVCCL-RDJZCZTQSA-N 328.387 2.797 0 50 EFAA CC(C)N1CCC[C@@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 95497610 CZNQIMLPUWREEY-MRXNPFEDSA-N 342.443 2.516 0 50 EFAA CC(C)C(=O)N[C@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 238901798 MSUUUUMWMGOARJ-FXPVBKGRSA-N 331.671 2.564 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc2c(cc1OC)CCC2 91445052 BRASTQYDFGPGLB-KRWDZBQOSA-N 344.455 2.657 0 50 EFAA CCNC(=O)CN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 91943598 JLPUSJZDWODVPY-MRXNPFEDSA-N 332.444 2.505 0 50 EFAA Cc1cnc(CNC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)cn1 96165192 HDAUMCHIAGODJS-CYBMUJFWSA-N 339.399 2.622 0 50 EFAA CN(Cc1ccon1)[C@@H](C(=O)O)c1ccccc1OC(F)(F)F 95374848 FFBJQKWTPRJNCR-GFCCVEGCSA-N 330.262 2.831 0 50 EFAA Cc1cccnc1OC1CCN(Cc2nc(N)c3ccccc3n2)CC1 298596784 SBTDAAULGYDZMH-UHFFFAOYSA-N 349.438 2.959 0 50 EFAA O=C(NC1CC1)[C@H](O)C1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 299753591 YSHAGYRPEZDPIZ-RTBURBONSA-N 346.446 2.555 0 50 EFAA COc1cc2c(cc1CNCc1noc(-c3cccs3)n1)OCO2 449549758 AILWLRGKQBJWHA-UHFFFAOYSA-N 345.380 2.825 0 50 EFAA O=C(NCCn1cccc1)N1CCN(C/C=C/c2ccccc2)CC1 362292341 YAKSQWDMURUVLT-RMKNXTFCSA-N 338.455 2.529 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1[nH]c3ccccc3c1Cl)CC2 299774288 BONFXPDJEUKLRX-CDNVCLAFSA-N 348.830 2.966 0 50 EFAA CCc1ccccc1CN1CCn2nc(CNc3cnccn3)cc2C1 299798953 TYVOKOZAFSZETB-UHFFFAOYSA-N 348.454 2.863 0 50 EFAA O=C(NCC[C@@H]1CCCCN1Cc1ccccc1)c1cccc(O)n1 828928391 QTILEGUXXWCCPI-KRWDZBQOSA-N 339.439 2.962 0 50 EFAA CCc1cccnc1C(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 270959928 OHELHHMPSAAEBO-UHFFFAOYSA-N 343.452 2.612 0 50 EFAA C[C@]1(C(F)F)C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 1875310140 GCMSANPTNVRHQY-MKBNYLNASA-N 344.427 2.529 0 50 EFAA CC(C)N(C)C(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 952883043 MGWWQEWSJRKSNH-SNVBAGLBSA-N 333.358 2.610 0 50 EFAA CCn1ccc(C(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)cc1=O 952969374 NBEDSQWWLUJVKZ-CYBMUJFWSA-N 339.395 2.636 0 50 EFAA Cc1nc2ncccn2c1-c1nc(CC(C)C)nn1-c1cccnc1 952868159 ZQZANWANZUKLPI-UHFFFAOYSA-N 333.399 2.879 0 50 EFAA CC(=O)Nc1ccc2nc(CNCc3cccc(CO)c3)ccc2c1 952988364 IDIYFNMPRCAJNZ-UHFFFAOYSA-N 335.407 2.975 0 50 EFAA Cc1cc(C)n(Cc2cccc(-c3noc([C@H](F)C4CNC4)n3)c2)n1 888096951 SLIZJEIUGLFGHU-MRXNPFEDSA-N 341.390 2.828 0 50 EFAA CC(C)(C)OC(=O)[C@@](C)(CNC(=O)N1C[C@H]2C[C@H]2C1)c1ccccc1 889312048 TUXRFRFMXBPVLW-MDOVXXIYSA-N 344.455 2.947 0 50 EFAA O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc2n[nH]cc2c1Cl 1775991970 IBXQETHZHJUSJY-VIFPVBQESA-N 329.809 2.527 0 50 EFAA Cc1[nH]nc(NC(=O)[C@@H]2CC23CCC(N)CC3)c1-c1cccnc1 1775960823 NJUBURJLZYITHD-FVRSWCFKSA-N 325.416 2.626 0 50 EFAA Cc1ocnc1CN(C)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 1775999499 SOBZDFFAHFSIFT-INIZCTEOSA-N 347.846 2.912 0 50 EFAA C[C@]1(c2ccccc2)CC(=O)N(C[C@]23C[C@H]2COC32CCC2)C1=O 1775993364 YZDMXRAJDZKOCX-KFKAGJAMSA-N 325.408 2.662 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)Nc2cn(C)nc2-c2ccccc2)C1 275063603 KAYVUXXDTRZXAM-AWEZNQCLSA-N 327.432 2.503 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)c2cc(C)n(C(C)C)c2C)o1 275388710 PIOTWOZPGMERAH-OAHLLOKOSA-N 332.404 2.591 0 50 EFAA CN(CC1(O)CCOCC1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 186688306 PSPQXTSVRDJJNN-UHFFFAOYSA-N 345.399 2.710 0 50 EFAA CCO[C@@H]1CCN(C(=O)NCc2cccc3c2CCOC3)C[C@H]1C 633501074 PDLSRWAPYWXDLF-RDTXWAMCSA-N 332.444 2.716 0 50 EFAA CCN(C)C(=O)c1cccc(C(=O)N2CCc3cc(OC)ccc32)c1 171555308 DHXUJQFDTSGNHT-UHFFFAOYSA-N 338.407 2.990 0 50 EFAA Cc1ccc(-c2ccc(C)c(NC(=O)N3CCN(CCO)CC3)c2)o1 281104432 SNWZRDGSZUCVHH-UHFFFAOYSA-N 343.427 2.705 0 50 EFAA Cn1c(S)nnc1CCNC(=O)Nc1cc(Cl)cc(Cl)c1 408514253 IJEVWHSVOGPCQF-UHFFFAOYSA-N 346.243 2.775 0 50 EFAA Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 282142756 PZRLKCCLUWSOCN-ARFHVFGLSA-N 342.443 2.502 0 50 EFAA CC[C@]1(C)CN(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)CCO1 225405928 LYOIHLLQITZYAV-VDZJLULYSA-N 334.460 2.752 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2S(=O)(=O)CCC(C)(C)C)c1 225714324 CWGKDKALVBRLHG-HOCLYGCPSA-N 341.473 2.569 0 50 EFAA C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@](C)(O)C1 188501293 VHIXAQSQALVRAK-XHDPSFHLSA-N 346.349 2.639 0 50 EFAA Cc1c(CNC[C@H]2CCC(C)(C)O2)c(=O)n(-c2ccccc2)n1C 189727087 NVHKBSSCNVJEPC-MRXNPFEDSA-N 329.444 2.532 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2cccc(Cl)c2F)C1 644121460 MWTZVFBQNYPWSX-YPMHNXCESA-N 337.782 2.733 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](CC(=O)O)C2)c2ccccc2n1 663023599 WWJHUZTXHVHJNF-LBPRGKRZSA-N 328.368 2.570 0 50 EFAA COC[C@@H](c1ccccn1)N(C)Cc1ccc(OC)c(C(=O)O)c1 1506421352 FNVCYNCIWGHXIM-INIZCTEOSA-N 330.384 2.608 0 50 EFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)C[C@H]1CCCO1 1506398061 ULLTYDYYWIISDP-LLVKDONJSA-N 342.442 2.511 0 50 EFAA O=C1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2F)CCN1 1857530129 KSDUFMBTBGNZLJ-LURJTMIESA-N 349.587 2.706 0 50 EFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccsc2)cc1OC 1529191331 WTSXUZHTTWEUTD-QZTJIDSGSA-N 349.452 2.700 0 50 EFAA CNc1nc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](N(C)C)C2)cs1 212932508 KBSPASXBRYLJPQ-ZBFHGGJFSA-N 344.484 2.663 0 50 EFAA Cc1ccccc1[C@H]1CN(Cc2noc(CC(C)C)n2)C[C@@H]1C(=O)O 216621653 YMPLUZCGZYCWPF-CVEARBPZSA-N 343.427 2.877 0 50 EFAA Cc1ccccc1-n1cc(CNc2ncc(F)c(N(C)C)n2)cn1 1704316279 XHUZXGQXUPVXMP-UHFFFAOYSA-N 326.379 2.788 0 50 EFAA Cn1ccnc1CN1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 11935308 BPYQKZKWFVURES-HNNXBMFYSA-N 339.361 2.882 0 50 EFAA O=C(NCCCc1ccccc1)c1cn(Cc2ccc(F)cc2)nn1 12387000 UDYYYGLDDRCRLY-UHFFFAOYSA-N 338.386 2.828 0 50 EFAA COC(=O)Cc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 13497365 CCGRVBUPSPJKGA-UHFFFAOYSA-N 344.436 2.897 0 50 EFAA COc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 19921043 DODAHQKFKYWPAF-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccccc1 2880867 FIVSFZBGAMRDFZ-UHFFFAOYSA-N 332.425 2.644 0 50 EFAA c1cn(CCCOc2ccc3c(c2)CCOC32CCNCC2)cn1 1857671690 XNJWUOBHJNDYLP-UHFFFAOYSA-N 327.428 2.504 0 50 EFAA CC[C@@]1(C(=O)NCc2cn3c(C)c(C)sc3n2)C[C@@H]2CC[C@H]1N2 1857681964 KNJWAQRVJGJYPV-DXCKQFNASA-N 332.473 2.550 0 50 EFAA Cc1cc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)ccc1F 1857726653 BEFMNHMZDRFOHY-SCTDSRPQSA-N 332.419 2.692 0 50 EFAA Cc1ccc(-c2cc(CN3CCO[C@H]4C[C@H](CO)C[C@@H]43)on2)cc1 1857729812 HGEIFVINNWABAR-CCKFTAQKSA-N 328.412 2.622 0 50 EFAA COc1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1OC 225562431 RKBUSUCZTIAVPK-CYBMUJFWSA-N 344.386 2.852 0 50 EFAA CCc1occc1C(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F 330554766 DVIOIDGZEYHIPP-ZWNOBZJWSA-N 332.322 2.514 0 50 EFAA O=C([C@@H]1CCCN1c1ncnc2sccc12)N1C[C@@H]2CCC[C@H]2C1 245316660 KBZFTDGRDRYHMY-YDHLFZDLSA-N 342.468 2.919 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 345292121 YBCOUYICMWSMJS-HOTGVXAUSA-N 347.361 2.854 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)c1ccc(Cl)cn1)CO2 134742463 QZBNEOOUGZHXEQ-LBPRGKRZSA-N 332.787 2.958 0 50 EFAA O=C(N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)[C@H]1C[C@H]1c1ccccc1 252517848 SSUFBEWHNXIAGC-UBDQQSCGSA-N 326.440 2.744 0 50 EFAA COC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C1CC1 151867537 CKIZGXRTANASIG-QGZVFWFLSA-N 325.412 2.905 0 50 EFAA CN(CCc1ccccn1)[C@H]1CCCN(c2cccc(F)c2)C1=O 153033567 ZIUWDPHBVIUAFQ-SFHVURJKSA-N 327.403 2.891 0 50 EFAA CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1F 161878053 ZIMZJGAMYSYJMT-UHFFFAOYSA-N 330.359 2.934 0 50 EFAA CC(C)N(C(=O)C[C@@H]1CC(=O)Nc2ccccc21)C1CCOCC1 903530756 CAORSFSIVRBHQK-AWEZNQCLSA-N 330.428 2.919 0 50 EFAA CC[C@@H]1CCc2ccccc2N1C(=O)c1nc(OC)cc(OC)n1 903734029 SOQHWRVPDGTETG-CYBMUJFWSA-N 327.384 2.865 0 50 EFAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1 905124714 FCXPHPRMTLSEBY-VZMUKZCBSA-N 342.395 2.554 0 50 EFAA CCn1cc(CC(=O)N2CCCc3c(C)c(F)cc(Cl)c32)nn1 905967480 BGJJGYQCBRCDTA-UHFFFAOYSA-N 336.798 2.921 0 50 EFAA O=C(O)C1CC2(C1)C[C@H](NC(=O)C1(C3CCCCC3)CC1)CCO2 910613160 VFNVVUYZAXEVFK-NSWWBONSSA-N 335.444 2.876 0 50 EFAA Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2ccccc2C2(C)CC2)n1 827706253 UWUKPEVKSXJXDA-LSDHHAIUSA-N 327.384 2.690 0 50 EFAA CC(C)[C@H](NC(=O)Nc1cn(C)nc1C(F)(F)F)c1cnn(C)c1 930813814 JPFMJQYMINDBQC-NSHDSACASA-N 344.341 2.691 0 50 EFAA Cc1nc([C@@H]2CN(C(=O)c3ccsc3C(F)F)CCO2)no1 935291148 AHQZNRBWMUZFTA-VIFPVBQESA-N 329.328 2.591 0 50 EFAA O=C(Nc1ccccc1Br)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169302480 NIUISBBQDJDGKY-WTTBSCSTSA-N 336.185 2.911 0 50 EFAA COc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 582989 LTEXUNWUXNSVLB-UHFFFAOYSA-N 346.770 2.713 0 50 EFAA O=C(c1c(C(F)F)nc2cnccn12)N1CC2(CCSCC2)C1 2325782213 DVNYZDQESXRLGE-UHFFFAOYSA-N 338.383 2.636 0 50 EFAA CC1(C)CCCO[C@H]1CCNC(=O)[C@@H]1CCCN1Cc1ccccn1 2325782774 FDXHLFAOKYJIMV-ROUUACIJSA-N 345.487 2.758 0 50 EFAA Cc1c(NC(=O)c2cc(C[C@@H]3CCCCN3)on2)nc2ccccn12 2325789502 UOWBFGMRTKPCRH-ZDUSSCGKSA-N 339.399 2.568 0 50 EFAA C[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)c1cn(C)c2ccccc12 2325795319 YUKJTEWHRUUCIN-CYBMUJFWSA-N 334.423 2.961 0 50 EFAA O=C(c1cc(O)cc(Cl)c1)N1CCN(C(=O)[C@H]2CC23CCC3)CC1 2325852542 KJQQPINJBWMUAQ-OAHLLOKOSA-N 348.830 2.520 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 100506412 AZXGDECSBDFRMU-JURCDPSOSA-N 331.368 2.549 0 50 EFAA CCOC(=O)c1sc(C)c(C(=O)NCCc2ccccc2)c1N 210165 ODYBZVBNHWUQSP-UHFFFAOYSA-N 332.425 2.788 0 50 EFAA NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl 308471 ZBXPKONSEXRXQU-UHFFFAOYSA-N 333.800 2.566 0 50 EFAA COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2C)nc1C 309437 LHUIGJHAAYJIPJ-UHFFFAOYSA-N 349.437 2.673 0 50 EFAA COc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1OC 618915 CJLHZQGCGMYBNT-UHFFFAOYSA-N 330.409 2.508 0 50 EFAA CCCCN1C=C(C(=O)OC)C(c2ccc(O)cc2)C(C(=O)OC)=C1 2838894 XHWSSEBQIOJNGJ-UHFFFAOYSA-N 345.395 2.705 0 50 EFAA COc1cc2c(cc1-c1ncccc1C(=O)N1CCCC1)OCO2 2356165276 AQIUNWZFZURWRW-UHFFFAOYSA-N 326.352 2.722 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1 4147762 ANMDFSZUHQNBAP-UHFFFAOYSA-N 337.378 2.664 0 50 EFAA CCCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl 4988129 SNNKGKDZWVSKPM-VXGBXAGGSA-N 347.864 2.927 0 50 EFAA Cn1c(CCc2ccco2)nnc1N1CCC(OC2CCC2)CC1 417453050 MWYGGTAYLIUBCH-UHFFFAOYSA-N 330.432 2.731 0 50 EFAA CCNC(=O)[C@@H]1CCN(C(=O)CSCc2ccccc2Cl)C1 55200358 QIWJJYRHPGOWIN-GFCCVEGCSA-N 340.876 2.558 0 50 EFAA O=C(NC[C@@]1(CCO)CCOC1)c1cc(C2CC2)nc2ccccc12 119310441 JGIXMKQONUWTDK-HXUWFJFHSA-N 340.423 2.631 0 50 EFAA COc1ccccc1[C@H]1C2=C(COC2=O)Nc2cc3c(cc21)OCO3 8773050 RCKSBYLQHHJHPP-QGZVFWFLSA-N 337.331 2.792 0 50 EFAA CNc1cc(C(=O)N2CCO[C@@H](Cc3ccccc3Cl)C2)ccn1 20406524 FPUOJSMJPQMSIN-HNNXBMFYSA-N 345.830 2.860 0 50 EFAA CC(C)[C@@H](C)N(C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1 172778850 VFWAPCQFIKJSBQ-WBVHZDCISA-N 343.471 2.969 0 50 EFAA Cc1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c2ccccc2n1 253394797 ASZPSNLZEJVHDV-DFQSSKMNSA-N 326.440 2.905 0 50 EFAA CCc1ncsc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1 282511179 NXCMHMFWSIWOIC-DOMZBBRYSA-N 332.425 2.662 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCN(C)c2ccccc2C1 253425131 AZLHHNFOYQHSEL-AWEZNQCLSA-N 340.427 2.813 0 50 EFAA CCCO[C@@H]1CCCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 215945250 KIKCJEIPFCVZAQ-CQSZACIVSA-N 340.851 2.595 0 50 EFAA O=C(CCC1CCOCC1)N1CCC(Oc2ncccc2F)CC1 329898940 MQHUHNNUPOMDFY-UHFFFAOYSA-N 336.407 2.797 0 50 EFAA c1ccc([C@H](Nc2ccc(N3CCOCC3)cn2)c2ncc[nH]2)cc1 128427880 WCRNMRDZZGFAKY-SFHVURJKSA-N 335.411 2.843 0 50 EFAA c1ccc(-c2noc([C@@H]3COCCN3CCOC3CCC3)n2)cc1 367888019 ACNIJYHHNHROJW-INIZCTEOSA-N 329.400 2.679 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@]2(C1)OCc1ccccc12 368714761 KCEIQGSRJIIOQK-IBGZPJMESA-N 325.412 2.617 0 50 EFAA c1ccc(-c2ncc(CNc3ncnc4c3CCNCC4)s2)cc1 72434555 YTXVVBCJRUQMJS-UHFFFAOYSA-N 337.452 2.900 0 50 EFAA Cc1n[nH]cc1C1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 375374679 ZFJXNSZGBGUYKN-SFHVURJKSA-N 326.444 2.727 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)[C@@H]1CCN(C2CCCCC2)C1 376490591 HLZXEXAXHHIPEJ-CQSZACIVSA-N 329.444 2.747 0 50 EFAA NC(=O)N1CCc2cc(NC(=O)c3cc4ccccc4c(O)n3)ccc21 338092386 PTSKSCKSFYIWPH-UHFFFAOYSA-N 348.362 2.634 0 50 EFAA Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)c1ccccn1 339230089 FCNSFKRKJDXTBS-HNNXBMFYSA-N 325.412 2.969 0 50 EFAA COc1ncccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 77387757 QVAJOIVCSGHDLM-UHFFFAOYSA-N 330.359 2.913 0 50 EFAA CC1(C)CC[C@@H]1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 286819694 ATHHKELXAMKNDK-INIZCTEOSA-N 347.434 2.872 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)Cc3ccc(O)cc3)CC2=O)cc1 82115632 QKEOQMUQRQVKOH-HNNXBMFYSA-N 338.407 2.507 0 50 EFAA O=C(NCC1(CO)CCC1)c1ccc(-c2ccc(CCO)cc2)cc1 426496863 JFXSEFDBBDOKGQ-UHFFFAOYSA-N 339.435 2.781 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 222887233 HYTDYNDVBNGEPD-CQSZACIVSA-N 337.379 2.694 0 50 EFAA O=C(O)Cn1ccc([C@H]2CCCN(CCCOc3ccccc3)C2)n1 426442836 FHUWGTOSIISKQD-INIZCTEOSA-N 343.427 2.616 0 50 EFAA O=C(NCCc1cnccn1)c1cccc(N2Cc3ccccc3C2)c1 220404742 KEBWSVYEWPSGRU-UHFFFAOYSA-N 344.418 2.969 0 50 EFAA COc1cccc2ccc(N3CCC(N4CCC[C@H](O)C4)CC3)nc12 95379924 KCJBOUBGDLMBFC-KRWDZBQOSA-N 341.455 2.669 0 50 EFAA CC(C)N1CCC[C@]2(CCN(c3noc(-c4ccccc4)n3)C2)C1=O 91604835 XOWFOZUJPJDVQW-LJQANCHMSA-N 340.427 2.964 0 50 EFAA CC[C@@H](O)Cn1nc(CC2CCN(C)CC2)nc1-c1ccccc1F 91350469 QBXJLAXDGXBYLY-OAHLLOKOSA-N 346.450 2.739 0 50 EFAA CC(C)n1cccc1C(=O)NCCCc1nnc2n1CCCCC2 179657214 ADKMNRPHEPNYCQ-UHFFFAOYSA-N 329.448 2.750 0 50 EFAA CCN1C[C@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)CCC1=O 91256059 UHKNPPDVQGRKFR-CQSZACIVSA-N 344.386 2.960 0 50 EFAA CCCCc1noc([C@H](C)N2CCC[C@H]2[C@@H]2CCCN2C(C)=O)n1 252477911 XPIKBAMQSNMLIT-BPUTZDHNSA-N 334.464 2.949 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cccc2ncsc12 1940194676 DUMSBKNOQVPOBX-CJNGLKHVSA-N 339.420 2.679 0 50 EFAA CN(C)c1ccc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)cn1 828163278 PRTRXEFDDNMWDI-HNNXBMFYSA-N 344.484 2.604 0 50 EFAA COCC1(CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)CCC1 824347375 ZLZVBFJUDZCAQR-UHFFFAOYSA-N 344.459 2.872 0 50 EFAA CN(C)CC[C@@H](NC(=O)N1CC(c2ccccn2)C1)c1ccccc1 584898410 CWARKSCGLLHOTI-LJQANCHMSA-N 338.455 2.883 0 50 EFAA Cn1cnc(C(=O)NC2CCCCC2)c1C(=O)NC1CCCCC1 670429246 BMMQJVKCGDDAFJ-UHFFFAOYSA-N 332.448 2.545 0 50 EFAA Cc1cc(C(=O)NCc2n[nH]c3c2CCCCC3)c2c(C)noc2n1 670468408 ARJMPIMMWGTPJV-UHFFFAOYSA-N 339.399 2.762 0 50 EFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cccc2c1CCC2=O 670437003 BLQQLOBUWSTJGZ-OAHLLOKOSA-N 348.446 2.992 0 50 EFAA OCc1ccc(CN2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cc1 685940823 JEXILAQFLFMIKS-PXNSSMCTSA-N 339.439 2.993 0 50 EFAA O=C(c1cccc2c1OCC2)N1CC[C@H](c2ccccc2)S1(=O)=O 1875283912 HKXOJGXNYQYIOI-MRXNPFEDSA-N 343.404 2.539 0 50 EFAA CC(C)C1(O)CCC(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)CC1 1875299952 CWWISZWMPIEESS-NMGBHAPFSA-N 349.475 2.502 0 50 EFAA Cc1ccc(F)c2c1CCN(C(=O)c1nnc(-c3ccns3)o1)C2 1875290823 DTUCDKCUZRZKKA-UHFFFAOYSA-N 344.371 2.839 0 50 EFAA Cc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c2ccnc-2[nH]1 1875342081 XAHYZSWDKTYIHL-CXAGYDPISA-N 349.438 2.611 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCCc2c1cnn2C1CCCC1 1875370468 PTDLNGCCPGNYQE-INIZCTEOSA-N 344.459 2.526 0 50 EFAA CC(C)(C)OC(=O)c1cc(N2C[C@H]3CCOC[C@H]3C2)c(C2CC2)nn1 1875320959 OXEVKWGLHIBNHD-ZIAGYGMSSA-N 345.443 2.782 0 50 EFAA COC1(OC)CCN(C(=O)Nc2c(C)cc(C)cc2Cl)C[C@H]1O 952993767 QQJHZNRHRIHODY-CYBMUJFWSA-N 342.823 2.544 0 50 EFAA CCn1ccc(NC(=O)NCc2ccc(F)nc2Br)n1 952993886 SWUMXHAUXQVHRR-UHFFFAOYSA-N 342.172 2.521 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](c2cccnc2)C(C)C)nc(O)n1 952975272 SPXZJRXTKZVFBI-INIZCTEOSA-N 328.416 2.903 0 50 EFAA C[C@@H](c1c(F)cccc1F)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 888098593 ITWKDJOSVKFOQR-JTQLQIEISA-N 334.370 2.727 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cccc3[nH]ncc23)C1 888103095 GERMNWBBXVFXCB-WBMJQRKESA-N 339.399 2.505 0 50 EFAA O=C(NCc1cn2ccccc2n1)N[C@@H]1CCOC12CCCCC2 891561220 KFPWEASFSCAIDM-OAHLLOKOSA-N 328.416 2.625 0 50 EFAA Cn1ncc2c(N3CCC(c4nc5c(s4)CCC5)CC3)ncnc21 896232318 WHPDYHDLAGZHMY-UHFFFAOYSA-N 340.456 2.693 0 50 EFAA C[C@H]1CCN(c2nnc(-c3ccccn3)s2)C[C@H]1n1ccnc1 273724208 HDDMZPCDRSSIOV-GXTWGEPZSA-N 326.429 2.884 0 50 EFAA COc1cccc([C@@H](C)C(=O)NCc2ccnc(-n3cccn3)c2)c1 170591573 FSHWJYPRVZIFJK-CQSZACIVSA-N 336.395 2.696 0 50 EFAA CC1(C)[C@@H]2C[C@@H]1CC=C2CCOC(=O)Cc1nc2ncccn2n1 170623517 KOPDKXDFXWITPH-UONOGXRCSA-N 326.400 2.593 0 50 EFAA Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ncccn2)c(C)c1 639841620 YBSOGRNVCIEGOC-IRXDYDNUSA-N 327.428 2.670 0 50 EFAA Cn1nccc1CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225574479 OSKSUQFUUGHJKT-CVEARBPZSA-N 339.361 2.789 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2C)c1 225715244 IJHVOMAVHKBOJS-NVXWUHKLSA-N 347.436 2.500 0 50 EFAA CCn1ccc(CC(=O)N2CCC(c3nc(C)c(C)s3)CC2)n1 650091482 ZXMWDRKIWYSZGE-UHFFFAOYSA-N 332.473 2.925 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 193934198 CEDKUYHQZFRHQX-UHFFFAOYSA-N 326.444 2.616 0 50 EFAA CCS(=O)(=O)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 195158282 KFCULNVRGCGBPP-UHFFFAOYSA-N 337.485 2.799 0 50 EFAA C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)[C@]2(C(=O)O)CC=CCC2)C1 653284876 XKYSLRXGJKTHPD-OLMMMNRUSA-N 334.460 2.661 0 50 EFAA CO[C@H](C)CS(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 195423430 AKMNMRXUZRDQMU-HIFRSBDPSA-N 339.457 2.777 0 50 EFAA O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@@H]1c1ccsc1 654638171 WLFIKUBOLBDTDE-OLZOCXBDSA-N 347.444 2.764 0 50 EFAA O=C1c2ccccc2S(=O)(=O)N1c1ccccc1Br 610971 CGABIVHLIOXBQG-UHFFFAOYSA-N 338.182 2.798 0 50 EFAA O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccccc1 619452 YJIKMFQKVPBPIZ-UHFFFAOYSA-N 331.437 2.713 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1csc2c1CCCC2 1704309777 SKDYWMIJJMCBCD-UHFFFAOYSA-N 346.500 2.862 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 215621061 XBHXQLLIEBPCMH-JTQLQIEISA-N 337.272 2.645 0 50 EFAA COCCN1CCC[C@@]2(CCN(Cc3cc(C)ccc3C)C2)C1=O 12202545 NUPVXNPTXLFKBK-FQEVSTJZSA-N 330.472 2.764 0 50 EFAA Cn1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 12365969 NKLYLAWZYMAIJY-MRXNPFEDSA-N 337.420 2.865 0 50 EFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CCOC3)CC2)c1 12748979 AFOFJIPHMIMOHN-KRWDZBQOSA-N 344.455 2.989 0 50 EFAA O=C(N[C@@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccncc1 169753324 MEMLXCFKIFUNMK-QGZVFWFLSA-N 347.422 2.871 0 50 EFAA S=C(c1c[nH]c2ccc(Br)cc12)N1CCOCC1 3005321 JHZJVEYUYCRPGZ-UHFFFAOYSA-N 325.231 2.938 0 50 EFAA O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)Nc2ccc(Cl)cc21 4870349 BLVJEXZXEYKDSX-FZKQIMNGSA-N 327.767 2.925 0 50 EFAA COc1ccc2cc(-c3nccn3-c3cccnc3O)c(O)nc2c1 1857690177 DJOOQKKVZWJRFB-UHFFFAOYSA-N 334.335 2.902 0 50 EFAA COc1cc(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)ccc1OCC(C)C 1857693126 JDSGNLUKRZNMIB-DOTOQJQBSA-N 346.471 2.925 0 50 EFAA CCc1nnc(SCC(=O)NCc2ccc(F)cc2)n1C1CC1 252481693 CQMURILHCVHMEU-UHFFFAOYSA-N 334.420 2.723 0 50 EFAA Cc1ccc(OCc2nc(CC(=O)N(C)C3(CO)CC3)cs2)cc1 408516713 QYYCINBAENFHIX-UHFFFAOYSA-N 346.452 2.556 0 50 EFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](N)C[C@H]1C 408519145 GSDZEHGTFQMXQY-NTZNESFSSA-N 341.249 2.555 0 50 EFAA CCCN(C(=O)c1cnn2ccncc12)[C@@H]1C[C@H](OCC)C1(C)C 329657226 NBTUVEMDPQHMEO-CVEARBPZSA-N 330.432 2.785 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)CCC(=O)N2 392928817 JHCMMGZDKFTRBO-MRXNPFEDSA-N 340.427 2.613 0 50 EFAA Cc1ccn2ncc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)O)C3)c2c1 909495286 PIQWIEQHZUZCKN-CYBMUJFWSA-N 329.400 2.606 0 50 EFAA Cn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nc1O 821038228 JWDVIWZBEKCXAP-UHFFFAOYSA-N 339.317 2.949 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCc2c(ncn2CC)C1 933264487 XTKLDLVGTIRYMQ-KRWDZBQOSA-N 342.443 2.687 0 50 EFAA O=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)c2occc12 935346495 NYPKGEHUNPBCFI-UHFFFAOYSA-N 344.802 2.987 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3)C2=O)cc1 294752 ZYJWUGQALZFVEX-SFHVURJKSA-N 338.407 2.550 0 50 EFAA C[C@@H]1CCC[C@H]1CC(=O)NCC[C@](O)(c1ncco1)C(F)(F)F 2325784294 QPBXRIKKGPQSAW-SUNKGSAMSA-N 334.338 2.757 0 50 EFAA O=C(O)C1CC2(CCN(Cc3ccc(N4CCCC4)nc3)CC2)C1 2325787395 YPFQCZBGHWXCEC-UHFFFAOYSA-N 329.444 2.759 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)[C@H]2Cc3ccccc3CO2)C(=O)O)c1 851607189 VNVBNTGPSJLLNI-MSOLQXFVSA-N 339.391 2.687 0 50 EFAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)cc1 2896461 KGGQQAQHEMCAKI-OAHLLOKOSA-N 347.436 2.907 0 50 EFAA COc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 4271632 FVXDMCLIXYBLHJ-UHFFFAOYSA-N 325.412 2.875 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 6742433 ZYTSDKBXFBEUHB-ZJUUUORDSA-N 325.386 2.754 0 50 EFAA Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl 8240404 MTXWTFDAZOSJFY-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA Cc1ccc2ncc(C(=O)N3CCC[C@]4(CC=CCC4)C3)c(=O)n2c1 114441002 KROYPNSYMJYYGU-HXUWFJFHSA-N 337.423 2.965 0 50 EFAA O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccccc3)c12 9530430 MUZQFWVTSYPOQI-UHFFFAOYSA-N 343.386 2.995 0 50 EFAA O=C(NCCCc1ccccn1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 178570688 ITNCHVZOVROIFT-ZWKOTPCHSA-N 343.471 2.559 0 50 EFAA Cc1[nH]cnc1CN1CCC[C@@H](CCNC(=O)NC2CCCC2)C1 67895251 AASOUPRUADELER-HNNXBMFYSA-N 333.480 2.562 0 50 EFAA O=C(NCC[C@H]1CCCN(C2CCCCCC2)C1)C1CCNCC1 67842355 YYLDMWJAILONOZ-QGZVFWFLSA-N 335.536 2.927 0 50 EFAA COc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(C)c2ccccc21 20064229 FOTLXRGULOUVND-HXUWFJFHSA-N 333.391 2.542 0 50 EFAA biogenic C[C@@H](NCCc1nnc2n1CCCCC2)c1ccc([S@@](C)=O)cc1 126658578 GYLHGNDJHOPCAQ-SHACYNPGSA-N 346.500 2.635 0 50 EFAA COc1cc2nc([C@H]3COc4ccccc4O3)nc(O)c2cc1OC 365986823 HISDEJRUPJAMSK-MRXNPFEDSA-N 340.335 2.865 0 50 EFAA COCc1ncsc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C 425612270 UMBVTKWMFFBVNO-AWEZNQCLSA-N 345.468 2.813 0 50 EFAA CCN(CC)Cc1nnc2sc(-c3cc(OC)cc(OC)c3)nn12 61722129 OOQLHKMCJDWPBI-UHFFFAOYSA-N 347.444 2.712 0 50 EFAA CCc1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc(N(C)C)n1 65434161 RGZBMVGEKZBLGI-LBPRGKRZSA-N 348.472 2.682 0 50 EFAA Cn1ccnc(N2CCC[C@H](N[C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)c1=O 328645206 SCPHJIVNAUVKBI-YVSFHVDLSA-N 344.503 2.554 0 50 EFAA CCOc1ccccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1 328629760 IQFXCUVYHXYEBH-QGZVFWFLSA-N 326.444 2.582 0 50 EFAA CC(=O)c1cccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 39404933 XQJIEPDZCCXCRQ-LJQANCHMSA-N 332.488 2.804 0 50 EFAA O=C(NCc1ccsc1Br)N[C@@H]1CCCC[C@H]1O 283408834 QVAIUVPKPRZUCQ-NXEZZACHSA-N 333.251 2.613 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccc2)c2cccnc12 140397 UPPWEEIDGQQZNE-UHFFFAOYSA-N 328.393 2.722 0 50 EFAA CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 555599 KHMQBDIEJQOXHO-UHFFFAOYSA-N 346.452 2.553 0 50 EFAA Cn1ncc2c(NCc3ccnc(OC4CCOCC4)c3)ccnc21 283776799 PQVXHOQDIAQDBN-UHFFFAOYSA-N 339.399 2.533 0 50 EFAA Cc1nsc(N2CCN(Cc3cccc4cccnc34)CC2)n1 174675910 KKJGNSXHEKTIGQ-UHFFFAOYSA-N 325.441 2.717 0 50 EFAA Clc1cc(N2CCCO[C@H](Cn3cccn3)C2)nc2[nH]ccc12 72130861 BYEIWZSYHGJVDI-LBPRGKRZSA-N 331.807 2.708 0 50 EFAA CN1CCN(C(=O)C2(N3CCCC3)CCCC2)C[C@@H]1c1ccccc1 215555564 XWXWTCKBECOOEH-LJQANCHMSA-N 341.499 2.910 0 50 EFAA CCc1cc(NCCSc2nc(C)n[nH]2)n2nc(C)c(C)c2n1 72428674 PEKGTDNATBXOQX-UHFFFAOYSA-N 331.449 2.539 0 50 EFAA Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@](O)(CO)C1 72170026 AFUMMKVGVZFUQR-FQEVSTJZSA-N 325.408 2.621 0 50 EFAA COc1c[nH]c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1=O 71730351 ABSPSXGZPKKUFC-KRWDZBQOSA-N 334.803 2.610 0 50 EFAA COc1ccc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c(C)c1 285390245 SOYVREVHGNRSHZ-UHFFFAOYSA-N 325.368 2.999 0 50 EFAA Cc1ccc2[nH]c(CCCNC(=O)[C@H](C)n3cccn3)nc2c1C 219380238 IIPVKSLICXBFLB-AWEZNQCLSA-N 325.416 2.686 0 50 EFAA Cc1nc(C)n([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 375798100 WUANLHVOXNTVPH-MRXNPFEDSA-N 328.416 2.503 0 50 EFAA O=C1CCCN1C1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 71753570 OJHZPWIVYHEMOM-UHFFFAOYSA-N 338.455 2.518 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 262766908 KXFNBCLYPTVYTD-CXAGYDPISA-N 340.379 2.678 0 50 EFAA CC(C)(C)c1nsc(NC2CCN(C(=O)c3ccncc3)CC2)n1 158933896 GARQCEDKANNVBX-UHFFFAOYSA-N 345.472 2.947 0 50 EFAA Cc1c[nH]cc1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 496110815 YRPMOOCDNPRMAF-UHFFFAOYSA-N 333.432 2.796 0 50 EFAA COC(=O)Nc1cc(NC(=O)c2snnc2C2CC2)ccc1F 242339048 ZELVCEWMPAFSAT-UHFFFAOYSA-N 336.348 2.985 0 50 EFAA CNc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)ccn1 77556116 GTROANZMVPSSSI-INIZCTEOSA-N 327.432 2.713 0 50 EFAA COc1ccnc(N2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)n1 72149139 HCCITLAURRYPBZ-AWEZNQCLSA-N 344.415 2.583 0 50 EFAA CCNc1nc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cs1 176998942 FKLZYBNHBPSPIT-UHFFFAOYSA-N 330.413 2.736 0 50 EFAA CC[C@H](NS(=O)(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 17070948 XGVJEEPYQYJEOO-AIWVUANBSA-N 337.489 2.693 0 50 EFAA O=C(Cn1cc(-c2ccccc2)nn1)Nc1nc2c(s1)CCCC2 177749012 NYWNXFJPLSBQBY-UHFFFAOYSA-N 339.424 2.919 0 50 EFAA Cc1nn(CCC(=O)NCc2nc3ccc(F)cc3[nH]2)c(C)c1C 221276856 ZMTLUCYEZVFWJK-UHFFFAOYSA-N 329.379 2.530 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)n1C 291325587 VCWSIVUMJQTEGL-HXUWFJFHSA-N 326.440 2.791 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(C)n(C)c2C)n1 222488222 UWQXOLCXXKAXMR-UHFFFAOYSA-N 340.349 2.732 0 50 EFAA CC[C@@H](C)[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C)C(=O)O 334160838 NJBVEHFDIDGBRB-QLJPJBMISA-N 347.390 2.682 0 50 EFAA C[C@H](NC(=O)N1CCC2(CCC(=O)N(C)C2)CC1)c1ccccc1 92077773 ZFYVRQWBHVLXAQ-HNNXBMFYSA-N 329.444 2.792 0 50 EFAA Cc1cc2ccccc2n1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2 91445135 CMNMXBLDYGNHPZ-SJLPKXTDSA-N 325.456 2.892 0 50 EFAA Nc1cnc(-c2ccc(C(=O)NCCCC[C@H]3CCCO3)cc2)cn1 426361261 KIECVQBFJQAYCS-INIZCTEOSA-N 340.427 2.805 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 91476367 MSURYJTXTDHIDO-OAHLLOKOSA-N 345.374 2.605 0 50 EFAA CCOC(=O)c1c(N)sc2c1CN(C(=O)OC(C)(C)C)CC2 95743273 INAGTRLHTMQLSC-UHFFFAOYSA-N 326.418 2.800 0 50 EFAA O=C(c1ccncc1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91425350 SXFZESZPJQLFFM-SFHVURJKSA-N 347.422 2.741 0 50 EFAA CCOc1ncccc1C(=O)N1CC(Oc2ccccc2CC)C1 91350467 RWDSRFODNICXOE-UHFFFAOYSA-N 326.396 2.946 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)N3CCOC[C@@H](CN(C)C)C3)c(C)c2c1 91914533 DVIOBJLJOZWDNG-INIZCTEOSA-N 343.471 2.743 0 50 EFAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)C(=O)c1ccco1 244708228 KPUJKEVXYVIQSE-INIZCTEOSA-N 326.396 2.806 0 50 EFAA CCCCc1noc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)n1 183543168 YDZDJGWVFPSGNC-MRXNPFEDSA-N 348.834 2.739 0 50 EFAA Cc1cccc(-c2noc(CN(C)Cc3noc(C4CC4)n3)n2)c1 244723934 MKNHFURZYGHXSN-UHFFFAOYSA-N 325.372 2.937 0 50 EFAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)C1=Cc2ccccc2OC=C1 253390007 YCFZALYWMZXYQF-QAQDUYKDSA-N 336.395 2.868 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N[C@H](CC(=O)O)CC(C)C 252488415 IRMCLPHBQXEHQN-AWEZNQCLSA-N 331.416 2.740 0 50 EFAA Cc1ccc2nc(CCCNC(=O)c3c(C)ncn3C)[nH]c2c1C 534633676 GRIRMHKMHQJQRY-UHFFFAOYSA-N 325.416 2.584 0 50 EFAA Cc1nc(C)c(C(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)[nH]1 534632944 DGJIOPPYQPWVLT-NSHDSACASA-N 325.372 2.876 0 50 EFAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCCC[C@H]1c1nccs1 264103028 FWBKAAVVBXGJMX-ZDUSSCGKSA-N 340.408 2.747 0 50 EFAA COc1cnc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1O 299769249 LCSDBVWSCFQULK-LJQANCHMSA-N 326.396 2.990 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCc3cnc4c(c3)CCC4)C2)n1 584904010 DBEIMIQPHFNBEF-KRWDZBQOSA-N 339.443 2.540 0 50 EFAA C[C@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCCCC1 827627970 CQFOVUSKWOKCSR-MRXNPFEDSA-N 326.444 2.933 0 50 EFAA CCCOc1ccc(C(=O)N2CC[C@H](C(=O)O)C2)cc1OCCC 269174711 JFZBUKIBUIZZGF-AWEZNQCLSA-N 335.400 2.811 0 50 EFAA CN1C(=O)C[C@H](C(=O)NCCc2nc3ccccc3o2)c2ccccc21 584898954 GAGJABYHSCOGSS-AWEZNQCLSA-N 349.390 2.637 0 50 EFAA O=C(NCCCSCc1ccc(F)cc1)N1CCc2n[nH]cc2C1 584893137 AUBIMXOODZOOGA-UHFFFAOYSA-N 348.447 2.940 0 50 EFAA CC(C)c1ccccc1NC(=O)CN1CC[C@@H](O)[C@]12CCSC2 1875267327 UYHRGEOIRXMNGD-SJLPKXTDSA-N 334.485 2.691 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(F)cc(F)cc4C3)n[nH]c21 1875293353 NEHFIIOWKLLDIG-ZJUUUORDSA-N 347.365 2.909 0 50 EFAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)CCCC2 1875293892 GURMVYDIOQSVKO-GOSISDBHSA-N 348.450 2.628 0 50 EFAA O=C(N[C@H]1CCc2ccccc2C1)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875346066 ROCKHNZMHQGBHR-HKUYNNGSSA-N 338.382 2.992 0 50 EFAA Cn1c(C(=O)N2CCCC[C@H]2Cn2ccnn2)cc2ccsc21 1875306362 BNJNWALQPVNDMG-ZDUSSCGKSA-N 329.429 2.526 0 50 EFAA CN1CC[C@H](c2nc(-c3ccncc3)nn2-c2ccccc2)CC1=O 1875347630 AJEKIFMZAJUSGI-HNNXBMFYSA-N 333.395 2.665 0 50 EFAA CCO[C@@]1(c2nnc(-c3c(F)ccc(OC)c3F)o2)CCOC1 886082201 KHFJVFHXMAQTIM-HNNXBMFYSA-N 326.299 2.676 0 50 EFAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccncc2Cl)cn1 888095121 QFXFZASRXMGHIL-LSDHHAIUSA-N 334.807 2.681 0 50 EFAA CN(C)c1ncnc2c1CN(Cc1cccc(OC3CC3)c1F)CC2 888102290 JNGOHJGBRIIEPC-UHFFFAOYSA-N 342.418 2.781 0 50 EFAA CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cnc3[nH]cncc2-3)n1 1775994765 BMTFZAJQGKZRRM-UHFFFAOYSA-N 344.375 2.719 0 50 EFAA CCCn1cc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c(C)n1 1775989613 CULAOGAXEMFLEJ-UHFFFAOYSA-N 341.864 2.875 0 50 EFAA CCOP(=O)(Cc1ccc(S(=O)(=O)N(C)C)s1)OCC 1776004267 OBUUSIBPENVZCP-UHFFFAOYSA-N 341.391 2.765 0 50 EFAA Oc1cc(N2CC[C@H](Nc3cccc(Br)c3)C2)ncn1 1776007126 HZEFGXKKOVQZPS-LBPRGKRZSA-N 335.205 2.636 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)ncn2C 275292836 LXSABFFMBKEGSO-KXBFYZLASA-N 339.443 2.543 0 50 EFAA CCOC(=O)[C@]1(C(C)C)CCN(c2ccccc2S(C)(=O)=O)C1 277849305 KEFXMHAFEBXPPN-QGZVFWFLSA-N 339.457 2.506 0 50 EFAA Cn1cc(N2CCC[C@@H](Sc3nncc4ccccc34)C2=O)cn1 170595999 NNNQZJTYXBMDQO-OAHLLOKOSA-N 339.424 2.651 0 50 EFAA CO[C@@H](C)CS(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1 170616456 RYKOCYRAEWKIAE-JTQLQIEISA-N 325.352 2.502 0 50 EFAA Cc1nc(CC(=O)Nc2cc([C@H]3CCCOC3)nn2C)c(C)s1 279334354 NSKRKHFRVXZXAS-LBPRGKRZSA-N 334.445 2.569 0 50 EFAA CO[C@]1(C)CCCN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 281167837 XGCUVBHFLFQYSZ-GXTWGEPZSA-N 348.369 2.624 0 50 EFAA O=S(=O)(CC[C@H]1CCc2ccccc21)N1CC[C@H](n2cccn2)C1 641506264 YLXMJCDKIPXWRS-SJORKVTESA-N 345.468 2.580 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(N2CCCC2=O)cc1 221709102 ZYURVULZFXYSKK-BMGDILEWSA-N 343.471 2.769 0 50 EFAA O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)C1=COCCO1 110274849 OFAOWEVKLFURMA-UHFFFAOYSA-N 343.427 2.714 0 50 EFAA COc1c(C)cnc(CN2CCC[C@H]2c2ccc(N(C)C)nn2)c1C 643730245 RFRIKIUKHJAEIF-KRWDZBQOSA-N 341.459 2.900 0 50 EFAA CC(C)C1CCC(N2CCN(CCN3CCO[C@@H](C)C3)CC2)CC1 192755206 UMELZGGETZQURT-HDYDNRTBSA-N 337.552 2.540 0 50 EFAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 653327945 BNXPWFWOJMLESD-FGTMMUONSA-N 337.375 2.730 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Cc1n[nH]c2ccccc12 1506401466 ICRZLTSOKGFEJX-QGZVFWFLSA-N 348.450 2.621 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCc3ccc(Cl)cc3)C[C@@H]2CC1=O 1529159304 SOTOHUAWQGMDOM-HLLBOEOZSA-N 348.874 2.988 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1O 1704340240 QUAOXWLUFMBTDJ-YOEHRIQHSA-N 343.370 2.726 0 50 EFAA COc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1 401002 UECJBCNPHNDPHG-UHFFFAOYSA-N 332.429 2.744 0 50 EFAA O=C(c1ccncc1Cl)N1CCCN(c2ccncc2F)CC1 1772807938 CZNAORQBCFRSHS-UHFFFAOYSA-N 334.782 2.622 0 50 EFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cccc3c2OCO3)C1 11842037 KJJBMLVJJODFFI-LJQANCHMSA-N 349.427 2.597 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1cccnc1 11938083 AKWFUXBZJPDAGM-LJQANCHMSA-N 347.422 2.870 0 50 EFAA COCCC(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 11968738 NTJFNQWOLASDFF-HNNXBMFYSA-N 326.396 2.513 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 13670783 CZMZVBOPGYWWDN-LBPRGKRZSA-N 330.409 2.650 0 50 EFAA Cc1cc(Br)c2c(c1)[C@](O)(N1CCC[C@@H](C)C1)C(=O)N2 169679144 XGPJWGZOPHUJPO-RFAUZJTJSA-N 339.233 2.587 0 50 EFAA Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1 4735849 JSKRYOMKROEMEE-UHFFFAOYSA-N 326.381 2.977 0 50 EFAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N[C@@H]1CCS(=O)(=O)C1 71901376 UNTJPAVOPDLRKY-OAHLLOKOSA-N 342.420 2.566 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cscn1)CC2 1857679384 JRRUZVASTLWZRA-UHFFFAOYSA-N 338.436 2.785 0 50 EFAA O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCn2nccc2C1 1857713417 IAXSTUHUCVLEGM-LLVKDONJSA-N 339.317 2.661 0 50 EFAA CCc1c(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cnn1CC(C)C 120281918 KOEOYDPXUWQTQW-MSOLQXFVSA-N 342.443 2.881 0 50 EFAA Cn1cnnc1-c1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 120523013 FENUQULCJDYVHU-UHFFFAOYSA-N 344.378 2.920 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(CN)o1 237534450 VTYMILATHKNTHO-BDJLRTHQSA-N 334.803 2.994 0 50 EFAA O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](F)C[C@H]1CO 347405229 IFEWSGOUXUQGKK-IUCAKERBSA-N 325.689 2.904 0 50 EFAA O=C(c1cccs1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 252502163 UNBWRILELJSPQA-AWEZNQCLSA-N 340.408 2.543 0 50 EFAA Cc1oc(CN(C)C(=O)c2cc3c(s2)CCOC3)cc1C(=O)O 262099324 HHJYRVBUQRUSSY-UHFFFAOYSA-N 335.381 2.693 0 50 EFAA COC[C@@H](C)C(=O)NCCc1c[nH]c2ccc(Br)cc12 390834102 RVXVIYLYISFNLY-SNVBAGLBSA-N 339.233 2.872 0 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330.432 2.686 0 50 EFAA Cc1ncc(C(=O)N(CCC(=O)O)Cc2cccc(F)c2F)s1 178155373 LDHBTTUYLMZVIV-UHFFFAOYSA-N 340.351 2.847 0 50 EFAA CCCN1CCC(CCNC(=O)N(C)[C@@H](C)c2nc(C)no2)CC1 426474391 RKTXLLCUYZELBE-ZDUSSCGKSA-N 337.468 2.593 0 50 EFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2ccnn2)ccc1F 426373847 QMPULQTUNFXLNW-MUJYYYPQSA-N 328.391 2.663 0 50 EFAA CCN1C[C@@H](CNc2ccc(-c3nc(CC(C)C)no3)cn2)CC1=O 19812163 RZPHIOFCCXXYHC-CYBMUJFWSA-N 343.431 2.610 0 50 EFAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 178678408 HCGOSHKFEFNGOF-ZDUSSCGKSA-N 340.427 2.902 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCCOCc1ccccc1)CC2 426698453 PHMLNFHAYHITIV-CMKODMSKSA-N 347.455 2.514 0 50 EFAA O=C1NCCCN(CC2=Cc3ccccc3OC2)[C@@H]1Cc1ccccc1 293670703 OVNQYVUPJOVICC-HXUWFJFHSA-N 348.446 2.896 0 50 EFAA O=C1C[C@H](C(=O)NCCOCc2ccccc2)C2(CCCCC2)O1 97609959 SPXIWQSMFLTHKF-MRXNPFEDSA-N 331.412 2.585 0 50 EFAA CCc1ccc(-c2cn(Cc3ccccc3-n3cncn3)nn2)nc1 92038735 RPYYSRGANOARBS-UHFFFAOYSA-N 331.383 2.532 0 50 EFAA 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2.640 0 50 EFAA O=C(OC[C@@H]1[C@@H](O)CCCN1C(=O)c1ccccc1)c1ccccc1 401598 FFJXGKSTRCOJDS-MSOLQXFVSA-N 339.391 2.509 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1 460369 XBVXLISEJNCEJS-UHFFFAOYSA-N 348.424 2.634 0 50 EFAA O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](O)C[C@@H]1C1CC1 1772811462 WRSOCNFCLGHUBL-TZMCWYRMSA-N 349.374 2.629 0 50 EFAA CCN(Cc1c(C)nn(C)c1C)C(=O)c1cnn2cc(C)ccc12 1772709403 HIZMDRPMGTZIHW-UHFFFAOYSA-N 325.416 2.655 0 50 EFAA COC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 12406105 OTOJRLWAXBCNSA-UHFFFAOYSA-N 332.400 2.595 0 50 EFAA O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC1CCCCCC1 16527265 AIWPJKMWJWQDRS-HZPDHXFCSA-N 332.444 2.557 0 50 EFAA c1ccc(CN2CCC(N3CCC[C@@H](N4CCCC4)C3)CC2)nc1 19771313 QSULKUWQBJYFRH-HXUWFJFHSA-N 328.504 2.606 0 50 EFAA COc1cccc(OC[C@@H](O)CN[C@H](C)CC(C)(C)SC)c1 19884550 VCGPUPUUSGONAO-KGLIPLIRSA-N 327.490 2.945 0 50 EFAA Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)cc1 169765936 USAPBWBTDPSHNN-LJQANCHMSA-N 349.434 2.937 0 50 EFAA CC(C)(C)NC(=O)CSc1nnnn1-c1cccc2ccccc12 4821128 JKUHRUBQBXAJNO-UHFFFAOYSA-N 341.440 2.822 0 50 EFAA CCC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1 4865977 VFSWZKHLINGRFR-UHFFFAOYSA-N 337.851 2.993 0 50 EFAA CCc1nnc(CN(C(=O)c2nc3ccccn3c2C)C(C)C)o1 1857668856 CYFAPGNALNSMHR-UHFFFAOYSA-N 327.388 2.639 0 50 EFAA COc1cc(-c2nccn2CCc2noc(C3CCC3)n2)ccn1 1857685189 QCUFLQDSBVKQLZ-UHFFFAOYSA-N 325.372 2.847 0 50 EFAA O=C(CCC(F)(F)F)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857687729 BMTFGRXMMXCNRL-SOUVJXGZSA-N 342.361 2.660 0 50 EFAA CC1(C)CN(C(=O)c2snnc2C2CC2)C[C@H](C(F)(F)F)O1 329306870 YBAXMLWKRLBLKB-MRVPVSSYSA-N 335.351 2.597 0 50 EFAA Cc1cc(NC(=O)N2CC[C@H](O)CC(C)(C)C2)n(-c2ccccn2)n1 333852267 PRQCHWVLYFRREK-AWEZNQCLSA-N 343.431 2.591 0 50 EFAA COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c(F)c1 239654027 BMHUGSIRXGXVSO-UHFFFAOYSA-N 345.421 2.784 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 136117721 CLCIXUXLZMRSTG-LBPRGKRZSA-N 325.792 2.822 0 50 EFAA COc1cc([C@@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC 22028463 AEBSPPODFOQFNP-LJQANCHMSA-N 342.439 2.707 0 50 EFAA in-vitro O=C(CC1CCOCC1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 378335266 FSIDKWYWYZTXGE-SFHVURJKSA-N 337.847 2.663 0 50 EFAA CCOc1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1 264623730 MCBNSWVDCFFIFY-SFHVURJKSA-N 338.407 2.963 0 50 EFAA CCc1oc(C(=O)O)cc1CN1CCOC[C@H]1CC1CCOCC1 903960824 BXTGNKHWTAXSOV-OAHLLOKOSA-N 337.416 2.558 0 50 EFAA O=C(O)c1cnc([C@@H]2CCN(Cc3noc4c3CCCC4)C2)s1 903924164 JHXUWLUKIMMCAY-SNVBAGLBSA-N 333.413 2.698 0 50 EFAA CC(C)(C)CC[C@H](N)CN1CCn2c(nnc2-c2ccccc2)C1 904326556 MQZLYPHDXPMMHF-INIZCTEOSA-N 327.476 2.914 0 50 EFAA CCc1nc(CC(=O)N2CC(=O)Nc3cc(F)c(F)cc32)cs1 906250224 GOUYLKNPBTWNCF-UHFFFAOYSA-N 337.351 2.512 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC[C@H](C)C2CC2)(c2ccccc2)CC1 847387407 QIMBNXOFQKDHHE-INIZCTEOSA-N 340.467 2.895 0 50 EFAA Cc1cc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)c(C)nn1 929770081 UTEIMPNASJPPOT-LJQANCHMSA-N 338.455 2.878 0 50 EFAA COc1ccc(N(C)C(=O)Cc2cccc(C(F)(F)F)n2)cn1 930741453 BAYJDCJKCZXBLK-UHFFFAOYSA-N 325.290 2.710 0 50 EFAA COc1ccc(-c2noc(C(=O)NCc3cccs3)n2)cc1OC 4721665 WJEOVYKYUWKIRA-UHFFFAOYSA-N 345.380 2.745 0 50 EFAA CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 11613973 BBFFZZSFLHLIAL-UHFFFAOYSA-N 335.381 2.757 0 50 EFAA Cc1cc(Br)cnc1CN1C[C@H](C(=O)O)CC(F)(F)C1 2325777341 YCUHBEOZRCJGIP-SECBINFHSA-N 349.175 2.694 0 50 EFAA NC[C@H]1CCCc2ccc(C(=O)NCCc3c[nH]c4ncccc34)cc21 2325795955 HQVOXDSZYPUCAM-MRXNPFEDSA-N 348.450 2.914 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(C)c1 184123 AULDWQMGFQICDD-UHFFFAOYSA-N 329.396 2.918 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCO1 343937955 UUOWJNLCPMNMML-MXASKKJJSA-N 332.444 2.538 0 50 EFAA C[C@H]1C(=O)N2CCC[C@@H]2c2nnc(COc3ccccc3Cl)n21 2356146899 ZJGYLHOPBFVNSA-CMPLNLGQSA-N 332.791 2.749 0 50 EFAA CCN1Cc2nnc(-c3ccc4c(c3)OCO4)n2[C@@H](CC(C)C)C1=O 2356156207 WROTYLQGORIROI-ZDUSSCGKSA-N 342.399 2.623 0 50 EFAA CC(C)n1ncc2c(C(=O)N(C)c3ncccn3)cc(C3CC3)nc21 344158480 ZJRUXEZZLHAQPQ-UHFFFAOYSA-N 336.399 2.956 0 50 EFAA O=c1[nH]c2ccccc2cc1CSc1nnnn1Cc1ccccc1 111698570 OEKMNVKQQPVSQP-UHFFFAOYSA-N 349.419 2.855 0 50 EFAA CCc1n[nH]cc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 58505224 DEMPUKXEINOIDX-UHFFFAOYSA-N 332.835 2.584 0 50 EFAA COc1ccc2onc(CC(=O)N(C(C)C)C3CCOCC3)c2c1 415217058 UYDMTGQEKMFEHH-UHFFFAOYSA-N 332.400 2.795 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)NCCC2=CSC3=NCCCN23)cc1 102180706 VOXSFLMTTGAPJY-AWEZNQCLSA-N 344.484 2.952 0 50 EFAA CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)[C@@H]1CCS(=O)(=O)C1 57596126 ZLOLJEWPSULRPH-MRXNPFEDSA-N 337.485 2.823 0 50 EFAA O=C(c1cnns1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 248186785 XNAWSTBHUATPOL-JKSUJKDBSA-N 342.468 2.665 0 50 EFAA CCn1c(CCNC(=O)[C@H]2CCCc3[nH]ncc32)nc2ccccc21 135079636 MJFUYPASONPORK-ZDUSSCGKSA-N 337.427 2.558 0 50 EFAA CC(C)(C)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20725839 QKKPKTGJQZUOND-MRXNPFEDSA-N 326.868 2.638 0 50 EFAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1cnccn1 55253513 NSQVKPNXVNAIAO-UHFFFAOYSA-N 327.775 2.936 0 50 EFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1Cl 101514013 WSWWFYFEDXGTDZ-KUDNYVPYSA-N 346.814 2.700 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc3c[nH]nc3c2)on1 347652402 FWKGPCLMANZOJG-HOTGVXAUSA-N 343.406 2.562 0 50 EFAA CCn1cnc(NC(=O)N2CCC[C@H](Oc3ccc(F)cc3)C2)n1 20535229 GHZXEZMRUDKZAM-AWEZNQCLSA-N 333.367 2.512 0 50 EFAA CCn1nc(/C=C/c2nc(C)c(CC(=O)O)c(O)n2)c2ccccc21 349113317 RCMUOUHIDLTLDR-CMDGGOBGSA-N 338.367 2.658 0 50 EFAA Cn1nnc2cc([C@H]3CC(=O)Nc4n[nH]c(-c5ccccc5)c43)ccc21 65396579 GETRVJSTJJOTRW-CYBMUJFWSA-N 344.378 2.833 0 50 EFAA c1ccc(-n2cc(-c3noc([C@H]4CCn5ccnc5C4)n3)cn2)cc1 350193980 REWVYLRZDNLDGU-ZDUSSCGKSA-N 332.367 2.849 0 50 EFAA CCN(C[C@@H]1CCOC1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 252463438 RGCCNXMJCCFDSF-KEYYUXOJSA-N 330.428 2.780 0 50 EFAA O=C(NCc1ccsc1)C1CCN(C(=O)c2ccccc2)CC1 172797945 CWMXYKKRUKUVCU-UHFFFAOYSA-N 328.437 2.917 0 50 EFAA Cc1csc(CN2CCC[C@H](N(C)Cc3noc(C)n3)CC2)n1 328647554 UAVNKWGKWCTJJC-AWEZNQCLSA-N 335.477 2.629 0 50 EFAA Cc1oc(C)c(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1C 328615178 XZWWVEZDSJJBPH-CYBMUJFWSA-N 333.388 2.925 0 50 EFAA CN(C)CCCn1c(=N)n(C[C@H](O)c2ccccc2)c2ccccc21 92845 UVJBTWROYOVWIY-IBGZPJMESA-N 338.455 2.608 0 50 EFAA CN1CC[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1cccnc1 328635993 VGNKCPMANBOQKT-GUYCJALGSA-N 326.375 3.467 0 50 EFAA CC[C@@]1(O)CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67655112 PSQDTPGCRLKYPC-GOSISDBHSA-N 347.390 2.505 0 50 EFAA CCNC(=O)CNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 363464738 GHFGPJUQCGSEMT-ZDUSSCGKSA-N 343.349 2.688 0 50 EFAA COc1ccc2nc(C(=O)N3CC[C@H](c4nc(C)no4)C3)ccc2c1 329177412 LYHQQEQGTPBUMG-ZDUSSCGKSA-N 338.367 2.565 0 50 EFAA Cc1nc(-c2cccnc2)nc(N2CCC[C@H](c3nc[nH]n3)C2)c1C 364875968 DUWMSAQZRYEHFJ-HNNXBMFYSA-N 335.415 2.658 0 50 EFAA O=C1OC2(CCN([C@H]3CCCOC3)CC2)CN1CCc1ccccc1 72468771 WTHYVDCNIJPIOE-SFHVURJKSA-N 344.455 2.695 0 50 EFAA O=C(c1ocnc1C1CC1)N1CCC[C@@]1(CO)Cc1ccccc1 366175948 BJWKZPJPQYBMDI-IBGZPJMESA-N 326.396 2.762 0 50 EFAA O[C@@H](Cc1ccccc1)CN1CCC(O)(Cc2ccccc2F)CC1 365866175 XAJHQYDVXXWZJE-IBGZPJMESA-N 343.442 2.799 0 50 EFAA c1ccc(Cc2noc(CN3CC[C@H](CN4CCCCC4)C3)n2)cc1 173880413 IAMMHZVYHDEBFK-GOSISDBHSA-N 340.471 2.968 0 50 EFAA CCOc1cc(NC(=O)NC[C@@H]2CCCn3ccnc32)ccc1OC 378222120 HNOXVJFAVJZAKT-ZDUSSCGKSA-N 344.415 2.990 0 50 EFAA O=C([C@@H]1CCCN(Cc2cnc3cc(O)ccc3c2)C1)N1CCCC1 71614628 BUDCPFWICWETCB-QGZVFWFLSA-N 339.439 2.775 0 50 EFAA O=C(NCC1CCC(F)(F)CC1)N1CCC[C@H](Cn2ccnn2)C1 374396111 RAXYWNLRKDDUDA-AWEZNQCLSA-N 341.406 2.525 0 50 EFAA CN1CCc2n[nH]c(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c2C1 77460077 LXQYYBMCEKWJTL-KRWDZBQOSA-N 342.418 2.904 0 50 EFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1csc(C2CC2)n1 448990240 IFMIYHRMLCSEAE-LBPRGKRZSA-N 334.372 2.758 0 50 EFAA CCc1cnc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)s1 174602315 DVUPMBRZJFXFEO-MRXNPFEDSA-N 345.468 2.842 0 50 EFAA CC(C)[C@H](CO)[C@H](NCc1cn(C)nc1-c1cccnc1)C(C)C 449508836 HYQUZQUUOBEPIE-ZWKOTPCHSA-N 330.476 2.861 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2cccc3nc(O)oc23)CC1 375835075 QPCJDAKBMXQNIG-UHFFFAOYSA-N 326.356 2.585 0 50 EFAA c1ccc([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)nc1 215446831 VXVBIKZOIRJETQ-MRXNPFEDSA-N 330.457 2.712 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1 237995464 VMMSKFZXDBVVHO-OAHLLOKOSA-N 327.384 2.732 0 50 EFAA CCOc1cc2c(cc1CNc1ccnc(C(N)=O)c1)O[C@@H](C)C2 131199016 DWFQZEBLXYEBDV-NSHDSACASA-N 327.384 2.515 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](CO)Cc2ccc(Cl)cc2)n(C)n1 82086966 GUCUPPKSBKVGBI-INIZCTEOSA-N 349.862 2.605 0 50 EFAA Cc1nn(C)cc1-c1ccnc(NCc2nc(C)c3c(n2)CCCC3)n1 48101645 NPIMCHDIIUPZCW-UHFFFAOYSA-N 349.442 2.775 0 50 EFAA CCc1nn2c(nnc3c(=O)n(CC)ccc32)c1-c1ccc(F)cc1 40391591 DWEQUNIVXDCNDI-UHFFFAOYSA-N 337.358 2.828 0 50 EFAA O=C(NCC1CCNCC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 426433946 DEQIAWCIUGJLPM-GOSISDBHSA-N 342.418 2.609 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1 95378340 JHNDFFAAOIWQEJ-CYBMUJFWSA-N 339.399 2.851 0 50 EFAA CCc1noc(CN(CC)C(=O)Nc2cc(C(C)=O)ccc2OC)n1 96153045 OZBGPHDVQQJLEQ-UHFFFAOYSA-N 346.387 2.897 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@@]1(O)C1CC1 91860650 OTMRCCOAAUXMIG-QRWLVFNGSA-N 328.456 2.910 0 50 EFAA COc1cccc(-c2cc(C(=O)N(C)Cc3cc(C)on3)[nH]n2)c1 91426702 XTNCYRNXOWCQOA-UHFFFAOYSA-N 326.356 2.654 0 50 EFAA O=C(NCc1ccccc1Cl)c1coc(CN2CCOCC2)c1 97259313 GRACARFOVHFORL-UHFFFAOYSA-N 334.803 2.695 0 50 EFAA COC[C@]1(O)CCN(Cc2ccc(Cn3cccn3)cc2)CC1(C)C 91306028 NCYQDNQYFPMHFV-HXUWFJFHSA-N 343.471 2.541 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CCOC[C@@H](CN(C)C)C3)oc2c1 91644629 ZAPVVWRKKVPDQC-HNNXBMFYSA-N 330.428 2.700 0 50 EFAA c1cncc(CN2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)c1 95501772 LVVBFANYJMYDRO-GOSISDBHSA-N 337.467 2.841 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 343043187 KOTSPDSOJVAIQA-UHFFFAOYSA-N 346.350 2.878 0 50 EFAA Cc1c(N[C@@H]2CCCOCC2)nn2c(C(F)(F)F)nnc2c1C 182981743 ZMZJFQIFMXCBDQ-SNVBAGLBSA-N 329.326 2.741 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)CCO1 299749235 JNNOZEDLQMZIOB-MRXNPFEDSA-N 345.326 2.544 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 269283263 RFGCUGZXZQZTAE-TZMCWYRMSA-N 339.277 2.968 0 50 EFAA Cc1nc(N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c2ccsc2n1 252527908 DQDFMIMCDZYAMW-JKOKRWQUSA-N 329.429 2.657 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cnn(CC3CC3)c2)cc1 534589968 YPFFLPGGHMGORM-SFHVURJKSA-N 325.412 2.869 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)COc1c(C)ccc(C)c1C)CC2 299772541 AWQWNOHZZFMAIN-ABSDTBQOSA-N 347.455 2.522 0 50 EFAA CC(=O)N[C@@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C)C(C)C 820573988 OHVYQEJGJKUDRG-MRXNPFEDSA-N 347.459 2.623 0 50 EFAA C[C@@H](OC(=O)[C@@]1(C)CCOC1)c1ccc(-n2cncn2)cc1Cl 1875259626 RHRUTBMQUWFKHB-BZNIZROVSA-N 335.791 2.952 0 50 EFAA COCC(=O)N1CCc2c(NCc3ccc(C)c(O)c3)cccc21 1875284828 PDCOPPWDXLEHSY-UHFFFAOYSA-N 326.396 2.848 0 50 EFAA C[C@H](OC(=O)[C@]1(C)CCOC1)c1ccc(-n2cncn2)cc1Cl 1875259627 RHRUTBMQUWFKHB-MEDUHNTESA-N 335.791 2.952 0 50 EFAA C[C@H]1CN([C@H](CNc2ncnn3cccc23)c2cccs2)CCO1 1875294343 FNTBVANQJYKTCE-DZGCQCFKSA-N 343.456 2.665 0 50 EFAA CCc1nccn1CCC(=O)NCCc1c[nH]c2ccc(OC)cc12 952988140 NUCOGVZSYTUVBS-UHFFFAOYSA-N 340.427 2.684 0 50 EFAA CC(C)Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)cn1 894896211 KGBBDAXDXDCRMW-GOSISDBHSA-N 336.501 2.679 0 50 EFAA O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1CCCN(c2ccccc2)C1 896389418 ZRZJPVDLIHAEDK-DNVCBOLYSA-N 349.434 2.646 0 50 EFAA C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCCC(F)F)C1 1775994761 BEKOKWANMVMSAA-HIFRSBDPSA-N 346.443 2.787 0 50 EFAA Cn1nccc1[C@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1 1364321295 JAOOVIBVRYJRQA-VIFPVBQESA-N 331.367 2.670 0 50 EFAA Cc1oc2ccccc2c1CN[C@@H]1CCCN(c2nccnc2O)C1 275540086 MPBRONLNAVBERY-CQSZACIVSA-N 338.411 2.995 0 50 EFAA CC1=C(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)CCCO1 275685940 PJBBWKJIHIBRST-OAHLLOKOSA-N 349.431 2.861 0 50 EFAA CNCCCC(=O)NC1(c2ccc(Br)cc2)CCC1 170048790 BYKLCYVMAGWPFC-UHFFFAOYSA-N 325.250 2.944 0 50 EFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(c2ncc(F)cn2)C1 280117034 AHIINGOMOWKDTM-GWCFXTLKSA-N 327.281 2.947 0 50 EFAA O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@@H](c2nccs2)C1 171854801 ZIKKGSLNRHOMDH-OAHLLOKOSA-N 346.408 2.518 0 50 EFAA C[C@@H]1COCCN1c1ccc(NC(=O)c2cn3ccnc3s2)cc1 188536664 XNNSNROUUNPYEW-GFCCVEGCSA-N 342.424 2.873 0 50 EFAA COCc1cc(NC(=O)N2CCC[C@@H]2c2csc(C)n2)ncn1 189180954 RTYANONZMJAWPD-CYBMUJFWSA-N 333.417 2.757 0 50 EFAA O=S1(=O)N=C(Cl)c2ccc(NCC3CCSCC3)cc21 408521930 AMLKDIYDRMPGDB-UHFFFAOYSA-N 330.862 2.929 0 50 EFAA Cc1csc([C@@H]2COCCN2Cc2ccc(-n3ccnc3)nc2)n1 189311481 IXUBESRXUDQXJK-HNNXBMFYSA-N 341.440 2.606 0 50 EFAA C[C@@H]1OCC[C@H]1S[C@@H](C(N)=O)c1cccc(Br)c1 221691470 LMZMVCDJZLQZKV-XXILOJSOSA-N 330.247 2.886 0 50 EFAA O=C(C[C@@H]1COCCN1C[C@@H](O)c1cccc(F)c1)c1ccccc1 221874238 VGURDRKSZJUONC-UYAOXDASSA-N 343.398 2.833 0 50 EFAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC1(O)CCC1 412139962 BCDYVYNUARZGSS-LLVKDONJSA-N 331.334 2.795 0 50 EFAA CCc1cnccc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 190657624 CVLDKLQROHPKDZ-QGZVFWFLSA-N 338.455 2.633 0 50 EFAA C[C@](NC(=O)N1CCc2ccccc21)(C(N)=O)c1cccc(Cl)c1 193475302 XJJJLUSPXSKAAY-GOSISDBHSA-N 343.814 2.813 0 50 EFAA O=S(=O)(CCc1cccs1)c1nnc(-c2ccccc2F)[nH]1 195127753 NWVAXHNMTQVOPA-UHFFFAOYSA-N 337.401 2.689 0 50 EFAA COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 195303412 JSLDLCGKZDUQSH-BVBXRQLNSA-N 336.435 2.562 0 50 EFAA biogenic O=C1CC[C@@H](N2CCCN(C3CCCC3)CC2)CCN1CC1CC1 1506395886 CAAKRWJYJWVMLM-LJQANCHMSA-N 333.520 2.728 0 50 EFAA Cc1cc(C)n(CCCN(C)c2cc(-c3nc(C)no3)ccn2)n1 1506412363 CVIUHHGNQCTILE-UHFFFAOYSA-N 326.404 2.780 0 50 EFAA Cc1ccc(NC2(C(=O)N3CC(=O)N(C)[C@@H](C)C3)CCCCC2)cc1 1506416943 NHVHSICZRXBKOD-INIZCTEOSA-N 343.471 2.799 0 50 EFAA CC(=O)N[C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@@H]1C(C)C 212866925 IXGOAIORJCYGRD-MJGOQNOKSA-N 347.478 2.887 0 50 EFAA CCOC(=O)c1cc(CSc2nc(C)cc(COC)c2C#N)on1 230891053 XIJUYNIBRNMFCV-UHFFFAOYSA-N 347.396 2.865 0 50 EFAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)NCc3cccs3)CC[C@@H]21 215364282 KYTDFJDIFCQKND-ZBFHGGJFSA-N 349.500 2.927 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3cccc(O)c3)C[C@H]2C1 1704280441 IKEMOMDKRNYAPM-USTZCAOPSA-N 330.472 2.902 0 50 EFAA CC1=CC2(CCN(C(=O)c3scc4c3OCCO4)CC2)OCC1 1704340284 YXTKIEMOMXUQST-UHFFFAOYSA-N 335.425 2.861 0 50 EFAA Cc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1616083749 NLKGWDYBBNTICR-PMACEKPBSA-N 336.435 2.893 0 50 EFAA CCn1ccc2cc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)ccc21 1772712813 ZKSIUZCFPVFPDK-APWZRJJASA-N 328.412 2.584 0 50 EFAA COC[C@@H]1CCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1 11708672 ITMARZWSUKCKKE-GFCCVEGCSA-N 334.347 2.501 0 50 EFAA C[C@H](NC(=S)NCc1ccccc1)[C@H]1COc2ccccc2O1 12383354 GKELCBDCMZRUCB-SUMWQHHRSA-N 328.437 2.879 0 50 EFAA Cc1nc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)cs1 12433285 OMSYUNRUDBDBCR-UHFFFAOYSA-N 346.387 2.823 0 50 EFAA C[C@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C1CC1 12474729 JVXHJMFIYHMUTK-JTQLQIEISA-N 330.340 2.511 0 50 EFAA CC[C@@]1(CCC(=O)NCc2nc3ccccc3s2)CCC(=O)N1 14985093 YZSXXGSQNWQOKR-QGZVFWFLSA-N 331.441 2.752 0 50 EFAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(Cc2nccs2)C1 1857688458 KRFHTBXBUACTLH-GOSISDBHSA-N 342.468 2.996 0 50 EFAA Cc1cccc2cc(-c3nccn3[C@H](C)c3nncn3C)c(O)nc12 1857692905 ZJWNZMAOGDTQKH-GFCCVEGCSA-N 334.383 2.850 0 50 EFAA CC(=O)N(C[C@@H]1CCCN1C(=O)c1cc(CC(C)C)c[nH]1)C1CC1 412307209 RTUVPIKPCRAASI-KRWDZBQOSA-N 331.460 2.829 0 50 EFAA CCc1noc(CC)c1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225678344 QDVOLECOEYSWJM-YOEHRIQHSA-N 346.402 2.816 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n1 124305138 ROCBHDJLIVUFMH-SCZZXKLOSA-N 338.335 2.539 0 50 EFAA Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)nn1C(C)C 448578200 GBRYLXNMMHSGDI-AWEZNQCLSA-N 329.400 2.684 0 50 EFAA CCCC(=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 240551454 GTXVVSIJURKPRK-IYVPYFHTSA-N 342.395 2.887 0 50 EFAA COC(=O)COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1 348625851 KXIVRJURECXFGO-KBPBESRZSA-N 332.400 2.892 0 50 EFAA CCN1CC[C@@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C 252504365 AIYAOFCIKJBMMU-GDBMZVCRSA-N 347.459 2.549 0 50 EFAA CCN1CCN(Cc2c(C)nc3ccc(C(C)=O)cc3c2O)CC1 19793391 JAAMRAYRYUVGMT-UHFFFAOYSA-N 327.428 2.589 0 50 EFAA CN(Cc1ccc(CO)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 357965813 REOUMPWGCSBDQN-IRXDYDNUSA-N 349.475 2.680 0 50 EFAA CC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)c1nccs1 151471389 SAABNAXOYMHBLL-OAHLLOKOSA-N 338.454 2.682 0 50 EFAA Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1C 263694410 NGYODAVQMOUNNS-UHFFFAOYSA-N 338.407 2.607 0 50 EFAA COCc1ccc([C@H]2COCCN2C(=O)c2ccc(N(C)C)cc2)o1 900665465 FJOJMFRQQXQHDU-QGZVFWFLSA-N 344.411 2.706 0 50 EFAA Cc1cc(-c2noc([C@H]3CCCCN3S(C)(=O)=O)n2)ccc1F 904400252 FWNSSJRMLMWTKF-CYBMUJFWSA-N 339.392 2.671 0 50 EFAA CN(C[C@H]1OCCc2sccc21)C(=O)Cc1ccc(C(=O)O)cc1 910504432 BVEIVIABCAIFKD-OAHLLOKOSA-N 345.420 2.761 0 50 EFAA O=C(C[C@H]1CCCC1(F)F)Nc1cc(-c2nn[nH]n2)ccc1F 822347559 BAQHACCZUHKVJJ-SECBINFHSA-N 325.294 2.770 0 50 EFAA COCc1ccc([C@H]2COCCN2C(=O)c2ncc(C)cc2C)o1 928523064 PIRXLYIUTFXXDR-OAHLLOKOSA-N 330.384 2.652 0 50 EFAA O=C(NCc1cnn(CC2CCC2)c1)Nc1ccc2c(n1)CCC2 931673008 JEAJSWXUSKYBRD-UHFFFAOYSA-N 325.416 2.889 0 50 EFAA CC(C)c1nc([C@H]2COCCN2C(=O)c2cc3ncccc3o2)no1 935295760 XRXPFXSNYICAOQ-GFCCVEGCSA-N 342.355 2.548 0 50 EFAA COc1cccc2c1CCC[C@@H](NC(=O)N=c1cc[nH]cc1F)C2 1123315482 CEZXAOSWTLDEFY-CYBMUJFWSA-N 329.375 2.720 0 50 EFAA CC(C)=CC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 408517412 IAKPHMXVQRYPOQ-RKDXNWHRSA-N 346.271 2.553 0 50 EFAA CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)s1 1426118 GWCWRGACWBCTBK-LBPRGKRZSA-N 345.428 2.736 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CCCN(C)CC3)ncnc21 2100543826 ZBCFYQCNARHOBN-UHFFFAOYSA-N 344.507 2.967 0 50 EFAA CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)s1 2325700896 SJUMUIZKDHFDOS-INIZCTEOSA-N 342.464 2.930 0 50 EFAA C[C@@H]1CCCN(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)[C@@H]1CCCN 2325766217 CENBNUBPUNXHOG-VYCZESIESA-N 337.508 2.741 0 50 EFAA Cc1sc([C@H](C)N)nc1C(=O)NC[C@H]1CCCC12CCOCC2 2325769215 YRMHFHXOABTUFO-WCQYABFASA-N 337.489 2.798 0 50 EFAA COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(C2CCC2)n[nH]1 2325794487 CZGXVBJMWZLJGJ-GOSISDBHSA-N 325.412 2.950 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C(=O)O)c1 851607192 VNVBNTGPSJLLNI-ZWKOTPCHSA-N 339.391 2.687 0 50 EFAA C[C@H]1CN(C(=O)Cc2nnc(O)c3ccccc23)c2ccccc2N1 2325848438 FZFCQIIRBZSRFY-LBPRGKRZSA-N 334.379 2.725 0 50 EFAA O=C(Nc1ccnc(N2CCNCC2)c1)c1cccc2ccsc12 2325855994 YAVGKZZJPAYUIC-UHFFFAOYSA-N 338.436 2.958 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(F)c(O)c2F)c(C)c1 2325874552 QZXNWPBAMJLRCB-UHFFFAOYSA-N 329.324 2.788 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356146643 OLKVSRSWHMMHQJ-HXUWFJFHSA-N 347.422 2.920 0 50 EFAA CCOc1cccc(CNc2nnnn2C)c1OCc1ccccc1 4943026 HIZZBFKHJZBWAM-UHFFFAOYSA-N 339.399 2.800 0 50 EFAA C[C@H]1C[C@H](C)CN(C(=O)CSc2ncn(-c3ccccc3)n2)C1 8762015 AKZZVNGDPJHFLB-KBPBESRZSA-N 330.457 2.864 0 50 EFAA O[C@@H](COCc1ccc(Cl)cc1)CN1CCC[C@H]1Cn1cccn1 247742159 OTGXJYCMXOGKLR-ZWKOTPCHSA-N 349.862 2.579 0 50 EFAA CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(Cl)cc1 9331004 YOIJPHHPXYHESV-JTQLQIEISA-N 335.816 2.630 0 50 EFAA COc1cc(CCNC(=O)N2CCC[C@@H]2CN2CCCC2)ccc1C 172661225 ZKXMNXUCPPBEDA-GOSISDBHSA-N 345.487 2.816 0 50 EFAA O=C(COc1ccc2ccccc2c1)NCCOC[C@H]1CCCO1 115419653 LNWBTYFPEOOBCM-GOSISDBHSA-N 329.396 2.530 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 347198546 NBHRSVLSAKONAQ-QRVBRYPASA-N 329.440 2.956 0 50 EFAA CN(CCCO)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 67869237 FRXCGQUDKYTJMN-UHFFFAOYSA-N 342.754 2.501 0 50 EFAA Cc1ccccc1-n1nccc1NC(=O)CNC(=O)c1cccs1 117260474 VGBGZTRITVLPLR-UHFFFAOYSA-N 340.408 2.611 0 50 EFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348257103 IIJBGHZJDUZHTJ-CJNGLKHVSA-N 343.333 2.789 0 50 EFAA CCCC(=O)N1CCC(N[C@@H]2CCOC[C@H]2OCC=C(C)C)CC1 222270758 JOPQMODULSCPML-QZTJIDSGSA-N 338.492 2.507 0 50 EFAA Nc1nccc(N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)n1 67675974 BXLARALRICAZSE-HNNXBMFYSA-N 334.427 2.757 0 50 EFAA C[C@@]1(C(=O)N2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl 20472597 KKRUJNOKXCJHQF-INIZCTEOSA-N 341.282 2.957 0 50 EFAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)c(=O)[nH]1 66763461 CEGOVMZYWFOORJ-QGZVFWFLSA-N 339.439 2.726 0 50 EFAA CCc1ncc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cn1 65370512 SLZWZOYAJLSWDT-UHFFFAOYSA-N 343.402 2.656 0 50 EFAA CC(C)c1ccccc1OCCNC(=O)N[C@H]1CCc2[nH]ncc2C1 123858960 JEHAUELGFGVIMA-HNNXBMFYSA-N 342.443 2.769 0 50 EFAA CC(=O)N(C)c1cccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)c1 123953313 GKXPZIFCDAZXRD-QGZVFWFLSA-N 343.383 2.868 0 50 EFAA Cc1nc2sccn2c1CN1CCN(c2noc(C(C)C)n2)CC1 65497733 ZYVGJZVGCPVBFD-UHFFFAOYSA-N 346.460 2.533 0 50 EFAA COc1cc(C2(C(=O)N[C@H]3CCN4CCCC[C@@H]34)CC2)ccc1C 229271206 RPEUANJHNGGIIJ-IRXDYDNUSA-N 328.456 2.778 0 50 EFAA CCc1nnc(CN[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)o1 253392950 LCKWJGOOISXZQZ-QFBILLFUSA-N 342.443 2.708 0 50 EFAA Cc1c(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cnn1C 253415669 ZQFRXSDEQIRQDV-ROUUACIJSA-N 342.443 2.526 0 50 EFAA Cc1cccc([C@@H](O)CNC(=O)c2cnc(-c3ccccc3)nc2)c1 153285418 NICRTJUMAGSKSX-SFHVURJKSA-N 333.391 2.915 0 50 EFAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 230222906 YEMFPVJCUUZINO-RAIGVLPGSA-N 332.473 2.654 0 50 EFAA CCn1nc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1Cl 363266163 NNFSYLGQGWXFHQ-UHFFFAOYSA-N 338.883 2.955 0 50 EFAA CC1CCC(Oc2cc(CNS(=O)(=O)CC3CC3)ccn2)CC1 330039989 CIGWXOPBMOUQSJ-UHFFFAOYSA-N 338.473 2.869 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)n(C)n1 77419148 CVYDEDBTJKTAIM-AWEZNQCLSA-N 331.391 2.799 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccncc1 175315257 FICDAISFVBNUMQ-HOCLYGCPSA-N 343.431 2.888 0 50 EFAA OCC(CO)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71762289 GNMCWIKGWNQGTC-CQSZACIVSA-N 331.378 2.703 0 50 EFAA Cc1ccc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1S(C)(=O)=O 332173263 UOXRBKFYGVJBQW-AWEZNQCLSA-N 349.374 2.859 0 50 EFAA O=C(CNC(=O)c1c(F)cccc1Cl)Nc1cccc(O)c1F 126660063 RPIFEBSWZYJJDA-UHFFFAOYSA-N 340.713 2.692 0 50 EFAA CCc1nc(N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)ncc1C 72156915 OTQOCCLZFWAIAE-MRXNPFEDSA-N 342.418 2.742 0 50 EFAA CN1C[C@@H](N[C@@H]2CCCOc3cc4c(cc32)CCCC4)CCC1=O 126716441 QVDSIABCQAGWGE-FUHWJXTLSA-N 328.456 2.990 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)c1nc(C)sc1C)C2 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339.370 2.612 0 50 EFAA Cn1ccnc1CCNC(=O)c1ccc(CN2CCCCCC2)cc1 426534391 FRYKGLXLGKYVME-UHFFFAOYSA-N 340.471 2.769 0 50 EFAA Cc1nc(COc2cccc(C(=O)NCC3(C4CC4)CC3)c2)no1 179526030 RPIIXEZQCZSUID-UHFFFAOYSA-N 327.384 2.877 0 50 EFAA COCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)n1cc(Cl)cn1 426408893 FTVIHFUVZSRJOP-GFCCVEGCSA-N 339.798 2.912 0 50 EFAA CN(C)C(=O)N1CCC[C@H](C(=O)NCCCSc2ccccc2)C1 47991645 WBSWDLBUQRSVIJ-HNNXBMFYSA-N 349.500 2.679 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccc(C)c(C)c2)C2CC(O)C2)cn1 223665155 WQAGCPYNPAKLOC-FAFZWHIHSA-N 340.423 2.949 0 50 EFAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F 237459824 GHNVFDJZZOSTQQ-JQWIXIFHSA-N 336.379 2.596 0 50 EFAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2cccc(O)c2Cl)C1 426522884 LTWWUBZZZXHZQT-LBPRGKRZSA-N 349.818 2.706 0 50 EFAA CSCc1noc(CN2CCC[C@@](CO)(CC=C(C)C)C2)n1 91390863 LYVPKPSWZNMYCF-MRXNPFEDSA-N 325.478 2.863 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)c2cccc(-n3cnnc3)c2)c1C 91848735 YPPNYSJFGZNIKL-LBPRGKRZSA-N 338.415 2.592 0 50 EFAA Cc1ccc([C@@H](C)CCN2CCC(c3nnc(CO)n3C)CC2)o1 97515089 GXJFBJGVCOWQNG-ZDUSSCGKSA-N 332.448 2.582 0 50 EFAA Cc1noc(C)c1C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237512830 SWPYCDKHSADEFY-GTNSWQLSSA-N 342.395 2.508 0 50 EFAA COc1ccc(-c2cc(C(=O)N[C@H](C)Cc3cccnc3)[nH]n2)cc1 91737900 YOSYVPXQUATUTI-CYBMUJFWSA-N 336.395 2.841 0 50 EFAA C[C@@H](Cn1cccn1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 95357372 PJVFINURGWKDSL-HNNXBMFYSA-N 341.459 2.532 0 50 EFAA CCC(CC)(CO)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 181339196 FGEQORKPUWPSPA-UHFFFAOYSA-N 326.803 2.701 0 50 EFAA O=C1CCC2(CCN(Cc3cscn3)CC2)CN1C[C@H]1CCCO1 91519332 NUXRLEJNBYVCGB-MRXNPFEDSA-N 349.500 2.527 0 50 EFAA Cc1nnc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 182194629 FOBJZDJMDWXOIZ-LURJTMIESA-N 347.366 2.964 0 50 EFAA Cc1cc(=O)c(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)cn1C 534584496 DECRUKQUIBBKDE-MRXNPFEDSA-N 327.428 2.996 0 50 EFAA CCCn1nccc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 299777276 DJVOQIODXCLKDP-AWEZNQCLSA-N 330.407 2.689 0 50 EFAA c1cc(CN2CCC3(CC2)CN(C2CCSCC2)CCO3)ccn1 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170597455 WNENCYYHYHOQMX-STQMWFEESA-N 342.461 2.522 0 50 EFAA C[C@@H]1SCCN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)[C@H]1C 170670380 FFMLLJVILHFQNQ-FRGLDACASA-N 330.450 2.921 0 50 EFAA Cc1cc(C(=O)N2CCCO[C@H](CF)C2)c(C)n1Cc1ccncc1 412450499 MYCJKQUMPSOYEW-QGZVFWFLSA-N 345.418 2.749 0 50 EFAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1cc2ccccc2[nH]1 187518880 MLEVDFMZDXVPSX-UHFFFAOYSA-N 338.363 2.904 0 50 EFAA Cc1cc2cc(NC(=O)N3CCN(c4cnccn4)CC3)ccc2[nH]1 171404460 VCZZCEDFELJLOI-UHFFFAOYSA-N 336.399 2.620 0 50 EFAA CC(C)(C)N1C[C@@H](N[C@H](c2ccc(F)cc2)c2ncc[nH]2)CC1=O 188221965 UNKISIVAHXQXRT-GOEBONIOSA-N 330.407 2.627 0 50 EFAA COc1cccc(CO[C@@H](C)C(=O)N2CCC3(CCN(C)CC3)C2)c1 646245104 AKOBVSVEBKCGGX-INIZCTEOSA-N 346.471 2.545 0 50 EFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2ccccc2)cn1 194446957 JFDLQXGZPKKCIM-ZDUSSCGKSA-N 330.409 2.512 0 50 EFAA CCc1noc(C)c1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C(C)C)c1 666445623 GHSBLGWPKAUKPQ-ZBFHGGJFSA-N 347.419 2.975 0 50 EFAA Cc1cc(N2CCN[C@@H](c3ccccc3)C2)nc(N2CCCCC2)n1 1529172875 RVBZJBRFKMWPKY-GOSISDBHSA-N 337.471 2.926 0 50 EFAA COc1cccc(N(C(=O)c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 1137567 LPMCSXOIIDWYCN-MRXNPFEDSA-N 343.404 2.653 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H]2CCCN2C(=O)[C@H]1C 1772710001 NNQMENADPXLEPU-SJLPKXTDSA-N 338.455 2.684 0 50 EFAA CN(Cc1nccn1C)CC1CCN(CCc2cccc(F)c2)CC1 11819946 DADBNKHZCZTJGS-UHFFFAOYSA-N 344.478 2.946 0 50 EFAA CCCN(CCC)C(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421545 LLYPWDCWDZZNEY-UHFFFAOYSA-N 340.427 2.757 0 50 EFAA CCCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 18227871 YQKGYAYFFMLYNE-UHFFFAOYSA-N 326.444 2.748 0 50 EFAA Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1 19790833 BJQSCPITXWCKMW-HXUWFJFHSA-N 340.467 2.865 0 50 EFAA O=C(OCC[C@H]1Oc2cccnc2NC1=O)c1ccc(Cl)cc1 1390504 WPWHSQXAQRRENU-CYBMUJFWSA-N 332.743 2.682 0 50 EFAA O=C(/C=C/c1ccc(Br)cc1)NCCCn1ccnc1 2754597 JIYWBBKALFSBQW-QPJJXVBHSA-N 334.217 2.865 0 50 EFAA O=C1C[C@@H](NCCc2ccccc2Cl)C(=O)N1c1ccccc1 4648912 VBJDWKGJQJGZLK-MRXNPFEDSA-N 328.799 2.804 0 50 EFAA Cc1ncc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)n1C 1857671664 VYUSCHLMCPSREZ-UHFFFAOYSA-N 335.455 2.730 0 50 EFAA CC(C)[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 115097530 SCLILCKTYUTVPP-MLGOLLRUSA-N 343.876 2.978 0 50 EFAA C[C@@H](NC(=O)Cc1cnc2ccccc2c1)c1nnc2ccccn12 118874156 NWXJFAKFBKLFJD-CYBMUJFWSA-N 331.379 2.697 0 50 EFAA COc1ccc(-c2ccc(CNC(=O)[C@H]3CSCN3)s2)cc1 120604819 QTDBMLSZTHGSSL-CQSZACIVSA-N 334.466 2.702 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2csc3ccccc23)n1 328611477 LTRDMOXWNYDEQX-GXFFZTMASA-N 329.381 2.541 0 50 EFAA COc1cccc(C2(NC(=O)c3cccc(CC(=O)O)c3)CC2)c1 653643029 TZVPAPQCPXLINC-UHFFFAOYSA-N 325.364 2.741 0 50 EFAA COc1ccc(Cl)c(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 345795563 HQLVQPNUZXICMH-OIISXLGYSA-N 325.836 2.710 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(Br)s1 136151766 RHGOQAFQGKXKAY-DTWKUNHWSA-N 346.246 2.937 0 50 EFAA CN(Cc1nccc(N)n1)[C@@H]1CCOc2ccc(Br)cc21 253418895 DCDLXMFAPWODFK-GFCCVEGCSA-N 349.232 2.777 0 50 EFAA C[C@@H]1Cc2cc(C=c3sc4nc5ccccc5n4c3=O)ccc2O1 254771155 ISAHQXPFLOCIQD-LLVKDONJSA-N 334.400 2.780 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)c1nnc(O)c2ccccc12 363664865 KXAHMGURWFUAIZ-GFCCVEGCSA-N 335.363 2.759 0 50 EFAA Cc1nn(-c2ccccc2Cl)cc1CN1CCO[C@H](CC(=O)O)C1 901507833 MWFLINQWBDIWSZ-CQSZACIVSA-N 349.818 2.510 0 50 EFAA C[C@@H](NC(=O)c1ocnc1C(F)(F)F)[C@@H]1C[C@H](C(=O)O)C1(C)C 902029017 HXPCOONKKIQSTM-GJMOJQLCSA-N 334.294 2.559 0 50 EFAA Cn1ccc(Cn2nc(-c3ccc(Cl)cc3)nc2Cl)cc1=O 1656815707 BDRURGWJNMHQDD-UHFFFAOYSA-N 335.194 2.999 0 50 EFAA O=C(Cc1ccc(F)cn1)Nc1cccc(CN2CCCC2=O)c1 806433099 FSVCHJJSXMMIPW-UHFFFAOYSA-N 327.359 2.524 0 50 EFAA Oc1n[nH]c([C@H]2CCCN(C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)n1 930499069 UJPAKSCOANQPFA-IHRRRGAJSA-N 334.370 2.739 0 50 EFAA CN(C)C(=O)c1ccnc(NC(=O)NCC[C@H]2CCC(F)(F)C2)c1 930788960 MDPABXVWWLJPJO-LLVKDONJSA-N 340.374 2.730 0 50 EFAA CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1 68838 FWMGELLUKRJQIR-INIZCTEOSA-N 332.400 2.912 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N3CCCN=C3S2)ccc1Cl 613629 UFTAAYMQLLYPCI-LBPRGKRZSA-N 337.832 2.681 0 50 EFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(OCC)c1 12411471 XHIRDPCJQPPBDM-NBUZRDOWSA-N 346.383 2.538 0 50 EFAA Cc1cc(C)n(C[C@H](O)COc2ccccc2Br)n1 201600 GLLBCWIEZIGBTF-LBPRGKRZSA-N 325.206 2.702 0 50 EFAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1c[nH]nc1-c1cccc(F)c1 2356135996 BYHIRHRWAARYQB-GSJFWJNXSA-N 331.347 2.589 0 50 EFAA CCCN1CCC[C@]2(CCCN2Cc2nc3ccccc3[nH]2)C1=O 2356166302 RPGZETBVLZXZBQ-IBGZPJMESA-N 326.444 2.930 0 50 EFAA Fc1ccc(CNC(=S)NNC(=S)NC2CCCCC2)cc1 2854628 ZPOSROPHYKRDDL-UHFFFAOYSA-N 340.493 2.502 0 50 EFAA CCn1c(SCc2ccccc2)nnc1-c1nonc1NC(C)=O 8614099 ARFXNANJITXBGE-UHFFFAOYSA-N 344.400 2.599 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCC(=O)NC1CCCC1 55255369 KLPLOWFDQJDLTB-UHFFFAOYSA-N 334.464 2.505 0 50 EFAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2F)CC1 9266200 ZJJRHKJAEMIJGX-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 52537743 ADGGKNPWQWJMJZ-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA CC(=O)c1cc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cs1 104492746 IBUQYQIFGUTBPN-QGZVFWFLSA-N 338.517 2.865 0 50 EFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)cc1 10544212 ACUDMHLWTRHWLL-OAHLLOKOSA-N 340.489 2.628 0 50 EFAA Nc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 65404906 CAIOXGCHDIOQRH-RBUKOAKNSA-N 347.418 2.808 0 50 EFAA CN1CC(=O)N([C@@H](c2ccccc2)c2nc3ccccc3n2C)C1=O 348875378 XCIMGVKLQITSAS-KRWDZBQOSA-N 334.379 2.557 0 50 EFAA CN(CCc1cnn(C)c1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 23542273 GZRAAULFMBNHIL-IBGZPJMESA-N 346.519 2.856 0 50 EFAA C[C@H](C(=O)NCc1ccccc1N(C)C)N(C)Cc1ccccc1 353890066 CBSMPBAROKGAIY-MRXNPFEDSA-N 325.456 2.889 0 50 EFAA CNC(=O)CN1CCC(N[C@H]2CCCC[C@@H]2C2=CCCCC2)CC1 151981413 VLTIORNOHUZGMB-MOPGFXCFSA-N 333.520 2.846 0 50 EFAA COc1ccccc1CCCN1C[C@H](OC)C[C@@H]1c1nc(C)no1 328626162 LKVYXUWRGNGOLY-HZPDHXFCSA-N 331.416 2.781 0 50 EFAA CS(=O)(=O)CCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 123128755 MYHZSYOOROOOBV-UHFFFAOYSA-N 343.408 2.603 0 50 EFAA C[C@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 65395964 GXGBREXULLGGDK-HNNXBMFYSA-N 348.462 2.911 0 50 EFAA CCCn1ncc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)c1C 65394100 XGEBVXZEEHUJOX-UHFFFAOYSA-N 341.459 2.551 0 50 EFAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ncnc(Cl)c2NC)C1 124875266 WEVODQYVSHJWOK-NEPJUHHUSA-N 339.871 2.693 0 50 EFAA Cc1ccccc1CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 65363605 VMZPPJAFXOEJAW-UHFFFAOYSA-N 346.433 2.995 0 50 EFAA Cc1cccc(-c2cccc(CNC(=O)[C@@H](O)c3cnn(C)c3)c2)c1 253397681 QASGPCOJAMBMBQ-IBGZPJMESA-N 335.407 2.745 0 50 EFAA O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ncnc3nc[nH]c23)C1 253397333 UIJNOCVHZDYAEL-BXKDBHETSA-N 349.316 2.684 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 253604326 YPNVSKKXMKPOJZ-RYQLBKOJSA-N 339.439 2.995 0 50 EFAA N[C@@H]1CCCN(Cc2ccccc2OCCCN2CCCCC2)C1 215359694 OBABKBYTMHFRQI-LJQANCHMSA-N 331.504 2.865 0 50 EFAA CNC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 237106085 OSLUDBXFEOOXNA-IACUBPJLSA-N 342.361 2.899 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 331857338 FKZQPBKMFOYLDB-PXAZEXFGSA-N 347.365 2.574 0 50 EFAA CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CCN1 71681222 DCTDBJWPDSSRQL-CQSZACIVSA-N 345.443 2.851 0 50 EFAA O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)N[C@H]1CCCC[C@@H]1O 332071699 UZAQHIUVRWBCGT-SRVKXCTJSA-N 328.334 2.694 0 50 EFAA CSc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)cc1 72433568 KLQBLLVVRCYZNQ-UHFFFAOYSA-N 327.453 2.688 0 50 EFAA CC(C)OCC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 363335713 UXKRPCVNOAQVHF-UHFFFAOYSA-N 329.400 2.868 0 50 EFAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 363406822 QDPLZCUPSDZBSS-JKSUJKDBSA-N 333.432 2.794 0 50 EFAA CC1(C)CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC[S@@]1=O 333667297 XNRDICNPUYNMBO-QHCPKHFHSA-N 349.378 2.865 0 50 EFAA CNC[C@H]1CCCN(C(=O)/C=C/c2csc(Br)c2)C1 237309114 WLQWWHSHNXRVAQ-ZYOFXKKJSA-N 343.290 2.982 0 50 EFAA CC(C)C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(=O)O 236615682 GEJGBRSEJFAFDZ-CQSZACIVSA-N 332.400 2.724 0 50 EFAA O=C(c1cccc(CO)c1)N1Cc2ccccc2[C@@H](n2cccn2)C1 368693366 RQXKHRCILXRSOL-IBGZPJMESA-N 333.391 2.621 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2ccccc2[C@H]2CCNC2)no1 72149757 BDNSJGOMLJIUTJ-AWEZNQCLSA-N 327.428 2.880 0 50 EFAA CN(C)C(=O)c1cccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 374896470 OIONLKIYXCQRGO-HXUWFJFHSA-N 342.414 2.621 0 50 EFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 215704190 SMYBXYCAVSSDLA-MRXNPFEDSA-N 335.411 2.830 0 50 EFAA Cc1nc(C)c(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)s1 262887313 LFFDKFUEOVQNOX-KBPBESRZSA-N 330.409 2.700 0 50 EFAA CCOCC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 496617121 TZOSLFNUOQJDJU-AWEZNQCLSA-N 340.464 2.661 0 50 EFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cncc(F)c1 132472278 FYDBFKMIIFDANU-MRXNPFEDSA-N 327.403 2.815 0 50 EFAA Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 215415444 GKFNSHHHVFLYPP-LJQANCHMSA-N 340.471 2.740 0 50 EFAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC1CCCCCC1 40267938 HKYPFRYONQNMHP-UHFFFAOYSA-N 343.402 2.888 0 50 EFAA C[C@@H](N)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 178809027 RFHMKZKKBMZDGU-LLVKDONJSA-N 332.835 2.930 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NCC(F)(F)F 229635024 MMQZEOQTSVDQIS-LALPHHSUSA-N 330.350 2.515 0 50 EFAA CC(C)COc1ncccc1C(=O)N1CCC([C@@H]2CCNC2)CC1 290687997 UOFJPWWOAOMFPS-MRXNPFEDSA-N 331.460 2.578 0 50 EFAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@H](CC)CO 41096343 GRNJDPSHWZFGLN-CYBMUJFWSA-N 329.462 2.566 0 50 EFAA CSCc1nc(CCNC(=O)[C@H](O)C2CCCCC2)cs1 223744140 KPNZRIMTLIVJIC-CQSZACIVSA-N 328.503 2.606 0 50 EFAA O=C(CNC(=O)[C@]1(c2ccccc2)CC12CCCC2)N1CCCC1 426634084 CGUJKDHFHNJQJH-HXUWFJFHSA-N 326.440 2.627 0 50 EFAA C[C@H](O)c1nc2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc2[nH]1 426684354 CZBSVKQBRKOHEA-NSHDSACASA-N 345.424 2.534 0 50 EFAA Cc1cc(CNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)ccc1F 426723880 NOQHTWCRFLUSND-KRWDZBQOSA-N 347.434 2.821 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1c(F)cccc1F)C2 91893759 YVKFRTJESLZYDP-NSHDSACASA-N 333.334 2.955 0 50 EFAA O=C(NCc1ccc(F)c(F)c1)c1cnc(CN2CCCC2)s1 97675451 MAKCKRWLOCIHHL-UHFFFAOYSA-N 337.395 2.947 0 50 EFAA CCN(Cc1ccncc1)C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O 92002088 MAQRGXDVCVVVAK-UHFFFAOYSA-N 348.406 2.803 0 50 EFAA COCCC(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91706692 VDKIKLKOSJFSCD-RBUKOAKNSA-N 330.472 2.579 0 50 EFAA O=S(=O)(CCCc1ccccc1Br)C[C@H]1CCCO1 182495717 VAUDOOHKZPMNEI-CYBMUJFWSA-N 347.274 2.976 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccnc2ccccc12 243914723 BJZRHVVOKWJJRO-PJIJBLCYSA-N 333.391 2.872 0 50 EFAA CC(C)c1nnc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)s1 299005310 NAAXXWNKHVHWBU-NSHDSACASA-N 348.428 2.888 0 50 EFAA NC(=O)c1ccc(NC(=O)NCCCC[C@@H]2CCCO2)cc1Cl 299792986 IFHBOBCZFWFSTQ-GFCCVEGCSA-N 339.823 2.910 0 50 EFAA Cc1oc2c(c1C(=O)N[C@@H]1COc3ccccc3C1)C(=O)CCC2 670444976 BVJQEZYRRRQGRZ-ZDUSSCGKSA-N 325.364 2.841 0 50 EFAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CCc2ccccc21 670451735 VLWZAAXZZPRFSP-LJQANCHMSA-N 346.434 2.867 0 50 EFAA CN(Cc1nc2ccccc2n1C)C(=O)NCCCN1CCCCC1 670436580 NMUBCGYLXXUKIC-UHFFFAOYSA-N 343.475 2.591 0 50 EFAA Cc1cc(C)c2cc(NC(=O)[C@@H]3NCC34CCOCC4)ccc2n1 1875276549 ARBQQIFACRFJOQ-KRWDZBQOSA-N 325.412 2.559 0 50 EFAA CO[C@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1 1875286946 OEYBREZMLIWQOZ-WMZOPIPTSA-N 337.427 2.772 0 50 EFAA O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-n2ccnc2)nc1 1875261207 HWNDNXZOTGSWAF-BHYGNILZSA-N 339.395 2.772 0 50 EFAA CCn1cnc(NC(=O)[C@@H](C)c2ccc(Br)s2)n1 1875271870 CZVLJEFIQQHOIF-ZETCQYMHSA-N 329.223 2.864 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 1875303623 FWEGNRCBWLKDDK-DGWNHINDSA-N 327.371 2.962 0 50 EFAA CCCc1nc(C)c(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)o1 1875395455 XWZSEJATMMHVHM-GXSJLCMTSA-N 332.404 2.611 0 50 EFAA COCc1cc(C2CN(C(=O)c3cc(C)n([C@H](C)C4CC4)n3)C2)no1 886086704 ZCWGNUXDXFVPEH-GFCCVEGCSA-N 344.415 2.537 0 50 EFAA O=C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)[C@H]2CCCN12 888172214 HKEFEBALFSFEIG-HNNXBMFYSA-N 326.352 2.866 0 50 EFAA Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cnc1C 893819577 YEDMDVDBNSWAMW-ZIAGYGMSSA-N 340.427 2.959 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccc3nc(CN(C)C)[nH]c3c2)c(C)o1 1775989781 AVSRKDYYQUBJQM-UHFFFAOYSA-N 348.428 2.635 0 50 EFAA CCCOCc1nc(Cc2cc(Br)cnc2F)no1 1776006103 MHRGNFVQEJYUGE-UHFFFAOYSA-N 330.157 2.884 0 50 EFAA FCCn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1 1472833092 FEOLXXXXWQPNCC-UHFFFAOYSA-N 341.325 2.840 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)CCc2ccc(Cl)s2)o1 275540437 ZMXAMFRJHYPACP-NSHDSACASA-N 341.820 2.626 0 50 EFAA CC(C)(C)C(=O)C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275544364 DRNLFMFSFHLAAA-AWEZNQCLSA-N 334.485 2.834 0 50 EFAA Cn1cc([C@@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C(F)(F)F)cn1 278293354 JMIRRHCPWSTPON-LLVKDONJSA-N 348.369 2.623 0 50 EFAA COC(=O)CCc1ccc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 171561175 MDODVRFLVNHNOZ-ZDUSSCGKSA-N 334.416 2.823 0 50 EFAA CC(C)N1CCC(NC(=O)CN2CCC(c3ccccc3)CC2)CC1 172243332 UQGBRHFKQDFLLP-UHFFFAOYSA-N 343.515 2.855 0 50 EFAA CC(=O)N1CCN(Cc2cccc(NC(=O)c3occc3C)c2)CC1 187153846 LFGWXRIFEPGIOQ-UHFFFAOYSA-N 341.411 2.504 0 50 EFAA O=C(O)[C@H](C1CC1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 635017474 UAFWGNVCXVUIGE-KBPBESRZSA-N 327.327 2.525 0 50 EFAA COCCn1ccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)n1 188101975 NEVKOLXCMLRHLT-UHFFFAOYSA-N 325.412 2.767 0 50 EFAA Oc1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)ccn1 639526242 CGPDWGHUXVGJCI-UHFFFAOYSA-N 335.411 2.952 0 50 EFAA CCc1c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)oc2ccccc12 640865330 CNVASTNQABPHMX-XYPHTWIQSA-N 342.439 2.713 0 50 EFAA C[C@@H](O)CN(C(=O)N[C@H](C)c1cc(Cl)ccc1Cl)[C@H](C)CO 225513530 ZOGOWHOFJXDETF-GMTAPVOTSA-N 349.258 2.828 0 50 EFAA COC(=O)[C@@H](c1ccsc1)N1CCc2c(cccc2NC(C)=O)C1 225717523 TUSRTYJATMEMDG-QGZVFWFLSA-N 344.436 2.979 0 50 EFAA COc1cccc(CO[C@H](C)C(=O)N2CCC3(CCN(C)CC3)C2)c1 646245105 AKOBVSVEBKCGGX-MRXNPFEDSA-N 346.471 2.545 0 50 EFAA Cc1c(NC(=O)[C@@H]2CCCO[C@@H]2C)nnn1Cc1ccccc1F 192382317 BVFPHWVDPRLACB-TZMCWYRMSA-N 332.379 2.528 0 50 EFAA O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1cc(F)c(O)c(Cl)c1 194539564 MTEGGNINBGGNPF-UHFFFAOYSA-N 349.705 2.780 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccncc2)CC1 195471606 YQWYIELBEYLZPL-UHFFFAOYSA-N 346.452 2.967 0 50 EFAA COc1cc(NC2CCN([C@H]3CCOC3)CC2)cc2cccnc12 656259851 DHYDSSFMOSRKGI-KRWDZBQOSA-N 327.428 2.909 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]2c2ccccc2)oc1C(=O)O 663423443 BWGDMMREWXGFFD-RISCZKNCSA-N 335.381 2.668 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCN2c2cnc(C(=O)O)cn2)cc1 1529111982 DVXWKNGHCVSUIL-INIZCTEOSA-N 326.400 2.578 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c2ccccc12 365656 ZCJBDSPFOPLACD-INIZCTEOSA-N 342.420 2.814 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 128563884 KJAZDIYTOPUWMA-MRVPVSSYSA-N 330.153 2.525 0 50 EFAA CCOC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 766470 COCHQTMBKQLTMT-SFHVURJKSA-N 330.472 2.926 0 50 EFAA Cc1n[nH]c(C)c1CN1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 1775983285 JMBJIIJAXBJZJT-UHFFFAOYSA-N 332.492 2.743 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)c1cc(C)[nH]n1 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CC(C)(C)[C@H]1CN(C(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 1529098533 HPWJPBGZADNKKU-DLBZAZTESA-N 332.444 2.927 0 50 EFAA CSc1cccc(CNc2ccc(C(=O)N3CCOCC3)cn2)c1 1529168642 JMDBTXIRCXOOGR-UHFFFAOYSA-N 343.452 2.888 0 50 EFAA CN(Cc1n[nH]c2c1CCCC2)c1cc(C(=O)N2CCCC2)ccn1 1529187590 VPKLWHUGGNZAFX-UHFFFAOYSA-N 339.443 2.556 0 50 EFAA CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](C(=O)O)S3 379353 VDAPNVZXLUHNHH-SGTLLEGYSA-N 342.420 2.693 0 50 EFAA CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1 479768 FCAGVCRJXZSRPO-UHFFFAOYSA-N 333.413 2.519 0 50 EFAA COc1cc(C(=O)N2CCCN(C[C@@H]3CC=CCC3)CC2)ccn1 1775984236 KWKSFWPXAGHVDZ-MRXNPFEDSA-N 329.444 2.594 0 50 EFAA CC(C)N1C[C@@H](CN2CCN(Cc3ccc(F)cc3)CC2)CCC1=O 1775982979 QKJAMNOYLDVTNG-GOSISDBHSA-N 347.478 2.590 0 50 EFAA CC(C)N1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 12382523 DAEASWSDKPYQJA-UHFFFAOYSA-N 336.304 2.985 0 50 EFAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(C(C)C)CC2)C1=O 14532838 LPCOBWIYRJVTMG-UHFFFAOYSA-N 343.471 2.756 0 50 EFAA CCCc1cc(=O)n2nc(C)c(-c3ccc(OC)c(OC)c3)c2[nH]1 17057094 MVUAOTPSWKNNMQ-UHFFFAOYSA-N 327.384 2.968 0 50 EFAA CN1CCN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 19910730 XWLONQUXBRAMCS-UHFFFAOYSA-N 349.784 2.935 0 50 EFAA Cc1cc(-c2nc(-c3ccccn3)nn2CCCO)n(C(C)(C)C)n1 1857678425 FYTYRWIBPALVAA-UHFFFAOYSA-N 340.431 2.649 0 50 EFAA O=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2[C@]12CCNC2 1875243596 OCFCALCLDRGVEW-OAQYLSRUSA-N 344.418 2.650 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)cc1 213084413 COGATQOKYOKQJA-MJGOQNOKSA-N 349.434 2.653 0 50 EFAA Cc1cccc(NC[C@H]2CCN(c3ncc(Br)cn3)C2)n1 109129305 FSZRRTUASOVNQW-GFCCVEGCSA-N 348.248 2.881 0 50 EFAA CC(C)c1ccc(OC2CCN(c3nccnc3C(N)=O)CC2)cc1 641299177 JVRYBOQNAGULLB-UHFFFAOYSA-N 340.427 2.747 0 50 EFAA Cc1cc(NC(=O)N2CC(C)(C)OC[C@@H]2C)nn1-c1ccccc1 332618395 BTTXDBIKXSWOAJ-AWEZNQCLSA-N 328.416 3.212 0 50 EFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCOCC1 238104203 PNVOZUTUEPOBGJ-LSDHHAIUSA-N 337.803 2.536 0 50 EFAA CCCN(CC)Cc1ccc(C(=O)N2CC[C@](O)(C(F)F)C2)cc1 452676743 CPACHELFJHTPNS-GOSISDBHSA-N 340.414 2.761 0 50 EFAA COCCC(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 247897895 VDKIKLKOSJFSCD-MOPGFXCFSA-N 330.472 2.579 0 50 EFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3nc(N(C)C)no3)C2)cc1 367760220 YUNZGHQYLXFONA-UKRRQHHQSA-N 343.431 2.532 0 50 EFAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 263550837 WJMZERKJJCWRNL-GFCCVEGCSA-N 344.194 2.758 0 50 EFAA CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 267337616 PREBJUTVFLTYOK-DOMZBBRYSA-N 349.456 2.838 0 50 EFAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1noc2c1CCCC2 903673421 RIAXBVNLZWGNRA-UHFFFAOYSA-N 338.433 2.748 0 50 EFAA CC1(c2ccccc2C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CC1 821386846 WPTZWBOIJFYSSJ-CYBMUJFWSA-N 338.411 2.562 0 50 EFAA O=S1(=O)CCC[C@H]1CN1CCC(CCc2ccc(O)cc2)CC1 929272619 BBDHCQHWTSQEJM-SFHVURJKSA-N 337.485 2.614 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Cl 4152271 XCWAVBSPVBREOY-CYBMUJFWSA-N 337.803 2.797 0 50 EFAA CC(=O)Nc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 973444 ZZCFFEXYVDMOLQ-UHFFFAOYSA-N 346.408 2.695 0 50 EFAA Cn1ncc(-c2ccc(Cn3cc(CO)cn3)cc2)c1C(F)(F)F 2325773271 DMYPXYDHEAQQCK-UHFFFAOYSA-N 336.317 2.843 0 50 EFAA Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1 303725 PPHFADFQVPMYBB-UHFFFAOYSA-N 328.294 2.716 0 50 EFAA aggregator COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(C)=O)cc1 361370 HXGHATAIQHLKGH-UHFFFAOYSA-N 343.408 2.780 0 50 EFAA O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(F)cc(Br)c1 246841252 SWMBMNUTPPOXFQ-GMZHKTEUSA-N 330.197 2.869 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(F)cccc1Cl 2888875 DZSLWIFPPHLIRK-LBPRGKRZSA-N 328.796 2.835 0 50 EFAA O=C1COC2(CCN(Cc3ccccc3-c3ccccc3)CC2)CN1 2356147129 JDTGDBOUUNEENM-UHFFFAOYSA-N 336.435 2.835 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 6725471 UPOHUDPCVXSZHF-UHFFFAOYSA-N 326.400 2.834 0 50 EFAA COC[C@H](NC(=O)CCn1c(C)cc2ccccc21)c1ccnn1C 55358417 CHFVNFVIUAJLFU-INIZCTEOSA-N 340.427 2.577 0 50 EFAA C[C@@H]1CC(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2C1 9061015 MRNBGDNOGOVISW-ZDUSSCGKSA-N 340.402 2.707 0 50 EFAA COc1ccc2c(c1)CCCN2C(=O)Cn1cnc(-c2ccccc2)n1 117557197 JPVXGUANYJOTLU-UHFFFAOYSA-N 348.406 2.933 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1ccncc1Cl 67955973 QQZZIRCZCVPBAI-ZDUSSCGKSA-N 333.819 2.970 0 50 EFAA COc1ccc(CN2CC[C@@H](CNC(=O)c3occc3C)C2)cc1O 67757121 JODJQORHXNXSHA-HNNXBMFYSA-N 344.411 2.554 0 50 EFAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 10283865 LAEXTEDOITVLEM-UHFFFAOYSA-N 336.413 2.743 0 50 EFAA COc1nc2ccccc2nc1CCC(=O)Nc1cnn(C(C)C)c1 1506429437 UOVVRFAOJCLVNC-UHFFFAOYSA-N 339.399 2.987 0 50 EFAA COc1ccc(C[C@@H]2CCCN2C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1 252474689 KHOLJOZUJXYJEV-HHXXYDBFSA-N 347.455 2.813 0 50 EFAA COCCN(Cc1nccs1)Cc1cc2ccccc2[nH]c1=O 67881637 BJFZNCHSNCJHCM-UHFFFAOYSA-N 329.425 2.633 0 50 EFAA CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccn2C)s1 20109573 LCSXXRIETJTGHU-LBPRGKRZSA-N 331.441 2.814 0 50 EFAA CC(C)OCc1c(C(=O)N2CC[C@H](C(=O)O)C2)oc2ccccc12 236818670 AHXUHPOAPDCVBN-LBPRGKRZSA-N 331.368 2.905 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1F 182474 PBIOKTDBWXPOAA-UHFFFAOYSA-N 333.359 2.749 0 50 EFAA Cc1cc(S(=O)(=O)Nc2c(OC(F)F)noc2C)ccc1F 253432537 LBQIWGJESUNYHS-UHFFFAOYSA-N 336.291 2.833 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CCSC[C@@H]2c2cnn(C)c2)c1C 331612753 MNLVMJMPQDBTHM-BLLLJJGKSA-N 347.488 2.826 0 50 EFAA CCOc1cc(C)c(CN2CCN3CCN(C)C[C@@H]3C2)cc1C(C)C 216180168 NTLQZRUNZJFPPE-LJQANCHMSA-N 345.531 2.949 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)c1ccccc1 362427715 FEEIUPOYSFNICJ-JCGIZDLHSA-N 342.443 2.779 0 50 EFAA COCC1=CCN([C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 367079504 GSFFZISPGQTLTJ-UXHICEINSA-N 340.467 2.943 0 50 EFAA CCOC(=O)Cc1nnc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)s1 155956434 CRYUYSLIJYCDLD-MNOVXSKESA-N 340.449 2.686 0 50 EFAA Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C(=O)O)C1 237652397 CQVMQOQXECKDRJ-LBPRGKRZSA-N 348.399 2.728 0 50 EFAA Cc1ccn2c(C(=O)N3CCC4(CCOCC4)CC3)c(C)nc2c1 71745940 NXTASWAWHKHMFC-UHFFFAOYSA-N 327.428 2.984 0 50 EFAA CCS(=O)(=O)C1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 450811476 LTHOOPGDPMFJIX-UHFFFAOYSA-N 339.505 2.695 0 50 EFAA OC1(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 158152923 BOTFFAQHBLUSBK-OAHLLOKOSA-N 346.254 2.908 0 50 EFAA O[C@@H](CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)C(F)(F)F 122009222 LHROOZIYABIULX-OLZOCXBDSA-N 340.349 2.574 0 50 EFAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(C(=O)c2ccc[nH]2)CC1 72425336 QHGCSXFTUFQNCN-UHFFFAOYSA-N 346.358 2.601 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286148946 GTVXPBZDPPUMGP-BRWVUGGUSA-N 337.847 2.661 0 50 EFAA Cc1ccnn1CCN1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 77377260 MYERKZMUABYWOJ-FQEVSTJZSA-N 344.503 2.839 0 50 EFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccco1)C2 72166625 XJWHUCNILNLCDU-GGPKGHCWSA-N 348.487 2.619 0 50 EFAA Cc1ccccc1N1CCN(C(=O)c2cc(C)c(C)[nH]c2=O)[C@H](C)C1 77470327 IYEUUWKDAQDGEG-OAHLLOKOSA-N 339.439 2.651 0 50 EFAA Cc1cc(C)nc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n1 72435801 TUKMKNLCHCBKRO-UHFFFAOYSA-N 327.428 2.727 0 50 EFAA Cc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1S(C)(=O)=O 341522121 IVBSVSSDLHQHQU-UHFFFAOYSA-N 331.384 2.706 0 50 EFAA Cc1ncc(CN2CC[C@@H](C(=O)N3CCCC3)C2)n1-c1ccccc1 290628918 XUXYMGAIRJLFGH-QGZVFWFLSA-N 338.455 2.625 0 50 EFAA O=C(N[C@H]1CCCn2ncnc21)N1CC[C@@H](Cc2ccc(F)cc2)C1 177308948 VNVXKNCRXZQKAP-HOCLYGCPSA-N 343.406 2.526 0 50 EFAA C[C@H](Oc1ccc(CN(C)CCN2CCCC2)cc1Cl)C(=O)O 223899169 RXCGYCYNVUMLPO-ZDUSSCGKSA-N 340.851 2.720 0 50 EFAA Cc1ccc2cc(CN3CC[C@@H](N4CCOCC4)[C@H]3C)ccc2n1 291458366 CZQYSWAVSMKBQT-OXQOHEQNSA-N 325.456 2.838 0 50 EFAA CN(C[C@H](O)CN1CCC(c2noc3cc(F)ccc23)CC1)C1CC1 289985559 XXDBRJSOXMMJSD-INIZCTEOSA-N 347.434 2.601 0 50 EFAA COc1ccc(C2(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CCCC2)cc1OC 222842411 TXPBLOAWMRYRPF-VYDXJSESSA-N 345.439 2.809 0 50 EFAA CO[C@@H](C(=O)N1CCC(Oc2cccnc2)CC1)c1ccccc1 220426493 DWOYKFRVEVWZNA-GOSISDBHSA-N 326.396 2.839 0 50 EFAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C 82107806 OEMPKFPRRRPTSE-OAQYLSRUSA-N 344.499 2.890 0 50 EFAA O=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc(Br)o2)CN1 225395130 WOSGHHRHMRKHCL-PWSUYJOCSA-N 327.222 2.533 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@H]1CCCCN1C 95369040 SJJYDNRUUUTQFU-CQSZACIVSA-N 332.423 2.925 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c(=O)[nH]1 91636393 IMCLALJLTZTTJG-QGZVFWFLSA-N 339.439 2.559 0 50 EFAA CC(C)C(=O)Nc1cc(C(=O)N2CCc3sccc3C2)ccn1 293014721 IPFJQVOKPWEHKB-UHFFFAOYSA-N 329.425 2.936 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3cccc(C)n3c1F)C2 91433810 FLOIXGJMFQHBRY-HUUCEWRRSA-N 344.434 2.728 0 50 EFAA OCCn1nc(CC2CC2)nc1Cc1cccc(C(F)(F)F)c1 91547412 RHHVMNOTHXHBPM-UHFFFAOYSA-N 325.334 2.833 0 50 EFAA Cc1csc([C@H](NC(=O)Cc2c(C)n[nH]c2C)C(F)(F)F)n1 295510966 WEXBIBDYXISMOV-NSHDSACASA-N 332.351 2.754 0 50 EFAA COc1ccc(CCCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1 91593224 OXAQIODKKVBABD-SFHVURJKSA-N 347.455 2.550 0 50 EFAA CCOCC1(CNC(=O)c2cnc(-c3cccnc3)nc2C)CCC1 97568780 MGMBCXDCYJQNBJ-UHFFFAOYSA-N 340.427 2.784 0 50 EFAA CNc1cc([C@H]2C[C@H](NC3Cc4ccccc4C3)C2)nc(COC)n1 244723786 MHJUGCLVQPSFDO-JCNLHEQBSA-N 338.455 2.668 0 50 EFAA C[C@]1(C(=O)O)OCC(=O)N(c2ccccc2)[C@]1(C)c1ccccc1 257173280 IGYHWGHESFYJEY-RTBURBONSA-N 325.364 2.809 0 50 EFAA NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]2CC=CCC2)CC1 299647153 FJHRAVAMLIUNQM-HNNXBMFYSA-N 327.428 2.683 0 50 EFAA Cc1noc(CCNC(=O)C[C@H](c2ccsc2)n2cccc2)n1 263588752 XYHBHJVORSOMBK-CQSZACIVSA-N 330.413 2.579 0 50 EFAA CCn1nc(CNC(=O)CCc2c(C)noc2C)c2ccccc21 534588961 JEUFECBUJQIPCH-UHFFFAOYSA-N 326.400 2.910 0 50 EFAA CCc1nc(C)c(C(=O)N2CCCN(Cc3csc(C)n3)CC2)o1 293226716 XXGPYAXVGFPAOM-UHFFFAOYSA-N 348.472 2.658 0 50 EFAA O=C(O)[C@]12CC[C@H](c3ccccc3)C[C@H]1CN(Cc1c[nH]cn1)C2 299778713 PNROITCLQYAZBC-BXWFABGCSA-N 325.412 2.880 0 50 EFAA Cc1nc(CCc2c(C)nc(O)nc2C)n(-c2cccc3c2CCC3)n1 828932435 YLJIBGQVKVMWTB-UHFFFAOYSA-N 349.438 2.962 0 50 EFAA CN1CCN(c2cc(OC[C@H]3C[C@]34CCOC4)ccc2Cl)CC1 1875392110 PKTUDFXYFYRGQV-KDOFPFPSSA-N 336.863 2.897 0 50 EFAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC[C@]2(CCCOC2)C1 1875311153 OQBAILUZIOBGTE-OAHLLOKOSA-N 343.349 2.880 0 50 EFAA COCCCC(=O)N=[S@](C)(=O)c1ccccc1Br 952879472 RGRDQANXSWDZLZ-GOSISDBHSA-N 334.235 2.859 0 50 EFAA C[C@]12CCC(=O)N1[C@H](c1nc(-c3nccc4[nH]ccc34)no1)CS2 952883606 ODUQLHLWNQBQIE-ZBEGNZNMSA-N 341.396 2.739 0 50 EFAA CCc1cnc(O)c(C(=O)N[C@H](C)[C@@H](O)c2cccc(Cl)c2)c1 1875267792 NZZWZEARKJISCB-MEBBXXQBSA-N 334.803 2.855 0 50 EFAA CN(c1nc(CN2CCN(Cc3cncs3)CC2)cs1)C1CC1 1875271506 QBCFHSVIHCUHQD-UHFFFAOYSA-N 349.529 2.516 0 50 EFAA C[C@H](O)c1nc2ccc(NC(=O)c3cccc4c3CCC4=O)cc2[nH]1 952985577 WSQPXDFERDWGDC-JTQLQIEISA-N 335.363 2.997 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)c3scc4c3OCCO4)cc2[nH]1 952978642 BMAALMXTLQLLMC-MRVPVSSYSA-N 345.380 2.701 0 50 EFAA Cc1cc(C)c2cc(C(=O)N[C@@H]3CCOC34CCOCC4)[nH]c2c1 890432584 NXJCQLVSYFTHBX-QGZVFWFLSA-N 328.412 2.853 0 50 EFAA COc1ccc(CNc2ccc(F)c(N3CCCNC3=O)c2)nc1 894511823 UFCJQOMFDGETAB-UHFFFAOYSA-N 330.363 2.761 0 50 EFAA C[C@H]1[C@@H](O)CCN1C(=O)NC[C@H](C)c1ccc(Br)cc1 1428345445 IBEZSUWCKXCZDF-MJVIPROJSA-N 341.249 2.717 0 50 EFAA FC(F)(F)c1nc(CN[C@@H]2CCc3nc[nH]c3C2)c2n1CCCC2 1364642073 PCPVLSYKZUVCPG-SNVBAGLBSA-N 339.365 2.608 0 50 EFAA COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1F 270819376 DKDRRSNHHKWNFU-CYBMUJFWSA-N 344.390 2.850 0 50 EFAA CCO[C@@H](C)C(=O)Nc1n[nH]c2c1c(C)nn2Cc1ccc(F)cc1 170593069 KAIAVYAQSZXOEL-NSHDSACASA-N 345.378 2.619 0 50 EFAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 170622080 PPANWXJJFAJGKJ-CYBMUJFWSA-N 332.473 2.556 0 50 EFAA Cc1oc(-c2cccs2)nc1CN(C)[C@@H](C)CN1CCOCC1 279666283 DMDIWTDZIFVFSH-ZDUSSCGKSA-N 335.473 2.864 0 50 EFAA CC(C)[C@H](C(=O)NCc1nnc2ccc(Cl)cn12)c1cccnc1 636257575 LNBBSZKPSBMEHD-INIZCTEOSA-N 343.818 2.834 0 50 EFAA C[C@@H](CC(=O)Nc1cnn(Cc2ccccc2)c1)N1CCCCC1=O 189186798 NOADNVMDDQQXRM-HNNXBMFYSA-N 340.427 2.661 0 50 EFAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC1(O)CCC1 412139963 BCDYVYNUARZGSS-NSHDSACASA-N 331.334 2.795 0 50 EFAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 194098250 KEZHTSNHTHDZSL-CXAGYDPISA-N 344.459 2.712 0 50 EFAA CC(=O)Nc1cccc(OCCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 194091125 VANFFPOUHSSGNN-GUDVDZBRSA-N 344.455 2.961 0 50 EFAA O=C(c1ccco1)N1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506409226 GHRQOTKUYJMZQN-GOSISDBHSA-N 339.439 2.706 0 50 EFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(C)o2)cc1OC 1529118297 JJHCOXSPGZUMEB-RTBURBONSA-N 347.411 2.540 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 213242532 SCGSYIKXLXFXHV-SJORKVTESA-N 342.395 2.551 0 50 EFAA Cn1nnc(-c2ccc3oc(-c4ccccc4)c(CC(=O)O)c3c2)n1 1776111328 PAFUTORRBAHZKP-UHFFFAOYSA-N 334.335 2.917 0 50 EFAA Ic1cscc1I 5425608 WPYTZXCRMJJEBO-UHFFFAOYSA-N 335.935 2.957 0 50 EFAA O=S(=O)(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 5603154 NYTSCIKUQIBBLG-UHFFFAOYSA-N 344.480 2.771 0 50 EFAA Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)nnn1-c1ccc(F)cc1 13691327 HXSWVEJOKMSEIB-UHFFFAOYSA-N 340.314 2.665 0 50 EFAA CC(C)(O)C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 14948147 JGUWMQFWGYPLON-OAQYLSRUSA-N 344.499 2.705 0 50 EFAA COc1ccc2cc(-c3nccn3C[C@@H]3CCCO3)c(O)nc2c1 1857682648 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0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)C[C@H](O)c1cccc(F)c1)C2 834493305 AGXXTOZMEXYKCA-INIZCTEOSA-N 345.418 2.786 0 50 EFAA CCOc1ncnc2c1CN(C(=O)c1ccccc1-n1cccc1)CC2 934361304 VLTWHJBOZMQRHB-UHFFFAOYSA-N 348.406 2.865 0 50 EFAA COCc1[nH]nc(NC(=O)CCn2ccnc2C)c1-c1ccccc1 2100543662 WRDZBSHRKPIMHC-UHFFFAOYSA-N 339.399 2.757 0 50 EFAA Cc1cc(=NC(=O)N[C@H](C2CCOCC2)C2CC2)c(OC2CC2)c[nH]1 2325782088 WDTHIXKPANHRIO-SFHVURJKSA-N 345.443 2.680 0 50 EFAA O=C(C[C@@H]1Cc2ccccc2CN1)NCc1c[nH]nc1-c1ccccc1 2325858455 NWUZKFIGILVVGG-IBGZPJMESA-N 346.434 2.798 0 50 EFAA COc1ccnc(N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)n1 2356147984 BFQYYGRVICTZBV-ZSZQSSIHSA-N 325.412 2.609 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3noc4ccccc34)C[C@H]21 2356152847 CVHWSXIMFOXNDW-OHNRDTAOSA-N 328.412 2.770 0 50 EFAA Cc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccccc1 4977035 QTUHKNQNKXSXBD-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA O=C(Nc1cccnc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7782159 FPUZOARIPOBXHP-CYBMUJFWSA-N 329.787 2.722 0 50 EFAA 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CCCc1ccc(CN2CCN(c3ncnc4[nH]ccc34)CC2)o1 67774658 LZDSCDCKOBJDSB-UHFFFAOYSA-N 325.416 2.826 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cn3ccsc3n2)C[C@H]1O 65434105 ZYRPZIFRYLJMLA-DGCLKSJQSA-N 347.465 2.756 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)on1 328621130 AGUJZINZDDFHRY-AWEZNQCLSA-N 343.431 2.551 0 50 EFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CN(C)C)CCO3)s1 67674318 FBCFCHQDQHGMBE-UHFFFAOYSA-N 346.452 2.712 0 50 EFAA COCc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)no1 173700828 XQSQAFZYARVTAS-INIZCTEOSA-N 343.427 2.558 0 50 EFAA COc1ccc(NC(=O)CN2CCC(c3nccs3)CC2)cc1 253423073 VMRYLNULACPUHY-UHFFFAOYSA-N 331.441 2.970 0 50 EFAA CN1CCC[C@@H](CNC2=NCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 253426486 IYXPIOIHCCAWPR-ZFWWWQNUSA-N 340.393 2.637 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=O)c1nn2cccnc2c1Cl 2792662 XNQSVHNBUDMAAY-UHFFFAOYSA-N 330.731 2.642 0 50 EFAA CCc1cn[nH]c1C1CCN(C(=O)Cc2cccc(OC)c2)CC1 77456420 YNWKPYJBBSLVAW-UHFFFAOYSA-N 327.428 2.929 0 50 EFAA Cc1cnn(C)c1S(=O)(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 331677512 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2.540 0 50 EFAA COc1ccccc1[C@@H](O)CNC1CCN(c2ccccc2)CC1 130540290 SZHFJPOBJRJUCX-IBGZPJMESA-N 326.440 2.987 0 50 EFAA Cc1nc2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2o1 216100311 HXRZXNNBLJCCEL-UHFFFAOYSA-N 325.368 2.556 0 50 EFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1csc(N)n1 72469585 PCGLKLTYZSXNRV-UHFFFAOYSA-N 342.424 2.972 0 50 EFAA Cc1nnsc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77286560 VQQJIZDRVJERBQ-GFCCVEGCSA-N 335.404 2.917 0 50 EFAA Cc1ccccc1N1CCN(c2ccc(S(C)(=O)=O)cc2F)CC1 288077060 HIZAYUUIFPCRRH-UHFFFAOYSA-N 348.443 2.864 0 50 EFAA COc1cc(F)ccc1N1CCN(Cc2ccc(C(=O)O)cc2)CC1 263580537 WBBLDBJQVQKRPG-UHFFFAOYSA-N 344.386 2.855 0 50 EFAA COc1ccc2cc(NC(=O)N3CCC4(CC3)OCCO4)ccc2n1 263655213 MTAQNFQHJCEAPW-UHFFFAOYSA-N 343.383 2.614 0 50 EFAA CCn1cnc2c(N3CCC(Oc4ncccc4C)CC3)ncnc21 289594626 JTQZCACSOMKNEY-UHFFFAOYSA-N 338.415 2.597 0 50 EFAA Cc1ccc(SC2CCN(C(=O)CN3CCOC3=O)CC2)cc1 20777907 CZQPLSSBFIJXGV-UHFFFAOYSA-N 334.441 2.530 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)COc2cc(C)ccc2C)C1 178011588 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2.949 0 50 EFAA Fc1cccnc1OC1CCN(Cc2cnn(CC(F)F)c2)CC1 294685385 NCCUCVBBGGWOAE-UHFFFAOYSA-N 340.349 2.726 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc2nccn2c1 91871791 LHVGRYMVSXUMRH-KRWDZBQOSA-N 331.379 2.702 0 50 EFAA Cc1cc(C)nc(N2CCC(NC[C@H](O)c3cccc(F)c3)CC2)n1 95506826 WOBALWDXDRPRSG-SFHVURJKSA-N 344.434 2.525 0 50 EFAA COCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 426471289 BCNIAPHKKMBJFA-FQEVSTJZSA-N 330.472 2.580 0 50 EFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCc1cn[nH]c1 95358799 IUIXNEOPZXRFLI-HNNXBMFYSA-N 325.416 2.632 0 50 EFAA Cc1ccccc1[C@@H](C(=O)N(C)Cc1cc(C2CC2)[nH]n1)N(C)C 95390654 GFXARXYWBRDVNZ-SFHVURJKSA-N 326.444 2.857 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)sc1-c1ccccc1 514739979 XZOLZHIDYSJOBT-HUUCEWRRSA-N 331.437 2.539 0 50 EFAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(F)(F)F)c1 239308812 GZIYDTRUFINXAO-RECBEJSDSA-N 325.286 2.842 0 50 EFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 97604119 KCRTUARQXMTBCI-CQSZACIVSA-N 342.468 2.902 0 50 EFAA CC(C)c1noc(CN2CCN(c3ccccc3Cl)C(=O)C2)n1 91756535 OKDIYQGNDXEAEQ-UHFFFAOYSA-N 334.807 2.695 0 50 EFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCc2c(C)n[nH]c2C)c1 96131847 SSAHLIKZGSBHSD-UHFFFAOYSA-N 333.367 2.836 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(c1ncccc1Cl)C2 91745251 BSXWBAMTGCQIGX-SFHVURJKSA-N 349.862 2.733 0 50 EFAA CCn1nc(C)c(CNC(=O)[C@H](c2cccc(C)c2)N(C)C)c1C 95381846 UIIRREIUPKMMJX-SFHVURJKSA-N 328.460 2.747 0 50 EFAA COc1cc2c(cc1CN1CCCC[C@H]1CC(=O)O)OCCCO2 97499473 MNCVQSCFMWHESM-AWEZNQCLSA-N 335.400 2.686 0 50 EFAA O=C(NCC1=CCCOC1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 296602928 LIPWDQWFJZSOAW-MRXNPFEDSA-N 336.819 2.849 0 50 EFAA COCC[C@H]1CN(Cc2ccccc2-n2nc(C)cc2C)CCO1 240203794 JTLQFNZZIWTAGH-SFHVURJKSA-N 329.444 2.726 0 50 EFAA CN(Cc1noc(-c2ccco2)n1)C[C@H]1CC(=O)N(C2CCCC2)C1 244690883 IYNVGGUSVTYKPL-CYBMUJFWSA-N 344.415 2.553 0 50 EFAA O=C(CCc1ccc(O)cc1)NCC1CCN(c2ccncc2)CC1 184107415 NHRPRMSYGFCBRE-UHFFFAOYSA-N 339.439 2.753 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 299745456 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334.243 2.904 0 50 EFAA Cc1nnc2n1[C@H](C(=O)N1CCn3cccc3[C@@H]1c1ccccc1)CC2 1875292354 FQEYEEDMYKNEOG-HKUYNNGSSA-N 347.422 2.507 0 50 EFAA O[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@H]1C1CC1 1875275969 XCEYYOLPDCYRPR-FUHWJXTLSA-N 332.407 2.899 0 50 EFAA Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)cs1 1875262935 AVOCAXYWYFPXLX-LBPRGKRZSA-N 339.438 2.721 0 50 EFAA Cc1cc(-c2nn[nH]n2)cc(C)c1CN[C@H]1CCC[C@]12CCCO2 1875330107 ONIZKDHIFUSCSO-WMZOPIPTSA-N 327.432 2.675 0 50 EFAA O=C(O)COCC(=O)N[C@H](CCc1cccc(F)c1)c1ccccc1 1875306160 VVIRMZUUUXNFDI-QGZVFWFLSA-N 345.370 2.717 0 50 EFAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1cc(Cl)cc(Cl)c1F 952888135 CYQNLIBHENEWID-GXSJLCMTSA-N 345.161 2.511 0 50 EFAA Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1F 952990567 XCACKRNUIQUNND-UHFFFAOYSA-N 343.402 2.815 0 50 EFAA O=C(N[C@H]1CC[C@@H](OC(F)F)C1)N1CCOc2cc(F)ccc2C1 888099939 GAQJYAYARIOJMO-QWHCGFSZSA-N 344.333 2.890 0 50 EFAA FC1(F)CCCCC[C@H]1NCc1ccc(N2CCOCC2)nc1 1775993854 WMCACJQHFXRFSX-OAHLLOKOSA-N 325.403 2.976 0 50 EFAA C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@@H]3CCCSC3)c2N1 1417882652 FJONTRZABGSLPG-FXPVBKGRSA-N 330.404 2.519 0 50 EFAA C=CC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1338390803 YDEIAULJQPYBHY-UHFFFAOYSA-N 326.318 2.612 0 50 EFAA CC(C)(C)c1cc(CN2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)[nH]n1 1565525257 ZYSNMAIEPPLQKM-HOCLYGCPSA-N 340.475 2.598 0 50 EFAA CCc1cccc(OCCCN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 1565507049 KJWZJLVSABGZGG-CVEARBPZSA-N 333.428 2.977 0 50 EFAA COCCCN1C(=O)CC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 1565511604 VSGQATFBFBBRJO-MOPGFXCFSA-N 330.472 2.579 0 50 EFAA Cc1cccc(C(C)(C)NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1 185691151 AFLNLQBFVZENGO-HNNXBMFYSA-N 335.469 2.561 0 50 EFAA Cn1c(CN2CCC[C@H]2C(C)(C)O)nnc1-c1ccc(Cl)cc1 186407864 BPMFHMSKOOCTIB-AWEZNQCLSA-N 334.851 2.871 0 50 EFAA O=C(O)CCC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 170612443 NZBWWWONEXBYQH-INIZCTEOSA-N 338.363 2.935 0 50 EFAA Cc1nc(CC(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)cs1 186589803 KOXDCLJDVZPCJQ-QGZVFWFLSA-N 344.484 2.560 0 50 EFAA O=C(Nc1cccnn1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 187527047 CKCVWBFOTNETOE-CYBMUJFWSA-N 336.754 2.875 0 50 EFAA COC[C@@]1(C(=O)O)CCN(C(=O)NCC(C)(C)C2=CCCCC2)C1 635515833 XEQGYUOLWMBWCG-GOSISDBHSA-N 338.448 2.646 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 408473695 DINSLJPJXYAFBA-PBHICJAKSA-N 331.460 2.741 0 50 EFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@H]2[C@@H](C1)C2(F)F 408517587 MRJFXWNQKZHFBN-NWDGAFQWSA-N 335.379 2.861 0 50 EFAA CC[C@@H](CO)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 225339925 YHYDTVPISDSOLC-QEWYBTABSA-N 330.428 2.562 0 50 EFAA CO[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1c1cnn[nH]1 668576311 BCDBNIAXAXMQTQ-QFBILLFUSA-N 342.443 2.741 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N2CCC[C@H]2c2cc(C)no2)c1 1506399266 CYTPPKURCQPJDH-HNNXBMFYSA-N 327.384 2.984 0 50 EFAA COC(=O)[C@@H]1C[C@H](O)CCN1CC(c1ccccc1)c1ccccc1 210424499 XLPBVUSNUCSVEK-QUCCMNQESA-N 339.435 2.817 0 50 EFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3ccncc3)CC[C@@H]21 216967127 IJMIIOGZKNDPQZ-MSOLQXFVSA-N 343.471 2.654 0 50 EFAA CCCOc1c(Cl)cc(C(=O)N2CCOCC2)cc1OCC 5050871 YZBIOGABBLBBFL-UHFFFAOYSA-N 327.808 3.000 0 50 EFAA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 5459637 WHEOLGGFCJQGHX-OAHLLOKOSA-N 326.352 2.665 0 50 EFAA biogenic Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@H]1CCCO1)C2 12027580 FUGCTOBPRKNGBN-CRAIPNDOSA-N 338.407 2.656 0 50 EFAA COCCCNc1nc2nonc2nc1N[C@@H]1CCc2ccccc21 12028791 AWPPJXQEZBFTDX-CYBMUJFWSA-N 340.387 2.561 0 50 EFAA CC(=O)c1cc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)cs1 19229434 SNJBBJJHKPKQEZ-KRWDZBQOSA-N 336.501 2.786 0 50 EFAA COc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)ccc1Cl 1857530929 VTNVRSMWVRMRQZ-WBMJQRKESA-N 349.818 2.590 0 50 EFAA Cc1nc2ccccc2nc1-c1nccn1C[C@H](O)c1cccnc1 1857683013 OYXOOHUFKTXSNI-KRWDZBQOSA-N 331.379 2.930 0 50 EFAA c1cn(-c2ccc(CN3CCOCC3)cc2)c(-c2cnsc2)n1 1857703884 VDBZFXYHGCFVPE-UHFFFAOYSA-N 326.425 2.828 0 50 EFAA O=C(NC[C@H]1CCOC2(CCC2)C1)N1CC[C@H](Oc2ccccn2)C1 333200001 QUDBQTOLEBROSC-HOTGVXAUSA-N 345.443 2.594 0 50 EFAA O=C1CC[C@@H]2CN(Cc3ccco3)CC[C@@H]2N1CCc1ccccn1 247813124 BXMRXNMLDCMHSH-APWZRJJASA-N 339.439 2.730 0 50 EFAA C[C@@H](c1nnnn1-c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 249720062 LOXIVQCWAONQEU-NWDGAFQWSA-N 325.338 2.998 0 50 EFAA CN(C[C@@H]1COCCO1)c1nncc(-c2ccc3ccccc3c2)n1 20905679 ARESIRPOMYCVHF-QGZVFWFLSA-N 336.395 2.543 0 50 EFAA CC(=O)N1CCC[C@@H](C(=O)N2CC(Cc3ccccc3Cl)C2)C1 374528686 CWXISMANRSENEG-MRXNPFEDSA-N 334.847 2.599 0 50 EFAA C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1c(F)cccc1F 390308598 VBFSTBOFAWALSO-VIFPVBQESA-N 341.335 2.703 0 50 EFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnn2ccccc12 1660985241 VPTPWCSQVDVGAM-OAHLLOKOSA-N 327.409 2.609 0 50 EFAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCC[C@H]1CC(=O)c1ccco1 901032548 SAMHGCBQKUBJOJ-FHSNZYRGSA-N 341.411 2.933 0 50 EFAA CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 6937811 BPSHAEXCHQHEDS-UHFFFAOYSA-N 330.818 2.562 0 50 EFAA CN(C)C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)c1ccccc1 2325757282 MUPKCKOQLILTDL-MRXNPFEDSA-N 327.428 2.556 0 50 EFAA Cc1cccc(C)c1OCC(=O)N1CCC(C(F)(F)C(=O)O)CC1 2325787716 RMRUSWKWJKKNJR-UHFFFAOYSA-N 341.354 2.641 0 50 EFAA CC1(C)CN(C(=O)c2ccc(C3(CN)CCC3)nc2)c2cccnc21 2325793479 WJZQFWADBDIVIW-UHFFFAOYSA-N 336.439 2.795 0 50 EFAA Cc1c(C(=O)N2CC(CC(C)(C)CN)C2)cnn1Cc1ccccc1 2325813081 JQVSUYDLCYNBOV-UHFFFAOYSA-N 340.471 2.687 0 50 EFAA OCCCc1nc(C2C[C@@H]3COC[C@H]3C2)n(-c2ccc(F)c(F)c2)n1 2325849321 LVGMTNPNENJEHG-CHWSQXEVSA-N 349.381 2.610 0 50 EFAA Cc1ccc(O)c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 2325869096 YOCWRSDAZKCJBL-KRWDZBQOSA-N 340.379 2.748 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c(OC)c1 206028 IOXOJDRHBNCDSX-CYBMUJFWSA-N 333.384 2.908 0 50 EFAA O=C(O)CNc1c(F)cc(Br)cc1Br 2544860 ROSYCTSDJYITOX-UHFFFAOYSA-N 326.947 2.847 0 50 EFAA CCCCc1nc(CN2CCC[C@@]23CCCN(C)C3=O)c(Cl)[nH]1 2356148695 NOCINFKMXGLSJV-QGZVFWFLSA-N 338.883 2.993 0 50 EFAA CCOc1ccc([C@H]2NC(=O)Cc3cc(OC)c(OC)cc32)cc1 3181602 HZEYBSGFWWSGDM-LJQANCHMSA-N 327.380 2.864 0 50 EFAA CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C)n2)CC1=O 4413281 KNHZFYPBVHDFIU-CQSZACIVSA-N 339.395 2.780 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)c1 8247169 ZSZHRWAFYAAKQZ-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA Cc1ccc(NC(=O)c2cc(CN3CCOCC3)on2)cc1Cl 21236529 GOGQOFFSWSZUEM-UHFFFAOYSA-N 335.791 2.721 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cn(C)c3ccccc23)C(=O)O)cc1 346022194 XZULSJIEGYCQHG-QGZVFWFLSA-N 338.363 2.743 0 50 EFAA OCC[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cccs1 23373265 UHIOHLDLNBSLEG-KRWDZBQOSA-N 334.460 2.956 0 50 EFAA CCc1ncc2c(n1)CN(C(=O)CC1CC(C)(C)NC(C)(C)C1)C2 67695839 BAKYEKSSRRVPIW-UHFFFAOYSA-N 330.476 2.828 0 50 EFAA COc1ccccc1CN[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72166851 UBULVNXMFDEUNJ-UXHICEINSA-N 338.451 2.522 0 50 EFAA CC[S@](=O)[C@H]1CCCC[C@H]1NC1CCN(Cc2ccncc2)CC1 252486154 FUGFSUHVSPCRAL-IMWIBFENSA-N 349.544 2.715 0 50 EFAA COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 252484402 FVJYZGOERXJMLG-UHFFFAOYSA-N 341.346 2.941 0 50 EFAA Cc1ccc2nc(CN(C)Cc3ccc(S(C)(=O)=O)cc3)[nH]c2c1 67947765 FURAKBFSVYJCBP-UHFFFAOYSA-N 343.452 2.907 0 50 EFAA CC[C@@]1(O)CCN(c2nccc(-c3cccc(Cl)c3)n2)C[C@H]1O 72407115 AMWCKTNHOWOVJY-NVXWUHKLSA-N 333.819 2.509 0 50 EFAA Cc1cc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n[nH]1 64622494 OZDVYDFIVJLORT-UHFFFAOYSA-N 338.367 2.660 0 50 EFAA O=C(CCN1CC[C@H](Cc2ccc(CO)cc2)C1)NC1CCCCC1 219608156 PPNMQWBMBQWYFH-LJQANCHMSA-N 344.499 2.882 0 50 EFAA Cc1cc(C)n(C[C@@H]2CN(C(=O)c3occc3C(C)C)CCO2)n1 283877380 HQPXTDBQFKTYPE-HNNXBMFYSA-N 331.416 2.758 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)c1 363136215 FSVIJEZGTUSEGI-DLBZAZTESA-N 340.471 2.929 0 50 EFAA O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccn(-c2ccccc2)n1 363175410 TVOLMGNADHTWPG-UHFFFAOYSA-N 330.351 2.910 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([S@@](C)=O)cc2)cn1 328646110 SJFURGPGLPLTDS-HOOSLVGPSA-N 347.484 2.650 0 50 EFAA Cc1cc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328639003 PIDQAXLTFRJUGC-LLVKDONJSA-N 328.338 2.893 0 50 EFAA O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1csc(O)n1 368199692 GQYBERHEOMAZPN-CQSZACIVSA-N 330.409 2.673 0 50 EFAA CCCc1cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)n(C)n1 157117974 JSULEWKMYHGOON-HNNXBMFYSA-N 333.480 2.712 0 50 EFAA Cc1cc2cccc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2o1 72170399 YQMRORADXFQORP-UHFFFAOYSA-N 342.439 2.803 0 50 EFAA COc1ccc(N2CCN(C(=O)c3scnc3C(C)C)CC2)nc1 457006498 AUCQPSCOZBOCHD-UHFFFAOYSA-N 346.456 2.633 0 50 EFAA Cc1ccnc([C@H]2CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)c1 496661006 KVMCXCRMCMRZPT-AWEZNQCLSA-N 333.432 2.621 0 50 EFAA OC1(c2cccc(C(F)(F)F)c2)CCN(C[C@H]2CCCNC2)CC1 72425093 BXBKMNGCSZSAIB-AWEZNQCLSA-N 342.405 2.988 0 50 EFAA Cc1cccc(N2CCC(N[C@H](c3nccn3C)C3CC3)CC2)n1 375533341 NGZUZIHPWAKHTB-SFHVURJKSA-N 325.460 2.833 0 50 EFAA COc1ccc(OC2CCN(C(=O)c3c(Cl)cnn3C)CC2)cc1 77486443 ZIYRCYROVHTBPN-UHFFFAOYSA-N 349.818 2.766 0 50 EFAA COC[C@]1(CNCc2c[nH]nc2C(C)(C)C)OCCc2ccccc21 377717682 DZCDPNYMKZAIRH-FQEVSTJZSA-N 343.471 2.911 0 50 EFAA N[C@@H]1CCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 237922557 NPCHIBWOSZKXBW-YVARQFDVSA-N 327.359 2.586 0 50 EFAA C[C@@H](C(=O)NCc1ccccc1-n1ccnc1)n1cc(Cl)cn1 71753131 WDFCBFYHJHIOQN-LBPRGKRZSA-N 329.791 2.600 0 50 EFAA CN1CCN(Cc2ccc(-c3ccc(CCC(=O)O)cc3)nc2)CC1 215868838 GSLYHYATDOKLSP-UHFFFAOYSA-N 339.439 2.513 0 50 EFAA Cc1cc(C)cc(OC[C@H](O)CN2CCO[C@@H](c3nccs3)C2)c1 222214571 WGGWCLVALBXBDG-NVXWUHKLSA-N 348.468 2.573 0 50 EFAA c1cnc2ccc(CNc3nc4nonc4nc3NC3CC3)cc2c1 15064671 BXKNNUGSLGUFBL-UHFFFAOYSA-N 333.355 2.747 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cc(C)n(Cc3ccccc3)c2C)C1 133510257 JYHQGDVOUCKJCH-GOSISDBHSA-N 325.456 2.977 0 50 EFAA CNC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2OC)c(C)c1 46594495 YGOMSOGAIZSRRX-UHFFFAOYSA-N 342.395 2.553 0 50 EFAA Cn1nccc1CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 131682802 YMDNZPLTBNMHFI-QGZVFWFLSA-N 329.400 2.549 0 50 EFAA O=C(CSc1ccncc1)N1CCC[C@H](OCc2ccccn2)C1 223131032 IVVHAIZFRGODDA-INIZCTEOSA-N 343.452 2.777 0 50 EFAA COc1ccc2c(C)c(C(=O)N[C@H]3CCc4[nH]ncc4C3)oc2c1 91986609 ROVBPOYDNZZNRU-LBPRGKRZSA-N 325.368 2.760 0 50 EFAA CN1CCN(Cc2noc([C@@]3(c4ccc(F)cc4)CC3(C)C)n2)CC1 95359281 ATUYENLOXMWTDY-IBGZPJMESA-N 344.434 2.672 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)[C@H]3CCOc4ccccc4C3)C2)n1 96133351 GNXQLJPBZIXXHP-INIZCTEOSA-N 325.412 2.525 0 50 EFAA COCc1ccc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)s1 95508935 PSVUHVVGEZRQOG-LBPRGKRZSA-N 347.436 2.884 0 50 EFAA COc1cc(C(F)(F)F)nc(OC)c1I 238337482 SCNIHRZBWKWJIK-UHFFFAOYSA-N 333.047 2.722 0 50 EFAA Cc1nc2sccn2c1C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 97370479 VXIRAXUOLRGVIE-LBPRGKRZSA-N 331.445 2.745 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 238076820 LEJSPQQBYHVLTH-CDAZIORVSA-N 330.203 2.599 0 50 EFAA O=C1N[C@H](C(=O)NCc2csc3c2CCCC3)Cc2ccccc21 97360139 WIZWQOCFENVKMD-INIZCTEOSA-N 340.448 2.598 0 50 EFAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](Nc2nc3ccccc3o2)C1 244723516 MDBGLFBMDHHOSW-BETUJISGSA-N 349.398 2.559 0 50 EFAA CCc1noc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1 296691775 HYTWXXCSVAVCKY-GFCCVEGCSA-N 336.779 2.971 0 50 EFAA O=C(NCC1(N2CCOCC2)CCCC1)c1ccc2scnc2c1 244874971 XKHQGWMGEXGYQV-UHFFFAOYSA-N 345.468 2.671 0 50 EFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cn2ccsc2n1 244882557 XTZDKYASHYBRST-RBSFLKMASA-N 341.436 2.508 0 50 EFAA COc1ccccc1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 257189642 JKEJZCFBLBOOGS-IBGZPJMESA-N 347.455 2.550 0 50 EFAA CC(C)NC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263616168 HMFNLFWOZWMRIB-UHFFFAOYSA-N 338.407 2.746 0 50 EFAA CC[C@H](NC(=O)N(CCOC)Cc1cccs1)c1ccnn1C 534575962 NCUOTDVNRNINRZ-AWEZNQCLSA-N 336.461 2.791 0 50 EFAA C[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cnc2ccccc21 299757870 CQHJCEOKWGQGAL-CYBMUJFWSA-N 337.427 2.906 0 50 EFAA O=C(NCc1nncn1C1CCCCC1)Nc1ccc2c(c1)OCO2 299793084 IRWLJEPBFWSGAS-UHFFFAOYSA-N 343.387 2.834 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1onc2c1CCCC2 669096920 FUHOLBDHZAOIAA-KRWDZBQOSA-N 336.395 2.921 0 50 EFAA Cc1ccc(C2(C(=O)Nc3ccc(Oc4nn[nH]n4)cc3)CC2)cc1 825172683 HCUOQFKUHIEVQI-UHFFFAOYSA-N 335.367 2.971 0 50 EFAA CO[C@H]1C[C@@H](CNc2nc3ccccc3o2)N(c2cc(C)ncn2)C1 952851312 XKVSOPURQAGDPH-KBPBESRZSA-N 339.399 2.632 0 50 EFAA O=C(O)c1cn([C@@H]2CCCN(Cc3cscc3Cl)C2)nn1 1875283448 SJQGNTFDUXWDFE-SNVBAGLBSA-N 326.809 2.528 0 50 EFAA N[C@@H]1CN(C(=O)C2([C@H]3CCCCO3)CCC2)C[C@H]1c1cccc(F)c1 876921787 SCQOECNTAJTPSC-RCCFBDPRSA-N 346.446 2.818 0 50 EFAA O=C([C@@H]1[C@H]2CCCCC[C@H]21)N1C[C@H](Cn2cnnc2)C2(CCC2)C1 1875310222 JDZNJBMQYRZCGW-MWDXBVQZSA-N 328.460 2.733 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccc(N(C)C)nc2)c1C 952969275 SHBBYGXBUSTTJW-UHFFFAOYSA-N 325.372 2.599 0 50 EFAA O=C(CCC(=O)N1CCC[C@H]1c1ccccc1)Nc1nncs1 952975474 DYQWOUIRVPITIV-ZDUSSCGKSA-N 330.413 2.621 0 50 EFAA O=[S@](Cc1cc(Br)cs1)c1n[nH]c(C2CC2)n1 1772112180 JUJJZTNCECZLEG-QGZVFWFLSA-N 332.248 2.814 0 50 EFAA Brc1cnc([C@H]2CCCN2c2ncnc3c2CCC3)nc1 895718876 SXUPSCHVNUEEOS-CYBMUJFWSA-N 346.232 2.859 0 50 EFAA COc1ccc2nccc(N3CCC([C@@H](O)c4ncc[nH]4)CC3)c2c1 1336751387 PSFONJCSYXJPAJ-GOSISDBHSA-N 338.411 2.917 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCO1 271449695 HOXSYGANMGZQMI-KYJSFNMBSA-N 334.435 2.721 0 50 EFAA O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@@H](N2CCOCC2)CC1 1467952534 DQHGMPCMWGBFGO-CQSZACIVSA-N 345.418 2.634 0 50 EFAA COc1ccc(Cl)cc1NCCC(=O)N1CC[C@@H](O)C[C@H]1C 170090121 WHOQQSCXXSNTID-DGCLKSJQSA-N 326.824 2.522 0 50 EFAA CC(C)(CN[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1F 186566259 HDRKWKCZNSMZFG-LLVKDONJSA-N 333.856 2.924 0 50 EFAA CN(C)c1ccnc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1 170603275 CTAFATZURJRBCQ-UHFFFAOYSA-N 327.306 2.945 0 50 EFAA COc1ccc(-n2ccc(C(=O)NC[C@@H]3C[C@H]3c3cccnc3)n2)cc1 408516066 JFJQDAWMVYXDAZ-YJBOKZPZSA-N 348.406 2.809 0 50 EFAA C[C@H]1CN(C(=O)NCc2ccc(Cl)cc2F)C[C@@]2(CCOC2)O1 280438074 XZVRFTYTWKIESQ-MEDUHNTESA-N 342.798 2.569 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1 111215935 XSJOPTJHJLKERR-HNNXBMFYSA-N 327.432 2.752 0 50 EFAA O[C@@H](COc1ccccc1)CN1CCCN(c2ccccc2)CC1 225510847 GATOBKMGWAMVAR-LJQANCHMSA-N 326.440 2.639 0 50 EFAA CC[C@@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1nc2ccccc2[nH]1 225629631 FFTMMKKJEMWCTO-DYVFJYSZSA-N 349.394 2.718 0 50 EFAA CC(C)Oc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nc1 225681969 MXHHJHDTKWRSGY-MAUKXSAKSA-N 344.386 2.956 0 50 EFAA O[C@H](CN1CCC(n2ccc(C(F)(F)F)n2)CC1)CC(F)(F)F 189876779 ONBOERJGYOGAEB-JTQLQIEISA-N 345.287 2.852 0 50 EFAA COc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cc1Br 190995486 DTXLHDZTRMWZEW-JQWIXIFHSA-N 342.233 2.889 0 50 EFAA CO[C@](C)(C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1F 192128138 RHBIDZSPIJCCNZ-IBGZPJMESA-N 345.418 2.823 0 50 EFAA COCc1csc(NC(=O)Nc2ccn(CC(F)(F)F)n2)n1 192231050 LNTDVQTVLIILSW-UHFFFAOYSA-N 335.311 2.692 0 50 EFAA CCO[C@H]1C[C@](NC(=O)Cc2ccc(Cl)cc2)(C(=O)O)C1(C)C 193053607 UIVAMXOPQOJERH-GUYCJALGSA-N 339.819 2.657 0 50 EFAA Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H](N2CCCC2)C1 195530709 CDLCUTRHILIPMR-AZUAARDMSA-N 343.515 2.602 0 50 EFAA COCCN1CC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 1506420551 ISFDITLCIKWEPB-CYBMUJFWSA-N 349.431 2.856 0 50 EFAA CCc1cc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)nc(C)n1 1704343047 IRUAHCAJCMOQCJ-OXQOHEQNSA-N 348.450 2.935 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3cccc(Cl)c3F)C[C@@H]12 1704339917 QFPWEUCLHNIDSJ-NVXWUHKLSA-N 326.843 2.758 0 50 EFAA CC1=C(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)OCCO1 14980451 VPUZBVZAMAIRPO-KRWDZBQOSA-N 331.412 2.515 0 50 EFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(C)=O)c2)n1 18037216 KADQTMGTZTVOJS-UHFFFAOYSA-N 345.424 2.656 0 50 EFAA COc1cc(OC)c(CN2CCCN(C)CC2)cc1Br 19536405 KEDKUNDQJRZHCY-UHFFFAOYSA-N 343.265 2.604 0 50 EFAA Cc1ccc(C2=NOC3(CCN(C(=O)c4ccccc4)CC3)N2)cc1 169755000 VQWCIQHFOPZZPB-UHFFFAOYSA-N 335.407 2.909 0 50 EFAA Cc1onc(N)c1S(=O)(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 331699961 ZVDLHCHHGDSQTI-CYBMUJFWSA-N 335.429 2.727 0 50 EFAA O=C(N[C@H]1CCC[C@H](O)C1)c1cccnc1OCc1ccccc1F 225625617 UFECVPICJGYVHR-GJZGRUSLSA-N 344.386 2.833 0 50 EFAA O=C(CCc1ccccc1Cl)N1CCC[C@H](Cn2cncn2)C1 127530161 CLCTWZYICBBBDS-AWEZNQCLSA-N 332.835 2.803 0 50 EFAA C[C@H]1C[C@@H](C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)CCN1 662883000 PKVIBHPXZKZFHC-JLJPHGGASA-N 334.435 2.892 0 50 EFAA O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1c1nc(CCc2ccccc2)n[nH]1 247728582 FUFXDXICZDEQOE-QXGSTGNESA-N 348.450 2.774 0 50 EFAA Cc1ncc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)s1 267358418 NGPVEQBPKSFQHK-JTQLQIEISA-N 344.440 2.501 0 50 EFAA O=C(NC[C@H](O)CCc1ccccc1)c1coc(Br)c1 390834294 VXNKFGXGRHNRJR-CYBMUJFWSA-N 338.201 2.766 0 50 EFAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H]1CCOC1 903944306 KAMUFXMAMNFIJW-OLZOCXBDSA-N 339.819 2.666 0 50 EFAA O=C1NCCC[C@@H]1CNc1nc(-c2ccccn2)nc2sccc12 858568217 JGEBWVPHSZFVOH-LLVKDONJSA-N 339.424 2.691 0 50 EFAA CN(Cc1cnn(C)c1)Cc1ccc(C(=O)O)cc1Br 226722485 RUCHEOWEANUMEV-UHFFFAOYSA-N 338.205 2.513 0 50 EFAA O=C(c1ccncc1Br)N1CCCC[C@H]1c1ncon1 155706071 KUQRQMRNNQQJHP-NSHDSACASA-N 337.177 2.595 0 50 EFAA CC(C)(C)c1nc(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)n[nH]1 2325779924 QKQRBIAPOHVVIL-UHFFFAOYSA-N 328.372 2.596 0 50 EFAA C[C@@H](C(=O)NC[C@H](N)C1CC1)c1ccc(C(=O)c2cccs2)cc1 2325815723 IZJHWHVBMOWTQY-WBMJQRKESA-N 342.464 2.936 0 50 EFAA O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1cccnc1O 2325866357 IGQBUTGCKLUQNR-UHFFFAOYSA-N 336.351 2.502 0 50 EFAA Cc1csc(-c2noc(Cc3ccn(CC(F)(F)F)n3)n2)n1 904006699 IIWMQFSWCJPFBI-UHFFFAOYSA-N 329.307 2.851 0 50 EFAA Cc1c(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)oc2ccc(F)cc12 207734579 SGJBDSHTDSDQGU-OAHLLOKOSA-N 338.338 2.937 0 50 EFAA Cc1cc(-c2cnc3c(N4CCC(O)CC4)nccn23)ccc1F 2356147317 QXDOJCBLVZCPPE-UHFFFAOYSA-N 326.375 2.805 0 50 EFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 3898161 GIUQTBNFNHAURL-AWEZNQCLSA-N 338.404 2.750 0 50 EFAA O=C(CCc1ccc(-c2cccs2)o1)NCc1nnc2n1CCC2 20869699 TYPZGPXWWKOEQG-UHFFFAOYSA-N 342.424 2.795 0 50 EFAA O=C(Cn1cnc2ccccc21)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348262981 RTLHBIYFNVNJKA-MAUKXSAKSA-N 339.370 2.510 0 50 EFAA O=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1ccc2[nH]ccc2c1 170625696 FCQCAELANYZZGE-UHFFFAOYSA-N 339.395 2.816 0 50 EFAA Cc1nc(C2CC2)ncc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67974239 KDBHQKNNGCNIDU-UHFFFAOYSA-N 337.427 2.906 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)N[C@H]1CCN2CCCC[C@@H]12 229120720 DXMIJAQUNVSOQU-IRXDYDNUSA-N 325.416 2.621 0 50 EFAA CN1CCN(CC[C@H]2CCCCN2Cc2nc3ccccc3[nH]2)CC1 67855361 ADCMUJGPSQXVDO-QGZVFWFLSA-N 341.503 2.555 0 50 EFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(F)cc2F)C[C@@H](C)O1 229518372 DTPFMTWZPWGXOV-VNHYZAJKSA-N 338.398 2.679 0 50 EFAA CC(C)CN1CCN(Cc2cccc3ncccc23)C[C@@H]1CCO 20916815 UCOBSXWEMFIBQM-SFHVURJKSA-N 327.472 2.759 0 50 EFAA C[C@@H]1CCN2C(=O)N(c3nc(-c4ccccc4)ns3)C(=O)[C@H]2C1 328595550 XYDLSLOFFZMHCI-ZYHUDNBSSA-N 328.397 2.772 0 50 EFAA Cn1cc(Cl)c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)n1 999556 NMDBSDXWHHOKRA-UHFFFAOYSA-N 333.754 2.710 0 50 EFAA CCn1cnnc1[C@H]1CN([C@H](C)c2ncc(C(C)(C)C)o2)CCO1 328627892 GSJQXNZLEUPOFZ-CHWSQXEVSA-N 333.436 2.718 0 50 EFAA CC(C)c1noc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)n1 72157394 OVNDEAUUINLKHL-SFHVURJKSA-N 326.400 2.679 0 50 EFAA CCOC(=O)CCNC(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72135428 DRARRNKGGLNCGF-CQSZACIVSA-N 348.378 2.502 0 50 EFAA Cn1cc([C@@H](O)CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)cn1 360078903 KOADKABDYQRVHW-MOPGFXCFSA-N 341.455 2.836 0 50 EFAA O=C(c1cccc(O)c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72144254 ZMMAMTXSMZGYQV-LJQANCHMSA-N 336.435 2.708 0 50 EFAA CCc1noc(C)c1C(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 72166071 LGAIXAPSMBFKII-AWEZNQCLSA-N 342.395 2.948 0 50 EFAA CC(C)CCC(=O)NCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 363384275 IOOLEQSPZRJIGV-KRWDZBQOSA-N 334.435 2.912 0 50 EFAA COc1cc(Cl)c(C)cc1-n1ccnc1-c1cc2n(n1)CCNC2 72473158 ABASNZDFVIVGRO-UHFFFAOYSA-N 343.818 2.809 0 50 EFAA CCCCN1C[C@@]2(CCCN(Cc3snnc3C)C2)CCC1=O 77516276 MTLOJQISXHLPSP-KRWDZBQOSA-N 336.505 2.851 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2nc(-c3ccc(OC)cc3)oc2C)C1 237087270 OQCWTUKXYYIXBV-CQSZACIVSA-N 343.427 2.730 0 50 EFAA CCn1cc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)c(C)n1 216287626 IQHRAVYAJQRTEE-SFHVURJKSA-N 340.471 2.853 0 50 EFAA OCCn1ncc2c1CN(Cc1ccc([C@H]3CCCCO3)s1)C2 215530779 DBXBCLXAQCMROX-MRXNPFEDSA-N 333.457 2.694 0 50 EFAA CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc3c(c1)ncn3C)C2 371032874 HDNKFTZXGFNLFO-UHFFFAOYSA-N 348.406 2.730 0 50 EFAA COCC1(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)CCC1 72447856 IVORBHVSVFWCEH-OAHLLOKOSA-N 332.444 2.549 0 50 EFAA O=C(O)CCCCNC(=O)COc1ccc(Cl)c2cccnc12 238174461 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340.427 2.607 0 50 EFAA CC(C)c1csc(CCNC(=O)C[C@H]2NC(=O)c3ccccc32)n1 299782456 VSCFYSCAAFIQSD-CQSZACIVSA-N 343.452 2.800 0 50 EFAA CCCc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2OC)cc1 823010369 UBRKJVYSIWDNMD-UHFFFAOYSA-N 337.383 2.876 0 50 EFAA CO[C@@H](C)c1nc(COc2cccc(Cl)c2)nn1CCCO 584892779 WVCWFNDQTNTTHE-NSHDSACASA-N 325.796 2.600 0 50 EFAA Cc1csc(CCCNC(=O)N(C)CCC[C@H]2CCCO2)n1 584897285 AAJLADBQJNPYRP-AWEZNQCLSA-N 325.478 2.985 0 50 EFAA C[C@H](Sc1cccc(O)c1)C(=O)N1CC(=O)Nc2ccccc21 185687765 GADUBYJVBCXRNE-NSHDSACASA-N 328.393 2.858 0 50 EFAA COc1ccc(Cl)c(S(=O)(=O)Nc2nc(C)cc(C)n2)c1 185712569 FQHGGZAYMPWEBW-UHFFFAOYSA-N 327.793 2.556 0 50 EFAA O=S(=O)(C[C@H]1CCCO1)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1875271204 ASHZCZJGKOMSDX-SECBINFHSA-N 349.334 2.502 0 50 EFAA Oc1nc(O)c2c(n1)CN(CCOc1ccc(Cl)cc1Cl)C2 1875299550 OMIPTQCQVQAYRD-UHFFFAOYSA-N 342.182 2.589 0 50 EFAA CCc1ncc(S(=O)(=O)N(Cc2ccc(C)s2)C2CC2)[nH]1 952984733 ZCMABILPOCDYQV-UHFFFAOYSA-N 325.459 2.695 0 50 EFAA Cc1cccc2c(C(=O)N3CCC(CN4CCNC4=O)CC3)coc12 887651403 LRSQVGQOXDCQHC-UHFFFAOYSA-N 341.411 2.619 0 50 EFAA Cc1ccc(CN(Cc2ccccn2)C(=O)COC[C@H]2CCCO2)o1 1775998940 LFBOPJJWRTZZBZ-GOSISDBHSA-N 344.411 2.707 0 50 EFAA O=C(c1ccnc(-n2cccn2)c1)N1CCO[C@H](c2ccccc2)CC1 1349703607 GPCPHMOULUQDBT-SFHVURJKSA-N 348.406 2.871 0 50 EFAA CO[C@](C)(C(=O)N1CCC(CCC(=O)O)CC1)c1ccccc1F 668280910 HKQONAYSPRSMCG-SFHVURJKSA-N 337.391 2.791 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N3CCC[C@@H]3C3CCOCC3)cc12 679125307 JNIIDPROFSVSAN-MRXNPFEDSA-N 343.431 2.700 0 50 EFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(c2nccc(C(F)(F)F)n2)C1 225646949 FPWQMHJORRZZPZ-RYUDHWBXSA-N 327.281 2.947 0 50 EFAA CN(C)S(=O)(=O)c1ccccc1CNCc1cc(Cl)cs1 192997446 GJAYQBZDMCBUMY-UHFFFAOYSA-N 344.889 2.942 0 50 EFAA O=C(CN1[C@H]2CC[C@H]1CNC2)N(Cc1ccccc1)c1ccccc1 662334586 STBODRAZIMNSAN-PMACEKPBSA-N 335.451 2.656 0 50 EFAA Cc1cc(CC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)no1 666004442 VBSIZTOAPYAGAY-GOSISDBHSA-N 326.396 2.906 0 50 EFAA Cc1ncsc1-c1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)cc1 667471969 RWZRJNMYIPWEEC-HNNXBMFYSA-N 336.482 2.737 0 50 EFAA CCCCc1nc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)c(Cl)[nH]1 1529106393 NWLCUHRGPUPKBP-CZUORRHYSA-N 348.878 2.836 0 50 EFAA COc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1F 1529158753 KOYIQXYPIRTPPD-IEBWSBKVSA-N 331.387 2.769 0 50 EFAA Cc1ncc(CN(CCN(C)C)C(=O)Cc2cccc(Cl)c2)[nH]1 1704326187 WYDILEMKNCTDPY-UHFFFAOYSA-N 334.851 2.504 0 50 EFAA CCSc1nnc(NC(=O)c2nnn(-c3ccccc3)c2C)s1 5033429 KEQNTUKUYFASIR-UHFFFAOYSA-N 346.441 2.792 0 50 EFAA CCCCN(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5298559 PENZJJNHHUXMTP-AWEZNQCLSA-N 329.849 2.769 0 50 EFAA Cc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2 12039315 AIJKKWOIDWTCJR-UHFFFAOYSA-N 338.367 2.670 0 50 EFAA CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)c2ccco2)c1 12138692 JPEUJNIKCZRITI-UHFFFAOYSA-N 345.424 2.888 0 50 EFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc3c(c2)CCO3)C1 12206733 ZBEOIYWEIPIGHG-HXUWFJFHSA-N 347.455 2.803 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 12246545 VLKIFELBKFINCA-LBPRGKRZSA-N 339.848 2.940 0 50 EFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@H]1CCOC1 12319107 YHAMFPROOTZIRW-AWEZNQCLSA-N 328.368 2.535 0 50 EFAA CCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 14974762 NAYXOCIKGJJKEJ-GOSISDBHSA-N 336.382 2.716 0 50 EFAA COC(=O)C[C@H](c1c(O)n2ccccc2nc1=O)C1CCCCC1 205973293 XJMAHEKHWWALIZ-ZDUSSCGKSA-N 330.384 2.627 0 50 EFAA Cc1c(C(=O)NCCN2CCCc3ccccc32)nc2ccccn12 1857695308 DHJHLFIQWRXSLN-UHFFFAOYSA-N 334.423 2.825 0 50 EFAA C[C@@H](CN)CNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 423453589 KUPWGGFDZDSBFD-AWEZNQCLSA-N 326.444 2.990 0 50 EFAA O=C1NCCN1C1CCN(Cc2ccccc2OC2CCCC2)CC1 127558864 ZRGWXNZTTLPZOR-UHFFFAOYSA-N 343.471 2.998 0 50 EFAA COc1ccc(CNC(=O)[C@]2(C)CCNC2)c(OC2CCCC2)c1 237326933 CZHKXRIFQYPLBQ-LJQANCHMSA-N 332.444 2.632 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237636829 MUIOYGKRZYBVIG-BHYGNILZSA-N 331.412 2.581 0 50 EFAA O=C(c1ccc(C2CCC2)cc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253395418 DLPQABWIXHBNDC-QRVBRYPASA-N 329.440 2.956 0 50 EFAA COCc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 156780782 PYOXGDCDELJCFA-SFHVURJKSA-N 344.455 2.744 0 50 EFAA CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CC[C@H](CO)C2)cc1 157855678 YXZLIXJEDLBQLP-QFBILLFUSA-N 344.499 2.962 0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NC[C@H](c2ccccc2)C2CC2)C1 263120344 CGJRTCQCBIPGRA-KBRIMQKVSA-N 330.428 2.932 0 50 EFAA Cc1ccccc1C(=O)NC1CCN(c2ncc(Cl)cn2)CC1 267043710 DAWRAGXPZCPKGJ-UHFFFAOYSA-N 330.819 2.837 0 50 EFAA CN(C)c1ncnc2c1ncn2CCOc1ccc(F)c(Cl)c1 901480793 UBCWMUPNFYXIEI-UHFFFAOYSA-N 335.770 2.764 0 50 EFAA CC1(C)CCC[C@@H](CS(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)O1 901597314 MQANCGIQKUXOMQ-NSHDSACASA-N 345.392 2.613 0 50 EFAA O=C(O)CC[C@@H]1Cc2ccccc2N(C(=O)Cc2cscn2)C1 902819819 KXTSNYLZEMNQBW-GFCCVEGCSA-N 330.409 2.756 0 50 EFAA O=C(Nc1nncs1)N1CCC(c2nc3c(s2)CCC3)CC1 929099891 MYCUOKUERPMIMV-UHFFFAOYSA-N 335.458 2.895 0 50 EFAA CCn1cnc2c1CCN([C@H](C)C(=O)Nc1cc(C)ccc1OC)C2 933263781 UWZPXXXVVQVYKR-CQSZACIVSA-N 342.443 2.605 0 50 EFAA CCCc1cc(C(=O)N2CCOc3cc(OC)ccc3C2)cc(O)n1 935864278 LSDLHSIOCTWJNR-UHFFFAOYSA-N 342.395 2.783 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@@H]([C@@H](C)O)C2)c1Br 120880305 JYFMGGJBGTXFNI-GHMZBOCLSA-N 327.222 2.992 0 50 EFAA NC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 4577041 NIKABXRTTKBVQX-UHFFFAOYSA-N 348.399 2.882 0 50 EFAA C[C@@H]1CCCn2cc(C(=O)NC[C@@H](C(=O)O)c3ccc(F)cc3)nc21 2325788599 RGNVVNXLGONMID-BXUZGUMPSA-N 345.374 2.518 0 50 EFAA COC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 77235 YJWNKEQUQDYGTQ-UHFFFAOYSA-N 340.408 2.654 0 50 EFAA CCOc1ccc(N2C(=O)c3ccc(OC)c(OC)c3C2=O)cc1 194916 KZQMXMJTJCTSMT-UHFFFAOYSA-N 327.336 2.903 0 50 EFAA COC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C)C2 1054979 RNKADNQRJQTQQF-SNVBAGLBSA-N 338.429 2.524 0 50 EFAA COC(=O)c1cc2oc3ccccc3c2n1C[C@@H](O)CN1CCCC1 2531954 QUOWUJIXMZFZRW-ZDUSSCGKSA-N 342.395 2.631 0 50 EFAA O=c1c2ccccc2ncn1-c1ccc(I)cc1 4866587 GPOAMJVYGCEACC-UHFFFAOYSA-N 348.143 2.990 0 50 EFAA CCCC(=O)Nc1ccc2c(c1)nc(CCn1ccccc1=O)n2C 6665116 LBCQBHPQXCCYKO-UHFFFAOYSA-N 338.411 2.716 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1 282233751 VAZCWYDZSDFPQZ-BVPBIZIASA-N 345.439 2.875 0 50 EFAA CCCn1cc(C(=O)N(CCCO)Cc2ccc(C)s2)c(C)n1 55340983 OVTKXMWYOYZNII-UHFFFAOYSA-N 335.473 2.996 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)CC(=O)Nc3ccccc3C)C2)n1 55271295 XKFRSPZOVNPGGF-INIZCTEOSA-N 340.427 2.611 0 50 EFAA COc1ccccc1-c1nc(CN2C[C@@H](CO)OC(C)(C)C2)cs1 420949845 WVNMPPLGKVTXJR-AWEZNQCLSA-N 348.468 2.790 0 50 EFAA O=C(c1cnc2sccn2c1=O)N1CCC[C@]2(CC=CCC2)C1 114436471 FZLFPYYKYJSDDA-QGZVFWFLSA-N 329.425 2.719 0 50 EFAA CC[C@H](C)[C@H](NC)C(=O)N1CCc2n[nH]c(-c3ccccc3F)c2C1 67789411 MWUIJWCIENZYGY-SJCJKPOMSA-N 344.434 2.735 0 50 EFAA CC(C)CCC[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721571 GNIIDDDPSJTGOK-OAHLLOKOSA-N 333.476 2.843 0 50 EFAA COc1cccc(NC(=O)c2cc3ncc(Br)cn3n2)c1 2793970 XDANTGRKCVOQGX-UHFFFAOYSA-N 347.172 2.753 0 50 EFAA CCCCc1nc(-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)c[nH]1 20202113 XRJMPPSMXZKWSD-UHFFFAOYSA-N 327.436 2.759 0 50 EFAA CC(C)COC(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65370835 PLMKKGVOKVJNJY-UHFFFAOYSA-N 342.399 2.744 0 50 EFAA Fc1ccc([C@@]2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1 65429389 KTNHBNBTNFPVEY-GOSISDBHSA-N 343.358 2.917 0 50 EFAA CC(C)=CCCn1nc(C2CCNCC2)n(-c2ccccc2)c1=O 67787882 HFHPRDHYHGJCLE-UHFFFAOYSA-N 326.444 2.857 0 50 EFAA CC[C@@H](O)Cn1cc(C2=CCN(CCN3CCCCCC3)CC2)cn1 65425416 NQPPUQLKSFJKNS-HXUWFJFHSA-N 346.519 2.619 0 50 EFAA Cc1ncsc1CCN(C)C(=O)c1ccccc1N1CCOCC1 67982880 MREGJYKMTIGVBB-UHFFFAOYSA-N 345.468 2.603 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc3ccccn3c2)c1 282613422 VJSIPYNETLYAPS-HKUYNNGSSA-N 336.391 2.896 0 50 EFAA CC1=NN(C(=O)c2ccccc2-n2cccc2)[C@](O)(C(F)(F)F)C1 374311 ACAAARRHTVKSKR-OAHLLOKOSA-N 337.301 2.950 0 50 EFAA Cc1nc2c(C(=O)N3C[C@H](O)C[C@H]3c3cccc(F)c3)cccc2[nH]1 282892318 WFLWXNGSVGXMTI-PBHICJAKSA-N 339.370 2.959 0 50 EFAA CNC(=O)[C@H]1CCCCN1C(=O)c1sc2ccc(OC)cc2c1C 173070527 QXOLDXKUELQMHF-CQSZACIVSA-N 346.452 2.959 0 50 EFAA C[C@H](C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 173071282 VCSGITNAHYMCAN-YOEHRIQHSA-N 342.418 2.847 0 50 EFAA CC[C@H]1CN(Cc2cncc(Br)c2)C[C@]2(CCOC2)O1 253428919 NXKTUOJKPPGGPT-GJZGRUSLSA-N 341.249 2.614 0 50 EFAA CCc1nc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(C)o1 356603035 YZJXRGDFVYPKSZ-IBGZPJMESA-N 346.402 2.752 0 50 EFAA CN(C[C@H]1CCCN1C)C(=O)Nc1ncc(C2CCOCC2)s1 333854812 OHRABOTZHFFXAJ-CYBMUJFWSA-N 338.477 2.595 0 50 EFAA COc1ccc(NC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1OC(C)C 363911750 UVAWGCXWHZOSSI-ZDUSSCGKSA-N 344.415 2.885 0 50 EFAA Cc1nn(C)c2ncc(C(=O)N[C@H](C)CCc3ccc(O)cc3)cc12 156075011 FXKWEDUKQZEPTI-GFCCVEGCSA-N 338.411 2.733 0 50 EFAA O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@H]2CNCCC[C@@H]21 368446711 MBYFHBDMPJVPIT-NKXVPCSKSA-N 326.440 2.625 0 50 EFAA Cc1cc(O)ccc1NC(=O)c1nc(N2CCCC2)ncc1Cl 156430056 NABTXLQZLJWGCN-UHFFFAOYSA-N 332.791 2.997 0 50 EFAA C[C@@H]1CN(c2ccccc2NC(=O)N2CCOCC[C@H]2C)C[C@@H](C)O1 378528357 SUACCNJIVJYGBP-BZUAXINKSA-N 347.459 2.943 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)NCc1ccc(-n2ccnc2)c(F)c1 157024725 DPCRFIMDLMABSP-UHFFFAOYSA-N 349.369 2.747 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 130492253 DCHFSPIFFOEXOT-ACJLOTCBSA-N 327.428 2.948 0 50 EFAA C[C@@H]1C[C@H](C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCO1 263008699 WFLHCQUPESKHBY-NXEZZACHSA-N 327.764 2.557 0 50 EFAA Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(C)c1 158318324 URXTUBXKDATPQP-CRAIPNDOSA-N 343.471 2.687 0 50 EFAA c1ccc(-n2cc(CCN[C@H]3CCOC4(CCOCC4)C3)cn2)cc1 77421448 RKLWXJHUJXNHGL-SFHVURJKSA-N 341.455 2.733 0 50 EFAA CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 242100109 WEJFECMZGLMGKN-MGPQQGTHSA-N 336.457 2.897 0 50 EFAA CCn1c(C)cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c1C 263167816 YNPUMEOZISZLRS-CQSZACIVSA-N 332.322 2.604 0 50 EFAA Cc1cc(C)n(C2CN(c3nccc(CCC(F)(F)F)n3)C2)n1 71746191 XVIUJOZRBKIJAR-UHFFFAOYSA-N 325.338 2.846 0 50 EFAA Cc1ccc(-c2ccnc(N[C@@H](C)c3nnc(N)s3)n2)c(C)n1 71589602 DXMZUFMEZIEJMT-JTQLQIEISA-N 327.417 2.762 0 50 EFAA Cc1ccsc1S(=O)(=O)N(C)c1cccc(CCC(=O)O)c1 342443692 VHRFBAAYYVFREN-UHFFFAOYSA-N 339.438 2.899 0 50 EFAA CN(Cc1cnccn1)c1cc(-c2ccccc2F)nc2ccnn12 72480921 VQSNXQLORDTJCZ-UHFFFAOYSA-N 334.358 2.962 0 50 EFAA Cc1nc(C)n(CCCNC(=O)CCCc2c[nH]c3ccccc23)n1 222710583 OQDRDKOARKMZCF-UHFFFAOYSA-N 339.443 2.905 0 50 EFAA CNCc1nnc(SCC[C@H]2CCOC2)n1-c1cccc(OC)c1 426389872 QEEBPDOVZXYBFJ-CYBMUJFWSA-N 348.472 2.514 0 50 EFAA CC(C)N1C[C@H](n2ccnc2-c2ccc3c(c2)OCCO3)CC1=O 82127822 ZZSJBNZBWRAXOT-CQSZACIVSA-N 327.384 2.503 0 50 EFAA COCc1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)o1 82091751 BYNAHGRUCAAJGM-HNNXBMFYSA-N 330.384 2.642 0 50 EFAA Cc1cnccc1NC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 179407963 DPRIRVRMWFXYFZ-LLVKDONJSA-N 346.337 2.595 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc21 293438056 ITMJIVWCMZBESF-MAZHCROVSA-N 340.423 2.604 0 50 EFAA CCc1nc(C(C)C)ccc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 293623450 WIEUDZQXSPJFKI-LJQANCHMSA-N 345.487 2.591 0 50 EFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC1 91950745 YMAQSLBEVQJKFN-KRWDZBQOSA-N 344.430 2.790 0 50 EFAA COc1ccc(-c2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)cn1 95384815 HFUPIWGOXNOERY-KRWDZBQOSA-N 335.411 2.796 0 50 EFAA Cc1ccc(CCNC(=O)c2cc(C(C)C)n3ncnc3n2)s1 91707417 FANGZDYEAYFCLZ-UHFFFAOYSA-N 329.429 2.590 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(F)c1 268892929 AYHAGZAOAYSYQR-WQHBLYJGSA-N 327.302 2.962 0 50 EFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCN[C@H](c2ccccc2)C1 97568882 XPTLFCOEHLGQFM-SFHVURJKSA-N 332.407 2.863 0 50 EFAA OC1(Cn2ccnc2)CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 97568987 AADXLYNYNVTUOR-MRXNPFEDSA-N 347.484 2.823 0 50 EFAA CSc1nccc(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1 91486056 RXLSRGDPAHQYLO-UHFFFAOYSA-N 334.489 2.673 0 50 EFAA CN(CC(=O)N1CCC(CCn2cccn2)CC1)c1ccccc1 91616699 MOWJDPHQUIGOGH-UHFFFAOYSA-N 326.444 2.648 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2ccc(Cl)cn2)C1 95366291 XZUCGUMFQZVRSO-CQSZACIVSA-N 333.867 2.877 0 50 EFAA O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 95390387 MGFLUYCEKPUBJJ-FUHWJXTLSA-N 341.480 2.809 0 50 EFAA CN1CCN([C@H]2CCN(Cc3ccccc3-c3ccco3)C2)CC1 97743633 BXWUUHZFBQJYGY-SFHVURJKSA-N 325.456 2.768 0 50 EFAA CCN1C[C@H](C(=O)NCCCSCc2cccc(C)c2)CC1=O 95382414 ROTGSDUFYDWPPO-MRXNPFEDSA-N 334.485 2.603 0 50 EFAA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)ccc1F 244708070 KMZZXMBMESJFRL-JZXOWHBKSA-N 328.387 2.641 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 244882761 XYMAWTXFIMUATC-SOUVJXGZSA-N 333.428 2.571 0 50 EFAA CC(=O)N[C@@H]1CCCN(Cc2cc(O)c3cccc(Cl)c3n2)C1 253536395 PDVGKCJWCKDXCA-GFCCVEGCSA-N 333.819 2.694 0 50 EFAA CN(C)C[C@H]1COCCN(Cc2nc(-c3ccccc3)cs2)C1 823690021 JWPLZDUGHXIXGN-OAHLLOKOSA-N 331.485 2.820 0 50 EFAA O=C(Nc1ccc(-c2cncnc2)cc1)c1ccnn1C1CCOCC1 1875267704 SHIQVCCCDKKFLX-UHFFFAOYSA-N 349.394 2.944 0 50 EFAA C[C@H](NC(=O)[C@H]1CC[C@H](N=c2cncc[nH]2)CC1)c1cccc(F)c1 1875297285 JNWQBWGWJCNSMO-ZQIUZPCESA-N 342.418 2.886 0 50 EFAA COC(=O)c1cc(I)c(C(F)(F)F)cc1N 71624154 ILCBGAMVQYUDFL-UHFFFAOYSA-N 345.058 2.679 0 50 EFAA in-vitro O=C(/C=C/CN1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 1875338132 OKCXBTIWKLXVMJ-ONEGZZNKSA-N 347.890 2.636 0 50 EFAA C[C@H](NC(=O)[C@H](N)Cc1n[nH]c2ccccc12)c1ccccc1Cl 1875346796 BRSJZGNAOBATEF-XHDPSFHLSA-N 342.830 2.964 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cc1 1875368096 PIFMNNQOELTKNV-QGZVFWFLSA-N 338.411 2.793 0 50 EFAA CO[C@H](C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)C)C2)c1ccccc1 1875344621 NGQFNLRJSNWHEB-ULQDDVLXSA-N 344.455 2.622 0 50 EFAA C[S@](=O)c1cccc(NS(=O)(=O)c2cccc3ccncc23)c1 1875317132 OJZNMPQPGZOUHL-QFIPXVFZSA-N 346.433 2.773 0 50 EFAA COc1cccc(C(=O)N2CCN(c3cc(F)cc(C)n3)CC2)c1 952991579 BBODEXYTUNRMKN-UHFFFAOYSA-N 329.375 2.500 0 50 EFAA CN[C@@H](C)c1nc(Cc2ccccc2OC)nn1CC(F)(F)F 952964045 MTAMATDLHOMECU-JTQLQIEISA-N 328.338 2.720 0 50 EFAA CCC1(Cn2cc(-c3csc(-c4ccccn4)n3)nn2)COC1 887343657 UBSFIFQNPMNNNL-UHFFFAOYSA-N 327.413 2.890 0 50 EFAA Cc1cc(C)n(Cc2cccc(-c3noc([C@@H](F)C4CNC4)n3)c2)n1 888096945 SLIZJEIUGLFGHU-INIZCTEOSA-N 341.390 2.828 0 50 EFAA O=C(CCCn1cccn1)Nc1ccccc1[S@](=O)C(F)(F)F 1775998748 IQUUXMWIKMYIFI-QHCPKHFHSA-N 345.346 2.929 0 50 EFAA C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccn1)c1ccc(F)cc1 1365778305 ZSGMKTVAFHCCAU-LLVKDONJSA-N 330.363 2.805 0 50 EFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCC(C2CCNCC2)CC1 1161213995 MJHRZJBTIDBIAS-UHFFFAOYSA-N 346.862 2.840 0 50 EFAA Cc1cc(COCC(=O)N2CCCCC[C@@H]2c2cccn2C)on1 669893915 JTOZAOPQZHEWGJ-QGZVFWFLSA-N 331.416 2.982 0 50 EFAA CCc1cnccc1C(=O)NS(=O)(=O)Cc1ccccc1Cl 170077785 NNTHGCQQFKFLAH-UHFFFAOYSA-N 338.816 2.557 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H](C)c2cnn(C)c2)cc1 281091037 UMODQVYJYQDDRI-OAUYIBNBSA-N 328.416 2.735 0 50 EFAA C[C@@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccc2ccccc2c1 634636964 MVPQUBIDRGPEPV-BEFAXECRSA-N 329.440 2.783 0 50 EFAA C[C@@H]1CN(CCSc2nnc(Cc3cccs3)o2)CCO1 188309660 LSBPUKBXPRCRJI-LLVKDONJSA-N 325.459 2.535 0 50 EFAA COCCCCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 188331635 NSOYVQLEEALRDF-ZIAGYGMSSA-N 328.453 2.707 0 50 EFAA Cc1nc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c(C)o1 408520641 PSDVKCFUXSLPGT-AWEZNQCLSA-N 327.428 2.886 0 50 EFAA CCOC(=O)[C@@H](CC(C)=O)NC(=O)c1coc2ccc(CC)cc12 408517361 CTFJZIBTENXTOM-OAHLLOKOSA-N 331.368 2.636 0 50 EFAA CC[C@]1(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)CCCN1 638681619 KYQOEMSAULCLGE-LJQANCHMSA-N 346.475 2.650 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 225418093 JLSCGVZEBYUQQV-STQMWFEESA-N 341.238 2.834 0 50 EFAA COCCCN(C)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 190855755 HEGAQSAMKBELIZ-GFCCVEGCSA-N 348.369 2.627 0 50 EFAA O=C(Nc1cnns1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 192218445 VKUPOQODYFKRBE-JTQLQIEISA-N 349.391 2.560 0 50 EFAA CC(C)Oc1cccc(C(=O)N2C[C@@H](CO)Cc3ccccc32)n1 646526416 GFWGMPQZAXNIHN-AWEZNQCLSA-N 326.396 2.680 0 50 EFAA COc1ccc(C2(NC(=O)Cn3ccc(C)cc3=O)CCCC2)cc1 194523729 XPZICJJTJAKMPR-UHFFFAOYSA-N 340.423 2.751 0 50 EFAA Cc1cc(C)c(CCNC(=O)[C@H]2CC(c3cccnc3)=NO2)c(C)c1 790364484 CDZITBHPKIQYNF-LJQANCHMSA-N 337.423 2.859 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)NC2CCCCC2)[C@H]1c1ccccc1 1529120541 AJXPXEDPNRILEZ-MOPGFXCFSA-N 344.455 2.812 0 50 EFAA CCCC[C@@H]1CN(Cc2c(CO)cnc(C)c2O)C[C@H](C2CC2)O1 1529112901 VFXJJCAIXVRHLD-SJLPKXTDSA-N 334.460 2.758 0 50 EFAA COc1cc(CN2C[C@H]3CCCN3C(=O)[C@H]2C)cc(Cl)c1OC 1772709654 IVSUBTLFZKVRMT-DGCLKSJQSA-N 338.835 2.552 0 50 EFAA COc1ccc(-c2nc(CN3CCC[C@H]3CO)c(C)o2)c(OC)c1C 11759989 INJYEKXAYKJKIL-AWEZNQCLSA-N 346.427 2.932 0 50 EFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cccc(Cl)c1 11879145 STNZCYCLNRNMMV-GOSISDBHSA-N 336.863 2.583 0 50 EFAA CSCCNC(=O)c1coc(COc2ccc3ncccc3c2)n1 15064618 ZQVCGSHNWHIEIH-UHFFFAOYSA-N 343.408 2.895 0 50 EFAA COc1ccc(Cl)c2c(O)c(CN3CCN(C)CC3)c(C)nc12 19793514 DZQJZNYWKXDLAR-UHFFFAOYSA-N 335.835 2.658 0 50 EFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)C1CCC1 1857715712 DSUMHBLGTSJRDM-DODZYUBVSA-N 346.496 2.644 0 50 EFAA Nc1ncnc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Cl 302048080 MAODPUAVOYYCJW-NSHDSACASA-N 331.807 2.567 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1N=c1nc(C(C)(C)C)[nH]s1 328627146 MLHIMCZJOMTQMM-RYUDHWBXSA-N 335.477 2.806 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cnn(C)c1)C2 643257749 APRNCIZEBGWKCC-UHFFFAOYSA-N 330.388 2.634 0 50 EFAA CC(C)c1ccoc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 648427838 DXISRCDVUAMFIE-YOEHRIQHSA-N 341.411 2.747 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cccc3nccnc23)c1 337525424 XNDBYVHEEAZJSE-KSSFIOAISA-N 349.390 2.587 0 50 EFAA Cc1cc(-c2nc(C(=O)N(C)[C@@H](CO)CC(C)(C)C)co2)ccn1 456430314 WYXMJICZFNADAX-CQSZACIVSA-N 331.416 2.914 0 50 EFAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 353196539 UMTKHMIDFFJGCR-KBPBESRZSA-N 331.334 2.558 0 50 EFAA Cc1ccn(CC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(=O)c1 252503350 VBXNZCRCEOEHBF-UHFFFAOYSA-N 342.786 2.635 0 50 EFAA O=C(O)[C@@H]1CC12CCN(C(=O)C1(c3ccc(F)cc3)CCC1)CC2 675949577 BANZWOUFHPMFFF-HNNXBMFYSA-N 331.387 2.961 0 50 EFAA C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H](C)O1 19956789 DEQCLMVGATVMOO-LOWVWBTDSA-N 334.243 2.842 0 50 EFAA Clc1cnn([C@@H]2CCN(Cc3c[nH]nc3-c3cccnc3)C2)c1 365610433 QNSUEIHSYNCRJE-OAHLLOKOSA-N 328.807 2.769 0 50 EFAA O[C@]1(C2CC2)CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 373244381 KTOCSUGVLVUORT-QGZVFWFLSA-N 333.819 2.779 0 50 EFAA CN1CCC2(CCN(Cc3cc(-c4ccccc4)on3)CC2)C1=O 375672995 DOOXZANIRNUELD-UHFFFAOYSA-N 325.412 2.786 0 50 EFAA Cc1nnsc1[C@H](C)NC[C@@H](O)c1cccc(Br)c1 1875285720 XDSORCNVKCKOLF-QPUJVOFHSA-N 342.262 2.993 0 50 EFAA C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2Cc1ccc(C(=O)O)c2cccnc12 903911890 RTCZOHWGKUKPBM-AADNMHCOSA-N 326.396 2.667 0 50 EFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCC[C@H](n2ccnn2)C1 823241202 RZTKYUXOSDMRAW-KRWDZBQOSA-N 335.411 2.674 0 50 EFAA CC(C)c1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)c(O)n1 826018562 DXECJHSCGHRHGF-UHFFFAOYSA-N 328.359 2.581 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)c1ccc(F)c2occc12 826901375 UUNUUJSUOMOAIW-UKRRQHHQSA-N 329.331 2.565 0 50 EFAA O=C(NC[C@H]1CCC2(CCOCC2)O1)c1coc(-c2ccccc2)n1 832384610 JOBIHDLHMORTRY-OAHLLOKOSA-N 342.395 2.800 0 50 EFAA CCn1ccc(CN(C)C(=O)C[C@@H]2CC(=O)Nc3ccccc32)c1 935610491 POELIZHLWBDEPY-HNNXBMFYSA-N 325.412 2.983 0 50 EFAA Cc1ccc(C)c(-n2ncc(NC(=O)[C@H]3C[C@@](F)(CN)C3)c2C)c1 2325778707 KRLHVCHLQNJMPI-PPUGGXLSSA-N 330.407 2.813 0 50 EFAA Cn1cnc(-c2ccc(OC(=O)C3(c4cccnc4)CCC3)cc2)n1 2325790710 CTLLHYMHSAETCZ-UHFFFAOYSA-N 334.379 2.904 0 50 EFAA COCc1cnc(OC)c(-c2nc(-c3cnn4ccccc34)no2)c1 2325821410 MNNVLOUYPYMJMR-UHFFFAOYSA-N 337.339 2.601 0 50 EFAA Cc1ocnc1-c1noc(C[C@H]2Sc3ccccc3NC2=O)n1 351020129 XBFPXCFAEPUWRN-LLVKDONJSA-N 328.353 2.689 0 50 EFAA O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cccc(F)c2)CC1 204994 YOVREYNSJCOGAW-UHFFFAOYSA-N 344.361 2.953 0 50 EFAA Cc1ccc(NC(=O)C[C@H]2OCCN(Cc3ccccc3)C2=O)cc1 339216 KVAZGXILHIBXFT-GOSISDBHSA-N 338.407 2.751 0 50 EFAA O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCO2 587099 YBLLKBQZSCCHIR-UHFFFAOYSA-N 326.352 2.504 0 50 EFAA CSc1nsc(SCC(=O)Nc2nnc(C(C)C)s2)n1 4488442 PXFQZUUNDUSLEI-UHFFFAOYSA-N 347.516 2.966 0 50 EFAA COc1cc(Br)c(CN2CCCC[C@H]2CO)cc1OC 4985901 XJYDLFYYKDXPDB-LBPRGKRZSA-N 344.249 2.813 0 50 EFAA Cn1nnnc1NCc1ccc(-c2ccc(Br)cc2)o1 4998583 DFKYFBSENVRHIT-UHFFFAOYSA-N 334.177 2.845 0 50 EFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)CCc1ccccn1 55404951 XTBVCXQCUYBPAU-GOSISDBHSA-N 327.428 2.982 0 50 EFAA COCCn1cncc1CNC(=O)c1cc2cc(C)ccc2nc1C 55255342 YHWZFUPCLDGSMM-UHFFFAOYSA-N 338.411 2.625 0 50 EFAA O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)c1ccco1 9225280 SPEPCDABUGCBFG-UHFFFAOYSA-N 346.342 2.628 0 50 EFAA Cc1ccc([C@H]2N=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 9287497 FXWPYFIIACGHGL-KRWDZBQOSA-N 337.427 2.674 0 50 EFAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CCCC[C@H]1Cn1cccn1 247734960 JXGMBGOMAOQSRU-RBUKOAKNSA-N 338.455 2.758 0 50 EFAA Cc1cc(NC(=O)c2ccncc2F)nn1-c1ccc(F)cc1F 346213596 YACNXRHNRHCDAA-UHFFFAOYSA-N 332.285 3.245 0 50 EFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)c1ccccc1C(F)(F)F 229373687 YEAGQEKAZFXCCW-JTNHKYCSSA-N 341.329 2.914 0 50 EFAA Cc1nc(NC(=O)N[C@H](CCn2ccnc2C)c2ccccc2)n[nH]1 23478416 BKRZMAWHKYAEQE-OAHLLOKOSA-N 339.403 2.571 0 50 EFAA CCOc1cc(Cl)c(CNCCCN2CCOCC2)cc1OC 20027244 XTKVLZHQXCNBSP-UHFFFAOYSA-N 342.867 2.559 0 50 EFAA Cc1cc2ccccc2n1CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 119840791 FPARYGMFLJJFIU-QGZVFWFLSA-N 347.418 2.956 0 50 EFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1-n1cnnn1 229728188 UOCVUOWTWAPXGN-SIXWZSSISA-N 339.443 2.915 0 50 EFAA CCCn1cc(CN(Cc2scnc2C)C[C@@H]2CCNC2)cn1 328634967 MZWVCHRJNLYZJS-OAHLLOKOSA-N 333.505 2.670 0 50 EFAA CC[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1F 252669703 IKZPKGSUYYAVKE-XFBWCDHKSA-N 346.443 2.676 0 50 EFAA Cc1ccsc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1C 333139584 YMCFLZTWXNMMAK-NSHDSACASA-N 325.459 2.562 0 50 EFAA COC(=O)c1scc(C)c1NC(=S)NC(=O)c1ccccc1 2571160 SHAYGVREBHFORW-UHFFFAOYSA-N 334.422 2.970 0 50 EFAA CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCCC2(C1)OCCO2 253428130 PEHYAULPNRIMJH-OAHLLOKOSA-N 342.480 2.622 0 50 EFAA O=C(Nc1cnn(Cc2ccccc2)c1)c1cnc2ccncc2c1O 253630218 QXLJHDROFMQWFU-UHFFFAOYSA-N 345.362 2.833 0 50 EFAA O=C(O)C[C@@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 4720673 YDLVDMUKKCZZHI-OAHLLOKOSA-N 341.363 2.680 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[C@H](CO)CC1 152404244 NXGYJVBXMPSEPV-CEXWTWQISA-N 345.487 2.501 0 50 EFAA Cc1ccc(-c2nnc([C@H](C)N3CCC[C@H]3Cn3cncn3)o2)cc1 257365772 LYPRIJQXVGUYHV-HOCLYGCPSA-N 338.415 2.862 0 50 EFAA CC(C)c1cc(NCCc2nc3ccccc3c(=O)[nH]2)n2nccc2n1 72169456 VEYPJRVIRGOHHD-UHFFFAOYSA-N 348.410 2.744 0 50 EFAA CCc1cc(NC(=O)CCCc2nnc(-c3ccccc3)o2)[nH]n1 120731474 OPZWIHSRKDDTTE-UHFFFAOYSA-N 325.372 2.984 0 50 EFAA Nc1ccnc(N2CCC[C@](Cc3cccc(Cl)c3)(C(=O)O)C2)n1 71404077 AYKPFKQETGKZMP-QGZVFWFLSA-N 346.818 2.626 0 50 EFAA O=S(=O)(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccc2c1OCC2 333760342 COEWRZPKEUMWAH-BPQIPLTHSA-N 341.432 2.628 0 50 EFAA Cc1ccccc1OC1(C(=O)O)CCN(Cc2ccc(CO)o2)CC1 72463210 QRHGHLWXVTXDRT-UHFFFAOYSA-N 345.395 2.579 0 50 EFAA O=C(Nc1cccc(N2CCCNC2=O)c1)[C@H]1Cc2ccccc2O1 174091917 APDFXADMSITCRA-QGZVFWFLSA-N 337.379 2.549 0 50 EFAA Cc1nonc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72435255 DXASFLWYDUQXCY-CYBMUJFWSA-N 329.335 2.761 0 50 EFAA CC1=CCCN(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 369172283 AJBYXCUCIBIVGR-SJLPKXTDSA-N 328.460 2.654 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)[C@@H]1CCCNC1 156739675 UISGGMAJFYNEAP-QGZVFWFLSA-N 349.434 2.828 0 50 EFAA CCOc1cc2c(cc1CNC(=O)c1cc(C(=O)O)co1)O[C@@H](C)C2 262371052 LTKMXKWSRISHQB-JTQLQIEISA-N 345.351 2.630 0 50 EFAA c1cc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c2cc[nH]c2c1 241170939 KCZCWZSZRSAOAD-UHFFFAOYSA-N 347.426 2.953 0 50 EFAA O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccccc1COC1CCOCC1 127468250 PGYFFGZALOSCDW-WBVHZDCISA-N 347.455 2.663 0 50 EFAA COCc1cc(-c2nccn2C[C@@H](O)C(F)(F)F)ccc1OC 77303744 NUJBZLUOUVXFJM-CYBMUJFWSA-N 330.306 2.628 0 50 EFAA COCc1cccc(CC(=O)NCCc2ccc3c(c2)CCO3)c1 242273672 YEXJYFNCFBGNIX-UHFFFAOYSA-N 325.408 2.669 0 50 EFAA Cc1ccc(N2CCN(C(=O)Cc3c(C)nc4ccccn34)CC2)cc1 216339774 IROUPIGKECDWGY-UHFFFAOYSA-N 348.450 2.842 0 50 EFAA CCCNc1ncc(CN2CCC(CCn3cccn3)CC2)cn1 77423819 VLMVBKWMQFHZPA-UHFFFAOYSA-N 328.464 2.797 0 50 EFAA COCCCN(C(=O)C1(c2ccc(C)cc2)CC1)C1CCN(C)CC1 72427175 MXQJFQJAIITIMY-UHFFFAOYSA-N 344.499 2.986 0 50 EFAA COc1cccc(CNC(=O)N2CCCC[C@H]2c2nccs2)n1 176289686 NRMQCALAPBTVIM-ZDUSSCGKSA-N 332.429 2.984 0 50 EFAA COCCc1nsc(NC[C@H](c2c(F)cccc2F)N(C)C)n1 176931775 LLINLLAPZKBIPS-GFCCVEGCSA-N 342.415 2.720 0 50 EFAA Cc1n[nH]nc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 194006337 JVBSQXGIKKOWCF-GFCCVEGCSA-N 341.198 2.634 0 50 EFAA Cc1ccc(CNC(=O)c2cccc(OCCN)c2)c2cccnc12 426511844 WZDUYOAUDUKARO-UHFFFAOYSA-N 335.407 2.811 0 50 EFAA NC[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 178513711 YCBPBLGHGDVIOB-INIZCTEOSA-N 348.450 2.765 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cnc2c(F)ccc(F)c2c1 292686719 AGSMYSFEIPPGFB-CVEARBPZSA-N 331.366 2.870 0 50 EFAA CCc1cnc(C)nc1N1CCC(NCc2nc(C)cc(C)n2)CC1 95508265 CLLHGNLCBQOOGN-UHFFFAOYSA-N 340.475 2.513 0 50 EFAA C[C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@]1(O)C1CCC1 91289558 PPHARWIWPMCDQI-UZLBHIALSA-N 331.456 2.993 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(C(C)=O)cc3)[C@H]2C1 426435036 VITRWWLETDUBAT-ZIFCJYIRSA-N 331.412 2.688 0 50 EFAA CN(c1ccccc1)c1cc(N2CCC[C@@H]2c2nncn2C)ncn1 293313309 ZKDBBNJCZAJOTA-OAHLLOKOSA-N 335.415 2.715 0 50 EFAA O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc(OCc2cccnc2)c1 269099661 HNSRPTTULIHNPS-PKOBYXMFSA-N 340.423 2.942 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)c2c(C)noc2n1 95523589 BTFGGFJOYHKANT-ZDUSSCGKSA-N 339.399 2.593 0 50 EFAA COc1ccc(C)c(NC(=O)NCCC(=O)NC2CCCCC2)c1 95517188 UIWKEUNNZFHLLP-UHFFFAOYSA-N 333.432 2.964 0 50 EFAA CCOCc1nc([C@H](C)n2nc(C)cc2C)n(C2CCN(C)CC2)n1 95499931 HXOGGEROKWGWSP-HNNXBMFYSA-N 346.479 2.504 0 50 EFAA CCCn1ccnc1CNC(=O)c1c[nH]nc1-c1cccc(F)c1 91602682 IMVWWEWJRZIKNZ-UHFFFAOYSA-N 327.363 2.752 0 50 EFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cccc(-n2cnnc2)c1 91738118 WJOPRHFAWLSYSG-MRXNPFEDSA-N 337.383 2.849 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(CN3CCCC3)cc2)C1 97499668 AVPHLJXAZSNQBD-QGZVFWFLSA-N 341.499 2.981 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1OC)CC2 91326977 TVNCDUJBZNZUIP-UHFFFAOYSA-N 344.455 2.868 0 50 EFAA Cc1ccc(C)c2c(=O)cc(CNCc3ccc4nonc4c3)[nH]c12 91986250 NEAOSRWRYQUYNJ-UHFFFAOYSA-N 334.379 2.971 0 50 EFAA NC(=O)c1ccc(OCCCN2CCC[C@H]2c2ccccn2)cc1 244641233 GLUQDCFPUPATRW-SFHVURJKSA-N 325.412 2.787 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1CC(=O)NC1CCCCC1 244724038 MMKKSPGGIXDAJW-SFHVURJKSA-N 332.492 2.885 0 50 EFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1cccc(C(F)(F)F)c1 245224485 XDHUTSQZCOZBEW-DUBDDPSESA-N 336.313 2.882 0 50 EFAA CC1=C2CCCC[C@@]23[C@H]1[C@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21 253588239 REOSPZRTUYDXNG-NEYJZJCJSA-N 347.418 2.973 0 50 EFAA C[C@]1(c2ccccc2)CN(C(=O)c2cccc(C(=O)O)c2)CCO1 299744794 PYJPWUMEDHGZPX-LJQANCHMSA-N 325.364 2.773 0 50 EFAA CCN1CCC[C@@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C1 376151294 QCRYZTLZAIQVAZ-GOSISDBHSA-N 330.476 2.530 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc2c(c1)OCCO2 299796960 OKFSEXLHIGZIFC-UHFFFAOYSA-N 330.388 2.552 0 50 EFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc(C)c(C)cc1OC 823086680 QWJFAONNQIOKOA-OAHLLOKOSA-N 341.473 2.892 0 50 EFAA CCc1cccc(OCCN(C)C(=O)NCCc2nnc(C)s2)c1 584889399 BJPSKNWMGVZPPX-UHFFFAOYSA-N 348.472 2.672 0 50 EFAA O=C(O)Cc1cccc(CNC(=O)C[C@@H]2CCc3ccccc3N2)c1 1875307573 RDJGNKGBDRACEC-KRWDZBQOSA-N 338.407 2.747 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320291 OFNQITSJNSGRDX-WDEREUQCSA-N 342.317 2.961 0 50 EFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cncc(Cl)c3C)C2)o1 952891046 UFUKHVIRYZSQOB-NEPJUHHUSA-N 334.807 2.876 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@@H]2CCOCCC2(F)F)c(Cl)c1 1875286072 FFSFDNYLJZRWQQ-LLVKDONJSA-N 333.718 2.582 0 50 EFAA O=S1(=O)CCCN1[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 1875275044 RUSPFXXIBOTNSV-GFCCVEGCSA-N 349.283 2.603 0 50 EFAA O=C(O)[C@H]1CS[C@@H](c2ccncc2)N1Cc1ccc2c(c1)CCO2 1875283178 IKTFIAIHVLFPGI-WBVHZDCISA-N 342.420 2.717 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)N2CCCC[C@H]2c2nc(C)no2)n1 1875257840 AXPPWZAZCFMRCD-WFASDCNBSA-N 346.435 2.517 0 50 EFAA CCc1n[nH]c2c1CN(c1nc(C(C)(C)C)nc3c1cnn3C)CC2 72145324 YIAOAJGTXMCNBI-UHFFFAOYSA-N 339.447 2.509 0 50 EFAA O=C(CCCn1cncn1)N1CCn2cccc2[C@@H]1c1cccs1 952976242 VHZBTSXWANRPNN-QGZVFWFLSA-N 341.440 2.553 0 50 EFAA Cc1cccc2ncnc(NC[C@@H]3CC(=O)N(C)[C@H]3c3ccncc3)c12 886065998 DZYAICGYBCDPON-KXBFYZLASA-N 347.422 2.965 0 50 EFAA Cc1ccc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc1Cl 1774207992 XVUWEXFRICTMEI-UHFFFAOYSA-N 334.807 2.842 0 50 EFAA Cn1nc(C(=O)NC2(C(=O)O)CCCCC2)cc1-c1ccc(F)cc1 899538414 ONEDHWJEJALZCX-UHFFFAOYSA-N 345.374 2.744 0 50 EFAA CCCc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)no1 1565509955 VMENKBNVDWTXQG-WMZOPIPTSA-N 344.411 2.731 0 50 EFAA O[C@@H](C[C@@H]1CCCCCN1c1nccn2cnnc12)c1ccccc1 271349602 NMSUOPRPAUGMHT-IRXDYDNUSA-N 337.427 2.997 0 50 EFAA Cc1oc(-c2cccs2)nc1CN(C)[C@H](C)CN1CCOCC1 279666281 DMDIWTDZIFVFSH-CYBMUJFWSA-N 335.473 2.864 0 50 EFAA Nc1ccc2c(N3CCC[C@H]3c3ccc4c(c3)OCCO4)ncnc2n1 301750351 ALKKQBJJVYJJDX-AWEZNQCLSA-N 349.394 2.720 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCOc3c(F)cccc32)n[nH]1 188217209 SCPUKVNKMDXUGT-BONVTDFDSA-N 332.379 2.611 0 50 EFAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 188478075 KTIUBELFVZWLCZ-SNVBAGLBSA-N 349.843 2.766 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1 408520377 BIHHTUVAVDWMRL-ZIAGYGMSSA-N 348.447 2.519 0 50 EFAA COc1cc(O)cc(NS(=O)(=O)c2ccccc2OC(F)F)c1 225564632 RIXYTCFYODWFHR-UHFFFAOYSA-N 345.323 2.803 0 50 EFAA O=C(c1cc(C(F)F)[nH]n1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 640244654 MZXPQGZCZWELBH-OKILXGFUSA-N 346.381 2.551 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CCc2ccco2)C1 190567428 GBDWGMTWDIPFKQ-OAHLLOKOSA-N 347.484 2.958 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCOc2ccc(Cl)cc2)C1 644118648 SFWFDPATIRWFHK-CABCVRRESA-N 349.818 2.821 0 50 EFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1csc(Cl)c1)CC2 191756401 FJMCORKNWNDNLY-RYUDHWBXSA-N 329.849 2.794 0 50 EFAA CN1C[C@H](C(=O)Nc2cccc(Cl)c2Br)CC1=O 192274402 ZAQRXGBAGDQDDE-SSDOTTSWSA-N 331.597 2.519 0 50 EFAA COC[C@@H](NC(=O)NCc1ccnc(C)n1)c1ccc(Cl)cc1 194276809 WUKRDRYNIIKTCA-OAHLLOKOSA-N 334.807 2.625 0 50 EFAA Cc1ccc(OCCN(C)S(=O)(=O)N2CCCCC2)c(Cl)c1 1506410167 JQMNFBNZHBOMOG-UHFFFAOYSA-N 346.880 2.690 0 50 EFAA COCCn1cnnc1CN(C)c1nc(-c2ccc(F)cc2)cs1 1529180123 BQRSOKZHHZZKHR-UHFFFAOYSA-N 347.419 2.824 0 50 EFAA Cc1n[nH]c(C)c1CCCNc1nnc([C@H](N)Cc2ccccc2)o1 1772707182 ZGYBMCVCGWPVMO-MRXNPFEDSA-N 340.431 2.697 0 50 EFAA O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](Cc2ccccc2)C1 11816706 IVQONSHWIDKGIA-FQEVSTJZSA-N 347.418 2.956 0 50 EFAA NC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 13690128 XARFZFBFLHKROY-UHFFFAOYSA-N 348.341 2.797 0 50 EFAA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(F)c2)n2ncnc2N1 17832006 OINVORJROPVTAV-MRXNPFEDSA-N 341.390 2.719 0 50 EFAA COCCOCn1cc(-c2csc(-c3ccc(OC)cc3)n2)nn1 1857533187 GXEIFSCQGVJDIS-UHFFFAOYSA-N 346.412 2.698 0 50 EFAA Cn1cc([C@@H]2C[C@@H](NC(=O)c3ccc(F)cc3Cl)CCO2)cn1 408517890 OKTBUEBOMCIEMN-WFASDCNBSA-N 337.782 2.863 0 50 EFAA O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)N[C@H]1CCCC[C@@H]1CO 225257422 IWVOOFYBSRCFEB-XWTMOSNGSA-N 332.444 2.615 0 50 EFAA CC1CCN(C[C@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 117775596 WOYKGICCMBGUCW-QZTJIDSGSA-N 345.487 2.819 0 50 EFAA Cc1cnccc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 122321425 MJTBCAWJPKPGOE-UHFFFAOYSA-N 346.475 2.746 0 50 EFAA CCc1nc2ccc(Cl)cn2c1C(=O)N[C@H]1CC12CCOCC2 333971248 WBVJUQNFUDNRIM-ZDUSSCGKSA-N 333.819 2.849 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 238084912 WLJUBIFNZHRQEO-HNNXBMFYSA-N 331.412 2.874 0 50 EFAA Cc1cc(C)c(CC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(C)c1 337140260 HAEPFVIRVJQBOT-IPMKNSEASA-N 331.456 2.543 0 50 EFAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1cccc(F)c1)C[C@H]1CCCO1 252511738 KGUAYWABIHVLHD-BRSBDYLESA-N 333.403 2.901 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc12 676630058 RHJLEWSXHYCXOB-INIZCTEOSA-N 327.432 2.622 0 50 EFAA Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCCC13CCOCC3)CCC2 253395073 MDEKYWJOVLYWAN-HOTGVXAUSA-N 346.475 2.717 0 50 EFAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 20230989 KKXWTUYDLQVOOO-FQEVSTJZSA-N 338.451 2.936 0 50 EFAA in-vitro CCCNC(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 265870761 HTWZYAQPGYMEDW-MRXNPFEDSA-N 340.427 2.917 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)[C@H]1CCOC1 267002389 CWYGSGNFVIKRDL-QILLFSRXSA-N 334.435 2.721 0 50 EFAA O=S(=O)(c1cccc2ccncc12)N1CCC[C@H]1[C@@H]1CCCO1 915349259 RZULTGUUMMGGOG-HOTGVXAUSA-N 332.425 2.567 0 50 EFAA CC[C@H]1c2ccccc2CN1C(=O)Nc1cnc(OC)c(C(N)=O)c1 930397461 RNOZSMMQXSDYGZ-HNNXBMFYSA-N 340.383 2.688 0 50 EFAA O=C(NCc1ccncc1)c1cnc(Nc2ccc(F)cc2F)nc1 243364890 MCMILLGOSUVHIW-UHFFFAOYSA-N 341.321 2.823 0 50 EFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Br)o2)C1 379276585 OWEKJRRPNDBLAD-HTRCEHHLSA-N 341.127 2.536 0 50 EFAA Cc1ccc2c(c1)O[C@@](NCc1ccco1)(C(F)(F)F)C(=O)N2 19858598 GEEVXXMENDHVQF-CQSZACIVSA-N 326.274 2.967 0 50 EFAA COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 555603 WTVWFXYFNKHZFB-UHFFFAOYSA-N 347.436 2.980 0 50 EFAA CC(=O)c1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1 870123 PJLRWPNXTXMZHC-UHFFFAOYSA-N 333.394 2.695 0 50 EFAA CCCCc1nc(SCC(=O)N(c2ccccc2)C(C)C)nn1N 2597922 BIQFDCXXDGNEJJ-UHFFFAOYSA-N 347.488 2.868 0 50 EFAA Cc1ccc(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 2865342 QPLJTZAKSXGXRZ-GOSISDBHSA-N 334.419 2.933 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)C1 2980900 ROWPTCGGQNROSC-SNVBAGLBSA-N 348.262 2.878 0 50 EFAA CC1(C)[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]2CCO[C@H]21 247249235 PZYRYEXZBBAFPO-FCGDIQPGSA-N 342.483 2.828 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 115037630 KYNLDQKXRZICIP-INIZCTEOSA-N 338.363 2.660 0 50 EFAA COCc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 345596744 JPONTTNFQILUFS-IAQYHMDHSA-N 337.322 2.652 0 50 EFAA CCn1c(S)nnc1CNC(=O)c1cc2c(C)c(C)ccc2[nH]1 116751441 GSBZJGAMEGTAQP-UHFFFAOYSA-N 329.429 2.615 0 50 EFAA Cc1ccc(NC(=O)NC[C@H]2CCCN(C3CCN(C)CC3)C2)cc1 67723475 FKSCTCYFSOKJMN-QGZVFWFLSA-N 344.503 2.923 0 50 EFAA Cc1nc(NCCNC(=O)Nc2ccc(C)c(C)c2)cc(N(C)C)n1 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CC[C@H](C)c1cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)on1 328618946 FGPBEBMEFVLLOM-ZOWXZIJZSA-N 332.404 2.572 0 50 EFAA C[C@@]1(NC(=O)NCCc2nc3c(s2)CCCC3)CCO[C@H]1C1CC1 368347253 WVWVOJQIQBFKAG-FUHWJXTLSA-N 349.500 2.821 0 50 EFAA CC(C)c1nc(N2CC(N3CCCC[C@@H]3C)C2)c2cnn(C)c2n1 72171145 QZSDZZGDYGCNGE-ZDUSSCGKSA-N 328.464 2.550 0 50 EFAA CCOc1ccccc1N1CCN(C(=O)CC[C@H]2CCCO2)CC1 75536802 AIDBZUPVJRQKMJ-MRXNPFEDSA-N 332.444 2.693 0 50 EFAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCN(c2ncccn2)CC1 241383242 MTQLUIBCRBCZPZ-MDMSPXHWSA-N 340.471 2.634 0 50 EFAA c1ccc2[nH]c(-c3nccn3-c3ccc(-n4cncn4)cc3)nc2c1 72174197 XNXJJMJBBLEABU-UHFFFAOYSA-N 327.351 2.996 0 50 EFAA Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 374343015 WGDLGVDQDUUCLM-KRWDZBQOSA-N 348.406 2.609 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)Nc1ccc2c3c(cccc13)CC2 158122429 DEBURYQKMRZWIU-XJKSGUPXSA-N 340.423 2.942 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCn3ccnc3)C2)cc1 131886378 CEQCWTDRZXATOR-KRWDZBQOSA-N 341.459 2.725 0 50 EFAA COc1ccccc1O[C@@H]1CCCN(C(=O)c2cnc(O)cc2C)C1 376476223 YIDQYTWFQZPONK-CQSZACIVSA-N 342.395 2.788 0 50 EFAA C[C@@H](NC(=O)NCc1noc2c1CCCC2)[C@@H]1COc2ccccc21 376978475 MKVZXFHVHNAFRO-DOMZBBRYSA-N 341.411 2.917 0 50 EFAA Cc1cc(NCCc2cn3nc(C)sc3n2)n2nc(C)c(C)c2n1 72421591 NTWOIUIKMIKMOO-UHFFFAOYSA-N 341.444 2.722 0 50 EFAA C[C@H](c1ccccc1)[C@H](O)CN(C)CC(=O)Nc1cc(F)cc(F)c1 450557083 VITIIWFDEZHRNS-FZKQIMNGSA-N 348.393 3.000 0 50 EFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1nccnc1N 286707520 CJJLUDKBNKEJTR-OCCSQVGLSA-N 326.400 2.681 0 50 EFAA CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC3(CC2)OCCO3)C1 175899607 MEJJGJSPQPJTQG-ZIAGYGMSSA-N 328.478 2.599 0 50 EFAA COc1ccccc1CCC(=O)N1C[C@H](C(=O)O)c2ccccc21 177483666 ZJMOAHKLMVWVPZ-HNNXBMFYSA-N 325.364 2.843 0 50 EFAA CC(=O)c1cc(C(=O)N(C)Cc2nc3c(s2)CCCC3)n(C)c1 176866238 WPSGZAHETJDFEA-UHFFFAOYSA-N 331.441 2.835 0 50 EFAA COCc1ccccc1C(=O)NCc1cccc(N2CCOCC2)c1 293753459 KOSQCQMVYVHNGZ-UHFFFAOYSA-N 340.423 2.600 0 50 EFAA CN1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2ccccc2)C1=O 135682195 XFNDAQQYMBQVPO-HRCADAONSA-N 342.782 2.816 0 50 EFAA Cc1cccc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 20614140 TTYUYXSEUKBLDM-UHFFFAOYSA-N 336.482 2.563 0 50 EFAA CNc1nc(C)c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1 19835504 QQLVRMMWMGUMKJ-UHFFFAOYSA-N 342.428 2.559 0 50 EFAA CC1(C)CN(C(=O)c2cnc3ccccc3n2)C[C@@H](C(F)(F)F)O1 292253023 DXZFYTFQGFMLCK-ZDUSSCGKSA-N 339.317 2.812 0 50 EFAA CC(C)Oc1cc(CNC(=O)N2CCn3cccc3[C@@H]2C)ccn1 179130665 RMXFLZNAYQXFHG-AWEZNQCLSA-N 328.416 2.957 0 50 EFAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1 82161126 MWCBBUAELBUYMT-KRWDZBQOSA-N 348.454 2.996 0 50 EFAA CC(C)(N)CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 236609803 GAIXGZBEHMUUSW-UHFFFAOYSA-N 329.878 2.921 0 50 EFAA COc1ccccc1-c1cccc(NC(=O)N2CCOC[C@@H](O)C2)c1 97759228 FERQQHSJSBEKEX-INIZCTEOSA-N 342.395 2.587 0 50 EFAA COc1ccc(C2(CNC(=O)N3CC[C@@H](N(C)C)C3)CCCC2)cc1 426658547 TZTSSVOERHWHCQ-QGZVFWFLSA-N 345.487 2.853 0 50 EFAA CC(C)Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cn1 295103551 XPMOMSXVRGCRFZ-QGZVFWFLSA-N 340.427 2.782 0 50 EFAA Cc1nc2cc(CNC(=O)[C@@H]3CCCN(C(C)C)C3)ccc2n1C 95523950 OGWIHIISOWGMIB-MRXNPFEDSA-N 328.460 2.618 0 50 EFAA O=C(NC[C@@H]1CC=CCC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 181524698 MMHMQCFGAGPTGJ-HIFRSBDPSA-N 329.448 2.927 0 50 EFAA COCCC[C@@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1 91562960 KFNMHZATQRCJAE-SFHVURJKSA-N 325.424 2.835 0 50 EFAA COCC[C@@]1(CO)CCCN(CC2=Cc3cccc(OC)c3OC2)C1 91663686 LWLSAPKFTHMTFY-FQEVSTJZSA-N 347.455 2.582 0 50 EFAA Cc1c(NC(=O)N2CCC[C@](C)(F)C2)c(=O)n(-c2ccccc2)n1C 296204268 OPTBLALRQLHDFP-SFHVURJKSA-N 346.406 2.840 0 50 EFAA O=C(OCc1ccccc1)n1cc(I)cn1 98213242 RMOBSWZFJWFDMF-UHFFFAOYSA-N 328.109 2.673 0 50 EFAA CC1(C)C[C@H](O)CCN(C(=O)NCc2ccnc(C(F)(F)F)c2)C1 298144490 OVZCIVAGYVQHIE-GFCCVEGCSA-N 345.365 2.793 0 50 EFAA C[C@H](c1ccc(-n2cccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 245253722 LRMDOIBPYSESAD-WYGQYTNYSA-N 336.391 2.701 0 50 EFAA Cc1n[nH]c([C@@H]2CCCN2CCC(=O)Nc2cc(F)ccc2F)n1 244773705 PEYSPUNIDRYESZ-AWEZNQCLSA-N 335.358 2.557 0 50 EFAA CN1CCCN(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)CC1 244716279 LMDLZGZCYAQIKR-SFHVURJKSA-N 333.451 2.517 0 50 EFAA Cc1nc(C)c2c(n1)O[C@@H](CN(C)Cc1cc(C(C)(C)C)n[nH]1)C2 252482361 DDTLQVMRRUTVIU-CQSZACIVSA-N 329.448 2.550 0 50 EFAA CC(C)c1nc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cs1 252488228 INXNIEFJAFVPGJ-ZDUSSCGKSA-N 345.472 2.703 0 50 EFAA C[C@@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)C1CCCC1 184667810 FGAOQKWOZKSSGX-LLVKDONJSA-N 337.374 2.932 0 50 EFAA O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCc2ccccc21 263617003 LPEVVYLNHBRXFF-GOSISDBHSA-N 346.390 2.753 0 50 EFAA Cc1ccsc1CN(Cc1ccccn1)C(=O)C1CCNCC1 534577201 HRCTVZRRYVNNPT-UHFFFAOYSA-N 329.469 2.980 0 50 EFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@H](C)c1nncn1C1CCCC1 299760000 SRRWFSTZPAXELW-LLVKDONJSA-N 328.420 2.793 0 50 EFAA Cc1nnc(SCC(=O)N[C@@H](C)c2nc(C)sc2C)s1 299786301 QJNVDBMFCHWBKI-LURJTMIESA-N 328.488 2.889 0 50 EFAA COCCOCC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 299762042 VAFVRKZUNYGOGI-INIZCTEOSA-N 333.428 2.992 0 50 EFAA COc1cc(C(=O)NCc2cnc(SC)n2C)nc2ccccc12 824614982 HUZDKFDTVIGIHC-UHFFFAOYSA-N 342.424 2.629 0 50 EFAA CC1(CNC(=O)N2CCC([C@@H](F)C(N)=O)CC2)CCCCCC1 685943301 KOPPYPUGMAWOLX-CQSZACIVSA-N 327.444 2.592 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](CN=c3cncc[nH]3)CC[C@@H]2C1 1875339272 ZBLJAKQCSXUJSF-ARFHVFGLSA-N 346.475 2.984 0 50 EFAA O=C(NC1([C@H]2CCCN2C(=O)[C@H]2CC23CC3)CC1)c1sccc1F 1875406555 HJCPYFXFDCIFJA-DGCLKSJQSA-N 348.443 2.941 0 50 EFAA O=C(O)c1ccc(C(=O)N[C@H]2CCOCCC2(F)F)c(Cl)c1 1875286074 FFSFDNYLJZRWQQ-NSHDSACASA-N 333.718 2.582 0 50 EFAA CN(c1cccc(CO)c1)S(=O)(=O)c1ccc(C(C)(C)C)nc1 1875280919 GVBKLOJAPHPYEX-UHFFFAOYSA-N 334.441 2.697 0 50 EFAA Cc1c(-c2nc(C[C@H]3CCC(=O)N3)no2)[nH]c2cc(F)cc(F)c12 1875291381 XIUPEICGMQCXSJ-SECBINFHSA-N 332.310 2.626 0 50 EFAA CC(C)Oc1cc(Cl)ccc1CNC(=O)c1nc[nH]c2ncnc1-2 1875282296 WKAYMDZQBPYHPU-UHFFFAOYSA-N 345.790 2.675 0 50 EFAA C[C@@H](NC(=O)C1CC2(CC(C(=O)O)C2)C1)c1nc2ccccc2[nH]1 1875277894 MENYRPZCHRGTFG-GGXQHAPSSA-N 327.384 2.631 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888077751 SFTCMQTXLQDTLP-ZIAGYGMSSA-N 349.818 2.603 0 50 EFAA Brc1cnc([C@@H]2CCCN2c2ncnc3[nH]ccc23)nc1 895716975 LDMLVCZUPOGLNS-NSHDSACASA-N 345.204 2.852 0 50 EFAA Cc1cc(CN2CCCC[C@@H]2CS(C)(=O)=O)c2c(n1)CCCC2 894730883 JOGMCMZGHGOXHA-MRXNPFEDSA-N 336.501 2.668 0 50 EFAA Cc1cc(CN2CCN(c3ccc4cc(Cl)cnc4n3)CC2)on1 891618655 SOYSKKWVGUEESZ-UHFFFAOYSA-N 343.818 2.902 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NCc2nc(C)[nH]c2Br)C1 1775985323 PVMYCUJAJBBGKM-FDMGOTLNSA-N 348.310 2.650 0 50 EFAA CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2ccn(Cc3ccncc3)n2)C1(C)C 272028333 MNCYFKHFXZGDCK-DAXOMENPSA-N 343.431 2.507 0 50 EFAA CC[C@@H](NC(=O)NCc1ccc(Cl)cc1OC)c1noc(C)n1 1365107343 JMKLGPROBKEPIM-GFCCVEGCSA-N 338.795 2.991 0 50 EFAA C=CC(=O)N(CC)CC(=O)Nc1cccc(N2CCC(C)CC2)c1 900791263 YAKUTQGVRANTBH-UHFFFAOYSA-N 329.444 2.896 0 50 EFAA COc1ccccc1O[C@H](C)CNC(=O)CC[C@@H]1CCCCN1C 170614649 LQLLAQIJTKPIGD-CVEARBPZSA-N 334.460 2.843 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 282024649 ALTYMUDKDOUQQK-SFHVURJKSA-N 347.846 2.740 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCO1 172429181 SDJIUMKEEVHSLT-HNNXBMFYSA-N 341.411 2.956 0 50 EFAA CCc1nnc(CN2CCN(c3cccc(Cl)c3)C[C@@H]2C)n1C 408518805 BNKZKNQXMRXNPJ-ZDUSSCGKSA-N 333.867 2.742 0 50 EFAA Cc1noc(C(C)(C)NC(=O)Nc2cc(-n3cccn3)ccc2C)n1 225482651 QVRCMCCZJRJMHX-UHFFFAOYSA-N 340.387 2.929 0 50 EFAA Oc1nc2ccc(CNc3ccc(CN4CCOCC4)cc3)cc2[nH]1 641737796 DXZHLLAFYUJRSJ-UHFFFAOYSA-N 338.411 2.713 0 50 EFAA O=C([C@H]1CCCc2c(O)cccc21)N1CCO[C@@H](c2nccs2)C1 190361130 XBFYWJFTSHXVNT-GOEBONIOSA-N 344.436 2.869 0 50 EFAA Cc1cc(NC(=O)N[C@@H](C)C[S@@](C)=O)cc(C)c1Br 192419032 GSFHZFYPPKSGBO-APBUJDDRSA-N 347.278 2.954 0 50 EFAA CN(C)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)cc1F 653326539 FKXGTFQZPWDZSF-HOCLYGCPSA-N 342.370 2.935 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)CCc2nc3ccc(F)cc3[nH]2)s1 1529168854 OHXXTAWOOWHMIP-QMMMGPOBSA-N 349.391 2.832 0 50 EFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(-n3ccnc3)cc2)s1 1529138491 DDNMJCLHQXOMNS-SNVBAGLBSA-N 329.385 2.684 0 50 EFAA CC(C)c1ncc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cn1 1529186535 HFWVFVLKQXUSRF-QZTJIDSGSA-N 327.428 2.534 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 1704311247 AYWYRKWTNUOJQR-UHFFFAOYSA-N 334.851 2.504 0 50 EFAA COC(=O)C(F)(F)[C@@](F)(Br)C(F)(F)Br 8698343 WJHDKPUBABRPCK-BYPYZUCNSA-N 349.875 2.843 0 50 EFAA in-vitro COC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 1147397 NJLBKBIISZCVIH-NTUHNPAUSA-N 330.365 2.686 0 50 EFAA COc1ccc(NC(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1Cl 1772702572 HGPURSWPETVZKA-PWSUYJOCSA-N 337.807 2.576 0 50 EFAA CC(C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)OCO2 5902453 OQNLGDZCDKFPFW-CQSZACIVSA-N 347.396 2.673 0 50 EFAA COC(=O)c1cc(CNC(C)=O)cc(NC(=O)c2ccccc2F)c1 11839071 BSEFWFTVPVEAHS-UHFFFAOYSA-N 344.342 2.501 0 50 EFAA O=C1CCN(C2C3CC4CC(C3)CC2C4)CCN1Cc1ccncc1 12151711 XSEUJRXTDSEYCO-UHFFFAOYSA-N 339.483 2.941 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1cccc(C)c1)CC2=O 13637190 KIOIHDGMELRSAK-ZDUSSCGKSA-N 325.364 2.773 0 50 EFAA COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 13678995 NYYBDNYKROAVLS-UHFFFAOYSA-N 340.423 2.861 0 50 EFAA COc1cccc(C[C@H]2CN(C(=O)CCC(F)(F)F)CCO2)c1 14977172 ZPUBBTXIWXMVQS-AWEZNQCLSA-N 331.334 2.808 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 16276118 VKMXCIDWPMDYGM-MBNYWOFBSA-N 327.446 2.807 0 50 EFAA CC(=O)c1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1 16661365 YVWDORZKIVJKKA-UHFFFAOYSA-N 349.394 2.921 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)CCCc2cc(C)sc2C)n1 328611306 LDYIWYGYMCSRNZ-LSDHHAIUSA-N 349.456 2.714 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)nn1-c1cccc(Cl)c1 422006716 BFLHJYRQGGUJQZ-NHYWBVRUSA-N 333.819 2.820 0 50 EFAA COc1ccc(OC)c(COC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 12420188 FACHZQKKZVGCFY-HLLBOEOZSA-N 337.460 2.559 0 50 EFAA COc1ccc(OC)c(COC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 12420186 FACHZQKKZVGCFY-UXLLHSPISA-N 337.460 2.559 0 50 EFAA Clc1ccccc1CN(Cc1nnc2n1CCOC2)CC1CC1 253417502 WXVBBYFIDCDCAP-UHFFFAOYSA-N 332.835 2.874 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1 366630034 FIQUXIZHYXWAED-RISCZKNCSA-N 348.424 2.906 0 50 EFAA O=C(c1ncccc1Oc1ccccc1)N1CC[C@@H](n2cncn2)C1 368521351 DYESISZWWGHRKL-CQSZACIVSA-N 335.367 2.553 0 50 EFAA CC(C)c1ncc(NS(=O)(=O)c2cn(C)nc2C2CCCC2)cn1 901922584 VTROLPQNNDVDNQ-UHFFFAOYSA-N 349.460 2.792 0 50 EFAA CC(C)[C@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)c1nncn1C 811523429 XGFQEKOAZSLFKY-HNNXBMFYSA-N 328.416 2.612 0 50 EFAA COc1cnc(NC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)s1 931286066 VYPIGZHRHWPVMJ-UHFFFAOYSA-N 347.396 2.734 0 50 EFAA Cc1nc(C(=O)NC[C@@H](C)CN2CCCC2)c(Br)s1 341927088 KYAWVZQCWUCZQG-SECBINFHSA-N 346.294 2.676 0 50 EFAA O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)C(F)(F)F 52748 BOCDRQDDEPQHIV-SNVBAGLBSA-N 326.196 2.702 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1 311510 CLLNJKYTWBVSTI-UHFFFAOYSA-N 344.392 2.829 0 50 EFAA N=c1[nH]nc(CCCC(=O)NCc2cccc3ccccc23)s1 2325824288 XLRFAEWKFDFFBY-UHFFFAOYSA-N 326.425 2.743 0 50 EFAA Cc1ccc2c(NCCn3ccn4nccc4c3=O)ccnc2c1C 2325858706 XUHODJHONOUPMZ-UHFFFAOYSA-N 333.395 2.773 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21 428691 RJACZRMSMMACLC-UHFFFAOYSA-N 330.409 2.705 0 50 EFAA CCN1C=C(C(=O)OC)C(c2cc(C)ccc2C)C(C(=O)OC)=C1 461998 NHWZJYAZLBHSSJ-UHFFFAOYSA-N 329.396 2.836 0 50 EFAA COc1cc(S(=O)(=O)Nc2ccccc2O)c(OC)cc1Cl 610311 MIHPQWQEYVPTOO-UHFFFAOYSA-N 343.788 2.864 0 50 EFAA CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 1057010 PQMQLDTZMYZUHA-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA O=C(Cc1cccc(F)c1F)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356170256 DJCQXNCGPXERTO-LJQANCHMSA-N 348.393 2.653 0 50 EFAA CCOc1ncc(Br)cc1I 4352671 KLZXHRLOSHLEDS-UHFFFAOYSA-N 327.947 2.847 0 50 EFAA in-vitro COc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1OC 4837756 FRKTWLABDIIPKH-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccccc1 4841689 PXHOFBKHNSMPQM-UHFFFAOYSA-N 340.408 2.919 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-n1cnnn1 7654521 BNYRRONTPLCZHM-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA CC(C)n1cccc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 134953599 DJUCJHUMHLPKQN-UHFFFAOYSA-N 346.475 2.869 0 50 EFAA COc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@H]2CCCNC2)cc1OC 248039079 SFIIHSIOOLYUDQ-YCPHGPKFSA-N 334.460 2.907 0 50 EFAA Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1C(N)=O 119341864 UKIVSFQKDKFMDV-UHFFFAOYSA-N 341.802 2.940 0 50 EFAA CNC(=O)[C@H]1CCCN(C(=O)Nc2sc(C)nc2CC(C)C)C1 135433126 ZDOJVAKTKWOZIZ-LBPRGKRZSA-N 338.477 2.640 0 50 EFAA C[C@H]1C[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2Cl)C[C@@H](C)O1 248785203 IHBDSLYZBMDIHU-IPJQOSJUSA-N 340.851 2.803 0 50 EFAA CCOc1ncccc1NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 135530111 AHGKWEUISWIJRX-NSHDSACASA-N 346.353 2.581 0 50 EFAA C[C@@H]1CCCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 20514583 HVPCHFGWXWDQQT-MRXNPFEDSA-N 333.451 2.596 0 50 EFAA C/C(=C\c1ccccc1)CN1CCC[C@@H](CCNS(C)(=O)=O)C1 67604642 ZBPXSLGBAJANSQ-QCUIPMNBSA-N 336.501 2.741 0 50 EFAA CC(C)N1CCC(C(=O)N(C)Cc2ccccc2-n2cccn2)CC1 65435477 IMOKOWHDZWOGJB-UHFFFAOYSA-N 340.471 2.951 0 50 EFAA O=C(NC[C@H]1CCN(Cc2cccc(-n3cccn3)c2)C1)C1CCC1 67867370 ABNHIEVDKGGSHG-QGZVFWFLSA-N 338.455 2.611 0 50 EFAA Oc1cc(-c2cccnc2)cc2c1OCCN(CCc1cn[nH]c1)C2 67880877 ASYQVFUEFQGWAL-UHFFFAOYSA-N 336.395 2.614 0 50 EFAA O[C@H](CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1cccc(F)c1 229296234 DNQSDAKGOGDESO-GDBMZVCRSA-N 331.391 2.999 0 50 EFAA COC(=O)c1ccc2nc(NC(=O)CCn3cccc3)sc2c1 409414060 NAEWGRPNQJOJKR-UHFFFAOYSA-N 329.381 2.913 0 50 EFAA COc1ccnc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 116165896 XAGGMWRWJOPFCH-UHFFFAOYSA-N 325.412 2.616 0 50 EFAA O=C(CCC(=O)NC1CCCC1)Nc1ccc2nc(S)[nH]c2c1 121716983 TXXAGLUIJBIKSQ-UHFFFAOYSA-N 332.429 2.629 0 50 EFAA CN1CCCN(C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O 252552546 UVYZCQUBJZBMAM-UHFFFAOYSA-N 330.413 2.506 0 50 EFAA C=CC(=O)N1CCC(C(=O)c2ccc3c(c2)N=C(O)[C@H](C)O3)CC1 328599659 SSHYKLIGDSKWDM-NSHDSACASA-N 328.368 2.663 0 50 EFAA O=C(O)Cn1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)n1 122780238 RBHIFOQLRJKQPL-SNAWJCMRSA-N 340.166 2.926 0 50 EFAA 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0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(c2cc(N3CCc4ccccc43)ncn2)C1 263250712 SUGQWXUWUKWUCV-UKRRQHHQSA-N 338.411 2.718 0 50 EFAA CCOCCOCc1cccc(Nc2ncnc3c2CN(C)CC3)c1 242048108 VSUSAXWEKLLSGW-UHFFFAOYSA-N 342.443 2.761 0 50 EFAA O=C(CCCn1ccnc1)N1CCCN(c2ccc(F)cc2)CC1 215665123 HKPLNUHWQTVSKW-UHFFFAOYSA-N 330.407 2.541 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1cccc(CCC(C)(C)O)c1 72463466 NLNHYYNVANBGRD-UHFFFAOYSA-N 341.455 2.874 0 50 EFAA C[C@@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1cccs1 130003772 QOLVVMSLMYGQES-ZDUSSCGKSA-N 335.473 2.506 0 50 EFAA COc1cccc(OCC(=O)NC[C@H]2CCN(C3CCCCC3)C2)c1 223821639 JLHIFIQZHHSCSN-MRXNPFEDSA-N 346.471 2.845 0 50 EFAA CCn1c(CCN[C@H]2CCOC3(CCOCC3)C2)nc2ccccc21 82109289 RTAZLUMOAAZBSI-INIZCTEOSA-N 343.471 2.917 0 50 EFAA Cn1cnc(-c2cccc(NC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)c2)n1 162290949 AELGTFKEDQCBKG-JKSUJKDBSA-N 341.415 2.561 0 50 EFAA NC(=O)C1(NC(=O)c2cccc(CN3CCCCCC3)c2)CCCC1 426545424 PVLDZGNFMDTWMM-UHFFFAOYSA-N 343.471 2.591 0 50 EFAA CCn1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c(C)n1 426489699 TUQATVWQUBNQIR-UHFFFAOYSA-N 331.395 2.705 0 50 EFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1cnc(-c2ccncc2)nc1 426550341 BKWCJNLMSLBXQE-INIZCTEOSA-N 338.411 2.760 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cccc3nccnc23)n1 97655565 VASMKEWDFQEASE-NSHDSACASA-N 325.372 2.702 0 50 EFAA CCCc1ccc([C@@H](C)NC(=O)Cn2cccc(OC)c2=O)cc1 95520777 LJTMOFUTXATXKP-CQSZACIVSA-N 328.412 2.687 0 50 EFAA CC(Cl)(Cl)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 179745242 QMONDDDAMANYJB-UHFFFAOYSA-N 329.227 2.601 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)CCc1ccnn1C)CC(C)(C)O2 426380181 WRWMTKRLXZXPAN-MRXNPFEDSA-N 343.427 2.780 0 50 EFAA Cc1cc(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)ccn1 95503949 GURJNUKISSDWTA-QGZVFWFLSA-N 327.476 2.922 0 50 EFAA O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)c1ccc(F)cc1 238211856 GELHEUBCGMEVKR-MRXNPFEDSA-N 344.317 2.872 0 50 EFAA O[C@H]1CCCOC12CCN(Cc1c[nH]c(CC3CCCC3)n1)CC2 92078345 KNKIWVHLJMJAGM-KRWDZBQOSA-N 333.476 2.648 0 50 EFAA CCCn1nc([C@H]2CCOC2)nc1C1CCN(C2CCOCC2)CC1 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C[C@H](CCc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)no1 874434962 IJGFMEMFUCFELD-SNVBAGLBSA-N 342.321 2.909 0 50 EFAA Cc1nc(-c2ccc(NC(=O)c3cccc(-n4cnnc4)c3)cc2)n[nH]1 952862300 OIXMTJOLXOBAOB-UHFFFAOYSA-N 345.366 2.613 0 50 EFAA CNC(=O)c1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 888090747 QYTNZOPTOXORED-UHFFFAOYSA-N 338.388 2.873 0 50 EFAA OCC1CCN(c2ccc(NCc3cn4ccnc4s3)nc2)CC1 893141213 MYRQDWCACRBBSV-UHFFFAOYSA-N 343.456 2.612 0 50 EFAA CCc1ncnc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)c1F 888079000 UQORLCYAJYHJIM-GOEBONIOSA-N 331.395 2.727 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)N[C@@H]1CCOC2(CCCC2)C1 893743818 JNVLUCHQYXCSEG-OAHLLOKOSA-N 342.443 2.934 0 50 EFAA CCc1c[nH]c2ncnc(N3CCC[C@H](n4nc(C)nc4C)C3)c12 892387877 WQZKYCXNJGNYAE-AWEZNQCLSA-N 325.420 2.570 0 50 EFAA Cn1ncc2c(N[C@@H](CO)c3ccccc3C(F)(F)F)ncnc21 896649174 AZIMBNPEURGPLO-LBPRGKRZSA-N 337.305 2.528 0 50 EFAA CC(C)[C@@]1(C(=O)O)C[C@H]1C(=O)NCCc1ccc2ncccc2c1 899835940 QRNICRIBSTUBLS-KXBFYZLASA-N 326.396 2.640 0 50 EFAA Oc1ncc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c2ccccc12 1364335684 XZFQOVYJALZDLG-ZIAGYGMSSA-N 326.318 2.828 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@]12CCCO2 273496891 AAFSJQNRCQEKEN-XJKCOSOUSA-N 329.318 2.560 0 50 EFAA CCc1cc2nncn2c(S[C@@H]2CCc3ccccc3NC2=O)n1 279839479 CUAGYJBERGNYTH-CQSZACIVSA-N 339.424 2.732 0 50 EFAA CS(=O)(=O)C1(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 280108571 TVVDLRCTOUBCST-UHFFFAOYSA-N 339.432 2.545 0 50 EFAA Cc1cc(N2CCN(C(=O)Nc3ccc4oc(C)nc4c3)CC2)n[nH]1 188466325 KQNXYKFKPVKABS-UHFFFAOYSA-N 340.387 2.522 0 50 EFAA CC1(C)C[C@@H](NC(=O)[C@H](CN2CCCC2)c2ccccc2)CCO1 408518115 UWQGKQFKRYAHHO-ZWKOTPCHSA-N 330.472 2.940 0 50 EFAA CN(Cc1nc(-c2cccnc2)no1)[C@@H]1CCc2ccccc2NC1=O 225399442 KUCAKWXJMOYWIK-MRXNPFEDSA-N 349.394 2.517 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2C)c1 225715220 IJHVOMAVHKBOJS-WBVHZDCISA-N 347.436 2.500 0 50 EFAA CC(C)Cc1ccc([C@@H](C)NC(=O)C2(C(=O)O)CCOCC2)cc1 649240363 METVFISVOXUKFS-CQSZACIVSA-N 333.428 2.944 0 50 EFAA 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Cc1cc2c(cc1-c1nccn1[C@@H]1COC3(CCNCC3)C1)OCO2 1857668420 XMCKNHPAXYUHOD-AWEZNQCLSA-N 341.411 2.671 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857695910 DQACYGOPWJACRO-IYBDPMFKSA-N 339.439 2.555 0 50 EFAA CN1CCO[C@@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 230205028 QLBZIXVYECQTOX-CABCVRRESA-N 342.361 2.603 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc(Cl)sc2Cl)n1 328612103 NYIVUNSENRWPDO-POYBYMJQSA-N 348.211 2.694 0 50 EFAA CCn1c([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)nc2ccccc21 237217604 OGQMUUDLOSIONW-SNVBAGLBSA-N 327.340 2.838 0 50 EFAA C[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccc2c(c1)CCC(=O)N2 237542559 AHLCVCZUZZNYQS-LLVKDONJSA-N 338.363 2.761 0 50 EFAA CCCOc1ccc(CCC(=O)N[C@@H]2CNCCC2(F)F)cc1 449667215 QVXXDSIXTSZDFL-OAHLLOKOSA-N 326.387 2.521 0 50 EFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccccc3)C2)nn1 12155380 UTOAYOMSIIHPIQ-KRWDZBQOSA-N 341.459 2.597 0 50 EFAA COCCn1ccc(NC(=O)NC2(C(C)(C)c3ccccc3)CC2)n1 454680806 IJKOEEIWIPBIOV-UHFFFAOYSA-N 342.443 3.161 0 50 EFAA 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NC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1 226680 DIVZBAGJCIOHKB-UHFFFAOYSA-N 345.815 2.707 0 50 EFAA Cc1cccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)c1O 352137 BKXSQRZARAOITK-NHYWBVRUSA-N 342.317 2.954 0 50 EFAA CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC)cc2)C1=O 1059785 WSGNIIVDRLJKGX-OAHLLOKOSA-N 340.379 2.838 0 50 EFAA COc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 2818088 REIJOXUVPZYRKQ-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA CCCN1CCN(C(=S)Nc2ccc(C(=O)OCC)cc2)CC1 2852732 DYWFTTDISXRUHG-UHFFFAOYSA-N 335.473 2.588 0 50 EFAA COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)n1cccn1 4851753 NWUJMJBIAWNDDT-GFCCVEGCSA-N 337.173 2.633 0 50 EFAA COc1ccc(-c2ccc(CNCCOCCO)o2)cc1Cl 10436284 MSACUVGUEGMTOU-UHFFFAOYSA-N 325.792 2.707 0 50 EFAA CCCCN(Cc1ccccc1C)C(=O)C1CCS(=O)(=O)CC1 55098855 IAMMDNZJRNFFGE-UHFFFAOYSA-N 337.485 2.949 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)CCCOc2cccc3ccccc23)C1 345509994 MIUDIPMIIMGPKS-DLBZAZTESA-N 343.423 2.607 0 50 EFAA O=C(c1cnns1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 248186782 XNAWSTBHUATPOL-HZPDHXFCSA-N 342.468 2.665 0 50 EFAA CC(=O)N1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)CC1 23338792 CHRZVDSIJQUZOL-UHFFFAOYSA-N 335.354 2.592 0 50 EFAA c1ccc(-c2noc(CNC3CCN(Cc4ccccn4)CC3)n2)cc1 65396638 ZBEVPALDFITOGL-UHFFFAOYSA-N 349.438 2.886 0 50 EFAA CCC[C@]1(C2CCNCC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O 67867406 WWOBVIPRXHRHBH-LJQANCHMSA-N 347.434 2.724 0 50 EFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCc2cn[nH]c2)c1C 1506418024 NORVYBILBYYYGB-UHFFFAOYSA-N 335.473 2.845 0 50 EFAA COCc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)ccc1F 237241192 BNVXCPYXSAMMLF-KRWDZBQOSA-N 343.354 2.624 0 50 EFAA CN(C)c1cc(NCc2cccnc2-n2cnc3ccccc32)ncn1 67691032 FPGYKJJBJMLOLR-UHFFFAOYSA-N 345.410 2.889 0 50 EFAA CC[C@H]1Oc2cc([C@H](C)NCc3ncnn3C(C)C)ccc2NC1=O 253430609 FLELBLJFYXUVBT-SWLSCSKDSA-N 343.431 2.819 0 50 EFAA O=C1[C@H]2CCCN2C(=O)N1C1CCN(Cc2ccc(Cl)cc2)CC1 253419948 APFQYFLJFGNVPF-MRXNPFEDSA-N 347.846 2.731 0 50 EFAA CC(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)CC1 67712837 LVMQUYTXTJZIFZ-KRWDZBQOSA-N 344.455 2.972 0 50 EFAA Cc1cc(NC[C@@]2(N(C)C)CCSC2)nc(-c2cccnc2)n1 65460456 KTLOVWZJONPTMC-KRWDZBQOSA-N 329.473 2.696 0 50 EFAA COc1ccc2oc(=O)c(C(=O)Nc3ccc4cn[nH]c4c3)cc2c1 1427094 MUXRWKSRISADKD-UHFFFAOYSA-N 335.319 2.930 0 50 EFAA O=C1OCCCN1CCn1ccnc1-c1ccc(-c2cc[nH]n2)s1 72152103 OPYUPAONYRGFFD-UHFFFAOYSA-N 343.412 2.844 0 50 EFAA CCc1[nH]ccc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 367002990 LUXIJKUQMLPBME-OAHLLOKOSA-N 327.432 2.872 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1 237263463 ZBWYBEBYETXCIY-AWEZNQCLSA-N 346.862 2.906 0 50 EFAA CCn1nc(C)c(C(=O)NCc2ccc(-n3ccnc3C)cc2)c1C 71750185 FSASTOZUBMCALS-UHFFFAOYSA-N 337.427 2.944 0 50 EFAA CCCn1c(C)c(C(=O)N(C)Cc2nnc[nH]2)c2cc(OC)ccc21 174159215 PLTRMBLKQZIVCM-UHFFFAOYSA-N 341.415 2.759 0 50 EFAA CN(C)CC1CCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CC1 332335125 MAKRVYVRWMUYAU-UHFFFAOYSA-N 342.487 2.932 0 50 EFAA CCC1(CNC(=O)NC[C@@H]2COC3(CCOCC3)O2)CCCCC1 370071004 FEFZZANINAOFMT-OAHLLOKOSA-N 340.464 2.568 0 50 EFAA CN(c1ccccc1)c1ccc(C(=O)NC2(C(=O)O)CCCC2)cn1 262299910 ZJQMSLOKHHQAOS-UHFFFAOYSA-N 339.395 2.977 0 50 EFAA Cc1nnc(CN[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)o1 374815931 QJOBAGUAFPBSDR-DOTOQJQBSA-N 336.386 2.970 0 50 EFAA COc1ccc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)nn1 374953723 MPZRWOLAHPYJQD-MRXNPFEDSA-N 335.766 2.850 0 50 EFAA CSc1ccc(CN(C(=O)[C@@H]2NCCc3[nH]cnc32)C2CC2)cc1 72479697 SVTWRRYMETVJQQ-QGZVFWFLSA-N 342.468 2.510 0 50 EFAA Cc1ccc(CN2CC[C@@H](NC(=O)c3c(C)coc3C)C2=O)cc1 376730379 XRNOJFDTTRODPT-MRXNPFEDSA-N 326.396 2.736 0 50 EFAA Oc1ccc(Br)c(CN2CCOC[C@@H]2[C@H]2CCCO2)c1 377710053 ZTFMQSVDIQZUGI-HUUCEWRRSA-N 342.233 2.535 0 50 EFAA COC(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 71721400 YYTSQVNIFPXNDP-UHFFFAOYSA-N 327.384 2.542 0 50 EFAA NC(=O)COc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1 456574680 UGXRHIMDPGRFDV-QGZVFWFLSA-N 340.379 2.511 0 50 EFAA CC(C)c1noc(-c2ccc(NCCCN3CCC[C@@H](O)C3)nc2)n1 72436506 AIFGGMHRZJHDBQ-OAHLLOKOSA-N 345.447 2.514 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2ccncc2)CC1 192293989 SCOQLWBKNXDDFO-UHFFFAOYSA-N 326.444 2.771 0 50 EFAA O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1 48551259 CQERVFFAOOUFEQ-UHFFFAOYSA-N 338.249 2.545 0 50 EFAA in-vitro CCCOc1ccccc1C(=O)N1CCN(c2cccnc2)CC1 220333602 GJUTVOUPSXGDSI-UHFFFAOYSA-N 325.412 2.833 0 50 EFAA CCCCn1c(S)nc(=O)c2c(C(=O)O)c(Cl)c(C)nc21 20615737 RIAIBGOEXRVIJB-UHFFFAOYSA-N 327.793 2.540 0 50 EFAA COc1c(C)cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1C 179669810 JWGDMENEHOLSKL-UHFFFAOYSA-N 343.427 2.566 0 50 EFAA CCOc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)o1 223516113 GJZSNXNFHITRFR-UHFFFAOYSA-N 328.368 2.735 0 50 EFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cnc(C2CC2)nc1C 97527359 PFQLYGBJYGDQSZ-QGZVFWFLSA-N 341.411 2.564 0 50 EFAA Cc1ccc(CC2(NC(=O)Cc3ccc(OCCN)cc3)CC2)cc1 426361145 JCMHDZPIYRMCNM-UHFFFAOYSA-N 338.451 2.767 0 50 EFAA Cc1cc(C)n(CCNC(=O)Cn2c(C3CC3)nc3ccccc32)n1 97370477 MSEJYLJDTFPJSY-UHFFFAOYSA-N 337.427 2.543 0 50 EFAA CC(C)(C)OC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 147210981 SXQFCTNCKGGCEW-UHFFFAOYSA-N 334.460 2.928 0 50 EFAA CCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(=O)[nH]1 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343.427 2.804 0 50 EFAA COc1ccc(C2(C(=O)NCc3nonc3C)CCCC2)cc1OC 299794053 HZMISQFXABGQOX-UHFFFAOYSA-N 345.399 2.523 0 50 EFAA CCN1CCC[C@H]1CN1C(=O)CC[C@H]1CCNCc1ccccc1F 823110169 BYSGGPWSKAACJH-ROUUACIJSA-N 347.478 2.781 0 50 EFAA CS[C@@H]1CCC[C@H](NC(=O)C2(Oc3ccccc3)CCNCC2)C1 1875391417 OCUUTQHTSNFLHO-DOTOQJQBSA-N 348.512 2.978 0 50 EFAA COC1(OC)CC2(CN(C(=O)N[C@H](C)C(F)(F)F)[C@@H]2C(C)C)C1 877871058 JGDKYUATEIZCDZ-GHMZBOCLSA-N 338.370 2.756 0 50 EFAA CCOC(=O)c1cnc(NCc2nc3cccc(F)c3[nH]2)nc1C 952993270 GDXMTUWCCJCXJD-UHFFFAOYSA-N 329.335 2.589 0 50 EFAA NC(=O)c1cc(C(=O)N2CCC[C@H](c3c[nH]c4ccccc34)C2)c[nH]1 1875299063 XRWVVKZXHUEFDS-LBPRGKRZSA-N 336.395 2.615 0 50 EFAA C[C@H]1C[C@@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)CCO1 271199987 BEGMDMDYVNEGCE-LPHOPBHVSA-N 345.487 2.560 0 50 EFAA O=C(CCC1=NNC(=O)CC1)NCc1ccc(Cl)c(Cl)c1 952989368 MDLJKPGDYZEXST-UHFFFAOYSA-N 328.199 2.656 0 50 EFAA CC(=O)NCc1cc(O[C@@H]2CCN(C[C@@H]3CC=CCC3)C2)ccn1 886063045 NJEROLORNDURBH-VQIMIIECSA-N 329.444 2.527 0 50 EFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CC(c2cc(CO)on2)C1 886085730 MPAHZANKCVRPLY-CYBMUJFWSA-N 344.411 2.685 0 50 EFAA CCc1nsc(N2CCC[C@@H]2c2ncc(Br)cn2)n1 895710607 MXMSZQGYSSQQNB-SECBINFHSA-N 340.250 2.995 0 50 EFAA COCCCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O 1775993531 FAUODBSGPSYILR-ZDUSSCGKSA-N 348.262 2.562 0 50 EFAA C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=C[C@]2(CCOC2)C1 1775989534 ORKRTLRXEPTKRM-AUUYWEPGSA-N 330.403 2.600 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1c(-c2ccccc2)ccnc1C 1565505982 BLAGKCWFSOIXGT-IRXDYDNUSA-N 326.396 2.591 0 50 EFAA O[C@@H](COCc1ccc(Cl)cc1)Cn1cnc(-c2ccccn2)n1 170591107 KRNIGGXKWDELMZ-OAHLLOKOSA-N 344.802 2.571 0 50 EFAA Cc1c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)cnn1C 171998963 MXIZUJHMDUJJRT-CYBMUJFWSA-N 345.418 2.793 0 50 EFAA CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1csc(Cl)c1 189544089 FAKYIRVJSXOGNR-UHFFFAOYSA-N 348.811 2.770 0 50 EFAA CC(C)c1ccc(-c2noc(CN(C)C3(CO)CCOCC3)n2)cc1 191025565 LSCJKSRTDXWDBE-UHFFFAOYSA-N 345.443 2.833 0 50 EFAA C[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)CCS1(=O)=O 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2.590 0 50 EFAA CCCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C 2274246 QZFLWUGSGBEFII-UHFFFAOYSA-N 342.159 2.889 0 50 EFAA CCC[C@@]1(C(=O)O)CN(Cc2cc(F)ccc2Cl)CC[C@H]1O 2356160596 ZKGWQSQSCHLIOG-GDBMZVCRSA-N 329.799 2.917 0 50 EFAA CN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1 2916931 GKIKUMZOJQVNMW-UHFFFAOYSA-N 338.411 2.591 0 50 EFAA O=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 4679926 ZUHOWSCMICEHEH-UHFFFAOYSA-N 331.821 2.748 0 50 EFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ncccc1C(F)(F)F 344597130 REFMDBWTZXWHGN-KBMXLJTQSA-N 344.377 2.852 0 50 EFAA CCOc1cccc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 112125041 MYZCYBWGLYULAY-KRWDZBQOSA-N 344.415 2.523 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)cc1 101127687 GZURUEHOGOZZOA-KLHDSHLOSA-N 325.364 2.741 0 50 EFAA OCC[C@H]1CN(Cc2cccc(O)c2)CCN1CC1CCCCC1 105902005 HVYHPMAKDWCJLU-IBGZPJMESA-N 332.488 2.841 0 50 EFAA Cc1n[nH]c2ncc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cc12 135219561 ULTNCZZIRJKCGP-UHFFFAOYSA-N 339.330 2.542 0 50 EFAA Cc1ccccc1CN1CCC[C@@H](CCNS(=O)(=O)C2CC2)C1 67688583 RRBXWZYZKFTHKF-INIZCTEOSA-N 336.501 2.679 0 50 EFAA CCN(Cc1cccc(Cl)c1)C(=O)Nc1ncc(C(N)=O)s1 1434748355 DTMSPQHOPCHCBJ-UHFFFAOYSA-N 338.820 2.949 0 50 EFAA c1ccc(CCc2n[nH]c(C3CCN(c4ncccn4)CC3)n2)cc1 65383918 SJWVRCWXLCVQSC-UHFFFAOYSA-N 334.427 2.764 0 50 EFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c12)C(=O)O 67851316 FQDSFRGOXRAKKD-INIZCTEOSA-N 340.383 2.680 0 50 EFAA Cc1nc(NC[C@H](c2cccnc2)N2CCOCC2)cc(C(C)C)n1 65408592 JJWFPVGUJFOIQD-GOSISDBHSA-N 341.459 2.789 0 50 EFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 230152012 GQDZTYQRBAJTPW-HWWQOWPSSA-N 344.459 2.925 0 50 EFAA CCCc1cnc(C)nc1N1CCN(Cc2nccn2C(C)C)CC1 65386012 DITXYBLPJLVPPJ-UHFFFAOYSA-N 342.491 2.837 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1 252504851 VNIBOJGLINZVGP-UHFFFAOYSA-N 349.793 2.729 0 50 EFAA Cc1c([C@H](C)NC(=O)c2cnn(C(C)C)c2)cnn1-c1ccccn1 12318670 UXLKSROXADWTFY-ZDUSSCGKSA-N 338.415 2.844 0 50 EFAA CC(C)c1cc(C(=O)NCC[C@H]2COc3ccccc3O2)n(C)n1 65454320 QHHRNWAMZKHIOO-ZDUSSCGKSA-N 329.400 2.503 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(Cl)s3)CCO2)o1 328609134 CIHXGFGFRCBNJT-NSHDSACASA-N 341.820 2.626 0 50 EFAA O=C(NC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1)NC1CCCC1 67514905 BRHXCUIISHDYLP-CQSZACIVSA-N 341.459 2.627 0 50 EFAA CC(C)Oc1ccc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1 204542 BECBLNMRNMDZCM-OAHLLOKOSA-N 348.296 2.895 0 50 EFAA O=C(NCCc1cccc2[nH]ccc12)N1CC[C@H](CN2CCCC2)C1 283153980 MIBIRWIKDFMRHH-MRXNPFEDSA-N 340.471 2.838 0 50 EFAA CCc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)F)cc1 1460487 STGJQSNAOHACSI-BZNIZROVSA-N 326.343 2.578 0 50 EFAA Cc1cc(NC(=O)[C@@]2(C)CC2(Br)Br)no1 2770692 RNIFFCXLLSWVCY-MRVPVSSYSA-N 337.999 2.818 0 50 EFAA CC[C@@H]1CN(C(=O)c2ocnc2C)CCC(=O)N1Cc1ccccc1 71760129 SEEWUCVGQBITDI-MRXNPFEDSA-N 341.411 2.636 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 435585568 SZCHHZJMJXPSOG-TUKIKUTGSA-N 328.865 2.905 0 50 EFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@@H]2C(F)F)nn1 330411720 RXDOFFKETABMQM-CQSZACIVSA-N 338.333 2.975 0 50 EFAA Cc1cc([C@H]2CCCN(C(=O)N[C@H](C)c3cncc(F)c3)C2)n[nH]1 332743763 RZGPEIIJAUDSGZ-OLZOCXBDSA-N 331.395 2.902 0 50 EFAA COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3C)CC2)cc1 12207360 PJVYLDCEDGGKHF-UHFFFAOYSA-N 343.471 2.554 0 50 EFAA Cc1nc(S)sc1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 125345533 WNPXAAWJQJOBMA-GDLCADMTSA-N 338.498 2.747 0 50 EFAA C[C@@H]1CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C[C@@H](c2ccsc2)O1 363899928 OOUKFWZBMIJJGU-WPGHFRTFSA-N 346.456 2.500 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cnc2ccccc2c1 219751057 YDBHNPRADJYFAL-QZTJIDSGSA-N 349.390 2.596 0 50 EFAA Cc1cc(C)n([C@H](C)Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)n1 333695020 JPJDDHLAXBBMJG-BZUAXINKSA-N 345.447 2.612 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1ccc3c(c1)OCO3)C2 216188210 ILMBABHYKXXCHL-UHFFFAOYSA-N 341.363 2.849 0 50 EFAA CCOc1c(Cl)cc(CNC(=O)[C@H]2C[C@@]23CCOC3)cc1OC 373409530 UNEGYPSAPXTTSO-SJKOYZFVSA-N 339.819 2.790 0 50 EFAA Cc1cccc2c1O[C@@H](C(=O)N(C)Cc1c(C)nc3sccn13)C2 449841330 KJSRRCFEFUPMHT-OAHLLOKOSA-N 341.436 2.975 0 50 EFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCCc2ccncc2)c1C 219362329 RJJJBOLPIPZTNP-CYBMUJFWSA-N 342.443 2.798 0 50 EFAA O=C(c1cccc2c1OCC2)N1CCO[C@@H](Cc2cccc(F)c2)C1 71749487 TWFHVUFJUZBNKQ-KRWDZBQOSA-N 341.382 2.844 0 50 EFAA Cc1cccc(Oc2ncccc2NC(=O)[C@H]2CN(C)CCO2)c1C 174718203 BQZNINCHJFLQNK-QGZVFWFLSA-N 341.411 2.760 0 50 EFAA C[C@H]1OCC[C@H]1NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 129704936 PBEDRLPGBRZYME-NOZJJQNGSA-N 337.326 2.585 0 50 EFAA CC1(C)OC(=O)c2c1ccnc2N1CCC2(C1)Oc1ccccc1O2 377175956 PLBAIFALWIEHSX-UHFFFAOYSA-N 338.363 2.865 0 50 EFAA CC(C)Oc1cccc2c1c(NC(=O)CCc1cc(O)no1)nn2C 77538099 RXNRZKHOOJPVMI-UHFFFAOYSA-N 344.371 2.625 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccnc1 219363515 CVPXEZBTROLVNF-GXOAENINSA-N 333.391 2.872 0 50 EFAA COc1cccc([C@@H]2CCCCN2CC(=O)Nc2cnn(C)c2)c1 72127242 PZHBLMUGYWIJFZ-KRWDZBQOSA-N 328.416 2.594 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1CC(=O)O 340907636 BPUZIWINBCOAAS-UHFFFAOYSA-N 349.408 2.740 0 50 EFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(C)[C@H]1CCNC1 178946287 SDIDGYOLLFGUGT-NSHDSACASA-N 344.889 2.846 0 50 EFAA COc1ccc(-c2coc3cc(OC(=O)[C@H](C)N)ccc3c2=O)cc1 19791594 KBAIVDMJISYYJU-NSHDSACASA-N 339.347 2.721 0 50 EFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2scnc2C)c1C 220485065 ONMXZMILHGAOOH-SNVBAGLBSA-N 348.472 2.777 0 50 EFAA CCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cnc(N)nc2)c1 426584062 RJSUHYKKWOEEKS-QGZVFWFLSA-N 340.427 2.757 0 50 EFAA Cc1ncc(C(=O)N2CCC[C@@H](c3ncon3)C2)c(-c2ccccc2)n1 426533830 SXTAWSGIHYHNND-OAHLLOKOSA-N 349.394 2.855 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(CCN(C)C)Cc2ccccc2)n1 426712844 XEBFBJCHUQFZID-GOSISDBHSA-N 340.471 2.857 0 50 EFAA CCCn1ccnc1CN1C[C@@H](C(=O)O)[C@H](c2ccccc2OC)C1 91769709 DXQZNKQBSVUICK-JKSUJKDBSA-N 343.427 2.602 0 50 EFAA COCc1nc(NCc2ccc(SC)cc2)cc([C@@H]2CCOC2)n1 426649534 GUJFDAHYIIRXBQ-CQSZACIVSA-N 345.468 3.461 0 50 EFAA COC(=O)c1cc(C(=O)OC)cc(-c2ccc(F)c(C(=O)OC)c2)c1 97757041 HMCNIOOKCVECQE-UHFFFAOYSA-N 346.310 2.853 0 50 EFAA CC(C)(C)N1C[C@@H](C(=O)NCCCn2ccc3ccccc32)CC1=O 91594825 KYGRDIKISLHGFS-INIZCTEOSA-N 341.455 2.795 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC(COc3ccccc3)CC2)cn1 237986299 INQXVFXDLJZNMO-UHFFFAOYSA-N 340.379 2.711 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)n(C)n1 91914659 NIJWRWJVEUCVOZ-UHFFFAOYSA-N 332.492 2.709 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)NCc2ccc(Cl)cc2)C1 92002446 NTCRUWVNZDOFOG-KRWDZBQOSA-N 340.851 2.661 0 50 EFAA CCCN1CCC(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 244734952 NONLKMTWJPEUDQ-QKLQHJQFSA-N 345.487 2.522 0 50 EFAA O=C(COCc1ccccc1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244898950 ZELPZRIGQPWDLC-RVKKMQEKSA-N 331.437 2.893 0 50 EFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1n[nH]c2ccccc12 244866466 VWQYHLPTWODEKB-RWSFTLGLSA-N 327.409 2.866 0 50 EFAA Cn1nc(C(C)(C)C)cc1C(=O)NCCCc1nc2ccccc2[nH]1 298682294 CCJAJAGQMCKTNO-UHFFFAOYSA-N 339.443 2.957 0 50 EFAA 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1875270956 WRLVSNMAPIBVEC-LLVKDONJSA-N 330.306 2.663 0 50 EFAA Cn1c(CC(=O)N2CCC(C(C)(C)CN)CC2)cc2ccccc21 1875314967 BYSIHMFHNLAGKL-UHFFFAOYSA-N 327.472 2.944 0 50 EFAA CC(=O)N1CCC(c2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)CC1 1875385065 LWLQVSIAGFRSGY-UGKGYDQZSA-N 328.456 2.886 0 50 EFAA CN1CC[C@@H](CN(C)C(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)C1 952994574 YJCPQZIPEMMEBU-GFCCVEGCSA-N 343.393 2.788 0 50 EFAA O=S(=O)(c1cnc(F)c(Cl)c1)N(Cc1cccnc1)C1CC1 952992591 PMEGBGYUYFDIHY-UHFFFAOYSA-N 341.795 2.622 0 50 EFAA CC(=O)c1cc2c(cc1NC(=O)CCn1nc(C)cc1C)OCCO2 952976906 QCFDREASOBBTMQ-UHFFFAOYSA-N 343.383 2.503 0 50 EFAA CCCn1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c(C)n1 952985370 RYBMJCSMSQAZMD-UHFFFAOYSA-N 340.427 2.675 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N[C@@H]1C[C@@H](O)C12CCOCC2 887001913 CRUAUFOMGVVRRL-XAWIXRBMSA-N 329.440 2.617 0 50 EFAA CCC(CC)(C(=O)N[C@H]1CCc2nnn(C)c2C1)c1ccccc1 886752358 MDOXBBMSWYJKHO-HNNXBMFYSA-N 326.444 2.547 0 50 EFAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3[nH]1)C2 888097646 LWMIDCDYPPCOHP-YSTOQKLRSA-N 327.472 2.737 0 50 EFAA CCCC(=O)N[C@@H]1CCCN(Cc2cn(C)nc2C2CCCC2)C1 891856666 XJKOEXNENAZCLE-QGZVFWFLSA-N 332.492 2.958 0 50 EFAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 275607072 QTKCABRISNWSPW-OAHLLOKOSA-N 337.427 2.561 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)CC1 186646667 IZDCRZOGSSFHLE-INIZCTEOSA-N 340.423 2.851 0 50 EFAA CC(=O)Nc1nc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cs1 276167477 GOFPQYAEAKQPQC-SECBINFHSA-N 335.351 2.905 0 50 EFAA Cc1ccnc([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)nc2)n1 636042721 LALJIIAZQQTFEU-OAHLLOKOSA-N 339.443 2.907 0 50 EFAA O[C@H](C[C@H]1COCCN1c1nc(C2CC2)ns1)c1cccs1 301547784 FOJFHSIBQQSPEV-NWDGAFQWSA-N 337.470 2.806 0 50 EFAA CC(C)(O)CN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 188989326 AIEFRKXHOKRDDN-MRXNPFEDSA-N 334.416 2.622 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2sc(Br)nc2C)C1 408517155 AISBVTDZHNGZFN-SECBINFHSA-N 333.251 2.713 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nc3cc(F)ccc3o2)C1 189320705 VAOCEMKSCPOQAI-WCQYABFASA-N 332.335 2.620 0 50 EFAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406176 XAFNMAIYVWWAOM-KGLIPLIRSA-N 337.847 2.965 0 50 EFAA CNC(=O)c1cccc(CCN[C@@H]2CCc3c(cccc3OC)C2)c1 192443259 VHELNFMACFHGKR-GOSISDBHSA-N 338.451 2.744 0 50 EFAA CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(Br)o1)CC2 192983869 NWOROZPGALYDFD-ZJUUUORDSA-N 339.237 2.862 0 50 EFAA Cc1nc(Cc2noc([C@@H]3CCCO[C@@H]3c3ccccc3)n2)no1 193161453 RXDJINMEVUZMHE-CZUORRHYSA-N 326.356 2.987 0 50 EFAA Cc1ccccc1C1(NS(=O)(=O)c2cc(C)c(C(=O)O)o2)CC1 663427734 YHMFKUGZHOABRY-UHFFFAOYSA-N 335.381 2.562 0 50 EFAA C[C@H](NCc1cccc(OCCN2CCCCC2)c1)c1nncn1C 1506425819 SAJNIDMSTAPITR-INIZCTEOSA-N 343.475 2.531 0 50 EFAA Cc1ccccc1OC[C@@H]1CCCN(Cc2nc(C(=O)O)co2)C1 1529151325 BAGOFPJPBNMSFB-CQSZACIVSA-N 330.384 2.972 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@@H]2NC(C)=O)cc1 213053761 DSYXARJAOWVKJE-CVEARBPZSA-N 344.436 2.501 0 50 EFAA COc1cc(-c2onc(NCCc3cn[nH]c3)c2C(=O)O)ccc1F 1772707389 RNXMQGSFOHYZEJ-UHFFFAOYSA-N 346.318 2.565 0 50 EFAA Cc1cccc(CN2CCC[C@@](O)(CNCc3ccc(C)o3)C2=O)c1 11717333 IHSSAIPSDIDCLK-HXUWFJFHSA-N 342.439 2.540 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H](Cc3cccc4ccccc34)C2)n[nH]1 11936590 GTPOCOGPXUEROU-QGZVFWFLSA-N 335.407 2.955 0 50 EFAA CCOc1cccc(C(=O)Nc2cccc(C(=O)NCCOC)c2)c1 12404354 RKUFZERIDLKLNX-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 14092931 FHIVXSWLABGDKB-LBPRGKRZSA-N 344.440 2.709 0 50 EFAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OCO2 17016799 MQFJEMMHIQZFHV-OAHLLOKOSA-N 342.376 2.857 0 50 EFAA O=C1CCc2c1cccc2C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857706061 IOWZEUUBPPGRST-UHFFFAOYSA-N 335.407 2.657 0 50 EFAA COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CCCOC2)cc1 225423111 HPQBTNJYRQYEOM-APWZRJJASA-N 346.471 2.765 0 50 EFAA COc1cccnc1N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 121311413 OMPJORAQTSAZEP-UHFFFAOYSA-N 348.786 2.720 0 50 EFAA CCCN1CCC(N[C@@H]2CCC(O)=N[C@H]2c2cnn(CC)c2)CC1 328650659 VQLOGCXHBQQRKK-AEFFLSMTSA-N 333.480 2.527 0 50 EFAA Cc1cnc(COCC(=O)N2CCC[C@H]2COc2ccccc2)o1 452555416 YCKDQIQZHIQPCW-HNNXBMFYSA-N 330.384 2.570 0 50 EFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 247234831 ODMFGWVSGHLDRI-IVSAIRAKSA-N 331.460 2.877 0 50 EFAA COc1cc(OC)c(OC)cc1CN[C@H](C)c1c(C)nn(C)c1C 252488491 ITCFEBISMOOIJO-LLVKDONJSA-N 333.432 2.914 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1c1ncncc1Br 253396132 KRIPVCXXINCEQH-RAIGVLPGSA-N 326.238 2.759 0 50 EFAA Nc1ncnc(N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1Cl 365056816 SFXZJEDIDWKNFP-CYBMUJFWSA-N 343.818 2.665 0 50 EFAA Cc1nc(N[C@@H]2CCC[C@@H]2C(=O)O)c2cnn(-c3ccccc3)c2n1 900978970 VCYBUVRMEUOTTB-DZGCQCFKSA-N 337.383 2.789 0 50 EFAA CCc1ccc2nc(N3C[C@H]4COC[C@@H](C3)CN4C)cc(C)c2c1 1704310001 VTYBCYMHEILUJK-SJORKVTESA-N 325.456 2.872 0 50 EFAA CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cnn2ccccc12 809720753 MQUFHQQJACKNJE-INIZCTEOSA-N 330.432 2.823 0 50 EFAA COc1cnc(NC(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)s1 931283211 FTKHQDPMLDHRFB-VIFPVBQESA-N 332.385 2.526 0 50 EFAA Cc1nn(CC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c2ncccc12 934902989 QMYQKBFRAADPHG-ZDUSSCGKSA-N 338.411 2.535 0 50 EFAA Cc1oc(Br)cc1C(=O)N1CCC[C@H](CCO)CC1 331566338 DDBLEOKRCSYDEY-NSHDSACASA-N 330.222 2.975 0 50 EFAA O=C(c1ccc2ncccc2c1)N1CCC(c2nccc(O)n2)CC1 2325757680 LVCKIAVNDNBLPJ-UHFFFAOYSA-N 334.379 2.750 0 50 EFAA C[C@@H]1CN([C@H]2CCN(c3ccn(C)n3)C2=O)Cc2c(Cl)cccc21 2325771986 JOGJRQDKARKCFE-WBMJQRKESA-N 344.846 2.798 0 50 EFAA O=C(O)[C@H](CNC(=O)N1Cc2ccccc2C1)Cc1ccc(F)cc1 2325790547 SWPYUGYBSFKURS-INIZCTEOSA-N 342.370 2.794 0 50 EFAA CC(C)c1cnc(Nc2ccc([C@@H](C)N)cc2)nc1N1CCNCC1 2325791074 QOAJNMSKMCXOIF-CQSZACIVSA-N 340.475 2.773 0 50 EFAA Fc1cc(F)cc([C@@H]2CCCN2c2ccnc(N[C@@H]3CCNC3)n2)c1 2325798180 STLZTICOOMHBBJ-CVEARBPZSA-N 345.397 2.870 0 50 EFAA COc1ccc(CCNC(=O)COc2ccccc2C)cc1OC 130061 XPVHCZSUBBGYBV-UHFFFAOYSA-N 329.396 2.750 0 50 EFAA biogenic O=C1C=C(N2CCCCC2)C(=O)N1c1ccc(Br)cc1 206011 JUJKQMOBWSEAOJ-UHFFFAOYSA-N 335.201 2.692 0 50 EFAA COc1ccccc1-c1noc(CCC(=O)NCc2ccccc2)n1 2196341 ZBCQTVBHINOAKH-UHFFFAOYSA-N 337.379 2.994 0 50 EFAA O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(Br)o1 4520054 MDUNMVSLYIRHNW-UHFFFAOYSA-N 326.102 2.698 0 50 EFAA CO[C@@H](C)C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 416260365 JUIAXJGMCXRYQV-ZETCQYMHSA-N 328.294 2.772 0 50 EFAA CCOc1ccccc1C(=O)Nc1ccccc1C(=O)NCCOC 10673450 BCYAQGGXNJJUST-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA CO[C@H]1C[C@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2 416565313 SRFGNXDAUVKDBV-HOTGVXAUSA-N 346.452 2.612 0 50 EFAA Cc1ccccc1-c1ncc(CN2C[C@H](N(C)C)C[C@H]2C(=O)O)s1 102546485 QYIXZGPCVPKAKX-CJNGLKHVSA-N 345.468 2.708 0 50 EFAA O=C(C(=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1)c1ccco1 55271928 SYENLGUXVDNIQK-OAHLLOKOSA-N 331.343 2.809 0 50 EFAA CCn1ncc2c1NC(=O)C[C@@H]2c1cnc(NCc2ccccc2)nc1 65372009 JLYMCXHDFUNZNG-OAHLLOKOSA-N 348.410 2.779 0 50 EFAA OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCC1 20271875 PSTIOJFSAOTWCU-MRXNPFEDSA-N 346.500 2.503 0 50 EFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3cccc(O)c3)nc2)C1 67850864 QXHBZHBPTXQBSJ-AWEZNQCLSA-N 326.396 2.953 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC(CN)CC3)c(C)o2)c1 67774308 XAAJFAKKSRSPDX-UHFFFAOYSA-N 345.443 2.838 0 50 EFAA CCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1 21794395 NMIXEBJNPVNDSC-UHFFFAOYSA-N 341.415 2.714 0 50 EFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)Nc1ccc(C(=O)O)cc1 1506414249 NDVNDRDIWWMJFL-MRXNPFEDSA-N 343.383 2.585 0 50 EFAA CC[C@H](Sc1nc(N)n[nH]1)C(=O)N1CC=C(c2ccccc2)CC1 252510503 ZMEDSUXXSSPLOW-AWEZNQCLSA-N 343.456 2.574 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCN2CCC[C@H]2C1 252511207 DZHUANRCUJTCAV-IKGGRYGDSA-N 335.492 2.794 0 50 EFAA CN(Cc1ccco1)C(=O)c1cc(Cn2cnc3ccccc32)on1 67852391 JXFROOOMMRGJNU-UHFFFAOYSA-N 336.351 2.938 0 50 EFAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC2CC(c3ccccc3)C2)o1 328645171 SBGZVKHFNCTUAP-XGHPGWEVSA-N 330.407 2.831 0 50 EFAA CCCc1nc(C(=O)N2CCCO[C@@H](C)C2)nn1-c1ccccc1F 172955077 MBGVLBRRUAZZGP-ZDUSSCGKSA-N 346.406 2.610 0 50 EFAA COC(=O)c1cc(C)nc(NC[C@@H](O)c2ccc(Cl)c(F)c2)n1 253425731 DTMDACUALARSRQ-CYBMUJFWSA-N 339.754 2.510 0 50 EFAA CCC(CC)N(C(=O)[C@H]1COCCO1)[C@H]1CCCc2cccnc21 330282480 VIOJKBVAXXNCLJ-DLBZAZTESA-N 332.444 2.892 0 50 EFAA O=S(=O)(NCc1ccccc1)N1CCCC[C@H]1c1cccnc1 71755535 HMKPUVOUQKRHPX-KRWDZBQOSA-N 331.441 2.643 0 50 EFAA Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)n1 363350240 WCVVIRKISPTDTG-QGZVFWFLSA-N 340.471 2.623 0 50 EFAA O=C(/C=C/c1ccc[nH]1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 365809620 XSHABHPRXHEEBV-KDCQFRKDSA-N 330.815 2.916 0 50 EFAA CCN1N=C(c2ccccc2)[C@@H](C(=O)Nc2ccccc2F)C1=O 155616792 KIIWWHILTDEFGN-HNNXBMFYSA-N 325.343 2.647 0 50 EFAA CCc1oc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1C 156578621 WZYUSAGBZNSFAX-AWEZNQCLSA-N 328.416 2.681 0 50 EFAA Cc1nc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)cn1C 72154866 ZWZBPJFXUYYUSC-QGZVFWFLSA-N 347.484 2.905 0 50 EFAA O=C(O)CCN(C(=O)C[C@@H]1CCCc2ccccc21)C1CCOCC1 238064750 HGIISAFJHQHCGE-INIZCTEOSA-N 345.439 2.979 0 50 EFAA C[C@@H](O)CNc1ccnc(C(=O)NCCc2ccccc2Cl)c1 71764190 NKHPOJZJMOXSQJ-GFCCVEGCSA-N 333.819 2.500 0 50 EFAA COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1nnnn1C1CC1 285260103 BDQNUQCCAMURDE-CZUORRHYSA-N 327.432 2.990 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1 262741714 IRVSBKJCQHGCQH-JTQLQIEISA-N 338.157 2.885 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(OC)cc1 72146619 WUWDWCYMGHDKST-OAHLLOKOSA-N 334.416 2.713 0 50 EFAA Cc1nc(=N)[nH]c(C)c1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F 453028107 QWZSJBAQJKSMKH-QWRGUYRKSA-N 330.354 2.747 0 50 EFAA CNC(=O)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cn1 343270984 BQJZSFVAMGTMPJ-UHFFFAOYSA-N 346.390 2.679 0 50 EFAA C[C@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccc(Cl)cc1Cl 336928134 XJEQYAHERWESED-UWVGGRQHSA-N 344.242 2.927 0 50 EFAA CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)CC1 337314359 XPZYFBGCRYYPLZ-CYBMUJFWSA-N 331.384 2.664 0 50 EFAA CCCCCC[C@@H](O)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 242183912 XCXXOGLAXRVSMW-ZIAGYGMSSA-N 338.414 2.708 0 50 EFAA Cc1nc(C(=O)NC(C)(C)c2nc(C)c(C)s2)ccc1C(=O)O 263363044 VAAMKRWVOJPKGL-UHFFFAOYSA-N 333.413 2.827 0 50 EFAA COc1cccc2c1CC[C@@H](N[C@H](Cc1ccccc1)C(=O)O)C2 263375030 AHIQDPSCIIFBOG-SJLPKXTDSA-N 325.408 2.838 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(Cc3ccsc3)CC2)cn1 72469367 FKURQDGJMWWGRF-UHFFFAOYSA-N 332.425 2.950 0 50 EFAA O=C(CCn1cccn1)N1CCCC[C@@H]1CCc1ccc(O)cc1 82170829 JHSMNCSCMOJEAS-QGZVFWFLSA-N 327.428 2.993 0 50 EFAA O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCC[C@H](O)C1 222735221 JMJFHYRDDXEWTO-AAEUAGOBSA-N 335.835 2.816 0 50 EFAA Cc1cc(C)c(CN2CCC(Cn3cc(CO)nn3)CC2)cc1C 19852211 FWUUMIRWFGMNDI-UHFFFAOYSA-N 328.460 2.608 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2[nH]c(C)nc2c1 220159583 UIKYVYFNUWOKJD-MSOLQXFVSA-N 343.427 2.741 0 50 EFAA Cc1cccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)c1 195520679 GDNXRXXAOWNAEG-INIZCTEOSA-N 326.444 2.791 0 50 EFAA O=C(NCCSc1cnn[nH]1)[C@]1(c2ccccc2)CC12CCCC2 426503089 TWBOEZZBJPPBKI-GOSISDBHSA-N 342.468 2.915 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)C1CCN(C2CCCCC2)CC1 95379629 IBFHOSWCQALANU-HNNXBMFYSA-N 330.476 2.569 0 50 EFAA COc1ccc(F)c(CN2CCOC[C@@H]2c2nnc(C(C)C)o2)c1 294842990 ZIYCZBHBPIHPQP-OAHLLOKOSA-N 335.379 2.914 0 50 EFAA O=S1(=O)CC[C@@H](c2csc(NCc3ccc(F)cc3)n2)C1 295370890 PGYDPBMHZXJVTF-LLVKDONJSA-N 326.418 2.796 0 50 EFAA Cc1nn(C)c2nc(N3CCCC[C@@H]3CCN3CCCC3=O)sc12 95501023 PJSBIWRNDKCLOW-CYBMUJFWSA-N 347.488 2.710 0 50 EFAA CC(C)c1cc(-c2nc(-c3cn4ccccc4n3)no2)nc2ncnn12 96139946 FXHWVHZKENPFIU-UHFFFAOYSA-N 346.354 2.612 0 50 EFAA O=C(CNC(=O)N1CCCC[C@H]1CCc1cccs1)N1CCCC1 534665410 NNTMEWYFNMMRIF-HNNXBMFYSA-N 349.500 2.867 0 50 EFAA Cc1ncn(CC(=O)N2CCC[C@H](COc3ccccc3F)C2)c1C 299757269 JSRJGECKEPWMMM-INIZCTEOSA-N 345.418 2.957 0 50 EFAA C[C@H](Cn1cccn1)C(=O)NCc1cccc(C(F)(F)F)c1F 827628077 PEFXHJPMWLCATI-SNVBAGLBSA-N 329.297 2.994 0 50 EFAA Cc1ccc(OC2CN(C(=O)NC[C@H](C)N3CCCCC3)C2)cc1 584895609 QQZLTBNGOUVIMV-INIZCTEOSA-N 331.460 2.642 0 50 EFAA O=C(NS(=O)(=O)[C@H]1CCOC1)c1csc(C2CCCCC2)c1 1875283744 DHKDMFMVPCGRQF-ZDUSSCGKSA-N 343.470 2.644 0 50 EFAA Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C)c1cc(O)n[nH]1 1875334652 XURDMOMXXISXGH-QMMMGPOBSA-N 330.319 2.709 0 50 EFAA C[S@](=O)(=NC(=O)[C@@H](O)c1cc(F)cc(F)c1)c1ccccc1 1875356428 JZZHILHIUMXQOH-RCDICMHDSA-N 325.336 2.682 0 50 EFAA CC(=O)N1CC=C(c2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)CC1 1875385238 PAOLCBGSVMVLDL-UGKGYDQZSA-N 326.440 2.795 0 50 EFAA Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1cc(C)n(C)n1 952970285 OPPRIBICPHWRBS-UHFFFAOYSA-N 328.416 2.675 0 50 EFAA Cc1c(NC(=O)C[C@H](N)c2ccccc2)cccc1C(=O)N(C)C 952962330 DPUZABPZQVPILK-INIZCTEOSA-N 325.412 2.725 0 50 EFAA N[C@H]1CC[C@@H](n2cc(C(=O)Nc3ccc4scnc4c3)nn2)CC1 952864470 ZDVIJQJNDLXENC-KLPPZKSPSA-N 342.428 2.583 0 50 EFAA O=C(C1CCCC1)N1CCCN(Cc2nc(-c3ccco3)no2)CC1 980605318 PQKBZGWJLOWNEA-UHFFFAOYSA-N 344.415 2.554 0 50 EFAA Cc1ccc(-c2cc(-c3nc(C(C)(C)S(C)(=O)=O)no3)n[nH]2)cc1 1775985046 BSXWUWKZIKKQNO-UHFFFAOYSA-N 346.412 2.715 0 50 EFAA Cn1ccc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 271268312 IYMOVYZDSFXFBT-GJZGRUSLSA-N 325.334 2.747 0 50 EFAA Cc1nsc(C)c1-c1noc(Cc2cnn(-c3ccccc3)n2)n1 752879505 VMUFFOOVHZASFO-UHFFFAOYSA-N 338.396 2.981 0 50 EFAA C[C@@H]1COC2(CCN(C(=O)NCCOC3CCCCCC3)CC2)O1 169991676 WSZNBRXULUKSCY-OAHLLOKOSA-N 340.464 2.663 0 50 EFAA COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 170635855 NLDACEFPGXWBKJ-AWEZNQCLSA-N 344.436 2.802 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@H](C1CCC1)[C@H]1CCCO1 635519017 IJBWUJAZADVSJV-HZPDHXFCSA-N 332.400 2.532 0 50 EFAA Cc1ccc(C2=NO[C@H](CNC(=O)c3nc(C)sc3C)C2)cc1 282024710 AMQLFDWCIZKLBB-AWEZNQCLSA-N 329.425 2.991 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N3CCOCC4(CCCC4)C3)cc12 681393146 VGRGKGAZDDQMPE-UHFFFAOYSA-N 343.431 2.701 0 50 EFAA CCN1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1=O 639907606 ZCPYJQFIGCQMLZ-ILXRZTDVSA-N 326.799 2.520 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1OC 225541534 LBFSWXUVBBRBFE-CVEARBPZSA-N 345.370 2.791 0 50 EFAA O[C@@H]1CCCN(c2cc(Br)cnc2Br)C1 225815697 VWNAOYNDJGRRJX-MRVPVSSYSA-N 336.027 2.568 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(Cl)c1 191817525 AMQRLFQUVVDFDR-ZDUSSCGKSA-N 330.819 2.837 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(CCOc2ccccc2Cl)CC1 191999915 YCTNKRPVINJSEF-CQSZACIVSA-N 340.851 2.590 0 50 EFAA Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1C(=O)NCC[C@@H]1C 194125416 PEKJYHBZEWCXHS-GXFFZTMASA-N 344.440 2.765 0 50 EFAA CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 195373654 RPUZNAMKGGSFAR-HOCLYGCPSA-N 348.468 2.548 0 50 EFAA CCN(CC)[C@H](CNC(=O)c1ccnn1C(F)F)c1ccco1 667356216 QBCHJTAXCVAFRE-GFCCVEGCSA-N 326.347 2.684 0 50 EFAA Cc1ccn2c(NC(=O)c3ccc([C@@H]4CCCO4)s3)nnc2n1 1506418373 SFDZJBUUGYQLAT-JTQLQIEISA-N 329.385 2.598 0 50 EFAA O=C(CCc1nc2ccccc2s1)N1CCC[C@H](C2(O)CC2)C1 1772814757 ACMGQDALUCMRMT-ZDUSSCGKSA-N 330.453 2.992 0 50 EFAA O=C(COc1ccc(Br)cc1Cl)Nc1nncs1 13325395 MGTGDQXPSDRSCI-UHFFFAOYSA-N 348.609 2.972 0 50 EFAA O=[S@@](c1ccccc1N1C[C@H]2C[C@@H](O)CC[C@H]2C1)C(F)(F)F 1857532821 DPSHFEWMQSLPHI-NILGIDIQSA-N 333.375 2.911 0 50 EFAA CN(CCn1cnc2ccccc21)C(=O)[C@@H](O)c1ccc(Cl)cc1 1857679921 APFJYGCNWOULKJ-KRWDZBQOSA-N 343.814 2.882 0 50 EFAA COc1ccc(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c2ccccc12 1857723715 SAGFHSPMEFDWJC-UYWIDEMCSA-N 339.435 2.820 0 50 EFAA O[C@H]1CN(c2ncnc3nc[nH]c23)CC[C@@H]1c1ccc2ccccc2c1 212077791 VUSNGAHPEUOXPV-SJORKVTESA-N 345.406 2.861 0 50 EFAA COc1ccccc1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225540730 VRRYAKBAGLTYLR-IRXDYDNUSA-N 329.371 2.711 0 50 EFAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 237679734 YTIGKQHVNSCEOQ-MSOLQXFVSA-N 339.391 2.878 0 50 EFAA O=C(O)c1cc(NS(=O)(=O)c2ccco2)cc(C(F)(F)F)c1 358852350 GRFAKFNLDJZGDC-UHFFFAOYSA-N 335.259 2.797 0 50 EFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C)n(C(C)C)c2C)C1 779855680 RNSYGCMWNPIFGZ-GDBMZVCRSA-N 346.431 2.979 0 50 EFAA O=C1NCCCC[C@@H]1Cc1nc(-c2ccccc2OC(F)F)no1 377437678 GRQIMBPSSQFLQP-SNVBAGLBSA-N 337.326 2.797 0 50 EFAA O[C@H](CN[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cn1 819197400 JCHITTRFYVODET-KBXCAEBGSA-N 333.382 2.652 0 50 EFAA CCCc1ccccc1C(=O)N1CCC(c2nnc(O)n2CC)CC1 823380922 XLOAMXSXIBWQEQ-UHFFFAOYSA-N 342.443 2.976 0 50 EFAA COCc1ccc([C@@H]2COCCN2C(=O)c2ccnn2C2CCC2)o1 830129447 RLFXTQRHOBWINA-INIZCTEOSA-N 345.399 2.561 0 50 EFAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 935701579 UOMGGGSEAVGESC-SDBXPKJASA-N 341.820 2.544 0 50 EFAA CC(C)c1nc(O)ccc1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 2100478291 ZBGMFUWBPLOVGX-UHFFFAOYSA-N 340.427 2.752 0 50 EFAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3scnc3[nH]2)C1 2325811264 JKORPEIUUBSSQZ-CQSZACIVSA-N 340.452 2.971 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(F)F)cc1 190531 RIICZFJCKNTNDW-LBPRGKRZSA-N 342.367 2.644 0 50 EFAA CCOc1ccccc1-c1n[nH]c(=NC(=O)c2cc(C3CC3)no2)o1 2356135511 HQUMOKKAIPCQFE-UHFFFAOYSA-N 340.339 2.675 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356146642 OLKVSRSWHMMHQJ-FQEVSTJZSA-N 347.422 2.920 0 50 EFAA CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1 2843381 UYHOCGIOQIMWIC-UHFFFAOYSA-N 328.368 2.690 0 50 EFAA COc1cc(OC)c(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 2845470 UNGNJMYRHZUYFV-UHFFFAOYSA-N 345.351 2.736 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(O)c(C(C)C)c1 134111871 YQUOGEVMGPLILI-AWEZNQCLSA-N 332.444 2.990 0 50 EFAA CCCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 3462863 KZYYRLWYKSKYNI-UHFFFAOYSA-N 329.381 2.792 0 50 EFAA COc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 3481728 LAHROZOLFZOMBK-UHFFFAOYSA-N 338.363 2.710 0 50 EFAA Cc1nc(-c2ccccc2)c(NC(=O)COC[C@@H]2CCCO2)n1C 2356169249 NPXBEFWOYRDQGR-HNNXBMFYSA-N 329.400 2.530 0 50 EFAA O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1cccnc1 4487359 RIGORWGEHQSSQR-UHFFFAOYSA-N 338.194 2.548 0 50 EFAA CCCCn1ncc(C)c1NC(=O)COc1ncnc2ccccc12 55343349 PPSUGDZYBODFNG-UHFFFAOYSA-N 339.399 2.952 0 50 EFAA Cc1ccc(C2(CN(C)Cc3cccc(O)c3)CCNCC2)nc1 65371461 GUCQTLJAHLRJRU-UHFFFAOYSA-N 325.456 2.849 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc4nc(S)oc4c3)[C@@H]2C1 126155188 YTUQRSOWEDIGLE-BNOWGMLFSA-N 348.424 2.525 0 50 EFAA COC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)C1 171462416 XMZTXFPKWYSIKZ-RYUDHWBXSA-N 325.792 2.519 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1OC 282641351 UCHUCVLBBJXADG-CVEARBPZSA-N 345.370 2.791 0 50 EFAA CN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C1CC1 253433594 ZBYBQENDNPDBLY-GFCCVEGCSA-N 346.246 2.697 0 50 EFAA CN1CCC2(CC1)CCN(S(=O)(=O)c1cc3ccccc3o1)C2 65464846 ZNIHIPPPAXONKY-UHFFFAOYSA-N 334.441 2.539 0 50 EFAA Cc1cc(C)nc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1 67878841 QLSGGTOFXLDVJG-UHFFFAOYSA-N 346.438 2.808 0 50 EFAA CC1CCC(CNC(=O)NCc2ccnc(-n3ccnc3)c2)CC1 363199362 RXKITRPCVGRSBZ-UHFFFAOYSA-N 327.432 2.893 0 50 EFAA Cc1cccnc1[C@H](C)Nc1nc(CC2CC2)nc2c1CCNCC2 72408058 UZCCAXFGYHCJNR-AWEZNQCLSA-N 337.471 2.994 0 50 EFAA CNC(=O)[C@@H]1CN(C(=O)c2occc2C(C)C)c2ccccc2O1 283768085 AJRZRMTURIDFNJ-HNNXBMFYSA-N 328.368 2.557 0 50 EFAA Cc1cc(NCc2nncn2CCc2ccccc2)n2nc(C)cc2n1 72474741 IEURMTFQHXLZOT-UHFFFAOYSA-N 347.426 2.792 0 50 EFAA Cn1cccc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)c1=O 77406603 IHBWKLKGEIFPNZ-UHFFFAOYSA-N 341.798 2.719 0 50 EFAA CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccc(OC)cc2)c(C)[nH]1 71747460 UHCOSVDQNSDROM-HOTGVXAUSA-N 342.443 2.573 0 50 EFAA Cc1cnn(C2(C(=O)O)CCN(C/C=C/c3ccc(F)cc3)CC2)c1 72434833 KCGNXGMPDSHZGJ-NSCUHMNNSA-N 343.402 2.920 0 50 EFAA C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCC4(C3)Oc3ccccc3O4)nn12 333703688 OOPAEXKNMWKDFG-OLZOCXBDSA-N 349.394 2.626 0 50 EFAA CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CCc2scnc2C)c1C 72421625 HPSSCCZSISOYKM-UHFFFAOYSA-N 349.456 2.888 0 50 EFAA CN1CC[C@H](NC(=O)NCc2ccco2)[C@H]1c1ccc(F)c(F)c1 245714138 UJZSPUBWRHVOIN-JKSUJKDBSA-N 335.354 2.802 0 50 EFAA OCCn1ncc2c1CN(Cc1ccc([C@@H]3CCCCO3)s1)C2 215530712 DBXBCLXAQCMROX-INIZCTEOSA-N 333.457 2.694 0 50 EFAA C[C@@H](C(=O)O)N(C(=O)c1ccc(Oc2cccnc2)cc1)C1CC1 263281973 SDKDSBBQRXWDRK-LBPRGKRZSA-N 326.352 2.952 0 50 EFAA COCCC1(CNC(=O)Nc2cccc(-n3ccnn3)c2)CCCC1 130500130 UFABSIHAYMFSPT-UHFFFAOYSA-N 343.431 2.986 0 50 EFAA CCn1c(N)nc2cc(C(=O)NCc3ccc(F)cc3Cl)cnc21 77454894 XNCXWCGYWKZEJN-UHFFFAOYSA-N 347.781 2.756 0 50 EFAA COc1ccc([C@H](C)NCc2ccc(C(=O)N(C)C)[nH]2)c(C)c1OC 288481109 PXDNHGFDUAJOJX-ZDUSSCGKSA-N 345.443 2.893 0 50 EFAA O=S(=O)(c1cccs1)N1CCC[C@H](c2noc(C3CC3)n2)C1 241338666 MCVYCTVNHFCADG-NSHDSACASA-N 339.442 2.577 0 50 EFAA Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 241884853 SYIMBSDNTZLQFX-FUCBWJFKSA-N 348.491 2.761 0 50 EFAA Cn1cc(CC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 131851186 MJRISTLEVOFFCX-RTBURBONSA-N 341.455 2.858 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 177869171 WCDPVDYUEJHDOD-ZDUSSCGKSA-N 327.831 2.962 0 50 EFAA CCc1ncc(CN2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 426523478 NCDJPVMFOCSANO-WSTZPKSXSA-N 345.487 2.978 0 50 EFAA Cc1ccnc([C@H](NC(=O)c2cccc(OCCN)c2)C2CC2)c1 426382830 XLSKXHCVLGWNKF-GOSISDBHSA-N 325.412 2.609 0 50 EFAA COc1cccc([C@H]2CCN2C(=O)Cc2cccc(OCCN)c2)c1 426597223 LVXZJGUHAPAZAB-LJQANCHMSA-N 340.423 2.549 0 50 EFAA OC[C@H]1CN(Cc2ccc3occc3c2)C[C@H]1CN1CCCCC1 91494485 JRDZWKNLAPHYII-RTBURBONSA-N 328.456 2.959 0 50 EFAA Cc1cc2cccc(C(=O)N3CCC(c4cc(=O)[nH]cn4)CC3)c2o1 97553429 PJHMMNVWWUFOFP-UHFFFAOYSA-N 337.379 2.844 0 50 EFAA CCOCCC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96137771 HNRMPIUXHYSEEP-UHFFFAOYSA-N 335.354 2.666 0 50 EFAA Fc1ccc2ncnc(Nc3ccc(N4CCOCC4)nc3)c2c1 180969483 AJZWNKFTVATDPE-UHFFFAOYSA-N 325.347 2.744 0 50 EFAA CCc1nc(CCn2c(C)cccc2=O)n(C2Cc3ccccc3C2)n1 96148271 JTFCAYJMKPXVEQ-UHFFFAOYSA-N 348.450 2.893 0 50 EFAA O=C1CN(c2ncc(C(F)(F)F)s2)CN1CCC(F)(F)F 295012621 PKURLHMADIGZEA-UHFFFAOYSA-N 333.257 2.720 0 50 EFAA C[C@H]1CN(C(=O)c2sccc2OC(F)F)CCN(C2CC2)C1 295305288 JSDNIFZMAYUTCH-SNVBAGLBSA-N 330.400 2.906 0 50 EFAA COc1cc2c(cc1CN1CCC(c3n[nH]c(C)n3)CC1)CCC2 97756325 MVGAFXDIYPUNHD-UHFFFAOYSA-N 326.444 2.990 0 50 EFAA CNc1nc(C[C@H]2COc3c(cccc3OC)C2)nc2c1CCC2 95380938 JXSQZXYOUVTSJL-LBPRGKRZSA-N 325.412 2.809 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCCN(CCCc2ccccc2)CC1 244899520 ZLALEWHZKMNADR-BGYRXZFFSA-N 344.499 2.705 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1OC 299745304 XTXWESPXUWUANX-CYBMUJFWSA-N 327.336 2.532 0 50 EFAA Cc1c(NC(=O)Cc2cn3ccsc3n2)cccc1C(=O)N(C)C 828070174 UIDDFDLEBDRVSJ-UHFFFAOYSA-N 342.424 2.587 0 50 EFAA Cc1nc(CC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cs1 670437451 LGPDSYKRWXMEMZ-KRWDZBQOSA-N 344.484 2.732 0 50 EFAA C[C@H]1CN(CC(F)(F)c2ccc(F)cc2)C[C@@H]1N1CCOCC1 952994195 NIHYJDWPDJLMKG-BBRMVZONSA-N 328.378 2.570 0 50 EFAA O=C(O)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2F)[nH]n1 1875291684 IMHVZQKOWVVNPN-NSHDSACASA-N 331.347 2.685 0 50 EFAA Cn1c(C(=O)N2CCCC[C@@H]2Cn2ccnn2)cc2ccsc21 1875306361 BNJNWALQPVNDMG-CYBMUJFWSA-N 329.429 2.526 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2cnc(C)s2)c2nc(C)n(C)c2n1 1875309462 WDAKSSDBLVCYOV-SECBINFHSA-N 329.429 2.841 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1cc2ccccc2nc1O 952861843 LGFAZFRKUJYGAD-KRWDZBQOSA-N 327.428 2.773 0 50 EFAA CS(=O)(=O)CCC(=O)NCc1ccc(-c2cccc(Cl)c2)o1 952871717 CEYREXXPECITDF-UHFFFAOYSA-N 341.816 2.651 0 50 EFAA Nc1nc(CCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)cs1 952868555 CBOMVLZMNFKCNX-AWEZNQCLSA-N 340.452 2.985 0 50 EFAA COc1cc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)ccn1 1341258096 OIYQOYARFDXQBC-LBPRGKRZSA-N 338.367 2.674 0 50 EFAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccccc1OCc1ccccc1 1565512368 KXAIEVNBJFJCCP-HKUYNNGSSA-N 341.407 2.799 0 50 EFAA C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Br)cn2)CCO1 273440615 BTTSPYJEGTWAPT-MNOVXSKESA-N 327.222 2.779 0 50 EFAA Cc1cc(N2CCN([C@@H](C)c3nnc(C)s3)CC2)nc(C(C)C)n1 170594537 XFXJARDIQAMSHH-ZDUSSCGKSA-N 346.504 2.952 0 50 EFAA COc1ncnc2c1CN(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)CC2 170656867 WFIRCLVIZGEXRT-CZUORRHYSA-N 330.432 2.522 0 50 EFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2nncn2-c2ccccc2)C1 281565084 CZDZDUZVONPWHJ-MSOLQXFVSA-N 338.386 2.714 0 50 EFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@](C)(CC(C)C)C(N)=O)c1 110552818 MZDYUZKTUOBOIM-YVEFUNNKSA-N 340.851 2.822 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nc(-c3ccoc3)no2)c1 225729559 CDSKYQNJQBQRQU-GOEBONIOSA-N 341.367 2.646 0 50 EFAA OC1(c2ccccc2)CCN(CC2CCC3(CC2)OCCO3)CC1 190340073 FIXYSHZPBUMGLH-UHFFFAOYSA-N 331.456 2.903 0 50 EFAA CCn1cc([C@H]2CN(Cc3nc(C(F)(F)F)cs3)CCO2)cn1 190831564 HJONZMUZVNLPMI-LLVKDONJSA-N 346.378 2.952 0 50 EFAA O=C(O)c1coc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 191665897 SMYDGMVOBCFAPX-JSGCOSHPSA-N 335.743 2.891 0 50 EFAA C[C@@H](Oc1ccc(C(=O)N2CC[C@H](C(N)=O)C2)cc1)c1ccccc1 191828924 HHKHQWCNFDVRCR-PBHICJAKSA-N 338.407 2.774 0 50 EFAA O[C@H]1CCCC[C@H]1n1nnnc1Cc1ccc(Br)cc1 193111778 HLFFLLSBRFFTGI-OLZOCXBDSA-N 337.221 2.502 0 50 EFAA C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(O)c1 194939521 LNAXJWRIFIFMJN-CVAIRZPRSA-N 326.440 2.678 0 50 EFAA Cc1ncc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(C)n1 658269084 BOLDSYJXYVWOGH-HNJNHCNJSA-N 329.448 2.645 0 50 EFAA CC(C)[C@H](O)[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 658286600 BFWFDFDTUNEVLB-AABGKKOBSA-N 332.488 2.588 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@H]1CCN(C2CCCCC2)C1 659407935 OGGPSULTSIUDBG-INIZCTEOSA-N 345.443 2.591 0 50 EFAA O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C1CC1 776573696 MPZMMGYICSHITP-MRXNPFEDSA-N 345.420 2.885 0 50 EFAA Cc1n[nH]c(C)c1CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529195960 SOJIKBIDXNXXBI-UZLBHIALSA-N 336.439 2.610 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)Cc1ccc(Cl)cc1Br 237498343 CWPDRHNQBIVZGJ-CABZTGNLSA-N 345.668 2.983 0 50 EFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)Nc2cnn(CC)c2C)C1(C)C 1615751133 UPNOZFCJMMYPLS-SCLBCKFNSA-N 334.464 2.729 0 50 EFAA Cc1ccc2c(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)cnn2c1 1772708074 AQZGTMMBJKWCKK-UHFFFAOYSA-N 325.416 2.936 0 50 EFAA Cc1ccn(CC(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)n1 11879152 MRMRIIFMPUXZIB-CQSZACIVSA-N 334.370 2.573 0 50 EFAA O=C(CCc1cnccn1)N[C@@H]1CCCN(CC2CCCCC2)C1 12028451 VXOPCPCHRBLASV-GOSISDBHSA-N 330.476 2.570 0 50 EFAA COc1ccccc1C1(c2noc([C@@H]3C[C@H]4C[C@@H](N)[C@H]4C3)n2)CC1 1857527934 IQVKLLFXZYORRG-SFDCQRBFSA-N 325.412 2.999 0 50 EFAA CC[C@]12COC(=O)N1CCN(c1ncnc3sc(C)c(C)c13)C2 1857672305 QGIREJKPATTXKI-INIZCTEOSA-N 332.429 2.729 0 50 EFAA CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(C(=O)O)cc2)cc1 408521628 CKCSGLGDLQHZAZ-KRWDZBQOSA-N 326.396 2.938 0 50 EFAA COC(=O)c1ncccc1NC(=O)Cc1ccccc1Br 408514613 HMJAPPMYFOPYPC-UHFFFAOYSA-N 349.184 2.812 0 50 EFAA CC(C)(c1ccc(OCC(=O)O)cc1)c1ccc(OCC(=O)O)cc1 2169678 ZYGPJSLWIIMUMO-UHFFFAOYSA-N 344.363 2.939 0 50 EFAA in-vitro Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1F 328632736 SCFJUVTUPIRCMM-WMZOPIPTSA-N 327.403 2.952 0 50 EFAA CN1CCN(C(=O)Nc2ccn(CC(F)F)n2)Cc2ccccc21 674026704 JNJIOPGPDPHPTM-UHFFFAOYSA-N 335.358 2.632 0 50 EFAA O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(O)c(Cl)c1 357380764 VBKRXWXVCJCOLM-CQSZACIVSA-N 332.743 2.774 0 50 EFAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC(C)(C)C)CC1 20707708 UGRVQXUDVUKHDY-MRXNPFEDSA-N 340.895 2.946 0 50 EFAA Cc1ccc(-n2cc(C(=O)N(C)CC(=O)O)c(C(C)(C)C)n2)cc1 153137513 BUOZHEGNKXXSTD-UHFFFAOYSA-N 329.400 2.635 0 50 EFAA C[C@@]1(C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)CCCOC1 263130969 WADRLSKGNRLWNJ-HXUWFJFHSA-N 345.439 2.983 0 50 EFAA CO[C@H]1CN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@@](C)(C(=O)O)C1 907736288 FTLHZJVVCLXNKB-KZULUSFZSA-N 333.384 2.739 0 50 EFAA Cc1cc(Cn2cc([C@H](O)c3cccc(C(F)(F)F)c3)nn2)no1 849141664 GLCLLZVCUCLJNC-CQSZACIVSA-N 338.289 2.723 0 50 EFAA C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1Cc2ccccc2[C@@H](C)C1 916151193 BSIBZNFXWLWXKP-KBPBESRZSA-N 337.423 2.732 0 50 EFAA Cc1ccc(CC(=O)N[C@@](C)(CO)c2ccc(O)cc2)cc1Cl 824474953 KMVPSZUOWGYAEK-SFHVURJKSA-N 333.815 2.920 0 50 EFAA COc1cccc(N2CCN(C(=O)c3nccc4cccnc34)CC2)c1 929303963 OZHXPDJLWYSGOD-UHFFFAOYSA-N 348.406 2.601 0 50 EFAA C=Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)cc1 840916821 XUAJUELVEMTZLO-UHFFFAOYSA-N 335.347 2.719 0 50 EFAA COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1 1519 LZCBNYVJTNCPDR-UHFFFAOYSA-N 327.431 2.546 0 50 EFAA in-man C[C@H](CN(C(=O)Cc1ccccc1Br)C1CC1)C(=O)O 237604549 IMSIGFKUKZQCRS-SNVBAGLBSA-N 340.217 2.703 0 50 EFAA Cc1cnc(C)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 277283656 ZAGCCHPDKQMSAH-GOSISDBHSA-N 326.444 2.796 0 50 EFAA Cc1ccc(OCc2nc(C(=O)N3CC[C@@H](N)[C@H]3C)cs2)cc1 2325769100 HJSJXYQNIMZBRW-TZMCWYRMSA-N 331.441 2.592 0 50 EFAA Cc1nccnc1[C@H](C)N1CCN(c2nc3cccnc3s2)CC1 2325771661 DAYITZVPYABECW-ZDUSSCGKSA-N 340.456 2.673 0 50 EFAA Cc1cc(=NC(=O)N[C@@H](C)c2nc(-c3cccs3)n[nH]2)cc(C)[nH]1 2325781523 ASGZSEYIJYCPQZ-NSHDSACASA-N 342.428 2.850 0 50 EFAA O=C(CCn1ccc2cccnc21)N1CCCN[C@@H](c2ccccc2)C1 2325783410 XILXTZSHDFESGR-LJQANCHMSA-N 348.450 2.990 0 50 EFAA CC1(C)C[C@@]2(CCN(C(=O)c3cc4scc(C(=O)O)c4[nH]3)C2)CO1 2325788385 BVLLAOOZTRTCOE-QGZVFWFLSA-N 348.424 2.959 0 50 EFAA CN1CCc2[nH]nc(C(=O)N(C)CCc3cccc4ccccc34)c2C1 2325810913 NUKRHIWQUJGDBM-UHFFFAOYSA-N 348.450 2.866 0 50 EFAA CCc1ccc([C@@H]2CNCCN2Cc2cnn(-c3ccccc3)n2)cc1 2325859578 BTQYJKNAQDVUSX-NRFANRHFSA-N 347.466 2.976 0 50 EFAA COc1ccc(C)cc1Cn1c(S(C)(=O)=O)nc2ccccc21 203321 ZAAUZYXIFWUEBV-UHFFFAOYSA-N 330.409 2.805 0 50 EFAA CC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 342213 XRZUIUGUPNONAI-UHFFFAOYSA-N 327.409 2.701 0 50 EFAA COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1cccnc1 619408 BKAFKBBTBAYYQE-UHFFFAOYSA-N 340.832 2.839 0 50 EFAA COc1ccc(CCNC(=O)Nc2ccc3c(c2)OCO3)cc1OC 609676 YHWAKHUTOZXYDV-UHFFFAOYSA-N 344.367 2.797 0 50 EFAA c1ccc(-n2nnnc2SCc2cccc3nsnc23)cc1 837111 JPQJCWMOPGYRDR-UHFFFAOYSA-N 326.410 2.959 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1 2713231 GFXVANFYCAVMDR-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1 4865906 VUKCLIRADIGSFH-UHFFFAOYSA-N 347.440 2.673 0 50 EFAA Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)NCc3ccc(F)cc3)C2)c1 247147972 LIVQPXVMOCFQLD-CRAIPNDOSA-N 344.434 2.672 0 50 EFAA C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccccc2F)CC1 55565655 VHMAUSBZQDRJNB-HNNXBMFYSA-N 333.451 2.785 0 50 EFAA COc1ccc(CN2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1 28403862 CFFFTVWZCPQJEM-CQSZACIVSA-N 342.370 2.822 0 50 EFAA COC(=O)[C@H]1C[C@@H](O)CCN1C/C=C/C=C/c1ccc(Cl)cc1 65385252 LHAUUSNSFYRLLX-PEBBZSNMSA-N 335.831 2.908 0 50 EFAA CC(C)[C@@H](CNC(=O)N1CCOC2(CCCC2)C1)c1ccnn1C 252497092 PYQBXSTYTXSWMB-OAHLLOKOSA-N 334.464 2.514 0 50 EFAA CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](N2CCCC2)C1 354395532 LHTHIPZQFHLEHW-DOTOQJQBSA-N 343.471 2.776 0 50 EFAA O=C(COC[C@@H]1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1 20995664 UAPSRXLBVMDITB-HNNXBMFYSA-N 347.459 2.538 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 230157183 GTELLTWCARMFGD-FZKCQIBNSA-N 336.432 2.786 0 50 EFAA O=C(c1ccccc1F)N1CCCN(CCc2ccccn2)CC1 126087640 FHCREOPNPRQTEV-UHFFFAOYSA-N 327.403 2.611 0 50 EFAA COc1cc2c(N3CCC[C@@H]3[C@@H]3COCC[C@H]3O)ccnc2cc1F 359299520 LUWBEWMFBHIAOG-FDQGKXFDSA-N 346.402 2.749 0 50 EFAA c1ccc(C[C@H](c2ccccc2)N2CCO[C@@H](Cn3cncn3)C2)cc1 257365763 KYEFMVNUCJGGDS-NHCUHLMSSA-N 348.450 2.963 0 50 EFAA COc1ccc2c(ccn2CCC(=O)Nc2ccc(C(N)=O)cc2)c1 36356847 NXUXXZCZIIXOCO-UHFFFAOYSA-N 337.379 2.778 0 50 EFAA c1ccc2[nH]c(CN3CCc4ncnc(NC5CC5)c4CC3)nc2c1 72411640 YAPMISORYLJLPZ-UHFFFAOYSA-N 334.427 2.528 0 50 EFAA CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 368385736 QMELBAOWUQSQMM-VXGBXAGGSA-N 330.519 2.886 0 50 EFAA O=C(c1[nH]nnc1-c1ccccc1)N1CC[C@H](O)c2ccccc2C1 373779295 XSMJUMXWZIOPDW-INIZCTEOSA-N 334.379 2.551 0 50 EFAA C[C@H]1Oc2c(cccc2C(=O)N2CCC=C(c3ccco3)C2)NC1=O 376029644 PCIPWYYEQATRFV-GFCCVEGCSA-N 338.363 2.929 0 50 EFAA CN(C)c1ccc(-n2ccnc2SC[C@@H](O)C(F)(F)F)cc1 158510166 DBWABAPHCHBKRN-GFCCVEGCSA-N 331.363 2.954 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@H]1c1ccc(Cl)cc1 262868437 IPYKAWHMILYQJE-LYYZXLFJSA-N 349.814 2.534 0 50 EFAA CN1CCN(C(=O)Cn2cc3ccccc3n2)C[C@H]1c1ccccc1 215429064 XNKOZGRLABBMGI-IBGZPJMESA-N 334.423 2.552 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 237968045 RFLMBOUXBLMIHI-LBPRGKRZSA-N 329.352 2.510 0 50 EFAA O=S(=O)(C1CC1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 77358298 DBFNNADXNQTVMB-OKZBNKHCSA-N 335.469 2.631 0 50 EFAA COCCc1noc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)n1 72150874 JWUPGDUJSOXTNN-CQSZACIVSA-N 345.378 2.611 0 50 EFAA O=C(NCc1cc(C2CC2)on1)C1CCN(Cc2ccco2)CC1 223721120 NNAJNDZZEJAXST-UHFFFAOYSA-N 329.400 2.673 0 50 EFAA C[C@H]1CCc2sc(C(=O)N(C)C3CCS(=O)(=O)CC3)cc2C1 80860069 KBPSCQWOCVYPKZ-NSHDSACASA-N 341.498 2.522 0 50 EFAA O=C1NCC/C1=C\c1ccccc1N1CCN(Cc2ccccc2)CC1 44126968 XCERVDUGRFHBDO-CAPFRKAQSA-N 347.462 2.912 0 50 EFAA CCc1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(CCOC)c2n1 20605656 XSLZLBGYFZOBAR-UHFFFAOYSA-N 333.335 2.682 0 50 EFAA Cc1nccn1CCCCN1CCN(c2nc3ccccc3o2)CC1 179270765 RERAERNJNQVSMC-UHFFFAOYSA-N 339.443 2.935 0 50 EFAA CC1(C)CN(C(=O)c2csc(Cc3cccc(F)c3)n2)CCN1 182552799 QWDYAUFZISLWFV-UHFFFAOYSA-N 333.432 2.697 0 50 EFAA O=C(Nc1ccc2[nH]nnc2c1)N1CCCC[C@H]1CCn1ccnc1 96166719 WVNKKUJPMCRUKT-AWEZNQCLSA-N 339.403 2.631 0 50 EFAA O=C(Nc1cccnc1Cl)N1CCCN(C(=O)c2ccco2)CC1 95525232 HWXSCQJBSKDMBT-UHFFFAOYSA-N 348.790 2.708 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)CCc2cccc(Cl)c2)C1 91364417 OHSKTAQWKLITJA-SFHVURJKSA-N 339.863 2.910 0 50 EFAA Cc1noc(CN2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n1 95520507 UXTGVPQPKOKEPB-RBUKOAKNSA-N 340.471 2.907 0 50 EFAA C[C@@H](Cc1ccsc1)NC(=O)c1coc(CN2CCOCC2)c1 97773153 FZDPAWCWYQTDKX-ZDUSSCGKSA-N 334.441 2.534 0 50 EFAA COCc1noc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1 182356147 GVXZMLDCPYAPLM-ZBFHGGJFSA-N 331.416 2.795 0 50 EFAA Cc1ccc2[nH]c(CCC(=O)NC3(C(=O)O)CCCC3)nc2c1C 244884271 YIRVENICFLMQLK-UHFFFAOYSA-N 329.400 2.626 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)N2CCC(Cc3cccnc3)CC2)[nH]1 534581952 BYPSIWDLYFQVIG-CQSZACIVSA-N 327.432 2.838 0 50 EFAA CCSCC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1 299790182 AUBLZKMTQHAZQU-UHFFFAOYSA-N 342.468 2.545 0 50 EFAA COc1ccnc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 824835776 SQVRTBWALDMRPR-CYBMUJFWSA-N 331.441 2.546 0 50 EFAA CC(C)c1nnsc1C(=O)NCc1csc(-c2cnccn2)n1 828234742 VJEDRBDJQDHTGH-UHFFFAOYSA-N 346.441 2.505 0 50 EFAA CC(C)c1ncc(Cl)c(C(=O)NC2CCC(C(=O)O)CC2)n1 268922713 CKKBLLZBABHHCO-UHFFFAOYSA-N 325.796 2.627 0 50 EFAA O=C(O)c1nnn(C2CCN(C[C@H]3CC=CCC3)CC2)c1C(F)F 864361874 TWVNNWILXGWRGH-NSHDSACASA-N 340.374 2.907 0 50 EFAA CCNC(=O)c1cc(NC(=O)C2SCCS2)nc2ccccc12 271213078 YTTIIOMZVSHVNR-UHFFFAOYSA-N 347.465 2.729 0 50 EFAA O=C(N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@H]21)c1cccc2ccccc12 1875330181 RHAVYKAUGGPCCP-ZYSHUDEJSA-N 344.418 2.885 0 50 EFAA CC[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N(C)CC 952962574 CKHSEZUSFYJDTA-GOSISDBHSA-N 335.467 2.637 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 952974328 ZCLFBZKLOCGDDR-INIZCTEOSA-N 331.460 2.884 0 50 EFAA CN(CC(=O)NCc1csc2c1CCCC2)Cc1cccnc1 952990424 UGSSBAMVRFTVAV-UHFFFAOYSA-N 329.469 2.770 0 50 EFAA COCc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(c2nc(C)no2)C1 888098239 HZJXZPLAXZRMEJ-KXBFYZLASA-N 341.411 2.718 0 50 EFAA Cn1nnc2c1C[C@@H](C(=O)Nc1cccc(Oc3ccccc3)n1)CC2 889470265 UPZNQBCQFZUDGU-ZDUSSCGKSA-N 349.394 2.746 0 50 EFAA Cc1ccc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)o1 890632130 RAWATRSKZXDOEM-OAHLLOKOSA-N 338.201 2.988 0 50 EFAA Cc1cc2nc(-c3ccccc3)cc(N3CCc4n[nH]cc4C3)n2n1 72453748 QLGFKAKXTQOJOM-UHFFFAOYSA-N 330.395 2.991 0 50 EFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc[nH]c1)CC2 275506256 BIGDYISOPDXBJC-CQSZACIVSA-N 330.457 2.598 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2ccccc2n1C 275659898 UXJXGPKKQLZBBL-IFXJQAMLSA-N 339.443 2.657 0 50 EFAA CC(C)C(=O)NCCCNC(=O)Nc1cccc(-n2cccc2)c1 170590892 CAEHMLVSSWRCTK-UHFFFAOYSA-N 328.416 2.761 0 50 EFAA COc1cccc(OC)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 281201898 AXMOEPGMEWPISB-RRFJBIMHSA-N 333.428 2.860 0 50 EFAA CCc1cnc(CCNC(=O)N2CCC([C@H]3CCCO3)CC2)s1 187586291 GGGQRCLDNXRILD-OAHLLOKOSA-N 337.489 2.849 0 50 EFAA CN1C(=O)CC[C@@H](C(=O)NCC(F)(F)C(F)F)[C@@H]1c1ccccc1 192024372 AZIBHLSUPPIMAC-YPMHNXCESA-N 346.324 2.613 0 50 EFAA C[C@H](NCCNC(=O)c1ccco1)c1ccc(Br)o1 192629112 JJDXVGINUPOHGI-VIFPVBQESA-N 327.178 2.716 0 50 EFAA C[C@@H]1CN(CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 192761959 IUPQPMYXKPLPMG-CVEARBPZSA-N 349.544 2.922 0 50 EFAA Cc1cc([C@H](C)NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c(C)s1 192894709 WMZMNPKCWJSJLR-MKPLZMMCSA-N 348.390 2.999 0 50 EFAA CC(C)(C)NS(=O)(=O)c1ccccc1CNC[C@@H]1CCC=CO1 194289439 PBHSBTXDHOROMG-HNNXBMFYSA-N 338.473 2.546 0 50 EFAA Cc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)ccc1F 194878509 OCJGYPGJKVORPU-UHFFFAOYSA-N 327.381 2.907 0 50 EFAA C[C@H]1OCCN(Cc2noc3c2CCCC3)[C@@H]1c1nc(C2CC2)no1 671544308 GPACBDQRGOSHSX-BZNIZROVSA-N 344.415 2.776 0 50 EFAA COc1cccc([C@H](O)C(=O)NC[C@@H]2CCc3ccccc3C2)c1 765055726 OOXTUMSVRGWXEX-KUHUBIRLSA-N 325.408 2.650 0 50 EFAA CN(Cc1ccccn1)S(=O)(=O)Cc1ccc(Cl)cc1F 1191862950 AWLSQGYXZTYLQR-UHFFFAOYSA-N 328.796 2.836 0 50 EFAA OC[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccccc1Cl)C2 1775983183 ZDBDDWLWODXURU-MJGOQNOKSA-N 346.858 2.859 0 50 EFAA COc1cccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 5094477 KRDLKYIVIFSXNM-UHFFFAOYSA-N 340.423 2.731 0 50 EFAA COc1cccc(NC(=O)CSc2nc(SC)ns2)c1 5059859 WZGOHBWXSSBSQT-UHFFFAOYSA-N 327.456 2.999 0 50 EFAA Cn1ccnc1SCC(=O)Nc1cccc(Br)c1 5359612 NFMHZNRKGJEIKS-UHFFFAOYSA-N 326.219 2.913 0 50 EFAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c1 11754202 PQVUDMYXCPQPER-MRXNPFEDSA-N 327.428 2.832 0 50 EFAA O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@H](Cc2ccccc2)C1 11816707 IVQONSHWIDKGIA-HXUWFJFHSA-N 347.418 2.956 0 50 EFAA CC(C)CCC(=O)N1CCOc2ccc([C@](C)(O)CN(C)C)cc2C1 12201803 MIYGESWTSZEVIS-HXUWFJFHSA-N 348.487 2.613 0 50 EFAA C[C@H]1CN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)CCN1C 12439710 RJSOULYMZJIAEW-HNNXBMFYSA-N 349.438 2.863 0 50 EFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCC1)C2 14747139 DBYGUTHASKOXLM-HNNXBMFYSA-N 332.492 2.630 0 50 EFAA Cc1cc(C(=O)CSc2nccc(=O)[nH]2)c(C)n1Cc1ccco1 17841442 AZKBNWMUDGWELX-UHFFFAOYSA-N 343.408 2.805 0 50 EFAA CN1[C@H](CC(=O)c2ccccc2)C[C@@H](O)[C@@H]1CC(=O)c1ccccc1 169615852 CHZLLIURHLNVQA-LVCYWYKZSA-N 337.419 2.966 0 50 EFAA Cc1ccc(CC(=O)NC2CCN(Cc3c(C)noc3C)CC2)cc1 169751646 BYQBIMNCYGPQHW-UHFFFAOYSA-N 341.455 2.923 0 50 EFAA CCc1cccc(OC[C@@H](O)CNCC[C@@H](O)c2ccccc2)c1 843090056 XOKPTUSTLLSQMX-AZUAARDMSA-N 329.440 2.702 0 50 EFAA CC(C)c1ncsc1C(=O)NCCNC(=O)c1ccc(F)cc1 408519401 UTEPHZPLIYJIIN-UHFFFAOYSA-N 335.404 2.565 0 50 EFAA C[C@H]1CCc2sc(C(=O)N[C@H](CCO)C3CCOCC3)cc2C1 332321662 OMBUXNUTMLUJOI-SWLSCSKDSA-N 337.485 2.780 0 50 EFAA C[C@H]1Cc2ccccc2CN1C(=O)c1cccc(OCC(=O)O)c1 450531493 ILNXHZCFEFFVHI-ZDUSSCGKSA-N 325.364 2.737 0 50 EFAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@H](Cn2ccnn2)C1 676943015 AVUBYQGMLWLOLO-LBPRGKRZSA-N 343.818 2.965 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1ncncc1Br 253396131 KRIPVCXXINCEQH-CYZMBNFOSA-N 326.238 2.759 0 50 EFAA CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc(Cl)c1)CC2 362656666 TYUJNECFEJVDHD-CYBMUJFWSA-N 336.798 2.939 0 50 EFAA COc1cccc2c1OC[C@H](NC(=O)[C@H](O)c1ccccc1Cl)C2 163146011 PGHTWDWKVKAQGA-MLGOLLRUSA-N 347.798 2.502 0 50 EFAA O=C(O)[C@@H](NC[C@H]1CCCOC1)c1ccccc1Br 905399833 HDEMNHCCKWJOCM-MFKMUULPSA-N 328.206 2.591 0 50 EFAA CCc1onc(C)c1CN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O 925464685 SZSXAUGGBMKKFA-HNNXBMFYSA-N 327.384 2.551 0 50 EFAA Cc1ccc(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)c(C)n1 934502200 XSAXIXSTIOUZLR-FQEVSTJZSA-N 337.423 2.728 0 50 EFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cnn(C2CCC2)c1 934896126 BVPPDHYWVHIQAU-OAHLLOKOSA-N 327.384 2.568 0 50 EFAA O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cnn2c1OCCC2 1121246573 VKZUJDBQHBRMEW-GOSISDBHSA-N 348.406 2.774 0 50 EFAA C[C@H](CN(C(=O)c1sccc1Br)C1CC1)C(=O)O 237377028 WIVRSBLKRZYYKC-SSDOTTSWSA-N 332.219 2.836 0 50 EFAA Clc1cc2c(c(Cc3noc(CCc4ncc[nH]4)n3)c1)OCC2 2325761986 CHGHRYMLPNPCOH-UHFFFAOYSA-N 330.775 2.757 0 50 EFAA Cc1cc(C(=O)O)cc(S(=O)(=O)N(Cc2ccoc2)C2CC2)c1 2325765156 BSJDPGUDFFHOTA-UHFFFAOYSA-N 335.381 2.640 0 50 EFAA Cc1ccc(NS(C)(=O)=O)cc1-c1cccc2c1OCC[C@@H]2N 2325773377 QXSQDQLWOFXCHR-INIZCTEOSA-N 332.425 2.816 0 50 EFAA CCN(CC(C)(C)CN)C(=O)c1ccn(-c2ccc(F)cc2C)n1 2325774888 BYBGGFFPZGVXQQ-UHFFFAOYSA-N 332.423 2.767 0 50 EFAA N[C@@H]1CN(Cc2ccccc2OCc2cccnc2)CC(F)(F)C1 2325799994 DZWIRCNYMDALPS-INIZCTEOSA-N 333.382 2.829 0 50 EFAA O=S(=O)(c1cccc(-c2cn3ccccc3n2)c1)N1CCCC1 352201 HTWPPXLTCSLWKC-UHFFFAOYSA-N 327.409 2.786 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1 365836 NCBNKPXGPUILPZ-INIZCTEOSA-N 346.180 2.862 0 50 EFAA O=C(O)c1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)cc1 611293 PZIUZRKVDVKTRH-UHFFFAOYSA-N 330.365 2.600 0 50 EFAA O=C(Cc1ccccc1)Nc1ccc2c3c(cccc13)C(=O)NC2=O 613967 QWXWJYQYBCMNPB-UHFFFAOYSA-N 330.343 2.905 0 50 EFAA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1 2474402 VIZUXHWYDJXQLK-FZMZJTMJSA-N 330.409 2.898 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(Cl)cc2C)CC[C@@H]1O 2356153560 MCGAKWDVEIBAJK-WMLDXEAASA-N 339.819 2.726 0 50 EFAA COC(=O)[C@@]12COC[C@@H]1CN(c1ccnc3c(C)cc(Cl)cc13)C2 2356167856 FXMQSEXKRYAMFL-SGTLLEGYSA-N 346.814 2.822 0 50 EFAA CCC(=O)c1ccc(OCC(=O)NCc2cnc3ccccn23)cc1 55228572 SJVCXMBGQBPMSV-UHFFFAOYSA-N 337.379 2.622 0 50 EFAA CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)O 9137913 WDHILXRWGHJHIY-DZGCQCFKSA-N 347.415 2.679 0 50 EFAA COc1cc(C(=O)NC2Cc3ccccc3C2)cc(OC)c1OC 9483058 HOTKHHMQNHUDKS-UHFFFAOYSA-N 327.380 2.610 0 50 EFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCCc1c(C)n[nH]c1C 55384985 CDNAGIQXLQJDKC-UHFFFAOYSA-N 348.834 2.676 0 50 EFAA C[C@@H](O)C1CCN(C(=O)CCC(=O)NC2CCCCCCC2)CC1 55133810 KZDSCIJMIPGVFH-OAHLLOKOSA-N 338.492 2.615 0 50 EFAA CC(C)c1nnsc1CNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 65394231 GTYZDCZNZKNEIV-NSHDSACASA-N 348.403 2.543 0 50 EFAA CN(CCC(=O)Nc1cccnc1)Cc1cc(-c2cccnc2)no1 65405087 MBMPFVKRKSVLJW-UHFFFAOYSA-N 337.383 2.592 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348262041 HZYCCCDEKLSHLV-BZNIZROVSA-N 343.333 2.789 0 50 EFAA O=C(O)c1ccccc1S(=O)(=O)N1CCC[C@H]1c1cccs1 314467096 MNWULRVXJZZFJY-LBPRGKRZSA-N 337.422 2.972 0 50 EFAA C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 67630420 KFKVDACLFMYYBF-FZMZJTMJSA-N 330.428 2.839 0 50 EFAA CCc1ccc2nc([C@H]3CC(=O)N(CC4CCC4)C3)[nH]c(=O)c2c1 122068074 SMTWEXSXJOPRIH-AWEZNQCLSA-N 325.412 2.602 0 50 EFAA Cc1nc(C)n(C2CN(C(=O)c3cccc(OC4CCCC4)c3)C2)n1 328589784 BWIQCIBBPLKRDT-UHFFFAOYSA-N 340.427 2.913 0 50 EFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)CCN1CCCCC1=O 1506406009 DGDADTJDTABAIY-HNNXBMFYSA-N 340.427 2.834 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cn[nH]c4)C3)C2)c1 11879823 ZDVBPVLQERNGSR-HXUWFJFHSA-N 338.455 2.846 0 50 EFAA COC(=O)Cc1occc1C(=O)N[C@@H]1CCCc2c(O)cccc21 253407749 IZLIQJMLANPZLO-CQSZACIVSA-N 329.352 2.508 0 50 EFAA COc1ccccc1N1CCC(NC(=O)c2ccccc2O)CC1 150250360 MXNNCWBWKAECRS-UHFFFAOYSA-N 326.396 2.800 0 50 EFAA CCOC[C@H]1CCN(C(=O)CN(C)c2nc3ccccc3s2)C1 357539797 FRQRELAOZAOTTA-ZDUSSCGKSA-N 333.457 2.618 0 50 EFAA Cc1nnc(SCCCNC(=O)c2ccn(C(C)C)n2)s1 216237491 VLKCEAGZIIUSJH-UHFFFAOYSA-N 325.463 2.536 0 50 EFAA O=C1CN(C(=O)Nc2ccccc2)CCN1Cc1cccc(F)c1 173911751 IUZLCAHRDDKULQ-UHFFFAOYSA-N 327.359 2.702 0 50 EFAA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(F)c1 154960105 ZGZWCSJOZXXFND-GOSISDBHSA-N 340.398 2.789 0 50 EFAA CCOc1nnc(CN[C@H](c2cccs2)C2(CO)CCC2)s1 452060141 LTHBMGZBFOQEIJ-CYBMUJFWSA-N 339.486 2.992 0 50 EFAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc(Cl)c1F 239667156 BPDQNPHURVHJSH-SMDDNHRTSA-N 327.831 2.961 0 50 EFAA Cc1cc(N2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)CC2)cc(C)n1 77541557 JXCTYFYKOAAZJI-UHFFFAOYSA-N 349.438 2.846 0 50 EFAA C[C@H]1[C@H](OC(=O)c2cccc(OCC(N)=O)c2)C[C@H]2C[C@H]1C2(C)C 242288062 YKUCPKFHCNOGNQ-UIBBOPPKSA-N 331.412 2.778 0 50 EFAA C[C@@H]1CN(C(=O)NCCc2cscn2)C[C@@H](c2ccsc2)O1 159071913 YLFKGIYNAKDCDU-RISCZKNCSA-N 337.470 2.919 0 50 EFAA CCN(Cc1ccccc1C)C(=O)c1ccc(-c2nnn(C)n2)cc1 215626652 GKHVTIPMNAGRGQ-UHFFFAOYSA-N 335.411 2.848 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N1CCC=C(c2ccncc2)C1 285733697 IKBSPCFFMUESNT-UHFFFAOYSA-N 331.416 2.612 0 50 EFAA Cc1c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cnn1C 286368806 SAFRHAICNLZWBP-AWEZNQCLSA-N 329.404 2.746 0 50 EFAA Cc1nn(C)c(C)c1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 263794386 YWJGKCWBNPVGRP-UHFFFAOYSA-N 336.399 2.952 0 50 EFAA C[C@@H](NC(=O)c1ccc(SCCO)cc1)c1nc(C2CC2)no1 222706937 MWCJYFVQIICVRH-SNVBAGLBSA-N 333.413 2.522 0 50 EFAA CSc1ncccc1C(=O)N1CCC(CCn2cccn2)CC1 82134861 ZJCJTFDUKZPMEM-UHFFFAOYSA-N 330.457 2.943 0 50 EFAA O=C(Nc1ccc2c(c1)CCCO2)N1CCCN(CC(F)F)CC1 179765675 DTISSRUUMSCKNA-UHFFFAOYSA-N 339.386 2.816 0 50 EFAA CCN(Cc1ccncc1)c1cc([C@@H]2CCOC2)nc(COC)n1 426668293 KCTSCZDJZBCJFX-OAHLLOKOSA-N 328.416 2.548 0 50 EFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 239038810 DYPXOYVSDXEMJY-BSXFFOKHSA-N 347.798 2.580 0 50 EFAA Cc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)c(C)c1C 97212995 SQECFFDZWVCCPC-ZDUSSCGKSA-N 339.317 2.729 0 50 EFAA Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCOc2ccccc2C1 97631924 LTLRUDBXOXTBIY-MRXNPFEDSA-N 327.428 2.637 0 50 EFAA CC(C)Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)n(C)n1 91807192 BMXKTXLIILRERF-GOSISDBHSA-N 346.450 2.790 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 91950855 MTQPPMADNMFIAQ-ZDUSSCGKSA-N 345.418 2.912 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cccc(N)n2)cc1 426596476 JNHYDTJXBFOMJR-MRXNPFEDSA-N 325.412 2.972 0 50 EFAA c1cncc(-c2ccnc(NCCc3nc(-c4cccnc4)no3)n2)c1 96139917 DWWJYJNMMGIWCK-UHFFFAOYSA-N 345.366 2.638 0 50 EFAA CN(CCCN1CCCCCC1)C(=O)c1c[nH]c(=O)c2ccccc12 97785348 OBCVQDYHRZNFDN-UHFFFAOYSA-N 341.455 2.866 0 50 EFAA Cc1ccc(N2CCC(c3nccn3Cc3ccccn3)CC2)nn1 91643726 BPLFPALMNKLPAJ-UHFFFAOYSA-N 334.427 2.809 0 50 EFAA CN1CCC[C@@H](CCC(=O)NCCCn2ncc3ccccc32)C1 95374104 AZBCVBCRPYUXIN-INIZCTEOSA-N 328.460 2.665 0 50 EFAA CC1(C)C[C@@H](O)CCN(Cc2nc(O)c3cc(Cl)ccc3n2)C1 296177729 UIMBBQFZQDRJCT-LBPRGKRZSA-N 335.835 2.972 0 50 EFAA COCCN1CC2(CCC1=O)CCN(Cc1ccc(C)cc1)CC2 91586828 OMQZJSNUFVOZOK-UHFFFAOYSA-N 330.472 2.846 0 50 EFAA CN(C)CCN1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 242324477 ZBQSNGYVBJATPO-ROUUACIJSA-N 349.906 2.539 0 50 EFAA O[C@H]1C[C@@H](c2cc(N3CC(Oc4cccc(Cl)c4)C3)ncn2)C1 244723844 MIKMHTDOAVWUBP-BJHJDKERSA-N 331.803 2.636 0 50 EFAA C[C@H](C(=O)Nc1nncs1)N(C)Cc1ccc2ncccc2c1 244817210 SWEMNZYTBDORKW-LLVKDONJSA-N 327.413 2.545 0 50 EFAA O=C(Nc1ccncc1F)N1CCn2c(nnc2-c2ccccc2)C1 184181597 WGIFHUOIYSWCRH-UHFFFAOYSA-N 338.346 2.527 0 50 EFAA CCOc1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)O 299744073 QQPXRXDONIRMJR-CQSZACIVSA-N 335.400 2.710 0 50 EFAA COc1ccc(C2(C(=O)N3CC(N4CCCC[C@H]4C)C3)CC2)cc1 252507734 WTFQITVOUSSLFB-OAHLLOKOSA-N 328.456 2.812 0 50 EFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc3c(c1)CC(C)(C)O3)CC2 299796388 MQHBEUIRFLJXGJ-XKGZKEIXSA-N 331.456 2.904 0 50 EFAA CN(Cc1nncn1C)C(=O)C[C@@H](Cc1ccccc1)c1ccco1 827887544 LDQBJZBAIMVGDV-MRXNPFEDSA-N 338.411 2.783 0 50 EFAA Nc1ncc(C(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)s1 827590640 RMXATYXRORZRDY-HNNXBMFYSA-N 344.484 2.900 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)NCCc2noc(C3CCC3)n2)on1 584889454 UZCHGBBZEIQCEB-ZDUSSCGKSA-N 345.403 2.723 0 50 EFAA CC(C)(C)[C@@H](C(=O)O)C(=O)Nc1cnc(Cc2ccc(F)cc2)nc1 1875267356 DAGTXCVBPCWESA-OAHLLOKOSA-N 345.374 2.892 0 50 EFAA COc1cc2c(c(OC)c1OC)CN(C(=O)c1ccc(C)[nH]1)CC2 1875320417 CGLWCOFKRSAYGE-UHFFFAOYSA-N 330.384 2.547 0 50 EFAA CCN(CCN1CCOCC1)C(=O)[C@@]1(c2cccs2)CC1(C)C 952987481 LDDWFRZYNJNHAV-SFHVURJKSA-N 336.501 2.597 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)S(=O)(=O)c1cccs1 952965897 FKSCGBHKGQFLJK-UHFFFAOYSA-N 335.410 2.619 0 50 EFAA O=C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)[C@@H]2CCCN12 888171993 CGTFDEVCVBPWEQ-MRXNPFEDSA-N 341.436 2.528 0 50 EFAA Cc1cc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cnc1C 893819575 YEDMDVDBNSWAMW-KBPBESRZSA-N 340.427 2.959 0 50 EFAA Cc1ccc(CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)o1 888913204 ALCQUPMPEGDVOK-QGZVFWFLSA-N 347.436 2.519 0 50 EFAA CCc1ncc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2F)s1 170066704 XPWTYKRESBIMKW-LLVKDONJSA-N 340.351 2.930 0 50 EFAA COc1ccc(Br)c(NC(=O)Nc2ccn(C)n2)c1 170599651 LLQLHPOUYFXIAI-UHFFFAOYSA-N 325.166 2.835 0 50 EFAA CCn1nccc1CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 170607479 MMYHVTGRYGNCHK-UHFFFAOYSA-N 344.434 2.935 0 50 EFAA COc1ccc(C)nc1NC(=O)NC1CCN(c2nccs2)CC1 281987572 PGLSWZGOAULQNY-UHFFFAOYSA-N 347.444 2.646 0 50 EFAA CC[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1F 172457399 QVPNCKQBJCRAEV-AWEZNQCLSA-N 330.338 2.977 0 50 EFAA O=C(NC1CCN(C(=O)N[C@@H]2CC=CCC2)CC1)c1ccccc1 172485151 RYIXXBZBNHLVGN-MRXNPFEDSA-N 327.428 2.699 0 50 EFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ncc[nH]2)C1 404386676 XUURWOFICWWDPE-JTQLQIEISA-N 345.346 2.607 0 50 EFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@H]3C)cs2)cc1 189091485 QCDLOCDHLBRBSD-GFCCVEGCSA-N 331.441 2.529 0 50 EFAA CC[C@]1(C)CN(C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)CCO1 190822402 GRASBDFWZKUIFY-GPMSIDNRSA-N 337.508 2.850 0 50 EFAA CC[C@@H](C(=O)O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 191426085 ZZSCWVDIAYTHMF-AWEZNQCLSA-N 330.350 2.686 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1C[C@H]3CC[C@H]1[C@@H](C(=O)O)C3)CCC2 659218902 FIZDCRWXWMYSJN-FRJURHEUSA-N 343.423 2.827 0 50 EFAA CC(C)Cc1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)n[nH]1 1529118305 JUURZNKDLHDRGO-RTBURBONSA-N 329.444 2.543 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)CCc3cccc(Cl)c3)C[C@H]2O)on1 1529125704 XLODVRHWRBCDFX-RHSMWYFYSA-N 348.830 2.631 0 50 EFAA COc1ccc2ccccc2c1CN1CCC(CO)(CN(C)C)CC1 1772702556 WQRWNMIRYUZYMM-UHFFFAOYSA-N 342.483 2.985 0 50 EFAA Cc1[nH]nc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)c1Cl 1775978751 IBNXFWJJSVSNLM-UHFFFAOYSA-N 328.763 2.593 0 50 EFAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 5413557 BEEXNEQHYPBSDK-UHFFFAOYSA-N 337.423 2.635 0 50 EFAA CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccccc2)no1)C(=O)OC 12191110 TWGUGQWTPFYFKL-LRDDRELGSA-N 330.384 2.583 0 50 EFAA COC[C@H]1CCCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 12301117 ZXAAFAZUSCUCNE-INIZCTEOSA-N 334.464 2.747 0 50 EFAA Cc1ccc2nc3c(cc(C(=O)N4CCCC[C@H]4C)n3C)c(=O)n2c1 12421575 WSZJCUXGZTXDAL-CYBMUJFWSA-N 338.411 2.509 0 50 EFAA O=C(/C=C1\SC(=O)N(CN2CCCCC2)C1=O)Nc1ccccc1 13658591 SFDCBSANOCZLET-KAMYIIQDSA-N 345.424 2.648 0 50 EFAA CCn1ccnc1CN[C@H]1CCCN(Cc2cccc(OC)c2)C1 19842245 VYAUOXHZZGJHIT-KRWDZBQOSA-N 328.460 2.666 0 50 EFAA CN1CCN(CCn2ccnc2-c2ccc3cccc(F)c3n2)C1=O 1857670735 YDMCBKSVDSQOTJ-UHFFFAOYSA-N 339.374 2.605 0 50 EFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3CCc3cnc[nH]3)cc2c1 1857690821 NDBWVGFSKPQPMV-UHFFFAOYSA-N 349.394 2.756 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(c1ncccc1C(=O)O)CC2 1875247655 NRYJMQZTNORGFU-UHFFFAOYSA-N 348.406 2.786 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccn2C2CCCC2)n1 408054482 MCDKVHWITSESSM-WBMJQRKESA-N 344.415 2.897 0 50 EFAA C[C@@H](c1nnnn1C)N1CCC[C@@H](COc2ccccc2Cl)C1 230245004 YTCUZIZDTLXTSQ-QWHCGFSZSA-N 335.839 2.716 0 50 EFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 237388000 WSQYWXBIZMXBKY-DGCLKSJQSA-N 330.350 2.856 0 50 EFAA Cc1nc(-c2cccc(C(=O)N3CCCC[C@@H]3CCC(=O)O)c2)no1 237809500 KNDPKKJRSLRZKV-OAHLLOKOSA-N 343.383 2.905 0 50 EFAA O=C(NCCOc1cccc(F)c1)c1ccncc1Br 130762559 JRYDDPMTBVYIRR-UHFFFAOYSA-N 339.164 2.792 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 345626975 SCWOOACQTUNPMI-DOMZBBRYSA-N 347.317 2.642 0 50 EFAA O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1CC12CCNCC2 136950071 AOCOWSHNMLFPLF-AWEZNQCLSA-N 349.272 2.944 0 50 EFAA O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(Cl)cs2)CC1 390834052 QZKOONJAAYWTMP-UHFFFAOYSA-N 348.855 2.929 0 50 EFAA O=S(=O)(Nc1cccc2cc[nH]c12)c1ccnn1CC1CCC1 901916851 KVGRYDZTCUEUKW-UHFFFAOYSA-N 330.413 2.965 0 50 EFAA O=C(c1ccnc2cc(Cl)ccc12)N1CCC[C@H](n2ccnn2)C1 823245728 TYCDYAGCKSCVIH-ZDUSSCGKSA-N 341.802 2.957 0 50 EFAA Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccccc1-n1cccc1)C2 929912020 ABCFGCSIMHHRNR-MRXNPFEDSA-N 332.407 2.863 0 50 EFAA Cc1cc(NC(=O)N2CC[C@H](CN(C)CC3CC3)C2)cn2ccnc12 931554044 KIMGWRCANPBUFS-MRXNPFEDSA-N 341.459 2.838 0 50 EFAA CCc1nc([C@H]2CCCCN2C(=O)c2cc(C)c(CC)nc2O)no1 933229924 CAZOCRODSLSMAU-CQSZACIVSA-N 344.415 2.971 0 50 EFAA CN(Cc1ccc(C(N)=O)cc1)C1CCN(Cc2ccccc2)CC1 114200217 XGMNQMBBCHFGMQ-UHFFFAOYSA-N 337.467 2.882 0 50 EFAA O=C(O)c1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)o1 238000277 SVKHZUFQIHZEPP-CQSZACIVSA-N 329.352 2.657 0 50 EFAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cc(Cl)ccc1Br 263352724 WAZZXVISETXVCG-WRXNHJIOSA-N 332.581 2.696 0 50 EFAA Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1429991 JSEZDZJYJLAFSW-UHFFFAOYSA-N 334.416 2.645 0 50 EFAA CN(CCc1ccc(F)cc1F)S(=O)(=O)c1ccccc1C=O 2325899547 JTVMYDVGHVEUSH-UHFFFAOYSA-N 339.363 2.641 0 50 EFAA C[C@@H]1CN(c2ccncc2)CCN1C(=O)Nc1cccc2nccnc12 889421511 WNFHOUYTFPRDTI-CQSZACIVSA-N 348.410 2.767 0 50 EFAA COc1cc(-c2ccccc2)ccc1CNC[C@H]1CN(C)CCN1C 110712331 XCRNYSIYSXLKGC-FQEVSTJZSA-N 339.483 2.698 0 50 EFAA COc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 37075 DMJCMROEUXLSAM-UHFFFAOYSA-N 344.436 2.916 0 50 EFAA CCN(CC)CCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21 182192 PMKQDYNOUBEMDB-UHFFFAOYSA-N 340.427 2.740 0 50 EFAA Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1 1075983 VRRUXVDRYAOJMV-UHFFFAOYSA-N 333.398 2.627 0 50 EFAA CCCOc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 1797072 WKCYTCWQSHPQOE-LBPRGKRZSA-N 345.424 2.924 0 50 EFAA O=C(CCS(=O)(=O)Cc1ccccc1)N1CCCc2ccccc21 2879544 CTJNJQSSPLZKJY-UHFFFAOYSA-N 343.448 2.971 0 50 EFAA CCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 4858278 QUTYMHILIFYWQB-CYBMUJFWSA-N 340.379 2.679 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 8752360 QHLGVTNBRTVHBV-GFCCVEGCSA-N 333.388 2.773 0 50 EFAA O=C(Nc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 54902732 XMKXGNVQFCSVLA-GOSISDBHSA-N 338.407 2.833 0 50 EFAA CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)O 9137909 WDHILXRWGHJHIY-ZFWWWQNUSA-N 347.415 2.679 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2nc(S)oc2c1 118878710 NXJWVJXZXQFZKE-LBPRGKRZSA-N 344.396 2.744 0 50 EFAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H]1CCN(c2ccccc2Cl)C1=O 248326531 BYAAMSOURFESRN-KOZAUXTDSA-N 332.831 2.950 0 50 EFAA COCCN(Cc1cc(C)c(OC(C)=O)c(C)c1)C1CCN(C)CC1 55131391 BDYYZEPBZFPPRZ-UHFFFAOYSA-N 348.487 2.771 0 50 EFAA Cc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 20236172 HSHTVJXYVMHYFP-UHFFFAOYSA-N 330.453 2.502 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)NCc1cccc(-c2nnn[nH]2)c1 65428332 VNXJLAUGCLPKQO-UHFFFAOYSA-N 342.428 2.685 0 50 EFAA CCc1ccc(CN(C)c2nc(N)nc3ccc(C(=O)O)cc23)nc1 65468389 WDGSFZFZUBFHKC-UHFFFAOYSA-N 337.383 2.504 0 50 EFAA Cc1cccnc1CN1CCN(C(=O)c2ccc(Cl)cc2O)CC1 72468110 QUGJGPQMVFDSCI-UHFFFAOYSA-N 345.830 2.707 0 50 EFAA O=C(NC1CCC2(CC1)OCCO2)c1ccc2nc(S)oc2c1 118775334 UIXJXHSJJJXESB-UHFFFAOYSA-N 334.397 2.532 0 50 EFAA COCC1(C(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)CCC1 65454126 GVYMJRJILXTALS-AWEZNQCLSA-N 333.428 2.836 0 50 EFAA CC(C)(O)[C@H]1CCCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67787579 IJCJJNIRJXAHKR-AWEZNQCLSA-N 343.427 2.612 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 229518482 IKDZKFXDNGMKMM-UMVBOHGHSA-N 338.398 2.679 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCC3(CC2)CNC(=O)C3)cn1 65530506 KYQCYSJCVVLXHQ-UHFFFAOYSA-N 336.439 2.554 0 50 EFAA CCc1nn2c(=O)cc(CN3CCC[C@H]4CCCC[C@H]43)nc2s1 230040359 LUTYHOGMQZSNCY-TZMCWYRMSA-N 332.473 2.868 0 50 EFAA CO[C@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1 438887499 QPMIWMFPUAHXDV-PKOBYXMFSA-N 337.423 2.542 0 50 EFAA Cc1cccc(-c2cccc(CNC(=O)[C@H](O)c3cnn(C)c3)c2)c1 253397686 QASGPCOJAMBMBQ-LJQANCHMSA-N 335.407 2.745 0 50 EFAA CC(C)(C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 152591227 SSXLUTZEDGKJAA-QGZVFWFLSA-N 333.476 2.530 0 50 EFAA C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 60932209 RJIWPZXUXSLAOD-NSHDSACASA-N 332.363 2.895 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1CCC[C@@]1(CO)Cc1ccccc1 365107833 AQHBKOOLDVPEKV-NRFANRHFSA-N 349.434 2.702 0 50 EFAA Cc1occc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328635471 UUXIHPPZNFSJJA-HNNXBMFYSA-N 341.411 2.877 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)[C@H](C)c3cc4ccccc4o3)CCO2)o1 328608681 AYIBCYLBAQFCMS-BDJLRTHQSA-N 341.367 2.828 0 50 EFAA Cn1nccc1C1=CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 367633614 ISNSDYHKUJSBNJ-GOSISDBHSA-N 337.423 2.854 0 50 EFAA CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc2ncccc12 332223306 NDHWVFINNZDWPB-CQSZACIVSA-N 334.441 2.670 0 50 EFAA C[C@H](NC(=O)c1ccc(C(=O)O)s1)c1cn(-c2ccccc2)nn1 432129497 LOYLBAFPBRHYLO-JTQLQIEISA-N 342.380 2.518 0 50 EFAA O=C(c1cccc[n+]1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 123951177 JTFZFRIDYHCNBV-PKOBYXMFSA-N 340.423 2.829 0 50 EFAA Cc1cc(O)ncc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 368299346 NTSGZIOHPPYGML-GFCCVEGCSA-N 341.415 2.562 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n1 124208908 IAIJFJRGOCBNGB-SFYZADRCSA-N 338.335 2.539 0 50 EFAA CCCN(CC)c1ccc(C(=O)N2CC[C@@]3(CCCOC3)C2)cn1 370572774 UUXVKWDMHNNDHK-IBGZPJMESA-N 331.460 2.961 0 50 EFAA COCc1ccsc1C(=O)Nc1cccc(-c2ncn(C)n2)c1 126936957 QERAKIWTIDYYNF-UHFFFAOYSA-N 328.397 2.942 0 50 EFAA O=C(c1csc(O)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 373242291 GSPYBPABWDZAPP-LBPRGKRZSA-N 332.381 2.597 0 50 EFAA O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)c1sccc1Cl 456459413 GFYLMLSOTPQBRL-VIFPVBQESA-N 336.791 2.778 0 50 EFAA CC(C)N(C)C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 374739683 ZIPWEGRDGYGBKA-CQSZACIVSA-N 336.505 2.890 0 50 EFAA COCC1(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)CCC1 375314302 SICJEGATMPQXAO-OAHLLOKOSA-N 325.355 2.681 0 50 EFAA N[C@@H]1CCc2ncc(NC(=O)NC[C@H]3CCCCC3(F)F)cc2C1 333387048 WWWZRRSJZXWMRB-CHWSQXEVSA-N 338.402 2.845 0 50 EFAA Cn1cc(CN2CCC[C@@H](n3ccnn3)C2)c(C2CCCCC2)n1 333420011 IWKLIPVCHOAQQZ-QGZVFWFLSA-N 328.464 2.896 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1nc(-c2cnccn2)no1 13593832 ZUXQHIIRGNAOCX-UHFFFAOYSA-N 338.346 2.779 0 50 EFAA COc1cc(C(=O)N2CC[C@H](N)C[C@@H]2C)ccc1OC1CCCC1 237245827 GGPBCCRQROPFIM-ZFWWWQNUSA-N 332.444 2.968 0 50 EFAA CC(C)[C@@]1(C(=O)O)CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 262799922 AHWDVENZCJFUIH-QFBILLFUSA-N 331.412 2.763 0 50 EFAA CCc1n[nH]cc1C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1 77536151 MPAVFGFOXVIBGM-UHFFFAOYSA-N 342.443 2.722 0 50 EFAA O=C(c1cccc(C(F)(F)F)n1)N1CCO[C@@H](c2ccco2)C1 450074713 MEYWBPNPECTLLC-GFCCVEGCSA-N 326.274 2.907 0 50 EFAA NS(=O)(=O)c1ccc(CCNC2CC(c3ccccc3F)C2)cc1 238088481 PMXXKMIUSDKDDJ-UHFFFAOYSA-N 348.443 2.551 0 50 EFAA O=C(Nc1cc(C(=O)N2CCc3c(F)cccc3C2)ccn1)C1CC1 285898911 YCEMVHMJWBHOLF-UHFFFAOYSA-N 339.370 2.768 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(C(=O)O)cc2)C12CCC2 263372794 YZLYWIUBVFRYLA-JKSUJKDBSA-N 331.412 2.733 0 50 EFAA Cc1c(C(=O)N2CCC(c3ccn[nH]3)CC2)c(O)nc2ccccc12 176806720 IRFSPIKTLFEKAM-UHFFFAOYSA-N 336.395 2.992 0 50 EFAA CC(=O)Nc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1 41149951 WBJNWKGXXKOQNZ-UHFFFAOYSA-N 337.383 2.736 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2cc(O)nc3ccccc23)c2ccccc21 177474264 PJZJTKCGECEDTJ-AWEZNQCLSA-N 334.331 2.769 0 50 EFAA CCc1cnc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)s1 263563625 DLHNURPHTMJCPE-UHFFFAOYSA-N 331.441 2.726 0 50 EFAA O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)N1CCNCC1 426606821 XEWJVCLGSCJRPA-INIZCTEOSA-N 331.391 2.556 0 50 EFAA CCC1(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CCOCC1 290812146 ZBEBUVOARYXFTB-LJQANCHMSA-N 349.446 2.786 0 50 EFAA Cc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccccn3)n2)cnn1C 20617875 XPPKMLUVLBEWBJ-UHFFFAOYSA-N 347.426 2.744 0 50 EFAA Cc1cccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)n1 82087948 UJTLJBDPZVNHDW-CYBMUJFWSA-N 343.814 2.921 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)CN1CCC[C@@H](c2ccnn2C)C1 229219552 XTUKGZNOWMSTGG-LSDHHAIUSA-N 346.500 2.881 0 50 EFAA CCc1nc(C)sc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82120137 BPWXLMFMDRIKRJ-UHFFFAOYSA-N 343.452 2.811 0 50 EFAA CC(C)COc1ccccc1NC(=O)N1CCC2(CC1)C[C@H](O)CO2 97797327 SPIBUWIBEFDTOG-HNNXBMFYSA-N 348.443 2.869 0 50 EFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239284761 BZUCJYMKUDKCIT-LLDVTBCESA-N 347.798 2.580 0 50 EFAA Cc1ccccc1C1(CNC(=O)NO[C@@H]2CCCCO2)CCOCC1 162369550 RXTYEIHDBTYSQU-QGZVFWFLSA-N 348.443 2.801 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)NC[C@H]1CC12CCCCC2 426401516 AIZYOGXSAAFWIR-MRXNPFEDSA-N 334.464 2.549 0 50 EFAA CCC[C@]1(C(=O)O)CCCN(C(=O)CCn2nc(C)c(C)c2C)C1 91270552 XNYHKHZCFKFJJM-SFHVURJKSA-N 335.448 2.692 0 50 EFAA O=C(Cc1cn2ccsc2n1)NCCCSCc1ccco1 97480125 ULMGGYATTFIBJT-UHFFFAOYSA-N 335.454 2.971 0 50 EFAA CC(=O)c1cnc(N2CCC[C@H](OCc3cccnc3)C2)nc1C 91575074 HMWKMJTZDNAIKL-INIZCTEOSA-N 326.400 2.568 0 50 EFAA CO[C@@H]1CCCOC12CCN(c1ncnc3nc(C)cc(C)c13)CC2 95360652 OMOCVFSXZNDZSJ-OAHLLOKOSA-N 342.443 2.806 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)on1 91644574 XCJRVYVCGAOWIC-ZDUSSCGKSA-N 339.399 2.945 0 50 EFAA COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 243956707 CCIWWQPACYFEAQ-PPHDSNJXSA-N 346.814 2.986 0 50 EFAA Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1nnc2n1CCCC2)CC3 243914694 BJOSPZNFQHKHFF-UHFFFAOYSA-N 335.411 2.603 0 50 EFAA Cc1n[nH]c([C@H]2CCCN(Cc3cc(O)c4cccc(F)c4n3)C2)n1 253536448 FXFKKZKEUUCSKZ-LBPRGKRZSA-N 341.390 2.886 0 50 EFAA COCCc1noc(-c2cncnc2N[C@H]2CCc3ccccc32)n1 263619194 XKXBXHVIISSIFG-HNNXBMFYSA-N 337.383 2.815 0 50 EFAA C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)C1 35898259 ZYRSRFHIGIHVNK-NEPJUHHUSA-N 349.500 2.642 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c(C)nsc3C)C2)n1 292955608 YTBKBLBDKNRIDB-CQSZACIVSA-N 333.461 2.521 0 50 EFAA Cc1cc(-c2nc(CC(N)=O)nn2C(C)(C)C)c2ccc(F)cc2n1 826841984 GOMCRSCIEKNXTR-UHFFFAOYSA-N 341.390 2.724 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 269260252 JBAITMZLJRGNIL-CRAIPNDOSA-N 339.439 2.860 0 50 EFAA CC(C)N(C)CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 269937503 QXBLCUZVVPOWMN-LSDHHAIUSA-N 344.377 2.680 0 50 EFAA CC1=C(C(=O)N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)CCC(C)(C)C1 685941267 AAYJVWGRAFSXTC-LIRRHRJNSA-N 345.443 2.631 0 50 EFAA O=C(C[C@H]1OCc2cc(Cl)ccc21)N1CCOC[C@H]1c1cc[nH]n1 1875330114 MODRCSBBOMIBKV-JKSUJKDBSA-N 347.802 2.625 0 50 EFAA CCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c1Cl 952851067 DHFHOWKEQNFIKF-QFYYESIMSA-N 349.822 2.511 0 50 EFAA CCN(Cc1ccc(C)cc1)S(=O)(=O)Cc1ccc2nonc2c1 1875289734 LKSLQCNHHNHDGE-UHFFFAOYSA-N 345.424 2.883 0 50 EFAA O=C(N[C@@H]1CCc2ncccc2C1)c1ccc2c(c1)nc(O)n2C1CC1 1875287530 NCTQUPVQPQSBGP-CQSZACIVSA-N 348.406 2.759 0 50 EFAA O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 1875268757 QMFRHURVVWLNQB-CHWSQXEVSA-N 345.424 2.717 0 50 EFAA O=S(=O)(Nc1cccc(C2CCC2)c1)c1cnc2[nH]cncc1-2 1875280887 FCRJFDFTBGPNPC-UHFFFAOYSA-N 328.397 2.978 0 50 EFAA CC1=C(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)OCCO1 952964184 ODFXGZYTOHIQKG-QGZVFWFLSA-N 330.428 2.690 0 50 EFAA Cn1ncc(CN2CCN(c3nc4ccccc4o3)CC2)c1C1CC1 891954374 BHTCFOFRNRTMAO-UHFFFAOYSA-N 337.427 2.761 0 50 EFAA O=C1CCCN1[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)o2)C1 892466906 CMHHUCZQXMMFFM-CQSZACIVSA-N 346.818 2.981 0 50 EFAA COc1ccc(CC(=O)NCC2(O)C3CC4CC(C3)CC2C4)cc1 1775997047 SEKZRROHBMJXOJ-UHFFFAOYSA-N 329.440 2.541 0 50 EFAA O=S(=O)(Cc1ccno1)N1CCc2c(ccc(Cl)c2Cl)C1 1365640310 GJKCGTCOQCBTGP-UHFFFAOYSA-N 347.223 2.870 0 50 EFAA CC(C)c1noc([C@H](NC(=O)Nc2cccnc2)C2CCOCC2)n1 275505314 KSNDKMYQBKHHNU-CQSZACIVSA-N 345.403 2.877 0 50 EFAA CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2cccnc2)C3)n1 276009176 QBMBLMJXRJYWIF-RDTXWAMCSA-N 326.400 2.782 0 50 EFAA Cc1sc2nc(S[C@H]3CCN(C4CC4)C3=O)nc(N)c2c1C 170019412 OERHNWNHYKREJB-JTQLQIEISA-N 334.470 2.746 0 50 EFAA CCn1cc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1=O 171053241 OGDLFHPEGYHLEX-FUHWJXTLSA-N 341.411 2.910 0 50 EFAA O[C@@H](CN1CCC(OC2CCOCC2)CC1)c1c(F)cccc1F 304323988 SZLQZWNRXFRDAH-KRWDZBQOSA-N 341.398 2.658 0 50 EFAA CCc1nnc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1 280553973 UNNQUXFRWYYGDG-MFKMUULPSA-N 341.333 2.959 0 50 EFAA Cc1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)c(C)o1 408520029 OGOCNQOOTPGCQB-UONOGXRCSA-N 349.431 2.620 0 50 EFAA COC(=O)c1ccnc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 172236922 TVDKJZVCIKSLPD-UHFFFAOYSA-N 330.315 2.609 0 50 EFAA CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 412572517 KPLULDUSOOKKSP-OAHLLOKOSA-N 337.423 2.981 0 50 EFAA CO[C@H](C)CS(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 225676434 KFXKQWHUDDQTDD-GDBMZVCRSA-N 340.489 2.782 0 50 EFAA O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)c1)C1CCCCC1 191574723 JFXPVALKEMTRJF-HZPDHXFCSA-N 344.411 2.542 0 50 EFAA O=C(C[C@@H]1COCCN1C(=O)N1CCc2ccccc21)c1ccco1 193491694 ARLPMVSNVWNGFL-OAHLLOKOSA-N 340.379 2.736 0 50 EFAA COc1ccc2ccccc2c1CNC(=O)NC[C@H]1C[C@@H](N(C)C)C1 654366041 HCBNAGJQCHOWPU-FZNQNYSPSA-N 341.455 2.988 0 50 EFAA C[C@@H](NCc1cccc2c1OCCO2)c1ccccc1-n1ccnn1 796827977 UKERULRUZUBFKO-CQSZACIVSA-N 336.395 2.889 0 50 EFAA COc1cc(OC)nc(NC2CCN(c3cccc(C)c3)CC2)n1 1529173372 VKXLEBHOWNMSSY-UHFFFAOYSA-N 328.416 2.883 0 50 EFAA COc1ccc2nc(CCN(C)c3ccnc(SC)n3)[nH]c2c1 1529153634 SOSJVNXLBWPARQ-UHFFFAOYSA-N 329.429 2.762 0 50 EFAA Cc1cc(N2CCC[C@@](CO)(CN(C)C)C2)nc2cc(F)ccc12 1529099601 CFMVGBFNZWYINI-LJQANCHMSA-N 331.435 2.823 0 50 EFAA CCn1ncc(C(=O)N2CCCN([C@H](C)CC(F)(F)F)CC2)c1C 1800413521 IPMFDVYRQZOFPJ-GFCCVEGCSA-N 346.397 2.700 0 50 EFAA Cc1nc(NC(=O)/C=C/c2ccc(F)cc2)sc1C(=O)N(C)C 375867 QDLCRNNSHOZPFC-RMKNXTFCSA-N 333.388 2.944 0 50 EFAA COc1ccccc1OC[C@@H](C)Nc1nc(C)c(C)cc1C(N)=O 1704299115 OJHJVKWSEHXXJT-GFCCVEGCSA-N 329.400 2.685 0 50 EFAA Cc1ccc(Cl)c(CN2CCC3(CC2)CN(C)C(=O)CO3)c1F 1772804214 JKQZLZAEXROQGU-UHFFFAOYSA-N 340.826 2.611 0 50 EFAA Fc1ccc2nc(C3CCN(CC[C@@H]4COCCO4)CC3)[nH]c2c1 1775978317 MNEXNVBBYIOYAB-OAHLLOKOSA-N 333.407 2.687 0 50 EFAA CCOc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 5036485 IBSJYPQGHDHHAI-UHFFFAOYSA-N 337.383 2.686 0 50 EFAA O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCO2 5938820 BITSXEPWQGAORP-INIZCTEOSA-N 345.420 2.814 0 50 EFAA Cc1ccc(CN(C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)o1 11817987 DWEONMJEUZWJEV-FQEVSTJZSA-N 348.487 2.954 0 50 EFAA O=C(CCc1cn2ccccc2n1)N1CCO[C@@H](Cc2ccccc2)C1 11819283 MMJFJKVREXZYDR-IBGZPJMESA-N 349.434 2.737 0 50 EFAA Cn1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)c2ccccc21 12304321 ONNZNRGLWLILOU-KRWDZBQOSA-N 348.450 2.968 0 50 EFAA O=C(NC[C@@H]1CCCCO1)c1cc(Cn2ccc3ccccc32)[nH]n1 12314868 TXANQLIBEYSFKN-INIZCTEOSA-N 338.411 2.712 0 50 EFAA CC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)N(C)C)C1 14744774 FATFTTKCGXVITM-JKSUJKDBSA-N 336.451 2.887 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1c1cnc[nH]1 1857532321 UAPNJSWNICTCCJ-NJAFHUGGSA-N 338.455 2.636 0 50 EFAA Cc1ccc(-c2nc(-c3cc(C4CC4)n(C)n3)n(CCCO)n2)o1 1857678813 AXRUSVRAWJIVQR-UHFFFAOYSA-N 327.388 2.507 0 50 EFAA COc1ccccc1-n1cc(C(=O)N=c2cc(C(C)(C)C)o[nH]2)cn1 1875244483 SDIXGZWFCCSBDG-UHFFFAOYSA-N 340.383 2.841 0 50 EFAA CC(C)(C(=O)NC[C@@H]1CCCCN1CCO)c1cccc(Cl)c1 331345232 VFCIKUSKLWDBFR-INIZCTEOSA-N 338.879 2.581 0 50 EFAA CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 126288739 YVLQGKVLXYQXFR-DLBZAZTESA-N 329.444 2.784 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1 237987591 NQYOABXGVUTFRB-UHFFFAOYSA-N 344.342 2.603 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCc1nc(C2CCCC2)no1 237982966 NQHCSUWSLXHUEN-CQSZACIVSA-N 349.431 2.906 0 50 EFAA COC(=O)CNc1ccc(CC(=O)N2CCCc3ccccc32)cc1 153915743 KRHJUDJCYJBXPZ-UHFFFAOYSA-N 338.407 2.793 0 50 EFAA CN(Cc1noc([C@@]23CCCC[C@@H]2NCC3)n1)C(=O)c1ccccc1 904613866 BMYJBTKAZPGLEL-HNAYVOBHSA-N 340.427 2.516 0 50 EFAA C[C@@H](C(=O)N1CC(C)(C)c2cccc(C(F)(F)F)c21)S(C)(=O)=O 906111318 IDBAVBPBEKYBET-VIFPVBQESA-N 349.374 2.763 0 50 EFAA O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2ccsc2C(F)F)C1 821385677 NDNPBNWVIOAVJM-MRVPVSSYSA-N 340.355 2.510 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1O)c1cc(F)c(Oc2ccccc2)c(F)c1 827540439 DBIDNJYOQSBKOX-HZPDHXFCSA-N 349.333 2.637 0 50 EFAA COc1ccc2c(c1)C[C@H](NS(=O)(=O)Cc1ccccc1)CC2 1252917984 PHQIQKTVPXYNTP-QGZVFWFLSA-N 331.437 2.672 0 50 EFAA CC(C)S(=O)(=O)CCNc1ncc(C(F)(F)F)cc1Cl 288801233 FZLHLQIAURXNNY-UHFFFAOYSA-N 330.759 2.989 0 50 EFAA CN(C(=O)CN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)C1CC1 363689267 GSLFVFQEIORKDJ-NRFANRHFSA-N 341.499 2.595 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 52051 XEAJWQGCAQKYFK-ZDUSSCGKSA-N 330.334 2.634 0 50 EFAA C[C@H]1Cc2cccc(F)c2N(S(=O)(=O)c2cnn(C)c2Cl)C1 2325772247 GBFZNBNZKWYUHW-VIFPVBQESA-N 343.811 2.600 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1 2325784734 GRSUXOTZPZVRLE-KYJSFNMBSA-N 338.382 2.630 0 50 EFAA Cc1ccc([C@@]2(O)CCN(C(=O)c3cnn4c3CCC[C@@H]4C)C2)cc1 2325792895 TUWCMLOLTWTDJC-MGPUTAFESA-N 339.439 2.823 0 50 EFAA CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 245894234 CTGZFZCIOWEPLI-JCGIZDLHSA-N 343.448 2.589 0 50 EFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(F)cc1 310957 QDGPZUGQXKFVRD-UHFFFAOYSA-N 348.355 2.659 0 50 EFAA O=C(NC(=S)Nc1ccccn1)c1ccccc1Br 452416 CVKAMLCGXVVKFI-UHFFFAOYSA-N 336.214 2.971 0 50 EFAA COC(=O)c1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1059116 MRWLGAZAGZAXAA-GFCCVEGCSA-N 325.320 2.676 0 50 EFAA O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(C(=O)O)c1 2765569 XFQXWICQPYLELC-UHFFFAOYSA-N 327.365 2.992 0 50 EFAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3cnn(C)c3)C2=O)cc1 2356149341 VVCYKTREKHYCCN-FQEVSTJZSA-N 338.455 2.890 0 50 EFAA O=c1c2ccccc2ncn1CCOCCOc1ccccc1F 2862995 ZCAYBTSDIBSHNO-UHFFFAOYSA-N 328.343 2.631 0 50 EFAA O=C(O)c1cc2c(nc1N1CC[C@@H](c3ccccc3)[C@H](O)C1)CCC2 2356159451 AWTQQOAADWZVQB-MAUKXSAKSA-N 338.407 2.623 0 50 EFAA Cc1ccccc1OCC(=O)Nc1ccccc1N1CCN(C)CC1 4385387 JIUBREHWTIAUOF-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1NS(C)(=O)=O 10334441 UGBHVBKYWFKNAT-UHFFFAOYSA-N 332.425 2.639 0 50 EFAA COc1ccccc1-n1cc(C(=O)N2CCOc3ccccc32)cn1 20725526 ZGDGTVBEOYFRJS-UHFFFAOYSA-N 335.363 2.920 0 50 EFAA Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1 9486573 MUUUPQWIKLLRTM-UHFFFAOYSA-N 336.380 2.809 0 50 EFAA CCCCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O 22309430 SGLOMINNEBLJFF-UHFFFAOYSA-N 325.412 2.668 0 50 EFAA in-vitro CN(C)CCOc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)ccn1 136625948 HFNPZKMFXSXUDX-QGZVFWFLSA-N 343.402 2.578 0 50 EFAA COCc1nc(-c2cccc(NC(=O)[C@H](C)n3cccc3)c2)n[nH]1 409413047 AMLIEDVHDZUTSI-LBPRGKRZSA-N 325.372 2.619 0 50 EFAA O=C(NC[C@@H]1NCCc2ccccc21)c1cncc(C(F)(F)F)c1 423677439 RREKAYRTTZHDFN-HNNXBMFYSA-N 335.329 2.717 0 50 EFAA CCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 67446958 CWUWREIQSSTPRI-UHFFFAOYSA-N 348.462 2.722 0 50 EFAA O=C(NCc1ccccc1)NC[C@H]1CCCN(Cc2ccccn2)C1 67688786 GSRNLNRPRUKITB-GOSISDBHSA-N 338.455 2.793 0 50 EFAA Cc1ccc(N2CCCC2=O)c(C(=O)Nc2cccc(N(C)C)n2)c1 121336061 SNVFBALFZUOZNU-UHFFFAOYSA-N 338.411 2.835 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)C1 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2.909 0 50 EFAA Cn1cnc2c(C(=O)N[C@H](c3ccccc3)c3nccs3)ccnc21 376752408 YTJIWIUMYIZXIX-CQSZACIVSA-N 349.419 2.944 0 50 EFAA CSc1nc2ncc3c(=O)n(-c4ccc(C)c(C)c4)ccc3n2n1 30875319 SNMNMBZTULXYKY-UHFFFAOYSA-N 337.408 2.767 0 50 EFAA Cc1cc(C)c(C(=O)N2CCC[C@](O)(CN3CCCC3)C2)cc1C 77337376 NKTWIZDRANMPAN-FQEVSTJZSA-N 330.472 2.675 0 50 EFAA O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(N2CCOCC2)cc1 338077237 DLDHEMHPCMBYCW-UHFFFAOYSA-N 349.394 2.561 0 50 EFAA Cc1cn2cc(C(=O)N3CCCC[C@H]3c3nc(C)no3)ccc2n1 223699108 GNWHQMXPTZEBNX-AWEZNQCLSA-N 325.372 2.702 0 50 EFAA CC[C@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)C1CC(O)C1 223436092 QVCKJMSIXJYNED-NRXISQOPSA-N 329.444 2.778 0 50 EFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cnc(N)nc1C 223705129 BXEMAZQFKSXPPY-AWEZNQCLSA-N 326.400 2.708 0 50 EFAA CSCCCNC(=O)[C@H](Nc1ncnc2ccccc12)C(C)C 426643055 VCRJKDMUAMPAPL-OAHLLOKOSA-N 332.473 2.936 0 50 EFAA CCCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)n(C)n1 82138603 KUKNZZKMBHMRBV-INIZCTEOSA-N 329.448 2.654 0 50 EFAA c1ccc(N(C[C@@H]2CN3CCOB(OCC3)O2)c2ccccc2)cc1 195812640 MHIBLXPUPOPMAY-IBGZPJMESA-N 338.216 2.557 0 50 EFAA O=C(CCc1cccs1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91563192 XJIYIZMAUWJDHL-LSDHHAIUSA-N 342.468 2.598 0 50 EFAA Cc1nc(N2CCC(c3nnc4ccccn34)CC2)c2nc(C)oc2n1 91551877 MQSNMUXFMJSOPV-UHFFFAOYSA-N 349.398 2.661 0 50 EFAA O=C1CCC2(CCNCC2)CN1CCc1nc2cc(Cl)ccc2[nH]1 91621152 TYKJIGKBPZMETJ-UHFFFAOYSA-N 346.862 2.751 0 50 EFAA O=C(NCCNc1cccnc1)Nc1ccnn1C[C@H]1CC=CCC1 96153852 PRANFUNLOZVFQB-HNNXBMFYSA-N 340.431 2.868 0 50 EFAA Cc1cnn(CCCN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c1 91604734 YHPSFKPUCAMGJX-ZWKOTPCHSA-N 327.428 2.690 0 50 EFAA O=C(NCCSc1ccccn1)c1cccc(Cn2cccn2)c1 91644112 WRPKNTIVXKZHEO-UHFFFAOYSA-N 338.436 2.849 0 50 EFAA COCc1noc([C@@H](C)N(C)CCOc2ccc(Cl)cc2)n1 181534045 YPUGIJPYJLXBRN-LLVKDONJSA-N 325.796 2.941 0 50 EFAA CCN1C[C@H](NC(=O)c2[nH]c3c(C)cc(C)cc3c2C)[C@@H](OC)C1 91325301 XEVQUZSYNGVBGG-HOTGVXAUSA-N 329.444 2.542 0 50 EFAA Cc1cc(N2CCCN(C(=O)CN3CCCCCCC3)CC2)ccn1 91908092 CNKJEKDXBFKLCB-UHFFFAOYSA-N 344.503 2.695 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2cc3c(cc2F)NC(=O)CC3)C(C)(C)O1 183108952 ODCKOSNFFSMTJJ-CQSZACIVSA-N 334.391 2.786 0 50 EFAA O=C(CCc1ccc2c(c1)OCO2)NCCCCc1ccccn1 244874663 XFHMUUJTSJCUOA-UHFFFAOYSA-N 326.396 2.882 0 50 EFAA CCN(Cc1noc(-c2ccc(C)cc2)n1)Cc1nc(COC)no1 244773896 PIKMRNDJGXEQDQ-UHFFFAOYSA-N 343.387 2.597 0 50 EFAA O=C1[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@H]3CC[C@H]4C34CC4)[C@@H]2C(=O)N1c1ccccc1 257355895 DIFHGAAPLCCFPQ-IDIOBSITSA-N 335.403 2.626 0 50 EFAA CCc1nc(CN2CCN(C(=O)Nc3ccncc3F)CC2)cs1 184121169 SVLPCCGBDCDZLZ-UHFFFAOYSA-N 349.435 2.589 0 50 EFAA O=C(CCCc1cn[nH]c1)NC1CCN(CCc2ccccc2)CC1 534654496 AZBFXLRMCVXIQI-UHFFFAOYSA-N 340.471 2.556 0 50 EFAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCCCCC1 263617236 MVJVQCWVRIEWAK-MRXNPFEDSA-N 344.390 2.705 0 50 EFAA c1ccc(-n2nc(C3CCOCC3)nc2CC2CCNCC2)cc1 97813603 OBXVNANOUAZBIS-UHFFFAOYSA-N 326.444 2.703 0 50 EFAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CC(C)(C)C)c1cccnc1 825109506 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2.655 0 50 EFAA CCCCN(Cc1ccccn1)C(=O)c1cnc2ccccn2c1=O 952874298 ZZPVKROKNKLJEQ-UHFFFAOYSA-N 336.395 2.532 0 50 EFAA COc1cccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)c1 886038161 HNIIWWNKJRRWMO-DZGCQCFKSA-N 330.350 2.727 0 50 EFAA CC(C)(CNC(=O)Cc1ccc(-n2ccnc2)cc1)C1CCOCC1 887384524 IUDMMRRLNDIMHY-UHFFFAOYSA-N 341.455 2.984 0 50 EFAA CC(C)(C)C[C@@H](CO)NC(=O)Nc1ccc(F)nc1Br 1775998800 KDRUSKQWDAFFTM-QMMMGPOBSA-N 348.216 2.902 0 50 EFAA CC(C)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C 1775994087 SJIYTOGVBNGPGP-OAHLLOKOSA-N 334.416 2.579 0 50 EFAA COc1ccc(C2(C(=O)N3C[C@H](C(=O)O)[C@@H](C(C)C)C3)CC2)cc1 1565510569 LEPZOKWMMGCSAY-CVEARBPZSA-N 331.412 2.542 0 50 EFAA CN(C)[C@H]1CCC[C@@H]1NC(=O)CCC(=O)NC1CCCCCCC1 1565517067 WZGFOIKIWRXSLN-IRXDYDNUSA-N 337.508 2.595 0 50 EFAA Cc1n[nH]cc1CN1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 275616929 JBAXXMYAYPAJQM-HNNXBMFYSA-N 331.489 2.661 0 50 EFAA CC1(C)CN(C(=O)COc2ccccc2C(F)(F)F)CC[C@@H]1O 275775622 GAFXYYXCFLIEBQ-ZDUSSCGKSA-N 331.334 2.704 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2c(C)n[nH]c2n1 281867753 DQNBLHSXYGGWGM-IMJJTQAJSA-N 342.443 2.730 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)NCc1ccc(Cl)cc1F 187872621 RVEVQDXGFSFVLH-CYBMUJFWSA-N 337.786 2.654 0 50 EFAA CC(C)(C)n1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cn1 188828378 GKKLZXDISFENIZ-UHFFFAOYSA-N 330.363 2.914 0 50 EFAA CC[C@H](C)n1ncc(NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1C 408395503 NCWRDQUGJRNXNS-GDZNZVCISA-N 336.436 2.574 0 50 EFAA Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 408520496 IASMGAJAWDSZEC-TZMCWYRMSA-N 335.448 2.946 0 50 EFAA Cc1ccccc1C1(CNC(=O)[C@@H]2CCCO[C@H]2C)CCOCC1 190031777 FJYSMZUETVHJCB-DLBZAZTESA-N 331.456 2.975 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 225418058 JLSCGVZEBYUQQV-QWHCGFSZSA-N 341.238 2.834 0 50 EFAA CC[C@@H](NS(=O)(=O)c1ccc(F)c(OC)c1)c1c(C)noc1C 190807507 HNUWLNAYNJTTJL-CYBMUJFWSA-N 342.392 2.869 0 50 EFAA Cc1cccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c1Cl 190803128 FWPCTFPQIBYHHN-GFCCVEGCSA-N 325.792 2.744 0 50 EFAA 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Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3C)n2)cc1 2778743 DVPUVZLLFVWFHL-UHFFFAOYSA-N 342.424 2.744 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c(F)c1 348253114 CMFDWKWAEPYOAG-SUMWQHHRSA-N 333.334 2.922 0 50 EFAA COc1cc(-c2ccc(F)c3c2O[C@@H](CN)C3)cc(OC)c1OC 67966181 HRLYNGWMRYSRDK-LLVKDONJSA-N 333.359 2.781 0 50 EFAA CCCCc1noc([C@H](C)N2CCC[C@H]2[C@H]2CCCN2C(C)=O)n1 252477912 XPIKBAMQSNMLIT-CWRNSKLLSA-N 334.464 2.949 0 50 EFAA CN1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 110636796 MUAFWYMDBAZTJO-NJAFHUGGSA-N 343.496 2.947 0 50 EFAA Cc1c(C(=O)N2CCC3(CC2)CNC(=O)C3)n(C)c2c(C)cccc12 65387846 JVJGZYITJGUOHF-UHFFFAOYSA-N 339.439 2.537 0 50 EFAA C=Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]3O[C@H](C(=O)OC)C[C@H]32)cc1 253392730 UWKJMCGYTMBEPM-VZEFYGNVSA-N 329.396 2.653 0 50 EFAA O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CCc2cn[nH]c2C1 253427810 DIZOWPGOPRYZEQ-LBPRGKRZSA-N 335.367 2.736 0 50 EFAA O=C(c1[nH]nc2c1CCC2)N1CCC[C@@H](Nc2cccc(F)c2)C1 12315500 OPJYQDZHUSQEIK-CQSZACIVSA-N 328.391 2.754 0 50 EFAA Cc1nn(C(C)C)cc1CN[C@H](c1nccn1C)C1CCOCC1 284823092 VCERUGGJFCFXOD-KRWDZBQOSA-N 331.464 2.763 0 50 EFAA Cc1nc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cs1 219995169 FISALXVPAFFEAG-CKEIUWERSA-N 344.436 2.628 0 50 EFAA CCc1nc(C)sc1CN1CCCn2nc(CCC(=O)O)cc2C1 72431613 YZTMIGVFRNQLOJ-UHFFFAOYSA-N 348.472 2.634 0 50 EFAA Cc1cccc(CN2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)c1 328605830 PKOUAMVMNWQKEA-SFHVURJKSA-N 338.455 2.599 0 50 EFAA C[C@H](NC(=O)Cc1cccc(C(=O)O)c1)[C@H]1COc2ccccc21 364936780 RTKCCBCUTAQRDO-BLLLJJGKSA-N 325.364 2.608 0 50 EFAA Cc1noc([C@H]2CCN([C@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)n1 329055099 SGZHZLOVEHRBKG-HIFRSBDPSA-N 328.416 2.811 0 50 EFAA Cc1nc(C)c(NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)s1 331424916 DVCVTNDQNHMZGD-AAEUAGOBSA-N 335.433 2.535 0 50 EFAA O=C(c1ccc[nH]1)N1CCO[C@@H](c2ccccc2Br)C1 126731387 OZTKWYMRJLJFNK-CQSZACIVSA-N 335.201 2.991 0 50 EFAA COc1ccc(C(=O)N(C)c2ccc(C)c(Br)c2)nn1 187342851 WQDPJMKNKAXECZ-UHFFFAOYSA-N 336.189 2.833 0 50 EFAA O=C(CCC(F)(F)F)NCCc1csc(-c2ncccn2)n1 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2.912 0 50 EFAA CSc1nc(N)cc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 82146944 KHXDNASRJVKKDF-ZDUSSCGKSA-N 344.488 2.771 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)cn1 82107179 BGKBVSXFHKPFBX-CQSZACIVSA-N 335.411 2.990 0 50 EFAA Cc1ccc(N2O[C@@H]3C(=O)NC(=O)[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 238899998 HOZZJRZZAUAVBB-OAGGEKHMSA-N 342.782 2.783 0 50 EFAA CNc1nc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cs1 95360893 IHUIJHZBMCBTDP-CYBMUJFWSA-N 345.424 2.903 0 50 EFAA Cc1c[nH]ccc1=NCCNC(=O)N(C)Cc1csc(C(C)C)n1 426401762 HPXBXLVAOZWVLJ-UHFFFAOYSA-N 347.488 2.645 0 50 EFAA CC(C)Cc1cc(CSc2nnc(C3CCNCC3)n2C)no1 426409264 YWLYPRREESDXLW-UHFFFAOYSA-N 335.477 2.761 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCCOc1ccccc1F)C2 91255144 RTVRYWMURLPFKR-CQSZACIVSA-N 345.370 2.581 0 50 EFAA O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc[nH]1 97766811 JFYHXGQTUFJZHY-UHFFFAOYSA-N 335.363 2.778 0 50 EFAA CSCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91872685 QMKHXTAIOFJFMM-SFHVURJKSA-N 338.517 2.913 0 50 EFAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 95390358 LICKEPLRYNOZSA-ZWKOTPCHSA-N 342.487 2.965 0 50 EFAA CC(C)c1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)no1 230565824 CPIMHWUGMRWKQV-GOSISDBHSA-N 330.432 2.844 0 50 EFAA C[C@@H]1CN(C(=O)NC2CCN(c3ccccc3F)CC2)CCCO1 426518306 KHRMMDZHRVDXLR-CQSZACIVSA-N 335.423 2.615 0 50 EFAA CCn1ccnc1CNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 295791693 QZYWKNJJDXNNMV-UHFFFAOYSA-N 349.438 2.816 0 50 EFAA CC(C)C(=O)Nc1ccc([C@@H](C(=O)O)N(C)Cc2ccon2)cc1 95379012 GDSZXWDCZCANBX-HNNXBMFYSA-N 331.372 2.527 0 50 EFAA CN(Cc1ccccc1C(F)(F)F)C(=O)CN1CCCCC1=O 95503685 BFEDXUKQOGMMTD-UHFFFAOYSA-N 328.334 2.676 0 50 EFAA COCc1cccc(S(=O)(=O)Nc2cc(F)ccc2C(C)=O)c1 181804461 AMKLEPMWRLLIAH-UHFFFAOYSA-N 337.372 2.976 0 50 EFAA Cn1cc(C(=O)N2CC[C@H](O)CC(C)(C)C2)c(-c2ccccc2)n1 296836140 GTZAAWMZRGRNJY-HNNXBMFYSA-N 327.428 2.710 0 50 EFAA Cc1cccc(-c2noc(CNC(=O)[C@H]3CCOC(C)(C)C3)n2)c1 244690976 JAIGZHOKNCHHIO-AWEZNQCLSA-N 329.400 2.866 0 50 EFAA COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1 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COc1ccc(C(=O)N2CCC[C@](CO)(CC3CC3)C2)c(F)c1F 91459572 ITILBMQGNYODEK-SFHVURJKSA-N 339.382 2.988 0 50 EFAA CCc1nnc(CN(C)C(=O)Nc2ccc3nc(C)c(C)nc3c2)o1 96132507 LLMIATSWBZQNFL-UHFFFAOYSA-N 340.387 2.856 0 50 EFAA CC1(Cn2cc(-c3nc(-c4ccc(F)cc4Cl)no3)nn2)COC1 183865083 LLWPBWWOZCHUBG-UHFFFAOYSA-N 349.753 2.824 0 50 EFAA CN(Cc1nc(N)c2c3c(sc2n1)CCCC3)c1ccn(C)n1 299369160 QBQOZDOMIZPCIR-UHFFFAOYSA-N 328.445 2.522 0 50 EFAA O=C(Nc1cccc(F)c1)c1nnn2c1CO[C@H](c1ccccc1)C2 263617138 MFMRLZRJNBUOJM-INIZCTEOSA-N 338.342 2.941 0 50 EFAA NCCCOc1ccc(C(=O)N[C@H]2COC3(CCCCC3)C2)cc1 299784873 QLKLOGDZLVIYRC-MRXNPFEDSA-N 332.444 2.636 0 50 EFAA COc1ccc2[nH]c(CNC(=O)CCc3n[nH]c(C)c3C)cc2c1 824758474 HADJTWYAXRHRAI-UHFFFAOYSA-N 326.400 2.765 0 50 EFAA COc1cccc(-c2cc(-c3ccco3)nc(N3CC[C@@H](N)C3)n2)c1 824789981 OSGHVVITEJCIMV-CQSZACIVSA-N 336.395 2.950 0 50 EFAA CCCN1CC[C@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1 584899269 QJNIHUDAURRRLR-SFHVURJKSA-N 344.503 2.619 0 50 EFAA C[S@@](=O)Cc1ccc(CN[C@@H]2[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]52)cc1 952877407 PTGINZVIZCVSAM-CGSCXADDSA-N 327.493 2.801 0 50 EFAA OC[C@H]1CC2(CCN(c3cnc(-c4ccccc4)cn3)CC2)CO1 1875275889 JAFXTKSXMRMWOF-MRXNPFEDSA-N 325.412 2.511 0 50 EFAA CN(C)c1cncc(F)c1CNc1ccc(F)c(N2CCOCC2)c1 1875291234 RYSRNCCQPRAGLX-UHFFFAOYSA-N 348.397 2.875 0 50 EFAA O=C(CCc1ccc2c(c1)CCO2)NC[C@H]1COc2ccccc2C1 1875265193 XTCKKLUOKADDQD-INIZCTEOSA-N 337.419 2.922 0 50 EFAA CN(C)C/C=C/C(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12 1875376750 HFXJUKUNHHYODV-VMPITWQZSA-N 339.361 2.963 0 50 EFAA O=C(NC[C@@H]1C[C@@]12CCOc1ccccc12)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875307841 MVNALUNWXJLSBD-NKGVLGIYSA-N 327.424 2.801 0 50 EFAA CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(N)=O)c1 1875307867 NVSUXUSJNFHGEX-UHFFFAOYSA-N 347.459 2.869 0 50 EFAA C=CC(=O)Nc1cccc([C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1 1875387875 BQEIRXFHVIPPJO-QGZVFWFLSA-N 334.372 2.636 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1ccnc(OC2CCC2)c1 1875304744 SZJXRMNNSRXWBG-UHFFFAOYSA-N 344.411 2.920 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCc3ccccc32)c1 1875301612 QHWRTPIPIDNMRT-CYBMUJFWSA-N 326.371 2.775 0 50 EFAA CO[C@@H]1COC[C@@H]1N(C)c1nc(-c2cccnc2)nc2ccccc12 1875310582 VDKVVEFQKDJUAB-DLBZAZTESA-N 336.395 2.542 0 50 EFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2nn(C)cc2Cl)c1 952962645 HMDADIGISGHKCJ-JTQLQIEISA-N 332.791 2.841 0 50 EFAA O=C(NCc1noc2c1CCCC2)N[C@H]1CCCC[C@@H]1n1cccn1 885827766 LFTUITVQAFYGRC-HOCLYGCPSA-N 343.431 2.733 0 50 EFAA Cc1ccnc(N2CCC[C@@H]2c2ccc(N)nn2)c1Br 886085233 BGZOABCQQAOEHD-LLVKDONJSA-N 334.221 2.866 0 50 EFAA COc1cnc([C@@H]2CCCN2C(=O)c2ccoc2C2CC2)nc1O 889788015 UTEMCJCTFGVBNN-LBPRGKRZSA-N 329.356 2.639 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)CCc3ccc(F)cc3)CC2)O1 1775960612 WEJOVIDERZQBCK-DLBZAZTESA-N 349.402 2.629 0 50 EFAA CC(C)(O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC1CC1 1775993819 LIWVRHHQTXPNEF-CABCVRRESA-N 326.481 2.773 0 50 EFAA CC[C@@H](NC(=O)N1CCC2(CC1)C[C@@H]2C(=O)OC)c1nccs1 390832889 SEIPIQCSANNOJB-VXGBXAGGSA-N 337.445 2.579 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2ccncc2C)CC1 278402655 RHBFLAKFMWHDTL-DLBZAZTESA-N 332.444 2.965 0 50 EFAA COc1cc2c(NCCCN3C[C@H](C)O[C@@H](C)C3)ncnc2cc1F 170596360 GHMOOYIUMVHOIP-STQMWFEESA-N 348.422 2.689 0 50 EFAA O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 170942163 KHGBIEYUGLHLIR-QGZVFWFLSA-N 341.386 2.823 0 50 EFAA CN(C)c1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc2n1 680434246 MCPIHWLHMXWAEP-HNNXBMFYSA-N 349.438 2.975 0 50 EFAA C[C@]1(CO)CCCN(C[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O2)C1 222179340 XFDRPOWRLFMTRS-ZACQAIPSSA-N 325.836 2.848 0 50 EFAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnnn2C)cc1 639400843 FQAQQEZGDCNHRV-QGZVFWFLSA-N 335.367 2.595 0 50 EFAA Cc1nc2ccccc2nc1S[C@H]1CCN(c2cnn(C)c2)C1=O 110142185 DEMZNXBLQGLZIR-HNNXBMFYSA-N 339.424 2.569 0 50 EFAA C[C@H]1C[C@@H](C(=O)NCc2ccc(OC3CCCC3)nc2)CCN1C 225748498 GBWYVIKSFHGLFC-HOCLYGCPSA-N 331.460 2.750 0 50 EFAA Cc1cc(OCC(=O)NC2CCOCC2)cc(C)c1Br 190174027 YUGGPFHATHURBM-UHFFFAOYSA-N 342.233 2.740 0 50 EFAA CNC(=O)c1cccc(CCNCc2ccc(Br)o2)c1 191168496 LEZFGOKQXMMUMW-UHFFFAOYSA-N 337.217 2.734 0 50 EFAA Cc1ccc(CS(=O)(=O)N[C@H]2CC(C)(C)OC2(C)C)c(F)c1 192825695 GIXAQVNGUBKGNV-AWEZNQCLSA-N 329.437 2.900 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCO[C@](C)(C(F)F)C1 660750177 BQEUMJFDGXLEKQ-HWPZZCPQSA-N 346.349 2.961 0 50 EFAA O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC2(COC2)C1 662076461 JHGMCBLPFRVWCP-LJQANCHMSA-N 336.435 2.766 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]2c2ccccc2)oc1C(=O)O 663423441 BWGDMMREWXGFFD-FZMZJTMJSA-N 335.381 2.668 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 794197393 LAPMYXPWPRECPC-CQSZACIVSA-N 327.384 2.589 0 50 EFAA CSCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704340501 IXIFKEVMEUWQGX-UHFFFAOYSA-N 330.453 2.921 0 50 EFAA COc1cc(/C=C/C(=O)O)ccc1OCC(=O)Nc1ccccc1 466149 XHVKTDRQOZEKGX-CSKARUKUSA-N 327.336 2.811 0 50 EFAA COc1cccc2c1C1(CCN(C(=O)c3cccn3C)CC1)OCC2 1704340155 WADXOPALHHFEFQ-UHFFFAOYSA-N 340.423 2.738 0 50 EFAA COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)ccc2OC)C1=O 1142795 FPHDTXRHNIXPNO-IZZDOVSWSA-N 341.772 2.558 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)ccc1F 220265108 UOMMUUMHGADZDQ-SJORKVTESA-N 344.430 2.997 0 50 EFAA CCCn1nc(C)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1615735133 NVDFVPZEZYELSN-CVEARBPZSA-N 346.475 2.969 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(-c3ccccn3)cc1)C2 1772712995 YDHWJBXDCQCOIN-XLIONFOSSA-N 338.407 2.672 0 50 EFAA CC(C)CN1CCCN(c2nnc(CSc3ccncc3)o2)CC1 1772704653 KHFQGJCOJVLYKO-UHFFFAOYSA-N 347.488 2.925 0 50 EFAA Cc1cnc(C(=O)N2CCCN(C[C@H](C)c3ccccc3)CC2)cn1 1772813354 YBIUNIMCOWYCKZ-INIZCTEOSA-N 338.455 2.737 0 50 EFAA COc1cc(C(=O)O)ccc1OCC(=O)N[C@@H](C)c1ccccc1 5027778 CUZDZYIPJMXWST-LBPRGKRZSA-N 329.352 2.650 0 50 EFAA COC(=O)c1cc(-c2c[nH]c([C@H]3CC(=O)N(CC(C)C)C3)n2)c(C)o1 19795143 WMXUBOMBCQPXRQ-LBPRGKRZSA-N 345.399 2.737 0 50 EFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O 19878568 GAFYIWPWMFLPAY-CQSZACIVSA-N 343.360 2.515 0 50 EFAA O=c1c2cnc3ncnn3c2ccn1-c1cc(Cl)ccc1Cl 19960545 TZBNTCMJINEITM-UHFFFAOYSA-N 332.150 2.735 0 50 EFAA CC1(O)CCN(C(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)CC1 1857529520 LZLSNXPNMJCLQP-VHFSOBRXSA-N 343.471 2.649 0 50 EFAA Cc1nn(C)c(C=Cc2cc(C(=O)O)c3c(C)nn(C)c3n2)c1Cl 1857530344 PUSZBYZNVRSRII-UHFFFAOYSA-N 345.790 2.841 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 1857668875 PHFWWDQRQWIQTR-FXAWDEMLSA-N 331.456 2.839 0 50 EFAA Cc1ccc(-c2nc([C@@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)o1 1857681639 HSTUNVOMOICAAJ-CYBMUJFWSA-N 347.382 2.552 0 50 EFAA O=C(C[C@H]1CCCOC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857698755 HFAVAXNWOFSDGS-OAHLLOKOSA-N 339.439 2.821 0 50 EFAA CO[C@@H](CSc1nnc(CN2CCCC2=O)o1)c1ccccc1 225776840 JFUQZFJPHWRWCW-ZDUSSCGKSA-N 333.413 2.672 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C)nc1C(F)(F)F 408474416 VWHMMELOCMRMFT-NEPJUHHUSA-N 333.354 2.506 0 50 EFAA CS(=O)(=O)c1cc(-c2nc(Cc3cccc(F)c3)no2)cs1 225588227 DSJRSWYRWVJFOV-UHFFFAOYSA-N 338.385 2.932 0 50 EFAA NC(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cn1 123777358 OCZGUTQLHGDMKL-UHFFFAOYSA-N 341.386 2.561 0 50 EFAA C[C@@H]1CCc2c(sc3ncn(Cc4cc(C(=O)O)co4)c(=O)c23)C1 736802737 QHSWMDYJSWRANB-SECBINFHSA-N 344.392 2.922 0 50 EFAA Cn1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 332502351 ZNYHVNPTYPXHIV-UHFFFAOYSA-N 346.818 2.564 0 50 EFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCOCC1 238125251 GTKZSSRJCFGNTO-UHFFFAOYSA-N 345.317 2.545 0 50 EFAA CN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2ccccc2n1 345442806 JUAUKZBRPSFNLG-UHFFFAOYSA-N 340.404 2.915 0 50 EFAA CCOC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCCC1 352102840 TWCVENGKFKAOHB-UHFFFAOYSA-N 337.851 2.733 0 50 EFAA Cc1cccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1Cl 253433554 YHNRVFRILHMDMB-OAHLLOKOSA-N 344.846 2.766 0 50 EFAA CCc1ccccc1NC(=O)CNc1ccc2c(c1)C(=O)N(C)C2=O 151060094 BBUBUEFLAZCCGM-UHFFFAOYSA-N 337.379 2.525 0 50 EFAA O=C(N[C@@H]1CCc2ccccc21)N1CCC(Nc2cccnn2)CC1 153140967 IXMCSJGZGSGCLC-QGZVFWFLSA-N 337.427 2.750 0 50 EFAA C[C@@H]1CCOCCN1C(=O)c1cc(Br)cc2nc[nH]c12 367101253 SCIMZMVRMBLZMI-SECBINFHSA-N 338.205 2.576 0 50 EFAA CC(C)c1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n(C)n1 261703057 IFKXTPDCOPLKDF-QGZVFWFLSA-N 346.862 2.984 0 50 EFAA O=C(O)c1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1 263570616 IKHYYHAKZUVSSR-UHFFFAOYSA-N 344.455 2.999 0 50 EFAA Cc1cc([C@H](C)N[C@H]2C[C@@]3(CCNC3)Oc3ccccc32)nn1C 902503958 UJNUJYLINHJRDH-UCLAIMLFSA-N 326.444 2.635 0 50 EFAA Cc1cc(C)n(-c2ccc(-c3cnc(N4CC[C@@H](O)C4)nc3C)cc2)n1 904754631 VXHOLPGERYMIJJ-GOSISDBHSA-N 349.438 2.826 0 50 EFAA CCn1nc(C2CC2)cc1C(=O)N(C)c1ccc(C(F)(F)F)nn1 904942132 YCVDVERQIHDAJO-UHFFFAOYSA-N 339.321 2.866 0 50 EFAA CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnc(C)n2C)CC1 913790871 JNLSMRONYRDFJR-QGZVFWFLSA-N 344.434 2.777 0 50 EFAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(F)c(Br)c1 226193510 IHLJZJINQLJVQV-TVQRCGJNSA-N 329.213 2.930 0 50 EFAA Cc1oc(Br)cc1C(=O)N1CCC[C@@H](CCO)CC1 331566318 DDBLEOKRCSYDEY-LLVKDONJSA-N 330.222 2.975 0 50 EFAA C[C@@H]1[C@H](Nc2nc3cc(Br)ccc3o2)CCS1(=O)=O 705916697 FXQXJVIHYAPJED-VXNVDRBHSA-N 345.218 2.578 0 50 EFAA CN(C(=O)[C@@H]1CCCn2cnnc21)c1cccc(Br)c1 2325779464 GPKCSRJBQHOINU-GFCCVEGCSA-N 335.205 2.581 0 50 EFAA CCc1nc2ccccn2c1C(=O)N1CCN(c2ccncc2)[C@H](C)C1 2325784982 XNHDNTPVLONBAS-OAHLLOKOSA-N 349.438 2.643 0 50 EFAA O=C(NC[C@@H]1CCCC(F)(F)C1)c1ncoc1C1CCNCC1 2325795680 SUEQDHNJNMCUSA-LLVKDONJSA-N 327.375 2.697 0 50 EFAA CC(C)n1cc(NC(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cn1 110662960 KGBMMKUWUXTHIY-YQQAZPJKSA-N 331.464 2.802 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OC)cc2)c1 123224 WVCQAGGYMULWKU-UHFFFAOYSA-N 343.335 2.521 0 50 EFAA CC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 181033 GVDBTXMSCQPPPA-UHFFFAOYSA-N 341.386 2.747 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1 249057 AUTAHAXBVMFIRR-UHFFFAOYSA-N 325.430 2.873 0 50 EFAA O=C(NC(=S)N1CCOCC1)c1sc2ccccc2c1Cl 503219 SJSHLZDMTYNXRQ-UHFFFAOYSA-N 340.857 2.902 0 50 EFAA Cc1nc(NCCO)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2304864 LLYHZDUHZYIERE-UHFFFAOYSA-N 344.440 2.803 0 50 EFAA Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 6492282 GRERGNBRPOSGPD-UHFFFAOYSA-N 334.379 2.900 0 50 EFAA Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 6697991 LCWQMWOONRNCBH-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA C[C@H]1CCC[C@@H](C)N1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 55414874 HMZLLZQIJPKLFT-SCTDSRPQSA-N 345.487 2.852 0 50 EFAA CCC(=O)c1ccc(OCC(=O)N[C@@H](CC)c2ccnn2C)cc1 55100131 CVIWHXDSRUHZNH-HNNXBMFYSA-N 329.400 2.659 0 50 EFAA C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)N1CCN(C)CC1 248516323 OTKAJHASKPZMEK-IDCJVQTKSA-N 349.906 2.789 0 50 EFAA O=C(COCc1ccccc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348260181 NFJMSFZJVLGDSS-MSOLQXFVSA-N 329.371 2.677 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 348248586 STMTZQLDCKIHCB-RTBURBONSA-N 342.414 2.835 0 50 EFAA CN1C[C@@]2(CCN(C(=O)c3csc(-c4cccs4)n3)C2)OC1=O 72172529 RQIZWYNLNCGGJS-OAHLLOKOSA-N 349.437 2.538 0 50 EFAA C[C@@H](NC(N)=O)c1noc(CCCc2cccc(C(F)(F)F)c2)n1 350504440 IYDTYXAXVCQIHX-SECBINFHSA-N 342.321 2.993 0 50 EFAA CN(Cc1nc(-c2ccncc2)no1)C1CCC2(CCNCC2)CC1 67803162 AHCONXBOEYNNQA-UHFFFAOYSA-N 341.459 2.876 0 50 EFAA CCOc1cc(CN2CCC(F)CC2)ccc1O[C@H](C)C(=O)O 216329255 NCTGLWJICBZTPC-GFCCVEGCSA-N 325.380 2.871 0 50 EFAA O=C(C[C@@H]1COCCN1)NCCC(c1ccccc1)c1ccccc1 72161569 BKEHJVUSNUSSIT-LJQANCHMSA-N 338.451 2.703 0 50 EFAA COc1ccc(F)c(F)c1CN1CCC[C@H](C(=O)c2nccn2C)C1 77457665 SOCDHSVMFVXKEH-LBPRGKRZSA-N 349.381 2.802 0 50 EFAA COc1ccc(F)c(CN2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 72151944 XSJNBBJZLHACMK-ZDUSSCGKSA-N 331.391 2.606 0 50 EFAA Cc1cnn(CCc2nc(-c3cccnc3OCC(F)F)no2)c1 357998907 FUIQXFBZJHLDCH-UHFFFAOYSA-N 335.314 2.523 0 50 EFAA C[C@]1(C(=O)N2CCCCC2)CC1(Br)Br 2772296 VIHWJLYYPCWNGJ-SECBINFHSA-N 325.044 2.895 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3C[C@H](C)N[C@H](C)C3)c2)cn1 153412784 LZMRAWSJGODRIO-IYBDPMFKSA-N 339.439 2.791 0 50 EFAA c1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)cc1 39389231 UOPWFYDSXVARHA-UHFFFAOYSA-N 329.429 2.751 0 50 EFAA O=S1(=O)CCC[C@H](Nc2cnn(-c3ccccc3Cl)c2)C1 367610366 PYFSSPHIYVTFOP-NSHDSACASA-N 325.821 2.515 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCc4ccccc43)CC2)nc1 215892655 UTGSKDGQIOWKIC-SFHVURJKSA-N 336.435 2.930 0 50 EFAA NC(=O)c1csc(N2CCC[C@H](COc3ccccc3F)C2)n1 77318992 NBDCMIZKCIEYEE-NSHDSACASA-N 335.404 2.677 0 50 EFAA CN(Cc1cnn2ccccc12)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328627831 GPKDRYZAWAAMLB-PXNSSMCTSA-N 335.455 2.854 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1sccc1Br 328642202 QYYKMHPABMRHDG-JQWIXIFHSA-N 342.262 2.864 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)Cc3cccnc3)C2)CCC1=O 77565724 AFAIXQZGDCPYNR-FQEVSTJZSA-N 343.471 2.655 0 50 EFAA Cc1nn2cc(CNC(=O)C3(N4CCCC4)CCCCC3)nc2s1 219902893 WJSPTEBFSVVEOC-UHFFFAOYSA-N 347.488 2.514 0 50 EFAA Cn1nccc1C(=O)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1 369590072 BVEZEHYNPLWODM-OAHLLOKOSA-N 339.374 2.927 0 50 EFAA O=C(c1cccc(Oc2cnccn2)c1)N1CCO[C@@H](C2CC2)C1 372465277 PKODZDWCQMTTOX-MRXNPFEDSA-N 325.368 2.520 0 50 EFAA CC(C)n1ccc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)n1 262128586 MERPAZIAXNZHBW-ZDUSSCGKSA-N 339.754 2.812 0 50 EFAA Cc1cc(F)ccc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 126490266 RDCBBDVXRGZKQE-UHFFFAOYSA-N 349.383 2.577 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1cc(Cl)ccc1F)CCNC2 72431362 NKKOFFBANUYVHZ-UHFFFAOYSA-N 333.794 2.758 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3cnc(-c4ccccn4)nc3)C2)no1 215678620 OTTTVSHQMVWJHY-HNNXBMFYSA-N 336.399 2.610 0 50 EFAA Cc1ccc(C2(O)CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)nc1 72167751 PEYATTLGVIMODS-RBUKOAKNSA-N 343.515 2.938 0 50 EFAA CCOC(=O)c1[nH]c(C)c(CNCc2ccc3c(c2)OCO3)c1C 34928825 GMMZZIPDFFUURU-UHFFFAOYSA-N 330.384 2.827 0 50 EFAA CC(C)(C)c1noc(CCC(=O)N2CCCC[C@@H]2CCC(=O)O)n1 236658825 NUFMZUSTSFAENF-GFCCVEGCSA-N 337.420 2.546 0 50 EFAA O=C([C@H]1CC12CCC2)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72427033 XQGWRPNICZOHGS-OAHLLOKOSA-N 347.386 2.841 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 237410345 XAFLFMJAODVGQS-RYUDHWBXSA-N 328.815 2.834 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)sc1-c1ccc(F)cc1 237701495 DUQDUAFXCOKEDK-ZDUSSCGKSA-N 349.383 2.788 0 50 EFAA O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@@H]1CCCN1 238097511 BUXPTCYLFOIZOW-IBGZPJMESA-N 335.451 2.618 0 50 EFAA O=S(=O)(C[C@H]1CCCO1)Nc1cccc(Oc2ccccn2)c1 174772293 YLMITWYJBAXJAO-OAHLLOKOSA-N 334.397 2.795 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)NCCn1c(=O)[nH]c2ccccc21 175049823 AWFUOBXJNCMXTO-GFCCVEGCSA-N 344.440 2.794 0 50 EFAA CCn1ccnc1[C@H](NC(=O)c1cccc(C)n1)C1CCOCC1 286645823 CKZLETJXPXWIGQ-MRXNPFEDSA-N 328.416 2.504 0 50 EFAA Cc1cc2ncn(C[C@H](O)Cn3ccc(-c4ccccn4)n3)c2cc1C 241684904 QGGHEMOWHJHWRA-INIZCTEOSA-N 347.422 2.973 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2cccnc2N(C)C)N2CCCC2)o1 337721652 PSJAAJLTJGRKAI-MRXNPFEDSA-N 342.443 2.616 0 50 EFAA Cc1c(C(=O)N2CCC(CCN(C)C)CC2)c(=O)oc2ccccc12 177211659 DXARTOUXCGKOML-UHFFFAOYSA-N 342.439 2.905 0 50 EFAA COc1cc(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)ccc1F 221246391 CEVDFUGUXVONAB-UHFFFAOYSA-N 343.402 2.809 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCc2csc(CSC)n2)C1 95385307 QOMGPTXYIDMNIY-INIZCTEOSA-N 341.546 2.787 0 50 EFAA Cc1cc(C)c2c(N[C@H](CC(C)C)c3ncnn3C)ncnc2n1 95387700 BMDWWJABWFRRHR-CYBMUJFWSA-N 325.420 2.969 0 50 EFAA CCN(C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1CO 91693761 BZUUBGQZLCSNMT-CHWSQXEVSA-N 345.270 2.626 0 50 EFAA Cc1cc(N(C)C)cc(C)c1NC(=O)c1cnc2c(cnn2C)c1O 182298654 JHWUHNOUBFYPRT-UHFFFAOYSA-N 339.399 2.609 0 50 EFAA Cc1ccccc1-c1noc(CNC(=O)[C@H]2CCOC(C)(C)C2)n1 244734385 NEKCXRJZEYLRAN-ZDUSSCGKSA-N 329.400 2.866 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)CCSc1nnc(C)[nH]1)[C@@H](C)C2 183172161 SDBWUJMGCZABAE-ZBEGNZNMSA-N 330.457 2.953 0 50 EFAA CN(CC(=O)Nc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2O1 252507766 WTPGAKKLCDWLCF-CQSZACIVSA-N 331.803 2.609 0 50 EFAA COc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)o1 299741470 FBYPGDXFGFFNEP-CYBMUJFWSA-N 345.351 2.556 0 50 EFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccc2ccn(C)c2n1 1940195997 BPORSUKRBUNAFT-UHFFFAOYSA-N 347.378 2.896 0 50 EFAA Cc1nc([C@@H](C)NC(=O)Nc2ccccc2OC(F)(F)F)n[nH]1 299761886 BDOBOBMBSDDVSX-SSDOTTSWSA-N 329.282 2.894 0 50 EFAA O=C(NC1(CO)CCCC1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299778538 JYAGNYXHQPGVIH-KSZLIROESA-N 328.456 2.633 0 50 EFAA CCc1ocnc1C(=O)NCC1(c2cccc(F)c2)CCOCC1 299799785 SJAPVWFRCGZUJE-UHFFFAOYSA-N 332.375 2.854 0 50 EFAA COc1ccc2cc(C(=O)Nc3cccnc3)sc(=O)c2c1OC 824519488 PYNYDWBRGMJCMB-UHFFFAOYSA-N 342.376 2.926 0 50 EFAA CCN([C@H]1CCCNCC1)S(=O)(=O)c1ccc(C)cc1Cl 864094207 JTVSEABJQKTHQI-ZDUSSCGKSA-N 330.881 2.801 0 50 EFAA C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(S(C)(=O)=O)cc1 584899125 JJARZTFGDQVPBK-NSHDSACASA-N 346.399 2.592 0 50 EFAA CN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C1(c2cccc(Cl)c2)CC1 1875320252 MNZWWBFPUQZXSN-LBPRGKRZSA-N 339.844 2.736 0 50 EFAA C[C@H](OC(=O)[C@H]1CC(=O)Nc2ncccc21)c1nc2ccccc2[nH]1 1875344830 PGXBUIOKTHBCQH-JQWIXIFHSA-N 336.351 2.688 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Oc3cccnc3)cc2)cn1 1875385482 ULAASZSWGIKRLW-HJPURHCSSA-N 336.395 2.871 0 50 EFAA Cc1cccc2c(CCNC(=O)N3CCOCC4(CC4)C3)cn(C)c12 1875301845 SLRJJLJHOGZVOD-UHFFFAOYSA-N 341.455 2.851 0 50 EFAA N[C@H]1CCC[C@H](CN2CCC(n3c(O)nc4ccccc43)CC2)C1 1875318710 SZVQIERLRRTRIH-GJZGRUSLSA-N 328.460 2.896 0 50 EFAA O=C(NC[C@@H]1Cc2ccccc2CO1)N[C@H]1CC[C@H](OC(F)F)C1 888100024 XKNXYLOZVAQAIY-KKUMJFAQSA-N 340.370 2.587 0 50 EFAA COC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCCOC1 894852800 QGFIJBPHGYPJPN-JSGCOSHPSA-N 347.333 2.757 0 50 EFAA O=S1(=O)CC[C@]2(CCCN(c3cc(C4CC4)nc(C4CC4)n3)C2)C1 894082715 GPNFHLAOIGAZJC-SFHVURJKSA-N 347.484 2.637 0 50 EFAA Cc1cc(C(F)F)n2ncc(C(=O)N[C@H](C)Cc3ccco3)c2n1 1336750500 FTWHQKRARXZWCV-SECBINFHSA-N 334.326 2.929 0 50 EFAA COc1cc(CN2CC[C@](O)(C3CCC3)[C@@H](C)C2)cc2c1OCO2 1565531402 YBMZJPPHMMFLMQ-ORAYPTAESA-N 333.428 2.797 0 50 EFAA Cc1cc2ncc(C(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)c(C)n2n1 271436586 AVDXTNYBOVXAKV-OAHLLOKOSA-N 338.415 2.663 0 50 EFAA C[C@H](C(=O)N1CCc2c(Cl)cccc21)n1nnnc1C(C)(C)C 272244648 OAEJPRAVPMJRNJ-SNVBAGLBSA-N 333.823 2.774 0 50 EFAA Cc1ccc(CNC(=O)NC2CCC(O)CC2)c(N2CCCC2)c1 86989718 VQBDQJQHWMLEGP-UHFFFAOYSA-N 331.460 2.698 0 50 EFAA CO[C@H](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275973194 NUFNIICHAQLLLN-AEFFLSMTSA-N 333.476 2.710 0 50 EFAA Cc1ccc(N2CCCN(c3cccc(C(F)(F)F)n3)CC2)nn1 277108655 XPQXLLZALGIOKP-UHFFFAOYSA-N 337.349 2.916 0 50 EFAA CCCOc1ccc(CN2CCO[C@]3(CCOC3)C2)cc1OCC 187531182 XZHQHGLAIOSHEC-LJQANCHMSA-N 335.444 2.865 0 50 EFAA COCCN1C[C@@H](c2nc(-c3cc4cc(C)ccc4o3)no2)CC1=O 278273689 UANPQZRPEOWGDP-ZDUSSCGKSA-N 341.367 2.754 0 50 EFAA CC(C)c1ccc(-n2cc(O)c(C(=O)/N=c3/sccn3C)n2)cc1 170638402 QHNXGQFSHMIPBO-ISLYRVAYSA-N 342.424 2.842 0 50 EFAA CC[C@@H]1CN(C(=O)NCCc2nc(C(C)(C)C)cs2)CCO1 170927437 VHLSMHSEWACNJA-GFCCVEGCSA-N 325.478 2.804 0 50 EFAA Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)no1 171436517 COVCPXYUSFRYDI-LLVKDONJSA-N 328.372 2.697 0 50 EFAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1OC 281124346 SMOCMLOHGZIXFC-OAHLLOKOSA-N 347.390 2.944 0 50 EFAA COC(=O)c1ccc([C@H](C)N2CC[C@@H](C(N)=O)c3ccccc32)o1 222123087 IPVALQMYTIVONX-WCQYABFASA-N 328.368 2.606 0 50 EFAA CC(C)c1[nH]ncc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 189262380 HWLYTKDHESTTOG-AWEZNQCLSA-N 326.444 2.710 0 50 EFAA Cc1cc(C)c(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)o1 190669020 ISPDYRGLFJINRU-KRWDZBQOSA-N 327.428 2.886 0 50 EFAA Cc1cc(C)c(NC(=O)CN(C)c2ncnc3onc(C)c23)c(C)c1 193386799 JLQBKUSGGSZPTF-UHFFFAOYSA-N 339.399 2.926 0 50 EFAA CCc1nnc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1C 195070137 WWIWIUHBSFLSQG-CYBMUJFWSA-N 325.416 2.898 0 50 EFAA NC(=O)[C@H]1C[C@@H](Nc2nc(NCc3ccccc3)c3ccccc3n2)C1 664064654 MGVMBKGGKCFNBW-GASCZTMLSA-N 347.422 2.918 0 50 EFAA CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccoc1 670108936 QWYICBTUNQKTDY-UHFFFAOYSA-N 326.356 2.923 0 50 EFAA O=C(NC[C@@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1cccnc1 730420592 MQSRMNFIJLKRSM-OAHLLOKOSA-N 342.786 2.589 0 50 EFAA C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCO[C@@H]1C1CC1 680108607 BPRFVLXLJFONAE-ZIAGYGMSSA-N 333.812 2.715 0 50 EFAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NCc1cccnc1 457207 CXNQWUIGXIKYCT-VMPITWQZSA-N 331.828 2.939 0 50 EFAA CCC[C@]1(C(=O)O)CN(c2ccc3cccc(OC)c3n2)CC[C@@H]1O 1772700308 BOMREYGFWUNZFO-KXBFYZLASA-N 344.411 2.686 0 50 EFAA Cc1ccc(CNC(=O)c2cc(O)cc(C(=O)O)c2)c2cccnc12 1772704415 BBQDRKRWFNICLS-UHFFFAOYSA-N 336.347 2.877 0 50 EFAA COCCc1nc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2o1 11661853 WCKXZGXFDPGPEQ-CYBMUJFWSA-N 332.400 2.704 0 50 EFAA COc1ccccc1OCC(=O)Nc1ccc(-n2nncc2C)cc1 11690406 QRPNEGCQINWOQH-UHFFFAOYSA-N 338.367 2.602 0 50 EFAA COCc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(OC)c3)C2)o1 11838819 XYVGENPQMSWFJX-KRWDZBQOSA-N 345.395 2.518 0 50 EFAA CCN[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 14732150 WJPSOENOTNSISB-HNNXBMFYSA-N 332.492 2.632 0 50 EFAA O=C(CCc1ccc(F)cc1F)N1CCC(c2cc(O)no2)CC1 1857527051 PNVSYGFZBQUOIY-UHFFFAOYSA-N 336.338 2.997 0 50 EFAA Cc1nc(-c2scc3c2CCCC3)n([C@H]2CCS(=O)(=O)C2)n1 1857678424 XZUFIIHTYIXIGF-LBPRGKRZSA-N 337.470 2.553 0 50 EFAA C[C@H](CC(N)=O)C(=O)NCc1ccccc1Sc1ccccc1 242164690 WXAWNHWWKAVQFZ-CYBMUJFWSA-N 328.437 2.966 0 50 EFAA Cc1cc(CC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)n[nH]1 154126493 JZFXTXDXCDVNPC-BLLLJJGKSA-N 333.819 2.903 0 50 EFAA O=C(c1conc1C1CC1)N1CCC[C@H](NCc2ccccc2)C1 370686854 AHXFBFSAJJFUQY-INIZCTEOSA-N 325.412 2.946 0 50 EFAA Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)o1 265301727 VDFZLBHWDUNGJU-VXGBXAGGSA-N 344.333 2.662 0 50 EFAA Cc1cc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n(C)n1 163473397 RAXAEWBKAWZNIO-LJQANCHMSA-N 326.444 2.513 0 50 EFAA Cc1nc(CC(=O)N(CC(=O)O)Cc2ccc(F)cc2)c(C)s1 909731852 DEVKJLRREJZQSY-UHFFFAOYSA-N 336.388 2.555 0 50 EFAA CO[C@H]1C[C@@H](CN2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)C1 931840848 SEWZUBRBDQWXLH-SPUZQDLCSA-N 349.475 2.778 0 50 EFAA CCCN(CCc1cccs1)C(=O)COCc1ccnc(O)c1 860860515 HXFPNGMSFIBBFK-UHFFFAOYSA-N 334.441 2.847 0 50 EFAA Cc1nnc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)s1 404803350 LKKIGIGAOVNQJI-WDEREUQCSA-N 326.466 2.628 0 50 EFAA CN1CC[C@H](C(=O)N[C@H]2CCCC23CCCC3)[C@H](c2cnn(C)c2)C1 2325787036 XSLLYZGJEKMJKM-BZSNNMDCSA-N 344.503 2.685 0 50 EFAA Cc1nn2c(c1C(=O)NCc1nc3c(F)cccc3o1)CCCC2 2325798673 OCMHIQNWOHUZDL-UHFFFAOYSA-N 328.347 2.738 0 50 EFAA O=C1Cc2cccc(NS(=O)(=O)c3sccc3Cl)c2N1 2325866592 QTRXLAFIZCFOEC-UHFFFAOYSA-N 328.802 2.697 0 50 EFAA C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H](N2CCCC2)C1 246610595 GQRGZPFCKFWAHZ-DOTOQJQBSA-N 326.444 2.892 0 50 EFAA COc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1OC 69216 MFVVBEPOPCLNCH-UHFFFAOYSA-N 341.371 2.746 0 50 EFAA CCOC(=O)c1ccc(Oc2nc(SC)nc(N(C)C)n2)cc1 472567 KMGBZJVYWMTNGB-UHFFFAOYSA-N 334.401 2.629 0 50 EFAA CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 616978 XXFLGWVLMQTFPL-MRXNPFEDSA-N 338.860 2.921 0 50 EFAA O=C(c1ccc(F)cc1F)N1CCC[C@]12CCCN(C1CC1)C2=O 2356170197 ZPTNNMYVKRGWMG-SFHVURJKSA-N 334.366 2.724 0 50 EFAA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccc(F)cc2)CC1 4241746 RBVUICOGSFFJQN-CQSZACIVSA-N 338.379 2.504 0 50 EFAA O=C1C[C@H](c2ccccc2)N=C(SCC(=O)NC2CCCCC2)N1 6530164 QAIBVZGSWCBWKD-OAHLLOKOSA-N 345.468 2.786 0 50 EFAA O=C(CCSc1ccc(Cl)cc1)NCCCN1CCOCC1 20513254 ZTDCEBCFMJCPOE-UHFFFAOYSA-N 342.892 2.661 0 50 EFAA COc1ccc(Nc2nc(N)nc(CN3C[C@@H](C)C[C@H](C)C3)n2)cc1 9327678 BHCSIGFKSFINLQ-STQMWFEESA-N 342.447 2.684 0 50 EFAA CCc1ccc(NC(=O)CSc2nnc(NC(C)=O)s2)cc1 9329709 NVPQJLTXFDTLHJ-UHFFFAOYSA-N 336.442 2.790 0 50 EFAA CCc1ccccc1NC(=O)C[C@H]1C(=O)N=C2Nc3ccccc3N21 20103327 KPHRSBRIDSISPT-INIZCTEOSA-N 334.379 2.775 0 50 EFAA Cn1cc(Cl)c(CN(CCCn2ccnc2)Cc2cccnc2)n1 55325630 OLWGYWGKYWNKOE-UHFFFAOYSA-N 344.850 2.758 0 50 EFAA Cc1ccc(CSc2sc3c(O)cc(=O)[nH]c3c2C(N)=O)cc1 65363567 PRNWIPKXZIYXIG-UHFFFAOYSA-N 346.433 2.995 0 50 EFAA CCO[C@@H]1C[C@@](CO)(NC(=O)[C@H](C)c2c(F)cccc2F)C1(C)C 249337263 ILGOVGDORRPNTA-OMPKRAJASA-N 341.398 2.751 0 50 EFAA CN(Cc1ncccc1C(=O)O)C[C@H]1CCN(c2ccccc2)C1 65497341 JYGVKVZZVXENJL-OAHLLOKOSA-N 325.412 2.738 0 50 EFAA Cc1nc(N)nc(C)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 349835393 DCVDUFSNBUXYPS-UHFFFAOYSA-N 334.383 3.067 0 50 EFAA Cc1ccc([C@@H](NC(=O)NC[C@@H](CO)c2cccnc2)C2CC2)cc1 350132678 ZMXSGUYKEBPKNV-RBUKOAKNSA-N 339.439 2.916 0 50 EFAA Cn1cc(-c2cc(CSc3nc(O)cc(C(F)F)n3)on2)cn1 351887958 SPSOHTPJVWRVAZ-UHFFFAOYSA-N 339.327 2.801 0 50 EFAA Cc1nc(N)nc(N2CCCN(c3ccc(F)cc3)CC2)c1Cl 1506405338 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KNFGHLFWMVWAEC-CYBMUJFWSA-N 341.367 2.900 0 50 EFAA CC(C)[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67868978 FVXYNKVPEJUOBS-HNNXBMFYSA-N 336.338 2.785 0 50 EFAA CC1(C)[C@H]2CC=C(CN3CCn4nc(CCC(=O)O)cc4C3)[C@@H]1C2 72171518 WELSRJCIIFGAKW-YOEHRIQHSA-N 329.444 2.708 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(N)=O 284938380 VBPHTXLXFQDOQI-VXNVDRBHSA-N 334.725 2.552 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1C 237147238 MAXFQEVKVUCCGJ-HNNXBMFYSA-N 332.835 2.658 0 50 EFAA Nc1nc(C2CC(N)C2)cc(N2CC=C(c3ccc(F)cc3)CC2)n1 218827455 AXSFLHVRWAWMME-UHFFFAOYSA-N 339.418 2.696 0 50 EFAA O=C([C@@H]1CCCc2n[nH]cc21)N1CC(Cc2ccc(F)cc2F)C1 371930624 FLUGHMBBJWGUQF-CQSZACIVSA-N 331.366 2.809 0 50 EFAA Cc1cc(C)n(C[C@H](C)Nc2nc(C(C)C)nc3c2cnn3C)n1 72142126 IWOPOYFQHUUPHI-LBPRGKRZSA-N 327.436 2.801 0 50 EFAA CC[C@](NC(=O)Cn1nc(C)cc1C)(C(=O)O)c1ccc(Cl)cc1 262026582 GNLXUACXUMLPDR-QGZVFWFLSA-N 349.818 2.660 0 50 EFAA CCc1ccc(CNC(=O)C[C@@H](C)n2nc(C)c(C(C)=O)c2C)nc1 219318524 MEYRLIBRSWTUGI-GFCCVEGCSA-N 342.443 2.927 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 238087478 JZFXTFOKZYFPFV-CQSZACIVSA-N 330.409 2.618 0 50 EFAA COC1(c2ccccc2)CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 376280307 WEFHCYZLJIIMDZ-ZDUSSCGKSA-N 327.428 2.904 0 50 EFAA O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccccc1COCc1ccccc1 262612632 LNBXJQFMZGAEKK-ROUUACIJSA-N 339.391 2.740 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1COCc1ccccc1 262612630 LNBXJQFMZGAEKK-QZTJIDSGSA-N 339.391 2.740 0 50 EFAA O=C1CCCN1CCC1CCN(c2nc(-c3ccccc3)no2)CC1 77437723 ZCHSOGQVRHCJQT-UHFFFAOYSA-N 340.427 2.966 0 50 EFAA C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1)c1cccs1 263058957 BCCDXWODALIOSE-LNSITVRQSA-N 337.441 2.580 0 50 EFAA Cc1nc([C@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)n[nH]1 215984704 DQLBEGDNGIHUNL-AWEZNQCLSA-N 344.390 2.621 0 50 EFAA Cc1ccc(OC[C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 242302332 YRLZSKVFWKZETE-RYRKJORJSA-N 333.476 2.744 0 50 EFAA FC(F)(F)c1ccnc(CCNc2nnc(-c3ccon3)s2)c1 338752447 QPNUVEMWUBWEDP-UHFFFAOYSA-N 341.318 3.262 0 50 EFAA Cc1csc(C2(NC(=O)c3ccnc4c3ncn4C)CCCC2)n1 287942206 KOQPHYYESIPORD-UHFFFAOYSA-N 341.440 2.933 0 50 EFAA CCC[C@H]1CCCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 176655695 UIGSOJYBBYXBSI-NFOMZHRRSA-N 330.494 2.564 0 50 EFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c(C)o1 82135145 SSWJYMBESUITQG-UHFFFAOYSA-N 344.459 2.885 0 50 EFAA Cc1nn(C)c2sc(C(=O)N3C[C@H](C(=O)O)c4ccccc43)cc12 177472934 GTMKBCRDVGWNKL-LBPRGKRZSA-N 341.392 2.772 0 50 EFAA O=C(CN1CCC[C@H]1Cn1cccn1)N[C@@H](c1ccccc1)C1CC1 229488881 YIQIBNJGVPVUHZ-ICSRJNTNSA-N 338.455 2.615 0 50 EFAA CCn1nc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c2ccccc21 291643350 BVBUAAUCMVIOJI-RHSMWYFYSA-N 335.473 2.502 0 50 EFAA c1csc(CN2CCCN(c3cc([C@H]4CCOC4)ncn3)CC2)c1 426533915 XTRYFKIBWMRNHJ-HNNXBMFYSA-N 344.484 2.754 0 50 EFAA CCn1ncnc1[C@@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)C1CC1 223720814 BKYYETDXWCATOE-INIZCTEOSA-N 339.399 2.669 0 50 EFAA CCCc1nnc(N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)s1 223243796 UYNJHQDKSGXSPW-INIZCTEOSA-N 347.488 2.931 0 50 EFAA CC(C)(O)c1cn(C2CCN(C(=O)C3CCCCCC3)CC2)nn1 48315049 ZEMJBKXNEBPSKN-UHFFFAOYSA-N 334.464 2.639 0 50 EFAA COC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cccc2cccnc12 220333166 VPHXAUQLLXFMFL-MRXNPFEDSA-N 341.411 2.814 0 50 EFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1onc3c1CCCC3)C2 426544667 HJRDUMPUVVTWEK-UHFFFAOYSA-N 326.400 2.797 0 50 EFAA Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)c2n1 180524239 NGSJSELUXAATGU-CYBMUJFWSA-N 330.432 2.730 0 50 EFAA O=C(Nc1cc(F)ccc1Cl)N1CCC(N2CCOCC2)CC1 95497549 VFGMAPSXUUXTHT-UHFFFAOYSA-N 341.814 2.808 0 50 EFAA COCCc1ncc(CN2CCC[C@@](CO)(CC=C(C)C)C2)cn1 92066497 ULNSPIMGRWUHDS-LJQANCHMSA-N 333.476 2.596 0 50 EFAA Cc1ncccc1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 95358657 STDXXJICOFCMTJ-UHFFFAOYSA-N 329.444 2.501 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2N(C)C)cc1 95388910 AXTQXWCLEBLLOQ-PKOBYXMFSA-N 339.439 2.568 0 50 EFAA C[C@H](NC1CCN(c2ncnc3ccsc23)CC1)c1ccncn1 95505880 GQZVLMRKIHDFIV-LBPRGKRZSA-N 340.456 2.801 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCc1ccc(C(=O)O)s1)N(C)C 95502246 NSGJBYCTZIZBHG-OAHLLOKOSA-N 332.425 2.674 0 50 EFAA CCOc1ccccc1CN(C)C(=O)CN1C(=O)OC[C@@H]1C(C)C 95525250 PTNWXVYCDQHEKX-OAHLLOKOSA-N 334.416 2.521 0 50 EFAA O=C(NCCCn1nnc2ccccc21)C1(c2ccc(F)cc2)CC1 92077562 ALQBBFSGVTVUCG-UHFFFAOYSA-N 338.386 2.809 0 50 EFAA O=C(NC[C@@H]1CC=CCC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 181524717 MMHMQCFGAGPTGJ-UKRRQHHQSA-N 329.448 2.927 0 50 EFAA CCN1C[C@H](C(=O)N2CCC(Sc3ccc(C)cc3)CC2)CC1=O 91536418 VDKWGGQZEBZFQV-OAHLLOKOSA-N 346.496 2.947 0 50 EFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cccc(Oc2cnccn2)c1 269122278 DPFTYRCRUQBOCK-CZUORRHYSA-N 326.400 2.611 0 50 EFAA CC(C)Oc1ccc(NC(=O)CN2CCN3CCCC[C@H]3C2)cc1 244899377 ZITAZMDSLIUSAO-KRWDZBQOSA-N 331.460 2.582 0 50 EFAA O=C(CCc1ccc(F)c(F)c1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244723597 MEGNDYDEPDVVFG-KSMMKXTCSA-N 346.377 2.921 0 50 EFAA NC(=O)[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F 299741066 COBKGNZDFMXBBG-MWLCHTKSSA-N 340.267 2.801 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 299746670 YZJXTOFRBBDYKN-TXPKVOOTSA-N 331.412 2.786 0 50 EFAA Cc1cc(S(=O)(=O)NCC[C@H]2CCCOC2)c(Cl)cc1F 528452326 VWCKTOINARVPLO-LLVKDONJSA-N 335.828 2.883 0 50 EFAA CC[C@@H](NC(=O)N(CCOC)Cc1ccccn1)c1cccnc1 534577220 BBYBNDYKMNWPGF-QGZVFWFLSA-N 328.416 2.786 0 50 EFAA Cc1ccc2nc(CCCNC(=O)c3cc4ncccn4n3)[nH]c2c1C 534575257 YEKBPKFSVXBXNY-UHFFFAOYSA-N 348.410 2.585 0 50 EFAA Cc1cccc([C@@H](CNC(=O)c2cc(Cl)cnc2O)N(C)C)c1 534663357 DEFIRQQOLACLFO-OAHLLOKOSA-N 333.819 2.782 0 50 EFAA COc1ccc(NC(=O)[C@@H](C(C)C)n2cccc2)cc1-c1nnn[nH]1 263587297 FHJXTWYDLNRASH-OAHLLOKOSA-N 340.387 2.513 0 50 EFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCOC[C@H](CN(C)C)C1 299792562 GIRDIJBPNAHMAI-MRXNPFEDSA-N 341.455 2.502 0 50 EFAA CC(C)C(=O)N1CCn2nc(CNc3nc4ccccc4o3)cc2C1 299788526 QONSKPXKFTXOMK-UHFFFAOYSA-N 339.399 2.635 0 50 EFAA Cc1cccc(Cn2ncc(C)c2NC(=O)NCCN2CCCC2)c1 299784862 NBVOJNXEURULMV-UHFFFAOYSA-N 341.459 2.766 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)c2scc3c2OCCO3)c1 828066213 OZYPJTAZHDAANR-UHFFFAOYSA-N 346.408 2.586 0 50 EFAA Cc1nccn1CCN(C)C(=O)NCCc1nc2ccccc2s1 584897707 RNSBZANDUOCIIO-UHFFFAOYSA-N 343.456 2.685 0 50 EFAA COC12CC(CN(C(=O)Nc3cccc(Cn4cccn4)c3)C1)C2 1875289885 WFIBDNIICPNERA-UHFFFAOYSA-N 326.400 2.574 0 50 EFAA Cc1cnccc1CNS(=O)(=O)C[C@H]1C[C@H]1Cc1ccccc1 1875298225 SFSYSIKCCUKBEQ-QZTJIDSGSA-N 330.453 2.688 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)c2ccn3c2CCC3)[C@H]1Oc1ccccc1 1875271621 BSXXJSCDBFDPCN-BHIYHBOVSA-N 340.423 2.789 0 50 EFAA CC(C)c1ccc([C@@H](CO)NC(=O)c2ccc(C(=O)O)cc2)cc1 1875286809 GZAAWKUBUHDYRV-QGZVFWFLSA-N 327.380 2.972 0 50 EFAA O=C(Cc1cccc(C(=O)O)c1)Nc1ncc(C[C@H]2CCCO2)s1 1875277373 IASRXFZPAHCHLR-CYBMUJFWSA-N 346.408 2.744 0 50 EFAA CCOc1ccc(NC(=O)NC2CC(OC)(OC)C2)c2ncccc12 952880020 AXCXTGNCUKWLHL-UHFFFAOYSA-N 345.399 2.907 0 50 EFAA COc1cccc(SCC(=O)NCC2(Cn3ccnc3C)CC2)c1 952963250 JHHBJKNJQSYDPM-UHFFFAOYSA-N 345.468 2.889 0 50 EFAA CCCn1c(C)nc2cc(NC(=O)[C@H]3CC(=O)N(CC)C3)ccc21 952971629 HTKOGYARTZDXMB-ZDUSSCGKSA-N 328.416 2.562 0 50 EFAA Fc1cccc(F)c1-c1ccc(N2CCC(n3ccnn3)CC2)nn1 893087505 YBDJRPBXHSBLLU-UHFFFAOYSA-N 342.353 2.855 0 50 EFAA CCSc1nc(C)c([C@@H](CC)C(=O)NC[C@H](O)C2CC2)s1 1417668954 MATYCSOUQXZPEZ-NEPJUHHUSA-N 328.503 2.944 0 50 EFAA Cc1nc(CS(=O)(=O)N2CC(C)(C)c3c(Cl)cccc32)no1 1363793814 URTRETKSJZELLI-UHFFFAOYSA-N 341.820 2.659 0 50 EFAA Cc1cccc([C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)C2)c1 273122228 RQTVEECLYZRWRU-INIZCTEOSA-N 348.402 2.851 0 50 EFAA Cc1c(NC(=O)c2ccnn2CC2CCC2)n[nH]c1C(F)(F)F 630854013 XEFMFTIYPIRZHZ-UHFFFAOYSA-N 327.310 2.986 0 50 EFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1csc(Br)c1 275521275 LDTDEEWJNAGUOW-JQWIXIFHSA-N 342.262 2.864 0 50 EFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)nn1 275731682 ZVVGNOOCAGRSQL-IINYFYTJSA-N 341.337 2.902 0 50 EFAA C[C@H](CC1CCCCC1)NC(=O)c1cn(Cc2ccccn2)nn1 278472779 ZPUNDYLQEQSHRQ-CQSZACIVSA-N 327.432 2.810 0 50 EFAA COc1cc(C(=O)N2C[C@H](OC)[C@H](OC)C2)ccc1OC1CCCC1 170612149 UGFZHNLINDIULG-HDICACEKSA-N 349.427 2.502 0 50 EFAA Cc1ccc(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)n1C 186603278 SMEIXGSVCAIIBJ-UHFFFAOYSA-N 331.347 2.546 0 50 EFAA COC(=O)c1cc(F)ccc1N1CCN(Cc2ccccc2)CC1 90513241 AGPAGDTZNRMSLV-UHFFFAOYSA-N 328.387 2.935 0 50 EFAA in-vitro Cc1ccc([C@H](NC(=O)c2ccc(C)n2C)[C@H](C)S(C)(=O)=O)cc1 280998621 NRFYBNFHXIJTRP-WMLDXEAASA-N 348.468 2.546 0 50 EFAA COc1ccccc1CN(C[C@H]1CCCO1)c1ncnc2[nH]ncc12 301870365 WNWUBZUBKLXEFX-CQSZACIVSA-N 339.399 2.547 0 50 EFAA COc1ccc(NC(=O)OC(C)(C)C)c(NCc2cn(C)nn2)c1 302100664 XFPZJVYNLFGYDW-UHFFFAOYSA-N 333.392 2.783 0 50 EFAA OC1(CCN2CCOc3ccc(Br)cc3C2)CCC1 411688955 DOOGVCVLPDEBIG-UHFFFAOYSA-N 326.234 2.949 0 50 EFAA COC(=O)[C@H](NCc1cccc(OC)c1)c1ccc2c(c1)CCO2 189611007 NDKUAEANCXSVQS-GOSISDBHSA-N 327.380 2.634 0 50 EFAA Cc1nc(N)c2c(C)c(C(=O)N3CCSC[C@H](C)C3)sc2n1 683138302 KIRDKNPHROXESQ-MRVPVSSYSA-N 336.486 2.715 0 50 EFAA Cc1ccnc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 190672103 VNWWSKMYDAFYFP-QGZVFWFLSA-N 339.443 2.771 0 50 EFAA C[C@@H]1CSCCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 192235185 OXULISORHOZQKS-JTQLQIEISA-N 349.378 2.627 0 50 EFAA C[C@H]1CN(CCN(C)C(=O)Nc2nc(C3CC3)cs2)C[C@@H](C)O1 193699493 YBTXYIXMSWVDSX-TXEJJXNPSA-N 338.477 2.593 0 50 EFAA CN([C@H]1CCN(c2ccccc2F)C1=O)[C@@H](C(=O)O)c1ccsc1 652413903 XOKADHJYJULQSZ-LSDHHAIUSA-N 348.399 2.750 0 50 EFAA COc1ccc2cc([C@@H](C(=O)O)N(C)CC3(C)COC3)ccc2c1 1529153072 PNSUHNUYGVTNON-KRWDZBQOSA-N 329.396 2.942 0 50 EFAA NC(=O)c1ccc(OCCCN2CCCN(C3CCCC3)CC2)cc1 1529120434 ZPFLSRUREPCVCQ-UHFFFAOYSA-N 345.487 2.505 0 50 EFAA Oc1ccc2cc(CN3C[C@@H](O)[C@H](Cc4ccncc4)C3)ccc2c1 1529186172 WAYNUYAHOIMMMD-TZIWHRDSSA-N 334.419 2.976 0 50 EFAA CCc1nccn1CC(=O)N(C)Cc1cc(Br)cs1 158613595 SPEIYQVVSWJOPV-UHFFFAOYSA-N 342.262 2.928 0 50 EFAA CCn1ccnc1-c1nccn1-c1ccc2c(c1)nc([C@H](C)O)n2C 1772818144 NCZZQVOEZGVBGD-LBPRGKRZSA-N 336.399 2.696 0 50 EFAA O=C1CCC(=O)N1OCCOc1cccc(Oc2ccccc2)c1 5048920 BJCFNCHBBFGCFX-UHFFFAOYSA-N 327.336 2.938 0 50 EFAA O=C1CN(C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)CCN1 11662594 NHIFZHOGVVUIJM-QGZVFWFLSA-N 342.826 2.820 0 50 EFAA COc1ncccc1C(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C 12056091 IIRZQFYCZZSFDJ-CYBMUJFWSA-N 349.394 2.742 0 50 EFAA CCOC(=O)Cc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 13571371 QHOFTAZVHRFADI-UHFFFAOYSA-N 340.792 2.941 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 19809240 UGILGAVXEGDSKD-UHFFFAOYSA-N 336.482 2.563 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccccc3)n[nH]c21 1857529774 NEWXDXLPUKQKQH-OLZOCXBDSA-N 329.400 2.583 0 50 EFAA C[C@]1(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CCCCO1 1857672903 LSACRQUNAYTSCM-HXUWFJFHSA-N 339.439 2.963 0 50 EFAA COCCn1cncc1Cn1ccnc1-c1cccc2ncccc12 1857689270 LPULRRVYGZCMFN-UHFFFAOYSA-N 333.395 2.990 0 50 EFAA O=C1CCc2c1ccc(OCC(=O)N1CCO[C@H]3CCCC[C@@H]31)c2F 329281454 NGMGTYWISADFPA-HOCLYGCPSA-N 347.386 2.503 0 50 EFAA O=C(c1cc(N2CCOCC2)ccn1)N(CC1CC1)c1ccccc1 131651001 JWJVPXCMEZLVKN-UHFFFAOYSA-N 337.423 2.975 0 50 EFAA C[C@@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1nnc2n1CCCC2 368106736 AZRVRASXMZQUIU-SNVBAGLBSA-N 348.838 2.538 0 50 EFAA C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(N)CC1 157623650 XZHFYEUJQDASAF-CQSZACIVSA-N 339.439 2.794 0 50 EFAA O=C(c1occc1COc1ccccc1)N1CC[C@@]2(CCNC2)C1 159009112 XHZNJZGKJRMAOJ-LJQANCHMSA-N 326.396 2.684 0 50 EFAA CCn1nc(NC(=O)c2ccc(S(=O)(=O)CC)cc2)cc1C1CC1 267376869 HFPWRFACDNHGJH-UHFFFAOYSA-N 347.440 2.826 0 50 EFAA CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2(C(=O)O)CCC2)CC1 902626964 FHNVSUVSJDOJQT-MRXNPFEDSA-N 348.418 2.676 0 50 EFAA Cc1cc(S(=O)(=O)N(C)C[C@@](C)(O)c2ccccc2)ccc1F 819913831 QLXRSXALGMPPJY-QGZVFWFLSA-N 337.416 2.662 0 50 EFAA Cn1ccnc1[C@H](NC(=O)c1ccc(F)c2occc12)C(C)(C)CO 824475243 MTUCYTZVGQTBIE-HNNXBMFYSA-N 345.374 2.795 0 50 EFAA CC(C)(C)n1nnc(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)n1 932188818 OMNBCAZCKVTXIG-LBPRGKRZSA-N 346.504 2.753 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F 932430194 XWUMXNCXAJAKFJ-UPJWGTAASA-N 348.777 2.749 0 50 EFAA CNCC1CCN(C(=O)c2ccc(Br)cc2OC)CC1 127253271 LACHUEXUWZVTGC-UHFFFAOYSA-N 341.249 2.529 0 50 EFAA O=C(c1cnc(C2CC2)nc1)N1CC[C@]2(C(=O)O)CCCCC[C@H]12 2325775347 YQCQOCJHWCFLMU-KBXCAEBGSA-N 329.400 2.604 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)cc2)nn1 2325781187 UUHRLTRGUVFLCC-UHFFFAOYSA-N 347.422 2.990 0 50 EFAA C[C@]1(C(F)(F)F)CCN(S(=O)(=O)C2[C@@H]3CCCC[C@@H]23)CCO1 2325782874 LIHULRFNDHLBEY-NQBHXWOUSA-N 341.395 2.548 0 50 EFAA COc1cc(F)c([C@H](C)NC2=NC[C@H]3CC[C@H](C)CN23)cc1OC 2325864600 SWPCEXWPTVTHNC-RWMBFGLXSA-N 335.423 2.964 0 50 EFAA O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cnc(C2CC2)o1 910098514 ODBXJPXSZNZJJV-KBPBESRZSA-N 326.352 2.983 0 50 EFAA COc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(OC)c1 245835 AOZFEVPTSJMZGZ-UHFFFAOYSA-N 342.351 2.641 0 50 EFAA CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)c(Cl)c2)S1 448676 LWQFPVYFAAPMTF-LLVKDONJSA-N 332.212 2.994 0 50 EFAA Cc1nc2ccnn2c(NCC2(N3CCOCC3)CCCCC2)c1C 2356136202 KMDLXOZQRYCYEP-UHFFFAOYSA-N 343.475 2.793 0 50 EFAA CCOC(=O)[C@](CCC(=O)O)(CCC(C)C)c1csc(N)n1 2350715 ZLGWGYVHTJHKGV-HNNXBMFYSA-N 328.434 2.827 0 50 EFAA COc1cccc(C(=O)N2CCN(C[C@H]3CC=CCC3)CC2)c1OC 4745838 IRXTZZNSTJPMEF-INIZCTEOSA-N 344.455 2.818 0 50 EFAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 4839630 TZKASSZWEWQRHP-HNNXBMFYSA-N 342.370 2.987 0 50 EFAA COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)c(C)c1)C2 102794662 NUBFJPJJDNCWKS-QDMKHBRRSA-N 334.391 2.727 0 50 EFAA O=C(NCCCOC[C@@H]1CCOC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 247129510 XAEJTMQJPXJFEC-ONTMVUMWSA-N 336.476 2.554 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1)[C@H]1COc2ccccc21 247247742 ZSPSYIJQLGCCPU-CWLKWCNXSA-N 343.471 2.677 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c(OC)c1 8217460 QXOLCJHHYRVXOE-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)N(C)CCc1ccccn1 55404946 XTBVCXQCUYBPAU-SFHVURJKSA-N 327.428 2.982 0 50 EFAA COc1cccc(C(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 100646662 HVAVOXHNZSHXEB-XYJFISCASA-N 326.440 2.665 0 50 EFAA Cn1cc([C@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C2)cn1 116493203 YFAHLPUYARQHTC-LBPRGKRZSA-N 328.420 2.529 0 50 EFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C)C[C@@H]1CCC[C@H]1O 248768722 XLWVSKGAPOVAKM-DUVNUKRYSA-N 336.480 2.810 0 50 EFAA CNC(=O)CC1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 67981694 CEJMCTZAJKSZLU-UHFFFAOYSA-N 338.455 2.800 0 50 EFAA CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CCCCCC2)c1 20458047 VQYWRZYEDUWSBK-UHFFFAOYSA-N 330.837 2.728 0 50 EFAA CCOCCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65504083 MDBNVMWJOIYKDT-RBUKOAKNSA-N 327.424 2.943 0 50 EFAA CC(C)(O)[C@@H]1CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 125915147 SKHZQZCRNDFYBE-HNNXBMFYSA-N 338.814 2.795 0 50 EFAA Cc1nc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)cs1 12023042 LJCYKTCEOVUIMH-GOSISDBHSA-N 349.500 2.952 0 50 EFAA C[C@@H](COc1ccc2ccc(=O)oc2c1)NCc1cn2ccccc2n1 67712909 VAWWXLJNYGCIKW-AWEZNQCLSA-N 349.390 2.998 0 50 EFAA O=C(NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1)c1cncs1 67673349 PCYUCPZLKBXWLQ-CYBMUJFWSA-N 340.452 2.876 0 50 EFAA O=C([C@H]1CCCN1C1CCOCC1)N1CCc2ccc(Cl)cc21 152144090 JLIFTBRWDSYIHL-MRXNPFEDSA-N 334.847 2.873 0 50 EFAA COCCOc1ccccc1C(=O)N(C)C1Cc2ccccc2C1 253417305 PIVHGWPHFHFQDB-UHFFFAOYSA-N 325.408 2.951 0 50 EFAA COc1c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)c(C)nn1C 257365692 GYNUUGNUCWCSME-JYJNAYRXSA-N 340.427 2.599 0 50 EFAA COc1ccccc1-n1cc(CN2CC(N3CCCC[C@@H]3C)C2)cn1 72133664 VMARGXKQDOAXRE-INIZCTEOSA-N 340.471 2.940 0 50 EFAA CCNC(=O)c1cccc(CNC(=O)N2CCCC[C@H](SC)C2)c1 126477145 UYZSTBTVEJMKAF-INIZCTEOSA-N 349.500 2.863 0 50 EFAA Cc1ccccc1-c1cc(NC(=O)N[C@H]2CCCC[C@H]2O)n(C)n1 153552030 MIEMWHHQJKEYRS-GOEBONIOSA-N 328.416 2.821 0 50 EFAA C[C@@H]1CN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C[C@@H](C)N1 153673550 LTUXQXKNWGSBPV-CHWSQXEVSA-N 347.459 2.624 0 50 EFAA CNC(=O)c1cccc(NC(=O)N2CCC(C3CCOCC3)CC2)c1 155870423 HIDWUJCCMHESNO-UHFFFAOYSA-N 345.443 2.717 0 50 EFAA O=C(Nc1ccc2oc(=O)ccc2c1)N[C@H]1c2ccccc2C[C@H]1O 368894603 WLZGPGDEPCEJIU-QAPCUYQASA-N 336.347 2.573 0 50 EFAA Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCNC2 34928765 OYZJSKURBLUPEI-UHFFFAOYSA-N 346.434 2.913 0 50 EFAA Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)CCC2 372132224 PONDFRVHGMCJDH-GFCCVEGCSA-N 339.848 2.701 0 50 EFAA Cc1cc(NC(=O)[C@H](C)N2CCCN(CC3CCCCC3)CC2)on1 334037218 NNIBIDACPVDQRF-INIZCTEOSA-N 348.491 2.898 0 50 EFAA CCOCCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 72163348 PAURHFGGLBDVKP-HMXCVIKNSA-N 342.483 2.810 0 50 EFAA CN1C[C@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)CC2)OC1=O 72134701 CSVPEQOTZURWND-OAHLLOKOSA-N 338.795 2.574 0 50 EFAA O=C(O)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 238042549 AFDLATZLBDNMGG-UHFFFAOYSA-N 340.379 2.597 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(C)c1 72473102 NZHIWJIAUQIDIA-IBGZPJMESA-N 343.515 2.808 0 50 EFAA COCCn1cc(CNC(=O)c2cc(Cl)sc2Cl)cn1 337133067 LUEMTFNWASMKMI-UHFFFAOYSA-N 334.228 2.828 0 50 EFAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccccc1Br 241720902 QTGJNYAMKOGTBG-SWLSCSKDSA-N 339.277 2.790 0 50 EFAA Cn1ccnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1=O 242183928 XDBILSICFIQGHV-ZDUSSCGKSA-N 340.210 2.665 0 50 EFAA Cc1csc(CCCC(=O)NCc2cccnc2-n2ccnc2)n1 242191257 XECHANSRWNIGBI-UHFFFAOYSA-N 341.440 2.671 0 50 EFAA COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 242140797 WPIPQWWGVTWTLF-SJORKVTESA-N 342.443 2.638 0 50 EFAA CCc1ccccc1N1C[C@H](C(=O)Nc2cnccc2OC)CC1=O 131412743 DZPKREFLHKIBJH-CQSZACIVSA-N 339.395 2.644 0 50 EFAA O=C(NCc1coc2ccccc12)N1CCO[C@]2(CCCOC2)C1 286644843 JEPQXTGMKKNMBF-GOSISDBHSA-N 330.384 2.524 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)NCc1ccn2ccnc2c1 178380099 MTEATRGRJCBXQH-UHFFFAOYSA-N 339.399 2.624 0 50 EFAA Cc1c(CN2CCC[C@H](N(C)CCc3ccccc3)C2)cnn1C 19788800 FDRRJASMFWHARC-FQEVSTJZSA-N 326.488 2.867 0 50 EFAA CCc1ncc(C(=O)N[C@@H](CC(=O)O)c2cccc(Cl)c2)cn1 95496764 WOOZFXCAWUJUNH-ZDUSSCGKSA-N 333.775 2.638 0 50 EFAA C[C@@H]1CCN(CC(=O)N(Cc2ccccc2)Cc2nccs2)C1=O 95524778 UDFPYQVQEVLAPM-CQSZACIVSA-N 343.452 2.540 0 50 EFAA CCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 334160370 CFXAXNUAESJSEE-DOTOQJQBSA-N 349.475 2.729 0 50 EFAA CN(Cc1ccc(Cl)nc1)C(=O)c1cnc(-c2ccncc2)nc1 95390640 LMKCNFTXSYWTHT-UHFFFAOYSA-N 339.786 2.859 0 50 EFAA Cc1cc(C)nc(N2CCC(c3nccn3CCCN(C)C)CC2)n1 95364395 VYGBHIJAAHIYAL-UHFFFAOYSA-N 342.491 2.626 0 50 EFAA Cc1ccc(F)cc1[C@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95383107 XSZVPSZUFLTOBD-QGZVFWFLSA-N 348.418 2.594 0 50 EFAA Cc1nnc(CN2C[C@H](C3CC3)[C@@H](NC(=O)CC3CCCC3)C2)s1 91871637 YLEGGLVYFZRHJA-CVEARBPZSA-N 348.516 2.753 0 50 EFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1 95511856 NIXBLXHMNGWYNZ-QGZVFWFLSA-N 344.455 2.698 0 50 EFAA c1cnn(Cc2nnc(C3CCN(CC4CCC4)CC3)n2C2CC2)c1 91493328 UQEJQNJNBGICRK-UHFFFAOYSA-N 340.475 2.837 0 50 EFAA COc1ccccc1-c1ncc([C@H]2CC(=O)Nc3nc(N)ccc32)cn1 91469039 NPCCQQRKNNRMIG-CQSZACIVSA-N 347.378 2.604 0 50 EFAA CCc1nc(C)sc1C(=O)N1CCN(c2ncccc2C)CC1 91304226 NPRNYEDFBZVNKN-UHFFFAOYSA-N 330.457 2.680 0 50 EFAA CCc1nc(CN2C(=O)[C@H](CC(=O)OC)Oc3ccccc32)cs1 95373065 UXAPHZJLINJVDB-AWEZNQCLSA-N 346.408 2.563 0 50 EFAA CC(C)N1CCC[C@]2(CCN(C(=O)c3cccn3C3CC3)C2)C1=O 91943358 LGBZDKJCFFFHGG-LJQANCHMSA-N 329.444 2.686 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 299745309 XUHZTQUQKLPSSJ-WXHSDQCUSA-N 327.302 2.742 0 50 EFAA CN1CC[C@@H](N(C)C(=O)c2cccc(-c3cnc(N)c(Cl)c3)c2)C1 534670089 MUWYKKBDVNZUBF-OAHLLOKOSA-N 344.846 2.760 0 50 EFAA CCN([C@H]1CCCNCC1)S(=O)(=O)C1=Cc2ccccc2CC1 864094359 SHQZRHIMWQLHST-KRWDZBQOSA-N 334.485 2.768 0 50 EFAA Cc1nc(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)c(C)s1 299796448 NZTBTXUDDNZBGO-UHFFFAOYSA-N 335.473 2.671 0 50 EFAA CNc1nc(NCCCc2c(C)noc2C)cc([C@@H]2CCOC2)n1 299768169 JWCFAKFAIUUZFS-CYBMUJFWSA-N 331.420 2.672 0 50 EFAA C[C@H](C(=O)N(C)CCN1CCCCCC1)n1cnc2ccccc21 827654560 SCRHZXUWRNZWDO-MRXNPFEDSA-N 328.460 2.932 0 50 EFAA c1ccc(-c2nn[nH]c2-c2noc(Cc3cnn4c3CCCC4)n2)cc1 1875285996 JSSJOJGVWJGPJY-UHFFFAOYSA-N 347.382 2.645 0 50 EFAA COc1ccccc1CN=c1[nH]cnc2c(Br)c[nH]c12 1875330662 XMVXDDOJYMNHTQ-UHFFFAOYSA-N 333.189 2.763 0 50 EFAA COc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)ccn1 952986342 LHFZTZGPXHNSKL-AWEZNQCLSA-N 328.368 2.900 0 50 EFAA COc1ccc(CNCCN2CCCC[C@@H]2CO)c2ccccc12 952984108 ODQFXVBJMIFTCT-QGZVFWFLSA-N 328.456 2.785 0 50 EFAA O=C(Cc1cc(-c2ccccc2)on1)N1CCOC[C@H]1CC1CC1 886464411 VMNLFLWSPIKMKI-QGZVFWFLSA-N 326.396 2.912 0 50 EFAA CCOC(=O)[C@@H]1Cc2cccc(F)c2N(Cc2nnc(C3CC3)o2)C1 888100864 GHZLLPCQHKEBJR-CYBMUJFWSA-N 345.374 2.828 0 50 EFAA O=C(N[C@@H]1CCCN(c2cc(O)ncn2)C1)c1ccc2ccccc2c1 892883028 SBBUCQYYWSPXPO-QGZVFWFLSA-N 348.406 2.734 0 50 EFAA Cc1ccn(C2CCN(C(=O)c3conc3C(F)(F)F)CC2)n1 1775988090 DHBVTZRUHPBTHW-UHFFFAOYSA-N 328.294 2.676 0 50 EFAA O=C(N[C@@]12CCCN(CC1)C2)c1c[nH]nc1-c1ccc(Cl)cc1 1364527450 XQMRMJQYQRKIRH-KRWDZBQOSA-N 330.819 2.698 0 50 EFAA COc1ccccc1C1(CNC(=O)Cc2c(C)nn(C)c2C)CCC1 185915458 OQKLTUYUHXJZPR-UHFFFAOYSA-N 341.455 2.826 0 50 EFAA CCOc1cc(N2CC[C@H](CN(C)Cc3scnc3C)C2)ncn1 275533026 DUTDCOVATWNKLH-CQSZACIVSA-N 347.488 2.599 0 50 EFAA Cn1c(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)nnc1C1CC1 276101285 WKIAFWPAWKJLJS-INIZCTEOSA-N 340.475 2.642 0 50 EFAA Cc1cc(F)ccc1NC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C 170603804 SXCIIFAYDMTWKB-UHFFFAOYSA-N 340.358 2.906 0 50 EFAA CNc1cc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc(Cl)n1 170651345 UEMWXTMKZZTSII-UHFFFAOYSA-N 340.792 2.581 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)oc2C)c(C)c1 170617160 WOCNGGWZLVQSRJ-UHFFFAOYSA-N 339.369 2.794 0 50 EFAA COc1ccccc1[C@H]1CCCN1C(=O)Cn1c(C)c(C)sc1=O 171193307 FQIRBQCGDZIBEE-OAHLLOKOSA-N 346.452 2.899 0 50 EFAA COCCOc1ccc(NC(=O)N[C@H]2C[C@H](O)C2(C)C)cc1Cl 188688523 VINJYALEDMSJDN-KBPBESRZSA-N 342.823 2.646 0 50 EFAA C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(O)c(Cl)c1 111667257 VNTOKCWDRZQSDE-LLVKDONJSA-N 348.786 2.568 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cnc(C)o3)cc2)C1 192539819 KBBIECIRPPQAJV-HNNXBMFYSA-N 327.384 2.847 0 50 EFAA CC(C)(NC(N)=O)c1cn(-c2ccc(Cl)cc2C(F)(F)F)nn1 656435011 CWUUGOKHKOXYPJ-UHFFFAOYSA-N 347.728 2.843 0 50 EFAA Cc1[nH]c2ccc(C(=O)N(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)cc2c1C 1704337184 SFNIDEFDQKHHFA-OWCLPIDISA-N 339.439 2.771 0 50 EFAA Cc1ccc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 212233061 ZGGLCEDEBMHJCS-SJORKVTESA-N 339.391 2.714 0 50 EFAA O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772700861 GOEBTWMDHQLHNY-BMIGLBTASA-N 344.194 2.557 0 50 EFAA COCCc1nc2ccc(C(=O)N(C)[C@H](C)c3ccon3)cc2o1 11661978 SDPZKSUZTXKGPX-LLVKDONJSA-N 329.356 2.838 0 50 EFAA CC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12711498 QIRWWHSXMTVRKE-KRWDZBQOSA-N 338.492 2.737 0 50 EFAA CCCCNC(=O)c1sc2ncnc(NCCCOC)c2c1C 14952255 VTETUVHAOMZFAP-UHFFFAOYSA-N 336.461 2.978 0 50 EFAA COc1ccc(C[C@@]2(CCC(=O)NC(C)(C)C)CCC(=O)N2)cc1 15071935 NAKJUNIYIIURJB-LJQANCHMSA-N 332.444 2.581 0 50 EFAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccc(C(F)(F)F)cc2)n1 1857670978 KKAUUJFNZHLFMP-NSHDSACASA-N 348.332 2.916 0 50 EFAA C[C@H]1CN2C[C@H](NC(=O)Cc3ccc(Cl)c(Cl)c3)C[C@H]2CO1 1857707604 FVQJLIKAKSZLHL-UHTWSYAYSA-N 343.254 2.514 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2ccccc2C(F)(F)F)CC[C@@H]1O 1857737528 REISATUQNDWFHI-HOCLYGCPSA-N 345.361 2.691 0 50 EFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nccc3ccccc13)C[C@@H]2O 1857738311 BPBHPESFTUKNHK-XAPVIXHLSA-N 346.430 2.808 0 50 EFAA COc1c(C(=O)O)cc(-c2cnn3ccccc23)c(OC)c1OC 1875246928 HRSAJICCIVDSGT-UHFFFAOYSA-N 328.324 2.725 0 50 EFAA O=C(c1ncccc1O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210313928 LRZYPOKLUSPZRC-MJGOQNOKSA-N 348.402 2.931 0 50 EFAA CC(C)Cn1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cn1 423616601 WKUVRZAQMCSBPK-QGZVFWFLSA-N 346.862 2.979 0 50 EFAA COc1ccc(-c2ccc(C(=O)N3CC[C@@H](N)C3)c(F)c2)c(F)c1 237415068 QFDLWITVGRCJHN-GFCCVEGCSA-N 332.350 2.814 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1 238198707 MDUOMOOTWIXOOY-CYBMUJFWSA-N 349.383 2.870 0 50 EFAA O=C(CN1C(=O)CCCc2ccccc21)NCCOc1ccccc1 339651302 MGJGQBDRSKOREM-UHFFFAOYSA-N 338.407 2.551 0 50 EFAA CO[C@@H]1C[C@@H](CO)N(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)C1 345339364 ZFWOHWHKQDKBEX-JKSUJKDBSA-N 339.863 2.907 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cnc2cc(Cl)ccc2c1O 248144298 RFYXRUHPVXKOFQ-YPMHNXCESA-N 345.830 2.760 0 50 EFAA CCCNC(=O)c1cccc(C(=O)N2CCC(c3ccn[nH]3)CC2)c1 133960019 SEIVYXQLXWLKPK-UHFFFAOYSA-N 340.427 2.569 0 50 EFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)c(F)c(F)c2)C1 379249929 BNCVZQKRSYSMJJ-OIBJUYFYSA-N 326.240 2.598 0 50 EFAA C[C@@H]1C[C@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1 262771903 BHNGDVPYXYNACI-KDOFPFPSSA-N 337.423 2.512 0 50 EFAA COc1cc(C(=O)N(C)C2CCC(OC)CC2)cc(OC)c1OC 265215741 RLQQISOOZMUIRF-UHFFFAOYSA-N 337.416 2.742 0 50 EFAA CCc1ccc([C@@H]2COCCN2C(=O)c2cn3ccccc3n2)o1 265467360 VYKZTNWOGQDCTF-HNNXBMFYSA-N 325.368 2.703 0 50 EFAA O=C(Nc1nnc(-c2ccco2)s1)N1CCC2(CCOCC2)C1 266357889 IPPIQSMRIAASSH-UHFFFAOYSA-N 334.401 2.833 0 50 EFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCC(=O)N1C 906277651 MJTHHUFPMQXSPB-CYBMUJFWSA-N 328.334 2.675 0 50 EFAA CCN1CCC[C@H](N[C@@H](C)CC2CN(C(=O)OC(C)(C)C)C2)C1 1776006240 QETNNJQQXPXTIN-HOCLYGCPSA-N 325.497 2.706 0 50 EFAA CSc1nc(C)cc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 533188 OUWWEDGXDGSGMT-UHFFFAOYSA-N 326.381 2.845 0 50 EFAA COc1ccc(Br)c(C(=O)NC[C@@H]2CC[C@H](C)N2C)c1 408515381 BSMFTXSATMUNBR-QWRGUYRKSA-N 341.249 2.670 0 50 EFAA O=C(O)[C@@H](O)C1CCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 2325787546 GQFYRNVTLNRNGB-SFHVURJKSA-N 344.386 2.545 0 50 EFAA CC(C)[C@@H](Sc1ccccc1)C(=O)N=[S@@](C)(=O)CCCO 2325804179 YUCOXAZUAZWHNV-SZNDQCEHSA-N 329.487 2.810 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1)[C@H](C)c1ccc(F)cc1 2325807653 KEACTUJDJCBACZ-IHRRRGAJSA-N 345.422 2.560 0 50 EFAA CSc1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)nc2O)s1 2325854447 FAOLVRVVIUWQAN-AJDRMPRJSA-N 349.458 2.717 0 50 EFAA CC(C)C[C@@H](C)S(=O)(=O)N1CCc2cc(C(=O)O)ccc2C1 926605059 PZHANOQAOMMGHR-GFCCVEGCSA-N 325.430 2.507 0 50 EFAA CC1=NN(C(=O)C(C)C)[C@@](O)(c2ccc(Br)cc2)C1 108364 RSMMIOMJVUYICO-AWEZNQCLSA-N 325.206 2.858 0 50 EFAA COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1OC 292927 NBAZBKAYEICCIF-UHFFFAOYSA-N 337.379 2.966 0 50 EFAA Cc1ccc(Cl)cc1N1C(=O)C[C@@H](Sc2ncccn2)C1=O 476282 AIZDTYHICOWUOZ-GFCCVEGCSA-N 333.800 2.863 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(O)c2C)C1=O 2356147335 RUBIYBPSRFHDBP-LJQANCHMSA-N 330.428 2.708 0 50 EFAA Cc1ccc(CN(C(=O)c2ccccc2C)[C@@H]2CCS(=O)(=O)C2)o1 4858343 WDFHVVVIGRWEFK-OAHLLOKOSA-N 347.436 2.726 0 50 EFAA CCOc1ccccc1NC(=O)c1nnn(-c2cccc(C)c2)c1N 4984838 PIAXSHGAKHHVTR-UHFFFAOYSA-N 337.383 2.809 0 50 EFAA O=C(O)CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6698408 VMYHHRFCEACKGL-UHFFFAOYSA-N 331.199 2.507 0 50 EFAA CCN(Cc1noc(C)n1)[C@@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55198092 RKYHUGWZXGGABL-OAHLLOKOSA-N 333.388 2.651 0 50 EFAA Cc1ccc(C(=O)Nc2ccccc2F)cc1N(C)S(C)(=O)=O 67601785 MIBSLCFYQZDBQY-UHFFFAOYSA-N 336.388 2.782 0 50 EFAA Cc1ccc(N2CCC(n3cc(Cc4ccccc4)nn3)CC2)nn1 23543804 OSWIHDLUMLXCBE-UHFFFAOYSA-N 334.427 2.809 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252536078 HOLIREIHHOPJCI-PSTGCABASA-N 336.505 2.850 0 50 EFAA CCC[C@@H](NC(=O)Cc1ccoc1)C(=O)N1CCc2sccc2C1 122737329 KYCFIIGCISUCCO-OAHLLOKOSA-N 346.452 2.753 0 50 EFAA O=C(c1cscn1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 23339747 VHGOGBCETUXBMO-UHFFFAOYSA-N 345.472 2.945 0 50 EFAA CC(C)c1cnc(CNC[C@@H]2CCn3ncc(C(=N)O)c3C2)s1 328647186 TUPINYLJYXPFAV-LLVKDONJSA-N 333.461 2.699 0 50 EFAA CN(C[C@@H]1CCCN1C)C(=O)Nc1ncc(C2CCOCC2)s1 333854816 OHRABOTZHFFXAJ-ZDUSSCGKSA-N 338.477 2.595 0 50 EFAA Cc1c(CN2CC[C@@H](CNC(=O)c3cnco3)C2)oc2ccccc12 67675815 WVCYXMGAJYMOIY-AWEZNQCLSA-N 339.395 2.981 0 50 EFAA COc1ccccc1CCNC(=O)c1cc(C)nc2c1c(C)nn2C 24257069 VWIMPLRVQWSYDA-UHFFFAOYSA-N 338.411 2.566 0 50 EFAA Cc1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c2ccccc2n1 253394817 ASZPSNLZEJVHDV-SXLOBPIMSA-N 326.440 2.905 0 50 EFAA C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1 356721307 ACFHYLANSJAZEF-JOCHJYFZSA-N 346.433 2.773 0 50 EFAA CC(C)(C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 152591104 SSXLUTZEDGKJAA-KRWDZBQOSA-N 333.476 2.530 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)Cc2cc(C)[nH]n2)cc1OC 152768515 DINXKPXSLXZJNO-HNNXBMFYSA-N 329.400 2.642 0 50 EFAA CC(C)(C)OC(=O)NCC1CCN(c2nccnc2Cl)CC1 73737328 KWMQJUPBRIARMP-UHFFFAOYSA-N 326.828 2.871 0 50 EFAA CCCc1nc(C(=O)N2CCC(Oc3ncccn3)CC2)cs1 214990585 IPBPQJLREPPIMA-UHFFFAOYSA-N 332.429 2.569 0 50 EFAA C[C@@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@@H]1N1CCOCC1 173826806 BKAWKEHLZRWHMQ-UZLBHIALSA-N 338.451 2.561 0 50 EFAA CC[C@@]1(O)CCN(C(=O)c2cc(C)oc2-c2ccccc2)C[C@H]1O 72439224 GTQJSTOWGGEOHX-VQIMIIECSA-N 329.396 2.603 0 50 EFAA O=C(c1ccc(Br)o1)N1CCC[C@@H]2CNCCC[C@@H]21 366446714 KFCBDECLDFPYBJ-MNOVXSKESA-N 327.222 2.646 0 50 EFAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCC(C)(C)C)C1 71753825 YPMZFNBJDPNYNM-UHFFFAOYSA-N 339.443 2.901 0 50 EFAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccoc2)CC1 72408747 WOCOLPHADKMUOM-UHFFFAOYSA-N 329.352 2.726 0 50 EFAA CO[C@H]1CCCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C1 215185360 YXCWCURIGUBGAX-KRWDZBQOSA-N 334.460 2.591 0 50 EFAA CO[C@@H](C(=O)N1CCOC[C@H]1c1nc2ccccc2s1)C1CC1 334117467 IIPSYSLGGUOQOQ-DZGCQCFKSA-N 332.425 2.621 0 50 EFAA CN(CC[C@H](O)c1ccccc1)Cc1cnc(N2CCOCC2)s1 215813530 SNOTTXSGMYIFFM-KRWDZBQOSA-N 347.484 2.535 0 50 EFAA Cn1cncc1CNC[C@@H]1CCN(c2ccc(Br)cc2)C1 237932453 KMWNJLYVOLKQIV-ZDUSSCGKSA-N 349.276 2.799 0 50 EFAA Cn1cncc1CN[C@H]1CCN(c2ccc(Br)cc2)C1 237944888 OCOIQODIXISQKL-ZDUSSCGKSA-N 335.249 2.551 0 50 EFAA O=C(NCc1noc(C2CC2)n1)c1cccn1Cc1cccs1 343479317 IQBDBYZTRWYAHW-UHFFFAOYSA-N 328.397 2.788 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(O)nc3ccccc23)C1 238016791 YCXIKGFWSOKGQW-GFCCVEGCSA-N 328.368 2.657 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N1CCO[C@@H](c2nccs2)C1 130079793 GDQGYWVZVSMSII-LLVKDONJSA-N 334.401 2.922 0 50 EFAA Cn1cc(C(=O)NC2CCC(C(=O)O)CC2)c(-c2cccs2)n1 262230665 VIPFLOFCAVPCNY-UHFFFAOYSA-N 333.413 2.522 0 50 EFAA CC(=O)Nc1ccsc1C(=O)N(C)Cc1nc2ccccc2n1C 71753104 HFLBSYDIVQOIAR-UHFFFAOYSA-N 342.424 2.865 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 263016256 IGUFSIJABVMTAY-QMMMGPOBSA-N 348.733 2.922 0 50 EFAA O=C(Cc1cccc(Cl)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 159162071 XGMOIBIALQFGSF-JKSUJKDBSA-N 349.814 2.827 0 50 EFAA COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(O)c3ccccc3c1)CC2 241657619 PXUFQABOBIYKDN-INIZCTEOSA-N 339.391 2.961 0 50 EFAA COCCOc1cccc(NC(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 76333157 JUQIJZGEXNNKLU-AWEZNQCLSA-N 346.431 2.735 0 50 EFAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1nccnc1N 286707523 CJJLUDKBNKEJTR-TZMCWYRMSA-N 326.400 2.681 0 50 EFAA COc1cccc(F)c1C(=O)NCc1csc(-c2cnccn2)n1 222510959 MANPIMGQEWVDQQ-UHFFFAOYSA-N 344.371 2.678 0 50 EFAA OCCn1ccc([C@@H]2CCCN(Cc3cccc(O)c3Cl)C2)n1 426389869 QECUEAIMKBCYJF-CYBMUJFWSA-N 335.835 2.614 0 50 EFAA C[C@]1(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CCCC[C@@H]1O 178368938 FKYCPEWFJDRHTQ-CMKODMSKSA-N 330.472 2.708 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCc1coc(-c2ccccc2)n1 82093873 IXXDBSRUDUCPHE-UHFFFAOYSA-N 338.411 2.941 0 50 EFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1 82087665 GELITRKMVSENPD-GFCCVEGCSA-N 344.798 2.923 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)CN1C(=O)c2ccccc2C1=O 20045221 DXQGLQUTCHKSSP-UHFFFAOYSA-N 346.390 2.558 0 50 EFAA C[C@@H](CN(C)C)NC(=O)N(C)CCCOc1ccccc1Cl 426434166 VRYKNSOQSMKAQF-ZDUSSCGKSA-N 327.856 2.700 0 50 EFAA COCCN(Cc1ccc(C)cc1)c1cc([C@@H]2CCOC2)ncn1 426518868 XZMGYYSKNUWSPT-QGZVFWFLSA-N 327.428 2.942 0 50 EFAA CC[C@H](C)[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C)C(=O)O 334160837 NJBVEHFDIDGBRB-QFYYESIMSA-N 347.390 2.682 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91860882 DBBIHTQGKDCCLE-UHFFFAOYSA-N 329.444 2.578 0 50 EFAA Cc1ccc([C@@H](C(=O)N(C)CCc2c(C)n[nH]c2C)N(C)C)cc1 95361588 JLLQWBQLWUQHLL-SFHVURJKSA-N 328.460 2.639 0 50 EFAA O=C(CCCc1nc(-c2ccco2)no1)N[C@@H](CO)c1ccccc1 230215386 JYAOCYLMBXUEGB-AWEZNQCLSA-N 341.367 2.502 0 50 EFAA O=C(NCCC1=CCCCC1)N1CCC[C@@H](c2cc(O)ncn2)C1 426584841 RJRXZPSYMNPDGI-OAHLLOKOSA-N 330.432 2.962 0 50 EFAA CN1Cc2ccc(CN(C)C(=O)CC[C@H]3CCCN(C)C3)cc2C1 95360881 XXHIWFOVMQXBBZ-MRXNPFEDSA-N 329.488 2.712 0 50 EFAA CCCc1cc(C(=O)NCCCN2CCCc3ccccc32)[nH]n1 97527360 HGBQUCRAMMBNER-UHFFFAOYSA-N 326.444 2.935 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 91988047 OQHLFKZYQNSFEX-LBPRGKRZSA-N 347.415 2.895 0 50 EFAA CCc1nnc(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)s1 91807079 PYKSPJIUNRYBAR-UHFFFAOYSA-N 331.376 2.560 0 50 EFAA CN(C)c1ncc(-c2c(-c3ccccc3)ncn2CC(=O)O)s1 91951413 UOIXBBRIWXKJBB-UHFFFAOYSA-N 328.397 2.824 0 50 EFAA Cc1ccc2nc(C(=O)NCC[C@H]3COc4ccccc4O3)cn2c1 91364876 VKVAUVNZCKJOSD-AWEZNQCLSA-N 337.379 2.603 0 50 EFAA CC(C)OCCN1CCN(c2ccc(-c3ccncc3)cn2)CC1 863949156 NGZLDDHCRUUFES-UHFFFAOYSA-N 326.444 2.691 0 50 EFAA COc1ncncc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 183224524 ANPAVMHYHKXOSC-AWEZNQCLSA-N 344.419 2.974 0 50 EFAA CCCc1noc([C@H](C)NC[C@H]2CCO[C@H]2c2cnn(CC)c2)n1 299754073 WFZPPLRNZOIXMK-WOSRLPQWSA-N 333.436 2.667 0 50 EFAA CC(C)n1ccnc1CN[C@H]1CCC(=O)N(Cc2ccccc2)C1 534658784 PETPFZXCDMTKBP-KRWDZBQOSA-N 326.444 2.745 0 50 EFAA CN(CCc1noc(C2CC2)n1)C(=O)Nc1cccc2[nH]ncc12 299789330 ZOOBJATUPUHPFM-UHFFFAOYSA-N 326.360 2.530 0 50 EFAA CSc1ccccc1-c1cccc(C(=O)N2CC[C@](O)(CO)C2)c1 299778350 QIGBHWCMSGPJSP-LJQANCHMSA-N 343.448 2.645 0 50 EFAA CCc1nc([C@H]2CCCCN2C(C)=O)n(Cc2ccc(OC)cc2)n1 823560461 AMYFMLCXNAEUPV-QGZVFWFLSA-N 342.443 2.971 0 50 EFAA C[C@H]1C[C@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCO1 271273569 OVLRTEIWASUAGA-WCQYABFASA-N 346.349 2.994 0 50 EFAA Cc1ccc([C@@]2(O)CCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)cc1 1875296804 PVIDBWKNGXOUII-OAQYLSRUSA-N 337.419 2.852 0 50 EFAA CC1(C)[C@@H](O)C[C@H]1CN=c1[nH]c(-c2cccnc2)nc2ccccc12 1875288026 KVLHOWRVAFQDGQ-YOEHRIQHSA-N 334.423 2.933 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 1875373561 GCUWSJFCPMDMDC-HNNXBMFYSA-N 343.471 2.638 0 50 EFAA C[C@H](Nc1ncccn1)[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 1875335870 JPDJVNJFIIMVBE-WBAXXEDZSA-N 336.439 2.998 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 952988825 KXVQZGAVBZKGMR-ZDUSSCGKSA-N 347.864 2.928 0 50 EFAA CCc1cnccc1[C@@H](C)NC(=O)c1c[nH]nc1C1CCOCC1 886089134 ZLDUQKJWDWMEIJ-GFCCVEGCSA-N 328.416 2.752 0 50 EFAA C/C(=C\c1ccccc1)CN[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886079702 VHHAIGVCFYPPKN-UIHQOOLSSA-N 338.455 2.775 0 50 EFAA Cc1ccc(OCC(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c(C)c1 886041392 QATZUAQDBIFFRW-OCCSQVGLSA-N 330.350 2.563 0 50 EFAA Cc1ccc(F)c2[nH]c(C(=O)N[C@H]3CCOC34CCOCC4)cc12 890452166 NDKFBEGPOXCBJL-HNNXBMFYSA-N 332.375 2.683 0 50 EFAA CCNC(=O)N1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 891529447 QWZLFDVSSNAASC-UHFFFAOYSA-N 340.427 2.721 0 50 EFAA Cc1nc(CC(C)C)c(C(=O)N2CC[C@@](CF)(C(=O)O)C2)s1 1775996657 BZDWMCANDPGYFT-HNNXBMFYSA-N 328.409 2.536 0 50 EFAA O=C(O)[C@]1(n2cc(Br)cn2)CCOC2(CCCCC2)C1 1776004216 OUSNNVGEFMAWRY-AWEZNQCLSA-N 343.221 2.939 0 50 EFAA Cc1cccc2nc(NCCc3nc(C4CCOCC4)n[nH]3)oc12 1336697721 GABWAEVRLNWMRL-UHFFFAOYSA-N 327.388 2.803 0 50 EFAA COc1ccc(OCCCN)c(C(=O)N2C[C@H]3CC(C)=CC[C@H]3C2)c1 1565528769 KRULQKNVTPGGRQ-JKSUJKDBSA-N 344.455 2.851 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ncc[nH]4)no3)C2)cc1 274003584 UBKQIRMAOOEFCL-CQSZACIVSA-N 337.383 2.788 0 50 EFAA Cc1nnc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)s1 678624632 GZUUZXZAEOXYRF-CYBMUJFWSA-N 331.363 2.863 0 50 EFAA O=c1[nH]c(/C=C/c2cnn(Cc3ccc(F)cc3)c2)nc2cnccc12 170602120 NRYVUOBISYNDAG-ZZXKWVIFSA-N 347.353 2.872 0 50 EFAA Nc1ncnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1Cl 302874194 DENBGDOFWSYBBO-LLVKDONJSA-N 326.734 2.568 0 50 EFAA Cc1cc(C)n(CC(=O)N2CC3(CCOCC3)c3ccccc32)n1 189814040 GIBVSCMJNMTXMH-UHFFFAOYSA-N 325.412 2.595 0 50 EFAA C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1 225404404 AOQLPPYICKFMIJ-CZUORRHYSA-N 330.428 2.734 0 50 EFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1nn[nH]c1-c1ccccc1 194229909 UDNOWSRXDWCQAP-AWEZNQCLSA-N 336.351 2.540 0 50 EFAA Cc1nc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c(C)s1 663149798 ZJKLOPCQWLNONK-MRXNPFEDSA-N 330.409 2.513 0 50 EFAA CCCc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C)C3)CC2)o1 1529154163 YKSVCEYKYNZDQA-KRWDZBQOSA-N 347.503 2.608 0 50 EFAA O=C(O)CCCN1CCO[C@@H](c2ccccc2Br)C1 116390192 NWDQNSMSIKIFQJ-CYBMUJFWSA-N 328.206 2.687 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CC3)CCN21 1615965818 MTUKZJSVLRHBIA-MOPGFXCFSA-N 342.483 2.738 0 50 EFAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCOC1)C2 12026812 QUEYEVMQTGTAKL-JKSUJKDBSA-N 338.407 2.513 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2cn(Cc3ccccc3Cl)nn2)CCO1 12052655 FXJFDWMNVIRXEA-ZDUSSCGKSA-N 348.834 2.667 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CC)C2=O)cc1 13404070 DEYMRGFPFBMRFM-YOEHRIQHSA-N 330.428 2.982 0 50 EFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccoc1 15067859 WZRSIVDYCCDXBU-QGZVFWFLSA-N 334.375 2.964 0 50 EFAA Cc1cc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc(C)c1Cl 19781867 QGQDKOATNVCHBW-RBSFLKMASA-N 327.852 2.806 0 50 EFAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(C(F)F)nc2)o1 1857528862 HWUPEJIYRBYDRI-ZBEGNZNMSA-N 334.326 2.862 0 50 EFAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cccc2ccccc12 1857716147 YRJYBLINKAFXDH-ZWOKBUDYSA-N 336.435 2.821 0 50 EFAA O=C(NCC1(c2cccc(Cl)c2F)CCCC1)[C@]1(O)CCOC1 413750282 AFWAVLKDXNIJEN-KRWDZBQOSA-N 341.810 2.559 0 50 EFAA Fc1cccnc1N1CC[C@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1 127652846 BEUMSVYVPZQWGF-RDJZCZTQSA-N 337.402 2.902 0 50 EFAA CCC(CC)n1nccc1C(=O)N[C@H](C(=O)OC)c1cccc(O)c1 343139319 GBOHCRIQOZEVFG-INIZCTEOSA-N 345.399 2.594 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccccn1 162466880 VJLDYJZOUCJTDS-CYBMUJFWSA-N 341.415 2.504 0 50 EFAA COc1ccc(C[C@@](C)(CO)NC(=O)c2cc3ncccc3o2)cc1 828938215 JJVNLSRIHMQHRB-IBGZPJMESA-N 340.379 2.560 0 50 EFAA COc1ccc([C@@H]2CCCN2Cc2nccc(OC)c2OC)nc1 934343199 HYNKRAUPOFJKGP-INIZCTEOSA-N 329.400 2.840 0 50 EFAA CNC(=O)[C@H](C)CN(C)c1nc(-c2ccccn2)nc2sccc12 858434935 TXFPMXPCIYBPDX-LLVKDONJSA-N 341.440 2.572 0 50 EFAA CC(=O)N1CCC(NCc2ccc(F)cc2Br)CC1 219434246 RSMRSHFBXGGHFI-UHFFFAOYSA-N 329.213 2.689 0 50 EFAA COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CC[C@@H](C)C2 31818 RNQYAAHKVJTRTR-SECBINFHSA-N 331.397 2.702 0 50 EFAA CO[C@@H]1CCN(Cc2cn(-c3ccc4[nH]ccc4c3)nn2)[C@H](C)C1 2325801306 BIXKAOXXXZTKJC-CXAGYDPISA-N 325.416 2.748 0 50 EFAA CNC(=O)Cc1cccc(NC(=O)CCN2[C@@H](C)CCC[C@@H]2C)c1 2325804655 BZLVTQZWZGFBSM-GJZGRUSLSA-N 331.460 2.567 0 50 EFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1 2325811681 RXJBXSHEPHMMNB-BPKGMFCQSA-N 333.476 2.601 0 50 EFAA COc1cc2nccn2cc1-c1cc(NS(C)(=O)=O)ccc1C 2325869651 XEMXAXXWYAKXLT-UHFFFAOYSA-N 331.397 2.690 0 50 EFAA Cc1noc(-c2ccc3c(c2)OCO3)c1I 33142 HFPICHVSRMXILZ-UHFFFAOYSA-N 329.093 2.983 0 50 EFAA COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)cc1 87348 UQBTUZYMEGHSKV-QGZVFWFLSA-N 348.399 2.945 0 50 EFAA CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 145685 FWKVIXPZGCBRLI-UHFFFAOYSA-N 331.397 2.787 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 428647 WAPKAHHUONUUAU-UHFFFAOYSA-N 348.468 2.764 0 50 EFAA COc1cc(C=O)ccc1OCCOc1ccc(C=O)cc1OC 2163887 FXCAWIBAYDHMSX-UHFFFAOYSA-N 330.336 2.787 0 50 EFAA CCOc1ccc(CC(=O)Nc2ccccc2C(N)=O)cc1OCC 2550679 BCKYGTPLUURCBY-UHFFFAOYSA-N 342.395 2.764 0 50 EFAA COc1ccc2[nH]nc(CN3CCC[C@@]4(CCc5c[nH]nc54)C3)c2c1 2356143082 UQQWBVCUVGULFG-LJQANCHMSA-N 337.427 2.775 0 50 EFAA Cc1ccc(Cl)c(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)c1 2356145465 CTBNQTQAWFZTQR-GFCCVEGCSA-N 328.803 2.929 0 50 EFAA COc1ccc(CN2CCC[C@]23CCCNC3=O)c(Cl)c1OC 2356146892 ZEFPPLBRBQEAFL-KRWDZBQOSA-N 338.835 2.602 0 50 EFAA O=C(Cc1ccccn1)N1CCC2(CC1)OCCc1ccsc12 2356155054 VTBADEHNMKRSHT-UHFFFAOYSA-N 328.437 2.776 0 50 EFAA Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)s1 4384506 DTVJWCWUMSARTN-UHFFFAOYSA-N 343.817 2.929 0 50 EFAA CCCCN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 8577601 QTNWTSGOIKOVAQ-CQSZACIVSA-N 326.487 2.673 0 50 EFAA COc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1Cl 105618197 QXVKQALFFVTCSY-UHFFFAOYSA-N 342.269 2.740 0 50 EFAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 54277307 QLWVYJPPHUQMPV-UHFFFAOYSA-N 343.402 2.595 0 50 EFAA Cc1cnn(CCN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 134765854 MKQWLEBRBCZPCY-ROUUACIJSA-N 348.878 2.506 0 50 EFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 59749407 PJWPKKIXMOZPTN-UHFFFAOYSA-N 338.839 2.847 0 50 EFAA C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H]2[C@H](CCCN2C)C1 248128419 OFHVCLIYFSVRHZ-SUMDDJOVSA-N 347.478 2.589 0 50 EFAA CCc1ncnc(CC)c1C(=O)N1CCC(n2cncc2C)CC1 347138747 NUEMNHAAJWFESN-UHFFFAOYSA-N 327.432 2.584 0 50 EFAA Cc1ccccc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 20418813 HMYWXCLCZPGWBJ-UHFFFAOYSA-N 341.430 2.890 0 50 EFAA CCOc1ccc([C@@H](COC)NC(=O)Nc2cn(C)nc2C)cc1 252488564 IUTUXKPTUQXLAR-MRXNPFEDSA-N 332.404 2.636 0 50 EFAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@H]1COCCO1 11841449 FMAWQIKCFCGZKC-INIZCTEOSA-N 335.835 2.588 0 50 EFAA Cc1ccccc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 229653693 UKWLCSCNWATOPQ-OFQRWUPVSA-N 333.457 2.659 0 50 EFAA Cn1c(=O)n(CC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c2ccccc21 229714025 LBKPNTNJLSSQPL-JOTOCRJQSA-N 341.455 2.671 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]2CCO[C@H]21 230217427 IZROXZGWGRVKGP-RRFJBIMHSA-N 345.399 2.578 0 50 EFAA Cc1noc(C)c1CCCNC(=O)c1ccc(N(C)C(C)C)nc1 20909429 SVZJWEFBGWSETD-UHFFFAOYSA-N 330.432 2.894 0 50 EFAA O=C(C1=COCCO1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 253426314 MXSIQXFKIILGKD-LBPRGKRZSA-N 342.317 2.738 0 50 EFAA CN(CCc1ccccc1C(=O)O)Cc1ccc2c(c1)OCCO2 325637353 YPDZGEPXCLIHPN-UHFFFAOYSA-N 327.380 2.831 0 50 EFAA Cn1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c2cc(F)ccc21 1430326 OSJNTIKTWWZWEU-INIZCTEOSA-N 334.358 2.763 0 50 EFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 6730683 QVLAYGXJFWHKFA-RLNQZENFSA-N 348.487 2.600 0 50 EFAA Cc1noc([C@H]2CCN(C(=O)CCc3cn(C)c4ccccc34)C2)n1 329081948 RYTBXYASHVICBH-HNNXBMFYSA-N 338.411 2.818 0 50 EFAA CCCCc1ccc(CN2CCC[C@H]2C(=O)N2CCOCC2)s1 215773572 XHKXQUNZJZLDNL-KRWDZBQOSA-N 336.501 2.914 0 50 EFAA O=C1CCC[C@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)N1 340135863 WQPOFLADLXRPLH-GFCCVEGCSA-N 327.211 2.547 0 50 EFAA Cn1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 492754536 OPTOBHVLFQJNAJ-HBFSDRIKSA-N 340.471 2.504 0 50 EFAA CCc1noc(C2CCC(N[C@H]3CCO[C@@H]3c3ccnn3C)CC2)n1 284767004 YYINXIMLHVEGMY-QKRUXVEJSA-N 345.447 2.512 0 50 EFAA Cc1cc(C(=O)N[C@](C)(CC(=O)O)C(C)C)c2cnn(C(C)C)c2n1 263048621 RYKYHJPBXIMZJX-GOSISDBHSA-N 346.431 2.940 0 50 EFAA Oc1nc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)nc2ccccc12 343229272 YGBKTAYTHVFSOP-BBRMVZONSA-N 325.343 2.787 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1c[nH]c2ccccc12 237972637 IZEMWMSIXUVUEO-ZLIFDBKOSA-N 326.396 2.955 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccs1 238174677 STDOSKFZZMKEMC-GFCCVEGCSA-N 342.376 2.535 0 50 EFAA CN(C)C(=O)CCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 30766051 LIXNGRUYIYBIDF-HZPDHXFCSA-N 346.427 2.537 0 50 EFAA Cc1nc(CCC(=O)N(C)CC2(N3CCCCC3)CCCCC2)n[nH]1 72454645 MOKXDQLLYYHLQS-UHFFFAOYSA-N 347.507 2.693 0 50 EFAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc2nc(S)oc2c1 241383193 MTFXOCUSUASSMV-LERXQTSPSA-N 330.409 2.804 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1F 175867420 VWRSUNIOSMSQLU-OAHLLOKOSA-N 346.406 2.713 0 50 EFAA CN[C@@H](C(=O)N1CC(Oc2ccccc2Cl)C1)c1ccccc1 82120956 OKIIQNRDAUYLBY-QGZVFWFLSA-N 330.815 2.890 0 50 EFAA CC(C)Nc1nc(C(=O)Nc2ccc(Cn3cncn3)cc2)cs1 40285337 ZXDTWNXVLTUGSD-UHFFFAOYSA-N 342.428 2.856 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2ccc(-c3ncccn3)cc2)n1 426399251 PSNNOKRHCOQYQW-HNNXBMFYSA-N 335.411 2.948 0 50 EFAA CN(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)ccc1=O 49549547 DBXYYXVZYZCZOI-UHFFFAOYSA-N 339.420 2.630 0 50 EFAA C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1nncn1C1CCCC1 220720710 NXAWSLGTBMDBHR-CYBMUJFWSA-N 327.432 2.950 0 50 EFAA CCc1nccn1CCNC(=O)c1cccc(-c2ccc(N)nc2C)c1 426420603 KTNXAZHFOLEHHM-UHFFFAOYSA-N 349.438 2.828 0 50 EFAA O=C(c1ccc2c(c1)CCCO2)N(Cc1cocn1)Cc1cocn1 426612695 WHBKAVLMFOMHQJ-UHFFFAOYSA-N 339.351 2.830 0 50 EFAA C[C@@H](c1nc(-c2ccccn2)nn1Cc1ccc(F)cc1)n1cncn1 95506469 NVUYQEKNDRDILR-ZDUSSCGKSA-N 349.373 2.728 0 50 EFAA CCC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1NC(C)=O 95524537 TVMITUMMHSNDFO-SJLPKXTDSA-N 325.412 2.612 0 50 EFAA COC(=O)c1cncc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 180570143 FAAVUHDMASRFQQ-AWEZNQCLSA-N 343.387 2.577 0 50 EFAA CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 181160527 HTKVJNYIEOPFMY-UHFFFAOYSA-N 342.443 2.870 0 50 EFAA CCc1n[nH]c(SCc2ncnn2C2Cc3ccccc3C2)n1 91745869 DILUSXKXMSXVRJ-UHFFFAOYSA-N 326.429 2.591 0 50 EFAA CC(C)Cn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cn1 181664338 CCGWNLBCIIUUTF-UHFFFAOYSA-N 341.459 2.581 0 50 EFAA CN1CC[C@H](NC(=O)c2sc3cccc(F)c3c2Cl)C1=O 91757259 YYLPDSFJSGEVLZ-QMMMGPOBSA-N 326.780 2.654 0 50 EFAA CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91391112 ZVMWPKJSNKVGSC-PKOBYXMFSA-N 339.487 2.785 0 50 EFAA O=C(Cn1ccccc1=O)N(Cc1ccccn1)C1CCCCC1 97681955 NRNUXZUDQCSWBT-UHFFFAOYSA-N 325.412 2.605 0 50 EFAA CN(C)CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 242324478 ZBQSNGYVBJATPO-ZWKOTPCHSA-N 349.906 2.539 0 50 EFAA CCn1c(O)nc2ccc(N3CCC(C(F)(F)F)CC3)cc2c1=O 263639963 PYBQZPZLHYUWQN-UHFFFAOYSA-N 341.333 2.901 0 50 EFAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2nc(=N)cc[nH]2)cc1 534590193 CIVUQTWBLSQHIZ-INIZCTEOSA-N 340.427 2.587 0 50 EFAA O=C(O)[C@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)C1CCCCC1 299795498 LTOPTINIGSCNIU-HNNXBMFYSA-N 333.363 2.599 0 50 EFAA CCn1nc(-c2c[nH]c3ccccc23)nc1[C@@H](C)N1CCN(C)CC1 823600763 UYMOPUUSRYMDGM-CQSZACIVSA-N 338.459 2.755 0 50 EFAA COCc1nc(-c2ccc(N3CCCC3=O)cc2)n(-c2cccnc2)n1 670439061 MWPVDHNWGVDOCJ-UHFFFAOYSA-N 349.394 2.603 0 50 EFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cnc(C2CC2)o1 685940590 OZIQSLNJTKKATO-HNNXBMFYSA-N 343.431 2.704 0 50 EFAA Cc1nn(C(C)C)cc1C(=O)N[C@@H](C)[C@@H](C)NC(=O)C1CCCCC1 1380369106 AWOXENUZGRCINF-KGLIPLIRSA-N 348.491 2.976 0 50 EFAA COCc1cccc(S(=O)(=O)N(CC(F)F)CC(F)(F)F)c1 952883082 MKXOJIKEDYROMQ-UHFFFAOYSA-N 347.305 2.651 0 50 EFAA CC[C@@H](CC(=O)N1C[C@@H](C(=O)OC)Cc2n[nH]cc21)c1ccccc1 1875275581 YJBBOYVPNDULRH-ZFWWWQNUSA-N 341.411 2.672 0 50 EFAA O=C(O)Cc1cccc(C(=O)NCc2ccc(C(F)F)cc2)c1O 1875387611 POZISSGNMYOVLY-UHFFFAOYSA-N 335.306 2.887 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(COC(C)C)cc2)CC1 1875369633 ZUMDWMRTUMNAOR-UHFFFAOYSA-N 330.428 2.975 0 50 EFAA O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CC(C2CCOCC2)=NO1 1875301008 ZXEITFJICYXQBB-AEFFLSMTSA-N 346.402 2.891 0 50 EFAA O=C(NC[C@@H]1C[C@@H]2OCC[C@@H]2O1)c1cc(-n2cccc2)ccc1Cl 1875308431 GCSOIJAZQVOKMI-JQFCIGGWSA-N 346.814 2.807 0 50 EFAA Oc1nc2ccccc2cc1Cn1cc([C@@]2(O)C[C@H]3CC[C@H]2C3)nn1 881291471 QKZINCCULLELKR-VRHCTWJESA-N 336.395 2.588 0 50 EFAA COCCC1(CNS(=O)(=O)C[C@@H]2C[C@@H]2Cc2ccccc2)CC1 1775989445 AVJUBEONTRWMQX-IRXDYDNUSA-N 337.485 2.601 0 50 EFAA Cc1ccnc(-c2noc([C@@]3(O)CCc4ccccc4C3)n2)c1F 1776006037 LQKHNPHDLOXHDR-GOSISDBHSA-N 325.343 2.956 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)o1 275305407 HYSAGCIHDDGYQA-NEPJUHHUSA-N 335.429 2.958 0 50 EFAA O=C(NC1(CO)CCCC1)c1cc2c(Br)cccc2[nH]1 305796906 COWOOSUFYPMVDT-UHFFFAOYSA-N 337.217 2.965 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC(c4nc(N)n[nH]4)CC3)c2c1 408517335 ACLDFCMRZIHVID-UHFFFAOYSA-N 339.399 2.715 0 50 EFAA CCOc1ccc(/C=C/C(=O)N(CCC(=O)O)C2CCOCC2)cc1 408513252 GJSWIZXCUXOPGA-VMPITWQZSA-N 347.411 2.581 0 50 EFAA CCOc1ccc(S(=O)(=O)N[C@@H](C)c2nccs2)c(C)c1 171539224 QJZFGKBNRHIJGW-NSHDSACASA-N 326.443 2.890 0 50 EFAA COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(C)no3)CC2)c1 171589258 NTKUCUQSVWPTBI-CQSZACIVSA-N 329.400 2.511 0 50 EFAA COc1cc(NC(=O)N2CCO[C@H](c3nccs3)C2)ccc1F 187107156 UYICMNMNDAXRGC-ZDUSSCGKSA-N 337.376 2.896 0 50 EFAA Cc1nn(C)c2ncc(CN3CCn4c(C(C)C)nnc4[C@@H]3C)cc12 189527959 XZLDOBRSFHLBQQ-ZDUSSCGKSA-N 339.447 2.568 0 50 EFAA COc1cccc(NC(=O)CN2CCc3cccc(OC)c3CC2)c1 193717980 BSWKCGFXBDIDHP-UHFFFAOYSA-N 340.423 2.743 0 50 EFAA COc1cccc([C@H](NC(=O)c2ccnn2C2CCCC2)C(=O)O)c1 659174594 HVCYMPGATXSEJH-INIZCTEOSA-N 343.383 2.563 0 50 EFAA CC[C@@H]1C[C@H](C(=O)NC2(c3nc(C)cs3)CCCC2)CC(=O)N1 680347992 URIYDSRRQYSNIF-QWHCGFSZSA-N 335.473 2.642 0 50 EFAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)CN1CCOC1=O 1506409466 YHVTYUOZLPNNKC-UHFFFAOYSA-N 342.399 2.696 0 50 EFAA Cc1cc(C)nc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1 1704303086 DWDGFGWHCKBNSS-FXAWDEMLSA-N 340.423 2.583 0 50 EFAA COc1ccc(-n2cc([C@H](C)Nc3ncc(F)c(OC)n3)cn2)cc1 1704330800 GIPZCVXJIWKNRZ-NSHDSACASA-N 343.362 2.992 0 50 EFAA COc1ccc(Cc2nn3c(CSC)nnc3s2)cc1OC 1775972062 BYVHJIUXWPWIBQ-UHFFFAOYSA-N 336.442 2.657 0 50 EFAA O=C(O)c1c(N2CCC[C@@]3(CCNC3)C2)noc1-c1ccccc1 1772705782 POQGJIUFOWIQNQ-SFHVURJKSA-N 327.384 2.620 0 50 EFAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 11878828 IICSMWKMKYSVED-CQSZACIVSA-N 349.500 2.634 0 50 EFAA CCCN1CCN(c2ccc(-c3nc(CC(C)C)no3)cn2)CC1 12439836 BCLMLQLTBIGGNO-UHFFFAOYSA-N 329.448 2.862 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCO[C@@H](CC2CCCCC2)C1 12593840 WXSPAWQCVDBBLB-KRWDZBQOSA-N 336.476 2.587 0 50 EFAA CCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O 14950763 OQLDEQYVPBLNQQ-UHFFFAOYSA-N 328.334 2.790 0 50 EFAA CCc1cc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)on1 15063375 UMQFAHKQXJCIHH-INIZCTEOSA-N 349.394 2.896 0 50 EFAA Cc1nn(C)c2c1[C@H](NC(=O)COc1cccc(Cl)c1)CCC2 1857666792 UDHGLFBMEMXJQO-CQSZACIVSA-N 333.819 2.955 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1[C@](CC)(CO)C2 1857676995 OVFHEAGJXMHRRW-WDYCEAGBSA-N 333.476 2.867 0 50 EFAA COCCn1cnnc1[C@H](C)n1ccnc1-c1ccc2ncccc2c1 1857689420 PMTCYFXKTNFDHG-AWEZNQCLSA-N 348.410 2.946 0 50 EFAA c1ccc(-c2ncc(-c3nccn3CCCc3nn[nH]n3)s2)cc1 1857690102 WEMQFDPTICDQDR-UHFFFAOYSA-N 337.412 2.820 0 50 EFAA CCCN(C(=O)c1ccc(-c2nnc(C)o2)cc1)[C@@H]1CCN(C)C1 648999494 DDYUUOYUQPKZSQ-MRXNPFEDSA-N 328.416 2.601 0 50 EFAA CCc1nccn1C[C@@H](O)COc1cc(F)cc(Br)c1 225484727 AIKRGHNEUXAOSW-GFCCVEGCSA-N 343.196 2.787 0 50 EFAA COCCN1CCC(NC(=O)N2CCC=C(c3ccccc3)C2)CC1 225459660 VPDBGBJOWBAYRQ-UHFFFAOYSA-N 343.471 2.596 0 50 EFAA COc1ccccc1C(=O)N(Cc1scnc1C)C[C@@H]1CCNC1 328627200 FVHREYVAOQROCM-CQSZACIVSA-N 345.468 2.712 0 50 EFAA COc1ccc(CN2CCC[C@H]2c2ccc(N(C)C)nn2)cc1OC 643707035 NELNJGUAWVEXCF-INIZCTEOSA-N 342.443 2.897 0 50 EFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2(Cc3ccccc3F)CC2)C1 344021210 YTZBNOREIYAIBJ-MRXNPFEDSA-N 346.446 2.912 0 50 EFAA Cc1cc(S(=O)(=O)Nc2c(C)noc2C2CC2)ccc1C(=O)O 350833860 QNEKJIOAHAVNBE-UHFFFAOYSA-N 336.369 2.668 0 50 EFAA CC(=O)NC(C)(C)c1noc(Cc2coc(-c3ccc(F)cc3)n2)n1 252495749 OYXZUNKKUYZCNO-UHFFFAOYSA-N 344.346 2.826 0 50 EFAA C[C@H](CCc1ccccc1)NCc1ccc(S(=O)(=O)CCO)cc1 252478769 AUVBNTCIIJJEPD-MRXNPFEDSA-N 347.480 2.564 0 50 EFAA C=CC(=O)N1CCC(C(=O)NC[C@@H](C)C2CC2)(c2ccccc2)CC1 847387408 QIMBNXOFQKDHHE-MRXNPFEDSA-N 340.467 2.895 0 50 EFAA Oc1nc2cccc(-c3nc(Cn4cnc5ccccc54)no3)c2[nH]1 904738567 KSSUWNIDVYBBSW-UHFFFAOYSA-N 332.323 2.717 0 50 EFAA C[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(-c2ccccc2F)n1C 2325860609 NENVDDKPJLFWHE-LBPRGKRZSA-N 326.375 2.915 0 50 EFAA Cc1cc(C(=O)NC2CCC3(CC2)C[C@H]3C(=O)O)c2c(C)noc2n1 2325864733 YMDDITOWALREQE-HLZQHVJHSA-N 343.383 2.603 0 50 EFAA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N1CCCCC1 50129 VWJGBMHODWNMKP-UHFFFAOYSA-N 327.413 2.611 0 50 EFAA COc1ccc(-c2onc(N[C@H](CO)CC(C)C)c2C(=O)O)cc1 2356154966 REVRYURXQRQYNC-LBPRGKRZSA-N 334.372 2.867 0 50 EFAA CCC[C@@]1(C(=O)O)CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1O 2356161886 NWWIMFYRQNKYDV-BXUZGUMPSA-N 332.322 2.543 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccn2C)n2ncnc2N1 8609902 OREGWHKKTWIKQE-INIZCTEOSA-N 334.383 2.544 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(F)cc1)CC2=O 9050719 LXMJXFXSPJKYDE-LLVKDONJSA-N 329.327 2.603 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)cs1 9576328 YNWSWWUSPZNGOS-SNVBAGLBSA-N 345.218 2.702 0 50 EFAA CCCCOc1cccc(OCCOCCN2CCN(C)CC2)c1 20653149 IBSGPFVOUSGVKH-UHFFFAOYSA-N 336.476 2.508 0 50 EFAA CCOc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 55565709 FCCVBHPFGWUDGU-UHFFFAOYSA-N 339.439 2.846 0 50 EFAA CC(C)(CNS(=O)(=O)c1ccc(CC(=O)O)cc1)C1=CCCC1 308748566 CCTAIQFDYYCHDH-UHFFFAOYSA-N 337.441 2.729 0 50 EFAA CCNC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 55392787 HDUMKPLZTNWDHW-UHFFFAOYSA-N 347.503 2.903 0 50 EFAA CCn1nncc1CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 459392131 LIHWQMZFFARMAA-LBPRGKRZSA-N 328.395 2.782 0 50 EFAA Cc1cccc(C)c1N(CC(=O)N(C)c1ccccc1)S(C)(=O)=O 10285946 GTVICEGNGZCHRG-UHFFFAOYSA-N 346.452 2.732 0 50 EFAA O=C(O)c1ccc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 10475478 CZXJZGHQNJDAOB-QGZVFWFLSA-N 338.363 2.652 0 50 EFAA biogenic CCCN(Cc1ccc(SC)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1 20536754 KGAVNQUIMKXHLN-HNNXBMFYSA-N 349.500 2.938 0 50 EFAA C[C@@H](Cc1ccc(F)cc1Cl)NCC1(S(C)(=O)=O)CCC1 421863080 YAYOGHPJFOOHJP-NSHDSACASA-N 333.856 2.967 0 50 EFAA Cc1n[nH]c(C)c1CN1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 347997236 MCSXDQRTRYOAOK-MRXNPFEDSA-N 345.516 2.970 0 50 EFAA Cc1cc(=O)n(CCN2CCC[C@H](c3ccccc3)CC2)c(O)n1 1506419256 MWOQSWIDHMNLPU-KRWDZBQOSA-N 327.428 2.527 0 50 EFAA Cn1cc(CC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cn1 119703015 KKXNOXABSZNWJL-AWEZNQCLSA-N 344.484 2.704 0 50 EFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1nc2ccccn2c1=O 229721762 BFSXSRFTUNMAFG-ILXRZTDVSA-N 331.416 2.500 0 50 EFAA Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1-n1cnnn1 120542030 BMMJOHMCTNQARL-UHFFFAOYSA-N 330.351 2.771 0 50 EFAA O=C(O)c1ccc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)nn1 1506403563 QDCJDLAFMCWSAH-UHFFFAOYSA-N 341.346 2.574 0 50 EFAA Cc1ccc(CCC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)o1 328615716 YWNBIZYCGCZQRF-CQSZACIVSA-N 333.388 2.627 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2ccoc2)on1 328642406 QZBCDGIXJQGLSF-HOTGVXAUSA-N 349.406 2.580 0 50 EFAA O=C1CCCN1CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71761967 KCZIHQWQTFHSSK-INIZCTEOSA-N 332.419 2.619 0 50 EFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 6730682 QVLAYGXJFWHKFA-UQVLAFNGSA-N 348.487 2.600 0 50 EFAA CN(C)C(=O)c1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)nc1 361810267 CKXFBJQYYDHSRV-CYBMUJFWSA-N 345.834 2.523 0 50 EFAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Cc1noc2ccccc12 151741412 PBDKMZMRBUIKBR-ZDUSSCGKSA-N 339.399 2.737 0 50 EFAA O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)[C@H]1COc2ccccc2C1 339118674 FOARBMFTTSCLOY-CQSZACIVSA-N 335.363 2.972 0 50 EFAA CC(C)c1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)no1 154291890 QTBNTBGQLYDQCK-UHFFFAOYSA-N 343.383 2.523 0 50 EFAA Cn1ncc2c(NC[C@@H]3CCCO3)nc(CCc3ccccc3)nc21 72120803 JPOWXUVAXRBXBB-HNNXBMFYSA-N 337.427 2.739 0 50 EFAA CN(C)CCN1CC2(CCN(C/C=C/c3ccccc3)CC2)OC1=O 72476396 IZORRWKGABOECP-RMKNXTFCSA-N 343.471 2.548 0 50 EFAA COc1ccc(C2(NC(=O)c3ccnc(C(=O)O)c3)CCCC2)cc1 237500826 IEHTWOAFSSVLFW-UHFFFAOYSA-N 340.379 2.988 0 50 EFAA CC(C)[C@@H]1CN(C(=O)C(C)(C)N)CCCN1Cc1ccc(F)cc1 71749395 YESOJBFCJLVLQL-KRWDZBQOSA-N 335.467 2.622 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1361846762 PDKBQQDRBNRAEB-LBPRGKRZSA-N 335.425 2.502 0 50 EFAA Cc1cnn(C2(C(=O)O)CCN(c3nc4ccccc4s3)CC2)c1 72429760 NNMSSLBBGDNCRI-UHFFFAOYSA-N 342.424 2.882 0 50 EFAA COc1csc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 378141484 VGMOHXNOGCTINO-GOSISDBHSA-N 349.427 2.963 0 50 EFAA C/C(=C\C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 171171566 PKOWIXLUENEVGO-GWKQRERASA-N 341.455 2.679 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225682894 ONARLWFCVQXVCO-BBRMVZONSA-N 325.343 2.650 0 50 EFAA Cc1ccc(-c2cc(C(=O)N3CCC(c4ncon4)CC3)n[nH]2)s1 426493342 YZHSZPIUZIFBAI-UHFFFAOYSA-N 343.412 2.849 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c(C)n1Cc1ccccc1 282070672 DPGFWWGMCQBCSR-KBXCAEBGSA-N 339.439 2.550 0 50 EFAA C[C@H]1CN(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)CCCO1 426361216 ILYDUYXMKRNZBM-LBPRGKRZSA-N 332.379 2.536 0 50 EFAA CC(=O)c1cc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)n(C)c1 173139050 QGXQEZRZFONZNT-KRWDZBQOSA-N 348.406 2.868 0 50 EFAA CN(Cc1cnc2ccccc2n1)C(=O)c1scc2c1OCCO2 223464393 JUVUUEMIPHZYTM-UHFFFAOYSA-N 341.392 2.735 0 50 EFAA Cc1cnc2nc(-c3ccc([C@H](C)N4CCOCC4)cc3)cnc2n1 426541806 ZGCIVMLPVKAOFC-AWEZNQCLSA-N 335.411 2.788 0 50 EFAA CC(C)OCCCNC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 426423127 URJRZPXVHNBZAB-LJQANCHMSA-N 348.487 2.827 0 50 EFAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@@H]1Cn1cccn1 426496699 NSVIIVPGFWAYHX-OAHLLOKOSA-N 330.436 2.974 0 50 EFAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc2ccccc2nc1O 284752078 VSZAPDKYZVXUKU-NZSAHSFTSA-N 342.439 2.956 0 50 EFAA CSc1ccc(CC(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cc1 95378215 MUQUFLYEPJSABE-PBHICJAKSA-N 346.452 2.621 0 50 EFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 95353484 YBNIHLCAZNCXOF-QGZVFWFLSA-N 332.492 2.731 0 50 EFAA CSc1cccc(CNC(=O)c2cc(C)ccc2OCCN)c1 426491057 OLUQDWIACNYXCG-UHFFFAOYSA-N 330.453 2.984 0 50 EFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCn1cc(C)cn1 95370524 PDLWKTNBOVPCMB-MRXNPFEDSA-N 339.443 2.871 0 50 EFAA CCc1csc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)n1 95380009 DPVHUJUWMDNGCG-INIZCTEOSA-N 330.457 2.554 0 50 EFAA Cc1cc(N2CCC(N3C[C@@H]4CCCN[C@@H]4C3)CC2)nc(C(C)C)n1 95510854 BGVQYMOWULPXGJ-FUHWJXTLSA-N 343.519 2.561 0 50 EFAA CC(C)CS(=O)(=O)CC(=O)N1c2ccccc2SC[C@H]1C 176650096 WMUFQLIOTXIWAL-GFCCVEGCSA-N 327.471 2.585 0 50 EFAA O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@H]1c1ccco1 95378968 JRXIPBDQISVNIM-INIZCTEOSA-N 330.384 2.682 0 50 EFAA O=C(Cn1sc2ccccc2c1=O)N1CCC[C@@]2(CCCO2)CC1 95530871 HCLSURMERZVQRI-GOSISDBHSA-N 346.452 2.625 0 50 EFAA COc1cnc(CN2CCN(c3ccccc3OC)C[C@H]2C)cc1O 244619937 FIVFUZOWFXIGFG-CQSZACIVSA-N 343.427 2.515 0 50 EFAA CCN(CC(=O)Nc1ccc(Cl)cn1)[C@H]1CCOC(C)(C)C1 244723612 MELBWSSTLQJURE-ZDUSSCGKSA-N 325.840 2.953 0 50 EFAA Cc1ccc([C@@H]2CCN(C(=O)NCc3nc(C4CC4)n[nH]3)C2)c(C)c1 298072642 KLVRGBSYPWUIJB-OAHLLOKOSA-N 339.443 2.998 0 50 EFAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc(N2CCCCC2)cc1 828158052 YFNDKUDYLOINQE-UHFFFAOYSA-N 338.455 2.644 0 50 EFAA Cc1cc(=O)cc(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)o1 825573684 GEDKAOWSSQZCOP-UHFFFAOYSA-N 345.786 2.841 0 50 EFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Cc1ccc(F)cc1 77505748 KBIADSXSXJZFHI-LJQANCHMSA-N 326.415 2.883 0 50 EFAA c1ccc(O[C@H]2COCC[C@@H]2NC2CCN(C3CCCC3)CC2)nc1 1565527165 GQWBTQMAMMSOMJ-OALUTQOASA-N 345.487 2.615 0 50 EFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565514320 FWWFJFIAGPZNIY-UZLBHIALSA-N 347.462 2.785 0 50 EFAA COCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)cc1 1565528399 PLVXDXPOWDGKNH-ROUUACIJSA-N 333.428 2.703 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@@H]12 185093617 BPQJYLHMFNLRJG-RRFJBIMHSA-N 327.453 2.543 0 50 EFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC1(O)CCCC1 305836372 XCKJOWCKUKVKRM-JTQLQIEISA-N 347.381 2.587 0 50 EFAA CN1CCCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1=O 191864822 SSAPMLXQLXIYFL-UHFFFAOYSA-N 332.407 2.965 0 50 EFAA CCc1c(NCc2nc(CCOC)no2)cnn1-c1ccccc1C 192690438 ZECQYWPKASKDSG-UHFFFAOYSA-N 341.415 2.927 0 50 EFAA O=C(CC1OCCCO1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 193552330 ZZKPKAHVPDZEMH-HUUCEWRRSA-N 337.416 2.627 0 50 EFAA NC(=O)Cc1csc(NC(=O)Cc2cccc(Cl)c2Cl)n1 193883987 MEJXXBJTHXVDRX-UHFFFAOYSA-N 344.223 2.659 0 50 EFAA CN(C)c1ccc2cc(NC(=O)CCNC(=O)C(C)(C)C)ccc2n1 195057843 UBIWSRZIROSSFB-UHFFFAOYSA-N 342.443 2.792 0 50 EFAA Cc1cc(C)c(CCNC(=O)[C@@H]2CC(c3cccnc3)=NO2)c(C)c1 790364483 CDZITBHPKIQYNF-IBGZPJMESA-N 337.423 2.859 0 50 EFAA CCCCCc1nnc(NC(=O)c2cnc(N(C)C)nc2C)s1 1506419911 MBYDYDVTKKPDSI-UHFFFAOYSA-N 334.449 2.688 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)C1 1506431474 LPGMCZKAJLHSNN-INIZCTEOSA-N 335.473 2.583 0 50 EFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1c[nH]nc1-c1cccc(F)c1 1772813291 WLAJDULDZJDQOU-HOTGVXAUSA-N 328.391 2.572 0 50 EFAA O=C(CSc1nccc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 5237490 ZKDYXGORBQTHAX-UHFFFAOYSA-N 329.303 2.520 0 50 EFAA CCN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 11762268 MFXGAUGCXVGWQV-IBGZPJMESA-N 343.515 2.841 0 50 EFAA O=C1CCCCN1CCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 12306119 CHPOXQRXYZCOAF-GOSISDBHSA-N 343.471 2.882 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1 13123857 AXWYLFOSJCFRFC-MRXNPFEDSA-N 348.362 2.761 0 50 EFAA COc1cccnc1CN1CCCN(C2Cc3ccccc3C2)CC1 1857684192 CHPFRGQDNAZZSJ-UHFFFAOYSA-N 337.467 2.765 0 50 EFAA O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ncnn2C1 1857708279 ZEDAZXHBDQQPIP-GOSISDBHSA-N 332.407 2.824 0 50 EFAA COc1ncccc1C(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1 753971285 PINLLBOIWXKSTE-ZDUSSCGKSA-N 334.759 2.689 0 50 EFAA C[C@H](c1nc2c3ccccc3ncn2n1)N1C(=O)c2ccccc2C1=O 225401528 ZBOCHIUDKDCGBX-LLVKDONJSA-N 343.346 2.635 0 50 EFAA CC(=O)N[C@@H](C(=O)N1CCOc2ccc(C(F)(F)F)cc21)C(C)C 225603732 MKTQXHMCMSZORT-CQSZACIVSA-N 344.333 2.592 0 50 EFAA Cc1c(F)cccc1C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 421873547 NNYIDYONLNXBQP-AWEZNQCLSA-N 333.363 2.854 0 50 EFAA COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)C1COC1 330207586 GDDRBXLWFDUKIN-CQSZACIVSA-N 347.864 2.754 0 50 EFAA COc1cccc(Oc2ccc(C(=O)N[C@@H]3CCCN(C)C3)nc2)c1 648274324 YBCZXVLWYRWIME-CQSZACIVSA-N 341.411 2.707 0 50 EFAA CCOc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239119596 IWSWCQOEEBXALV-SJUNHDGSSA-N 338.407 2.508 0 50 EFAA Cc1cnc(N2C[C@@H](C)OC(C)(C)C2)nc1N1C[C@H](C)OC(C)(C)C1 239654275 BNEPZCIHFPRESP-LSDHHAIUSA-N 348.491 2.792 0 50 EFAA COCc1noc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1 245558369 GVXZMLDCPYAPLM-HOCLYGCPSA-N 331.416 2.795 0 50 EFAA COC1(CN[C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 153404470 AVUMANKLFQXGOR-HUUCEWRRSA-N 342.439 2.753 0 50 EFAA Cn1cc(C(=O)NCc2ccc(C(=O)O)o2)c(C2CCCCC2)n1 262103605 NGZACRZYOWMTJR-UHFFFAOYSA-N 331.372 2.689 0 50 EFAA COc1cc(Br)cc(CNC(=O)c2snnc2C)c1 830427364 PLTQEAOLYYEKRI-UHFFFAOYSA-N 342.218 2.548 0 50 EFAA CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc3ncccc3o2)no1 935295762 XRXPFXSNYICAOQ-LBPRGKRZSA-N 342.355 2.548 0 50 EFAA CC(C)c1ccc(-c2noc([C@@]3(C)CCCNS3(=O)=O)n2)cc1 1875281035 MHNWZHXMDUSKNK-MRXNPFEDSA-N 335.429 2.788 0 50 EFAA C[C@@H]1C[C@H](CO)CN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 1875294593 KGUNHLHKRHDUBY-MNOVXSKESA-N 338.333 2.765 0 50 EFAA CNC(=O)c1cnc(NC(=O)NCc2ccc(OC(C)C)cc2)s1 1875289313 HGUXRDQNQILZAC-UHFFFAOYSA-N 348.428 2.612 0 50 EFAA O=C(O)[C@H]1CS[C@H](c2ccncc2)N1Cc1ccc2c(c1)CCO2 1875283176 IKTFIAIHVLFPGI-NVXWUHKLSA-N 342.420 2.717 0 50 EFAA Cc1cc(Cn2nnnc2N2CCC([C@H]3CCCO3)CC2)ccc1F 1771986768 VCSQGSXBNZEHJG-QGZVFWFLSA-N 345.422 2.564 0 50 EFAA Cc1noc(C[C@@H]2CCCN(c3nc4ccccc4cc3CO)C2)n1 896850419 NWVGVEGRVLZWDL-AWEZNQCLSA-N 338.411 2.878 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC(c3cc(O)no3)CC2)n1 1775991053 CXJWJZNDADCVMD-UHFFFAOYSA-N 328.294 2.881 0 50 EFAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)CC1 299745604 RILAVZOHJOIBIQ-SNVBAGLBSA-N 341.205 2.561 0 50 EFAA O=C(c1ccsc1Br)N1CCCC[C@@H]1c1nc[nH]n1 333657246 GEUMXLJLDMOTAE-SECBINFHSA-N 341.234 2.996 0 50 EFAA COc1cc(F)c(NC(=O)C[C@@H]2CCCNC(=O)C2)cc1Cl 2325783363 SLPVSYYVVVROSZ-SECBINFHSA-N 328.771 2.733 0 50 EFAA CCc1nccn1CCNC(=O)[C@@H]1COc2ccc3ccccc3c2C1 2325799065 RGXMLQSRQIWAQB-INIZCTEOSA-N 349.434 2.966 0 50 EFAA Cc1c(NCc2c(Cl)n[nH]c2C2CC2)cccc1-n1cnnn1 892318983 WDKOKTVEDKNGFE-UHFFFAOYSA-N 329.795 2.837 0 50 EFAA CN1CC[C@@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 245289958 GHJGJNAKFFGJMB-BLLLJJGKSA-N 348.809 2.692 0 50 EFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc21 428694 OWXLWYWKBBJUFQ-ZDUSSCGKSA-N 344.436 2.635 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)CCOc2ccccc2)C1=O 2356165151 WBGYWIYUJUQFSF-HXUWFJFHSA-N 344.455 2.849 0 50 EFAA CCOC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 2932432 QWIQOUYEBMELEI-UHFFFAOYSA-N 331.199 2.908 0 50 EFAA CCCc1nnc(SCC(=O)Nc2ccccc2C(=O)OC)o1 4943092 XBIJVLOJUGDWKO-UHFFFAOYSA-N 335.385 2.540 0 50 EFAA COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCCC1 6453119 QUOWUJIXMZFZRW-CYBMUJFWSA-N 342.395 2.631 0 50 EFAA COc1ccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1 6782193 BWFBJIFANQKABN-UHFFFAOYSA-N 347.374 2.902 0 50 EFAA CCCCC(=O)Nc1cc(NC(=O)c2csnn2)ccc1OC 55134120 WOHWDVZRHRXATG-UHFFFAOYSA-N 334.401 2.928 0 50 EFAA Cc1nc(COc2ccc(NC(=O)c3scnc3C)cc2)no1 341856301 UNFGRPDTHPTHIC-UHFFFAOYSA-N 330.369 2.974 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1ccc(OC)c(OC)c1 249693164 NSTGDWNLUNKVTM-DLBZAZTESA-N 346.471 2.722 0 50 EFAA 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C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(C(=O)O)c1 369006958 FMZPXYDWVKQWFU-PXAZEXFGSA-N 325.364 2.849 0 50 EFAA Cc1ccnc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)c1 338762314 IXRUSRGHFSFPJA-UHFFFAOYSA-N 346.818 2.523 0 50 EFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCOc2ccccc21 171163919 HLRJPBJVIPGXEE-MRXNPFEDSA-N 335.367 2.913 0 50 EFAA CCn1ccnc1[C@H](C)NC(=O)N1CCC(N2CCCCC2)CC1 334095658 ROPULHQFFNZHLN-HNNXBMFYSA-N 333.480 2.624 0 50 EFAA Cc1ccc([C@@H]2COCCN2C(=O)c2cnc(C(F)(F)F)nc2)o1 157228582 PFRIMVMBKHVWJH-NSHDSACASA-N 341.289 2.611 0 50 EFAA O=C(c1n[nH]c2c1CCCCC2)N1CC[C@@H](O)c2ccccc2C1 375466908 GXTZXJJGPVOQSR-QGZVFWFLSA-N 325.412 2.758 0 50 EFAA O=C(O)C1CCN(C(=O)/C=C/c2csc(Br)c2)CC1 238104341 MMNDDTMKGPPFEG-OWOJBTEDSA-N 344.230 2.847 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)NCc1csc2ccccc12 339515968 GVLHYHWVVBBRFW-UHFFFAOYSA-N 349.415 2.928 0 50 EFAA CNC(=O)c1cccc(NC(=O)N[C@@H]2COc3ccc(C)cc32)c1 132382508 KUWMHEXLNODGKH-OAHLLOKOSA-N 325.368 2.610 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)c1 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MDWCUUXIKHQKQR-KRWDZBQOSA-N 349.438 2.879 0 50 EFAA Cn1ccc(NC(=S)Nc2cnn(Cc3ccccc3F)c2)n1 2802603 AXLQTUSXENHYRL-UHFFFAOYSA-N 330.392 2.613 0 50 EFAA CCN1CC2(CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)CC1=O 72428160 CWWNLWQBUMBBOS-QGZVFWFLSA-N 340.467 2.968 0 50 EFAA Oc1nncn1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 328597251 GGBCTSIOXBELMH-UHFFFAOYSA-N 342.321 2.719 0 50 EFAA COC(=O)[C@H](c1ccsc1)N1CCCN(CC(F)(F)F)CC1 253397266 WDTITIVOBCULRZ-LBPRGKRZSA-N 336.379 2.532 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(c2ncc(C(F)(F)F)s2)CC1 253423923 ONXNFMJRAPMVJG-LLVKDONJSA-N 346.378 2.845 0 50 EFAA COc1ccc2c(c1)OCCN(C(=O)C[C@H](O)c1cccc(F)c1)C2 374749169 IFLPWTFUXJOADD-KRWDZBQOSA-N 345.370 2.679 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCC[C@H](OCC2CC2)C1 364779563 RXJKPNJPELHJTQ-LBPRGKRZSA-N 329.322 2.527 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@@]4(CC3)CNC(=O)O4)ccc2O1 215737742 CXNGPKNMGMGMEU-LJQANCHMSA-N 330.428 2.865 0 50 EFAA O=C(c1cnn([C@H]2CCCNC2)c1)N1CCC(c2ccsc2)CC1 333229471 BQDJEXZOWJSLGU-KRWDZBQOSA-N 344.484 2.889 0 50 EFAA O=C(CSC[C@H]1CCCCO1)N1CCN2CCOc3cccc1c32 371401455 PBYDTNLKAJTWMF-CQSZACIVSA-N 348.468 2.534 0 50 EFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)OC1=O 77486041 BUVWWCIIABBWAD-ZDUSSCGKSA-N 335.404 2.599 0 50 EFAA COc1cccc(CN2CCN(Cc3ccc(C)s3)CC2=O)c1 72144758 VUHJLRVRIKXEAA-UHFFFAOYSA-N 330.453 2.910 0 50 EFAA COC(=O)c1cc(N2CCC[C@H](COc3ccc(C)cc3)C2)ncn1 77337695 GYDSOAMQCIWAEI-HNNXBMFYSA-N 341.411 2.867 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ocnc2C2CC2)C1(C)C 496222613 BVNJCVKFAVAJIT-VXGBXAGGSA-N 349.431 2.974 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C12CCCC2 174565252 CWNGKANIBPEQMV-SJORKVTESA-N 340.423 2.996 0 50 EFAA CSc1ccccc1C(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 82157073 PPJQYEHMGGYXHV-UHFFFAOYSA-N 343.452 2.820 0 50 EFAA CN(C)C(=O)[C@H]1CC[C@@H](c2nc(-c3nccc4ccccc34)no2)O1 287381850 PLTRTPYFGYFXEC-UONOGXRCSA-N 338.367 2.593 0 50 EFAA Cc1cccc(N2C[C@@H](C)N(C(=O)CCc3cccnc3)CC2=O)c1 82125363 FLZHRHBKQWQKEH-MRXNPFEDSA-N 337.423 2.587 0 50 EFAA O=C1NCCC[C@@]12CCN(Cc1cccc(C(F)(F)F)c1F)C2 91526807 YHXNHKMNULLZQT-HNNXBMFYSA-N 330.325 2.947 0 50 EFAA COCC[C@]1(C(=O)O)CCCN(C/C=C/c2ccccc2OC)C1 91665677 CMOQNAOLXHTTMM-MTCRFPMVSA-N 333.428 2.912 0 50 EFAA COCc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 179832056 NSBRRXPMWWPHQB-UHFFFAOYSA-N 336.779 2.608 0 50 EFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1 91819676 NHVGYEDTKPHNHW-HNNXBMFYSA-N 345.418 2.557 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@@H](c1cccc(C)c1)N(C)C 92081383 YCEBRCXUTRBLMV-GOSISDBHSA-N 328.460 2.863 0 50 EFAA CCC[C@]1(CO)CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 91807244 VIDQTXMKPSSFFU-IBGZPJMESA-N 346.402 2.682 0 50 EFAA CC[C@@H](C)Oc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)ccn1 180581865 AONZOICKQQPTKT-OCCSQVGLSA-N 329.404 2.744 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@](CO)(C(C)C)C2)nc(C(F)(F)F)n1 294761870 NGGJYJJCSXDKGQ-OAHLLOKOSA-N 345.365 2.675 0 50 EFAA Cc1cc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3[nH]2)no1 252495440 OQIDVSZNUCVLNE-AWEZNQCLSA-N 325.372 2.635 0 50 EFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)Nc3cnns3)C2)n1 299774537 FBQPUKNLXNGPLF-SNVBAGLBSA-N 336.421 2.531 0 50 EFAA CNC(=O)C1(NC(=O)c2nc(-c3ccccc3)[nH]c2C)CCCCC1 299798738 SCLHVUCXQSGQJZ-UHFFFAOYSA-N 340.427 2.564 0 50 EFAA CCc1c(C)nn(CCNc2cc([C@@H]3CCOC3)nc(C)n2)c1C 299772675 BDAVAAZCFGESIK-OAHLLOKOSA-N 329.448 2.777 0 50 EFAA COc1ccc(NC(=O)c2ccc(C)nc2C)cc1C(=O)N(C)C 952986477 IWXFXEXBYUXUPB-UHFFFAOYSA-N 327.384 2.661 0 50 EFAA CC(C)CN1C[C@H](C(=O)Nc2cccc(-c3cnc[nH]3)c2)CC1=O 952980523 ZYIDBKFESRYVHD-CQSZACIVSA-N 326.400 2.520 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(c3cccc(C(F)(F)F)n3)C2)N1CC1CC1 1565510987 ZEMDENMRHJVIDC-OLZOCXBDSA-N 339.361 2.938 0 50 EFAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1cccc(CN2CCCCCC2)c1 1565511272 AHFOEFYHNARGLQ-GBESFXJTSA-N 328.456 2.970 0 50 EFAA CN1C[C@@H]2CC[C@H]1CN(Cc1c(-c3ccccc3)nc3ncccn13)C2 1565528940 GQWWXSWUNSFTRW-WMZOPIPTSA-N 347.466 2.922 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)Cn2c(C)nc3ccccc32)n[nH]1 408470086 ZBSXUSPJCGZGRZ-INIZCTEOSA-N 338.415 2.525 0 50 EFAA O=C(N[C@@H](CCO)C1CCOCC1)c1ccc(F)c2ccccc12 408515516 TVMUOBRYGIRHSD-SFHVURJKSA-N 331.387 2.886 0 50 EFAA COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CCCO[C@@H]2C)cc1 276774775 HNIXPQNUCZOOHV-MNEFBYGVSA-N 346.471 2.763 0 50 EFAA CC(C)(C)[C@@H](CO)NC(=O)Nc1nnc(/C=C/c2ccco2)s1 170593694 IJMRFFOKWBYHOF-XUIVZRPNSA-N 336.417 2.830 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2cc(Br)ccc21)c1ccccc1 170620016 JGCNHKUBLSRWQA-INIZCTEOSA-N 346.180 2.862 0 50 EFAA COc1ccc(Cn2ccc(NC(=O)NCc3ccco3)n2)cc1 187514297 DHDIFWDSVJTGJL-UHFFFAOYSA-N 326.356 2.855 0 50 EFAA Cn1cc(CNc2ncccn2)c(-c2ccc3c(c2)OCCCO3)n1 187920443 ASPUDGJLPZBVMA-UHFFFAOYSA-N 337.383 2.651 0 50 EFAA O=C(O)CCCNC(=O)CCc1cc(F)ccc1Br 190520934 CKTGXUKIQONKAN-UHFFFAOYSA-N 332.169 2.502 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc(C)c1O 190936373 XAFWOWPSNHAVHD-QGZVFWFLSA-N 342.443 2.832 0 50 EFAA C[C@H]1CCc2ccccc2N1C(=O)CNc1cccc2c1C(=O)NC2 192586268 BSBLZFFTEYVFIS-ZDUSSCGKSA-N 335.407 2.710 0 50 EFAA COc1ccc2c(c1NC(=O)N1CC[C@H](c3n[nH]c(C)n3)C1)CCC2 669367522 YKCGEZJHWDIURW-ZDUSSCGKSA-N 341.415 2.632 0 50 EFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(CC(C)C)C2CC2)OCC(=O)N1C 1529191346 WZGYDSJGXCGVQF-MOPGFXCFSA-N 344.455 2.540 0 50 EFAA Cc1cc(N2CCC[C@H](CC(N)=O)CC2)ncc1Br 671440641 NZFYTXGVRXIXAS-NSHDSACASA-N 326.238 2.634 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2nc3ccccc3n2C)CCC1=O 1775978432 STHAETNZLSTVDY-HNNXBMFYSA-N 328.460 2.652 0 50 EFAA CCCc1cc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)no1 11873272 VHGPMZCQUGBPKF-UHFFFAOYSA-N 333.432 2.538 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 12382601 PHJYSWLLPKZPMZ-LSDHHAIUSA-N 332.400 2.654 0 50 EFAA CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccn2)CC1 13745519 JDIKITFZTLCZSX-GOSISDBHSA-N 339.439 2.896 0 50 EFAA CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15652960 UXCVSWXSMAUHFO-AWEZNQCLSA-N 338.473 2.780 0 50 EFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1 16527155 DPQWCNKIRKCINC-UHFFFAOYSA-N 343.770 2.750 0 50 EFAA Cc1ccccc1OCC(=O)N1CCN(CCc2ccccc2)CC1 16580627 QUFPXCDCHIPESN-UHFFFAOYSA-N 338.451 2.761 0 50 EFAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1cccnc1 169755711 KVSAABGRYWQVQB-ZDUSSCGKSA-N 339.424 2.542 0 50 EFAA c1ccc([C@H]2CN3C[C@H](Nc4ncnc5[nH]ccc45)C[C@H]3CO2)cc1 1857688743 YUCXURPNIUXWRP-HLLBOEOZSA-N 335.411 2.584 0 50 EFAA Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC[C@H](N)[C@@H](O)C3)CCCC2)c1 1857712982 PZRIGNXBCJTFAC-WDSOQIARSA-N 344.499 2.720 0 50 EFAA CCc1cnc(C)nc1N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857718850 WHASUHDAFVQTPW-RTBURBONSA-N 338.455 2.610 0 50 EFAA COc1ccc(C2=NO[C@@H](CNC(=O)c3ccsc3)C2)cc1F 225768574 KRDOFSSBLALVKT-GFCCVEGCSA-N 334.372 2.819 0 50 EFAA CNC[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 237289279 TUTRYMTVDDSOBE-GFCCVEGCSA-N 328.815 2.706 0 50 EFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CCOCC1 238105198 OJNRDQITNWXHES-KGLIPLIRSA-N 337.803 2.536 0 50 EFAA COc1cc(C(=O)N2CC[C@@H](N)C2)cc(Cl)c1OCC(C)C 132351763 UXQVSDNUZXSDNO-GFCCVEGCSA-N 326.824 2.557 0 50 EFAA C[C@@]1(O)CCOC2(CCN(Cc3cc4ccccc4nc3O)CC2)C1 1704304429 FKKYOHIZUMUZMZ-LJQANCHMSA-N 342.439 2.836 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](C)Cc1cccnc1 930849588 RATIZGIQDCTOAD-SECBINFHSA-N 341.337 2.895 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)Nc3nn(C)c4ccccc34)C2)n1 934456147 WIKFEKVYAKIQRC-GFCCVEGCSA-N 340.387 2.676 0 50 EFAA CC(C)CN(C)C(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 952995671 UOOWJNINZNQFRW-NSHDSACASA-N 347.385 2.542 0 50 EFAA Cc1nc(CN(C)C(=O)C2(c3ccccc3Br)CC2)n[nH]1 1875262156 XJJCHRMNZVUGCE-UHFFFAOYSA-N 349.232 2.566 0 50 EFAA CCn1cccc1C(=O)NC[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1 1875406299 AZVNMUCOHIWNBU-WCVJEAGWSA-N 349.450 2.661 0 50 EFAA O=C(N[C@H]1CCOC12CCOCC2)c1ccnc2cc(Cl)ccc12 890453821 PQVGIRMUMSKLLD-INIZCTEOSA-N 346.814 2.956 0 50 EFAA Cn1ccnc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC1CC1 1775994908 PVHNUZXVUANVCR-HOTGVXAUSA-N 348.491 2.935 0 50 EFAA Cc1nc(C)c(F)c(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)n1 1775959106 HSXTVYQPTVGAKS-NEPJUHHUSA-N 332.383 2.560 0 50 EFAA O=C(O)CC1(NC(=O)c2nscc2Br)CCCCC1 404782325 JTCRAPDUXOXEBR-UHFFFAOYSA-N 347.234 2.813 0 50 EFAA CCc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 96984 SRRLZSOWRRYSNE-MRXNPFEDSA-N 333.409 2.743 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(C2CCOCC2)[nH][nH]1 2325782003 MTFKCUXJHIRAGA-UHFFFAOYSA-N 335.795 2.726 0 50 EFAA CCOc1ccc(-n2nc(CCCO)nc2C[C@H]2CC[C@@H]2OC)cc1 2325848139 AIRKREIRHKQQJH-PBHICJAKSA-N 345.443 2.558 0 50 EFAA Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 469711 OCUKZFDDPXQGNO-UHFFFAOYSA-N 338.816 2.565 0 50 EFAA COC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 529305 QWLXQQRRXLUKFA-UHFFFAOYSA-N 332.356 2.739 0 50 EFAA CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)cc1 555597 LJNXQCQZTXTBKL-UHFFFAOYSA-N 333.409 2.617 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@]12CCCNC2=O 2356156361 YGUZAZHUWFFSMO-NRFANRHFSA-N 349.434 2.942 0 50 EFAA CCOC(=O)c1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 2991540 HTUGIYXNHZRQNV-UHFFFAOYSA-N 344.411 2.809 0 50 EFAA C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 10544029 IGWBHYUUBZAHBD-KBPBESRZSA-N 344.908 2.986 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1CN1CCOCC1 55183338 MKINZIJVTZNKHY-VJJCQHNBSA-N 346.515 2.916 0 50 EFAA Cc1noc(C)c1CCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225541880 MOWXVTHYVVVZOZ-DOTOQJQBSA-N 332.375 2.698 0 50 EFAA COc1cccc(Cl)c1CSc1nnnn1C1CCOCC1 225794972 JFJVBPVQSJGJSK-UHFFFAOYSA-N 340.836 2.979 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)coc1C 9764046 YYHUOCBEAUCTFC-UHFFFAOYSA-N 333.340 2.953 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC1CCCCCCC1 100099844 ZODOGBDDFUHFOQ-IYBDPMFKSA-N 332.444 2.557 0 50 EFAA O=C(Cc1cn2ccsc2n1)NCCc1nc2c(s1)CCCC2 65532958 JSISRAKVZMEKGT-UHFFFAOYSA-N 346.481 2.633 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)cc1 100865052 JVRPKCBZICDGAM-VODUFIJXSA-N 343.379 2.715 0 50 EFAA CCOc1cc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)[nH]n1 1363583285 JBFDEQNWUSINKQ-CQSZACIVSA-N 335.429 2.504 0 50 EFAA CCCc1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)[nH]n1 126397161 ROSDNLJTHOFLTO-UHFFFAOYSA-N 346.475 2.617 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)Nc3cnccc3C)cnn2c1 67982764 LPPJTRPMUDMKCR-UHFFFAOYSA-N 338.415 2.527 0 50 EFAA CC1=C(c2ccco2)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 253392192 ZVDICOOFYQYARJ-UHFFFAOYSA-N 349.394 2.504 0 50 EFAA COc1cccc(C2(CNC(=O)N3CCC[C@H](CCO)CC3)CC2)c1 422200379 JPAHFEZGSSKBFL-INIZCTEOSA-N 346.471 2.921 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1 67921694 YVPQOXNGKJEUII-PKOBYXMFSA-N 335.407 2.862 0 50 EFAA O=C(O)c1ccc(-c2ccn(-c3cccc(-n4cnnc4)c3)n2)cc1 67908970 CWKDYIPRMVUGIQ-UHFFFAOYSA-N 331.335 2.818 0 50 EFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCCCC(=O)N2)c2ccccn2)cc1 280625082 QOMDHFPBVXSPJS-HKUYNNGSSA-N 337.423 2.654 0 50 EFAA CCNC(=O)[C@@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 142643390 NJMDUXRNRZNZFS-LLVKDONJSA-N 340.349 2.505 0 50 EFAA Cc1ccccc1-c1nc(CN2CCN(CCCCO)CC2)c(C)o1 67540588 YUQRVOMSGYQYEP-UHFFFAOYSA-N 343.471 2.849 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)o1 12091858 XCACROKVGRJFIS-KRWDZBQOSA-N 341.455 2.982 0 50 EFAA O=C(c1cccc(I)c1)n1cc(Cl)cn1 356014 IXYLDIYUHUXFHO-UHFFFAOYSA-N 332.528 2.830 0 50 EFAA CCc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 1460489 STGJQSNAOHACSI-BDJLRTHQSA-N 326.343 2.578 0 50 EFAA Cc1nc(NC(=O)[C@H](C)N2CCC[C@@H](n3ccnc3C)C2)sc1C 229511396 MCEARVOLXNXIQS-SWLSCSKDSA-N 347.488 2.929 0 50 EFAA O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@@H](n2cncn2)C1 229755971 VFXWSVPGOZORTL-UMVBOHGHSA-N 332.354 2.524 0 50 EFAA COC(=O)c1ccc(NC(=O)N2CCSC(C)(C)C2)cc1F 121182802 DPVJKEDLWFQSEU-UHFFFAOYSA-N 326.393 2.972 0 50 EFAA O=C(CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)NC1CCCC1 71759820 LWCKJDTWODQXSO-QGZVFWFLSA-N 348.418 2.565 0 50 EFAA CCn1nc(C)c(CN[C@H]2CCCc3nc(N(C)C)ncc32)c1C 12714815 ICTNHAPXWGMDMY-INIZCTEOSA-N 328.464 2.543 0 50 EFAA FC(F)(F)c1cc([C@@H]2CCCN(CCOC[C@H]3CCCO3)C2)n[nH]1 257366309 RGEXEPSMIXAKMX-CHWSQXEVSA-N 347.381 2.804 0 50 EFAA CCCNc1ncc(CN2CCO[C@H](Cc3cccc(F)c3)C2)cn1 71750397 QSFBRDTXJYUFDZ-GOSISDBHSA-N 344.434 2.881 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCc2ncc3c(n2)CCC3)c1 72411961 OAYSJHDBHNGMNB-UHFFFAOYSA-N 339.439 2.599 0 50 EFAA CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)NC(=O)CO3)n[nH]1 77322788 OJNXLDADUUJCJK-UHFFFAOYSA-N 337.383 2.792 0 50 EFAA CC(=O)Nc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 32497096 VGHKPAHRWLZYIY-UHFFFAOYSA-N 335.363 2.749 0 50 EFAA Cn1ccnc1[C@@H]1C[C@H](NC(=O)NC2CCC3(CC2)CC3)CCO1 333636084 IAZBWNFKDOTVDN-CABCVRRESA-N 332.448 2.662 0 50 EFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CC[S@](=O)C(C)(C)CC1 333837849 MSIWIWLKXXPSFO-SPSFWMDKSA-N 338.477 2.619 0 50 EFAA CCCN(C(C)=O)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 71767270 YUPZPYGTPIOOLV-UHFFFAOYSA-N 332.425 2.865 0 50 EFAA CCCOc1cccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 131865459 SBHRTCFNMVHZGM-FUHWJXTLSA-N 344.455 2.535 0 50 EFAA Cn1ccnc1[C@H](NCc1ccc2cn[nH]c2c1)C1CCOCC1 284796756 RYAFHPIRRVCNGJ-QGZVFWFLSA-N 325.416 2.554 0 50 EFAA Cn1ccnc1[C@H](NC(=O)c1ncncc1Cl)c1cccc(F)c1 175214331 JPTDTHGUVLKSSZ-CYBMUJFWSA-N 345.765 2.522 0 50 EFAA Cc1ccccc1O[C@H](C(=O)NCCc1csc(N)n1)C(C)C 220336662 KIXIETVWNRQWEW-HNNXBMFYSA-N 333.457 2.796 0 50 EFAA C[C@@H](CS(=O)(=O)NCc1cc(Cl)c2c(c1)OCCO2)C1CC1 1364766930 PABONIWRAFXAHC-JTQLQIEISA-N 345.848 2.577 0 50 EFAA Cc1cc(OC(F)F)ccc1NC(=O)N[C@@H](C)c1nnc(N)s1 426578562 HQLAGFBAPXVNHU-ZETCQYMHSA-N 343.359 2.913 0 50 EFAA CCc1ccccc1OC1CN(C(=O)N[C@@H](CC)Cn2ccnc2)C1 426501699 CCUVKWCYULNKCQ-INIZCTEOSA-N 342.443 2.697 0 50 EFAA CCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H]1COc2ccccc2C1 95530250 PHJAMQWVXVWTOG-INIZCTEOSA-N 327.428 2.637 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 95361993 AWBYQXGEEKTBHQ-SFHVURJKSA-N 340.467 2.752 0 50 EFAA O=C(Nc1nnc2n1CCCC2)c1ccccc1NCc1cccnc1 180881457 RRPPMGNSSPDNJH-UHFFFAOYSA-N 348.410 2.874 0 50 EFAA CC(C)[C@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)c1nccn1C 91781220 FNJPRYYNULGCFS-KRWDZBQOSA-N 328.391 2.888 0 50 EFAA Cc1cc(C)cc([C@@H](C(=O)O)N2CCC(CN3CCCC3=O)CC2)c1 95368072 DCNJNASXZJYZPB-IBGZPJMESA-N 344.455 2.764 0 50 EFAA C[C@H](c1ccc(C(=O)NCCC(=O)N2CCCC2)o1)N1CCCCC1 97551225 JQCPUTGQRJNNJF-OAHLLOKOSA-N 347.459 2.569 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCSC(F)(F)F)C2 91593659 VJANWIKYOFOWAR-SNVBAGLBSA-N 335.347 2.616 0 50 EFAA COc1ccc([C@@H](NC(=O)Cc2cccc(C)c2)[C@H]2C[C@@H](O)C2)cn1 244595031 DNJNICMCMUUSAU-FUHIMQAGSA-N 340.423 2.570 0 50 EFAA O=C(c1ccccn1)[C@H]1CCCN(Cc2noc(-c3ccco3)n2)C1 244899397 ZJCKNUJLFJQRFL-ZDUSSCGKSA-N 338.367 2.820 0 50 EFAA CN(C(=O)c1cccn1C1CC1)[C@H]1CCN(c2ccccc2F)C1=O 181838891 GTJONGDGVGRBBQ-INIZCTEOSA-N 341.386 2.840 0 50 EFAA Cc1cc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)ccc1F 183879821 HQICDZMPZOHMSN-UHFFFAOYSA-N 348.399 2.709 0 50 EFAA CCc1noc(CCNC(=O)CSc2ccc(Cl)cc2)n1 584895820 VGGXXZQDQNYMLN-UHFFFAOYSA-N 325.821 2.736 0 50 EFAA CCc1nc(CCNC(=O)N(C)Cc2cccc(SC)c2)no1 584894699 CXWFLPUOHGZISO-UHFFFAOYSA-N 334.445 2.738 0 50 EFAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cncn1C 952981939 UVKPZJZERHWYKI-CYBMUJFWSA-N 326.400 2.687 0 50 EFAA O=C(O)[C@@H]1CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@@H](O)[C@@H]21 169301718 FAJGWXJPBTUEOP-CVTSSLSISA-N 340.423 2.559 0 50 EFAA CCc1ccc2occ(C(=O)NCC(F)(F)c3n[nH]c(C)n3)c2c1 408517609 NSAGQUIIKSAOHH-UHFFFAOYSA-N 334.326 2.944 0 50 EFAA CN(CCN(C)C1CC1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 408519683 QFFWIGFAJQJWBH-UHFFFAOYSA-N 348.447 2.595 0 50 EFAA Cc1c(NC[C@@H](O)CC(C)(C)C)nn2c(C(F)(F)F)nnc2c1C 269370668 MDGSVVOXCJTOSF-JTQLQIEISA-N 345.369 2.969 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)[C@H](C)c2cccs2)o1 275492716 WGARMPUJJHXLOB-VXGBXAGGSA-N 335.429 2.958 0 50 EFAA CC(C)CS(=O)(=O)N1CCC(N[C@H](C)C2CCCCC2)CC1 170067725 RJQYQRBDRPIDAG-OAHLLOKOSA-N 330.538 2.995 0 50 EFAA COc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)sn1 399144033 CYBXJDVYTUGPSD-INIZCTEOSA-N 341.477 2.935 0 50 EFAA CCn1nc(C)cc1C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 644828741 FDPPVMXZBYXRJL-CQSZACIVSA-N 330.407 2.701 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)nc1 649462622 LJPULIKVYVTUCM-UHFFFAOYSA-N 337.379 2.657 0 50 EFAA Cc1nnc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)s1 1775985379 HFRCCWXCVUGJLW-AWEZNQCLSA-N 340.412 2.749 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(Cl)c(C)c3)CCN21 1615955269 DZIUBZPAYUMVAH-CVEARBPZSA-N 336.863 2.974 0 50 EFAA Cc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)O 303277 DCYVSCDZEUMNCH-RIYZIHGNSA-N 325.320 2.579 0 50 EFAA CN1CC[C@@](C)(CN(C)c2noc(-c3ccccc3)c2C(=O)O)C1 1704305653 MOGNRRIVKAWAJO-GOSISDBHSA-N 329.400 2.818 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccnc4ccccc34)C[C@@H]12 1704300833 XJXWBOHZUZKDKF-WOJBJXKFSA-N 325.456 2.513 0 50 EFAA Cc1nn(C)c(CNC[C@H]2CCOC3(CCC3)C2)c1Br 449480846 PIDBAHQXNAYGII-LBPRGKRZSA-N 342.281 2.930 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COCc1ccccc1 229516779 RNMNSWURVNWLIJ-MOPGFXCFSA-N 343.471 2.752 0 50 EFAA CC(C)N1C[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)CCC1=O 1772809486 BWRGMJPUTCWZBO-OAHLLOKOSA-N 342.443 2.815 0 50 EFAA S=C(NCc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 5060992 GSOUUANVMSLDCW-UHFFFAOYSA-N 346.887 2.932 0 50 EFAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(C3CCC3)CC2)c1 11934150 FWFBFJQFGKKZGT-UHFFFAOYSA-N 344.455 2.983 0 50 EFAA CN1N=C(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)CCC1=O 14957906 BLMVBQKDAVBPRG-HNNXBMFYSA-N 345.418 2.605 0 50 EFAA CCN1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 16604252 HJFWHPPPQCZLAI-NSHDSACASA-N 331.243 2.925 0 50 EFAA N[C@H]1C[C@@H](c2nc(-c3cc(Cl)c4c(c3)OCCO4)no2)[C@@H]2C[C@H]12 1857530383 GOBIMHPDLLJTSG-KLBPJQLPSA-N 333.775 2.612 0 50 EFAA COCCCn1cnnc1Cn1ccnc1-c1ccc2ncccc2c1 1857693248 OJXHIQNXEQWGET-UHFFFAOYSA-N 348.410 2.775 0 50 EFAA OC[C@H]1[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@]23CC[C@H]1O3 1857735509 QNKHXSVBNXGNSN-UAXWRAGISA-N 328.239 2.965 0 50 EFAA Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)c(Cl)cc1F 414465810 STWUYIGWGGTEJB-STQMWFEESA-N 334.844 2.549 0 50 EFAA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1n[nH]c2ccccc2c1=O 124170529 NKMJFXLJIUQXSV-HUUCEWRRSA-N 343.427 2.589 0 50 EFAA CO[C@@H](C)c1nc(C)c(C(=O)NC2CCC(C(=O)O)CC2)s1 237313988 DPKBAUVMLNBAIF-WHXUTIOJSA-N 326.418 2.532 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 337157784 QOLUBJVQNREDRD-IPMKNSEASA-N 331.456 2.624 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1cnn2ccccc12 345806109 MJZFWIRKWYSLHL-CQSZACIVSA-N 347.733 2.683 0 50 EFAA O=S(=O)(Nc1ccc2c(n1)CCC2)c1occc1Br 903634955 RHYIFFOISVLZHZ-UHFFFAOYSA-N 343.202 2.727 0 50 EFAA Cc1ccc(CNC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)nc1 823522903 SOGOYUSGODOZEX-UHFFFAOYSA-N 349.316 2.621 0 50 EFAA Cc1ccnc(N)c1CNCc1ccc(OCC(F)(F)F)nc1 864087397 PJAMMYPGLBOUBZ-UHFFFAOYSA-N 326.322 2.598 0 50 EFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)Cc1cc2n(n1)CCC2 864096050 XHBGCOMFRFILDG-UHFFFAOYSA-N 335.354 2.584 0 50 EFAA Cc1cc2c(cc1C)N(C(=O)c1ccc(OCC(=O)O)cc1)CC2 864178006 VMLVNENCYAYPSV-UHFFFAOYSA-N 325.364 2.970 0 50 EFAA Cc1ccc2oc(N3CCC(C[C@H]4OCC[C@H]4C(N)=O)CC3)nc2c1 952889603 CAESJHFFDNFKHQ-RHSMWYFYSA-N 343.427 2.633 0 50 EFAA O=C(O)c1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)s2)c1 1875262890 GCRMQVZHDLNGQT-UHFFFAOYSA-N 349.792 2.717 0 50 EFAA Cc1nc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c2c[nH]nc2n1 1875286807 GYUOWFFTUIIZPW-OAHLLOKOSA-N 327.363 2.503 0 50 EFAA NC[C@H]1CCCC12CCN(C(=O)[C@H](O)c1ccc(C3CC3)cc1)CC2 1875277969 QXWBTXLPXQAIRD-RTBURBONSA-N 342.483 2.965 0 50 EFAA Cc1cccc2c1CC[C@@H]2NC(=O)NCc1nc(C(F)(F)F)no1 892834911 DICQUAVQRYBDSS-NSHDSACASA-N 340.305 2.884 0 50 EFAA Cc1nc([C@@H]2CCCN2c2cc(C(F)F)nc3ncnn23)[nH]c1C 895194003 ALCZFWFTFREMRY-NSHDSACASA-N 333.346 2.743 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1C[C@H](O)C[C@@H]1c1nnc(C)o1 1775957509 YLQLRAIIBHQSHW-DGCLKSJQSA-N 341.367 2.635 0 50 EFAA Cc1c(C(=O)OCc2ccnc(OC(C)C)c2)cnc2ccnn12 2325790801 MDSURIFNZRHBMO-UHFFFAOYSA-N 326.356 2.577 0 50 EFAA CC1CC(N)(C(=O)N2CC[C@@](c3ccccc3)(C(F)(F)F)C2)C1 2325809298 ZZSJGKBKJWMQKJ-DSSZZKGTSA-N 326.362 2.846 0 50 EFAA Cc1[nH]ccc(=NCc2ccc(-c3nc[nH]n3)cc2)c1Br 2325856971 KNZYBYVFFBODQI-UHFFFAOYSA-N 344.216 2.972 0 50 EFAA COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 466563 LZZMTRDFYVBWGT-UHFFFAOYSA-N 339.347 2.677 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2ccccc2C)cc1 467827 IDDVMIUYGJDNBH-UHFFFAOYSA-N 329.352 2.564 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)CCCc1c[nH]c3ccccc13)C2 2356152408 HSVOKAFPKZGLFP-JXFKEZNVSA-N 342.439 2.612 0 50 EFAA COCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 2819325 HQKYHTJZSPTWQZ-UHFFFAOYSA-N 342.218 2.628 0 50 EFAA O[C@H](COc1ccc(Br)cc1)Cn1nnc2ccccc21 3893716 QULOBNFAVQKCQU-LBPRGKRZSA-N 348.200 2.634 0 50 EFAA CCOc1ccccc1NC(=O)CCn1cnc2ccccc2c1=O 4511987 MKHASQVOOPVTEA-UHFFFAOYSA-N 337.379 2.824 0 50 EFAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 7708372 FTIXJOLPJZESKB-UHFFFAOYSA-N 342.420 2.565 0 50 EFAA CCOC(=O)[C@@H](C)[C@H](C)Nc1ccc2nnc(-c3ccsc3)n2n1 225514496 ATXVKEVFQRVLNU-QWRGUYRKSA-N 345.428 2.852 0 50 EFAA CC(C)(C)OC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1 55392748 AKFVZALISNAFRA-OAHLLOKOSA-N 336.432 2.752 0 50 EFAA Cc1cc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)cc(=O)[nH]1 55340980 JARFIXRIHBFWLF-OAHLLOKOSA-N 332.425 2.566 0 50 EFAA COc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100662958 JMIFPGMSPHDZPI-UHFFFAOYSA-N 336.347 2.524 0 50 EFAA biogenic O=C(c1ccccn1)N1CCC[C@](CO)(CCOc2ccccc2)C1 20992702 SPGOHJPOAOKXMW-FQEVSTJZSA-N 340.423 2.765 0 50 EFAA Fc1ccc(CCNc2ccc3nnc(C(F)(F)F)n3n2)cc1 20729712 HZKWYRLIEUUBBJ-UHFFFAOYSA-N 325.269 2.937 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccccc2OC(F)(F)F)CCCO1 171298256 JGWAIQQKFRFVFD-LLVKDONJSA-N 332.322 2.906 0 50 EFAA Cc1ccc(OCCCCN2CCNCC2)c(Br)c1 20272393 QEXQTGSWYCESCC-UHFFFAOYSA-N 327.266 2.822 0 50 EFAA Cc1cccc(CN2CCC[C@H](CNC(=O)c3cc(N)ccn3)C2)c1 67754469 YWJIQDYXZRSXIQ-QGZVFWFLSA-N 338.455 2.614 0 50 EFAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1OCCc2ccccc21 137001061 BRONVAXDUFEQMY-FQEVSTJZSA-N 347.418 2.862 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 136132568 SMKUQVJLAQOTET-NSHDSACASA-N 334.759 2.932 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 280643363 COWCEXKOWLUJBP-ICBMNTSNSA-N 347.436 2.603 0 50 EFAA COc1cccc([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)c1OC 20119014 WYYISXHOPXLNJK-AWEZNQCLSA-N 341.411 2.740 0 50 EFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)Cc1ccccc1F 435601301 LJAQNQNIFALEAL-AWEZNQCLSA-N 347.459 2.771 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc2nccnc12 1506403450 OXWHVYLUFAHDBK-UHFFFAOYSA-N 335.342 2.917 0 50 EFAA CCn1cc(CNC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cn1 229656606 VJGHFVHLHGMBCU-GOEBONIOSA-N 334.489 2.516 0 50 EFAA C[C@H]1C[C@H]1C(=O)N(C)[C@H](CNC(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 230185172 KUBGQIFXROKLKF-PWGAFSCYSA-N 332.419 2.753 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CC(C)(C)c1ccccc1)C2 215743250 XECHEMHICMOAMM-FUHWJXTLSA-N 328.456 2.824 0 50 EFAA O=C(CC1CCCCC1)NC[C@@H](c1ccncc1)N1CCOCC1 215078763 JDPNMMMYLYBVAC-SFHVURJKSA-N 331.460 2.542 0 50 EFAA CN1CC[C@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)[C@H]2C1 253425995 DRQWYKAXILVREL-YJBOKZPZSA-N 343.471 2.854 0 50 EFAA Cc1nc2c(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cccc2o1 253421013 OKRSZZPNHOLRCH-PXAZEXFGSA-N 332.425 2.921 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1 37370738 JZHUAIDLMKHQFU-UHFFFAOYSA-N 327.383 2.646 0 50 EFAA O=C([C@H]1CCc2cn[nH]c2C1)N(Cc1cccs1)C[C@H]1CCCO1 125676898 NBXYFXKFPNEDRB-DZGCQCFKSA-N 345.468 2.784 0 50 EFAA Cn1nc(NC(=O)c2cnccn2)c2c(Oc3cccnc3)cccc21 72476307 CCLRQFNWDOHBGM-UHFFFAOYSA-N 346.350 2.803 0 50 EFAA O=C(O)Cc1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1 361974022 ZXAVAZCKQBLZHS-UHFFFAOYSA-N 348.405 2.724 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccsc1 72473662 YNDQEQXNYYMWCX-MRXNPFEDSA-N 335.517 2.561 0 50 EFAA O=C(NC[C@@H]1CCCS1(=O)=O)c1cc2c(ccc3ccccc32)[nH]1 153994991 QYMOECJSRCJBAZ-ZDUSSCGKSA-N 342.420 2.628 0 50 EFAA Cc1ccc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1S(C)(=O)=O 332173265 UOXRBKFYGVJBQW-CQSZACIVSA-N 349.374 2.859 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3Cn3cccn3)cc2)n1 77323236 OVZWUUPYMFDFQD-LJQANCHMSA-N 349.438 2.990 0 50 EFAA Oc1ncc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c2ccccc12 1364335649 XZFQOVYJALZDLG-KBPBESRZSA-N 326.318 2.828 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Cl)cc1Cl 237594987 PXCQDRADUDTTKZ-NOZJJQNGSA-N 345.226 2.720 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 238101043 PGURDESJVAMVMZ-HNNXBMFYSA-N 343.354 2.951 0 50 EFAA OCC1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 72459047 ZQZDZLBUXXYEBM-UHFFFAOYSA-N 326.375 2.744 0 50 EFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@@H]2Cc3ccccc32)c1 263277962 YGZBNXRMFMPBMU-YLJYHZDGSA-N 339.391 2.841 0 50 EFAA CC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)C1 175254837 FDYZOXPRGGQWAN-CQSZACIVSA-N 326.400 2.500 0 50 EFAA COCCC1(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1 294531124 VGEIHSACOWEEIS-UHFFFAOYSA-N 333.819 2.959 0 50 EFAA CCc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)o1 222567707 WZZQOEXXVHKAGV-HUUCEWRRSA-N 348.374 2.651 0 50 EFAA O=C(O)c1cc(-c2ccccc2)nc2c1c(=O)nc(S)n2C1CC1 20604085 MHYKIJMCYOELGZ-UHFFFAOYSA-N 339.376 2.780 0 50 EFAA Cc1cc(S(C)(=O)=O)cc(C(=O)N(C)[C@@H](C)c2ccccn2)c1C 179167113 AWUSRVDVAIXBPU-AWEZNQCLSA-N 346.452 2.935 0 50 EFAA O=C(C1CC1)N1CCC(C(=O)N2CCCC[C@@H]2c2nccs2)CC1 95377894 NAAFSWYKQWWCJO-OAHLLOKOSA-N 347.484 2.845 0 50 EFAA OC[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1CN1CCCCC1 91793930 XEUQSRGVBMKNJC-ZIAGYGMSSA-N 343.393 2.631 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC 25757754 WAOQONBSWFLFPE-VIFPVBQESA-N 347.242 2.922 0 50 EFAA biogenic,world COCCc1noc([C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 91818482 FETOBPBTWVYMDJ-ZDUSSCGKSA-N 349.818 2.818 0 50 EFAA COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 247824436 IYLRRIUNGGQRTN-JDCPMNFLSA-N 338.451 2.930 0 50 EFAA biogenic,in-vitro C[C@H](NC(=O)CCc1nc2cc(F)ccc2[nH]1)c1nc(C2CC2)no1 243892952 AMMCNEUHNVXTRR-VIFPVBQESA-N 343.362 2.772 0 50 EFAA CC(C)(C[C@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1)C(N)=O 296161122 RYCJJEGESDXQMO-SNVBAGLBSA-N 342.361 2.858 0 50 EFAA O=C(O)C[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 299745009 QRCYLHHTEAZKKH-GFCCVEGCSA-N 333.363 2.953 0 50 EFAA CCOC(=O)c1sc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1C 299380532 PNVCNKYSMNWLTM-NEPJUHHUSA-N 341.429 2.756 0 50 EFAA CC(C)(C)OC(=O)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 299805564 VAXUGUBSFRWLHE-UHFFFAOYSA-N 334.464 2.991 0 50 EFAA COc1cc2c(cc1CNC(=O)N(C)Cc1cscn1)CCC2 534676247 HUIHUXZUZKDZQI-UHFFFAOYSA-N 331.441 2.982 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCCC2)c(Cl)cc1F 548370024 HXUJFEBQQBKZSD-LLVKDONJSA-N 334.844 2.550 0 50 EFAA CC[C@@H](OC)c1nc(Cc2ccc(OC)cc2)nn1CC(C)(C)O 824674555 NJZGIEWYCGXLKE-OAHLLOKOSA-N 333.432 2.746 0 50 EFAA Brc1cncnc1N1CCC(c2nncn2C2CC2)CC1 268790533 GJYGLDUKBILZEA-UHFFFAOYSA-N 349.236 2.550 0 50 EFAA CCn1nc(C)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1C 271535455 CPCNQMYRAZOWFE-UHFFFAOYSA-N 341.459 2.561 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)CCc2ccsc2)o1 275248661 CBTRXGYMDWIEIP-CYBMUJFWSA-N 335.429 2.787 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)o1 275252343 CHBQHQPDKCTZSL-HNNXBMFYSA-N 340.383 2.888 0 50 EFAA Cc1nscc1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 275969034 NMIZZJGKHLGGSE-INIZCTEOSA-N 344.484 2.973 0 50 EFAA C[C@@H]1CCC[C@H](NC(=O)C[S@@](=O)Cc2cn3ccccc3n2)[C@@H]1C 170025765 SPEQZNQSLHZZME-YLRWGGIRSA-N 347.484 2.524 0 50 EFAA O=S(=O)(NC1CCCC1)c1ccc(OC2CCOCC2)c(F)c1 186182669 OHKDRKSLHXBJSH-UHFFFAOYSA-N 343.420 2.604 0 50 EFAA CCCN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1=O 170606423 MQCBIFQPKDPPGF-CABCVRRESA-N 334.847 2.914 0 50 EFAA CCc1nnc(S)n1CCNC(=O)C1(c2ccc(F)cc2)CCC1 170641478 YFMYRMCAYOBBMF-UHFFFAOYSA-N 348.447 2.506 0 50 EFAA O=C([C@H]1C[C@@H]1C1CC1)N1CCC(c2nnc(S)n2C2CC2)CC1 170655878 AUDFSTXKCZIHJY-KGLIPLIRSA-N 332.473 2.654 0 50 EFAA Cc1noc(Cl)c1CCC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 280267301 ZKHUEUCBJUEYBJ-SNVBAGLBSA-N 338.795 2.825 0 50 EFAA CC(C)n1ncc2cc(CN3CC(C)(C)O[C@]4(CCOC4)C3)cnc21 280227015 JODPYWHNMOCDNO-LJQANCHMSA-N 344.459 2.782 0 50 EFAA C[C@@H]1CCN(C(=O)CCCCN2CCOCC2)c2c(O)cccc21 186319018 OJDFKCZUXYFEOB-OAHLLOKOSA-N 332.444 2.735 0 50 EFAA O=C1CCC[C@H](C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)N1 634300605 FDLIEINCMOWPOS-LLVKDONJSA-N 334.725 2.644 0 50 EFAA COC[C@@H]1CN(C(=O)N[C@@H](C)c2cc(C)sc2C)C[C@@H](C)O1 187320825 LXCUVAOUGKNHDM-OSMZGAPFSA-N 326.462 2.871 0 50 EFAA C[C@H]1COCCN1c1ccc(NC(=O)c2cn3ccnc3s2)cc1 188536686 XNNSNROUUNPYEW-LBPRGKRZSA-N 342.424 2.873 0 50 EFAA CO[C@H](CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1 195564967 FAKCLZBBUQWOEM-GVDBMIGSSA-N 336.407 2.770 0 50 EFAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cnn(C(C)C)c1N 798992111 KZMKTYSUHFRKQY-UHFFFAOYSA-N 339.443 2.984 0 50 EFAA Cn1cncc1C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212039157 VPXIWOWYPAMKJX-MJGOQNOKSA-N 335.407 2.564 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865609 NZLUOFKQUNJWLS-MRVPVSSYSA-N 339.779 2.927 0 50 EFAA COc1ccc(OCC(=O)N2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1 19841971 SKUSXVFPLNSWDB-QFBILLFUSA-N 346.471 2.797 0 50 EFAA CN(Cc1cccc2ccnn12)C[C@H]1CC(=O)N(C2CCCC2)C1 1857676268 NGMHTQOZVKZEQA-OAHLLOKOSA-N 326.444 2.557 0 50 EFAA Cc1[nH]c2c(CN3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cccc2c1C 1857711448 AMJMFPVHBUEXSC-XLIONFOSSA-N 339.439 2.708 0 50 EFAA CCCc1csc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1 127237528 ILXFDXADTFBGJN-UHFFFAOYSA-N 328.463 2.749 0 50 EFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN)o2)CC1 237543816 RYJNYRHYWATHRI-UHFFFAOYSA-N 333.819 2.663 0 50 EFAA CNc1cc(N2CCC[C@@H]2CNc2nccc(C(C)(C)C)n2)ncn1 338667364 MCDXZMNTNOXAHJ-CYBMUJFWSA-N 341.463 2.687 0 50 EFAA O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@@H]1CC[C@H](O)C1 342555554 WUJXJVSOZFEVLS-ZBFHGGJFSA-N 348.830 2.969 0 50 EFAA O=C(O)Cc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 357896335 NYRFKAJMXPBPBR-UHFFFAOYSA-N 343.763 2.907 0 50 EFAA C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](c2nccn2C)C1 363444529 TYCDOYUNGMSPIU-DZGCQCFKSA-N 330.407 2.689 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3ncccc3F)C1)CC2 1704324999 GHOWMYAEAUOKMH-GOSISDBHSA-N 327.407 2.561 0 50 EFAA Cc1occc(=O)c1OCC(=O)N1CCC[C@H]1c1ccc(F)cc1F 822006795 VBSJPBOIYSXCDU-HNNXBMFYSA-N 349.333 2.969 0 50 EFAA Cc1c(Br)cccc1CCNC(=O)Cc1cncc(O)c1 830556472 FMLRDBLINRKNFI-UHFFFAOYSA-N 349.228 2.760 0 50 EFAA CCOc1cccc(CN2CCOC[C@@H]2c2ccc(COC)o2)n1 932328313 ITIIPFQNMSBSGL-MRXNPFEDSA-N 332.400 2.793 0 50 EFAA C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc([C@](C)(O)C3CC3)n2)O1 854106505 XKDGMNCJDUNAJP-VVFCZOMOSA-N 343.427 2.649 0 50 EFAA CSc1ccc(-c2noc([C@H](c3cccnc3)N(C)C)n2)nc1 952876501 SXNZCBMCNKMBDV-AWEZNQCLSA-N 327.413 2.900 0 50 EFAA C[C@@H]1CCCn2c(CC(=O)N3C[C@@H](CCN)c4ccccc43)cnc21 1875276564 BRBCYKSRUXRMIN-HUUCEWRRSA-N 338.455 2.802 0 50 EFAA Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@H](C)Cn2ncnc21 1875280329 UHRPYHDTMHQXRA-JQWIXIFHSA-N 333.823 2.723 0 50 EFAA COc1cc(C)c(C(=O)N[C@H]2COC3(CCCC3)C2)cc1C(=O)O 1875318930 MJLDZICMHVDESG-GFCCVEGCSA-N 333.384 2.533 0 50 EFAA C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H](c1ccccc1Cl)n1cccn1 1875375890 RYNIFNKXJCUJIK-OXNLGOCZSA-N 346.862 2.748 0 50 EFAA O=C(Cc1cccnc1)Nc1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875385213 OLVWHLXCYYJLQN-JPYJTQIMSA-N 337.423 2.736 0 50 EFAA O=C(N[C@@]1(c2ncc[nH]2)CCOC1)c1cccc(Cl)c1Cl 886093331 AMLLMLMWJZVAEQ-AWEZNQCLSA-N 326.183 2.762 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 1776007136 VZSGSDTWLGDESK-CYBMUJFWSA-N 326.322 2.774 0 50 EFAA Cc1nc(N[C@H](C)c2ncc(C(F)(F)F)[nH]2)c2cnn(C)c2n1 1776006296 TZEIWLUKFALHDH-ZCFIWIBFSA-N 325.298 2.587 0 50 EFAA COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(Br)c1O 23114914 FJHGLZCTEJNHPV-NXEZZACHSA-N 330.222 2.773 0 50 EFAA CC(C)[C@H](C(=O)O)N(Cc1ccccn1)C(=O)[C@@H]1CC1(Cl)Cl 2325812846 LWYNGWXPNYAZBR-NWDGAFQWSA-N 345.226 2.713 0 50 EFAA COc1cc(F)ccc1CNS(=O)(=O)c1c(C)csc1C 2325869350 KIKKGZTYOCTWFG-UHFFFAOYSA-N 329.418 2.991 0 50 EFAA C[C@@H]1CN(C(=O)c2ccccc2F)CCN1C(=O)c1ccccc1F 172496 XGIWCQHCUXVIEH-CYBMUJFWSA-N 344.361 2.952 0 50 EFAA COc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1 456646 HYWOIFASZFCXCR-UHFFFAOYSA-N 347.378 2.937 0 50 EFAA COc1ccc(S(=O)(=O)CCc2nnc(-c3ccccc3)o2)cc1 482187 WJNOCQAAOCLBEG-UHFFFAOYSA-N 344.392 2.762 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c(OCC)c2)NC(=O)N1 618668 JKKBGUAJYBTCNH-INIZCTEOSA-N 348.399 2.762 0 50 EFAA CCOc1cccc(NC(=O)c2cnn(-c3ccccn3)c2CC)n1 225439952 DQDUHQNENYIVNR-UHFFFAOYSA-N 337.383 2.876 0 50 EFAA COc1ccccc1-c1ccc(CN2C[C@@H](OC)C[C@H]2CO)cc1 343961266 TVVRRNHJDYEDBE-ROUUACIJSA-N 327.424 2.944 0 50 EFAA O=C(O)c1cccc(OCc2nnnn2-c2ccc(Cl)cc2)c1 9304366 UJJQXFBFVIJMEU-UHFFFAOYSA-N 330.731 2.593 0 50 EFAA Cc1nnc2ccc(NC[C@H]3CCCN(C)[C@H]3c3ccccc3)nn12 110590834 AHRGWWBWFOIISE-APWZRJJASA-N 336.443 2.928 0 50 EFAA CCOc1ccccc1C(=O)N(Cc1ccccn1)[C@@H](CC)CO 55326781 NRDSGUBZTQZWHZ-INIZCTEOSA-N 328.412 2.894 0 50 EFAA Cc1cccc(-c2noc(CN(C)C(=O)c3cc(C4CC4)n[nH]3)n2)c1 67433864 SMVWPVPACNJEDE-UHFFFAOYSA-N 337.383 2.918 0 50 EFAA O=C(NCCCN1CCOCC1)Nc1cccc(Cl)c1Cl 25663692 YFVZQWPKACQIKA-UHFFFAOYSA-N 332.231 2.837 0 50 EFAA O=S(=O)(NCc1c(F)cccc1OC(F)F)c1ccsc1 352064015 SLISINFUPSGJKC-UHFFFAOYSA-N 337.344 2.967 0 50 EFAA COc1ccccc1N1CCC[C@@H](NC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)C1 252491983 MAQOZUXXWPCDQV-YZDADXEPSA-N 344.455 2.738 0 50 EFAA CC[C@@H](C)n1nc(NC(=O)c2cc(Br)cn2C)cc1C 330696625 UVCFKNOVKTZAOX-SECBINFHSA-N 339.237 3.516 0 50 EFAA CCCC1(O)CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 360306597 CPAMZRIAIBTSQU-GOSISDBHSA-N 348.462 2.944 0 50 EFAA C[C@H](C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1)C1CC1 360982299 ABOOXVOWIDNEBZ-QMMMGPOBSA-N 340.305 2.992 0 50 EFAA C[C@]1(NCC(=O)O)CCN(Cc2cc(Cl)cc3cccnc23)C1 328608283 YNODDTRAAYLERR-KRWDZBQOSA-N 333.819 2.527 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(Cl)cn2C)c1 282555139 QYHAKGFDCXMSLX-HIFRSBDPSA-N 334.803 2.635 0 50 EFAA CCCc1cncnc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72131006 HCOVZVWVQJCWFP-KRWDZBQOSA-N 342.418 2.824 0 50 EFAA CCc1onc(C)c1-c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 125789354 UPIVHJAXGLMTLZ-UHFFFAOYSA-N 333.369 2.666 0 50 EFAA COCc1noc(-c2ccc(N(C)CCN3CCCC[C@H]3C)nc2)n1 72476601 WKDOCJSPZBYDDY-CQSZACIVSA-N 345.447 2.589 0 50 EFAA Cc1cc(CO)oc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 367387182 AWQKAMSEZWCLRB-AWEZNQCLSA-N 329.352 2.786 0 50 EFAA C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)cs2)CC[S@@](=O)C1 283744453 HMKWNMXQRAZDHS-VERVWZFWSA-N 334.466 2.651 0 50 EFAA CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2CN2CCCC2)cc1 215033080 VNXWLYHQYWHFTP-QGZVFWFLSA-N 336.501 2.540 0 50 EFAA C[C@H](C(=O)Nc1nccs1)N1CCC2(CC1)OCc1ccccc12 378133103 LRUDZCBIHLYXKQ-CYBMUJFWSA-N 343.452 2.992 0 50 EFAA O=C(CCc1ccc(C(=O)O)cc1)Nc1cccc(-c2nnc[nH]2)c1 238077794 PVMDHWKWVZDFQL-UHFFFAOYSA-N 336.351 2.741 0 50 EFAA COc1cccc([C@H]2C[C@H](N(C)CC(=O)N(C)CC(F)(F)F)C2)c1 452018025 NWUVMICLTXKSJQ-HDJSIYSDSA-N 344.377 2.894 0 50 EFAA COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C 72117510 SSHYBULKNIHQEW-ZDUSSCGKSA-N 329.400 2.998 0 50 EFAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc3c(C)c(C)[nH]c23)N(C)C1 285328218 VCVDMVDNPJNQIN-GJZGRUSLSA-N 329.444 2.576 0 50 EFAA CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 239366972 AHBSJPJNQVYPLN-HIFRSBDPSA-N 348.443 2.902 0 50 EFAA Cc1ccc(N2CC[C@@H](CNC(=O)Cn3cnc4ccccc43)C2)cc1 220011189 LGWQRRIXEDMMDX-KRWDZBQOSA-N 348.450 2.987 0 50 EFAA CCc1cnc(CCNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 241923240 UEFBPDXWBFPWHQ-FVQBIDKESA-N 349.500 2.895 0 50 EFAA CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 242339045 ZELADUBFLZWTJA-NVXWUHKLSA-N 335.517 2.561 0 50 EFAA C[C@]1(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CCC(=O)NC1 288882284 DKBBYMKSLBLVOF-AWEZNQCLSA-N 325.290 2.923 0 50 EFAA O=C(CCCOc1ccccc1)N[C@@H]1CCOC2(CCOCC2)C1 221219258 YIVXGFMWUPPMEY-MRXNPFEDSA-N 333.428 2.690 0 50 EFAA COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 47977867 BSEQZCHCJLDDMD-NSHDSACASA-N 339.823 2.681 0 50 EFAA Cc1cc(C(=O)NCCN2CCCC[C@@H]2CO)c(-c2ccccc2)o1 97610286 BDUCMJODUNKJTD-QGZVFWFLSA-N 342.439 2.832 0 50 EFAA CCOC1CCN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 96133417 WKBFFEMZLAGGDV-UHFFFAOYSA-N 335.404 2.686 0 50 EFAA O=C(NCCNc1cccnc1)C1CCN(C2CCCCC2)CC1 95376474 ARZWJCRXBKYCKK-UHFFFAOYSA-N 330.476 2.654 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 92078471 TWAGZGPPAMECRC-IBGZPJMESA-N 329.444 2.720 0 50 EFAA CCCn1cc(C(=O)N(C)[C@H](CN(C)C)c2ccccc2)c(C)n1 91325277 JWZQPEORFVPTFV-GOSISDBHSA-N 328.460 2.976 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 91635816 SJKJIBFISUGTQF-AWEZNQCLSA-N 331.391 2.696 0 50 EFAA CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)N)c1Br 236813665 JEWGHECNMKSWBS-VHSXEESVSA-N 343.269 2.638 0 50 EFAA Cc1ccc(CSc2nc(N)cc(N3CCC[C@@H](N)CC3)n2)cc1 95377275 QLKVVXVFVJWKMT-OAHLLOKOSA-N 343.500 2.977 0 50 EFAA COc1ccc(-c2cn(C3CCN(c4ncccn4)CC3)nn2)cc1 23478808 YZLMYQALDHOFJI-UHFFFAOYSA-N 336.399 2.585 0 50 EFAA CC(C)Cc1cc(-c2ncnn2Cc2ccc3c(c2)OCO3)on1 97179464 KZPDNYVPWZZANK-UHFFFAOYSA-N 326.356 2.909 0 50 EFAA CCN1C[C@H](C(=O)N2CCC(Sc3cccc(C)c3)CC2)CC1=O 91907225 JTTWRMCGXMKBGS-OAHLLOKOSA-N 346.496 2.947 0 50 EFAA CC[C@]1(C(=O)O)CCCN(C(=O)C2(c3ccc(OC)cc3)CC2)C1 91547441 NMAGTIOHXXVYNJ-SFHVURJKSA-N 331.412 2.830 0 50 EFAA CNC[C@H]1CCCN1C(=O)CCc1ccc(Br)c(C)c1 237222341 GCCHNLMNZWPCBY-CQSZACIVSA-N 339.277 2.901 0 50 EFAA NCCc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1 95362202 LXRCIBOLMNHLCJ-LEWJYISDSA-N 327.516 2.884 0 50 EFAA CN1CCC[C@@H](CCC(=O)NCCc2nc3cc(Cl)ccc3[nH]2)C1 95378300 ZAFHQDDQTAXCLW-ZDUSSCGKSA-N 348.878 2.997 0 50 EFAA CCCc1nc(C(=O)N2CCc3nnc(C(C)C)n3CC2)cs1 91819054 UDYPEJGBVKGVIO-UHFFFAOYSA-N 333.461 2.509 0 50 EFAA CCc1nsc(N2CCCN(CCC(=O)c3ccccc3)CC2)n1 182379145 LHXDZDLGDCRHNZ-UHFFFAOYSA-N 344.484 2.886 0 50 EFAA CO[C@@H](C)C(=O)Nc1cc(Cl)ccc1I 297941856 ZXWSPHBQDKHLGC-LURJTMIESA-N 339.560 2.918 0 50 EFAA CC(=O)N1CCC[C@H](NC2CCN(c3cc(C)cc(C)c3)CC2)C1 534653034 IYDUJJOXXWOEKI-IBGZPJMESA-N 329.488 2.873 0 50 EFAA CCc1nn(C)c(NC(=O)N(C)Cc2ccc3nsnc3c2)c1C 299798619 SMVMCDKVXYXFKH-UHFFFAOYSA-N 344.444 2.960 0 50 EFAA Oc1cc([C@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)ncn1 299759819 NHMXWDPTOKYKTI-KRWDZBQOSA-N 349.438 2.807 0 50 EFAA Cc1cnc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)cn1 827647396 HIJHXYUYIMOLNC-SFHVURJKSA-N 342.418 2.768 0 50 EFAA CCCc1nc(C)c(CNC(=O)CCn2c(C)cccc2=O)s1 823015144 AVIHOPRMZSWUSR-UHFFFAOYSA-N 333.457 2.581 0 50 EFAA Cc1nc(C)c(CC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)s1 827861554 NYUKTWDOTUFYEF-UHFFFAOYSA-N 343.452 2.762 0 50 EFAA COCc1nc(-c2ccc(N3CCCC3=O)cc2)n(-c2ccncc2)n1 670444594 DWKMHZVCKAJQMI-UHFFFAOYSA-N 349.394 2.603 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)N1CC[C@H](Oc2ccccn2)C1 268796284 YENHRZZWGQRXAZ-FUHWJXTLSA-N 338.407 2.765 0 50 EFAA O=Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 864428086 PJRUMIMNMCRYAZ-UHFFFAOYSA-N 328.437 2.955 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc3nnc(C(F)F)n3n2)C1 269055231 RNUGNZLBNAUVJZ-JLYOEYFJSA-N 343.403 2.554 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(c4ccccn4)CCC3)n[nH]c21 1875395150 NNUWJUMIODIPAE-NEPJUHHUSA-N 326.400 2.636 0 50 EFAA Cc1nn2c(c1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)CCC[C@H]2C 1875318936 MLZVDLJGDOWUBB-MRVWCRGKSA-N 333.432 2.710 0 50 EFAA OC[C@@H]1CCCN(CCNCc2ccc(-c3ccccn3)cc2)C1 952982341 OLWLPSAKXLNKLE-GOSISDBHSA-N 325.456 2.543 0 50 EFAA CCc1nccn1CCC(=O)NC1(c2ccccc2)CCOCC1 952989998 QHKHJMALIIDQLM-UHFFFAOYSA-N 327.428 2.658 0 50 EFAA COCCN(Cc1cccnc1)C(=O)[C@@H](c1ccc(C)cc1)N(C)C 952981914 WUZSRKHYKOLQQU-LJQANCHMSA-N 341.455 2.668 0 50 EFAA CC[C@H](O)c1cn([C@H]2CCCN(c3cc(C)ccc3F)C2=O)nn1 881303968 PJARTZXQESOFLN-HOCLYGCPSA-N 332.379 2.537 0 50 EFAA COc1ccn2c(C(=O)N3CC[C@@H](c4cnccc4C)C3)cnc2c1 885748287 OOESCOCQXVDCJO-CQSZACIVSA-N 336.395 2.676 0 50 EFAA C[C@@H]1CN(Cc2nc3ccccc3s2)CCN1c1cnccn1 1460971979 KHJFVAKUTZLAHU-CYBMUJFWSA-N 325.441 2.797 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cccc3ncccc23)CCO1 275310316 BAGQBVFGIQKULN-UGSOOPFHSA-N 336.395 2.618 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3cc[nH]c23)o1 275315614 IQVSIRBJZXNTIR-AWEZNQCLSA-N 340.383 2.888 0 50 EFAA Cc1cc(NC(=O)CCN2CCC[C@H]2c2nc3c([nH]2)CCCC3)no1 276099217 WGZQSAZPOSDQHA-HNNXBMFYSA-N 343.431 2.751 0 50 EFAA CCc1ccc(C(C)(C)CNC(=O)COC[C@@H]2CCCNC2)cc1 170591641 RKZZKASEUXLPDW-QGZVFWFLSA-N 332.488 2.659 0 50 EFAA COC(=O)c1sccc1CN1CCSC[C@@H]1c1cnn(C)c1 170612045 VCCVEDUKNDQKIY-CYBMUJFWSA-N 337.470 2.558 0 50 EFAA CC1(C)CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)C[C@H]1O 279648517 WNKARPPJUVUKJB-UONOGXRCSA-N 344.377 2.962 0 50 EFAA NCc1ccc(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cc1 638375038 VGCRRSVVTYITKN-MRXNPFEDSA-N 332.350 2.862 0 50 EFAA CC(C)NC(=O)c1ccc(NCc2cc3c(cn2)OCCO3)cc1 638921527 NVPJVHQEFWFVTI-UHFFFAOYSA-N 327.384 2.603 0 50 EFAA O=C(Nc1ccsc1Cl)N1CCC[C@H](CN2CCOCC2)C1 189326493 HDKOFTSDVDGOJV-GFCCVEGCSA-N 343.880 2.978 0 50 EFAA CO[C@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)nc2C)C1 191553643 XDHMLQXGARVERP-WBVHZDCISA-N 328.416 2.547 0 50 EFAA CC(=O)NCCCNC(=O)Nc1cccc(Cl)c1Br 191725415 FGBKUECCLVUIDN-UHFFFAOYSA-N 348.628 2.750 0 50 EFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@H](CO)C1 192733541 VOPUUOZDRKUJBO-AWEZNQCLSA-N 331.441 2.970 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNC(=O)Cc2ccccc2Cl)cn1 665651479 OBSFVOBEFVYUFG-SUMWQHHRSA-N 333.819 2.510 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1C(C)C 216868512 PQGWBKLSNQUUOX-DOMZBBRYSA-N 326.799 2.712 0 50 EFAA Cc1oc(-c2ccc(F)cc2)nc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772710823 SJUKRTQDANEADP-DNVCBOLYSA-N 346.402 2.620 0 50 EFAA Cc1cc(C)n2ncc(CN3CCC[C@@]4(CCc5c[nH]nc54)C3)c2n1 1775981097 OKJVVBGZXUMJQC-LJQANCHMSA-N 336.443 2.549 0 50 EFAA Cc1cnc(CN2C(=O)CC[C@H]2CCNCc2ccccc2F)cn1 12156506 QVEVASUMWBWHLS-KRWDZBQOSA-N 342.418 2.595 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)n[nH]1 12317665 HEEPNDMDBQMXBZ-HNNXBMFYSA-N 330.407 2.594 0 50 EFAA O=S(=O)(c1ccccc1)N1CCO[C@@H](CCc2ccccc2)C1 12439523 VAHWCQOZSBEBAY-KRWDZBQOSA-N 331.437 2.709 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 18099168 OUXYCWKAVWSYKK-VBQJREDUSA-N 330.428 2.695 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1OC 19789285 LQJJUXXQTJGLEL-UHFFFAOYSA-N 346.452 2.723 0 50 EFAA Cc1cccc(-c2ncc(-c3nccn3C[C@@H]3CC(=O)N(C)C3)cn2)c1 1857678695 KZMUIPCKPIMFER-OAHLLOKOSA-N 347.422 2.794 0 50 EFAA CCn1cncc1CN1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857701965 UKTNNIAQKFEVBB-IAGOWNOFSA-N 335.492 2.824 0 50 EFAA O=C1C[C@H]2N(Cc3c(Cl)cccc3Cl)CC[C@]23OCCN13 1857726952 GEOLHFWHMBLSJV-HIFRSBDPSA-N 327.211 2.527 0 50 EFAA O=C(CCc1nc2ccccc2s1)Nc1cnn2c1NCCC2 1875250295 MYIVZMPRUUGJDH-UHFFFAOYSA-N 327.413 2.880 0 50 EFAA Cn1c(SCCCC(C)(C)C)nnc1[C@H]1CCS(=O)(=O)C1 225436627 KIXZCAYPBPLNJX-NSHDSACASA-N 331.507 2.636 0 50 EFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCOCC1 238104999 PNVOZUTUEPOBGJ-CABCVRRESA-N 337.803 2.536 0 50 EFAA Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@@H]2CCO[C@H]2C2CC2)c1 365821365 QFXJZFXLWUCHOH-PBHICJAKSA-N 341.415 2.573 0 50 EFAA O=C(c1cncc2ccccc12)N1CCC[C@@H](N2CCCCC2=O)C1 370984483 HLLZPPRWPCICGY-MRXNPFEDSA-N 337.423 2.852 0 50 EFAA O=S(=O)(CCc1noc2ccccc12)NCc1cccc(F)c1 1660531944 MLHIBCIXOSKUDY-UHFFFAOYSA-N 334.372 2.629 0 50 EFAA Cn1cc(CNc2ccc(C(=O)Nc3cnc(C4CC4)nc3)cc2)cn1 900557387 NSVOPEOIGHRDEA-UHFFFAOYSA-N 348.410 2.952 0 50 EFAA Cc1nc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)no1 902990948 SOJPVNPOEWQXPX-HNNXBMFYSA-N 329.400 2.792 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)n(C)n2)cc1F 903658463 OSYPTWOXSDZCFB-UHFFFAOYSA-N 337.298 2.687 0 50 EFAA CCN1CCN(c2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc2)CC1 915319974 DEAKPBVTCQFGRZ-QAPCUYQASA-N 346.475 2.518 0 50 EFAA C[C@H]1OCCN[C@@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 818037207 KYQFXVDLMOTTHC-KCJUWKMLSA-N 329.278 2.685 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)c1cc2n(n1)CCC2 830547679 MGUJUCZVDYKMHF-UHFFFAOYSA-N 335.407 2.964 0 50 EFAA Cc1ccccc1C1=CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 935289938 FERBRUFQRAAFBB-UHFFFAOYSA-N 339.439 2.609 0 50 EFAA O=C(O)CCCCN1CCN(c2cccc(Br)c2)CC1 263565412 FMOILXYOFHVTMB-UHFFFAOYSA-N 341.249 2.826 0 50 EFAA O=C(NC[C@H](CC1CC1)C(=O)O)c1csc(Br)c1 405475053 LPWZWUJBMYNUDB-QMMMGPOBSA-N 332.219 2.741 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 1431366 KRNXOOSGEHCJNG-NSHDSACASA-N 341.289 2.664 0 50 EFAA Cc1cc([C@H](NC(=O)c2cnn3c2CCC[C@H]3C)C(=O)O)ccc1F 2325793526 YULQBWDDYHVBHA-BZNIZROVSA-N 345.374 2.784 0 50 EFAA CC(C)n1ncc(Cl)c1C(=O)N1C[C@@H](C(=O)O)CC12CCCC2 2325808952 DGDYKYFFJOJQMV-NSHDSACASA-N 339.823 2.977 0 50 EFAA CCOc1cccc(N2C(=O)C[C@H](N(C)Cc3ccccc3)C2=O)c1 100566 BWYNWFLLDNVPQF-SFHVURJKSA-N 338.407 2.849 0 50 EFAA Fc1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)cc1 209958 GDQVCJJTYOIELE-UHFFFAOYSA-N 330.344 2.822 0 50 EFAA CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 283929 GNSIXWWNNSEBDT-UHFFFAOYSA-N 346.452 2.994 0 50 EFAA CCOc1ccc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2c1 435669 QPAMZAAMWKBODC-INIZCTEOSA-N 335.425 2.696 0 50 EFAA O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC[C@@H](C2OCCO2)C1 246772655 RMCZMSWXVOTGSO-MMOPVJDHSA-N 341.451 2.892 0 50 EFAA C[C@@]1(C(=O)NCc2ccccn2)CC1(Br)Br 3880782 AOGDTMKPMKJMSU-JTQLQIEISA-N 348.038 2.594 0 50 EFAA Cc1cc(Br)cnc1N1CCN(c2nccs2)CC1 227050047 UYGFARHSUQUGKU-UHFFFAOYSA-N 339.262 2.936 0 50 EFAA O=C(Cn1cnc2cc(F)c(F)cc2c1=O)Nc1ccc(Cl)cc1 114633060 JBJMWEKZOKSZNJ-UHFFFAOYSA-N 349.724 2.967 0 50 EFAA Cn1c(=O)n2n(c1=O)[C@H]1C(C(C)(C)C)=C[C@H]2[C@@H]2C=C(C(C)(C)C)[C@@H]21 104295125 FHSHJADOYHDXJQ-HPEDKQMDSA-N 329.444 2.649 0 50 EFAA CC(=O)NCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67677018 ZNDIRIQFPYXGJK-UHFFFAOYSA-N 346.452 2.760 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)COc2ccccc2F)c1 282514470 OEFVOMLEAGMRHK-PBHICJAKSA-N 345.370 2.548 0 50 EFAA Cc1noc(C)c1CN1CCN(C(=O)c2cccn2C(C)C)CC1 135761248 OASIUVBZNGATKZ-UHFFFAOYSA-N 330.432 2.632 0 50 EFAA CN(C)CCN(C)[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 20542111 BQBMUOOWDFNAIE-HNNXBMFYSA-N 327.875 2.937 0 50 EFAA COc1ccc(-n2ccnc2CN2CCC[C@@H](c3ccn[nH]3)C2)cc1 67771391 GQYKODMKIDZQLF-OAHLLOKOSA-N 337.427 2.984 0 50 EFAA Cc1cc(NC[C@@H](c2ccccn2)N(C)C)nc(-c2cccnc2)n1 65381048 DOJGVVKPFQCOBY-KRWDZBQOSA-N 334.427 2.957 0 50 EFAA O=C(C[C@H]1COCCN1Cc1cnc(Cl)s1)c1ccco1 121084791 MVTQZPZOMQUITO-JTQLQIEISA-N 326.805 2.863 0 50 EFAA C[C@H](CN[C@H]1CCCOc2cc3c(cc21)CCC3)N1CCN(C)CC1 122273684 OYXJLWIGWQCXID-UZLBHIALSA-N 343.515 2.615 0 50 EFAA C[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1c(F)cccc1F 252463393 IIBOEKOVNNHFAP-VXGBXAGGSA-N 332.416 2.506 0 50 EFAA Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@H]2CC=CCC2)c(C)[nH]1 252550410 SORQBBGRYSLNBO-HKUYNNGSSA-N 345.487 2.647 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)n1)N[C@H]1c2ccccc2C[C@H]1O 123582193 DZJWDJNBFWSDDD-RISCZKNCSA-N 337.301 2.880 0 50 EFAA COc1cc(S(=O)(=O)Nc2cc(C)ccn2)c(OC)cc1Cl 36638852 HRHHYWIGQMRQFY-UHFFFAOYSA-N 342.804 2.861 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(c3ccnc4ccccc34)C2)nn1 284500329 KILJOEVVKOKMCY-IBGZPJMESA-N 337.427 2.895 0 50 EFAA O=C(Nc1ccc2c(c1)CCO2)Nc1cnn(C[C@H]2CCCO2)c1 363957702 GDBTYHAUTYBYKE-OAHLLOKOSA-N 328.372 2.641 0 50 EFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ocnc2C2CC2)n1 368051033 JNABIFJVLIHSMI-AWEZNQCLSA-N 326.400 2.972 0 50 EFAA COC1(c2noc([C@H]3CC(=O)N(c4ccc(F)cc4F)C3)n2)CCC1 364483026 WOUWPMRCEGZECW-JTQLQIEISA-N 349.337 2.894 0 50 EFAA COC(=O)c1coc(CN2CCC[C@@H]2c2nc3ccccc3n2C)n1 77554859 GPOZGMOFGVSJKU-OAHLLOKOSA-N 340.383 2.685 0 50 EFAA Cc1cccc(C2(C(=O)N3CCC([C@@H]4C[C@H](N)CCO4)CC3)CC2)c1 333328150 VQQMKSHZVQDUJT-MOPGFXCFSA-N 342.483 2.772 0 50 EFAA COc1ccccc1N1CCC(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)CC1 174459016 XUIIWXZRDJSFNY-HZPDHXFCSA-N 343.471 2.961 0 50 EFAA COc1cc(Cl)cc(CN2CCN(C)C(=O)[C@H]2C)c1OC(C)C 215563898 NIORYCJDCFLVEK-GFCCVEGCSA-N 340.851 2.798 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 156527090 DOXNHIPSPDBAHL-RYUDHWBXSA-N 332.835 2.930 0 50 EFAA CCCOc1ccc(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)cc1 261721901 QVNMAXZAIMKGRR-OAHLLOKOSA-N 346.452 2.554 0 50 EFAA Cc1cnc([C@H](NC(=O)Cc2ccc(C(=O)O)cc2)C2CC2)s1 448986469 IWWDRLPPJQUKFV-OAHLLOKOSA-N 330.409 2.960 0 50 EFAA COc1ccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1N1CCOCC1 71746172 WWCKIXODPQICHJ-CALCHBBNSA-N 342.439 2.570 0 50 EFAA O=C(CCc1ccc(O)nc1)N1CCC[C@H]1COc1ccc(F)cc1 374559065 BLMSEYZDRKEADW-INIZCTEOSA-N 344.386 2.929 0 50 EFAA NC(=O)[C@H](c1ccccc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 285395841 CHSNEFXLQQRBGZ-UNMCSNQZSA-N 349.478 2.811 0 50 EFAA CCc1ccccc1NC(=O)N1CCN(c2ccc(C)nn2)CC1 72140003 YPYCXKANOHWGBX-UHFFFAOYSA-N 325.416 2.702 0 50 EFAA CC(=O)c1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cs1 15069068 JHQSIMRRELCNFA-IAGOWNOFSA-N 336.501 2.762 0 50 EFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1sccc1F 338720286 JWPISPNUDPJZGV-LLVKDONJSA-N 325.386 2.536 0 50 EFAA Cc1oc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)cc1C(=O)O 263323501 JPRWABQMWYACHR-CQSZACIVSA-N 329.352 2.720 0 50 EFAA C[C@H]1Cc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2O1 219714028 WFAZXCDRJFLISB-ZDUSSCGKSA-N 334.379 2.521 0 50 EFAA CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc2ccccc2n1 160273891 GURDPSZCGUTOET-UHFFFAOYSA-N 341.455 2.665 0 50 EFAA CNC[C@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 179009124 AAESDPANKYZJKT-GFCCVEGCSA-N 330.350 2.586 0 50 EFAA COC[C@@H]1[C@@H](NC(=O)c2c(F)ccc(C)c2Cl)[C@@H]2CCO[C@@H]21 223535440 OAYIHAQTPYQOEU-OWLDWWDNSA-N 327.783 2.567 0 50 EFAA O=S(=O)(NC[C@H]1Cc2ccccc21)c1ccc(C(F)(F)F)nc1 181931486 YQYMDCYDVALIDI-LLVKDONJSA-N 342.342 2.719 0 50 EFAA CNc1nc(C[C@H]2COc3cc(OC)ccc3C2)nc2c1CCC2 95366530 ZLPHTPSCBZCIOF-LBPRGKRZSA-N 325.412 2.809 0 50 EFAA CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cn1 181201613 MFTKLAQPHJRKDG-UHFFFAOYSA-N 332.425 2.834 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 95363038 SIQSLFPBFSISPF-KRWDZBQOSA-N 344.434 2.892 0 50 EFAA Cc1ccc([C@@H]2CN(C(=O)c3ncc(F)cc3F)C[C@H]2N(C)C)cc1 95517235 OBYMBQVHFVBJLN-DOTOQJQBSA-N 345.393 2.838 0 50 EFAA Cc1cccnc1CCNC(=O)c1ccn(CCc2ccccc2)n1 296537417 XGKQGZSZVMUFTN-UHFFFAOYSA-N 334.423 2.802 0 50 EFAA CC[C@@H](NC(=O)c1cn2cc(C)ccc2n1)c1cn2cccnc2n1 91350842 PCLUSBLMEBELEG-CYBMUJFWSA-N 334.383 2.567 0 50 EFAA c1csc(-c2nc(-c3nc(CN4CCOCC4)no3)cs2)c1 95389504 BVBXCOAWIWUIRT-UHFFFAOYSA-N 334.426 2.754 0 50 EFAA Cc1oc(=O)n(CCCN2CCN(c3cccc(Cl)c3)CC2)c1C 95371449 IZNCTWDSUCCCSG-UHFFFAOYSA-N 349.862 2.924 0 50 EFAA CCc1noc(C)c1CNC(=O)NC[C@H](c1cccs1)N(C)C 297904123 XTMGVSPLRKESSK-CQSZACIVSA-N 336.461 2.709 0 50 EFAA CCC[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O 185008899 YHHXJTYZSYKNPD-LBPRGKRZSA-N 336.775 2.637 0 50 EFAA O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1cccn1C1CC1 299774471 IUGMIUDHNOKZHV-UHFFFAOYSA-N 329.444 2.734 0 50 EFAA Fc1ccc(N2CCN(Cc3ccc4c(c3)CNCCO4)CC2)cc1 299789533 WWTNYVVIAHKEON-UHFFFAOYSA-N 341.430 2.630 0 50 EFAA O=C(NC1CCN(C2CCOCC2)CC1)c1ccc(F)c(Cl)c1 299787427 WXACPLFHGKUWRE-UHFFFAOYSA-N 340.826 2.852 0 50 EFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)cn1 299797517 OCAPJEXUWLKEDG-IIAWOOMASA-N 343.427 2.609 0 50 EFAA COc1ccccc1Cc1nc(C2(c3ccccc3)CC2)n(CCO)n1 828776678 ICOBQKIFTPWQDW-UHFFFAOYSA-N 349.434 2.950 0 50 EFAA Brc1ccc(-c2noc([C@@H]3CCc4ncnn4C3)n2)cc1 1875259421 LPKQMPLJOYLQTN-SNVBAGLBSA-N 346.188 2.821 0 50 EFAA C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)C2CC(F)(F)C2)C1 1875279593 FUZBEXVVPVNWAB-TZMCWYRMSA-N 344.427 2.539 0 50 EFAA c1cncc(-c2nc3c(c(=NCc4cc(C5CC5)n[nH]4)[nH]2)CCC3)c1 1875275968 WNXWEYFBSVCJAQ-UHFFFAOYSA-N 332.411 2.662 0 50 EFAA Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)O 1875277487 NTZMSSMAHQWHFM-LSDHHAIUSA-N 341.411 2.850 0 50 EFAA COc1ccc2c(N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)ccnc2c1 1875399232 SGVROBZTGRMDKQ-UPRAQXHNSA-N 338.411 2.692 0 50 EFAA Cc1cccc(F)c1CNC(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1875300329 YKPGIEVBCXIPKN-NEPJUHHUSA-N 331.391 2.820 0 50 EFAA O[C@@H](c1ccc(Cl)cc1)c1cn(C[C@H](O)Cc2ccccc2)nn1 1875323117 YAGZPLSAYDKUAV-AEFFLSMTSA-N 343.814 2.617 0 50 EFAA CCc1ccc2cc(C(=O)N3CC[C@H](NC(=O)C(C)(F)F)C3)[nH]c2c1 1875343988 ATEADYMYVRWQPZ-ZDUSSCGKSA-N 349.381 2.716 0 50 EFAA COc1cc(OC)c(C[S@](=O)[C@H]2CCc3ccccc3C2)cn1 1875309528 BEFWRQCADUZLPV-HJPURHCSSA-N 331.437 2.905 0 50 EFAA c1ccc(-c2ccnc(C3CCN(C[C@]45CNC[C@H]4C5)CC3)n2)cc1 952892258 MMWKCAOAFKZJEN-NQIIRXRSSA-N 334.467 2.933 0 50 EFAA C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(CO)nc1 952995260 GKMUSOFJWKFIKZ-NSHDSACASA-N 349.228 2.697 0 50 EFAA CCOC(=O)C1CCN(CCCN(C)C(=O)OC(C)(C)C)CC1 71863843 GZOVZIMHCUQXPE-UHFFFAOYSA-N 328.453 2.519 0 50 EFAA in-vitro COc1ccc2c(c1)C=C(CN(CCN(C)C)C[C@@H]1CCCO1)CO2 952863809 WQLWTZYLCACTEU-IBGZPJMESA-N 346.471 2.514 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 886068608 WXAJKDNGPWBDMO-QWHCGFSZSA-N 347.381 2.849 0 50 EFAA C/C(=C\C(=O)N1CCN(C)[C@H](c2nc(C)no2)C1)c1ccccc1C 886031123 SLEAHBICWHXBRL-WKOYGUFESA-N 340.427 2.605 0 50 EFAA Cc1cccc(O)c1C(=O)Nc1ccc(F)c(N2CCOCC2)c1 888100488 ACPLCKKUQQQNRU-UHFFFAOYSA-N 330.359 2.929 0 50 EFAA O=C(c1ccc2nc(S)oc2c1)N1CCO[C@@H](c2ccco2)C1 170657288 ZWELJYJCJBDNLJ-CQSZACIVSA-N 330.365 2.923 0 50 EFAA C[C@H]1CCCc2nc(S(=O)(=O)N(C)c3ccc(F)c(F)c3)cn21 668108386 IWXFDIMUBSCHRH-JTQLQIEISA-N 341.383 2.884 0 50 EFAA O=C(NCc1cccc(C(=O)O)c1)N[C@H](C1CCC1)[C@@H]1CCCO1 635519018 IJBWUJAZADVSJV-JKSUJKDBSA-N 332.400 2.532 0 50 EFAA O=C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)[C@H]2CCC[C@H]12 408523434 RQDDXPJOBLEEOP-ZFWWWQNUSA-N 341.436 2.718 0 50 EFAA CCOC[C@@H]1CCN(C(=O)[C@@H](CN2CCCC2)c2ccccc2)C1 408518033 SGPKAARTAWJHSF-MJGOQNOKSA-N 330.472 2.751 0 50 EFAA CCN1CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1=O 190226509 RWHRMQAAXVERDN-UHFFFAOYSA-N 332.835 2.580 0 50 EFAA CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)Cc1ccccc1 191172827 KULHEIXJALSURC-AZUAARDMSA-N 346.471 2.702 0 50 EFAA C[C@@H](CNC(=O)c1cc(C(=O)O)co1)c1nc(-c2ccccc2)no1 191633097 VYUODKBUPQYNKJ-JTQLQIEISA-N 341.323 2.561 0 50 EFAA Cc1ccc(-c2ncc(C(=O)N3CCCNC(=O)[C@@H]3C)s2)c(C)c1 682685360 DUZLPMIADNMHRZ-ZDUSSCGKSA-N 343.452 2.778 0 50 EFAA O=C(C[C@@H]1CCCOC1)Nc1nc2ccccc2nc1N1CCCC1 193472869 GJNKTZHTSJOKJL-AWEZNQCLSA-N 340.427 2.985 0 50 EFAA C[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C1CCC(F)CC1 663428961 XGHARIKUXQLVBW-ZOODHJKOSA-N 343.420 2.721 0 50 EFAA Cc1cc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)nn1C 1529179600 DGILFVOTMAFYRD-MSOLQXFVSA-N 327.428 2.967 0 50 EFAA COCCN(C)CC(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529159656 WZGBOSYWCZIJLR-ZWKOTPCHSA-N 348.487 2.579 0 50 EFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)C1CCOCC1 1529194713 CATOSEMKMVQGTF-UHFFFAOYSA-N 329.400 2.769 0 50 EFAA Cc1occc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12056464 ISSJHVXAUFCFNE-MRXNPFEDSA-N 340.427 2.757 0 50 EFAA O=C(CCc1ccccn1)N[C@H]1CCCN(CCc2ccccc2)C1 12307538 XBFWRTNPEDWDPU-FQEVSTJZSA-N 337.467 2.838 0 50 EFAA Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 12365968 NKLYLAWZYMAIJY-INIZCTEOSA-N 337.420 2.865 0 50 EFAA Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1C 12439356 NCCREFDYOVYRJL-MRXNPFEDSA-N 328.416 2.640 0 50 EFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3CCCN3C(=O)[C@@H]2C)c1 1857702591 OPAGWVMQAMBKLL-DOTOQJQBSA-N 338.455 2.889 0 50 EFAA Cn1nncc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 225567031 AJUSKFFXRCYYLN-UHFFFAOYSA-N 349.110 2.849 0 50 EFAA CC(C)n1ncnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 225718839 KIDKFFLPLPVEOO-LLVKDONJSA-N 342.369 2.981 0 50 EFAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 631462174 VZJACPQVIJTQED-VYDXJSESSA-N 339.439 2.697 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(C[C@@H]3C[C@H]3c3ccccc3)C2)n1 329827734 RQIXAGQCZAWOKH-BZSNNMDCSA-N 338.455 2.683 0 50 EFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 238105939 OJNRDQITNWXHES-KBPBESRZSA-N 337.803 2.536 0 50 EFAA O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)N1CC(F)C1 680264829 AHCOMLMWLPYJFK-UHFFFAOYSA-N 334.391 2.633 0 50 EFAA CCOc1ccccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 363519526 IJJNGBKNUPDFMK-IAGOWNOFSA-N 331.460 2.854 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCN(Cc2ccccc2Cl)CC1 158533274 RQTWZSXUVKZDRC-UHFFFAOYSA-N 344.846 2.510 0 50 EFAA FC(F)(F)c1nnc(N2CCCN(c3ccncc3)CC2)s1 795163453 JJQZIZFXEBVMBC-UHFFFAOYSA-N 329.351 2.669 0 50 EFAA O=C(O)c1ccnc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 263377703 BUPTWHRTQUIOEA-UHFFFAOYSA-N 328.343 2.971 0 50 EFAA C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1cnn(C)c1 266572376 WEFQEOCKPNFLBF-DZGCQCFKSA-N 330.407 2.894 0 50 EFAA O=C(O)[C@@H](N[C@@H](CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 36408050 AJMYNFGVKPOATE-SNXNFCLHSA-N 329.440 2.979 0 50 EFAA in-vitro CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1 1260801454 CUOGFYRVZLPPNZ-UHFFFAOYSA-N 341.392 2.994 0 50 EFAA CC(C)c1ncsc1NC(=O)N1CC(=O)NC[C@H]1c1ccccc1 931666948 IDCGLZIURHPAKU-ZDUSSCGKSA-N 344.440 2.972 0 50 EFAA COC(=O)c1sc(SCC(=O)O)c2c1CC(C)(C)CC2=O 2080317904 HANKRPBITFPWEW-UHFFFAOYSA-N 328.411 2.867 0 50 EFAA CCOc1cc(CNC(=O)Nc2ccc3nc(C)cn3c2)ccn1 2325734832 QVHHPGGJEVLBAA-UHFFFAOYSA-N 325.372 2.758 0 50 EFAA O=C1NCC[C@@]12CCN(Cc1csc(-c3ccccc3F)n1)C2 2325793548 ZXNHQIPUOLPHCL-KRWDZBQOSA-N 331.416 2.661 0 50 EFAA Cc1cc(=O)oc2cc(OCc3nnc4cccnn34)c(Cl)cc12 2325869272 GIDHEYOUOGRZIV-UHFFFAOYSA-N 342.742 2.772 0 50 EFAA COC(=O)c1sccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 70091 KEWKOHHMZAYKDK-QWRGUYRKSA-N 337.397 2.920 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1OC 328778 LOQCRTLQSJANSG-UHFFFAOYSA-N 334.372 2.970 0 50 EFAA Cc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 361569 OBBNPIXHQZTOIW-UHFFFAOYSA-N 348.366 2.616 0 50 EFAA COc1ccc(C)cc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 567033 IDTNNOFMRARRHF-UHFFFAOYSA-N 348.424 2.652 0 50 EFAA CCC(CC)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3505921 HMJIHMSVNNIGBY-UHFFFAOYSA-N 338.473 2.780 0 50 EFAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12 4344176 KEQKJKJZWCBCFD-LBPRGKRZSA-N 339.800 2.731 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 6701532 HUHMNKPPZQWWEU-UHFFFAOYSA-N 334.397 2.763 0 50 EFAA CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2)CC1 6715966 SKRUBGQBBBBRCM-UHFFFAOYSA-N 331.460 2.976 0 50 EFAA COc1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc(OC)c1 6742209 CIQOKGDPAFIBON-VVUBSENTSA-N 333.384 2.779 0 50 EFAA O=C(NCCC[C@H]1CCC[C@@H]1O)c1cc(F)cc2nc(S)[nH]c12 134827671 KNIWNUIQLJYZNY-RNCFNFMXSA-N 337.420 2.662 0 50 EFAA Cc1cccc(N2CCC(NC(=O)c3cccc4c3OCO4)CC2)n1 116666802 JJFCODLXJHLASP-UHFFFAOYSA-N 339.395 2.518 0 50 EFAA O=C(CCNc1ncc2c(n1)CCN2c1ccccc1)N1CCCC1 65504723 ILEXTHSQWLVCFQ-UHFFFAOYSA-N 337.427 2.595 0 50 EFAA COc1ccc(F)cc1S(=O)(=O)N[C@H](C)COc1ccccc1 65362012 JPCFXZBRIKYIPK-GFCCVEGCSA-N 339.388 2.580 0 50 EFAA Cc1ccc(CN2CC[C@@H](CNC(=O)Cc3cccnc3)C2)cc1C 67689227 DPBLPXPZDRBYRF-FQEVSTJZSA-N 337.467 2.879 0 50 EFAA C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 65363078 RGHFCPQBPVPCNO-CYBMUJFWSA-N 332.425 2.573 0 50 EFAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCN(C)c2ccccc21 110479916 XDQIGZQKOPJXPJ-UHFFFAOYSA-N 334.370 2.921 0 50 EFAA CC(C)(CS(C)(=O)=O)NCc1ccc(-c2ccncc2)cc1F 358301037 PWCZGXDDYXVXGN-UHFFFAOYSA-N 336.432 2.801 0 50 EFAA Cc1ccc(Cl)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1F 67884911 JKYOSQLKJCBGDH-GFCCVEGCSA-N 348.871 2.549 0 50 EFAA NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1c1cccs1 252477533 QBHRYOFLKQSXGZ-DZGCQCFKSA-N 329.425 2.821 0 50 EFAA O=C(O)c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)c(F)c1 358611821 OJOIUUZFHIPUHJ-UHFFFAOYSA-N 339.326 2.640 0 50 EFAA CCN(C(=O)CCN1CCN(C2CCCC2)CC1)c1ccccc1 65493634 ZJUVSNJQEGWJJV-UHFFFAOYSA-N 329.488 2.990 0 50 EFAA CC(=O)N1CCC(N2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 22078518 BFRAASKCBXSFQW-UXHICEINSA-N 333.520 2.726 0 50 EFAA CN(CCC(=O)NC1CCCCC1)Cc1nc2ccccc2n1C 65493930 XSJXKYCJYCBLIF-UHFFFAOYSA-N 328.460 2.844 0 50 EFAA CC[C@@H](C)NC(=O)CN1C[C@H](C)Oc2ccc(Br)cc21 252539721 OLCQAHQSKRMPEI-MNOVXSKESA-N 341.249 2.951 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 328656189 ZCDJVUGWJKFZSA-GUDVDZBRSA-N 327.472 2.941 0 50 EFAA Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)o1 67773234 LCDUZLGFSALBIG-MRXNPFEDSA-N 345.487 2.543 0 50 EFAA FC(F)(F)Cc1noc(CN2CCO[C@H](c3cccs3)C2)n1 328652995 KHFISQIEVUSSJK-VIFPVBQESA-N 333.335 2.809 0 50 EFAA CC(C)c1nccn1Cc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1 11817626 KYRAEGCZGPHKNN-UHFFFAOYSA-N 349.438 2.976 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)o1 67956431 AAFHWBCTNFHVKR-CQSZACIVSA-N 331.416 2.780 0 50 EFAA Cc1nc(CCN)cc(N2CCc3[nH]c4c(Cl)cccc4c3C2)n1 67886370 FNGCXBPEQXHBHQ-UHFFFAOYSA-N 341.846 2.984 0 50 EFAA O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nnn[nH]1)c1ccsc1 253421268 UDLPEXDYCBFBGM-NSHDSACASA-N 337.767 2.573 0 50 EFAA CCOC(=O)CN(C(=O)c1ccc2ncoc2c1)c1ccc(F)cn1 253416224 CDXQTYRRWFZVSJ-UHFFFAOYSA-N 343.314 2.572 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)NCCSC(C)(C)C)cc1 4109897 SYGFLFFZMYNVDU-UHFFFAOYSA-N 330.475 2.515 0 50 EFAA CN[C@@H]1CCN(c2ccc(-c3ccc(Br)s3)nn2)C1 259273764 MUWAJWRRUAMLOD-SECBINFHSA-N 339.262 2.766 0 50 EFAA O=C(O)Cc1ccc(CN2CCCC[C@H]2CCn2cccn2)cc1 77520419 SSYKMWCBBMQSBA-SFHVURJKSA-N 327.428 2.955 0 50 EFAA O=C1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)N1 126650794 BXXLPRYITJUAKL-HNNXBMFYSA-N 334.847 2.937 0 50 EFAA N=C(O)C[C@@H]1COCCN1C(=O)c1csc(C2CCCCC2)n1 334001372 RWBIOTBFUUJVJP-GFCCVEGCSA-N 337.445 2.957 0 50 EFAA O=C(c1ccncc1Cl)N(Cc1ccccn1)[C@@H]1CCCNCC1 261925053 ZDZFLDAETUIEAH-OAHLLOKOSA-N 344.846 2.915 0 50 EFAA CCN1C[C@H](C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1=O 75723710 GDVOLVMIYHZQQD-SNVBAGLBSA-N 335.454 2.987 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCO1 238051687 VKAGBESOPYJGCV-INIZCTEOSA-N 343.379 2.581 0 50 EFAA COC(=O)c1cccc(CN2CCCC[C@@H]2CCN2CCOCC2)c1 72134658 RHEDOLXEHDODDH-LJQANCHMSA-N 346.471 2.550 0 50 EFAA O=C(OC[C@@H]1CCCCN1Cc1nc(C2CC2)no1)N1CCCC1 375802450 UCPJFINVVDMUKM-AWEZNQCLSA-N 334.420 2.534 0 50 EFAA CN(Cc1cnn(C)c1)Cc1nc2cc(Br)ccc2o1 285158599 LGQZFRJVSJJFDN-UHFFFAOYSA-N 335.205 2.956 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)NCc1nnc(-c2ccccc2)o1 215227477 HDSCVHHPRWPPRD-UHFFFAOYSA-N 347.378 2.862 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](C)c3ccncc3F)C2)n1 242389399 ZWYHJNFHERKSNT-CMPLNLGQSA-N 333.367 2.562 0 50 EFAA Cc1ccc(-c2nc(CCNC(=O)NC[C@@H](O)C3CCC3)co2)cc1 458238817 NLPPWLCGIREGFC-QGZVFWFLSA-N 343.427 2.653 0 50 EFAA O=S(=O)(C[C@@H]1CCCCO1)Nc1cc(F)c(F)cc1Cl 176726135 DFACZARBSICGQX-QMMMGPOBSA-N 325.764 2.929 0 50 EFAA CC(C)c1noc(-c2ccc(NC(=O)N3CC[C@@H](C(=O)O)C3)cc2)n1 263498311 RXDOPKZNSNKLDQ-GFCCVEGCSA-N 344.371 2.798 0 50 EFAA CCc1nn(C)c(CC)c1CNC(=O)N1CCCc2occc2C1 292776237 BVEFTOBVULLYHZ-UHFFFAOYSA-N 330.432 2.796 0 50 EFAA CCOc1ccc(OCC)c(-c2c(C)n(O)c3c([n+]2=O)CCC3)c1 136339246 XFROTUVHFBYYDU-UHFFFAOYSA-N 331.392 2.901 0 50 EFAA O=C(O)C[C@H](NC(=O)c1occc1Br)c1ccccc1 178278550 UXBSBRFPBWTYNR-NSHDSACASA-N 338.157 2.988 0 50 EFAA CC[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CCN1C(C)C 82120183 HNGAWGBHOCNLFR-ZDUSSCGKSA-N 328.378 2.978 0 50 EFAA CCOC(=O)C1(c2ccncc2)CCN(C(=O)OC(C)(C)C)CC1 91297311 SWCFLUIFMCJXPG-UHFFFAOYSA-N 334.416 2.913 0 50 EFAA Nc1nc(-c2cc(F)cc(C(F)(F)F)c2)cc(N2CCOCC2)n1 97572187 JSBVCUDCGUGZHY-UHFFFAOYSA-N 342.296 2.720 0 50 EFAA O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@@H](Cc2ccccc2)C1 181183088 GARXSMACJJMBNX-INIZCTEOSA-N 348.402 2.612 0 50 EFAA CC[C@@]1(C(=O)O)CCCN(Cc2cc(OC)c(OC)cc2F)C1 91818948 CFRNRYIUHRWERD-QGZVFWFLSA-N 325.380 2.920 0 50 EFAA CN(Cc1nc(-c2ccccn2)no1)c1ncc(C(=O)O)cc1Cl 96137757 KQPRYZDYIKIIBO-UHFFFAOYSA-N 345.746 2.515 0 50 EFAA c1cc2c(cc1Cn1nc(C3CCOCC3)nc1C1CC1)OCO2 97759320 SUFXZLGBLGXKAR-UHFFFAOYSA-N 327.384 2.827 0 50 EFAA C[C@H](C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1 91845796 AQINMTNMAXOEJD-MRXNPFEDSA-N 344.503 2.874 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)N[C@H]3CC[C@H](O)CC3)s2)cc1 244734701 NKGCCGVTOVRGHS-JOCQHMNTSA-N 332.429 2.939 0 50 EFAA Cc1cnc([C@H](C)NC(=O)N2CCC(Cc3cccnc3)CC2)[nH]1 534581951 BYPSIWDLYFQVIG-AWEZNQCLSA-N 327.432 2.838 0 50 EFAA CNC(=O)CCCNC(=O)N(Cc1ccc(SC)cc1)C1CC1 534676106 NRYIKHZSPYTUTA-UHFFFAOYSA-N 335.473 2.609 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 299798490 RYXNSJRTVYAECV-SFHVURJKSA-N 340.471 2.597 0 50 EFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CCc2cnn(C)c2)c1 828065406 MYFGLMFRGFFGDY-CYBMUJFWSA-N 326.400 2.507 0 50 EFAA Cc1cc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)nc(C)n1 825261494 XABQPRTUYWJCRA-HNNXBMFYSA-N 331.441 2.976 0 50 EFAA CCc1nccn1CCC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 823557580 WDFUIAASZDBCQQ-OAHLLOKOSA-N 346.500 2.678 0 50 EFAA NC(=O)[C@@H](F)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 685943173 FNTTWZMZOWRHLL-ZDUSSCGKSA-N 339.461 2.907 0 50 EFAA COc1cccc(N[C@H](C)C2(O)CCOCC2)c1Br 1875285020 ADICBPIVOPLTLZ-SNVBAGLBSA-N 330.222 2.800 0 50 EFAA CC[C@@]1(C(F)(F)F)CN(C(=O)Nc2nc(C)ccc2OC)CCO1 1875268632 XNBJRTJIBLAMPQ-AWEZNQCLSA-N 347.337 2.974 0 50 EFAA Cc1cc(CN2CCC(Cc3ccccc3C(=O)O)CC2)n(C)n1 1875270616 LRJSKZXFRSMXIG-UHFFFAOYSA-N 327.428 2.881 0 50 EFAA C[C@H](CN(C)Cc1ccc(-c2cccnc2)cc1)N1CCOCC1 952987357 HFLKGWMWXRASGH-QGZVFWFLSA-N 325.456 2.901 0 50 EFAA O=C(Nc1cnc2c(c1)COCC2)C1CCC(OC(F)F)CC1 888090937 KAFSWVDQDVMWSO-UHFFFAOYSA-N 326.343 2.891 0 50 EFAA CN1C(=O)C[C@@H](CN[C@@H]2CCCC23CCOCC3)[C@@H]1c1ccncc1 888076467 NJLPBHSZWCGBMJ-SCTDSRPQSA-N 343.471 2.540 0 50 EFAA Cc1nc2ccccc2c(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1C 888102328 RHZIRXCQRVDVMH-CHWSQXEVSA-N 337.345 2.952 0 50 EFAA Cc1c(C(=O)N2CCOC[C@@]2(C)C2CC2)nc(O)c2ccccc12 890590590 JURUBXFDXGVWQB-IBGZPJMESA-N 326.396 2.890 0 50 EFAA C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCC(F)F)C1 1775994762 BEKOKWANMVMSAA-UKRRQHHQSA-N 346.443 2.787 0 50 EFAA OC[C@@]12CCCN[C@H]1CCN(Cc1cnc(-c3ccccc3)s1)C2 1565510926 GTKYVOYEBAHSMC-HKUYNNGSSA-N 343.496 2.747 0 50 EFAA CCS(=O)(=O)c1ccccc1N[C@H]1CCO[C@]2(CCSC2)C1 276386636 ZXVXPYWVEBXCNK-XJKSGUPXSA-N 341.498 2.947 0 50 EFAA O=C(Nc1cccc2[nH]ccc12)C(=O)N1CCCC[C@H]1c1cn[nH]c1 170603767 IVJJBJBQACKNTC-INIZCTEOSA-N 337.383 2.583 0 50 EFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CCOc1ccccc1 279608871 QNIZGLVKMHCQTN-CQSZACIVSA-N 329.400 2.722 0 50 EFAA Cc1noc(C2CCN(C(=O)[C@H]3CCCc4c(O)cccc43)CC2)n1 190169376 YOADJBZELNKETG-INIZCTEOSA-N 341.411 2.910 0 50 EFAA CNC(=O)c1cccnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 225422263 VANPJHTZONECHT-CQSZACIVSA-N 341.386 2.680 0 50 EFAA CCc1cccnc1-c1noc(C2CCN(C(=O)N(C)C)CC2)n1 225595916 AUXUCVGQODYLSF-UHFFFAOYSA-N 329.404 2.555 0 50 EFAA Cc1cnccc1CC(=O)NC1(c2ccc(F)cc2)CCOCC1 192662452 FPMJPXPEDYCCGR-UHFFFAOYSA-N 328.387 2.894 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNCc2ncccc2N(C)C)cn1 657469907 CBDOSYJGBAZFHA-HNAYVOBHSA-N 343.475 2.622 0 50 EFAA Cc1cccc2c1O[C@@H](C(=O)N1C[C@H](C)C(=O)Nc3ccccc31)C2 659364307 KAORSKXHTWHANE-SUMWQHHRSA-N 336.391 2.920 0 50 EFAA Cc1cccc(NC(=O)CC(=O)N[C@H](C)c2cn3ccsc3n2)c1 1506424987 AORICOYHOWPYGJ-GFCCVEGCSA-N 342.424 2.910 0 50 EFAA O=C(O)Cc1ccc(CN(Cc2ccncc2)C[C@H]2CCCO2)cc1 1529196341 YGMWIRSNVRAAFN-LJQANCHMSA-N 340.423 2.890 0 50 EFAA Cn1cncc1CN(CCO)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 1704307983 OGHNSOWFQFIMNJ-LGMBCPCJSA-N 345.487 2.738 0 50 EFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 110632623 ZJEPVFQELLKNLA-FGTMMUONSA-N 343.471 2.714 0 50 EFAA CSC[C@@](C)(O)CNC(=O)c1ccc(Br)c(C)c1 123042616 TYGOFKZABDQQBB-ZDUSSCGKSA-N 332.263 2.601 0 50 EFAA CCOc1ccc(C(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1 12138489 ZFSWIUGWNPPEJT-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA O=C(Nc1ccccn1)C1CCN(C(=O)c2cccc(F)c2)CC1 12864099 BXQRQIAKDJFTDL-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA O=C(Nc1cccc(NC(=O)c2nc[nH]n2)c1)c1cccc(Cl)c1 13111657 HJHAAJHYCCWUOM-UHFFFAOYSA-N 341.758 2.963 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 13124689 XEUWTDBMZRSHIB-AWEZNQCLSA-N 336.351 2.508 0 50 EFAA COc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1OC 13746639 QZBQUMYUCSTDCG-UHFFFAOYSA-N 333.291 2.826 0 50 EFAA CCCCc1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 14291564 AFABCFFZMQMMQS-UHFFFAOYSA-N 328.397 2.746 0 50 EFAA CC[C@@H](C)CNC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 14968885 WXPRRLACAISHHB-CQSZACIVSA-N 345.443 2.958 0 50 EFAA CC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(noc2C)C[C@]1(C)O 15724199 WJFPHIALWKFGEJ-OTWHNJEPSA-N 328.412 2.693 0 50 EFAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1 16605654 MPPCLNBHVABINL-HNNXBMFYSA-N 330.472 2.933 0 50 EFAA COc1ccc(-n2nnc(C(=O)NCc3ccco3)c2C(C)C)cc1 16648918 CFIARYAIUDOHCW-UHFFFAOYSA-N 340.383 2.922 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 18204016 COXDUHVXCKQHRJ-GFCCVEGCSA-N 339.189 2.640 0 50 EFAA O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1 19316226 LUEPPXUOEIRTKP-SNVBAGLBSA-N 343.663 2.506 0 50 EFAA CCC[C@H](C)CC(=O)N1CCOC2(CCS(=O)(=NCC)CC2)C1 1857528038 YTURQQPVDGXDDJ-POFQCLBPSA-N 344.521 2.692 0 50 EFAA CCCN(CCc1ccccn1)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528467 INPZVMVMQFHGPQ-KGLIPLIRSA-N 342.443 2.922 0 50 EFAA O=C1C[C@H]2N(Cc3ccccc3)CC[C@]23O[C@H](c2ccccc2)CN13 1857697584 FFHJOTXUQYVPFU-ZVDOUQERSA-N 334.419 2.961 0 50 EFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]12 1857698536 WRHGDPJINGKZKH-CJCBUOBESA-N 345.414 2.828 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c(C)c1 1857720624 CBMZODCYYGWECN-OKZBNKHCSA-N 328.456 2.593 0 50 EFAA O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(OCCO)CC1 332524122 NVHYTPPHNMDWMF-UHFFFAOYSA-N 334.803 2.502 0 50 EFAA O=C(CCCc1csc2ccccc12)N1CCC[C@](O)(CO)C1 457911699 IQLAYZJNTTZMAQ-GOSISDBHSA-N 333.453 2.570 0 50 EFAA COC[C@@H]1CN(C(=O)c2c(Cl)cccc2OC)CC(C)(C)O1 348116863 LFLPFDKQSCNOHH-NSHDSACASA-N 327.808 2.615 0 50 EFAA COCc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 348260506 NUIRPFRROFNBTK-ZWKOTPCHSA-N 329.371 2.920 0 50 EFAA c1cc(-c2nnc3ccc(N4CCC(NC5CC5)CC4)nn23)cs1 253430459 LJBAFUMQRTVAKF-UHFFFAOYSA-N 340.456 2.574 0 50 EFAA CC(=O)NC(C)(C)c1noc(C2CCN(Cc3ccccc3)CC2)n1 264988129 IXWSGLVGFIVNKF-UHFFFAOYSA-N 342.443 2.820 0 50 EFAA Cc1noc(CN(C)C(=O)c2c(F)ccc(Br)c2C)n1 824376065 IJEBKIOIWGSNCU-UHFFFAOYSA-N 342.168 2.860 0 50 EFAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc[nH]c2C12CCC2 829099273 FSAKODYMPKBQQQ-LBPRGKRZSA-N 329.375 2.780 0 50 EFAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CCN2CCCC[C@@H]2C1 930950892 VUMHGSGWOKWQOP-LLVKDONJSA-N 334.370 2.811 0 50 EFAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(Cc3nocc3C)CC2)n1 931840531 IDSROLMNRJLXOY-WBVHZDCISA-N 346.431 2.849 0 50 EFAA CCc1cc(NC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)no1 933342250 DCNHBWVSJDUZOY-UHFFFAOYSA-N 339.277 2.790 0 50 EFAA C[C@@]1(C(=O)NCCc2cnc(C3CC3)nc2)CCOc2ccccc21 935087104 PWRUEHHPWSXJJP-HXUWFJFHSA-N 337.423 2.753 0 50 EFAA Cc1ccc(NC(=O)CN2CCC[C@H](C3OCCO3)C2)cc1Cl 263644085 DNPKLNRFSUEAPQ-ZDUSSCGKSA-N 338.835 2.672 0 50 EFAA CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cc(=O)cc[nH]2)cc1 408522278 GRLVEXUJVAWETG-UHFFFAOYSA-N 343.383 2.652 0 50 EFAA O=C(Nc1cnsc1)N1C[C@H]2C(F)(F)C(F)(F)[C@@]2(Cl)C1 2325763775 GEOJHPPWSABKEB-HTRCEHHLSA-N 329.706 2.869 0 50 EFAA CC[C@@H](C(=O)N1CCC[C@@H]1c1cccc(OC)c1)N1CCCC1=O 2325768077 BOZVOWIKCBMUAX-DLBZAZTESA-N 330.428 2.760 0 50 EFAA Cc1cn2c(n1)CC[C@H](CN(C)C(=O)c1n[nH]c3ccc(F)cc13)C2 2325773459 DCEMRIONFYLZDM-GFCCVEGCSA-N 341.390 2.542 0 50 EFAA CCCn1nc(C)c(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1C 131976464 UEJFHMRSVHDMLH-UHFFFAOYSA-N 342.443 2.578 0 50 EFAA O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@@H]1CCCO1 1065967 LCIZNURUWMASGP-INIZCTEOSA-N 342.395 2.733 0 50 EFAA Sc1nnc(SCCSc2nnc(S)s2)s1 2243848 PVMJDOURKFUWGA-UHFFFAOYSA-N 326.544 2.851 0 50 EFAA COc1ccccc1OCCSc1nnc2nc(C)cc(C)n12 4511554 RUGZDJXJHMNLER-UHFFFAOYSA-N 330.413 2.921 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 4814425 UCHNOGJQWBWLHE-CQSZACIVSA-N 343.427 2.765 0 50 EFAA CC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 6211356 VYJZDVWWXZTVSL-UHFFFAOYSA-N 332.381 2.513 0 50 EFAA CSc1ccc(CN(C(=O)[C@@H](N)Cc2cscn2)C2CC2)cc1 55341453 BJEZGGZZJUYHBK-INIZCTEOSA-N 347.509 2.926 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)C(=O)N(C)C1CCCCC1 248072014 SJNBGIBBXIOUJM-AYOQOUSVSA-N 349.519 2.641 0 50 EFAA Cc1csc(CN(C)C(=O)c2c(C)nn3c(C)cc(C)nc23)n1 118256740 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EFAA CN1CCC(N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)CC1 20206679 RUWYMIZOHLURKZ-LJQANCHMSA-N 337.467 2.625 0 50 EFAA O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(c2ccncc2)=NO1 252496882 PTPWJTRNVTZSDZ-MRXNPFEDSA-N 329.787 2.587 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N(CCO)Cc1ccc(Cl)cc1 252501756 UJKUCJADLUHHTM-UHFFFAOYSA-N 331.799 2.910 0 50 EFAA CCOc1cccc2c1OC[C@H](C(=O)O[C@@H]1[C@H]3CCO[C@H]3C1(C)C)C2 252515487 KKAWYKXSEOJKCP-LTCOOKNTSA-N 346.423 2.993 0 50 EFAA Fc1ccc(OCc2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)cc1 230198309 WDXJAAZSZYMOHF-HZPDHXFCSA-N 347.390 2.931 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)cs1 67473431 XULQMBSURUPQFB-UHFFFAOYSA-N 342.428 2.514 0 50 EFAA COc1ccc(F)cc1[C@@H]1CC(=O)NCc2nc3sccn3c21 65380991 DTNWHPSWTRTRBK-NSHDSACASA-N 331.372 2.695 0 50 EFAA Cc1c(CNC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cnn1C 122069208 PFDRUNPTZBIIFV-CQSZACIVSA-N 348.834 2.745 0 50 EFAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)C1(c2ccccc2)CCCC1 253394724 AOCZNTIYZQHSST-QRVBRYPASA-N 343.467 2.887 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 39027927 MLXHSDCSBUGOLZ-JTQLQIEISA-N 330.381 2.623 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 253432586 LMIPBUXSBAWGNG-ZFWWWQNUSA-N 330.436 2.855 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)c2cncc(C)c2)C1 172959672 WMDBZOWMMDOCOK-OAHLLOKOSA-N 325.412 2.655 0 50 EFAA CCn1cnnc1[C@@H]1CN([C@H](C)c2ncc(C(C)(C)C)o2)CCO1 328627893 GSJQXNZLEUPOFZ-OLZOCXBDSA-N 333.436 2.718 0 50 EFAA C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)nc2)C1 363209372 NXIRUDSPZBTXJG-LSDHHAIUSA-N 327.432 2.893 0 50 EFAA COc1cccc(-n2cc(CN(C)C(=O)c3nc(C)oc3C)cn2)c1 72425401 IIFQOEPIGCABIP-UHFFFAOYSA-N 340.383 2.758 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H]3CC34CCNCC4)[C@H](C)CO2)c1 261933565 LPEZNCXCVFYSNX-NEWSRXKRSA-N 342.483 2.982 0 50 EFAA Cn1c(C(=O)NCc2nc(-c3ccccc3F)cs2)cccc1=O 373334776 VRJLXCKSHOBZFF-UHFFFAOYSA-N 343.383 2.578 0 50 EFAA O=C(O)C[C@H](C[P@]1(=O)Oc2ccccc2-c2ccccc21)C(=O)O 34064805 XZAXQWXHBDKYJI-JNDILOIQSA-N 346.275 2.825 0 50 EFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](c3ccco3)C2)n[nH]1 377607544 KPFYLUGPFIPHOO-ZDUSSCGKSA-N 339.399 2.650 0 50 EFAA CC[C@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1cnn(C)c1 72440110 AVZMIRAVIWBTSA-ZDUSSCGKSA-N 338.371 2.534 0 50 EFAA Cc1ccc(Cl)cc1N(C)C(=O)c1c2n(c(=O)n1C)CCCC2 452536866 ZDQDSHCWTJAIHC-UHFFFAOYSA-N 333.819 2.762 0 50 EFAA CC(C)[C@H](O)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72433224 MYLHTCPISHCECB-AWEZNQCLSA-N 345.361 2.532 0 50 EFAA CC(C)n1c([C@H](C)NC(=O)[C@@H]2CSC(=O)N2)nc2ccccc21 174984455 WULQUPWXHIWLHS-JQWIXIFHSA-N 332.429 2.619 0 50 EFAA COc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 47524088 WBRXFTXRMZWZSB-UHFFFAOYSA-N 334.416 2.825 0 50 EFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 339188262 INBYZDNBTYVIMN-LSDHHAIUSA-N 327.384 2.593 0 50 EFAA O=C(O)c1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 263432896 NWOZCXLLOKQHFI-QGZVFWFLSA-N 340.379 2.601 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCO[C@@H](c4cccnc4)C3)cc2c1 223880708 IHNAVWXRYHEHBP-GOSISDBHSA-N 337.379 2.785 0 50 EFAA CC[C@H](NC(=O)c1ccccc1)c1noc(Cc2cnn(C)c2C)n1 293089385 SCVSETREZUOCTL-HNNXBMFYSA-N 339.399 2.583 0 50 EFAA O=C(NCCCc1nn[nH]n1)N1CCCCC[C@@H]1c1cccc(F)c1 426648183 RZFPYKFSRONCDK-OAHLLOKOSA-N 346.410 2.598 0 50 EFAA COCCN1CC[C@@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 91526184 OOPGVUJMIVXPFG-GOSISDBHSA-N 348.462 2.575 0 50 EFAA O=C(c1ccco1)N1CCC[C@H](Nc2nccc(-c3ccccn3)n2)C1 97570890 CROGJCXIPJXSCS-AWEZNQCLSA-N 349.394 2.848 0 50 EFAA COCC1(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)CCC1 97819614 FEVQKGMBFYEQQS-QGZVFWFLSA-N 334.435 2.896 0 50 EFAA O=C(O)[C@H]1C[C@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 91691946 RCMPMDCOBDJAAE-RYUDHWBXSA-N 331.290 2.908 0 50 EFAA CSc1ccccc1-n1ccnc1-c1cn(C2CCNCC2)nn1 91574898 NNIKCXPECLQFPA-UHFFFAOYSA-N 340.456 2.777 0 50 EFAA Cc1noc(C)c1CC(=O)NC1CCN(c2ccccc2F)CC1 244690901 IZBWLABCTCWTPV-UHFFFAOYSA-N 331.391 2.758 0 50 EFAA CC[C@H]1C[C@@H](Cc2nc(CC(=O)Nc3ccccc3)no2)CCO1 241739088 QZVQEJKLAOIVKC-ZFWWWQNUSA-N 329.400 2.999 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 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CC1CCN(S(=O)(=O)N(C)Cc2cccc3cccnc23)CC1 670437989 USNPIPFZKYWTCO-UHFFFAOYSA-N 333.457 2.643 0 50 EFAA c1cncc(-c2nc3ccccc3c(=NC[C@H]3CC4(CC4)CN3)[nH]2)c1 1875282265 VOYZMWNDZHVJOI-OAHLLOKOSA-N 331.423 2.668 0 50 EFAA Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cnc3ccccn23)C1 1875289637 FYGOBVRXBZKLSL-OAHLLOKOSA-N 341.436 2.821 0 50 EFAA Fc1ccc2nc(C(F)F)[nH]c(=NC[C@H]3CC(F)(F)CO3)c2c1 1875288174 QDDCSABDYWXJFX-MRVPVSSYSA-N 333.260 2.965 0 50 EFAA CCOc1ccc(-c2cn(C3CN(C(=O)CC4CC4)C3)nn2)cc1F 1875353029 UWYBNGSOJRMIHE-UHFFFAOYSA-N 344.390 2.666 0 50 EFAA Cc1nccn1CC(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 885745008 PMDLWBHYZFEQOU-UHFFFAOYSA-N 326.375 2.787 0 50 EFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(Cl)c1F 886063002 DGEFPBPWVCVVDK-DZGCQCFKSA-N 337.782 2.781 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCC(N(C)C[C@H](C)O)CC2)c(C)c1 892461325 AIUVLIIUJAALHW-KRWDZBQOSA-N 347.503 2.598 0 50 EFAA Cc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1O 269607057 KNLCRCUEYGGWLW-UHFFFAOYSA-N 339.439 2.700 0 50 EFAA C[C@H](O)C[C@H](C)NCc1cc(I)cs1 1775989877 CDDADLIFAWDPQA-YUMQZZPRSA-N 325.215 2.602 0 50 EFAA O=C1Nc2ccc(Br)cc2C(c2ccccc2F)=N[C@H]1O 39401550 LAAYFWALJDHMAB-HNNXBMFYSA-N 349.159 2.696 0 50 EFAA in-vitro COCC1=CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 185642731 UZPPXWKOSHQIQN-VQIMIIECSA-N 343.471 2.638 0 50 EFAA CCCn1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2C)cn1 1404131541 CXPGWDQQEYQEHS-GJZGRUSLSA-N 342.443 2.538 0 50 EFAA CC(=O)N1CC[C@H](CNc2ncnc3sc4c(c23)CCCC4)C1 408516813 FXFCZVDPCXHFLX-GFCCVEGCSA-N 330.457 2.850 0 50 EFAA NC(=O)c1ccc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 170592210 GZFIXFODDLHIIY-HNNXBMFYSA-N 347.777 2.795 0 50 EFAA CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2C1 170621195 KGHLCRSWWGAARI-VQHVLOKHSA-N 336.391 2.907 0 50 EFAA Cn1cc([C@@H]2CSCCN2Cc2noc(-c3ccsc3)n2)cn1 170612058 BMQHLVSTOBPJER-ZDUSSCGKSA-N 347.469 2.822 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)N(C)Cc2cnn(C)c2)cc1 280667716 LSAANOITQAEBSR-DLBZAZTESA-N 328.416 2.516 0 50 EFAA CC(C)Cn1nccc1CN1CCC(NC(=O)c2ccccc2)CC1 648000651 XHCQTTNFUBYPDD-UHFFFAOYSA-N 340.471 2.934 0 50 EFAA O[C@H]1CCCC[C@@H]1n1nnnc1Cc1ccc(Br)cc1 193111789 HLFFLLSBRFFTGI-STQMWFEESA-N 337.221 2.502 0 50 EFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(=O)[C@H](C)C1 193925779 JRHOMLHNGUGZTE-LLVKDONJSA-N 331.803 2.885 0 50 EFAA COC(CSc1nc2cc(Br)c(C)nc2[nH]1)OC 194557592 BNWHHHSXRZMJQP-UHFFFAOYSA-N 332.223 2.740 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC([C@H]2CCCO2)CC1 195573829 SDAYCXURQANXOY-FZKQIMNGSA-N 348.491 2.569 0 50 EFAA C[C@H]1CC[C@H](NC(=O)Nc2cccc(C(C)(F)F)c2)CS1(=O)=O 666826838 CZNPWBSLHLTYEG-GWCFXTLKSA-N 346.399 2.886 0 50 EFAA C[C@@H]1c2ccc(F)cc2CCN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 675204673 QXYLYBSUMWEAHJ-IAQYHMDHSA-N 328.391 2.735 0 50 EFAA CCOC(=O)C1(Br)CCN(C(=O)OC(C)(C)C)CC1 309807989 VIJBQWVJYHBIHR-UHFFFAOYSA-N 336.226 2.714 0 50 EFAA Cc1cc(NCC2CCOCC2)n2nc(C)c(Br)c2n1 1875271926 RVMFTUGICPQWMC-UHFFFAOYSA-N 339.237 2.947 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCCN(C(=O)C3CC=CC3)CC2)s1 1772710097 OKNQCDOZHLSSJQ-UHFFFAOYSA-N 346.452 2.591 0 50 EFAA Cc1c(CNCc2cccnc2N2CCOCC2)[nH]c2ccccc12 11763293 ZIFWAZNFRICNGW-UHFFFAOYSA-N 336.439 2.998 0 50 EFAA O=C(NC[C@H]1CCCCO1)c1cc(Cn2ccc3ccccc32)[nH]n1 12314869 TXANQLIBEYSFKN-MRXNPFEDSA-N 338.411 2.712 0 50 EFAA CCN(c1ccc(C(=O)Nc2ccccc2OC)cc1)S(C)(=O)=O 13681274 VXYODAIVHHUEFJ-UHFFFAOYSA-N 348.424 2.733 0 50 EFAA Cc1ccc(C(=O)NCCc2nnc(SCC(C)C)n2C)s1 14987004 KQFQDDLSFSCJKN-UHFFFAOYSA-N 338.502 2.906 0 50 EFAA COc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)cc2c1OCO2 14955599 CPRZASAQWWNAGT-KRWDZBQOSA-N 341.407 2.867 0 50 EFAA COc1ccc2c(c1)C[C@@H](N1CCC(=O)N(CC(C)C)CC1)CC2 14962926 NZYCLHLKBKMQLX-SFHVURJKSA-N 330.472 2.743 0 50 EFAA Cc1ccc2ncnc(N3CCC[C@H](C(=O)c4ccccn4)C3)c2n1 1857667034 INTQRIUJEKJWIE-AWEZNQCLSA-N 333.395 2.828 0 50 EFAA CN1C[C@@H](Cn2ccnc2-c2nn(C)c3cccc(Cl)c23)CC1=O 1857667191 PIMXQPDQRMPEFC-NSHDSACASA-N 343.818 2.569 0 50 EFAA CNC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 237158687 BMNFXFDGUWXDJE-UHFFFAOYSA-N 333.432 2.697 0 50 EFAA CCOC(=O)c1sc2c(c1C)c(=O)nc1n2Cc2ccccc2-1 2873924 JYFSJWRCFFVCHH-UHFFFAOYSA-N 326.377 2.972 0 50 EFAA Cc1cc(C)nc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 126048791 PMERDUPDWYKTMH-OAHLLOKOSA-N 338.411 2.905 0 50 EFAA Cc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)ccc1NC(=O)CC(C)C 236628453 UEMBUXDAXQBYEM-IBGZPJMESA-N 346.427 2.916 0 50 EFAA Cc1nc([C@@H]2CCN(C(=O)c3cc(Br)cs3)C2)n[nH]1 333988767 ILGDPTGYDNJHSA-MRVPVSSYSA-N 341.234 2.567 0 50 EFAA CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CCc2[nH]ncc2C1 252504243 VISGXDXCCYSUQV-INIZCTEOSA-N 342.443 2.562 0 50 EFAA COc1ccccc1N1CCC(NC(=O)NCc2ccco2)CC1 146706787 XIHDRGCDHUNNBR-UHFFFAOYSA-N 329.400 2.756 0 50 EFAA O=C(O)COc1ccc(NC(=O)C2CCOCC2)c2ccccc12 262400156 APEBWNDQSFFPAP-UHFFFAOYSA-N 329.352 2.668 0 50 EFAA Nc1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)ccn1 1776000312 USRPOQVQSBTQHL-UHFFFAOYSA-N 325.412 2.733 0 50 EFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCC[C@@H](n2ccnn2)C1 823241203 RZTKYUXOSDMRAW-QGZVFWFLSA-N 335.411 2.674 0 50 EFAA O=C(Nc1cncc2c1CCCC2)[C@H]1CCN(Cc2ccccc2)C1=O 824691677 MNCWPOZRKWYUKS-GOSISDBHSA-N 349.434 2.948 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(OCC)c1 4380863 GBFMQHDABIEVIW-INIZCTEOSA-N 348.399 2.762 0 50 EFAA NC[C@H](C(=O)N1CCC[C@H]([C@]23CC[C@@H]2CCN3)C1)C1CCCCCC1 2325769065 DOERIMDPMKKUDI-JKBKZWBZSA-N 347.547 2.912 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 130559 FULRTILSYSYODL-MRXNPFEDSA-N 327.336 2.642 0 50 EFAA CCCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(C(F)(F)F)C1 274674 NXCLHBJMPKVSGI-CQSZACIVSA-N 330.306 2.948 0 50 EFAA COc1cc2nc(S)n(Cc3ccc(F)cc3)c(=O)c2cc1OC 425217 KHTVILAFGOHENU-UHFFFAOYSA-N 346.383 2.890 0 50 EFAA CCSc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 609289 QBAHCDVNTSZNJU-UHFFFAOYSA-N 336.438 2.698 0 50 EFAA COC[C@@]12COC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 2356135841 VREDILXMSIYTKO-YJBOKZPZSA-N 349.858 2.883 0 50 EFAA COCCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2s1 2356165161 WKDWYIZNYJVKQY-GJZGRUSLSA-N 330.453 2.837 0 50 EFAA COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccccc1F 4867963 DHDPBPBWOQGVAN-UHFFFAOYSA-N 336.750 2.743 0 50 EFAA CC(C)(C)c1csc(C2CCN(C(=O)CCn3cncn3)CC2)n1 114180576 UZGMJSSKTDETFO-UHFFFAOYSA-N 347.488 2.828 0 50 EFAA O=C(NCCCN1CCCCCC1=O)c1ccc2nc(S)oc2c1 118754271 XAUNVNHHRYSNFF-UHFFFAOYSA-N 347.440 2.639 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@H]1CCCN1 67678410 MKXQDOCEJNQPKP-CQSZACIVSA-N 333.338 2.520 0 50 EFAA C[C@H](Cc1ccc(F)cc1Cl)NCC1(S(C)(=O)=O)CCC1 421863079 YAYOGHPJFOOHJP-LLVKDONJSA-N 333.856 2.967 0 50 EFAA CCn1c(CN2CCN(c3ccccc3Cl)CC2)n[nH]c1=S 23633881 SKGBNKSQTBXPBT-UHFFFAOYSA-N 337.880 2.936 0 50 EFAA COc1cc(CNCC(=O)Nc2cccc(F)c2C)cc(OC)c1 65460426 VNWWDTMVDBZJOX-UHFFFAOYSA-N 332.375 2.880 0 50 EFAA Cc1ccc(N2CCCN(C[C@H](O)c3cccc(Cl)c3)CC2)nn1 172841104 UUBOMLXYRVQIGG-KRWDZBQOSA-N 346.862 2.684 0 50 EFAA NC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 71375838 CHSLBWVTBRXYGV-UHFFFAOYSA-N 326.377 2.740 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCCN2[C@H]1c1cccc(OC)c1 4342656 RLIXBGPJCVIAOA-HNNXBMFYSA-N 332.425 2.992 0 50 EFAA Cc1ccsc1C(=O)Nc1cc(-c2cccnc2)nn1CCO 328587718 GCYZVUJEAMNDDW-UHFFFAOYSA-N 328.397 2.560 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)n2ccc3ccccc3c2=O)cc1C(N)=O 253420664 KQBBXFSHACLRHX-CYBMUJFWSA-N 349.390 2.609 0 50 EFAA Cc1cc(-n2cccn2)ccc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2 72462553 FPCFCTBZYHFZGY-IBGZPJMESA-N 340.427 2.597 0 50 EFAA COc1ccccc1N1CCC[C@H](N[C@H]2C[C@H](C)O[C@H](C)C2)C1=O 241644371 PQFNHZCJDJMALM-FZKCQIBNSA-N 332.444 2.736 0 50 EFAA COc1ccccc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 174357229 UIPGFCORLYPNHK-UHFFFAOYSA-N 339.370 2.993 0 50 EFAA O=c1c2ccsc2ccn1C[C@H](O)COCc1ccccc1F 242339367 ZHGMYNJHAKIMIO-ZDUSSCGKSA-N 333.384 2.780 0 50 EFAA CO[C@@H]1COCC[C@H]1NC(=O)Cc1coc2c(C)c(C)cc(C)c12 219896281 ZGEIQEYCCFHVKW-HZPDHXFCSA-N 331.412 2.821 0 50 EFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@@H](c1ccccc1)C1CCCC1 238094021 ZFXWAHQSSKQJRB-AEFFLSMTSA-N 330.428 2.583 0 50 EFAA C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 35080286 HGOOISFRTZCVFQ-DJIMGWMZSA-N 334.460 2.955 0 50 EFAA CCN1C[C@@]2(CCCN(C(=O)c3ccc(C)cc3O)C2)CCC1=O 72428767 LDZJKDHCNITKED-LJQANCHMSA-N 330.428 2.565 0 50 EFAA C[C@@H]1C[C@@H](CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C 496470006 AAFVQTOPNFNEFD-CABCVRRESA-N 336.480 2.888 0 50 EFAA C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H]1CCN(CC2CCCC2)C1 239352400 ABZYNZIYMPVTGY-PVAVHDDUSA-N 349.475 2.655 0 50 EFAA O=C(CCN1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1 82087401 CMSUPCFRWRIFHS-UHFFFAOYSA-N 333.451 2.740 0 50 EFAA Cc1ccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)o1 223668333 NIVADVOXACJAAX-SFHVURJKSA-N 340.423 2.942 0 50 EFAA CC1(C)CN(C(=O)c2ccnc3ccncc23)C[C@H](C(F)(F)F)O1 293881450 YZWHKMRTORNKDG-CYBMUJFWSA-N 339.317 2.812 0 50 EFAA CCn1nc(CNC(=O)[C@@H]2CCCN(C(C)C)C2)c2ccccc21 95508842 NWKDFVVMOISNHD-OAHLLOKOSA-N 328.460 2.793 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@@H]1COc2c(cccc2OC)C1 91757216 QZFWLXNCYDEPSI-INIZCTEOSA-N 326.396 2.690 0 50 EFAA CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 92002013 KVSYXLNMZLPHHM-OAHLLOKOSA-N 333.457 2.825 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCCNc3ncccc3C)n[nH]2)s1 91713501 HZWPBAPPACNQSC-UHFFFAOYSA-N 341.440 2.992 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCOc2ccccc2C1 95524468 VOHQMMUUSLIXRX-INIZCTEOSA-N 340.423 2.965 0 50 EFAA Cc1c([C@@H](C)NC(=O)c2cc(C(C)C)n[nH]2)cnn1-c1ccccn1 91486791 QROKAWMSDHCTHD-GFCCVEGCSA-N 338.415 2.913 0 50 EFAA Cc1nc(CC2CCN(C(=O)COc3cccc(Cl)c3)CC2)no1 244866388 VVJNWMIVBXNGDV-UHFFFAOYSA-N 349.818 2.892 0 50 EFAA CO[C@H](C)C(=O)Nc1cc(Cl)ccc1I 297941859 ZXWSPHBQDKHLGC-ZCFIWIBFSA-N 339.560 2.918 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CCC2)[C@H]1CC12CCC2 247726689 DVINIPICESTBEM-SYMSYNOKSA-N 330.472 2.910 0 50 EFAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)C[C@@H]1CCCC[C@H]1O 183405908 SHZGUQXTIVVTGS-QWHCGFSZSA-N 346.456 2.532 0 50 EFAA COC(=O)[C@]12[C@H]3C[C@H]4[C@@H]5[C@@H]3CC[C@@H]5[C@]1(O)[C@@H]4[C@H]1C[C@H]2[C@H]2CCC[C@H]21 247820094 HPYCVFNRVRVSLX-GRYJBRQSSA-N 328.452 2.865 0 50 EFAA O=C(NCc1ccco1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244873389 WPPBTNWXHFGNDL-DAYGRLMNSA-N 342.395 2.526 0 50 EFAA O=C(c1ccccc1Cl)N1CCC(N[C@H]2CCCC[C@H]2O)CC1 268882763 LYPMLMLPSGFJGG-DLBZAZTESA-N 336.863 2.838 0 50 EFAA CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 534592710 WUGCKDJIASUGIM-QGZVFWFLSA-N 331.460 2.684 0 50 EFAA Cc1c[nH]c(CN(C)C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)n1 299780797 BHVMURTUVHVBBA-CYBMUJFWSA-N 341.415 2.897 0 50 EFAA CCn1nc(CNC(=O)c2snnc2C(C)C)c2ccccc21 299774790 IHYDLXBERYKYSJ-UHFFFAOYSA-N 329.429 2.961 0 50 EFAA CCc1ccc(CN(C=O)CCc2ccc(NC(C)=O)cc2)nc1 1875325223 JREFJBUSDLUKRH-UHFFFAOYSA-N 325.412 2.804 0 50 EFAA C[C@@H]1CC[C@H](C(=O)NC2C[C@H]3CN(c4ncncc4Cl)C[C@@H]3C2)C1 1875338902 PUNZWLWUABLLDX-RFGFWPKPSA-N 348.878 2.897 0 50 EFAA COc1ccc([C@H]2CCCN(C(=O)c3cncc(C(=O)O)c3)C2)cc1 1875277705 ZRHMUSACYNLSOO-AWEZNQCLSA-N 340.379 2.808 0 50 EFAA Cc1noc(C[C@]2(O)CCCN(Cc3cccc4ccoc34)C2)n1 886091711 MUEGYPLDZJGWIL-GOSISDBHSA-N 327.384 2.694 0 50 EFAA CC(C)(C)C(=O)Nc1cnccc1[C@H](NCCCO)C(F)(F)F 888093458 SGGGVPOILWWGDR-LBPRGKRZSA-N 333.354 2.642 0 50 EFAA CCC[C@@]1(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)CCOC1 1771699146 ACBHWRLOFNUWAN-LJQANCHMSA-N 340.427 2.834 0 50 EFAA Fc1cc(F)cc(OCc2nc([C@H]3CCC4(C3)OCCO4)no2)c1 1776006147 NDCNGHKKOAEOSC-JTQLQIEISA-N 338.310 2.937 0 50 EFAA Cn1ncc(Cl)c1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 1362506301 ODTGPFJMUMTEPB-NSHDSACASA-N 347.724 2.556 0 50 EFAA CC(=O)N[C@H]1CN(Cc2nc3ccc(C)c(C)c3[nH]2)C[C@@H]1C(C)C 1565527837 UFAABRHZHPXNEF-WBVHZDCISA-N 328.460 2.772 0 50 EFAA CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[nH]3)cc2)CCO1 272703239 GTEGTKTZBGTVDI-WFASDCNBSA-N 329.404 2.647 0 50 EFAA CC(C)n1c(CNC(=O)[C@H]2CCn3cncc3C2)nc2ccccc21 676707789 JROJMDFCZUBSPW-AWEZNQCLSA-N 337.427 2.693 0 50 EFAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC1CC(c2ccccc2)C1 275856545 XFLKCFANWCSNSN-JEVOJNTISA-N 342.462 2.868 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 170599367 QUZIRULJADXHHD-LBPRGKRZSA-N 335.404 2.965 0 50 EFAA O=C(NCc1cc(F)c(Cl)cc1F)N1[C@H]2CC[C@H]1CC(O)C2 279797509 WGVROXMSCQXIIA-UWVGGRQHSA-N 330.762 2.816 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)NCc2ccccc2-n2ccnc2)CCO1 280049426 KJTGGLZAJWCBJK-QGZVFWFLSA-N 342.443 2.829 0 50 EFAA 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O=C(O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc2ccccc2o1 775287533 BTVWDHGGFZMDRT-CQSZACIVSA-N 343.360 2.637 0 50 EFAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cc(CC(C)C)nc(O)n1 1506431736 XDTCZLZEIUJVDH-INIZCTEOSA-N 328.416 2.999 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)c2c(C)cc(=O)oc2C)C[C@@H]1O 210333586 PHKDEKYMTQCHGW-KBPBESRZSA-N 347.436 2.617 0 50 EFAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncnc2[nH]cnc12 1775977201 SBCUZTJBOWKFLS-HTRCEHHLSA-N 326.187 2.883 0 50 EFAA O=C(COc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1 13324288 RLLKKJGCWCBRGQ-UHFFFAOYSA-N 338.398 2.821 0 50 EFAA Cn1cc(CN2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)cn1 15075327 CCQPWTDODWTUMT-MRXNPFEDSA-N 339.361 2.882 0 50 EFAA O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1Cl 15952210 UWSGRGINLZPSKL-UHFFFAOYSA-N 335.816 2.643 0 50 EFAA COc1ccc2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2c1 18222660 QVRQJJHIMBSHAR-UHFFFAOYSA-N 325.372 2.897 0 50 EFAA Cc1cc(C)c(NC(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c(C)c1 1857719628 QEVGFWZWICPCIP-QZTJIDSGSA-N 343.471 2.939 0 50 EFAA COc1c(C(=O)O)cc(-c2ccnc3c2ccn3C)c(OC)c1OC 1875249347 WMLJQBSIUOHVAM-UHFFFAOYSA-N 342.351 2.964 0 50 EFAA Cc1ccc(-n2nnnc2N2CCO[C@](C)(c3ccccc3)C2)cc1 301652804 QVZGZNMJEHAAOT-IBGZPJMESA-N 335.411 2.723 0 50 EFAA COc1ncc(Cl)c(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 225518513 YBNLJSFSIYCNMA-TVQRCGJNSA-N 341.745 2.729 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)COc3ccc(F)cc3Cl)C2)n1 331638430 WYXKPPHBHHOYFN-SNVBAGLBSA-N 339.754 2.565 0 50 EFAA Cc1ccc(-c2nnn(CC(=O)N[C@@H]3C[C@@H]3c3ccccc3C)n2)cc1 126666378 WZOSXHVMOKYUPJ-QZTJIDSGSA-N 347.422 2.629 0 50 EFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(C3CCCCC3)C2)nn1 14983397 WXXLATGHDCGFBC-INIZCTEOSA-N 333.480 2.730 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348238384 DVBKMKJGKUAIKA-ZBEGNZNMSA-N 343.333 2.789 0 50 EFAA CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(OCC2CC2)CC1 363572389 DPODQHASLNTYSS-KRWDZBQOSA-N 336.476 2.585 0 50 EFAA COC1(CN[C@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 153404576 AVUMANKLFQXGOR-LSDHHAIUSA-N 342.439 2.753 0 50 EFAA O=C(N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)C1(O)CCCC1 370142227 LAIRNIYHIINILO-GFCCVEGCSA-N 332.375 2.978 0 50 EFAA CC(C)[C@]1(C(=O)N2CC3CC2(C)C3)C[C@H]1C(=O)N1CC2CC1(C)C2 826783168 JTABCCLGFHKXPC-ZPDQRJGUSA-N 330.472 2.671 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c2ncccc12 829557523 KCWQZNKAWXEFMJ-CRAIPNDOSA-N 339.439 2.966 0 50 EFAA COc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@H](C)N)C1 127381550 JFGAPSUJCKSBPD-QWRGUYRKSA-N 341.249 2.657 0 50 EFAA Cn1ncc2ccc(-c3ccc(NC(=O)[C@H]4CCCNC4)nc3)cc21 2325758940 SDNHJOBECBTMST-INIZCTEOSA-N 335.411 2.573 0 50 EFAA O=C(c1coc(-c2ccc(F)cc2)n1)N(C1CCNCC1)C1CC1 2325774624 DLKVLAYXVUBSSZ-UHFFFAOYSA-N 329.375 2.837 0 50 EFAA O=C(O)c1cn([C@H]2CCCN(Cc3ccc(F)cc3C3CC3)C2)nn1 2325789340 KTJWDMVEFONCEO-HNNXBMFYSA-N 344.390 2.830 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn21 891940910 UAWKJFBNSMGUIS-IUODEOHRSA-N 347.850 2.713 0 50 EFAA C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 248734797 DMNTUVFWWWRKHI-PJLNZIFKSA-N 340.471 2.514 0 50 EFAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 134987 PMAYHEMUIHEPJV-IBGZPJMESA-N 325.364 2.522 0 50 EFAA CC(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 284388 BPIHFUAWAAISIS-UHFFFAOYSA-N 346.452 2.791 0 50 EFAA Cc1ccc(C2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)C2)cc1 304887 QKVIHQDACBEQQU-INIZCTEOSA-N 349.312 2.891 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SC)cc2OC)C1 456959 SRTQKLISBSBJNV-GFCCVEGCSA-N 337.441 2.832 0 50 EFAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1 528667 LNLUAOLCFPGIEA-UHFFFAOYSA-N 327.446 2.538 0 50 EFAA Cn1nc(-c2ccccn2)cc1NC(=O)Cc1noc2ccccc12 2356139867 KKLBCGBLUMYMAB-UHFFFAOYSA-N 333.351 2.805 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(c3noc(C4CCC4)n3)C1)CC2 2356158295 HFEHLUNOSJXVDG-GOSISDBHSA-N 325.416 2.920 0 50 EFAA COC(=O)c1cccc(CN2CCN(c3ccccc3C)C[C@@H]2C)n1 106729924 GZBSQNUEYPISKT-INIZCTEOSA-N 339.439 2.887 0 50 EFAA CC(C)c1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)[nH]n1 55393096 PQLATEWIBCSHGB-OAHLLOKOSA-N 328.416 2.750 0 50 EFAA COCCc1cc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n(C)n1 119161989 UARLYJPUPDAVSD-DYVFJYSZSA-N 328.416 2.834 0 50 EFAA Clc1ccc(OCCOCCN2CCNCC2)c2ccccc12 20118084 HKKWZPWKCWYOHP-UHFFFAOYSA-N 334.847 2.794 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 20909647 QQGMBWDUHNHIGY-AWEZNQCLSA-N 336.395 2.637 0 50 EFAA CC(=O)NCC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCO1 67560625 XLHUMYNHBSUHNG-OAHLLOKOSA-N 331.243 2.720 0 50 EFAA Cc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1ccccc1F 120067651 SIWRBVHAKFKXEG-UHFFFAOYSA-N 336.330 2.843 0 50 EFAA Cc1c(C(=O)Nc2cccc(F)c2)cccc1N(C)S(C)(=O)=O 65361964 PHKMOIVEVYCQPW-UHFFFAOYSA-N 336.388 2.782 0 50 EFAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCC[C@@H](n2cncn2)C1 229755938 SJYYRQSCQKIMGC-MRVWCRGKSA-N 332.354 2.524 0 50 EFAA c1ccc(CN2CCO[C@H]3CN(c4nc(C5CC5)ns4)C[C@H]32)cc1 230090371 DKRWZPPQICKGDA-CVEARBPZSA-N 342.468 2.505 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1CC1CCCCC1 20205263 AYUUIBNPGCJDQS-LJQANCHMSA-N 332.488 2.841 0 50 EFAA CN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1nccn1C 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MXLQOGUWYMZIQA-YUDUXTHKSA-N 343.475 2.799 0 50 EFAA Cc1csc(-c2nccn2-c2cccc(N3CCNC3=O)c2)n1 71749068 FWRINQAIULQHRT-UHFFFAOYSA-N 325.397 2.834 0 50 EFAA O=C(NCCc1ccc2c[nH]nc2c1)c1cc(-c2ccncc2)on1 342525234 XJZKYMGCVRHEAK-UHFFFAOYSA-N 333.351 2.585 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CNCC1CC1 253432541 LCLBZHXAYRDXNK-CQSZACIVSA-N 343.471 2.805 0 50 EFAA CSc1nc(C)c(CCC(=O)Nc2nc3ccccc3[nH]2)c(O)n1 253630201 IIJTYONWCQYYTD-UHFFFAOYSA-N 343.412 2.660 0 50 EFAA CC[C@H]1CN(C(=O)C(=O)CC(C)C)CCC(=O)N1Cc1ccccc1 71762246 CJNZUQMYITWRIX-KRWDZBQOSA-N 344.455 2.641 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1cc(-c2ccncc2)ccc1OC 343871190 LFVPTIFHIRRGPR-RBUKOAKNSA-N 342.439 2.993 0 50 EFAA CCc1ccc([C@H](COC)NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1 247046781 VUVMODSGRGXDED-OCVGTWLNSA-N 336.432 2.642 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1cccs1 72468954 CQQDUJNKCFRRKK-QGZVFWFLSA-N 349.544 2.603 0 50 EFAA COc1ccccc1/C=C/C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 363938233 KCEUDSOOPHJTMS-ZJVMWOEPSA-N 348.402 2.831 0 50 EFAA CN1C[C@H](CNCc2c[nH]nc2-c2cccnc2)Cc2ccccc21 363988633 XWXHEVQAAOPKLH-HNNXBMFYSA-N 333.439 2.870 0 50 EFAA CN(c1ncnc2ccsc12)C1CCN(c2cnccn2)CC1 376047790 OOISBDQDFSHORY-UHFFFAOYSA-N 326.429 2.587 0 50 EFAA COC[C@@]1(C(=O)O)CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 262887292 LEXORGDZDARMMP-MKJPBZQASA-N 345.439 2.910 0 50 EFAA CC(C)c1cc(C(=O)N2CCC(C(=O)O)(n3ccnc3)CC2)cs1 72438889 CGCNROCRENSWLW-UHFFFAOYSA-N 347.440 2.784 0 50 EFAA CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)c1cnn(C)c1 177800362 NCHIAIJTIWLAKC-UHFFFAOYSA-N 341.396 2.615 0 50 EFAA O=C(CCc1ccccc1F)N1CCCN(Cc2ccccn2)CC1 221221266 YGJQGLPKJFSWSG-UHFFFAOYSA-N 341.430 2.888 0 50 EFAA O=C(Nc1ccc(-n2nn[nH]c2=O)cc1)c1ccc(C2CCCC2)cc1 290833467 XBKAGUOITCZGKQ-UHFFFAOYSA-N 349.394 2.866 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](CN)C1 178545269 URSYTJJIWJVNSD-OLZOCXBDSA-N 339.277 2.825 0 50 EFAA CCOC1(C)CCN(C(=O)N[C@H]2COc3ccc(F)cc3C2)CC1 292091376 SLZUGPPBHDTBDQ-OAHLLOKOSA-N 336.407 2.730 0 50 EFAA Cn1ccnc1-c1cccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 426613637 NGUGGRXYTYIOJP-MRXNPFEDSA-N 349.438 2.836 0 50 EFAA CCCCCCNC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 426379648 HDRZIVWBEWZKJL-UHFFFAOYSA-N 335.423 2.760 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2nc1C 95384570 VHWSYITWTKNFRU-INIZCTEOSA-N 349.438 2.996 0 50 EFAA Cn1cc(CCN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 91877228 VMQRIXCPTINBKC-UHFFFAOYSA-N 344.503 2.610 0 50 EFAA CC(C)c1cc(C(N)=O)c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)s1 239358356 NCFGLCFGLPDRKF-RBJBARPLSA-N 332.425 2.506 0 50 EFAA CCN1CC2(CCC1=O)CCN(CCOc1ccccc1OC)CC2 92020489 NQCIMJODJVUNMR-UHFFFAOYSA-N 346.471 2.799 0 50 EFAA Cc1ccc([C@H](CCO)NC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)cc1 97675273 DNLHLBXOBWWJHS-AWEZNQCLSA-N 348.830 2.807 0 50 EFAA COCCN(Cc1cc(-c2ccncc2)no1)Cc1nccs1 244884383 YLLDUMSKZBNZMC-UHFFFAOYSA-N 330.413 2.842 0 50 EFAA CCC1=NO[C@@H](C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 243932721 BYOKAWWQVJFMBL-CYBMUJFWSA-N 348.790 2.604 0 50 EFAA Cc1c(C(=O)N[C@@H]2COC3(CCCCC3)C2)sc2ncnc(O)c12 253536698 LGGCKCPOLVBDGG-NSHDSACASA-N 347.440 2.927 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)NCc1nc(C2CC2)no1 534664733 LOFDMVQEZLZUGH-UHFFFAOYSA-N 325.290 2.825 0 50 EFAA CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cn(C)nc2C)cc1 534639348 LBOFAMLPHPJGIW-KRWDZBQOSA-N 326.444 2.610 0 50 EFAA CN(CCSc1ccccc1)C(=O)NC[C@H]1CCN(C2CC2)C1 534586976 GDPIIUXVAXDZKP-OAHLLOKOSA-N 333.501 2.904 0 50 EFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)N2CC(c3nccs3)C2)C1(C)C 299777506 NNPZSPFXYHMDHK-ACJLOTCBSA-N 349.500 2.648 0 50 EFAA COc1ccc(CCNc2cc([C@@H]3CCOC3)ncn2)c(OC)c1 299781354 LGEPOBLVFHVZJU-CQSZACIVSA-N 329.400 2.652 0 50 EFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)Nc1cccnc1Cl 299784070 WLIDATHXEZNDHF-ZDUSSCGKSA-N 334.807 2.935 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@@H]1c1n[nH]c(-c2cccc3c2ccn3C)n1 823830727 XRMVPIATQUPCJI-LSDHHAIUSA-N 337.427 2.983 0 50 EFAA Cc1cc2c(cc1CN1CCCN(C(=O)C3CCC3)CC1)OCO2 827715319 NGUAWGQMRAFAOX-UHFFFAOYSA-N 330.428 2.558 0 50 EFAA CCc1nc(C)sc1CNC(=O)N1CC[C@@H](O)CC(C)(C)C1 584903269 TWCVXDWPRRHWIJ-GFCCVEGCSA-N 325.478 2.706 0 50 EFAA Cc1csc(CNC(=O)c2cnc(-c3cccnc3)nc2C)n1 670451990 IVOUFVLPVIUGCY-UHFFFAOYSA-N 325.397 2.542 0 50 EFAA COc1ccc(CN(C)Cc2nc(CC(C)C)no2)cc1C(=O)O 670460724 OHMAVABSKOQQLE-UHFFFAOYSA-N 333.388 2.607 0 50 EFAA CS(=O)(=O)CCC(=O)N1CCCCC[C@@H]1c1cccc(F)c1 952868600 CUXQMWUQZRWWJE-OAHLLOKOSA-N 327.421 2.704 0 50 EFAA C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ncn(Cc2cccc(F)c2)n1 894334073 ZIAKZOZFDGQACZ-CZUORRHYSA-N 343.406 2.619 0 50 EFAA O=C(N[C@H]1COC[C@@H]1C1CC1)c1cccc(CN2CCCCC2)c1 891043999 XYQDIQGWTYTMRY-MOPGFXCFSA-N 328.456 2.827 0 50 EFAA O=S(=O)(CCC1CC1)Nc1c(O)ccc(Br)c1F 1775989766 APLBLVVRVKGIPZ-UHFFFAOYSA-N 338.198 2.836 0 50 EFAA O=S(=O)(c1cccs1)N1CCC(C2(C(F)(F)F)N=N2)CC1 1775993810 WEDRQARGADRWAZ-UHFFFAOYSA-N 339.364 2.873 0 50 EFAA O=C(Cc1ccc(OCC(F)(F)F)cc1)N1CCOCC12CCC2 170073858 ZCUJYUOQFXEFKW-UHFFFAOYSA-N 343.345 2.952 0 50 EFAA NC(=O)[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1 171119907 PRMCJPYDSFIMCS-SFHVURJKSA-N 341.386 2.981 0 50 EFAA C[C@H](OCc1ccccc1)C(=O)N1C[C@@H](C(=O)O)c2ccccc21 281284173 DUCRRYROWPKHSN-XJKSGUPXSA-N 325.364 2.807 0 50 EFAA Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@@H]1CCCC[C@H]1O 281352073 OIJASSVYPPOHBA-RHSMWYFYSA-N 328.416 2.821 0 50 EFAA C[C@@H]1CN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c2cccnc2O1 682796539 DKCHSJSVFFNDSZ-XTAFZBPGSA-N 342.317 2.551 0 50 EFAA Cc1csc([C@H]2CCCN2C(=O)c2ccc3nnc(C)n3c2)n1 634246080 UYMSQQUQKKNMAH-CYBMUJFWSA-N 327.413 2.780 0 50 EFAA Cc1nn(Cc2cccc3c2CCOC3)c(C)c1[C@@H]1CCCC(=O)N1 634550541 FCXNPMJCJRQQEX-SFHVURJKSA-N 339.439 2.962 0 50 EFAA COc1cc(CN2CCCN(c3cccnn3)CC2)ccc1SC 109328644 WDWQQSPMZVUDQS-UHFFFAOYSA-N 344.484 2.919 0 50 EFAA C[C@H]1C[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)CS1 412616361 YBKLOTOFEAUVSE-RYUDHWBXSA-N 339.482 2.950 0 50 EFAA CCN(CC)Cc1cccc(CNC(=O)[C@@H](O)Cc2ccccc2)c1 225416510 OALACQSVORQUKE-FQEVSTJZSA-N 340.467 2.748 0 50 EFAA Nc1nnc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)o1 636128696 PLFJOOAWHBPILA-UHFFFAOYSA-N 340.305 2.690 0 50 EFAA CCOCc1cc(CN2CCCN(C(=O)C3CC3)CC2)ccc1OC 188701818 LTBDQNBWHLASQH-UHFFFAOYSA-N 346.471 2.676 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCn2ccc3ccccc32)C1 644117737 MVXZASGPWLHHJC-WBVHZDCISA-N 338.411 2.743 0 50 EFAA Cc1nc(-c2ccc(NS(=O)(=O)c3cnn(C)c3C)cc2)oc1C 644615193 SRMGBLPZKULCGM-UHFFFAOYSA-N 346.412 2.801 0 50 EFAA Cc1noc2ncnc(N(CCN(C)C)Cc3ccc(F)cc3F)c12 192488772 WPZRQGRTWOVWJW-UHFFFAOYSA-N 347.369 2.773 0 50 EFAA C[C@@]1(C(=O)N2CCN(Cc3cccnc3)CC2)CCc2ccccc21 648725462 MVPUVNGSZLBLRD-OAQYLSRUSA-N 335.451 2.630 0 50 EFAA O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1ccc2c(c1)CCO2 194786026 BWVZGKCRGARWOV-UHFFFAOYSA-N 349.412 2.853 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@@H]2CCCC[C@H]12 659195436 PWNGSAYXCIFLJF-PBFPGSCMSA-N 341.411 2.597 0 50 EFAA CO[C@@](C)(C(=O)O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 663030793 XTYKMSHRNYVRBE-YLJYHZDGSA-N 339.391 2.650 0 50 EFAA CCCn1nccc1C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 667780265 FSTVVRVBUJZGDP-OAHLLOKOSA-N 342.443 2.558 0 50 EFAA COC[C@H](c1ccccn1)N(C)Cc1ccc(OC)c(C(=O)O)c1 1506421358 FNVCYNCIWGHXIM-MRXNPFEDSA-N 330.384 2.608 0 50 EFAA C[C@@H]1CN(C2CC2)CCN1C(=O)CCc1nc2ccccc2s1 1363118231 POJIFCPHGHXISR-CYBMUJFWSA-N 329.469 2.924 0 50 EFAA CC(=O)NCCCC(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529191854 GQPYUVSNZYFERO-ZWKOTPCHSA-N 346.471 2.918 0 50 EFAA Cc1nc(-c2c3c(nc4onc(C)c24)CCC3)n([C@@H]2CCOC2)n1 1772808987 HYQAZACNQVJJSB-LLVKDONJSA-N 325.372 2.548 0 50 EFAA N[C@H](Cc1ccccc1)c1nnc(NCCN2CCCCCC2)o1 1772703944 LFXFUWKDUSWNJQ-MRXNPFEDSA-N 329.448 2.600 0 50 EFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)c1nnc(CCCCN)o1 1772702647 IBUYRXNLWVQJJE-UHFFFAOYSA-N 334.811 2.517 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1Cl 11866020 GVWIAJVIYDFXHD-NSHDSACASA-N 336.819 2.760 0 50 EFAA CC(C)[C@H](O)C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1 12429972 MWPPDCKDBFIKOZ-KRWDZBQOSA-N 330.407 2.911 0 50 EFAA O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(F)c(F)c1F 18049573 QNEVLAJPXRPGGF-UHFFFAOYSA-N 326.249 2.612 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218981972 ROMXZOPOWQVTDR-JXXFODFXSA-N 335.407 2.665 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)[C@@]2(C)CC23CCNCC3)cc1 1857682928 RLJPMXMQGXNLSZ-LJQANCHMSA-N 338.455 2.577 0 50 EFAA COc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C 225578467 IXEWCHAHPDHMER-CQSZACIVSA-N 348.468 2.844 0 50 EFAA OC1(CCSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1 442912873 LPRXEYLNSKEZPM-UHFFFAOYSA-N 344.484 2.870 0 50 EFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)C2(C(=O)O)CC=CC2)C1 663070031 KSHASGKZAKMBFS-HZPDHXFCSA-N 334.460 2.520 0 50 EFAA Cc1ccc2c(CN3[C@H](C(N)=O)C[C@H]4CCCC[C@H]43)cc(=O)oc2c1 252497891 GZMWHDBMUXDEFA-XYPHTWIQSA-N 340.423 2.720 0 50 EFAA Cn1cc(C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)cn1 253394532 HPDYFWMEXJYRGL-UHFFFAOYSA-N 338.333 2.854 0 50 EFAA CCn1ccnc1[C@H](C)NC(=O)c1nc(-c2ccccc2)ns1 902943607 TWZFXTQFLPYYTC-NSHDSACASA-N 327.413 2.913 0 50 EFAA CC(C)n1nccc1CN[C@H]1C[C@]2(CCNC2)Oc2ccccc21 904472608 NDAHXDJGHOHBQE-HKUYNNGSSA-N 326.444 2.810 0 50 EFAA CN(Cc1cnns1)[C@H](C(=O)O)c1cccc(Br)c1 905376593 MYORQUCOKDSZSD-NSHDSACASA-N 342.218 2.558 0 50 EFAA CCC[C@]1(C(=O)O)CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1O 1704312413 RPUNHRVNBSFSMC-RISCZKNCSA-N 332.322 2.543 0 50 EFAA O=C(c1cccc(-n2ccnc2O)c1)N1CCC[C@H]1C(F)(F)F 913018463 LLHXJWLSJPXOCV-LBPRGKRZSA-N 325.290 2.745 0 50 EFAA CNC(=O)c1n[nH]c(C2CCN([C@@H](C)c3ccccc3Cl)CC2)n1 818243928 ZHPWOUOICCLQLF-NSHDSACASA-N 347.850 2.758 0 50 EFAA CON(C)C(=O)c1csc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 115723040 PZAOLVHWUGBISR-NSHDSACASA-N 341.433 2.849 0 50 EFAA COc1cncc(CCCOC(=O)c2cnc3cc(C)ccn23)c1 2325741802 HQYBENZRFGGLJQ-UHFFFAOYSA-N 325.368 2.836 0 50 EFAA Cn1ccnc1Sc1ccc(NC(=O)[C@]23CCNCC[C@@H]2C3)cc1 2325774852 ZCBHRIOHXBYDQZ-ACJLOTCBSA-N 342.468 2.900 0 50 EFAA O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1ccnc(O)c1 2325838999 FWCUYAUVDYFDLP-UHFFFAOYSA-N 336.351 2.502 0 50 EFAA COc1cc(CN(C)C2=NC[C@H](c3ccccc3)N2)cc(OC)c1 2325864306 LXCHHAKHSWKMIJ-GOSISDBHSA-N 325.412 2.836 0 50 EFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 22918642 MVEKIRCCMIYCDJ-GOSISDBHSA-N 349.450 2.564 0 50 EFAA COc1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 224792 MATDZWYUXZZQGE-UHFFFAOYSA-N 333.409 2.806 0 50 EFAA CCOc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C 410392 ZBVPUBOINGXECD-UHFFFAOYSA-N 332.429 2.822 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4cc[nH]c4n3)C1)CC2 2356139697 HWAVLFJGIIWKPZ-FQEVSTJZSA-N 347.422 2.782 0 50 EFAA CCC[C@@]1(CO)CN(Cc2ccc3cc(O)ccc3c2)CC[C@H]1O 2356147712 LFPJNDKICWRVIS-UXHICEINSA-N 329.440 2.891 0 50 EFAA O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1)[C@@H]1CCCO1 2772720 NQTBZIPRGRLTCL-UONOGXRCSA-N 338.791 2.575 0 50 EFAA CCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 6706449 LBHRWFVNHRGJJL-UHFFFAOYSA-N 348.424 2.869 0 50 EFAA Cc1nc2c(NC[C@@]3(c4ccc(F)cc4)CCOC3)ncnc2o1 55119591 GYNVVYOERJJUBE-KRWDZBQOSA-N 328.347 2.836 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)c(F)c1 23374760 GFNDLQUQTWTREO-INIZCTEOSA-N 338.467 2.749 0 50 EFAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H](c2ccn[nH]2)C1 67821260 UUQRJFZFWAKZQT-LLVKDONJSA-N 327.413 2.881 0 50 EFAA CSc1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 20773995 ZWWWZBQYYFRTGK-INIZCTEOSA-N 344.484 2.910 0 50 EFAA CCN(C)c1cc(N2Cc3cnc(-c4ccccc4)nc3C2)ncn1 67842101 ZMHKZAXZPHDKCO-UHFFFAOYSA-N 332.411 2.910 0 50 EFAA CC(C)c1ccc(-n2cc(C3=CCN([C@@H](C)C(N)=O)CC3)cn2)cc1 65380900 LHTJLEWZUNAZKX-HNNXBMFYSA-N 338.455 2.959 0 50 EFAA C[C@H]1CC(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]c2C1 67630984 XBTHEZZDVFZQCG-MRVPVSSYSA-N 332.306 2.670 0 50 EFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)s1 252511713 JZKXSRJWDSUHRP-HONMWMINSA-N 341.498 2.584 0 50 EFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(CCOc2ccccc2)c1=O 328651044 VUIQBORRVWJDFI-ZBFHGGJFSA-N 331.416 2.802 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1n[nH]c2c1CCC2 328632740 SCFZWKHHYGYMMI-NSHDSACASA-N 330.457 2.855 0 50 EFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2csc(C3CCCC3)n2)C1 328959089 PVPXQKKCFJMENL-KGLIPLIRSA-N 333.461 2.881 0 50 EFAA c1nc(N2CCCC2)cc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1 253433404 WLSFTMOZXMFUOM-KRWDZBQOSA-N 346.475 2.631 0 50 EFAA Cc1nc2c(C(=O)N[C@@H]3CN(C)C[C@@H]3c3ccccc3)cccc2o1 253421131 QTYRRXGJVWCGSA-IAGOWNOFSA-N 335.407 2.964 0 50 EFAA C[C@H](c1ccccc1)N1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 253420227 JFEACUCBOJSTTD-PBHICJAKSA-N 327.428 2.639 0 50 EFAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)NC2CCOCC2)C1 123992310 ZLKAFOUMMPUUGE-CQSZACIVSA-N 334.391 2.609 0 50 EFAA Cc1cncc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)c1 72168028 JWZNHCGVCBQALO-UHFFFAOYSA-N 335.407 2.540 0 50 EFAA O=C(c1sc2cccc(F)c2c1Cl)N1CCOC[C@@H](CO)C1 77453350 JSYIXMHVTVYGRB-SECBINFHSA-N 343.807 2.775 0 50 EFAA Cc1ccc(-n2cccn2)c(CN(CCN(C)C)C[C@H]2CCCO2)c1 216239262 QVQZJICKIBSQQO-LJQANCHMSA-N 342.487 2.723 0 50 EFAA CC1(C)CC[C@H](NC(=O)c2cnn3cc(Br)cnc23)C1 331734954 ULFDKTZCDCJUOX-JTQLQIEISA-N 337.221 2.800 0 50 EFAA CO[C@H]1CCCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1 378631364 JCESZOUOMYHTLV-AWEZNQCLSA-N 331.416 2.846 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1cc(C)n(Cc2ccccc2)c1C 237128674 GAPNZTHFRSHLCI-SFHVURJKSA-N 325.456 2.977 0 50 EFAA Cc1cc2nc(C(C)C)cc(N[C@@H](CO)[C@@H](O)c3ccccc3)n2n1 72419481 DHVMMFHTWLFEFV-LPHOPBHVSA-N 340.427 2.668 0 50 EFAA Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2cc3c(s2)CCC3)CCO1 333777819 UMDPBFBGRIIQQN-OLZOCXBDSA-N 331.441 2.620 0 50 EFAA N#Cc1ccccc1-c1ccc(-c2nccn2CCCc2nnn[nH]2)o1 72134636 YMECHJXLJPTREV-UHFFFAOYSA-N 345.366 2.828 0 50 EFAA CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1nc(-c2ccncc2)no1 77320187 PDVICFJCUSTMSY-UHFFFAOYSA-N 326.404 2.784 0 50 EFAA FC(F)(F)[C@@H]1CN(Cc2nccn2Cc2ccccc2)CCO1 71551918 IUCOAFUUWIOCIF-AWEZNQCLSA-N 325.334 2.695 0 50 EFAA c1cn(CC[C@@H]2CCCCN2Cc2cnc(N3CCCC3)nc2)cn1 77354663 VOIQBDWFFHCCBA-SFHVURJKSA-N 340.475 2.718 0 50 EFAA O=C(CCCn1cncn1)N1CCC[C@H](COc2ccc(F)cc2)C1 77408414 OAHRFAPXXHANIA-HNNXBMFYSA-N 346.406 2.515 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 237936080 YJTIAPKRKMMGPR-WHWKNOJMSA-N 329.396 2.881 0 50 EFAA CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 262755173 PCXCBVDUAGMOFA-CYBMUJFWSA-N 344.367 2.861 0 50 EFAA O=C(Nc1cccnc1N1CCCC1)N1CC[C@@H](C2CCOCC2)C1 378289139 YOWSFLDMVPREMB-MRXNPFEDSA-N 344.459 2.962 0 50 EFAA COC[C@@H]1CN(C(=O)Cc2c(C)oc3ccccc23)CC(C)(C)O1 343738111 OMLOCBGEKCYCPF-AWEZNQCLSA-N 331.412 2.936 0 50 EFAA CSCC[C@H](O)C(=O)N1CCC(Oc2ccccc2Cl)CC1 72447216 IHGIFAAUMQHZJA-AWEZNQCLSA-N 343.876 2.824 0 50 EFAA COC[C@@H]1[C@@H](NC(=O)c2cc3c(s2)CCCCC3)[C@@H]2CCO[C@@H]21 219829059 HTJKVPVISPIADY-RMHZUWNSSA-N 335.469 2.797 0 50 EFAA COCc1cccc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 130964879 DUFGNIGKOYMPOX-HNNXBMFYSA-N 344.390 2.768 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(F)cc3[nH]cnc13)CC2 245435218 CUNBRPQEMMTQHR-KBPBESRZSA-N 330.407 2.789 0 50 EFAA c1ccc2c(c1)C[C@@H](Nc1nc(-c3ccncc3)nc3c1CNC3)CO2 72155897 HYFPLVGEBBUKKB-OAHLLOKOSA-N 345.406 2.557 0 50 EFAA CC(C)(O)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 242339069 ZERGJZVPOQBRMK-ZDUSSCGKSA-N 330.453 2.803 0 50 EFAA C[C@@H](NC(=O)CSc1ccncc1)c1nncn1C1CCCC1 219093115 QVIJQJRSVROBFM-GFCCVEGCSA-N 331.445 2.758 0 50 EFAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1Br 222189996 HPKRRHAKRSMEKJ-LMOYCYGVSA-N 348.196 2.590 0 50 EFAA CC(C)c1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)nc1 290365035 ZYSFLXWZWHCZQZ-UHFFFAOYSA-N 339.443 2.736 0 50 EFAA COc1ccccc1CCCNC(=O)c1cc(CC(C)C)nn1C 85534012 HHNPPOVHAXXHNS-UHFFFAOYSA-N 329.444 2.990 0 50 EFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc2cccnc12 220354363 XWTSWLRBGLKNPM-MRXNPFEDSA-N 325.412 2.708 0 50 EFAA COCCN1CCC[C@@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 426740379 GHOTWVRRPRAMNW-IUYMFKLXSA-N 345.487 2.700 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]([C@@H](C)N)C2)c1C 237375118 UTZHURNPLRIEKB-ZBFHGGJFSA-N 326.444 2.689 0 50 EFAA Cc1sc2nc(SCCCn3ccnc3)n(C)c(=O)c2c1C 180427220 CIQHZBQQXJLWTH-UHFFFAOYSA-N 334.470 2.991 0 50 EFAA COc1cccc([C@@H]2CN(Cc3ccc(C)o3)C[C@H]2C(=O)O)c1OC 91907049 XAXHGTLPCBKVRV-JKSUJKDBSA-N 345.395 2.905 0 50 EFAA C[C@@H](NC(=O)C1CCN(C2CCN(C)CC2)CC1)c1ccsc1 97732771 LSDCVGNURBARHH-CQSZACIVSA-N 335.517 2.732 0 50 EFAA CCn1ccnc1[C@H]1CCCN(C(=O)COCc2ccccc2)C1 91624584 WBENTPJDBKWQCZ-KRWDZBQOSA-N 327.428 2.826 0 50 EFAA CC(C)=CCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O 95379447 ZUWXPXSMCIOBGD-UHFFFAOYSA-N 345.443 2.712 0 50 EFAA CSCc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)cs1 91663013 LOWIAZVIHFDFRK-ZDUSSCGKSA-N 348.493 2.916 0 50 EFAA CSCCc1nc([C@H]2COCCO2)n(C2Cc3ccccc3C2)n1 96179856 HQSRBHFIHGOVFC-MRXNPFEDSA-N 345.468 2.611 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c(C)o1 95369889 WNDVXPXCDOPDHE-INIZCTEOSA-N 344.459 2.674 0 50 EFAA Cc1nc(C)n(CCCN2C[C@](C)(c3ccccc3)CCC2=O)n1 91932176 QYPOPZLVGPGJHX-LJQANCHMSA-N 326.444 2.865 0 50 EFAA CC(=O)Nc1ccccc1NC(=O)CN(Cc1ccccn1)C1CC1 243901189 AZGZFPNQNHRWEX-UHFFFAOYSA-N 338.411 2.643 0 50 EFAA COc1cccc(OC2CN([C@H](C)C(=O)NC3CCCCC3)C2)c1 252488986 JDGYOXBGLIDNHA-CQSZACIVSA-N 332.444 2.596 0 50 EFAA CCN1CCC[C@H](NC(=O)N(C)CCCOc2ccccc2OC)C1 534655885 WDECPZSOUZGKNM-INIZCTEOSA-N 349.475 2.590 0 50 EFAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C)cc1OCCCN 299757334 LYPQSOYSTJYHSV-INIZCTEOSA-N 334.460 2.754 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 269270878 MHEKAIHIFSXXEA-OLZOCXBDSA-N 326.387 2.710 0 50 EFAA COc1ccc(Cc2nc([C@H](C)N3CCCCC3)n[nH]2)cc1OC 824603756 FLZXMKRXSCHUHA-ZDUSSCGKSA-N 330.432 2.960 0 50 EFAA CC(C)Cc1nc(C2=NNC(=O)CC2)n(Cc2ccccc2Cl)n1 821477558 BPSLWMPGSIEZIB-UHFFFAOYSA-N 345.834 2.792 0 50 EFAA CNC(=O)CCC(C)(C)NC(=O)N(C)[C@@H](C)c1cccc(OC)c1 584885423 SXMAEUJGTAWAJF-ZDUSSCGKSA-N 335.448 2.702 0 50 EFAA CCC1(C(=O)NCC[C@H]2CCN(Cc3nccn3C)C2)CCCC1 1377717239 WHYVCGNUTXIRRK-INIZCTEOSA-N 332.492 2.719 0 50 EFAA COc1cc(NC(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)ccn1 877871589 SJXDMSCDBQLSTD-OAHLLOKOSA-N 349.431 2.732 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@H](C)c2c(C)noc2C)cc1 1875373921 UNXUCQABDZQQAK-LBPRGKRZSA-N 341.411 2.974 0 50 EFAA NCc1ccc2c(c1)OCCN2C(=O)c1c[nH]c(C(F)(F)F)c1 1875315239 MKPRHJLOUGHOJM-UHFFFAOYSA-N 325.290 2.531 0 50 EFAA Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCC4)cc2)n[nH]1 952861048 XHXZVHVQPQSBSC-AWEZNQCLSA-N 340.383 2.595 0 50 EFAA Cc1nc(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)sc1C(=O)O 1772716135 RJLNKWMYMSNIFF-SNVBAGLBSA-N 326.418 2.949 0 50 EFAA Cc1ccc(OCCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c(C)c1 1775961071 GWJIRGGBILUSBI-CQSZACIVSA-N 328.416 2.511 0 50 EFAA O=S(=O)(C[C@@H]1CCCC2(CCC2)O1)NCc1cc(F)ccc1F 1413291467 MFPLGGVAESFZAI-AWEZNQCLSA-N 345.411 2.876 0 50 EFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1cccc(CC3CCNCC3)c1)C2 75939276 VIHCZIWCHWFJJX-UXHICEINSA-N 341.499 2.537 0 50 EFAA C[C@@H](CNC(=O)c1cccc(Br)c1Cl)[S@](C)=O 166863321 DYKHLFPSDMMCHZ-BWKAKNAASA-N 338.654 2.599 0 50 EFAA COc1cccc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c1F 275348951 LPUYZYWHINUHOU-GFCCVEGCSA-N 349.362 2.554 0 50 EFAA C[C@H](NC(=O)CN1CCOc2ccc(Br)cc21)C1CC1 170604689 ANVJWATYTDSTLA-JTQLQIEISA-N 339.233 2.563 0 50 EFAA CC(C)NC(=O)CCNC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 413086634 SEKQFUKOVQQPTD-KRWDZBQOSA-N 343.471 2.880 0 50 EFAA C[C@H]1C[C@H](NCc2noc(-c3cccc(Br)c3)n2)CO1 648029755 UPDZUAGDZVQBQL-CABZTGNLSA-N 338.205 2.766 0 50 EFAA CCS(=O)(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2sccc2C)CC1 195291542 YLJRWABDSNPEOI-KGLIPLIRSA-N 341.498 2.586 0 50 EFAA Cc1ccc2c(c1Br)CN(C(=O)NC[C@H]1CCCO1)C2 661261792 XDRJNPCXFLHCEE-GFCCVEGCSA-N 339.233 2.962 0 50 EFAA CN(C)Cc1cccc(CNC(=O)C2(C(=O)O)CCCCCC2)c1 663105783 LLYHMBPPRXMUFL-UHFFFAOYSA-N 332.444 2.790 0 50 EFAA C[C@@H]1Oc2ccc(NC(=O)c3cc(C4CC4)no3)cc2N(C)C1=O 1506410207 DWMYXDWFYUSVEE-VIFPVBQESA-N 327.340 2.548 0 50 EFAA CC1=CC2(CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)OCC1 1704345001 SPFHFFWDDMDFKM-OAHLLOKOSA-N 333.428 2.590 0 50 EFAA OCC[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1 19641039 QYGCDGCMPMNRFW-FQEVSTJZSA-N 328.431 2.895 0 50 EFAA COc1ccc(OCC(=O)N2CCN([C@H]3CCCC[C@H]3C)CC2)cc1 19841982 SKUSXVFPLNSWDB-APWZRJJASA-N 346.471 2.797 0 50 EFAA O[C@@H]1CC[C@@H](n2ccnc2-c2cnc(-c3ccccc3)s2)[C@H]1O 1857699208 RQLKSQBLCGIZKH-UMVBOHGHSA-N 327.409 2.730 0 50 EFAA Cc1cccc([C@@H](C)CNC(=O)Cc2ccccc2S(C)(=O)=O)c1 225810692 NPTYOVHVYDPIJW-HNNXBMFYSA-N 345.464 2.861 0 50 EFAA CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 143612 QFNUTSJINRSJPE-UHFFFAOYSA-N 336.351 2.985 0 50 EFAA O=C(C1=COCCO1)N1CCSC[C@@H]1c1ccc(Cl)cc1 116136682 JCXYOGVEHBWDNP-CYBMUJFWSA-N 325.817 2.845 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1OCCO 328587007 QHUSYTBDMUMROD-CQSZACIVSA-N 331.368 2.637 0 50 EFAA OC1(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCOCC1 238139169 NBIWOYMFIUOLKS-UHFFFAOYSA-N 344.238 2.900 0 50 EFAA CC(C)n1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)n1 240668136 HMNAFLTZOORVEG-UHFFFAOYSA-N 330.432 2.794 0 50 EFAA Cc1nccn1CCCN1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 247936739 DVMZLQPLPFUMCS-SJORKVTESA-N 331.391 2.521 0 50 EFAA COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(=O)c(OC)co2)c1 253395804 SCXBCRUABWCGDX-UHFFFAOYSA-N 345.351 2.811 0 50 EFAA CCOc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1OC 262212441 IXOKIKXYQYQLFA-GFCCVEGCSA-N 341.791 2.827 0 50 EFAA O=C(O)COc1ccc(NC(=O)C[C@H]2CCCCO2)cc1Cl 263252972 HSWGFZAREZVVCB-LLVKDONJSA-N 327.764 2.701 0 50 EFAA CC(C)[C@H]1N(S(=O)(=O)c2csc(C(=O)O)c2)CC12CC=CC2 907025353 VCFQSBDYKHFPJX-CYBMUJFWSA-N 341.454 2.812 0 50 EFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 67471 OFLFPNJNGFZVLG-LBPRGKRZSA-N 328.290 2.896 0 50 EFAA O=C(CNCCc1cc(F)cc(F)c1)Nc1ccc(Cl)cn1 2069822676 MQWIKNJATTZAPQ-UHFFFAOYSA-N 325.746 2.784 0 50 EFAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(F)cc1 100129537 WCXLOMUOEZKKOY-CCKFTAQKSA-N 348.370 2.920 0 50 EFAA NC(=O)c1c(C2CCCCC2)csc1NC(=O)Cc1cncnc1 2325806509 DZOZILYZSNFPMM-UHFFFAOYSA-N 344.440 2.866 0 50 EFAA C[C@@H]1CN(C)c2ccccc2N(Cc2nc3c(s2)CNCC3)C1 2325813155 QOTNFFTUOIUDDW-CYBMUJFWSA-N 328.485 2.881 0 50 EFAA CN(Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[C@H]1C(F)(F)F 2325814106 VDKXVTUNSVIVRH-QWHCGFSZSA-N 325.338 2.887 0 50 EFAA C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 150173548 FZECBQFAODDFHV-CZUORRHYSA-N 343.427 2.823 0 50 EFAA COC1(CN(C)C)CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 2356149086 JGVHJRWWBXVJBA-UHFFFAOYSA-N 343.427 2.524 0 50 EFAA COc1ccccc1COC(=O)Cn1c(=O)sc2ccccc21 3106423 KGXWQDWZICTCHE-UHFFFAOYSA-N 329.377 2.815 0 50 EFAA Oc1cccc(CN2CC[C@](O)(c3ccccc3)[C@@H](O)C2)c1Cl 2356156355 XRZOXRYDTLJZLT-WMZOPIPTSA-N 333.815 2.500 0 50 EFAA CC[C@@H](CO)NCc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 4840499 DTLJXMDJHIJUFG-ZWKOTPCHSA-N 345.439 2.668 0 50 EFAA O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 8048364 QGHMYNDBMLNOND-UHFFFAOYSA-N 345.424 2.555 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H]1OCCc2sccc21 248163668 YWFIEENCTGVTQH-OAGGEKHMSA-N 334.485 2.837 0 50 EFAA COCc1cn(CC2CCN(C(=O)NC3CCCCCC3)CC2)nn1 55198997 IDCPTFNCHTWQDS-UHFFFAOYSA-N 349.479 2.569 0 50 EFAA O[C@@H]1CN(C/C=C/c2ccco2)CC[C@H]1c1ccc2c(c1)OCO2 65420730 FXXYWLFKAFDJJY-JJVOZYGNSA-N 327.380 2.872 0 50 EFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 67587170 KZZAIWWBZCFGAZ-KRWDZBQOSA-N 344.503 2.780 0 50 EFAA COc1cc(-c2nc(Cn3cc(C)cn3)c(C)o2)cc2c1OCO2 67886658 GDBIMSYWVWFUMK-UHFFFAOYSA-N 327.340 2.941 0 50 EFAA O=C(Cc1c(F)cccc1Cl)Nn1nnnc1Nc1ccccc1 55389 ATGDHLVANXVEBH-UHFFFAOYSA-N 346.753 2.522 0 50 EFAA O=C(O)Cc1cccc(NS(=O)(=O)c2cccc3ncccc23)c1 325811697 PVLDVTFZXOCWFD-UHFFFAOYSA-N 342.376 2.663 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2)c1 326733957 HUPCRDSMMZQXIJ-KRWDZBQOSA-N 333.347 2.528 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2nccc(-c3cccs3)n2)cc1 1386171 LTBQAXPDQPGDFW-UHFFFAOYSA-N 332.410 2.588 0 50 EFAA C[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1 67631115 DWGQGZYQENAHFX-LLVKDONJSA-N 340.379 2.523 0 50 EFAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCOC[C@@H]1c1ccccc1 253428022 OPQQWYHFUBXFHW-GOSISDBHSA-N 349.394 2.873 0 50 EFAA CN(C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)ns1 328637293 ONXSOGAORRLTKQ-ZDUSSCGKSA-N 332.477 2.543 0 50 EFAA Cc1nc([C@@H]2CN(C(=O)Cc3csc4ccccc34)CCO2)no1 329539814 MVECSTAWJIANRK-AWEZNQCLSA-N 343.408 2.735 0 50 EFAA Cc1ccc2oc(C(=O)Nc3cccc(-c4nnnn4C)c3)cc2n1 363382906 FQKDHRGAWIITSR-UHFFFAOYSA-N 334.339 2.579 0 50 EFAA COc1cc2c(cc1CN1CCC[C@@H](N(C)C)CC1)OCCCO2 72154474 IXOOLCCLYJMTQY-MRXNPFEDSA-N 334.460 2.773 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCc3n[nH]cc3C2)c(F)c1 72456638 XEFQIUOIUNOYEP-UHFFFAOYSA-N 327.363 2.506 0 50 EFAA CC(C)c1nnsc1CNC(=O)c1cccc(-c2ncc[nH]2)c1 215716425 UMDZDKJHCXKKBU-UHFFFAOYSA-N 327.413 2.982 0 50 EFAA Cc1ccccc1-c1nc(C(=O)N[C@@]2(C(=O)O)CCSC2)cs1 262112708 HZVWIVRBRZOBFV-INIZCTEOSA-N 348.449 2.809 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)cc1 284740602 DMSGDCGHUDWBKG-NLWGTHIKSA-N 330.472 2.952 0 50 EFAA C[C@@H](NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccnn1C 447583274 BCUAGAZKQXGRKD-TZMCWYRMSA-N 341.377 2.941 0 50 EFAA CCc1ncnc(N2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1F 375126191 OWEZITGJVWBBJG-CQSZACIVSA-N 332.379 2.749 0 50 EFAA C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CN 237619946 JCLBCMASETVZRV-XJKSGUPXSA-N 345.418 2.999 0 50 EFAA Cc1ccc(C2(C(=O)N[C@@H](C)c3cnn(C)c3)CCOCC2)cc1 158850174 DQGLDCZOWHRKTN-HNNXBMFYSA-N 327.428 2.654 0 50 EFAA CCNc1nc(C)c(C(=O)NCc2ccc3nc(C)[nH]c3c2)s1 215740904 PVZVVULDKCEFDE-UHFFFAOYSA-N 329.429 2.998 0 50 EFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1=Cc2ccccc2OC=C1 72167230 ATXSTUHPBQVWNM-QGZVFWFLSA-N 348.406 2.551 0 50 EFAA O=C(NCc1nccs1)N1CC[C@H](COCc2ccccc2)C1 175713492 VDYKNZVPQLWUTB-HNNXBMFYSA-N 331.441 2.891 0 50 EFAA Cc1cnn(C[C@@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)c1 176049992 CNKXRYPSKYBCOV-INIZCTEOSA-N 347.484 2.812 0 50 EFAA Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289089713 LGDQDPHRCJCDDS-HNNXBMFYSA-N 344.463 2.575 0 50 EFAA CCC(CC)(CNC(=O)Cc1cccc(N2CCCC2=O)c1)OC 292128411 IGHJPCOUYYTBCJ-UHFFFAOYSA-N 332.444 2.677 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C12CCC2 246450687 UPDJKBVAKLYKKP-SLUKUZTOSA-N 335.492 2.649 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCCn3cnc(C)c3C)cc2)c(N)n1 426401636 CZQPTLFAKFOCHD-UHFFFAOYSA-N 349.438 2.883 0 50 EFAA Cc1c(CNC(=O)N2CCCC[C@H]2CCc2ccccn2)cnn1C 426503303 MXKAEMDZXKDFIT-SFHVURJKSA-N 341.459 2.820 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1cncs1)CC2 426423856 YZTPBULNARRHFV-JLJPHGGASA-N 336.457 2.722 0 50 EFAA CCCCn1ccnc1C1CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC1 91492911 MRUOLJWWSFWONV-KRWDZBQOSA-N 348.491 2.550 0 50 EFAA CC(C)COc1ccccc1NC(=O)N1CCC2(CC1)C[C@@H](O)CO2 97797328 SPIBUWIBEFDTOG-OAHLLOKOSA-N 348.443 2.869 0 50 EFAA Cc1cccc2nc(C(=O)N3CCN[C@@H](c4ccccc4)C3)c(F)n12 97813863 YSLWFZNJMZAQKX-OAHLLOKOSA-N 338.386 2.569 0 50 EFAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1O 91644522 AWPUQXBNKFPOFL-JKSUJKDBSA-N 327.380 2.701 0 50 EFAA CCCc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)[nH]n1 91602810 CUZOQOVZMHJUES-UHFFFAOYSA-N 331.420 2.888 0 50 EFAA COc1ccccc1-n1cc(CN2CC(n3nc(C)cc3C)C2)cn1 97657344 WYACYPZHEGEHFN-UHFFFAOYSA-N 337.427 2.751 0 50 EFAA COCc1cc(CN(C)C(=O)c2[nH]c3ccc(C)cc3c2C)n[nH]1 97572352 WBZVOSVSXDNETP-UHFFFAOYSA-N 326.400 2.926 0 50 EFAA O=C(CCn1c(CO)nc2ccccc21)N1CC[C@H]1c1cccs1 97088095 BCXAJSUAPQSKLL-HNNXBMFYSA-N 341.436 2.954 0 50 EFAA Cc1nc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)sc1C 92077969 ZVMMWFUQUYQVIF-UHFFFAOYSA-N 327.409 2.574 0 50 EFAA C[C@H](Nc1nc(N)nc2c1CCCC2)c1ccc2c(c1)OCCO2 95355467 CYCJRDDVWMDNGB-NSHDSACASA-N 326.400 2.882 0 50 EFAA CN(CC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1)C1CCCC1 95375208 QGBGHXRTEGONLY-KRWDZBQOSA-N 344.455 2.965 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)C[C@H]2CCOc3ccccc32)c1 162746682 ZHIJNVDDELROOM-CYBMUJFWSA-N 349.394 2.772 0 50 EFAA O=C(NCc1ccccc1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 92037514 CMIOIAQQAHWTAB-UHFFFAOYSA-N 341.455 2.763 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 243900952 AXVNIUXCAYKSQB-PVXIVEMSSA-N 331.391 2.917 0 50 EFAA Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 185145798 QJUVVEWSEUBXCA-CYBMUJFWSA-N 335.381 2.812 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 299778278 MMEFYCBFCBUQKM-MRXNPFEDSA-N 341.390 2.948 0 50 EFAA O=C(CCCn1cncn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 299778843 HXVUGCSBLVTXOO-RDJZCZTQSA-N 330.407 2.725 0 50 EFAA COc1ccc(CCCC(=O)NC2(C(N)=O)CCCCCC2)cc1 299783148 XVFXRPWAXNKDKU-UHFFFAOYSA-N 332.444 2.712 0 50 EFAA O=C1NCc2nccc(N3CCC(c4nc5ccccc5o4)CC3)c21 1875310402 OSQXGGUOACRVSW-UHFFFAOYSA-N 334.379 2.850 0 50 EFAA O=C1c2ccccc2N[C@@H](c2cccc(-c3cncnc3)c2)N1CCO 1875349971 VJYATQRKHNOWSL-LJQANCHMSA-N 346.390 2.702 0 50 EFAA O=C(NC[C@H]1C[C@@]12CCOc1ccccc12)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875307844 MVNALUNWXJLSBD-XNXCIOHSSA-N 327.424 2.801 0 50 EFAA CCCCN(C)C[C@@H](C)N=c1nc(-c2ncccn2)[nH]c(Cl)c1C 1875325748 BMKCIBDARGUOEA-GFCCVEGCSA-N 348.882 2.850 0 50 EFAA Cc1ccn(C)c1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848719 SMWVKEMLHNRUAV-CABCVRRESA-N 339.443 2.595 0 50 EFAA CN1CCC(c2ncc(C(=O)N3CCC[C@@H]3c3cccn3C)[nH]2)CC1 952848402 GKADPEJWDXYGEH-QGZVFWFLSA-N 341.459 2.535 0 50 EFAA COc1ccc(-c2noc(C[C@H](O)COCc3ccccc3)n2)cc1 952847898 IWLKNCPFULXSTO-INIZCTEOSA-N 340.379 2.865 0 50 EFAA O=S1(=O)CC2(CCC(Nc3c[nH]nc3-c3ccccc3)CC2)C1 952995007 ADUVTFWPSNEYEA-UHFFFAOYSA-N 331.441 2.846 0 50 EFAA Cc1ccccc1[C@@H]1CN(c2nnc(Cc3cccnc3)n2C)CCO1 1875280684 RMRWURDEIFZCIZ-SFHVURJKSA-N 349.438 2.687 0 50 EFAA CC(C)(C)n1nccc1CN1CC[C@@](C(=O)O)(c2ccccc2)C1 1875283078 FHLDDBKJIPHXOD-IBGZPJMESA-N 327.428 2.866 0 50 EFAA c1nc(C2CCCCC2)cc(=NC[C@H]2CCN2C2CCOCC2)[nH]1 1875288021 KQLLEXKULOAVTO-QGZVFWFLSA-N 330.476 2.611 0 50 EFAA CC1=C(C(=O)N(Cc2ccccc2C)C[C@H]2CCCO2)OCCO1 952986809 KSIJVQBGBLFZMT-QGZVFWFLSA-N 331.412 2.781 0 50 EFAA Cc1ccc(NC(=O)c2ccccc2F)cc1NC(=O)CN(C)C 952962396 BCVGGABQVQZLEB-UHFFFAOYSA-N 329.375 2.887 0 50 EFAA Cc1nc2sccn2c1C(=O)NCc1cnn(CC2CCC2)c1 887353419 OSHAMBCEXLTDHC-UHFFFAOYSA-N 329.429 2.631 0 50 EFAA O=C1CCCN1c1cncc(C(=O)N(Cc2ccoc2)C2CC2)c1 889087408 KIIUYFUHWXAZPY-UHFFFAOYSA-N 325.368 2.606 0 50 EFAA C[C@@H](CNc1ncc(Br)c2cccnc12)c1nncn1C 893400475 DSHVYTCPMRVOMP-VIFPVBQESA-N 347.220 2.736 0 50 EFAA Cn1c(=O)c(CNCC2(CO)CC3(CCC3)C2)cc2ccccc21 1474128960 NQQUKZMKTXHZEO-UHFFFAOYSA-N 326.440 2.571 0 50 EFAA CCc1cccc2c1OCC[C@H]2NS(=O)(=O)C1(COC)CCC1 1462981626 JDUWZJNOSCKEMC-OAHLLOKOSA-N 339.457 2.561 0 50 EFAA COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl 271538778 CXPKNZKSXZMKLJ-IAQYHMDHSA-N 347.864 2.831 0 50 EFAA CC(C)c1nc(N2CCC(Nc3cccnn3)CC2)c2cc[nH]c2n1 631101984 MSMGCKIZGQTZEH-UHFFFAOYSA-N 337.431 2.952 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1Cn1ccnc1 277238943 OGRHUELEPZRXFF-MSOLQXFVSA-N 327.428 2.753 0 50 EFAA COc1cc(CN(C)c2cc(C(C)C)[nH]n2)ccc1S(C)(=O)=O 169996391 HEHZTBLNLJISQG-UHFFFAOYSA-N 337.445 2.582 0 50 EFAA Cn1cc(C[C@@H]2CCN(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)C2)cn1 170649312 JCOKIYDGEIPCLV-QGTPRVQTSA-N 330.476 2.963 0 50 EFAA CCNC(=O)C1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 170652688 YAQMXIDPODVFSR-UHFFFAOYSA-N 340.448 2.722 0 50 EFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1 280657415 BAHDLIMZVZGTQH-IXDOHACOSA-N 340.402 2.504 0 50 EFAA CN(Cc1ncon1)C(=O)c1cc2sc(N3CCCC3)nc2s1 281064021 CTEHXRNLQIJSEL-UHFFFAOYSA-N 349.441 2.613 0 50 EFAA COc1ccsc1C(=O)NC1CCN(Cc2ccncc2)CC1 171708864 YOFMGXSUWBMUON-UHFFFAOYSA-N 331.441 2.546 0 50 EFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 225741921 RGZAGULTKCBAEZ-CABCVRRESA-N 332.444 2.575 0 50 EFAA CC(C)n1nccc1NC(=O)[C@H](C)N1CCC([C@H]2CCCO2)CC1 189188578 RRTGAEJVQDULBT-GOEBONIOSA-N 334.464 2.682 0 50 EFAA Cn1ccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1=O 640209111 AGKKOVFGVPXNGB-YOEHRIQHSA-N 341.411 2.675 0 50 EFAA CN(C)CC(=O)N1CCC(c2ccccc2Br)CC1 189956937 SADCGPKSPITUOY-UHFFFAOYSA-N 325.250 2.717 0 50 EFAA CC[C@@H](C(=O)O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 191436987 JLUHOZFURJYDSD-HOTGVXAUSA-N 326.387 2.897 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CC4OCCCO4)C3)nc2c1 193649893 YRKRDXRXYLGTQU-AWEZNQCLSA-N 343.427 2.730 0 50 EFAA COc1cc2[nH]ccc(=NCCc3ccc(CO)cc3)c2cc1OC 665710410 AMVKHYAFIPPMQU-UHFFFAOYSA-N 338.407 2.821 0 50 EFAA C[C@H](Cc1ccco1)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 769354647 LTHSWWJTLVPMKL-GFCCVEGCSA-N 326.400 2.981 0 50 EFAA OC[C@H]1OCCN(Cc2ccc(-n3ccnc3)cc2)[C@@H]1c1ccccc1 1704278313 SCDPNGJGVMASSL-NHCUHLMSSA-N 349.434 2.807 0 50 EFAA COc1cc2c(cc1OC)CN(c1ncc(C(C)=O)c(C)n1)CC2 1704307476 GYPXGQYOHKSMMW-UHFFFAOYSA-N 327.384 2.568 0 50 EFAA COc1c(NC(=O)C(C)(C)C)ccnc1I 35605555 HEOFKBIGTLFGBD-UHFFFAOYSA-N 334.157 2.679 0 50 EFAA in-vitro CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCCO1 11753406 LEKOXSJUEGWLTE-SFHVURJKSA-N 339.439 2.903 0 50 EFAA O=C(NCCc1cccnc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12308551 ISNCCGSVEAJOCP-SFHVURJKSA-N 343.471 2.559 0 50 EFAA O=C(CCn1cccn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 12581841 MQGIPIYDSZUAHZ-KRWDZBQOSA-N 347.422 2.924 0 50 EFAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCc2[nH]nc(C3CC3)c2CC1 1857667795 WODLLZLXFKNPIE-UHFFFAOYSA-N 347.422 2.918 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 237654866 GZKJMUFBYMYZBG-INIZCTEOSA-N 334.759 2.932 0 50 EFAA CC(=O)c1cc(CN2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)n(C)c1 213442323 ZTYROZGPKZOAOL-MOPGFXCFSA-N 340.423 2.836 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 331547911 IIMOGGKMAJHBSN-GDBMZVCRSA-N 333.819 2.638 0 50 EFAA CC(C)Oc1ccc(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 657312870 OVUKFSWVILQRSF-QFBILLFUSA-N 344.459 2.860 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1Cc1nnc(-c2ccccc2Cl)o1 344359249 FNXVLDYRHMNWBQ-NWDGAFQWSA-N 337.807 2.626 0 50 EFAA O=C1CCC(=O)N1CCN[C@H](c1cccc(Cl)c1)c1ccccn1 133789808 JINHYFMQRGQKLA-GOSISDBHSA-N 343.814 2.563 0 50 EFAA Brc1ccc(-c2noc(CN3CCO[C@H]4C[C@H]43)n2)s1 367847223 DXBPGFQYVBQPDZ-SFYZADRCSA-N 342.218 2.534 0 50 EFAA CN(Cc1cccc2c1OCCO2)[C@H](c1ccccc1)c1nc[nH]n1 852150646 ASPHTKNXNOTIAA-QGZVFWFLSA-N 336.395 2.797 0 50 EFAA c1ccc([C@@H]2C[C@H]3[C@H](CCCN3Cc3n[nH]c4c3COCC4)O2)cc1 930867071 MAZTYENBYTZCAQ-UFYCRDLUSA-N 339.439 2.977 0 50 EFAA NC(=O)NC1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 2325733962 RXBJJDSJWFQDDS-YMAMQOFZSA-N 333.432 2.950 0 50 EFAA O=C(O)CC[C@H]1C[C@@H](NCc2ccc(Cl)cc2-n2cncn2)C1 2325771111 SVAGIQHPVJBTJL-VDISTLRHSA-N 334.807 2.654 0 50 EFAA O=C(O)C[C@@H]1CCN(Cc2noc3c2CCCC3)CCC1(F)F 2325780036 BQTKWYZCSDQPMR-NSHDSACASA-N 328.359 2.875 0 50 EFAA Cc1[nH]c(=N)[nH]c(=NCc2cc(-c3ccc(Cl)cc3)on2)c1C 2325858124 ABEJBMRCLXHLEX-UHFFFAOYSA-N 329.791 2.848 0 50 EFAA Cn1ccnc1SCC(=O)Nc1ccc(Br)cc1 40614 VCDKRINFNDLJLX-UHFFFAOYSA-N 326.219 2.913 0 50 EFAA COc1ccc(NC(=S)NC(=O)c2ccccc2OC)c(OC)c1 455034 IQRKLFQYIMFORU-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccco1 2225127 DAPOJQVHRRONEQ-INIZCTEOSA-N 336.351 2.860 0 50 EFAA Cc1nc(=NC[C@H](c2cccnc2)N2CCCCC2)[nH]c(C)c1C 2356143864 AZABIJLDCMGZFN-GOSISDBHSA-N 325.460 2.858 0 50 EFAA Cc1nc(C)c(CNC(=O)c2ccc(-c3cncc(N)n3)cc2)s1 2356169800 HKAGTZDYIIKVQQ-UHFFFAOYSA-N 339.424 2.729 0 50 EFAA Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)s1 4842271 OQLBMXNPQOFHGA-UHFFFAOYSA-N 328.353 2.944 0 50 EFAA CCCCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1 4866819 QVOCOYWGAGBFBF-UHFFFAOYSA-N 345.403 2.729 0 50 EFAA COc1cc(CNc2nnnn2C)ccc1OCc1ccccc1C 4998038 FVDRSVSSOINWDI-UHFFFAOYSA-N 339.399 2.718 0 50 EFAA C[C@H](C(=O)Nc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 6700949 SHVAUIMXCHYGON-GFCCVEGCSA-N 336.388 2.619 0 50 EFAA COc1ccccc1-c1nnn(CC(=O)Nc2cc(C)cc(C)c2)n1 10337494 YANVGVRAKXUYKK-UHFFFAOYSA-N 337.383 2.604 0 50 EFAA O=C(NCc1nnc2n1CCCC2)c1ccc2[nH]c3c(c2c1)CCCC3 53901927 RGADFHXHWXHFJI-UHFFFAOYSA-N 349.438 2.905 0 50 EFAA C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 248244716 IYBMYHSMNZCTQD-LMRQPLJMSA-N 336.457 2.672 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c2cccc(C)c2n1 67773584 MIYNDMUFPONKHD-INIZCTEOSA-N 325.412 2.544 0 50 EFAA CN1CCC(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)CC1 67714678 QISLCGMOUXHDGK-UHFFFAOYSA-N 339.439 2.743 0 50 EFAA Cc1nn(C)c2c1[C@H](c1cc(F)ccc1-n1cccn1)CC(=O)N2 65434668 HZWJVLXSBVCICY-ZDUSSCGKSA-N 325.347 2.527 0 50 EFAA O=C(Cc1ccc(Cl)cc1)OCCn1cnc2ccccc2c1=O 22468354 RWDXYXRMUNTAIJ-UHFFFAOYSA-N 342.782 2.836 0 50 EFAA CCOc1cccc2[nH]cc(CCNC(=O)N3CCC[C@@H](OC)C3)c12 252503035 UXQHJWATYVRNBS-OAHLLOKOSA-N 345.443 2.930 0 50 EFAA Cc1ccccc1S(=O)(=O)NC[C@H]1CCCN(Cc2ccco2)C1 67689131 WJZQVXKZEQAQHE-MRXNPFEDSA-N 348.468 2.779 0 50 EFAA Cc1scc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1C 253418569 WOTLEPCVZXVRKH-INIZCTEOSA-N 328.437 2.896 0 50 EFAA CCn1cnnc1[C@@H]1CN(C(=O)c2oc3ccccc3c2C)CCO1 328641497 XZLRMSLMUGOYIR-HNNXBMFYSA-N 340.383 2.566 0 50 EFAA CCC[C@@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccc(F)cc1F 253431562 SCUJDUCCGAPTPZ-OAHLLOKOSA-N 349.385 2.931 0 50 EFAA CCN1CC2(CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)CC1=O 72428159 CWWNLWQBUMBBOS-KRWDZBQOSA-N 340.467 2.968 0 50 EFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 72151110 PHDYNHDJJHRCCJ-LJQANCHMSA-N 345.531 2.839 0 50 EFAA C[C@@H](OCc1ccccc1)C(=O)N1CCc2ccc(C(=O)O)cc2C1 261545557 CTCTWWPWOOFMJV-CQSZACIVSA-N 339.391 2.875 0 50 EFAA C[C@](O)(C(=O)N(Cc1ccc(F)cc1)CC1CC1)C1CCOCC1 340399353 DKNBXZSYWOXWKD-LJQANCHMSA-N 335.419 2.742 0 50 EFAA O=C(NC1CCC(N2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1C1CCCCC1 127318769 XYSYMAOWDRHSJW-SJJHQCBESA-N 346.471 2.779 0 50 EFAA Cc1ccc([C@@H](NC(=O)C(=O)c2cccn2C)c2ccncc2)cc1 71714805 NOUDLIVEMDWWOY-GOSISDBHSA-N 333.391 2.817 0 50 EFAA O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CC[C@]2(CCOC2)C1 157986765 ITANHCCRTUWRCX-SFHVURJKSA-N 344.390 2.715 0 50 EFAA O=C(O)CCN(C(=O)c1csc2ccccc12)C1CCOCC1 238076464 RLFMLRBAJCNMHB-UHFFFAOYSA-N 333.409 2.997 0 50 EFAA CC1=CCN(Cc2ccccc2OCCCN2CCOCC2)CC1 216473784 SLWFJBMBKZLUGP-UHFFFAOYSA-N 330.472 2.940 0 50 EFAA Cn1ccc2ccc(CN3CCN(Cc4ccccc4CO)CC3)cc21 215473166 WCPFGTVPHHUJDA-UHFFFAOYSA-N 349.478 2.988 0 50 EFAA CCc1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)ccn1 72167534 QPGUWDLBZJCKKR-OAQYLSRUSA-N 349.478 2.959 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 286971483 NTTOHMWNRSLZRU-NYYJTOMGSA-N 344.411 2.663 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@@](CNc4ccccc4)(O3)[C@@H]2C(=O)N1c1ccccc1 222336394 DVLWUFGRPQZUNT-WKRCXCSHSA-N 346.386 2.612 0 50 EFAA Cc1c(CC(=O)N2CCC(Cc3cccc(F)c3)CC2)cnn1C 293053247 PJXWMMACCLCYQK-UHFFFAOYSA-N 329.419 2.891 0 50 EFAA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1csc(C(C)=O)c1)C2 221333456 DTNOLSVFWBACIG-MRXNPFEDSA-N 333.457 2.997 0 50 EFAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCCOc1ccccc1)C2 220235037 XFDXRIVVYJKSKE-GOSISDBHSA-N 343.427 2.528 0 50 EFAA CC(C)[C@H](Nc1ncnc2ccccc12)C(=O)NCc1ccccn1 426465397 BBTJSGKFYMGSJM-KRWDZBQOSA-N 335.411 2.778 0 50 EFAA CCc1nc(C)c(CNC(=O)c2ccc(C)cc2OCCCN)s1 426428354 QBAIHKITZPAFHQ-UHFFFAOYSA-N 347.484 2.980 0 50 EFAA COc1c(C)cc(C(=O)NCc2nnc3n2CCCCC3)cc1C 179685645 BKJDHBOECKWWIJ-UHFFFAOYSA-N 328.416 2.560 0 50 EFAA C[C@@H](Cc1cnccn1)NC(=O)C(C)(C)Oc1ccc2c(c1)CCC2 222526468 HBQJAGXRQDMKKC-AWEZNQCLSA-N 339.439 2.870 0 50 EFAA CNc1nc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cs1 95360892 IHUIJHZBMCBTDP-ZDUSSCGKSA-N 345.424 2.903 0 50 EFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 95360425 ASHRFXFDVWKFOM-OAHLLOKOSA-N 343.431 2.940 0 50 EFAA CCC[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C[C@H]1N(C)C 95531346 NZTYYRGXJMHZLG-CXAGYDPISA-N 342.443 2.585 0 50 EFAA COc1cc(OC)cc([C@H](O)CNc2ncnc3cc(F)ccc23)c1 95378998 WUYAAMMZJUMVNV-QGZVFWFLSA-N 343.358 2.932 0 50 EFAA COc1cc2c(cc1NC(=O)NCCCc1c(C)n[nH]c1C)OCO2 96133092 BMWJFBLRPRRQDT-UHFFFAOYSA-N 346.387 2.518 0 50 EFAA CN1CCc2ncnc(N3CCC[C@H]3Cc3ccc(F)cc3)c2C1 242140895 WQEUBKOUWCKBBN-INIZCTEOSA-N 326.419 2.815 0 50 EFAA O=C1NCN(C2CCCCC2)C12CCN(Cc1ccccc1)CC2 602993655 REWBCBYJTJKXOU-UHFFFAOYSA-N 327.472 2.743 0 50 EFAA COC[C@@H](c1ccccn1)N(C)Cc1nc(O)c2sccc2n1 253537379 SLNPXYYDPPVNAQ-ZDUSSCGKSA-N 330.413 2.611 0 50 EFAA C[C@H]1CCc2c(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)csc2C1 184524457 IDTYVUUUSZUUDC-JTQLQIEISA-N 341.436 2.973 0 50 EFAA COc1coc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O 370536918 YKBYPDOXILSDJQ-AWEZNQCLSA-N 327.380 2.914 0 50 EFAA O=C(CCN1CCCC1=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 828057151 DEHIIUQZAZWWGR-KRWDZBQOSA-N 346.427 2.586 0 50 EFAA Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1cc(-c2ccccn2)no1 584890760 CGOMTOBMVCZFLI-ZDUSSCGKSA-N 339.399 2.851 0 50 EFAA C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H](C2CCN(C)CC2)C1 270219823 MKTDXNNJXKDILA-APWZRJJASA-N 330.472 2.782 0 50 EFAA CC(C)ONC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1450276529 UCZKKTZRJOJPNB-UHFFFAOYSA-N 342.321 2.602 0 50 EFAA CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)cn1 270942607 NRNHJVGTCVMGCQ-GFCCVEGCSA-N 325.206 2.818 0 50 EFAA CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2c2nn[nH]n2)cc1 952880286 CFWPWUHHQITKPW-RISCZKNCSA-N 330.392 2.746 0 50 EFAA CCCn1cnnc1S(=O)(=O)Cc1ccccc1C(F)(F)F 1875279208 CLIXGIVLXFVDRV-UHFFFAOYSA-N 333.335 2.681 0 50 EFAA CCCN1C[C@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 1875266058 LBXIUYZVWHYSFY-QWHCGFSZSA-N 342.395 2.541 0 50 EFAA Cc1ccc2sc(N3CCC(n4c(C)n[nH]c4=N)CC3)nc2c1 1875287171 XFCCITUUBVTDSV-UHFFFAOYSA-N 328.445 2.759 0 50 EFAA O=C(c1ncn2c1COc1ccccc1-2)N1CC[C@H]2[C@H](CC1)C2(F)F 1875309709 KCIXUYPNMRCOKN-RYUDHWBXSA-N 345.349 2.882 0 50 EFAA C=CC(=O)N1CC(C[C@@H](C)NC(=O)/C(C)=C/c2ccc(F)c(F)c2)C1 1875389563 SVSCYGBNSPULLL-BWODNOAJSA-N 348.393 2.907 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2CN2CC=C(c3ccnn3C)CC2)cn1 888075957 GWFOEMISQYSEET-APWZRJJASA-N 341.459 2.503 0 50 EFAA c1ccc(-c2cncn2CCNc2c3c(nc4ncnn24)CCC3)cc1 894972459 BMUZTUBLQDPRNT-UHFFFAOYSA-N 345.410 2.589 0 50 EFAA Nc1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2Cl)n1 16527050 VCPFAFPYMIYJTP-UHFFFAOYSA-N 332.212 2.830 0 50 EFAA CS(=O)(=O)C1(c2noc([C@@H]3OCC[C@@H]3c3ccccc3)n2)CCC1 896454286 OAPKBMQARRKVKX-ZIAGYGMSSA-N 348.424 2.739 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2ncn[nH]2)cc1 186034115 XKENLIOOMQRVBZ-HZPDHXFCSA-N 328.416 2.653 0 50 EFAA Cc1cc(O)c(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cn1 277634146 HCKDLQUFUGTJDP-UHFFFAOYSA-N 340.423 2.553 0 50 EFAA Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCC[C@@H](C)C3)ccc12 170626130 UXDZYVBVMLGTGP-HIFRSBDPSA-N 331.412 2.573 0 50 EFAA CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@H]2CCC(=O)N(C)C2)c2ccccc21 279654649 XBOCSGYHODEBIY-MPGHIAIKSA-N 343.471 2.834 0 50 EFAA c1ccc(-n2nccc2CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 279787628 IBOJJMIRADRUOB-MRXNPFEDSA-N 348.454 2.790 0 50 EFAA Cn1ncc(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)c1C(F)F 683150914 KYRVLKQFINSQGY-UHFFFAOYSA-N 340.334 2.619 0 50 EFAA CCC(C)(C)OC1CN(C(=O)NC2CCC(CN(C)C)CC2)C1 636959027 HORRVVGRYFSABY-UHFFFAOYSA-N 325.497 2.706 0 50 EFAA O=S(=O)(c1ccco1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 188711445 NTDBPSGXEBOCOB-INIZCTEOSA-N 339.388 2.553 0 50 EFAA Cc1ccc(C(C)(C)CN(C)C(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 742012277 BIRVENMGGBBJDC-HNNXBMFYSA-N 335.469 2.679 0 50 EFAA Cc1cc(C)cc(-n2nc(NC(=O)N3C[C@@H](C)[C@H](CO)C3)cc2C)c1 190150324 SWTLZFUOOWFMBA-ZBFHGGJFSA-N 342.443 2.890 0 50 EFAA CC(C)(C)S(=O)(=O)CC(=O)N1CCCSc2ccc(F)cc21 190440493 ZFLIFYORSDWWSR-UHFFFAOYSA-N 345.461 2.868 0 50 EFAA CCc1nc(C2CCN(C(=O)c3cncc(OC(C)C)c3)CC2)n[nH]1 191497985 GFHUVSWMNNTKNM-UHFFFAOYSA-N 343.431 2.569 0 50 EFAA CCOc1ccccc1C(=O)N1CCN(C[C@H]2CCC=CO2)CC1 193684955 YJAGNLBJRHUXTH-MRXNPFEDSA-N 330.428 2.536 0 50 EFAA CCC(CC)(CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)O 659140326 NSINTZSZSOAATO-UHFFFAOYSA-N 346.427 2.561 0 50 EFAA Cc1csc(C2(NC(=O)[C@@H]3CCc4nc[nH]c4C3)CCCC2)n1 668660396 OQXAZTQOUXMHOO-GFCCVEGCSA-N 330.457 2.865 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccnn2C2CCN(C)CC2)cc1C 1506425230 DVYQEVYURXUPFU-UHFFFAOYSA-N 342.443 2.784 0 50 EFAA CCc1ccc(C(=O)N2CCCN(C[C@@H]3CCC[C@H](N)C3)CC2)s1 1529186397 YGUIKRAPFDTHGM-CVEARBPZSA-N 349.544 2.976 0 50 EFAA O=C(Cc1ccsc1)N1CCC(=O)N(Cc2cccc(F)c2)CC1 12100336 QREWAOAZWDRQIJ-UHFFFAOYSA-N 346.427 2.691 0 50 EFAA O=C(O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 19720618 KBFPUUYIBBJCDE-CQSZACIVSA-N 344.754 2.782 0 50 EFAA CO[C@H]1CCC[C@H](c2nc(-c3ccsc3S(C)(=O)=O)no2)C1 1857528089 CVHONVIQTOWDJI-UWVGGRQHSA-N 342.442 2.874 0 50 EFAA CC(C)n1c(CN2CCc3[nH]nc(C(=O)O)c3C2)nc2ccccc21 1857670777 BVOLROPYPGDVEB-UHFFFAOYSA-N 339.399 2.597 0 50 EFAA N=c1[nH][nH]c2ccc(-c3cc4c(s3)C3(CCNCC3)OCC4)cc12 1857717720 VGAHLOUMHRBBEY-UHFFFAOYSA-N 340.452 2.855 0 50 EFAA N[C@@H]1C[C@H](c2nc(-c3ccccc3)nn2Cc2ccccc2)C[C@H]1O 1857723174 XMTKFFRMDNWDEZ-RCCFBDPRSA-N 334.423 2.559 0 50 EFAA CN(C)C(=O)Cc1ccc(N[C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 330890389 HFGGQRMVUXVDPH-QGZVFWFLSA-N 345.487 2.766 0 50 EFAA CO[C@@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)C[C@H]1N 1875248760 MDRAVULVDJQDNQ-KFKAGJAMSA-N 346.471 2.507 0 50 EFAA CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC[C@H]2C(F)(F)F)cc1 408518040 SHPMFURIJBYQFH-ZDUSSCGKSA-N 342.361 2.877 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ncncc2Br)C1 225513056 HBKKQOAAQCSIFE-WCQYABFASA-N 338.180 2.691 0 50 EFAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1 237542617 AFDLRHGJOLCIDA-SMDDNHRTSA-N 328.343 2.937 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 128529044 JBPKTTZIPKVWFA-INIZCTEOSA-N 340.379 2.597 0 50 EFAA CCN(Cc1cccc(Cl)c1)c1ccnc(N2CCOCC2)n1 352391718 OCAYVMKSWBXJLB-UHFFFAOYSA-N 332.835 2.993 0 50 EFAA O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1F 162918911 KOISIYJCZJNKIR-UHFFFAOYSA-N 328.322 2.722 0 50 EFAA CC(C)n1ccc(NS(=O)(=O)c2occc2Br)n1 901920259 AYWJQMYBFOMNDI-UHFFFAOYSA-N 334.195 2.620 0 50 EFAA C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1F)C1CCC(F)CC1 907050010 WTBKJUGUOJQYBL-WHXUTIOJSA-N 347.383 2.719 0 50 EFAA O=C(O)C12CC(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)(C1)C2 909590931 AZUKNRRZOOZOOH-UHFFFAOYSA-N 347.386 2.588 0 50 EFAA CCn1nnc(C)c1CN1Cc2ccccc2OC2(CCOCC2)C1 932041170 UNSXTJXIOROHBZ-UHFFFAOYSA-N 342.443 2.550 0 50 EFAA O[C@H](CNC1CCN(C2CC2)CC1)c1cccc(C(F)(F)F)c1 838940727 KWAGJXDZUHRUQO-MRXNPFEDSA-N 328.378 2.955 0 50 EFAA COc1ccc(-c2n[nH]c(Nc3nc(C)cc(C)n3)n2)cc1OC 1264655 KYTKEFACWPEGMO-UHFFFAOYSA-N 326.360 2.639 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2cccnc2)n2nc(C)nc2N1 18145072 JIPFUFUUCZPYJH-OAHLLOKOSA-N 327.388 2.614 0 50 EFAA O=C(NCCc1ccc(Cl)s1)[C@H]1CC[C@H](C2CCNCC2)O1 2325768332 FSZHGMJQWYDYDC-ZIAGYGMSSA-N 342.892 2.607 0 50 EFAA O=C(NC[C@H]1CCCC2(CC2)C1)c1ccc2c(c1)NS(=O)(=O)C2 2325790390 IPCNTLBAAAWRSC-LBPRGKRZSA-N 334.441 2.642 0 50 EFAA Cc1nc(-c2cccc(NC(=O)CCc3nc4cnccc4[nH]3)c2)n[nH]1 2325853769 AVHRXMAOJISIGJ-UHFFFAOYSA-N 347.382 2.623 0 50 EFAA COc1cc(F)c([C@H](C)NC2=NC[C@@H]3CC[C@H](C)CN23)cc1OC 2325864598 SWPCEXWPTVTHNC-AVGNSLFASA-N 335.423 2.964 0 50 EFAA CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 245344016 WYGCTLZKDDREAU-YESZJQIVSA-N 338.492 2.593 0 50 EFAA COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 53693 GFMUOHMXSGNQTF-IBGZPJMESA-N 329.396 2.956 0 50 EFAA biogenic COC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=S)[nH]c2c1 425241 NCNCSODOZHYXSY-UHFFFAOYSA-N 332.406 2.955 0 50 EFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2 1013308 LBIQSTVDHMEEJC-UHFFFAOYSA-N 338.363 2.904 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(C)c2)cc1 4691049 MQCVEDLFSNNQAW-UHFFFAOYSA-N 333.409 2.892 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 6213802 HZGOOGUMQDSVMS-UHFFFAOYSA-N 333.409 2.993 0 50 EFAA COc1cccc(N2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 6977333 NIIQGNTUHGYRRB-UHFFFAOYSA-N 340.423 2.731 0 50 EFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 8572785 FTGAJDKQXWSSDZ-UHFFFAOYSA-N 325.393 2.962 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1nn(C)c2ccccc12 55383639 NKJDYOUWBXEQFS-UHFFFAOYSA-N 341.415 2.817 0 50 EFAA CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)COc1cccnc1 55211671 PTHZSPDPDISYRZ-UHFFFAOYSA-N 338.411 2.736 0 50 EFAA COc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 170615094 IHLDMDZLPAQTOJ-UHFFFAOYSA-N 346.452 2.515 0 50 EFAA O=C(O)CSc1nnc(CCc2ccccc2)n1-c1cccnc1 65434046 ONACZLLVQHQIFF-UHFFFAOYSA-N 340.408 2.624 0 50 EFAA Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1 10537150 DCXAXZWFGWNFRD-UHFFFAOYSA-N 343.408 2.866 0 50 EFAA CCc1cn[nH]c1C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 67818686 HZOGRKGRJQFQEH-KRWDZBQOSA-N 341.411 2.518 0 50 EFAA Cc1cc(C)c2[nH]c(C(=O)NCCCc3nnc(N)s3)c(C)c2c1 67851573 GPEBDTJMRZQBMQ-UHFFFAOYSA-N 343.456 2.889 0 50 EFAA CCc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20512044 UUXOUKNOHOQUTD-UHFFFAOYSA-N 338.451 2.972 0 50 EFAA COc1cccc2c1OCCCN([C@H](C)C(=O)NC1CCCC1)C2 65426924 CELWDHFEXGZABJ-CQSZACIVSA-N 332.444 2.727 0 50 EFAA COC(=O)CC1CCN(C(=O)c2sc(-n3cccc3)nc2C)CC1 61722013 JQBWGSMRXNUVHB-UHFFFAOYSA-N 347.440 2.658 0 50 EFAA COc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(C)c1C 20451169 VWDFKPMXNPCNOB-IBGZPJMESA-N 334.504 2.837 0 50 EFAA COc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2ccccc2n1 67786184 KIJWZGZTWKYYGW-ZDUSSCGKSA-N 336.395 2.986 0 50 EFAA CN1CC[C@@H](CNc2nccc3cc(C(F)(F)F)ccc23)CC1=O 425269505 SXFRBWHIHMFUCW-LLVKDONJSA-N 337.345 3.534 0 50 EFAA CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)CN2CCCC2=O)o1 229927888 HCPDIXUDOJGBDE-UXLLHSPISA-N 334.460 2.598 0 50 EFAA CN(C)[C@H]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 170861350 PTIBUFKMGKMBJI-AWEZNQCLSA-N 329.366 2.593 0 50 EFAA FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cccc3nccn13)C2 328655390 YHPOZTGCHNVIRT-LBPRGKRZSA-N 349.360 2.902 0 50 EFAA Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 328611105 KLNFJTWQOHZJSE-RDJZCZTQSA-N 331.416 2.675 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCc2ccc(OC)cc2C1 328645153 SANVRHKCYDSOPP-WDSOQIARSA-N 341.455 2.889 0 50 EFAA Cc1ccccc1Cn1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cn1 205172 FXDHGAUQECTXSQ-DLBZAZTESA-N 339.395 2.845 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 124209603 IAIJFJRGOCBNGB-JGVFFNPUSA-N 338.335 2.539 0 50 EFAA Cc1oc(-c2cccs2)nc1CN[C@@H]1CCC(=O)N[C@H]1C1CC1 367446181 CDEYTFIHHVZDAC-WBMJQRKESA-N 331.441 2.858 0 50 EFAA c1ccc([C@@H](Nc2ccc(N3CCOCC3)cn2)c2ncc[nH]2)cc1 128428106 WCRNMRDZZGFAKY-GOSISDBHSA-N 335.411 2.843 0 50 EFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cnc(C)nc1)C2 333866600 RCRVLUZMQNEEBV-UHFFFAOYSA-N 342.399 2.999 0 50 EFAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C3CCOCC3)C2)o1 39485127 ZLWIOKVROLCVPM-INIZCTEOSA-N 334.460 2.875 0 50 EFAA CN(Cc1ccc2c(c1)OCCO2)C[C@H]1Cc2ccccc2CN1C 72134757 FJENJTZFFVLJQT-LJQANCHMSA-N 338.451 2.946 0 50 EFAA CC(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccccc21 372893286 VNKWGCYGARGYGP-INIZCTEOSA-N 338.363 2.613 0 50 EFAA O=C(O)c1ccc(CCC(=O)N2CCOC[C@@H]2c2ccccc2)cc1 262470152 ZTIYGFNOSTZARL-GOSISDBHSA-N 339.391 2.918 0 50 EFAA C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCc2ccccc2OC1 375712772 UUXROQWYPOEMSB-DOTOQJQBSA-N 345.464 2.832 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 77374941 HUPSJBDTFGKSLP-ZDUSSCGKSA-N 346.456 2.504 0 50 EFAA Cc1ocnc1C(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 77440073 CKQLVOLISJNTID-QGZVFWFLSA-N 328.412 2.829 0 50 EFAA C[C@H](NC(=O)CCS(C)(=O)=O)C(c1ccccc1)c1ccccc1 75561499 QGZHYNWWUGZFFY-HNNXBMFYSA-N 345.464 2.758 0 50 EFAA CC(C)n1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)n1 240551541 GUNLPXDGFFSTGY-INIZCTEOSA-N 341.390 2.856 0 50 EFAA C[C@H]1C[C@@H](C)C[C@H](C(=O)NS(=O)(=O)CCCC(F)(F)F)C1 240757075 HWCZJXPXGKDPPY-URLYPYJESA-N 329.384 2.847 0 50 EFAA CN1CC[C@@H](CNC(=O)c2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 242273812 YFZDHXWTVBHDHC-XHDPSFHLSA-N 336.798 2.625 0 50 EFAA O=C(c1cc(F)c(Cl)cc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286354816 PFQAGZBKNFCIAC-TZTCFGBESA-N 345.773 2.620 0 50 EFAA Cc1ccc(NC[C@H]2CCN([C@H](C)C(=O)Nc3nccs3)C2)nc1 225218475 NQDMLTKVSSMFJP-ZIAGYGMSSA-N 345.472 2.608 0 50 EFAA C[C@H](c1ccccc1)N(C)C(=O)CN1CCO[C@@H](c2nccs2)C1 222210416 AKNUIMLUTFBHBT-GDBMZVCRSA-N 345.468 2.736 0 50 EFAA COc1cccc(OCC(=O)NC[C@@H]2CCN(C3CCCCC3)C2)c1 223821602 JLHIFIQZHHSCSN-INIZCTEOSA-N 346.471 2.845 0 50 EFAA COCC[C@]1(O)CCN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C 91550494 FCBSRLVAFKXTNM-DNVCBOLYSA-N 337.435 2.784 0 50 EFAA CCCn1nc(C)c(NC(=O)NCCSc2nccn2C)c1C 97785425 DCPDWLPYRMFEPW-UHFFFAOYSA-N 336.465 2.557 0 50 EFAA Cc1ccccc1CSCC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 91755315 ZRERPVZATXPOAX-IBGZPJMESA-N 346.496 2.699 0 50 EFAA COC[C@]1(O)CCN(Cc2cc3cc(F)ccc3n2C)CC1(C)C 92003173 NTMKWQVTXCBKOT-LJQANCHMSA-N 334.435 2.927 0 50 EFAA CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC 26401317 WAOQONBSWFLFPE-SECBINFHSA-N 347.242 2.922 0 50 EFAA biogenic,in-vitro CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2cccc(F)c2)CC1 95507219 VKQNTCZPEJQCCC-KRWDZBQOSA-N 336.407 2.578 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 91643970 UGATXBINOWWIRX-MRXNPFEDSA-N 345.418 2.617 0 50 EFAA NC(=O)c1ccc(NC(=O)CCN2CC[C@H]2c2ccc(F)cc2)cc1 244873589 WSOPNPRAOFHVLW-KRWDZBQOSA-N 341.386 2.700 0 50 EFAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1nnn[nH]1 263588175 QBGLQSNKJAFAGQ-MRXNPFEDSA-N 332.367 2.773 0 50 EFAA COc1ccc(NC2(C(=O)NCc3cccnc3N)CCCC2)cc1 534673884 YGPPPAAKTJXIRD-UHFFFAOYSA-N 340.427 2.714 0 50 EFAA O=C(Nc1cccc(Oc2ccccc2)c1)N1C[C@@H](CO)[C@H](CO)C1 299788035 VRQONQJGODNRHX-GJZGRUSLSA-N 342.395 2.543 0 50 EFAA COc1ccc(Cc2nc([C@@H]3CCOC3)n(-c3ccncc3)n2)cc1 584885580 ADDCFVVASKOORA-OAHLLOKOSA-N 336.395 2.766 0 50 EFAA COc1ccnc(C(=O)N[C@H](C)Cc2nc(-c3ccccc3)no2)c1 1875253941 PARCEEJXVNTWRW-GFCCVEGCSA-N 338.367 2.501 0 50 EFAA O=C(NCC[C@H]1CCOc2ccccc21)c1ccc2c(c1)CNC2=O 1875296498 ZQPIOMUXLJKVTF-ZDUSSCGKSA-N 336.391 2.616 0 50 EFAA COc1cc(Cl)c(-c2nnc([C@@]3(OC)CCOC3)o2)cc1OC 886085321 DDIURJRSPVVTAB-OAHLLOKOSA-N 340.763 2.669 0 50 EFAA CCOc1cc(C)ccc1CNC(=O)N[C@@H]1CCOC12CCOCC2 893604811 HMWIAXNQQJAMCM-QGZVFWFLSA-N 348.443 2.531 0 50 EFAA CC(C)(C)c1coc(CNC(=O)NCc2cn3ccccc3n2)n1 891562639 PRMCXWMGYZTQJZ-UHFFFAOYSA-N 327.388 2.619 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C=C2CCCCC2)C1 1775958932 HEAZKPKTVQLSSF-KGLIPLIRSA-N 332.366 2.935 0 50 EFAA Fc1cccc([C@H]2CN(Cc3nnc(C(F)(F)F)o3)CCO2)c1 1775985748 BBOQJEAVYPZZPW-LLVKDONJSA-N 331.269 2.801 0 50 EFAA C[C@H](c1nnnn1-c1ccccc1)N1CC[C@]2(C1)OCc1ccccc12 186600797 GUPMRMQAOBFRFR-FOIQADDNSA-N 347.422 2.855 0 50 EFAA OC1(c2ccccc2Cl)CCN(Cc2cnc3cnccn23)CC1 278118208 ARVJTEDKOCCFNF-UHFFFAOYSA-N 342.830 2.866 0 50 EFAA Cc1cc[nH]c1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 280870286 ZXRXUJSNIBSYSH-MRXNPFEDSA-N 347.846 2.780 0 50 EFAA C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1COc2ccccc21 305326067 MEERTRYWJWLHRJ-SJIKZXFPSA-N 338.407 2.509 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCCc1nc2ccc(F)cc2n1C 408474578 FWGGFKJOSPANDV-RDTXWAMCSA-N 347.434 2.822 0 50 EFAA CCc1ccc2occ(C(=O)NCCNc3cc(C)nn3C)c2c1 408517866 XUWSTLLHUGUNAI-UHFFFAOYSA-N 326.400 2.879 0 50 EFAA Cc1c(C(=O)N(C)c2ccc(Cl)cn2)sc2ncn(C)c(=O)c12 225403797 QSOWGJFWTMZUTC-UHFFFAOYSA-N 348.815 2.628 0 50 EFAA O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCCO1 225710037 MKHGUATZCJQLDF-NEPJUHHUSA-N 326.190 2.568 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 189618663 PDPWBVWJYPMFON-GFCCVEGCSA-N 339.395 2.930 0 50 EFAA O=C(c1ccc2[nH]nnc2c1)N(Cc1cccs1)C[C@H]1CCCO1 192927472 VNAAXBPFEAMJAE-CYBMUJFWSA-N 342.424 2.841 0 50 EFAA O=C(NCCc1ccc(Br)s1)NC1CCOCC1 193452850 HNFDZJVGENSDPX-UHFFFAOYSA-N 333.251 2.531 0 50 EFAA CCOC(=O)[C@@H](NC(=O)c1ccncc1F)c1ccc(Cl)cc1 193872048 SOWIPELEEUDUFD-AWEZNQCLSA-N 336.750 2.908 0 50 EFAA CC(=O)c1cc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)ccc1C 194370209 DMQZAGLZYFJIDG-MAUKXSAKSA-N 333.453 2.982 0 50 EFAA FC(F)(F)c1cc(N[C@@H]2CCCN3CCCC[C@H]23)n2ncnc2n1 656225117 DJEBNCPEVLTKIZ-GHMZBOCLSA-N 340.353 2.572 0 50 EFAA Cc1cc([C@H](NC(=O)c2ccc3c(c2)CCOC3)C(=O)O)ccc1F 659158131 WMDLEUNGZXMDDK-KRWDZBQOSA-N 343.354 2.763 0 50 EFAA CCN(C(=O)c1cn([C@@H]2CCCNCC2)nn1)[C@H]1CCCC[C@H]1C 662788606 MWGPMPVHEJKWBT-INMHGKMJSA-N 333.480 2.634 0 50 EFAA COc1ncc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cn1 768554380 PUHVINMJAPHYJD-GOSISDBHSA-N 349.390 2.616 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(C)cc1Br 380083 LFTJRJVJRDMNGP-NSHDSACASA-N 348.262 2.523 0 50 EFAA COc1cc(C)c(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1C 1529125936 ARPPJHCEDNVCSA-QUCCMNQESA-N 346.471 2.683 0 50 EFAA CN(CCN(C)C1CCCC1)c1nc2cc(C(=O)O)ccc2n1C 1529160020 ZMWAXAKEARSHEB-UHFFFAOYSA-N 330.432 2.582 0 50 EFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 472642 KZCZMYRGJZYWLF-QHHAFSJGSA-N 325.320 2.838 0 50 EFAA Cc1ccc(C)c(OCCCN(C)Cc2cnc(C(=O)O)cn2)c1 1772704447 GIGIZFGHBXZTEW-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA O=C(Cc1ccsc1)N1CCCN(C[C@H](O)c2ccccc2)CC1 1772818303 CVUGXPKCXFOGGL-SFHVURJKSA-N 344.480 2.559 0 50 EFAA COc1ccc(CN(C)C[C@H]2CCC(=O)N(C)C2)c2cccnc12 1772815373 JVPRGDRQPZLGMA-CQSZACIVSA-N 327.428 2.544 0 50 EFAA Cc1ccc(CN2CC(=O)N(C3CCCCC3)C[C@@H](O)C2)c(C)c1 14531154 KPIQPIMXTSKAQX-IBGZPJMESA-N 330.472 2.641 0 50 EFAA CC[C@H]1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1OC 16577962 DIJRSLIHPXPBGW-ZDUSSCGKSA-N 327.446 2.965 0 50 EFAA Cn1cc([C@H]2OCC[C@@H]2CNC(=O)c2cccc(Cl)c2F)cn1 1857530080 JMZUZXZZGMLRPB-BMIGLBTASA-N 337.782 2.720 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(c1nc3ccc(Cl)cc3s1)C2 1857669594 JMLVRFWRWYDSMU-BJOHPYRUSA-N 338.816 2.877 0 50 EFAA O=C(c1cccc2c1OCCO2)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225678229 VJSMLTUUCAIHAU-GDBMZVCRSA-N 343.354 2.545 0 50 EFAA Cc1c[nH]cc(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c1=O 416255527 IMAWJAVCBRYNGF-CQSZACIVSA-N 332.350 2.809 0 50 EFAA O=C(NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1)[C@@H]1CC=CCC1 11909274 RTMPHTGKRMGRPH-RHSMWYFYSA-N 335.407 2.920 0 50 EFAA Cc1cccc(OCC(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1 391794460 HSAAJDVFHJSBTO-CQSZACIVSA-N 325.364 2.979 0 50 EFAA O=C(O)C[C@@H]1CCCN1Cc1c(Cl)cccc1N1CCOCC1 902010233 UBFNGFYJGIBDDB-ZDUSSCGKSA-N 338.835 2.616 0 50 EFAA C[C@]1(CNC(=O)c2nnc(-c3ccns3)o2)CCOC2(CCC2)C1 902967721 NECLIVDFKZDGKB-HNNXBMFYSA-N 348.428 2.662 0 50 EFAA Cc1[nH]nc2c1N(C(=O)Nc1ccc(Cn3ccnc3)cc1)CCC2 2325769533 SLMUGHQWMNKWCY-UHFFFAOYSA-N 336.399 2.948 0 50 EFAA Cc1ccc([C@@](C)(CO)NC(=O)Cc2ccc(C(=O)O)cc2)cc1C 2325788430 FXNMWFHYOPGGDL-HXUWFJFHSA-N 341.407 2.568 0 50 EFAA CCOc1ccccc1C(F)(F)C(=O)NC1CCC(C)(N)CC1 2325795155 KNJPVNGOIXTGPH-UHFFFAOYSA-N 326.387 2.953 0 50 EFAA C[C@@H]1CC[C@H](CN)CN1C(=O)CCc1c(Cl)cncc1Cl 2325797587 HFPYDDGHZKDVPY-GHMZBOCLSA-N 330.259 2.907 0 50 EFAA C[C@@H](Cc1ccccc1Cl)C(=O)N1CC(O)(c2cccnc2)C1 2325802593 PGUJDWHWVGZZJX-ZDUSSCGKSA-N 330.815 2.644 0 50 EFAA Cc1cc(=NCc2nc3ccc(F)c(F)c3[nH]2)[nH]c(CC2CC2)n1 2325857673 LBQDZJAKLGVVEO-UHFFFAOYSA-N 329.354 2.926 0 50 EFAA Cc1cc(NC(=O)CCC(=O)O)ccc1NC(=O)Cc1ccccc1 470428 BVACOBPBPBPIRD-UHFFFAOYSA-N 340.379 2.980 0 50 EFAA COc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 310028 JEWCPESWMYBNDU-UHFFFAOYSA-N 338.363 2.710 0 50 EFAA O=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2 313222 VPQJHSQARBCDPM-UHFFFAOYSA-N 336.428 2.956 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2)cc1 379896 ZNEWDJGIXQZXOY-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA O=C(Nc1cccnc1)[C@H]1CC(c2cccc(Br)c2)=NO1 614583 PYXJBANDJXGNIF-CQSZACIVSA-N 346.184 2.976 0 50 EFAA COC(=O)CCCN1CCC2(CC1)OCCc1cccc(OC)c12 2356145012 XDIZAACEWAGSKD-UHFFFAOYSA-N 333.428 2.512 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 2745498 SSXAAUWZUUFPPS-UHFFFAOYSA-N 332.425 2.556 0 50 EFAA CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C(=O)O)C1 6742448 ZHHDDMVPWMBRGE-KGLIPLIRSA-N 331.368 2.844 0 50 EFAA Cc1ccc(F)c(NC(=O)CCC(=O)N(C)[C@H](C)c2ccncn2)c1 55242822 ISWMGYHBHUWXBH-CYBMUJFWSA-N 344.390 2.862 0 50 EFAA Cc1c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cnn1CC(C)C 344730588 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CC[C@H](C)n1ncc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1C 331593447 KWKFYGSDPHTINR-XHDPSFHLSA-N 346.456 2.537 0 50 EFAA COCc1c(C(=O)N2CC(CC(F)F)C2)cnn1-c1ccccc1 425075025 JXNFHKXVARJPRG-UHFFFAOYSA-N 335.354 2.746 0 50 EFAA Cc1ccc(CNC(=O)CCN2CC[C@@H](n3nc(C)cc3C)C2)cc1 65393589 VZQADQMIWPRKTE-LJQANCHMSA-N 340.471 2.762 0 50 EFAA CCN(CCNC(=O)c1cnc([C@H](C)O)s1)c1ccccc1C 252510170 ZCVLFLHPQUJKRC-ZDUSSCGKSA-N 333.457 2.761 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(c1)nnn2C)c1ccccc1-n1cccn1 67981689 FFAILPIMFWFGAY-CYBMUJFWSA-N 346.394 2.645 0 50 EFAA O=C(NCc1sc2ccccc2c1Cl)c1cc2n(n1)CCNC2 65398909 PATUERJANDWJJB-UHFFFAOYSA-N 346.843 2.784 0 50 EFAA CCN(CC)Cc1cnc2c(C(=O)N3Cc4ccccc4C3)cnn2c1 67788968 YSAPGXACVGFQBZ-UHFFFAOYSA-N 349.438 2.727 0 50 EFAA O=C(c1ccnn1COc1ccc(Cl)cc1)N1CCSCC1 2799568 WQMWWOPQMJFQKP-UHFFFAOYSA-N 337.832 2.762 0 50 EFAA C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H]1Cn1cncn1 257365670 FQTKUENQMGHSSJ-NEPJUHHUSA-N 330.417 2.615 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1-n1cccn1 124178936 RMFMPCXLNGIVDP-HNNXBMFYSA-N 340.427 2.879 0 50 EFAA Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@](O)(CO)C3)o2)cc1 72152669 QOJWVECABZQGKZ-HXUWFJFHSA-N 343.423 2.533 0 50 EFAA CC[C@H]1CN(c2nc(C3CCCCC3)ns2)C[C@@H](C)S1(=O)=O 333764841 DGNODZROSLPYMW-YPMHNXCESA-N 343.518 2.988 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3cccc(F)c3F)C2)nn1 284929622 DAQCQISHZPUBEG-QGZVFWFLSA-N 336.386 2.621 0 50 EFAA O=S(=O)(Cc1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 333761434 PIHMYYIRMJZCLA-UHFFFAOYSA-N 345.468 2.857 0 50 EFAA CCn1nc(CN2CCC[C@H]2Cn2nc(C)nc2C)c2ccccc21 372212892 VDMMKHLBNWHXSJ-INIZCTEOSA-N 338.459 2.929 0 50 EFAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(-c2ccccn2)c1C 285080362 SAHBHHLIYBYVQM-HOTGVXAUSA-N 340.423 2.933 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(-c2ccccn2)no1 262333596 FGAWXVFEUSXAMT-GLQYFDAESA-N 341.367 2.595 0 50 EFAA CCc1csc(CNc2nccc(-c3cc(C(=O)O)ccn3)n2)n1 77440228 BOGRUAJBZGRAQA-UHFFFAOYSA-N 341.396 2.868 0 50 EFAA CCn1ccnc1-c1nccn1-c1ccccc1CN1CCOCC1 71715106 OSGBOFVWBNSRDS-UHFFFAOYSA-N 337.427 2.588 0 50 EFAA CCN1CC2(CCN(Cc3c(OC)ccc(F)c3F)CC2)OC1=O 72422715 NWMGCMLMXDNYLQ-UHFFFAOYSA-N 340.370 2.780 0 50 EFAA COC[C@@H]1CN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)CC(C)(C)O1 285500874 NBXDIBPLDBIFFE-ZDUSSCGKSA-N 334.391 2.881 0 50 EFAA CCc1n[nH]cc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72424640 ZNVRGKXUXFKYTC-UHFFFAOYSA-N 342.487 2.699 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)NC1(C(=O)O)CCC1 263138663 IYLUPEISXNIWSK-UHFFFAOYSA-N 333.771 2.996 0 50 EFAA CCCn1nccc1NC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 454337092 ZXDOCQHLSHNBNI-GFCCVEGCSA-N 347.385 2.641 0 50 EFAA Cc1cc(CC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)on1 72424080 BUFIWKBPWXGLPN-UHFFFAOYSA-N 342.374 2.947 0 50 EFAA CCOC(=O)c1c(NC(=O)[C@H](C)n2cncn2)sc2ccccc12 241383358 MUQYOCLXCZRMTI-JTQLQIEISA-N 344.396 2.869 0 50 EFAA CC1(C)CCN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)c2ccccc21 288327590 VGKRWIJVRNNUAN-UHFFFAOYSA-N 334.397 2.590 0 50 EFAA COC(=O)CN(C(=O)c1cc2c(s1)CCOC2)c1cccc(F)c1 176964270 GNUXIUSDORVONV-UHFFFAOYSA-N 349.383 2.780 0 50 EFAA COCc1nc(NCC2(N(C)C)CCCCC2)cc(C2CC(N)C2)n1 222430236 WYKQTJQKXHEYSS-UHFFFAOYSA-N 347.507 2.504 0 50 EFAA CC[C@@H](O)c1cc2n(n1)CCCN(c1ncnc3sccc13)C2 222979436 IBZLFIVWNTVTGY-CQSZACIVSA-N 329.429 2.742 0 50 EFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCn1cccc1 84456764 QIIPLVYVCFYIJQ-LJQANCHMSA-N 340.471 2.652 0 50 EFAA Cc1ncsc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223556137 GTGPJAZQXHTKHU-CABCVRRESA-N 332.425 2.556 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1 426548736 GOPDHSCMNMVCRI-MRXNPFEDSA-N 339.395 2.514 0 50 EFAA c1cn(CC2CCC2)c([C@H]2CCCN(c3ncnc4[nH]cnc34)C2)n1 95371511 KEQQVJJDYLNTFR-AWEZNQCLSA-N 337.431 2.734 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccccc2)no1 294292545 VQPJSOQBWHCKEY-KFWWJZLASA-N 327.384 2.954 0 50 EFAA Cc1ccc2c(c1)c(CNC(=O)c1cc(-c3cccn3C)n[nH]1)nn2C 91518812 LXBLSUWRQYKDIX-UHFFFAOYSA-N 348.410 2.540 0 50 EFAA COCCOC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2 92107329 XLNOGTMFGKDSEW-SFHVURJKSA-N 346.471 2.971 0 50 EFAA COCCOc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 268953203 UZVNXBHFVDQNTB-COXVUDFISA-N 347.411 2.570 0 50 EFAA O=C1NC[C@@H](NCCc2ccccc2)n2nc(-c3cccs3)cc21 263617487 NZXJOTSWBNHQEK-KRWDZBQOSA-N 338.436 2.686 0 50 EFAA Cc1ccccc1CC1(NC(=O)CC[C@H](C)N2CCN(C)CC2)CC1 299788785 XJOPYLOYORNBAZ-SFHVURJKSA-N 343.515 2.602 0 50 EFAA Cc1ccc2c(c1)C[C@@H](C(=O)NCC1CCN(CC(C)C)CC1)N2 299768447 NTZCBFJNXXGIRT-IBGZPJMESA-N 329.488 2.816 0 50 EFAA CCc1nc(-c2cccc(-n3nc(C)cc3C)c2)n(CCCO)n1 584900038 VKDLHOQXUGUQJH-UHFFFAOYSA-N 325.416 2.692 0 50 EFAA Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CCCC2)c(C)s1 670436514 GPHDICFHGMPLEM-CQSZACIVSA-N 330.519 2.764 0 50 EFAA COCc1noc(CN2CCC(Oc3ccc(Cl)cc3)CC2)n1 670462215 LTWNSWJMQBMVOT-UHFFFAOYSA-N 337.807 2.913 0 50 EFAA C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C3CC3)c2)CS1(=O)=O 685940238 YPSKMSCVCWERKG-ZWNOBZJWSA-N 340.420 2.790 0 50 EFAA CCCCNc1nc(CC(=O)N2CC[C@H](CCCO)C2)cs1 1299302555 QUQGFBHUIFHIHG-ZDUSSCGKSA-N 325.478 2.519 0 50 EFAA NCc1ccc(-c2noc(C[C@H]3CC(=O)Nc4ccccc43)n2)cc1 1875340702 NTMLSHYHHJZSPN-CQSZACIVSA-N 334.379 2.864 0 50 EFAA CN[C@H]1CC[C@@H](n2cc(CCCOc3cccnc3F)nn2)CC1 1875291908 PMZNRLJWTFPVRP-OTVXOJSOSA-N 333.411 2.527 0 50 EFAA COc1ccc(CN(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c(F)c1 952870357 XVUGNZUBDZMRFH-INIZCTEOSA-N 343.402 2.510 0 50 EFAA Cc1c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)oc2ccc(F)cc12 887027820 XXCNMNKCYYPLCE-HUUCEWRRSA-N 333.359 2.540 0 50 EFAA CN1CCC2(CCN(Cc3cn(C)nc3C3CCCC3)CC2)C1=O 894066835 FTDWITWOUUSWIE-UHFFFAOYSA-N 330.476 2.522 0 50 EFAA O=C(N1CC=C(c2c[nH]c3ncccc23)CC1)[C@@]12CCCN(CC1)C2 895559999 AECWWENYWRTCHJ-FQEVSTJZSA-N 336.439 2.665 0 50 EFAA COCc1csc(NC(=O)NCc2c(C)nc3ccccn23)n1 1351387024 FRMFPLQQUXHLPB-UHFFFAOYSA-N 331.401 2.567 0 50 EFAA Cn1cc([C@@]2(CNC(=O)c3ccccc3C(F)F)CCCO2)cn1 1439905557 RRHNRRMWHWHSAL-KRWDZBQOSA-N 335.354 2.793 0 50 EFAA COc1ccc2c(c1)C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)CC2 275521307 LETKUTCKLISVSA-RIFZZMRRSA-N 341.455 2.653 0 50 EFAA COC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C[C@H](C)O1 187320772 LXCUVAOUGKNHDM-SUHUHFCYSA-N 326.462 2.871 0 50 EFAA Cc1cc(CNC(=O)N2CCNC(=O)[C@H]2C)ccc1-c1ccccc1 188065477 IAJZHRJGAXZONX-OAHLLOKOSA-N 337.423 2.692 0 50 EFAA Cc1cc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c2cnn(C)c2n1 408223130 SPJVBMIOVDNLKK-BLVKFPJESA-N 344.459 2.584 0 50 EFAA CC(C)Oc1cc(N2C(=O)N[C@H](Cc3ccccc3)C2=O)ccn1 672108958 KGJPEKJZBJJSBX-OAHLLOKOSA-N 325.368 2.536 0 50 EFAA C[C@H](Sc1ncnc2[nH]cnc12)c1nnnn1C1CCCCC1 189029441 NALRTGQXSSWXOQ-VIFPVBQESA-N 330.421 2.698 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225678633 MKOPFUZAFISAKB-CABCVRRESA-N 330.359 2.948 0 50 EFAA CCc1cnccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190657645 CVLDKLQROHPKDZ-KRWDZBQOSA-N 338.455 2.633 0 50 EFAA CCn1nc(C)cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 650862003 DUWNPRNHUAFUEJ-IBGZPJMESA-N 326.444 2.606 0 50 EFAA CC[C@@H](NC(=O)C[S@@](=O)C1CCOCC1)c1ccc(Cl)cc1 194622663 CNURCGHVJDVMAZ-IVZQSRNASA-N 343.876 2.835 0 50 EFAA Cc1csc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1 656643712 JHIWTFZUBVNSCH-LBPRGKRZSA-N 337.422 2.824 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1cncc(Br)c1 664509283 UTSURUIFUMEZNB-GXFFZTMASA-N 337.221 2.767 0 50 EFAA CCc1nc(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)sc1C 666222045 DDDWJACSJDIUTN-CYBMUJFWSA-N 344.440 2.723 0 50 EFAA CN(C)[C@H](C(=O)Nc1c2c(nn1C)CSC2)c1ccc(F)cc1 1529173680 PCMBUOFRVSSRDG-AWEZNQCLSA-N 334.420 2.547 0 50 EFAA CN(CC[C@H](O)c1ccccc1)c1ncccc1C(=O)N1CCCC1 1529098371 BVQUNAYTQSCHQL-SFHVURJKSA-N 339.439 2.878 0 50 EFAA Cc1cc(C)c(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1C 1704337451 ZPHWLVFSZOFFCN-UYAOXDASSA-N 330.472 2.531 0 50 EFAA Cc1nsnc1C(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 1775977948 KUBRSJFDTGWMOZ-INIZCTEOSA-N 345.468 2.692 0 50 EFAA COc1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)ccc1F 1775983966 WWUSQZUYKBXRSE-GOSISDBHSA-N 329.375 2.678 0 50 EFAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1F 20522579 CEYAPQLGENDLEL-UHFFFAOYSA-N 345.393 2.721 0 50 EFAA COc1cccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)c1 11690129 GGDKZUIQDAGSBQ-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA CCCSc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 11692733 YSUWQKYJWBIXLI-NSHDSACASA-N 337.426 2.819 0 50 EFAA CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 12403810 INJPEKRSUUKNGB-HZPDHXFCSA-N 346.427 2.998 0 50 EFAA O=C(NC[C@H]1CCCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1 12437526 XLTZXPVUVMFQHD-CQSZACIVSA-N 332.419 2.984 0 50 EFAA O=C(C1CCCC1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 15065072 CSRZTWXLAZSPSV-FQEVSTJZSA-N 341.455 2.613 0 50 EFAA C[C@@H]1CN2C[C@H](NC(=O)c3cccc(Cl)c3Cl)C[C@H]2CO1 1875247403 LIUUJJZKJNCQEB-MXWKQRLJSA-N 329.227 2.585 0 50 EFAA CCC(CC)n1ncc(C(=O)NCc2noc(C(F)(F)F)n2)c1C 408515204 FNFJZKZMAGQUQW-UHFFFAOYSA-N 345.325 2.884 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)C(C)(C)c1cccnc1)CC2 332598600 MRCGEPLHCYYJDG-UHFFFAOYSA-N 340.423 2.961 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 238077708 PBYZFJCHRZCGTC-JTQLQIEISA-N 333.775 2.667 0 50 EFAA COC[C@@H]1CN(C(=O)Cc2c(Cl)cccc2OC)CC(C)(C)O1 343725944 PQTBVNSSTOEDHW-LBPRGKRZSA-N 341.835 2.544 0 50 EFAA NC(=O)N[C@H]1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)C1 1875281425 AFKBBCJTECBVQV-INIZCTEOSA-N 336.395 2.737 0 50 EFAA O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1C[C@@H](F)C[C@H]1CO 347407319 GWONVIGDROWMAP-HOTGVXAUSA-N 334.778 2.947 0 50 EFAA COc1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1 252504869 VNQCIUWZCURPBS-UHFFFAOYSA-N 329.381 2.786 0 50 EFAA O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC2(CCOC2=O)CC1 372452419 ZZJHNQCRHZDPDO-INIZCTEOSA-N 346.402 2.942 0 50 EFAA Cc1c(C(=O)NC[C@H](C(=O)O)c2ccccc2)cnn1C(C)(C)C 262262039 YYPLRABRSXYLEY-HNNXBMFYSA-N 329.400 2.545 0 50 EFAA CCc1ncc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)cn1 901907625 PXBHWAWCMFAZSI-UHFFFAOYSA-N 339.392 2.766 0 50 EFAA CCc1nc(CNC(=O)c2cc(Br)cc(OC)c2)co1 821818287 DDQCWCMGHBNRHD-UHFFFAOYSA-N 339.189 2.938 0 50 EFAA Cn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1cccc2c1ccn2C 928996258 QNOFVNOQDZZHNS-NVXWUHKLSA-N 338.411 2.562 0 50 EFAA C[C@@H](NC(=O)N=c1nc[nH]n1C)c1cc(Cl)cc(Cl)c1F 930511094 XYTBQIAGIVXPBU-ZCFIWIBFSA-N 332.166 2.566 0 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EFAA COC(=O)c1ccc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 1164027 WUTMJZWAXZUGFF-UHFFFAOYSA-N 343.335 2.659 0 50 EFAA Cc1cc(OCC(=O)NCc2ccccn2)ccc1Br 2949750 OAUDRUKKFOCYIG-UHFFFAOYSA-N 335.201 2.848 0 50 EFAA COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 4838553 ONERQUCIWKNSIE-UHFFFAOYSA-N 348.786 2.612 0 50 EFAA CC(C)(CN1CCCC1)CN1CCC(n2cc(C3CC3)nn2)CC1 55307369 VDWCNRICRJHIEG-UHFFFAOYSA-N 331.508 2.914 0 50 EFAA CCCCN(CCCCO)[C@H](C(=O)O)c1cc(F)ccc1OC 55060623 RCKYDWYFJXNZTR-INIZCTEOSA-N 327.396 2.835 0 50 EFAA Cc1cc(N2CCC(c3nnn[nH]3)CC2)nc2cc3c(cc12)CCC3 55100480 AOTIQSVQZYGLLL-UHFFFAOYSA-N 334.427 2.929 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1Nc2ccc(Br)cc2C(=O)N1C 135079878 LGPIKHYBFUOIPK-AWEZNQCLSA-N 349.232 2.996 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H]2[C@H](CCCN2C)C1 137229359 QLZNKUFYDHZEFR-KYJSFNMBSA-N 333.451 2.882 0 50 EFAA CC[C@H](COc1ccccc1)NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 110648352 AVXBVJRVLRKUNU-JVNHZCFISA-N 330.428 2.663 0 50 EFAA Cc1cc(NC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccccc2)no1 229351705 DMIJNRITGHZXIP-JKSUJKDBSA-N 329.400 2.510 0 50 EFAA CC[C@@H](Cc1ccccc1C)C(=O)NCCn1cnnc1C1CC1 424684137 RGIRPHNOAUOJCY-HNNXBMFYSA-N 326.444 2.849 0 50 EFAA CCSCCC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 229931779 CXTBOWWWKVXPCJ-UONOGXRCSA-N 342.530 2.769 0 50 EFAA COc1ccc(CNC[C@H](O)COc2cccc(C)c2)cc1OC 68049440 ZYIFWAXAQFMLBC-INIZCTEOSA-N 331.412 2.542 0 50 EFAA CN1CCCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1 282851934 SCBHLQHQWPLUER-UHFFFAOYSA-N 340.427 2.830 0 50 EFAA Cc1csc([C@H](NC(=O)N2CCC[C@H]2c2nncn2C)C2CC2)n1 152215686 NWESDJSLWVRQJR-QWHCGFSZSA-N 346.460 2.578 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)o1 328610870 JKJUYNAGBRPZMZ-HNNXBMFYSA-N 347.390 2.865 0 50 EFAA O=C(C[C@H]1CCNC1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215274531 VMHFAHXLDSSHLB-GFCCVEGCSA-N 344.846 2.614 0 50 EFAA CN1C(=O)C2(CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c2ccccc21 72164806 QPDAFDKZWNEVLS-OWCLPIDISA-N 336.435 2.735 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1 215507579 DYTGFORZQBRFSN-KRWDZBQOSA-N 346.500 2.701 0 50 EFAA Cc1ccnn1CC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 77505411 ASHDXFKAYYACPE-HNNXBMFYSA-N 331.391 2.648 0 50 EFAA O=C(O)c1ccccc1CCC(=O)N1CCOC[C@@H]1c1ccccc1 262088337 GFWBVQHSQYHLBV-GOSISDBHSA-N 339.391 2.918 0 50 EFAA COC1CCC(N(C)C(=O)c2cc(C)c(OCC(=O)O)c(C)c2)CC1 262252346 ZNJHCZWFMFJIAX-UHFFFAOYSA-N 349.427 2.796 0 50 EFAA COCCN(C)c1ccc(CNc2c[nH]nc2-c2nccs2)cn1 447061034 QTWQQPWCSMHXJL-UHFFFAOYSA-N 344.444 2.623 0 50 EFAA C[C@H]1CC(=O)c2cc(C(=O)NCc3ccccc3Cl)c(=O)[nH]c2C1 71754876 ZDOVAUHVOJOXEZ-SNVBAGLBSA-N 344.798 2.723 0 50 EFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1C(=O)O 237340223 PBZPLYUUDXXZLP-GXFFZTMASA-N 329.318 2.960 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 374938517 WSOHUNNRXWRPDF-UHFFFAOYSA-N 347.478 2.624 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1OC1CCCC1 262722488 WJGWCPTZVYQOHR-AWEZNQCLSA-N 333.384 2.706 0 50 EFAA CCCc1cc(C(=O)NCCc2nc3c(s2)CCCC3)n(C)n1 77538013 GORGONFLNCFGMJ-UHFFFAOYSA-N 332.473 2.680 0 50 EFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2)C1 379254179 DKZOWRQAMGTLOC-CMPLNLGQSA-N 336.741 2.599 0 50 EFAA O=C([C@H]1CC12CCNCC2)N1CCC(Oc2ccc(F)cc2)CC1 77423146 ZFPRTPCZAKVWGR-QGZVFWFLSA-N 332.419 2.585 0 50 EFAA CCN1CC[C@H](NC(=O)[C@H](C)OC)[C@@H]1c1ccc(Cl)c(F)c1 242087979 WASWTEQWLZTNJK-LKTVYLICSA-N 328.815 2.766 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)N[C@H](C)c3ccncc3F)C2)n1 242389401 ZWYHJNFHERKSNT-PWSUYJOCSA-N 333.367 2.562 0 50 EFAA O=C(N[C@H]1CCCOCC1)N1CCC[C@H]1COc1ccc(F)cc1 338667274 DAKYQKFMBXERQY-HOTGVXAUSA-N 336.407 2.948 0 50 EFAA OC[C@@]1(c2ccccc2)CCN(Cc2nnc(-c3ccccc3)o2)C1 291395640 BMPZFIXTYAHJGP-HXUWFJFHSA-N 335.407 2.873 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)C(=O)NCCn2cccn2)C12CCCCC2 178697829 WIQOMKVKQWLVCB-HZPDHXFCSA-N 334.464 2.652 0 50 EFAA O=C(NCc1cn2ccccc2n1)N1CCC(Cc2cccnc2)CC1 426529530 ZWVHWXRLSUPHGS-UHFFFAOYSA-N 349.438 2.894 0 50 EFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc4c(c3)CCCO4)C2)n1 426737385 JZWXJUXSIXGDIH-KRWDZBQOSA-N 325.412 2.912 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 91877090 ZQYGFZHMOJVSFY-MRXNPFEDSA-N 329.799 2.730 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCC[C@@H]3CCCN3C)cc2)cn1 426739848 SVAAACGGLJWQTD-SFHVURJKSA-N 339.439 2.971 0 50 EFAA C[C@H](Oc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)C(N)=O 426438516 BZJWIWACQNCQRW-AWEZNQCLSA-N 338.407 2.842 0 50 EFAA COCc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccc1OC 97694588 MBGGRDLTUYVCFO-IBGZPJMESA-N 348.487 2.528 0 50 EFAA COCC[C@]1(O)CCN(C(=O)Nc2ccccc2Cl)C[C@H]1C 92020931 XGBKRUPNZJSKAB-MLGOLLRUSA-N 326.824 2.981 0 50 EFAA Cc1ccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)o1 23582124 DXRYMWNXQCRSIG-MOPGFXCFSA-N 326.440 2.757 0 50 EFAA COc1ccc(-c2cnc(-n3cnnc3)c(C)c2)c(OC)c1OC 96132454 FRHGIUWYJBWVEW-UHFFFAOYSA-N 326.356 2.664 0 50 EFAA CCCn1cc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)c(C)n1 95515269 ITXWXBZZNHTEAH-CQSZACIVSA-N 343.427 2.591 0 50 EFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3cccnc3)[nH]c2C1 95360883 WNTYFPVQNJHZEW-CYBMUJFWSA-N 334.379 2.550 0 50 EFAA CC(C)=CCC/C(C)=C/CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91594850 ZSHVUOMWGFHBRB-KYSILRCISA-N 333.520 2.965 0 50 EFAA O=C(c1ccccc1-n1ccnn1)N1CCC(Oc2ccccc2)CC1 182425977 HHXFNGUPYMCSHO-UHFFFAOYSA-N 348.406 2.951 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCCN1Cc1ccccc1 243893339 AQADOUZAOCNQMY-IBGZPJMESA-N 338.455 2.569 0 50 EFAA C[C@@H](C(=O)Nc1ccccn1)N(C)Cc1c[nH]nc1-c1ccccc1 244795595 RJLKSZRZDAPJIY-AWEZNQCLSA-N 335.411 2.931 0 50 EFAA CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc1OCC 299369520 DFRCKENOJUKSLV-TUPIDYKKSA-N 347.411 2.820 0 50 EFAA C1COC([C@@]23[C@H]4[C@H]5[C@H]6[C@H]7C[C@H]5[C@@H]2[C@@H]2C[C@@H]5[C@@H]7[C@@H]7[C@H]8[C@@H]([C@H]4[C@H]67)[C@H]3[C@H]2[C@@H]85)O1 257359408 ZZFVTYMUVPUEQZ-ALOSGRIYSA-N 334.459 2.737 0 50 EFAA COC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)cn(C)c1=O 261494841 LJSZMJKEGRCIOC-UHFFFAOYSA-N 346.692 2.906 0 50 EFAA CCN(CCN(C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299758377 MFRPKOTYHZEGAL-OTWHNJEPSA-N 329.488 2.622 0 50 EFAA Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)n1 299782454 MOUOCHJLRJQVGX-IRXDYDNUSA-N 340.427 2.706 0 50 EFAA O=C1C[C@@H](c2ccccc2Cl)c2c(O)nc(N3CCCC3)nc2N1 828323336 LUHNBHXBMKBHNJ-NSHDSACASA-N 344.802 2.910 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCc1cnc2c(c1)CCC2 584893099 FUSLVBPJGSOMFT-LJQANCHMSA-N 339.439 2.835 0 50 EFAA O=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccc2nc[nH]c2c1 1875294763 WKXPNVPFTKHAAC-UHFFFAOYSA-N 333.298 2.693 0 50 EFAA C[C@@H]1c2ccc(Cl)cc2CCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 1875297067 BGAOONFGMQEVMY-NEPJUHHUSA-N 339.844 2.734 0 50 EFAA C[C@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)C[C@@H](C)[S@@]1=O 1875266135 LYKAAIBKDRJJBT-PPQZLQQDSA-N 332.404 2.596 0 50 EFAA CCCN1C[C@@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 1875266057 LBXIUYZVWHYSFY-OLZOCXBDSA-N 342.395 2.541 0 50 EFAA O=C1C[C@@H](C(=O)NCc2cccc(Oc3cccc(F)c3)c2)CCN1 1875322778 HULCHBOARUPYGN-AWEZNQCLSA-N 342.370 2.760 0 50 EFAA CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Cl)nc(Cl)c1C 1875369424 NGRWQBXOJVRJQK-LLVKDONJSA-N 344.242 2.828 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)CCn2c(C)cccc2=O)c(C)c1 952977830 WKBYXRVRIARBFT-UHFFFAOYSA-N 341.411 2.842 0 50 EFAA CCC(=O)Nc1cc(NC(=O)c2cnn3cc(C)cnc23)ccc1C 952872806 CNGNAAIZIQTMQM-UHFFFAOYSA-N 337.383 2.947 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccnn1C1CCCC1 886085428 PEWWBEDWHXTTDS-HNAYVOBHSA-N 343.475 2.989 0 50 EFAA O=C(c1c[nH]c2ncc(Br)cc12)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 1775986509 CSLJOFBVOWUUJX-WLLOZRIZSA-N 338.180 2.613 0 50 EFAA CCNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1365089433 BVGBWUCBIHDODN-NSHDSACASA-N 335.408 2.690 0 50 EFAA C[C@@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc(-n2cccn2)c1 1357286516 SKXJOISDZYNEKZ-CQSZACIVSA-N 338.415 2.508 0 50 EFAA Nc1ccnc(CN2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)n1 135159121 FSIHJWQOILTBAM-MSOLQXFVSA-N 337.471 2.545 0 50 EFAA COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(F)c3)C2)c1 170620203 RQYVFLZPMZTLJQ-QGZVFWFLSA-N 348.399 2.945 0 50 EFAA CC(=O)N1CCN(Cc2ccccc2NC(=O)C2CCCCC2)CC1 170602416 MBTWPUMEGHFZNC-UHFFFAOYSA-N 343.471 2.870 0 50 EFAA CC1=C(Br)CN(Cc2cc(=O)n3cccc(C)c3n2)CC1 281234266 UGDHBFRTLNREQM-UHFFFAOYSA-N 348.244 2.878 0 50 EFAA O=c1[nH]c2cc(NCc3ccccc3N3CCOCC3)ccc2o1 191001470 IZCKBUVYXDHDSM-UHFFFAOYSA-N 325.368 2.570 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)NCCc2c(C)cccc2C)C[C@@H]1C 191165094 MAJNLBHCRIKKHX-DOTOQJQBSA-N 332.444 2.687 0 50 EFAA CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC[S@@](=O)c1ccccc1 198985745 UEDRCWIIVORCQU-HOOSLVGPSA-N 348.512 2.660 0 50 EFAA COc1ccc(-c2cn(C3CCNCC3)nn2)cc1Br 656456654 HLFMVSBJJQHZTI-UHFFFAOYSA-N 337.221 2.641 0 50 EFAA C[C@H](Cc1cccs1)NC1CCN(C(=O)c2cccnc2)CC1 1506395079 BFVPXVNBKMBSOJ-CQSZACIVSA-N 329.469 2.969 0 50 EFAA CC(C)c1ccc(CC(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1 1704312586 GBFHUVBHJUQFDE-UHFFFAOYSA-N 328.460 2.666 0 50 EFAA CC(C)c1nccn1CCCNc1nnc([C@H](N)c2ccccc2)o1 1772707328 VSTZQLIYXOQGAP-OAHLLOKOSA-N 340.431 2.940 0 50 EFAA CCCn1c(C)c(CC(=O)N2CCOCC2)c2c1CC(C)(C)CC2=O 11843945 YLVSVCFNHVNKNL-UHFFFAOYSA-N 346.471 2.763 0 50 EFAA O=S(=O)(c1cccs1)N1CCO[C@H](Cc2cccc(F)c2)C1 12297141 ODHYCOMIMMSADG-CQSZACIVSA-N 341.429 2.519 0 50 EFAA CCn1ccnc1CN(C)Cc1nc(Cc2ccccc2F)no1 12302685 LEIPRXYPUALJDC-UHFFFAOYSA-N 329.379 2.648 0 50 EFAA CCCN1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccc2)CC1 12456389 VQHOOZJRDZYEHG-IBGZPJMESA-N 341.499 2.847 0 50 EFAA COCc1ccc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)s1 12710585 ABDSFWAPECGHBA-ZDUSSCGKSA-N 346.456 2.558 0 50 EFAA COc1ccc2[nH]cc(CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2c1 13803697 DYZJVQCGVPQLLA-GJZGRUSLSA-N 326.396 2.894 0 50 EFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccs3)C2)nn1 15066644 OMUXDFIEEMOVLP-AWEZNQCLSA-N 347.488 2.659 0 50 EFAA Cc1ncoc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 15069673 ZXGWGHUQCNWLKQ-QGZVFWFLSA-N 327.428 2.810 0 50 EFAA Brc1ccc([C@H](c2ccccn2)N2CCNCC2)cc1 19932809 OTZYWAILPKQROF-MRXNPFEDSA-N 332.245 2.839 0 50 EFAA COc1nc2ccccc2cc1-c1c[nH]c(C(=O)N2CCOCC2)c1 1875248610 AIRMDHBCWZNKLH-UHFFFAOYSA-N 337.379 2.711 0 50 EFAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1ccccc1F 123295689 IOYXZIMOFWLSPY-KBPBESRZSA-N 341.448 2.601 0 50 EFAA Cn1c(C(F)F)nc2cc(C(=O)N3CC(OC(F)F)C3)ccc21 337112941 WWQMLJSVJBXSQB-UHFFFAOYSA-N 331.269 2.575 0 50 EFAA Cc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)C(F)(F)F)o1 667300756 ZBCMJZZDETVMRC-LJWDBELGSA-N 334.338 2.851 0 50 EFAA Cn1nncc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 253424829 KZWMKVXAKHEYES-HNNXBMFYSA-N 336.399 2.573 0 50 EFAA COC1(CN[C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 153404351 AVUMANKLFQXGOR-GJZGRUSLSA-N 342.439 2.753 0 50 EFAA c1cn2cnnc2c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 370708830 PMNLZHAYQYHYIJ-LBPRGKRZSA-N 340.456 2.844 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(C(N)=O)cc2)C1 163598670 OXMWWRQHCXDKEH-ZDUSSCGKSA-N 333.432 2.845 0 50 EFAA CNC(=O)c1sc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc1C 905016549 BXCXORJLBWBIQX-CQSZACIVSA-N 343.452 2.831 0 50 EFAA O=C(O)c1csc([C@H]2CCCN2C(=O)CCC2CCOCC2)n1 910116438 YGQKMIYSELINOH-CYBMUJFWSA-N 338.429 2.712 0 50 EFAA CN1CCC2(CC1)CN(c1ncc(C(=O)O)s1)Cc1ccccc12 910383642 HYSIAKJTIKXNMB-UHFFFAOYSA-N 343.452 2.825 0 50 EFAA CN(C(=O)C[C@@H]1CC(=O)Nc2ccccc21)C(C)(C)CN1CCCC1 822953629 YAIWCPFLCRDKLL-HNNXBMFYSA-N 343.471 2.835 0 50 EFAA COC[C@H]1COCCN1C(=O)Nc1ccc(-c2ccccc2)c(C)n1 931485588 NPYSJHFTYKFWDI-INIZCTEOSA-N 341.411 2.936 0 50 EFAA Cc1ccccc1-c1nnsc1C(=O)N1CC[C@]2(CCOC2)C1 934531300 RSIXRSSRQKUOBH-KRWDZBQOSA-N 329.425 2.766 0 50 EFAA CC1(C)C[C@@H](O)CCN(c2ccc(I)cn2)C1 450851804 CJOZBOWXVLLHQF-NSHDSACASA-N 346.212 2.674 0 50 EFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 4380875 KCACJFWZGHFOBE-INIZCTEOSA-N 348.399 2.675 0 50 EFAA C[C@@H]1CCCn2cc(C(=O)NC[C@H](C(=O)O)c3ccc(F)cc3)nc21 2325788601 RGNVVNXLGONMID-RISCZKNCSA-N 345.374 2.518 0 50 EFAA Cc1ncc(CNC(C)(C)c2ccc(Br)cc2)c(=N)[nH]1 2325809047 AAPYPVRQMURWMU-UHFFFAOYSA-N 335.249 2.985 0 50 EFAA COc1ccc(CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 64768 XVXPPRKCIUYMFW-UHFFFAOYSA-N 340.423 2.595 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(O)cc1 171305 ZLMPVBUDVJRLTQ-OAHLLOKOSA-N 328.320 2.894 0 50 EFAA biogenic O=C(O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 234238 YUOIZOQWJILKLB-CQSZACIVSA-N 326.377 2.668 0 50 EFAA CCSc1nc2ccc(I)cc2c(=O)n1C 520304 UMFOAQILZOPLMV-UHFFFAOYSA-N 346.193 2.650 0 50 EFAA CC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 610105 LLKNOUQOCLSAGB-MRXNPFEDSA-N 343.383 2.631 0 50 EFAA Cc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1Cl 2522056 RINKKBGOUNGMAZ-UHFFFAOYSA-N 344.846 2.804 0 50 EFAA C[C@@H](NC(=O)C(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 3073534 HHZKMFQQJGVLOU-CYBMUJFWSA-N 346.814 2.712 0 50 EFAA C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1 3516331 UIKHGMJPJZTFQY-LBPRGKRZSA-N 339.424 2.996 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccccc1 4858303 AZACCRYHXAOTME-UHFFFAOYSA-N 325.817 2.870 0 50 EFAA O=Cc1cc(Cl)ccc1OCCn1cnc2ccccc2c1=O 6701147 NYLCNVXHWQURQK-UHFFFAOYSA-N 328.755 2.941 0 50 EFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 115637748 IVGUOVGEKUAQQD-DZGCQCFKSA-N 333.391 2.941 0 50 EFAA CCCCn1ncc(C)c1NC(=O)C(=O)N1c2ccccc2C[C@@H]1C 55360223 DEVQQSGBGBYVHD-AWEZNQCLSA-N 340.427 2.908 0 50 EFAA Cc1noc([C@H](C)N2CCN(CCO[C@H]3CCCC[C@H]3C)CC2)n1 247995090 CQIPPAKAWFFJCL-VYDXJSESSA-N 336.480 2.652 0 50 EFAA CCCc1nc(CN(CC)C(=O)c2cc(=O)c3ccccc3[nH]2)no1 55108231 DBAXCMQWQGLMQS-UHFFFAOYSA-N 340.383 2.526 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3n[nH]c4c3CCC4)cc2)n1 67910203 RHDYCZORXOXLPS-UHFFFAOYSA-N 335.411 2.631 0 50 EFAA Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 173548314 BAKAIVBKNGCGDY-MRXNPFEDSA-N 339.395 2.723 0 50 EFAA CCNc1cc(C)nc(NCCNC(=O)Nc2ccccc2C)n1 65363710 JSPZGXVSMTUWAE-UHFFFAOYSA-N 328.420 2.759 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)N[C@H]1CCO[C@@H]1C1CC1 253428781 LQSIVMWSIVRTDT-DOTOQJQBSA-N 326.400 2.870 0 50 EFAA COCc1nc2n(n1)C[C@@H](N[C@H]1CCCCc3ccccc31)CC2 124684974 VMJGYSRKBNAURE-RDJZCZTQSA-N 326.444 2.797 0 50 EFAA CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 4934714 LQMSECXGKAUFCR-INIZCTEOSA-N 343.452 2.989 0 50 EFAA CCn1ccnc1CN(Cc1cccnc1C)[C@H]1CC12CCNCC2 328621758 ATBSGULJLNRSRV-SFHVURJKSA-N 339.487 2.751 0 50 EFAA O=C(NC1(c2cc(F)cc(F)c2)CC1)c1ccc(-n2cnnc2)cc1 215214426 IWRZKAVHAUJLGG-UHFFFAOYSA-N 340.333 2.965 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cc[nH]c1C1CCC1 487415820 WLRXMUQIPKIRBP-YJBOKZPZSA-N 342.443 2.893 0 50 EFAA Cc1nnnn1CCCN1CCC[C@H](CCc2ccc(F)c(F)c2)C1 72147574 YYLPCORIFSLBJV-MRXNPFEDSA-N 349.429 2.995 0 50 EFAA C[C@@H](O)C[C@H]1CCCN1C(=O)c1cnc(S)n1-c1ccccc1 154991326 FNCSPTZJIQYLRL-TZMCWYRMSA-N 331.441 2.537 0 50 EFAA Cc1cc(N2CCC(Cc3noc(C)n3)CC2)n2nc(C)c(C)c2n1 72433734 PZXJGVONUYDYQE-UHFFFAOYSA-N 340.431 2.805 0 50 EFAA Cc1ccc([C@H](CNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)N(C)C)cc1 155872888 CCIISCNBWNUXKE-LIRRHRJNSA-N 342.487 2.933 0 50 EFAA CCc1ncsc1NC(=O)c1ccccc1S[C@@H](C)C(N)=O 241371274 MMBHRLPNNSCHLV-VIFPVBQESA-N 335.454 2.924 0 50 EFAA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1noc2c1CCCCC2 156658989 MYHQWOJUQRYBBO-UKRRQHHQSA-N 346.427 2.544 0 50 EFAA CCCNc1ncc(CN(C)Cc2cc(-c3ccccn3)no2)cn1 216353733 LWQYPRSAYWGVKA-UHFFFAOYSA-N 338.415 2.981 0 50 EFAA Cc1cncc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c1 72126668 SVZXTKVBDZUIPM-FQEVSTJZSA-N 335.451 2.705 0 50 EFAA O[C@@]1(CN2CCCCC2)CCN(c2cc(C(F)(F)F)ccn2)C1 77454629 NICMQPOPNPWFAR-OAHLLOKOSA-N 329.366 2.528 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)s1 238017371 JBWXBHXFBBWZCC-SFHVURJKSA-N 343.404 2.760 0 50 EFAA Cc1c(COC(C)C)cccc1NC(=O)N[C@H]1CCc2ncnn2C1 132506949 UTJWJLLETAASCA-HNNXBMFYSA-N 343.431 2.648 0 50 EFAA C[C@H](CC(=O)N1CCN(CCc2ccccc2)CC1)c1ccncc1 129769115 DZQFUESSTCUIAV-GOSISDBHSA-N 337.467 2.962 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H]2SC)C1 240333597 FECAORBDNRSXMT-USDCXDCFSA-N 332.535 2.650 0 50 EFAA CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 240444220 FWRUWPKGPNAZLF-RDTXWAMCSA-N 336.501 2.646 0 50 EFAA CCCc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n(C)n1 290472243 WEUASDNFLHICFO-UHFFFAOYSA-N 329.326 2.535 0 50 EFAA NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)C1 426640351 FIZHFAFTYFZRTG-OAHLLOKOSA-N 348.406 2.567 0 50 EFAA CC(C)(O)c1ccc(CNC2CCN(C[C@@H]3CCOC3)CC2)cc1 291409844 GFVQIUIGCNUPAG-KRWDZBQOSA-N 332.488 2.505 0 50 EFAA O=C(c1ccncc1Cl)N1CCN(C2Cc3ccccc3C2)CC1 426406066 IXTRRZQFFUHNEN-UHFFFAOYSA-N 341.842 2.660 0 50 EFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 179015058 DZPFIDGIRAFVAY-KTRBRXNASA-N 329.831 2.969 0 50 EFAA Nc1nc(NCCOCc2ccc(Cl)cc2)cc(C2CC(O)C2)n1 223501525 FNSBYZVYWDDEMO-UHFFFAOYSA-N 348.834 2.579 0 50 EFAA CCOC(=O)c1ccc(N2CN(Cc3ccco3)CNC2=S)cc1 20171117 OSEWYQDUXXCASX-UHFFFAOYSA-N 345.424 2.568 0 50 EFAA Cc1cnc(C)c(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)n1 95497376 ZYLGNFOGSDYKEO-QGZVFWFLSA-N 342.491 2.626 0 50 EFAA COc1cccc(C2(CN[C@@H](c3cccnc3)c3nnc[nH]3)CC2)c1 294431330 UTQPBJWQDUEXJN-KRWDZBQOSA-N 335.411 2.619 0 50 EFAA O=C(NCc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CC2)C1 91737260 IRYVTZPNBLEZFJ-SFHVURJKSA-N 334.419 2.981 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)NC2CCCCC2)C1 91694694 GIKCQWMEWVBXMV-QGZVFWFLSA-N 326.437 2.622 0 50 EFAA CSc1cccc(N2CCN(CCCCCOC(N)=O)CC2)c1 96026772 OAOICDGPTDOBRN-UHFFFAOYSA-N 337.489 2.796 0 50 EFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3cccc(C)n3)[nH]c2C1 95376298 WSVISKYCAIFRAF-ZDUSSCGKSA-N 348.406 2.858 0 50 EFAA Cc1ccc(-n2cnnc2)cc1NC(=O)N[C@H]1COC2(CCCC2)C1 96142141 ZSHMPJAOTCPFPK-CQSZACIVSA-N 341.415 2.799 0 50 EFAA CC(C)(CO)NC(=O)Nc1ccccc1OCCc1ccccn1 95517845 GDOHZBDWOLSKJE-UHFFFAOYSA-N 329.400 2.596 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 95515242 BQEFKDJWSPRSAU-UHFFFAOYSA-N 349.438 2.983 0 50 EFAA Cc1ccccc1[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1C(=O)O 91745452 UECFIKIRPHMGEX-LSDHHAIUSA-N 329.400 2.802 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)CCOc1ccccc1)CC2 91391227 JHDQGCLXUNOASO-UHFFFAOYSA-N 344.455 2.707 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Cn2ccnc2C)C1 95353371 HSBAEJDHAXMRTI-INIZCTEOSA-N 329.448 2.594 0 50 EFAA COc1cc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)ncn1 297728938 KEQVCDGOBQXEJK-CYBMUJFWSA-N 348.790 2.824 0 50 EFAA O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1ccn2nnnc2c1 534636910 FLFAJCREWBQEPN-KRWDZBQOSA-N 335.411 2.828 0 50 EFAA Nc1nc(Cl)cc(NCCc2ccc(OCC(F)(F)F)nc2)n1 274611658 HXTLZCJYIMJRAC-UHFFFAOYSA-N 347.728 2.703 0 50 EFAA COC[C@H](C)NC(=O)[C@H]1CC(Cc2cccc3ccccc23)=NO1 299771531 SYBWQPSYVKEQJN-SCLBCKFNSA-N 326.396 2.678 0 50 EFAA O=C(O)c1cccc(C(=O)NCC[C@@H]2CCCN3CCCC[C@H]23)c1 299769802 QIOCIGUMMLRIJW-WMLDXEAASA-N 330.428 2.769 0 50 EFAA CC(=O)c1ccc(NC(=O)NC2(CN3CCOCC3)CCCC2)cc1 299769812 QPBQXDBZDAZFJG-UHFFFAOYSA-N 345.443 2.656 0 50 EFAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cc(-c2ccsc2)[nH]n1 828211951 ZVPCDVWDKZKFED-JTQLQIEISA-N 330.417 2.802 0 50 EFAA Cc1nc(C)n(CCCNC(=O)N2CCCC[C@@H]2c2nccs2)n1 584893071 PIUPJWRUDDGFEW-CQSZACIVSA-N 348.476 2.678 0 50 EFAA CCN(CCCc1ccc(C)nc1)Cc1c(CO)cnc(C)c1O 685944860 DQUNGHFYCDMICK-UHFFFAOYSA-N 329.444 2.746 0 50 EFAA C[C@]12CCC(=O)N1[C@@H](c1nc(-c3nccc4[nH]ccc34)no1)CS2 952883604 ODUQLHLWNQBQIE-BZNIZROVSA-N 341.396 2.739 0 50 EFAA O=C(NCCOCC(F)(F)F)[C@H]1CC[C@@H](Nc2ccccn2)CC1 952995807 ZTAMUACKMPAJTN-BETUJISGSA-N 345.365 2.747 0 50 EFAA CO[C@H]1C[C@@H](N(C)C(=O)c2cnc3c(cnn3C3CCCC3)c2)C1 1875256484 QCAYZPSNTAHVMN-IYBDPMFKSA-N 328.416 2.796 0 50 EFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)Cn2nc3ccccc3n2)c1 952864736 LLCNNDDUIXMJSH-ZDUSSCGKSA-N 349.394 2.585 0 50 EFAA NC(=O)N1CCC[C@H](C(=O)Nc2cccc(Oc3ccccc3)n2)C1 889469645 LRAOYVHKGSRULB-ZDUSSCGKSA-N 340.383 2.603 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC2(CCN(Cc3cnc[nH]3)CC2)O1 1775987775 HKZGNEZKBUWQRP-KRWDZBQOSA-N 340.471 2.665 0 50 EFAA Cn1nc(C(F)(F)F)cc1C[S@](=O)c1ccc2c(c1)OCCO2 899276284 MNONXIAKCHWTST-QHCPKHFHSA-N 346.330 2.518 0 50 EFAA CCc1cc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nc(C)n1 272854086 KRGFRDDFDWSBSO-HNNXBMFYSA-N 339.443 2.906 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CCCC3)o1 275245018 BVKXSKWMWILQHJ-LBPRGKRZSA-N 333.413 2.532 0 50 EFAA CCCC(=O)N1CSC[C@H]1C(=O)Nc1cc2cn[nH]c2cc1C 276659226 FPUSLCBFLWDNGM-AWEZNQCLSA-N 332.429 2.511 0 50 EFAA COc1ccc2c(c1)OCCC[C@@H]2NC[C@H](c1cnn(C)c1)N(C)C 170077861 HKVUQNLVFIVFJU-ZWKOTPCHSA-N 344.459 2.535 0 50 EFAA O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[C@H]1CSCN1 170046879 CVLIGONDEPSGGR-JKSUJKDBSA-N 328.437 2.832 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CC(=O)N(C2CC2)C1 279616498 SMXKWNFHMDVDTR-QGZVFWFLSA-N 331.391 2.641 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 281713583 BAYBZDVEUKZFND-HZPDHXFCSA-N 343.354 2.545 0 50 EFAA CC(C)(NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1ncc[nH]1 408524530 VXLVEKFCKONYMZ-UHFFFAOYSA-N 341.333 2.945 0 50 EFAA CCc1ccc2occ(C(=O)NC[C@H](CO)Cc3ccncc3)c2c1 408517600 NHSPIAQRUOBMCY-MRXNPFEDSA-N 338.407 2.971 0 50 EFAA COC[C@@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccccc1 187702794 AWSIZIZZJOATEE-MSOLQXFVSA-N 332.444 2.975 0 50 EFAA COc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 225405872 CPPHDVNCKPKCIG-CQSZACIVSA-N 342.370 2.964 0 50 EFAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(N2CCCCC2)c1 225467528 TVQQRKVVKPFKEW-IRXDYDNUSA-N 344.459 2.843 0 50 EFAA O=C(NCc1nccs1)N1CC2(CCOCC2)c2ccccc21 191284412 LWNZXQURTOKHGO-UHFFFAOYSA-N 329.425 2.921 0 50 EFAA C[C@H](CNC(=O)c1cc(C(=O)O)co1)c1nc(-c2ccccc2)no1 191633107 VYUODKBUPQYNKJ-SNVBAGLBSA-N 341.323 2.561 0 50 EFAA C[C@H]1CSCCN(C(=O)NCc2ccnc(OCC3CC3)c2)C1 192326155 NFPAIYYXBQQRLM-CYBMUJFWSA-N 335.473 2.765 0 50 EFAA COC[C@@]1(C(=O)O)CCN(Cc2ncc(-c3ccccc3)s2)C1 652485197 CAYHBEPIJKCTKM-QGZVFWFLSA-N 332.425 2.733 0 50 EFAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 655600463 HDYBLHYFJXKFBN-DZKIICNBSA-N 344.798 2.651 0 50 EFAA Cc1nn(Cc2cn(Cc3cnn(-c4ccccc4)c3)nn2)c(C)c1C 656447193 ICNYTYKETWJBCW-UHFFFAOYSA-N 347.426 2.682 0 50 EFAA Cc1nc(N)nc(N2CCC[C@@H](OCc3ccccn3)C2)c1Cl 1506419461 CIPTVGWPCWSMMT-CYBMUJFWSA-N 333.823 2.601 0 50 EFAA Cc1nnc(SCC(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)o1 1506399067 JUPNCAOGCXYNSB-UHFFFAOYSA-N 349.441 2.580 0 50 EFAA COc1cccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)c1 82771 GLOZFQOOOCWEGX-WJDWOHSUSA-N 349.415 2.683 0 50 EFAA CCOC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704280205 UHEOUHXCCOEXPJ-QAPCUYQASA-N 342.439 2.724 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCN21 1615736446 XTKIDAUGLNGVIY-KGLIPLIRSA-N 340.826 2.804 0 50 EFAA 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CCc1ccnc(CNC(=O)N2CCO[C@H](c3nc(C)cs3)C2)c1 225790611 ZYDWXBHQYZECSA-HNNXBMFYSA-N 346.456 2.692 0 50 EFAA N[C@@H]1CC[C@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@H]12 423528362 NWDHYUDNGCRYCY-AEGPPILISA-N 345.443 2.682 0 50 EFAA CCc1occc1C(=O)N1C[C@@H](NC(C)=O)CC[C@H]1C(F)(F)F 330554761 DVIOIDGZEYHIPP-GWCFXTLKSA-N 332.322 2.514 0 50 EFAA Cc1nc(-c2ccccc2)oc1CN1CCN(C[C@H]2CCCO2)CC1 639433089 DQOGGAVILZNGJX-GOSISDBHSA-N 341.455 2.947 0 50 EFAA COc1ccccc1-c1nc(C(=O)N2CC[C@](C)(C(=O)O)C2)cs1 237350129 MRWHBHZLLCLSKL-KRWDZBQOSA-N 346.408 2.756 0 50 EFAA CCCN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(C)c(F)c1)C2 248112414 OEZOFGJUMYPOJA-GJZGRUSLSA-N 340.464 2.629 0 50 EFAA COc1ccc(-n2nnc(C(=O)NC3CCCC3)c2C2CC2)cc1 16648116 JBUCHNQBPFZIQY-UHFFFAOYSA-N 326.400 2.826 0 50 EFAA O=C(CN(Cc1cccnc1)c1ccccc1)NCCC1(O)CCC1 253416752 QELZSVNTNSKWSU-UHFFFAOYSA-N 339.439 2.510 0 50 EFAA Cn1c(C(=O)N2CCc3ncnc(O)c3C2)c(Cl)c2ccccc21 356997003 MCIMCNDLQTWAJN-UHFFFAOYSA-N 342.786 2.526 0 50 EFAA CCOc1ccccc1CNC(=O)N1CCC[C@H]1[C@H]1CCCN1C 363519528 IJJNGBKNUPDFMK-SJORKVTESA-N 331.460 2.854 0 50 EFAA C[C@@H]1c2ccccc2CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 264404099 IBGVZSJWVFWTMY-AUUYWEPGSA-N 345.464 2.743 0 50 EFAA C[C@@H](NC(=O)c1csc2cncn12)[C@H]1OCCc2sccc21 816722589 BBCIHIMLONTVDY-YMTOWFKASA-N 333.438 2.890 0 50 EFAA Cc1ccc(NC(=O)NCc2c(C)nc3ccccn23)c(N(C)C)n1 930503989 BFNFAZRBVZULSK-UHFFFAOYSA-N 338.415 2.734 0 50 EFAA CN(C(=O)OC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncc[nH]1 857705386 ABZVRSNOXDHLQP-LSDHHAIUSA-N 333.363 2.886 0 50 EFAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 236911724 SXBLWCDHTFYBSE-DOTOQJQBSA-N 332.444 2.610 0 50 EFAA Cc1cc(NC(=O)c2cn3c(n2)CCCC3)ncc1Br 332257844 VDMFZLWZKWUZEQ-UHFFFAOYSA-N 335.205 2.938 0 50 EFAA COc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1Cl 4384901 UTEPHSVNMLAHIO-UHFFFAOYSA-N 347.223 2.876 0 50 EFAA Cc1csc(CN(C)C(=O)[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)n1 2325816607 HTRCWISIMQJLRY-ZBFHGGJFSA-N 348.472 2.965 0 50 EFAA O=C(Nc1ccccn1)c1cc2c(N3CCNCC3)cccc2s1 2325855616 ICWMLJYTGYHSAU-UHFFFAOYSA-N 338.436 2.958 0 50 EFAA CC(F)(F)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)nc1 2325874170 CLTWVAKSMVEJDF-UHFFFAOYSA-N 330.331 2.811 0 50 EFAA CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 144616 KJJCFGQWSZWPHI-WDEREUQCSA-N 334.441 2.925 0 50 EFAA COC(=O)c1cc(NC(=O)Cc2cccs2)cc(C(=O)OC)c1 194959 LLFKSRAHIRSPNB-UHFFFAOYSA-N 333.365 2.503 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c(OC)c1 206032 IOXOJDRHBNCDSX-ZDUSSCGKSA-N 333.384 2.908 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nsnc2c1 270082 DNCNFJXEOZLMMV-UHFFFAOYSA-N 328.353 2.742 0 50 EFAA O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 313525 PQMXMNGTLLOEQV-OAHLLOKOSA-N 335.285 2.583 0 50 EFAA O=C(O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 4976815 UQHMTTHSPRDBBQ-DHZHZOJOSA-N 336.141 2.898 0 50 EFAA COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 55565704 ZZFPEHFEYPMWOO-MRXNPFEDSA-N 339.439 2.844 0 50 EFAA Cn1ccnc1CN(C(=O)CCC(=O)c1ccc(F)cc1)C1CC1 54039065 XEXLKKWFCIMLAT-UHFFFAOYSA-N 329.375 2.713 0 50 EFAA CC(C)(C)n1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 282431369 FZUQFPJYFGUJBJ-JKSUJKDBSA-N 331.391 2.725 0 50 EFAA Cc1ccc([C@H](CNC(=O)CCc2c(C)nn(C)c2C)N(C)C)cc1 67268286 FHNTZXJUHUPDTC-IBGZPJMESA-N 342.487 2.697 0 50 EFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc2nccnc2c1 20513477 AXOLSKCAEZCPQX-LJQANCHMSA-N 343.390 2.998 0 50 EFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3nccn3C)C2)cc1 67921333 TXYDJJBJHFBJDM-INIZCTEOSA-N 341.459 2.762 0 50 EFAA Cc1ccc(C(=O)N(C)[C@@H](C)c2nccs2)cc1N1CCNC1=O 65465783 TXQREIKOBJEDDO-LBPRGKRZSA-N 344.440 2.814 0 50 EFAA CC(C)N1CCc2nc(CN3CC[C@H](O)C34CCCC4)sc2C1 353995064 GHWXBCJAQFTUQD-INIZCTEOSA-N 335.517 2.789 0 50 EFAA O=C(Nc1cccc(CC(F)(F)F)c1)N[C@@H]1CCc2ncnn2C1 120221033 QZHUSUJXDMHWAP-GFCCVEGCSA-N 339.321 2.519 0 50 EFAA Cc1cc(C)nc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 126143620 CHUHSOLZYVBPLQ-OAHLLOKOSA-N 342.399 2.604 0 50 EFAA COc1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)c1ccc(C)o1 331763809 HMSPRHJJNIIRJI-AWEZNQCLSA-N 335.425 2.995 0 50 EFAA COC(=O)c1cc2c(N(C)Cc3ccccc3)nc(N)nc2s1 1387162 MXGVRTYKKADKCT-UHFFFAOYSA-N 328.397 2.697 0 50 EFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CC(F)(F)C[C@@H]1CO 366679942 NDTFOIDLWMZEJU-CYBMUJFWSA-N 334.322 2.716 0 50 EFAA CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1cn(C)nc1C1CC1)CO2 360885642 OLIULOPEVHENCL-CQSZACIVSA-N 341.411 2.886 0 50 EFAA Cc1cc(N[C@@H]2CCOC[C@H]2OCCO)nc2ccc(Cl)cc12 219326056 HQXKVCPBGPXKOH-HZPDHXFCSA-N 336.819 2.775 0 50 EFAA COCc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)o1 39518561 PKCZISMXKBUIQN-QGZVFWFLSA-N 336.476 2.627 0 50 EFAA CN(C)C(=O)[C@@H]1CCCN1CCOc1ccccc1C(F)(F)F 124809860 NWRFVXDARPXCNQ-ZDUSSCGKSA-N 330.350 2.637 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@H](C)N1 154020105 NUVHJMUFXQHTCQ-RYUDHWBXSA-N 325.250 2.591 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCN(C)C)CCCN1Cc1ccc(F)cc1 72163119 DTKRJDUIIAXGSV-LJQANCHMSA-N 349.494 2.836 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2nccnc2c1 77284650 SZBBVRIKMRAAES-CQSZACIVSA-N 327.384 2.578 0 50 EFAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cnn(C)c3)nc21 12397185 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343.398 2.508 0 50 EFAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(Cl)nc1Cl 245289881 FUVVPYKBXAQNTC-RJVLYZLMSA-N 343.210 2.706 0 50 EFAA O=C(NCCc1cn2ccccc2n1)N[C@H]1CCOC2(CCCC2)C1 133027039 BOTGUFUADOMVNN-HNNXBMFYSA-N 342.443 2.668 0 50 EFAA CCn1ncc2cc(C(=O)N[C@H](CO)CCC(C)(C)C)c(C)nc21 240278302 DQHIGTVQQJOYOX-AWEZNQCLSA-N 332.448 2.677 0 50 EFAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 242167702 WYSQVSHRMXFISF-FRYIKTPZSA-N 340.467 2.697 0 50 EFAA NS(=O)(=O)c1ccc2c(c1)N(C[C@H]1CCCC(F)(F)C1)CCC2 338280827 MHMPWZUIFADIEQ-LBPRGKRZSA-N 344.427 2.912 0 50 EFAA CSCCCNC(=O)c1cccc(-c2ccsc2C(N)=O)c1 426420546 HMONBUGGZFQLKU-UHFFFAOYSA-N 334.466 2.997 0 50 EFAA CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 130075861 HQUAQNVUUFZYSE-IPMKNSEASA-N 329.488 2.991 0 50 EFAA CC(C)c1nc(CNC(=O)CCNC(=O)c2ccccc2F)cs1 220470093 TUENGNBJSAUEDY-UHFFFAOYSA-N 349.431 2.842 0 50 EFAA COc1cccc2c1OC[C@H](C(=O)NCCOc1ccc(F)cc1)C2 95386573 YEKYTFLKDMLFCK-CQSZACIVSA-N 345.370 2.581 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)nc1)N[C@H]1CC12CCCCC2 180030221 ULYWCHXFSWJEAL-HNNXBMFYSA-N 330.432 2.763 0 50 EFAA CCn1nc(-c2ccncc2)nc1-c1cccc(N2CCOCC2)c1 96150483 YKLYSFYJMCZDSS-UHFFFAOYSA-N 335.411 2.864 0 50 EFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCC3)C2)cc1 95387914 OMSVTDMHVUFHMV-GOSISDBHSA-N 344.455 2.967 0 50 EFAA Cc1noc(C)c1CN1CC2(CCN(C(=O)C(C)(C)C)CC2)CC1=O 95380412 ZUHUZZDFAKMJGC-UHFFFAOYSA-N 347.459 2.679 0 50 EFAA CN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc3C1)CC2 91915199 QXYHHIRFRZXDIZ-SFHVURJKSA-N 340.467 2.653 0 50 EFAA Nc1nc(CCC(=O)N(Cc2ccccn2)Cc2ccco2)cs1 96131984 UCVFMVUUBNCOEY-UHFFFAOYSA-N 342.424 2.875 0 50 EFAA O=C(CCc1cncc(F)c1)Nc1cccc(N2CCOC2=O)c1 181725439 GZIDRYQXEBLWFE-UHFFFAOYSA-N 329.331 2.749 0 50 EFAA CC[C@@](O)(CCCO)CNC(=O)Nc1cc(F)cc(F)c1Cl 97675458 VZZJACLZOZEKNA-CQSZACIVSA-N 336.766 2.653 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91486862 JZUYLOCLETWVCU-SFHVURJKSA-N 334.416 2.718 0 50 EFAA O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CC[C@H](Oc2ccccn2)C1 268669238 ATCHOTPQCZQGFO-GOEBONIOSA-N 344.798 2.718 0 50 EFAA C[C@H]1CCc2c(sc3ncnc(N4CCNC(=O)C[C@H]4C)c23)C1 257365273 KLUPVICSPXWHSO-WDEREUQCSA-N 330.457 2.531 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)C[C@H]1OCCc2ccccc21 184487792 ONLNEBFQBHDHNJ-MRXNPFEDSA-N 325.368 2.683 0 50 EFAA COc1cccc(-c2cc(CNC(=O)C[C@@H](C)n3cccn3)no2)c1 534666261 HUFDLGJEXALZFG-CYBMUJFWSA-N 340.383 2.814 0 50 EFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cc3c(nc2OC)CCC3)c1C 299780798 CVSUDVZVNFOPOW-LLVKDONJSA-N 342.443 2.903 0 50 EFAA Cc1ccc(CN(CCCO)C(=O)NCc2cncn2C2CC2)s1 584896958 XSNCUFZCMWZCCS-UHFFFAOYSA-N 348.472 2.682 0 50 EFAA CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1F 1451712557 RFBABWHVCDWHHX-UHFFFAOYSA-N 340.395 2.955 0 50 EFAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC[C@H]1O 269303705 RYFJAQHYVZKYKK-GXFFZTMASA-N 338.256 2.574 0 50 EFAA CCN(c1cc(C)ccc1F)S(=O)(=O)c1c(C)nn2cccnc12 1875281268 ZCKTXLXBHVNYCX-UHFFFAOYSA-N 348.403 2.700 0 50 EFAA CC(C)c1nsc(CN2CCOC[C@H]2c2nnc(C(C)C)o2)n1 1875271455 XIAFONYMUASMMP-NSHDSACASA-N 337.449 2.741 0 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C[C@H]1CCN(c2nnc(-c3ccccn3)s2)C[C@@H]1n1ccnc1 273724211 HDDMZPCDRSSIOV-JSGCOSHPSA-N 326.429 2.884 0 50 EFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2cccc3nonc23)c1 1073282698 CRXWZHNZNRXWHR-AEFFLSMTSA-N 349.438 2.714 0 50 EFAA CC(C)c1cc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)n[nH]1 186578895 DOJJDEJUXJOVBG-INIZCTEOSA-N 341.459 2.713 0 50 EFAA CCC(=O)N1CC[C@@H](NC(=O)NC2(Cc3ccccc3)CCCC2)C1 170595018 XOLDMSOUUSTZIM-QGZVFWFLSA-N 343.471 2.852 0 50 EFAA Cc1cc2nc(NCCNC(=O)C(C)(C)C)c3ccccc3n2n1 170607674 HBVBMIWBJXPKEX-UHFFFAOYSA-N 325.416 2.765 0 50 EFAA CCCc1nc(C)c(C(=O)NCc2ccc(-c3nnn[nH]3)cc2)s1 171959261 LOUMKYHZPGJUDB-UHFFFAOYSA-N 342.428 2.514 0 50 EFAA COC(=O)c1ccccc1CCN1CCO[C@@H](c2nccs2)C1 187014966 GKKPCGMWGYJWCB-OAHLLOKOSA-N 332.425 2.546 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nncn2C2CC2)CC1 408382394 CVVGPPZCCUVFEK-CVEARBPZSA-N 332.448 2.524 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 408474456 YHLCNCDOTPSTJJ-AGYKMIKPSA-N 346.471 2.779 0 50 EFAA CC(C)(C)O[C@@H]1C[C@@H](NC(=O)CCc2ccccn2)[C@H]1n1cccn1 408520670 RIEXAUOYZAITNT-JFIYKMOQSA-N 342.443 2.524 0 50 EFAA Cc1cc(C)c(N2CC[C@H](NC(=O)c3oc(C)nc3C)C2=O)c(C)c1 189934629 OABORAKXQZZAIN-HNNXBMFYSA-N 341.411 2.752 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 191741790 YVYPBOJOVBTBFK-ZDUSSCGKSA-N 333.388 2.899 0 50 EFAA CCc1csc([C@@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 195313614 ZHWPYESDBPQVGR-LLVKDONJSA-N 328.445 2.766 0 50 EFAA CC(C)(C)n1cnc(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)n1 654037788 WXYGJEGBOLHHPE-NXEZZACHSA-N 349.357 2.655 0 50 EFAA COc1ccc(CCNC(=O)CN2CCC[C@@H]2c2ccccn2)cc1 1506399021 WIWAZCYKWFHJFO-LJQANCHMSA-N 339.439 2.586 0 50 EFAA CC(C)CCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(F)cn3)CC[C@@H]21 215158294 JWRLTDFUNGJZJC-PBHICJAKSA-N 347.434 2.720 0 50 EFAA O=C1[C@@H]2CC[C@@H](CN(CCOCc3ccccc3)C2)N1CC1CCC1 222251646 XUEKBNTYLRWTCK-UXHICEINSA-N 342.483 2.926 0 50 EFAA Cn1ccc(C2CCN(C(=O)NCC3CCCCC3)CC2)cc1=O 1772803982 BTAKRSSPNPHMEN-UHFFFAOYSA-N 331.460 2.855 0 50 EFAA O=C1CCC(=O)N1OCCOc1ccc(OCc2ccccc2)cc1 5049025 GZRALCFCGHMTGO-UHFFFAOYSA-N 341.363 2.725 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 12403789 LXHLXOMDHLBJJA-GJZGRUSLSA-N 332.400 2.656 0 50 EFAA Oc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1 14955790 GHEUXGXUNQKYDQ-UHFFFAOYSA-N 348.450 2.827 0 50 EFAA COc1ccc(CNCC[C@H]2CCC(=O)N2CCCSC)cc1 14971998 OAPMDDJTLFGFAF-MRXNPFEDSA-N 336.501 2.919 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 19909363 VXFLZIBAPMPYKL-UHFFFAOYSA-N 344.436 2.763 0 50 EFAA COc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cn1 1857679616 OEFQSOQEKFCGPI-UHFFFAOYSA-N 336.395 2.534 0 50 EFAA Cn1nc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)nc1Cl 1857697241 LQTYYXWCZRTZSF-UHFFFAOYSA-N 328.803 2.669 0 50 EFAA CN(C)c1ncc(C(=O)NC[C@@H]2CCOC(C)(C)C2)cc1Cl 653870967 HCUURLCSVISBCO-LLVKDONJSA-N 325.840 2.736 0 50 EFAA COc1ccc(C)nc1NC(=O)c1ccc2c(c1)CCC(=O)N2C 119176316 AREVYBNTXFDXPJ-UHFFFAOYSA-N 325.368 2.560 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2ccc(F)cc2F)c1 225739225 MZKUGBRNZJVKPI-CRAIPNDOSA-N 347.361 2.850 0 50 EFAA CCCn1ncc(C(=O)N[C@H]2CCCn3nc(CC)nc32)c1C1CC1 122182836 IAOLCCVUPLTHGU-AWEZNQCLSA-N 342.447 2.589 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)[C@H](c2ccccc2)CO1 241213347 KOGFOXSCQJLFBN-DOMZBBRYSA-N 335.354 2.750 0 50 EFAA COCCn1c(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc2ccccc21 131181104 LOFXVYLLGXYJLA-ZIAGYGMSSA-N 330.428 2.974 0 50 EFAA CC(C)N1CC[C@@H](NC(=O)c2ccon2)[C@H]1c1ccc(F)c(F)c1 253369250 AFWUREMAQYRYQF-GDBMZVCRSA-N 335.354 2.907 0 50 EFAA CN1C(=O)CC[C@H]1C(=O)N1CCC(c2cccc3cnccc23)CC1 369345828 SUVNIOWODVSZAL-SFHVURJKSA-N 337.423 2.562 0 50 EFAA Cc1oc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1C(=O)O 377144911 MGYAGBOFHPRPPW-GFCCVEGCSA-N 329.352 2.859 0 50 EFAA O=S(=O)(Nc1cnn(C2CCC2)c1)c1ccc2ncccc2c1 901980691 VPHFNUHIJGPGIS-UHFFFAOYSA-N 328.397 2.957 0 50 EFAA CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnc(C)n2C)CC1 913790870 JNLSMRONYRDFJR-KRWDZBQOSA-N 344.434 2.777 0 50 EFAA C[C@H](NC(=O)c1cn(C)c(=O)n1C)c1cc(Cl)cc(Cl)c1F 830387390 PMAQYOROCNGUFI-ZETCQYMHSA-N 346.189 2.661 0 50 EFAA O=C(NCc1nc2c(s1)COCC2)Nc1cccc(C2CC2)n1 931552090 FFTDYUDOTLRPQQ-UHFFFAOYSA-N 330.413 2.810 0 50 EFAA Cc1cc2nccc(NC(=O)NC3([C@H]4CCCCO4)CCC3)n2n1 932452845 GHNSPAKHRDHUBT-CYBMUJFWSA-N 329.404 2.651 0 50 EFAA CCn1cnc2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2c1=O 15108861 ABBRQEIVBPGBHH-UHFFFAOYSA-N 336.395 2.735 0 50 EFAA O=C(O)CCN(Cc1cccnc1)C(=O)N1CCCc2ccccc21 2325780896 WWDBMZGERFATLN-UHFFFAOYSA-N 339.395 2.931 0 50 EFAA Cc1nn2c(c1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1)CCCC2 2325798628 JCPLXFTVDQZPDG-KRWDZBQOSA-N 349.438 2.896 0 50 EFAA COc1ccccc1CC(=O)N1CCN(c2ccc(F)cc2)CC1 60805 BEYBRCDRYWDNKT-UHFFFAOYSA-N 328.387 2.726 0 50 EFAA O=C(NCc1ccco1)[C@H]1CC(c2cccc(Br)c2)=NO1 614585 FHUPWWRIQRMSBI-CQSZACIVSA-N 349.184 2.852 0 50 EFAA CCCOc1ccc(OCCN2CCC[C@]23CCCNC3=O)cc1 2356149309 UIVYIISBONOXTI-IBGZPJMESA-N 332.444 2.599 0 50 EFAA Cn1cnnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 2869371 KRGPKOAWCCZQGY-UHFFFAOYSA-N 349.416 2.809 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(CC(=O)O)cc1 4331322 BHFUMEFSDYBZPR-KRWDZBQOSA-N 343.335 2.612 0 50 EFAA CN(C(=O)c1ccc(O)cc1O)C1CCN(Cc2ccccc2)CC1 113092345 XJMQPWRVDYSFRQ-UHFFFAOYSA-N 340.423 2.834 0 50 EFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 59741053 XYOMFZCVKYCSGC-OAHLLOKOSA-N 334.435 2.769 0 50 EFAA C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCN1C 247392176 MBGBYOKQQJHKLJ-HOJAQTOUSA-N 343.515 2.840 0 50 EFAA Cc1nsc(NC(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)n1 55133135 KEYIDHIUFGXQCJ-JTQLQIEISA-N 336.421 2.764 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)c1[nH]nc2c1C[C@@H](C)CC2)C(C)C 55280812 GTTQTTXIKXXROZ-LBPRGKRZSA-N 343.475 2.936 0 50 EFAA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc(Br)cc1 20058928 YHNOBRWBDPYSQK-HZPDHXFCSA-N 348.244 2.803 0 50 EFAA CCn1cnnc1[C@@H](C)NC(=O)c1nc(-c2ccccc2)cs1 67787611 UHMNTBNUYYHHDK-LLVKDONJSA-N 327.413 2.913 0 50 EFAA Cc1cccn2c(CNC(=O)[C@H](C)n3ccnc3C(C)C)cnc12 65457813 UVDICDXRRBZPCX-AWEZNQCLSA-N 325.416 2.840 0 50 EFAA CC(C)Cn1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 282510941 LBDDHTPCIRMUQO-IAGOWNOFSA-N 331.391 2.626 0 50 EFAA Cc1cnc(NC(=O)NCC(=O)N2CCCc3ccccc32)s1 140757957 SSIBWARVRSDTNO-UHFFFAOYSA-N 330.413 2.552 0 50 EFAA CCCc1n[nH]c(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)n1 23478154 IOOUOZQTOGEOPU-HNNXBMFYSA-N 343.431 2.970 0 50 EFAA Cc1cc(OC(F)F)c(C)cc1NC(=O)N1CCC[C@H](C(N)=O)C1 252478988 AYTJCKGLHGPQCP-NSHDSACASA-N 341.358 2.634 0 50 EFAA O=C(NCCc1ccc(Cl)s1)N[C@H]1CCN2CCCC[C@@H]12 229816356 ZQDFAFLRLMCCJH-STQMWFEESA-N 327.881 2.870 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccccn2)ccc1Br 37385865 ICPRSELLKWDYAG-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA C[C@](O)(CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C(F)(F)F 253397423 YXRRIJLELPBEHV-KWQFWETISA-N 345.287 2.921 0 50 EFAA CO[C@](C)(CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)C1CC1 253430012 WCFZWMJOAZXJHS-JOKNJTHLSA-N 330.428 2.826 0 50 EFAA COC(=O)CCc1ccc(NC(=O)[C@@H]2Cc3cccc(F)c3O2)cc1 328587332 CKFGGFPFVRFIAI-INIZCTEOSA-N 343.354 2.874 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)C1 328612395 ORNZNYRYAJAMDZ-XJFOESAGSA-N 347.440 2.840 0 50 EFAA CCOCc1nc2c(c(N[C@@H](CC)c3cccnc3)n1)CCNCC2 72470509 ARFKXYCSUIGEJP-INIZCTEOSA-N 341.459 2.660 0 50 EFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 257365702 HGJGCWUSEUPFBJ-MJBXVCDLSA-N 347.850 2.583 0 50 EFAA COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O 329539284 VXWFYMSJBGKFFQ-DLBZAZTESA-N 345.439 2.533 0 50 EFAA CC(C)(C)c1nnc2ccc(N3CCC[C@@H]3C3CCOCC3)nn12 330024316 AHDXTJJQLRJRCY-CQSZACIVSA-N 329.448 2.817 0 50 EFAA O=C(Cc1ccc(O)c(F)c1)N1CCCC[C@H]1CCn1ccnc1 77437396 GWOVFVDYJQJSRI-HNNXBMFYSA-N 331.391 2.742 0 50 EFAA C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)c2ccccc2N(C)C1=O 365571719 JJMFOPKIUYZBRP-AWEZNQCLSA-N 348.406 2.523 0 50 EFAA Cc1cnc2c(c1)N(C(=O)c1nc(C(C)C)ncc1Cl)CCO2 127217533 YSMFXSIHEKSTMR-UHFFFAOYSA-N 332.791 2.996 0 50 EFAA Cc1noc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)nc2C)n1 284846606 KGORSGQMJFZGGB-UHFFFAOYSA-N 328.294 2.765 0 50 EFAA O=C(c1c[nH]c(=O)cc1O)N1CCCC[C@@H]1CCc1cccs1 77301169 NVOZRLMATVKILL-GFCCVEGCSA-N 332.425 2.770 0 50 EFAA Cc1[nH]c2ccc(C(=O)N3CCc4c(ncnc4N(C)C)C3)cc2c1C 71750034 HVCRZIZUDOZIJT-UHFFFAOYSA-N 349.438 2.839 0 50 EFAA CCOc1ccccc1OC1CCN(C(=O)[C@](C)(O)C2CC2)CC1 375943903 CAKHEHWTOOLSGI-LJQANCHMSA-N 333.428 2.616 0 50 EFAA O=C1OCC[C@@H]1N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 246367966 QWZRYVZARRQPHW-STQMWFEESA-N 334.174 2.821 0 50 EFAA CCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CC[C@H](C(=O)O)C3)ccc21 263203783 KKLONXBJJLXXFC-KGLIPLIRSA-N 344.411 2.815 0 50 EFAA CCCN(C(=O)c1cnc(C(=O)O)cn1)[C@@H]1CCc2ccccc2C1 263297423 SUVMIHKFMCYSEK-OAHLLOKOSA-N 339.395 2.585 0 50 EFAA CCC(C)(C)c1ccc(CNC(=O)N[C@@H](CO)c2ccnn2C)cc1 458574869 OVDQVTNJUZEJAJ-INIZCTEOSA-N 344.459 2.641 0 50 EFAA O=C(O)c1cccc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)n1 263412868 MXDXCZLYVGTNPL-SNVBAGLBSA-N 345.321 2.525 0 50 EFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(OCC(=O)O)c1 263572197 KPMNEVRCCAMROR-LBPRGKRZSA-N 345.317 2.953 0 50 EFAA CN(C(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1CCNC1 179065528 OVOCWYFWNIMVFZ-INIZCTEOSA-N 328.387 2.839 0 50 EFAA O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)N1CCCC1 82120923 GUUVVECNNSRWMG-UHFFFAOYSA-N 345.491 2.727 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(-c2cccnc2)on1 265571946 LRGZORWJSVXJIJ-DFBGVHRSSA-N 341.367 2.595 0 50 EFAA CCOc1ccc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)o1 222462696 ILKDKTFFTOVTRJ-UHFFFAOYSA-N 329.400 2.628 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2nc(Cc3cccs3)no2)on1 91746527 VVVVUGTUYYFKKZ-UHFFFAOYSA-N 346.412 2.838 0 50 EFAA CN1CCC[C@H]2CN(CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 230182181 AZXCNRWFSJJBRE-VQTJNVASSA-N 349.563 2.685 0 50 EFAA Cc1cc2cccc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)c2o1 97505931 LGSZHVCGNGAWSB-SFHVURJKSA-N 348.402 2.925 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)CCSCc3ccccc3)C2)C1=O 91636520 BDKCTQNMCHWBDZ-IBGZPJMESA-N 346.496 2.781 0 50 EFAA O=C1[C@H]2CC[C@H](CN(C3Cc4ccccc4C3)C2)N1Cc1ccccn1 91691353 SRXJAYYEHZKKQX-AZUAARDMSA-N 347.462 2.672 0 50 EFAA Cc1nonc1CN1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 91621178 JMRVUPSLANUQNJ-SFHVURJKSA-N 329.400 2.952 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 294096839 BKCMHROCKHXSIW-QGZVFWFLSA-N 339.439 2.853 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)[nH]n2)s1 91877110 GAAIMSBBOABZSB-DOTOQJQBSA-N 339.420 2.835 0 50 EFAA CCOc1ccncc1S(=O)(=O)N1CCCN(C)c2ccccc21 295715802 UYCXMLCFIDQOBO-UHFFFAOYSA-N 347.440 2.516 0 50 EFAA CCn1cc([C@H]2CN(C(=O)c3ccc(C4CC4)nc3C)CCO2)cn1 295704135 MTDBPQRCDZJAOW-GOSISDBHSA-N 340.427 2.698 0 50 EFAA COC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C(=O)OC 268206378 MYGBFZCJIUWPCD-VXGBXAGGSA-N 346.383 2.524 0 50 EFAA O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CC[C@@H](O)CC1 244673879 HXIOSUABHVNSAD-BJHJDKERSA-N 335.835 2.816 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1nc2c(s1)CCCC2 244719187 LYMRAUCMKLIXTG-AWEZNQCLSA-N 341.436 2.513 0 50 EFAA O=C1OCC2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)O1 252504534 VJWBUPYVJJAWDQ-UHFFFAOYSA-N 344.411 2.819 0 50 EFAA O=C(Cn1cnc2ccccc21)NC[C@@H](c1ccccc1)N1CCCC1 298166092 PJXOFJLOCPNFKV-FQEVSTJZSA-N 348.450 2.990 0 50 EFAA CCn1ncc2ccc(NC[C@@H]3CCO[C@H]3c3ccnn3C)cc21 299742764 KEOIQBZIOMUUTI-KBXCAEBGSA-N 325.416 2.979 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN([C@@H](C(N)=O)c3ccccc3)C1)CCCC2 299739740 AMFYWZGLMARCLO-VQIMIIECSA-N 338.455 2.544 0 50 EFAA CN1C[C@@H](C(=O)NCCc2ccc3[nH]ccc3c2)[C@H](C(F)(F)F)C1 299743613 LQFWHJGHOOCWQS-ZIAGYGMSSA-N 339.361 2.567 0 50 EFAA C[C@H]1CCC(C)(C)N1C(=O)NCc1ccc(Cn2cncn2)cc1 864095402 JXKBLHFUTIKXOQ-AWEZNQCLSA-N 327.432 2.799 0 50 EFAA COCCOc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 268953205 UZVNXBHFVDQNTB-XKQJLSEDSA-N 347.411 2.570 0 50 EFAA CC(C)C[C@@]1(CO)CCCN(C(=O)NCCCNc2cccnc2)C1 534660608 VRWGJQHFPGQXMZ-IBGZPJMESA-N 348.491 2.714 0 50 EFAA Cc1cncnc1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 299794791 KNVPFCNZPSOWGJ-KRWDZBQOSA-N 345.830 2.878 0 50 EFAA Cc1cc(N)n(CC(=O)N2CCC(Sc3ccccc3C)CC2)n1 299798796 UFKWSHFQGZAVGY-UHFFFAOYSA-N 344.484 2.865 0 50 EFAA Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)o1 299787390 WIJPYSCACRSMSX-CYBMUJFWSA-N 343.412 2.710 0 50 EFAA Cc1[nH]nc(C(F)(F)F)c1-c1ccc(C(=O)N(C)CCCO)cc1 584884984 JRSVSJPVQHROCF-UHFFFAOYSA-N 341.333 2.858 0 50 EFAA C[C@H](CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)N1CCCCC1 584886394 VAWASKRVITZLSA-CYBMUJFWSA-N 347.438 2.718 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 670473386 LYSYRLVJYFZHQD-GFCCVEGCSA-N 347.440 2.894 0 50 EFAA C[C@@H](c1ccccc1F)N(C)C(=O)c1cnc(C2CCNCC2)[nH]1 685942626 PYLFWWQTJHSVDL-LBPRGKRZSA-N 330.407 2.849 0 50 EFAA O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 940218912 RDHWSWUTASFGHH-GOSISDBHSA-N 326.440 2.646 0 50 EFAA COc1cc(CN2CCC[C@H](c3nc(C(=O)O)cs3)C2)sn1 1875283544 WDTGVSMVRHUALJ-VIFPVBQESA-N 339.442 2.686 0 50 EFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)CC2CC2)C1 1875277637 VVYXUWVCLZCGSB-LSDHHAIUSA-N 345.395 2.655 0 50 EFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cccc(OCC2CC2)c1 1875399680 HFYJYDQURUECMQ-DFQSSKMNSA-N 341.455 2.601 0 50 EFAA CS(=O)(=O)NC(=O)c1ccccc1-c1nc2ccccc2s1 1875390260 UKIPDGSKARSCRJ-UHFFFAOYSA-N 332.406 2.653 0 50 EFAA CO[C@@H]1C(C)(C)CN(C(=O)c2cccc(-n3ccnc3O)c2)C1(C)C 1875404305 DGPANDMKBSFTQC-MRXNPFEDSA-N 343.427 2.854 0 50 EFAA Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 885748258 LLBFWFFPVRIPBB-HNNXBMFYSA-N 344.436 2.503 0 50 EFAA O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1occc1Br 886706833 MVYSFOFLKHSYCH-OLZOCXBDSA-N 336.185 2.820 0 50 EFAA O=C(c1c[nH]nc1-c1cccnc1)N1CC[C@@H](Cc2nccs2)C1 890222402 AQLIKIIYUPVOQL-LBPRGKRZSA-N 339.424 2.633 0 50 EFAA Cc1sc(Cl)nc1C(=O)NCCn1cc(-c2ccccc2)nn1 1181339103 UNMWNUYYPRZQDA-UHFFFAOYSA-N 347.831 2.793 0 50 EFAA COCc1ccc([C@@H]2COCCN2c2cc(C)nc(C3CC3)n2)o1 895754454 OFNJPKKNKDUYLS-HNNXBMFYSA-N 329.400 2.980 0 50 EFAA Cc1cc2c(cc1Br)CN(c1ncnc3[nH]cnc13)CC2 896631718 DQJFQGGZVKBDAH-UHFFFAOYSA-N 344.216 2.987 0 50 EFAA O=C(CCc1ccnc2ccccc12)Nc1c[nH]nc1[C@@H]1CCNC1 1775961096 OKCYGLUDGFZBOH-CQSZACIVSA-N 335.411 2.606 0 50 EFAA O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cccc(-c2nn[nH]n2)c1 900037475 AGDXEMBDDXSKNT-CQSZACIVSA-N 327.388 2.545 0 50 EFAA CN1CCC(Cc2noc([C@@]34CC[C@@](C)([C@H](O)C3)C4(C)C)n2)CC1 1565525872 AQONLEXZRSSZSY-MDASCCDHSA-N 333.476 2.783 0 50 EFAA c1cn2nc(C3CC3)cc2c(N[C@H]2CCOC3(CCOCC3)C2)n1 631172778 LMZHVZKHKPMUCO-AWEZNQCLSA-N 328.416 2.747 0 50 EFAA Cc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)n1 276118611 YBGLUIALHRLUMD-CQSZACIVSA-N 341.415 2.536 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 276266698 GLXWGYWXSXBHPU-DNVCBOLYSA-N 348.512 2.933 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)Cc1ccncc1 170610953 YRBGWMBVOFUNJL-UHFFFAOYSA-N 342.214 2.827 0 50 EFAA O=C(CCOCC(F)(F)C(F)(F)F)N1CCO[C@H]2CCCC[C@H]21 170611080 XXZLFQPZUQVAGC-MNOVXSKESA-N 345.308 2.761 0 50 EFAA O=C(NCCC[C@@H]1CCCCO1)N1CCN(c2ccccc2)CC1 186599647 PIYZDEGVUDVQJP-SFHVURJKSA-N 331.460 2.868 0 50 EFAA O=C(c1cccc(Br)c1)N(CCCO)Cc1ccccn1 279955149 GUDLGNCQFHHHBU-UHFFFAOYSA-N 349.228 2.869 0 50 EFAA Cc1ccc([C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)c2ccccn2)cc1 280625085 QOMDHFPBVXSPJS-PKOBYXMFSA-N 337.423 2.654 0 50 EFAA C=CC(=O)NCCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 280681323 MKFFLTKEXPTWMZ-MQMHXKEQSA-N 340.345 2.760 0 50 EFAA O=C(NCC1(N2CCCCC2)CCOCC1)c1ccoc1C1CC1 281421535 YXNVCURPQMUZCE-UHFFFAOYSA-N 332.444 2.922 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCCN(C2CCCC2)CC1 187511043 JAOYPCMXQIPDPH-OAHLLOKOSA-N 346.475 2.811 0 50 EFAA CN(C)c1cc(C(=O)N[C@@H](CO)c2ccsc2)c2ccccc2n1 225390526 SIXDWRCXTWCKBX-INIZCTEOSA-N 341.436 2.826 0 50 EFAA C[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 188178170 CHTXJAVEPXHKRN-CMPLNLGQSA-N 346.258 2.594 0 50 EFAA C[C@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@H](C)CO 189714755 RORRRKGQSHBUGK-OLZOCXBDSA-N 328.412 2.534 0 50 EFAA Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)c1nn(C)c2c1CCCC2 641706261 CUEOVWXHFHEMHY-UHFFFAOYSA-N 349.438 2.526 0 50 EFAA CCO[C@@H]1C[C@@]2(NC(=O)N(C3CCC(C(F)F)CC3)C2=O)C1(C)C 642967172 MOVSVQAVVSPTPH-RWQXPOSDSA-N 344.402 2.936 0 50 EFAA O=C(NCCN1CCc2c(Cl)cccc2C1)NCc1ccccn1 190739600 SIJOAMOAYQPDPR-UHFFFAOYSA-N 344.846 2.593 0 50 EFAA COc1cccc(C(=O)NCCNC(=O)c2csc(Cl)c2)c1 191823273 HMIBPULUZBFCHL-UHFFFAOYSA-N 338.816 2.570 0 50 EFAA COC[C@H](CC(C)(C)C)NC(=O)[C@H](NC(=O)c1ccco1)C(C)C 654127506 JJRDXEFPXWOFHN-DZGCQCFKSA-N 338.448 2.601 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2ccc3c(c2)CCCO3)nc(O)n1 1506421965 MFFDJVLKULNFDM-UHFFFAOYSA-N 341.411 2.636 0 50 EFAA CCc1noc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1C 1529192393 VGMZJNCRMRZNEP-UHFFFAOYSA-N 334.372 2.752 0 50 EFAA CC(C)N1C(=O)CO[C@H](C(=O)N2[C@@H](C)CC[C@H]2C)[C@H]1c1ccccc1 1529099983 KOGYHBIVOMXNCJ-OHQAAIJDSA-N 344.455 2.763 0 50 EFAA Cc1ncc(CN(CCO)C(=O)c2cccc(Cl)c2Cl)[nH]1 1704312442 RZBUVEXBCFBNIH-UHFFFAOYSA-N 328.199 2.660 0 50 EFAA CC1=CC[C@H]2CN(C(=O)Cc3ccc(N4CCNC4=O)cc3)C[C@H]2C1 214989675 GOYHSZVPMOKDMB-DLBZAZTESA-N 339.439 2.573 0 50 EFAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC[C@H](C2(O)CC2)C1 1772816948 ZCPQXNQGZAGXGM-ZDUSSCGKSA-N 345.830 2.903 0 50 EFAA CC(C)[C@H](NS(=O)(=O)c1ccccc1)n1nnc2ccccc21 5285049 YRRYDNVUAFHQDM-MRXNPFEDSA-N 330.413 2.564 0 50 EFAA COCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12715824 CMSLLNPJULFVEX-IBGZPJMESA-N 334.435 2.677 0 50 EFAA CCCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1C 16622027 FZEFVHVTLQDOMZ-UHFFFAOYSA-N 347.440 2.673 0 50 EFAA CCN1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 19360358 XMLAJGLNEGGCFV-HXUWFJFHSA-N 340.467 2.731 0 50 EFAA CN(CCc1ccccc1)c1cnn(CCCc2cccnc2)c(=O)c1 19837377 GLNQRJLMKFQORW-UHFFFAOYSA-N 348.450 2.950 0 50 EFAA O=C(c1ccccc1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857684339 JOTVHFXAYNWJLV-HXUWFJFHSA-N 336.391 2.576 0 50 EFAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cccc(CC(F)(F)F)c1)C2 1875243662 QZLBWDHQGOEDRD-HOTGVXAUSA-N 328.378 2.554 0 50 EFAA O=C(NCCc1ncc[nH]1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 225607209 MCYSJAMSTBDRTD-ABAIWWIYSA-N 337.782 2.639 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)CCCc2csc3ccccc23)CCO1 238195463 NCGILYDJZQNZBY-CQSZACIVSA-N 347.436 2.926 0 50 EFAA CN(CC1CC(O)C1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 135352101 CNYGHRWFPIMCDF-UHFFFAOYSA-N 342.317 2.909 0 50 EFAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(Oc2ccncc2)c(Cl)c1 366552237 CCXIMZSJWCCYLU-STQMWFEESA-N 349.793 2.957 0 50 EFAA CC[C@@](NC(=O)[C@H](C)n1cccn1)(C(=O)O)c1ccc(Cl)cc1 262267328 YCMWVPSMJSAJPB-ZBEGNZNMSA-N 335.791 2.604 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC3CCC(C(=O)O)CC3)[nH]n2)cc1 262653111 KUERIRFJSPPWDD-UHFFFAOYSA-N 327.384 2.758 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)NCc1ccc(C(=O)O)cc1 263486963 PSXWIHKMALIDGN-CYBMUJFWSA-N 340.379 2.878 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 263426074 JRTRWNQJKXLVST-AWEZNQCLSA-N 328.368 2.628 0 50 EFAA CC(C)(C)C(=O)Nc1ccccc1C(=O)N[C@@H]1CCCn2ncnc21 843818293 VBSXAIDXKSOVII-CQSZACIVSA-N 341.415 2.528 0 50 EFAA Cc1cc(S(C)(=O)=O)ccc1NCc1cc(C(F)(F)F)nn1C 901384051 HZNBYCSMMXKDLU-UHFFFAOYSA-N 347.362 2.763 0 50 EFAA CC(C)n1nccc1CN[C@@H]1C[C@]2(CCNC2)Oc2ccccc21 904472610 NDAHXDJGHOHBQE-MJGOQNOKSA-N 326.444 2.810 0 50 EFAA Cc1cc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)cc2n[nH]cc12 1215976086 LZMJYNFSGUAFAO-KRWDZBQOSA-N 349.394 2.820 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cn2ccnc12 931554490 QIPIREWDFSEFDX-AWEZNQCLSA-N 338.415 2.788 0 50 EFAA O=C(Cn1ncc2cccnc21)Nc1ccc(Nc2ncccn2)cc1 1139647692 IWAWKLKOCNFUJX-UHFFFAOYSA-N 345.366 2.604 0 50 EFAA Cc1ccnn1CC(=O)NCc1ccccc1CN1CCC[C@H](C)C1 858514109 SKEZCIJZDQZSSH-INIZCTEOSA-N 340.471 2.740 0 50 EFAA CN(Cc1nc(-c2ccccc2)n[nH]1)C(=O)C[C@H]1NCc2ccccc21 2325774944 JONUFZKATBEKFQ-QGZVFWFLSA-N 347.422 2.665 0 50 EFAA COC(=O)c1cc(COC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)nn1C 2325792454 FEAJKTWHHCTLEW-HZPDHXFCSA-N 342.395 2.834 0 50 EFAA Cc1ncn(CCNC(=O)Nc2csc(-c3ccccn3)n2)c1C 2325807598 FLELBGARPORGNW-UHFFFAOYSA-N 342.428 2.840 0 50 EFAA O=C(CCC(=O)c1cccs1)NCCC(=O)NC1CCCCC1 137773931 ONHXXAOJUVEIEL-UHFFFAOYSA-N 336.457 2.666 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)COc2c(C)cccc2C)n1 118047 ZTELUUOLOBJBTL-UHFFFAOYSA-N 348.424 2.883 0 50 EFAA O=C(c1ccc(OC[C@H](O)CN2CCCCC2)cc1)N1CCCCC1 380785 YNMJSYITDYBNMR-GOSISDBHSA-N 346.471 2.538 0 50 EFAA CCCc1nn(CC(=O)N(c2ccccc2)C(C)C)c(=S)n1N 392194 PZRSCWVYBVUJMW-UHFFFAOYSA-N 333.461 2.522 0 50 EFAA CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1 3818815 CTHNKWFUDCMLIQ-UHFFFAOYSA-N 331.280 2.539 0 50 EFAA in-vitro COc1cc(CN2CCN(c3ccccc3F)CC2)cc(OC)c1O 55542966 KSNVNEBRVGXBPU-UHFFFAOYSA-N 346.402 2.871 0 50 EFAA Cc1occc1C(=O)Nc1ccc(C(=O)NCCc2c[nH]cn2)cc1 55133897 HTXNLACFKRGLII-UHFFFAOYSA-N 338.367 2.536 0 50 EFAA COC(=O)c1ccccc1C(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 55182710 WZNPEQIPTGDGIT-AWEZNQCLSA-N 326.396 2.880 0 50 EFAA COc1ccc2c(c1)C[C@@H](NCc1noc(-c3ccco3)n1)CC2 67790333 SKRSPZLSTFUKIB-AWEZNQCLSA-N 325.368 2.985 0 50 EFAA CC(C)[C@@H](O)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 67696762 QAUIMYOJCSHNCC-MRXNPFEDSA-N 334.803 2.897 0 50 EFAA CN(Cc1ncccc1C(=O)O)C[C@@H]1CCN(c2ccccc2)C1 65497336 JYGVKVZZVXENJL-HNNXBMFYSA-N 325.412 2.738 0 50 EFAA COCCn1cc2c(n1)[C@@H](NC(=O)[C@@H]1CCc3ccccc31)CCC2 332897020 VGMXTXWGCHBMNG-MSOLQXFVSA-N 339.439 2.753 0 50 EFAA O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1nncs1 354177579 APSPSFTWQSHEQE-UHFFFAOYSA-N 328.184 2.674 0 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CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@]2(CCCOC2)C1 368503749 MYQDUMBPJPBLGN-LJQANCHMSA-N 334.435 2.677 0 50 EFAA Cn1nccc1[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 371770434 ULTAPSYWDCGWQX-INIZCTEOSA-N 337.427 2.892 0 50 EFAA Cc1csc([C@@H]2CN(C(=O)Nc3cc(C)n(C(C)C)n3)CCO2)n1 333483200 FVBWTVWPDGHQFM-ZDUSSCGKSA-N 349.460 3.143 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)cn1 333678430 DUGRWUGNNWFPNG-ONMISFSYSA-N 344.459 2.542 0 50 EFAA O=C(NCc1cnc(C2CC2)o1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 333680887 PJOZNDQHZJUPSB-PBHICJAKSA-N 344.459 2.710 0 50 EFAA CNc1nc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)cs1 77471376 IYSFMVIYMUYEIK-MRXNPFEDSA-N 345.468 2.641 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 237464937 XAFLFMJAODVGQS-NWDGAFQWSA-N 328.815 2.834 0 50 EFAA Cc1nn(C)c(CN2CCC[C@H](c3cc[nH]n3)C2)c1Br 375689847 FYFUEFZYJABENV-NSHDSACASA-N 338.253 2.594 0 50 EFAA N[C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 72171511 VPQRESUXZOXIBE-KRWDZBQOSA-N 349.438 2.844 0 50 EFAA Cc1nc2ccc(N3CCC(Oc4ccc(F)cc4F)CC3)nn2n1 286190679 FCIXMSLXWDGZIL-UHFFFAOYSA-N 345.353 2.759 0 50 EFAA O=C(NCc1c(F)cc(F)c(F)c1F)N1CC[C@H]([C@@H]2CCOC2)C1 240540854 GPSPCCMMTDTDCG-VHSXEESVSA-N 346.324 2.811 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H](C)[C@H]1CCCO1 245383142 NJQICVVSVQUEDR-RLSLPTNOSA-N 334.391 2.718 0 50 EFAA CCOCCCC(=O)Nc1ccc(I)c(C)n1 176104278 RSOBHXDSRGUFGA-UHFFFAOYSA-N 348.184 2.750 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 457855032 HTFQYTGWMQJWRC-HDICACEKSA-N 327.428 2.846 0 50 EFAA Cc1ccc2c(=O)cc(C(=O)N3CCCC[C@H](N(C)C)C3)oc2c1 82116326 HBHMECWXJRXFKT-AWEZNQCLSA-N 328.412 2.658 0 50 EFAA COc1ccc(Br)c(CC(CC(=O)O)CC(=O)O)c1 44123590 CATXNMWRZRREOE-UHFFFAOYSA-N 331.162 2.566 0 50 EFAA CN(C)c1cccc(C(=O)N2CCC(OCc3cccnc3)CC2)c1 82087535 DOFJNKDKUMPGCH-UHFFFAOYSA-N 339.439 2.969 0 50 EFAA O=C(Cn1ccnc1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 19338184 AIEQEPQUNKLMHV-KRWDZBQOSA-N 326.787 2.837 0 50 EFAA O=C(Cn1ncc2ccccc21)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225538983 PSRSPTFCLIHLCE-AEFFLSMTSA-N 339.370 2.510 0 50 EFAA O=C1C[C@@]2(CCN(C(=O)Nc3ccccc3-c3ccccc3)C2)C(=O)N1 82114999 WMVUHIOAIKKZFQ-HXUWFJFHSA-N 349.390 2.624 0 50 EFAA O=C(Nc1ccccc1-c1ccccc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239235891 WYABQGRVQPUFTQ-TVFCKZIOSA-N 335.359 2.946 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)NCCCc1nnc2ccccn12 91847313 KOQQXKYWQMMEBA-INIZCTEOSA-N 334.423 2.898 0 50 EFAA CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1nc(C)c(C)s1 426612311 HFMRPOMKBPVXBS-AWEZNQCLSA-N 333.457 2.888 0 50 EFAA C[C@H](CNC(=O)c1cc(C(F)(F)F)nn1C)N(C)c1ccccc1 97619187 MKBISOQUDZRRAE-LLVKDONJSA-N 340.349 2.694 0 50 EFAA O=C(O)C1CCC(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 238011412 RYKYBZWNPMWBIS-ABHNRTSZSA-N 344.455 2.801 0 50 EFAA Cc1nc(C)c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)s1 95517882 LTSNIOKYEPYXMK-RDTXWAMCSA-N 344.436 2.823 0 50 EFAA O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@@H]1CCOC1 97729819 OOOIQQZCWDVGHL-YMAMQOFZSA-N 327.428 2.989 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(CCCOc2ccc(F)cc2)C1 92081018 AWJXIPGDMUVOAP-SFHVURJKSA-N 339.407 2.798 0 50 EFAA CN1CCC2(CC1)CC(=O)N(Cc1cncn1C1CCCCC1)C2 95502733 FKLULFYLJJQCHR-UHFFFAOYSA-N 330.476 2.833 0 50 EFAA Cc1cccc(C)c1-n1nnnc1Cn1cnc2c1C[C@@H](C)[C@@H](C)C2 295675002 BQJQVFRXDDAZHO-LSDHHAIUSA-N 336.443 2.895 0 50 EFAA C[C@@H](CCC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)N1CCOCC1 244716023 LGYSUXIZRFLDIE-AWEZNQCLSA-N 347.434 2.766 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)C[C@H]1C(F)(F)F 299746366 WWMKXDRNWGXKNH-ZIAGYGMSSA-N 339.317 2.567 0 50 EFAA CCN(Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CN)cc1)C1CC1 299740195 WUMFHOBIZZXBQD-BEFAXECRSA-N 329.488 2.870 0 50 EFAA CC(C)c1ccc(CCCNC(=O)N2CCC[C@](O)(CO)CC2)cc1 534673818 OIMNZMNGADBQDX-HXUWFJFHSA-N 348.487 2.662 0 50 EFAA CC(C)(C)SCCNC(=O)N(CCO)Cc1ccc(F)cc1 534661249 JHFRWXWZMIQZOA-UHFFFAOYSA-N 328.453 2.861 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c(OC)c1 262578106 PJEQNSGJGSNSHD-QWHCGFSZSA-N 335.400 2.553 0 50 EFAA O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)N1CCN2CCC[C@H]2C1 299796598 POZXTWZFDLOWPU-AWEZNQCLSA-N 345.834 2.838 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)n1 299772306 XVNLSXFKLXSZST-LLVKDONJSA-N 329.400 2.739 0 50 EFAA CC[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cn1 299792192 DFNJXHHVTTUHMJ-MRXNPFEDSA-N 346.452 2.604 0 50 EFAA CCc1nccn1CC1(CNc2cc([C@@H]3CCOC3)ncn2)CC1 299792808 FUSSWWAOILDBDP-CQSZACIVSA-N 327.432 2.632 0 50 EFAA CC(C)c1nc([C@H]2CN(c3ccc(C(=O)O)cn3)C[C@@H]2C2CC2)n[nH]1 952851730 UIGSPTVCUJTDSC-KGLIPLIRSA-N 341.415 2.651 0 50 EFAA O=C(O)C1(C(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)CC1 1875264014 MSWVOTKBZXSDCR-UHFFFAOYSA-N 334.278 2.955 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1 1875373919 UNLFSCPPVIRHNQ-CQSZACIVSA-N 338.354 2.679 0 50 EFAA Cc1ccccc1CNC(=O)N1CCC[C@@]12CCC[S@](=N)(=O)C2 1875393261 KDBKLWZNYSLNMR-SBUREZEXSA-N 335.473 2.880 0 50 EFAA COc1cccc(F)c1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314503 BMBDSKHVKJMOGH-MNOVXSKESA-N 347.390 2.520 0 50 EFAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2[nH]1 952987804 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LQEBWPDTFOPSQT-NXHRZFHOSA-N 344.455 2.826 0 50 EFAA COc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)n1 171827019 JGIQWGQJHOFCNK-HNNXBMFYSA-N 327.432 2.745 0 50 EFAA c1ccc(Cn2cc(Nc3ncnc4c3ncn4C3CC3)cn2)nc1 644861527 SLIFMLWBSVCHOX-UHFFFAOYSA-N 332.371 2.545 0 50 EFAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(-n3nccn3)nc2)C1 755948089 VIOGCCXDUFPJBS-XJKSGUPXSA-N 349.398 2.672 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c2ccccc12 193574339 PPDLTSGOJLFAQO-CQSZACIVSA-N 326.396 2.589 0 50 EFAA c1ccc(CN2C[C@@H]3CC[C@@H](Nc4ncnc5nccnc45)[C@H]3C2)cc1 680018196 YUPNQAFZFYBADV-YESZJQIVSA-N 346.438 2.742 0 50 EFAA O=C1CN([C@@H]2CCN(c3ccccc3)C2)CCN1CCc1ccccc1 1506407570 XDMJIFVKECJGJI-OAQYLSRUSA-N 349.478 2.652 0 50 EFAA CCCn1nc(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 1529195712 NVDFVPZEZYELSN-JKSUJKDBSA-N 346.475 2.969 0 50 EFAA Cc1cc(NC[C@H](O)c2cccc(O)c2)nc(N2CCCCC2)n1 1529197250 MMWWPSLYOKDJOO-INIZCTEOSA-N 328.416 2.626 0 50 EFAA Cc1ccc([C@H](Nc2cc3nncn3c(N)n2)c2cccnc2)cc1C 1529198624 GQZMLHXPHQGSCK-SFHVURJKSA-N 345.410 2.920 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704280504 LFVKPCZEZKHSLR-SJLPKXTDSA-N 344.842 2.730 0 50 EFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 222133902 DTGAFMDUWCWUTN-SJORKVTESA-N 330.476 2.516 0 50 EFAA Cc1cc(N2CCC3(CC2)CN(C)CCO3)c2cc(F)ccc2n1 1772812964 SDEBBIZXZSBDNZ-UHFFFAOYSA-N 329.419 2.983 0 50 EFAA CCSC[C@@H](C)N1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 1775982735 XQHCMTCDAURUKM-CQSZACIVSA-N 348.516 2.644 0 50 EFAA c1ccc(Cn2c(NCCN3CCOCC3)nc3ccccc32)cc1 5286362 BJQXCGXBEZTQDQ-UHFFFAOYSA-N 336.439 2.829 0 50 EFAA COc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1 11690464 NJMMNVXTBADFAY-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA COCCNC(=O)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 12194716 QWRCIFMRIRCSAS-GOSISDBHSA-N 338.407 2.726 0 50 EFAA CSCC(=O)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 12217176 PCYDAQQNKMURHY-GFCCVEGCSA-N 332.400 2.670 0 50 EFAA CC(C)CCN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 14541677 IPDUXYRDEZDAPM-OAHLLOKOSA-N 332.492 2.539 0 50 EFAA COC(=O)c1cc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)o1 19795144 WMXUBOMBCQPXRQ-GFCCVEGCSA-N 345.399 2.737 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCC2 220349944 GFCSZEWGASSUAZ-ZCNNSNEGSA-N 336.435 2.682 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(C(=O)C1CCCC1)C[C@@H]2C(=O)O 1857694850 YOMJZXCWLLJCBQ-QGZVFWFLSA-N 348.487 2.768 0 50 EFAA COC[C@H](c1ccnn1C)n1ccnc1-c1nc2ccccc2nc1C 1857699528 RMDBDWZGFOFSOO-QGZVFWFLSA-N 348.410 2.771 0 50 EFAA CC(C)c1noc([C@H](N[C@@H](C)CCn2cccn2)C2CCOCC2)n1 328617230 CMZUXDXDSDWGEV-GOEBONIOSA-N 347.463 2.926 0 50 EFAA CC(C)(C(=O)NC[C@H]1CCCCN1CCO)c1cccc(Cl)c1 331345233 VFCIKUSKLWDBFR-MRXNPFEDSA-N 338.879 2.581 0 50 EFAA CO[C@H]1C[C@@H](CO)N(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)C1 345339362 ZFWOHWHKQDKBEX-HOTGVXAUSA-N 339.863 2.907 0 50 EFAA C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 253370110 MHJHLMJYDAOCEW-IWKCEXAMSA-N 328.456 2.975 0 50 EFAA CC(C)c1cc(C(=O)N2CCN[C@H](C)C2)c2cnn(C(C)C)c2n1 155068731 MBTJFXTUZHCAIE-CYBMUJFWSA-N 329.448 2.570 0 50 EFAA O=C(Nc1cccc2nccn12)[C@H]1CCCN1C(=O)Cc1ccccc1 266095701 NCSPVLQUGNJZIR-MRXNPFEDSA-N 348.406 2.507 0 50 EFAA COC1(c2nc(-c3cccc(-n4cnnn4)c3)no2)CCCCCC1 904095654 IUHJQGGEFJKPRS-UHFFFAOYSA-N 340.387 2.908 0 50 EFAA CCCc1nc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)no1 818024865 UMXJBRZYGQALRN-APWZRJJASA-N 345.443 2.903 0 50 EFAA CS(=O)(=O)N1CC[C@@H](CSc2nc3ccc(F)cc3s2)C1 918932085 OHLZAGSTQYEAPA-SECBINFHSA-N 346.474 2.809 0 50 EFAA Cc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)c(C)n1-c1cnn(C)c1 823735726 GOHCVPDHHBMYNJ-INIZCTEOSA-N 345.491 2.534 0 50 EFAA CCc1c(NC(=O)N2CC[C@H](c3noc(C)n3)C2)cnn1CC(C)C 930559131 NKZUDOWXEJUZAW-ZDUSSCGKSA-N 346.435 2.814 0 50 EFAA C[C@H]1CN(CCNC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 930623315 PNCMDCHZNMXPME-HNNXBMFYSA-N 340.427 2.591 0 50 EFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1OC 69711 NGZCQSQYVHZGON-OAHLLOKOSA-N 348.399 2.531 0 50 EFAA COc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)cc1 109800 FCYQCOOCXNAJMA-UHFFFAOYSA-N 337.383 2.604 0 50 EFAA Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2cccs2)n1 1422266 MDRKOSZZXCBNGX-UHFFFAOYSA-N 330.291 2.827 0 50 EFAA Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 2870125 XISTYEHPOZHAPP-UHFFFAOYSA-N 346.770 2.632 0 50 EFAA O=C(O)c1cc(C2CCN(Cc3ccc4c(c3)CCOC4)CC2)[nH]n1 2325787382 XQRXVFGIFYIOKJ-UHFFFAOYSA-N 341.411 2.560 0 50 EFAA C[C@@](O)(CCNC(=O)c1ccc2cc(C(=O)O)ccc2c1)C1CC1 2325788698 XVJUQHCJXGJPTH-LJQANCHMSA-N 327.380 2.819 0 50 EFAA CCN(C1(C(=O)O)CC1)S(=O)(=O)c1ccccc1-c1ccccc1 2325875371 PFGTVFXQNQCTOG-UHFFFAOYSA-N 345.420 2.981 0 50 EFAA CCC[C@H](CC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 873513276 XTFOCCCNABSBBN-VIFPVBQESA-N 338.351 2.732 0 50 EFAA CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN2)cc1 225447043 HFHWWCRPJVPLCB-FQEVSTJZSA-N 337.467 2.783 0 50 EFAA O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 57038 BABUDAQOHSIBJR-GOSISDBHSA-N 329.363 2.803 0 50 EFAA NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 462108 XUDGXVIFCGMYAZ-UHFFFAOYSA-N 336.435 2.933 0 50 EFAA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2 3432421 SIUSGZIWJYJFJF-LBPRGKRZSA-N 331.393 2.598 0 50 EFAA Brc1cc2c(cc1COn1nnc3ccccc31)OCO2 4748578 QZCGMKDEONJNEE-UHFFFAOYSA-N 348.156 2.551 0 50 EFAA COc1cc(C(=O)O[C@H](C)CN2CCCCC2)cc(OC)c1OC 4802797 WWXABXZDLSHTRK-CYBMUJFWSA-N 337.416 2.744 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cc(Cl)cn2C)c1 282555132 QYHAKGFDCXMSLX-DZGCQCFKSA-N 334.803 2.635 0 50 EFAA CCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 55255618 RJABBWIXQZJVFP-NADMHLTPSA-N 333.453 2.887 0 50 EFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C)ccc2F)C1 347950794 NUUCJJAUOJGWHE-BXUZGUMPSA-N 346.324 2.806 0 50 EFAA CCCc1[nH]c([C@H]2CC(=O)N(CCN(C)C)C2)nc1-c1ccccc1 23429168 ILBZZYZOAFVTEC-INIZCTEOSA-N 340.471 2.907 0 50 EFAA Cc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)N2CCOCC2)cc1 20058322 IBVDEYCKBGNESF-IBGZPJMESA-N 345.464 2.842 0 50 EFAA CSCc1noc(CNc2cc(C)nc(-c3cccnc3)n2)n1 65459857 ZWCFGYPMNCQIOZ-UHFFFAOYSA-N 328.401 2.705 0 50 EFAA O=C(CN1CCOCC1)Nc1cc(Cl)ccc1OCC1CCC1 252494539 NYBXCTYAMPLDDL-UHFFFAOYSA-N 338.835 2.790 0 50 EFAA C[C@H](Cn1cncn1)n1cnc2sc3c(c2c1=O)CCCCC3 32540575 BHJSHNLTYPOTCA-LLVKDONJSA-N 329.429 2.580 0 50 EFAA Cc1ccc(CNC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 72121848 MMPULCCBKYYSTO-IBGZPJMESA-N 345.487 2.781 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@]2(CCOC2)C1 185339786 GBCBTQPAOVAXOA-CQSZACIVSA-N 330.306 2.729 0 50 EFAA COCC[C@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1 253430691 XNEBFNQPMKJVSX-GFCCVEGCSA-N 335.429 2.637 0 50 EFAA CSCC[C@H](O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 219990321 WUBLKTHRNBDFHG-INIZCTEOSA-N 325.449 2.721 0 50 EFAA Cn1ncc(Cl)c1CNc1nnc([C@@H]2COc3ccccc3O2)o1 128787025 WHYCXZVYBDCACW-ZDUSSCGKSA-N 347.762 2.581 0 50 EFAA CC(C)[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CCC(=O)N1CC1CC1 71721704 RXHKHFZDPBDQLF-HNNXBMFYSA-N 348.491 2.836 0 50 EFAA FC(F)COC1CN(Cc2cnc3ccc(Br)cn23)C1 459589405 IKZBCIAROHBOFW-UHFFFAOYSA-N 346.175 2.563 0 50 EFAA Cc1noc(C)c1CN(Cc1cccnc1)[C@H]1CN2CCC1CC2 72145348 KHWXMEPNPMXQHF-IBGZPJMESA-N 326.444 2.783 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@@H]2CCc3ccccc32)C(=O)O)cc1F 263025117 MKPSKIJJDYBQPH-RHSMWYFYSA-N 343.354 2.806 0 50 EFAA O=C1NCCN1c1ccc(C(=O)N2CC[C@@H]2c2ccccc2F)cc1 374030121 CZJBSAXXLGVONE-QGZVFWFLSA-N 339.370 2.943 0 50 EFAA NC(=O)Cc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2N)cc1 374008658 GGOYWCHIICNIFZ-UHFFFAOYSA-N 346.390 2.611 0 50 EFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(-n2cnnc2)cc1 216001305 JFJSZPCSYMEJQE-CQSZACIVSA-N 347.300 2.696 0 50 EFAA CCOC(=O)c1nn(-c2ccccc2)cc1CN(C)[C@@H]1CCSC1 130532671 CDDSADAPSRSSJF-MRXNPFEDSA-N 345.468 2.986 0 50 EFAA CSc1nccc(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)n1 71735894 UTOCJKMXRJETPS-AWEZNQCLSA-N 334.489 2.672 0 50 EFAA C[C@]1(F)CCCN(C(=O)NCc2ccc(Cn3ccnc3)cc2)C1 454342312 RSMZOPGNGXTWPY-SFHVURJKSA-N 330.407 2.965 0 50 EFAA COCc1nc2cc(NC(=O)c3[nH]nc4c3CCCC4)ccc2o1 175110281 ZHFOIRSPNBNZEK-UHFFFAOYSA-N 326.356 2.828 0 50 EFAA CN1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@H](c2ccccc2)C1 241776888 RTISAALRWXYSQI-IBGZPJMESA-N 337.427 2.564 0 50 EFAA Cc1noc2ncnc(N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)c12 241926429 UGCZYJIPWCAZFY-OLZOCXBDSA-N 329.404 2.519 0 50 EFAA Cc1c(Cl)c(C(=O)N(C/C=C/c2ccccc2)CCO)nn1C 216530179 OCBIVITXIAXWNN-RMKNXTFCSA-N 333.819 2.530 0 50 EFAA COC(=O)c1n[nH]cc1CN1CCC(Cc2ccccc2F)CC1 72154524 ZFNDPKMAOWJLAL-UHFFFAOYSA-N 331.391 2.790 0 50 EFAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-n2cnnc2)cc1 176598731 OHEOPOFZKAEPMT-OAHLLOKOSA-N 347.422 2.748 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 294096833 BKCMHROCKHXSIW-KRWDZBQOSA-N 339.439 2.853 0 50 EFAA CC(=O)c1ccc(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nc1 180434188 OMWJUWFBPIJLDC-GASCZTMLSA-N 331.460 2.610 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NCc1nc(C(C)(C)C)cs1 223086695 HMPCRACHBURWNR-ZDUSSCGKSA-N 348.468 2.805 0 50 EFAA COc1cc2c(N3CC[C@H](C(=O)N4CCCC4)C3)ccnc2cc1F 291206461 UWNAGUOJIIUVHZ-ZDUSSCGKSA-N 343.402 2.831 0 50 EFAA CN(CC(=O)N1CCCC[C@H]1c1nccs1)Cc1cccnc1 220513586 GHXJPELMFIUHBZ-HNNXBMFYSA-N 330.457 2.724 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)NCc3cc(-c4ccccc4)no3)C2)C1 291749044 ZNIDNUKGZNZDHX-LJQANCHMSA-N 340.427 2.579 0 50 EFAA Cn1c(CCN)nnc1SCc1cccc(OC(F)(F)F)c1 426707245 QNBVEJIEGJTSNZ-UHFFFAOYSA-N 332.351 2.507 0 50 EFAA O=C(NCc1cnc(C2CC2)o1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 333680890 PJOZNDQHZJUPSB-WMLDXEAASA-N 344.459 2.710 0 50 EFAA Cc1cc(C)cc(N2CCN(c3cccc([C@H](C)O)n3)CC2=O)c1 95525640 MVHCUTHBUHQSQP-HNNXBMFYSA-N 325.412 2.605 0 50 EFAA COc1ccc(Br)c(C(=O)NCC[C@@H](C)CCO)c1 295614441 QZPKFKSULFCKHP-SNVBAGLBSA-N 330.222 2.596 0 50 EFAA CC(C)(C[C@H]1CCCN(C(=O)/C=C/c2ccnc(Cl)c2)C1)C(N)=O 295795496 DSLRLLHHQXIGLV-VBROQKIQSA-N 349.862 2.888 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1ccc(S(C)(=O)=O)cc1)C2 95358109 FOGSJCYUUXBJIK-AWEZNQCLSA-N 332.421 2.893 0 50 EFAA CCc1cnc(N)nc1N(C)Cc1ccccc1CN1CCCC1 91695557 JSLYYXKQAJMGLI-UHFFFAOYSA-N 325.460 2.853 0 50 EFAA COc1cc(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)ncn1 297728944 KEQVCDGOBQXEJK-ZDUSSCGKSA-N 348.790 2.824 0 50 EFAA CC(C)n1cnnc1CN1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91645089 TZZMFQJVCKJSSP-IBGZPJMESA-N 345.491 2.616 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCOC2)C1 95368167 NIFFGSPYXDPDMY-OAHLLOKOSA-N 329.849 2.672 0 50 EFAA Cc1cccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)c1F 91871372 UXPGEWIVYHNCTH-UHFFFAOYSA-N 348.462 2.721 0 50 EFAA COc1cnc(CN2CCC(c3nc(C(C)C)no3)CC2)cc1O 244701212 KCFBHVTXNBKULX-UHFFFAOYSA-N 332.404 2.682 0 50 EFAA Cn1c(=O)c(CN2CC(Oc3ccccc3F)C2)cc2ccccc21 244673981 HZFWBQULYZVITH-UHFFFAOYSA-N 338.382 2.941 0 50 EFAA CCc1nc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)cs1 184752404 FOZLTHNUQYGTAL-MRXNPFEDSA-N 333.432 2.826 0 50 EFAA Cc1cc(CN(C)C(=O)NC[C@@H](c2sccc2C)N(C)C)on1 534581059 UNLTWRPGIQOGMZ-AWEZNQCLSA-N 336.461 2.797 0 50 EFAA Cc1ccc2nc(CN3Cc4cnc(CC(C)C)nc4C3)cc(=O)n2c1 299782850 GFSCMLRWEASWBB-UHFFFAOYSA-N 349.438 2.507 0 50 EFAA CCCn1nccc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 299777292 DJVOQIODXCLKDP-CQSZACIVSA-N 330.407 2.689 0 50 EFAA CCCc1nc2ccccc2n1[C@H](CC)c1nc(C)nn1CCO 823018904 RBXACYPLAFNNJD-OAHLLOKOSA-N 327.432 2.880 0 50 EFAA O=C(NCCCCN1CCCCCC1)c1cc(Cl)cnc1O 825605427 CLRFJDXPZANSGB-UHFFFAOYSA-N 325.840 2.827 0 50 EFAA CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(F)ccc(Cl)c2s1 869819871 JKIGYVVABGDKKQ-QMMMGPOBSA-N 327.768 2.648 0 50 EFAA O=c1c(Cl)c(N2CCCC2)cnn1Cc1ccc2nsnc2c1 1875281142 QXAWCPAQIZXMKX-UHFFFAOYSA-N 347.831 2.550 0 50 EFAA Cc1ccc(NC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1875275356 BEVOEWNKPWRQRB-UHFFFAOYSA-N 345.468 2.723 0 50 EFAA C[S@](=O)(=NC(=O)c1ncncc1Cl)c1cc(F)ccc1F 1875341935 PHNCVZKODAPFBL-OAQYLSRUSA-N 331.731 2.705 0 50 EFAA OC[C@@H]1CC2(CCN(c3cnc(-c4ccccc4)cn3)CC2)CO1 1875275888 JAFXTKSXMRMWOF-INIZCTEOSA-N 325.412 2.511 0 50 EFAA COC1(OC)CCOC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F 888095897 JWOHSRAQJKVYKY-GFCCVEGCSA-N 348.321 2.605 0 50 EFAA C[C@]1(C(F)F)CN(C(=O)Nc2cccc3c2COCC3)CCO1 888102127 DDMDXBZTSNNZHS-MRXNPFEDSA-N 326.343 2.647 0 50 EFAA Cn1cc(CN2CCC(Cn3ccnn3)CC2)c(C2CCCC2)n1 892241143 UMSGPWHEWHANOY-UHFFFAOYSA-N 328.464 2.581 0 50 EFAA CCN(CCC1CC1)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1776002388 ASOMDXWUAACVET-KRWDZBQOSA-N 343.471 2.651 0 50 EFAA COc1cc(Cl)cc2cc(C(=O)N[C@H]3CCOC[C@@H]3OC)oc12 1565514679 LYAVXEZDJCQYLD-FZMZJTMJSA-N 339.775 2.629 0 50 EFAA CC(C)Nc1cccc(C(=O)NCc2nnc(S)n2C2CC2)c1 170625213 FIALFEYKMAYBNU-UHFFFAOYSA-N 331.445 2.652 0 50 EFAA CCc1cc(O)nc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1 170662421 IEVJROMFOYKRTC-MYODQAERSA-N 333.457 2.675 0 50 EFAA O=C(c1cn[nH]c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 279459682 WAEAGKDSQFDOHE-AWEZNQCLSA-N 349.232 2.889 0 50 EFAA Cc1nc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)sc1C(=O)O 679399511 ATUUYSTXXZESIJ-NEPJUHHUSA-N 334.372 2.709 0 50 EFAA COCCCN(C(=O)c1ccnnc1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 408515860 RBEOKXJKUAIQAR-DFBDCSAJSA-N 329.444 2.780 0 50 EFAA N#CN(Cc1cc(=O)n2ccccc2n1)c1ccc(F)c(Cl)c1 225412332 JHZUFEXRMXWIES-UHFFFAOYSA-N 328.734 2.975 0 50 EFAA CC1=C(C(=O)Nc2cccc(-c3nnc(C)o3)c2)C(=O)OC1(C)C 741987275 KROAACDLWPLTGN-UHFFFAOYSA-N 327.340 2.635 0 50 EFAA Cc1c(C(=O)N2C[C@H](CN)C3(CCOCC3)C2)oc2c(F)cccc12 647079643 TUDMQKSQADWCQT-ZDUSSCGKSA-N 346.402 2.708 0 50 EFAA O=C1[C@@H](N[C@@H](CCO)c2ccco2)CCCN1c1ccccc1F 192788074 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COC(=O)[C@]1(C)[C@H](NC(=O)OC(C)(C)C)CO[C@@H]1c1ccccc1 1772718252 JVIHECTYYDAIQI-HBUWYVDXSA-N 335.400 2.831 0 50 EFAA COCc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(C)cc1 11690566 VGGLUZYBIYDWSB-UHFFFAOYSA-N 328.416 2.785 0 50 EFAA O=C(CC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1)NC1CC1 11873786 LYGHEJCPEGYHAR-ZDUSSCGKSA-N 344.484 2.962 0 50 EFAA CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 12403823 UDFDHFMNSUOURS-HZPDHXFCSA-N 346.427 2.998 0 50 EFAA C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12414239 MNBQTFCXJCVEKS-JTDSTZFVSA-N 336.451 2.514 0 50 EFAA O=C(/C=C/c1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1 12460070 CPEOQZUXCAANTD-YVNCXZRQSA-N 335.451 2.918 0 50 EFAA CCN(CC)C[C@H](O)COc1ccc(CNC(C)(C)C)cc1OC 12574541 GBGCARXXPAKKAA-INIZCTEOSA-N 338.492 2.665 0 50 EFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC3(CC2)OCCO3)c1 13331326 GQERATSIHPKAHN-ZDUSSCGKSA-N 339.819 2.781 0 50 EFAA CC(C)CSc1nnc(CCNC(=O)c2ccc(F)cc2)n1C 14989496 LPTNOEBILWTSCB-UHFFFAOYSA-N 336.436 2.675 0 50 EFAA CCCOc1ccc(C(C)=O)cc1Cc1c(O)nc(SC)[nH]c1=O 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COCC1(CNC(=O)Nc2ccc(OC)c(OC)c2OC)CCC1 282652292 GAMYSJBXSQTWSV-UHFFFAOYSA-N 338.404 2.651 0 50 EFAA CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1cn[nH]c1 55088133 GOFYQZFOHSFBAF-SFHVURJKSA-N 327.428 2.805 0 50 EFAA COc1ccc(NCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100648717 YCJQSUFCUSANTO-GJZGRUSLSA-N 334.803 2.625 0 50 EFAA COc1cc(C)ccc1NC(=O)CC1(N2CCOCC2)CCCC1 119087089 ZOYFVYTUEABKMA-UHFFFAOYSA-N 332.444 2.977 0 50 EFAA CC(=O)c1cccc(NCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 101361266 NSUFMZYJEUINGB-HUUCEWRRSA-N 332.787 2.776 0 50 EFAA O=C(NCCSC1CCCC1)c1ccc(N2CCOCC2)cc1 63929140 DIUJXFJMBJRCSH-UHFFFAOYSA-N 334.485 2.929 0 50 EFAA O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 136506701 WOJFKSODAKMDSE-AWEZNQCLSA-N 341.367 2.693 0 50 EFAA CCN(CC)CCO[C@@H]1CCN(C(=O)c2cccc3cccnc23)C1 349265388 JUBPELLKJMBNML-QGZVFWFLSA-N 341.455 2.808 0 50 EFAA CCNc1ncc(CN2CCCOc3c(cccc3OC)C2)cn1 67883926 SHRWELAXKYVARX-UHFFFAOYSA-N 328.416 2.702 0 50 EFAA CCN(CCNC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)c1ccccc1C 229315867 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2.959 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)n(C(C)C)c2C)C1 331378298 FJZJFQPKUMLAMD-ZBFHGGJFSA-N 345.447 2.715 0 50 EFAA CN(C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CCCC1 367161009 SAZCBPCABJMLCY-AWEZNQCLSA-N 330.432 2.727 0 50 EFAA C[C@@H](OC1CCCCCC1)C(=O)N1CCNC[C@@H]1c1ccncc1 333336233 XDDZPCLLXYKNRY-CRAIPNDOSA-N 331.460 2.682 0 50 EFAA CCCn1ncc(C(=O)NCc2noc(Cc3cccs3)n2)c1C 215255876 WRHZPXQUGWWLDL-UHFFFAOYSA-N 345.428 2.567 0 50 EFAA CN(C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C1Cc2ccccc2C1 284925123 HIHKJFLIVDFWMK-IEBWSBKVSA-N 339.439 2.514 0 50 EFAA CNS(=O)(=O)c1ccc(N2CCC[C@H]2/C=C/c2cccs2)nc1 368779277 KCAHMJLQEWLPGI-YBJDMEARSA-N 349.481 2.733 0 50 EFAA Cc1scc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1-c1ccccc1 217874092 LKUDHROZBQXXSP-CYBMUJFWSA-N 349.477 2.888 0 50 EFAA CCn1nc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c2ccccc21 369144888 PIZFVQJHMRSIJI-GOSISDBHSA-N 339.443 2.725 0 50 EFAA CCn1ncc(NC(=O)NC2CCC(C(=O)O)CC2)c1C(F)(F)F 263056612 NWFOAVQFWSNNDG-UHFFFAOYSA-N 348.325 2.687 0 50 EFAA O=C(NC(NC(=O)c1ccccc1)c1ccccn1)c1ccccc1 71770089 CRGQEPPOMKJAFF-UHFFFAOYSA-N 331.375 2.940 0 50 EFAA C[C@H](Oc1ccccc1F)C(=O)N1CCc2ccc(C(=O)O)cc2C1 262184915 JCKMWDSRLGEJMN-LBPRGKRZSA-N 343.354 2.876 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)C1 263134148 YRZYFCLOLUPSTE-STQMWFEESA-N 344.333 2.666 0 50 EFAA Cn1ncc(CN2CCN(Cc3cccc(F)c3)CC2)c1C1CC1 72138874 AILJBHUENCFIKF-UHFFFAOYSA-N 328.435 2.754 0 50 EFAA C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(O)nn1 375791519 YLUXSIZSMAFUAJ-SOVGHPHASA-N 345.418 2.746 0 50 EFAA CCN(C)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 71747191 NKFRYUPBSRYGKF-LJQANCHMSA-N 342.439 2.700 0 50 EFAA O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCn2nccc21 375958268 PDUPQKIXJQMXKO-GFCCVEGCSA-N 326.183 2.660 0 50 EFAA COc1cccc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)c1 262886007 LASIOSCYOIZJGW-IRXDYDNUSA-N 325.364 2.636 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cc2)n1 77319885 IMIWXKXDNWWZTI-PKOBYXMFSA-N 338.455 2.798 0 50 EFAA 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Cc1nc(N(C)CCc2nc3ccc(F)cc3[nH]2)c2c(C)noc2n1 95367405 FSADTDZNKNSZGW-UHFFFAOYSA-N 340.362 2.929 0 50 EFAA COCCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2F)CC1 95509225 VSQAXKVIQNLJRK-UHFFFAOYSA-N 349.328 2.640 0 50 EFAA O=C1OCCN1C1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95519398 XOUWXUYTUCITGV-OAHLLOKOSA-N 330.428 2.544 0 50 EFAA Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCOc3c(F)cccc32)cn1 241862493 SQLAKHWCDIZKGZ-OAHLLOKOSA-N 345.374 2.552 0 50 EFAA CCCc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(C)n1 534576168 XCDNKGDGFCGMQK-KRWDZBQOSA-N 325.412 2.923 0 50 EFAA CC(C)[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nccn1C 299776931 FYDIVRIJWBIRRP-KRWDZBQOSA-N 329.400 2.595 0 50 EFAA Cc1ccccc1COC1CN(C(=O)CCc2n[nH]c(C)c2C)C1 299763502 NXQIKGHESZJFQO-UHFFFAOYSA-N 327.428 2.695 0 50 EFAA COC(=O)c1cccc(NC(=O)N[C@H](CC(C)C)c2ncnn2C)c1 299769599 SNCXNQMXNDAPOX-CQSZACIVSA-N 345.403 2.511 0 50 EFAA Cc1cc(C)n(CCNC(=O)Nc2ccnn2C[C@H]2CC=CCC2)n1 299780220 AMGGWAUMRNKBAL-INIZCTEOSA-N 342.447 2.874 0 50 EFAA CC(C)(C)n1cnc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)n1 291976744 QLOOXHWNTUTSRX-LBPRGKRZSA-N 346.456 2.972 0 50 EFAA O=C(c1cc2c(s1)CCCCC2)N1CCc2ncnc(O)c2CC1 299803003 ZZHFQJJJOMAQMM-UHFFFAOYSA-N 343.452 2.754 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)CCCc2c(C)n[nH]c2C)s1 670468603 RAKNTUSNUPRSJO-UHFFFAOYSA-N 327.475 2.650 0 50 EFAA Cc1cc(C(=O)NC[C@H]2CCCC(=O)N2)c(C)n1Cc1ccccc1 1875271112 LYQVUTCSAAXKOG-QGZVFWFLSA-N 339.439 2.552 0 50 EFAA O=C1NCc2ccc(N[C@H]3CCN(c4ccccc4F)C3=O)cc2N1 1875349052 LBFIWTQTNXXZST-AWEZNQCLSA-N 340.358 2.678 0 50 EFAA COCc1cccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)c1 952890399 SMPJUQXZYNKILA-OAHLLOKOSA-N 343.383 2.622 0 50 EFAA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)OC1CCC1 952993048 VINXNBQPTORDEN-VIFPVBQESA-N 332.326 2.524 0 50 EFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1ccon1 952992711 JCZUBOCBXBWNQD-GFCCVEGCSA-N 335.354 2.623 0 50 EFAA O=S1(=O)CCC[C@@H]1CCNCc1ccc(Cl)c2cccnc12 883299570 YKLPEZMQQGRESN-CYBMUJFWSA-N 338.860 2.945 0 50 EFAA CO[C@@H](CS(=O)(=O)N(C)c1cccc(C)c1C)[C@H]1CCCOC1 1775993536 FBHOKGYYHPKGLJ-RDJZCZTQSA-N 341.473 2.511 0 50 EFAA O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H](N2CCCC2=O)CC1 1434087303 HGZPHHFYCHNTRB-ZDUSSCGKSA-N 343.402 2.924 0 50 EFAA C[C@H]1[C@@H](NC(=O)c2ncccc2Cl)CCCN1Cc1ccccn1 994271130 IRPFKQHSWCVXKU-BBRMVZONSA-N 344.846 2.913 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(CN(C)C)o2)CCN1Cc1ccccc1 1362868833 PMTKKPCSQQMBAR-MRXNPFEDSA-N 341.455 2.688 0 50 EFAA CC(C)c1nnc(CNC(=O)C[C@H]2CCc3ccccc3C2)n1C 273412013 IVMVVDXHMWYQBG-AWEZNQCLSA-N 326.444 2.750 0 50 EFAA C[C@H](NCCOc1ccccc1Cl)C1CCS(=O)(=O)CC1 275268192 BLGVIRKAFAOPLO-LBPRGKRZSA-N 331.865 2.522 0 50 EFAA O=C(c1ccco1)N1CCN(c2ncc(C(F)(F)F)s2)CC1 276746855 HCUPCAXLLGGIOK-UHFFFAOYSA-N 331.319 2.717 0 50 EFAA OC1[C@H]2CCC[C@H]1CN(CCCc1nc(-c3cccs3)no1)C2 169988017 CNBQGAWFZSKDTB-STQMWFEESA-N 333.457 2.824 0 50 EFAA Cn1c(=O)sc2cc(CNC[C@](C)(O)c3ccc(F)cc3)ccc21 170091622 HOYJZJBGAPWWII-SFHVURJKSA-N 346.427 2.736 0 50 EFAA CC1(C)[C@H]2CC=C(COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)[C@@H]1C2 170593104 QKMNDRCSCWNVAZ-WZTLGTBRSA-N 335.469 2.976 0 50 EFAA C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@](O)(C(F)(F)F)C1 408274671 NESTYVNWYVVVJM-SMDDNHRTSA-N 347.385 2.629 0 50 EFAA Cc1noc(C)c1COc1ccc(S(=O)(=O)N2CCCC2)cc1 408525395 BDLNHALJIPHDKN-UHFFFAOYSA-N 336.413 2.655 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cscn2)C1 190533555 ZHBHFKUAGPHYFH-LBPRGKRZSA-N 336.486 2.502 0 50 EFAA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C(=O)O)cn1 190649650 WLIOJMHJZJRTMT-BONVTDFDSA-N 348.786 2.939 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(F)c2F)C[C@H]1C 191326773 MMDLAVKCWVAHHF-GRYCIOLGSA-N 340.370 2.866 0 50 EFAA CC(C)(C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1cccnc1 679239082 VHOPGLXCCGLPMR-UHFFFAOYSA-N 347.422 2.660 0 50 EFAA CN(C)c1cccc(S(=O)(=O)N[C@H]2CCCOc3ccccc32)c1 682612865 WGFNMQQFWJDXCJ-KRWDZBQOSA-N 346.452 2.945 0 50 EFAA COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1C 195554506 JSPOWVULJIRHAV-IRXDYDNUSA-N 331.460 2.629 0 50 EFAA CC(C)(C)C(=O)NCCNc1cc(-c2ccccc2)nc2ccnn12 663490436 GCNSQLWEXZGNIC-UHFFFAOYSA-N 337.427 2.971 0 50 EFAA CC1=C(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)OCCO1 1506421624 KCPSGIBUBRNAKX-OAHLLOKOSA-N 327.384 2.515 0 50 EFAA Cc1nnc(SCC(=O)NC2(c3cc(F)cc(F)c3)CC2)o1 1506414010 MOOXNUHQTPMKHW-UHFFFAOYSA-N 325.340 2.554 0 50 EFAA O=C(c1csc2c1CCCC2)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616081699 HNTZJEXXYJSANA-GUYCJALGSA-N 342.464 2.698 0 50 EFAA CN(C)C1(C(=O)NCCn2ccc3ccccc32)Cc2ccccc2C1 11822023 XRLWGFJPNOAAHN-UHFFFAOYSA-N 347.462 2.857 0 50 EFAA Cc1cc(C)c(C(=O)N2CC(=O)N(c3ccccc3C)[C@H](C)C2)[nH]1 11869462 WYTZFJCSGJMCHX-OAHLLOKOSA-N 325.412 2.817 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12434781 KYCDIQOSFYKSFS-INIZCTEOSA-N 329.444 2.611 0 50 EFAA COc1ccc(/C=C/C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1 18042692 RXLGAYPRAKOXRT-FMIVXFBMSA-N 335.367 2.510 0 50 EFAA biogenic COc1cnc(C)cc1C(=O)N1CCCC[C@@H]1CCn1ccnc1C 1857672275 ODMHHUXSVMIXNE-MRXNPFEDSA-N 342.443 2.989 0 50 EFAA CN1CCC[C@@H](Cn2ccnc2-c2cc3ccccc3n(C)c2=O)C1 1857689604 TWZGOCZQTBMEME-OAHLLOKOSA-N 336.439 2.744 0 50 EFAA CCCO[C@@H]1CC[C@H](C(=O)NCCCc2cccc(C)c2)C[C@H]1N 1857717130 KHMDAXGYVOCVRG-IPMKNSEASA-N 332.488 2.966 0 50 EFAA CN(C)c1ncccc1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O 1875247891 SSIANDJAPAVBPC-IEBWSBKVSA-N 339.439 2.705 0 50 EFAA O=C(Cc1ccsc1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709963408 ZNCMXBUTBKSQSP-IRXDYDNUSA-N 331.437 2.781 0 50 EFAA Cc1ocnc1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)c(F)c1 225484330 WDRBUWNFJLTEIR-NSHDSACASA-N 326.711 2.721 0 50 EFAA O=C(NC(C1CCCC1)C1CCCC1)c1cnc2n(c1=O)CCS2 117830035 NBMWXIMVJUGIKQ-UHFFFAOYSA-N 347.484 2.828 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)COc3cccc(Cl)c3C)C2)n1 331499517 BKTVHHKQHPSYHB-GFCCVEGCSA-N 335.791 2.735 0 50 EFAA Cc1ccc(F)c(CC(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)c1 643887762 YIOHKCXRYQUFIF-QGZVFWFLSA-N 342.418 2.896 0 50 EFAA c1coc(Cn2c(SC3CCOCC3)nnc2-c2cnccn2)c1 128872542 QGTBASYWJKZVLW-UHFFFAOYSA-N 343.412 2.648 0 50 EFAA COc1ccc2cc(C(=O)N3CC[C@@H](C)[S@@](=O)CC3)c(C)nc2c1 252487929 IEYULPMFFVPJBL-YYUOZPCZSA-N 346.452 2.535 0 50 EFAA CCn1ncc2cc(C(=O)NCC3(C(F)(F)F)CC3)c(C)nc21 356287031 RMDRWUITCXOEOL-UHFFFAOYSA-N 326.322 2.832 0 50 EFAA Cc1cc(C)cc([C@@H](NC(=O)c2cccc3c2OCCO3)C(=O)O)c1 263064703 OTNFSKGFHSXCTA-MRXNPFEDSA-N 341.363 2.630 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)cc1Cl 910617298 LQZDCCVQYSGPJV-JZLYGMAVSA-N 337.803 2.791 0 50 EFAA COc1cccc2c1CCC[C@@H](NC(=O)NCc1nccs1)C2 912152983 MARSRRQQEIPQRC-CYBMUJFWSA-N 331.441 2.899 0 50 EFAA C[C@]1(NS(=O)(=O)c2cnc(-c3ccccc3)o2)CCO[C@H]1C1CC1 2325782609 NJXUEHTUWNDZSP-RDJZCZTQSA-N 348.424 2.578 0 50 EFAA CC(=O)Nc1ncc(CNc2cccc(N3CCC(O)CC3)c2)s1 2325800974 PEZYGAIGRHTZKI-UHFFFAOYSA-N 346.456 2.675 0 50 EFAA COC1CC2(CCN(S(=O)(=O)c3ccc(Cl)nc3C)CC2)C1 2325890795 LSVBUJJTERGXHM-UHFFFAOYSA-N 344.864 2.623 0 50 EFAA O=C(Oc1ccc(OC(=O)N2CCOCC2)cc1)c1ccccc1 616607 GQVVZYTZZMUFEZ-UHFFFAOYSA-N 327.336 2.737 0 50 EFAA Oc1ccccc1OCCOCCOCCOc1ccccc1O 2689958 XATAPWYLOXDSSI-UHFFFAOYSA-N 334.368 2.589 0 50 EFAA biogenic CCOC(=O)C(=CNc1ccc(Cl)nc1Cl)C(=O)OCC 3091401 HAWCRNYPYOYBBF-UHFFFAOYSA-N 333.171 2.810 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4809559 QOVPNIBBHOCNBC-UHFFFAOYSA-N 340.351 2.979 0 50 EFAA COc1cc(CNC2CCCCC2)cc(Cl)c1OCC(N)=O 4838231 DUJQGFZKLAXKLL-UHFFFAOYSA-N 326.824 2.635 0 50 EFAA CC(=O)Oc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 4869117 LNEYNWNYHILDRH-UHFFFAOYSA-N 337.335 2.592 0 50 EFAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(CC)n[nH]2)cc1 6574013 OOVLJKCSGRKGFW-SNVBAGLBSA-N 348.428 2.663 0 50 EFAA O=C(Nc1ccnn1Cc1cccs1)[C@H]1COc2ccccc2O1 7793986 AMJMGVKDTRKVBE-OAHLLOKOSA-N 341.392 2.771 0 50 EFAA CCOc1ccccc1CN(C(=O)c1ccc(C)[nH]c1=O)C1CC1 55099234 IRAXYRCIVANHAC-UHFFFAOYSA-N 326.396 2.887 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C/C=C/c2ccccc2F)C1 345492638 QXFJONDYACTPAG-HMQGTJFBSA-N 344.390 2.644 0 50 EFAA COC(=O)c1sc2ncccc2c1NC(=O)CN1CCC[C@@H](C)C1 9482437 NKCPCGJBDFUDTR-LLVKDONJSA-N 347.440 2.753 0 50 EFAA O=C([C@H]1CCCO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20435762 ZRMHZKLENIKPLG-OAHLLOKOSA-N 343.254 2.817 0 50 EFAA CC(C)c1nccn1[C@H](C)CN1CCCN(c2ncccn2)CC1 20255725 GAKFFGAJFLOEAW-MRXNPFEDSA-N 328.464 2.570 0 50 EFAA CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc3nc(S)oc3c2)C1 118783860 DFLSTUUAKPRLAG-GFCCVEGCSA-N 347.440 2.637 0 50 EFAA CC(=O)Nc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc1 20783069 ZKKAKFXFUKKYKJ-FQEVSTJZSA-N 347.503 2.560 0 50 EFAA Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)Nc1ccc(F)cc1 354121590 UNZLJEYSTKEEAJ-UHFFFAOYSA-N 328.347 2.611 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCN1CCN(C[C@@H](O)c2ccco2)CC1 229459099 KZFSRMSVTWLNKM-KURKYZTESA-N 336.476 2.526 0 50 EFAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1F 20419370 ZGWMKXRYUQHUIO-UHFFFAOYSA-N 327.403 2.582 0 50 EFAA CC[C@@H](C(=O)NCc1csc(C)n1)N1Cc2ccccc2C1=O 67935276 CQGYNDXDMWHFIW-HNNXBMFYSA-N 329.425 2.502 0 50 EFAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 121858518 MXQZJQLOGJDITD-ZSXDVEMLSA-N 336.520 2.528 0 50 EFAA Cc1nc(CN(C)[C@H]2CCN([C@H]3CCCc4ccccc43)C2)no1 257365952 CXZFSEBZVMXKHI-WMZOPIPTSA-N 326.444 2.962 0 50 EFAA CCOC(=O)N1CCC(N(C)Cc2nc3ccc(C)cc3[nH]2)CC1 67489541 KDANTPPRRMHUAN-UHFFFAOYSA-N 330.432 2.924 0 50 EFAA CCOc1cccc(N2CCN([C@@H](C)c3nnc(C)s3)CC2)n1 283266206 WILSECIQCFBMRY-LBPRGKRZSA-N 333.461 2.523 0 50 EFAA C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1nc2ccccc2[nH]1 283846468 MERZNVWBFGMBAG-NSHDSACASA-N 337.383 2.633 0 50 EFAA CCc1noc(C)c1C[S@@](=O)Cc1nc(O)cc(C(F)(F)F)n1 155277384 RPFDEFXDPVFCGD-QHCPKHFHSA-N 349.334 2.509 0 50 EFAA COc1cc(NS(=O)(=O)c2cc(F)ccc2F)cc(OC)c1 8105556 NMXIMNXBGNBEIY-UHFFFAOYSA-N 329.324 2.783 0 50 EFAA OC1(Cn2ccnc2)CCN(Cc2cc(-c3ccccc3)no2)CC1 215749792 KETBJJVMQMKHMX-UHFFFAOYSA-N 338.411 2.565 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642850 YNUYQLRVYFMWKU-LULLPPNCSA-N 345.487 2.738 0 50 EFAA CC[C@H](C)n1ncc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1C 331593446 KWKFYGSDPHTINR-NHYWBVRUSA-N 346.456 2.537 0 50 EFAA Cc1nc(C)c(CCNC(=O)N2CCC(Cn3cccn3)CC2)s1 126174156 HTGNNARARHVQOT-UHFFFAOYSA-N 347.488 2.621 0 50 EFAA COc1ccc(C2CCN(C(=O)[C@H]3CC34CCNCC4)CC2)cc1 261954241 QMOPJRZUDNKAPT-GOSISDBHSA-N 328.456 2.791 0 50 EFAA C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1 262167229 PZGDRKXPCZTJLF-IINYFYTJSA-N 342.351 2.502 0 50 EFAA CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@H]2c2ccccc2F)c1 374035821 VEOQYCFNQHWTQM-LXXRFIIISA-N 339.370 2.567 0 50 EFAA COc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1C(=O)O 215494015 OZOKYDUGFLNIFI-UHFFFAOYSA-N 337.379 2.869 0 50 EFAA CCn1nc(CO)c2c1CCN(Cc1cc(-c3ccccc3)no1)C2 216287691 KWGCSWBNWTWVJJ-UHFFFAOYSA-N 338.411 2.609 0 50 EFAA COc1cc2c(cc1CN1CC(N3CCCCC3)C1)OCCCO2 215618483 FDKKSFVAXRZHAX-UHFFFAOYSA-N 332.444 2.527 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cn2ccnc2)cc1 77505530 ZMKBSGNUCDOPFA-GOSISDBHSA-N 326.444 2.699 0 50 EFAA CC(C)c1ccc(CC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 72147167 SKDUGEGTSLKYLT-IBGZPJMESA-N 330.428 2.796 0 50 EFAA COc1c(F)ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c1F 215356205 BQEFWRFIFKXINR-AWEZNQCLSA-N 340.414 2.518 0 50 EFAA Cc1cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)sc1C 72448023 ZJRGGWJKTWYLNF-AWEZNQCLSA-N 336.501 2.938 0 50 EFAA CN(C)C(=O)c1cc(NCc2cnc([C@H]3CCCO3)s2)ccn1 285135883 JTQJBHCHUJGHNZ-CQSZACIVSA-N 332.429 2.704 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@H]1CCOC2(CCCCC2)C1 242389593 ZYQNOFSPRKPWTN-ARFHVFGLSA-N 329.506 2.814 0 50 EFAA CCc1ccccc1CC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 263164725 VSTPAJPCJIWULR-LJQANCHMSA-N 339.391 2.669 0 50 EFAA Cc1cccc2nc(C(=O)N(C)Cc3noc(C4CCC4)n3)c(F)n12 71524331 KALHWZGLAJEZMP-UHFFFAOYSA-N 343.362 2.705 0 50 EFAA COc1ccc(Cl)cc1CN(C)c1cc(C2CC(N)C2)nc(N)n1 219204293 BVWLNWSFWSKVNI-UHFFFAOYSA-N 347.850 2.562 0 50 EFAA CCc1cc(NCc2nc(Cc3ccccc3)no2)n2nccc2n1 72424494 YYQSYVRQQHOPCL-UHFFFAOYSA-N 334.383 2.878 0 50 EFAA Cc1ccc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)cc1 285459558 QWJWIXLDANJPBI-DOMZBBRYSA-N 327.384 2.858 0 50 EFAA Fc1ccccc1-n1cc(CN2CCC[C@H](c3ncn[nH]3)C2)cn1 216334305 CIIKNFOMHDESSS-AWEZNQCLSA-N 326.379 2.509 0 50 EFAA CN(CC(=O)Nc1ccccc1Oc1ccccc1)C1(CO)CC1 241440015 NOJSJNZXCXOCQU-UHFFFAOYSA-N 326.396 2.874 0 50 EFAA COC(=O)C1(C(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 241588213 PAWDXMMGBKESSA-UHFFFAOYSA-N 343.408 2.828 0 50 EFAA CC(=O)c1csc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)n1 291092940 IBAYCVDTFRSLNN-NSHDSACASA-N 333.388 2.950 0 50 EFAA CC1(C)CC[C@@H](NC(=O)CCn2cnccc2=O)c2ccccc21 292117836 DZBFTNLNMUPEEL-MRXNPFEDSA-N 325.412 2.562 0 50 EFAA Cc1c(CCC(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1C 179087968 WFHZMOTYJDUHMM-HNNXBMFYSA-N 333.819 2.955 0 50 EFAA c1ccc2c(N[C@@H]3COCC[C@@H]3OCc3cscn3)ncnc2c1 220590714 RDAXUGRUWUPJAH-CVEARBPZSA-N 342.424 2.873 0 50 EFAA Cc1ccc(NC(=O)NC[C@H](C)n2ccnc2)cc1N1CCCC1=O 97446981 PSPFETBEJAWCHG-AWEZNQCLSA-N 341.415 2.701 0 50 EFAA O=C(O)/C=C/c1cccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)c1 96488330 ANBPDQVBHMMILL-KMEUXCNSSA-N 331.755 2.807 0 50 EFAA Cc1noc2ncnc(NCc3noc(Cc4cccs4)n3)c12 91893911 GLUMOIJEWDIDCH-UHFFFAOYSA-N 328.357 2.574 0 50 EFAA Cc1c(C(=O)N2CCc3ccc(-c4ccccc4)cc3C2)nnn1C 295492231 SGDHFKFYSISUNV-UHFFFAOYSA-N 332.407 2.989 0 50 EFAA CCOC(=O)N1CCC(Nc2nccc(-c3ccncc3)n2)CC1 96141882 QQYCHKVEZRUHOU-UHFFFAOYSA-N 327.388 2.571 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2Nc2nccc(-c3ccncc3)n2)on1 96165891 JWPDUQFYAOJPTH-PBHICJAKSA-N 337.383 2.505 0 50 EFAA COCCc1noc([C@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2C)n1 91746229 JRXVJWIZKULCCZ-LBPRGKRZSA-N 342.399 2.848 0 50 EFAA CCCc1nnc(N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)s1 95373687 ZJLWWGLTJBPMIW-KSSFIOAISA-N 345.468 2.541 0 50 EFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)NCc1cccs1)C2 92037993 FBXCWJFTGHJBPA-LSDHHAIUSA-N 347.484 2.847 0 50 EFAA COCCN1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1 91381888 ZXKWIHBMKMDMCM-NRFANRHFSA-N 344.499 2.925 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc2nn[nH]c2c1)C1CC1 95515387 MAOSRQYFCJLMHE-UHFFFAOYSA-N 339.403 2.505 0 50 EFAA c1ccn2c(CCn3cc(-c4ccc(-c5cc[nH]n5)o4)nn3)cnc2c1 91656296 RQQXHVJZDWAZGI-UHFFFAOYSA-N 345.366 2.819 0 50 EFAA OCCn1nc(Cc2cccs2)nc1CCN1CCCCCCC1 97301273 NYKOWMLGQKEIGJ-UHFFFAOYSA-N 348.516 2.731 0 50 EFAA Cc1[nH]c2c(c1C(=O)N1CCC(c3nccn3C)CC1)C(=O)CCC2 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330.350 2.686 0 50 EFAA O=C1C[C@@H](N[C@@H](c2ccccc2)c2ccccn2)CN1CC(F)(F)F 170070219 ZLVGHMWPRTUVSA-PBHICJAKSA-N 349.356 2.924 0 50 EFAA CCn1cnc2c(c1=O)CCN(C(=O)Cc1cccc3ccccc13)C2 170614456 OFGGFVFBKDKTEZ-UHFFFAOYSA-N 347.418 2.544 0 50 EFAA CC(C)(C)c1cnc(CCC(=O)NCC[S@](=O)C(C)(C)C)o1 170600250 APYVJOITKOEHJG-QFIPXVFZSA-N 328.478 2.568 0 50 EFAA Cc1nc2c(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cccc2o1 279282687 KHKLOMCFABLODL-LLVKDONJSA-N 341.333 2.750 0 50 EFAA CC[C@H](NC(=O)c1cccc2c1OCC2(C)C)[C@H](O)C(F)(F)F 279676974 HDYDWPLFHIAPPE-AAEUAGOBSA-N 331.334 2.788 0 50 EFAA Oc1cccc([C@@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)c1 301956110 KXDLHRNKMMJQOA-LBPRGKRZSA-N 325.290 2.779 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CCN(C3CCCCC3)C2)cc1CO 305654787 FGSNKPDBGJXGGF-CQSZACIVSA-N 332.444 2.781 0 50 EFAA C[C@H]1CC[C@H](C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 408445635 AVHTXGLSOLQVOR-YUMQZZPRSA-N 337.775 2.859 0 50 EFAA C[C@@H](C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(C)(C)C 408520745 VIVRYBPIIDRDKE-KBPBESRZSA-N 342.480 2.811 0 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CN(C(=O)c1ccccc1C(F)(F)F)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704311651 DYIUOGFUQZYJMN-GRYCIOLGSA-N 340.345 2.692 0 50 EFAA CC(C)Oc1cccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704339676 WDCIMDXFAXXXNF-WOJBJXKFSA-N 332.488 2.752 0 50 EFAA CCN(CCOC)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772806176 VERAYYYFCHDMOT-CQSZACIVSA-N 345.468 2.805 0 50 EFAA CCCNc1ncc(-c2nccn2Cc2cccn3nccc23)cn1 1772816666 RTIRMRWQFXANML-UHFFFAOYSA-N 333.399 2.858 0 50 EFAA Cc1cc(-c2nc([C@@H](C)O)nn2CC(F)(F)F)n(C(C)(C)C)n1 1857675778 FEMCQEKPVMIZKW-SECBINFHSA-N 331.342 2.821 0 50 EFAA Nc1ccnc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 209874488 JEPVVYMXFUJRAE-QUCCMNQESA-N 347.418 2.808 0 50 EFAA C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCS(C)(=O)=O 408522857 DGKFEVOIGWFUKW-SNVBAGLBSA-N 329.853 2.644 0 50 EFAA Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1nnnn1C)C(C)(C)C 225625895 JZOIBZQWSDTVPA-OCCSQVGLSA-N 330.436 2.666 0 50 EFAA Cc1ccccc1-n1nccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 113138309 HKMWWERARRIXEX-QGZVFWFLSA-N 347.374 2.901 0 50 EFAA O=C(c1ccsc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 119359890 ZDOPHLBTZYBZTB-AWEZNQCLSA-N 327.471 2.710 0 50 EFAA CC(C)Cn1cc(C(=O)NC[C@@](C)(O)C(F)(F)F)c(C(F)F)n1 450288856 MXQYNHRZDAMJCT-GFCCVEGCSA-N 343.296 2.520 0 50 EFAA CC[C@H](C(=O)O)N1CCO[C@@H](c2cccc(Br)c2)C1 248967532 OIIASGJRKACORN-CHWSQXEVSA-N 328.206 2.686 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)NCc1ncnn1C(C)(C)C 252501677 UHPYYRRZUNPZOV-NSHDSACASA-N 349.410 2.741 0 50 EFAA CC(=O)N1C[C@H](C)CN(C(=O)CC2CCOCC2)c2ccccc21 365627887 MBOVMKRIAJQVSG-AWEZNQCLSA-N 330.428 2.839 0 50 EFAA O=C(O)c1ccccc1C1CCN(C(=O)CC[C@H]2CCOC2)CC1 372637167 HCHOLFNNYKCZCB-AWEZNQCLSA-N 331.412 2.908 0 50 EFAA O=C(N1CCC[C@@H](c2nn[nH]n2)C1)C1(Cc2ccccc2Cl)CC1 372611587 KBQWTQKZOGZZQA-CYBMUJFWSA-N 345.834 2.582 0 50 EFAA CC(C)[C@@H]1N(C(=O)C[C@@H]2SC(=N)NC2=O)CC12CCCCCC2 827994574 SENHQASLOYRJQN-JSGCOSHPSA-N 337.489 2.750 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 931333743 HPAWAIIFTPINJR-QAQDUYKDSA-N 339.443 2.891 0 50 EFAA CO[C@H](CC(C)C)CN1C[C@H](c2ccc(F)cc2)CS1(=O)=O 2325765072 XKPCUZLPQKOCKH-GOEBONIOSA-N 329.437 2.616 0 50 EFAA C[C@H]1CN(C(=O)CNc2cccc(-c3nccs3)c2)C[C@@H](C)O1 901487118 KLLSWVWZYVFXOA-BETUJISGSA-N 331.441 2.858 0 50 EFAA COC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 502982 KQQHFUXKQYPOFU-CMDGGOBGSA-N 330.365 2.593 0 50 EFAA COc1cc(OC)nc(-c2cccc(-c3ccn(CCF)n3)c2)n1 23505507 XBIKRVJQYMENSA-UHFFFAOYSA-N 328.347 2.994 0 50 EFAA COc1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1F 2356153486 JCRPTHDTXCCGOH-GOSISDBHSA-N 329.375 2.678 0 50 EFAA O=C1[C@H]2CS[C@H](c3ccccc3)N2C(=O)CN1Cc1ccccc1 3182505 OLAUDGHQFDRVRR-VQIMIIECSA-N 338.432 2.672 0 50 EFAA COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl 6482586 OUNNXBXHDIYBMU-UHFFFAOYSA-N 342.804 2.861 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc3c(c2)OCCN3C)c1 55099446 UUTAQQRQDHQMPF-HNNXBMFYSA-N 339.439 2.922 0 50 EFAA O=S(=O)(N1CCCC1)n1c(Cc2ccccc2)nc2ccccc21 8844805 MFIUILNYFYIKDI-UHFFFAOYSA-N 341.436 2.816 0 50 EFAA CCOC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 100025543 BTUJZIGPAGODTR-UHFFFAOYSA-N 326.348 2.971 0 50 EFAA COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 55565703 ZZFPEHFEYPMWOO-INIZCTEOSA-N 339.439 2.844 0 50 EFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc(F)ccc2o1 117791499 JMQJTJIWMWMDDM-OAHLLOKOSA-N 334.391 2.755 0 50 EFAA CCN1CCO[C@@H](CCNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 67675472 BHCWGISXKLRWTN-HNNXBMFYSA-N 329.444 2.625 0 50 EFAA CCCOc1cc(Cl)c(CN2CCC[C@H]2C(N)=O)cc1OCC 55361012 ASXOAMXYBQYUDM-AWEZNQCLSA-N 340.851 2.977 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCc3ccccn3)cc2)n1 65371905 QCXNZZGNGMBCIG-UHFFFAOYSA-N 334.423 2.916 0 50 EFAA COc1ccc(NC(=O)C(=O)c2ccco2)c(NC(=O)C(C)C)c1 55225616 ZGKLMFUVIKUSIX-UHFFFAOYSA-N 330.340 2.704 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2cccs2)no1 65364037 WMXRBSKOLYSNLJ-NSHDSACASA-N 329.381 2.882 0 50 EFAA CCOc1ccccc1CN(C(=O)[C@@H]1CCCN1C(=O)CC)C1CC1 55154035 YJJKJFIKWSKXBV-KRWDZBQOSA-N 344.455 2.977 0 50 EFAA CC(C)(C)c1cc(CN2CCCN(C(=O)c3ccco3)CC2)n[nH]1 67673666 AAFXEKMBMZRLCE-UHFFFAOYSA-N 330.432 2.648 0 50 EFAA CCNC(=O)[C@@H]1CCN(Cc2nc(-c3sccc3C)oc2C)C1 67947479 LROKJKZPUDMLJC-CYBMUJFWSA-N 333.457 2.978 0 50 EFAA Cc1cccc(C)c1-n1nnnc1CN[C@H]1CC(C)(C)OC1(C)C 119792862 XHLUCVKDTXCKEX-AWEZNQCLSA-N 329.448 2.715 0 50 EFAA COc1ccc(O)cc1CN1CCC[C@@H](CNC(=O)C=C(C)C)C1 67773617 YGPAHCOEEORNJI-HNNXBMFYSA-N 332.444 2.695 0 50 EFAA Cc1cnn([C@H](C)[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 229570081 BOWRKDUWJXKKTD-HDMKZQKVSA-N 326.444 2.751 0 50 EFAA CC(C)(C)n1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nn1 331495187 DHOUVLFZFFVKRT-CJNGLKHVSA-N 336.386 2.619 0 50 EFAA C[C@@H]1CN(c2ccc(NC(=O)N(C)C[C@H]3CCCO3)cc2)C[C@@H](C)O1 229792847 DJXALTMFPNHNFG-IIDMSEBBSA-N 347.459 2.943 0 50 EFAA CC[C@](O)(C(=O)NCc1ccc(O)c(OC)c1)c1cccc(Cl)c1 253397604 YAPDXTKFUPGBDS-GOSISDBHSA-N 349.814 2.968 0 50 EFAA COc1cc(N[C@@H]2CCCN(C(=O)[C@H](C)SC)C2)cc(OC)c1 121275826 NZXMVSUXAKQPPV-QWHCGFSZSA-N 338.473 2.858 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253623533 YPQLJJCQLWPVKQ-ARFHVFGLSA-N 340.427 2.627 0 50 EFAA CCOc1ccccc1CN1CCN(C2CCCC2)[C@H](CCO)C1 39388249 QIMSFDIGKCGDEF-LJQANCHMSA-N 332.488 2.897 0 50 EFAA Cn1c(=O)c(CN=c2[nH]c3ccccc3cc2CO)cc2ccccc21 488670264 ATUQNMGXNMICLY-UHFFFAOYSA-N 345.402 2.613 0 50 EFAA COC(=O)c1coc(CN2CCc3[nH]c4ccc(F)cc4c3C2)n1 328596827 ALVVMGISMLRPML-UHFFFAOYSA-N 329.331 2.640 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc4c(C)cc(F)cc4[nH]3)CCO2)o1 328608756 BELWIHDVIMEXCB-HNNXBMFYSA-N 344.346 2.521 0 50 EFAA COc1cccc2[nH]c(C(=O)NCCCc3nnc4ccccn34)cc12 36354268 LRMINPCAILKHQP-UHFFFAOYSA-N 349.394 2.582 0 50 EFAA C[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 329763369 UKMXPYGJWGHDLI-GARJFASQSA-N 347.337 2.653 0 50 EFAA COc1ccc(-c2nc(CN3CC[C@H](NC(C)=O)C3)c(C)o2)c(F)c1 71754110 SFBONQKYXNQXBE-ZDUSSCGKSA-N 347.390 2.508 0 50 EFAA CC(C)n1ncc2cc(CN3CCNC(=O)[C@@H]3c3ccccc3)cnc21 156307616 QLORRCLRBDVLNQ-SFHVURJKSA-N 349.438 2.685 0 50 EFAA Cc1noc(C)c1CN(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 284694760 SUFJYYNNJXNTIW-OALUTQOASA-N 329.444 2.795 0 50 EFAA Cn1ccnc1[C@H]1C[C@@H](NC(=O)NC2CCC3(CC2)CC3)CCO1 333636091 IAZBWNFKDOTVDN-LSDHHAIUSA-N 332.448 2.662 0 50 EFAA O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@H]1CC[C@@H](O)C1 342555549 WUJXJVSOZFEVLS-GOEBONIOSA-N 348.830 2.969 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1 237495280 OUJARYASVCKSSQ-LPHOPBHVSA-N 338.451 2.994 0 50 EFAA Cc1nc(CN(C)Cc2cc(Cl)ccc2OCC(N)=O)cs1 216268342 SLYUOXGVYZSWDB-UHFFFAOYSA-N 339.848 2.601 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1cccs1 237964072 IDPIDGQATIIEQY-STQMWFEESA-N 331.393 2.946 0 50 EFAA COc1ccc(CN2CCCC[C@@H]2CCN2CCN(C)CC2)c(F)c1 216374711 QFTRLQADWUJSKH-GOSISDBHSA-N 349.494 2.826 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N1CCO[C@H](c2nccs2)C1 130079586 GDQGYWVZVSMSII-NSHDSACASA-N 334.401 2.922 0 50 EFAA Cc1nc([C@@H]2CCCN(c3noc(-c4ccccc4)n3)C2)cc(=O)[nH]1 77505001 WWVWTHOCGWTMCZ-CQSZACIVSA-N 337.383 2.512 0 50 EFAA CCN1CCN(Cc2ccc(NC(=O)c3cc[nH]c3C)cc2)CC1 175480027 ARQCEVZGUVXQKJ-UHFFFAOYSA-N 326.444 2.713 0 50 EFAA COc1ccc([C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(OC)c1 226769476 XGQRBSUAFCJJJK-MRXNPFEDSA-N 345.351 2.756 0 50 EFAA Cn1ccnc1CN1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 240551659 GVGDCXXEJZGAMC-HOTGVXAUSA-N 347.409 2.799 0 50 EFAA Cc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 241435125 NKVIHLADNYFRAF-WNRNVDISSA-N 349.496 2.913 0 50 EFAA NS(=O)(=O)c1ccc2c(c1)N(C[C@@H]1CCCC(F)(F)C1)CCC2 338280825 MHMPWZUIFADIEQ-GFCCVEGCSA-N 344.427 2.912 0 50 EFAA O=C(C[C@H]1CCOc2ccccc21)NCCc1ccc(C(=O)O)cc1 238083219 YJZHCSZWGVCEFU-MRXNPFEDSA-N 339.391 3.000 0 50 EFAA COc1cc(OC)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 426477442 TVBMARBOFHNCFD-CYBMUJFWSA-N 329.400 2.554 0 50 EFAA CN(C)CCn1ccnc1C1CCN(C(=O)NC2CCCCC2)CC1 91587308 AEMIOGUGMWVVHK-UHFFFAOYSA-N 347.507 2.666 0 50 EFAA COCCCCCC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91391020 YYEOPUWKXOCQPY-JKSUJKDBSA-N 337.391 2.659 0 50 EFAA CCCn1nc(C)c(NC(=O)N[C@@H](C)c2cn3ncsc3n2)c1C 97137416 IKFYCOOMWAWBES-VIFPVBQESA-N 347.448 2.897 0 50 EFAA CCCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(C)n1 91933380 XBIWQOMPTVMVMQ-DLBZAZTESA-N 341.411 2.542 0 50 EFAA COc1ccc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2N(C)C)cc1 95512232 JDPUDBUJFCVNPH-ZWKOTPCHSA-N 344.480 2.855 0 50 EFAA CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)o2)CC1 96140638 BUEHKFRHNXFRBG-UHFFFAOYSA-N 331.464 2.641 0 50 EFAA COC[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 296371482 GYPHDZFVAOHNSX-QFBILLFUSA-N 345.443 2.568 0 50 EFAA CCCC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br 297031018 UFHDBGPRSQDTEG-ZDUSSCGKSA-N 330.222 2.750 0 50 EFAA CCc1nc(CNC(=O)N2CCC(c3ccc(F)cc3C)CC2)n[nH]1 297620638 XMNKJCRSWCBPOV-UHFFFAOYSA-N 345.422 2.904 0 50 EFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)O)C3)c1 299793124 JGSJHFDEFIWGSK-JTQLQIEISA-N 330.365 2.534 0 50 EFAA CCC(=O)NCc1cc2n(n1)CCN(C/C=C/c1ccc(F)cc1)C2 299764518 ACBWLYQADJPFQI-ONEGZZNKSA-N 342.418 2.577 0 50 EFAA CC(C)c1ocnc1C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 299788705 ZOPXLAUWZGWBLS-ZDUSSCGKSA-N 327.384 2.581 0 50 EFAA Cc1scnc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C12CCCC2 1875406635 IUXRZLXFEZVNAW-BNOWGMLFSA-N 347.484 2.751 0 50 EFAA Cc1ncccc1C(=O)Nc1ccc(CN=[S@@](C)(=O)N(C)C)cc1 952993274 FWOPOTLUSZTGAG-XMMPIXPASA-N 346.456 2.717 0 50 EFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccn1 1875291953 RCLJNFURPDJZHP-GDBMZVCRSA-N 340.379 2.539 0 50 EFAA COc1ccc(F)c(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)c1 1875282541 IUYQTZNJPHZGMH-HNNXBMFYSA-N 331.347 2.660 0 50 EFAA CN1CCN(Cc2ccc(F)cc2-c2cccc3nc(O)[nH]c23)CC1 1875283506 UZIVKSIBLAVBEX-UHFFFAOYSA-N 340.402 2.822 0 50 EFAA Cc1ccc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)nn1 1875284197 OHSRPMKSEGWORA-UHFFFAOYSA-N 347.440 2.510 0 50 EFAA COc1nscc1S(=O)(=O)N(C)[C@H](C)c1c(F)cccc1F 1875289715 KKHIDLCWMFNART-MRVPVSSYSA-N 348.396 2.812 0 50 EFAA CC(C)c1nnc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C2)o1 1875299257 FINNMFVZKWIYCD-NXEZZACHSA-N 346.378 2.788 0 50 EFAA COc1ccc(OC[C@@H]2C[N@@]2Cc2cnn(C)c2)c(C(F)(F)F)c1 1875381214 NUBCWXBJWXSZIA-AMXDTQDGSA-N 341.333 2.711 0 50 EFAA C[C@]1(NC(=O)c2csc(Cc3ccc(F)cc3)n2)CCC[C@@H]1O 1875320005 CFGPKQGIQWVQOD-YOEHRIQHSA-N 334.416 2.906 0 50 EFAA N[C@H](C(=O)Nc1cncc(-c2cc[nH]n2)c1)[C@H]1C[C@@H]1c1ccccc1 1875325745 BIUVYBDGGUWSMO-RYRKJORJSA-N 333.395 2.541 0 50 EFAA C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2cc(-c3ncccn3)ncn2)C1 1875305314 QJMGSETYNWJAGV-JHNDHUHGSA-N 339.443 2.700 0 50 EFAA CCOc1cccnc1S(=O)(=O)NC[C@@H]1CCCc2ccccc21 1875327684 GFMOSRZGIDQYPP-HNNXBMFYSA-N 346.452 2.879 0 50 EFAA Cc1cc(C)nc(CN(C)S(=O)(=O)CCOc2ccccc2)c1 952869841 MTGCAHXMPIXEFX-UHFFFAOYSA-N 334.441 2.539 0 50 EFAA O=C(Cn1cc(C2CC2)cn1)NC[C@]1(c2ccccc2)CCCO1 885947810 OYJCURPHURFEFD-IBGZPJMESA-N 325.412 2.583 0 50 EFAA CCN(CC)CCOc1ccc(CN[C@@H](C)Cc2cnccn2)cc1 888093671 MYERIKCAEQKASS-KRWDZBQOSA-N 342.487 2.918 0 50 EFAA C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@H]3CCCSC3)c2N1 1417882653 FJONTRZABGSLPG-WCABBAIRSA-N 330.404 2.519 0 50 EFAA O[C@H]1CN(Cc2cscn2)CC[C@@H]1Nc1nc2ccccc2s1 1565512366 DOARUDUEIYVURN-JSGCOSHPSA-N 346.481 2.800 0 50 EFAA Cc1cc(Br)cc(S(=O)(=O)NCc2ccco2)c1 38536933 HWLMNIIANXRHGE-UHFFFAOYSA-N 330.203 2.829 0 50 EFAA in-vitro Cc1conc1CS(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1 1365015610 JKTHJVMRVSNZNM-UHFFFAOYSA-N 336.388 2.741 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccncc2Br)CC(C)(C)O1 272663922 IJOTUDGGTZFSRL-SECBINFHSA-N 328.210 2.875 0 50 EFAA Cc1cc(CC(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)n[nH]1 170600974 NAHKWRVRWXITSI-UHFFFAOYSA-N 330.819 2.930 0 50 EFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)c2snnc2C)c(C)c1 170612295 SIOROJWLYPDCGZ-JTQLQIEISA-N 332.429 2.936 0 50 EFAA CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 408501237 QHWGOVWHAFBFHM-CQSZACIVSA-N 335.425 2.563 0 50 EFAA CC(C)(C(=O)N1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1F 188739053 VMKDHVNFLMLXRD-QGZVFWFLSA-N 341.810 2.775 0 50 EFAA CNC(=O)c1ccc(NC(=O)NCCc2ccc(F)c(F)c2)cc1 190358180 PJMDHYFGHCWJST-UHFFFAOYSA-N 333.338 2.689 0 50 EFAA Cc1cccc2nc(C3CCN(Cc4nc(N(C)C)no4)CC3)oc12 192814091 ZFEYXERPHMLULD-UHFFFAOYSA-N 341.415 2.965 0 50 EFAA Cc1cc2c(c(I)cn2CCN)c(Cl)n1 1501018207 CCRJMJXWYIJSCY-UHFFFAOYSA-N 335.576 2.561 0 50 EFAA CCCOc1ccccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529172305 DBOZMIUBIWZNJK-SJLPKXTDSA-N 340.423 2.858 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccoc3)CC2)s1 1529197494 QXITWHCRZHPDDI-UHFFFAOYSA-N 332.425 2.892 0 50 EFAA CC(C)c1nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cs1 1529120400 ZEIAOAWIVMJBGB-ZIAGYGMSSA-N 331.441 2.649 0 50 EFAA Cc1cccc(CN(Cc2nc(C(=O)O)co2)C[C@H]2CCCO2)c1 1529190952 QFXIDGQBDUDKSC-OAHLLOKOSA-N 330.384 2.862 0 50 EFAA Cc1cnc(C(=O)N2CCCN(C[C@@H](C)c3ccccc3)CC2)cn1 1772813355 YBIUNIMCOWYCKZ-MRXNPFEDSA-N 338.455 2.737 0 50 EFAA O=C(O)c1c(NC[C@@H]2CCN(C3CC3)C2)noc1-c1ccccc1 1772707336 PSRZYQYHGGCGNT-LBPRGKRZSA-N 327.384 2.936 0 50 EFAA Cn1cc(CN2C[C@@H]3CN(Cc4cc(Cl)ccc4F)CC[C@@H]32)cn1 1775981157 APIJZARVTTWOPM-YJBOKZPZSA-N 348.853 2.919 0 50 EFAA O=C(NCC1(O)CCCCC1)c1cc(COc2ccccc2F)[nH]n1 11819953 GPKXNBYHZMQPGZ-UHFFFAOYSA-N 347.390 2.553 0 50 EFAA COc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)c(OC)c1 13331217 FLFKRKQQKLOZTM-UHFFFAOYSA-N 342.380 2.870 0 50 EFAA CCOc1ccc(N2C(=O)C[C@H](N3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 13404080 OUXYCWKAVWSYKK-CPUCHLNUSA-N 330.428 2.695 0 50 EFAA CC1(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)CC1 15079054 YXBLFPMPLWIVSM-FQEVSTJZSA-N 344.430 2.967 0 50 EFAA Cc1ccccc1CN1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO 19836317 UBLHZSBALWAUHB-FQEVSTJZSA-N 340.467 2.769 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CNc3cccnc3)C2)c1 1857691256 CFXPTSCHQRUAIN-AWEZNQCLSA-N 341.411 2.527 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CC(=O)O)C1CC1 237728330 FTWPZOIALZVRBP-UHFFFAOYSA-N 333.775 2.523 0 50 EFAA Cc1cc(NC(=O)c2ncccc2Br)nn1[C@@H](C)C1CC1 408515358 KPLSFVKXRRORCS-JTQLQIEISA-N 349.232 3.572 0 50 EFAA O=c1c2cccc(Cl)c2ncn1Cc1ncnn1-c1ccccc1 225572641 SPPUAOMCXVZHBQ-UHFFFAOYSA-N 337.770 2.679 0 50 EFAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)cc2c1C 640870633 CEDVXMPLTLMBMG-YJLNNSPDSA-N 341.455 2.502 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2cccn2CCc2ccccc2)C1 237062870 CQHNYNNGXVJYTC-GOSISDBHSA-N 325.456 2.802 0 50 EFAA O=C(O)c1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 238005899 VTUGTKZMZDXFCO-UHFFFAOYSA-N 343.354 2.960 0 50 EFAA CC(C)CC[C@@]1(C2CCN(Cc3ccccc3)CC2)NC(=O)NC1=O 11910462 XADGWIRSTHOBFF-FQEVSTJZSA-N 343.471 2.913 0 50 EFAA C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@@H](CN)C1 246667540 DZIBLWBYVNLAJG-CABCVRRESA-N 339.439 2.652 0 50 EFAA CN1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1cccc2ccccc12 248151320 UETWAQNOYIJODR-ZBFHGGJFSA-N 330.453 2.555 0 50 EFAA NC(=O)C[C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 671548234 FTUIJQDKADKSAY-JTQLQIEISA-N 346.324 2.962 0 50 EFAA O=C(N[C@@H]1CCCCC12CCCC2)c1cncc(-n2ccnn2)c1 360549313 FMLMUDZGDFYNOH-MRXNPFEDSA-N 325.416 2.895 0 50 EFAA C[C@]1(C(=O)O)CCCN(C(=O)c2cccn2Cc2cccs2)C1 263355494 WWDZTCMJVMJRSE-KRWDZBQOSA-N 332.425 2.925 0 50 EFAA COc1ncccc1C(=O)N1C[C@@H](CCC(=O)O)Cc2ccccc21 902821913 MKHJCOIXEFELBD-ZDUSSCGKSA-N 340.379 2.774 0 50 EFAA O=C(O)c1ccc(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)c2ncccc12 903909368 HGZLAWROSVNHCB-VHDGCEQUSA-N 326.396 2.526 0 50 EFAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(c2ccc(Cl)cn2)C1 818144921 KHWGSFWAUWEVIX-MRXNPFEDSA-N 334.807 2.569 0 50 EFAA O=S(=O)(NCc1cc(C(F)F)on1)[C@@H]1C[C@H]1c1cccc(F)c1 921335323 GPSHLGCJTRTYBZ-WCQYABFASA-N 346.330 2.727 0 50 EFAA C[C@H](N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ncn(C)n1 400911913 FVWSBHUPKUIKQE-GBJTYRQASA-N 349.479 2.501 0 50 EFAA CCCOc1ccc(N2C(=O)C[C@@H](NCc3cccs3)C2=O)cc1 100129300 YQBAKFDSZZSHKP-MRXNPFEDSA-N 344.436 2.959 0 50 EFAA O=C(NC[C@@H]1C[C@H]1c1ccco1)c1ccc(C(F)(F)F)c(O)n1 2325765471 NVKFGKZSJDEPLI-DTWKUNHWSA-N 326.274 2.933 0 50 EFAA COc1cc(Cl)ccc1NC(=O)c1cnn(C2CCNCC2)c1 2325787636 MWHRIBIGMOCEDR-UHFFFAOYSA-N 334.807 2.722 0 50 EFAA CCc1ccccc1CC(=O)N1CC[C@H](C2CC(NC(C)=O)C2)C1 2325848274 CQZUZTYMXXAEEF-VIQWUECVSA-N 328.456 2.555 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)c1cc(-n2cccn2)ccn1 133302616 CHYGPSNURJZYEG-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1 316541 XHGYUGBHQWZNCY-AWEZNQCLSA-N 347.386 2.733 0 50 EFAA 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0 50 EFAA COC[C@@H]1CN(C(=O)/C=C(\C)c2cccc(OC)c2)CC(C)(C)O1 285391551 FIVUCTFAKQNLMF-ZGUWOUCSSA-N 333.428 2.751 0 50 EFAA O=C(Nc1cccc(Cl)c1O)c1ccoc1C1(O)CCOCC1 373840792 ZWRKYLAPJYIQIB-UHFFFAOYSA-N 337.759 2.889 0 50 EFAA CCCc1cnc(C)nc1N1CCN(C2CCCCC2)[C@H](CCO)C1 72428456 TUTQGAGFZZTQTQ-LJQANCHMSA-N 346.519 2.943 0 50 EFAA O=C(NCc1nnc(C2CC2)s1)N1CCC(C(F)(F)F)CC1 333947855 VUWRMAINKGAKGG-UHFFFAOYSA-N 334.367 2.899 0 50 EFAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3COCCN3)c2)C1 237524684 ZJAGHNLXZHRAQQ-JLSDUUJJSA-N 332.444 2.709 0 50 EFAA CCCOCCN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72432035 FMMMHGDHQDFQTM-FQEVSTJZSA-N 345.487 2.713 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)N3CCC[C@@H]3CC(=O)O)cc2C)c1 262850490 DDHOEJDBXBHQQL-OAHLLOKOSA-N 341.411 2.877 0 50 EFAA CCOCc1nc2c(c(N[C@H](C)c3cccs3)n1)CCNCC2 72472802 NFPOMXAQQDAQQT-GFCCVEGCSA-N 332.473 2.936 0 50 EFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1cc2c(cc1O)OCO2 218055551 CCBZLRSYQWIBIN-LBPRGKRZSA-N 344.319 2.514 0 50 EFAA biogenic O=C(O)C[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CCO1 238195351 GWLZSZURCMHVSZ-CYBMUJFWSA-N 337.441 2.652 0 50 EFAA O=C(CN1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(N2CCCC2)cc1 241144889 JTXZZRUKVADWJQ-JKSUJKDBSA-N 335.398 2.812 0 50 EFAA COC(=O)c1cnc(O)c(NC(=O)[C@H]2CCCc3ccccc32)c1 241515569 OGHJHWUMSUPMPI-AWEZNQCLSA-N 326.352 2.632 0 50 EFAA Cc1ccoc1C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72432258 OZOMVDHJIHIJAE-UHFFFAOYSA-N 340.427 2.998 0 50 EFAA C[C@]1(CO)CCCN(C[C@H]2CO[C@@H](c3ccc(Cl)cc3)O2)C1 242191392 XFDRPOWRLFMTRS-BBWFWOEESA-N 325.836 2.848 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2csc(CN)n2)C12CCCCC2 178606891 BSNHKIHPBVGWFH-ZIAGYGMSSA-N 337.489 2.802 0 50 EFAA Cc1nnc(CC(=O)NCCc2nc(C3CCCCC3)cs2)o1 291930162 MNQPSNBXWOKRMF-UHFFFAOYSA-N 334.445 2.784 0 50 EFAA O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@@H](CO)CC1 294077018 LBJKIYZPEFIDCG-SECBINFHSA-N 343.392 2.550 0 50 EFAA CCOC(=O)c1csc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1 293026574 VSUUKPFNWGUAJD-DGCLKSJQSA-N 326.462 2.549 0 50 EFAA O=C(CCc1ccccn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222882984 YRBODPSMQHAMGO-MOPGFXCFSA-N 340.423 2.505 0 50 EFAA O=C(NC[C@H]1CCCO1)c1cccc(-c2ccc3c(c2)OCO3)c1 426368334 QYUBNUJSWXUKTO-MRXNPFEDSA-N 325.364 2.991 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@@H](CO)Cc3ccsc3)[nH]n2)o1 91255444 ONOMFCFUQXCQCA-ZDUSSCGKSA-N 345.424 2.621 0 50 EFAA CN1CCC[C@@H]1CCNC(=O)N1CCC(OCc2ccccc2)CC1 426429831 PPBHJKBMTCCURI-GOSISDBHSA-N 345.487 2.862 0 50 EFAA COc1nc2c(cc1C(=O)N(CCO)Cc1sccc1C)CCC2 91494672 FQVSNRXJGODHMY-UHFFFAOYSA-N 346.452 2.584 0 50 EFAA CCc1oc2c(NC(=O)N[C@@H]3C=CS(=O)(=O)C3)cccc2c1C 426505723 HXWUSURIOZGDKG-LLVKDONJSA-N 334.397 2.736 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 91624583 WBENTPJDBKWQCZ-QGZVFWFLSA-N 327.428 2.826 0 50 EFAA O=C(Nc1cccc(F)c1)N[C@H]1CCCN(c2cccnc2)C1=O 181557124 XRXNPRJYSMSVIS-HNNXBMFYSA-N 328.347 2.538 0 50 EFAA OC1CCN(c2cc(N3CC[C@@H](c4ccc(F)cc4)C3)ncn2)CC1 95503797 DLTMZOSZGGQBSF-OAHLLOKOSA-N 342.418 2.571 0 50 EFAA COCc1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)n[nH]1 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CHZPUVZVZBVTHP-OKILXGFUSA-N 345.878 2.714 0 50 EFAA COc1cccc(-c2[nH]nc3c2CN(Cc2cnn(C)c2C)CC3)c1 42942869 AQWOTSXPGJZKIU-UHFFFAOYSA-N 337.427 2.686 0 50 EFAA O=C(C1CCC1)N1CCC[C@@H](c2ncnn2Cc2ccc(F)cc2)C1 826589593 FCZUOULHUMFVDG-MRXNPFEDSA-N 342.418 2.972 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NCCN1CCC[C@@H](c2ccccc2)C1 827847776 NPVHUHAAEZNCFE-GOSISDBHSA-N 340.471 2.565 0 50 EFAA Cc1csc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 936229873 DEXKPMAWMWDQBW-GFCCVEGCSA-N 346.456 2.548 0 50 EFAA CCOCCC(=O)N(CC1CC1)C1CCN(C(=O)CC(C)C)CC1 1299278712 XRSVBBVMRJQQNN-UHFFFAOYSA-N 338.492 2.689 0 50 EFAA CO[C@H]1CCCN(c2nnnn2Cc2c(C)cc(C)cc2C)CC1 1875272395 WIIRHVABALAPDP-INIZCTEOSA-N 329.448 2.652 0 50 EFAA Cc1ccccc1CS(=O)(=O)Nc1cc2c(C)nn(C)c2nc1C 1875279734 AYSOXCXRGMVISR-UHFFFAOYSA-N 344.440 2.835 0 50 EFAA Cc1nc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)c2c[nH]nc2n1 1875286806 GYUOWFFTUIIZPW-HNNXBMFYSA-N 327.363 2.503 0 50 EFAA CC(C)(C)c1ccc([C@@H]2NC(=O)CCN(C[C@H]3CCCO3)C2=O)cc1 1875310943 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337.370 2.512 0 50 EFAA O=C(O)[C@@]12CC[C@@H](c3ccccc3)C[C@@H]1CN(Cc1cnc[nH]1)C2 1565516037 PNROITCLQYAZBC-GPMSIDNRSA-N 325.412 2.880 0 50 EFAA CN(CC(=O)O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 186623506 CFXLBDLGPUAMEJ-UHFFFAOYSA-N 345.226 2.614 0 50 EFAA CCS(=O)(=O)c1ccc(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 276266693 GLXWGYWXSXBHPU-BEFAXECRSA-N 348.512 2.933 0 50 EFAA Cc1cc([C@@H](C)NC(=O)N(C)CC2(O)CCOCC2)c(C)s1 187404384 ITMKCTZBSRUDIX-GFCCVEGCSA-N 326.462 2.609 0 50 EFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCC=Cc2ccccc21 188241379 PGSMHWUSJNAMBW-HZPDHXFCSA-N 338.407 2.612 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 408519895 MWBVQVLVWQQURT-UTRMSSBJSA-N 345.439 2.809 0 50 EFAA COC(=O)c1ccc2c(=O)[nH]c(Cc3ccc4ccccc4n3)nc2c1 225512024 HXWFOVAMBCVQSP-UHFFFAOYSA-N 345.358 2.849 0 50 EFAA Cc1ccc([C@@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)o1 195401178 OQPVSFIZCHVXMB-HNNXBMFYSA-N 341.454 2.595 0 50 EFAA Cc1nn(Cc2cn(Cc3cc(-c4ccco4)on3)nn2)c(C)c1C 656447793 QVWJNYJHKDMIKK-UHFFFAOYSA-N 338.371 2.744 0 50 EFAA CCc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 199610 PHIYFACNTWTEHT-FOWTUZBSSA-N 333.416 2.928 0 50 EFAA O=C(CCc1ccccc1F)N[C@@H]1COC[C@H]1Cc1ccncc1 1529095183 NGNOTUNCFCIEOE-SJLPKXTDSA-N 328.387 2.527 0 50 EFAA Cn1nccc1CCC(=O)N1CCC2(CC1)OCCc1sccc12 1704339494 IXKQVZBKJCBXAK-UHFFFAOYSA-N 345.468 2.505 0 50 EFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)C(C)(C)Nc3ccccc3)CCN21 1616083452 VEWQCWPMVAFWQH-MSOLQXFVSA-N 345.487 2.589 0 50 EFAA Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)c2cc(F)cc(F)c2n1 1772705828 AHGTXGAZDPCWJG-KZULUSFZSA-N 334.366 2.657 0 50 EFAA CC[C@@]1(CCC(=O)NCc2c[nH]nc2-c2ccccc2)CCC(=O)N1 11785010 ACKNMQBBVMIWSQ-LJQANCHMSA-N 340.427 2.532 0 50 EFAA Cc1noc(C)c1CC(=O)N[C@H]1CCCN(CC2CCCCC2)C1 11879426 YGCDXQDGDPXQOM-KRWDZBQOSA-N 333.476 2.995 0 50 EFAA CC(C)c1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)O 169751152 DFRMAJXSCIHEHP-UHFFFAOYSA-N 326.400 2.625 0 50 EFAA Cc1c(Cl)cccc1C(=O)N(CC(=O)N(C)C)CC(F)(F)F 225589019 OTOWWKKMQSQAIN-UHFFFAOYSA-N 336.741 2.741 0 50 EFAA 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Cc1[nH]c2c(C)ccc(C)c2c1Cc1nc(CS(C)(=O)=O)no1 20208467 ZGSMLYVLXZLOKG-UHFFFAOYSA-N 333.413 2.612 0 50 EFAA CC[C@]1(O)CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67655111 PSQDTPGCRLKYPC-SFHVURJKSA-N 347.390 2.505 0 50 EFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c1 229577881 UUPXBJQAHICFLA-HYVNUMGLSA-N 341.411 2.896 0 50 EFAA CC(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 253425769 OTBZBLSKCKRVBX-OCCSQVGLSA-N 346.374 2.502 0 50 EFAA CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC23CCOCC3)CC1 253430968 PHOUKRPYNWSEIM-MRXNPFEDSA-N 343.471 2.948 0 50 EFAA Cc1ccc(S(=O)(=O)c2c(CO)c(-c3ccccc3)nn2C)cc1 1386130 XTESZNSYJJGDQR-UHFFFAOYSA-N 342.420 2.721 0 50 EFAA O=C(CCc1ccc2c(c1)OCCO2)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 357444318 UFKDLNCXUHUUKJ-LUKYLMHMSA-N 327.424 2.895 0 50 EFAA CCCN(Cc1nc(C(=O)OCC)no1)[C@@H]1C[C@H](OCC)C1(C)C 328598103 KAVRWKNZJMIDMK-OLZOCXBDSA-N 339.436 2.662 0 50 EFAA Cn1cnnc1[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 328625103 CSWOISWUUCYMMV-CQSZACIVSA-N 333.461 2.503 0 50 EFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCC[C@H](O)C1 219443375 ZELVDVGIKTWNCH-OALUTQOASA-N 330.472 2.533 0 50 EFAA O=C(N1CCC[C@](O)(CO)CC1)C1(c2ccccc2)CCCCC1 72164491 PLJONQWUWKNQMX-LJQANCHMSA-N 331.456 2.624 0 50 EFAA O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc[nH]c(=O)c1 129859386 UYDUKWQQKOTNJT-UHFFFAOYSA-N 334.379 2.827 0 50 EFAA c1cn(CCOc2ccc(CN3CCN4CCCC[C@@H]4C3)cc2)cn1 215351859 KVNFEHYCDQVURW-LJQANCHMSA-N 340.471 2.632 0 50 EFAA COc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc(C)n1 331918071 LILAVCZYNGGNPC-XJKSGUPXSA-N 348.349 2.625 0 50 EFAA Cc1nc(C)n(C[C@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)n1 371415070 ASTXNWIEEWHKQA-GOSISDBHSA-N 336.443 2.950 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 262236409 TUQNWFGVOAOBCY-LBPRGKRZSA-N 343.335 2.726 0 50 EFAA CC[C@@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C 72120935 PEOZDYAEFZCFAQ-CQSZACIVSA-N 348.414 2.722 0 50 EFAA C[C@@H]1[C@@H](NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CCC[C@H]1C 241515701 OHGMILPILSLSEC-SUNKGSAMSA-N 345.468 2.777 0 50 EFAA 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CCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 72148280 VAGCGABVKXVWNU-GOSISDBHSA-N 336.451 2.921 0 50 EFAA C[C@@](NC(=O)c1ncccc1Cl)(C(N)=O)c1cccc(Cl)c1 342199705 BGRHBVZBMDWVMC-HNNXBMFYSA-N 338.194 2.519 0 50 EFAA Cc1cc(Br)cnc1NC(=O)N(C)Cc1cnn(C)c1 133668779 AZCSRYVUQUVSET-UHFFFAOYSA-N 338.209 2.550 0 50 EFAA COc1ccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1 221039805 AYYGDDNJPIPCPO-UKRRQHHQSA-N 335.400 2.948 0 50 EFAA COc1ccccc1OC1CN(C(=O)[C@@H](O)c2cccc(Cl)c2)C1 222769464 WXUZCTJWNVLAAQ-KRWDZBQOSA-N 347.798 2.672 0 50 EFAA CCN(C(=O)c1ccc(-n2cncn2)c(C)c1)[C@H]1CCOC(C)(C)C1 291711054 VHEQJJDHKLGUQB-INIZCTEOSA-N 342.443 2.995 0 50 EFAA Cn1ncc(C(=O)NC2CCCCC2)c1C(=O)NC1CCCCC1 20616279 XIUIPNKIKYHDAJ-UHFFFAOYSA-N 332.448 2.545 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)O 223220755 LTFVFKGDIZPNRH-TVQRCGJNSA-N 333.306 2.743 0 50 EFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)NCc3ccc(C(F)(F)F)cc3)C[C@H]12 426722728 WXLKFTKCCSNQSJ-QKDCVEJESA-N 341.377 2.654 0 50 EFAA 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CC1(C)CC[C@H](NC(=O)C[C@H]2C=CS(=O)(=O)C2)Cc2ccccc21 1875301372 GYLCPZIAIILOGP-ZBFHGGJFSA-N 347.480 2.734 0 50 EFAA CC(C)N(C)C(=O)N1CCC[C@@H](c2ncc(Br)cn2)C1 952993917 LPWRXQMHYSUORH-LLVKDONJSA-N 341.253 2.879 0 50 EFAA O=C(N=c1ccn(-c2ncccc2Cl)[nH]1)c1cccnc1C1CC1 1875259070 VLKGFEHHBVFPTQ-UHFFFAOYSA-N 339.786 2.867 0 50 EFAA O=C(O)[C@@H]1CS[C@@H](c2ccncc2)N1Cc1ccc2c(c1)CCO2 1875283177 IKTFIAIHVLFPGI-RDJZCZTQSA-N 342.420 2.717 0 50 EFAA Cc1cc(N)n(CC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n1 952962536 GAIRPMQATSPJED-SNVBAGLBSA-N 326.322 2.670 0 50 EFAA Cc1ccccc1NC(=O)CCNCc1cc2ccccc2n(C)c1=O 952983867 SGEJTBODZOYPGW-UHFFFAOYSA-N 349.434 2.965 0 50 EFAA CC(C)(C)OC[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1 895660223 OLXWDCYVMILLOK-JTQLQIEISA-N 325.363 2.846 0 50 EFAA O=C(CCc1ccc(O)cc1)N1CCC[C@H](c2noc(C3CC3)n2)C1 274072076 VDLIEIKIGNJQLS-HNNXBMFYSA-N 341.411 2.991 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1CC[C@@H](Oc3ccccn3)C1)CC2 277802042 ZFAKFXSLNJXNQY-SJORKVTESA-N 338.407 2.800 0 50 EFAA CC(C)(CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(=O)O 170069020 YIDATBIDNOIOFH-JTQLQIEISA-N 342.798 2.675 0 50 EFAA Cc1nccc(N2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)n1 278684299 IZEJGQVOSGEYHM-UHFFFAOYSA-N 337.349 2.521 0 50 EFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccnc2ccccc12 170592639 QJCBATOFEOEYHY-GOSISDBHSA-N 331.375 2.898 0 50 EFAA CC(C)(C(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 171823600 OIMIGTBQVDAVPE-UHFFFAOYSA-N 330.472 2.535 0 50 EFAA O[C@H](c1ncc[nH]1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 302781234 RXUNIGKVIOWZRL-ZDUSSCGKSA-N 326.322 2.774 0 50 EFAA CC(C)[C@H]1OCCC[C@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 408474459 YHLCNCDOTPSTJJ-SFANZJOMSA-N 346.471 2.779 0 50 EFAA Cc1cc(C)c(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c(C)n1 110191669 XMYQVIQBGNOINY-UHFFFAOYSA-N 349.394 2.544 0 50 EFAA O=c1cc(CN(C[C@@H]2CCOC2)c2ccccc2)nc2sccn12 225540718 ZMXVDEGAFORUKF-AWEZNQCLSA-N 341.436 2.799 0 50 EFAA Cc1nc(COc2cccc(C(=O)N3CCC[C@@H](N)C3)c2)cs1 191362028 QFIQJTVLDXVCOA-CQSZACIVSA-N 331.441 2.594 0 50 EFAA COc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(I)c1 192433023 OGFNSWWIRXVOKF-RDDDGLTNSA-N 346.168 2.830 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)c2csc(C(C)C)n2)(C(=O)O)C1(C)C 193031553 FVABNKPPRUTPDE-MEDUHNTESA-N 340.445 2.655 0 50 EFAA C[C@]1(C(=O)N2CCN(Cc3cccnc3)CC2)CCc2ccccc21 648725461 MVPUVNGSZLBLRD-NRFANRHFSA-N 335.451 2.630 0 50 EFAA O=C(Cc1cn2c(n1)CCCC2)Nc1ccc2oc(C(=O)O)cc2c1 652067640 BQKYUDVTAKFGGD-UHFFFAOYSA-N 339.351 2.845 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1[C@H]3CC[C@H]1[C@H](C(=O)O)C3)CCC2 655544874 USIBMEHAGXYHMC-SDNTUTLCSA-N 329.396 2.579 0 50 EFAA COc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1O 67788833 FUSVHWZAHIUIEN-UHFFFAOYSA-N 337.379 2.576 0 50 EFAA CCCCOc1ccccc1C(=O)N(CCN(C)C)Cc1cnc[nH]1 1704334322 HTSOWCNNYJXYHB-UHFFFAOYSA-N 344.459 2.793 0 50 EFAA CCC[C@]1(C(=O)O)CN(CCOc2cccc(C)c2C)CC[C@H]1O 1704299040 MACFNCXSFCFUIZ-MJGOQNOKSA-N 335.444 2.620 0 50 EFAA N[C@H](Cc1ccccc1)c1nnc(N2CCOc3ccccc3C2)o1 1772710182 OYRQSPFVJMIJHU-MRXNPFEDSA-N 336.395 2.711 0 50 EFAA COc1ccccc1CN[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 11661923 RJBQEOFTSYTYHD-SFHVURJKSA-N 336.435 2.553 0 50 EFAA CN(Cc1cccc2cnccc12)c1nc2nonc2nc1NC1CC1 12002908 YVRCZGRYBUONIN-UHFFFAOYSA-N 347.382 2.772 0 50 EFAA COC(=O)C1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 12612599 DBCSPQIPVVCYMY-UHFFFAOYSA-N 349.818 2.699 0 50 EFAA Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)no1 12715500 XULRGFJFDHSYNA-CQSZACIVSA-N 333.432 2.561 0 50 EFAA CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 13881386 PXFWEXFBYBAARJ-UKTHLTGXSA-N 335.381 2.685 0 50 EFAA O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1csnn1 14964084 WPHUBZBRMZBAJR-JTQLQIEISA-N 345.453 2.547 0 50 EFAA Cc1ccn(CCC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)n1 14971596 TXYOSHPDDOLVSC-KRWDZBQOSA-N 332.492 2.885 0 50 EFAA Cc1nnc(CN2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)o1 1857669954 GLEXVEAUYJWABR-DLBZAZTESA-N 343.427 2.625 0 50 EFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCc2c[nH]nc2C1 1857671568 IJULFHJAKCCFBI-AWEZNQCLSA-N 339.374 2.535 0 50 EFAA c1cc(-c2nccn2[C@H]2COC3(CCNCC3)C2)cc(-n2cccn2)c1 1857700804 MGJNDBMSBHZGNV-GOSISDBHSA-N 349.438 2.819 0 50 EFAA COc1ccc(CNS(=O)(=O)Cc2noc3ccccc23)cc1C 225585732 DTNDBDUHVPLGIY-UHFFFAOYSA-N 346.408 2.764 0 50 EFAA COc1ncc(NC(=O)N2CC[C@@H](C)CC[C@H]2C(C)C)cc1C(N)=O 119771339 GDFBCRIUTZJJBQ-WFASDCNBSA-N 348.447 2.868 0 50 EFAA COc1ccc(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)cc1OC 643707036 NELNJGUAWVEXCF-MRXNPFEDSA-N 342.443 2.897 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(c2ccc(C(=O)O)cn2)CC1 647453389 FHKMABNDINQCPB-QGZVFWFLSA-N 340.427 2.666 0 50 EFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1nnc2n1CCOC2 253417442 OEEBTQPBLFASNZ-ZBFHGGJFSA-N 342.443 2.790 0 50 EFAA COCCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CCCCC1 368527337 XUSJQQHUGICUJP-SJORKVTESA-N 337.508 2.709 0 50 EFAA O=C(CN1CCC[C@H]1C(=O)O)NCC1(c2ccccc2)CCCCC1 262645218 JYCLKYNSRLIKQG-KRWDZBQOSA-N 344.455 2.554 0 50 EFAA CC1(C)CCC[C@@H](CS(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)O1 901654844 ZPPMLSYJOJMOCV-NSHDSACASA-N 345.392 2.613 0 50 EFAA Cn1ncc(C(=O)O)c1C(=O)NCC(C)(C)Cc1cccc(Cl)c1 901774805 NEHYTBVAQKAYHI-UHFFFAOYSA-N 349.818 2.770 0 50 EFAA O=C(CC1=CCCCC1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818495205 SXLLYJGOTATGDI-IBGZPJMESA-N 345.443 2.734 0 50 EFAA CC(=O)N1CCC(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)CC1 931170032 CFXJQFFMIOZTKQ-NRFANRHFSA-N 343.515 2.840 0 50 EFAA COc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)cc1Cl 100085756 TVHTZAWCNONWKO-WDQYXFPCSA-N 333.771 2.669 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 3856199 CKYPDKIHEDSKEA-CYBMUJFWSA-N 331.299 2.500 0 50 EFAA O=C(Nc1cccc2c1CNCC2)c1cc(O)nc2ccc(F)cc12 2325721751 LRLNZXMLMDENAL-UHFFFAOYSA-N 337.354 2.978 0 50 EFAA O=C(NCc1cccc2c1CCCN2)NC[C@H](O)c1ccc(F)cc1 841992942 CHZYRWZQNACAJQ-SFHVURJKSA-N 343.402 2.717 0 50 EFAA O=C(c1cccc(-c2ncon2)c1)N1CCC[C@H]1c1cccnc1O 2325849777 ZXZSIXGRJLXQPB-HNNXBMFYSA-N 336.351 2.815 0 50 EFAA Cc1nccn1S(=O)(=O)c1ccc(Cl)cc1Br 51700 UPVFYZJRZOAVCR-UHFFFAOYSA-N 335.610 2.844 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1F 202292 GKFVCXFKRWHYTO-CQSZACIVSA-N 334.372 2.649 0 50 EFAA COc1cc(NC(=O)COc2cccc(C)c2)c(C(=O)O)cc1OC 237522 VEBGIFDKNOHANY-UHFFFAOYSA-N 345.351 2.728 0 50 EFAA biogenic CCOc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1 610670 BDZRHIJDTYQMFQ-UHFFFAOYSA-N 349.412 2.637 0 50 EFAA O=C([C@@H]1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1056312 AHPBPJPRMAZSQR-AWEZNQCLSA-N 329.227 2.821 0 50 EFAA O=C(Cn1c(=O)sc2ccccc21)OCCOc1ccccc1 3107044 OZXPWOGVVPNOIP-UHFFFAOYSA-N 329.377 2.685 0 50 EFAA O=C(NC1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 6702749 XTTWTRKHTZRNSU-UHFFFAOYSA-N 338.363 2.748 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(C)cc1)CC2=O 10339440 OIWWIZAGOAWNOB-ZDUSSCGKSA-N 325.364 2.773 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(CCC(=O)N(C)c2ccccc2)C1 135022621 QCSOLPPSVPZPLV-MRXNPFEDSA-N 341.459 2.531 0 50 EFAA Cc1ccc(-n2nc(C(=O)N[C@@H](C)[C@H](C)O)c3c2CCCC3)cc1 346501640 ZYSPVIWURBMHMB-KBPBESRZSA-N 327.428 2.559 0 50 EFAA CCn1cc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cn1 248636928 QNDCSEKEBOTZNB-HRCADAONSA-N 334.464 2.638 0 50 EFAA O=C(CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 52537669 DPZDJGRIQFGMEL-UHFFFAOYSA-N 338.407 2.810 0 50 EFAA Cc1c(C(=O)N2CCN([C@H]3CCOC3)CC2)sc2ccccc12 348255756 JLRJMFWKEQUCIQ-AWEZNQCLSA-N 330.453 2.756 0 50 EFAA CC1=NO[C@@](C)(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)O)c2)C1 65385803 JBMYJBOBPVLAHF-GOSISDBHSA-N 342.351 2.894 0 50 EFAA CC1(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)Cc2ccccc2C1 348758239 ZVYCOHDRYNKSFT-GOSISDBHSA-N 334.419 2.955 0 50 EFAA CC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@H](C)NC(=O)N1 67964710 XCVDSVSYXQZNDF-VIFPVBQESA-N 341.333 2.639 0 50 EFAA C=Cn1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(OC)cc4)c32)cn1 65385196 ZTZASTZHJYWAEI-AWEZNQCLSA-N 335.367 2.856 0 50 EFAA Cc1ccc(F)cc1CC(=O)NCc1csc(-c2cnccn2)n1 67879245 FKYODHHAPNFNCL-UHFFFAOYSA-N 342.399 2.907 0 50 EFAA CCc1cc2c(N3[C@H](C(N)=O)C[C@@H]4CCCC[C@H]43)ncnc2s1 252005166 OIKKMZMEWYWOJM-GDLCADMTSA-N 330.457 2.877 0 50 EFAA Cc1ccsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328650625 VOUPDBIXIGASTM-GJZGRUSLSA-N 348.447 2.531 0 50 EFAA CC(=O)N(C1CCC1)[C@@H]1CCCN(Cc2nc(C3CC3)no2)CC1 328648467 UPJAZDUQSWOPNN-MRXNPFEDSA-N 332.448 2.703 0 50 EFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc4c3CCC4)CCO2)o1 328612783 PXBDXWHMLLIWHV-INIZCTEOSA-N 341.411 2.895 0 50 EFAA CN(C(=O)Nc1ccnc(OCc2ccccc2)c1)[C@@H]1CCOC1 282917028 YFBPWNVRHDYFKM-MRXNPFEDSA-N 327.384 2.913 0 50 EFAA COc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 39532325 YMPFUCNEVJDGQR-QGZVFWFLSA-N 346.496 2.826 0 50 EFAA O=C(NCc1ccc(Br)s1)N[C@H]1CCO[C@H]1C1CC1 253415925 FJSRDHLMPNGZTB-JQWIXIFHSA-N 345.262 2.877 0 50 EFAA CC1(C)SC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 253432500 KUEBXLFMLJEYRA-GFCCVEGCSA-N 343.832 2.692 0 50 EFAA CC(C)(CN1CCOCC1)NC(=O)[C@]1(c2ccccc2F)CC1(C)C 215866401 HMJUZJXGNPZJFG-HXUWFJFHSA-N 348.462 2.720 0 50 EFAA O=C(Nc1nc(-c2cccnc2)cs1)N1CC[C@@]2(CCOC2)C1 150830675 KFMCPTVTHCXXCW-MRXNPFEDSA-N 330.413 2.849 0 50 EFAA Cc1cc(C)nc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c1 153867778 RVBNRLONHULOEW-LJQANCHMSA-N 339.439 2.835 0 50 EFAA O=C1C[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CN1 331520980 KHXCLILGUBSQOU-FPMFFAJLSA-N 340.345 2.594 0 50 EFAA CCOC(=O)c1cnc2c(c(C)nn2C)c1N[C@H]1CCOC(C)(C)C1 154542101 UKUMHBMLNARWTP-LBPRGKRZSA-N 346.431 2.823 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=N)O)ccc21 333459145 UCVOTHLMJPTLMD-SLEUVZQESA-N 341.411 2.692 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=N)O)ccc21 333459149 UCVOTHLMJPTLMD-ZOWXZIJZSA-N 341.411 2.692 0 50 EFAA Cc1ccc(CN2CCC[C@@H]2Cn2cncn2)c(-c2ccnn2C)c1 367272641 WBCXGCHKSGUDCC-QGZVFWFLSA-N 336.443 2.652 0 50 EFAA Nc1nccc([C@@H]2CCCN(Cc3nc4ccc(F)cc4o3)C2)n1 367213665 OTKYQXABHQGDBG-LLVKDONJSA-N 327.363 2.719 0 50 EFAA Nc1nccc(N[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 72472855 LMVGULCSVJTZFT-NSHDSACASA-N 326.429 2.749 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CCC(=O)O 237529736 OHKVLEFRHWGATM-JTQLQIEISA-N 333.363 2.611 0 50 EFAA CC1(C)CN(C(=O)Cc2cn3ccsc3n2)C[C@@H](C(F)(F)F)O1 343938145 FOICSORFAYNXES-JTQLQIEISA-N 347.362 2.507 0 50 EFAA Cc1ccc2[nH]c(CNC(=O)CSC[C@@H]3CCCCO3)nc2c1 174902260 GWTAZQLSWKRDHI-ZDUSSCGKSA-N 333.457 2.790 0 50 EFAA CC(C)[C@@H]1NC(=O)N(c2ccnc(OCc3ccccc3)c2)C1=O 285862565 CFHPHDJLISFGLV-INIZCTEOSA-N 325.368 2.741 0 50 EFAA O=C(c1cccc(CO)n1)N1CCC[C@H](COc2ccc(F)cc2)C1 72428935 GEZHXBMIYSEJGL-AWEZNQCLSA-N 344.386 2.644 0 50 EFAA O=S(=O)(N1CCCC1)N1CCCC[C@H]1CCc1ccc(O)cc1 72167835 RPFZOTMKMHTSHC-INIZCTEOSA-N 338.473 2.520 0 50 EFAA Cn1nc(C(F)(F)F)cc1C(=O)NCCc1c[nH]c2ccccc12 13959894 PPTFPULVRRBUOB-UHFFFAOYSA-N 336.317 2.893 0 50 EFAA CN(C(=O)CN1CC[C@@H](N2CCCC2)C1)[C@H]1CCCc2ccccc21 245395749 IVINTEAEXWHJLR-QUCCMNQESA-N 341.499 2.693 0 50 EFAA COc1ccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)c(OC)c1 48148056 YYXXHIGDVJVBAE-UHFFFAOYSA-N 335.367 2.887 0 50 EFAA O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(-n2cccn2)c1 138617836 XBJDOHNHZYSKMR-UHFFFAOYSA-N 344.374 2.826 0 50 EFAA Cc1nccn1CC[C@@H](NC(=O)CN1CCCC1)c1ccccc1 223447300 SYVIBXLRSXRNQC-GOSISDBHSA-N 326.444 2.535 0 50 EFAA CC(C)=CCN1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO 20599928 IGOJKWAEYOPVQD-INIZCTEOSA-N 346.500 2.526 0 50 EFAA Cc1nc2ccccn2c1C(=O)NCc1nncn1C1CCCCC1 223554948 DJYKWRQDZSXQJD-UHFFFAOYSA-N 338.415 2.669 0 50 EFAA COC(=O)[C@@H]1CN(C(=O)c2scnc2C2CC2)c2ccccc21 179016760 GNKVNNLCLHAZCN-GFCCVEGCSA-N 328.393 2.938 0 50 EFAA Cc1ccc(CCCNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 426377839 BRMKZLYPKLFUKI-IBGZPJMESA-N 345.443 2.554 0 50 EFAA Cc1cccc(CCSc2nnc(CN)n2Cc2ccccc2)n1 426360125 JCJHYKBCPFYCHV-UHFFFAOYSA-N 339.468 2.823 0 50 EFAA O=c1[nH]c2ccccc2n1C1CCN(Cc2cnn3ccccc23)CC1 179783124 UDHFUTHOKUHNMS-UHFFFAOYSA-N 347.422 2.814 0 50 EFAA CSc1ccccc1CN1C[C@H](CO)[C@H](CN2CCCCC2)C1 91933824 JJXUYFKAKKSFNF-QZTJIDSGSA-N 334.529 2.935 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CCN[C@@H](c2ccccc2)C1 97499497 LLMTZERBZHABLO-HXUWFJFHSA-N 346.434 2.718 0 50 EFAA Cc1cccc([C@H](C(=O)NCCn2nc(C)c(C)c2C)N(C)C)c1 95355095 UDQQXZFDFBSUNJ-GOSISDBHSA-N 328.460 2.536 0 50 EFAA Cc1cccc(CC2(NC(=O)C[C@H]3CN(C(C)C)CCO3)CC2)c1 97681691 QSJZALHMYDZQHC-SFHVURJKSA-N 330.472 2.686 0 50 EFAA CCCN1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95504031 YMDJABCRMGJWIC-GOSISDBHSA-N 344.503 2.632 0 50 EFAA CCc1nccn1CC(=O)N1CCC[C@@H]1c1nc2c(C)cccc2[nH]1 244659623 HGANFSGFCPUJHB-OAHLLOKOSA-N 337.427 2.994 0 50 EFAA Cn1ccnc1-c1cncnc1C1CCN(C(=O)OC(C)(C)C)CC1 526056006 RSDGKRNIUYQYJR-UHFFFAOYSA-N 343.431 2.992 0 50 EFAA Cn1ncnc1S[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 184700269 IHSCMCMKYQXONY-LLVKDONJSA-N 342.346 2.732 0 50 EFAA c1cncc(-c2cc(CN3CCN(C4CCSCC4)CC3)on2)c1 252509588 YQUKYWGSASIHAK-UHFFFAOYSA-N 344.484 2.750 0 50 EFAA Cc1cccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)nc12 299793047 IDCYPGLWCBHUBJ-OAHLLOKOSA-N 341.411 2.525 0 50 EFAA Cc1nc(C)n(CCCNC(=O)Nc2ccnn2[C@H](C)C(C)C)n1 299795166 KAMIMSJFQJUWEA-GFCCVEGCSA-N 333.440 2.520 0 50 EFAA Cc1ccc(-c2ccc(C(=O)NCCN3CCC(CO)CC3)cc2)o1 299784824 JOBOKUUMJKUSIY-UHFFFAOYSA-N 342.439 2.689 0 50 EFAA CC1(C(=O)N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)COC1 584902970 MTEOAURXEUWZFY-NRFANRHFSA-N 342.483 2.928 0 50 EFAA CC1(C)C[C@H](C(=O)N2CCC[C@@H](n3nccn3)C2)[C@H]1C(F)(F)F 1875404750 TVGUWZVTGSPWBO-GRYCIOLGSA-N 330.354 2.666 0 50 EFAA Cc1nc2ccccc2cc1C(=O)N1CCNC[C@@H]1CC(F)(F)F 1875308275 XNXZBBBUNPFGKZ-ZDUSSCGKSA-N 337.345 2.910 0 50 EFAA C=CC(=O)N(C)CC(=O)N[C@H](CC)c1ccc2c(c1)CC(C)(C)O2 1875366194 FHALBCQVACLESA-OAHLLOKOSA-N 330.428 2.612 0 50 EFAA CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2ncccn2)Cc2ccccc21 1875330410 WUQUTZPVRCGTAR-UWWQBHOKSA-N 336.439 2.743 0 50 EFAA CC[C@@H](NC(=O)Cc1cccc(O)c1)[C@@H](O)c1c(F)cccc1F 272248548 OTABPVRBNSEJFG-CRAIPNDOSA-N 335.350 2.841 0 50 EFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)c2ncccc2C)c1 952969533 FENXPVORJHOOCT-UHFFFAOYSA-N 333.775 2.881 0 50 EFAA CC(C)n1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)n1 952962305 DLHRVSRPLRMNDI-UHFFFAOYSA-N 326.400 2.537 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCc2ccccc21 952861564 IDPZXLFDOJVUDH-INIZCTEOSA-N 334.379 2.944 0 50 EFAA Cc1noc([C@H]2OCC[C@H]2CNc2nc3ccccc3nc2C)n1 888078649 GTZYLFPFKUPRDO-WFASDCNBSA-N 325.372 2.819 0 50 EFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1c2c(nn1C)CCCC2 890457930 FJDFAPDQTDZEOZ-UHFFFAOYSA-N 349.438 2.961 0 50 EFAA Cc1nc2ccccn2c1CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 890853869 UGVQJTWQMIKDFA-UHFFFAOYSA-N 348.406 2.802 0 50 EFAA c1cc(-c2csc(C3CCN(Cc4cnon4)CC3)n2)ccn1 1333772959 RWTMJTQHOJRBDI-UHFFFAOYSA-N 327.413 2.968 0 50 EFAA CC(C)[C@H]1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@@H]1N(C)C 1565515972 YQRKLIDLLQCBJK-PBHICJAKSA-N 346.450 2.679 0 50 EFAA Cc1cc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)ccn1 274409095 ZPWNQTKBXFRBJV-UHFFFAOYSA-N 344.846 2.804 0 50 EFAA CC1(CS(=O)(=O)NCc2nncn2-c2ccccc2)CCCCC1 274660038 VIYIPQFEQQSSHX-UHFFFAOYSA-N 348.472 2.657 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NCc2cc3ccccc3nc2O)CCO1 275500596 JOYRWUFVBPBEJU-CRAIPNDOSA-N 338.411 2.684 0 50 EFAA Cc1nn(-c2ccccc2)cc1CN[C@H]1CCO[C@@H]1c1nccn1C 275525244 LKRQGBAKLFBMAR-ROUUACIJSA-N 337.427 2.534 0 50 EFAA C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Cc2c[nH]c3ncccc23)C1 170079284 KMGHLSYRDCRQGK-DJJJIMSYSA-N 329.444 2.799 0 50 EFAA CCCCC[C@H](NC(=O)c1cnn(-c2ccccc2F)c1)C(=O)O 170592116 PMLCDMQPJMXZNQ-AWEZNQCLSA-N 333.363 2.775 0 50 EFAA O=C(NC[C@@H]1CCCS1(=O)=O)N1CCCC2(CCCCC2)CC1 170604942 AGBDSIYQAMFKMA-HNNXBMFYSA-N 342.505 2.710 0 50 EFAA CO[C@H](C)c1cccc(NC(=O)N2CCC(c3nncn3C)CC2)c1 171176070 WEXDFINUORXIMH-CYBMUJFWSA-N 343.431 2.934 0 50 EFAA Cc1cc(C)n(Cc2cccc(C(=O)N[C@H]3CCc4[nH]ncc4C3)c2)n1 172038570 TYUFCBDKGLLLLA-SFHVURJKSA-N 349.438 2.559 0 50 EFAA C[C@]1(c2cccnc2)NC(=O)N(Cc2cc(F)ccc2Cl)C1=O 188220940 XMUIQBRFULVTEL-MRXNPFEDSA-N 333.750 2.841 0 50 EFAA Cc1ccccc1OCCN(C)C(=O)Cc1n[nH]c2c1CCCC2 188284185 YJGIHJLZLYFNBM-UHFFFAOYSA-N 327.428 2.677 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3nncn3c1)[C@H]2C 679768611 DJKKTQUUCUPOOJ-OLZOCXBDSA-N 336.395 2.886 0 50 EFAA CC[C@@H](C(=O)O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 191427729 RGOXZGGEEHFUHK-INIZCTEOSA-N 345.468 2.791 0 50 EFAA Cc1cc(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)[nH]n1 192245442 TXMSNKJKQQTZMR-UHFFFAOYSA-N 327.388 2.907 0 50 EFAA CCN(CC(=O)Nc1c(F)cccc1F)c1ncnc2onc(C)c12 195505638 XAPPMDAUDZPEPB-UHFFFAOYSA-N 347.325 2.669 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(C)n1 655546898 DOVQSXXLDHNSPD-DDTOSNHZSA-N 333.432 2.519 0 50 EFAA CCn1cc(CNC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)nn1 661719176 SNXHKYRJWHULCO-LRDDRELGSA-N 331.395 2.730 0 50 EFAA O=C1CC2(CCCC2)C(=O)N1CN1CCc2cc(Cl)ccc2C1 790441763 OWBKHFSQWJLREA-UHFFFAOYSA-N 332.831 2.975 0 50 EFAA CCc1cc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)on1 1704314824 VCQJMTIZBKPKCA-LJQANCHMSA-N 341.459 2.573 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772812234 DJKCSRCMHWNVNE-UHFFFAOYSA-N 346.452 2.972 0 50 EFAA c1ccc(CC[C@@]23CNC[C@@H]2CN(C2CSCCSC2)C3)cc1 1772706036 OGSFAIWPFFJWCD-MJGOQNOKSA-N 348.581 2.989 0 50 EFAA O=C(CCc1cccnc1)N1CCO[C@@H](Cc2cccc(F)c2)C1 12074719 TUOUROULSPOLRA-SFHVURJKSA-N 328.387 2.623 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(F)cc2)c1 12404397 WHWJRRAGLMNQEA-KRWDZBQOSA-N 342.370 2.987 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2=O)c1 12430038 JVZNTODILKRGGX-FQEVSTJZSA-N 343.471 2.928 0 50 EFAA O=C(NC[C@H]1CCCCO1)c1coc(COc2ccc(F)cc2)n1 12469570 FZLOILGTTDBOIG-CQSZACIVSA-N 334.347 2.692 0 50 EFAA COC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 14397577 JBWSZMVAKWBCPO-UHFFFAOYSA-N 340.379 2.562 0 50 EFAA O=C1C[C@H](NCCc2ccccc2Cl)C(=O)N1c1ccccc1 19372939 VBJDWKGJQJGZLK-INIZCTEOSA-N 328.799 2.804 0 50 EFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cnc(C)cc3C2)c1C 1857679920 AORJADSNUJFCMH-UHFFFAOYSA-N 327.384 2.668 0 50 EFAA CNCC(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC 225473348 WTSOBKWCZQVITQ-SFHVURJKSA-N 348.830 2.782 0 50 EFAA CC1=CCC[C@H](C)[C@@H]1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 328631410 QVSNSFWCVWFBBN-MFWIUYSUSA-N 330.476 2.522 0 50 EFAA CCCOc1c(Cl)cc(CNCC2(O)CCOCC2)cc1OC 237018719 DXXFUPSGWHBAJD-UHFFFAOYSA-N 343.851 2.769 0 50 EFAA Cc1nn(C)c2ncc(NC(=O)N3CCCO[C@@H](C(C)C)C3)cc12 652303808 WUBLQSMSBOLPCK-OAHLLOKOSA-N 331.420 2.556 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 347930152 UHDRAQSIAXSXHN-CABCVRRESA-N 342.361 2.677 0 50 EFAA O=C(Nc1cc(C(F)(F)F)c2cn[nH]c2c1)c1cn2c(n1)CCC2 1652253534 ZGPWZJFTRXTMTA-UHFFFAOYSA-N 335.289 2.977 0 50 EFAA CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CC(=O)O)C1 903560980 MKKLWDIIXBKRJZ-QWHCGFSZSA-N 339.457 2.906 0 50 EFAA C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1nnc2ccccn12 929549590 GGHZDDKFAHTSHI-SNVBAGLBSA-N 349.316 2.563 0 50 EFAA O=C(Nc1ccc(Br)cc1)N1CCC2(CC1)OCCO2 5152350 DKJPRPJHALRUJF-UHFFFAOYSA-N 341.205 2.820 0 50 EFAA CC(C)(NS(C)(=O)=O)c1noc(-c2ccc(C(F)F)c(F)c2)n1 904036927 XRAXWBKZIGRFLY-UHFFFAOYSA-N 349.334 2.598 0 50 EFAA Clc1ccnc2c1CCC[C@@H]2Sc1nnnn1[C@@H]1CCOC1 2325772674 NXXOKJNGELXFRR-SKDRFNHKSA-N 337.836 2.853 0 50 EFAA CCc1ccc(S(=O)(=O)N2CCn3c(nc4c3CCCC4)C2)cc1 2325782677 UZRCSNJUMLECFS-UHFFFAOYSA-N 345.468 2.529 0 50 EFAA O=C(O)Cc1ccc2c(c1)N(C(=O)[C@@H]1CCOc3ccccc31)CC2 2325808252 JJOJGHOISAMQFK-MRXNPFEDSA-N 337.375 2.769 0 50 EFAA CN(C)Cc1ccc(NC(=O)c2cc3c[nH]cnc-3n2)cc1Cl 2325856306 JSBNGCOQMXPCFO-UHFFFAOYSA-N 329.791 2.877 0 50 EFAA COc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1 198097 BUPBXYYIDSJAKY-UHFFFAOYSA-N 332.363 2.888 0 50 EFAA COC(=O)c1cccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 243152 HTQWURAZDXSEFU-HNNXBMFYSA-N 340.379 2.571 0 50 EFAA COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 440064 OGTZIFANOFIZTI-UHFFFAOYSA-N 339.800 2.708 0 50 EFAA CCc1ccccc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O 443797 YKHYBHLXBMWYRV-UHFFFAOYSA-N 346.452 2.962 0 50 EFAA COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 2994293 KUUHVUAXWWKMAR-UHFFFAOYSA-N 332.787 2.912 0 50 EFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1 4454637 QABSANMQMALING-UHFFFAOYSA-N 331.803 2.706 0 50 EFAA O=C(Cc1ccccc1)Nc1ccc(I)cn1 4866003 ZZTXYMWTQIPFKP-UHFFFAOYSA-N 338.148 2.867 0 50 EFAA COc1cccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)c1 8247651 HLRXKHJQOBMGQV-LLVKDONJSA-N 346.333 2.965 0 50 EFAA CCc1nn(C)c(Cl)c1CN(Cc1cccnc1)[C@@H](CC)CO 55195517 DXPWWTWGNJMJAN-AWEZNQCLSA-N 336.867 2.804 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 101749269 CDHYVNVXAYOGLM-COPLHBTASA-N 331.368 2.635 0 50 EFAA COCCOC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 116826076 KFAWDRIOUYPMTB-UHFFFAOYSA-N 331.334 2.973 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)C2CCC2)c(C)cc1Br 117105569 IYAJVKGYWCCAQF-UHFFFAOYSA-N 346.246 2.671 0 50 EFAA O=C(NC[C@@H]1CCN(Cc2ccco2)C1)c1ccc(O)c(Cl)c1 67955088 FPMPWHOFOZXVSS-LBPRGKRZSA-N 334.803 2.891 0 50 EFAA COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CCOC1 63848758 DKUBAFFKHAPZJY-QGZVFWFLSA-N 326.396 2.656 0 50 EFAA CCn1c([C@@H]2CCCNC2)nn(Cc2ccc(C(C)C)cc2)c1=O 67846951 SYZIXSPQKSFNRP-QGZVFWFLSA-N 328.460 2.703 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@@H](O)C2CCCC2)cc1 229708485 VWUHTZHUIRNKNX-OAUYIBNBSA-N 330.428 2.562 0 50 EFAA C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2ccncn2)C1 229748890 NLACYSOOCZOHOG-UONOGXRCSA-N 335.411 2.654 0 50 EFAA O=C(NCc1ccn(-c2ccccc2)n1)c1cc(O)nc(C2CC2)c1 352996669 ZDZAPOFJYPZFAU-UHFFFAOYSA-N 334.379 2.780 0 50 EFAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)c1cccc(F)c1 252517237 CMUMLKZWEPGZEK-XJKCOSOUSA-N 328.453 2.536 0 50 EFAA CC(C)(C)c1cnc(NC(=O)N2CCC[C@H](n3cncn3)C2)s1 333474594 RPJFSTUCMNWIMY-NSHDSACASA-N 334.449 2.901 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3coc4ccccc34)C2)n1 328645591 SDMRGKJUWVRSFW-HNNXBMFYSA-N 338.411 2.826 0 50 EFAA CCOC(=O)c1csc(=O)n1Cc1nc2cc(F)ccc2n1CC 128047724 KCHNOYNWOYKGKB-UHFFFAOYSA-N 349.387 2.644 0 50 EFAA CC[C@@H](C)[C@@H](N)C(=O)N1CCc2n[nH]c(-c3ccc(F)c(F)c3)c2C1 67741581 CPZGMVFGIOOXHB-QLJPJBMISA-N 348.397 2.613 0 50 EFAA CC1(C)C(O)=N[C@@H]1C1CCN(C(=O)c2cc(O)nc(C3CC3)c2)CC1 329484816 WWISCNIEQIRUFZ-MRXNPFEDSA-N 343.427 2.882 0 50 EFAA CCc1nnc2ccc(N3C[C@H](c4ccccc4C)OC[C@H]3C)nn12 253423038 CFFVXZACHITCOB-GDBMZVCRSA-N 337.427 2.962 0 50 EFAA Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2n1 3077478 UJSFKBQYVJAODI-UHFFFAOYSA-N 345.358 2.778 0 50 EFAA biogenic Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 329855619 UDQNBVOJDVPRSM-GJZGRUSLSA-N 348.834 2.898 0 50 EFAA COc1ncc(C(=O)NC2(c3noc(C)n3)CCCC2)cc1Cl 283815230 JEVQWNRFIDDODQ-UHFFFAOYSA-N 336.779 2.634 0 50 EFAA Cc1cc(NCc2noc(Cc3ccccc3)n2)n2nc(C)cc2n1 72408910 YLTSAMCTOVLFKS-UHFFFAOYSA-N 334.383 2.932 0 50 EFAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)n1C 72478534 JFUSWNPUCFFEDU-MRXNPFEDSA-N 347.507 2.553 0 50 EFAA COc1ccc(-c2noc([C@@H](C)S(=O)(=O)c3ccccn3)n2)cc1 128443063 WSFKDGZMQVZHBG-LLVKDONJSA-N 345.380 2.675 0 50 EFAA O=c1c2ccccc2ncn1CCN1CCS[C@H]2CCCC[C@H]21 246185605 USECPJFLHMONOD-SJORKVTESA-N 329.469 2.757 0 50 EFAA CNC(=O)c1cccc(NCC2(c3ccccc3)CCOCC2)n1 74281736 RQDVTMCKZOBGKS-UHFFFAOYSA-N 325.412 2.602 0 50 EFAA Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)o1 371979144 PLTSJDXEYRETSG-CYBMUJFWSA-N 337.383 2.788 0 50 EFAA COc1ccc2c(c1)N(Cc1ccc(C(=O)N(C)C)[nH]1)C[C@@H](C)O2 131292670 FKHVSDNJVOREMY-GFCCVEGCSA-N 329.400 2.513 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCCCCOCc1ccccc1)CC2 241774092 RMZITSOEFCEPLK-OALUTQOASA-N 345.487 2.862 0 50 EFAA O=C(O)CCc1cc2n(n1)CCCN(CCSc1ccccc1)C2 72407055 AAOHRVDKIOLKFF-UHFFFAOYSA-N 345.468 2.898 0 50 EFAA Cc1ccccc1CNC(=O)CN1CCC[C@H]1c1nc(C(C)C)no1 77555471 NHPWFMCVFLIGLS-INIZCTEOSA-N 342.443 2.955 0 50 EFAA CC(C)CN1C(=O)CC[C@H]2CN(Cc3cccc4nonc34)CC[C@H]21 72475172 OJBPPVTYCDYRNS-WMLDXEAASA-N 342.443 2.692 0 50 EFAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)NCC1CCOCC1 222299636 WRYLYRHLABIDOI-OAHLLOKOSA-N 331.334 2.849 0 50 EFAA O=C(c1cccc(-c2ccc(CCO)cc2)c1)N1CCCC[C@@H]1CO 426647026 HWYSIEBNAOUGON-HXUWFJFHSA-N 339.435 2.875 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)c2c(C)nc3ccc(Cl)cn23)n[nH]1 426373562 BZENBDQBZVKIPH-GFCCVEGCSA-N 344.806 2.700 0 50 EFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cc1noc2ccccc12 222844684 VLLOUDSQARBXNH-CRAIPNDOSA-N 344.411 2.627 0 50 EFAA O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CCCO2 426584144 WFSJYUMHVAPPAH-UHFFFAOYSA-N 336.435 2.800 0 50 EFAA Cc1nc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cs1 220575210 FISALXVPAFFEAG-MQBCKMQZSA-N 344.436 2.628 0 50 EFAA CC[C@H](NC(=O)N(CCOC)Cc1cnn(C)c1)c1ccc(F)cc1 426435476 ZCRVYFVHESSTDO-KRWDZBQOSA-N 348.422 2.869 0 50 EFAA CC(F)(F)c1ccc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 293643103 USJHQQOENRSHQX-ZDUSSCGKSA-N 334.370 2.942 0 50 EFAA O=C(Nc1cccc(SC(F)(F)F)c1)N1CCOC[C@@H](O)C1 95510756 SGOYDUWLOKAPNX-JTQLQIEISA-N 336.335 2.524 0 50 EFAA CO[C@@H](C)c1nc(C2CCOCC2)nn1Cc1ccc2c(c1)OCO2 97772736 MRADQLFCSWXCGS-LBPRGKRZSA-N 345.399 2.657 0 50 EFAA CCN1CCC(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 95372439 CLPBQAFUCFQDQC-OAHLLOKOSA-N 329.366 2.923 0 50 EFAA CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C1CCSCC1 95530396 YGNGFGXWUOYASC-OAHLLOKOSA-N 334.441 2.534 0 50 EFAA CC(C)N1CCC(CC(=O)NCCc2noc(C3CCCC3)n2)CC1 95500888 WAKVTXXTEUVYQK-UHFFFAOYSA-N 348.491 2.896 0 50 EFAA CCN(CC)C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91793302 JOCCSTWLOYVZED-DOTOQJQBSA-N 329.444 2.685 0 50 EFAA Cc1cccn2c(CC(=O)NC[C@@H]3CCOc4ccccc4C3)cnc12 95370180 BIMIKZPXYLGBKO-MRXNPFEDSA-N 349.434 2.943 0 50 EFAA CC(C)C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1ncnn1C 91877060 MCRKQHXEKAGRTC-MRXNPFEDSA-N 338.415 2.722 0 50 EFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCO[C@@H](c2ccccc2)C1 95376321 RDOXMBGXWSWUGD-GOSISDBHSA-N 346.390 2.752 0 50 EFAA CCN(CCS(=O)(=O)c1ccc(C)cc1)Cc1cncn1CC 244673748 HUUXWXQIPRHPDR-UHFFFAOYSA-N 335.473 2.507 0 50 EFAA CN(C)c1nc(O)cc([C@H]2C[C@@H](Nc3cnc4ccccc4n3)C2)n1 253534996 BNNKNWYVSQDFDE-TXEJJXNPSA-N 336.399 2.550 0 50 EFAA CC[C@H](C)[C@H](CO)NC(=O)[C@H]([C@H](C)CC)N1Cc2ccccc2C1=O 252587250 WRCHTUFSIMGECA-DACLVMHWSA-N 346.471 2.580 0 50 EFAA biogenic COC1(C(=O)NC2CCN(Cc3ccccn3)CC2)CCCCC1 185038199 KLIOCTGQHJQNPI-UHFFFAOYSA-N 331.460 2.512 0 50 EFAA Cc1ccc([C@]2(C(=O)N(C)CC3(CO)CCOCC3)CC2(C)C)cc1 299792740 GTUCBIPETAXHDU-NRFANRHFSA-N 345.483 2.910 0 50 EFAA COC(=O)N[C@H](C)c1nc(Cc2cccs2)nn1CC(F)(F)F 824156197 VYGHOFDBZANANV-MRVPVSSYSA-N 348.350 2.910 0 50 EFAA CC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccc(O)cc1 584896184 ALXCJQUMBPACKP-SFHVURJKSA-N 340.427 2.770 0 50 EFAA CCc1nc([C@H](C)NCC[C@@H](C(F)F)N2CCOCC2)cs1 1875275649 OTUWFWQILMVKCD-AAEUAGOBSA-N 333.448 2.712 0 50 EFAA C[C@H](NC(=O)[C@@]12CCC[C@H]1CC(=O)CC2)c1ccc(N(C)C)nc1 1875330556 SNFSCTBZLKGXHF-ZUEVXXBESA-N 329.444 2.864 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C(C)C)C2(CO)CCC2)cc1 1875373937 VDHFKYREQIVMSH-SFHVURJKSA-N 344.455 2.752 0 50 EFAA COc1cccc2cc(CN[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)oc12 1875399738 IIYPTIJHGQHKSX-KBRIMQKVSA-N 341.411 2.567 0 50 EFAA O[C@H](CF)c1ccc(-c2noc([C@@H]3CCCc4cncn43)n2)cc1 1875320990 PXYUMILMUFWQMZ-LSDHHAIUSA-N 328.347 2.862 0 50 EFAA C[C@H](NC(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)C1CCC(F)(F)CC1 952961732 SRFARQFYKAFOCG-FPMFFAJLSA-N 343.418 2.653 0 50 EFAA CCC(=O)Nc1ccc(C)c(NC(=O)c2ccn(CC)c(=O)c2)c1 952974756 JWFFRBWKTNSWMQ-UHFFFAOYSA-N 327.384 2.777 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2ccc(C)c(F)c2)CC[C@@H]1C(F)(F)F 886043509 VGAILDIMZIADCJ-TZMCWYRMSA-N 346.324 2.806 0 50 EFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)CC(C)(C)c1ccc(F)cc1 886732197 XYFDXUFBBWAQAX-INIZCTEOSA-N 334.435 2.914 0 50 EFAA Cc1n[nH]cc1C(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1 887614899 LEQPWDFBSCYEBX-UHFFFAOYSA-N 338.455 2.945 0 50 EFAA Cc1cnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1C 270710425 OHOBPHKYSWTHBF-UHFFFAOYSA-N 330.819 2.709 0 50 EFAA CC(C)[C@@]1(C(=O)O)C[C@@H]1C(=O)NCCc1ccc2ncccc2c1 899835937 QRNICRIBSTUBLS-BEFAXECRSA-N 326.396 2.640 0 50 EFAA O=S(=O)(NCC1(Cc2ccccc2)CC1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1775999127 QHWRDACFEFUSJU-QDMKHBRRSA-N 341.423 2.972 0 50 EFAA CCC1(c2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)CC1 1775999813 WOERGRNDGWLMLP-UHFFFAOYSA-N 327.384 2.651 0 50 EFAA C[C@@H](O)C[C@@H](C)NCc1cc(I)cs1 1775989871 CDDADLIFAWDPQA-HTQZYQBOSA-N 325.215 2.602 0 50 EFAA FC(F)(F)c1cc([C@H]2CCCN(C[C@H]3C[C@H]4CC[C@H]3N4)C2)[nH]n1 1775985677 PZYYEINUUHEOGK-UMSGYPCISA-N 328.382 2.748 0 50 EFAA CC[C@H](NC(=O)c1nc(C(C)C)ncc1Cl)[C@@H](O)C(F)(F)F 270944507 YEHXUMRETHRSLU-WCBMZHEXSA-N 339.745 2.685 0 50 EFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1c(F)cccc1F 1565515934 SUGSWWHTELJSIK-OCCSQVGLSA-N 348.393 2.828 0 50 EFAA COCCn1nc(C)c(NC(=O)N2CC=C(C(F)(F)F)CC2)c1C 271381685 LLJHFFVANYBHAG-UHFFFAOYSA-N 346.353 2.873 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)o1 185977777 CHZMXYXZRSSBLE-HNNXBMFYSA-N 349.770 2.933 0 50 EFAA Cc1noc(C)c1C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 275495163 ZXKKYEXGJHOZDH-CQSZACIVSA-N 348.403 2.696 0 50 EFAA O=C(O)c1cccc(CNC(=O)c2c(F)c(F)cc(F)c2F)c1 170045157 BSMMGSUYOVRISB-UHFFFAOYSA-N 327.233 2.871 0 50 EFAA CC[C@H](C)[C@H](NC(=O)c1csc(-c2ccccn2)n1)C(=O)OC 171476162 ZWKPIQUJEBBRFG-GWCFXTLKSA-N 333.413 2.523 0 50 EFAA CCC[C@H](NC(=O)c1ccc[nH]1)C(=O)N1CCc2sccc2C1 171426233 OQZIBCGQYWROMC-AWEZNQCLSA-N 331.441 2.560 0 50 EFAA O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ncnc3[nH]ncc23)C1 301767276 BWEUKOBPYCNLTP-DGCLKSJQSA-N 349.316 2.684 0 50 EFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C(F)(F)F)cn3)[C@@H]2C1 407994081 ZYAYZRQOXHIYDM-BNOWGMLFSA-N 344.333 2.509 0 50 EFAA CN(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccn2)n1 408512888 GVPWOBIKIFINTK-GDBMZVCRSA-N 344.484 2.737 0 50 EFAA Cc1cc(=O)n2nc(CN3Cc4ccccc4C(F)(F)C3)sc2n1 676708315 NKLDXDGOLCYOKU-UHFFFAOYSA-N 348.378 2.567 0 50 EFAA Cc1ccc(NC(=O)C(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1 225394922 IXWDXHJBFUFCSF-UHFFFAOYSA-N 335.367 2.666 0 50 EFAA O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2cc(Cl)ncn2)CC1 225419890 CLKRSMPZGIZCNE-GJZGRUSLSA-N 342.830 2.582 0 50 EFAA COc1ccc(-c2nnc(N3CCC[C@@H](N4CCCC4)C3)o2)cc1 641298063 JOOJWTAINYIUNG-OAHLLOKOSA-N 328.416 2.810 0 50 EFAA CCn1cc([C@@H]2CN(Cc3nc(C(F)(F)F)cs3)CCO2)cn1 190831553 HJONZMUZVNLPMI-NSHDSACASA-N 346.378 2.952 0 50 EFAA Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)C(=O)N(C)C)s1 190872664 VAHGZCZXRKMLBS-NSHDSACASA-N 332.429 2.717 0 50 EFAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Cl)cc2F)cn1 192990724 OMGKQVOKDWGHSR-UHFFFAOYSA-N 325.727 2.748 0 50 EFAA C[C@H]1CCCc2ncc(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)n21 649977115 YFDIDPMDZJGHJY-STQMWFEESA-N 343.431 2.660 0 50 EFAA CCOc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1OCC 662059797 JNUDAYAURRICOR-KRWDZBQOSA-N 346.471 2.928 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)Cc2ccc(O)cc2)C[C@@H]1O 212132683 HGNVKWJMZNDPDQ-HOTGVXAUSA-N 331.437 2.682 0 50 EFAA Cc1cc2cc(C(=O)N(CCN(C)C)Cc3[nH]cnc3C)ccc2o1 1704325972 PZDOOHVRERAVHI-UHFFFAOYSA-N 340.427 2.977 0 50 EFAA Cc1cccc(F)c1C(=O)N1CCCN(c2noc(C3CC3)n2)CC1 1772815722 YZJULGKWGAIEOR-UHFFFAOYSA-N 344.390 2.747 0 50 EFAA Cc1ccc(OCC(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772804676 CNGJBWVIWNWJHG-UHFFFAOYSA-N 326.396 2.881 0 50 EFAA O=C1NCCc2ccc(-n3ccnc3-c3ccccc3C(=O)O)cc21 1772819044 OHFNFGKKGFRGGP-UHFFFAOYSA-N 333.347 2.523 0 50 EFAA Cc1ccc(Oc2ncccc2CNC(=O)CCc2cnccn2)cn1 12300588 SBZWUSUIHKQBMH-UHFFFAOYSA-N 349.394 2.616 0 50 EFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1CCCCC1)C2 14538140 CYQHZTVKYPYMNA-INIZCTEOSA-N 344.503 2.683 0 50 EFAA CCCCc1nc(-c2nccn2C[C@H]2CC(=O)N(C)C2)c(Cl)[nH]1 1857697912 BANJRWMIKXCLSB-NSHDSACASA-N 335.839 2.748 0 50 EFAA O=C1C[C@H]([C@H]2CCCCN2Cc2ccc(Br)o2)CN1 225395252 WOSGHHRHMRKHCL-CMPLNLGQSA-N 327.222 2.533 0 50 EFAA CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)[nH]1 225415030 XUMAQQTWWPIAFW-VHSXEESVSA-N 328.376 2.792 0 50 EFAA CC(C)n1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1 328588379 OMGMIYRQHHQPKW-OCCSQVGLSA-N 334.445 3.519 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 124243373 YJVQEEDPTBUWSN-RKDXNWHRSA-N 338.335 2.539 0 50 EFAA Cc1ccc(NC(=O)COc2ccc(-c3ncnn3C)cc2)cc1F 252499587 SBUDRHNCELTYJH-UHFFFAOYSA-N 340.358 2.947 0 50 EFAA O=C(Nc1ccc(OCCCO)cc1)c1cc(-c2ccco2)on1 253418174 LRUGWOUUYRWFMA-UHFFFAOYSA-N 328.324 2.948 0 50 EFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@]2(O)CCCC[C@H]2C1 151387930 YCYBMOBWYKZMNU-HNAYVOBHSA-N 347.459 2.813 0 50 EFAA CC(C)C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C(=O)O 156181800 TYEBNJGCDBETBM-MRXNPFEDSA-N 341.411 2.979 0 50 EFAA O[C@@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC12CC2 375306502 MQQZJZHJMHBLCM-CYBMUJFWSA-N 330.388 2.558 0 50 EFAA NC(=O)c1cccc(CN2CCC[C@@H](CN3CCCCCC3)C2)c1 264061541 WGVFAJSGIHDNMB-SFHVURJKSA-N 329.488 2.874 0 50 EFAA C[C@@H](NC(=O)Nc1nc2c(s1)CCCCC2)c1nnc2n1CCC2 264506779 GYCHHPGAZSJPHF-SNVBAGLBSA-N 346.460 2.832 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3nc[nH]n23)c(Cl)c1 1653105940 HHKIMUTZWHSBSK-MRVPVSSYSA-N 336.808 2.534 0 50 EFAA CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1occ2c1CCC2 900750927 JXXLXYKJKTYQHQ-GDBMZVCRSA-N 329.400 2.635 0 50 EFAA O[C@@]1(c2ccc(Cl)cc2)CCCN(Cc2noc3c2COCC3)C1 930849420 OABKBYHTBVNWJA-SFHVURJKSA-N 348.830 2.884 0 50 EFAA COc1cc(CN2CCC[C@H]2c2ncc(Br)cn2)on1 932265887 VIALNFTUEDEJSQ-NSHDSACASA-N 339.193 2.573 0 50 EFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)c1 11693043 DXCLEMIXIVNYKA-UHFFFAOYSA-N 335.367 2.613 0 50 EFAA CC(C)[C@H](NC(=O)CC1(CC(=O)O)CC1)c1ccc2c(c1)OCCO2 2325770595 HVDBGBVCGPYGSU-SFHVURJKSA-N 347.411 2.916 0 50 EFAA C[C@@H]1CCN(C(=O)c2occc2Br)C[C@H]1CC(=O)O 2325812910 QUIVBZPCZWEALQ-RKDXNWHRSA-N 330.178 2.615 0 50 EFAA Cc1cnc2n1CCN(C(=O)c1ccc(-c3ccc(CN)cc3)cc1)C2 2325858518 QJKNNYGQTHPUCZ-UHFFFAOYSA-N 346.434 2.973 0 50 EFAA Cc1ncc2n1C[C@@H](C(=O)N(C)Cc1cc(-c3ccccc3)n[nH]1)CC2 890457125 QXZNXEJQFRACJT-INIZCTEOSA-N 349.438 2.803 0 50 EFAA O=c1ccn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]1 135151 QKCBCEPGAIGAAA-UHFFFAOYSA-N 331.331 2.848 0 50 EFAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)cc1 323624 KGGQQAQHEMCAKI-HNNXBMFYSA-N 347.436 2.907 0 50 EFAA Cc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 468305 LATPLRUTVGWGFF-UHFFFAOYSA-N 328.387 2.862 0 50 EFAA COc1cc(NC(=S)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1 611929 MQYPBXZYHMZJPI-JTQLQIEISA-N 334.445 2.793 0 50 EFAA CCCOc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 1797074 WKCYTCWQSHPQOE-GFCCVEGCSA-N 345.424 2.924 0 50 EFAA Cc1sc2ccc3ccsc3c2[n+]1CCCS(=O)(=O)O 1922735 NMNSYBPESKYEMC-UHFFFAOYSA-O 328.460 2.990 0 50 EFAA CC1(C)CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1 2405085 DHFRXSHKNFIRCL-UHFFFAOYSA-N 336.439 2.958 0 50 EFAA COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1OC 2883492 DKKJDWMWGSSIRE-UHFFFAOYSA-N 331.393 2.898 0 50 EFAA Cc1ccc(CN(CCO)C(=O)c2ccc(O)nc2C(C)C)s1 2356165586 KLDWZBCHOZYAEN-UHFFFAOYSA-N 334.441 2.915 0 50 EFAA CCOc1c(Br)cc(CNc2ncn[nH]2)cc1OC 4278345 VSNAMNLZLTYXEV-UHFFFAOYSA-N 327.182 2.587 0 50 EFAA NC(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 4731629 ORIZRFFHCHTXKB-UHFFFAOYSA-N 336.391 2.648 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 6743355 KBXQRFFCISNJKC-ZDUSSCGKSA-N 342.436 2.606 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(N2CCCCC2)cc1 344809093 DLJGKOGIZDZRKW-ZWKOTPCHSA-N 332.444 2.553 0 50 EFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc2ccccc12 9225506 XTSQBPYKRQYRGP-KSZLIROESA-N 337.423 2.568 0 50 EFAA O=C(c1cccs1)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 9486387 DRKYNYKLXLDUQK-UHFFFAOYSA-N 339.420 2.828 0 50 EFAA Cc1c(NCc2cccnc2)cccc1C(=O)N[C@H](C)c1ncn[nH]1 55073182 TVLMOPBXQDCAIT-CYBMUJFWSA-N 336.399 2.611 0 50 EFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)COc1ccc(C)c(C)c1 55414020 HKYDFURPIKLSEN-SFHVURJKSA-N 342.439 2.877 0 50 EFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)n1nc(C)cc1C 248160749 LAGJCXGZDHJAEY-RCCFBDPRSA-N 332.492 2.926 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)c2cnc3ccccn23)s1 55413342 RRBTWNPPYMRJJM-UHFFFAOYSA-N 342.468 2.908 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 136136325 SJCQLUZQZIRQCD-JTQLQIEISA-N 334.759 2.932 0 50 EFAA CCCc1nc(C)cc(N2CCN(Cc3nccn3C(C)C)CC2)n1 65419365 IFKIHNOANHFNOO-UHFFFAOYSA-N 342.491 2.837 0 50 EFAA CCN(C)[C@@H](C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccccc1 229561988 PWYZBTHLTFYYMG-QZTJIDSGSA-N 326.444 2.740 0 50 EFAA CCC(=O)c1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)cc1 20653080 UICDOCVLHLVQHL-HZPDHXFCSA-N 335.444 2.784 0 50 EFAA CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)[nH]c2C1 61720959 RWKPODVRLOPEEU-UHFFFAOYSA-N 328.343 2.921 0 50 EFAA C[C@H](NC(=O)CCc1[nH]nc2c1CCCC2)c1cn2ccsc2n1 67817156 PJUIOXSRZLIRGG-NSHDSACASA-N 343.456 2.808 0 50 EFAA C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328633327 SLYSYZUUCGXKDD-HYJFEMIMSA-N 345.487 2.881 0 50 EFAA CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C 753 CXBMCYHAMVGWJQ-CABCVRRESA-N 331.412 2.965 0 50 EFAA biogenic,in-man CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 253419900 LOOCGQFYNQWSPS-OLZOCXBDSA-N 349.374 2.502 0 50 EFAA CN1CCC[C@@H](CNC(=O)CCc2cnn(C)c2)[C@@H]1c1cccs1 253419155 KAURBZDLHIRLQL-MAUKXSAKSA-N 346.500 2.614 0 50 EFAA COc1ccc(Cc2noc(-c3ccc(N[C@H](C)CO)nc3)n2)cc1 39430558 OYTUMWSOHMJPAP-GFCCVEGCSA-N 340.383 2.524 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1 5598756 WWYAZDIAFFHOCY-UHFFFAOYSA-N 343.202 2.654 0 50 EFAA CN1CC2(CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)CC1=O 72468309 WZBCDEJSQQNIHQ-UHFFFAOYSA-N 349.434 2.833 0 50 EFAA C/C=C/CN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77298784 XWNTYTUGSDKLSV-RTLBZRNLSA-N 328.460 2.566 0 50 EFAA C[C@@H](NS(=O)(=O)C1COC1)c1cc(F)c(Cl)cc1Cl 330236620 ZICSSXDLBMNBIH-ZCFIWIBFSA-N 328.192 2.512 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)CC1 73202091 CGMDZRLWGKHLAT-INIZCTEOSA-N 331.504 2.920 0 50 EFAA C[C@@H]1CCc2n[nH]c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)c2C1 77459375 XOOPJSZOHBPVRY-CQSZACIVSA-N 349.438 2.992 0 50 EFAA CCc1cc(NCC2(N3CCOCC3)CCCCC2)n2nccc2n1 72433422 GCRFLYJYQBOJKU-UHFFFAOYSA-N 343.475 2.739 0 50 EFAA Clc1cccnc1N1CCN(Cc2nc(-c3ccoc3)no2)CC1 155938575 CMJGYFGJCXTWES-UHFFFAOYSA-N 345.790 2.700 0 50 EFAA COCc1nc(C)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)s1 128557397 JCSFMVGEJKURNG-HNNXBMFYSA-N 345.468 2.727 0 50 EFAA CCn1c(C)nnc1CN1C[C@@H](COc2ccccc2)OC(C)(C)C1 284630644 UTBUXXRRHPZXFY-KRWDZBQOSA-N 344.459 2.665 0 50 EFAA Brc1ccc([C@@H]2CN(C[C@H]3CCCNC3)CCO2)cc1 261638780 ACQASYHUGIZQDE-BBRMVZONSA-N 339.277 2.822 0 50 EFAA CO[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1 378631365 JCESZOUOMYHTLV-CQSZACIVSA-N 331.416 2.846 0 50 EFAA COC[C@@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)CC(C)(C)O1 284913285 CCHRCOHGTOPTNJ-HNNXBMFYSA-N 344.411 2.916 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 174540995 IQAVSYCHXRZWHR-AWEZNQCLSA-N 332.492 2.929 0 50 EFAA COC(=O)c1n[nH]cc1CN1CCCC[C@@H]1CCc1ccc(O)cc1 72130968 MNRBCWLDNXOIMJ-MRXNPFEDSA-N 343.427 2.889 0 50 EFAA COc1ccc([C@H](NC(=O)c2ccc(C)cc2C)C(=O)O)c(OC)c1 455939238 WFXSQCAJBRTXJF-KRWDZBQOSA-N 343.379 2.876 0 50 EFAA Cc1cc(=O)cc(C(=O)NCc2nc3ccccc3n2C(C)C)o1 215890744 PCOQZXKLLHFYCR-UHFFFAOYSA-N 325.368 2.809 0 50 EFAA Cc1cc(C)cc(N2CCN(C(=O)CSCC3CC3)CC2=O)c1 77394330 BRVBRSTYURPBBW-UHFFFAOYSA-N 332.469 2.622 0 50 EFAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC(c2ncc[nH]2)CC1 215022236 GNCRQOVWXIPFMV-SFHVURJKSA-N 338.455 2.897 0 50 EFAA CSc1nccc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 77320798 VJZIYFPJRHZQIZ-KRWDZBQOSA-N 334.489 2.816 0 50 EFAA O=C(Cn1cnc(-c2ccccc2)n1)NC[C@@H]1CCOc2ccccc21 133333925 ABADADYNMLVOFD-INIZCTEOSA-N 348.406 2.628 0 50 EFAA Cc1sc(CCNC(=O)c2ccnn2C)nc1-c1ccccc1 175754548 ICLIQAWNKBYHPE-UHFFFAOYSA-N 326.425 2.825 0 50 EFAA COc1ccc2[nH]c(C(=O)N3CCO[C@H](c4cccnc4)C3)cc2c1 223880766 IHNAVWXRYHEHBP-SFHVURJKSA-N 337.379 2.785 0 50 EFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccncc1O 223072045 LCFDEMFNBXEGCZ-UHFFFAOYSA-N 330.775 2.632 0 50 EFAA COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)o1 82134250 WXAWJZKSXSLVGS-UHFFFAOYSA-N 334.803 2.900 0 50 EFAA CC(C)CN1CCN(C(=O)NCc2cc3ccccc3[nH]2)[C@H](C)C1=O 426479145 UWZWPKJWDLZZMN-CQSZACIVSA-N 342.443 2.566 0 50 EFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1oc2cc(OC)ccc2c1C 222910871 GFZBDOMTHPQQQU-MMNPAVHPSA-N 345.395 2.530 0 50 EFAA COCCOc1ccc(NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)c(C)c1 178407445 JZGMCYQAGJSTSX-MQVJKMGUSA-N 332.444 2.879 0 50 EFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3nccc(OC)n3)cc2)C1 426485497 ADYYIIILSQEJFO-CQSZACIVSA-N 341.411 2.651 0 50 EFAA O=C(NC[C@@H]1CNCCO1)c1cccc(-c2cc(Cl)ccc2F)c1 426635777 ZYZBUZYRZFUMRC-HNNXBMFYSA-N 348.805 2.864 0 50 EFAA O=C(O)c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 95522187 HYVSAEOJWWHADE-UHFFFAOYSA-N 329.375 2.631 0 50 EFAA Cc1cc([C@H]2CCCN2C(=O)c2cnc(-c3ccncc3)nc2)on1 95392339 MDVZVLXTCJOICG-OAHLLOKOSA-N 335.367 2.812 0 50 EFAA CN(Cc1ccccc1F)Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 252572178 YWVAWPQXZFSSCT-HDJSIYSDSA-N 329.423 2.589 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(F)c3F)[C@H]2C1 299755165 AWGKTYYWXVHXSK-HYSWKAIVSA-N 325.355 2.763 0 50 EFAA Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nc(-c2cccnc2)no1 299761651 MNXSFARNZFPUSG-NSHDSACASA-N 341.371 2.546 0 50 EFAA Cc1ccc(CS(=O)(=O)NCCCn2ccnc2C(C)C)cc1 670444604 XIOSQJHBMFTKNQ-UHFFFAOYSA-N 335.473 2.825 0 50 EFAA Cc1cc(C)c(CN2CC[C@H](CNC(=O)c3cncnc3)C2)cc1C 67472667 LIMJYKDXSKDFAB-QGZVFWFLSA-N 338.455 2.654 0 50 EFAA O=S1(=O)Cc2c(Cl)cccc2N1CC1([C@@H]2CCCO2)CC1 1875396433 HKSHVYFORBMCGJ-AWEZNQCLSA-N 327.833 2.949 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)S(=O)(=O)Cc1ccccc1F 952862238 NIVYQTLTVUSCGU-UHFFFAOYSA-N 339.436 2.560 0 50 EFAA COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCCCN3C)c2c1 952869215 GJLKDVYBFIADEE-GOSISDBHSA-N 329.444 2.710 0 50 EFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)NCc1ccccc1 55060376 UADHEJVCPNHYJQ-UHFFFAOYSA-N 343.858 2.778 0 50 EFAA CCc1cccc(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(=O)O)C2)c1 888077023 DMQOIBOLIIXYHU-MSOLQXFVSA-N 327.428 2.591 0 50 EFAA CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1 271192185 ACYRIVBQKUKLAO-GRDNDAEWSA-N 347.459 2.582 0 50 EFAA Cc1cc(C(F)F)n2ncc(C(=O)N[C@@H](C)Cc3ccco3)c2n1 1336750502 FTWHQKRARXZWCV-VIFPVBQESA-N 334.326 2.929 0 50 EFAA CN(C[C@H]1CCCN1C)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 1362573982 LLUDTNPXCMXDDF-ACJLOTCBSA-N 349.862 2.776 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1cccnc1OCC(F)(F)F 277248511 POVJAPQKBWSPGI-OLZOCXBDSA-N 346.349 2.844 0 50 EFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 169988480 NZISYIDLYGDPIN-IINVVDAPSA-N 330.428 2.539 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3nc(-c4ccncc4)no3)cc2c1 170604572 BUVPXCLMJAIJMB-UHFFFAOYSA-N 349.350 2.552 0 50 EFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc3c(c2)CCC[C@H]3O)c1 170617704 KJBHBWGBQXRCKC-OAHLLOKOSA-N 335.429 2.635 0 50 EFAA CC(C)Oc1ccc(CCNC(=O)[C@@H](CN)c2ccccc2)cc1 170677403 FACJWMZRZHCMRA-IBGZPJMESA-N 326.440 2.875 0 50 EFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(n1)CCCC2 280060442 KHZWLNARNVGCFP-SFHVURJKSA-N 335.407 2.624 0 50 EFAA COc1ccnc(NCc2ccc(NC(=O)c3cccnc3)cc2)n1 301102377 HVFRAKYNDSJAHR-UHFFFAOYSA-N 335.367 2.745 0 50 EFAA Cc1cnn(-c2ccc(NC(=O)N[C@H](C)c3cnn(C)c3)cc2F)c1 408513008 AQFNPAHBOACCAW-GFCCVEGCSA-N 342.378 2.936 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C3CC3)c12 189729416 AIUZXBHUJXJYRU-MRXNPFEDSA-N 328.412 2.747 0 50 EFAA COC(=O)c1scnc1CN1CCC(Oc2cccc(C)n2)CC1 225585279 YIKVATLPRNLELC-UHFFFAOYSA-N 347.440 2.677 0 50 EFAA Cc1ccccc1CCNC(=O)Cn1ccc(-c2nccs2)n1 225501393 ZRCUQALEDYFUGD-UHFFFAOYSA-N 326.425 2.674 0 50 EFAA Cc1ccn(CC(=O)Nc2ccc(OCc3cccnc3)cc2)c(=O)c1 225561473 HCDKBXOZZXHSMN-UHFFFAOYSA-N 349.390 2.769 0 50 EFAA Cc1ccc(-n2cccn2)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 190474388 PNIJYAVTVYGJMZ-GOSISDBHSA-N 347.374 2.901 0 50 EFAA Brc1ccc(CN2CCC(Cn3ccnn3)CC2)o1 191094555 LRJDVQVXIOZSFS-UHFFFAOYSA-N 325.210 2.546 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 191203682 AYJQQCMGQDMUJJ-SNVBAGLBSA-N 330.306 2.817 0 50 EFAA CC(C)(C)c1ccc(N2CCC(NC(=O)N3CC(CO)C3)CC2)cc1 191536225 UNUKNAIBVKLEPE-UHFFFAOYSA-N 345.487 2.587 0 50 EFAA O=C(O)C1(C(=O)Nc2cc(C3CCOCC3)[nH]n2)CCCCCC1 663092833 RUPKQMAVQJBFKX-UHFFFAOYSA-N 335.404 2.667 0 50 EFAA CSc1c(F)cc(N2C(=O)N[C@@H](Cc3ccncc3)C2=O)cc1F 772092273 QQEJOEHZQJQVNR-ZDUSSCGKSA-N 349.362 2.749 0 50 EFAA CCc1nccn1C[C@H](C)NCc1ccc(N2CCCC2=O)cc1 1506428511 XMBFGPZJTUCREG-HNNXBMFYSA-N 326.444 2.751 0 50 EFAA c1cnc(-c2nc(CCNC3CSCCSC3)cs2)nc1 1506425684 FXNIPGUZSNVORK-UHFFFAOYSA-N 338.527 2.581 0 50 EFAA c1cncc([C@@H]2c3[nH]cnc3CCN2Cc2nc(-c3ccco3)no2)c1 1529172077 HBURJFSIUPSJJR-QGZVFWFLSA-N 348.366 2.595 0 50 EFAA c1cncc([C@@H]2c3[nH]cnc3CCN2Cc2cn3ccccc3n2)c1 1529199185 XXFZJRBLTMSJDJ-LJQANCHMSA-N 330.395 2.600 0 50 EFAA COc1ccc(F)cc1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529126339 CVIFGKNIKGGARI-RTBURBONSA-N 331.387 2.769 0 50 EFAA COc1ccc([C@H](C(=O)O)N2CCC3(CCOCC3)CC2)cc1OC 1529151845 NMSBMJYCKIDVEB-QGZVFWFLSA-N 349.427 2.722 0 50 EFAA COc1cc(F)ccc1CN1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704356620 HUUNGHKOVJGIQK-KDOFPFPSSA-N 334.391 2.820 0 50 EFAA CCc1cc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)ccn1 212694810 UBPTUBIRAHNAMO-MSOLQXFVSA-N 338.407 2.893 0 50 EFAA COc1cc2[nH]c(-c3cc(C)c(O)cc3F)nc(=N)c2cc1OC 1772707056 YYLYVYVWPCBDCU-UHFFFAOYSA-N 329.331 2.880 0 50 EFAA CC(C)n1cncc1-c1nccn1-c1ccc2c(c1)ncn2CCO 1775983872 UIKXGUFLRXWLKG-UHFFFAOYSA-N 336.399 2.659 0 50 EFAA Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)c1 5002353 YBYFJKJNROHJKQ-INIZCTEOSA-N 325.412 2.506 0 50 EFAA O=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@@H](CCCO)C1 12303637 VYOWPYSGTZZHRT-HNNXBMFYSA-N 334.464 2.798 0 50 EFAA COc1ccc(OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 15746067 UEXCPFTTYNJCTA-MRXNPFEDSA-N 341.431 2.531 0 50 EFAA Cc1sc2ncc(C(=O)N[C@H](C)c3ccccc3)c(=O)n2c1C 16649945 PWEMTCDFUJEKTK-SNVBAGLBSA-N 327.409 2.864 0 50 EFAA CCn1nccc1-c1nc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)no1 169755785 TYMRVRNSRPGLFU-CYBMUJFWSA-N 337.383 2.782 0 50 EFAA O=C(c1cc2c(nc1O)CCCC2)N1CCC(C2CCNCC2)CC1 1857671080 MKQQXTAGYIJIKL-UHFFFAOYSA-N 343.471 2.518 0 50 EFAA Cc1ccc(C)c(NC(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857715368 OPCIWUPOYQNJTR-SOLBZPMBSA-N 329.444 2.677 0 50 EFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2nn(C)cc2C)C1 412113468 CWIJBFUXUIONNI-HNNXBMFYSA-N 330.407 2.575 0 50 EFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1C[C@@H]1C(F)F 225750842 KBJMRVOZLFEQDB-KBPBESRZSA-N 327.346 2.891 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 237468101 QLOCCCUICTWGMR-NWDGAFQWSA-N 330.350 2.670 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F 238067096 BTEUCACCHBACAM-LLVKDONJSA-N 331.290 2.593 0 50 EFAA C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](C(=O)O)C1 136147238 LRAYRONUENUDCF-GHMZBOCLSA-N 345.317 2.796 0 50 EFAA CCOc1nc(C)ccc1C(=O)N[C@@H]1CCN(c2ccccc2)C1 359619826 PJCKQCNZXSKUMT-OAHLLOKOSA-N 325.412 2.797 0 50 EFAA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCCc2ccccc2C1 159157722 SUCJSPFJVDFGEX-OAHLLOKOSA-N 340.427 2.900 0 50 EFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)cc2)N1 34792442 YCCPHMBIMIJBPW-ZWKOTPCHSA-N 336.391 2.953 0 50 EFAA biogenic,in-vitro O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccc2ccccc2c1 910617658 NINSDCDUTOOALT-OHTSDLOESA-N 339.391 2.982 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 818027503 XHQSPDIJBGICST-SECBINFHSA-N 342.378 2.546 0 50 EFAA O=S(=O)(NCc1cc(C(F)F)on1)[C@H]1C[C@H]1c1cccc(F)c1 921335321 GPSHLGCJTRTYBZ-AAEUAGOBSA-N 346.330 2.727 0 50 EFAA Cc1nc(CC2CCN(C(=O)Nc3ccn4ccnc4c3)CC2)no1 931223030 DZMJVJXGSKORGU-UHFFFAOYSA-N 340.387 2.512 0 50 EFAA Cn1cc([C@]2(C)CN(C(=O)c3cc(F)cc4ccoc34)CCO2)cn1 934744286 UGYXGWLOMQITPQ-SFHVURJKSA-N 343.358 2.693 0 50 EFAA Cc1ccccc1[C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)s1 935586626 VNCJVJNGRZHXLR-LBPRGKRZSA-N 337.466 2.880 0 50 EFAA O=C(c1ncccc1Br)N1CCCC[C@H]1c1cc[nH]n1 329270473 HDEYLFYYYNWKHW-LBPRGKRZSA-N 335.205 2.935 0 50 EFAA CCc1nccn1CCN=c1[nH]c2cccc(Br)c2o1 2325775498 ZFFJBRMPVYLWRG-UHFFFAOYSA-N 335.205 2.883 0 50 EFAA FC(F)(F)c1coc(CCN[C@@H]2C[C@@H]3C[C@H]2CC32OCCO2)c1 2325777962 SRNGEODPZWPGMI-COPLHBTASA-N 331.334 2.972 0 50 EFAA C[C@@H]1CCC[C@@H]1CC(=O)NCC[C@@](O)(c1ncco1)C(F)(F)F 2325784293 QPBXRIKKGPQSAW-JTNHKYCSSA-N 334.338 2.757 0 50 EFAA O=C(NCCCc1ncc[nH]1)c1n[nH]c2ccc(C(F)(F)F)cc12 2325805043 KZPZBRINLUDFGK-UHFFFAOYSA-N 337.305 2.667 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)c2noc3c2C[C@@H](C)CC3)C(=O)O)c1 2325865415 BEOXOGMYSYUXLD-QFYYESIMSA-N 342.395 2.972 0 50 EFAA CC1(C)Cc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c23)CO1 346269 BEMXHIDMDDPOIJ-UHFFFAOYSA-N 342.424 2.584 0 50 EFAA COc1cc(S(=O)(=O)Nc2cccnc2)c(OC)cc1Cl 384639 OTFKFIWLDAHEKF-UHFFFAOYSA-N 328.777 2.553 0 50 EFAA CCOc1cc(Br)ccc1S(=O)(=O)N1CCCC1 384668 FRWAEXVGXWWZQW-UHFFFAOYSA-N 334.235 2.632 0 50 EFAA COc1cc(S(=O)(=O)N2CCCCC2)ccc1Br 528791 HKCFXBSCOHNTHI-UHFFFAOYSA-N 334.235 2.632 0 50 EFAA CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1803073 PFQRURGRRBJRFH-ZIAGYGMSSA-N 327.446 2.663 0 50 EFAA CCOC(=O)C(=CNc1ccc(OC)c(Cl)c1)C(=O)OCC 2950128 WCFPGASMZCFZQT-UHFFFAOYSA-N 327.764 2.771 0 50 EFAA COc1ccccc1OCCNC(=O)/C=C/c1ccc2c(c1)OCO2 2990076 RNZQTROCVJBGDO-VQHVLOKHSA-N 341.363 2.632 0 50 EFAA Cc1cccc2nc(C(=O)Nc3cc(-c4ccccn4)nn3C)cn12 2356164925 LYAZZRSTAAZGJL-UHFFFAOYSA-N 332.367 2.691 0 50 EFAA Cc1[nH]c(C)c(I)c1I 6469557 LKGXMVHMLSGVJD-UHFFFAOYSA-N 346.937 2.841 0 50 EFAA COc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)c1 6816209 GCCKFTIKYGAARJ-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA COC(=O)c1cc(CN2CCN(c3ccccc3C)CC2)ccc1O 55498134 HIKIQENDTVMQPH-UHFFFAOYSA-N 340.423 2.809 0 50 EFAA Cc1nnc(SCC(=O)NCc2cc(-c3ccco3)on2)s1 55133954 JXVDJZNELNDGEC-UHFFFAOYSA-N 336.398 2.503 0 50 EFAA COc1ccc(C)cc1[C@H](O)CN1CCCC[C@H]1Cn1cccn1 247858837 YYDRUXJCMKRPLP-FUHWJXTLSA-N 329.444 2.788 0 50 EFAA Cc1ncsc1NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 352138812 AULRBZXENDSXCJ-UHFFFAOYSA-N 336.804 2.887 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)Nc1ccnn1Cc1cccc(Cl)c1 55154068 UXMYAFFMIAQXEL-HNNXBMFYSA-N 346.818 2.534 0 50 EFAA CC1CCN(c2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)CC1 20783938 JNPPABRUMFFPMW-UHFFFAOYSA-N 343.431 2.754 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)C1(O)CCCC1 67842801 UIJQAPRVBZGHDZ-UHFFFAOYSA-N 339.439 2.639 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H](c2ccsc2)O1 119484718 FUYXDLYAFKNDQE-COXVUDFISA-N 330.453 2.607 0 50 EFAA C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 119429814 URJKCNCFLJERQK-IUODEOHRSA-N 329.375 2.633 0 50 EFAA Cc1ccc2c(c1)N(Cc1nc(CCc3ccccc3)n[nH]1)C(=O)CO2 67757204 ZEMGOOBMYNCMFR-UHFFFAOYSA-N 348.406 2.824 0 50 EFAA c1cn(CCCn2ccnc2-c2cnc(N3CCCC3)s2)cn1 67679050 WGXGLOHAUSMYEE-UHFFFAOYSA-N 328.445 2.894 0 50 EFAA O=C(c1cc(C2CC2)n[nH]1)N(Cc1ccccn1)C[C@@H]1CCCO1 67692717 BHBJTAKJAOYNSF-HNNXBMFYSA-N 326.400 2.504 0 50 EFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)Cc1cccs1 328646956 SYKUPMWBLGNYFW-ZDUSSCGKSA-N 335.498 2.694 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCO2)o1 328610179 GUNLQXVBRBFLJC-OAHLLOKOSA-N 332.404 2.591 0 50 EFAA CCn1cc(C(=O)NC[C@H]2CCN(Cc3sccc3C)C2)cn1 67956204 OVBUGLWCNSRLSV-CQSZACIVSA-N 332.473 2.525 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@@H]1CC=CCC1 328655124 YAZGBSKMBCAWSJ-ILXRZTDVSA-N 337.464 2.870 0 50 EFAA Cc1ccc2oc(S[C@@H]3CCCN(c4ccn(C)n4)C3=O)nc2n1 253419392 RRAOLQKIYOWSSX-GFCCVEGCSA-N 343.412 2.552 0 50 EFAA CN(C)C[C@@H](NC(=O)N[C@H]1CCCOCC1)c1ccc(Cl)cc1 283746385 YJXJRALGBKXAHJ-JKSUJKDBSA-N 339.867 2.811 0 50 EFAA O=C(Nc1ccc(-n2nnnc2O)cc1)c1cccc(C2CCC2)c1 356998090 NENQECRLADLNJF-UHFFFAOYSA-N 335.367 2.888 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCN([C@H]3CCCc4ccccc43)C2)no1 257365951 CXZFSEBZVMXKHI-AEFFLSMTSA-N 326.444 2.962 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 152853679 HRWZKHYSIYEFPD-GDBMZVCRSA-N 340.423 2.738 0 50 EFAA O=C(CCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)NC1CCCC1 71759819 LWCKJDTWODQXSO-KRWDZBQOSA-N 348.418 2.565 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)nc1)c1ccn(C2CCCC2)n1 363816365 HIHOVKJKGDLVNZ-UHFFFAOYSA-N 336.399 2.509 0 50 EFAA Cc1ccc(CNC(=O)CN2CCC[C@@H]2c2cn(C)nc2C)cc1F 363917761 ABWMSVJJGCOERK-GOSISDBHSA-N 344.434 2.629 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 363978613 MNQIRGDIWHBAOV-OAHLLOKOSA-N 325.412 2.994 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)c2nccn21 333235093 OZHFSLICYDLQRH-LERXQTSPSA-N 330.363 2.851 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)c2c[nH]c(=O)c(Cl)c2)c(C)s1 77423678 XAPCBNZGPIWCPI-ZETCQYMHSA-N 325.821 2.935 0 50 EFAA Cc1cc(C)cc(N2CCN(C(=O)c3cccc(C)c3O)CC2=O)c1 72426581 SHMIFEVLPJUFCJ-UHFFFAOYSA-N 338.407 2.806 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](N)C2)C1 237546940 HACPUQFPJXTLIG-IIAWOOMASA-N 335.879 2.718 0 50 EFAA Cc1ccc(C)c(C(=O)N(Cc2cncnc2)[C@H]2CCCNCC2)c1 261766192 MCMQNOAIUPJKNB-SFHVURJKSA-N 338.455 2.878 0 50 EFAA N[C@H]1CC[C@@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 237866845 XOQGRUCXVATGNY-WBVHZDCISA-N 349.906 2.796 0 50 EFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cnn2ccccc12 343407739 RWDSVQRTBQLZEN-YJBOKZPZSA-N 325.416 2.732 0 50 EFAA COc1ccc(Oc2cccc(CN3CCC[C@@](O)(CO)C3)c2)cc1 72409463 WEWSCJIPFVJUDO-FQEVSTJZSA-N 343.423 2.807 0 50 EFAA O=C1CC[C@@]2(CCCN(c3ccccn3)C2)CN1Cc1cccnc1 72436367 FORZRXKWEACOMZ-HXUWFJFHSA-N 336.439 2.886 0 50 EFAA O=C(NCc1ccccc1COCc1ccccc1)[C@H]1C[C@H]1C(=O)O 262612636 LNBXJQFMZGAEKK-ZWKOTPCHSA-N 339.391 2.740 0 50 EFAA Oc1ccc([C@@H](O)CNc2nccc(CCC(F)(F)F)n2)cc1 71552293 VUTLQBMPAPLNHK-ZDUSSCGKSA-N 327.306 2.823 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)C1 240786109 IALUFTNFUNKSGC-UHOSZYNNSA-N 345.487 2.747 0 50 EFAA O=C(NCC1(c2ccc(F)cc2F)CC1)[C@H]1CCCC12OCCO2 241447066 NQVLXQZAEIUYDY-CQSZACIVSA-N 337.366 2.656 0 50 EFAA CCCCN1CCCC[C@H]1C(=O)NCc1nnc(C2CC2)n1C1CC1 242048089 VSRGYIOYTMRQTO-INIZCTEOSA-N 345.491 2.761 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(F)c1 242339222 ZGBGYNLMOBRSTN-MAZHCROVSA-N 334.391 2.570 0 50 EFAA CCCc1cc(NCc2noc([C@@H]3CCCO3)n2)n2nccc2n1 72470586 OSRJVRXFTSMIAA-LBPRGKRZSA-N 328.376 2.528 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)N1CCC(n2ccnc2)CC1 175137054 XBLZDBVDBGXJAT-UHFFFAOYSA-N 348.428 2.990 0 50 EFAA COc1ccc([C@@H](C)N(C)C(=O)c2ccc(CN(C)C)nc2)cc1 339237964 NRWKDFTZZKNEDZ-CQSZACIVSA-N 327.428 2.985 0 50 EFAA CC(C)[C@H]1CN(Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 71735832 LWYSKBMHUOOZTN-QGZVFWFLSA-N 332.492 2.933 0 50 EFAA O=C1CCCCN1CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 286245860 UVXBDBQPEZVWMU-KZNAEPCWSA-N 326.440 2.794 0 50 EFAA O=C(c1ncc[nH]1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82134679 XTMDQAJTSVRXKB-INIZCTEOSA-N 335.411 2.674 0 50 EFAA O=C(NC[C@H]1CNCCO1)c1cccc(-c2cc(Cl)ccc2F)c1 426635779 ZYZBUZYRZFUMRC-OAHLLOKOSA-N 348.805 2.864 0 50 EFAA Cc1nc(O)cc(C2CCN(C(=O)Nc3cnn(C(C)C)c3)CC2)n1 426403437 CDSQZMJZXLMQRB-UHFFFAOYSA-N 344.419 2.680 0 50 EFAA COc1cc2c(cc1CNC(=O)c1ccccc1C(C)=O)OCCO2 222565144 PJQXCKZYDRTJRY-UHFFFAOYSA-N 341.363 2.599 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)n(C)n1 82147512 PWSNUKFRGZQLAK-LBPRGKRZSA-N 330.436 2.741 0 50 EFAA Cc1nc(NCc2nc3c(s2)CCCC3)cc(C2CC(O)C2)n1 222939029 AFDROAJVBIORMK-UHFFFAOYSA-N 330.457 2.971 0 50 EFAA CCC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2OC)C[C@H]1N(C)C 82156126 YSQBVOVKDIXNQL-NVXWUHKLSA-N 334.460 2.644 0 50 EFAA Cc1ccc(O)c(-c2cccc(C(=O)NCCNC(=O)C(C)C)c2)c1 426538366 JZYBCEPQVHWLPI-UHFFFAOYSA-N 340.423 2.870 0 50 EFAA CCc1ccc([C@H](C)NC(=O)N2CCC3(CC2)CNC(=O)O3)cc1 426472673 GSNVNWXUJGPBTP-ZDUSSCGKSA-N 331.416 2.594 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1Cl 239438983 ZGULSVCHJUAVDG-XQLQCCRHSA-N 343.766 2.596 0 50 EFAA C/C(=C\c1ccccc1)CN1CCN(c2ncnc3c2cnn3C)CC1 179889311 IQVAKXWLSLPQEQ-FOWTUZBSSA-N 348.454 2.589 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3N)n[nH]2)s1 97087804 IZRHEDFGHUPBBM-YOEHRIQHSA-N 338.436 2.801 0 50 EFAA CCn1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95374212 IRPGIXLXKBVPPC-OAHLLOKOSA-N 327.384 2.621 0 50 EFAA O=C1[C@H](c2ccccc2)CC2(CCN(CCCO)CC2)CN1C1CC1 92065320 MVFRPSVVIITROM-IBGZPJMESA-N 342.483 2.630 0 50 EFAA CCCCn1ccnc1C1CCN(C(=O)c2cc(N)ccn2)CC1 95529164 QYZUCTZSRGVUTN-UHFFFAOYSA-N 327.432 2.680 0 50 EFAA OC1CCN(C2CCN(C[C@H]3CCOc4ccccc4C3)CC2)CC1 95525378 RTJUYZGOQQETCF-KRWDZBQOSA-N 344.499 2.549 0 50 EFAA O=C1C[C@@H](Nc2nccc(-c3ccccn3)n2)CN1Cc1ccccc1 96163148 QAFGAWXLIPSLRW-MRXNPFEDSA-N 345.406 2.752 0 50 EFAA Cc1nn(C)c2nc(NCc3nc(Cc4cccs4)no3)sc12 96163416 JMRUCHBGQHLOFQ-UHFFFAOYSA-N 346.441 2.986 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1COc2ccccc2C1)C1CC1 91950603 MRGGFKCKUFMHAX-INIZCTEOSA-N 339.439 2.779 0 50 EFAA CCn1nc(CNC(=O)CC[C@@H]2CCCN(C)C2)c2ccccc21 95355387 JEKPBNDKPKSYGP-HNNXBMFYSA-N 328.460 2.794 0 50 EFAA O=C(NCc1cccc(N2CCCC2)c1)c1cccc(-n2cnnc2)c1 92038506 BUMDIVHBVHOBLC-UHFFFAOYSA-N 347.422 2.798 0 50 EFAA O=C1[C@H]2CC[C@H](CN(c3ncnc4ccsc34)C2)N1CC1CC1 95360427 OEDQXPMNGPPSQS-QWHCGFSZSA-N 328.441 2.529 0 50 EFAA Cc1csc([C@@H](C)N(C)C(=O)c2coc(CN3CCOCC3)c2)n1 97475567 DTTPMGWPDRYBTJ-CYBMUJFWSA-N 349.456 2.710 0 50 EFAA O=C(O)c1cccc(CNC(=O)[C@@H]2CCCN(C3CCCC3)C2)c1 95498088 BEGNHFPSJODYPU-MRXNPFEDSA-N 330.428 2.656 0 50 EFAA Cc1cc(C(=O)N(C)Cc2nccn2Cc2ccccc2)nc(C)n1 347566805 JQRINMDGHANBOC-UHFFFAOYSA-N 335.411 2.610 0 50 EFAA Br[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@@H]6[C@H]8[C@H]9[C@H]([C@H]1[C@@H]4[C@@H]9[C@H]56)[C@@H]([C@H]87)[C@@H]32 257355324 AGWSVDQUESSJJJ-COBKLELBSA-N 339.276 2.978 0 50 EFAA CC[C@@H]1C[C@H](C(=O)NC2CCN(c3ccccc3OC)CC2)CCO1 183648449 HPTKIUMZVHRTLM-NVXWUHKLSA-N 346.471 2.985 0 50 EFAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 253614756 AYEXSTRNLGYBSQ-LAMJPENXSA-N 348.483 2.889 0 50 EFAA CN(C(=O)NC[C@H]1CCSC1)[C@H]1CCCN(c2ccccc2)C1=O 253428710 QXLNPKWWRKSMDX-ZBFHGGJFSA-N 347.484 2.577 0 50 EFAA CCc1nn2c(c1C(=O)NCc1ccccn1)N[C@H](c1ccccc1)C2 263618193 RSMFZVFJUIZGRU-KRWDZBQOSA-N 347.422 2.937 0 50 EFAA CCOC(=O)c1nc(C(F)(F)F)ccc1I 263623795 KURUIRMOXRAICI-UHFFFAOYSA-N 345.058 2.882 0 50 EFAA CN(C(=O)CCCc1nc(-c2cccnc2)no1)C1CCSCC1 299766470 DKRFFTZKTWPDBQ-UHFFFAOYSA-N 346.456 2.808 0 50 EFAA O=C([C@@H](O)c1ccccc1F)N1CCC(N2CCCCCC2)CC1 299786255 PUCWRGFXLVEAJJ-SFHVURJKSA-N 334.435 2.726 0 50 EFAA COc1ccc(NC(=O)N2CCN(C3CCCC3)C(=O)C2)c(C)c1 299763042 YABVIWKUCKVUJY-UHFFFAOYSA-N 331.416 2.622 0 50 EFAA CC[C@@H](c1nc(COc2ccc(F)cc2)nn1CC)N1CCOCC1 822663270 DVKHLHHMJYWXRU-INIZCTEOSA-N 348.422 2.799 0 50 EFAA Cc1cccnc1N(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 1875276050 HNHDOWRGOGDMIQ-UHFFFAOYSA-N 338.333 2.757 0 50 EFAA CO[C@@]1(c2nnc(-c3ccn(-c4ccccc4Cl)n3)o2)CCOC1 886085659 JWRHIJZGBQHZAG-INIZCTEOSA-N 346.774 2.838 0 50 EFAA Cc1nnc([C@H]2CCCN(C(=O)c3cccnc3OC(C)C)[C@H]2C)o1 886085071 ZIAVENQMFCDBHA-JSGCOSHPSA-N 344.415 2.969 0 50 EFAA O=C(Nc1ccn(C2CCOCC2)n1)Nc1cccc2c1COCC2 888102416 XBWWJZCQRKWZAS-UHFFFAOYSA-N 342.399 2.951 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2ccc(C(C)(C)C)cc2)o1 1775957276 LTQHUPUUNUUDRB-HUUCEWRRSA-N 343.427 2.878 0 50 EFAA CC1=CCN(C(=O)N[C@H]2C[C@]3(CCNC3)Oc3ccccc32)CC1 1336273786 UJJGDTUHPWJFTF-LPHOPBHVSA-N 327.428 2.604 0 50 EFAA O=C(c1cc(-c2c(F)cccc2F)no1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1354982671 ZLHHANYQTFFSDG-ANGCBRKESA-N 344.317 2.645 0 50 EFAA Cc1cccc(-c2nsc(N3CCC(n4cnnc4O)CC3)n2)c1 631257141 WDTAQPAOCWDDDN-UHFFFAOYSA-N 342.428 2.652 0 50 EFAA CO[C@@H](C)c1noc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 275894086 HYCPZRGTIZJULO-SWLSCSKDSA-N 345.447 2.726 0 50 EFAA Cc1oc2ccccc2c1CNC(=O)N1CCC2(CC1)OCCO2 186156594 AXKZFBVCPUCXLC-UHFFFAOYSA-N 330.384 2.790 0 50 EFAA Cn1cc([C@@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@H]2CO)cn1 278573061 CFUPGTDLCBVFNM-HKUYNNGSSA-N 337.423 2.888 0 50 EFAA C[C@@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccc(F)cc1F 170595005 YBZADSDEPBHJNW-JTQLQIEISA-N 326.368 2.629 0 50 EFAA COCCOc1ccc(CN[C@@H]2CCc3ccc(OC)cc3C2)cn1 170688897 QRCVYHNTAIMPBU-GOSISDBHSA-N 342.439 2.763 0 50 EFAA CN(C)[C@@H](CNC(=O)NCCc1ccccc1O)c1ccccc1 171579562 BTVOJGVAAKECGA-KRWDZBQOSA-N 327.428 2.537 0 50 EFAA Cc1cc(C)c2c(c1)CN([C@H]1CCCN(c3cnn(C)c3)C1=O)CC2 186727515 YLBMPJBOZLCRPM-IBGZPJMESA-N 338.455 2.591 0 50 EFAA COc1cc(C)c(NC(=O)N2CCCN(CC(F)F)CC2)cc1F 186838054 OASKFWQSZLEIOD-UHFFFAOYSA-N 345.365 2.947 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C 187250021 WQXQQXRDDNEJOI-DZGCQCFKSA-N 343.431 2.530 0 50 EFAA Cn1ncc(Cl)c1CN1CCC(OC[C@H]2CCCCO2)CC1 187425531 IOARQAGIUIJHCX-CQSZACIVSA-N 327.856 2.624 0 50 EFAA O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1CC1(F)F 408486299 SBDSKFNWTGRBLF-VKHMYHEASA-N 336.168 2.515 0 50 EFAA Cc1ccc(CS(=O)(=O)N[C@@H]2CC(C)(C)OC2(C)C)c(F)c1 192825676 GIXAQVNGUBKGNV-CQSZACIVSA-N 329.437 2.900 0 50 EFAA O=c1c2cc(Br)cc(F)c2ncn1Cc1cccnc1 193674480 HABRGTZNMDTIAW-UHFFFAOYSA-N 334.148 2.741 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H](OC2CCC2)C1 654539424 GYNVVCZZMQPPJL-ZFWWWQNUSA-N 333.432 2.894 0 50 EFAA CCN1CCC(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1529114105 KVYUPRLUNFIYLK-UTKZUKDTSA-N 339.483 2.554 0 50 EFAA CCOCCc1nnc(NC(=O)c2csc(C(C)C)n2)s1 1529151302 AOBCHIKZHYTALX-UHFFFAOYSA-N 326.447 2.949 0 50 EFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 310193 FSLGUDYXFROWKL-FMIVXFBMSA-N 348.424 2.962 0 50 EFAA O=C1NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)S1 973806 ZKYVGMMEWZRAPH-XNWCZRBMSA-N 328.143 2.502 0 50 EFAA O=C(O)c1c(N2C[C@H]3CC[C@@H](C2)NC3)noc1-c1ccc(Cl)cc1 1772705748 ZKGRXKHIHVNMOH-GWCFXTLKSA-N 347.802 2.881 0 50 EFAA CCN1CCN(CCOc2ccccc2CN2C[C@H]3C[C@@]3(C)C2)CC1 1772813612 JYAJOIJLHIEOEQ-CTNGQTDRSA-N 343.515 2.545 0 50 EFAA CC1(C)C[C@@H](Nc2nc3nonc3nc2NC2CCCC2)CCO1 12715395 DVRVJSKHZVIRKD-NSHDSACASA-N 332.408 2.737 0 50 EFAA CCOC(=O)Cc1c(C)[nH]c2cc(-c3ccc(Cl)cc3)nn2c1=O 18276274 QRSHKGJTOPQJLI-UHFFFAOYSA-N 345.786 2.757 0 50 EFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669494 ZDDIUODHMHYDIY-IFXJQAMLSA-N 343.379 2.543 0 50 EFAA O=C(c1cscn1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857672973 KOPXEELWNRUXTC-LESCRADOSA-N 328.437 2.741 0 50 EFAA CCCCc1nc(CN2CCN3C(=O)OC[C@]3(CC)C2)c(Cl)[nH]1 1857676055 NUYMYSUFNOEXPI-INIZCTEOSA-N 340.855 2.822 0 50 EFAA COc1ccc(C[C@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237229596 DQUXRSJXNGNHCA-GOEBONIOSA-N 333.428 2.977 0 50 EFAA Cc1nn(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c(C)c1Cl 455866021 AHXLVXUSINOEOU-CYBMUJFWSA-N 349.818 2.655 0 50 EFAA CC(C)(O)C(=O)NC1CCN(c2cccc(C(F)(F)F)c2)CC1 225431987 JRPNFJCNVZNXLU-UHFFFAOYSA-N 330.350 2.561 0 50 EFAA Cc1cc(C)c(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)s1 320484162 MXUPZAURBKCVMA-ZDUSSCGKSA-N 339.438 2.512 0 50 EFAA CO[C@@]1(c2nnc(COc3cc(F)ccc3Cl)o2)CCOC1 643650522 CCYXVHZMBWGPHV-AWEZNQCLSA-N 328.727 2.703 0 50 EFAA C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CCOC1 241587882 OXWPRDUBGZFWNY-IAGOWNOFSA-N 346.471 2.706 0 50 EFAA Cc1noc(C(C)C)c1C(=O)NC[C@](C)(C(=O)O)c1ccccc1 263284534 KKELLKGIQUTVHL-SFHVURJKSA-N 330.384 2.879 0 50 EFAA C[C@@H](CNc1nc(-c2cccnc2)nc2c1CCC2)Cn1ccnc1 267100756 ZFHCJLJDMWJZEW-AWEZNQCLSA-N 334.427 2.972 0 50 EFAA Cn1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c(C2CCCC2)n1 907062735 KEGDQZXLHSCUON-LBPRGKRZSA-N 347.431 2.934 0 50 EFAA CN(C[C@@H](O)c1ccccc1)C(=O)Cn1ccnc1-c1ccccc1 828599396 QDJRWGIIKTWPNO-GOSISDBHSA-N 335.407 2.742 0 50 EFAA COc1ncc(NC(=O)N2CC[C@H](CF)C2)c(C)c1Br 932960906 WHPFEGKWPSPLEI-SECBINFHSA-N 346.200 2.984 0 50 EFAA CCc1nc(O)c(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)cc1C 934650828 PJUFXAVVCPQRAR-MRXNPFEDSA-N 328.416 2.677 0 50 EFAA COc1cc2c(nn1)CCN(C(=O)c1c[nH]cc1Cc1ccccc1)C2 934866575 WPTGHCPRXNOSLV-UHFFFAOYSA-N 348.406 2.603 0 50 EFAA Nc1cc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)ccn1 839154558 HZCCCAJUODIMRS-SFHVURJKSA-N 333.382 2.888 0 50 EFAA Cn1ncc(Br)c1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 343645466 XTZSDWQTKAFDOF-UXIGCNINSA-N 342.281 2.698 0 50 EFAA COc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(OC)cc1Cl 264653 BMJCSHSYKKYZNO-SNVBAGLBSA-N 333.837 2.920 0 50 EFAA CC(C)(C)OC(=O)N1CC=CCN1CC(=O)N1CCc2ccccc21 931156176 CJBKMZBHLGVYMI-UHFFFAOYSA-N 343.427 2.600 0 50 EFAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H](CO)Cc1ccccc1 120412862 UWCFXFJHTXHDPQ-CYBMUJFWSA-N 339.317 2.826 0 50 EFAA Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 6170 UTLPKQYUXOEJIL-UHFFFAOYSA-N 345.366 2.559 0 50 EFAA investigational OC[C@H]1[C@@H]2CC[C@@]3(CN(CC4=Cc5cc(Cl)ccc5OC4)C[C@@H]13)O2 2356162592 GJSDBSVUZVJLJD-NEPXVJNWSA-N 347.842 2.588 0 50 EFAA Cc1noc(-c2ccc(N[C@H]3COC[C@H]3Cc3ccncc3)nc2)n1 2356165048 QLEDGMOFWKSQRP-CVEARBPZSA-N 337.383 2.505 0 50 EFAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCCCCC1 4568683 OVMWWERKBIYFIB-UHFFFAOYSA-N 333.823 2.833 0 50 EFAA C[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(N)=O)C(Cl)=C(Cl)Cl 4956264 QHERVRWMFPILRD-BIIVOSGPSA-N 326.607 2.871 0 50 EFAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CCC(=O)[C@@]2(C)O 4789232 KKPWLTSTAUZZSR-VIBWQBJDSA-N 348.483 2.889 0 50 EFAA CC(=O)c1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100628940 MVNKCAOFHKGGTN-LSDHHAIUSA-N 332.787 2.776 0 50 EFAA CC[C@@H]1COCCN1C(=O)Nc1cc(C)nn1Cc1ccccc1 115641426 OQVPEMNSTWRVJZ-MRXNPFEDSA-N 328.416 2.883 0 50 EFAA CSc1nc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccn12 119567415 IRDKGDGRRUOAQR-ACJLOTCBSA-N 345.468 2.823 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)o1 347066979 LDWOJNQCUZISMG-UHFFFAOYSA-N 346.402 2.894 0 50 EFAA Cc1cccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1C 249142246 WGXPIBCVCKIMBI-DOTOQJQBSA-N 347.503 2.851 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 136145237 SNEJMAPLVSTWJO-LBPRGKRZSA-N 346.408 2.659 0 50 EFAA CC[C@@H](COC)NC(=O)CCc1nnc(-c2cc3ccccc3[nH]2)o1 20450433 ARPCGAZOBCUPBY-ZDUSSCGKSA-N 342.399 2.692 0 50 EFAA Cc1ccc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 67674661 ZGGLCEDEBMHJCS-DLBZAZTESA-N 339.391 2.714 0 50 EFAA Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229551908 QTWYTJKNSDQUGU-RBLKWDMZSA-N 339.461 2.520 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CCO1 252497860 DYJXKUJKSPNJJV-MDASCCDHSA-N 346.446 2.641 0 50 EFAA CC1(C)[C@H](NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@@H]2CCO[C@H]21 230137450 PFZKRQDSEHUQCR-PTEVLDHESA-N 336.382 2.933 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CCS[C@H]3COCC[C@H]32)cc1 230126828 NRYWIDCSXQVBME-SJORKVTESA-N 345.468 2.792 0 50 EFAA Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cn1 12093550 NDMWZLKZJLVEAZ-KRWDZBQOSA-N 330.407 2.595 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)c1nc(C)nc2oc(C)nc12 63834885 DTBHZPGGFSSCRX-UHFFFAOYSA-N 330.392 2.843 0 50 EFAA CC(C)Oc1ccc(CCNC(=O)N[C@H]2CC[C@H](CO)CC2)cc1 152084500 MLNARNNGOKWTEB-CALCHBBNSA-N 334.460 2.867 0 50 EFAA Cn1nc(C(=O)N2CCC(C3CCC3)CC2)c2ccccc2c1=O 855439529 HHXLTXYOLPYMBG-UHFFFAOYSA-N 325.412 2.586 0 50 EFAA COc1ccccc1-n1cc([C@H](C)N2Cc3ncccc3C2=O)cn1 65491697 UQYRJKIQTNGKEK-ZDUSSCGKSA-N 334.379 2.993 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)[C@@H](C)c3cc4ccccc4o3)CCO2)o1 328608686 AYIBCYLBAQFCMS-MEDUHNTESA-N 341.367 2.828 0 50 EFAA Cc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)on1 328624565 CNHWITLWMBPLPD-OAHLLOKOSA-N 331.441 2.829 0 50 EFAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCOC[C@H]1c1ccccc1 253428025 OPQQWYHFUBXFHW-SFHVURJKSA-N 349.394 2.873 0 50 EFAA Cc1[nH]nc(CCC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)c1C 77519692 FLONLUCUWQZFGO-QGZVFWFLSA-N 340.471 2.944 0 50 EFAA COc1cccc2c1OCCCN(C(=O)[C@@H]1Cc3ccccc3O1)C2 215461080 XLUDKAHWZFJMAW-SFHVURJKSA-N 339.391 2.810 0 50 EFAA O=C(Cn1ccnn1)N1CC=C(c2ccccc2C(F)(F)F)CC1 128389309 RHJKIFCEWMDHTQ-UHFFFAOYSA-N 336.317 2.613 0 50 EFAA CN(C)C/C=C/C(=O)NCc1cccnc1Oc1cccc(F)c1 491686757 SHWWEJBZYXHZJW-WEVVVXLNSA-N 329.375 2.747 0 50 EFAA COc1ccccc1CC(C)(C)NC(=O)c1ccnc(C(=O)O)c1 237139315 BECLUZWRTLZSDD-UHFFFAOYSA-N 328.368 2.540 0 50 EFAA Cc1nnc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)o1 342541337 DALMMOSBUMGXGL-ZDUSSCGKSA-N 326.356 2.523 0 50 EFAA 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CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCO[C@]3(CCOC3)C2)cc1 242339143 ZFGXSQLJJMBFFH-FOIQADDNSA-N 345.439 2.647 0 50 EFAA COC[C@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccc(C)o1 175691084 ZUEGVLQNGQWSEY-LSDHHAIUSA-N 332.404 2.556 0 50 EFAA Cc1ccccc1CCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 289810029 PJIJNLWOMCMSBT-IBGZPJMESA-N 344.480 2.852 0 50 EFAA CC(C)NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220740 GIGUIJVYXSNDDO-SJLPKXTDSA-N 326.444 2.855 0 50 EFAA O=C(NCC1(N2CCCC2)CCCC1)[C@H](O)c1ccc(Cl)cc1 222845258 FLPVDTDJWYRMFC-MRXNPFEDSA-N 336.863 2.898 0 50 EFAA C[C@@H]1CCc2sc(C(=O)NCc3nnc4n3CCCC4)cc2C1 41138952 PITHTODPTIFPNA-LLVKDONJSA-N 330.457 2.731 0 50 EFAA O=C(Cn1cc2ccccc2n1)N1CCCC[C@H]1CCn1cccn1 82107875 KUEWHNRKPBOFFY-KRWDZBQOSA-N 337.427 2.704 0 50 EFAA CCN(CCOc1cccc(Cl)c1)C(=O)NCC1(C)COC1 426623165 DXKWGAWTBXKLJI-UHFFFAOYSA-N 326.824 2.787 0 50 EFAA CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)CSc1ccccc1C)CC2 91643510 QPFXQMZUTADICM-AEFFLSMTSA-N 349.496 2.866 0 50 EFAA 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330.461 2.857 0 50 EFAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N1CC[C@H](N2CC=CC2)C1 136385691 WIKQLQGMZMTOIH-BBTUJRGHSA-N 337.467 2.546 0 50 EFAA CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 65384074 ZTHOMVWNCQQRGS-WGLAMXGCSA-N 343.471 2.975 0 50 EFAA Cc1cccnc1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 67817619 XGLORYHUMSHCJM-OAHLLOKOSA-N 327.403 2.781 0 50 EFAA O=C(c1cccs1)N1CCC[C@H](NC2CSCCSC2)C1 1506429649 VPGRHPXUMJWAGT-LBPRGKRZSA-N 342.555 2.791 0 50 EFAA CC1=C(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)OCCO1 1506421041 DJLHFIBSTCXYPS-UHFFFAOYSA-N 340.379 2.594 0 50 EFAA O=[S@](CCN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 229296344 FGTADYBRGHGTPG-OYLFLEFRSA-N 345.468 2.934 0 50 EFAA COc1cccc(C2(F)CCN(C(=O)[C@@H]3CCCN[C@@H]3C)CC2)c1 423986393 DOHUNKDMBCLWQD-RHSMWYFYSA-N 334.435 2.871 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2cccs2)C1 328610932 JRCQBMHHOKGWKK-MPKXVKKWSA-N 335.429 2.607 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)CC[C@@H]3CCCN(C)C3)cc2)no1 65461178 LHMUYTDRYQFKND-INIZCTEOSA-N 342.443 2.783 0 50 EFAA O=C(c1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CC[C@@H](O)C2)CC1 252503256 VABMUTSHIAUTDZ-GDBMZVCRSA-N 335.831 2.922 0 50 EFAA Cc1cccnc1N1CCN(C(=O)c2nc(C(C)C)cs2)CC1 67726405 RSZNEQLKSIZQBI-UHFFFAOYSA-N 330.457 2.932 0 50 EFAA CC1=C(c2ccco2)CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 253392181 QURNZWKKYHWCKF-KBXCAEBGSA-N 346.452 2.739 0 50 EFAA COCCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253396432 OQGXVIBHLVRCIG-CGTJXYLNSA-N 347.455 2.868 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCc2[nH]nnc2C1 253405303 KHKBJVJSKKGCTQ-IAQYHMDHSA-N 328.416 2.641 0 50 EFAA O=C(CCc1cccnc1)N(Cc1ccncc1)C[C@H]1CCCO1 218924760 LPBJFFISWXWFMO-GOSISDBHSA-N 325.412 2.617 0 50 EFAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]1C(=O)O 237403422 HYUJXQUKTQGUGU-OCCSQVGLSA-N 330.384 2.501 0 50 EFAA Cc1n[nH]cc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 363466749 DCDKPHFOSNGCMP-UHFFFAOYSA-N 337.383 2.788 0 50 EFAA C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(O)CCCCC2)C1 332775453 CBYVQJHACVZQAN-WMZOPIPTSA-N 345.487 2.816 0 50 EFAA CC(C)c1noc(CN2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 77503815 JBOYGMLESZUTJJ-SFHVURJKSA-N 334.464 2.806 0 50 EFAA Nc1c(I)cc(Br)c(F)c1F 261507674 KZLFDVWGAXEVQQ-UHFFFAOYSA-N 333.901 2.914 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1)C1CCCCC1 238084607 PEZGKRFVWQSGJF-MRXNPFEDSA-N 344.411 2.895 0 50 EFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cnn(C)c2)cc1 77505666 LKDWORPCEUSKBB-GOSISDBHSA-N 326.444 2.849 0 50 EFAA Cc1occc1-c1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)no1 369679611 DNRIWOHNPDJKNT-GFCCVEGCSA-N 342.359 3.120 0 50 EFAA O=C(Cc1noc2ccccc12)N1CCNC[C@H]1c1cccc(F)c1 261709780 DMVQURGYXIETAE-KRWDZBQOSA-N 339.370 2.683 0 50 EFAA CC[C@H]1COCCN1Cc1ccc(OCC(=O)NC(C)(C)C)cc1 77355999 XVYHBMGKQGAWTO-INIZCTEOSA-N 334.460 2.591 0 50 EFAA COc1cc2ncn(Cc3cccc(F)c3F)c(=O)c2cc1OC 32503360 USGGVNQNHJQHNF-UHFFFAOYSA-N 332.306 2.740 0 50 EFAA Cc1nc2n(c1C)CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)C2 370938099 WVUWTSDRIHFLLJ-GOSISDBHSA-N 338.455 2.507 0 50 EFAA CCC[C@@]12CCCN1C(=O)N(C1CCN(C(=O)CC(C)C)CC1)C2=O 239366906 AGQWTTHUTANGFP-IBGZPJMESA-N 349.475 2.620 0 50 EFAA COc1ccc(CN2CCCN(C(C)=O)CC2)c2c(OC)cccc12 215695866 VQEAOUKPFTUPMU-UHFFFAOYSA-N 342.439 2.911 0 50 EFAA CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(C)cc3c(C)ccnc23)C1 241262073 LBCXSIBGLRZTJW-MRXNPFEDSA-N 339.439 2.792 0 50 EFAA Cc1cccc2c(=O)n([C@H](C)c3nc(-c4cccnc4)no3)cnc12 32558418 RWLXMPDJRNYONR-GFCCVEGCSA-N 333.351 2.759 0 50 EFAA O=c1[nH]c2cc(F)ccc2cc1Cn1ccnc1-c1ccc(CO)o1 72427108 GJVKYFBOBIFEGW-UHFFFAOYSA-N 339.326 2.664 0 50 EFAA COC[C@H](NC(=O)N[C@H]1CCCC[C@H]1n1cccn1)c1ccco1 245432644 OMOIBCCWTVWHSJ-SOUVJXGZSA-N 332.404 2.647 0 50 EFAA CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 263966358 MGFHFZIBUXADEN-AWEZNQCLSA-N 345.424 2.900 0 50 EFAA CN1CC[C@H](CNC(=O)N2CCC(Cc3ccccc3F)CC2)C1 426535191 PHGZWUQJWHQDBD-MRXNPFEDSA-N 333.451 2.742 0 50 EFAA CNCc1nnc(SC[C@@H](O)C2CC2)n1-c1cccc(Cl)c1 426652979 PTGGZQOJKNPTIK-CYBMUJFWSA-N 338.864 2.503 0 50 EFAA CN1CCN(c2ccnc(-c3noc([C@@]4(C)CC=CCC4)n3)c2)CC1 333870362 UIMPHJAKAGNTQX-IBGZPJMESA-N 339.443 2.881 0 50 EFAA O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)NC1CCNCC1 426677859 FBDQGRUWBDPSNK-QGZVFWFLSA-N 345.418 2.992 0 50 EFAA CCCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(C)=O)C2 91416457 DZPXHIPXBJPXBD-JKSUJKDBSA-N 330.428 2.558 0 50 EFAA CCc1cccc(OC2CN(C(=O)c3ccc(OC)cc3O)C2)c1 95369740 QYGRTEVGHJYLAM-UHFFFAOYSA-N 327.380 2.867 0 50 EFAA CC(=O)N1CCC[C@H](C(=O)NCCSCc2ccccc2C)C1 95366456 YGPKOFKYCQIOLR-INIZCTEOSA-N 334.485 2.603 0 50 EFAA Cc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1nncn1C(C)C 91536633 ASOFYBUIPGFHAM-UHFFFAOYSA-N 346.822 2.741 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCc1nc2ccc(OC)cc2[nH]1 91625407 KDUUYCDNWUVAHP-UHFFFAOYSA-N 341.415 2.841 0 50 EFAA O=C1NCCN(CC2=CCCOC2)[C@H]1c1ccccc1C(F)(F)F 182573736 FJUZHNMQQTWXNH-HNNXBMFYSA-N 340.345 2.525 0 50 EFAA CC(C)(CC(=O)N1C[C@H](F)C[C@H]1C(N)=O)Cc1ccc(Cl)cc1 299745828 SSDUWCNUBUOYAN-KGLIPLIRSA-N 340.826 2.723 0 50 EFAA C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc2ccccc12 184373080 DLTQLICVHMVTLK-MRXNPFEDSA-N 325.456 2.596 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)CCC(=O)Nc1cc(F)ccc1F 252508467 XNSYTMOKSCFEQX-UHFFFAOYSA-N 336.386 2.808 0 50 EFAA O=C1N(Cc2ccc(OC(F)(F)F)cc2)CCN1C1CCNCC1 263623476 HSXGTEVLZLTHGN-UHFFFAOYSA-N 343.349 2.575 0 50 EFAA Cc1cc(S(=O)(=O)N[C@@H](C)c2ncc(C)[nH]2)c2ncccc2c1 534648622 JOCKEOCHIFSSDJ-LBPRGKRZSA-N 330.413 2.614 0 50 EFAA CSCc1nc(CNC(=O)Nc2cn(C(C)C)nn2)cs1 299755571 FSCRRUDOKWMHEP-UHFFFAOYSA-N 326.451 2.500 0 50 EFAA CC(C)N1C[C@@H](CNC(=O)c2ccc(Cn3cccc3)cc2)CC1=O 584901987 CXNXEPVWUKEXCS-QGZVFWFLSA-N 339.439 2.523 0 50 EFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)CN1CCCCCC1 584897174 DHLVNSPKYMYKNT-UHFFFAOYSA-N 328.416 2.571 0 50 EFAA Cc1cnn([C@H](C)C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1 584895637 KRKYBPMALICQEE-CQSZACIVSA-N 325.416 2.904 0 50 EFAA CSC[C@@H]1CCN(C(=O)c2ncn3c2COc2ccccc2-3)C1 1875306478 HZPVBHJBHLUHSJ-GFCCVEGCSA-N 329.425 2.590 0 50 EFAA COc1ccccc1-c1cn(Cc2ccc3c(c2)CCC(=O)N3C)nn1 1875272288 FRSYTXXNKGLWFG-UHFFFAOYSA-N 348.406 2.911 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)c(C(F)F)nn1C 1875293274 JYVBYFOQABGQSU-GFCCVEGCSA-N 337.374 2.767 0 50 EFAA Cn1cc([C@@H]2CSCCCN2C(=O)c2ccn3c2CCCC3)cn1 1875271849 VPXHHOSKISOURW-KRWDZBQOSA-N 344.484 2.878 0 50 EFAA Cc1c(NC(=O)CN2CCCCCC2)cccc1-c1nncn1C 952869038 LDRUTHGAFFOVGF-UHFFFAOYSA-N 327.432 2.605 0 50 EFAA O=C(CCN1CCCC1=O)Nc1ccc(Cl)c(C(F)(F)F)n1 1775999692 WOMISJYFOHYSKO-UHFFFAOYSA-N 335.713 2.705 0 50 EFAA CCN1CCC[C@@H](n2cc(-c3csc(-c4ccoc4)n3)nn2)C1=O 1776006604 RRGCEWBMISKNBQ-CQSZACIVSA-N 343.412 2.845 0 50 EFAA O=C(c1cc(-c2c(F)cccc2F)no1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1354982672 ZLHHANYQTFFSDG-NBLIUIFLSA-N 344.317 2.645 0 50 EFAA CC(C)(C)OC(=O)N1CCN(c2ncccc2Br)CC1 38537799 FCYPZKOIXIHNRE-UHFFFAOYSA-N 342.237 2.901 0 50 EFAA in-vitro Cc1scc(C(=O)N[C@@H]2[C@H]3OCC[C@H]3[C@H]2N)c1-c1ccccc1 1565505751 SRTNVJYKPDGOSK-IEAZIUSSSA-N 328.437 2.568 0 50 EFAA O=C1c2ccccc2CS(=O)(=O)N1C[C@@H]1CC2(CCCCC2)CO1 1363174569 IVPXCQOJJKVJQZ-HNNXBMFYSA-N 349.452 2.712 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C2=COCCC2)CC1 276033257 RMURVFVVCNVQEI-SFHVURJKSA-N 329.444 2.589 0 50 EFAA CCC[C@]1(CO)CCCN1C(=O)c1ccc(N2CCCC2=O)cc1 278213067 TURLCIUSWPVGEG-LJQANCHMSA-N 330.428 2.581 0 50 EFAA CCOc1ccccc1-n1nnnc1SCCCN(CC)CC 170605511 SQVIWHGVKYPGCJ-UHFFFAOYSA-N 335.477 2.885 0 50 EFAA CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 170759445 KYKZLTQAYBFFHW-AWEZNQCLSA-N 344.440 2.717 0 50 EFAA CC1(C)CN(CCNC(=O)Nc2ccc3scnc3c2)CCO1 171541840 KYSUIAGCCKVHOJ-UHFFFAOYSA-N 334.445 2.529 0 50 EFAA CN(C)C(=O)c1cccc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 281406660 NWOQGFHKCPHGEG-QRVBRYPASA-N 330.472 2.904 0 50 EFAA CS[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)C1 225259374 MGFJDMDJNYIVAY-VVYDWRJNSA-N 340.514 2.850 0 50 EFAA C[C@@H]1c2ccc(Cl)n2CCN1CC(=O)NCCOc1ccccc1 225843482 MCUOGRIHGREVTL-CQSZACIVSA-N 347.846 2.713 0 50 EFAA CCc1ccc([C@H]2CN(C(=O)c3ccc(O)cc3O)CCO2)cc1 190912136 XFQXAHNWDQYLCC-GOSISDBHSA-N 327.380 2.874 0 50 EFAA COC(=O)c1cncc(NC(=O)N2CCC(c3ccncc3)CC2)c1 191917695 VMBGSFSVOVLFDQ-UHFFFAOYSA-N 340.383 2.675 0 50 EFAA Cc1nnc(CCNc2ncc(Cl)cc2Br)n1C 192892337 VPUKPXXLXGUAPM-UHFFFAOYSA-N 330.617 2.589 0 50 EFAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ccc2ccncc2c1 650055680 WUPJBBQAAGKKHJ-KRWDZBQOSA-N 325.412 2.612 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 194460067 DDJULCWWTKUKAS-CMPLNLGQSA-N 334.397 2.624 0 50 EFAA C[C@H](Cn1cncn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 657977970 FDDBIHOXQCQXPC-CHWSQXEVSA-N 339.365 2.554 0 50 EFAA C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)[C@H](O)c1cccc(F)c1 760464074 RCBHSVVKTVHAIE-SDBXPKJASA-N 341.791 2.962 0 50 EFAA CN(Cc1nccs1)S(=O)(=O)Cc1ccc(Cl)cc1F 1191888163 PCGTYWRJPQBJMP-UHFFFAOYSA-N 334.825 2.897 0 50 EFAA Cc1ccn2c(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)nnc2n1 1529112559 NCZSBHVBKWHZKR-SECBINFHSA-N 327.413 2.871 0 50 EFAA Cc1ccn2c(NC(=O)c3cc4c(s3)CC[C@H](C)C4)nnc2n1 1529112562 NCZSBHVBKWHZKR-VIFPVBQESA-N 327.413 2.871 0 50 EFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc4c3ccn4C)C[C@@H]2CC1=O 1529102055 UYVYJQLEJNYRRX-QLFBSQMISA-N 339.439 2.507 0 50 EFAA CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704353467 NVOCWIHBYYJUHL-KPWCQOOUSA-N 325.355 2.989 0 50 EFAA COc1ccc(NC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)cc1 1704344946 QWBWHGFNPMBTCC-KRWDZBQOSA-N 334.416 2.623 0 50 EFAA Cc1ccc(-c2ccccc2CN(CCO)Cc2cncn2C)o1 1704335765 RGWAUIZJXKDWDR-UHFFFAOYSA-N 325.412 2.983 0 50 EFAA CNCc1nnc(NC[C@@H](c2ccc(C)cc2)N2CCC(C)CC2)o1 1772708562 DLGBXZUQXWSNMT-KRWDZBQOSA-N 343.475 2.983 0 50 EFAA CC(=O)c1ccc(-c2nnc(CCC(=O)NCC(F)(F)F)o2)s1 11813008 UNMXMGIKOPJAPS-UHFFFAOYSA-N 347.318 2.612 0 50 EFAA O=C(NCCn1ccc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 12436315 OGUVYVJLENZJKN-GOSISDBHSA-N 347.418 2.811 0 50 EFAA CCN(CC)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 12706067 AREVJFLUKPCLBC-UHFFFAOYSA-N 331.416 2.664 0 50 EFAA Cn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 19733339 HVLSVLXQWSCKRE-ZDUSSCGKSA-N 331.803 2.553 0 50 EFAA Cc1cccc(C)c1NCc1cn(CC(=O)N2CCCC2(C)C)nn1 1857532429 PJENPUCAPGHCJL-UHFFFAOYSA-N 341.459 2.908 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(-c3cccnc3)cc1)C2 1857668877 PHXIOYAVJOBHCS-AZUAARDMSA-N 338.407 2.672 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCn1cnc2ccccc21 1857677985 HMEGVJWPLXWEGZ-URKNILKWSA-N 341.411 2.671 0 50 EFAA CC[C@H](O)CCNC(=O)NCCCc1cccc(Br)c1 305081427 QSXSXNVPQVGEGN-AWEZNQCLSA-N 343.265 2.842 0 50 EFAA C[C@H](c1ncc(Br)cn1)N1CC[C@@H](Oc2ccccn2)C1 331405528 BQBTWCMYJYNQOQ-DGCLKSJQSA-N 349.232 2.848 0 50 EFAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 246875699 JTGTYQQXRVWYJQ-RWMBFGLXSA-N 329.400 2.604 0 50 EFAA C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 253420023 HZVSSFTWLJEYSZ-LEUOFYLZSA-N 332.444 2.816 0 50 EFAA CN1[C@H]2CC[C@H]1CC(NCc1cnn(-c3ccc(Cl)cc3)n1)C2 774153744 BFNZDMDUEIMFDI-IRXDYDNUSA-N 331.851 2.636 0 50 EFAA CC(C)OCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 152909557 FJGGIMSRZXUBJI-UHFFFAOYSA-N 329.444 2.884 0 50 EFAA COCc1ccccc1CNC(=O)N1CCC(c2ccnn2C)CC1 156234513 GRHYIPWMHUQTAB-UHFFFAOYSA-N 342.443 2.656 0 50 EFAA Cc1nc2ccc(C(=O)N3CCO[C@@H](c4ccco4)C3)cc2n1C 375648170 IHVMKCVPBMGTDC-QGZVFWFLSA-N 325.368 2.688 0 50 EFAA CC(C)c1cccc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910613592 WRDPJDUGQBYVGE-WUJZJPHMSA-N 331.412 2.952 0 50 EFAA C[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 916971089 ZPTQQAODEOZHNF-SJCJKPOMSA-N 344.365 2.930 0 50 EFAA Cc1noc(-c2ccccc2C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)n1 831379878 QLEAHASTIZVGAM-JOYOIKCWSA-N 325.290 2.973 0 50 EFAA O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2c(c1)NC(=O)C2 895332751 OTMQMFAOFNZYFH-UHFFFAOYSA-N 349.390 2.711 0 50 EFAA CC(C)(C)OC[C@@H]1C=C[C@H](n2cnc3c(NC4CC4)nc(N)nc32)C1 210463097 GUTJAVLKEBLQJK-YPMHNXCESA-N 342.447 2.915 0 50 EFAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 44749 CBVXHYOXOKNSOI-CYBMUJFWSA-N 341.386 2.883 0 50 EFAA CC(=O)Oc1ccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)cc1 70156 PNSNLVGCQBLTLA-UHFFFAOYSA-N 339.303 2.706 0 50 EFAA biogenic Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2)no1 369256 WAFQKBJJHKMJCO-UHFFFAOYSA-N 326.312 2.784 0 50 EFAA CCC[C@]1(C(=O)O)CCN(CCc2c[nH]c3ccccc23)C[C@H]1O 2356148007 CCCPTGMAURNEKX-MJGOQNOKSA-N 330.428 2.648 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2C)cc1 4995727 IMPXUJGBTMLICL-UHFFFAOYSA-N 333.409 2.892 0 50 EFAA COc1cccc(CNc2nn[nH]n2)c1OCc1ccc(C)cc1 4999769 CQEFHNXAMYOZSD-UHFFFAOYSA-N 325.372 2.708 0 50 EFAA Cc1c(C)n(CCCO)c2ncn3nc(-c4ccc(F)cc4)nc3c12 6764189 UIMFTWRPTZQDAJ-UHFFFAOYSA-N 339.374 2.884 0 50 EFAA COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cncnc1OC 135955074 JXISLVICKPYBNX-CQSZACIVSA-N 342.399 2.733 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1 347953949 UCVFPWUWFJKWRL-YPMHNXCESA-N 346.324 2.806 0 50 EFAA COc1ccccc1OCCCN1CC=C(c2cnn(C)c2)CC1 65499172 FYNUWSWRXIBPBO-UHFFFAOYSA-N 327.428 2.987 0 50 EFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 67726668 UFKJWFMGSFCAJD-HNNXBMFYSA-N 347.440 2.913 0 50 EFAA Cc1c(CN2CCN(c3ncc(F)cn3)CC2)[nH]c2ccc(F)cc12 67947981 TUKZFLFIXQTARX-UHFFFAOYSA-N 343.381 2.867 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 121582235 SDHQUQWDTVYPHT-HSALFYBXSA-N 338.451 2.671 0 50 EFAA Cc1ccccc1N1CCN(Cc2c(C)nn(CCO)c2C)[C@H](C)C1 67677787 HQKSGTRCVOWENY-MRXNPFEDSA-N 342.487 2.511 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)c2ccccc21 327381398 OLOBVXIIOWNIQT-CQSZACIVSA-N 339.347 2.677 0 50 EFAA CN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328602322 BCFNBPLRWXZTOK-ALKREAHSSA-N 348.874 2.933 0 50 EFAA Cc1ccc(-c2n[nH]cc2CNCCCN2CCCC2=O)cc1C 11935439 PDAPTOXEPCFIBP-UHFFFAOYSA-N 326.444 2.796 0 50 EFAA C[C@H]1CCCN1C(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328602122 AGWQRJORDJELRW-JCGIZDLHSA-N 325.412 2.961 0 50 EFAA Cc1cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)ccc2o1 219265050 UJTDUFZSLKXLLI-QXCFHYIPSA-N 340.423 2.723 0 50 EFAA O=C(NCC1(N2CCOCC2)CCCCCC1)c1cccn1C1CC1 215050233 NEFFTTYVSBFTER-UHFFFAOYSA-N 345.487 2.978 0 50 EFAA CN1CC[C@H]2CN(Cc3cnc(SCc4ccccc4)nc3)C[C@H]21 215678292 GMEXKWTZKBGYCG-ZWKOTPCHSA-N 340.496 2.905 0 50 EFAA CC(C)(C)n1cc(C(=O)N2CCC[C@H]2COc2ccccc2)nn1 333034496 CSSQZUQEUWCBJP-AWEZNQCLSA-N 328.416 2.717 0 50 EFAA O=c1[nH]c(CNc2nccc(CCC(F)(F)F)n2)nc2ccccc12 71763723 OUGOETZOUKYNQJ-UHFFFAOYSA-N 349.316 2.820 0 50 EFAA O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(Cc2ccccc2)C1=O 363120427 QXLSAZOCIUHDTR-INIZCTEOSA-N 345.349 2.887 0 50 EFAA C[C@H](NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccnn1C 447583271 BCUAGAZKQXGRKD-JSGCOSHPSA-N 341.377 2.941 0 50 EFAA O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1O2 245879174 NACTUEJIHOCAQZ-YIDVYQOGSA-N 336.819 2.789 0 50 EFAA Cc1c(C)n(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc12 35828007 WXOBULQTZVWRSU-UHFFFAOYSA-N 349.438 2.511 0 50 EFAA CN1C[C@H](C(=O)N(C)Cc2cccc(F)c2)c2ccccc2C1=O 368471017 OYSSXDOVWRPOIK-KRWDZBQOSA-N 326.371 2.654 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CC34CCNCC4)[C@H](C)CO2)c1 261933568 LPEZNCXCVFYSNX-QRQLOZEOSA-N 342.483 2.982 0 50 EFAA Cc1nnc(CC(=O)N2CCC3(CC2)C2CC4CC(C2)CC3C4)o1 372777884 YQYRRNQBVQKAPT-UHFFFAOYSA-N 329.444 2.985 0 50 EFAA COCC(C)(C)CNC(=O)c1cc(C)n(Cc2ccncc2)c1C 343521029 CJPXNETTYIEUEX-UHFFFAOYSA-N 329.444 2.951 0 50 EFAA O=C(C[C@@H]1CCNC1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215274480 VMHFAHXLDSSHLB-LBPRGKRZSA-N 344.846 2.614 0 50 EFAA c1cn(Cc2ccc3c(c2)CCCO3)c(-c2cc3n(n2)CCCNC3)n1 72447703 JTQKOBUFANHYNU-UHFFFAOYSA-N 349.438 2.613 0 50 EFAA COCc1c(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)noc1C 71721508 FRNYKTWNALHKEC-CQSZACIVSA-N 343.427 2.789 0 50 EFAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2nccn2CC(F)(F)F)C1 336879282 LXOMRMAWTFHCAG-ZIAGYGMSSA-N 343.324 2.892 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COC2CCCCC2)c1 337504379 GNULAKRYZVMDPB-YJBOKZPZSA-N 333.428 2.679 0 50 EFAA COC(=O)[C@@H]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)C1 242147506 WSIDTNHXPWLCTM-RKDXNWHRSA-N 333.281 2.916 0 50 EFAA COc1cccc([C@H]2CCCN2CC(=O)Nc2cn(C)nc2C)c1 72135363 NEGLGKXZVOHTEC-QGZVFWFLSA-N 328.416 2.513 0 50 EFAA C[C@H](Oc1ccc(CN2CCC(C)(CO)CC2)cc1Cl)C(=O)O 215184287 QNNVWRIUBVJSDS-LBPRGKRZSA-N 341.835 2.786 0 50 EFAA CCC[C@H](CNC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)OC 458912893 JFTFPMFXFVGDQG-IEBWSBKVSA-N 334.460 2.537 0 50 EFAA CC(=O)c1cn(CCC(=O)N2CCC(C(=O)O)CC2)c2ccccc12 40266362 QGDLZRVPHFYPBZ-UHFFFAOYSA-N 342.395 2.557 0 50 EFAA C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 245266934 KUEUWOQVHBMZQB-HYSWKAIVSA-N 336.432 2.799 0 50 EFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCF)cnc21 77357149 YSFNVPKEECZSMR-UHFFFAOYSA-N 332.766 2.988 0 50 EFAA COCCN1C[C@H](Cc2ccc(N(C)C)c3ccccc23)CC1=O 223787063 WQPWAIBVRVMUOH-OAHLLOKOSA-N 326.440 2.943 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2=O)cc1 82137341 JJEAAXAUANXSPR-UHFFFAOYSA-N 330.334 2.762 0 50 EFAA CCN(Cc1noc(C2CC2)n1)C(=O)NCc1ccc2c(c1)CCO2 426728300 QNASJQIWFURYMD-UHFFFAOYSA-N 342.399 2.614 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCCc2ccncc2)n1 222403794 LIWDOQHIQRXXSN-AWEZNQCLSA-N 330.457 2.718 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2c2c(C)noc2C)c(=O)n(C)c1C 426726706 FYKUOESPZGBOLI-HNNXBMFYSA-N 329.400 2.584 0 50 EFAA Cc1ccc(-n2ncc(C(=O)N(C)[C@@H]3CCNC3)c2C(C)C)cc1 179048947 AJIJDRTYKCLGRO-MRXNPFEDSA-N 326.444 2.738 0 50 EFAA Cn1nccc1CCC(=O)N1CCC[C@@H](COc2ccccc2F)C1 426434833 KJMVVWIWLYDHQZ-OAHLLOKOSA-N 345.418 2.809 0 50 EFAA Cc1ccc2c(c1)cc(C(=O)N1C[C@@H](C(=O)O)[C@H](C3CC3)C1)n2C 97698670 WMTXTLKPGCRHJZ-LSDHHAIUSA-N 326.396 2.670 0 50 EFAA CN1CCC[C@H](CCC(=O)NCCN2CCCc3ccccc32)C1 95362399 YJSNBACSMWMIHB-QGZVFWFLSA-N 329.488 2.677 0 50 EFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1ccccc1-c1nc[nH]n1 95356369 WDCLOZOSPPNXIE-AWEZNQCLSA-N 348.406 2.843 0 50 EFAA C[C@](NC(=O)c1csc(S(C)(=O)=O)c1)(C1CC1)C(F)(F)F 331899418 NJGIHALTOKOQGB-NSHDSACASA-N 341.376 2.612 0 50 EFAA Cc1cc(N2CCC(N[C@@H](C)Cc3ccsc3)CC2)nc(N)n1 95379018 YKTXUGGZAKJZMN-LBPRGKRZSA-N 331.489 2.618 0 50 EFAA COCC1(c2nc(C3CCOCC3)nn2-c2ccncc2C)CC1 97681962 PAAJCTHFLQJXJR-UHFFFAOYSA-N 328.416 2.543 0 50 EFAA Cc1ccc(NCCCNc2nccc(-c3cn(C)nc3C)n2)nc1 23145766 SJUZNSMOAMBXJV-UHFFFAOYSA-N 337.431 2.803 0 50 EFAA Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95356381 XUGMNIAKCNMJJP-ZDUSSCGKSA-N 347.802 2.792 0 50 EFAA CCCOc1c(Cl)cccc1NC(=O)NCCS(=O)(=O)CC 97137895 QKVRMNHUWVBOBR-UHFFFAOYSA-N 348.852 2.685 0 50 EFAA Nc1nsc(N2CCN(c3ncc(-c4ccccc4)s3)CC2)n1 268560698 IZYMNHYKLPWDOG-UHFFFAOYSA-N 344.469 2.570 0 50 EFAA COc1ccc2[nH]c(CNC(=O)c3cc(=O)[nH]c4ccccc34)cc2c1 91665364 VOHALECJRAOFFP-UHFFFAOYSA-N 347.374 2.948 0 50 EFAA O=S(=O)(CCCc1ccccc1Br)C[C@@H]1CCCO1 182495704 VAUDOOHKZPMNEI-ZDUSSCGKSA-N 347.274 2.976 0 50 EFAA O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 182551429 LMPJVHCIBACLOV-OAHLLOKOSA-N 331.393 2.771 0 50 EFAA CN(CCC(=O)Nc1cc(F)ccc1F)Cc1n[nH]c2c1CCC2 244899637 ZNEHDENVZYCPHS-UHFFFAOYSA-N 334.370 2.637 0 50 EFAA O=C(N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCO2 244874810 XHQQGWPUPPKNTN-JOQOYGCGSA-N 343.354 2.796 0 50 EFAA CCC1=NO[C@H](C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 243932722 BYOKAWWQVJFMBL-ZDUSSCGKSA-N 348.790 2.604 0 50 EFAA N[C@H]1C[C@@H](c2cc(N3CCC(N4CCCC4)CC3)nc(C3CC3)n2)C1 244795139 RAJJVUVOYFWFKL-IYBDPMFKSA-N 341.503 2.623 0 50 EFAA CN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1CCNC1 269154478 ZYCNLBZSWLJYAC-CYBMUJFWSA-N 331.803 2.961 0 50 EFAA O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(n2ccnc2)CC1 299502369 ICBMJFGQAWNAMT-MRXNPFEDSA-N 331.803 2.704 0 50 EFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1cc(OC)ncn1 184434112 NLJPIBZOPGDDNH-AWEZNQCLSA-N 341.415 2.618 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cnn(-c3ccccc3F)c1)CC2 299792774 GIAYCJRQRLQFSS-AYOQOUSVSA-N 345.418 2.516 0 50 EFAA Cc1nc(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)n[nH]1 298691470 CUEFZEIKTSQKAG-UHFFFAOYSA-N 325.372 2.956 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)/C=C/c2cnc(N(C)C)nc2)c(C)s1 827868198 DEQAYIQFHYAJGD-AEZGRPFRSA-N 345.472 2.849 0 50 EFAA COC(=O)N1CCCC[C@@H]1c1n[nH]c(Cc2ccc(OC)cc2)n1 824674414 BALRKJDDHZHUDW-CQSZACIVSA-N 330.388 2.698 0 50 EFAA Cc1cc(C)n(CCCN(C)C(=O)NCCSc2ccccn2)n1 584891181 NCUHTLPXOHRWAO-UHFFFAOYSA-N 347.488 2.719 0 50 EFAA C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1ccc(-n2ccnc2)cc1 1295515167 YQKVIQARDIHMEA-OXQOHEQNSA-N 349.434 2.696 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccn1 1875291956 RCLJNFURPDJZHP-ZBFHGGJFSA-N 340.379 2.539 0 50 EFAA CO[C@H]1CC[C@@H](c2nc(-c3ncc[nH]3)nn2-c2nc3ccccc3[nH]2)C1 1875335823 IQRLNBDIWGYOTG-NEPJUHHUSA-N 349.398 2.816 0 50 EFAA CC1(c2nnc(-c3ccccn3)o2)CN(C(=O)N[C@@H]2CC=CCC2)C1 952890430 AIVIDTHXMIEOGA-CYBMUJFWSA-N 339.399 2.523 0 50 EFAA COCCCN1CCC2(CC1)CN(Cc1ccccc1)C[C@@H](C)O2 952995391 KTAMMRSNUOXYNO-GOSISDBHSA-N 332.488 2.778 0 50 EFAA COc1ccc2c(c1)C=C(CN(CCN(C)C)C[C@H]1CCCO1)CO2 952863812 WQLWTZYLCACTEU-LJQANCHMSA-N 346.471 2.514 0 50 EFAA CC[C@@H]1C=CCN1Cc1ccc(OCCCN2CCOCC2)cc1 952988848 LLYFLEVEGFVXFR-LJQANCHMSA-N 330.472 2.938 0 50 EFAA Cc1cc(C)cc(C2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)c1 891291592 WKSZBYFKSMCMFQ-INIZCTEOSA-N 349.496 2.834 0 50 EFAA CCc1oc(C(=O)N2C[C@H](C)[C@@](O)(C3CC3)C2)cc1CN1CCCC1 1565528544 PJLNOWSOJLVICR-VBKZILBWSA-N 346.471 2.671 0 50 EFAA CCN(C)c1cc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 1168891164 AAMLPHWXYVXIOU-INIZCTEOSA-N 339.443 2.649 0 50 EFAA Cc1cc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)cnc1C(F)(F)F 1434223013 LBYOVMKELUHFGS-LBPRGKRZSA-N 340.305 2.685 0 50 EFAA C[C@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)c2c(O)cccc21 186310966 QEEIKNBEMMMUPC-NSHDSACASA-N 335.363 2.783 0 50 EFAA CC(C)[C@@H](O)CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 170058580 CEMJLGJKJHRHEI-CABCVRRESA-N 328.416 2.542 0 50 EFAA O=C([C@H]1C[C@H]1C1CC1)N1CCC(c2nnc(S)n2C2CC2)CC1 170655876 AUDFSTXKCZIHJY-KBPBESRZSA-N 332.473 2.654 0 50 EFAA O=C(Cc1noc2ccccc12)N1CC[C@H](OCc2ccncc2)C1 172248259 VNMWAPBFCIRFRK-HNNXBMFYSA-N 337.379 2.583 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NC/C=C/c1cccnc1 408518101 UKMJRQDHERGAKZ-SJKUQHEZSA-N 349.406 2.559 0 50 EFAA Cn1cncc1CN[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 111392367 YOJIYCGPBCYOBC-OAHLLOKOSA-N 336.842 2.967 0 50 EFAA Cc1c(NC(=O)C[C@H]2CCCCO2)nnn1Cc1ccccc1F 192379922 OEAXUWPIPYUMPR-CQSZACIVSA-N 332.379 2.672 0 50 EFAA O=C(c1ncccc1Br)N1CCO[C@@H]2CCCC[C@@H]21 194891592 BPGNRBNNNOLUJI-NWDGAFQWSA-N 325.206 2.628 0 50 EFAA CCn1c([C@H]2CCCN2C(=O)c2cnns2)nc2ccccc21 195409516 FOSQGBQIXNXQDI-CYBMUJFWSA-N 327.413 2.885 0 50 EFAA O[C@H]1CN(c2nccc3occc23)CC[C@@H]1c1ccc2c(c1)OCO2 212583226 IWNOOUGUOZABCB-HIFRSBDPSA-N 338.363 2.911 0 50 EFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C1CCN(c2ccc(F)c(F)c2)CC1 1772700767 HHHZJTWNQJZZJN-BBRMVZONSA-N 349.425 2.629 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cccc(F)c1C(F)(F)F)C2 1772707645 SBHSMRWWXNSPNN-ABAIWWIYSA-N 347.308 2.768 0 50 EFAA O=C(C1CCC1)N1CCCN(c2cc(C(F)(F)F)ccn2)CC1 1772815717 YQRQZLYYCZUGCL-UHFFFAOYSA-N 327.350 2.939 0 50 EFAA Cc1cccc(N2CCC(N3C[C@H]4CCCN4C(=O)[C@H]3C)CC2)c1C 1772703541 ODXYFUARURWVQK-IEBWSBKVSA-N 341.499 2.967 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 11753954 PXZNCMCHMIXJAK-MRXNPFEDSA-N 330.428 2.618 0 50 EFAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)s1 11936988 LRKITNGWVWFUSA-AWEZNQCLSA-N 343.452 2.507 0 50 EFAA COc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 12074629 WJJFSAJUEDVDMQ-HXUWFJFHSA-N 328.456 2.920 0 50 EFAA Cc1ncsc1CCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 12744141 VSTMGXWYZPJYGZ-INIZCTEOSA-N 330.453 2.854 0 50 EFAA COc1cc(CNC2CC2)ccc1Oc1nnnn1-c1ccccc1 13717760 CYLKXZKZUUURQL-UHFFFAOYSA-N 337.383 2.715 0 50 EFAA CC(C)(C)CN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 14954477 KZYGXCFDDNBJJW-CQSZACIVSA-N 334.464 2.541 0 50 EFAA Cn1c(CNC(=O)c2ccco2)nnc1SCc1ccc(F)cc1 14961681 OTEVUYGQDYURTI-UHFFFAOYSA-N 346.387 2.770 0 50 EFAA COc1cccc(CN[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 15066583 XZIOYAQYPADIDG-SFHVURJKSA-N 342.414 2.768 0 50 EFAA CN(Cc1cccc2cnccc12)[C@H]1CCOC2(CCNCC2)C1 1857669885 AROMNVQNXPRHNY-SFHVURJKSA-N 325.456 2.968 0 50 EFAA Cc1nc2ccccc2nc1-c1nccn1C[C@@H]1CC(=O)N(C2CC2)C1 1857671165 QFKHNFZKOMBEBA-AWEZNQCLSA-N 347.422 2.813 0 50 EFAA CC(=O)N1CCC[C@H]1C(=O)N(C)c1nc2cc(Cl)ccc2s1 225509377 LFWGPTRPLGIGMA-LBPRGKRZSA-N 337.832 2.923 0 50 EFAA O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@@H](O)C1 225488144 OXVZOMWTRSLYDS-CHWSQXEVSA-N 331.334 2.795 0 50 EFAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1C 3855816 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Cn1cccc(CN2CCC3(CC2)OCCc2sccc23)c1=O 2356146876 YLIFZEHZRRPMGS-UHFFFAOYSA-N 330.453 2.511 0 50 EFAA COCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 2454561 GAGNNYWHKIBVEU-BTRQGYIVSA-N 333.387 2.525 0 50 EFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ccc2ccccc12 2474203 LODKNVKUFFFPNV-INIZCTEOSA-N 342.420 2.814 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)cc2o1 2356147222 NCSDASKIYOUTMQ-IBGZPJMESA-N 336.395 2.980 0 50 EFAA CCN(C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)C1 247137012 XCBDRIQKXCGVIJ-HLLBOEOZSA-N 331.460 2.534 0 50 EFAA CNS(=O)(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 6729997 LGGSTXUGJOPYNI-UHFFFAOYSA-N 332.425 2.772 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 247322560 SSIBFSDACHPAHF-CQDKDKBSSA-N 326.362 2.877 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)NCc2nnc3ccccn23)cc1 26504636 IXDYBPMLYSHJKW-ZDUSSCGKSA-N 326.425 2.835 0 50 EFAA O=C([C@@H]1CCOC1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 20999246 IMIHUTWXXREOAP-JKSUJKDBSA-N 325.412 2.819 0 50 EFAA CCn1cnnc1CCNc1cc(C)c2cc(OC)c(OC)cc2n1 55413704 MMTDSIBSWKYEBB-UHFFFAOYSA-N 341.415 2.826 0 50 EFAA CC(C)N1CCC(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)CC1 65383951 WOIIFKFTZRGFBV-IBGZPJMESA-N 340.471 2.861 0 50 EFAA O=C(c1cncc(O)c1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 348002855 KOXBZOWQEBRROD-VIFPVBQESA-N 340.305 2.549 0 50 EFAA Cc1cccc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(C)c3Cl)C2)c1 67850423 AABHHAZMPWWPES-AWEZNQCLSA-N 346.862 2.932 0 50 EFAA OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)cc1 23153324 SUNRBEKTCCPVFA-IBGZPJMESA-N 344.430 2.600 0 50 EFAA Cc1ccc(-c2nc(CNC(=O)[C@H](C)CN)[nH]c2-c2ccccn2)cc1 67834364 NWTVOLZXLJPPFR-CQSZACIVSA-N 349.438 2.658 0 50 EFAA C[C@@H]1C[C@@H](N2CCO[C@@H](c3ccccc3Br)C2)C(=O)O1 229367984 YNQDCRHPYOKVJL-LERXQTSPSA-N 340.217 2.526 0 50 EFAA O=C(Nc1ccccc1O[C@H]1CCOC1)N1CC[C@H](N2CCCC2)C1 120183229 ZWNPRUSALHOXQR-HOTGVXAUSA-N 345.443 2.556 0 50 EFAA CCc1noc([C@H](C)NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)n1 67788461 OTVXTFQDAJEJQY-QMMMGPOBSA-N 333.779 2.582 0 50 EFAA C[C@]1(NC(=O)NC[C@H]2CCCC[C@H]2OCC(F)(F)F)CCOC1 252486379 JOMVAVIXNANDMH-BZPMIXESSA-N 338.370 2.602 0 50 EFAA CCNC(=O)Cc1ccc(C[C@@H]2CC[C@H](CN3CCCC3)O2)cc1 67983007 WBOGMFCNCNRFKV-RBUKOAKNSA-N 330.472 2.551 0 50 EFAA C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2c(cn1)OCCC2 328587157 AMMIVYLZAUNLMW-BXUZGUMPSA-N 332.425 2.710 0 50 EFAA CS(=O)(=O)c1ccsc1NC(=O)CCCC1CCOCC1 282621247 NPCOZFIDBAOQRR-UHFFFAOYSA-N 331.459 2.687 0 50 EFAA COc1cc(-c2nc(Cn3cnc(C)c3)c(C)o2)cc2c1OCO2 67726564 NYUDVTSMSWLLGF-UHFFFAOYSA-N 327.340 2.941 0 50 EFAA CCOC(=O)c1cnc(SC)nc1-c1ccc2c(c1)OCCO2 67833846 LXMZCEUSCSCQBJ-UHFFFAOYSA-N 332.381 2.813 0 50 EFAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(c2ccncc2)C1 302348 SSBVHJXQFPZTGL-SFHVURJKSA-N 325.368 2.553 0 50 EFAA CN1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1422947 RSVFMAAYEFCSJG-UHFFFAOYSA-N 337.272 2.708 0 50 EFAA Cc1ccc(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)cc1 2806763 NAPKMWULLRDMIG-UHFFFAOYSA-N 343.412 2.662 0 50 EFAA O=C(c1cnsn1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253416957 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CCCNc1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1 214977887 VCDBPLYCBCSKPG-SFHVURJKSA-N 325.460 2.787 0 50 EFAA Cc1ccc(-c2ccnc(NCCCN3CCCC3=O)n2)c(C)n1 71758945 SJSMKKUSWXRNOV-UHFFFAOYSA-N 325.416 2.580 0 50 EFAA N[C@@H](C(=O)N1CCC[C@@H](CN2CCCCCC2)C1)c1ccccc1 237798347 WSFZIUMGMIQCTB-PKOBYXMFSA-N 329.488 2.801 0 50 EFAA COc1ccc(C(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c(O)c1 71714539 AEEFFSPNRNQVHV-SFHVURJKSA-N 346.471 2.983 0 50 EFAA CN(C)Cc1nnc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1C 72453949 KJJJNUYYVFQPJZ-JGZYNSJSSA-N 339.487 2.770 0 50 EFAA CC(C)[C@](C)(CO)NC(=O)NCC1CCN(Cc2ccccc2)CC1 378068333 KJGNOZLABJCEBR-FQEVSTJZSA-N 347.503 2.605 0 50 EFAA CC(C)c1noc([C@H](C)NC(=O)CCc2nc3ccccc3[nH]2)n1 219315680 HIEALDNDDDNCSH-NSHDSACASA-N 327.388 2.879 0 50 EFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 241383489 MVRXTKSHWDEPRD-ULQDDVLXSA-N 342.826 2.656 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@H](N)C2)cc(Cl)c1OC(C)C 132417855 FWUZIDQOJVMNHR-IHVVCDCBSA-N 338.835 2.709 0 50 EFAA 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CCn1cc([C@H]2CSCCN2C(=O)c2cccc(OC)c2)cn1 408514567 PNIHTXHDNHOWDQ-MRXNPFEDSA-N 331.441 2.842 0 50 EFAA O=C1CCC(c2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2)=NN1 225523825 SISKOVZXPITBMJ-INIZCTEOSA-N 348.406 2.754 0 50 EFAA CCS(=O)(=O)c1ccc(-c2nc3scc(C)c3c(=O)[nH]2)cc1 225619267 PEPSOKZCDDGQBQ-UHFFFAOYSA-N 334.422 2.754 0 50 EFAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(-n3nccn3)nc2)C1 755948088 VIOGCCXDUFPJBS-CZUORRHYSA-N 349.398 2.672 0 50 EFAA C[S@](=O)c1ccc(NC(=O)NC[C@@](C)(O)C2CCCCC2)cc1 192283033 JKLQAMOUYFDGMI-HXOBKFHXSA-N 338.473 2.877 0 50 EFAA O=C(O)c1cccc(S(=O)(=O)N(Cc2cccs2)C2CC2)c1 192860405 VXYAGDPSDYQDPU-UHFFFAOYSA-N 337.422 2.800 0 50 EFAA O=C(Nc1ccc2nc(O)[nH]c2c1)c1ccccc1Cn1cccn1 741139533 YCPIVKUFRCQNFK-UHFFFAOYSA-N 333.351 2.766 0 50 EFAA CCC1(CC)CN(C(=O)c2ccncc2C(F)(F)F)CC[S@@]1=O 193135883 UZUWHZKFSQYAFE-QHCPKHFHSA-N 348.390 2.864 0 50 EFAA Cc1cnc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cn1 195275639 WYXLUGDSVVLEIE-JTQLQIEISA-N 348.200 2.975 0 50 EFAA CC(=O)Nc1cccc(C(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)c1 211239592 NEEQLNLQSDFJOB-APWZRJJASA-N 332.444 2.904 0 50 EFAA CCCCc1nc(C)cc(NCCNc2ncnc3cc[nH]c23)n1 1772810643 NLTUZAJLOCCUOL-UHFFFAOYSA-N 325.420 2.923 0 50 EFAA CC(C)NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944717 NFNGPACODJLJMX-CYBMUJFWSA-N 347.846 2.737 0 50 EFAA Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 19842741 RDAVZBBEHBWAJU-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccccn1 169754161 HEFMODAOYUJGKM-GFCCVEGCSA-N 339.424 2.542 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCOc3ccccc3Cl)n[nH]c21 1857530828 HJXRJHANRNGCIX-MNOVXSKESA-N 349.818 2.894 0 50 EFAA O=C(Cc1csc(-c2nc[nH]n2)n1)OCC=Cc1ccccc1 1857532268 BXWIUIPNXJIFIX-UHFFFAOYSA-N 326.381 2.727 0 50 EFAA Fc1ccc2nc(C3CCN(c4ncc5cn[nH]c5n4)CC3)[nH]c2c1 1857678058 ARIUHTZUPFKHER-UHFFFAOYSA-N 337.362 2.752 0 50 EFAA COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1nccs1 416575040 ABOJWEHOYMBFNR-QMMMGPOBSA-N 332.834 2.845 0 50 EFAA Cc1cc(NC(=O)N2CCO[C@H](c3ccccc3)C2)nn1C(C)C 421189116 ZMCUTCCJVGSIBU-INIZCTEOSA-N 328.416 3.378 0 50 EFAA CC1CCN(C[C@H]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 120199525 MSCJENPGGXWSLV-APWZRJJASA-N 347.478 2.796 0 50 EFAA CCOc1cc(N2CCCN(C(=O)c3cccc(C)c3)CC2)ncn1 121287425 ZFPQRXXGMKMERX-UHFFFAOYSA-N 340.427 2.536 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)on1 328613520 SFQGCBGNDRNILQ-YPMHNXCESA-N 348.403 2.908 0 50 EFAA CC1(C)CCN(c2cc(Nc3ccccc3)ncn2)CCS1(=O)=O 663846991 NZBGKBJNTFSNLS-UHFFFAOYSA-N 346.456 2.624 0 50 EFAA O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 248004489 SILJFRFAZUFTAC-ROUUACIJSA-N 328.456 2.658 0 50 EFAA CCOc1ccc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)cn1 253385052 RCFBLXBDRBQFDZ-MSOLQXFVSA-N 330.403 2.970 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 154534893 PBSKGQDOKPVWSO-CYBMUJFWSA-N 334.807 2.763 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCC1)C(=O)O 901430210 VPYKDTLLAOFVDQ-FHLIZLRMSA-N 344.455 2.514 0 50 EFAA CCn1nc(C(=O)N=c2c(C)c[nH]cc2Br)cc1C1CC1 906025394 XJTKLKKTWACRAR-UHFFFAOYSA-N 349.232 2.921 0 50 EFAA CCn1nc(C)c(CN2CCC([C@H](O)c3ccccc3C)CC2)n1 824370353 FPPOJQWQZGYGCQ-IBGZPJMESA-N 328.460 2.860 0 50 EFAA CN(C[C@H](O)c1ccccc1)C(=O)Cn1ccnc1-c1ccccc1 828599398 QDJRWGIIKTWPNO-SFHVURJKSA-N 335.407 2.742 0 50 EFAA O=C(c1ccc(F)c(Br)c1)N1CC[C@H]2CC[C@@H](C1)N2 170048520 PAMKDOPAGOPIIM-MNOVXSKESA-N 327.197 2.555 0 50 EFAA CCc1ncc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)cn1 496793328 HQDYALLYBIZHTJ-UHFFFAOYSA-N 334.464 2.966 0 50 EFAA COc1ccc(OCCCn2c(CNC=O)nc3ccccc32)cc1 4809890 MFYLRISHCODHLT-UHFFFAOYSA-N 339.395 2.760 0 50 EFAA Cc1ccc(C(C)C)cc1NC(=O)CN1C(=O)c2cccnc2C1=O 2325784310 SKYGIJRWZNEQRV-UHFFFAOYSA-N 337.379 2.748 0 50 EFAA C[C@@H](Sc1nnc(N)s1)C(=O)Nc1nc2ccccc2s1 4488020 CWHKRUCQCQHNFP-ZCFIWIBFSA-N 337.455 2.849 0 50 EFAA C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC1CCCCC1 6139278 OWVZCDJNUQKVPU-LBPRGKRZSA-N 345.472 2.807 0 50 EFAA COc1ccc(NCCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100648714 YCJQSUFCUSANTO-CABCVRRESA-N 334.803 2.625 0 50 EFAA CC(=O)c1cc(CC(=O)NCc2ccc(CN(C)C)cc2)cs1 20538022 QEZQVAWOQPFWCO-UHFFFAOYSA-N 330.453 2.871 0 50 EFAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)cc1 101396996 RHNYHYPOWDOLBY-OTRWWLKZSA-N 337.375 2.731 0 50 EFAA CCOc1cc(C=O)ccc1OCCCCN1CCN(CC)CC1 20390002 KYCZWMYLBLDAIE-UHFFFAOYSA-N 334.460 2.694 0 50 EFAA Cc1c(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cnn1C 119202808 FSPLLQWFYFPPNR-UHFFFAOYSA-N 329.791 2.702 0 50 EFAA Cc1ccc(C)c(CNC(=O)CCNC(=O)c2ccc(F)cc2)c1 65470247 POGJCIVOWHQNJD-UHFFFAOYSA-N 328.387 2.879 0 50 EFAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(c1ccccc1)c1ccccc1 65534840 ILOLCZUQAKBDQS-MSOLQXFVSA-N 334.419 2.698 0 50 EFAA COc1ccccc1CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67909103 HQWHNUCUIUZSOV-DLBZAZTESA-N 341.407 2.774 0 50 EFAA Cc1cc(=O)c(OCC(=O)Nc2ccc3c(C)cc(O)nc3c2)co1 409413976 MHRZXQIUSGTBPW-UHFFFAOYSA-N 340.335 2.528 0 50 EFAA CCOc1cc(N2CCC[C@H](N(C(C)=O)C3CCC3)CC2)ncn1 328641673 QRXDDWQURAIFSV-INIZCTEOSA-N 332.448 2.635 0 50 EFAA CN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C1CC1 253433595 ZBYBQENDNPDBLY-LBPRGKRZSA-N 346.246 2.697 0 50 EFAA COc1ccc2cc([C@H]3CN(C(=O)CCCCN)CCO3)ccc2c1 71762410 GJCCALVNXNCYPC-LJQANCHMSA-N 342.439 2.877 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1C(C)C 77408464 CXGKQGGVJHBJIB-ZWKOTPCHSA-N 344.455 2.659 0 50 EFAA COCC[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(C)o1 283805236 BNOJUWWZMJTIHH-CQSZACIVSA-N 345.399 2.674 0 50 EFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3nc(C)oc3C)CC2)OC1=O 77486644 ARZOINWCSXEVRZ-GFCCVEGCSA-N 349.431 2.907 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 153658046 AMABEVVPMKRTNU-NSHDSACASA-N 332.322 2.710 0 50 EFAA C[C@H](C(=O)NS(=O)(=O)C1CCCCC1)c1c(F)cccc1F 154673646 HFMXJTITSLTBMN-JTQLQIEISA-N 331.384 2.847 0 50 EFAA COc1cccc(-c2cnnc(N(C)CC[C@H]3CCCCO3)n2)c1 12386824 MRLMPJMOHMEHPX-OAHLLOKOSA-N 328.416 2.943 0 50 EFAA O=C1CC[C@@]2(CCCN(C3CCNCC3)C2)CN1Cc1ccccc1 72478164 ZGIGMDMKJFOTIT-OAQYLSRUSA-N 341.499 2.643 0 50 EFAA c1ccc(OCc2noc(COc3ccccc3-n3cnnc3)n2)cc1 72158883 NVGGPIKNDSQJIJ-UHFFFAOYSA-N 349.350 2.808 0 50 EFAA CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCCNC1=O 368985096 XHZBRHHPRRPZOK-LBPRGKRZSA-N 332.297 2.585 0 50 EFAA Cc1ncnc(N2CCC(Oc3ccccc3F)(C(=O)O)CC2)c1C 72431156 IAAXMXVNJAMNSH-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA O=C(Cc1ccc(-n2cnnc2)cc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 333365461 DSDDYORVXMITPG-GIOYIUAESA-N 336.439 2.847 0 50 EFAA CNC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)cc1 284740605 DMSGDCGHUDWBKG-NSHGMRRFSA-N 330.472 2.952 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCC(N)CC1 237737932 OEKOFGUERRVUTJ-BQYQJAHWSA-N 342.418 2.591 0 50 EFAA O=C(O)c1ccccc1-c1nccn1Cc1nc2ccccc2c(=O)[nH]1 71761964 DNLRCKISMLVFFK-UHFFFAOYSA-N 346.346 2.533 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2nccs2)CC1 377510567 JWOJWRPUVOJRKZ-UHFFFAOYSA-N 332.473 2.832 0 50 EFAA Cc1ccccc1C(C)(C)C(=O)NC[C@@H](C(=O)O)C1CCOCC1 262838751 BXZLKFURUZIUCV-OAHLLOKOSA-N 333.428 2.516 0 50 EFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCC(Cc2ccccc2)CC1 378074605 UQLIMRYSUJDFJE-KRWDZBQOSA-N 338.455 2.931 0 50 EFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2nccnc2c1 77284647 SZBBVRIKMRAAES-AWEZNQCLSA-N 327.384 2.578 0 50 EFAA Cc1cc(C(=O)NCCCN2CCOCC2)c(-c2ccccc2)o1 215724208 ZIEMYJWHBQZHSD-UHFFFAOYSA-N 328.412 2.707 0 50 EFAA CCc1nc(C)c(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)o1 77504586 LSOJYTBGSLSSFV-UHFFFAOYSA-N 342.443 2.677 0 50 EFAA O=C(c1ccc(OC2CCC2)cc1Cl)N1CC[C@@](F)(CO)C1 338737687 VIJZGLAQMQOPMU-INIZCTEOSA-N 327.783 2.818 0 50 EFAA COc1cc(F)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(F)c1 223465256 NVPLZLYTNOWOMI-JTQLQIEISA-N 327.327 2.690 0 50 EFAA O=C(O)Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 263354155 QXCZRFMMWRYHEC-JXFKEZNVSA-N 337.375 2.993 0 50 EFAA CCc1c(C)nn(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1C 223250746 SEGYRXKARNPEDO-UHFFFAOYSA-N 335.835 2.780 0 50 EFAA CO[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 177644825 YURLGLFHXDDHJO-IBGZPJMESA-N 339.439 2.550 0 50 EFAA C[C@H](Cn1cccn1)NC(=O)COc1ccc(Cl)cc1Cl 42366963 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CCN1CC2(CCC1=O)CCN(Cc1c(C)nc3ccccn13)CC2 91860333 UWBUHAMTLZMXAK-UHFFFAOYSA-N 340.471 2.867 0 50 EFAA CSCc1noc(CNC(=O)c2ccc3cccc(F)c3n2)n1 91829588 CGHYOTQRLUYVQI-UHFFFAOYSA-N 332.360 2.550 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(CN3CCCC3)cc2)C[C@@]1(O)C1CCC1 91441609 KAGFOZRJENYWEK-IERDGZPVSA-N 342.483 2.906 0 50 EFAA CCc1nc2cc(NC(=O)N[C@@H]3CN4CCC3CC4)ccc2n1CC 96180398 AILYKDPKNIQHRV-MRXNPFEDSA-N 341.459 2.834 0 50 EFAA Cc1cc([C@@H]2CCCN2C(=O)c2cnc(-c3ccncc3)nc2)on1 95392338 MDVZVLXTCJOICG-HNNXBMFYSA-N 335.367 2.812 0 50 EFAA Cc1cc(C)n(CCC(=O)N2CCC([C@H](O)c3cccs3)CC2)n1 244853038 VEDSNXGFSOVCIB-SFHVURJKSA-N 347.484 2.924 0 50 EFAA COc1ccccc1C1CCN(CC(=O)Nc2cnn(C)c2C)CC1 244873029 WIYNTKSQXOFELK-UHFFFAOYSA-N 342.443 2.555 0 50 EFAA CC(C)Cc1nc(CN(C)Cc2cc(-c3cccnc3)no2)no1 244564016 CLDQJDWONZQNEO-UHFFFAOYSA-N 327.388 2.950 0 50 EFAA C[C@@H](c1ccccn1)N1CCNCCN([C@@H](C)c2ccccn2)CC1 864097294 RSDQYMWCHDGWEB-ROUUACIJSA-N 339.487 2.506 0 50 EFAA CCCn1cnnc1[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CC1 252484410 FVOXXUONDSUTGN-CYBMUJFWSA-N 328.416 2.606 0 50 EFAA Cc1cc(C)nc(-c2cccc(C(=O)NCCCn3cccn3)c2)n1 299756074 BHAGJSIYMUDKOG-UHFFFAOYSA-N 335.411 2.777 0 50 EFAA O=C(NCc1cccnc1)N1CCC2(CC1)Cc1ccccc1C2=O 1875279367 XOZKZZJZKPGSGO-UHFFFAOYSA-N 335.407 2.812 0 50 EFAA CCCn1ncc(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1C1CC1 1875265772 NNEVTBMZPNYLQM-CJNGLKHVSA-N 333.480 2.974 0 50 EFAA CC(C)[C@@H](C(=O)O)N(Cc1ccc(Cl)cc1)Cc1cn(C)nn1 1875283196 JHDWEMPOEXRGMV-HNNXBMFYSA-N 336.823 2.580 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cc(-c3ccccn3)n[nH]2)C[C@H]1c1ccccc1 1875270615 LKEICJAHRVGEMH-DLBZAZTESA-N 348.406 2.772 0 50 EFAA CC(C)[C@@H]1C[C@H](NC(=O)Nc2cncc(-c3cc[nH]n3)c2)CCO1 1875319353 YXQPVRXWHAGFMM-CJNGLKHVSA-N 329.404 2.797 0 50 EFAA Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)co1 952848378 LRZPYAFXJCHXLC-CABCVRRESA-N 326.400 2.849 0 50 EFAA CCOC(=O)c1cnc(N[C@H](C)c2cc3n(n2)CCCC3)nc1C 952964573 ULMGYRNVCWCMOM-GFCCVEGCSA-N 329.404 2.668 0 50 EFAA CC(C)Cc1nnc2sc(CN3CCOc4ccccc4C3)nn12 71738862 HARBGHIZNDRLOR-UHFFFAOYSA-N 343.456 2.779 0 50 EFAA CC(C)Cc1nc(COc2ccc(F)c(Cl)c2)n(CCO)n1 952872217 KVEVYYVRHQVNCL-UHFFFAOYSA-N 327.787 2.840 0 50 EFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2coc(CN)n2)c1 952989252 TVHXGRPYLIYCJF-UHFFFAOYSA-N 342.399 2.823 0 50 EFAA CN(CCCOc1ccccc1Cl)C(=O)c1cnn2ccn(C)c12 952990681 WCGRAKKZMFRRSN-UHFFFAOYSA-N 346.818 2.867 0 50 EFAA CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cnc[nH]3)c2)c1 952964230 CEBHJCVTPFKJTI-UHFFFAOYSA-N 341.392 2.733 0 50 EFAA CC[C@@H](C)Sc1ncc(CNCCN=c2cc[nH]cc2C)cn1 952972430 OTXMACCLRUQCPY-CQSZACIVSA-N 331.489 2.694 0 50 EFAA CN1C(=O)C[C@@H](CN[C@H]2CCCC23CCOCC3)[C@@H]1c1ccncc1 888076463 NJLPBHSZWCGBMJ-LNLFQRSKSA-N 343.471 2.540 0 50 EFAA C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=CC2(CCOCC2)C1 1775999779 WBFXRQHWVDPMCX-OAHLLOKOSA-N 344.430 2.990 0 50 EFAA Cc1cc(C(=O)NC(C)(C)c2cnn[nH]2)nn1-c1ccccc1Cl 898149005 WYYMKXIESPKOHA-UHFFFAOYSA-N 344.806 2.617 0 50 EFAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2ncccn2)C1 1364978735 UAZSAWHRGQEUIT-DZGCQCFKSA-N 329.375 2.789 0 50 EFAA CCO[C@H](C)C(=O)Nc1n[nH]c2c1c(C)nn2Cc1ccc(F)cc1 170593070 KAIAVYAQSZXOEL-LLVKDONJSA-N 345.378 2.619 0 50 EFAA Cc1cccnc1[C@H]1CCC[C@H](Nc2ccn(CCC(N)=O)n2)C1 281148653 ASZBQTLCVBPEDY-GJZGRUSLSA-N 327.432 2.600 0 50 EFAA O=C(NCc1ccc(O)c(Br)c1)c1cnn2ccccc12 408513380 BPJTYWBISONSRG-UHFFFAOYSA-N 346.184 2.732 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N(c1ccccc1)[C@H]1CCOC1 192072081 AKCMJHFKLMGFPE-INIZCTEOSA-N 325.364 2.894 0 50 EFAA CC(C)c1[nH]ncc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 193677573 BVUMSMGBEIRJKN-CQSZACIVSA-N 346.818 2.722 0 50 EFAA COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2OC(F)F)C1 193863056 XVZJBTDKTDTVOI-WCBMZHEXSA-N 346.305 2.890 0 50 EFAA O=C(Nc1ccc2sncc2c1)N1CCC(Cn2ccnn2)CC1 194235639 GMCLFZUOPVDUCW-UHFFFAOYSA-N 342.428 2.832 0 50 EFAA CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cn1 194483808 PUXADKSMEFOGIW-DZGCQCFKSA-N 339.395 2.833 0 50 EFAA Cc1ccc(CS(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c(F)c1 194615693 GGBJYULHAJOCLT-UHFFFAOYSA-N 346.387 2.861 0 50 EFAA COCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2c(OC)cccc21 194916320 KBKVGNOBKCXIJW-JKSUJKDBSA-N 342.443 2.935 0 50 EFAA CC[C@H]1CCCCN1C(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 661662324 GANAOEOBOXFHMI-SLFFLAALSA-N 344.499 2.876 0 50 EFAA CN(C)C(=O)CCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 1506412157 AJQRSLIMLXIENR-UHFFFAOYSA-N 335.404 2.680 0 50 EFAA COc1ccc(-c2onc(N[C@@H]3CCCN(C)C3)c2C(=O)O)cc1 1704306583 PFAUIHHKYACFPQ-GFCCVEGCSA-N 331.372 2.555 0 50 EFAA COc1cc(CN2C[C@@H]3COCC[C@]3(CO)C2)ccc1OCC(C)C 1772703968 AQIRONBFAOJDAC-YLJYHZDGSA-N 349.471 2.561 0 50 EFAA O=C(c1ccccc1OCCCCN1CCOCC1)C1CCOCC1 1772814827 DDXXQIGYTSKIOT-UHFFFAOYSA-N 347.455 2.787 0 50 EFAA CC(=O)c1cccc(OCc2cc(C(=O)NCCOC(C)C)no2)c1 11816625 LQZQPXMGPJSLIP-UHFFFAOYSA-N 346.383 2.611 0 50 EFAA CCn1nc(C)c(CNc2nncc(-c3cccc(OC)c3)n2)c1C 11816762 QVGHXORSYOASQK-UHFFFAOYSA-N 338.415 2.993 0 50 EFAA O=C(NCCc1ccccn1)[C@H]1CC(Cc2cccc(Cl)c2)=NO1 12244602 HKSSKEAPMUJLIX-QGZVFWFLSA-N 343.814 2.781 0 50 EFAA C[C@@H](NC(=S)NCc1ccccc1)[C@H]1COc2ccccc2O1 12383355 GKELCBDCMZRUCB-CXAGYDPISA-N 328.437 2.879 0 50 EFAA CN(Cc1ccccn1)c1nc2nonc2nc1NCc1ccccc1 12436295 JGPLWVZCGJFQJS-UHFFFAOYSA-N 347.382 2.656 0 50 EFAA O=C(Cc1ccsc1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12463965 HPFYTEAVVIVDSE-QGZVFWFLSA-N 342.464 2.641 0 50 EFAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1C[C@@H]1CCCO1 12818332 YHMDBRFUOUAQHI-SCLBCKFNSA-N 334.375 2.980 0 50 EFAA biogenic CCN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCC1=O 14989008 PUMFGDOGIQMHRC-UHFFFAOYSA-N 332.835 2.580 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 15836406 CFNQUSFXODFFIA-OAHLLOKOSA-N 334.397 2.764 0 50 EFAA Cc1ncc2c(c1-c1noc(C3Cc4ccccc4C3)n1)CCNC2 19228578 UEIFXFHSZWLERZ-UHFFFAOYSA-N 332.407 2.968 0 50 EFAA Cc1cccc(C)c1NC(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857706013 GFXDLTCBXHGMAM-TVKQPGBESA-N 343.471 2.876 0 50 EFAA COC(=O)c1cnc(N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cn1 1875244029 JDWKNMGUQQSTPJ-SJORKVTESA-N 341.411 2.866 0 50 EFAA CCCC[C@@H]1CN(c2nc(C)c(C)cc2C(N)=O)C[C@H](C2CC2)O1 1875244220 FFGGITJTTIXPIL-NVXWUHKLSA-N 331.460 2.971 0 50 EFAA C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 112387124 XDSBHBOTJSACQM-CZUORRHYSA-N 341.386 2.991 0 50 EFAA CCc1cc(Br)cc2c1N(C(=O)c1ncn(C)n1)CCC2 425631987 QMSQKCVTORGOAI-UHFFFAOYSA-N 349.232 2.733 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 238075219 MKQLOXPWYQTWLK-AVGNSLFASA-N 338.201 2.628 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348238382 DVBKMKJGKUAIKA-BZNIZROVSA-N 343.333 2.789 0 50 EFAA CCn1cc(CCN2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cn1 375707714 YMWYMCBYSRPFBK-GOSISDBHSA-N 333.863 2.778 0 50 EFAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cncc(C(=O)O)c1 911583848 MCFMXGSKFHFXQN-INIZCTEOSA-N 339.395 2.651 0 50 EFAA O=C(c1cc(O)ncc1Br)N1CCC[C@H]1c1ccccn1 930557860 JTYVPDFAGXITSK-ZDUSSCGKSA-N 348.200 2.922 0 50 EFAA CC(C)Cn1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1=O 935068225 OWDALTPGHAOWLE-UHFFFAOYSA-N 339.439 2.919 0 50 EFAA CC[C@H](Sc1ccccc1)C(=O)N[C@@]1(CC(=O)O)CCCOC1 840943654 YAPXOMWOFHVVFQ-WMLDXEAASA-N 337.441 2.697 0 50 EFAA C[C@H](CNC(=O)c1cc(Cl)c(Cl)n1C)CC1(C)OCCO1 154359786 UJCSALYCFVBJRI-VIFPVBQESA-N 335.231 2.851 0 50 EFAA Cc1cc(C)cc(C2(C(=O)N3CC[C@@]4(CCC(=O)N4)C3)CCC2)c1 2325781750 HBGIUXCORYQHBP-IBGZPJMESA-N 326.440 2.606 0 50 EFAA CC(C)N(C)c1ccc(CN2C[C@@H](CC(=O)O)OC3(CCC3)C2)cn1 2325787322 SMMXETPKXVVYFV-MRXNPFEDSA-N 347.459 2.524 0 50 EFAA Cc1cc(CN2CCC[C@@H](n3cc(C(=O)O)nn3)C2)sc1Cl 2325787549 GTODLTZQFCBYJE-SNVBAGLBSA-N 340.836 2.837 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)[C@@H](O)C1=CCCCC1 2325820674 CMDXKVYXLGHZRC-ROUUACIJSA-N 325.412 2.602 0 50 EFAA CC[C@]1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1 119083 OWTOJWOUGVGXMP-LJQANCHMSA-N 336.395 2.604 0 50 EFAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 154043 QKXPWHLIQGFVNZ-UHFFFAOYSA-N 347.436 2.804 0 50 EFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(F)F)cc1 190534 RIICZFJCKNTNDW-GFCCVEGCSA-N 342.367 2.644 0 50 EFAA Cn1nc(CC(=O)Nc2ccc(F)cc2Cl)c2ccccc2c1=O 223673 UZVWDNPMEAHPKY-UHFFFAOYSA-N 345.761 2.907 0 50 EFAA COc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1 309360 CXXGHMBTHPXZCG-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA COC(=O)c1[nH]c(C(=O)OC)c(CC(F)(F)F)c1CC(F)(F)F 2519545 IBADBUJZSCSEPJ-UHFFFAOYSA-N 347.211 2.798 0 50 EFAA CCCN1CCC[C@@]2(CCCN2C(=O)C2Cc3ccccc3C2)C1=O 2356165190 XVJKFEDTUMQZMU-OAQYLSRUSA-N 340.467 2.795 0 50 EFAA CN(Cc1ccccc1)[C@@]1(O)C(=O)Nc2c(C(F)(F)F)cccc21 4843103 ILAXXEBMOVOVQF-INIZCTEOSA-N 336.313 2.935 0 50 EFAA Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1 6727154 DFZWJVXIRNAOIK-UHFFFAOYSA-N 325.397 2.608 0 50 EFAA CC(=O)Nc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 100749538 CMYCDCFDTSVKFZ-CHPZLBCBSA-N 330.771 2.610 0 50 EFAA Cc1cccc(Cn2ncc(C)c2NC(=O)CCc2cc(O)no2)c1 55107865 MBXZMYAKEFBOGX-UHFFFAOYSA-N 340.383 2.813 0 50 EFAA O=C1/C(=C\N2CCOCC2)c2ccccc2C(=O)N1c1ccccc1 105898095 PWLOGFBQTGISQD-JXAWBTAJSA-N 334.375 2.547 0 50 EFAA NC(=O)c1ccc(NC(=O)CCN[C@@H]2CCCc3ccccc32)cc1 65408089 XJZJXAFECJIQTJ-GOSISDBHSA-N 337.423 2.781 0 50 EFAA CC(=O)Nc1cccc(C(=O)N2CCCC3(CCN(C)CC3)CC2)c1 67741833 TXPKMIVWXIBWRH-UHFFFAOYSA-N 343.471 2.983 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2cnn(C(C)C)c2)C1 229858629 PPNZCJLYGUFVNG-BWFKNJDFSA-N 326.466 2.665 0 50 EFAA O=C1C[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CN1 331521057 KHXCLILGUBSQOU-UBHSHLNASA-N 340.345 2.594 0 50 EFAA O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](Nc2ccccc2)C1 12434519 COCCVXGOGDEHQU-MRXNPFEDSA-N 335.411 2.534 0 50 EFAA CC[C@@H](C)c1cc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)on1 328608820 BJLYZCCVRYCPBT-BXUZGUMPSA-N 348.403 2.908 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(CN2CCC3(CC2)CNC(=O)C3)c1 65403908 RAJRFZZCILXSGV-UHFFFAOYSA-N 338.455 2.591 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCc2[nH]nnc2C1 253405300 KHKBJVJSKKGCTQ-ABAIWWIYSA-N 328.416 2.641 0 50 EFAA COc1ccc([C@@H](OC)[C@H](C)Nc2ncnc3nc(N)ccc23)cc1 357275536 SCGGGNIYXUTTMK-ZBEGNZNMSA-N 339.399 2.804 0 50 EFAA CCCn1c(C)nnc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328631138 KCMCEYXPCHBNFJ-HKUYNNGSSA-N 342.491 2.516 0 50 EFAA C[C@@H]1CCC[C@H](CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)C1 328627771 NCGYLIHGKPHGDW-CABCVRRESA-N 339.505 2.807 0 50 EFAA O=C(NC[C@H]1CCc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 153458051 AOVMFIUXTPMKLD-SJLPKXTDSA-N 337.423 2.974 0 50 EFAA Fc1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)cc1 39389239 JREJWUROXVHTCB-UHFFFAOYSA-N 347.419 2.890 0 50 EFAA Cc1nc2ccccc2nc1N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 284571978 NCKGQZQLUTUZBJ-POZUXBRTSA-N 327.428 2.695 0 50 EFAA O=C(/C=C/c1ccc[nH]1)N1CCC[C@H](Cc2nnc3ccccn23)C1 364841403 HAFKBZYLCZLFOE-XVJNWHFHSA-N 335.411 2.552 0 50 EFAA O=C([C@@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1)N1CCCC1 71747317 HWACAVZHRNYMNB-QGZVFWFLSA-N 345.487 2.578 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCOC2(CCOCC2)CC1 366109167 OZDOURMSKWZUAQ-DLBZAZTESA-N 348.418 2.663 0 50 EFAA N[C@@H](CCC(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 156786978 OIEYTAWUUQEMIJ-IBGZPJMESA-N 346.471 2.653 0 50 EFAA CC[C@](CNC(=O)c1cc(Cl)cn1C)(C(=O)O)c1ccccc1 262930572 GJWXPQHSPPVOND-QGZVFWFLSA-N 334.803 2.841 0 50 EFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)C3)c(C)o2)c(C)c1C 71776383 URDXBRABOFNLJN-UHFFFAOYSA-N 343.427 2.549 0 50 EFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]([C@H](C)N)C2)c(OC)c1 237095031 GYLGULKUFJINOA-CQPIPWFBSA-N 332.444 2.693 0 50 EFAA NC(=O)c1cc(N2CCC[C@H](OCc3ccccc3F)C2)ccn1 373679143 DXSVIIOTWASKAE-HNNXBMFYSA-N 329.375 2.505 0 50 EFAA COc1ccccc1-c1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1 218967592 GETCJGBUOZADEO-IEBWSBKVSA-N 341.407 2.896 0 50 EFAA C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)C1CCOCC1 157841368 HKQYUCCRVIDBJN-MRXNPFEDSA-N 330.472 2.830 0 50 EFAA CC1(C)CC(NC(=O)Nc2cnn(CC(F)F)c2)CC(C)(C)N1 174850913 OLRRPHPKGWZIHM-UHFFFAOYSA-N 329.395 2.579 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@@H](C)CO1 237707213 POEBQOAUTYLQDZ-LRDDRELGSA-N 329.352 2.888 0 50 EFAA CC1(C)CN(C2(CNC(=O)Cc3ccco3)CCCCC2)CCO1 378162401 RVEMTXMKLDKPQS-UHFFFAOYSA-N 334.460 2.752 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)n1 263484740 VHICHXHSXHYBJF-NVXWUHKLSA-N 343.427 2.605 0 50 EFAA COc1cc(C)c([C@H](C)NC(=O)c2cc(C(=O)O)ccn2)cc1OC 263413860 NHPNHDWXAMGPCI-NSHDSACASA-N 344.367 2.596 0 50 EFAA CCCCN1C[C@@]2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O 77406994 IBNUWTKDTUMKKP-HXUWFJFHSA-N 342.487 2.974 0 50 EFAA O=C(c1cc(O)cc(O)c1)N1CCCN(c2ccc(F)cc2)CC1 133948670 QLQDCMBJKGMABK-UHFFFAOYSA-N 330.359 2.589 0 50 EFAA CN(C)C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 241588074 OZJLUGKNQXZWCU-LVQVYYBASA-N 337.851 2.562 0 50 EFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1COc2ccccc2C1 82083369 UZZHYKKXBSCARX-MRXNPFEDSA-N 349.390 2.946 0 50 EFAA O=C(CCCn1cncn1)N1CCCC[C@H]1CCc1ccc(O)cc1 82097606 QOQYRPGCJPIQOQ-KRWDZBQOSA-N 342.443 2.778 0 50 EFAA COc1ccc(CCC(=O)N2C[C@H](C(=O)O)c3ccccc32)cc1 177477704 RJWNUIJIMUMUBZ-INIZCTEOSA-N 325.364 2.843 0 50 EFAA CSc1nccc(N[C@@H]2CCCCN(C(=O)N3CCCC3)C2)n1 82133897 NTXYVOJNEPENIG-CYBMUJFWSA-N 335.477 2.681 0 50 EFAA O=C(O)C1(NC(=O)[C@]2(c3ccccc3)CC23CCCC3)CCOCC1 426545235 XHINQXLCDDRJLF-HXUWFJFHSA-N 343.423 2.639 0 50 EFAA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1cc(-c2cccn2C)n[nH]1 91526348 HUWDEZSXAAMXEY-CQSZACIVSA-N 337.427 2.822 0 50 EFAA c1cnc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)cn1 95530922 ICGMFVZNCJVEIK-ZDUSSCGKSA-N 326.429 2.562 0 50 EFAA CN1CCC[C@@H](CCc2nc(-c3ccc(Cl)cc3)nn2CCO)C1 96139907 IHZGRQTUGVCIGM-AWEZNQCLSA-N 348.878 2.865 0 50 EFAA CCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)CC2 239637126 BIZLPEILTGXKRV-GRYCIOLGSA-N 344.381 2.640 0 50 EFAA Cc1cccc(CC2(NC(=O)C[C@@H]3CN(C(C)C)CCO3)CC2)c1 97681690 QSJZALHMYDZQHC-GOSISDBHSA-N 330.472 2.686 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@H](c4nccn4C)C3)cc2nc1C 95497611 NXJUBIQJQHGEKU-INIZCTEOSA-N 349.438 3.000 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1 95513024 XEIMKXUNGIEGPZ-GFCCVEGCSA-N 348.424 2.568 0 50 EFAA O=C([C@H]1COc2ccccc2C1)N1CCC(Oc2cccnc2)CC1 95504720 MXAGXYKSYCEYAK-MRXNPFEDSA-N 338.407 2.703 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1CCCO[C@@H](Cn2cccn2)C1 91270529 BMRODGKQTDPODO-CQSZACIVSA-N 348.472 2.703 0 50 EFAA O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@@H]1c1cccnc1 91645079 HYKDZTFOWYDERV-GOSISDBHSA-N 348.406 2.545 0 50 EFAA C[C@@H]1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)CC[C@]1(C)O 91519215 OOWLSDWWFIHZDN-UTKZUKDTSA-N 344.499 2.908 0 50 EFAA CCN(CCNc1cc([C@H]2C[C@@H](N)C2)nc(N)n1)c1cccc(C)c1 243893747 ATQRFSINUBTNDG-GASCZTMLSA-N 340.475 2.510 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 244605576 FBDHCIPTJCJXPJ-YESZJQIVSA-N 347.455 2.864 0 50 EFAA COc1ccc([C@@H](NC(=O)Cc2ccccc2C)[C@H]2C[C@@H](O)C2)cn1 244874826 XHUNAPIYMXINRI-FUHIMQAGSA-N 340.423 2.570 0 50 EFAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccnc2-n2cncn2)C1 184687693 XSIFWTIFSDJKOQ-CJNGLKHVSA-N 349.398 2.672 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 269194082 PGURDESJVAMVMZ-OAHLLOKOSA-N 343.354 2.951 0 50 EFAA CC(C)NC(=O)c1cccc(NC(=O)NCCCc2ccccn2)c1 299781201 RBWRMNKYGBNMLA-UHFFFAOYSA-N 340.427 2.974 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1n[nH]c2c1CCCCC2 828031983 CKFNIQDJLBROKQ-UHFFFAOYSA-N 341.459 2.530 0 50 EFAA CCc1nc(CN2CCN(c3ncnc(CC)c3F)CC2)cs1 270576058 QOFUTUKQCJBEAP-UHFFFAOYSA-N 335.452 2.519 0 50 EFAA O=S(=O)(NCc1ccc(-n2ccnc2)c(F)c1)C1[C@H]2CCCC[C@H]12 1875289673 IHBDLELJBNHWRG-KBPBESRZSA-N 349.431 2.619 0 50 EFAA Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)sn1 1875272105 CSKPDLLLVFEPDL-JTQLQIEISA-N 338.458 2.691 0 50 EFAA CC1(NS(=O)(=O)c2cncc(C(F)(F)F)c2)CC(F)(F)C1 1875290680 WQQGTIQVXGPPTJ-UHFFFAOYSA-N 330.278 2.567 0 50 EFAA COc1cc(C[S@](=O)Cc2c(C)cc(C)cc2C)nc(OC)n1 1875304910 YZBQYPKXWHUENE-QHCPKHFHSA-N 334.441 2.868 0 50 EFAA Cc1ccc(-c2nnc(Cn3cc([C@H](O)c4ccccc4)nn3)o2)cc1 880994031 WXPNHEGHPYKOIX-GOSISDBHSA-N 347.378 2.767 0 50 EFAA CCn1nc(C)c(CC(=O)N2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c1C 886084828 KHACUSLWAIURQN-WFASDCNBSA-N 345.447 2.548 0 50 EFAA COc1ccnc(CN2CCN(C(=O)[C@H](C)C3CCCC3)CC2)c1 957281319 RTQMZHJUHGAXKU-OAHLLOKOSA-N 331.460 2.561 0 50 EFAA NC(=O)c1c(F)cccc1N1CC[C@]2(CCc3ccccc3O2)C1 893908752 SKQCCCWGUOLPDR-LJQANCHMSA-N 326.371 2.899 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(-c2cc[nH]n2)s1 889013378 PDGYUAOHAHQVRD-YPMHNXCESA-N 327.413 2.858 0 50 EFAA O=C([C@@H]1CCc2cccc(O)c21)N1CCC[C@H](NCC(F)(F)F)C1 1775994184 XHKKEFVZHPPBSD-QWHCGFSZSA-N 342.361 2.565 0 50 EFAA O=C(NCc1cccc2nsnc12)N1CCCC[C@@H]1c1ncc[nH]1 1775992439 SLIJOHFODFZHAC-CYBMUJFWSA-N 342.428 2.851 0 50 EFAA O=C(NC[C@]1(c2ccccc2)C[C@H](O)C1)Nc1ccc2n[nH]cc2c1 1776007016 KONZWQMDYQJAJM-RUCARUNLSA-N 336.395 2.777 0 50 EFAA Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1 275358412 LAABVTCYLRFDSB-WMZOPIPTSA-N 327.428 2.773 0 50 EFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccccc1Cl 276659262 MKJUPZDWVNETIY-SUMWQHHRSA-N 333.819 2.510 0 50 EFAA Cn1ncc2c(N)nc(N3CC[C@@H](CSc4ccccc4)C3)nc21 277510927 ADSDRYGQQYCZFZ-GFCCVEGCSA-N 340.456 2.564 0 50 EFAA CC(C)n1nnnc1SCC1CCN(C(=O)OC(C)(C)C)CC1 170610704 MFAFBLUVPFEHCS-UHFFFAOYSA-N 341.481 2.993 0 50 EFAA O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cccc2ncccc12 170602284 CEPSZRJHVCSLMX-UHFFFAOYSA-N 342.336 2.679 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 186649964 GNRWEZFSPAIIOI-GOSISDBHSA-N 340.423 2.851 0 50 EFAA CC(C)c1nc(C(=O)N2CCCc3c(C(N)=O)cccc32)cs1 171433522 ZHDWKCWWEPFXBK-UHFFFAOYSA-N 329.425 2.958 0 50 EFAA CCn1cc(C(=O)Nc2cc(C)cnc2OC)c(C(F)(F)F)n1 281054223 XSCXBDXWIACLHW-UHFFFAOYSA-N 328.294 2.886 0 50 EFAA CCc1nc2cc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)ccc2o1 186975138 JMTPPRSRQYNHKT-GFCCVEGCSA-N 348.424 2.544 0 50 EFAA COc1ccc(-c2noc(CCc3nc(-c4ccccn4)no3)n2)cc1 109497575 PLNKTVIOKZIKJI-UHFFFAOYSA-N 349.350 2.975 0 50 EFAA CN(C)c1noc(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)n1 412012198 WWYGGXRSKBGZQX-KRWDZBQOSA-N 344.459 2.909 0 50 EFAA Cc1cc(NC(=O)Cc2c(C)n[nH]c2C)cnc1N1CCCCC1 225545346 AZUFJTHVGCHYPU-UHFFFAOYSA-N 327.432 2.901 0 50 EFAA Cc1nc(N2CCN(Cc3cscn3)CC2)nc2ccccc12 641306376 KMEKIMCUWWVULH-UHFFFAOYSA-N 325.441 2.717 0 50 EFAA O=C(NCCN1CCc2ccccc2C1=O)c1ccc(Cl)s1 190162689 TVOZIZIBDBEABO-UHFFFAOYSA-N 334.828 2.830 0 50 EFAA Cc1c(F)cccc1S(=O)(=O)N[C@@H](CC(=O)O)c1cccs1 681556395 ADICFAXCSSPTIG-NSHDSACASA-N 343.401 2.690 0 50 EFAA Clc1sc(CNCCCn2ccnn2)cc1Br 191696170 QTDJLFYWIWPVML-UHFFFAOYSA-N 335.658 2.935 0 50 EFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1snnc1C(C)(C)C 191951070 ICUOZGPDYYVJIX-LLVKDONJSA-N 347.440 2.748 0 50 EFAA COc1cccc2c1CCN(C(=O)[C@H](C)c1c(C)n[nH]c1C)CC2 192597039 FSOQEZBMQORHLY-GFCCVEGCSA-N 327.428 2.766 0 50 EFAA COc1cccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)c1F 192961253 YMRMUWLBQCUUHS-YOEHRIQHSA-N 333.407 2.513 0 50 EFAA O=C(C[C@H]1CCCOC1)Nc1nc2ccccc2nc1N1CCCC1 193472886 GJNKTZHTSJOKJL-CQSZACIVSA-N 340.427 2.985 0 50 EFAA C[C@@H]1CCCc2ncc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)n21 649977112 YFDIDPMDZJGHJY-CHWSQXEVSA-N 343.431 2.660 0 50 EFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2ccccc2)cn1 194446973 JFDLQXGZPKKCIM-CYBMUJFWSA-N 330.409 2.512 0 50 EFAA CC(C)N(CC1CCC1)C(=O)c1ccc(=O)n(-c2ccccc2)n1 195136824 OWKSIETYQUYUFN-UHFFFAOYSA-N 325.412 2.883 0 50 EFAA CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc3c(O)nccc23)C1 653958383 FBTDYJLKVJAOOW-ZDUSSCGKSA-N 341.411 2.918 0 50 EFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1Cc2ccccc21 744017186 UABBWZPLSWBTGP-GOSISDBHSA-N 341.432 2.710 0 50 EFAA CC(C)C1=NO[C@@H](C(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 1506398342 BXNGBPGRBFIOPE-CQSZACIVSA-N 334.420 2.700 0 50 EFAA CSc1nc(N)cc(N[C@H](C)CN2CCc3ccccc3C2)n1 1529158850 OCZUGBJLQLSYQS-GFCCVEGCSA-N 329.473 2.639 0 50 EFAA Cc1nc[nH]c1CN(CCO)Cc1cc(CN2CCCCC2)cs1 1772704544 NSBDIIUZTDLHCQ-UHFFFAOYSA-N 348.516 2.760 0 50 EFAA CCOc1ccc(C(=O)N2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1Cl 1772710624 QOSYWAQLTLTEQT-WCQYABFASA-N 336.819 2.574 0 50 EFAA CC(=O)c1cccc(OCc2cc(C(=O)NC3CCCC3)n[nH]2)c1 12446938 UEBCIFVJUJKLJA-UHFFFAOYSA-N 327.384 2.864 0 50 EFAA Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 14990569 DZXLNCGQMKUYNH-SOGBHIHOSA-N 331.441 2.898 0 50 EFAA CN(C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 15061895 OWRUKVOHGJXBFG-HXUWFJFHSA-N 348.462 2.944 0 50 EFAA CC(C)c1n[nH]c2c1CN(c1nc(N(C)C)nc3c1CCCC3)CC2 19607210 ZEZUBEIEMROPOC-UHFFFAOYSA-N 340.475 2.831 0 50 EFAA O=C1C[C@H]2N(Cc3ccccc3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857668523 FFHJOTXUQYVPFU-SBHAEUEKSA-N 334.419 2.961 0 50 EFAA Cc1cc2cc(C(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)ccc2o1 1857685716 QTLJDGOXPYKBMR-HNNXBMFYSA-N 343.379 2.695 0 50 EFAA Cc1sc2ccccc2c1CN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857688492 MTSOTAMHVUBTOU-IEBWSBKVSA-N 344.480 2.673 0 50 EFAA CCOC(=O)[C@@H](C)N(C)C(=O)Cc1cccc(OCC(F)(F)F)c1 408513581 FAFZVZBVUNVBNQ-LLVKDONJSA-N 347.333 2.580 0 50 EFAA Cc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 331911285 LXSSYHHYUOGNAR-YOEHRIQHSA-N 332.350 2.545 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 237950269 ITVWWSHNJPCYLU-LBPRGKRZSA-N 325.792 2.822 0 50 EFAA O=C(O)C1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 238024116 IMUDFJCONOJTMH-UHFFFAOYSA-N 336.438 2.737 0 50 EFAA CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 248265796 XVHDFSJZZVYUOO-VHRBIJSZSA-N 342.361 2.840 0 50 EFAA O=C(c1ccc(C(F)(F)F)cn1)N1CCCC[C@@H]1c1nc[nH]n1 348884255 DQJJZIJBTJWUNL-LLVKDONJSA-N 325.294 2.586 0 50 EFAA C[C@@H](C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)n1cncn1 369285826 RRMQFNZSUONJPQ-NWDGAFQWSA-N 336.798 2.865 0 50 EFAA CC(C)Oc1cc(CNC(=O)c2ncoc2[C@H]2CCCO2)ccn1 157334421 QKNGBIOEOVRDLB-CYBMUJFWSA-N 331.372 2.638 0 50 EFAA COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)[C@@H](C)CSC 161709681 XCFSSYKVURGUQG-SDBXPKJASA-N 349.374 2.776 0 50 EFAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 902013466 BNYUKTOPZOFVJI-GOEBONIOSA-N 339.395 2.951 0 50 EFAA O=S(=O)(Nc1ccnn1[C@H]1CCOC1)c1cccc(C(F)F)c1 903667151 YNWFDTHZCITTLI-NSHDSACASA-N 343.355 2.583 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccsc3)C1)CC2 1704306959 ZGRSPVGRPQXISU-GOSISDBHSA-N 327.453 2.896 0 50 EFAA CN(Cc1ccns1)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 912337455 FKKUWRWFIBJPPF-GFCCVEGCSA-N 330.331 2.854 0 50 EFAA O=C(OCCCOc1ccc(F)cc1)c1n[nH]cc1Br 2325744763 YZIYRFQKHMBZLT-UHFFFAOYSA-N 343.152 2.937 0 50 EFAA O=C(O)[C@@H]1C[C@H]1C1CN(Cc2ccc(OCC(F)(F)F)cc2)C1 2325792768 LCJNOTUSNJEQEV-UONOGXRCSA-N 329.318 2.780 0 50 EFAA NCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 2325795894 CYHUOZBXJWZVBC-GXTWGEPZSA-N 332.835 2.978 0 50 EFAA CCOC(=O)c1cnn2c(-c3cnn(-c4ccncc4)c3)cccc12 2325825270 KLMNRFJFOMCCLA-UHFFFAOYSA-N 333.351 2.759 0 50 EFAA Cn1cc(C(=O)N=c2[nH]n(C)c3ccccc23)c(-c2cccc(F)c2)n1 2325872066 GRNPELBVVSEFKG-UHFFFAOYSA-N 349.369 2.787 0 50 EFAA CCOC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 55716 YSXGTWQHCFHNGJ-MRXNPFEDSA-N 327.336 2.642 0 50 EFAA aggregator O=C(Cc1ccccc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 269955 LIXCGTOGASQPEM-INIZCTEOSA-N 349.312 2.512 0 50 EFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1 466603 CRHHNGOLFMMSTJ-UHFFFAOYSA-N 327.311 2.808 0 50 EFAA COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1059117 MRWLGAZAGZAXAA-LBPRGKRZSA-N 325.320 2.676 0 50 EFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356161472 WWBSCJQSTSYGCP-ZSGPHXLJSA-N 346.446 2.871 0 50 EFAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4122168 RIDRAXLVGKRJCK-QGZVFWFLSA-N 340.379 2.713 0 50 EFAA Cc1nnc2sc(-c3ccccc3I)nn12 4857395 KKYISEOTQDPSEN-UHFFFAOYSA-N 342.165 2.766 0 50 EFAA Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1C(C)C 6731197 DERWCOBNPRDCIB-UHFFFAOYSA-N 325.825 2.947 0 50 EFAA NC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 9578135 FVEHULRBNPMURJ-UHFFFAOYSA-N 340.448 2.851 0 50 EFAA CC[C@@H]1CN(CCn2cccn2)CCN1CCO[C@H]1CCCC[C@@H]1C 247995266 AXRNKNGGPIADHV-ZCNNSNEGSA-N 348.535 2.875 0 50 EFAA C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 248999412 NTEJDCOVHSLUQD-QILLFSRXSA-N 340.423 2.926 0 50 EFAA CC(C)Nc1ncc(C(=O)N(Cc2ccccc2)C[C@H](C)CO)cn1 55368911 CDXJTCCOOQZQFA-HNNXBMFYSA-N 342.443 2.568 0 50 EFAA CCc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)o1 67712807 KOEPKQFPXCLAAQ-DLBZAZTESA-N 329.396 2.921 0 50 EFAA CCn1c(CN2CCc3cc(OC)c(OC)cc3C2)n[nH]c1=S 23634318 QFNTWQYTYGCKLX-UHFFFAOYSA-N 334.445 2.536 0 50 EFAA COc1cc([C@@H]2CC(=O)Nc3c2cnn3C)c(OC)cc1SC 65386401 XSHCLGICWBCRKH-VIFPVBQESA-N 333.413 2.633 0 50 EFAA CC(=O)Nc1ccccc1NC(=O)CN(Cc1ccncc1)C1CC1 65421904 BDCGLVPRAIVKHP-UHFFFAOYSA-N 338.411 2.643 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2ccccc12 72453793 ZVQRPIAWQLCDSG-UHFFFAOYSA-N 331.379 2.792 0 50 EFAA OC[C@H](Cc1c[nH]c2ccccc12)Nc1ncncc1Br 351961973 MNWYMICYTFYAEV-NSHDSACASA-N 347.216 2.736 0 50 EFAA Cc1ccc(-c2ccccc2CN2CC[C@@H](CNS(C)(=O)=O)C2)o1 67724796 ORCMHWHCYKFOLX-HNNXBMFYSA-N 348.468 2.626 0 50 EFAA C[C@H]1CN(Cc2ccc(OCCCn3ccnc3)cc2)CCCO1 215422098 HARVWTBMMASPPH-KRWDZBQOSA-N 329.444 2.963 0 50 EFAA O=C1CCc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)ccc2N1 253395356 DDJBKWGHSHEUDG-CGTJXYLNSA-N 342.439 2.727 0 50 EFAA CCc1cnc(CCNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)s1 154092138 LEGZSRRGJSEVCS-UKRRQHHQSA-N 347.488 2.737 0 50 EFAA COC(=O)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 5880131 BKPMNWZVSJHOBA-UHFFFAOYSA-N 345.376 2.674 0 50 EFAA Cc1cc2c(N3CCN(CCC4CCOCC4)CC3)ncnc2s1 432792944 NNDLPXPAFDNTQK-UHFFFAOYSA-N 346.500 2.938 0 50 EFAA COc1cccc(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1 71708044 IWMAJHVGUZSTAW-MRXNPFEDSA-N 331.416 2.645 0 50 EFAA CCOC(=O)C[C@H]1CCCN1C(=O)c1ccc2nc(S)oc2c1 125071511 WQNRRJLDJOADGQ-LLVKDONJSA-N 334.397 2.674 0 50 EFAA CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21 215961773 QDIYOEYPJWXMRN-CQSZACIVSA-N 329.400 2.725 0 50 EFAA Cc1nc([C@H]2CCCN(c3noc(-c4ccccc4)n3)C2)cc(=O)[nH]1 77505002 WWVWTHOCGWTMCZ-AWEZNQCLSA-N 337.383 2.512 0 50 EFAA O=c1[nH]nc(C2CCN(C3CCCC3)CC2)n1Cc1ccccc1 71763059 HAVFOJQFTQVXDK-UHFFFAOYSA-N 326.444 2.742 0 50 EFAA CC[C@](NC(=O)[C@H](C)c1c(C)nn(C)c1C)(C(=O)O)c1ccccc1 262501258 ZEFREEOHVDCWGA-CWTRNNRKSA-N 343.427 2.647 0 50 EFAA O[C@@]1(c2ccc(F)cc2)CCN(Cc2c[nH]nc2-c2cccnc2)C1 378513978 AQMKOXMVEJNUOI-IBGZPJMESA-N 338.386 2.704 0 50 EFAA CC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1 72435587 GWNMLKISZJMQEL-UHFFFAOYSA-N 337.427 2.885 0 50 EFAA COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)ccc1OCC=C(C)C 216966786 YZDCQNAMJFROKY-HWWDLCQESA-N 331.412 2.803 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 237965654 FRPVPMNDCUBEMC-SZTZYQKNSA-N 329.396 2.738 0 50 EFAA Cn1c(CN2CCN(CC3CC3)[C@H](CCO)C2)cc2cc(F)ccc21 216031480 HCBLPAARALVTAV-GOSISDBHSA-N 345.462 2.596 0 50 EFAA CCc1ccc(NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)cc1Cl 287779141 OFMPOZWNOZACPH-SFHVURJKSA-N 348.830 2.762 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1N1CCCC1 82109634 WIMQTBOCJKOURL-SFHVURJKSA-N 343.471 2.760 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCCc3nnc(C)s3)cc2)n1 291375228 ZMXIWUJHKSBHMR-UHFFFAOYSA-N 341.440 2.622 0 50 EFAA CCc1c(C)cc(C(=O)N[C@H](C)c2c(C)nn(CC)c2C)c(=O)n1C 426425221 KXJYMWSTDFYHKZ-GFCCVEGCSA-N 344.459 2.580 0 50 EFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc(C)n1 91769969 ONZKYAFQTKCMRP-FUHWJXTLSA-N 342.487 2.965 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(-c2cncnc2)cc1 426427866 ABMGUWPAXZOGLA-UHFFFAOYSA-N 333.395 2.628 0 50 EFAA CNC(=O)C1(NC(=O)NCc2c(F)cccc2Cl)CCCCC1 426549235 ZISDATNTYPLSEQ-UHFFFAOYSA-N 341.814 2.727 0 50 EFAA CCCOC[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)C1 92028068 XFCMUFOHHJUJBT-CQSZACIVSA-N 343.427 2.974 0 50 EFAA COCC(=O)Nc1cccc(NC(=O)NCCC[C@H]2CCOC2)c1C 96150681 MJEZSRLZRRMZGM-AWEZNQCLSA-N 349.431 2.518 0 50 EFAA O=C(c1ccc(F)cc1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91625459 FUHLMWORKUJHIY-LJQANCHMSA-N 330.403 2.690 0 50 EFAA CC1(C)C[C@H](NC(=O)Nc2ccc(-n3cccn3)nc2)C(C)(C)O1 181578006 VNPJOEDLHQSOGD-ZDUSSCGKSA-N 329.404 2.735 0 50 EFAA O=C(NC1CCC1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 92078288 GEFMMOLQUVYUDP-AWEZNQCLSA-N 334.847 2.790 0 50 EFAA Cc1cc(CC(=O)N2CCC(c3nccn3CC3CCC3)CC2)on1 91950553 STZGNXCKMFAQDX-UHFFFAOYSA-N 342.443 2.928 0 50 EFAA Cc1nccn1CC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 297020422 IDFZNMOTPIWQSK-ZDUSSCGKSA-N 348.472 2.546 0 50 EFAA O=C(Nc1nnc(C2CCOCC2)s1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 297329341 IXEICZQDBRDAIQ-XDQVBPFNSA-N 346.456 2.718 0 50 EFAA CN(CC(=O)NCc1cccs1)Cc1nc2ccc(F)cc2[nH]1 252499163 RWJNGUQBAUZGQU-UHFFFAOYSA-N 332.404 2.512 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 254095516 AYEXSTRNLGYBSQ-ZOILLALWSA-N 348.483 2.889 0 50 EFAA CC(C)C[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)n1cccc1 263587587 ISUPCLSSDJCVCP-LJQANCHMSA-N 340.471 2.815 0 50 EFAA CC(C)Cn1cncc1CNC(=O)N(C)C[C@H]1Cc2ccccc2O1 534639238 BFAYPKXIIGLDNC-QGZVFWFLSA-N 342.443 2.684 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)N)cnn1-c1ccc(F)cc1 269187013 MDOWGELZMMYKSC-SJKOYZFVSA-N 330.407 2.662 0 50 EFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1ccccc1C)CC2 299796468 NLEIUYXIPNYWOQ-ZIFCJYIRSA-N 333.428 2.608 0 50 EFAA O=C(O)C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O 299794812 JZMYGEHKIYQYNK-LJQANCHMSA-N 329.396 2.738 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc1F 299784594 HHGQMDSKODUUFF-RPVQJOFSSA-N 337.391 2.633 0 50 EFAA O=C(Cc1cccnc1)NC[C@@H]1CCCN(Cc2ccsc2)C1 827854369 NZKZYIOQCQGGIA-INIZCTEOSA-N 329.469 2.714 0 50 EFAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)Cn1cccn1 828072091 WCZFATQEHASLCB-CQSZACIVSA-N 326.400 2.536 0 50 EFAA CN(C)CC(=O)Nc1ccc(NC(=O)c2cnc3ccccc3c2)cc1 823676141 JFWFBTYUVULFRI-UHFFFAOYSA-N 348.406 2.987 0 50 EFAA CCCN1C[C@H](NC(=O)Cc2coc3cc(C)cc(C)c23)CC1=O 822919226 UHLOHGAMVFOSHB-OAHLLOKOSA-N 328.412 2.719 0 50 EFAA CCc1ccc(Cn2ncnc2[C@H]2CC(=O)N(CC(C)C)C2)cc1 823517670 ZESMMARLQAUWJD-KRWDZBQOSA-N 326.444 2.861 0 50 EFAA COCCc1nc([C@@H]2CC=CCC2)n(-c2ccc(C(=O)O)cc2)n1 670461328 FGKBWEWPIHNSKX-CYBMUJFWSA-N 327.384 2.978 0 50 EFAA COCc1nc([C@H]2CN(c3ccnc(C)c3Cl)C[C@@H]2C2CC2)n[nH]1 952851382 ZNLDHPIXDTWURP-OLZOCXBDSA-N 347.850 2.938 0 50 EFAA C[C@H](N)[C@H](CCc1ccccc1)NC(=O)c1ccnn1CC1CCC1 1875287757 YGTYHNQZEDUXBR-YJBOKZPZSA-N 340.471 2.762 0 50 EFAA CCn1cc([C@@H](C)NC(=O)NC(C)(C)CC(=O)OC(C)(C)C)cn1 1875275329 YBETWVZVYZKLIY-GFCCVEGCSA-N 338.452 2.774 0 50 EFAA CCN(c1cccc(OC)c1)S(=O)(=O)Cc1ccc2nonc2c1 1875289600 CNLDMPHRVQBJKN-UHFFFAOYSA-N 347.396 2.588 0 50 EFAA CCN(C(=O)c1cc(C2CCOCC2)nn1C)c1cccnc1C 1875276023 DJSYTLZETJYLBS-UHFFFAOYSA-N 328.416 2.684 0 50 EFAA Cn1ncc(C(=O)Nc2ccc3c(c2)C[C@@H](O)C3)c1Cc1ccccc1 1875265472 KADHLSDNSVDSJV-SFHVURJKSA-N 347.418 2.723 0 50 EFAA O=C(CS(=O)(=O)C1CC1)N1CCCCC[C@H]1Cc1cccs1 1875265582 IHWFHWLUZJUOPP-ZDUSSCGKSA-N 341.498 2.639 0 50 EFAA COC(=O)/C=C/CCNC(=O)[C@@H](Oc1ccc(F)cc1F)C(C)C 1875311485 AQXOSDWXADVNNL-NBUZRDOWSA-N 341.354 2.604 0 50 EFAA COCCn1nc2c(c1C(=O)N1CCCCCC1)C[C@H](C)O[C@@H]2C 1875314585 HHIGBPRTCYDBQI-UONOGXRCSA-N 335.448 2.568 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)cc1 1875373435 ARBUEDRRQFBQSJ-MAUKXSAKSA-N 343.471 2.638 0 50 EFAA Cc1ccc(Oc2ccccc2CNC(=O)C[C@H]2CCNC2=O)cc1 878755053 ANTGKRPPSMBNFL-OAHLLOKOSA-N 338.407 2.930 0 50 EFAA Cc1cccn2c(CC(=O)Nc3ccc4nc([C@@H](C)O)[nH]c4c3)cnc12 952975631 WSCTWYFUPFHJAD-GFCCVEGCSA-N 349.394 2.754 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCOc2ccc(C)c(C)c2)C1 888077693 PTCGGBKOWNYBAA-IAGOWNOFSA-N 343.427 2.784 0 50 EFAA Cc1cnn(C[C@@H](C)NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 888094005 UXXUROIGMMQVIG-CVEARBPZSA-N 334.464 2.713 0 50 EFAA O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1CC[C@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 973716776 NQZGIYWYULLEQQ-QTMHVTGLSA-N 342.483 2.982 0 50 EFAA C[C@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@]1(O)C1CC1 1565525392 RMTKSKLQBKNVNN-MEDUHNTESA-N 327.346 2.867 0 50 EFAA O=C(NCCc1ccccc1Br)N[C@@H]1C[C@@H]2CC[C@H]1O2 1364262201 GNMUKACYMBRGDE-IACUBPJLSA-N 339.233 2.611 0 50 EFAA CC[C@@H](CNC(=O)c1ccnc2[nH]cnc12)NC/C=C/c1ccccc1 1481817679 OOJDTKKDXYIHMH-FSNWXROXSA-N 349.438 2.769 0 50 EFAA COC[C@@](C)(O)C(=O)N[C@H]1CCCOc2c1ccc(Cl)c2Cl 86582138 GHWVAVSLZXWQSD-XHDPSFHLSA-N 348.226 2.721 0 50 EFAA Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nnnn3CC(F)(F)F)C2)cc1 278650408 MMDJTMFCJVEGAI-TZMCWYRMSA-N 339.365 2.922 0 50 EFAA Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)c1 280317205 UEHPUTASYSMWPM-FUHWJXTLSA-N 331.456 2.706 0 50 EFAA COc1ccccc1OCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 408470050 YIDVWWYMDDXHAO-CQSZACIVSA-N 344.415 2.644 0 50 EFAA Cc1cc(NC(=O)NCCS(C)(=O)=O)ccc1-c1ccccc1 408514071 HLFNXQAETXZVRO-UHFFFAOYSA-N 332.425 2.828 0 50 EFAA COc1ccc(F)cc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 187738720 LRLMVEMJUKGJQA-KRWDZBQOSA-N 336.407 2.935 0 50 EFAA CCn1cc([C@@H]2OCC[C@H]2CNCc2cc(OC)ccc2F)cn1 414504040 NHRWWDCIZINHCI-SCLBCKFNSA-N 333.407 2.918 0 50 EFAA Cc1cc(Br)ccc1CNC(=O)NC1CCN(C)CC1 111797411 YPRJFNWEUPPNSD-UHFFFAOYSA-N 340.265 2.651 0 50 EFAA CC[C@@]1(CO)CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 189617713 VFNBCATXXGZIOV-INIZCTEOSA-N 338.814 2.797 0 50 EFAA CCc1cc2c(N[C@@H](CC(N)=O)C3CCOCC3)nc(C)nc2s1 641451937 ONSJFGCOURLNLQ-AWEZNQCLSA-N 348.472 2.645 0 50 EFAA COC[C@@H]1CN(C(=O)Nc2nc3c(s2)CCCCCC3)CCO1 194513496 VICVQMMXZZLGEP-LBPRGKRZSA-N 339.461 2.681 0 50 EFAA C[C@@H](NC(=O)C1(C(=O)O)CCC1)c1nc2ccccc2n1C(F)F 663113019 RIAYVCLWMYIZER-SECBINFHSA-N 337.326 2.864 0 50 EFAA c1ccc2c(c1)CC[C@H](N1CCN(c3ncnc4cc[nH]c34)CC1)C2 1772811065 NWYVITZVHDDEGV-KRWDZBQOSA-N 333.439 2.637 0 50 EFAA CCN1CCN(CCOc2ccccc2CN2C[C@@H]3C[C@]3(C)C2)CC1 1772813614 JYAJOIJLHIEOEQ-PZJWPPBQSA-N 343.515 2.545 0 50 EFAA O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772704022 RHKIDFZGFWRIKL-TZIWHRDSSA-N 337.419 2.825 0 50 EFAA Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1C 11692986 MJYBROKYJACVNZ-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA CCc1c(C)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O 13119484 VNIJAFIUIFNBPP-UHFFFAOYSA-N 332.835 2.621 0 50 EFAA O=C1[C@@H]2C[C@@H](CN2Cc2ccc3nccnc3c2)N1c1ccccc1F 14997412 CMNPLNZKZJMLCJ-LIRRHRJNSA-N 348.381 2.759 0 50 EFAA CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1OC 16552638 KKPVEQUANGXUOP-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc[nH]4)n3n2)cc1C 169778588 RTVQKYOJMZTNIZ-UHFFFAOYSA-N 346.394 2.666 0 50 EFAA Cc1cc(C)c(-c2nc(C3CCOCC3)nn2[C@H]2CCOC2)cn1 1857673412 RYYRTAIJDYCQGW-HNNXBMFYSA-N 328.416 2.812 0 50 EFAA O=C(Cc1cccc(F)c1F)N1CCCN([C@H]2CCSC2)CC1 1857694091 ACXSQIMXVBNQHR-AWEZNQCLSA-N 340.439 2.547 0 50 EFAA O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857701024 KTPPIDDMUCBETP-QILLFSRXSA-N 337.423 2.571 0 50 EFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCOC2(CCNCC2)C1 1857709368 TZQBVYJEHZUMKJ-CQSZACIVSA-N 348.878 2.949 0 50 EFAA CCC[C@@]1(CO)CN(c2cc(C(F)(F)F)cc(C)n2)CC[C@H]1O 1857735696 GZVQJUOLHKOCQT-HIFRSBDPSA-N 332.366 2.759 0 50 EFAA O=S1(=O)CC[C@H](N(Cc2ccccc2Cl)C[C@H]2CCCO2)C1 246394743 KVJLGILGRJMNRN-LSDHHAIUSA-N 343.876 2.508 0 50 EFAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1nccn1C 412012943 NGZAJHQLUCXVEN-LLVKDONJSA-N 341.333 2.814 0 50 EFAA C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1cccc(C(=O)O)c1 321005158 OGXZQCRRMMIUEJ-NSHDSACASA-N 337.372 2.906 0 50 EFAA O=C(Nc1nncs1)N1CCC[C@@H](Oc2ccccc2Cl)C1 328636757 AKSPTHNZJQTEGH-SNVBAGLBSA-N 338.820 3.267 0 50 EFAA Cc1cc(N2CCC[C@H](NC(=O)c3cnc4ccccc4c3)C2)n(C)n1 655064479 BNWRZGQFHNFFLT-KRWDZBQOSA-N 349.438 2.676 0 50 EFAA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 247705609 DNWRHFPOGGGALB-NBLIUIFLSA-N 342.420 2.960 0 50 EFAA C[C@H]1OCC[C@H]1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 134396030 LMWBKRNWKYNPEA-HTQZYQBOSA-N 334.260 2.690 0 50 EFAA O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc2oc(O)nc2c1 353825621 KSVMCHMRDJGBRD-UHFFFAOYSA-N 326.356 3.557 0 50 EFAA Cc1nnccc1C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 367978010 NLBNOBSSHYZODE-CQSZACIVSA-N 327.388 2.803 0 50 EFAA COc1ccc(F)cc1C(=O)N(C)C[C@@]1(O)CCc2ccccc21 843953653 LIQIAXUFYJRKCU-IBGZPJMESA-N 329.371 2.740 0 50 EFAA Cc1ccc(OCCN2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(C)c1 1704336769 ORNVKFYBAXIIER-QUCCMNQESA-N 347.455 2.620 0 50 EFAA COc1cnc(NC(=O)N2Cc3ccccc3NC(=O)[C@H]2C)s1 931283210 FTKHQDPMLDHRFB-SECBINFHSA-N 332.385 2.526 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)Cc3noc4ccccc34)C[C@H]2C1 2100483093 QUDKZQJSUGYZSN-GEEKYZPCSA-N 341.455 2.948 0 50 EFAA Cc1cc(NC(=O)c2csc(-c3ncccn3)n2)c(O)nc1C 2100554892 GRXRCUSIHSQBOP-UHFFFAOYSA-N 327.369 2.570 0 50 EFAA CO[C@@H](C)c1ncc(C(=O)O[C@H](CNC(C)=O)c2ccccc2)s1 2325745738 NMXCQHMOFKJERY-SMDDNHRTSA-N 348.424 2.885 0 50 EFAA Cc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[nH][nH]2)cc1CO 2325841465 WIZPRMJTJLGGPN-UHFFFAOYSA-N 343.333 2.830 0 50 EFAA C[C@@H]1C[C@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn21 891940909 UAWKJFBNSMGUIS-DOMZBBRYSA-N 347.850 2.713 0 50 EFAA O=C(CCC1CCCC1)N1CCN(C(=O)Cc2ccccc2)CC1 266729 NRGNNVKHELPCCP-UHFFFAOYSA-N 328.456 2.870 0 50 EFAA CCN(CC)CCNC(=O)C(Oc1ccccc1)Oc1ccccc1 2290159 MLLLIZNFRZCRNI-UHFFFAOYSA-N 342.439 2.929 0 50 EFAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 4998755 WCZBECCMPJRJAN-ZJUUUORDSA-N 345.226 2.815 0 50 EFAA Cc1cc(Br)cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1 6721020 WTFTZFREMWHPBP-BJOHPYRUSA-N 339.233 2.587 0 50 EFAA COc1c(C)cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C 7616255 XMJWGGOYIORTAQ-UHFFFAOYSA-N 349.408 2.519 0 50 EFAA O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 7991237 ZIPVWQKDALFCRB-PMPSAXMXSA-N 349.814 2.650 0 50 EFAA Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2C)cc1 10364193 GMJWANLCXCPZEE-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA COc1ccnc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 116186602 JWJNBMAYAQSPPV-UHFFFAOYSA-N 341.342 2.857 0 50 EFAA CCn1c(CC2CCN(C/C(C)=C/c3ccco3)CC2)n[nH]c1=O 65395843 RAQMYCGEVJKFSC-SDNWHVSQSA-N 330.432 2.542 0 50 EFAA C[C@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)N1CCOCC1 55224558 AEGXZBUKLLESLM-HWWITLHISA-N 334.504 2.772 0 50 EFAA CCOc1cc(CN2CCCC2)ccc1Oc1ncccc1C(N)=O 67655043 JKTSVYVYSWFZHO-UHFFFAOYSA-N 341.411 2.967 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@](F)(CO)C1 252496481 PJIHLZTYMRMZCO-YQVWRLOYSA-N 328.387 2.812 0 50 EFAA Cc1ccc2c(c1)CCCN2C(=O)CN[C@H](C)Cn1nc(C)cc1C 65398821 ZDYAFLXXOHKELV-MRXNPFEDSA-N 340.471 2.766 0 50 EFAA COCCS(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 253416265 MDXSVFNHWWJTET-INIZCTEOSA-N 349.456 2.580 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cccc3c2OCO3)cn1 328622044 AXKNMGFHKGDXJI-PBHICJAKSA-N 342.399 2.582 0 50 EFAA COC(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1 1387859 UGMLAKAURKMFCH-UHFFFAOYSA-N 329.303 2.823 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)no1 328627221 FWLNLHVVXHUYLP-CVEARBPZSA-N 332.448 2.547 0 50 EFAA Fc1ccc2ccc(NCc3cccnc3N3CCOCC3)nc2c1 360227031 ZYRXFUIKZQZWRK-UHFFFAOYSA-N 338.386 3.218 0 50 EFAA CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn32)cc1 4722073 KTTUITCRTCMZDO-LBPRGKRZSA-N 341.392 2.629 0 50 EFAA CS(=O)(=O)c1ccc2nc(NC(=O)CC(F)(F)F)sc2c1 122905171 MEGFPYLWCMGQCE-UHFFFAOYSA-N 338.332 2.591 0 50 EFAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)OC(C)(C)C 77273715 KXUSUGVJXKJTBL-CYBMUJFWSA-N 325.430 2.986 0 50 EFAA in-vitro CC[C@H](C(=O)N1N=C(C)C[C@@]1(O)C(F)F)n1nc(C)c(Cl)c1C 6555269 OOQRVQCRHURJSX-QMTHXVAHSA-N 348.781 2.666 0 50 EFAA Cc1c(CNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)oc2ccccc12 362363480 YQWJGUAWKABUJR-LIRRHRJNSA-N 344.411 2.879 0 50 EFAA CC[C@H](C)[C@H](C(=O)NCCn1cccc1)N1Cc2ccccc2C1=O 409413642 JQBGJVLCAHIDIB-MAUKXSAKSA-N 339.439 2.675 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1 332323574 SCQXTMNYFSUAEE-ATLSCFEFSA-N 344.455 2.892 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)NCc1cnn2ccccc12 77503919 ZHGWSCIOXJGGQG-UHFFFAOYSA-N 347.378 2.633 0 50 EFAA Cc1cc(C)cc(CSCC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)c1 72159244 PFOVAVWABDCNNB-GOSISDBHSA-N 348.468 2.590 0 50 EFAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccsc2)cc1 363300850 ZRRZBXWXUYQXNF-INIZCTEOSA-N 344.436 2.929 0 50 EFAA COc1ccc(-c2nnc3sc(-c4cn(C)nc4C)nn23)cc1 32095708 RMWWIILALOHRDF-UHFFFAOYSA-N 326.385 2.570 0 50 EFAA Cc1nc2ccccc2nc1N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 284571983 NCKGQZQLUTUZBJ-YJLNNSPDSA-N 327.428 2.695 0 50 EFAA CC[C@@H](C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088956 JTVLEAJZBAVYCL-SECBINFHSA-N 349.228 2.848 0 50 EFAA COc1ccc(C2(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)CCC2)cc1 341307382 KMZWZCUSDNQIIM-OAHLLOKOSA-N 339.439 2.867 0 50 EFAA CCOc1ccccc1OC1CCN(C(=O)[C@@](C)(O)C2CC2)CC1 375943900 CAKHEHWTOOLSGI-IBGZPJMESA-N 333.428 2.616 0 50 EFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 376695285 QUZQHQSUHUYMCQ-MRXNPFEDSA-N 345.326 2.540 0 50 EFAA CCn1ncc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)c1C 72144285 FUHSJZDJVXFCRX-INIZCTEOSA-N 333.457 2.910 0 50 EFAA CC1(C)CC(C)(C)c2cc(NC(=O)NC[C@@](C)(O)C(=O)O)ccc21 263067079 PICNBAFKIZFVJD-GOSISDBHSA-N 334.416 2.603 0 50 EFAA O=C(Cc1c(Cl)cccc1Cl)N[C@@H](C(=O)O)[C@@H]1CCCOC1 262877557 XGUNFTWKUDSZHX-YMTOWFKASA-N 346.210 2.532 0 50 EFAA NS(=O)(=O)c1ccc(Cn2ccnc2-c2cccc(F)c2F)cc1 71523866 MMCVWVMYBFVIIC-UHFFFAOYSA-N 349.362 2.524 0 50 EFAA O=C(O)CCc1cc2n(n1)CCN(Cc1nc3ccccc3s1)C2 72151729 BZWFIYAHGMUSQN-UHFFFAOYSA-N 342.424 2.526 0 50 EFAA Cn1cnc(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)c1 72166850 MRFVFBCUKQTXAO-INIZCTEOSA-N 333.457 2.596 0 50 EFAA COC(=O)c1coc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 241630845 PLVJHCJXXKKBIZ-KRWDZBQOSA-N 343.379 2.652 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1 177874318 NUXLRDXLHHFCIT-SECBINFHSA-N 348.819 2.572 0 50 EFAA C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@H](CN)C1 178552315 DZIBLWBYVNLAJG-HUUCEWRRSA-N 339.439 2.652 0 50 EFAA Cn1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1 82120947 LNZGTLBTMHCVLL-KRWDZBQOSA-N 349.438 2.685 0 50 EFAA O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ncccn2)CC1 20534524 RHCOAADATNQYHB-UHFFFAOYSA-N 335.770 2.623 0 50 EFAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccn(CCc2ccccc2)n1 294553473 KKLWAMPBLMCZSE-CQSZACIVSA-N 337.427 2.659 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1CC[C@@H](Cc2ccc(CO)cc2)C1 95362311 UVNJFCMOLRRCRB-KRWDZBQOSA-N 337.419 2.819 0 50 EFAA O=C(c1ccncc1)N1CCC(c2nccn2Cc2ccccn2)CC1 91859332 MJYMJMZYUISVRT-UHFFFAOYSA-N 347.422 2.741 0 50 EFAA O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCN2CCCC[C@@H]2C1 182444684 KNUYMQQNPZDMJD-OAHLLOKOSA-N 349.862 2.834 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 184042781 UPFMIFTWQCHURN-CYBMUJFWSA-N 343.420 2.568 0 50 EFAA CC(C)OC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 184273271 KUNJSCHRXVYNMU-YOEHRIQHSA-N 331.412 2.570 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)NCc1csc(N2CCCC2)n1 299786151 WDNHWMPDNHRMBI-GFCCVEGCSA-N 333.461 2.516 0 50 EFAA COc1cccc(SCC(=O)N(C)Cc2noc(C(C)C)n2)c1 824787733 ICEDAORIHGDLNL-UHFFFAOYSA-N 335.429 2.952 0 50 EFAA NC(=O)CCN(CCc1ccccc1)C(=O)Nc1ccc(F)cc1F 826835069 MTBGDLLNKAWKGM-UHFFFAOYSA-N 347.365 2.917 0 50 EFAA CCN(Cc1ccc(C)o1)C(=O)NCCc1noc([C@H]2CCCO2)n1 584893518 SCRLQNCNMSCMQJ-CQSZACIVSA-N 348.403 2.597 0 50 EFAA CCN1Cc2ccccc2C[C@@H]1c1nc(-c2ccco2)nn1CCO 828776930 MFKWDTDOEISJTF-MRXNPFEDSA-N 338.411 2.650 0 50 EFAA CCO[C@H]1C[C@H](NC(=O)N(C)CCc2cnccn2)C12CCCCC2 271319728 ARKBSFSEIYKKCP-IRXDYDNUSA-N 346.475 2.788 0 50 EFAA CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)c1ccccc1 952991584 BETGYUHDZWZTJI-GFCCVEGCSA-N 338.333 2.675 0 50 EFAA Cc1cc(CNc2cnn(Cc3ccc(F)cc3)c2)nc(N(C)C)n1 1875284279 VAQPINRSTGDNNR-UHFFFAOYSA-N 340.406 2.847 0 50 EFAA O=C1CC[C@@H](Cc2noc(Cc3ccccc3C(F)(F)F)n2)N1 1875274914 OKEKFUMSCSMDRQ-JTQLQIEISA-N 325.290 2.500 0 50 EFAA Cc1nnsc1[C@@H](C)Nc1ccc(N2CCC(N(C)C)CC2)cn1 1875285644 UVHSRYYADORMGQ-GFCCVEGCSA-N 346.504 2.945 0 50 EFAA CC(C)c1ccccc1[C@H](C)NC(=O)N1CCc2nc[nH]c(=N)c2C1 1875310022 ZUBXOFKGQGEPME-ZDUSSCGKSA-N 339.443 2.841 0 50 EFAA NC(=O)[C@@H](NC(=O)NOC1CCCC1)c1ccc2ccccc2c1 1875304543 NINHJGRUCUSQJD-INIZCTEOSA-N 327.384 2.540 0 50 EFAA COC[C@H](C)N(Cc1ccccc1C)C(=O)c1ccc(C(N)=O)cc1 952860180 HIQSVECUXYWNOQ-HNNXBMFYSA-N 340.423 2.771 0 50 EFAA O=C(NCc1ccc(Br)c(F)c1)NC1CC(CCO)C1 892480366 CDNAMWZTTMIUOT-UHFFFAOYSA-N 345.212 2.548 0 50 EFAA O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cc2n(n1)CCCO2 1337555108 LDLBXBRDSHKJCR-QGZVFWFLSA-N 348.406 2.774 0 50 EFAA CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc3c(c2)OCCO3)CCO1 272915678 LKEUXDWIVXTXNI-YOEHRIQHSA-N 333.428 2.915 0 50 EFAA Cc1nc2c(n1[C@@H]1CCN(C[C@@H](O)Cc3ccccc3)C1)CCCC2 275298559 MQVAQBFDQCOEDK-MOPGFXCFSA-N 339.483 2.921 0 50 EFAA Cn1cc(C(=O)N[C@H]2CCCc3ccccc32)c([C@H]2CCOC2)n1 275343532 SYKZQUJHTUFQMB-YOEHRIQHSA-N 325.412 2.731 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 277533107 QTBZTNTWBXLMEV-CJNGLKHVSA-N 333.407 2.576 0 50 EFAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1C[C@@H]1c1cccc(O)c1 170003437 DTBSVQXPPYPUNP-QZTJIDSGSA-N 333.391 2.998 0 50 EFAA COc1cccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1OC 186892928 BNCSVTGTVPABCB-HXUWFJFHSA-N 339.391 2.975 0 50 EFAA CN(C(=O)c1cccc(NC(=O)C2CC2)c1)C(C)(C)CN1CCCC1 408521664 FIDFCMPNFYHYMD-UHFFFAOYSA-N 343.471 2.982 0 50 EFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(c2cc(NCC3CC3)ncn2)C1 281678283 MCPQTWXHRXEYPU-HZPDHXFCSA-N 328.391 2.750 0 50 EFAA Cc1nn(C)c(C)c1CCOC(=O)CCc1cccc(N(C)C)c1 225390826 KSYWMXNMVHLEQA-UHFFFAOYSA-N 329.444 2.821 0 50 EFAA CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2ccccc2)on1 225494954 ZWTDFFYXNUSBAI-ZIAGYGMSSA-N 342.399 2.768 0 50 EFAA CN(CC1(O)CCOCC1)C(=O)NCc1ccc2ccccc2c1 188537355 XPWDCMGRFJIBCQ-UHFFFAOYSA-N 328.412 2.523 0 50 EFAA COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)ccc1F 190990362 VHMJZQPZTDYSOR-UHFFFAOYSA-N 328.365 2.921 0 50 EFAA CN(Cc1coc(-c2cccc(Cl)c2)n1)C1(CO)CCOCC1 191027343 WITKXRJLMUQVIL-UHFFFAOYSA-N 336.819 2.968 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)NC[C@@](C)(O)C2CCCCC2)cc1 192283043 JKLQAMOUYFDGMI-UZUQRXQVSA-N 338.473 2.877 0 50 EFAA COc1ccc2c(c1)N(C(=O)Cc1cccc(C(=O)O)c1)CCC2 659225614 NUBXJPLATLIBTP-UHFFFAOYSA-N 325.364 2.915 0 50 EFAA C[C@H]1CCCN(Cc2ccccc2CNc2cncc3ncnn23)C1 679926335 OQABEKMXUSDVMG-HNNXBMFYSA-N 336.443 2.968 0 50 EFAA CN(C)c1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c2ccccc2n1 680434247 MCPIHWLHMXWAEP-OAHLLOKOSA-N 349.438 2.975 0 50 EFAA CC(=O)Nc1nonc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 1506413815 LMBAEYZPVNXKLS-NSHDSACASA-N 346.387 2.866 0 50 EFAA Cc1cccc(N2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c1 1775978682 UOQYCMYVQPZASC-GOSISDBHSA-N 329.488 2.764 0 50 EFAA CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(noc2C)C[C@@]1(C)O 5073464 WJFPHIALWKFGEJ-GUDVDZBRSA-N 328.412 2.693 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1cc(COc2ccccc2)[nH]n1 11935549 FRAFWPIZVPOISW-MRXNPFEDSA-N 329.400 2.630 0 50 EFAA CN(C(=O)c1cnccn1)[C@@H]1CCCN(CCCc2ccccc2)C1 12001820 VGOVHWCLKVQXLW-GOSISDBHSA-N 338.455 2.646 0 50 EFAA COCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 15078643 QDMUXTLZZVVTEK-HNNXBMFYSA-N 327.428 2.957 0 50 EFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1 19167564 BYIIOLNFLNQKTM-OTWHNJEPSA-N 347.418 2.531 0 50 EFAA OCC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CCN1C1CCCC1 19227443 LBOCSTCSTSXLEW-MRXNPFEDSA-N 338.879 2.857 0 50 EFAA CC(=O)N[C@@H](Cc1c[nH]cn1)c1nc(-c2cc(Cl)ccc2C)no1 19792884 FMBKZRJFPCTVKP-AWEZNQCLSA-N 345.790 2.841 0 50 EFAA O=C(c1cncc(F)c1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857667693 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332.787 2.522 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 170048399 KUFUYBQQCLPPES-ONGXEEELSA-N 329.213 2.788 0 50 EFAA Cc1nnc(-c2cccc(CN3CC(O)(c4ccccc4F)C3)c2)o1 2325789042 AAKXDGMQOOYKTQ-UHFFFAOYSA-N 339.370 2.888 0 50 EFAA C[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(-c2ccccc2F)n1C 2325860608 NENVDDKPJLFWHE-GFCCVEGCSA-N 326.375 2.915 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@@]3(C(=O)O)C[C@@H]3c3ccccc3)cn12 907814658 QTDNPEILFIPYQB-OXQOHEQNSA-N 349.390 2.517 0 50 EFAA CCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1 472370 DHJLJCWUDCZLAT-UHFFFAOYSA-N 337.445 2.903 0 50 EFAA O=C(NC(=S)NCc1ccco1)c1ccc(Br)cc1 546944 YOQFOGHAEAFQQB-UHFFFAOYSA-N 339.214 2.847 0 50 EFAA Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1 613181 XTLJFPWIEXRVRS-UHFFFAOYSA-N 331.426 2.763 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(C)cc1 1025129 YHAGIQWOOKVRKT-HNNXBMFYSA-N 330.409 2.818 0 50 EFAA Cc1nnc([C@H](C)N(C)C[C@H](c2cccs2)N2CCOCC2)o1 247387096 WRNFYLWNODCLFR-GXTWGEPZSA-N 336.461 2.506 0 50 EFAA COC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3)c2C)c1 8715129 RNGBVJJTPDFPMK-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA CC(=O)Nc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 100749536 CMYCDCFDTSVKFZ-FCIDVOKBSA-N 330.771 2.610 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](OC)c2ccccc2)C1 247448543 SNBICYQVSNBRHN-APWZRJJASA-N 340.423 2.778 0 50 EFAA Cc1csc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1 9340805 ADZNQBCHOZDRBL-UHFFFAOYSA-N 329.425 2.942 0 50 EFAA COc1ccccc1/C=C/CN1CCC(n2cc([C@@H](C)O)nn2)CC1 55060696 ANIHGMGMVUSZNU-KEDPEKRHSA-N 342.443 2.690 0 50 EFAA Cc1ccc(OC2CCN(c3cc(CCN)nc(C)n3)CC2)cc1 67803410 QHYHRYYBUBYVQU-UHFFFAOYSA-N 326.444 2.642 0 50 EFAA COCCN1CCC[C@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 65398251 JEHQGHNUSBOUDX-OAHLLOKOSA-N 330.428 2.829 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C/C=C/c2ccc(F)cc2)n1 348258257 WDWOLYLERWAGBL-QSBLFJKKSA-N 345.374 2.909 0 50 EFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccc2nccnc2c1 223679735 NYZZODGHUGFTDG-PIKADFDJSA-N 337.423 2.953 0 50 EFAA CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 65361865 NVPYPKUUDJHYTL-UHFFFAOYSA-N 332.425 2.570 0 50 EFAA CN(C)c1nccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 151355783 OXJXGOGXZVFSCF-UHFFFAOYSA-N 342.790 2.634 0 50 EFAA CC(C)n1cc([C@@H]2CN(Cc3ncc(C4CC4)o3)C[C@H]2CO)cn1 285583296 WNHBXVDIEAKGNG-HOTGVXAUSA-N 330.432 2.537 0 50 EFAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 121858844 MXQZJQLOGJDITD-UJWQCDCRSA-N 336.520 2.528 0 50 EFAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1 2804117 HOHZOXGQSWSXHL-VIFPVBQESA-N 329.372 2.935 0 50 EFAA Cc1nn(C)cc1CNC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2804214 NMLQCHBGNNKNPG-ZDUSSCGKSA-N 330.432 2.798 0 50 EFAA CN1CCC(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 174021715 XWNSYYNMHWVSLV-UHFFFAOYSA-N 342.443 2.858 0 50 EFAA CC(C)CN1CCCC[C@H]1C(=O)N[C@H]1CCCc2nc(O)ccc21 253534395 WNQWRJIOZSVZNT-IRXDYDNUSA-N 331.460 2.791 0 50 EFAA CC(C)(C)c1ccc([C@H](O)CCC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 253630068 UJWLQTCYBXSYLF-BMGDILEWSA-N 331.456 2.851 0 50 EFAA Cn1ccnc1[C@H](NCc1ccc2c(c1)ncn2C)C1CCOCC1 284652258 GGRQXZYZCYSNNZ-GOSISDBHSA-N 339.443 2.564 0 50 EFAA CCc1cc(C(=O)OC)c(NC(=S)NCc2ccccn2)s1 5950062 VYHFCMHAGFXTCH-UHFFFAOYSA-N 335.454 2.979 0 50 EFAA COCCc1ncc(CN2CCC[C@H](C(=O)c3ccccc3)C2)cn1 72454033 QEAGWDRRHLWDKK-SFHVURJKSA-N 339.439 2.760 0 50 EFAA CN1CC[C@@H](CNC(=O)c2cn[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 155604028 UTUDDMGIRLLKET-NHYWBVRUSA-N 336.798 2.625 0 50 EFAA Cc1cccc(/C=C/C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 154794610 TWJFITFDOHMNTD-OVKVCFKUSA-N 339.439 2.714 0 50 EFAA O=C(O)c1ccccc1CN1CCN(C2Cc3ccccc3C2)CC1 216258498 TZVNAACEDCLZBT-UHFFFAOYSA-N 336.435 2.670 0 50 EFAA O[C@@]1(c2ccccc2)CCCN(Cc2nnnn2-c2ccccc2)CC1 365980422 QCDHOJPHGOKBRW-FQEVSTJZSA-N 349.438 2.536 0 50 EFAA O=C(Nc1nc2c(s1)CCCCC2)C(=O)N1CCCC12CCC2 366029304 BLISQTCMFAKHPB-UHFFFAOYSA-N 333.457 2.896 0 50 EFAA C/C=C/Cc1nnc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)o1 71708063 QGXWPLCBIKZDNL-NSCUHMNNSA-N 347.378 2.801 0 50 EFAA CC(C)c1nc(N[C@H](C)c2nncn2C(C)C)c2cnn(C)c2n1 72129608 SYPPMSDYGUAVOL-LLVKDONJSA-N 328.424 2.832 0 50 EFAA CCc1ccc([C@H]2CNCCN2Cc2cnc3[nH]nc(C)c3c2)cc1 261757435 QTGQTEAIGLOMOP-LJQANCHMSA-N 335.455 2.975 0 50 EFAA COc1cc(CN[C@H]2CN(C)Cc3ccccc32)cc2c1OCCO2 371323416 NQQCAXGOIGFJMT-KRWDZBQOSA-N 340.423 2.743 0 50 EFAA C[C@H](OC1CCCCCC1)C(=O)N1CCNC[C@@H]1c1ccncc1 333336234 XDDZPCLLXYKNRY-MAUKXSAKSA-N 331.460 2.682 0 50 EFAA CC(C)[C@@H](CO)[C@H](NCc1cn(C)nc1-c1cccnc1)C(C)C 449508834 HYQUZQUUOBEPIE-QZTJIDSGSA-N 330.476 2.861 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC(Cc2ccccc2F)CC1 77302532 WSWGTBLHKGGHGQ-UHFFFAOYSA-N 332.375 2.933 0 50 EFAA Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](CCC(N)=O)C1 72158835 FMXWTHJZHDSLGG-INIZCTEOSA-N 326.444 2.658 0 50 EFAA CN(Cc1cccc2ncccc12)C(=O)CNC(=O)c1ccccc1 77437364 IPUPYXVOAJJXJB-UHFFFAOYSA-N 333.391 2.623 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)C12CCCC2 241795530 RZYYVTGHVJQUCB-LTIDMASMSA-N 331.460 2.720 0 50 EFAA CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 242302400 YSHGMCZABXUACE-QPSCCSFWSA-N 330.494 2.610 0 50 EFAA COc1ccccc1N1CC[C@@H](CNC(=O)C(F)(F)C(F)F)C1 176332714 LGHFTIFJNRGOOI-JTQLQIEISA-N 334.313 2.538 0 50 EFAA Cc1ncsc1CCC(=O)NCCc1noc(-c2ccccc2)n1 82138601 AWZFTTWGHNMFPD-UHFFFAOYSA-N 342.424 2.793 0 50 EFAA COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N2CCC2)cc1 426506610 KAMMRJVKYFNXCO-UHFFFAOYSA-N 325.364 2.995 0 50 EFAA CNc1cc([C@H]2C[C@@H](NC(=O)Cc3c(C)[nH]c4ccccc34)C2)ncn1 223060215 RPXYGWPYVQHOGT-HDJSIYSDSA-N 349.438 2.913 0 50 EFAA CNC(=O)c1ccc(OC)c(NC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1 426506879 WPVHKMWIFUSELS-CUFDPUGPSA-N 343.427 2.565 0 50 EFAA C[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)C2CCC2)CC1 91656069 WCUQRNUOLCBWKA-GFCCVEGCSA-N 335.473 2.701 0 50 EFAA CCCc1nnc(NCc2cc3n(n2)CCCN(CC(C)C)C3)o1 95352770 CHVFIOBWAHRHLZ-UHFFFAOYSA-N 332.452 2.692 0 50 EFAA Cc1cccc(=O)n1CCCNC(=O)c1ccc([C@@H]2CCCO2)s1 92081365 TWBNHRXPYXNUCO-AWEZNQCLSA-N 346.452 2.890 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCn2cccn2)C1 95360701 VRIYCKZBWATACQ-MRXNPFEDSA-N 329.448 2.676 0 50 EFAA CCCCCn1nc(C(=O)N[C@@](C)(C(N)=O)C(C)C)c2ccccc21 97758813 WLFSZTSBEOZUTQ-LJQANCHMSA-N 344.459 2.856 0 50 EFAA in-vitro Cc1cc(-c2ccccc2)nc(CN2C(=O)COc3cccnc32)n1 95370043 LYCUKZDFWJHTFD-UHFFFAOYSA-N 332.363 2.773 0 50 EFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCCOC1CCCCC1 95519371 HMGJQDHKURMBGL-LJQANCHMSA-N 330.472 2.899 0 50 EFAA c1ccc(Cc2nc(Cn3cc([C@@H]4CCOC4)nn3)cs2)cc1 91381244 HJUPFROMUULCSC-CQSZACIVSA-N 326.425 2.878 0 50 EFAA Cc1ccccc1CN1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91651364 PIHOWVBPPBBHAQ-NRFANRHFSA-N 342.483 2.989 0 50 EFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cn2ccc(C)cc2n1 97360079 MGCAMUZDWIRZIX-UHFFFAOYSA-N 341.415 2.887 0 50 EFAA Cc1csc(CCNC(=O)c2ccc([C@H]3CCCNC3)cc2)n1 95359193 PDXIQFQNSYJVMB-INIZCTEOSA-N 329.469 2.891 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]([C@H](C)N)C1 237487192 QFJKJXRHMFFAGF-GOEBONIOSA-N 325.456 2.980 0 50 EFAA Cc1noc(C)c1CCC(=O)NC[C@H]1CCOc2ccccc2C1 95374363 WVEJNWMCDCWJNN-HNNXBMFYSA-N 328.412 2.982 0 50 EFAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)CC1CCN(C)CC1 97711708 ROYJFKCAJNDAGG-OAHLLOKOSA-N 336.451 2.921 0 50 EFAA Cc1cc(C)cc(-n2nc(NC(=O)c3ccc(=O)n(C)c3)cc2C)c1 182538779 IKAXMIFSVPNPIA-UHFFFAOYSA-N 336.395 2.749 0 50 EFAA Cc1cccn2cc(C(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)nc12 252552482 UTACSEBRDDLNOX-KZNAEPCWSA-N 349.434 2.755 0 50 EFAA O=C1CN(C[C@H]2CCCN2Cc2ccccc2)CCN1c1ccccc1 252500112 SNFDXFQXTAVRQB-OAQYLSRUSA-N 349.478 3.000 0 50 EFAA Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)ccn1 685942794 VUGJEAFDDOMSGS-CVEARBPZSA-N 339.443 2.897 0 50 EFAA CC(C)CCn1ncc(C(=O)OCCc2cnc(O)nc2)c1C(C)C 1875265874 MBWLHEHIQHROKQ-UHFFFAOYSA-N 346.431 2.948 0 50 EFAA CN(C)C/C=C/C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 1875376686 FTGLBVTXENUWBZ-XWGMLZDCSA-N 329.488 2.617 0 50 EFAA COc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3F)nn2)cc1 1875327860 NOAZEVMHORJSCM-LBPRGKRZSA-N 340.358 2.906 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2cc(CSCC)ccn2)CC1 1875363390 QLXWEYZNJODZQW-UHFFFAOYSA-N 333.457 2.698 0 50 EFAA O=C(COc1cccc2cccnc12)NCc1ccc2nc[nH]c2c1 1875332064 LHVJUUZHMDOBSL-UHFFFAOYSA-N 332.363 2.806 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)C[C@@]2(C)CCN(C)C2)cc1Cl 952989262 CMIRUGMWHLKKFG-HNNXBMFYSA-N 330.881 2.611 0 50 EFAA O=C(NCc1nnc2ccccn12)[C@H]1CCCc2c1[nH]c1ccccc21 952867438 NCYYTHIITAYYHR-HNNXBMFYSA-N 345.406 2.947 0 50 EFAA O=C(NCCCn1cccn1)Nc1ccsc1Br 888099621 TZEDAFSDTURREB-UHFFFAOYSA-N 329.223 2.919 0 50 EFAA CC[C@@H](CC(=O)NS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1 888099449 KBTLPTIPYXQSIZ-QWRGUYRKSA-N 337.363 2.967 0 50 EFAA Cc1oc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1CO 631589087 BBJOJENQEYMFOE-SFHVURJKSA-N 342.439 2.817 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)no1 275669309 LMIPFSMQVGESFF-INIZCTEOSA-N 343.431 2.896 0 50 EFAA CCc1nnsc1C(=O)NCC1(O)CCC(C(C)(C)C)CC1 169983346 IYQQCJGMJRYVCB-UHFFFAOYSA-N 325.478 2.798 0 50 EFAA O=C(O)/C=C/c1cnc(/C=C/c2cnc(N3CCOCC3)s2)s1 170655143 YPPGXCBVNSYZFR-ZPUQHVIOSA-N 349.437 2.704 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 408387247 VDUFWKODVIZFMJ-FPCVCCKLSA-N 333.432 2.884 0 50 EFAA CCOC(=O)Cc1csc(SCc2cn3cccnc3n2)n1 408516266 ACCUVGZYDRYHOO-UHFFFAOYSA-N 334.426 2.584 0 50 EFAA Cc1ncc(CNC(=O)CSc2ccc(C(C)(C)C)cc2)c(N)n1 408518259 YCLDLJQGJWVSHJ-UHFFFAOYSA-N 344.484 3.073 0 50 EFAA C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)CC(=O)N2 170869762 ZZCKAMVGHMQEMB-SNVBAGLBSA-N 342.420 2.806 0 50 EFAA O=C(c1cc2ccccc2c(=O)o1)N1CCCCC[C@@H]1c1ncon1 280655547 DYYOXBNWIMJYPA-CQSZACIVSA-N 339.351 2.934 0 50 EFAA CC(C)COc1ccc(CNC(=O)C[C@@H]2CCCCNC2=O)cc1 225604184 JJVQHZXZYOPMNG-INIZCTEOSA-N 332.444 2.644 0 50 EFAA COCCn1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)n1 189937418 GULMOQCEBHZPTA-SUMWQHHRSA-N 331.391 2.892 0 50 EFAA O=C(c1ccc(CO)o1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529185822 QPGDBSPMUKRBCL-ZWKOTPCHSA-N 327.380 2.764 0 50 EFAA COc1cc(C)c(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1C 1529158399 BXTDMDJEPAMDCN-RTBURBONSA-N 330.472 2.607 0 50 EFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)nc(C)n1 216546930 ONZKYAFQTKCMRP-AEFFLSMTSA-N 342.487 2.965 0 50 EFAA COc1ccc(Br)c(C(=O)N[C@]2(C)CCCOC2)c1 221699666 CXRDHJZKFJARFC-CQSZACIVSA-N 328.206 2.757 0 50 EFAA Oc1cccc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)c1 1616080367 MSUMCRNKOLBAPJ-UWJYYQICSA-N 334.419 2.976 0 50 EFAA Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772709576 KRVLDOODUJJMSK-BZNIZROVSA-N 338.791 2.603 0 50 EFAA CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1OC 13678363 SEONNVKAYSULTE-UHFFFAOYSA-N 348.424 2.554 0 50 EFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1CCCCC1)C2 14538141 CYQHZTVKYPYMNA-MRXNPFEDSA-N 344.503 2.683 0 50 EFAA O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCSC2)nc1 15076677 AXKYULJNDPBVHS-MRXNPFEDSA-N 342.468 2.757 0 50 EFAA Cc1nnc(SCC(=O)NCc2ccc3c(c2)CC(C)(C)O3)o1 19790649 JCNSGMUQXYUMRN-UHFFFAOYSA-N 333.413 2.500 0 50 EFAA C[C@H](C(=O)N1CCCCC[C@H]1C=Cc1ccccc1)S(C)(=O)=O 1857533279 GGMSCZKMOWVOSR-WBVHZDCISA-N 335.469 2.904 0 50 EFAA C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)C2(C(=O)O)CC=CC2)C1 663070032 KSHASGKZAKMBFS-JKSUJKDBSA-N 334.460 2.520 0 50 EFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2ncc(-c3cccc(F)c3)o2)C1 344704476 AOOHBCUSNXSYKQ-KGLIPLIRSA-N 343.362 2.561 0 50 EFAA COc1cc(CN[C@@H](C)c2c(C)nn(C)c2C)cc2c1OCCO2 253422925 JOQVYTFHXRIOIZ-NSHDSACASA-N 331.416 2.668 0 50 EFAA CC[C@](C)(COc1ncccc1Cl)NC(=O)C1CCN(C)CC1 154406185 JEYHNORMWGHHNV-QGZVFWFLSA-N 339.867 2.741 0 50 EFAA C[C@H](CO)N(C)CCC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 904217877 SRIIFHGMHCAOAM-WZYMTQMTSA-N 326.481 2.867 0 50 EFAA Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(N(C)C)n1 813083309 LZQJNPNVUWBUSI-UHFFFAOYSA-N 341.337 2.618 0 50 EFAA Cc1c(Cl)c(CNC[C@@](C)(O)c2ccc(F)cc2F)nn1C 817407262 HLOGZSIJJAZGEN-OAHLLOKOSA-N 329.778 2.657 0 50 EFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2noc(C3CC3)n2)cc1 818023981 GKTIRYMCMSEIFI-VQIMIIECSA-N 343.427 2.828 0 50 EFAA O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1cc(F)cc(F)c1O 826729259 IHLQZQVEWLLLRO-INIZCTEOSA-N 348.349 2.699 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3c[nH]cc3Cc3ccccc3)C2)n1 935903973 WZYFJJXFOWFREV-OAHLLOKOSA-N 336.395 2.927 0 50 EFAA N[C@H]1CCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 237841568 NPCHIBWOSZKXBW-YVZNUBBCSA-N 327.359 2.586 0 50 EFAA CCn1c(=S)sc2c(=O)[nH]c(-c3ccc4c(c3)OCO4)nc21 117920 HEDNQNDCZTWSGW-UHFFFAOYSA-N 333.394 2.931 0 50 EFAA O=C(O)c1coc(C(=O)NC2([C@H](O)c3ccc(F)cc3)CCCC2)c1 2325788622 SNNVQMDWDUKBSH-OAHLLOKOSA-N 347.342 2.893 0 50 EFAA C[C@H](Cc1ccc(F)cc1F)C(=O)N[C@@H]1COc2ccccc2[C@H]1O 2325791596 VZBNXGBJWNDFOB-XNAIMREJSA-N 347.361 2.754 0 50 EFAA O=C(c1cc(O)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CC23CCC3)CC1 2325852541 KJQQPINJBWMUAQ-HNNXBMFYSA-N 348.830 2.520 0 50 EFAA Cn1ccnc1C[C@H](N)C(=O)N1CCc2c(-c3ccccc3)cccc21 2325857995 XCCSNTRCLYZFST-SFHVURJKSA-N 346.434 2.546 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@]2(CO)CC(C)C)c1 867723080 VUBHZJLOGZPQCP-LJQANCHMSA-N 330.428 2.824 0 50 EFAA NS(=O)(=O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 88355 AZCKQUKJBYGEFQ-UHFFFAOYSA-N 332.410 2.596 0 50 EFAA COC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 121728 NDOZYPKIICZALF-UHFFFAOYSA-N 329.352 2.672 0 50 EFAA biogenic COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C 382654 TZACCUIIOJUTQH-UHFFFAOYSA-N 334.397 2.763 0 50 EFAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 478314 HGRYQVIUMRKDMU-UHFFFAOYSA-N 337.210 2.746 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NCc2cnn(CC)c2)cc1 621436 PIHJUDOYPQTYTR-UHFFFAOYSA-N 332.429 2.566 0 50 EFAA O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1 911354 IPPLASLAWGBNHF-UHFFFAOYSA-N 328.151 2.572 0 50 EFAA COCCOC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 1891410 YPAFXJCBRFAXFE-UHFFFAOYSA-N 329.352 2.507 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356143331 CUQGLXCHSCCOJY-HXUWFJFHSA-N 347.422 2.716 0 50 EFAA CCn1c(SCC(=O)O)nnc1-c1ccc(Br)cc1 4648150 HDDAIBVQHDGADT-UHFFFAOYSA-N 342.218 2.904 0 50 EFAA COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1 4703566 IOMNVVRUZWGARE-UHFFFAOYSA-N 342.395 2.842 0 50 EFAA CC(C)(C)c1ccc(COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 4842284 YJJVTIUFLJRMHS-UHFFFAOYSA-N 347.436 2.989 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 7991359 YLWPDUYFJPUFOK-GLQYFDAESA-N 346.814 2.840 0 50 EFAA O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NC1CCCC1 20457827 XLDUXZCVAPRLJV-UHFFFAOYSA-N 335.879 2.516 0 50 EFAA O=S(=O)(N1CCCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 26811362 HVEANFQCESNTLY-SFHVURJKSA-N 345.468 2.624 0 50 EFAA C[C@H](C(=O)NCc1c(F)cccc1OC(F)F)c1ccnn1C 421505724 OSOFYUMJNKCEEP-VIFPVBQESA-N 327.306 2.581 0 50 EFAA CCOC(=O)[C@H]1CCCN(Cc2coc3ccc(C)cc3c2=O)C1 23281957 BQWPTFZOERAVTQ-AWEZNQCLSA-N 329.396 2.877 0 50 EFAA Cc1cc2c(c(NC(=O)c3ccc([C@H]4CCCN4)s3)n1)C(=O)OC2 23428987 WZWRGBYIDHGRBH-LLVKDONJSA-N 343.408 2.799 0 50 EFAA Cc1ccc(OC2(C(=O)N[C@@H](C)c3cccnc3)CCNCC2)cc1 65373015 MWGKRQMLBPFHDW-INIZCTEOSA-N 339.439 2.768 0 50 EFAA CCCN(CC)c1ccc(C(=O)N2CC3(CCNCC3)C[C@H]2C)cn1 424232313 HMEIESOBWCULKR-MRXNPFEDSA-N 344.503 2.922 0 50 EFAA COc1cc(CNC(=O)c2cccc(Cn3cccn3)c2)ccc1O 65410202 LNZMAFFOLUPFGK-UHFFFAOYSA-N 337.379 2.576 0 50 EFAA C[C@@](CO)(CNC(=O)NCCc1cccs1)Cc1ccccc1 252484246 FSURLJLCPVCKQU-SFHVURJKSA-N 332.469 2.831 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)C1(C)C 230224489 RUPNGMWZWKFDPO-YIDVYQOGSA-N 337.460 2.792 0 50 EFAA COc1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)nn1 120892370 DEFXQNSQMXQMBN-HNNXBMFYSA-N 329.425 2.724 0 50 EFAA CCc1noc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 120959295 AZJAXIBQCZKSNB-HNNXBMFYSA-N 342.399 2.574 0 50 EFAA COc1ccc2[nH]c(=O)c(CN3CCC[C@H]3CN3CCCC3)cc2c1 67817201 QVCBRNZSRBLPAD-KRWDZBQOSA-N 341.455 2.597 0 50 EFAA COc1ccccc1/C=C/CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5010355 QPZSBZGRUIMOFW-XNSJLZHBSA-N 336.435 2.989 0 50 EFAA Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@@H]3O)cc2c1 253623531 YLBIQGYMGWNKDN-OAGGEKHMSA-N 329.396 2.743 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)NCc2ccccc2F)C1 150922236 NZAAYGHDFVTXRO-HNNXBMFYSA-N 343.402 2.912 0 50 EFAA Cc1cc(N2C[C@H](C)O[C@H](C)C2)nc([C@@H](C)N2C[C@H](C)O[C@H](C)C2)n1 361147302 UIMUZGHJRZLUFI-BPKGMFCQSA-N 348.491 2.569 0 50 EFAA C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1C(C)(C)C 328642331 YKWPSWSPXRLLMP-INMHGKMJSA-N 339.501 2.890 0 50 EFAA COc1cc(C)c(S(=O)(=O)N2CCOCC23CC3)cc1C(C)C 328730670 GDUPQSOIKIAXQR-UHFFFAOYSA-N 339.457 2.681 0 50 EFAA Cc1ccncc1C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2 77356573 ICUKOLXCLZNNNH-UHFFFAOYSA-N 345.443 2.863 0 50 EFAA CC(=O)N1C[C@H](CCC(=O)N2CCCc3n[nH]cc32)c2ccccc21 363853881 DPPLOFSIERDRLP-AWEZNQCLSA-N 338.411 2.619 0 50 EFAA CC[C@H]1CN(Cc2snnc2C)CCC(=O)N1Cc1ccccc1 71763081 GUUVMJZGSHGCFW-INIZCTEOSA-N 344.484 2.860 0 50 EFAA CN(C)C(=O)CC1CCN(Cc2nnc(-c3ccccc3)s2)CC1 156246844 VXVKTKXDHDXMHJ-UHFFFAOYSA-N 344.484 2.895 0 50 EFAA Cc1nc(NC(=O)[C@H]2CC2(C)C)ccc1I 156705625 IQOWAVIIPCIZAF-MRVPVSSYSA-N 330.169 2.979 0 50 EFAA CC(C)(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2CCO 371309961 DTPARWCTHZOONB-QGZVFWFLSA-N 341.455 2.638 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)cc1 337507314 IUMPRTWZGDAXSK-VQIMIIECSA-N 341.407 2.581 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 262236406 TUQNWFGVOAOBCY-GFCCVEGCSA-N 343.335 2.726 0 50 EFAA CC1([C@@H]2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3F)C2)OCCO1 242147467 WSCMHMQGGQOFHF-UKPHBRMFSA-N 348.418 2.866 0 50 EFAA O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N1CC[C@@H](N2CC=CC2)C1 242106287 WIKQLQGMZMTOIH-UEXGIBASSA-N 337.467 2.546 0 50 EFAA CCCC(=O)N[C@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 33909672 IJELYAPRVVJGHR-FXPVBKGRSA-N 331.671 2.708 0 50 EFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](N)C3)C2)c1 237368505 XEZYHHDKHZCATJ-IIAWOOMASA-N 332.444 2.537 0 50 EFAA Oc1ccc2cc(CN3CCN(C4CCOCC4)CC3)ccc2c1 215578073 WGJQVQHVBMGQMR-UHFFFAOYSA-N 326.440 2.842 0 50 EFAA COc1ccc2o/c(=N\c3ccccc3)c(C(=O)NC(C)=O)cc2c1 13897415 WCLBJFVEJNLEQG-VZCXRCSSSA-N 336.347 2.950 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@H](c2ccncc2)C1 496315577 VLHMDSDIMJSYCW-HZPDHXFCSA-N 345.443 2.797 0 50 EFAA C[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1cn2ccsc2n1 71780076 RRNBVJZSCAKSLY-JTQLQIEISA-N 340.412 2.615 0 50 EFAA O=C(O)c1cccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1 238201117 OUWIFQZSLVFLGE-SFHVURJKSA-N 339.391 2.859 0 50 EFAA Cc1cc(C)nc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)n1 72410320 FGLQXMJOWXEVHV-UHFFFAOYSA-N 345.374 2.735 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)n1 179359333 FMDHFFVCTIRKEB-AWEZNQCLSA-N 325.416 2.714 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1c(C)noc1C 82148315 JNORBLUZFSCXAV-MRXNPFEDSA-N 330.432 2.938 0 50 EFAA Cc1ccccc1N1C[C@@H](C)N(C(=O)CCc2ccncc2)CC1=O 82092681 OIYWGHIXUOTHSP-MRXNPFEDSA-N 337.423 2.587 0 50 EFAA COc1cccc(OC)c1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 291640744 VRCZKANXMYBNBH-LBPRGKRZSA-N 335.791 2.641 0 50 EFAA CCCc1cc(C(=O)N2CCC(OCc3cccnc3)CC2)n(C)n1 82106077 VIQLCXSZFRCLHP-UHFFFAOYSA-N 342.443 2.589 0 50 EFAA Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc(C)n1 82314986 YEGRWRGETACSMW-UHFFFAOYSA-N 330.819 2.709 0 50 EFAA CCOC[C@@H](O)CNC(=O)c1cccc(-c2ccc(F)cc2C)c1 426511949 BLBBGZVZIYDTPP-KRWDZBQOSA-N 331.387 2.928 0 50 EFAA Cc1ccc2nc(O)cc(C(=O)N3CCC[C@@H](c4ncon4)C3)c2c1 426658460 QJZOWBSFNMNUFV-GFCCVEGCSA-N 338.367 2.652 0 50 EFAA Cc1nn(CC(=O)N[C@@H](C)C2=CCCCC2)c(=O)c2ccccc12 91270006 ILCZWILYTKTBHD-ZDUSSCGKSA-N 325.412 2.710 0 50 EFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1cn2ccsc2n1 95353380 YORMMLMZWFNWRD-GFCCVEGCSA-N 331.445 2.636 0 50 EFAA O=C(c1ccc[nH]1)N1CCC(c2nccn2Cc2cscn2)CC1 91526700 VPCWXOGTWIOYNX-UHFFFAOYSA-N 341.440 2.736 0 50 EFAA OCc1nc(N[C@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 95370706 SBODCZYIMVNEAH-AWEZNQCLSA-N 343.814 2.791 0 50 EFAA CCN(CC)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1 91644278 FKEJAUYOSSZUJG-QFBILLFUSA-N 343.471 2.616 0 50 EFAA COC(=O)C[C@H](NC(=O)Nc1ccnnc1)c1ccc(SC)cc1 297428592 ODSBGDCIGQQELY-AWEZNQCLSA-N 346.412 2.624 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 244708156 KOSZATPLVBFTCU-YRRQLQLVSA-N 349.408 2.695 0 50 EFAA CN(C)C(=O)c1ccc(N2CC=C(c3ccc(F)cc3)CC2)nn1 298206821 IOWAQSBLCGQNFD-UHFFFAOYSA-N 326.375 2.611 0 50 EFAA COc1ccc(NC(=O)CN(C)[C@@H](C)Cc2cnccn2)cc1Cl 244678840 ILDJYENHAREMDR-LBPRGKRZSA-N 348.834 2.640 0 50 EFAA CCOc1ccccc1NC(=O)CCN1CC(n2nc(C)cc2C)C1 299790075 BAOMQARYGTVTKL-UHFFFAOYSA-N 342.443 2.784 0 50 EFAA O=C(NCCSc1nc[nH]n1)[C@@H]1CCCc2c1[nH]c1ccccc21 827754675 FUTHXVCUOWZTQD-CYBMUJFWSA-N 341.440 2.614 0 50 EFAA CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1CN1CCCC1 821429352 ZCLNNNLGWJXGNF-GOSISDBHSA-N 331.460 2.772 0 50 EFAA CC(=O)N[C@H](c1nc(-c2ccccc2)nn1CC(C)(C)O)C(C)C 820575366 PFOFFSJGANUCJV-HNNXBMFYSA-N 330.432 2.549 0 50 EFAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCCN1CCOCC1 827802469 OFJFHSBMBXVIKY-GOSISDBHSA-N 342.439 2.640 0 50 EFAA COc1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)n1 952995280 HCDLYEKXGMURNV-AVGNSLFASA-N 347.415 2.817 0 50 EFAA COc1ccc(CCN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1OC 71767451 ZBCPKNCJORIIQP-INIZCTEOSA-N 339.391 2.789 0 50 EFAA N[C@H](CC(=O)N[C@@H](CCO)C1CCCCCC1)Cc1ccccc1 1875277870 LAEREMPFFUVCMH-OALUTQOASA-N 332.488 2.784 0 50 EFAA C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)Cc1ccccc1C(F)(F)F 1875270307 ADFCQHKEXKDNEK-NQBHXWOUSA-N 342.361 2.749 0 50 EFAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1ncc(C2CCC2)o1 1875399884 LJDUXYHSBRCBDA-GXTWGEPZSA-N 329.404 2.754 0 50 EFAA C[C@@H](Cn1cc(-c2cccc(N)c2)nn1)NC(=O)CC1=CCCC1 1875323319 FBPRRNGTVIVFTR-ZDUSSCGKSA-N 325.416 2.532 0 50 EFAA CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c(C)c1 952975142 HIJAUYODUHYBGN-CYBMUJFWSA-N 342.395 2.769 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2cc(C)oc2C)cc1OC 952976375 ZIQBLZVPLXFYEG-UHFFFAOYSA-N 332.356 2.742 0 50 EFAA CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC(c3ccon3)CC2)C12CCC2 888101319 IYUXHLGQDDSAKV-UHOFOFEASA-N 333.432 2.767 0 50 EFAA O=C(NCc1nc2c(s1)COCC2)[C@H]1CCc2ccccc2C1 885968076 ACGFDMCSCWRSIA-AWEZNQCLSA-N 328.437 2.637 0 50 EFAA O=C(N[C@H](CO)c1ccccc1C(F)(F)F)C1(O)CCCCC1 886563268 QKSADQUFOPLFFX-CYBMUJFWSA-N 331.334 2.550 0 50 EFAA O=C(NC[C@@]12CCC[C@@H]1OCC2)c1cc(F)ccc1-n1ccnc1 1776007605 ONJRHLOCZROESE-WMZOPIPTSA-N 329.375 2.700 0 50 EFAA COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1occc1Br 271497307 IOTRLGYSMUHPAJ-OTYXRUKQSA-N 344.205 2.894 0 50 EFAA Cc1cc(=O)c(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c[nH]1 169998134 FZQPVEIKFAFUIJ-UHFFFAOYSA-N 340.423 2.984 0 50 EFAA O=C(O[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)-c1ccccc1CC2 170617070 CPEMBQDVVOWXGW-CYBMUJFWSA-N 348.445 2.858 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](c2ccncc2)C1 408516600 ILUCKICVEYBLRX-HNNXBMFYSA-N 333.432 2.702 0 50 EFAA CC[C@@H](CO)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 225339850 YHYDTVPISDSOLC-NZUILWFCSA-N 330.428 2.562 0 50 EFAA O=C(CCNC(=O)Cc1ccccc1)NC[C@H]1CCCC(F)(F)C1 225707236 GVFSQCMRFWJPSD-HNNXBMFYSA-N 338.398 2.677 0 50 EFAA CC(C)(C)N1C[C@H](N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)CC1=O 188221889 UNKISIVAHXQXRT-ZBFHGGJFSA-N 330.407 2.627 0 50 EFAA Cc1nc(-c2ccccc2)oc1CN1CCS(=O)(=O)C[C@H](C)C1 639612169 IDGFVLNIJBFQLQ-CYBMUJFWSA-N 334.441 2.517 0 50 EFAA O[C@H]1c2ccccc2C[C@@H]1NCc1cnn(Cc2ccc(F)cc2)c1 189211119 HDNIARCGPQUAHS-PMACEKPBSA-N 337.398 2.818 0 50 EFAA Cc1noc(C)c1[C@@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 190737143 IOMKJBMSXREYFL-MEDUHNTESA-N 342.395 2.823 0 50 EFAA Cc1n[nH]nc1C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 194568940 XDTRFDJOCBOCHY-QMMMGPOBSA-N 343.214 2.959 0 50 EFAA CCCOc1cccc2c(N3CCCN(C(N)=O)CC3)ccnc12 194711016 FZYKRVWJRIZQDI-UHFFFAOYSA-N 328.416 2.614 0 50 EFAA O=C(C[C@H]1COCCN1C(=O)[C@@H]1CCc2ccccc21)c1ccco1 677316215 IUJVBHLCHKRCDC-DOTOQJQBSA-N 339.391 2.810 0 50 EFAA CCc1nnc(CNc2ccc(OC)c(N3CCOC3=O)c2)s1 783883559 LBTRXRVWPIRXCP-UHFFFAOYSA-N 334.401 2.678 0 50 EFAA Cc1ccc2ncccc2c1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529120814 LZQBKUDBNZLSQD-IIBYNOLFSA-N 333.435 2.974 0 50 EFAA Cn1ccnc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 1529167064 FDUUAYPOFIRLMK-UHFFFAOYSA-N 346.818 2.564 0 50 EFAA Cc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c1 216415398 VTKPCQNCUJIVNI-CVEARBPZSA-N 325.364 2.641 0 50 EFAA COc1ccc(CC[C@H](C)N2CCC(CO)(CN(C)C)CC2)cc1 1772708207 AMHCCRJRFWDHJE-KRWDZBQOSA-N 334.504 2.652 0 50 EFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21 11363959 FQJFKQDKGYAOAZ-UHFFFAOYSA-N 337.404 2.605 0 50 EFAA Cn1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)cn1 12234419 QPTGCOMCHXURHU-INIZCTEOSA-N 337.420 2.865 0 50 EFAA COC(=O)c1ccc(CN2CC[C@@H](NC(C)(C)C)CCC2=O)cc1 12245377 JGLQQFBMWCHZPH-INIZCTEOSA-N 332.444 2.742 0 50 EFAA CCOc1cccc(C(=O)Nc2ccc(C(=O)NCCOC)cc2)c1 12404346 XQUVRVFBORHSGZ-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA CN(C)Cc1ccc(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)o1 12707423 XMTAHQPWIVSGCS-QGZVFWFLSA-N 346.402 2.564 0 50 EFAA OC[C@@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12710882 FVVPYBGALMZFRU-LBPRGKRZSA-N 327.306 2.712 0 50 EFAA CN1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 13127835 VUDUHDYNPYLZGP-UHFFFAOYSA-N 337.408 2.700 0 50 EFAA CCc1nc(C)c(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)o1 14972594 XRAZEIJDPKQODV-OAHLLOKOSA-N 332.375 2.768 0 50 EFAA CCOc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1 19533291 ALOMGGPPPOBUIC-UHFFFAOYSA-N 338.451 2.972 0 50 EFAA Cc1cc(C)cc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1 19790832 BJQSCPITXWCKMW-FQEVSTJZSA-N 340.467 2.865 0 50 EFAA Cc1nc(CN2CCCN(C(=O)Cc3cccs3)CC2)cs1 165839144 UKNVGHDTJRHHAG-UHFFFAOYSA-N 335.498 2.790 0 50 EFAA C[C@H](NCCc1c[nH]c2cccc(Br)c12)c1ncnn1C 1857530681 GQFVZMZWWRQJMC-JTQLQIEISA-N 348.248 2.952 0 50 EFAA O=C1CCc2c1cccc2C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1857687995 OOOTYMXWSJPXLA-HXUWFJFHSA-N 335.407 2.659 0 50 EFAA Cc1sc2ccccc2c1C(=O)N1CCC[C@@]2(CNC(=O)O2)C1 1857722024 CFKDSWYGHYCOJS-QGZVFWFLSA-N 330.409 2.924 0 50 EFAA COC(=O)c1cccc(S(=O)(=O)Nc2noc3ccccc23)c1C 225528968 FYIDHBMYEBNECM-UHFFFAOYSA-N 346.364 2.724 0 50 EFAA O=C(CCCc1ccccc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 219943568 DKHVNYBUAPEZOT-MOPGFXCFSA-N 340.467 2.869 0 50 EFAA Cc1noc2ncnc(N3C[C@H](O)C[C@@H]3c3ccc(F)c(F)c3)c12 225696106 AZANPVGNMIOVTP-ZWNOBZJWSA-N 332.310 2.517 0 50 EFAA C[C@@]1(C(=O)O)CCCN1Cc1nn(-c2ccccc2)c2c1CCC2 652481438 OUZOBGFKHAMMAD-IBGZPJMESA-N 325.412 2.800 0 50 EFAA O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccccc1 19868223 AOWIGSJRJXBRAZ-QQABJKMWSA-N 338.451 2.873 0 50 EFAA C[C@]1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCC(=O)NC1 377283764 UMPPKOJOOVJARQ-SFHVURJKSA-N 334.847 2.962 0 50 EFAA CCCc1cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc(O)n1 820324719 VPGAMVPLPDAICZ-OAHLLOKOSA-N 343.402 2.888 0 50 EFAA Cc1cnc(OC(C)C)c(NC(=O)N2CC[C@H](c3noc(C)n3)C2)c1 931583248 NLELMKMOVYIVLO-ZDUSSCGKSA-N 345.403 2.890 0 50 EFAA O=C(NC1(C(=O)O)CCCCCC1)c1ncccc1Br 231756220 RTVGBCZBNNLRRS-UHFFFAOYSA-N 341.205 2.752 0 50 EFAA CC(C)(O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]ccc2n1 2325782120 ZMOGQQXHQZRTQE-QGZVFWFLSA-N 341.386 2.814 0 50 EFAA O=C(O)c1ncoc1[C@H]1CCCN(C(=O)C2(c3cccs3)CC2)C1 2325784451 GVKOUOFROFWREX-NSHDSACASA-N 346.408 2.872 0 50 EFAA Cc1c(C(=O)OCc2csc([C@@H]3CCCO3)n2)cnc2ccnn12 2325789047 ANSODTPBVUPIEA-ZDUSSCGKSA-N 344.396 2.703 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCC(=O)N3C3CC3)cc2)c1C 2325792833 PDQNFPAEZGXKFA-QGZVFWFLSA-N 338.411 2.581 0 50 EFAA CC[C@H](NC(=O)[C@@H](n1cc(CNC)nn1)C(C)(C)C)C1CCCC1 2325868560 BAAZSEBNKNIDPS-JKSUJKDBSA-N 335.496 2.670 0 50 EFAA Cc1ccsc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 936230156 FOUUWJMJSQDLPN-GFCCVEGCSA-N 346.456 2.548 0 50 EFAA CCCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O 210783 REZURHJGCPALBP-UHFFFAOYSA-N 337.331 2.622 0 50 EFAA CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 620630 NWIQDOKOHDDBGN-UHFFFAOYSA-N 345.472 2.901 0 50 EFAA CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(c2ccncc2)C1 1208125 QNWMXHNRWGCBJM-SFHVURJKSA-N 325.368 2.547 0 50 EFAA COc1ncccc1C(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1 2027211 IQXOYQQCYITLNZ-LBPRGKRZSA-N 348.786 2.732 0 50 EFAA Cc1cccc(-n2nnnc2SCC(=O)NC2CCCCC2)c1 2646801 WYZPTVAZEIYKLG-UHFFFAOYSA-N 331.445 2.512 0 50 EFAA O=C(N1CCC[C@@]12CCCN(C1CC1)C2=O)C1(c2ccccc2)CC1 2356138959 UDPHCTNDIYYVGK-OAQYLSRUSA-N 338.451 2.864 0 50 EFAA COC1(CN(C)C)CCN(CCOc2ccc(Cl)cc2)CC1 2356141707 MLAGGHFSQXTJIA-UHFFFAOYSA-N 326.868 2.761 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccccc3C(=O)O)C1)CC2 2356156829 SPMVVIHXVPZZJC-HXUWFJFHSA-N 337.423 2.963 0 50 EFAA CSc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 4488111 JQYMDSOHJVGFJZ-UHFFFAOYSA-N 327.409 2.851 0 50 EFAA CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC(C)(C)N1 4553940 CUZDFAGGVFIPNK-RBUKOAKNSA-N 336.476 2.534 0 50 EFAA biogenic C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248092975 LXXOZJIHMYCKNA-SFDCQRBFSA-N 347.411 2.902 0 50 EFAA Cc1c(NC(=O)c2ncccc2O)cccc1C(=O)NC(C)(C)C 55340754 FTGMFWHPQPLNEF-UHFFFAOYSA-N 327.384 2.876 0 50 EFAA Cc1noc([C@@H]2CCCCN2C(=O)c2cc(CC(C)C)nn2C)n1 65396425 NHISNSFYDVZITO-AWEZNQCLSA-N 331.420 2.677 0 50 EFAA O=S(=O)(c1ccc2ccccc2c1)N1CCC2(CCNCC2)C1 67868116 LCWJIBXFXMBNOH-UHFFFAOYSA-N 330.453 2.604 0 50 EFAA CC(C)c1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)n[nH]1 23373092 AZHDJHDLWIAHQY-IBGZPJMESA-N 348.535 2.982 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)N1CCCC[C@H]1c1nccs1 115366510 MCLOCUHMKCBJLA-ZDUSSCGKSA-N 343.408 2.805 0 50 EFAA CN(CCC1(O)CCCC1)C(=O)c1cc(COc2ccccc2)[nH]n1 67885010 WQFBUKFCHQJLJK-UHFFFAOYSA-N 343.427 2.756 0 50 EFAA COC(=O)c1c(NC(=S)NCc2ccncc2)sc2c1CCC2 6288202 HWGVUDYVFKXNNC-UHFFFAOYSA-N 347.465 2.905 0 50 EFAA COCC(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67688604 PUUZZJGIOQICTR-UHFFFAOYSA-N 327.380 2.735 0 50 EFAA CN1CCn2nc(C(=O)NC3c4ccccc4-c4ccccc43)cc2C1 65432114 JIKPMUWWZKAYQW-UHFFFAOYSA-N 344.418 2.828 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1 252509227 YGQAYDATOUQUEB-UHFFFAOYSA-N 345.424 2.533 0 50 EFAA CCN(CC)C(=O)c1nc(CC(C)C)nn1-c1ccc2c(c1)OCO2 65508609 CDGOFFARGQVCRE-UHFFFAOYSA-N 344.415 2.677 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCN1CCN(C[C@@H](O)C(C)(C)C)CC1 229458558 RJPUSHUHWOZCOJ-FGTMMUONSA-N 326.525 2.606 0 50 EFAA Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]n2C)ccn1 359509633 QAUSVNLFEHGSHN-UHFFFAOYSA-N 327.775 2.513 0 50 EFAA CC(C)c1cnc(CN[C@@H]2CCCN(c3nccnc3O)C2)s1 328639805 PPFGDPQWXVSCMM-GFCCVEGCSA-N 333.461 2.521 0 50 EFAA COc1ccc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)nc1 360395827 PZQRXLRRROBXAI-LBPRGKRZSA-N 338.367 2.674 0 50 EFAA COc1cccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1 39500609 GGSPZGBUXUZIED-QGZVFWFLSA-N 346.496 2.826 0 50 EFAA C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)C1 328644062 RPJZBZRWINYSRA-PBHICJAKSA-N 330.476 2.684 0 50 EFAA Cc1nc(-c2ccncc2)nc(N2CCC[C@@H](c3nc[nH]n3)C2)c1C 363602267 KGFGTRLIBLKKNJ-OAHLLOKOSA-N 335.415 2.658 0 50 EFAA Nc1n[nH]c(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)c1Cl 216124200 CKANVCMEWAEEAS-ZDUSSCGKSA-N 345.765 2.699 0 50 EFAA C[C@H](CN1CC2(CCN(CCC(=O)O)CC2)OC1=O)c1ccccc1 77454149 NFRTXUKKLOPSKZ-OAHLLOKOSA-N 346.427 2.552 0 50 EFAA CCO[C@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C1 457877321 LKFKTMWWZJAQKJ-MAEOIBBWSA-N 326.396 2.958 0 50 EFAA O=C(c1cccc2cnccc12)N1CCCC[C@H]1CN1CCOCC1 73092731 MTTDEWMEDNGZPH-KRWDZBQOSA-N 339.439 2.562 0 50 EFAA Cc1ccc2c(C(=O)N3CCC4(CC3)CNC(=O)N4C)csc2c1 333473260 OCAOUJZOJMDDJP-UHFFFAOYSA-N 343.452 2.840 0 50 EFAA CC(C)c1cc(NCCn2ncc3ccccc3c2=O)n2nccc2n1 72125666 RABHLZLNXXKDMB-UHFFFAOYSA-N 348.410 2.675 0 50 EFAA CCn1nc(CN2CCC3(CCC3)S(=O)(=O)CC2)c2ccccc21 333948042 WABVSSWZAVXHOY-UHFFFAOYSA-N 347.484 2.599 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CC2)c1 237995948 ZDSITEDPSRBCLW-MRXNPFEDSA-N 344.411 2.895 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 77374899 XPYKEVRFKAQLFC-LJQANCHMSA-N 329.444 2.802 0 50 EFAA O=C(Cc1ccccc1O)N1CCC([C@@H](O)Cc2ccccc2)CC1 77300949 MWFAFWBEAJWGEU-FQEVSTJZSA-N 339.435 2.777 0 50 EFAA CO[C@@H](C)CN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 286625378 UVFQUHOZGXKXJY-ZDUSSCGKSA-N 339.457 2.510 0 50 EFAA COc1cc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)ccc1C 287106380 XPPPQIKDSSUPPJ-QGZVFWFLSA-N 343.427 2.635 0 50 EFAA O=C(c1ccnnc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 133962110 YCHJCTLRAUCHTD-SNVBAGLBSA-N 342.346 2.972 0 50 EFAA Fc1ccc2cnc(N3CCC(N[C@H]4C[C@@H]5OCC[C@H]45)CC3)nc2c1 222774933 BJAGFVJTBJUKHV-NJAFHUGGSA-N 342.418 2.505 0 50 EFAA COC(=O)c1cc(F)c(F)cc1NCc1csc(NC(C)=O)n1 176959086 KJFDYMKQSKENMD-UHFFFAOYSA-N 341.339 2.778 0 50 EFAA CN(C)[C@@H](C(=O)NCCC12CCCN1CCC2)c1cccc(F)c1 222502080 IUHDQPJYVCEMME-QGZVFWFLSA-N 333.451 2.563 0 50 EFAA Fc1cccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 195520649 UQLNVIYTCYOZRV-CQSZACIVSA-N 330.407 2.622 0 50 EFAA 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O=S(=O)(Cc1ccc(Cl)cc1Cl)N[C@@H]1CCCOCC1 181715589 XNXXSMZRJGXECT-GFCCVEGCSA-N 338.256 2.982 0 50 EFAA COCO[C@H]1C=C([C@]2(O)C[C@H]3C(C)=C(OC)[C@H]2CC3(C)C)OCC1 257355989 FBMDXLIXSVJDPB-GJRWTSMGSA-N 338.444 2.997 0 50 EFAA O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N[C@]1(CO)CCOC1 184332900 GFGHSBKWHXDVSV-SFHVURJKSA-N 348.349 2.905 0 50 EFAA Cn1cc(-c2cc(CN3CCO[C@H](c4ccsc4)C3)on2)cn1 185023033 ZHTQVUNJJIZPGP-INIZCTEOSA-N 330.413 2.710 0 50 EFAA COc1ccc(S(=O)(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1Cl 295218995 AWYZEXXDWPWOIZ-LLVKDONJSA-N 347.864 2.520 0 50 EFAA Cc1ccnn1CCC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 299764795 LOTFMLXFQOSSFV-UHFFFAOYSA-N 345.834 2.860 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)n1C(F)F 299765217 KLKRIRRUFHXJSM-GFCCVEGCSA-N 327.375 2.568 0 50 EFAA COc1ccccc1CN(c1cc([C@@H]2CCOC2)nc(N)n1)C1CC1 299793724 JKCDLFBFTCZWHH-CQSZACIVSA-N 340.427 2.740 0 50 EFAA Cc1ncn(CCNC(=O)N(C)CCSc2ccccc2)c1C 670464052 MZQKGWJICFOWDH-UHFFFAOYSA-N 332.473 2.934 0 50 EFAA Cc1ccc([C@@H]2[C@H](C)CN2C(=O)c2cccc(-n3cncn3)n2)cc1 1875278614 PSJJATKNPNRLAP-KDOFPFPSSA-N 333.395 2.804 0 50 EFAA Cc1nc(CN(C)c2ncnc3scc(Br)c23)n[nH]1 1875275427 RNVZONAJDRIZQQ-UHFFFAOYSA-N 339.222 2.517 0 50 EFAA CC(C)Cc1cc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)n[nH]1 952991360 OMNWXBPNVCCTPO-JTQLQIEISA-N 327.388 2.790 0 50 EFAA CCc1nccn1CCC(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 952967332 AQVUEFOETHTQDJ-AWEZNQCLSA-N 340.427 2.990 0 50 EFAA NCCc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 952986235 FZXCOSWPPGYXKS-LJQANCHMSA-N 340.423 2.998 0 50 EFAA C[C@H](CN(C)Cc1cc2ccc(Cl)cc2nc1O)N1CCOCC1 952967768 BSJGDYDROBLCAR-CYBMUJFWSA-N 349.862 2.746 0 50 EFAA O=C(NCc1ccc(Cl)cc1F)[C@@H]1CCCO[C@H]1c1ncc[nH]1 888076108 ZOOYXSOOJQDFKG-TZMCWYRMSA-N 337.782 2.986 0 50 EFAA CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCC(c3ccon3)CC2)C12CCC2 888101318 IYUXHLGQDDSAKV-DAXOMENPSA-N 333.432 2.767 0 50 EFAA COc1ccc(COCC(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1 1772897538 NAEOHDHMDUYBQU-UHFFFAOYSA-N 329.278 2.592 0 50 EFAA CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@H](F)[C@H](F)C2)cc1 1425174197 NJORVCKTTLCNTK-OKILXGFUSA-N 325.359 2.596 0 50 EFAA Cc1cc(O)nc(N2CCC[C@H](NC(=O)O[C@H](C)CC(C)C)C2)n1 1364959675 HHHCQLZORRTFAZ-KGLIPLIRSA-N 336.436 2.620 0 50 EFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1 275642814 OLWHAVSYJSJQIX-KBMXLJTQSA-N 328.416 2.793 0 50 EFAA Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 170593887 JWXXHXZWFGBDAH-UHFFFAOYSA-N 346.456 2.679 0 50 EFAA CC(=O)OCCCc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)c1 170609619 PDPOXIWEEBVJQY-SJORKVTESA-N 334.416 2.607 0 50 EFAA CC[C@@H](C(=O)NCc1cccc(CN2CCC(C)CC2)c1)C(=O)OC 170611159 YKZCWMKCBZZIMG-SFHVURJKSA-N 346.471 2.734 0 50 EFAA CCCN1Cc2cccc(NC(=O)c3ccc(-n4cncn4)nc3)c2C1 171028438 BWXBJXFRGNLJOX-UHFFFAOYSA-N 348.410 2.640 0 50 EFAA Cn1cccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280115823 RVHMKTPBPDYARX-IAQYHMDHSA-N 338.329 2.992 0 50 EFAA COC(=O)c1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 171610816 LOKSAHQAEVTHOO-UHFFFAOYSA-N 338.407 2.963 0 50 EFAA Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CN1CCCCCCC1=O 186636322 KFDJOXBPBKDVQQ-KRWDZBQOSA-N 329.444 2.555 0 50 EFAA COc1ccccc1OCC(=O)N1CC[C@]2(C1)OCc1ccccc12 186989412 BDHOMUKEYPKLNO-HXUWFJFHSA-N 339.391 2.732 0 50 EFAA O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1c1cc(N2CCSCC2)ncn1 408172289 UYHWRQVCOXAOPG-HRCADAONSA-N 348.516 2.550 0 50 EFAA CCCC(=O)NCCCCN1CCCN(C(=O)OC(C)(C)C)CC1 408516125 RATDZDTUGIDMRM-UHFFFAOYSA-N 341.496 2.626 0 50 EFAA CC1=NO[C@@H](CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 408522593 JZIURTPFHZWADO-CQSZACIVSA-N 338.411 2.564 0 50 EFAA COCC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 408520480 HPJBNMSMLSVZRD-HNNXBMFYSA-N 340.464 2.517 0 50 EFAA COc1ccc(Br)cc1S(=O)(=O)CC[C@@H]1CCCO1 188937507 FNNNYTRIMCFROP-NSHDSACASA-N 349.246 2.801 0 50 EFAA CO[C@]1(c2nnc(COc3cccc(Cl)c3F)o2)CCOC1 643648921 BHZYHRFUNKTTQH-CQSZACIVSA-N 328.727 2.703 0 50 EFAA CC(C)(CC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)C1CC1 645462688 SSWDKCMNFNJCLD-UHFFFAOYSA-N 328.456 2.858 0 50 EFAA O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1OCCc2ccccc21 653327948 BNXPWFWOJMLESD-SQNIBIBYSA-N 337.375 2.730 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cncn2C)cc1 809403697 FEBXLIWYGNFGQT-MRXNPFEDSA-N 338.411 2.912 0 50 EFAA COc1ccc(OCCCN2CCN(c3cccnc3)CC2)cc1 1506395763 MNEKKAYIRDEDPG-UHFFFAOYSA-N 327.428 2.681 0 50 EFAA CC1(C)[C@H]2CC=C(CN3CCCN(C(=O)C4CCOCC4)CC3)[C@@H]1C2 1529161636 NHFOYULOJKMZSQ-OALUTQOASA-N 346.515 2.940 0 50 EFAA Cc1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)c(O)n1 1704297664 CPCQECQRHYINTP-UHFFFAOYSA-N 344.436 2.861 0 50 EFAA Cc1cc(=O)oc2cc(NC(=S)N3C[C@H](C)O[C@H](C)C3)ccc12 18118996 WELWMTAHJIYHKP-TXEJJXNPSA-N 332.425 2.907 0 50 EFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccc(C)o1)C2 19145371 ODQNCNHJMBNQNU-CQSZACIVSA-N 344.459 2.543 0 50 EFAA Cc1cccnc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857670818 DIKHRUDNQHDMOJ-UEXGIBASSA-N 336.435 2.988 0 50 EFAA O=C(c1ccc[nH]1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857686501 ZFIPXUFJBPWFCA-IBGZPJMESA-N 338.411 2.508 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCCc2c1c(C)nn2C 1857688341 DTBLANQMEAUSIE-OAHLLOKOSA-N 343.475 2.951 0 50 EFAA Cn1nc2c(c1-c1ccccc1)CCN(C[C@@H]1CCCOC1)CC2 1857699163 PYZPSYAOUBFNNY-INIZCTEOSA-N 325.456 2.914 0 50 EFAA O=C(O)CN1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857741391 QIZYKKUZTSDTGC-GOSISDBHSA-N 346.471 2.643 0 50 EFAA C[C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC[C@H]1C 408023543 SADXVDLZMJCWBI-HOSILWTGSA-N 335.469 2.889 0 50 EFAA O=C1CCCCN1CC1CCN(c2ccc(OC(F)F)cn2)CC1 225595204 WPWADTJZCWWNGG-UHFFFAOYSA-N 339.386 2.912 0 50 EFAA O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1ccco1 116353020 DHDBESDRSWSQJY-AWEZNQCLSA-N 349.408 2.967 0 50 EFAA COc1ccc2c(CC(=O)NCc3nn(C)cc3Cl)coc2c1 452748817 LQGIWCZMUIQRIH-UHFFFAOYSA-N 333.775 2.687 0 50 EFAA COC(=O)CC(C)(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 252482862 DPHMBUHTTGCYIO-CYBMUJFWSA-N 329.400 2.639 0 50 EFAA COc1cc(OC)cc([C@H]2CCN(C(=O)CC(C)(C)C(=O)O)C2)c1 367391416 CNVUQWINBSVKFY-LBPRGKRZSA-N 335.400 2.521 0 50 EFAA O=C(NCc1cccc(F)c1F)NCc1nncn1-c1ccccc1 1222416955 OUUZTHNRUCUGKQ-UHFFFAOYSA-N 343.337 2.545 0 50 EFAA Cc1noc(C[C@H]2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1 931038344 HLRZTSRGUGSXRI-YPMHNXCESA-N 348.369 2.929 0 50 EFAA CN(Cc1csc(C(C)(C)O)n1)C(=O)[C@@H]1CCc2ccccc2O1 839788908 QPJPPBIRLQZNHQ-HNNXBMFYSA-N 346.452 2.723 0 50 EFAA CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 90793 KXTMXPMVCQEPKV-CQSZACIVSA-N 339.395 2.780 0 50 EFAA CO[C@H](CC(C)C)CN1C[C@@H](c2ccc(F)cc2)CS1(=O)=O 2325765071 XKPCUZLPQKOCKH-GDBMZVCRSA-N 329.437 2.616 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2cnc(C(C)(C)C)s2)CC1 2325788285 WPJCVCLFMCOXEU-ZDUSSCGKSA-N 326.462 2.752 0 50 EFAA Cn1ncc(C(=O)N[C@H]2C[C@@H](O)c3ccccc32)c1Cc1ccccc1 2325840563 GKVGGZODKLOINP-AZUAARDMSA-N 347.418 2.919 0 50 EFAA Cc1c(F)cccc1C(=O)N1CC[C@H]([C@@H]2CCCN2C(=O)C2CC2)C1 2325875004 CXXXLDZDKHEQSU-YJBOKZPZSA-N 344.430 2.997 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2=O)cc1 1433973709 KBYCNZDCZJAWLN-UHFFFAOYSA-N 334.419 2.973 0 50 EFAA Cc1cc(-c2ccccc2)nc2cc(C(=O)NC[C@H]3CCCO3)nn12 61375 QLYVSNSNGOCHQF-OAHLLOKOSA-N 336.395 2.614 0 50 EFAA CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccnc3)N2C1=S 187570 KLPHMPVHSQYCSI-RDJZCZTQSA-N 348.431 2.636 0 50 EFAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(C)c2)C1 254767 KJXSQUDNJGJYFJ-MRXNPFEDSA-N 332.444 2.907 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(F)cc1 309585 AHTVYADCIJJWIN-UHFFFAOYSA-N 332.356 2.959 0 50 EFAA CCOc1cc(C(=O)O)cc(I)c1OCC 479872 BHDWDOUDDPRZBW-UHFFFAOYSA-N 336.125 2.787 0 50 EFAA O=C(Nc1ccccc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 4840549 AUQBMWSBKJDJJE-KRWDZBQOSA-N 344.436 2.908 0 50 EFAA CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(Cl)c2)c1 6680272 RBAUZYSKMBUAPJ-UHFFFAOYSA-N 344.845 2.904 0 50 EFAA CCOc1cc(S(=O)(=O)n2ccnc2CC)c(OCC)cc1C 7425060 ZNRWQONMADKNIE-UHFFFAOYSA-N 338.429 2.788 0 50 EFAA CC(C)[C@@H](C)N(C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1 172778839 VFWAPCQFIKJSBQ-NVXWUHKLSA-N 343.471 2.969 0 50 EFAA COc1cc(OC)c(NC(=O)CSc2nnc(C)o2)cc1Cl 9426736 QERXBRSFIRBFQT-UHFFFAOYSA-N 343.792 2.779 0 50 EFAA COc1ccc2nc(C(=O)Nc3cnn(CC(F)F)c3)ccc2c1 116837731 BJZMGVWYORLKKN-UHFFFAOYSA-N 332.310 2.957 0 50 EFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(C)c1 100395453 HSXSHJSGWYFXHH-USJZOSNVSA-N 340.423 2.663 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)N(C)Cc3ccncn3)s2)cc1 63855912 ONWNXVZPQBEPHT-UHFFFAOYSA-N 340.412 2.967 0 50 EFAA CN(Cc1ccccc1)Cc1nnc2sc(-c3ccncc3)nn12 65364281 LZGYALSPLBHQGV-UHFFFAOYSA-N 336.424 2.880 0 50 EFAA COc1ccc(-c2c(C)nn(-c3nnn[nH]3)c2C)c2ccc(C)nc12 67677150 QYMOHASPCLHXKV-UHFFFAOYSA-N 335.371 2.534 0 50 EFAA Cn1ncc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1-c1ccccc1 23619130 XEBDUWNHAPAXOI-MRXNPFEDSA-N 349.438 2.550 0 50 EFAA NC(=O)N1CCC[C@@H]1COC(=O)c1cccc2c3c([nH]c12)CCCC3 118903783 XEXLISBNEYFYBC-GFCCVEGCSA-N 341.411 2.747 0 50 EFAA Cc1noc2c1[C@@H](c1cc(Cl)ccc1OCC(=O)O)CC(=O)N2 65370897 NHJVHZGHXSHUSW-SNVBAGLBSA-N 336.731 2.574 0 50 EFAA COc1ccc(-c2nc(CN3CC[C@H](O)C3)c(C)o2)c(OC)c1C 67867339 BMNXVUOZNJGCET-ZDUSSCGKSA-N 332.400 2.542 0 50 EFAA Cc1nnsc1C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 67688559 ZXPBVMMOUJKZAK-INIZCTEOSA-N 344.484 2.674 0 50 EFAA CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2nccn(C)c2=O)o1 121202702 JBDGMDGNWLNCBN-OCCSQVGLSA-N 344.415 2.941 0 50 EFAA COc1cc(OC)cc([C@@H](NCc2ccn(C)c2)c2nccn2C)c1 123086045 YUQNUFCVSDGBSY-GOSISDBHSA-N 340.427 2.655 0 50 EFAA COCCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 253397702 UBIIYWKZSBGYTR-CQSZACIVSA-N 338.496 2.907 0 50 EFAA CCOC(=O)c1c(NC(=O)Cc2cnn(C)c2)sc2ccccc12 253424826 IWJHTZWPRVNMLH-UHFFFAOYSA-N 343.408 2.993 0 50 EFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H]3CCOC3)cc2)cc1 253416864 FQKNSHMNPLVWMR-QGZVFWFLSA-N 347.436 2.988 0 50 EFAA Cc1ncc(CN2CC[C@@H](NC(=O)c3cscn3)[C@@H](C)C2)s1 253425396 IXZMLPORRTXYGG-GXFFZTMASA-N 336.486 2.548 0 50 EFAA CN(Cc1ccnn1C)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2803893 PPKSHSJDHGJUMY-LBPRGKRZSA-N 330.432 2.831 0 50 EFAA O=C1N(CC2CCOCC2)C(O)=N[C@@]1(c1ccccc1)C(F)(F)F 330442335 FCWGCNARKMGMFB-OAHLLOKOSA-N 342.317 2.627 0 50 EFAA Cn1ncc(C(=O)NC[C@@H](CO)c2ccccc2)c1Cc1ccccc1 444994906 FQGZYOOBBHRZIB-SFHVURJKSA-N 349.434 2.517 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccccc2F)=NO1 6738407 FPQAGWXSYBTLHC-MRXNPFEDSA-N 342.326 2.744 0 50 EFAA O=C(C[C@H](O)c1cccc(F)c1)N1CCOc2cccc(F)c2C1 367292122 PKHGBJZPDIFLJD-INIZCTEOSA-N 333.334 2.810 0 50 EFAA CCCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12 154333662 YPNSQJHXUQJCMT-UHFFFAOYSA-N 348.424 2.590 0 50 EFAA CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1Cn1cncn1 363527377 JWYOGEUYCQWGII-ZDUSSCGKSA-N 333.367 2.512 0 50 EFAA CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 75533721 JNRCJLIIQSDFRO-HNNXBMFYSA-N 343.427 2.845 0 50 EFAA Cc1cc(N2CCCN(Cc3cnc(N(C)C)s3)CC2)ccn1 72134445 VWHWOOQIFBXQOO-UHFFFAOYSA-N 331.489 2.625 0 50 EFAA Cn1ccnc1[C@@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 368435306 RTFGGTUGLGQPRD-HNNXBMFYSA-N 326.400 2.724 0 50 EFAA CC(C)(C)c1cc(CN2CCN(CCOc3ccccc3)CC2)[nH]n1 72463270 WWLSQZFCGJAPOE-UHFFFAOYSA-N 342.487 2.904 0 50 EFAA CCOC(=O)c1csc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n1 450400093 FLMAMNSDHTURMI-JSGCOSHPSA-N 336.388 2.771 0 50 EFAA COc1cccc(CN2CC3(CCN(CCCF)CC3)CC2=O)c1 77542269 VEAUKXVMYWBTJA-UHFFFAOYSA-N 334.435 2.869 0 50 EFAA Cc1nnnn1CCCN1CCC[C@H](CCc2ccccc2F)C1 72151878 NVKDEPQCVAAZNF-MRXNPFEDSA-N 331.439 2.856 0 50 EFAA Cc1noc(C)c1COc1cccc(C(=O)N(C)CC(C)(C)CO)c1 452914429 HUWQYABZCWVRJH-UHFFFAOYSA-N 346.427 2.961 0 50 EFAA COC(=O)c1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)nn1 131761394 APAAOJWFSNTXNT-LLVKDONJSA-N 333.775 2.574 0 50 EFAA Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12 13642153 UDABTMQTUGWUIU-UHFFFAOYSA-N 329.381 2.732 0 50 EFAA CCCc1noc(CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1 340278308 FKSHBCIELRBPOP-NSHDSACASA-N 334.386 2.775 0 50 EFAA COC(=O)c1c(CC(=O)N2C[C@@H](C)CCC[C@@H]2C)[nH]c(C(C)=O)c1C 134013536 KLJLRSJIYGFIAN-RYUDHWBXSA-N 348.443 2.892 0 50 EFAA CCc1nccn1CC(=O)NCCc1nc(-c2ccccc2)cs1 221319378 PUEXOEWUDGAQCF-UHFFFAOYSA-N 340.452 2.928 0 50 EFAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCSCC1 426471579 ODLTVPDXCWDIMA-KRWDZBQOSA-N 333.501 2.972 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 178992124 FTRVGBZTWRFSHL-NILFDRSVSA-N 326.362 2.877 0 50 EFAA CCOc1ccc(I)nc1Br 220297508 LBKRJZFNZIRLRU-UHFFFAOYSA-N 327.947 2.847 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)n(C)n1 82136746 IOJSSVKVZAZJQQ-LBPRGKRZSA-N 333.436 2.691 0 50 EFAA CCOc1ncccc1C(=O)N1CCCN(c2ccncc2C)CC1 82120278 LMUQCFNMGPQGDK-UHFFFAOYSA-N 340.427 2.536 0 50 EFAA Cn1ccn2ncc(C(=O)NCc3csc(-c4cccs4)n3)c12 97529062 DAPZVHIQWOTOOH-UHFFFAOYSA-N 343.437 2.788 0 50 EFAA Cn1cc([C@H]2CN(C(=O)N[C@H]3CCCc4ccccc43)CCO2)cn1 267595813 KQJJSCOSDZHFOU-ZWKOTPCHSA-N 340.427 2.581 0 50 EFAA COc1cc2c(cc1CNC(=O)[C@@H]1CC(=O)OC13CCCC3)CCC2 97307533 FCDBZABQOGWUNF-INIZCTEOSA-N 343.423 2.676 0 50 EFAA Cc1cc(F)cc(NC(=O)NCC2(N3CCN(C)CC3)CCCC2)c1 97785179 UGXQZPPBMYCQPI-UHFFFAOYSA-N 348.466 2.816 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2cccc(OC)c2C)C1 92080561 SQMIIARHXLDXTE-LJQANCHMSA-N 349.427 2.737 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2noc(C3CCC3)n2)cc1 244774163 POYBGQYXZASVMP-CQSZACIVSA-N 342.443 2.955 0 50 EFAA Cc1cc(C)n2nc(C(=O)N[C@H]3COC4(CCCCC4)C3)cc2n1 244840338 ULGCWSZULXATKD-CQSZACIVSA-N 328.416 2.568 0 50 EFAA C[S@](=O)c1ccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cc1 299744266 ROOAZVIAQOGLLZ-IXFSTUDKSA-N 330.453 2.829 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 299740603 ALUJYPDHJQRNMM-IKGGRYGDSA-N 331.412 2.786 0 50 EFAA O=C(CCc1ccncc1)N1CCCN(C(=O)CC2CCCC2)CC1 369104260 GOAOLVAJYMWZJP-UHFFFAOYSA-N 343.471 2.655 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(CCO)Cc2ccccc2Cl)n1 299791413 COJMBYMNBCFLII-OAHLLOKOSA-N 347.846 2.941 0 50 EFAA O=C(c1ccco1)N1CCC2(CC1)CN(C[C@H]1CC=CCC1)CCO2 828188985 RDTWXLRTTZHKJZ-KRWDZBQOSA-N 344.455 2.943 0 50 EFAA CC(=O)NCCCc1nc(COc2ccc(F)cc2)nn1C(C)C 820581149 JQWCPJRYYMPLIW-UHFFFAOYSA-N 334.395 2.646 0 50 EFAA Cc1ncsc1C(=O)N[C@H](CCn1cncn1)c1ccccc1 584895421 SHTADODXONHFQE-CQSZACIVSA-N 327.413 2.604 0 50 EFAA CC(=O)Nc1nc2cnc(NC3([C@@H]4CCCO4)CCC3)nc2s1 1875404463 JSEDCBYKKMTEPF-NSHDSACASA-N 333.417 2.558 0 50 EFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)Cc3c(F)cccc3F)C2)o1 952890885 LXMVITQTCXYONG-NEPJUHHUSA-N 335.354 2.726 0 50 EFAA COc1nscc1CN(C)CCC(=O)N1CCc2ccccc2C1 952995665 UITQTKWDPJFPST-UHFFFAOYSA-N 345.468 2.559 0 50 EFAA C[C@H](NC(=O)Cn1cc(C(=O)O)cn1)c1ccc(C(F)(F)F)s1 1875272671 IVCLRSIQHJTCGA-ZETCQYMHSA-N 347.318 2.539 0 50 EFAA CC(C)n1ccnc1CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2 1875279470 KSWHNSWMCQPGJE-UHFFFAOYSA-N 326.400 2.621 0 50 EFAA Cc1cc(C)c2cc(NC(=O)C34CC(CN)(C3)O[C@H]4C)ccc2n1 1875287763 YKKUSQQAVBSDTD-MDAWKPQNSA-N 325.412 2.687 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952966050 VJMFWUUMKDKGLG-GFCCVEGCSA-N 341.415 2.538 0 50 EFAA CC(C)Oc1ncc(C(=O)NCC2(C3(O)CCC3)CC2)cc1Cl 887526632 KHYKVKOQQMKKKY-UHFFFAOYSA-N 338.835 2.947 0 50 EFAA CC[C@@H](O)[C@H](C)NC(=O)c1c(F)cc(Br)c(F)c1F 1775998630 FKVAFVAFAAMANU-YLWLKBPMSA-N 340.139 2.756 0 50 EFAA O=C(CCCc1cccs1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565509373 OQUYXTOYZIEGTM-HOTGVXAUSA-N 346.452 2.819 0 50 EFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C[C@@H]2CCCCO2)CC1 275901569 IMVBPTIDKVTBHB-MOPGFXCFSA-N 345.487 2.854 0 50 EFAA CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ncccc1F)C(=O)N2 668534687 YGULNJHZXRLHLL-GFCCVEGCSA-N 327.359 2.639 0 50 EFAA COC(=O)[C@]1(C)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C[C@H]1C 282146355 IJABTKXQGSIMTK-ANRSDYALSA-N 345.226 2.847 0 50 EFAA CC(C)Oc1cncc(C(=O)N2CCOc3cc(O)ccc3C2)c1 672242819 PJCYKVZIRQUNQA-UHFFFAOYSA-N 328.368 2.609 0 50 EFAA Cc1n[nH]cc1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 408514717 TVTZRQNMZYPVAQ-ZDUSSCGKSA-N 328.199 2.878 0 50 EFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nncn2C)C1 195084569 DSOKCNQCFUEWOX-UKRRQHHQSA-N 330.407 2.539 0 50 EFAA O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 461358 XPLBCYRLGJHYJQ-IZZDOVSWSA-N 336.391 2.811 0 50 EFAA CCN(C(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1)c1ccccc1 12138860 YZYLIFLUHDJFRM-OUKQBFOZSA-N 338.363 2.933 0 50 EFAA CSc1ncccc1C(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12206143 RQNAOTFFOZVMLN-ZDUSSCGKSA-N 347.484 2.857 0 50 EFAA COc1cccc(-c2nc(C(=O)NC3CC3)nn2-c2ccccc2)c1 13568907 RRRFGGDDVBYVBS-UHFFFAOYSA-N 334.379 2.835 0 50 EFAA COc1ccc(OC)c(-c2cnc([C@@H]3CC(=O)N(C(C)C)C3)[nH]2)c1 200590985 YWOBLGGDXGSRCS-GFCCVEGCSA-N 329.400 2.818 0 50 EFAA O=C(NCCc1ccccc1Br)N[C@H]1C[C@H]2CC[C@@H]1O2 1857530059 GNMUKACYMBRGDE-XBFCOCLRSA-N 339.233 2.611 0 50 EFAA COc1ccc2cc(-c3nccn3C[C@H]3CCOC3)c(O)nc2c1 1857686989 MBIPOBMGJZMXAK-GFCCVEGCSA-N 325.368 2.849 0 50 EFAA O=C(c1ccc[nH]1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857736430 OQLGEBBFNGRJJU-OALUTQOASA-N 339.439 2.693 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1 120417126 HFQIDGHSCXPIFK-ABAIWWIYSA-N 332.787 2.631 0 50 EFAA O=C(NCc1ccnc(OC2CCCC2)c1)N[C@H]1CCO[C@H]1C1CC1 253397650 DSKZBRNKTPGEPA-WMZOPIPTSA-N 345.443 2.770 0 50 EFAA CC(C)[C@@H](CO)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 156008795 NSJBBBWEIQBMQH-PWSUYJOCSA-N 340.292 2.884 0 50 EFAA COc1cccc([C@H](C)NC(=O)NC[C@H](O)c2cccc(OC)c2)c1 264682020 AXGBGAQLJDPZFH-UGSOOPFHSA-N 344.411 2.798 0 50 EFAA Cc1noc([C@@H]2CCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)n1 265185609 LNXWAOVSBVBGSF-WBVHZDCISA-N 341.411 2.788 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccnn2[C@@H]2CCOC2)ccc1Cl 903666530 PCLNHBHYWBBWGA-LLVKDONJSA-N 341.820 2.607 0 50 EFAA C[C@H]1C[C@@H](C)CN(C(=O)c2cccn(CC(F)(F)F)c2=O)[C@@H]1C 907677244 OVJQDOVHQZJHFL-GRYCIOLGSA-N 330.350 2.917 0 50 EFAA Cc1cc(F)cc(NC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c1 930455719 ABLNTSVENDEHEO-HNNXBMFYSA-N 340.420 2.565 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cnn2c1OCCC2 1121246574 VKZUJDBQHBRMEW-SFHVURJKSA-N 348.406 2.774 0 50 EFAA OCCN(Cc1cccnc1)Cc1cc(Br)cs1 253417271 BXHAYDJIYREZTO-UHFFFAOYSA-N 327.247 2.900 0 50 EFAA CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 36787 FLNPCRWLLYJQPN-UHFFFAOYSA-N 329.381 2.790 0 50 EFAA CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl 3085376 BNNBBFIMYJOCNX-UHFFFAOYSA-N 332.787 2.994 0 50 EFAA Cc1nc(-c2ccc(NC(=O)c3cc4n(n3)CCC[C@H]4N)cc2)co1 2325765862 BGMVSRYMDQBSDB-CQSZACIVSA-N 337.383 2.892 0 50 EFAA C[C@H](CC(=O)N1CCc2[nH]ccc(=O)c2C1)c1ccc(F)c(F)c1 2325803205 XGZPNQADRJZACC-LLVKDONJSA-N 332.350 2.732 0 50 EFAA O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1CNCc2nccn2C1 2325855868 RXRASQFAVCXSMI-LJQANCHMSA-N 346.434 2.586 0 50 EFAA O=C(O)[C@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 204438312 IJSJDPJMUORAGT-JUFNAOHJSA-N 339.391 2.952 0 50 EFAA CC(C)[C@@H](N)N[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 1857800334 BJBULGJIEYNZNN-JQWIXIFHSA-N 338.666 2.643 0 50 EFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(C)o1 2708072 WACSGEMXDSYVTL-UHFFFAOYSA-N 347.367 2.963 0 50 EFAA CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 10315061 XNTGYQOZGIPOAN-UHFFFAOYSA-N 338.816 2.642 0 50 EFAA C[C@H](NC(=O)N1CC[C@@H](COCc2ccccc2)C1)[C@H]1CCCO1 247517193 ZQAAWZYUBHNBMB-CGTJXYLNSA-N 332.444 2.802 0 50 EFAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1ccc2c(c1)OCO2 55132930 MQZLLWIVQMSYJM-AWEZNQCLSA-N 333.409 2.890 0 50 EFAA O=C1O[C@H](C(=O)NCCc2ccccc2)Cc2ccc(Cl)cc21 9668252 NNHZSPYGYBTKGH-INIZCTEOSA-N 329.783 2.780 0 50 EFAA CC[C@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 54992105 GMPLOOLHAGMQNY-HNNXBMFYSA-N 332.469 2.945 0 50 EFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)C[C@H]1CCC(=O)N1 55413587 UARFFXDJABPNSS-GFCCVEGCSA-N 344.440 2.785 0 50 EFAA CCn1cc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 55042078 FMUOIJYEZUZYCX-KRWDZBQOSA-N 334.427 2.922 0 50 EFAA O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC1CCCCCC1 100793099 AIWPJKMWJWQDRS-IYBDPMFKSA-N 332.444 2.557 0 50 EFAA CN(C)c1ncc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)s1 421375032 OLESUXSHSBWQTL-QGZVFWFLSA-N 335.448 2.528 0 50 EFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)CCC(N)=O 67675363 PZNKNWZYFIZDEC-UHFFFAOYSA-N 341.333 2.976 0 50 EFAA C[C@H]1CCCN([C@@H](C)CNC(=O)c2cc(-n3cccc3)ccn2)C1 351706015 NCQRGIKLWSCUJI-HOTGVXAUSA-N 326.444 2.723 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N(C)CC[C@H]1CCCCO1 62193394 SJFHYGFOMIDLSR-CQSZACIVSA-N 327.446 2.583 0 50 EFAA Oc1cccc2c1C[C@H](N=c1[nH]n3cc(-c4cccnc4)nc3s1)C2 428677776 SZYAJMNSQHTAAX-CYBMUJFWSA-N 349.419 2.560 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)C1=COCCC1 328629206 HYJIVRYHRCCWSY-GJZGRUSLSA-N 338.448 2.813 0 50 EFAA COc1ncnc(N(C)C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 152918423 VOJONXXSQHWWIH-VXGBXAGGSA-N 346.818 2.947 0 50 EFAA C[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H](C)N1 154255751 GBRIARMOJVCQJQ-UWVGGRQHSA-N 331.279 2.652 0 50 EFAA O[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(-c3cc[nH]n3)o2)C1 363761799 ASWIJLBQQRDMNJ-GOSISDBHSA-N 327.359 2.902 0 50 EFAA O=C(O)C1(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 154819165 RDACEYIYJPOZRS-UHFFFAOYSA-N 339.273 2.694 0 50 EFAA CCSCC[C@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O 173311837 ZGEXAELSFVJLPO-AWEZNQCLSA-N 345.468 2.558 0 50 EFAA CC(C)(C)OC(=O)N(C[C@H]1CCCO1)Cn1nnc2ccccc21 32602859 FUGSGULHNZRVAD-CYBMUJFWSA-N 332.404 2.805 0 50 EFAA O=C(c1cc2n(n1)CCCO2)N1CCCc2cccc(OC(F)F)c21 330305431 QRGZNXXXIPZFAW-UHFFFAOYSA-N 349.337 2.860 0 50 EFAA O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCn2cnnc2C1 156362648 JHAYXRILJFHVBZ-KRWDZBQOSA-N 343.406 2.874 0 50 EFAA COc1ccccc1-c1ncc(CNc2ncccc2C(N)=O)s1 32523765 JNQBKHWQZZEGRZ-UHFFFAOYSA-N 340.408 2.925 0 50 EFAA COc1cccc(CN2CCC[C@H](Nc3ncccc3C(=O)O)C2)c1 72477827 KPCIKMPZZPNLPP-HNNXBMFYSA-N 341.411 2.865 0 50 EFAA COc1cc(CN2CCCCCC2)cc(Cl)c1OCC(N)=O 157372641 XHDOWETVCWHAJF-UHFFFAOYSA-N 326.824 2.589 0 50 EFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC23CCNCC3)[C@H](C)CO1 261940616 NINXCRGIFPPGOT-NJAFHUGGSA-N 328.456 2.673 0 50 EFAA CNc1cc(C)nc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)n1 72406828 XBIRUZHLZAUBEF-KRWDZBQOSA-N 337.471 2.870 0 50 EFAA C[C@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1 72433903 LFTKDLXSELEXRX-GOSISDBHSA-N 344.499 2.969 0 50 EFAA Cn1nccc1C1=CCN(S(=O)(=O)CCC2CCCCC2)CC1 333641124 CCDOWHMBFRUZFN-UHFFFAOYSA-N 337.489 2.809 0 50 EFAA Cn1ccnc1CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1 159354984 UIBPZELGPMKMES-UHFFFAOYSA-N 343.381 2.569 0 50 EFAA O=C(O)c1ccccc1OCCN1CCOC[C@H]1c1ccccc1 373233683 IPZAJOAWWURNPA-KRWDZBQOSA-N 327.380 2.837 0 50 EFAA O=S1(=O)CC[C@]2(CCCN(Cc3ccc(OCC4CC4)cc3)C2)C1 449550930 DGMZOZLCRPFNHQ-IBGZPJMESA-N 349.496 2.876 0 50 EFAA CNC(=O)c1ccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cn1 343251163 KUYBWUMOQPTXNN-UHFFFAOYSA-N 336.351 2.657 0 50 EFAA CCn1c(N)nc2cc(C(=O)N(Cc3ccsc3)C3CC3)cnc21 77503331 RGMNXQJLKVYPMC-UHFFFAOYSA-N 341.440 2.900 0 50 EFAA Cc1ccc(CN2CCN(C(=O)Cc3ccsc3)CC2=O)cc1C 77353500 IAHMERVDUMAYQP-UHFFFAOYSA-N 342.464 2.778 0 50 EFAA COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)o2)cc1 77287416 QVGCDCQFZDKYBG-GOEBONIOSA-N 326.396 2.731 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 130492481 DCHFSPIFFOEXOT-SCLBCKFNSA-N 327.428 2.948 0 50 EFAA CC[C@H](C(=O)N1CCC(C2OCCO2)CC1)N(C)Cc1ccccc1 241277690 LIHYJAAFMKCBPM-GOSISDBHSA-N 346.471 2.509 0 50 EFAA Cc1csc(N2CCCN([C@H]3Cc4ccccc4[C@H]3O)CC2)n1 241287087 LJUBKOPLNAVNIL-DLBZAZTESA-N 329.469 2.622 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(C)s1 72436116 INBKBNKIEMLWMT-QGZVFWFLSA-N 349.544 2.869 0 50 EFAA CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1 285230334 QLXAJZAFKBPQGQ-LBPRGKRZSA-N 325.459 2.533 0 50 EFAA COc1cccc(C2(NC(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1 341342846 QBCHIVRWAARCCV-UHFFFAOYSA-N 348.402 2.966 0 50 EFAA CCc1nnc(NC(=O)CSc2nnc(CC)n2C(C)C)s1 17071273 FAGXUHMBYYFKOM-UHFFFAOYSA-N 340.478 2.566 0 50 EFAA Cn1nnc2cc(C(=O)N3CC(C)(C)[C@@H]3c3cccs3)cnc21 288510941 FMTQCHJFRNFSJH-ZDUSSCGKSA-N 327.413 2.648 0 50 EFAA C[C@@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 426589965 LCFZEOZGQYRLIZ-OAHLLOKOSA-N 336.439 2.842 0 50 EFAA CCCCOc1c(Cl)cc(C(=O)N2CC[C@@H](CN)C2)cc1OC 178576420 GMDBUKMWFMRHAA-LBPRGKRZSA-N 340.851 2.948 0 50 EFAA Cc1cc(C(=O)N(C)CCN2CCCCC2=O)c2cccc(C)c2n1 82107340 UABUJFLRBJDEDO-UHFFFAOYSA-N 339.439 2.936 0 50 EFAA CN(C)Cc1ccc(CSCCNC(=O)c2cc(Cl)c[nH]2)o1 426727505 ORTYKRQPYWIEFM-UHFFFAOYSA-N 341.864 2.986 0 50 EFAA Cc1cc(-c2nc(-c3ccccn3)nn2C2CCN(C)CC2)nc(C)n1 96153770 CIEURGWJQRULIO-UHFFFAOYSA-N 349.442 2.681 0 50 EFAA Cc1cc(=O)[nH]c(S[C@H](C)c2ncnn2Cc2ccccc2C)n1 91645500 GPEZKWCTJXQRFS-CYBMUJFWSA-N 341.440 2.880 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 91620299 PAWVIEUMSKVGDF-CYBMUJFWSA-N 349.500 2.811 0 50 EFAA C[C@@H]1CN(C(=O)CCc2ccsc2)CC[C@@]1(O)C1CCOCC1 91845578 MFNRDSPXRPULQW-KDOFPFPSSA-N 337.485 2.707 0 50 EFAA CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C(=O)O)c1ccc(N)nc1 95388322 LOVQILUJSTUGHP-CQSZACIVSA-N 339.317 2.940 0 50 EFAA COc1cc(OC)c(CN2CCCC[C@H]2CCC(=O)O)c(OC)c1 97657112 QFGCHMDZFDSEHF-ZDUSSCGKSA-N 337.416 2.932 0 50 EFAA O=C(COCc1ccccc1)N1CCC[C@H](OCc2cccnc2)C1 91380701 WPRWKFVBEHYIRK-IBGZPJMESA-N 340.423 2.806 0 50 EFAA COc1cccc(OC2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)c1 95390879 GPYPJFSMMMQKPJ-UHFFFAOYSA-N 349.390 2.989 0 50 EFAA CNC(=O)c1cc2c(s1)CCN(c1nc(C)nc3sccc13)C2 95375385 YVMTXLWQZDIWRV-UHFFFAOYSA-N 344.465 2.984 0 50 EFAA CN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1n[nH]c2c1CCC2 243914764 BKKUQEPWAQSBNK-UHFFFAOYSA-N 338.455 2.848 0 50 EFAA O=C(Nc1nc(C2CCOCC2)cs1)c1cnc(C2CC2)nc1 295697688 JRLYULQPHLTYNJ-UHFFFAOYSA-N 330.413 2.957 0 50 EFAA CCc1nccn1CCC(=O)NCc1nn(C)c2cccc(Cl)c12 244795681 RLQHHQUERMUKQC-UHFFFAOYSA-N 345.834 2.692 0 50 EFAA COc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1 252491878 LYCJUVPNVYZKGJ-UHFFFAOYSA-N 330.294 2.806 0 50 EFAA CN(C)C(=O)CCNC(=O)N1CCCC[C@H]1CCc1cccs1 534655035 LONSUTYNNAPTRY-AWEZNQCLSA-N 337.489 2.723 0 50 EFAA O=C(Nc1ccc(F)c(F)c1)N[C@@H]1COC[C@H]1Cc1ccncc1 1940197590 AXWJVWIBGKNIJE-MLGOLLRUSA-N 333.338 2.739 0 50 EFAA C[C@@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)c1cnn(C)c1 165407833 QFSFWSWHIBHXSU-SNVBAGLBSA-N 328.376 2.510 0 50 EFAA CN(CCCN1CCC(Cc2ccccc2)CC1)Cc1nc[nH]n1 952880737 LAJYZLQWVOIMJN-UHFFFAOYSA-N 327.476 2.581 0 50 EFAA Nc1ncnc2c1cnn2Cc1csc(-c2ccc(F)cc2)n1 1875261906 SBKLFBFNEYFJJJ-UHFFFAOYSA-N 326.360 2.719 0 50 EFAA C[C@H]1CCC[C@@](O)(CNC(=O)Nc2c[nH]nc2-c2nccs2)C1 1875265226 WUEFHWBKONZIKI-BONVTDFDSA-N 335.433 2.596 0 50 EFAA CC[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1nccs1 1875285216 GXZDMYILAIIAST-ZDUSSCGKSA-N 345.534 2.777 0 50 EFAA C[C@@H](O)CN(C)C(=O)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 1875272854 NVQQLUJNOHNJPK-MRVPVSSYSA-N 344.289 2.656 0 50 EFAA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cncc(F)c1 1875253944 RLIVUDPCXADSCQ-NSHDSACASA-N 326.331 2.632 0 50 EFAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cn2c(n1)COCC2 1875305080 GFUUGRGHZMFDSF-KOMQPUFPSA-N 341.411 2.533 0 50 EFAA OC[C@H](NCc1n[nH]c2c1CCC2)c1cccc(C(F)(F)F)c1 1875308312 ZPIGUIIDOIXRAO-HNNXBMFYSA-N 325.334 2.740 0 50 EFAA C[C@@H](C(=O)N1Cc2n[nH]cc2[C@H]1CO)c1ccc(C(F)(F)F)cc1 1875313841 YUIWURUUXDYVQM-YMTOWFKASA-N 339.317 2.608 0 50 EFAA NC[C@@H]1C[C@H]2CN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)C[C@@H]12 1875304009 WQBYDTSPMILYJC-LJCCNALRSA-N 349.478 2.682 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2cc(F)ccc2C)CC[C@H]1C(F)(F)F 888076459 MBTBHMYUFIJWFV-OCCSQVGLSA-N 346.324 2.806 0 50 EFAA CC(C)(C)c1coc(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)n1 889551985 ZGLOCRBNWNJHRV-IAGOWNOFSA-N 344.411 2.745 0 50 EFAA Cn1ncc2c(N[C@H](CO)c3ccccc3C(F)(F)F)ncnc21 896649172 AZIMBNPEURGPLO-GFCCVEGCSA-N 337.305 2.528 0 50 EFAA C[C@@H]1C[C@H](NCc2sc(Br)c3c2OCCO3)CCO1 1775997799 MPGFQGUHMLSUOL-RKDXNWHRSA-N 348.262 2.939 0 50 EFAA Cc1nc2c(CSc3nnc(C(F)(F)F)n3N)cccc2o1 1775993469 RQFTWAWOWYIAOP-UHFFFAOYSA-N 329.307 2.753 0 50 EFAA CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc3c(c2)OCCO3)CCO1 272915672 LKEUXDWIVXTXNI-WMLDXEAASA-N 333.428 2.915 0 50 EFAA CCCC(=O)N1CCC(N[C@H]2CCOC[C@@H]2OCC=C(C)C)CC1 1565515659 JOPQMODULSCPML-ROUUACIJSA-N 338.492 2.507 0 50 EFAA FC(F)(F)[C@H](CN[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)n1cncn1 631691910 NYIPOZJQRFEYEJ-SYQHCUMBSA-N 332.370 2.566 0 50 EFAA COC(=O)[C@H](C)CS[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597177 UDQIAMVPNUMPNU-NEPJUHHUSA-N 347.440 2.946 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1nc(Cl)ccc1Cl 170676063 HPYMSJIGWCOIPH-LLVKDONJSA-N 325.151 2.944 0 50 EFAA CC[C@](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)(C(=O)O)c1ccccc1 675982402 KUZASOFULWCCRQ-QFBILLFUSA-N 343.354 2.636 0 50 EFAA c1cncc(-c2nc3c(c(N[C@@H]4CCc5n[nH]cc5C4)n2)CCC3)c1 676079720 BDARDSCNYVKDRJ-CQSZACIVSA-N 332.411 2.720 0 50 EFAA CCn1c(S[C@@H](C)c2nnnn2C)nnc1-c1ccc(C)cc1 189090126 FBPCLZKQJYEHPO-NSHDSACASA-N 329.433 2.650 0 50 EFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc(Cl)c2C)n1 408054022 KCNPIHHOZPPZRF-YGRLFVJLSA-N 335.791 2.942 0 50 EFAA Cc1nn(C)cc1NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 189716260 MIZZUOUNHFYNPO-OAHLLOKOSA-N 342.378 2.512 0 50 EFAA O=C(O)CC[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccccc1 190765505 YBDQVLCXCANBCZ-MRXNPFEDSA-N 337.379 2.828 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc(C)c1O 190940024 VRIVHWKWPFDDHX-ROUUACIJSA-N 345.487 2.677 0 50 EFAA O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1)C1CCCCC1 191574694 JFXPVALKEMTRJF-CVEARBPZSA-N 344.411 2.542 0 50 EFAA COc1cccc2c1CCN(CCCN1CCN(C(C)C)CC1)CC2 192850360 LBLQNIXTGOLMKF-UHFFFAOYSA-N 345.531 2.512 0 50 EFAA Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 1506396953 ZPOAIOMXZQGCDU-AWEZNQCLSA-N 343.452 2.901 0 50 EFAA Cc1nc(N2CCC[C@@H](CC(N)=O)CC2)ccc1Br 671439295 BGEATZMQGGNQKC-LLVKDONJSA-N 326.238 2.634 0 50 EFAA O=C(COCc1ccccc1)N1CCCN(C2CCSCC2)CC1 1704349668 CBXGCOJBJHBDDJ-UHFFFAOYSA-N 348.512 2.633 0 50 EFAA CCCCOc1ccccc1C(=O)N(CCO)Cc1[nH]cnc1C 1704329907 DGCHGEJZRSJXNU-UHFFFAOYSA-N 331.416 2.532 0 50 EFAA CN(C)CC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 11771112 HQRYFBXSWLOYNU-FQEVSTJZSA-N 335.536 2.833 0 50 EFAA O=C1CCCN1CCC(=O)N1CCC[C@@H](CCc2ccccc2)C1 12057182 YWSORCYMJRFIQL-SFHVURJKSA-N 328.456 2.870 0 50 EFAA CCc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1OC 19619319 RYXXAVDGGCUPMD-UHFFFAOYSA-N 344.436 2.709 0 50 EFAA COc1cc(=O)n2c(c1C(=O)NCCC1=CCCCC1)CCCC2 169752826 BBHBHPCVOWWUPN-UHFFFAOYSA-N 330.428 2.814 0 50 EFAA Cn1ccnc1CN1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857668359 AFWZLKXHYBSNSP-ZWKOTPCHSA-N 341.455 2.667 0 50 EFAA CN1CC[C@@H](n2ccnc2-c2ccc(OC(F)(F)F)cc2)C1=O 1857668535 UFISIDGVVUWKBH-GFCCVEGCSA-N 325.290 2.852 0 50 EFAA CCn1cc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857672805 HNQVQBOHRONSSQ-ZCNNSNEGSA-N 325.456 2.861 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348260716 ODTYXWWCQJJXFO-HZPDHXFCSA-N 345.370 2.548 0 50 EFAA O=C(c1ccc(OC(F)F)cc1)N1CC[C@H](Oc2ccccn2)C1 366270480 HHYHPUZSEDXWSP-AWEZNQCLSA-N 334.322 2.977 0 50 EFAA Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccn(C)n1 1127645074 VZTVGKFNDYSISS-UHFFFAOYSA-N 330.388 2.921 0 50 EFAA Cc1cc(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)cc2n[nH]cc12 1215976087 LZMJYNFSGUAFAO-QGZVFWFLSA-N 349.394 2.820 0 50 EFAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCn2cncc2C1 830547983 URUUWJDFGOLEGE-INIZCTEOSA-N 349.434 2.966 0 50 EFAA Cc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1C 55060380 NQMPONZEIHEULB-UHFFFAOYSA-N 337.467 2.742 0 50 EFAA O=C(NCCc1nc2ccccc2[nH]1)c1nc(-c2cccs2)no1 2733216 SJXMFRYLIBILAL-UHFFFAOYSA-N 339.380 2.647 0 50 EFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Cl)c1 4171034 QVKDQBFTAMQYMG-CQSZACIVSA-N 337.803 2.797 0 50 EFAA C[C@@H]1C[C@@H]1[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(Cl)cc1 245305004 HMBRISVVQCCVFB-SDJAHQOYSA-N 335.835 2.567 0 50 EFAA CC(=O)N1[C@H](c2ccccc2)CC(=O)O[C@@H]1c1ccc2c(c1)OCO2 489424 GTCXRHKYOKPUID-HNAYVOBHSA-N 339.347 2.951 0 50 EFAA biogenic CCOn1c(=O)c(-c2cccc3ccccc23)[n+]([O-])c2ccccc21 545690 VJVUQVSBOADAJG-UHFFFAOYSA-N 332.359 2.904 0 50 EFAA COc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1 2345079 ZYZFOKYZKVSGEH-UHFFFAOYSA-N 342.395 2.842 0 50 EFAA Cc1cnccc1N1CCCN(c2c(C)c(C)nc3ccnn23)CC1 2356152611 ROTIMXAUDZRPHU-UHFFFAOYSA-N 336.443 2.766 0 50 EFAA CC[C@@H](C)c1ccccc1OCC(=O)NCC(=O)Nc1nccs1 55061120 IZWPEWNWHLZTHN-GFCCVEGCSA-N 347.440 2.790 0 50 EFAA Cc1ccc2nc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)sc2c1 101423525 ORWAIBLRBPYKIS-MFUDDKMCSA-N 328.393 2.741 0 50 EFAA Cc1ccc(Cc2nc(C(=O)N3C[C@@H]4CC[C@H](N)[C@H]4C3)cs2)cc1 248604266 JOJIHCJOHNGFGY-JYJNAYRXSA-N 341.480 2.852 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](c2ccccc2)C2CC2)C1 248981316 SSKYESKNBBQLJR-BRWVUGGUSA-N 341.411 2.860 0 50 EFAA C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(-c2cccnc2)c1 347503116 OSBABFDFHSBNMJ-RHSMWYFYSA-N 328.416 2.592 0 50 EFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 100097330 XBDJVUHXRNRICA-UHFFFAOYSA-N 335.787 2.921 0 50 EFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(OC)cc2)CC1 59749443 ROJWQOWKHHJCOR-UHFFFAOYSA-N 333.432 2.808 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(C)n1 100398897 YOUOZNQPPNHCKY-UHFFFAOYSA-N 344.411 2.751 0 50 EFAA Cc1ccccc1-n1nc(CC(C)C)nc1CCN1CCCC1=O 65488190 KMJHMGKSGKQPQK-UHFFFAOYSA-N 326.444 2.939 0 50 EFAA COc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1OC 21806760 LREFTMTUTPJUPV-UHFFFAOYSA-N 329.278 2.708 0 50 EFAA Cc1cccc2cc(CN3CCC[C@H](Cn4ccnc4)C3)c(=O)[nH]c12 67803175 UWPAYFFLRZUPPG-INIZCTEOSA-N 336.439 2.945 0 50 EFAA COc1cccc(OC)c1OCCN1CCC[C@H]1CN1CCCC1 65396143 KAYYKSJTZKDQMB-INIZCTEOSA-N 334.460 2.643 0 50 EFAA CC[C@@H](OC)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67542171 LPXHRFBFAFQELR-QGZVFWFLSA-N 342.395 2.600 0 50 EFAA COC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccn1 65508261 NTLWIAZLNRYVSE-GOSISDBHSA-N 336.395 2.759 0 50 EFAA CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(-c2nncs2)cc1 252496319 PGPNPTJHNFNTJW-MNOVXSKESA-N 347.444 2.630 0 50 EFAA c1cc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1 20543415 FXICDDZYHJSXCO-UHFFFAOYSA-N 331.489 2.773 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC[C@@H](O)C2CC2)cc1 230163208 YYAVLUXJXDAIHS-KSZLIROESA-N 332.444 2.533 0 50 EFAA Cc1ccc(C(C)(C)CN(C)C(=O)c2nc(C)c(C)[nH]c2=O)cc1 121058280 GMKCPAHSXODCDP-UHFFFAOYSA-N 327.428 2.745 0 50 EFAA C[C@H]1CN(C)C[C@H]1C(=O)N(Cc1ccccc1)CC1(O)CCCC1 328596340 IFDIMKBSJVTKOH-FUHWJXTLSA-N 330.472 2.518 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2csc(C)n2)n1C 328626314 FABQBTBSPUDTNC-HNNXBMFYSA-N 332.473 2.877 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3csc4ccccc34)CCO2)o1 328613144 QWHBLOFXXZPOHH-ZDUSSCGKSA-N 329.381 2.806 0 50 EFAA C[C@@H](OCC1CC1)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 328642574 RDDSFNRXLYUGRK-APWZRJJASA-N 345.487 2.710 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)[C@H]2CCCS2)C2CCOCC2)n1 355883687 YNDXZYPGRKWWHT-OLZOCXBDSA-N 339.461 2.673 0 50 EFAA COc1ncnc(OC)c1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253429844 VGQFNEXHLHZCMB-AUECHBEKSA-N 339.395 2.812 0 50 EFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2C)cc1 4809464 HGWKBRCYNHUCJL-UHFFFAOYSA-N 344.436 2.996 0 50 EFAA Cc1nc(O)c(C(=O)N2CCC(F)(F)[C@H](C)C2)cc1Br 356746070 QPLJSBQVDIGUSN-SSDOTTSWSA-N 349.175 2.975 0 50 EFAA Cc1ccc2c(C)c(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)oc2c1 72160877 QODZANVURGKMBG-SFHVURJKSA-N 328.368 2.716 0 50 EFAA CCN1CCO[C@@H](CNCc2ncc(Cl)n2C)[C@@H]1c1ccccc1 284709419 KNGXRZMQOUYHLI-YJBOKZPZSA-N 348.878 2.625 0 50 EFAA Cc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72481056 UOBKWHJPCVELIS-UHFFFAOYSA-N 340.471 2.512 0 50 EFAA O=C(NC[C@H](CO)c1cccnc1)c1c(Cl)cccc1Cl 490400062 UWFBIORTRRPRRH-LLVKDONJSA-N 325.195 2.894 0 50 EFAA O[C@H]1[C@H](n2cc(-c3ccccc3)nn2)c2ccccc2C12CCNCC2 72156939 QWZDHRJFJQLPPN-UXHICEINSA-N 346.434 2.530 0 50 EFAA CC(C)(N)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77321987 WPHOTLYKZOWWPI-UHFFFAOYSA-N 349.906 2.892 0 50 EFAA O=C(C[C@@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 72426877 XSVIEOKVBJQKAT-CQSZACIVSA-N 344.427 2.597 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(-n2ccnn2)cc1 133759246 HAPYMHFGFKWVNE-MRXNPFEDSA-N 336.399 2.585 0 50 EFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C(=O)O)c(C)n1 262127965 CROPUKKICASCDP-GFCCVEGCSA-N 342.395 2.800 0 50 EFAA Cc1ncc2c(c1CNC(=O)C[C@@H]1CCc3ccccc31)CCNC2 72473005 LMIXLTVOJXVESZ-INIZCTEOSA-N 335.451 2.772 0 50 EFAA CCc1nc(C(C)C)ccc1C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 343668935 USLRFXSFOICXGP-HNNXBMFYSA-N 331.460 2.708 0 50 EFAA CCc1nc(C)sc1CNC(=O)Cc1c(C)nc2ccccn12 71762793 CLZZDPIRQHKBPX-UHFFFAOYSA-N 328.441 2.829 0 50 EFAA Cc1nc[nH]c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 71415517 JPAUCMHREWQNBY-UHFFFAOYSA-N 326.331 2.711 0 50 EFAA COC[C@H]1CCCCN1C(=O)NCc1cccc(-c2cnn(C)c2)c1 458572421 DQGATDMLBCGWHT-GOSISDBHSA-N 342.443 2.798 0 50 EFAA CCCn1ccc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O 40391100 SMOJBCUYTQKQSH-UHFFFAOYSA-N 349.394 2.663 0 50 EFAA O=C1C[C@H](Cc2ncc(F)c(N3CCCC3)n2)CN1c1ccccc1 220068922 ARGYFRZYDJDGLK-AWEZNQCLSA-N 340.402 2.812 0 50 EFAA Cc1ccc(-n2nc(C(=O)N(C)C[C@@H]3CCOC3)c3c2CCC3)cc1 177311730 WTZHCHDGSWXZGH-HNNXBMFYSA-N 339.439 2.778 0 50 EFAA CCc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)O)cs2)cc1 178276918 RVGYVQSACPCWJE-OAHLLOKOSA-N 344.436 2.991 0 50 EFAA CC(=O)c1cc(C(=O)N2CCN(C3CCSCC3)CC2)cs1 96142006 MKGNJXSLOFLVAE-UHFFFAOYSA-N 338.498 2.604 0 50 EFAA Cc1ccc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)cc1C 95366446 TVCLYXBLSCDTGS-IBGZPJMESA-N 339.439 2.642 0 50 EFAA CC(C)c1nccn1[C@@H](C)C(=O)N(C)Cc1ccc2nonc2c1 95378724 CDZVIYFMPIDIRU-LBPRGKRZSA-N 327.388 2.762 0 50 EFAA COC[C@@H](NC(=O)Nc1ccnn1C1CCCCC1)c1ccnn1C 96133227 LLKNDIAFZHVAQN-CQSZACIVSA-N 346.435 2.631 0 50 EFAA O=C(NCc1cc(-c2cccnc2)no1)[C@@H]1COc2ccccc2C1 95506748 WITAIQFFAZWFDQ-HNNXBMFYSA-N 335.363 2.604 0 50 EFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 91646013 XZBHHMALEQUJDZ-IBGZPJMESA-N 331.412 2.519 0 50 EFAA Cc1nc(C2CC2)ccc1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 295649086 RIVNWQDUXWVAJM-QGZVFWFLSA-N 341.455 2.644 0 50 EFAA CCCn1ncc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)c1C 92003875 SGNUBHJXDJWLPN-LJQANCHMSA-N 327.428 2.644 0 50 EFAA CO[C@@H]1CCN(c2cc(N)nc(SCc3ccc(C)cc3)n2)C1 95503314 YSWUKNZLVXTINP-CQSZACIVSA-N 330.457 2.885 0 50 EFAA CN1CCCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 91411386 BXFCMBGQDIYBND-IBGZPJMESA-N 329.488 2.820 0 50 EFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C)nc(O)c1 184274163 MZMJJZJSJILZJT-INIZCTEOSA-N 325.412 2.837 0 50 EFAA CCOC(=O)c1csc(NC(=O)N(C)CC)c1C(=O)OCC 864057552 LUOHYALSTDTMQG-UHFFFAOYSA-N 328.390 2.585 0 50 EFAA O=C1CCCN1Cc1ccc(CNC(=O)N2CCC=C(Cl)C2)cc1 864095505 OMKOOTOVNCHGCC-UHFFFAOYSA-N 347.846 2.847 0 50 EFAA CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253500198 ZBHPCFVWCHWDCE-QZBQPBHFSA-N 347.499 2.786 0 50 EFAA biogenic Cc1ccc([C@@H](NC(=O)N2CCOCC2)c2cccnc2)cc1C 534642751 DSTWDGISGJYQHW-GOSISDBHSA-N 325.412 2.830 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2nccs2)cc1 299798852 SXKOTSTYZPSLOH-NSHDSACASA-N 327.413 2.913 0 50 EFAA Cc1c(CN2CCN(C)C3(CCN(C)CC3)C2)[nH]c2ccc(F)cc12 823770156 QZWRDWREAOMRNK-UHFFFAOYSA-N 344.478 2.827 0 50 EFAA Cc1ccnn1CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 828057236 ZVIFBPMYUCTSKZ-QGZVFWFLSA-N 329.400 2.778 0 50 EFAA Cc1nonc1CC(=O)N(CCc1ccccc1)Cc1cccnc1 845392475 FAVQUMZNNVAPCZ-UHFFFAOYSA-N 336.395 2.587 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Oc3ccccn3)cc2)cn1 1875381298 QBGLPKWOTUXVAH-HJPURHCSSA-N 336.395 2.871 0 50 EFAA Cc1nc(C(C)C)cc(N2CC3(CCN(C(=O)C4CCC4)C3)C2)n1 1875343072 PFZGTXPALWQXAU-UHFFFAOYSA-N 328.460 2.747 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC4(CCOCC4)C34CC4)n[nH]c21 1875404815 WCUXKXQBRTXXEK-OLZOCXBDSA-N 345.443 2.607 0 50 EFAA Cc1ccc(C)c(OC[C@H](O)Cn2cnc(C(C)(C)C)cc2=O)c1 952846970 SILFXLCMDHPVMJ-OAHLLOKOSA-N 330.428 2.598 0 50 EFAA O=C(c1ccc(CC2CC2)s1)N1CCCC[C@@H]1Cn1ccnn1 1875274290 DVIDPRURGHOQCY-CQSZACIVSA-N 330.457 2.987 0 50 EFAA Cc1ccc(CN(C)C(=O)CN2CCC(C(F)(F)F)CC2)nc1 1875262113 DHADGNAHDZWJCS-UHFFFAOYSA-N 329.366 2.623 0 50 EFAA C[C@H](NC(=O)Cn1ccc(C(=O)O)n1)c1ccc(C(F)(F)F)s1 1875272655 DBQYUXBMARRVCJ-ZETCQYMHSA-N 347.318 2.539 0 50 EFAA Cc1ccsc1C(=O)NC[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 952973743 AIJFGWWXYJXMPT-CYBMUJFWSA-N 331.441 2.667 0 50 EFAA COc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3CC3CC3)c12 886467828 LRSJXTMDMQVTDT-HNNXBMFYSA-N 328.412 2.747 0 50 EFAA O=C(NCCC1CCC(F)(F)CC1)N[C@@H]1CCc2c[nH]nc2C1 893640829 CWGLXLLUNVMBQE-CYBMUJFWSA-N 326.391 2.782 0 50 EFAA COc1ccc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)c(Cl)c1 890155139 IKUMYISFNIJUPG-KRWDZBQOSA-N 349.818 2.518 0 50 EFAA CCOc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCc3nc[nH]c31)CCO2 1775987150 DNSFFLJVHVNHGQ-HIFRSBDPSA-N 341.411 2.868 0 50 EFAA CCn1c(CN(C)C(=O)c2c(C)[nH]s/c2=N\C)nc2ccccc21 1775996343 WSGBFVUAFMVQQZ-VLGSPTGOSA-N 343.456 2.557 0 50 EFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 1565515413 MLWLXGSXUNCGOM-MOPGFXCFSA-N 339.487 2.785 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cccc3ncccc23)CCO1 275310312 BAGQBVFGIQKULN-SCLBCKFNSA-N 336.395 2.618 0 50 EFAA Cn1c([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)nc2c1CCCC2 275639576 SVYNGUPOMOHNAN-GOSISDBHSA-N 338.455 2.735 0 50 EFAA COc1ccc(C(=O)N(C)C[C@@H](C)NCC2CCC(C)(C)CC2)nn1 1403624659 HTRKNNMURCVDDD-CQSZACIVSA-N 348.491 2.752 0 50 EFAA Cc1csc([C@@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCO2)n1 170611925 OVMVTDOGVOXHLL-CVEARBPZSA-N 343.452 2.778 0 50 EFAA CC1(C)CN(CCNC(=O)[C@@]2(C)CCCc3ccccc32)CCO1 170628762 FDVRZDHLEUGKQO-FQEVSTJZSA-N 330.472 2.508 0 50 EFAA Cc1nc(C[C@H]2CCCN(C(=O)NCc3ccc(F)c(C)c3)C2)no1 170887607 VWBVPNNBFLSZAU-OAHLLOKOSA-N 346.406 2.990 0 50 EFAA O=C(CSc1nc2ncncc2[nH]1)Nc1ccc(F)cc1Cl 186769067 MQLYYOXJBPWTJS-UHFFFAOYSA-N 337.767 2.876 0 50 EFAA Cc1ncc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)c(C2CC2)n1 282201016 LKRALZFRIUBMDK-UHFFFAOYSA-N 335.367 2.677 0 50 EFAA O=C(O)c1cccc(CNC(=O)N2CCC[C@@H](N3CCCC3)CC2)c1 635526134 NLVNCWYBHHKDIX-QGZVFWFLSA-N 345.443 2.545 0 50 EFAA CN(C)c1ncccc1CNC(=O)c1cc(N(C)C)c2ccccc2n1 225800656 BJFHLOZQSZTZSC-UHFFFAOYSA-N 349.438 2.692 0 50 EFAA CCCc1ncc(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)o1 654091152 PMKSSOKIPNIQGV-CYBMUJFWSA-N 330.384 2.503 0 50 EFAA COc1ccc(Cl)cc1[C@H](C(=O)O)N(C)CCCn1cccn1 1506396267 QQOQGWQFULHDFE-OAHLLOKOSA-N 337.807 2.693 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)C2CC2)C1 11878487 SSKCCJISWNVJOG-LJQANCHMSA-N 333.403 2.950 0 50 EFAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1cccc(F)c1 12099414 CEBUKVKKLUEGAT-LJQANCHMSA-N 344.386 2.707 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(CCc2ccccc2)nn1 12594031 RGTXSQFZAIRLTQ-ZWKOTPCHSA-N 332.407 2.807 0 50 EFAA Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1NS(C)(=O)=O 13681033 VPBNONJMCCEKSP-UHFFFAOYSA-N 344.436 2.565 0 50 EFAA O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)[C@H]1CCCO1 16607077 KACVDKSHNMKDPJ-MRXNPFEDSA-N 336.347 2.973 0 50 EFAA O=C(N1C[C@@H]2CCOC[C@]2(CO)C1)C1(c2ccccc2)CCCCC1 1857669251 QIEFJGYRXVZKNY-AZUAARDMSA-N 343.467 2.746 0 50 EFAA CN(Cc1ccnc2ccccc12)[C@@H]1CCOC2(CCNCC2)C1 1857680695 MTBDKZXFHHKDPD-QGZVFWFLSA-N 325.456 2.968 0 50 EFAA O=C(c1ccccc1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857684338 JOTVHFXAYNWJLV-FQEVSTJZSA-N 336.391 2.576 0 50 EFAA CC(C)(C)NC(=O)NCCS(=O)(=O)[C@H]1CCCc2ccccc21 408514043 NVODDPWUPFCXBQ-HNNXBMFYSA-N 338.473 2.577 0 50 EFAA CCn1cc(CN2CCCN(c3ccnc(C(C)C)n3)CC2)cn1 110573300 UXYMOWOQVQCKTO-UHFFFAOYSA-N 328.464 2.529 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ncc(Br)cn2)C1 225513155 LSGSLDWHVDTMQP-STQMWFEESA-N 338.180 2.691 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)ccc1F 643889932 PSAHBXKZPFCVAW-HNNXBMFYSA-N 344.390 2.668 0 50 EFAA COc1ccc(OC)c(COC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)c1 12420206 WSYOLZVNRJITHS-UXLLHSPISA-N 337.460 2.844 0 50 EFAA COc1cc(C(=O)N2CCC[C@H]([C@@H](C)N)C2)ccc1OCC(C)C 156316018 HANCEYGFMJGNKJ-ZBFHGGJFSA-N 334.460 2.929 0 50 EFAA COC(=O)N[C@H](C(=O)Nc1cccc(-c2ncco2)c1C)C(C)C 497199804 DXGVSNIDOSMDQO-AWEZNQCLSA-N 331.372 2.969 0 50 EFAA COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)c(F)c1 392556613 UZCSLMMMMLGSSM-INIZCTEOSA-N 329.327 2.659 0 50 EFAA CC(C)(C)C(=O)Nc1ccc(-c2ccc3c(c2)OCCNC3=O)cn1 904756717 BOUPUOMNFDPFPI-UHFFFAOYSA-N 339.395 2.855 0 50 EFAA CN1CCC[C@]2(CO)CCN(C(=O)c3scc4c3CCCC4)C[C@@H]12 1704335696 DMQKTNJYCJHCJQ-VQIMIIECSA-N 348.512 2.546 0 50 EFAA C[C@@H](OC(=O)C1(n2cnnn2)CC1)c1cc(Cl)ccc1Cl 849996690 MCVPJSBKDVDZTM-MRVPVSSYSA-N 327.171 2.773 0 50 EFAA Cc1cc(NC(=O)CN[C@H]2CC3(CCC3)Oc3ccccc32)n(C)n1 932216793 HFIIEYVCOSRHMY-HNNXBMFYSA-N 340.427 2.703 0 50 EFAA CC(C)c1ccc(-n2nnc(C(=O)NCc3ccccc3)c2N)cc1 16648891 XEJZBZMNJJDUEP-UHFFFAOYSA-N 335.411 2.903 0 50 EFAA COc1c(CN2CC[C@](N)(c3ccccc3)C2)cnn1-c1ccccc1 2325788189 RRNLJAGLCMTOHR-OAQYLSRUSA-N 348.450 2.941 0 50 EFAA O[C@@H](CN1CCC[C@@H]1Cc1cc2ccccc2o1)Cn1cccn1 2325790940 YYNMCOXGCHWSFB-SJORKVTESA-N 325.412 2.697 0 50 EFAA Cc1nccn1CCc1noc(-c2ccc(N3CCCC3=O)cc2)n1 2325812810 IMYKCMUIYRRLRA-UHFFFAOYSA-N 337.383 2.611 0 50 EFAA N[C@H](CNC(=O)c1ncc2ccccn12)c1cc(F)cc(Cl)c1 2325857604 IJAUKJAIIATOEM-CQSZACIVSA-N 332.766 2.557 0 50 EFAA O=C(NC(=S)NC[C@H]1CCCO1)c1ccc(Cl)cc1Cl 315053 NFZZGKCXDMFYKZ-SECBINFHSA-N 333.240 2.777 0 50 EFAA COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Br)cc1 319212 RIYQPKDTWIBZHR-LBPRGKRZSA-N 328.206 2.767 0 50 EFAA COc1ccc(C2(CNC(C)=O)CCC(OC(C)=O)CC2)cc1OC 344047 JTOFCDVHLIDRKW-UHFFFAOYSA-N 349.427 2.583 0 50 EFAA biogenic CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc(F)c(F)c2)C1=O 2356139560 SCUKKJLSIILOHR-SFHVURJKSA-N 336.382 2.970 0 50 EFAA Cc1cc(-c2cnc3cncc(N4CCC(O)CC4)n23)ccc1F 2356145232 HGXOCMDLTQQGQS-UHFFFAOYSA-N 326.375 2.805 0 50 EFAA O=C(NC(=S)Nc1ccc(Br)cn1)c1ccco1 4082368 XYAUPFPBHYRFTR-UHFFFAOYSA-N 326.175 2.564 0 50 EFAA Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1 4272385 TXTDIRCTNNMOAZ-UHFFFAOYSA-N 338.436 2.962 0 50 EFAA Cc1cc(C)nc(SCC(=O)Nc2cccc3nsnc23)n1 6425514 RKKGZIWPZVOEPL-UHFFFAOYSA-N 331.426 2.829 0 50 EFAA CSc1ccc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 282898430 ZWVDFUJRWNNOHH-SNVBAGLBSA-N 348.877 2.713 0 50 EFAA Cc1ccc(-c2nc(N3CC[C@H](C(N)=O)C3)c3ccccc3n2)s1 420582370 IMHBJGGADLHHDO-LBPRGKRZSA-N 338.436 2.978 0 50 EFAA Cc1ccccc1[C@H](CN1CCOCC1)N[C@H]1C[C@H](C)O[C@H](C)C1 248504298 VLSGXEWIJMKERW-DMUMMCEESA-N 332.488 2.914 0 50 EFAA Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1NS(C)(=O)=O 10112477 KAJGIQMBDYUYEE-CYBMUJFWSA-N 344.436 2.958 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 65426132 UFPKRIIJCYAYAQ-GOSISDBHSA-N 335.411 2.773 0 50 EFAA Cc1noc2c1[C@H](c1cc(Cl)ccc1OCC(=O)O)CC(=O)N2 65370898 NHJVHZGHXSHUSW-JTQLQIEISA-N 336.731 2.574 0 50 EFAA CCOC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C)c(F)c2)C1 252482085 CXPRYJRSEZJQFP-CQSZACIVSA-N 337.395 2.506 0 50 EFAA Cc1cc(C)n(C[C@@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)n1 229492736 YAEUSOYNNXELAP-ZWKOTPCHSA-N 347.434 2.543 0 50 EFAA Cn1cc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cn1 229559528 JTMIUYRLNHRXCG-SZMVWBNQSA-N 330.476 2.738 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)C1=Cc2cc(Cl)ccc2OC1 229713980 ZKUPEOFMUVCZRZ-CVEARBPZSA-N 332.831 2.859 0 50 EFAA COc1c(C)cnc(CN(C)C(=O)C2CCN(C(C)C)CC2)c1C 65374595 HPFDXRFAYDMUGO-UHFFFAOYSA-N 333.476 2.786 0 50 EFAA COCC(=O)NC[C@@H](C)Oc1ccc(CN(C)C2CCCCC2)cc1 11881648 VFBHOXASFDKWMM-MRXNPFEDSA-N 348.487 2.981 0 50 EFAA CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)c1ccc(-n2cncn2)cc1 230093027 PYKYRHVAAIEMLL-ARFHVFGLSA-N 327.384 2.628 0 50 EFAA CC1=CC[C@@H]2CN(S(=O)(=O)c3ccc(-n4cccn4)cc3)C[C@@H]2C1 72161230 SGUDYMDPLBXNMX-CVEARBPZSA-N 343.452 2.849 0 50 EFAA Cn1ncc2c(N3CCC(OCc4ccc(F)cc4)CC3)ncnc21 121768664 IQOXVLHWYXWUMN-UHFFFAOYSA-N 341.390 2.688 0 50 EFAA CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 253419897 LOOCGQFYNQWSPS-CHWSQXEVSA-N 349.374 2.502 0 50 EFAA O=C(N[C@H]1CSC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 342969 PGAMNPSQOQDEBO-HOTGVXAUSA-N 327.405 2.757 0 50 EFAA biogenic CCCC(=O)Nc1cc(C(=O)Nn2c(C)cc(C)cc2=O)ccc1C 67675135 KAGZIUYEWYSAER-UHFFFAOYSA-N 341.411 2.896 0 50 EFAA CC(C)n1cnc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 328586579 HMKTXTZPMRQFLO-UHFFFAOYSA-N 346.456 2.514 0 50 EFAA O=c1[nH]c2ccccc2c(=O)n1CCOCc1ccc(Cl)cc1 124166554 WUUBZONFHYFNLK-UHFFFAOYSA-N 330.771 2.560 0 50 EFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1Cc2ccccc2O1 72423410 UCHJEDANDUXPNP-LJQANCHMSA-N 333.391 2.834 0 50 EFAA CCn1nc(C)c(CCNC(=O)c2cccc([C@@H]3CCNC3)c2)c1C 72161708 XFOZTULRGSVJJK-GOSISDBHSA-N 340.471 2.569 0 50 EFAA COCC[C@@H](C)S(=O)(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 330907449 CGINBZNDPYBNIF-CHWSQXEVSA-N 347.864 2.548 0 50 EFAA COc1c[nH]c(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O 72144219 FNOVQMTUWBAJIA-UHFFFAOYSA-N 340.423 2.506 0 50 EFAA COCCn1cncc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72172813 JZEYTFLWPYZBNO-KRWDZBQOSA-N 343.406 2.882 0 50 EFAA Nc1cccc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)n1 219593424 VRBYOHFSYOIFPN-OAHLLOKOSA-N 325.412 2.997 0 50 EFAA CCOC[C@@H]1CCCCN1C(=O)c1cnc(-c2ncccn2)s1 458060884 DVNNNILJOPOBBF-LBPRGKRZSA-N 332.429 2.631 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 375998757 LDDBEYURVSMHOG-AWEZNQCLSA-N 329.400 2.928 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1 237082853 ZBWYBEBYETXCIY-CQSZACIVSA-N 346.862 2.906 0 50 EFAA COCCn1c(C)c(C)c2cc(C(=O)N(CC(=O)O)C3CC3)ccc21 237133095 QCUCYSAOWISUQK-UHFFFAOYSA-N 344.411 2.594 0 50 EFAA C[C@@H](Oc1cccc(F)c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O 262770764 ABTCLEXHBDJWDM-CXAGYDPISA-N 345.370 2.747 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(C)C 77516400 MQOUAEKLWRIOCX-ZWKOTPCHSA-N 334.435 2.768 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 241439869 NNALMRKFLCNDJW-DOTOQJQBSA-N 334.460 2.827 0 50 EFAA C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)CCO1 241586441 OVZQFAGIHOXDPI-MNEFBYGVSA-N 328.456 2.502 0 50 EFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cn[nH]c1 242047878 VQULJIDCTITNTP-WMLDXEAASA-N 327.432 2.784 0 50 EFAA O=C(O)c1cnc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)cn1 263433526 UKXAWAIEQAGNIZ-UHFFFAOYSA-N 347.321 2.552 0 50 EFAA CCOC(=O)C1=C(C(=O)OCC)CC2=C(CC(C#N)=C(C#N)C2)C1 43198991 RCGHBBJXPGXUMB-UHFFFAOYSA-N 326.352 2.637 0 50 EFAA Cc1ncsc1CSc1nnc(CN)n1-c1ccc(F)cc1 426551784 JPYYIAKJIQPJCN-UHFFFAOYSA-N 335.433 2.922 0 50 EFAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)c2ccccc2n1 178154782 WSRJVFNJZIGISI-UHFFFAOYSA-N 342.395 2.639 0 50 EFAA CC(C)[C@@](C)(CN)NC(=O)c1ccc(N(C)c2ccccc2)nc1 178159147 HRBPWVYHISYBHY-LJQANCHMSA-N 326.444 2.953 0 50 EFAA O=C(c1onc2c1CCCC2)N1CC[C@H](Cc2cccc(CO)c2)C1 426700088 SGEARZNUGUKIFT-OAHLLOKOSA-N 340.423 2.751 0 50 EFAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 82098194 HVNIDWUXHHQUHF-FQEVSTJZSA-N 348.462 2.721 0 50 EFAA CCOC(=O)C[C@H]1COCCN1Cc1nc(-c2ccc(C)o2)oc1C 20998115 KRHNZBSCFHBUCO-AWEZNQCLSA-N 348.399 2.705 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95392710 OPDDYZQDJWNUNZ-MRXNPFEDSA-N 341.411 2.755 0 50 EFAA COc1ccccc1N1CCN(c2nc(CO)cs2)CC1(C)C 96164636 RXCQSGGVXMIZMD-UHFFFAOYSA-N 333.457 2.749 0 50 EFAA CCCCCc1nnc(NC(=O)c2nn(C)c(C)c2Cl)s1 421448032 GLTBEJFZGWKMLT-UHFFFAOYSA-N 327.841 3.218 0 50 EFAA O=C(O)[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(F)c1 95530754 WTUBIBSSRQZBLC-HNNXBMFYSA-N 331.318 2.939 0 50 EFAA CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)s1 294136805 KSSIOPSFGRSODC-NHYWBVRUSA-N 345.468 2.791 0 50 EFAA O=C(CSCCN1CCCC1)N1CCC(c2ccncc2)CC1 244874473 XBUUOULYGLTANY-UHFFFAOYSA-N 333.501 2.617 0 50 EFAA O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CC[C@@H](O)CC1 244734372 NEGBRPZGNQNCNG-CPUCHLNUSA-N 336.863 2.834 0 50 EFAA CNc1nc(C)cc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)n1 297737403 OOCVTJOUGNKRIU-CYBMUJFWSA-N 325.416 2.702 0 50 EFAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 298606361 LOFUOEKOHGLSEC-LBPRGKRZSA-N 337.466 2.798 0 50 EFAA C[C@H](c1cccc(Cl)c1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1 299739792 RJNUQTHTNFSMGJ-SJKOYZFVSA-N 336.863 2.753 0 50 EFAA CC(=O)N(C)c1ccc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cc1 299794507 KZEIBHKWVSIKPN-GOSISDBHSA-N 338.407 2.855 0 50 EFAA COCCC(=O)N1CCC(Nc2nc(C(F)(F)F)cs2)CC1 269266733 BWXGAERXPMPAAM-UHFFFAOYSA-N 337.367 2.601 0 50 EFAA CCc1c(NC(=O)N[C@H]2C[C@H](C(=O)O)C2)cnn1-c1ccccc1C 871656832 XYLVGYNDVZAOEQ-JOCQHMNTSA-N 342.399 2.728 0 50 EFAA c1sc(N2CCOCC2)nc1-c1nnc2n1C[C@H]1CCC[C@@H](C2)C1 1875290352 WBSAKPOKZLPOAZ-OLZOCXBDSA-N 345.472 2.601 0 50 EFAA CC(C)c1cccc(CNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 1875262237 VMFCSTVWNZNNII-QGZVFWFLSA-N 341.459 2.622 0 50 EFAA O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)N[C@@H]1CCC[C@@H]1Cc1ccccc1 1875299358 ILPBSERCMUIUEP-LCEIHVTHSA-N 328.412 2.560 0 50 EFAA C[C@H](NC(=O)N1C[C@@H](O)C[C@H]1C1CC1)c1cccc2cccnc12 1875278381 UXWIBBBEPHWPOW-NUTKFTJISA-N 325.412 2.851 0 50 EFAA CCCc1c(NC(=O)N[C@H]2C[C@H](C(=O)O)C2)cnn1C1CCCC1 1875269626 IITNEGBNQGDNLS-HAQNSBGRSA-N 334.420 2.935 0 50 EFAA C[C@H](NC(=O)c1cnn2c1NCC[C@@H]2C(F)(F)F)c1cccnc1 1875283072 FBSSKDJJUCSOGN-JOYOIKCWSA-N 339.321 2.688 0 50 EFAA C=CC(=O)N1CCC(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)CC1 1875369357 JUKYOBMLFBFKML-MRXNPFEDSA-N 328.456 2.809 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2OCC(F)F)CC1 1875369494 RNCFCHJIJOJVJV-UHFFFAOYSA-N 338.354 2.694 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2ccn(CCC)c2)cc1 1875373898 UCOGDUNWGGJHBV-UHFFFAOYSA-N 325.412 2.977 0 50 EFAA O=C(c1cnc2ccccc2c1)N1CCCN(C(=O)C2CC=CC2)CC1 940576844 IUOIKULYVSGAPB-UHFFFAOYSA-N 349.434 2.876 0 50 EFAA CC(C)NC(=O)c1ccc(NC(=O)CCN2CCCCCC2=O)cc1 952990920 JXBXEMLFBHZNNH-UHFFFAOYSA-N 345.443 2.556 0 50 EFAA Cc1ccc2nc(CN(C)C(=O)[C@@H]3CC(=O)OC34CCCC4)[nH]c2c1 952970773 TUUUUGJYUOIVLA-ZDUSSCGKSA-N 341.411 2.706 0 50 EFAA Cc1cnc2c(C(=O)Nc3ccc(N4C(=O)CC[C@H]4C)cc3)cnn2c1 952968581 KOMDSGAPFCDHJZ-CYBMUJFWSA-N 349.394 2.805 0 50 EFAA COc1cnc([C@@H]2CCCN2C(=O)c2cccc3cc[nH]c23)nc1O 889790962 BYSHJRXPQIYGMT-ZDUSSCGKSA-N 338.367 2.649 0 50 EFAA Cn1ncc(CN2CCC(NC(=O)c3ccsc3)CC2)c1C1CC1 891802922 GQXDOZYTIBIJBV-UHFFFAOYSA-N 344.484 2.753 0 50 EFAA Cc1ncccc1CCNC(=O)N[C@H]1CCCN(c2ccccc2)C1 893030254 KUVYKKJXJFRZCG-SFHVURJKSA-N 338.455 2.901 0 50 EFAA CC1(C)C[C@H](NC(=O)Nc2ccncc2Br)CCO1 272679271 NAELRPWBXAFKGY-SECBINFHSA-N 328.210 2.923 0 50 EFAA C[C@@H]1CCCC[C@H]1OCCNC(=O)C[S@@](=O)c1ccccc1F 170667526 VQKFULCCKWMGQB-BZHBSQSBSA-N 341.448 2.645 0 50 EFAA CCSCc1ccccc1C(=O)N1CC[S@@](=O)C[C@H](C)C1 280106657 MZWLUHVKWXCJAT-LRTDBIEQSA-N 325.499 2.780 0 50 EFAA COc1cc2c(N3CCC[C@@H]3c3cnn(C)c3)ncnc2cc1F 302180554 QJXYMOCKXDQXRI-OAHLLOKOSA-N 327.363 2.853 0 50 EFAA CCC1(CC)CN(C(=O)c2ccc3ccccc3n2)CC[S@@]1=O 186720533 GPQUBZDOCQCDIX-QHCPKHFHSA-N 330.453 2.998 0 50 EFAA CSc1cncc(N(C)CC(=O)Nc2ccccc2SC)n1 302827858 NTDAGIJRQPHDBI-UHFFFAOYSA-N 334.470 2.995 0 50 EFAA Cc1ccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c2cccnc12 187551325 WNQDXXBVLVEQHO-CQSZACIVSA-N 344.436 2.697 0 50 EFAA COC(=O)c1cc(NC(=O)CCNC(=O)OC(C)(C)C)c(C)s1 408520324 WFIYTVKYSLFGMF-UHFFFAOYSA-N 342.417 2.696 0 50 EFAA CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)CO)CC2)c1 408520263 ZGKDEBLEVZYUQP-UHFFFAOYSA-N 334.416 2.732 0 50 EFAA CCCn1c(C(=O)N[C@H](C)CN2CCCC2=O)cc2ccccc21 190095807 IIGGHDQOBHAFEI-CQSZACIVSA-N 327.428 2.792 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CCc2ccoc2)C1 190524077 ZQCLUSQCAYSECX-INIZCTEOSA-N 347.484 2.958 0 50 EFAA CCc1nc(C2CCN(C(=O)c3cccnc3NC(C)C)CC2)n[nH]1 191536621 LWYQDICACQFGIB-UHFFFAOYSA-N 342.447 2.602 0 50 EFAA O=C(CCc1ccncn1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 191820229 XRCRAEMMORSLOC-IBGZPJMESA-N 343.402 2.521 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2cn[nH]c2)c(C(F)(F)F)c1 194938944 ITSMOUYOIDQZQV-UHFFFAOYSA-N 335.307 2.628 0 50 EFAA CN(C)c1ncnc2c1ncn2Cc1ccccc1Br 195523672 IKFKDFBGHDQCFQ-UHFFFAOYSA-N 332.205 2.703 0 50 EFAA CCN(CC(=O)NCCc1cccc(Cl)c1)C[C@@H]1CCCCO1 1529154063 WWFDLKULOHQQRL-KRWDZBQOSA-N 338.879 2.890 0 50 EFAA CNC(=O)c1cccnc1NC[C@H]1CCN(Cc2ccccc2C)C1 1529146021 UEROYTXXMRXOPE-MRXNPFEDSA-N 338.455 2.684 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CC(C)(C)c1ccccc1 1704325412 LERDHAAZJKWARN-UHFFFAOYSA-N 342.487 2.976 0 50 EFAA COc1ccc(F)c(CN2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772811482 XJUXONZYIURQJE-UHFFFAOYSA-N 330.403 2.913 0 50 EFAA COc1cccc(C(=O)[C@H]2CCCN(Cc3cn(C)nc3C)C2)c1 11754203 PQVUDMYXCPQPER-INIZCTEOSA-N 327.428 2.832 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 12138237 LOXGBBDPLLFZGG-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA CC(C)Nc1ncc(CN2CCC(n3cc(C4CC4)nn3)CC2)cn1 19228068 MBQAJIMFNRTBDO-UHFFFAOYSA-N 341.463 2.603 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2cnn3ccn(C)c23)C[C@H](C(C)C)O1 1857723194 XYDOEMWKUWXVBZ-GDBMZVCRSA-N 332.448 2.729 0 50 EFAA O=C(COc1ccccc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225540180 JXRFHRFEJALTTE-GDBMZVCRSA-N 333.334 2.678 0 50 EFAA Cc1cc(NS(=O)(=O)c2cnn(C3CCC3)c2)cc2n[nH]cc12 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COc1ccc(NC(=O)[C@H]2CCCO2)cc1NC(=O)c1ccco1 4520033 CREAEWBKDSYESE-CQSZACIVSA-N 330.340 2.658 0 50 EFAA CC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2 4957761 WGEJFSJRXZFCKW-UHFFFAOYSA-N 337.423 2.970 0 50 EFAA Cc1ccc(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 10009797 JSOJBOKSRPLTHM-UHFFFAOYSA-N 346.452 2.880 0 50 EFAA O=C(CCCn1cccn1)N1CCCN(Cc2ccc(F)cc2)CC1 51468587 USAFZAAFSTZMCB-UHFFFAOYSA-N 344.434 2.537 0 50 EFAA C[C@@H]1CO[C@H](c2ccccc2)CN1[C@H]1CCN(CC(F)(F)F)C1=O 247414256 CUTSMZQXFWLURO-SNPRPXQTSA-N 342.361 2.612 0 50 EFAA CC(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 134644374 ONOFYCHBDOSYNL-UHFFFAOYSA-N 341.249 2.558 0 50 EFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCOCC2)ccc1F 102178247 QFRZENAJIUBPGB-BCDXTJNWSA-N 346.446 2.703 0 50 EFAA COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 59740454 QQZYYTCDHFGFIE-CYBMUJFWSA-N 348.443 2.927 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nccn2C(C)C)on1 345961413 SACQQOXTMBSJGA-HOTGVXAUSA-N 349.454 2.805 0 50 EFAA CSc1ccccc1NC(=O)CCC(=O)NC[C@@H]1CCCCO1 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337.423 2.959 0 50 EFAA Oc1nncc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Cl 356797762 UEKPRJRVHYFZCV-UHFFFAOYSA-N 345.786 2.901 0 50 EFAA CC[C@H](C)Cn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O 67935103 KOIRIXBWAXRYBQ-HNNXBMFYSA-N 328.460 2.606 0 50 EFAA CN1CCC[C@@H](CNC(=O)CC2=CCCCC2)[C@@H]1c1ccnn1C 284620784 PGOZKWXMVBWZLC-QFBILLFUSA-N 330.476 2.810 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1 216150496 AYZAQYNGYJEEIX-HNNXBMFYSA-N 348.406 2.735 0 50 EFAA CC1(C)[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)C[C@H]21 174077628 LRSQBQMDVHNVJC-CALCHBBNSA-N 326.440 2.653 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCOc1ccccc1 77487918 QFFSVSDZGGZFJT-IBGZPJMESA-N 338.451 2.971 0 50 EFAA C/C=C/CN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77539030 RGDUAMKJBLWDGG-NUALSEBGSA-N 327.472 2.905 0 50 EFAA O=C(Nc1nc2ccc(Cl)cn2n1)c1cc2c(s1)CCOC2 157025745 XLXNFMWHBAHKKS-UHFFFAOYSA-N 334.788 2.769 0 50 EFAA COc1cc2ncn(Cc3ccc(F)cc3F)c(=O)c2cc1OC 32533031 DRHBQSUJIJNTCR-UHFFFAOYSA-N 332.306 2.740 0 50 EFAA 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COc1ccc2c(C)c(C(=O)N[C@@H](C)Cc3cnccn3)oc2c1 91351123 BGASRWHHNIHAPX-NSHDSACASA-N 325.368 2.901 0 50 EFAA CC(C)N1CCC[C@]2(CCN(Cc3nc(-c4ccco4)no3)C2)C1=O 91486979 ZENRRGMRVGMSAJ-GOSISDBHSA-N 344.415 2.553 0 50 EFAA COCCNC(=O)c1ccc(NC(=O)N2CC=C[C@H]2C(C)C)c(C)c1 97698920 IAYGZZIVHGOVRY-KRWDZBQOSA-N 345.443 2.800 0 50 EFAA Cc1nccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91848326 GLBFLXUZJKDUGH-QGZVFWFLSA-N 334.427 2.809 0 50 EFAA CCCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)n(C)n1 96130477 NMJQIMXDBLMOIF-UHFFFAOYSA-N 329.429 2.650 0 50 EFAA Cc1nc(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)c(C)o1 295236447 ASFOYTIBYPVJOV-SNVBAGLBSA-N 325.409 2.715 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2scc3c2OCCO3)N(C)C)cc1 299791613 FSRSXRUWUQMLIH-AWEZNQCLSA-N 346.452 2.860 0 50 EFAA O=C(O)[C@@H]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)C1 268935985 HMNOTWOZRXCALS-SNVBAGLBSA-N 336.438 2.737 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc3c(c1)CC(C)(C)O3)CC2 299794714 MQHBEUIRFLJXGJ-IMFGXOCKSA-N 331.456 2.904 0 50 EFAA CC[C@H](C)Cc1nc(CN2CCCC2=O)n(-c2cccc(C)n2)n1 822620048 RYVDOWKOZCJQIL-ZDUSSCGKSA-N 327.432 2.682 0 50 EFAA CC(C)c1nsc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)n1 952994819 VBXAVVKQQMOTBI-QMMMGPOBSA-N 346.382 2.990 0 50 EFAA COc1cccc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c1F 1875274663 QAKICOWOQXNSTF-UHFFFAOYSA-N 338.379 2.620 0 50 EFAA O=C1C[C@@H](c2nc(-c3cc(C4CC4)[nH]n3)no2)CN1c1ccccc1 1875286442 SXYXWKJSBPAVNQ-GFCCVEGCSA-N 335.367 2.858 0 50 EFAA COc1cc(F)ccc1-c1ccc(NC(=O)[C@H]2CCCNC2)nc1 1875291572 DQHQXJWEOYWQDH-ZDUSSCGKSA-N 329.375 2.834 0 50 EFAA C[C@@H]1CN(c2ccc(CN=c3c(F)c[nH]cc3Cl)cn2)CCO1 1875286440 SQVOJXQVCATKBN-LLVKDONJSA-N 336.798 2.528 0 50 EFAA CCC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2N=c2[nH]c3ncc(Cl)cc3o2)C1 1875332299 ONIGZWIZIRLESE-CYZMBNFOSA-N 348.834 2.747 0 50 EFAA C[C@H](NC(=O)/C=C/CN(C)C)[C@H](c1ccccc1Cl)n1cccn1 1875375889 RYNIFNKXJCUJIK-ODQBSRQPSA-N 346.862 2.748 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@]2(C[C@H]2C(=O)O)C1 1875304628 PVTKHQWCRCKPEW-NHYWBVRUSA-N 342.317 2.736 0 50 EFAA 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COc1cccc(C[C@@H]2CCCN2C(=O)NC[C@H]2C[C@@H](N(C)C)C2)c1 654658377 OXGCMLKEGNNVGB-OKZBNKHCSA-N 345.487 2.752 0 50 EFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ncccc2C)cc1 762378861 RJZKHJDMKCJJLT-YLJYHZDGSA-N 340.423 2.911 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)c2cc3cccc(F)c3o2)(C(=O)O)C1(C)C 685024394 VTSNAIJFRQMYFE-SCLBCKFNSA-N 349.358 2.960 0 50 EFAA CCC[C@H](N)C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704358230 GXOVNPLVVTWRTB-INIZCTEOSA-N 341.455 2.686 0 50 EFAA COc1c(C)cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1C 1613882164 XUYFUINPUBHSQV-ROUUACIJSA-N 340.423 2.695 0 50 EFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC1CCCCC1)C2 12571564 PDHAXWJSIJCYJC-SNVBAGLBSA-N 349.456 2.686 0 50 EFAA Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 14399121 NOSUJIMSKZNQCF-CYBMUJFWSA-N 339.395 2.591 0 50 EFAA O=C(Cc1ccc(Br)cc1)NCCN1CCCCC1 16603765 AOPINFCMIFSEKH-UHFFFAOYSA-N 325.250 2.594 0 50 EFAA Cc1cnc(-c2cccc(-c3ccn(CCCO)n3)c2)nc1N(C)C 19219676 QNBUXEKZFMHXJQ-UHFFFAOYSA-N 337.427 2.764 0 50 EFAA CCOc1cc(=O)n2c(c1C(=O)Nc1cccc(OC)c1)CCCC2 169755659 KQRLHJLSCGBHCH-UHFFFAOYSA-N 342.395 2.844 0 50 EFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NC(C)C)CC2 200598351 JIJSOSRNFZMSDB-MRXNPFEDSA-N 340.471 2.536 0 50 EFAA COc1ccccc1C=CCN[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C 1857533430 MACIFXNCQSBGHR-CRAIPNDOSA-N 328.456 2.945 0 50 EFAA Cc1nc(N2CCC3(CCc4c(O)nc(C(C)(C)C)nc43)CC2)no1 1857735542 FCBZTIJGJPZAMI-UHFFFAOYSA-N 343.431 2.656 0 50 EFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ccnc(C(C)C)n2)cn1 328643858 YZXHYCCATYGXHE-CJNGLKHVSA-N 328.420 3.089 0 50 EFAA Cc1cc2c(N[C@H]3CCCN(c4nccnc4O)C3)ncnc2s1 328622548 ILPRJNIUOZPZLG-NSHDSACASA-N 342.428 2.576 0 50 EFAA Cc1cc(N2CCC[C@@H](Nc3ncnc4c(F)cccc34)C2)n(C)n1 333018155 CTUAQWCMVWGUOW-CYBMUJFWSA-N 340.406 2.892 0 50 EFAA COc1ncnc(OC)c1C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 333706576 FTNPEAFIHDCGPH-CQSZACIVSA-N 333.432 2.925 0 50 EFAA Cc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)[nH]c2c1 237887253 HVPMNXUBPAKQKL-CQSZACIVSA-N 330.384 2.572 0 50 EFAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 237942059 LAFRFKHKGKJGNF-KCPJHIHWSA-N 326.799 2.506 0 50 EFAA CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CCCOC1 132901884 BYWRPZVCSAIZHZ-LRDDRELGSA-N 326.824 2.825 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1cnn2ccccc12 345806108 MJZFWIRKWYSLHL-AWEZNQCLSA-N 347.733 2.683 0 50 EFAA CN(c1cccnn1)C1CCN(c2ccc(Br)cn2)CC1 253423997 VUVIGYSIDGIANC-UHFFFAOYSA-N 348.248 2.739 0 50 EFAA O=C(Cc1ccccc1CO)N[C@H]1CCCOc2cc(F)ccc21 779835680 WQNYDIQLPNJDKN-KRWDZBQOSA-N 329.371 2.891 0 50 EFAA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccnc2c1ncn2C 367277755 KEEFCPVOPLBIEX-ZDUSSCGKSA-N 335.411 2.844 0 50 EFAA CCOc1ccc(CNC(=O)N2CCC(n3ccnc3)CC2)cc1 264080389 CPILBGUKHQTHAL-UHFFFAOYSA-N 328.416 2.829 0 50 EFAA Cn1cccc1[C@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 164031098 SBAAYHKSBGRSEJ-GOSISDBHSA-N 341.386 2.788 0 50 EFAA Cc1ccc(NC(=O)[C@H](C)Sc2nnc3nc[nH]n23)c(Cl)c1 1653105941 HHKIMUTZWHSBSK-QMMMGPOBSA-N 336.808 2.534 0 50 EFAA CO[C@H](C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1)C(C)C 909628537 KYOGXHRMJPTLGE-ZNMIVQPWSA-N 339.819 2.638 0 50 EFAA CC1(C)[C@@H](CNC(=O)Cn2cc(C(=O)O)c3ccccc32)C1(F)F 909986367 IEVKYPHOMWTJIP-CYBMUJFWSA-N 336.338 2.747 0 50 EFAA CNC(=O)c1cccc(CNC(=O)Nc2cnn(C3CCCC3)c2)c1 914188339 ZNHKNOSKXKWLIV-UHFFFAOYSA-N 341.415 2.680 0 50 EFAA O=C(c1cc(Cl)cc(Cl)c1O)N1C[C@H](O)CC(F)(F)C1 935584652 AXHNVVDCJSMYLO-SSDOTTSWSA-N 326.126 2.541 0 50 EFAA C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1 5059784 XNZAWPLSAIQBPO-GXFFZTMASA-N 328.206 2.512 0 50 EFAA COC(=O)[C@@H]1CCC2(CCN(C(=O)OCc3ccccc3)CC2)C1=O 1565504964 FCLLGTNWVWYOCR-OAHLLOKOSA-N 345.395 2.558 0 50 EFAA Cc1cc(Br)cnc1CN1CC(C)(C)C[C@H]1C(=O)O 2325773304 HWKWZTYNLGQUBF-LBPRGKRZSA-N 327.222 2.838 0 50 EFAA COC1(CCN2C(=O)CCN(C[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)C2=O)CCC1 2325779795 CZNLOAWDAKWSGI-UGUYLWEFSA-N 334.460 2.892 0 50 EFAA C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc2c(nn1)CCCC2 2325792530 NQUOPEOPSVFBGA-DYZYQPBXSA-N 327.359 2.747 0 50 EFAA Cc1cccnc1[C@@H]1CCN(C(=O)COc2ncnc3ccccc23)C1 2325813016 CIFQFYIICUVBEX-OAHLLOKOSA-N 348.406 2.728 0 50 EFAA O=C1C[C@H](CO)CN1c1ccc(-c2cccc3nsnc23)cc1 2325861391 OKWDFROZTRXBGX-NSHDSACASA-N 325.393 2.704 0 50 EFAA Cc1ccc(S(=O)(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)cc1Cl 872002147 SUPFLIQUNWHPEB-DZGCQCFKSA-N 343.832 2.666 0 50 EFAA Cc1nn(CC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c(=O)o1 901000443 VNTJKQVMCDOSAU-FLVLSHQESA-N 341.411 2.629 0 50 EFAA COc1ccc(S[C@H](C)c2nnnn2C)cc1Br 919611833 WCSULQNTQNYTJP-SSDOTTSWSA-N 329.223 2.835 0 50 EFAA COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 116992 FEHHKDKPQUOLSY-UHFFFAOYSA-N 343.166 2.860 0 50 EFAA O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)c1ccccc1 612871 ABEWZJVIYUECSY-UHFFFAOYSA-N 325.393 2.615 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356143330 CUQGLXCHSCCOJY-FQEVSTJZSA-N 347.422 2.716 0 50 EFAA COc1ccccc1N1CCN(C(=O)Cn2ccc3ccccc32)CC1 4676515 ARNOIEQZFJJUBG-UHFFFAOYSA-N 349.434 2.999 0 50 EFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 6746145 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0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 252477373 MRDLKAWPCLGGHR-BHIYHBOVSA-N 343.467 2.885 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1cnn(-c2ccccc2)c1 126012482 NKJCGNSHBWBZBF-CYBMUJFWSA-N 338.415 2.662 0 50 EFAA COc1ccc([C@@H](C)CN2CCO[C@](C)(c3cnn(C)c3)C2)cc1 230129704 WSMPWEQGGDYYFB-KXBFYZLASA-N 329.444 2.780 0 50 EFAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCN(C)C)cc1 10312663 FRKXFYHYYBAAPO-UHFFFAOYSA-N 325.412 2.539 0 50 EFAA COC(=O)c1c(NC(=O)c2ccnn2C(F)F)sc2c1CCC2 2780682 PSOWHZHXKQWZSZ-UHFFFAOYSA-N 341.339 2.867 0 50 EFAA Cn1ncc(Cl)c1-c1nc2c3c4c(sc3ncn2n1)CCC4 2785686 NLEXJBCWYYDJHV-UHFFFAOYSA-N 330.804 2.882 0 50 EFAA CC[C@H]1NC(=O)NC(C)=C1C(=O)NCc1c(F)ccc(Cl)c1F 67804401 WEMBVEBDAKDLAP-LLVKDONJSA-N 343.761 2.600 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253396873 QTJKGRXYJAOWLF-QXAKKESOSA-N 343.471 2.838 0 50 EFAA CCOc1cc(F)ccc1NC(=O)c1ccc(OC)c(OCCO)c1 253418672 GYEAVVAOJFUVHD-UHFFFAOYSA-N 349.358 2.856 0 50 EFAA COc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1Cn1cncn1 215810299 CNTQBSIKRWHSOS-HNNXBMFYSA-N 337.427 2.923 0 50 EFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)COCC(F)(F)C(F)F 218972240 BVRLKVUKDSDWMQ-MRVPVSSYSA-N 340.342 2.862 0 50 EFAA CN(Cc1ccccc1OCCn1ccnc1)C[C@@H]1CCCCO1 215963514 VLUNLCHZMAABDM-SFHVURJKSA-N 329.444 2.963 0 50 EFAA COc1ccc([C@@H](NC(=O)CCC2CCCC2)C2CC(O)C2)cn1 219592406 MBEWKCLQJLFNRE-LADRWXRNSA-N 332.444 2.989 0 50 EFAA CC(=O)c1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 36385734 UWPRIKQULIUDOH-HXUWFJFHSA-N 330.472 2.700 0 50 EFAA FC(F)(F)Cc1noc(CN2CCC[C@H](c3ccncc3)C2)n1 333660651 GUCCZCINFZPOEN-LBPRGKRZSA-N 326.322 2.949 0 50 EFAA CC(C)[C@@H]1CN(C(=O)C2CC2)CCC(=O)N1Cc1ccc(F)cc1 71735570 JHJBHCNHFQLKCX-KRWDZBQOSA-N 332.419 2.821 0 50 EFAA NC(=O)COc1cccc2c1CCCN2CCc1ccc(F)c(F)c1 451666295 UEJJZDFPYHRBLT-UHFFFAOYSA-N 346.377 2.824 0 50 EFAA Cc1ccc(C)c(OCCCCC(=O)N2CCO[C@H](CC(=O)O)C2)c1 262710924 FJZDLOXZQJULLE-MRXNPFEDSA-N 349.427 2.555 0 50 EFAA CC(C)[C@H]1CN(c2cc(N)ncn2)CCCN1Cc1ccc(F)cc1 71746202 JFQOQECGUNSBSN-QGZVFWFLSA-N 343.450 2.935 0 50 EFAA CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)C3CC3)CC2)cc1 175218018 CMGNLMZCKJBADH-CQSZACIVSA-N 344.455 2.852 0 50 EFAA COc1ccnc(N2CCC(C(=O)Nc3cccc(F)c3C)CC2)n1 175329960 SASZBTAHFWHCCV-UHFFFAOYSA-N 344.390 2.788 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2cc(F)ccc21 286786448 ORHUGSYBLOYBCS-GDBMZVCRSA-N 329.375 2.709 0 50 EFAA CC(C)N(C)c1ccc(CNCc2ccc3c(c2)OCCO3)cn1 242273815 YFZLJGIELKEQQM-UHFFFAOYSA-N 327.428 2.987 0 50 EFAA CCN1C[C@H](C)N(C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C 341909583 PKALUKRACMGSBM-SVFBPWRDSA-N 345.531 2.692 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1ccc(Cl)s1 222639404 FABQNBFLCXQNGA-BPCQOVAHSA-N 336.844 2.909 0 50 EFAA CCn1cc(Cl)c(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 20602679 GIEFZBDVMKQTQB-UHFFFAOYSA-N 341.864 2.994 0 50 EFAA O=C1OCC2(CCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)O1 426501920 SYDHRGGKXMPFPS-HNNXBMFYSA-N 330.384 2.775 0 50 EFAA CCSc1nc(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)cs1 222960028 NEONXFNJIILPMY-ZDUSSCGKSA-N 347.465 2.997 0 50 EFAA COc1ccc(CN(C)C(=O)[C@H](C)n2ccnc2C)c2cccnc12 426727552 VXKGEUQDOVRWHN-ZDUSSCGKSA-N 338.411 2.968 0 50 EFAA Cc1cc(N2CCC(CS(C)(=O)=O)CC2)c2cccc(F)c2n1 292450830 ZCXVRMISDWXYAB-UHFFFAOYSA-N 336.432 2.943 0 50 EFAA CCN(CC)CCNC(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 22241647 MJQLBCVEMRBZGG-GOSISDBHSA-N 345.531 2.960 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(OC(C)C)cc1)CC2 426551772 HXKWNZLNCCQWRS-HHXXYDBFSA-N 333.428 2.618 0 50 EFAA O=C(NCc1ccc2cc[nH]c2c1)[C@@H]1CC(=O)N(C2CCCC2)C1 91915037 LCSGYRHMKQTKLQ-OAHLLOKOSA-N 325.412 2.575 0 50 EFAA COc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)cc2c1OCO2 97578447 COTISDRHIGMANK-UHFFFAOYSA-N 337.379 2.900 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCN[C@@H](c2ccccc2)C1 91997442 DTEMULBNYQOGGX-LJQANCHMSA-N 332.407 2.863 0 50 EFAA CCOC(=O)[C@H]1CCC(=O)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)OCC 141159622 BVNQPMYHIBQWQA-NUEKZKHPSA-N 336.359 2.631 0 50 EFAA CCc1ccccc1OC1CN(C(=O)CCn2cc(Cl)cn2)C1 91848681 HPKXBLZGJJCKAH-UHFFFAOYSA-N 333.819 2.779 0 50 EFAA Cc1ccccc1[C@H](C(=O)NCCNc1ncccc1C)N(C)C 95368854 GAPZMUIPEDQNRX-QGZVFWFLSA-N 326.444 2.529 0 50 EFAA COC(=O)C1(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)CC1 162830666 VFNUUCOAHZIAGX-UHFFFAOYSA-N 325.324 2.715 0 50 EFAA CC(=O)N1CCC[C@@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)C1 95508593 LVLLVKMBLGEPLL-MRXNPFEDSA-N 339.439 2.901 0 50 EFAA Cc1cnc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)[nH]1 91441555 UQRQBAKAQWFARC-IBGZPJMESA-N 330.476 2.865 0 50 EFAA Cn1ccnc1SCCNC(=O)c1c[nH]nc1C1CCCCC1 91535513 LKKYSQOZCVJAMX-UHFFFAOYSA-N 333.461 2.713 0 50 EFAA O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1-c1nc[nH]n1 97756400 MQIPFHWYCAVZFC-HNNXBMFYSA-N 342.786 2.589 0 50 EFAA Cc1cc(NC(=O)CN(Cc2ccccn2)Cc2ccco2)no1 244795207 RBMYGJFKHJLGOD-UHFFFAOYSA-N 326.356 2.612 0 50 EFAA Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncnc1 296250282 IRAOXTYJYREWCL-HNNXBMFYSA-N 342.399 2.990 0 50 EFAA Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cn1 244673596 HSDBBFWUIUQVJL-SCTDSRPQSA-N 338.407 2.567 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2ncccc2c1 244734576 NIESFSYDFPRBNI-JTDSTZFVSA-N 333.391 2.872 0 50 EFAA Cc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@](C)(F)C2)n1 297871620 QEGLJDUROLNQIM-INIZCTEOSA-N 332.383 2.635 0 50 EFAA Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@H]2C[C@@H](O)C2)n1 252552411 URSKJCBYQAOGEC-HDICACEKSA-N 349.438 2.880 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)Nc2ccncc2F)C1 184237585 BWQWZQIOCNZYGA-LBPRGKRZSA-N 330.363 2.630 0 50 EFAA CC(C)(C)C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)C1CC1 252480656 CBWPAMCFBONDQI-KRWDZBQOSA-N 339.501 2.757 0 50 EFAA O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCn1cncn1 357993366 QYCQULKCZINJFY-UHFFFAOYSA-N 341.371 2.556 0 50 EFAA CC(C)SCCNC(=O)N1CCC[C@@H](OCc2ccccn2)C1 534670022 HRHZJOYLJTYZPY-MRXNPFEDSA-N 337.489 2.914 0 50 EFAA COCCn1ccc2c(OCC(=O)NCCc3ccco3)cccc21 263587534 HWNAXNWHXXVJGJ-UHFFFAOYSA-N 342.395 2.618 0 50 EFAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nnn[nH]1 263588174 QBGLQSNKJAFAGQ-INIZCTEOSA-N 332.367 2.773 0 50 EFAA CS(=O)(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 185251275 YQQFFMOKDDKSKS-NSHDSACASA-N 325.377 2.755 0 50 EFAA Cc1[nH]nc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)c1C 299795408 LKTWUJNVPGFNGG-UHFFFAOYSA-N 340.471 2.871 0 50 EFAA Cc1nc([C@@H]2CCCNC2=O)n(-c2ccc(Cl)cc2Cl)n1 828307352 CKCXZTNOWFEWBP-JTQLQIEISA-N 325.199 2.876 0 50 EFAA COc1cccc(-n2cc(CNC3CSCCSC3)cn2)c1 824792482 HVRWPRAZKPCIQZ-UHFFFAOYSA-N 335.498 2.819 0 50 EFAA CC(C)C1=NO[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 827792007 UYGHUUORWDKCJC-SFHVURJKSA-N 330.428 2.995 0 50 EFAA CCCc1cc(CNS(=O)(=O)c2cc(OC)c(C)cc2C)on1 670473290 KJEQKBRIJRTOFN-UHFFFAOYSA-N 338.429 2.731 0 50 EFAA O=C(CSc1ccccn1)NCCN1CC[C@@H](c2ccccc2)C1 670454423 WRMMFLZANKURDR-QGZVFWFLSA-N 341.480 2.779 0 50 EFAA O=C(CN1CCc2ccccc2C1)NCc1ccccc1-n1ccnc1 670456921 AZSJZXDRYWHZPE-UHFFFAOYSA-N 346.434 2.547 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CSc3nnc(C)o3)CC2)c1 670451165 ZCFFKSQLSDYMNI-UHFFFAOYSA-N 346.456 2.564 0 50 EFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cn1 952889837 ICTGMTRVXVTWDQ-GFCCVEGCSA-N 334.763 2.524 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1875273979 QZNLIGODBDGZHO-TULHTLCESA-N 327.371 2.962 0 50 EFAA CNS(=O)(=O)c1ccc(N2CC[C@H]3CCCC[C@H]3C2)c(F)c1 1875255402 VKSZNEHACRPXRC-OLZOCXBDSA-N 326.437 2.750 0 50 EFAA CN(CCc1ccncc1)C(=O)c1ccc(Nc2ncccn2)cc1 1875263216 NBQCZHSZEPHDCC-UHFFFAOYSA-N 333.395 2.930 0 50 EFAA COc1cc(F)ccc1-c1ccc(NC(=O)[C@@H]2CCCNC2)nc1 1875291571 DQHQXJWEOYWQDH-CYBMUJFWSA-N 329.375 2.834 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC=C(c4ccccn4)C3)n[nH]c21 1875395237 SKSNQVSFEOIJRX-OLZOCXBDSA-N 338.411 2.756 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Oc3nccs3)cc2)cn1 1875381473 WHQDEYCWIOBSRB-SPLOXXLWSA-N 342.424 2.932 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccccc2)c(C)c1 952988634 OOTWAGOLALVSEE-UHFFFAOYSA-N 339.395 2.712 0 50 EFAA COC(=O)c1sc(NC(=O)C2SCCS2)nc1C1CC1 271154339 QVFDBURIEHCRQI-UHFFFAOYSA-N 330.456 2.552 0 50 EFAA CCNC(=O)c1cccc(NC(=O)c2ccccc2-n2cnnc2)c1C 952989536 QZDJIKZEXMIAJJ-UHFFFAOYSA-N 349.394 2.578 0 50 EFAA COc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1C1CC1 886044851 FPXGQUKCFNTYCW-FUHWJXTLSA-N 341.411 2.566 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2nc(C3CC3)nc3c2CCC3)C1 1775957449 VMDQVVPOROLPFB-SWLSCSKDSA-N 341.415 2.501 0 50 EFAA CC(C)(C)OC(=O)N1CC2(CC[C@@H](N[C@@H]3CCc4c[nH]nc4C3)C2)C1 1775985457 HSVQMMUEJBDYRH-HUUCEWRRSA-N 346.475 2.646 0 50 EFAA Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2C)c2cccnc12 1338105471 RMWMNVOBRSCLKZ-CQSZACIVSA-N 337.427 2.811 0 50 EFAA Cc1ncc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)s1 1565531339 DCQUHFLFCAAVST-CABCVRRESA-N 332.425 2.531 0 50 EFAA O=C(O)c1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)ccc1O 633138295 IVILDCSSDOSYHM-AUUYWEPGSA-N 339.347 2.769 0 50 EFAA CC(C)n1cc(C(=O)OC[C@H]2CC(=O)N(c3ccccc3)C2)cn1 170605056 SIRHJDXBMMIAMY-AWEZNQCLSA-N 327.384 2.674 0 50 EFAA CN1CCO[C@H]([C@@H](NCc2ccccn2)c2ccc(Cl)cc2)C1 222049464 RWQJUIFAEFVBGT-ROUUACIJSA-N 331.847 2.897 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 225448846 IURRNDYLSYFFTB-ZDUSSCGKSA-N 345.365 2.579 0 50 EFAA CC(C)[C@@H](CNS(=O)(=O)C1CCOCC1)Cc1ccccc1 191152435 ZCEUZUMGOOQNJX-MRXNPFEDSA-N 325.474 2.600 0 50 EFAA Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(CC(=O)O)c1 195542609 JLTOYQRBMIJILN-UHFFFAOYSA-N 337.326 2.703 0 50 EFAA Cc1ccc([C@@H](C)[C@@H](O)C(=O)N2CCn3c2nc2ccccc23)cc1 677918383 BFVISQBRLPGKKH-RDTXWAMCSA-N 335.407 2.856 0 50 EFAA C/C(=C\C(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1)c1cccc(F)c1 794471405 CNACAGHSOLWUCG-AFUDNCBHSA-N 345.374 2.909 0 50 EFAA COCCOC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210077071 CDMUINYEBVJHRC-MSOLQXFVSA-N 329.396 2.773 0 50 EFAA Cc1cnn(CCCN2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c1 212862288 YHPSFKPUCAMGJX-MSOLQXFVSA-N 327.428 2.690 0 50 EFAA COc1nccnc1N1C[C@H]2CCN(Cc3ccc(C)s3)[C@H]2C1 219916638 FDSPQPOHNIBEAC-HIFRSBDPSA-N 330.457 2.566 0 50 EFAA C[C@H](COCC(F)(F)F)NC(=O)c1ccc(Br)cn1 340112937 AGXZYMAIDNMBGY-SSDOTTSWSA-N 341.127 2.541 0 50 EFAA CSCC[C@@H](C)N1CCCN(C(=O)c2ccn(C(C)C)n2)CC1 1775979939 QAUDKDHYLHCSTK-OAHLLOKOSA-N 338.521 2.754 0 50 EFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)C2CC2)C1 11878488 SSKCCJISWNVJOG-IBGZPJMESA-N 333.403 2.950 0 50 EFAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12002089 CZGGUSONTNQLQR-AWEZNQCLSA-N 336.457 2.767 0 50 EFAA COc1cccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1 12371591 DRJWQDGBGIBZTB-AWEZNQCLSA-N 336.351 2.508 0 50 EFAA CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 12381933 AOJFVYQUXBJPOV-UHFFFAOYSA-N 331.460 2.976 0 50 EFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](Nc2ccccc2)C1 12438949 OHCVGDQGSFNPCJ-MRXNPFEDSA-N 328.416 2.663 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 12475827 KCENNSCNUMLSAJ-OAHLLOKOSA-N 343.427 2.532 0 50 EFAA COc1cc(-c2nc(CN(C)[C@H]3CCOC3)c(C)o2)cc2c1OCO2 15076710 AABLSPJTHBJJAQ-ZDUSSCGKSA-N 346.383 2.608 0 50 EFAA O=C(N[C@@H]1CCc2ccccc2OC1)c1ncccc1Br 338049585 IJAOXHCEKUMTPU-GFCCVEGCSA-N 347.212 2.968 0 50 EFAA O=C(c1ccc2nn[nH]c2n1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 416244829 RKJXBKFPHQOKGT-NSHDSACASA-N 339.321 2.548 0 50 EFAA CCc1cc(N2CCC[C@H](NC(=O)c3ccc(Cl)o3)C2)ncn1 112497501 IUWGMNTUIIFWPH-LBPRGKRZSA-N 334.807 2.684 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2CCCc3sccc32)C1 328608827 BJOIJFNXCKQXRZ-MRVWCRGKSA-N 347.440 2.848 0 50 EFAA Cn1c(C(=O)N(CC(=O)O)C2CC2)cc2cc(C(F)(F)F)ccc21 237708706 NQIMNDGINGRTJM-UHFFFAOYSA-N 340.301 2.886 0 50 EFAA O=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCO1 238129793 KPGNCSBQCTYBAF-MRXNPFEDSA-N 347.317 2.557 0 50 EFAA CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 242001151 VDHNRQCZDTUOFD-GVAFMPQTSA-N 342.395 2.743 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc3c2=O)C1 342829697 FPARAAOSVZPTMV-LLVKDONJSA-N 334.803 2.680 0 50 EFAA COc1ccc([C@H](NC(=O)NC2CCN(C)CC2)C(F)(F)F)cc1 155145782 DGYTYUKWGYRGKN-AWEZNQCLSA-N 345.365 2.692 0 50 EFAA O=C(c1ccc2ccc(Cl)cc2n1)N1CC(F)(F)C[C@@H]1CO 372548873 VXYGKBGTTAPPJJ-LLVKDONJSA-N 326.730 2.730 0 50 EFAA CCN(CCNC(=O)c1ccc(-c2ccccc2)nc1O)C1CC1 263702287 IUFPVZQDOVUJOG-UHFFFAOYSA-N 325.412 2.668 0 50 EFAA Cc1ncc(C)c(N2CCCN(C(=O)Oc3ccccc3)CC2)n1 496792192 DXFYIOZEBLUMJW-UHFFFAOYSA-N 326.400 2.805 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 2325788162 QHBQCPGYKNMWLJ-KRWDZBQOSA-N 347.390 2.527 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCn4nccc4C3)cc2)c1C 2325791543 NCJZQIKNNCHZFP-OAHLLOKOSA-N 335.411 2.887 0 50 EFAA O=C(c1ccccc1)N1CCC(CNCc2ccn3nccc3c2)CC1 2325801441 INYXSWOVMIEZCR-UHFFFAOYSA-N 348.450 2.976 0 50 EFAA N[C@H]1CCc2nc(C(=O)Nc3ccc4ccc(Cl)cc4n3)cn2C1 2325856573 VTRWRKOYXXTBLN-LBPRGKRZSA-N 341.802 2.611 0 50 EFAA CN(C)[C@H](CN=c1nc2sccc2c(N)[nH]1)c1cccc(F)c1 2325857025 MIUNRKIZNUCEAX-CYBMUJFWSA-N 331.420 2.549 0 50 EFAA Cn1nc(CN)cc1C(=O)N1CC=C(c2cccc3ccccc23)C1 2325858464 OJSMNQWXYBRFCY-UHFFFAOYSA-N 332.407 2.571 0 50 EFAA COC[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 245289793 FEPMXSHENAYPHZ-GHJWDPDVSA-N 342.842 2.871 0 50 EFAA O=C(Cn1nnc2ccccc21)Nc1ccc(Br)cc1 187447 QQOJQIZUMOMIQW-UHFFFAOYSA-N 331.173 2.833 0 50 EFAA COc1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 390752 KBFFTOLKWWRKBR-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(C)c1 620272 FSSVKVAYERNFDL-UHFFFAOYSA-N 346.452 2.871 0 50 EFAA CN1C(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2C1=O 1066859 YPWCRORTLPHLMG-UHFFFAOYSA-N 337.360 2.774 0 50 EFAA COc1ccc(C)cc1NC(=O)CCCCCN1C(=O)CCC1=O 2866846 FKPAMWNLRABQLO-UHFFFAOYSA-N 332.400 2.652 0 50 EFAA COc1ccc(CCNCc2cc(OC)c3c(c2)OCO3)cc1OC 2903435 UCJPQDDAGSVRFZ-UHFFFAOYSA-N 345.395 2.773 0 50 EFAA Cc1ccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4142169 KCAUCQNOPXUCJP-IAGOWNOFSA-N 342.420 2.607 0 50 EFAA CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6697524 UIVIEWACLTXTTB-UHFFFAOYSA-N 344.864 2.653 0 50 EFAA CCn1ncc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 6699509 NZDFDPWPSPZHKQ-UHFFFAOYSA-N 349.334 2.911 0 50 EFAA O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc2ccccc12 6725782 LDFZYYOGPVPNMQ-UHFFFAOYSA-N 346.434 2.996 0 50 EFAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 7708211 WDCNRKFUXBBYRK-UHFFFAOYSA-N 334.372 2.753 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 9154118 NRGFCFNIYOMBMZ-UHFFFAOYSA-N 330.815 2.787 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 101198043 FGLZXUUMILEIGI-GVAFMPQTSA-N 348.196 2.672 0 50 EFAA CC(C)(CN1CCN(c2ncc(Cl)cn2)CC1)N1CCCCC1 65535588 PKNCEFUGXICZNZ-UHFFFAOYSA-N 337.899 2.517 0 50 EFAA CC(C)Cc1nc(CCn2cncn2)n(-c2cccc3cccnc23)n1 65370903 AJJIEEQUCWXDLW-UHFFFAOYSA-N 347.426 2.848 0 50 EFAA CC(C)S(=O)(=O)c1ccc(Cn2cnc(C(C)(C)C)cc2=O)cc1 351778864 HFOXRXZJAIHZIN-UHFFFAOYSA-N 348.468 2.771 0 50 EFAA COc1cccc(C(=O)N(C)Cc2cc(C3=CCCN(C)C3)no2)c1 67490284 HVNMSSRTMDBSQH-UHFFFAOYSA-N 341.411 2.674 0 50 EFAA Cc1cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ncn1 428300798 IJMOAPZMZAGCGY-MRXNPFEDSA-N 335.354 2.960 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c(=O)[nH]1 12208497 ANYXOBQDKRZAIA-INIZCTEOSA-N 345.487 2.909 0 50 EFAA Cn1nccc1CCN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 283308422 XWXSLZSOCZUDCW-BBRMVZONSA-N 339.361 2.789 0 50 EFAA Cc1cc(N2CC[C@]3(CC(=O)c4ccccc4O3)C2)n2nccc2n1 72477006 OOJLZNIWMXMKJV-IBGZPJMESA-N 334.379 2.652 0 50 EFAA CCCC(=O)Nc1cccc(NC(=O)c2ccnc(C(=O)O)c2)c1 362482875 BKHNNWXLDVHTIU-UHFFFAOYSA-N 327.340 2.771 0 50 EFAA CC[C@@H]1Oc2cc([C@H](C)Nc3cc(Cl)nc(N)n3)ccc2NC1=O 173997342 PMGQLFGLSIUSSV-KWQFWETISA-N 347.806 2.995 0 50 EFAA CCc1ccc(C(=O)N2CCc3ccsc3C2)cc1S(C)(=O)=O 154871360 YIWZNHNOZSJLOT-UHFFFAOYSA-N 349.477 2.913 0 50 EFAA CCc1nc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 77319182 QFOKZJNEKZRDNG-IBGZPJMESA-N 348.491 2.883 0 50 EFAA Cc1cc(CN2CCC(N(C)C[C@@H](O)c3ccccc3F)CC2)on1 370169650 QUAWWWJXZFZKKU-LJQANCHMSA-N 347.434 2.752 0 50 EFAA O=C(NCc1ccccc1)N1CCC(CO)(C[C@@H]2CCCCO2)CC1 15064180 FBKABOFQBZKFPY-SFHVURJKSA-N 346.471 2.930 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](O)(CN3CCCC3)C2)ccc1Cl 77301219 MFZIEYLHMVMZLP-SFHVURJKSA-N 336.863 2.711 0 50 EFAA COC[C@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC(C)(C)O1 284896539 AZUDKWJFRMVSIU-CQSZACIVSA-N 334.391 2.502 0 50 EFAA CC[C@@H](NCC1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1F 130213999 XGKZBYACJRMIHI-MRXNPFEDSA-N 346.443 2.677 0 50 EFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3cc(C)no3)O2)CC1 215050944 RKOHSJOUWMXHOZ-MRXNPFEDSA-N 347.459 2.693 0 50 EFAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2ccccc2F)c1 71748950 NYKMHCJNIKJVDZ-UHFFFAOYSA-N 337.372 2.878 0 50 EFAA CN1CCN([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 215281300 QSZXEWKMZZQVLH-OAQYLSRUSA-N 349.478 2.816 0 50 EFAA CC[C@@H](C(=O)N1CCC2(CCCO2)CC1)N1Cc2ccccc2C1=O 71748641 JZEYIKWDTVPARQ-KRWDZBQOSA-N 342.439 2.593 0 50 EFAA COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)O)c(C)n2)cc1OC 263359497 SZERYUFMGWDVDC-SNVBAGLBSA-N 344.367 2.596 0 50 EFAA C/C(=C\C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc(F)cc1 286046126 BKPCQQHCOFFWFX-CPFXZCKGSA-N 333.403 2.617 0 50 EFAA CN1CCC[C@@H](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 72424184 UVMVWPLYAAMFIE-KRWDZBQOSA-N 332.488 2.852 0 50 EFAA O=C(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1 72165100 JHUWSQCCYHRFGE-HNNXBMFYSA-N 349.477 2.961 0 50 EFAA O=C([C@@H]1CC12CCNCC2)N1CCC(Oc2ccc(F)cc2)CC1 77423139 ZFPRTPCZAKVWGR-KRWDZBQOSA-N 332.419 2.585 0 50 EFAA Cc1ccc(-c2ccsc2C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 176226926 TZXRRMQJFJJNIX-CQSZACIVSA-N 341.436 2.573 0 50 EFAA CC(C)(C)n1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1 221417757 SQFUUTFYGKXEGY-GOSISDBHSA-N 347.503 2.960 0 50 EFAA Cc1nc([C@@H]2CCCN2C(=O)c2c(C)nc3ccc(Cl)cn23)n[nH]1 426373563 BZENBDQBZVKIPH-LBPRGKRZSA-N 344.806 2.700 0 50 EFAA CCCCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCN(C)CC2 41128014 FHABINBGFOPHTJ-INIZCTEOSA-N 330.428 2.575 0 50 EFAA CCN1CCC[C@H]1CSc1nnc(CN)n1-c1ccccc1C 426693862 UIQURJDIVCJMMP-AWEZNQCLSA-N 331.489 2.611 0 50 EFAA Cc1cc(-c2cccc(C(=O)NCCCC(=O)N(C)C)c2)cc(C)n1 426723888 OEICRHTVVSBFFO-UHFFFAOYSA-N 339.439 2.964 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)C1(Cn2cccn2)CC1 91965698 ZLTFEQQWEPQSOM-KRWDZBQOSA-N 341.459 2.640 0 50 EFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(O)c(Cl)c1)C2 91650286 RQFDXZKEOKSUSA-HUUCEWRRSA-N 336.863 2.921 0 50 EFAA CC(=O)NCC(=O)N1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 91645700 AXBJQCKISIWVLQ-INIZCTEOSA-N 344.455 2.542 0 50 EFAA O=C(NCCN1CCC[C@@H](CO)C1)C1(c2ccccc2)CCCCC1 244873369 WOYJXXUXNXYKTN-GOSISDBHSA-N 344.499 2.709 0 50 EFAA Cc1nc(C)c2c(n1)O[C@@H](CN(C)Cc1cc(-c3ccccc3)n[nH]1)C2 244796140 RTTCKPRERDRXRG-QGZVFWFLSA-N 349.438 2.919 0 50 EFAA O=S(=O)(Cc1cccc(F)c1)N1CC[C@]2(C1)OCc1ccccc12 185133902 DVULDZZDTREHHK-GOSISDBHSA-N 347.411 2.787 0 50 EFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1ccc(F)cc1Cl 252527714 DESGEXXIBPNLMT-JDFRZJQESA-N 348.805 2.986 0 50 EFAA CCOc1ccc(C(=O)NCc2cncn2CC(C)C)cc1OC 823383973 KPWWFJSWKTZUDN-UHFFFAOYSA-N 331.416 2.876 0 50 EFAA CC(C)(C)C(=O)OCn1cc(-c2cncc(Br)c2)nn1 725270386 JUEOXQHUSPTOBK-UHFFFAOYSA-N 339.193 2.649 0 50 EFAA COc1cccc(CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)c1OC 824798226 QEJMQKKBJJZQSE-UHFFFAOYSA-N 344.411 2.824 0 50 EFAA CCOC(=O)c1cc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)c(C)[nH]1 584891074 RRUPQAUNOVYPED-OAHLLOKOSA-N 342.395 2.686 0 50 EFAA CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cnc3nncn3c2)cc1 584884574 BTWUQHCAGJAPAA-QGZVFWFLSA-N 333.395 2.972 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1cccc(F)c1F 165847795 YYDBILYDPMUOHC-STQMWFEESA-N 349.385 2.739 0 50 EFAA CC(C)Cc1nc(-c2ccc(-n3ccnc3)cc2)n(CCCO)n1 670464123 MZVNYWWKZSPYFD-UHFFFAOYSA-N 325.416 2.712 0 50 EFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(OCCO)cc1 952875981 GJZBQPHRUSMBFM-INIZCTEOSA-N 333.428 2.669 0 50 EFAA Cc1cc(C=O)c(O)c(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 1875367305 SZXUROZHZWRMJP-CYBMUJFWSA-N 327.384 2.564 0 50 EFAA Cc1cccc(NC(=O)C(=O)NCc2cc(C(F)(F)F)ccn2)c1 1875316940 JNIDRURZPXKUNR-UHFFFAOYSA-N 337.301 2.664 0 50 EFAA Cc1cc(Br)ccc1Cn1ccc(CS(C)(=O)=O)n1 1775994358 BDLNAPAEQYTCNU-UHFFFAOYSA-N 343.246 2.547 0 50 EFAA CCc1c(NC(=O)c2cccn3cnnc23)cnn1CCC(C)C 1775996693 DXLLIDVSGAZKIS-UHFFFAOYSA-N 326.404 2.787 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@@H]2C(F)(F)F 169618995 ROCWQIAJCZUVEC-JTQLQIEISA-N 336.354 2.702 0 50 EFAA in-vitro Cc1nnc(S)n1CCNC(=O)c1ccc(SC(C)C)cc1 170644549 BQXWNPYXDJDVMI-UHFFFAOYSA-N 336.486 2.806 0 50 EFAA C[C@@H](CN1CCC(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 170602976 UIWKXPNIDYHJJT-HNNXBMFYSA-N 334.435 2.500 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@]2(CCO[C@@H]2C)O1 279467316 WKVYJFFMKVRPMY-HFAKWTLXSA-N 344.333 2.509 0 50 EFAA O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1c1cc(N2CCSCC2)ncn1 408172288 UYHWRQVCOXAOPG-BZUAXINKSA-N 348.516 2.550 0 50 EFAA C/C(=C\C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1ccncc1 221975994 TZJQJVXNNQCOGJ-UKYUDJEDSA-N 340.379 2.578 0 50 EFAA CCc1cc2c(N[C@@H](C)C3(S(C)(=O)=O)CC3)nc(C)nc2s1 641592838 PSLSFWHCHSVIEX-VIFPVBQESA-N 339.486 2.940 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1csc(Cl)c1)CC2 191756416 FJMCORKNWNDNLY-VXGBXAGGSA-N 329.849 2.794 0 50 EFAA CC(C)Cn1nccc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653326765 KLKLNRUQIZFZGR-HUUCEWRRSA-N 327.384 2.582 0 50 EFAA C[C@@]1(CNC(=O)c2cc(Br)cc(C(=O)O)c2)CC1(F)F 659197499 DZYSHURQJMXNPX-LBPRGKRZSA-N 348.143 2.922 0 50 EFAA O=C1CC[C@@H](NCc2ccc3c(c2)OCCCO3)CCN1CC1CC1 1506419534 FDFHNCNJKOIUGX-QGZVFWFLSA-N 344.455 2.729 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1 1704308345 IHTWCRFIBDHLCV-UHFFFAOYSA-N 334.851 2.504 0 50 EFAA Cc1cc(C(N)=O)c(NC[C@H](c2sccc2C)N(C)C)nc1C 1704304390 QXUVUMAWHKNHQX-CQSZACIVSA-N 332.473 2.882 0 50 EFAA CCCOc1ccccc1-c1nnc(N2CCC[C@H]2C(=O)N(C)C)o1 1772706475 ZRDSIHRXYXCUEG-AWEZNQCLSA-N 344.415 2.582 0 50 EFAA O=C(COc1ccc(CN2C[C@H]3C[C@@H](O)[C@H]3C2)cc1)c1ccccc1 1772711504 ZLSCZEBOTUDOEU-YZGWKJHDSA-N 337.419 2.761 0 50 EFAA Cc1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)on1 11874526 NOEMFCZJDGOCOU-AWEZNQCLSA-N 333.432 2.561 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1F 11935264 YOZIVAKQQRRXKZ-CQSZACIVSA-N 331.391 2.961 0 50 EFAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCCN(C=O)CC1 11945175 LGWKTWRSLZLNMS-UHFFFAOYSA-N 335.354 2.592 0 50 EFAA O=C(NCCc1ccncc1)c1coc(COc2ccc(F)cc2)n1 12306696 PZNAVXZPAYGRNF-UHFFFAOYSA-N 341.342 2.760 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)c1 12864439 NCYFDBMSAADWGJ-HNNXBMFYSA-N 336.391 2.637 0 50 EFAA O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865623 MWKARCXPFGFVSW-LBPRGKRZSA-N 347.777 2.543 0 50 EFAA CN1CCC[C@H](Cn2ccnc2-c2cc3ccccc3n(C)c2=O)C1 1857689601 TWZGOCZQTBMEME-HNNXBMFYSA-N 336.439 2.744 0 50 EFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(c3nnc(C4CCC4)o3)C[C@H]21 1857708111 VRWYMCCSFGBENM-SPWCGHHHSA-N 331.416 2.775 0 50 EFAA CC(C)n1ncnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 225718812 KIDKFFLPLPVEOO-NSHDSACASA-N 342.369 2.981 0 50 EFAA CC1CCC(NC(=O)[C@H](C)Nc2ccn(CC(F)(F)F)n2)CC1 120813708 WRXUULAEUBHJEJ-CXQJBGSLSA-N 332.370 2.941 0 50 EFAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)O 237528319 NWXSEPAMXYCWIH-GWCFXTLKSA-N 329.318 2.960 0 50 EFAA C[C@H](NC(=O)N1CCOC2(CCOCC2)C1)c1cccc(F)c1F 133738632 MLLUUYBQIDBPSL-LBPRGKRZSA-N 340.370 2.617 0 50 EFAA C[C@H](c1nnnn1C1CC1)N1CCO[C@@H](c2cccc(Cl)c2)C1 248887812 RHPRPPCUMWQVDN-IAQYHMDHSA-N 333.823 2.796 0 50 EFAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1nc(N(C)C)no1 359003012 SXCLPDFTINABGX-JTQLQIEISA-N 337.811 2.692 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 261745072 OKDQSBLBLPMUKU-QMMMGPOBSA-N 331.290 2.669 0 50 EFAA Cc1ccc(S(=O)(=O)NCC2CC=CC2)cc1C(=O)OC(C)C 1663158835 OWCGWUNDJINZJP-UHFFFAOYSA-N 337.441 2.805 0 50 EFAA Cn1ccc([C@@H]2CCCN(C(=O)Nc3cc4ccccc4nn3)C2)n1 931799420 LWGZHFACVDCDCX-CQSZACIVSA-N 336.399 2.775 0 50 EFAA O=C(NC[C@H]1CCCC(F)(F)C1)c1ncoc1C1CCNCC1 2325795681 SUEQDHNJNMCUSA-NSHDSACASA-N 327.375 2.697 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C23CC2C3)C1 2325901779 XMVGEWPKKDMDMS-SHYRYGCCSA-N 328.412 2.879 0 50 EFAA CCOC(=O)Cc1csc2nc3sc4c(c3c(=O)n12)CCCC4 67611 FPBGJXZXWXBVDK-UHFFFAOYSA-N 348.449 2.955 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cccnc2)c2ccccc12 179524 ZUPPYFDJTOXSAR-UHFFFAOYSA-N 328.393 2.722 0 50 EFAA COc1cc(=O)n(C)c2c(OC[C@@H]3OC(C)(C)OC3(C)C)cccc12 199411 HFXBOPGUQAUMHA-HNNXBMFYSA-N 347.411 2.856 0 50 EFAA biogenic CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 516636 DMLPQVUHUSUIBX-UHFFFAOYSA-N 332.425 2.556 0 50 EFAA COc1ccc(C)cc1NC(=O)C(=O)Nc1cc(C)ccc1OC 2930294 OWKNEGRFMVSIKJ-UHFFFAOYSA-N 328.368 2.898 0 50 EFAA CCn1cc(C(=O)Nc2nc(C)cs2)c(=O)c2ccc(C)nc21 3373583 IRSVOCFABBSJBF-UHFFFAOYSA-N 328.397 2.742 0 50 EFAA COc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1 55120252 CDXPMYOKNRNGSE-KRWDZBQOSA-N 340.379 2.577 0 50 EFAA CCOc1ncccc1NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 135530081 AHGKWEUISWIJRX-LLVKDONJSA-N 346.353 2.581 0 50 EFAA CCOc1cc(N2CCN(c3ccccc3OCC)CC2)ncn1 135989605 NTZKLXUPGBPZTJ-UHFFFAOYSA-N 328.416 2.601 0 50 EFAA O=C(NCCCOC1CCCC1)c1ccc(N2CCOCC2)cc1 61253730 WRZDPECLTALRAV-UHFFFAOYSA-N 332.444 2.602 0 50 EFAA CCN1CCO[C@H](CCNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 67675471 BHCWGISXKLRWTN-OAHLLOKOSA-N 329.444 2.625 0 50 EFAA CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1nccs1 229858462 VYAYQWINCYHBRH-OCWCGTNQSA-N 343.518 2.973 0 50 EFAA Cc1nc(N(C)C)nc(NCc2csc(-c3cnccn3)n2)c1C 65408095 PXBFPMFPMYANBI-UHFFFAOYSA-N 341.444 2.685 0 50 EFAA CC(C)(C)Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)[nH]n1 151659702 OLWBHOJRRBZAFI-UHFFFAOYSA-N 335.429 2.654 0 50 EFAA CC1=NO[C@](C)(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)C1 67689159 VNIQZMNBZGWLFM-SFHVURJKSA-N 342.374 2.655 0 50 EFAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 67490300 YGKQPUGUQAJEGZ-HNNXBMFYSA-N 326.444 2.930 0 50 EFAA CC(C)c1ccoc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 283824022 DYCHUQWAUCSDHY-UHFFFAOYSA-N 349.408 2.846 0 50 EFAA CC[C@H](C(=O)N[C@@H](C)COCC(F)(F)F)N(C)Cc1ccccc1 253406208 WSRPPPHQADOLCM-DZGCQCFKSA-N 346.393 2.981 0 50 EFAA FC(F)(F)c1ccccc1[C@@H]1CN(c2ncnc3n[nH]cc23)CCO1 359084961 RXFZGCMCIJSYGK-ZDUSSCGKSA-N 349.316 2.950 0 50 EFAA Cc1ccc(N2CCCN(c3cncc(-c4ccccc4)n3)CC2)nn1 253432993 QOYHUHNMBYWYIJ-UHFFFAOYSA-N 346.438 2.959 0 50 EFAA CCN(CC(=O)N(CC)CCC(=O)OC)Cc1ccccc1Cl 253405319 KNKURGYZWFTCJZ-UHFFFAOYSA-N 340.851 2.574 0 50 EFAA C[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)C[C@]2(CCCOC2)O1 253432210 WZHOLRUUDYPTQM-UZLBHIALSA-N 339.439 2.842 0 50 EFAA CCc1noc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)n1 32500649 PAESXKCEWNUJDH-SECBINFHSA-N 330.413 2.577 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 237595430 PXCQDRADUDTTKZ-RNCFNFMXSA-N 345.226 2.720 0 50 EFAA CCc1nn(C)c(Cl)c1CN1CCN(c2cccc(O)c2)CC1 121620862 WCMBQOGNLUVXQC-UHFFFAOYSA-N 334.851 2.664 0 50 EFAA Cc1ncc(C(=O)N2CCCC[C@@H]2CCc2cccs2)c(=O)[nH]1 77322674 WIKQTCWKACTLOH-CYBMUJFWSA-N 331.441 2.767 0 50 EFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1[nH]c2ccc(F)cc2c1Cl 332247826 QSUHSYSQCPINBP-LBPRGKRZSA-N 337.782 2.701 0 50 EFAA CCCN1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@@H]1C(=O)O 72481070 PMJMHFCJJOKZEE-QGZVFWFLSA-N 331.460 2.541 0 50 EFAA CCCc1nc(N[C@@H](C)c2nncn2C(C)C)c2cnn(C)c2n1 72134593 BLMXEMKTGWHWFD-NSHDSACASA-N 328.424 2.661 0 50 EFAA Cc1ccc([C@@H]2CN(Cc3ccncc3)C[C@H]2NC(=O)C2CC2)cc1 77386261 PLWIZYXQZFFPEL-VQTJNVASSA-N 335.451 2.884 0 50 EFAA Cc1c(Cl)cccc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 284882543 SMCHODQNQJJPTK-KRWDZBQOSA-N 348.834 2.555 0 50 EFAA FC(F)COc1ncccc1CNC1CCC2(CC1)OCCO2 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342.447 2.659 0 50 EFAA CC(C)(C)N1C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CC1=O 96166404 ONMATXWLTURHQB-LLVKDONJSA-N 325.372 2.727 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(Cl)c1)C2 91270299 JZLUYJSLSZLPHM-JKSUJKDBSA-N 338.879 2.891 0 50 EFAA O=C(C1CCC1)N1CCC(C(=O)N2CCC[C@@H]2c2ccco2)CC1 95359634 FPFJPHZNKMKEIE-MRXNPFEDSA-N 330.428 2.982 0 50 EFAA COc1cc(F)c(CN2CC[C@@](O)(c3ccccc3)C2)cc1OC 97514467 OZHVEFUPJQMNKD-IBGZPJMESA-N 331.387 2.936 0 50 EFAA Cc1ccsc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1 91757687 WQDMXYIGFFMNPO-UHFFFAOYSA-N 346.500 2.834 0 50 EFAA O=C(NCCc1ccccn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 91270643 ZUPSCSRZRVKQCK-MRXNPFEDSA-N 343.471 2.702 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 91486866 BSGSKVDIWJUBFY-AUUYWEPGSA-N 329.444 2.600 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 268935125 BQRDOQKKTHGHHT-INIZCTEOSA-N 334.372 2.886 0 50 EFAA C[C@H](NC(=O)c1cnn2c1C[C@H](CN(C)C)CC2)c1cccs1 299741880 HMHOUNSTFACFBH-QWHCGFSZSA-N 332.473 2.560 0 50 EFAA CSc1cccc(C)c1NC(=O)N1CC[C@@H](N2CCOCC2)C1 184981343 RUYZCOSXTJACRG-CQSZACIVSA-N 335.473 2.655 0 50 EFAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC2(CCCCC2)C1 1875311786 AKMVUFBBPBCPIZ-KRWDZBQOSA-N 343.471 2.743 0 50 EFAA Cc1cc(=N[C@@H]2CC[C@@H](O)[C@H](C)C2)[nH]c(N(C)c2ccccc2)n1 1875360692 GIGPOXFVVGCXHL-FRFSOERESA-N 326.444 2.936 0 50 EFAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NC1CCC(F)(F)CC1 1875399803 JKRNKAOQHBHAIF-LERXQTSPSA-N 333.810 2.844 0 50 EFAA C=CC(=O)N1CC(C(=O)N[C@H](C)c2csc(-c3ccccc3)n2)C1 1875387377 FJQVFRSZGSTRDX-GFCCVEGCSA-N 341.436 2.632 0 50 EFAA Cc1cccc2nc(C(=O)Nc3ccc4nc([C@H](C)O)[nH]c4c3)cn12 952982265 KDBZJLCEEVJKMV-NSHDSACASA-N 335.367 2.825 0 50 EFAA O=C(Cc1cc(-c2ccccc2)on1)N1CCOC[C@@H]1CC1CC1 886464410 VMNLFLWSPIKMKI-KRWDZBQOSA-N 326.396 2.912 0 50 EFAA O=C(NC[C@H]1CCC=CCCC1)NC1CCN(c2cccnn2)CC1 894438626 DPZBWOOQYHMENK-INIZCTEOSA-N 343.475 2.881 0 50 EFAA Brc1ccc2oc(N3CCCn4nncc4C3)nc2c1 895203115 WBEOPZKAAQPDLK-UHFFFAOYSA-N 334.177 2.592 0 50 EFAA O=C(NCc1noc2cc(F)ccc12)NC[C@]12C[C@H]1COC21CCC1 896257824 UONBOJDGAPMKCK-APPDUMDISA-N 345.374 2.725 0 50 EFAA Cc1noc(-c2ccc(C(=O)N[C@](C)(CC(=O)O)C(C)C)cc2)n1 1775996529 IHRUCUUUZAZOHU-QGZVFWFLSA-N 331.372 2.664 0 50 EFAA CCOc1ccc(CC(=O)N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)nc1 1776007411 ARRNBJSBMGVGAZ-NHYWBVRUSA-N 328.334 2.824 0 50 EFAA Cc1cnc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c(C)c1 1339165160 CMRWPQFFPNZPMI-UHFFFAOYSA-N 349.316 2.690 0 50 EFAA O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1cnco1 980143103 ATLYRMYINIABEB-IXDOHACOSA-N 325.412 2.705 0 50 EFAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NCCc1ccc2ncccc2c1 899835939 QRNICRIBSTUBLS-HNAYVOBHSA-N 326.396 2.640 0 50 EFAA CN1C[C@H](c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)CC1=O 273652051 DLTIPUOGLZHLFQ-SNVBAGLBSA-N 341.289 2.505 0 50 EFAA O[C@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccccc1 279149412 ARHFUFZSZMFVOE-QZTJIDSGSA-N 340.471 2.918 0 50 EFAA CC(=O)SCCCCCCNC(=O)c1cnn(C)c1-n1cccc1 170600571 GVQHEHPPVZVUGF-UHFFFAOYSA-N 348.472 2.781 0 50 EFAA O=C(OCc1nc2ncc(Br)cc2[nH]1)[C@@H]1C[C@@H]1C1CC1 170656464 DJPJQYPLIVDITK-NXEZZACHSA-N 336.189 2.810 0 50 EFAA COc1ccc2c(N3CCC[C@@H]3c3cnn(C)c3)ncnc2c1F 281206486 CUXRRPXZKGIUAT-CYBMUJFWSA-N 327.363 2.853 0 50 EFAA NC(=O)c1cc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)ccc1F 680452541 DDLXFZSGKGNJCT-INIZCTEOSA-N 349.406 2.738 0 50 EFAA C[C@H]1CN(CCSc2nnc(Cc3cccs3)o2)CCO1 188309682 LSBPUKBXPRCRJI-NSHDSACASA-N 325.459 2.535 0 50 EFAA C[C@@H](NC1(CNc2ncc(F)cn2)CCOCC1)c1ccccc1 301798611 VHKHNXGUPCBSBW-CQSZACIVSA-N 330.407 2.928 0 50 EFAA COc1cc(CC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)ccc1C 408469686 JJIHCJHKKCTARF-OAHLLOKOSA-N 328.416 2.726 0 50 EFAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 221987881 XBQCDIITKUIQBY-QSOAKEGCSA-N 347.846 2.760 0 50 EFAA CNC(=O)c1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 225501532 PMTMXPDVOQGKJL-CRAIPNDOSA-N 346.377 2.632 0 50 EFAA O=C1[C@H](N[C@H](CCO)c2ccco2)CCCN1c1ccccc1F 192788113 BNMQCYKVKFCWQO-HUUCEWRRSA-N 332.375 2.627 0 50 EFAA COc1cccc(C2(NC(=O)Cc3ccc(C(=O)O)cc3)CC2)c1 648333374 NMECMQMLAISABM-UHFFFAOYSA-N 325.364 2.741 0 50 EFAA O=C(c1ccco1)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1506419087 XFVQCNIMKOERMS-KRWDZBQOSA-N 338.407 2.684 0 50 EFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)c1cc2ncccn2n1 1506399800 QFPUCQDDPVBWNS-UHFFFAOYSA-N 340.774 2.531 0 50 EFAA COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccncn2)cc1Cl 1506401588 NAXNABUUSPGUDR-JTQLQIEISA-N 341.820 2.520 0 50 EFAA CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cc1OCC 219308631 AAUVEYYNIQXKLY-ZBFHGGJFSA-N 332.444 2.650 0 50 EFAA Cc1ccc2c(c1)cc(CN1C[C@H](Cc3ccncc3)[C@@H](O)C1)n2C 1616084808 RAPUTLCNXWMNKN-RXVVDRJESA-N 335.451 2.917 0 50 EFAA COc1cccc(C[C@H]2CN(Cc3ccc4nonc4c3)CCO2)c1 14973442 HPPVSMIWOKAARU-KRWDZBQOSA-N 339.395 2.675 0 50 EFAA Cn1cc(C(=O)NC2CC(Cn3cccn3)C2)c(-c2cccs2)n1 1857528095 GZYVVOUOZYTMJG-UHFFFAOYSA-N 341.440 2.554 0 50 EFAA Cc1cc(C)c(-n2cccn2)c(-c2nccn2[C@H]2CC(=O)N(C)C2)c1 1857675596 FLQZWJOURUPNCK-HNNXBMFYSA-N 335.411 2.756 0 50 EFAA CCOC(=O)c1nccn1CC1(c2ccccc2)CCN(C)CC1 1857700298 RIHZNXXRADDIEF-UHFFFAOYSA-N 327.428 2.723 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2c(F)cccc2Cl)CC[C@H]1O 1875246456 IBSVUKDBLBIOIV-NVXWUHKLSA-N 341.810 2.917 0 50 EFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2C)n[nH]1 407982592 ZHGJQECJBHDORD-AWEZNQCLSA-N 330.436 2.740 0 50 EFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1 124305327 ROCBHDJLIVUFMH-WCBMZHEXSA-N 338.335 2.539 0 50 EFAA C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)O 237558924 QNSLBHDAVIZKND-YUSALJHKSA-N 345.317 2.868 0 50 EFAA O=C(CC1(C(=O)O)CCCCC1)Nc1cccc(-n2ccnn2)c1 128437895 WYYDWANTAFFJAM-UHFFFAOYSA-N 328.372 2.631 0 50 EFAA O=C(NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1)C1CC1 12041552 ONMJFOCTRAWAAI-CYBMUJFWSA-N 329.787 2.627 0 50 EFAA COCc1cccc(CN2C[C@H](NC(C)=O)CC[C@H]2C(F)(F)F)c1 344249865 TUDPLTCQLFNACT-CVEARBPZSA-N 344.377 2.864 0 50 EFAA CC(C)OCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 139686851 BDYBKYQTOWNFNY-UHFFFAOYSA-N 341.333 2.932 0 50 EFAA 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COCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 199460 NPFWNRGGAOLUHJ-UHFFFAOYSA-N 330.369 2.900 0 50 EFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 234739 WEAWSYNYTRKMHP-UHFFFAOYSA-N 330.453 2.760 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(F)c2)c1 860136 GDNJERQQZNFRJW-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA CC(C)Cc1nc(-c2cnc(-c3ccccc3)n2C)n(CCO)n1 2356158876 COEOBBYFUWZZRE-UHFFFAOYSA-N 325.416 2.536 0 50 EFAA CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 4537703 VWGMYBHXLOROND-UHFFFAOYSA-N 338.816 2.891 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 4809550 UVUAZUXVHSOVDF-UHFFFAOYSA-N 344.436 2.647 0 50 EFAA CC(=O)c1cccc(NCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)c1 101361258 NSUFMZYJEUINGB-CABCVRRESA-N 332.787 2.776 0 50 EFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@]23C=C[C@]12CCCCC3 104284220 BMOYBFFPXBWSOG-IDPBPBMLSA-N 347.418 2.973 0 50 EFAA Nc1nnc(SCC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1 22737917 NNWJEHBPNRVBPN-NSHDSACASA-N 338.433 2.715 0 50 EFAA Cc1c(F)cccc1NC(=O)CN[C@H](CC(C)C)c1ncnn1C 65490452 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346.412 2.811 0 50 EFAA COc1ccc(-n2ccnc2CN(C)Cc2noc(C3CC3)n2)cc1 97346744 ALPQCYQLLRRHLR-UHFFFAOYSA-N 339.399 2.773 0 50 EFAA Cc1nnc(CCNC(=O)c2cc3cccc(C)c3nc2C)s1 426389539 YCBAPDUZPGYLQS-UHFFFAOYSA-N 326.425 2.984 0 50 EFAA Cc1nccn1CCCNC(=O)C1CCN(C2CCCCC2)CC1 95385378 KYWSICLDAMYNRZ-UHFFFAOYSA-N 332.492 2.743 0 50 EFAA CN(CC[C@H](O)c1ccccc1)C(=O)CCc1n[nH]c2c1CCCC2 97766524 RXUBVBGYIQRHIK-IBGZPJMESA-N 341.455 2.803 0 50 EFAA O=C(CCCc1cn[nH]c1)N(Cc1ccc2c(c1)OCO2)C1CC1 97713646 OIUFQYKCXBNBBY-UHFFFAOYSA-N 327.384 2.652 0 50 EFAA CC(C)n1cnnc1CNc1nc(-c2cccnc2)nc2c1CCC2 269037164 KTORYKJRBLQYBM-UHFFFAOYSA-N 335.415 2.812 0 50 EFAA Cc1nc(-c2ccc(C)c(N3CCNC3=O)c2)n(CC(F)(F)F)n1 95503854 PUJGBHKIURIFRQ-UHFFFAOYSA-N 339.321 2.654 0 50 EFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1scc2c1OCCO2 95374041 GWSRJEFHTAXQIH-GFCCVEGCSA-N 345.420 2.891 0 50 EFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cccc3nccnc23)n1 97655564 VASMKEWDFQEASE-LLVKDONJSA-N 325.372 2.702 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)Cn2ccnc2-c2ccccc2)n1 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327.380 2.797 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 663032315 OTXFLQANJZYXNM-SFHVURJKSA-N 344.367 2.919 0 50 EFAA O=C(N1CCN(C2CCCCC2)CC1)C(F)(F)c1nccs1 756512329 WWADDCQMPMNCOC-UHFFFAOYSA-N 329.416 2.712 0 50 EFAA CC(C)n1cc(C(=O)NCC2CCN(c3ccncc3F)CC2)cn1 1506397567 AJVAOWYOOLYXEE-UHFFFAOYSA-N 345.422 2.645 0 50 EFAA CCC(=O)[C@H]1CCCN(CC(=O)NCCc2cccc(Cl)c2)C1 1529119506 ITTOLPFGNBZTOF-HNNXBMFYSA-N 336.863 2.690 0 50 EFAA C[C@@H](COc1cccc(F)c1)NCc1n[nH]cc1Br 1857531678 WXXFWVPVMHCFDJ-VIFPVBQESA-N 328.185 2.868 0 50 EFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(CCCC(F)(F)F)C[C@@H]1O 1704330798 GGYXDULKGOOEEQ-GOEBONIOSA-N 345.361 2.709 0 50 EFAA C[C@H](C(=O)N1CCCN(c2cnccn2)CC1)c1ccc(Cl)cc1 1772818301 CUEMRFNNMVTJKO-AWEZNQCLSA-N 344.846 2.972 0 50 EFAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC[C@@H](C)C2)nc1 11818985 XWVANYLKAADVIS-OAHLLOKOSA-N 341.459 2.714 0 50 EFAA CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 13944567 YJEZDLSOYIUIMH-LLVKDONJSA-N 330.413 2.797 0 50 EFAA CCOc1ccccc1-c1nc(CN2CCN(C(C)=O)CC2)c(C)o1 19299929 CNNRSWCGLSTVIQ-UHFFFAOYSA-N 343.427 2.713 0 50 EFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cccc2cccnc12 218839006 KVIYPJKYIZJQKR-ZHALLVOQSA-N 347.418 2.742 0 50 EFAA N=c1[nH]c2cc(C(=O)N[C@@H]3CC(=O)Nc4ccccc43)ccc2s1 1857715574 YGIASHVJDCPLJU-GFCCVEGCSA-N 338.392 2.522 0 50 EFAA CCCC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(OC)cc1 121936294 RIQYZIBCZUCKFF-KRWDZBQOSA-N 346.471 2.880 0 50 EFAA C[C@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1nc(C2CCCC2)no1 237589836 BSDQBMCHQKZURN-YPRXJGMQSA-N 332.448 2.825 0 50 EFAA Cc1[nH]ccc1C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 153028414 PVVKARJRDKVHTM-ZDUSSCGKSA-N 338.816 2.577 0 50 EFAA CCN(CC)C(=O)[C@H](C)N1CCC(c2ccccc2C(=O)O)CC1 364844177 YJKZDTZHNCIUQS-AWEZNQCLSA-N 332.444 2.821 0 50 EFAA Cc1ccccc1CN1CCCN(C(=O)C[C@](C)(O)C2CC2)CC1 366846074 YHJCBZCMVZPFOK-FQEVSTJZSA-N 330.472 2.580 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1F 264407605 YBUBEPWMPDYETJ-IRXDYDNUSA-N 335.375 2.577 0 50 EFAA CCn1cc(C(=O)NCc2cc(Br)cc(OC)c2)cn1 830421864 LKKVWABGEZGZGW-UHFFFAOYSA-N 338.205 2.604 0 50 EFAA CN1C[C@@H](CCNC(=O)Nc2csnc2-c2ccccc2)CC1=O 931742197 HKLPLUOVYSMMCY-LBPRGKRZSA-N 344.440 2.800 0 50 EFAA Cc1ccccc1-n1cc(C(=O)N[C@@H]2[C@@H](CN)CCC23CCC3)cn1 2325778664 IZIAQUWVFSAJHZ-CRAIPNDOSA-N 338.455 2.818 0 50 EFAA CC1(C)C[C@@H]2OCC[C@@H]2CN(C[C@]2(O)[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]52)C1 2325794800 RSNFCEMGBOPZEN-FJLCSDNNSA-N 343.511 2.632 0 50 EFAA Nc1cnc(Br)cc1C(=O)Nc1cccc(N2CCC2)c1 2325872837 OUSKUPLYJNGHOA-UHFFFAOYSA-N 347.216 2.889 0 50 EFAA C[C@@H]1CN(C(=O)CNc2cccc(-c3nccs3)c2)C[C@@H](C)O1 901487119 KLLSWVWZYVFXOA-CHWSQXEVSA-N 331.441 2.858 0 50 EFAA Cc1c(NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 195690 DWMYATNYVYYYRY-UHFFFAOYSA-N 325.343 2.876 0 50 EFAA COc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 1461165 XHCHOEQGZFTTPB-LLVKDONJSA-N 327.336 2.907 0 50 EFAA Cc1cc(C)n2nc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2n1 2356136498 XHRKYOYENGWTFM-UHFFFAOYSA-N 346.394 2.999 0 50 EFAA CCNS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 2876864 PSFRUNFBCIUDMW-UHFFFAOYSA-N 346.452 2.946 0 50 EFAA Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2[C@@H]1CC=CCC1 10385403 NDSXEAOGJROIBK-GDBMZVCRSA-N 327.432 2.674 0 50 EFAA COC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 248139706 BJIMOEOHTVLXMA-TVYUQYBPSA-N 340.217 2.620 0 50 EFAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 55558936 MWYCSAGBIXKJFE-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)CCCN)CCO2 67871451 OYSZPUAUKGQAQE-UHFFFAOYSA-N 340.423 2.828 0 50 EFAA COc1ccc(OC)c(/C=C(/NC(=O)c2ccc(F)cc2)C(=O)O)c1 22229292 QZJPNBVHMSTHBS-XNTDXEJSSA-N 345.326 2.698 0 50 EFAA CC(C)(CO)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 20255378 UTYOGXRNNKGTJJ-UHFFFAOYSA-N 333.388 2.703 0 50 EFAA Cc1ccc(F)c(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 229686682 KUTNUDDIMWYOIG-KGLIPLIRSA-N 328.453 2.533 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 252477869 WUBMVKLRDCKLDK-JHJVBQTASA-N 345.424 2.717 0 50 EFAA CC[C@@H](Sc1nc(N)n[nH]1)C(=O)N1CC=C(c2ccccc2)CC1 252510504 ZMEDSUXXSSPLOW-CQSZACIVSA-N 343.456 2.574 0 50 EFAA COCCCOC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 173250846 JFOKGBKWCHKWBL-UHFFFAOYSA-N 347.864 2.546 0 50 EFAA O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N[C@H]1C[C@H](c2ccccc2)C1 253428875 RLCWTSBRLGAGOD-YWTNHNAXSA-N 330.428 2.570 0 50 EFAA CCc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1CC 253418407 RIHNDSPINVDMMX-ZWKOTPCHSA-N 331.460 2.748 0 50 EFAA Cc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 39444986 MDBMMJCNBCWKFV-HXUWFJFHSA-N 343.446 2.598 0 50 EFAA O=[S@](CCN1CCC[C@H]1c1noc(C2CC2)n1)c1ccccc1 257366445 ZAVABMCDODAIOV-NPMXOYFQSA-N 331.441 2.892 0 50 EFAA O=C(NCC(=O)N1CCc2ccccc21)N1CC[C@@H](C2CCCC2)C1 333638925 BWYCHKPRKQXKJJ-QGZVFWFLSA-N 341.455 2.797 0 50 EFAA Cc1cc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)nc(-c2ccccc2)n1 333686230 BMZCSUZADBWZIU-OAHLLOKOSA-N 347.422 2.929 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 72478404 BZVQLXRWIVXOIV-MRXNPFEDSA-N 346.471 2.508 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@H]1c1ccnn1C 331733577 RNDITURREORYBC-CJNGLKHVSA-N 343.431 2.822 0 50 EFAA CCCCN(Cc1cccc(OC)c1)C(=O)c1cccn(C)c1=O 215437398 VSIAPAKNACJJIN-UHFFFAOYSA-N 328.412 2.836 0 50 EFAA COc1cc(N[C@H]2CCCN(Cc3cncn3C)C2)cc(OC)c1 155226437 LDVREOXUSSOYEO-AWEZNQCLSA-N 330.432 2.514 0 50 EFAA Cc1ncc2c(c1CNC(=O)Cc1ccccc1Cl)CCNC2 72458947 NYQUCNMXIFHSBH-UHFFFAOYSA-N 329.831 2.548 0 50 EFAA COc1ccc(F)cc1CN1CCC([C@@H](C)N2CCN(C)CC2)CC1 77470692 IOIUQEWHRQXILW-MRXNPFEDSA-N 349.494 2.682 0 50 EFAA CCn1ccnc1CN(Cc1csc(C)n1)[C@H]1CC12CCNCC2 262065203 AUGBKXPTVIFYGQ-INIZCTEOSA-N 345.516 2.812 0 50 EFAA CCn1nnc(C)c1/C=C/c1nc(C(=O)O)c(Br)s1 453018690 AVEFKXCINNZHMK-SNAWJCMRSA-N 343.206 2.694 0 50 EFAA CC(C)c1nc(CCNC(=O)c2cn(-c3ccccc3)nn2)cs1 72150573 UWTIBOPRYSQRLB-UHFFFAOYSA-N 341.440 2.820 0 50 EFAA CNC(=O)C1(NC(=O)c2ccc([C@H]3CCCO3)s2)CCCCC1 215026402 VDVLRDIHISZOKO-GFCCVEGCSA-N 336.457 2.778 0 50 EFAA CC[C@@H](C)N1CC(=O)N(c2ccc3oc(C(=O)OC)cc3c2)C1=O 286295709 MQAJLMKNTNSNOX-SNVBAGLBSA-N 330.340 2.787 0 50 EFAA CCN(CC)Cc1cc(C(=O)N2CCCn3cncc3C2)c(C)o1 72146818 JYBWVZWJXNSHSX-UHFFFAOYSA-N 330.432 2.672 0 50 EFAA O=C(CSc1ccccn1)N(Cc1ccncc1)C[C@H]1CCCO1 223199508 DXWLRGKWDWIWQW-MRXNPFEDSA-N 343.452 2.777 0 50 EFAA C[C@@H](C(=O)NC1CCCC1)N1CCC(c2nccn2CC2CC2)CC1 82160571 ACSQLBONRBJJME-HNNXBMFYSA-N 344.503 2.920 0 50 EFAA COc1cccc(-c2cc(CNC(=O)c3c(C)noc3C)no2)c1 220399651 BEAZBEZKMRRMDV-UHFFFAOYSA-N 327.340 2.885 0 50 EFAA C[C@@H]1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC12CCCCC2 290306879 BUEASLHRZRJXIJ-GFCCVEGCSA-N 328.416 2.684 0 50 EFAA Cc1cc(C)n(CCNC(=O)c2ccc(-c3ccco3)cc2)c(=O)n1 220470898 IFZRZQHBLFWXCS-UHFFFAOYSA-N 337.379 2.550 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(CCCOc3ccccc3)C2)n1 426442837 FHUWGTOSIISKQD-MRXNPFEDSA-N 343.427 2.616 0 50 EFAA CC1(C)CN(CCNC(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 179323018 WAOHUAZEJMDSCE-KRWDZBQOSA-N 349.450 2.613 0 50 EFAA Cc1cc(S(=O)(=O)Oc2ccccn2)ccc1Br 230517867 ZCTICNOBUVCXJP-UHFFFAOYSA-N 328.187 2.920 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(CC(C)C)no1)C2 95503287 VFHYEZBBNUNYKR-ZDUSSCGKSA-N 344.411 2.863 0 50 EFAA CN(CCN1CCCCC1=O)Cc1ccc(CN2CCCC2)s1 97619210 AAIOJQVQVHDVGL-UHFFFAOYSA-N 335.517 2.788 0 50 EFAA COCCN(Cc1cccnc1)C(=O)Nc1ccc2c(c1)COC2 92162082 KNUHUKUVAKOKIO-UHFFFAOYSA-N 327.384 2.792 0 50 EFAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(CCCC(F)(F)F)C2 95499224 XHASGLVLKUDYSY-IUODEOHRSA-N 329.318 2.892 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1 91819025 IBHMVVOZSUQRGS-QGZVFWFLSA-N 341.835 2.600 0 50 EFAA Cc1cnn([C@@H](C)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 92002609 XYCSDEVHKIFOHF-HNNXBMFYSA-N 346.862 2.750 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](C(=O)O)c1ccc(Cl)cc1 95497382 WXLUVEIDNDYERN-INIZCTEOSA-N 349.818 2.565 0 50 EFAA COCCN1CC2(CCC1=O)CCN(Cc1ccccc1C)CC2 91707444 KMSRNQRJMFXRNF-UHFFFAOYSA-N 330.472 2.846 0 50 EFAA Cc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)c(=O)[nH]c1C 96180756 SMWZUBLAIMDISO-UHFFFAOYSA-N 334.441 2.736 0 50 EFAA CN(C)C[C@H]1COCCN(Cc2cc(O)c3cccc(Cl)c3n2)C1 92036877 RFATYAVLNZDEIY-CYBMUJFWSA-N 349.862 2.604 0 50 EFAA CSCc1nc(CCN2C[C@@]3(CCOC3)CCC2=O)cs1 91724346 MWDZHTNTDPVPCN-HNNXBMFYSA-N 326.487 2.578 0 50 EFAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1C1CCN(Cc2ccccc2)CC1 245240168 OQCLBHXCBJNDDG-RNIPGJKVSA-N 338.451 2.682 0 50 EFAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]nc1C1CC1 184183302 BDQVZCGGPLTFRV-HNNXBMFYSA-N 328.416 2.837 0 50 EFAA C[C@H](C(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cn(C)c2ccccc12 185037048 QNVPGUBEHJIIOX-SCLBCKFNSA-N 339.439 2.551 0 50 EFAA COCc1ccsc1C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 360931149 MEWHPTLWTYOCCZ-LBPRGKRZSA-N 348.399 2.569 0 50 EFAA COc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)C)c1C 824828085 PXHKTPMFORFJSO-UHFFFAOYSA-N 342.395 2.723 0 50 EFAA COCc1nc(-c2ccc3[nH]c(C)c(C)c3c2)n(CC(C)(C)O)n1 670457219 PMILTFHRZPWFCQ-UHFFFAOYSA-N 328.416 2.961 0 50 EFAA C[C@@H](NC(=O)N1CCC[C@@H](Cn2ccnn2)C1)c1cccc(F)c1F 165848175 YYDBILYDPMUOHC-CHWSQXEVSA-N 349.385 2.739 0 50 EFAA CC(C)CC(=O)N1CC2(CC(NC(=O)CC(C)(C)C(F)F)C2)C1 1875358414 VKVQDQSFUKZIDH-UHFFFAOYSA-N 330.419 2.821 0 50 EFAA Cc1cccc(C2=CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)c1C 1875271876 JRHKCKCREQDRDD-INIZCTEOSA-N 345.464 2.868 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2nc(C[C@H]3CCOC3)cs2)c1 1875277401 KNZKABYVSFBVQO-GFCCVEGCSA-N 346.408 2.602 0 50 EFAA Cc1cnn(CC2CC2)c1NC(=O)N1CCCC2(CCN(C)CC2)C1 1875271370 YSQYMWZOULRWMX-UHFFFAOYSA-N 345.491 2.941 0 50 EFAA CC(C)(C(=O)NC[C@@H](O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 880832446 GXITXNRBQZCINZ-ZIAGYGMSSA-N 345.361 2.639 0 50 EFAA O=C(c1ccncc1F)N(CCOc1ccccc1)C[C@@H]1CCCO1 952965532 DHMDCNLGRNKUSY-INIZCTEOSA-N 344.386 2.921 0 50 EFAA Cc1cccc(NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)n1 888078769 YNRXXKCWOARFMB-KDOFPFPSSA-N 339.443 2.678 0 50 EFAA Cc1cc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)nc(C2CC2)n1 1775960550 RQCGKTJLWFMUIM-LSDHHAIUSA-N 331.416 2.511 0 50 EFAA CCc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)o1 1565525575 MWVZFQBUOHQRKR-HOTGVXAUSA-N 344.411 2.650 0 50 EFAA C[C@@]1(c2ccc(-c3noc(CC4CCCC4)n3)cc2)NC(=O)NC1=O 273843038 XILKKQHNGFTUPO-SFHVURJKSA-N 340.383 2.524 0 50 EFAA O=C(O)Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)cc1 169975150 FNYFWBYZZXGBDF-UHFFFAOYSA-N 345.298 2.532 0 50 EFAA O=C(O)C[C@H](NC(=O)Cc1ccn(-c2ccccc2)n1)c1ccccc1 170047846 QFOLWZFBRHPFFR-SFHVURJKSA-N 349.390 2.747 0 50 EFAA C[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ccc(F)cc1F 170597564 VIAOKNQHCYWLOI-GFCCVEGCSA-N 344.361 2.668 0 50 EFAA COCCn1nc(C)c(NC(=O)c2ccc3nc(S)oc3c2)c1C 170655178 WMBYTCQGSAOXFD-UHFFFAOYSA-N 346.412 2.829 0 50 EFAA C[C@@H]1CCCC[C@H]1N(C)C(=O)C[S@@](=O)c1ncccc1Cl 170667537 JHONLDPYQYVSHF-VOZDBPFOSA-N 328.865 2.880 0 50 EFAA Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cnnn2C)c1 170619176 GQFIUBCKAIZSNM-UHFFFAOYSA-N 342.424 2.519 0 50 EFAA Cc1cc(F)c(Br)cc1NC(=O)c1ccn(C)c(=O)c1 170608615 FFOOFPPFKCTRLX-UHFFFAOYSA-N 339.164 2.848 0 50 EFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N(Cc5ccco5)Cc5ccco5)[C@@H]4[C@H]3[C@@H]12 669695060 ZMLXSNKONMOVPB-ZNAWXKKSSA-N 349.386 2.728 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)NCc3ccc(F)c(C)c3)C2)no1 170887612 VWBVPNNBFLSZAU-HNNXBMFYSA-N 346.406 2.990 0 50 EFAA Cc1cccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c1C 172268114 CBBFGNJPYFEVEL-IACUBPJLSA-N 342.361 2.938 0 50 EFAA CCc1ccccc1S(=O)(=O)Nc1cccc(Cl)c1C(N)=O 187507882 NPHMWXKFACOGCT-UHFFFAOYSA-N 338.816 2.802 0 50 EFAA O=C(Nc1cccnn1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 187527030 CKCVWBFOTNETOE-ZDUSSCGKSA-N 336.754 2.875 0 50 EFAA Cc1cc(CNC(=O)N2CCNC(=O)[C@@H]2C)ccc1-c1ccccc1 188065456 IAJZHRJGAXZONX-HNNXBMFYSA-N 337.423 2.692 0 50 EFAA CC[C@@](C)(C(=O)OC)N(Cc1cccc(C(=O)N(C)C)c1)CC1CC1 408524902 RWDIEAYLMPHQFA-FQEVSTJZSA-N 346.471 2.942 0 50 EFAA COc1ccc([C@H](NC(=O)N[C@H]2C[C@@H](O)C2(C)C)C(F)(F)F)cc1 189404811 ZIFDRNBJXZHLSE-XQQFMLRXSA-N 346.349 2.757 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c(C)o1 225550243 DRESCQGCRMLAHT-HUUCEWRRSA-N 339.388 2.532 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2C)c1 225715168 IJHVOMAVHKBOJS-RDJZCZTQSA-N 347.436 2.500 0 50 EFAA Cc1ccc2cccc(C(=O)Nc3ccc(-n4cncn4)cn3)c2n1 682970578 RUQLIVXDMKQRMG-UHFFFAOYSA-N 330.351 2.771 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1cccc(Cl)c1 664744693 KKCLGUVNBLOZSP-GYSYKLTISA-N 344.864 2.666 0 50 EFAA CC(C)Cc1cc(CNc2cncc(C(=O)N3CCCC3)n2)on1 1506417719 KTMBAFAPLWTOGE-UHFFFAOYSA-N 329.404 2.511 0 50 EFAA Cc1ccc(OCC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529105934 KPIXZLAXJDDWIW-USTZCAOPSA-N 330.472 2.951 0 50 EFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(C(C)C)cc1)C2 219997808 PNSFTIJUDAXBQU-MOPGFXCFSA-N 330.472 2.879 0 50 EFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCO1 12458790 CYOFNCOYMSGODX-IBGZPJMESA-N 348.462 2.718 0 50 EFAA O=C(CCC(F)(F)F)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12705715 ZBEFSXFNTCISKC-LLVKDONJSA-N 348.752 2.900 0 50 EFAA CCOC(=O)c1sc(NC(=O)c2ccc(NC(C)=O)cc2)nc1C 13944053 GYNOEZOWZWRSPE-UHFFFAOYSA-N 347.396 2.839 0 50 EFAA CCOc1ccc2nc(O)c(CN3CC[C@@H]4NCCC[C@@H]4C3)cc2c1 1857666664 YIARFCCQCWMNGG-KDOFPFPSSA-N 341.455 2.913 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc3cc(Cl)ccc3n1)C2 1857669182 NDSFONBSPWPMGL-SCLBCKFNSA-N 346.814 2.811 0 50 EFAA Cc1nccc(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)n1 1857701578 WBQVNJXGMQIIBC-UHFFFAOYSA-N 333.439 2.786 0 50 EFAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)o1 237964654 UPZNUYHJXSVQMF-LBPRGKRZSA-N 332.743 2.840 0 50 EFAA O=C(COCC(F)(F)F)NCc1ccc(OCC(F)(F)F)cc1 121451818 DQGYKHFNEBQBNS-UHFFFAOYSA-N 345.239 2.823 0 50 EFAA Cc1ccn2c(CNC[C@@H]3CCN(C)[C@H]3c3cccnc3)cnc2c1 328635096 NEFIPYYKZLVTJY-PXNSSMCTSA-N 335.455 2.820 0 50 EFAA CC(C)n1ccnc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328634614 MUFZYOCFYXYINA-HKUYNNGSSA-N 327.476 2.984 0 50 EFAA O=C(O)c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)s1 238011674 NXBPVOPJNQWFMM-UHFFFAOYSA-N 345.420 2.925 0 50 EFAA C[C@@](CO)(CNC(=O)CCOc1ccccc1)Cc1ccccc1 240412843 FOEULBUBIPMJFJ-FQEVSTJZSA-N 327.424 2.813 0 50 EFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCC(C)(C)CCS(C)(=O)=O 245338868 OZOUMOMHJOHZKM-RBSFLKMASA-N 344.521 2.810 0 50 EFAA Cc1noc([C@@H]2CCN(Cc3c[nH]nc3-c3ccccc3F)C2)n1 344871824 HIYMPIHMXBQVDB-GFCCVEGCSA-N 327.363 2.897 0 50 EFAA COc1ccccc1C(C)(C)c1noc([C@@]2(C)CCNC(=O)C2)n1 904058522 HSPHZDORHSFRET-SFHVURJKSA-N 329.400 2.572 0 50 EFAA Nc1ncc2c(n1)[C@@]1(CCCN(c3ncc(Cl)cc3F)C1)CC2 1704308676 HASYMRPHKRLCQS-INIZCTEOSA-N 333.798 2.731 0 50 EFAA CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccoc2)C2CC2)cc1 907824723 YYMBYHCIQZERGO-UHFFFAOYSA-N 348.424 2.981 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 911892263 KCNVSBPOEUJMEX-AWEZNQCLSA-N 334.391 2.579 0 50 EFAA O=C(NCc1c(F)ccc2nc[nH]c12)[C@H]1CCCN1C1CCCC1 913420030 QAIOXBAOMVKYOX-MRXNPFEDSA-N 330.407 2.725 0 50 EFAA COc1cccc([C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C(=O)O)c1 851615792 QZZXIWKPPYJDOR-DIFFPNOSSA-N 341.363 2.574 0 50 EFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2coc(Br)c2)C1 381006112 JJOJXDXGNUJIQE-YUMQZZPRSA-N 341.127 2.536 0 50 EFAA C[C@@]1(CO)CN(c2ccnc3cc(Cl)c(F)cc23)C[C@]1(C)CO 2325800585 VCWIRCOVWQRKNF-CALCHBBNSA-N 338.810 2.845 0 50 EFAA Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 86607 WPNYYQMLRRDBPI-UHFFFAOYSA-N 332.425 2.806 0 50 EFAA COc1cccc2c(=O)cc(C)n(CC(=O)NCc3ccccc3)c12 547831 VNSTVOANALFRIS-UHFFFAOYSA-N 336.391 2.635 0 50 EFAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(F)(F)F)cc1 1066261 IRBJOIZVPYUWOM-GFCCVEGCSA-N 338.289 2.759 0 50 EFAA CCc1nc2ccc(Nc3nccc(N4CCC[C@@H](O)C4)n3)cc2[nH]1 2356169268 OIONNXOHROGKSV-CYBMUJFWSA-N 338.415 2.620 0 50 EFAA COc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)O)c1 4543785 NBNWQHKAGKFONE-UHFFFAOYSA-N 342.351 2.751 0 50 EFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)Cc1ccc(O)c(Cl)c1 55089892 YMZHDQDTCBXIIA-HNNXBMFYSA-N 348.830 2.783 0 50 EFAA C[C@@H](N)C1CCN(C(=O)NCc2ccccc2N2CCCCC2)CC1 417986218 HWJNCCYVIZZCRY-MRXNPFEDSA-N 344.503 2.946 0 50 EFAA O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(Cc2ccco2)C1 55060744 BERQFLRYGJENAV-INIZCTEOSA-N 328.412 2.556 0 50 EFAA CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc2c(c1)CNC2 347497635 DYWRHVKAFCRKHS-UHFFFAOYSA-N 348.406 2.601 0 50 EFAA CCCn1ccnc1CN1CCN(c2nc3c(s2)CCCC3)CC1 65395185 VDHAUMBPULRXQH-UHFFFAOYSA-N 345.516 2.951 0 50 EFAA CN(c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)S(C)(=O)=O 67630261 CAZNFHMDOAJSNY-UHFFFAOYSA-N 344.864 2.798 0 50 EFAA O=C(NCCCOCc1ccco1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 252477595 RCBZHGXNLVLTDA-BRWVUGGUSA-N 348.443 2.833 0 50 EFAA CCc1ncc(NC(=O)N2CCN(c3ccccc3F)[C@@H](C)C2)cn1 252497675 QMUXUGMSKVRZNO-ZDUSSCGKSA-N 343.406 2.921 0 50 EFAA Cc1ccc2c(c1)CN(CCC(=O)NCc1ccco1)C[C@H](C)O2 11968507 FXZHLNCBPNEWOW-HNNXBMFYSA-N 328.412 2.877 0 50 EFAA CC(=O)NC[C@@H]1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1 11998289 DCEKBRGSRWEVAY-ZDUSSCGKSA-N 332.375 2.869 0 50 EFAA CN(C)c1noc(CNC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)n1 425765673 BYFOCVMXPLTPNY-CQSZACIVSA-N 343.431 2.818 0 50 EFAA CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 359515270 NBHUTBHDDLPDCA-HNNXBMFYSA-N 343.876 2.698 0 50 EFAA Cc1cccc(C(=O)NCC2CCN(Cc3nc[nH]c3C)CC2)c1C 67756109 ZHUZTUVMPWXQIV-UHFFFAOYSA-N 340.471 2.977 0 50 EFAA C=CC(=O)NCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 121708003 MMQMNFYKLSEWIR-OAHLLOKOSA-N 328.412 2.632 0 50 EFAA N=C(O)[C@@H]1CN(C(=O)N2CCc3ccccc32)C[C@H]1C(F)(F)F 331574016 KVTKQEIQALRUSE-GHMZBOCLSA-N 327.306 2.815 0 50 EFAA C[C@@H](O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2F)CC1 332517537 KQERQIKYHRAQOV-GFCCVEGCSA-N 337.416 2.760 0 50 EFAA CC(C)CCC[C@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721572 GNIIDDDPSJTGOK-HNNXBMFYSA-N 333.476 2.843 0 50 EFAA Nc1ccc(C(=O)N2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cn1 67867659 BKNGNXMACXEBOM-KRWDZBQOSA-N 345.406 2.751 0 50 EFAA Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)co1 409413944 LSTAPYLRKGDICK-UHFFFAOYSA-N 341.367 2.965 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(C)cn2)n1C 328638504 PBUGOEKSYCMRDF-QGZVFWFLSA-N 326.444 2.815 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)o1 331721708 KUESMFZPEZTQKZ-CABCVRRESA-N 341.411 2.830 0 50 EFAA COc1ccnc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 328622520 BGTSWOVDXHELEF-LPHOPBHVSA-N 326.444 2.610 0 50 EFAA O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cnc(OCC2CC2)cn1 283811823 CYYCRLDIKHWOAB-CQSZACIVSA-N 343.358 2.658 0 50 EFAA COc1ccccc1OC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 72474011 LONBRROTAOQTCN-IBGZPJMESA-N 341.407 2.799 0 50 EFAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(C)c(C)c2)n1 72117345 PPPDUPZQSOOTAA-UHFFFAOYSA-N 327.432 2.676 0 50 EFAA Fc1cccc(-c2nnn(Cc3csc([C@@H]4CCCO4)n3)n2)c1 125069875 PCNGXVDNPZEAIP-ZDUSSCGKSA-N 331.376 2.836 0 50 EFAA CC(C)n1cc([C@]2(O)CCCN(Cc3ncc(C(C)(C)C)o3)C2)nn1 284577289 JCRMKNHZAABVIO-SFHVURJKSA-N 347.463 2.628 0 50 EFAA O=C1CCCc2nc(NC(=O)[C@@H]3CCc4ccccc4O3)sc21 333191436 VEJSLANRCFIMLZ-AWEZNQCLSA-N 328.393 2.994 0 50 EFAA COCC1(C(=O)O)CCN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)CC1 373563392 XZVASQYUNBYACL-UHFFFAOYSA-N 348.374 2.569 0 50 EFAA CN(CC(=O)NCC1(c2ccccc2)CCCCC1)C1CCNCC1 216207748 CXKDXLLSMVFFJW-UHFFFAOYSA-N 343.515 2.689 0 50 EFAA OCCOc1ccc(CN2CC(Oc3ccccc3Cl)C2)cc1 72122529 GWVBBFRELJPSDU-UHFFFAOYSA-N 333.815 2.974 0 50 EFAA O=C(c1c(Cl)nc2ccccn12)N1CCC(NCC2CC2)CC1 237801562 JJSGRQKCEKCJOE-UHFFFAOYSA-N 332.835 2.592 0 50 EFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3cccc4[nH]ccc34)C2)nn1 285610013 VHAZVUWSGUMNGC-LJQANCHMSA-N 339.443 2.824 0 50 EFAA CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1 262932045 KBEWFNADGMRHSC-CYBMUJFWSA-N 336.363 2.644 0 50 EFAA CN1CCC(N2CCN(Cc3cc(F)ccc3Cl)CC2)CC1 215942318 KDSFELICDZANKL-UHFFFAOYSA-N 325.859 2.691 0 50 EFAA CS(=O)(=O)C1(C(=O)N2CC3(CCCC3)c3cccc(F)c32)CC1 241588408 PCYQVKVKHIWYPS-UHFFFAOYSA-N 337.416 2.561 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)C(F)(F)F 241653350 PUKKGUSMCGNHQM-SMDDNHRTSA-N 349.397 2.760 0 50 EFAA O=C(c1cnc2ccccc2n1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 339439157 ZINGLEPATHKHPU-KSSFIOAISA-N 337.354 2.717 0 50 EFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC2CCCC2)C1 14955300 YTVBZQJZJATHSI-MRXNPFEDSA-N 330.476 2.859 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)N[C@H]1C[C@@H](C(=O)O)C1 263321757 NQOVLMQYUIYYAJ-PHIMTYICSA-N 333.771 2.851 0 50 EFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCC(=O)c3ccccc3)C2)n1 222678105 SPNGOGSIZXENPA-QGZVFWFLSA-N 325.412 2.936 0 50 EFAA Cc1cnc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1 177874332 NUXLRDXLHHFCIT-VIFPVBQESA-N 348.819 2.572 0 50 EFAA COCC[C@H](NC(=O)Nc1cccc2c1OCC(=O)N2)c1ccco1 290265528 VRVOHYSZVRTUGQ-NSHDSACASA-N 345.355 2.510 0 50 EFAA Cc1cccc(NC(=O)[C@@H]2C(=O)[C@@H](C)N(Cc3ccccc3)C2=O)c1 161358368 YMYSDXCGENQVBP-PBHICJAKSA-N 336.391 2.550 0 50 EFAA CCCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@H](N)C2)cc1OC 132469717 TVCCOWXLOXQQRP-IHVVCDCBSA-N 338.835 2.710 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)n1 223433773 AIDKPQDZEDTDDS-TZMCWYRMSA-N 347.440 2.628 0 50 EFAA Cc1ccc2oc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)cc2n1 225459210 LWZAJPPUKSLKOM-OAHLLOKOSA-N 336.347 2.788 0 50 EFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)NCCc1cc[nH]n1 426387850 UVIRXTNRRPRDSC-CYBMUJFWSA-N 325.416 2.632 0 50 EFAA CN1CCN(Cc2ccccc2OCCO)C[C@H]1c1ccccc1 225347936 SVDXPRZLVLFWBB-IBGZPJMESA-N 326.440 2.546 0 50 EFAA Cc1cccn2c(CC(=O)NCCCN(C)c3ccccc3)cnc12 97088119 KXNISILUHSNWFL-UHFFFAOYSA-N 336.439 2.828 0 50 EFAA CCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC)cc1Cl 96138374 FJKMCJUFYGMXHV-ZDUSSCGKSA-N 339.823 2.871 0 50 EFAA CCN(Cc1noc(C)n1)C(=O)Nc1cc(C(=O)OC)ccc1C 96154004 PYWPQEWMHCSJEL-UHFFFAOYSA-N 332.360 2.527 0 50 EFAA O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239173826 OTLAUPLOUOONEL-WDAHDJQVSA-N 336.185 2.585 0 50 EFAA CC(C)c1noc(CCNC(=O)[C@@H]2CCCN(C3CCCC3)C2)n1 95368312 YCGCRWQQMQFVQB-CQSZACIVSA-N 334.464 2.506 0 50 EFAA Cc1cc(=O)[nH]c(NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)n1 95522105 DZJILKYXUALWHU-UHFFFAOYSA-N 343.431 2.609 0 50 EFAA NCCOc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 181433996 RMONZPOKJBAYHU-ZDUSSCGKSA-N 333.413 2.584 0 50 EFAA O=C(c1ccccc1)N1CCCC[C@H]1c1nc(-c2cccnn2)no1 95507481 XAXXZXJGWPBYJP-HNNXBMFYSA-N 335.367 2.894 0 50 EFAA CC(C)NC(=O)c1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 236700306 INLLAIUKSGKNDK-QGZVFWFLSA-N 325.412 2.853 0 50 EFAA COCCc1nc(C[C@H]2CCCCN2C)n(CCc2ccccc2)n1 96148039 CDSTYABWBCNRAI-GOSISDBHSA-N 342.487 2.737 0 50 EFAA O=C(Cn1cc(-c2ccccc2)nn1)N[C@H]1C[C@H]1Cc1ccccc1 268584741 UBMCECFXZBOOBF-MSOLQXFVSA-N 332.407 2.693 0 50 EFAA Cc1cccc([C@H](C(=O)N(C)CCc2c(C)n[nH]c2C)N(C)C)c1 95358151 HRGRDAFNRIGVQN-GOSISDBHSA-N 328.460 2.639 0 50 EFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2c(C)noc2C)C1 243956754 CDLKMSXHCQDLMJ-MRXNPFEDSA-N 327.428 2.819 0 50 EFAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)C(=O)c1ccco1 244708229 KPUJKEVXYVIQSE-MRXNPFEDSA-N 326.396 2.806 0 50 EFAA O=C(CCCn1cccn1)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 253412115 PXSVQALHUACROE-RVZJWNSFSA-N 349.381 2.570 0 50 EFAA COC(=O)[C@@H](c1ccsc1)N1CCCN(CC(F)(F)F)CC1 253397254 WDTITIVOBCULRZ-GFCCVEGCSA-N 336.379 2.532 0 50 EFAA COc1cccc(C2(NC(=O)[C@@H]3CN(C)C[C@H]3C(F)(F)F)CC2)c1 299745717 SCEWMBPJGWXCAU-ZIAGYGMSSA-N 342.361 2.541 0 50 EFAA CCCn1ncc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1C 823033053 JRRIRTFJBVDKGT-UHFFFAOYSA-N 337.427 2.776 0 50 EFAA CCN1CCC[C@@H]1CN1C(=O)CC[C@H]1CCNCc1ccccc1F 823110170 BYSGGPWSKAACJH-ZWKOTPCHSA-N 347.478 2.781 0 50 EFAA C[C@H](CCNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCC1 584884277 YSMZYYQOBHBFGN-OAHLLOKOSA-N 343.475 2.589 0 50 EFAA Cc1noc([C@@H](C)n2cnc3ccc(OC(F)(F)F)cc3c2=O)n1 584885525 NZINIDYYKLLRAG-SSDOTTSWSA-N 340.261 2.596 0 50 EFAA CC(C)c1nnsc1CNC(=O)N(C)Cc1ccc2nonc2c1 584895782 SRTSEXNCXXILIL-UHFFFAOYSA-N 346.416 2.539 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)NCCc2nc3ccccc3[nH]2)CCO1 270621437 KBDZVLFDPGBQQO-CJNGLKHVSA-N 344.459 2.998 0 50 EFAA Cc1nnc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)s1 670446012 JGMYNKUKMOPPSK-SJORKVTESA-N 328.485 2.943 0 50 EFAA COC[C@@](C)(NC(=O)N1CCOC[C@H]1c1ccccc1)C(F)(F)F 874435540 XDAZXWJSHZQSAS-DZGCQCFKSA-N 346.349 2.737 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(F)(F)CC34CC4)n[nH]c21 1875396401 FYFYHFKLUCXNCI-ZJUUUORDSA-N 325.359 2.836 0 50 EFAA COc1cccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c1C 1875314702 NCZWOSALWHNTDI-YPMHNXCESA-N 343.427 2.689 0 50 EFAA Cc1nc(NC[C@H]2CC(=O)N(C3CCCC3)C2)nc2c1CCCC2 952861029 WTOFRHFOMBWZQQ-CQSZACIVSA-N 328.460 2.867 0 50 EFAA O=C1C[C@H](NC(=O)C2(N3CCCC3)CCCCC2)c2ccccc2N1 952870159 WBTQRXPGPYTTAI-KRWDZBQOSA-N 341.455 2.985 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCN(C)Cc2ccccc2)C1 888102743 JYDNZBYZUGETLX-MOPGFXCFSA-N 342.487 2.920 0 50 EFAA CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)O)C(=O)N[C@@H]1CC=CCC1 888099568 QZNKOGLVROWJAO-KGLIPLIRSA-N 340.464 2.608 0 50 EFAA CCc1nnc(O)c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1CC 889209886 UJNKKWKOHFXEPA-OAHLLOKOSA-N 339.439 2.937 0 50 EFAA COc1cc(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)ccc1Cl 1775959430 WKFRTVLXNOJBSX-CMPLNLGQSA-N 340.807 2.601 0 50 EFAA Cc1nn(CC(=O)Nc2cc(C(F)(F)F)n(C)n2)c(C)c1Cl 1775999839 XTQWZIKJVPAQLL-UHFFFAOYSA-N 335.717 2.544 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@]2(C(=O)O)C(C)C)c1 899778944 LHTVQMKITSECMC-KSSFIOAISA-N 347.415 2.538 0 50 EFAA O=C(O)c1ccc(I)cc1Br 54962363 APGWJGNOWJHSLW-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 275569350 GEIWLGNMVJOCKA-RCCFBDPRSA-N 330.476 2.734 0 50 EFAA COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 169295710 JSLDLCGKZDUQSH-GWZUGAIVSA-N 336.435 2.562 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCc2ccc(OC)cc21 277704227 QUZFYOZPHBQPLH-ZBFHGGJFSA-N 340.427 2.530 0 50 EFAA CCOC1CC(CNc2nc3cc(C)ccc3o2)(N2CCOCC2)C1 278034146 QANUQUMHMRBPGE-UHFFFAOYSA-N 345.443 2.818 0 50 EFAA O=C(NC1CC1)[C@@H](N[C@H]1COc2ccccc21)c1ccc(F)cc1 170789506 GDEMZFXTKZPTOK-WMZOPIPTSA-N 326.371 2.869 0 50 EFAA CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H](c2ccncc2)C1 408516601 ILUCKICVEYBLRX-OAHLLOKOSA-N 333.432 2.702 0 50 EFAA CC(C)n1cc2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2n1 408513385 JOOKFSYNTNCBMA-UHFFFAOYSA-N 348.362 2.753 0 50 EFAA C[C@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(C)(C)C 408520748 VIVRYBPIIDRDKE-ZIAGYGMSSA-N 342.480 2.811 0 50 EFAA COC(=O)CCN(C(=O)c1cn2ccnc2s1)c1ccccc1C 188071420 CGPQBUMRIQECNY-UHFFFAOYSA-N 343.408 2.914 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2nc(C3CCC3)no2)C1 639587031 SRGUXDUISDNOBK-AWEZNQCLSA-N 332.404 2.733 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc(O)n1 190749670 QTDOIMPXYKHGJY-MRXNPFEDSA-N 328.368 2.541 0 50 EFAA Cn1ncnc1CN(Cc1cccc(Br)c1)CC1CC1 191465486 ZZDMWGQAKMRKAM-UHFFFAOYSA-N 335.249 2.990 0 50 EFAA O=C(O)c1coc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 191634127 CRZBVHBMNNVZCA-IUODEOHRSA-N 329.352 2.876 0 50 EFAA CCCc1noc(CCCC(=O)N2C[C@@H](C(=O)O)c3ccccc32)n1 192950182 OYIIBELCWARRDL-CYBMUJFWSA-N 343.383 2.560 0 50 EFAA CS(=O)(=O)[C@@H]1CCCCN(c2ncnc3[nH]c4ccccc4c23)C1 649348642 UOCJJAJESIVCGI-GFCCVEGCSA-N 344.440 2.515 0 50 EFAA O=C(NC1CC1)[C@H](N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 656130345 UQBSLEHMAKLEML-IPMKNSEASA-N 327.472 2.613 0 50 EFAA COCc1ccc(CNC(=O)c2ccc(C(F)(F)F)c(O)n2)cc1 666252258 OIERARHWDCCVBM-UHFFFAOYSA-N 340.301 2.882 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)CCCc1ccc(Cl)cc1 1704325424 JNIDQYPLCVUOSD-UHFFFAOYSA-N 335.835 2.715 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615738896 AKPVTIGEYAFXFE-HKUYNNGSSA-N 328.460 2.511 0 50 EFAA CC(C)CSc1nnc(CNC(=O)/C=C/c2cccs2)n1C 12278928 MUBZCJVMODNGNA-VOTSOKGWSA-N 336.486 2.954 0 50 EFAA CO[C@H](c1ccccc1)c1nnc(CCC(=O)NCCC(C)C)o1 12315601 XEYBFKTXSMBFHK-QGZVFWFLSA-N 331.416 2.900 0 50 EFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1occc1C 12583360 KYLMGHHMXDIXQT-UHFFFAOYSA-N 347.503 2.856 0 50 EFAA Cc1ccc(N2C(=O)C[C@@H](NCCc3cccc(F)c3)C2=O)cc1 19792706 BDTPMGCPGHAZIU-QGZVFWFLSA-N 326.371 2.598 0 50 EFAA O=C(CCOc1ccccc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857680000 DMWVPQSUNMYLOZ-UHFFFAOYSA-N 325.412 2.683 0 50 EFAA Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)nc2ccccn12 1857712361 WFQALGYRXRHERI-AWEZNQCLSA-N 337.379 2.555 0 50 EFAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccc(Br)cc1 414012844 HPWSUKVXMLBBLL-ZDUSSCGKSA-N 339.233 2.578 0 50 EFAA O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CCN(c2ccncc2)CC1 225385261 FVBXRCHFISBCFE-IRXDYDNUSA-N 343.377 2.812 0 50 EFAA CN1CC[C@H](CNc2nccc3cc(Br)ccc23)CC1=O 425270163 VKZSDIWMMYOFDZ-NSHDSACASA-N 348.244 3.278 0 50 EFAA CCCC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 456494094 UTWNIAPTFMGNMA-LBPRGKRZSA-N 344.249 2.525 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCC[C@H](C[C@@H]2CCOC2)C1 369839300 DLYIISRIMXDISN-CVEARBPZSA-N 327.428 2.702 0 50 EFAA O=C(O)C[C@H]1CN(C(=O)[C@H]2OCCc3ccccc32)c2ccccc21 393097788 DVWYNRSQCUHJTM-LIRRHRJNSA-N 337.375 2.906 0 50 EFAA COc1cncc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)c1 903646019 YKNFSBMTGHWMPC-UHFFFAOYSA-N 340.376 2.817 0 50 EFAA CCCNC(=O)OC[C@@H]1CCCCN1Cc1cnn2ccccc12 809726192 KYPPICGMDBDPCM-INIZCTEOSA-N 330.432 2.825 0 50 EFAA CCc1ccc(CNC(=O)COC(=O)c2cc(C=O)ccc2C)s1 909932992 ZMUVCHPGBFUXFZ-UHFFFAOYSA-N 345.420 2.905 0 50 EFAA O=C(NOCc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2)C1=O 816099229 NFRQHRCUHTVYIH-KRWDZBQOSA-N 342.370 2.817 0 50 EFAA Fc1cccc(F)c1-c1ccc(NCC2(N3CCOCC3)CC2)nn1 826623157 JOVSJYMVUKTUBL-UHFFFAOYSA-N 346.381 2.699 0 50 EFAA CCOc1cccc(CCC(=O)NC[C@@H]2CCC3(CCOCC3)O2)c1 832429143 RCFVISWIVVPOFV-SFHVURJKSA-N 347.455 2.862 0 50 EFAA CC(C)(C)c1cc2n(n1)CCN(Cc1nncn1-c1ccccc1)C2 932613591 OETPFNWBWDTRDH-UHFFFAOYSA-N 336.443 2.777 0 50 EFAA Cc1ccc(-c2c[n+]([O-])c(N)c(C(=O)OCc3ccccc3)n2)cc1 331520 UISYSBPUVCFSHN-UHFFFAOYSA-N 335.363 2.630 0 50 EFAA Cc1nc([C@H](C)NC(=O)c2cc3ccc(F)cc3nc2O)[nH]c1C 2325857268 VRTJRUQUBLHQEB-JTQLQIEISA-N 328.347 2.910 0 50 EFAA CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 116063 HPGYZSSWFQWLGB-NVXWUHKLSA-N 344.411 2.599 0 50 EFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(F)c(F)c2)C1 176251 JALAFJZIDKJNRI-LBPRGKRZSA-N 340.370 2.569 0 50 EFAA COCCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 2140768 LECSFNMGOOWCIW-UHFFFAOYSA-N 332.787 2.969 0 50 EFAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356137038 PBQWASMJPNGHJM-GFCCVEGCSA-N 348.410 2.649 0 50 EFAA CCn1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)n1 6699124 BNPGEUNPFTVZAK-UHFFFAOYSA-N 329.385 2.682 0 50 EFAA CCc1ccc2nc(N3CCCN(C(=O)COC)CC3)cc(C)c2c1 55309653 ADCFBDDWRPDAAA-UHFFFAOYSA-N 341.455 2.791 0 50 EFAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)CCCn1nc(C)cc1C 55099166 LKYGASRPIYIGBE-GOSISDBHSA-N 345.443 2.965 0 50 EFAA COC[C@H](N)C(=O)Nc1ccccc1OCCCc1ccccc1 55099402 VTYOYQGRVRLXRQ-INIZCTEOSA-N 328.412 2.610 0 50 EFAA Cn1c(CN2CCc3[nH]nc(C4CCCC4)c3C2)nc2cccnc21 23231271 BEJOIAHUHJSPGX-UHFFFAOYSA-N 336.443 2.907 0 50 EFAA COc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 101702246 CJFDXPGKFHZRJB-CLROSIBMSA-N 330.428 2.741 0 50 EFAA CC(C)=CCN1CCN(c2cc(C(C)C)nc(C)n2)C[C@@H]1CCO 106995266 VAQYRUDGUQPPFG-KRWDZBQOSA-N 332.492 2.748 0 50 EFAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@@H]3c1ccc2c(c1)OCCO2 65530224 KZYVXSAJXPYTQS-CQSZACIVSA-N 349.390 2.566 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1c(C)cc(=O)oc1C)C2 67654776 RAQVRTVUOUZPGO-UHFFFAOYSA-N 343.379 2.690 0 50 EFAA CCCn1cnnc1CNc1ncc2c(n1)CCN2c1ccccc1 65408129 YYLGFSHXGMDDJS-UHFFFAOYSA-N 335.415 2.784 0 50 EFAA O=C(Nc1ccc(-n2cnnn2)cc1)N1CC[C@H]1Cc1ccccc1 443819079 UYBXBRPFTSAHLC-KRWDZBQOSA-N 334.383 2.511 0 50 EFAA CN(Cc1cccc2nccn12)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328647295 TXJDSNZDAMMWBU-PXNSSMCTSA-N 335.455 2.854 0 50 EFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 151912221 LFWADDZEJPIHPV-KGLIPLIRSA-N 329.318 2.725 0 50 EFAA CC1(C)CN(C(=O)c2cc(O)nc(C3CC3)c2)C[C@@H](C(F)(F)F)O1 329265989 HFUZZAVUQPWNAG-LBPRGKRZSA-N 344.333 2.847 0 50 EFAA OC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCOCC1 125498397 XONUSCACGVESIF-UHFFFAOYSA-N 343.427 2.721 0 50 EFAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@H]1O)C1(c2ccccc2)CCCC1 253394703 AOCZNTIYZQHSST-GUDVDZBRSA-N 343.467 2.887 0 50 EFAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NCc1ccco1 2809209 FGSUTEUCDFODIH-UHFFFAOYSA-N 343.404 2.913 0 50 EFAA Cc1nc2c(C(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3)cccc2o1 253421134 QTYRRXGJVWCGSA-SJORKVTESA-N 335.407 2.964 0 50 EFAA COC[C@@H]1CN(C(=O)c2ccc3nc(C)ccc3c2)CC(C)(C)O1 284471454 AIZOSCUFEOJMSE-INIZCTEOSA-N 328.412 2.809 0 50 EFAA CN1CCC(c2nccn2CCc2nc(-c3ccccc3)no2)CC1 71746103 ADZYTIAYHSRDCR-UHFFFAOYSA-N 337.427 2.985 0 50 EFAA C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Cn1ccnc1 153732340 PPDYQZWQCDYHRO-LBPRGKRZSA-N 343.818 2.993 0 50 EFAA CC(C)CN1CCN(Cc2cnc3cc(O)ccc3c2)[C@H](C)C1=O 77487537 QLTIKSXQBPYSGH-CQSZACIVSA-N 327.428 2.629 0 50 EFAA Cc1ncc(Br)cc1NC(=O)N1CCCO[C@@H](C)C1 332268546 DFXJDNJXBHYPHY-VIFPVBQESA-N 328.210 2.795 0 50 EFAA CSCC[C@H](N)C(=O)N(C)Cc1csc(-c2cccs2)n1 77406343 CAISVUYMGYVVTA-NSHDSACASA-N 341.527 2.910 0 50 EFAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)CCC1CCOCC1 154604210 XBZJLNBXPATBJT-UHFFFAOYSA-N 346.456 2.797 0 50 EFAA N[C@H]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCCO3)C2CCCC2)C1 155677865 CIRUEYLAQKZMKT-HOTGVXAUSA-N 344.455 2.856 0 50 EFAA Cc1nc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c(C)o1 495868472 KLYWJTLLGPBLDT-SNVBAGLBSA-N 347.362 2.570 0 50 EFAA O=C(N[C@H]1CCCN([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1 367560226 UYOVWSMSQSYTBK-GJZGRUSLSA-N 342.361 2.689 0 50 EFAA COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl 38476960 FLSMVCMSUNISFK-UHFFFAOYSA-N 334.184 2.593 0 50 EFAA investigational COc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)ccc1F 129701862 NQNHCIMHFVSGDN-UHFFFAOYSA-N 346.358 2.554 0 50 EFAA CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc2cccnc2[nH]1 496036022 LRSZLRFXIOTSKI-AWEZNQCLSA-N 344.415 2.646 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c23)Cc2ccccc21 375039767 NMPXCJQNJHZCMD-CQSZACIVSA-N 339.326 2.526 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COc2cccc(F)c2)c1 337524545 XEUNNJRVJIYOMK-CRAIPNDOSA-N 345.370 2.548 0 50 EFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CC)C1 131361985 LTNOTCDKBKGDQN-DOTOQJQBSA-N 344.455 2.948 0 50 EFAA COc1cnc2ccccc2c1C(=O)NCC[S@@](=O)C(C)(C)C 242263381 XYNXHXOUABCWPY-HSZRJFAPSA-N 334.441 2.520 0 50 EFAA NC(=O)c1cccc(CCNC(=O)c2cccc(C(F)(F)F)c2)c1 338685345 HJXXEZSNXMFWKD-UHFFFAOYSA-N 336.313 2.777 0 50 EFAA OC[C@H]1CCCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)C1 72418789 JDCSFVSFGFWFMY-ZDUSSCGKSA-N 326.375 2.744 0 50 EFAA Cc1nc(NC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)nn1C 48135097 PSTLIVHEIHRQSS-AWEZNQCLSA-N 331.395 2.749 0 50 EFAA CNCC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 225488137 GHNPTJGEEYQVHC-CYBMUJFWSA-N 331.441 2.532 0 50 EFAA C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)NCC(=O)O 225569086 ICISWZCYFQBNEI-CQSZACIVSA-N 326.396 2.547 0 50 EFAA CCn1ccnc1CN(C)C(=O)c1cccc(-c2ccc(C)nn2)c1 426506012 ZMTCEWKUMBTRJF-UHFFFAOYSA-N 335.411 2.941 0 50 EFAA CN1CCN(Cc2ccc(-c3cccc4c3OC(F)(F)O4)nc2)CC1 426726690 CDDCLDGAQSJFHU-UHFFFAOYSA-N 347.365 2.818 0 50 EFAA COc1ccc2[nH]c(CN3CCN(C(C)C)[C@@H](CCO)C3)c(C)c2c1 20455946 QRYAYZSWMIMOPL-INIZCTEOSA-N 345.487 2.762 0 50 EFAA O=C(CCc1cccnc1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 220187484 OLBPBPQYUWVMPH-MSOLQXFVSA-N 344.386 2.506 0 50 EFAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1(N2CCCCC2)CCCCC1 426668281 IEGBSHFMLAECSK-OALUTQOASA-N 342.483 2.950 0 50 EFAA O=C(NCc1cc(F)ccc1F)[C@@H](c1cccnc1)N1CCCC1 97776001 BAHVKNMQUZLBGV-QGZVFWFLSA-N 331.366 2.813 0 50 EFAA COc1ccc(C)cc1NC(=O)N1CCC2(CCC(=O)N(C)C2)CC1 92078350 ZRJJXUPXLCWHAX-UHFFFAOYSA-N 345.443 2.870 0 50 EFAA CNc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)ccn1 96130792 JWMDWEDXVFQUEZ-GOSISDBHSA-N 338.455 2.733 0 50 EFAA O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(-c2cccnc2)nc1 95382634 KMBBNGRRBBJFOG-QGZVFWFLSA-N 346.390 2.662 0 50 EFAA COc1nccnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 296726913 JJBMLOQMBJSXNP-JTQLQIEISA-N 341.337 2.607 0 50 EFAA Cc1ccc(-c2cc(C(=O)N(Cc3nccn3C)C3CC3)n[nH]2)s1 91745343 CFQOKOGGBLJAKC-UHFFFAOYSA-N 341.440 2.985 0 50 EFAA COCC[C@]1(CO)CCCN(C(=O)Cc2c(F)cccc2Cl)C1 91965682 ILOJXTLVCRUBRQ-QGZVFWFLSA-N 343.826 2.659 0 50 EFAA O=C(Nc1cc(N2CCOCC2)ccc1Cl)N1CCSCC1 95521050 BYEIVTKIGZGUMU-UHFFFAOYSA-N 341.864 2.757 0 50 EFAA Cc1nc([C@@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1 95519391 WZHVKTBCJGDSJU-GOSISDBHSA-N 341.459 2.908 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(CO)o2)C1 95352753 YOSYKHNUUZBGFX-AWEZNQCLSA-N 331.416 2.788 0 50 EFAA CC(C)n1ncnc1CNC(=O)Cc1csc(-c2ccccc2)n1 298997970 QCTMBFWLLRNBHS-UHFFFAOYSA-N 341.440 2.841 0 50 EFAA C/C=C/C[C@@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 184016485 WQDUSECIVDILJJ-HRLNJXSSSA-N 334.416 2.857 0 50 EFAA CC[C@@H](NC(=O)NC1(CO)CCCC1)c1ccc(OC)c(OC)c1 357538322 ORSXCCVHXGKQFO-CQSZACIVSA-N 336.432 2.759 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)s1 299786021 PHQGMEGMAMYJJX-MRXNPFEDSA-N 345.468 2.995 0 50 EFAA C[C@H](CCNC(=O)Nc1ccccc1C1CC1)N1CCN(C)CC1 299801330 ZWOPEPMAAOBEFQ-OAHLLOKOSA-N 330.476 2.712 0 50 EFAA Cc1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc(C)n1 299766306 CCAVBMNUUQYILY-UHFFFAOYSA-N 330.819 2.709 0 50 EFAA O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccc[nH]2)cc1 828052104 CMTMZSFWXMRHPL-UHFFFAOYSA-N 326.400 2.691 0 50 EFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCOc1ccc(Cl)cc1)C2 584888531 NHGWOXUJOZKFCP-VIKVFOODSA-N 338.835 2.785 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc2c1CCC2=O 670435234 WPBJFCOBGHBHJA-KRWDZBQOSA-N 325.412 2.857 0 50 EFAA Cc1nnc(SCCCNC(=O)c2snnc2C(C)C)s1 670450661 CQANQIFNGHJJDN-UHFFFAOYSA-N 343.503 2.734 0 50 EFAA Cc1ccnc(N2CCC[C@H](CCNC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)C2)n1 1875345620 DHDYFZMPZFYOPY-XDNAFOTISA-N 342.487 2.944 0 50 EFAA N[C@@H]1C[C@H]2C[C@H]1C[C@H]2N=c1[nH]cnc2c(-c3ccccc3)nsc12 1875341629 AFGHACDVYZDMQY-REWJHTLYSA-N 337.452 2.713 0 50 EFAA O=C(O)c1coc2cc(C(=O)N3CCCC[C@H]3[C@@H]3CCCO3)[nH]c12 1875405813 OUORWCIGVQVFDA-STQMWFEESA-N 332.356 2.633 0 50 EFAA Cn1ccc(-c2nc(CNc3ncnc4c3CCCC4)cs2)n1 952992698 BRHXBXZYPVQSPM-UHFFFAOYSA-N 326.429 2.825 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1875273976 QZNLIGODBDGZHO-AALXLURJSA-N 327.371 2.962 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)nc(O)n1 952967141 GUTXWSOYQWPWOR-KRWDZBQOSA-N 343.427 2.576 0 50 EFAA Cc1cccc2nc(C(=O)Nc3ccc4nc([C@@H](C)O)[nH]c4c3)cn12 952982251 KDBZJLCEEVJKMV-LLVKDONJSA-N 335.367 2.825 0 50 EFAA CC(C)CNC(=O)c1cccc(NC(=O)C[C@H](C)n2cccn2)c1 952971478 SINVXVJXKQNIKW-AWEZNQCLSA-N 328.416 2.859 0 50 EFAA CN1C(=O)C[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1ccncc1 886031238 SLUDEUQAWZYQOZ-SJCJKPOMSA-N 340.358 2.993 0 50 EFAA Cn1cnc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 894574979 DSJGSLRZJCLGHC-UONOGXRCSA-N 349.232 2.538 0 50 EFAA CN(C[C@@H]1CCCN1C)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 1362573988 LLUDTNPXCMXDDF-UGSOOPFHSA-N 349.862 2.776 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2ncon2)C1 1363567777 WLKWMUUVVHTXBR-GJZGRUSLSA-N 329.400 2.942 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)NCCc1nc2c(s1)COCC2 1472132457 CPOPRSAGMUGGIW-UHFFFAOYSA-N 341.436 2.978 0 50 EFAA COc1ccsc1C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 275714617 SQWNPAUSUBSAMG-GFCCVEGCSA-N 347.440 2.511 0 50 EFAA O=C(c1cc(C2CC2)[nH]c(=O)c1)N1CCO[C@H](c2cccs2)C1 186108171 XPOGAZJKYQXCKN-AWEZNQCLSA-N 330.409 2.528 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N3CCO[C@]4(CCOC4)C3)s2)o1 186101660 XTLCEFCWVSLRDU-QGZVFWFLSA-N 333.409 2.948 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cc(F)ccc1F 170647995 PXAIUSHCWOQGOA-SECBINFHSA-N 338.335 2.501 0 50 EFAA O=C(c1cccc(C(F)F)c1)N1CCN(CC2CCOCC2)CC1 172459344 YEWQDJLRVAMMJZ-UHFFFAOYSA-N 338.398 2.809 0 50 EFAA C[C@@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)c1cccc(O)c1 188877008 HMCQMLXYJZPCTJ-WBMJQRKESA-N 346.456 2.686 0 50 EFAA C[C@@H](Sc1ncnc2[nH]cnc12)c1nnnn1C1CCCCC1 189029463 NALRTGQXSSWXOQ-SECBINFHSA-N 330.421 2.698 0 50 EFAA Cc1c(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cnn1CC(C)C 408515260 VGJUWDDPQNFKOD-UHFFFAOYSA-N 338.411 2.619 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 190525244 NJUZWMYFUJBQOR-STQMWFEESA-N 339.382 2.590 0 50 EFAA Cc1cccc(NC(=O)CN2CCSC[C@H]2c2cnn(C)c2)c1C 191211496 LBVQSLCGGUWUHT-KRWDZBQOSA-N 344.484 2.766 0 50 EFAA O=C(NCC[C@H]1CCc2ccccc2N1)c1ncoc1-c1ccon1 662585349 WEENCLBQINXNDJ-CYBMUJFWSA-N 338.367 2.876 0 50 EFAA O=C(c1nc2ncccn2n1)N1CCCC[C@H]1CCc1cccs1 1506400752 GQOMPFKUMUJBTM-ZDUSSCGKSA-N 341.440 2.813 0 50 EFAA CC(C)c1ccccc1OCC(=O)N1CCN(c2ccccn2)CC1 12383131 QAHDYCNCOGTCSQ-UHFFFAOYSA-N 339.439 2.933 0 50 EFAA COCCCNc1ncnc2sc(C(=O)NCC(C)C)c(C)c12 12454192 KTDFSFUVFJPPHE-UHFFFAOYSA-N 336.461 2.834 0 50 EFAA O=C(NCCc1ccccc1F)[C@@H]1CCC(=O)N(C2CCCC2)C1 12714926 OHDWMVGOFKHCDB-OAHLLOKOSA-N 332.419 2.666 0 50 EFAA CC[C@H](C)[C@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O 12899551 RACJZOSPZFRWNM-ZBEGNZNMSA-N 329.400 2.735 0 50 EFAA biogenic CCN1CCN(c2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)CC1 13945713 QFNQIUHDSGFVFO-UHFFFAOYSA-N 344.484 2.513 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)Nc2cccnc2Cl)c1 16129343 AFOUOGVMOAITOB-UHFFFAOYSA-N 328.777 2.553 0 50 EFAA CCCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H]1CCCO1 16649880 OLWHBQCEWAOYIP-AWEZNQCLSA-N 327.446 2.550 0 50 EFAA CCc1ccc(CNC(=O)Nc2nc(Cc3ccccc3)n[nH]2)nc1 19782320 HZFKSWOKIXNEJK-UHFFFAOYSA-N 336.399 2.675 0 50 EFAA O=c1c(OCCN2CCOCC2)c(-c2ccco2)oc2ccccc12 19820850 GRFWDDWRSKSSAJ-UHFFFAOYSA-N 341.363 2.764 0 50 EFAA COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)cc1C 19909359 XKVBBYFNPLKQKS-UHFFFAOYSA-N 344.436 2.763 0 50 EFAA CN1CC[C@H](n2ccnc2-c2ccc(OC(F)(F)F)cc2)C1=O 1857668536 UFISIDGVVUWKBH-LBPRGKRZSA-N 325.290 2.852 0 50 EFAA CN(CCn1cnc2ccccc21)[C@H]1CCC(=O)N(CC2CC2)CC1 1857666823 ODEHAEFUTLEQIK-KRWDZBQOSA-N 340.471 2.759 0 50 EFAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857739122 JVDYWYSQGVMPMX-JRBPQWBISA-N 332.488 2.572 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1OC 225680309 KMKVTWVRLSWTCH-HOCLYGCPSA-N 345.370 2.791 0 50 EFAA Cc1nc(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)sc1C 126650011 PKZYPDMTHNHNFJ-UHFFFAOYSA-N 338.864 2.714 0 50 EFAA CO[C@H]1C[C@@H](N(C)C(=O)c2cnn(C3CCOCC3)c2C)C12CCC2 333682463 AVEFXGJUMYINED-SJORKVTESA-N 347.459 2.573 0 50 EFAA COc1ccc(Cl)cc1CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 337255909 NCNHNBCTONGTOV-ARFHVFGLSA-N 325.836 2.710 0 50 EFAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(OC2CCC2)cc1Cl 337739960 RDQDIIYTTPQNNX-MEBBXXQBSA-N 336.819 2.668 0 50 EFAA CCC1(CC)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](C)[C@H]1OC 245631603 VGMLNZNODQVKJE-HFBAOOFYSA-N 346.427 2.701 0 50 EFAA CO[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)C[C@H]1c1cnn[nH]1 668577169 XCXDRUPUUIIBRZ-SMDDNHRTSA-N 344.312 2.577 0 50 EFAA Fc1cccc2c(Nc3ccc(N4CCOCC4)nc3)ncnc12 252495697 OWNLLNVTZNZLHI-UHFFFAOYSA-N 325.347 2.744 0 50 EFAA COc1ccc(-c2ccc(CNC(=O)C3(C(=O)O)CC3)s2)cc1 154958427 XLTOEONLOIOJLL-UHFFFAOYSA-N 331.393 2.905 0 50 EFAA COc1cc(CN[C@H]2CCC(=O)NC23CCC3)cc(Cl)c1OC 374738635 WVAWFUKCNZOBMT-AWEZNQCLSA-N 338.835 2.648 0 50 EFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)s2)o1 264090508 DROUQCHPWQKDRI-CYBMUJFWSA-N 347.440 2.617 0 50 EFAA O=C(Nc1ccccc1-c1nn[nH]n1)[C@@H]1C[C@]12CCc1ccccc12 913357503 MCZFADDMJADMRS-KXBFYZLASA-N 331.379 2.709 0 50 EFAA Cc1nc([C@H]2OCC[C@H]2CNC/C=C/c2ccc(F)cc2F)n[nH]1 826573119 JNSPBMWFFRPGAX-WXWIHLEPSA-N 334.370 2.772 0 50 EFAA O=C(c1nnc2ccccc2n1)N1CCO[C@H](c2ccccc2)CC1 1121209487 JYBVMCPEZAMJDK-KRWDZBQOSA-N 334.379 2.629 0 50 EFAA CCN(CCCn1cc(C)n(-c2cc(C)on2)c1=O)CC(F)(F)F 2325772429 RMQYSAKLLGHMSB-UHFFFAOYSA-N 346.353 2.518 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)C(C)(C)Cc3cnn[nH]3)cc2)c1C 2325780034 BQRANFQMOQRPFZ-UHFFFAOYSA-N 338.415 2.815 0 50 EFAA CN(Cc1cnn(-c2ccccc2)n1)c1ccnc2c1CCC[C@@H]2O 2325826711 JZUDOGSDYCHPQI-SFHVURJKSA-N 335.411 2.668 0 50 EFAA COc1nc2c(cc1C(=O)N1CCC3(C=C(C)CCO3)CC1)CCC2 2356153423 GFUNLKOIYOODLN-UHFFFAOYSA-N 342.439 2.920 0 50 EFAA CO[C@H]1CC[C@H](NC(=O)CCc2nc(-c3ccccc3F)no2)CC1 2356159355 XAWCTIUCJOTYCI-JOCQHMNTSA-N 347.390 2.882 0 50 EFAA O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356163458 DULPCJCLVGQRHQ-HPEDKQMDSA-N 343.345 2.501 0 50 EFAA CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 6743519 NGMIOGMALPOOBH-UHFFFAOYSA-N 348.424 2.588 0 50 EFAA CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6754661 XVZZHLNEPRFXLJ-UHFFFAOYSA-N 339.461 2.866 0 50 EFAA CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 7602811 KSUZERKANNRDIO-UHFFFAOYSA-N 333.409 2.837 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 7608584 RTQDFDIZOAIHFQ-CYBMUJFWSA-N 333.391 2.834 0 50 EFAA biogenic CS[C@@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 172759760 VMRMMKYAVQNYRD-NVXWUHKLSA-N 344.484 2.609 0 50 EFAA CCOc1ccc(CCCC(=O)NC[C@H](C)n2cncn2)cc1C 55108063 YZGBIDFTFUZKMV-HNNXBMFYSA-N 330.432 2.685 0 50 EFAA C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCN(CCO)CC1 347631657 FTAAIKYDLCSZEX-SDNWHVSQSA-N 328.378 2.719 0 50 EFAA COCCN1CC[C@@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 65462059 ZJPQHGAGQIXGOR-GOSISDBHSA-N 340.467 2.542 0 50 EFAA CCCCc1nc(C)cc(NCCNc2ncnc3oc(C)nc23)n1 55042111 TUGRSTZDGNUUKS-UHFFFAOYSA-N 341.419 2.891 0 50 EFAA CN1CCN(CCOCCOc2ccc(Cl)c(Cl)c2)CC1 20118049 CVUZJTJTNLBFLK-UHFFFAOYSA-N 333.259 2.636 0 50 EFAA Cc1ccc(C(=O)N(C)c2ccccc2)cc1N(C)S(C)(=O)=O 65363532 GCLWOTMXWCKVFB-UHFFFAOYSA-N 332.425 2.667 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 424743758 WXAJKDNGPWBDMO-STQMWFEESA-N 347.381 2.849 0 50 EFAA C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@@H](c2ccnn2CCO)C1 229752610 CNVUBZVGIGHPGJ-LMMKCTJWSA-N 335.492 2.650 0 50 EFAA C[C@H](c1ccccc1Br)N(C)C(=O)c1cc[nH]c(=O)c1 120983109 BPSFMWBIKZESQT-SNVBAGLBSA-N 335.201 2.971 0 50 EFAA CCOc1ccc(CN2CCC(N3CCC[C@H]3C(=O)O)CC2)cc1 324785895 JWSNKTOYCGSBGL-SFHVURJKSA-N 332.444 2.599 0 50 EFAA CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccccc1 122609967 ZMYOPOREFMFREM-QZTJIDSGSA-N 343.471 2.879 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cccn1C1CC1 328622558 ILWKOAMWPPBVDR-LPHOPBHVSA-N 338.455 2.983 0 50 EFAA Cc1csc(C2(NCCCN3CCN(C(C)C)CC3)CCC2)n1 253397505 ZNTQKWQDCMAJQD-UHFFFAOYSA-N 336.549 2.836 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N(C)C1CCN(c2ccncc2)CC1 360366954 PSDWZRJIWCUZBD-ZDUSSCGKSA-N 341.459 2.652 0 50 EFAA CCCc1cc(NCC(C)(C)N2CCN(CC)CC2)n2nccc2n1 72145134 BKPVTDXQEOGKRU-UHFFFAOYSA-N 344.507 2.510 0 50 EFAA Cn1ccnc1[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)CCO1 333843384 LTQCFTYXZJNTCP-SIRPWMCASA-N 344.459 2.542 0 50 EFAA O=C(c1ccc[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 77388401 QPLZSCRLXBYQNV-OAHLLOKOSA-N 326.396 2.708 0 50 EFAA CCCCn1c(S)nnc1-c1nn(C)c(C)c1Br 6636026 UMDPOABUXWIIDZ-UHFFFAOYSA-N 330.255 2.838 0 50 EFAA CCCCC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 72468902 SABMEZCNDGXRQW-MRXNPFEDSA-N 346.475 2.518 0 50 EFAA Cc1ccn(CC(=O)NCCc2nc(-c3ccccc3)c(C)s2)n1 449922223 AFOCPWYXWQQJPY-UHFFFAOYSA-N 340.452 2.982 0 50 EFAA CCCc1cc(NCC2CCN(C(=O)C3CC3)CC2)n2nccc2n1 72135317 MAFKCSUUQAPMQW-UHFFFAOYSA-N 341.459 2.742 0 50 EFAA C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2)CCN1Cc1ccccc1 262668723 LUYVLTXLBJDTMW-NZSAHSFTSA-N 329.488 2.640 0 50 EFAA CCc1ccccc1CCN1CC[C@](O)(c2cn(C(C)C)nn2)C1 285065724 XHNBTTWDIOXNQX-LJQANCHMSA-N 328.460 2.557 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)ccc1O 72155015 JEZPWSWESOORIP-MRXNPFEDSA-N 330.428 2.612 0 50 EFAA CCCNc1ccccc1C(=O)N1CCC(N2CCCC2=O)CC1 71551816 CKNWFOFRNVETRY-UHFFFAOYSA-N 329.444 2.736 0 50 EFAA Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)O)sc1C 133714118 HNYMAJVFWFILLG-ZDUSSCGKSA-N 337.422 2.570 0 50 EFAA C[C@H](CS(=O)(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 222121458 QCJAVXNUVWAWMU-GDBMZVCRSA-N 333.457 2.723 0 50 EFAA COc1cccc(C[C@@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 222192615 NXZKLAIQCIKOIB-INIZCTEOSA-N 338.455 2.685 0 50 EFAA Cc1c[nH]ccc1=NCCNC(=O)N1CCc2ccc(F)cc2[C@@H]1C 426701416 MCOXSRXNTKAYGB-AWEZNQCLSA-N 342.418 2.692 0 50 EFAA COc1cc2c(cc1C(=O)NCCCOc1cccnc1)CCC2 426551730 BGNKVWFLEXZAQH-UHFFFAOYSA-N 326.396 2.778 0 50 EFAA O=C1COc2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)ccc2N1 131174184 VDLNMLAYHUIRIQ-UHFFFAOYSA-N 334.335 2.660 0 50 EFAA O=S(=O)(CCN/C(O)=C1/N=NC2=C1CCC2)c1ccc(F)cc1 334159279 RGODFGPACIQREA-PFONDFGASA-N 337.376 2.820 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2cncn2Cc2ccccc2)C[C@H]1C(C)C 95496962 JSHXKLLJKMBJFY-VQTJNVASSA-N 340.471 2.524 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CC(N2CCCC[C@@H]2C)C1 91426951 VQFSWVQMLNIGAJ-HNNXBMFYSA-N 332.492 2.800 0 50 EFAA Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)cc1 293439260 OLPDOZQWIQZIOI-MRXNPFEDSA-N 333.457 2.953 0 50 EFAA O=C(c1cccs1)[C@H]1CCCN(C(=O)NCCc2ccccn2)C1 426555660 QHQDLQVMDPRZTI-AWEZNQCLSA-N 343.452 2.990 0 50 EFAA CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)s1 294136802 KSSIOPSFGRSODC-ABAIWWIYSA-N 345.468 2.791 0 50 EFAA COCCc1noc([C@@H]2CCCN(c3nccc(C(C)C)n3)C2)n1 95375125 GHBVMEBJBNWJBH-CYBMUJFWSA-N 331.420 2.556 0 50 EFAA Cc1nc2c(C(=O)O)snc2c(=O)n1Cc1ccc(Cl)cc1 96511653 PJCIUIXTEURGCZ-UHFFFAOYSA-N 335.772 2.561 0 50 EFAA O=C1C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1C1CCCC1 96164924 NOUDDZAFLGJYCD-LBPRGKRZSA-N 337.383 2.871 0 50 EFAA CCN1CCCC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 97468565 HRTHCHCNQWVUOF-ZBWUASRJSA-N 341.499 2.718 0 50 EFAA Cc1cc(C)c(NC(=O)NCCN2CCCC[C@H]2CO)c(Cl)c1 96133770 OUJDVGNJYWDMCY-AWEZNQCLSA-N 339.867 2.925 0 50 EFAA CC[C@@H](NC(=O)c1cc(-c2ccccc2F)n[nH]1)c1ccnn1C 91746116 RRGYOSJRXPZXKC-CYBMUJFWSA-N 327.363 2.830 0 50 EFAA Cc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)c(C)c1 95353835 QVISYNWOVDJZPR-SFHVURJKSA-N 344.455 2.764 0 50 EFAA C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 90728222 HGOOISFRTZCVFQ-OIISXLGYSA-N 334.460 2.955 0 50 EFAA CC(C)[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H]1N(C)C 95381951 JGFHJADLLASYRL-XJKSGUPXSA-N 342.842 2.903 0 50 EFAA CCOCc1nc(Cc2ccccc2OC)nn1C1CCN(C)CC1 96165709 VJCOXMHTLVQKQB-UHFFFAOYSA-N 344.459 2.681 0 50 EFAA CC(=O)c1ccc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 181209051 ZWXJSRSVZKDNBS-HOTGVXAUSA-N 345.487 3.000 0 50 EFAA Cc1ccc(CN(C)CC(=O)N(C)Cc2cc(C3CC3)on2)cc1 244633576 GFJUOOCOYZDKDB-UHFFFAOYSA-N 327.428 2.951 0 50 EFAA CCN(Cc1nnc(-c2ccco2)o1)C[C@@H](O)c1cccc(O)c1 244595021 DNBAQAXKCMHFIW-CQSZACIVSA-N 329.356 2.591 0 50 EFAA O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 242990348 HTPMBGGQEVUQKA-KBPBESRZSA-N 342.326 2.768 0 50 EFAA CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1nc2ccccc2n1C 252490373 KRINWVPSJZCWLB-MRXNPFEDSA-N 337.427 2.912 0 50 EFAA O=C1CN(Cc2cncn2Cc2ccccc2)CCN1C1CCCC1 252499182 RWRZXAIPCRWRBK-UHFFFAOYSA-N 338.455 2.518 0 50 EFAA COc1ccc(C(=O)NCCc2nnc(C)s2)c2ccccc12 356782483 QOSXQTKFXWLBPO-UHFFFAOYSA-N 327.409 2.981 0 50 EFAA O=C(NC[C@H](c1ccccc1)C1CCCC1)c1ccn2nnnc2c1 534636911 FLFAJCREWBQEPN-QGZVFWFLSA-N 335.411 2.828 0 50 EFAA Cc1nnc(CNC(=O)CC2CCN(Cc3ccccc3)CC2)s1 299763770 RLHOLCDEFDURIC-UHFFFAOYSA-N 344.484 2.765 0 50 EFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 822718125 JQDURAVKCISURR-MRXNPFEDSA-N 327.432 2.983 0 50 EFAA O=C1C[C@@H](C(=O)N2CCCN(c3ccccc3)CC2)C2(CCCC2)O1 828244564 PYUHENLCXAFQTR-KRWDZBQOSA-N 342.439 2.601 0 50 EFAA Cc1ccc(S[C@@H](C)C(=O)N(CCO)Cc2nccs2)cc1 828754164 HANOKSUVIHRZQB-ZDUSSCGKSA-N 336.482 2.953 0 50 EFAA C=CS(=O)(=O)CCC(=O)Nc1c(C)nn(C2CCCCC2)c1C 952882463 VUAZRXCLYIYJPO-UHFFFAOYSA-N 339.461 2.892 0 50 EFAA C[C@H](NC(=O)NCc1sncc1Br)C(F)(F)F 952992959 LQICBHIFXAEDHI-BYPYZUCNSA-N 332.145 2.656 0 50 EFAA Cc1cc(N2CCN[C@H](c3ccc(O)cc3)C2)nc(-c2cccnc2)n1 952993090 VYOCZDRLXOHPOK-SFHVURJKSA-N 347.422 2.704 0 50 EFAA O=C(O)[C@@]1(C2CCOCC2)CCN(Cc2ccc3ncccc3c2)C1 1875283301 NFTPPUJXMBWLFW-FQEVSTJZSA-N 340.423 2.938 0 50 EFAA C[C@@H]1CCCn2c(CC(=O)N3C[C@H](CCN)c4ccccc43)cnc21 1875276562 BRBCYKSRUXRMIN-CABCVRRESA-N 338.455 2.802 0 50 EFAA C[C@H](C1CCCCC1)N(C(=O)C[C@H]1C=CS(=O)(=O)C1)C1CC1 1875330084 MAUDBHLBTMGPJH-ZIAGYGMSSA-N 325.474 2.895 0 50 EFAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCN(CC(F)(F)F)CC1 952964547 MKEBIVXHVRKBTM-CYBMUJFWSA-N 344.377 2.774 0 50 EFAA COc1cccc2[nH]cc(CC(=O)N3CCOC[C@@]3(C)C3CC3)c12 890588800 PTUNQBBFMPHVMV-IBGZPJMESA-N 328.412 2.747 0 50 EFAA O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@@H]1CCN(Cc2ccccc2)C1 1774384215 OGJFLRPEMNGNBR-GFCCVEGCSA-N 338.333 2.889 0 50 EFAA CN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 1775987176 JLOFAJXIARAAHX-SZMVWBNQSA-N 349.450 2.687 0 50 EFAA CC(C)OC(=O)C[C@H]1CCCN(c2ncc(Br)cn2)C1 274215394 LZWKOKXQVAQIFX-LLVKDONJSA-N 342.237 2.797 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@@H](C)S1 170002595 PIVDFBFSDWBEKI-VXGBXAGGSA-N 335.473 2.807 0 50 EFAA CC(C)[C@@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 170046786 OTXDTAZXINVQHK-UONOGXRCSA-N 330.350 2.589 0 50 EFAA O=C(NCc1ccn2ccnc2c1)N[C@@H]1CCOC2(CCCC2)C1 170047390 GAEUJCYQDYNLGN-OAHLLOKOSA-N 328.416 2.625 0 50 EFAA Cc1c(N2CCC[C@](C)(O)CC2)nn2c(C(F)(F)F)nnc2c1C 280421184 JRYQRTSMWBSYFK-AWEZNQCLSA-N 343.353 2.501 0 50 EFAA COC(=O)c1ccccc1CCN1CCO[C@H](c2nccs2)C1 187014945 GKKPCGMWGYJWCB-HNNXBMFYSA-N 332.425 2.546 0 50 EFAA Cc1nccn1Cc1cccc(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)c1 225624966 IKGHFMQIZWAHKI-QWFCFKBJSA-N 339.439 2.814 0 50 EFAA CC(C)(CNC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(F)c1 189899807 CVLXHTIGXFUMJR-GOSISDBHSA-N 348.462 2.863 0 50 EFAA CC[C@@H](C(=O)Nc1cc(-c2cc(C)ccc2F)n[nH]1)N1CCCC1=O 190098147 OIFLWJAUYCARMN-HNNXBMFYSA-N 344.390 2.864 0 50 EFAA Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c(=O)n1C 683848888 NROISDPWPJKKGK-KRWDZBQOSA-N 339.439 2.986 0 50 EFAA O=C(Cn1cnc2ccccc21)N1CCO[C@@H](c2ccc(F)cc2)C1 194091413 PFCKWNGBLDUAME-GOSISDBHSA-N 339.370 2.776 0 50 EFAA COC[C@]1(C(=O)O)CCN(Cc2ncc(-c3ccccc3)s2)C1 652485196 CAYHBEPIJKCTKM-KRWDZBQOSA-N 332.425 2.733 0 50 EFAA CN(C)[C@H]1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704307475 GYIADEZIAPTEOZ-LBPRGKRZSA-N 335.791 2.834 0 50 EFAA CC[C@H](C(=O)N1CCCN(C(=O)NC(C)C)CC1)c1ccccc1 1775983365 KXYHFTHAODGYPB-KRWDZBQOSA-N 331.460 2.833 0 50 EFAA C[C@H](NC(=O)N1C[C@H]2CCCN2C(=O)[C@@H]1C)c1ccc(Cl)cc1 1772707297 NGGVJUZMJWCBKQ-SLEUVZQESA-N 335.835 2.806 0 50 EFAA Cc1ccc(CCC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c(C)c1 1775982534 RIEKXTMEZDYKHA-KRWDZBQOSA-N 345.439 2.576 0 50 EFAA O=C1C[C@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 5024760 VSJHOQPEROZCOF-HNNXBMFYSA-N 332.762 2.901 0 50 EFAA CSCCC(=O)N1CCC[C@@](CO)(CCOc2ccccc2)C1 11878784 WLTMMFLAWJLJQQ-GOSISDBHSA-N 337.485 2.810 0 50 EFAA C[C@H]1CN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C[C@@H](C)O1 12298817 UPNVKFWYSYTRCX-OKILXGFUSA-N 338.411 2.662 0 50 EFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](Nc2ccccc2)C1 12438950 OHCVGDQGSFNPCJ-INIZCTEOSA-N 328.416 2.663 0 50 EFAA CC[C@H](C)c1nc(C)c(CC(=O)N2CC[C@H]3CC[C@H](O)[C@H]32)c(C)n1 1857532108 ZALHCMDNURZCNR-WBBBXAHXSA-N 331.460 2.521 0 50 EFAA COc1ccc(N2CCN(c3ncnc4c(C)csc34)CC2)cn1 1857689921 ORFKMHXEEQOMJR-UHFFFAOYSA-N 341.440 2.730 0 50 EFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccccn3)CC2)O1 1857695553 OKDXVDRARWOYAD-GDBMZVCRSA-N 332.444 2.642 0 50 EFAA Cc1cccc(COc2cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c2)c1 110509835 WLMHUQVNIVIUQI-CQSZACIVSA-N 347.436 2.946 0 50 EFAA COc1ccc(C2(C(=O)N=c3cnn(C(C)C)[nH]3)CCCC2)cc1 1875250245 IIBLRLUYFLEKCZ-UHFFFAOYSA-N 328.416 2.740 0 50 EFAA CCOC(=O)[C@H](C)N(C)C(=O)Cc1cccc(OCC(F)(F)F)c1 408513582 FAFZVZBVUNVBNQ-NSHDSACASA-N 347.333 2.580 0 50 EFAA C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2555075 FVKJXAYBJIAXAU-PBHICJAKSA-N 343.379 2.971 0 50 EFAA in-vitro Cc1nc(O)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 155997870 MSBPMPZGZOJCKY-UHFFFAOYSA-N 339.395 2.587 0 50 EFAA CN(CCc1ccncc1)C(=O)c1cccc(Nc2cnccn2)c1 157430622 XTSUORYHHWEHON-UHFFFAOYSA-N 333.395 2.930 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1-n1cccn1 263326090 OTSDRJDARJPUKV-MJBXVCDLSA-N 327.384 2.550 0 50 EFAA O=C(O)[C@H]1CC12CCN(C(=O)CCc1ccc3[nH]ccc3c1)CC2 263301493 ZMHOYHSFVXKPSP-OAHLLOKOSA-N 326.396 2.814 0 50 EFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cc(C(F)F)on1 931138249 KUPBTYIUKROUFS-SNVBAGLBSA-N 341.318 2.519 0 50 EFAA Cc1cc(C)cc(OC[C@H](O)CN2CCC(c3ccn(C)n3)CC2)c1 932148684 HKLLIKNUWDLFAB-GOSISDBHSA-N 343.471 2.656 0 50 EFAA Cc1cc(C2CN(C(=O)c3ccnc(N4CCCC[C@@H]4C)c3)C2)no1 2325791233 DNYMSLRNPGIOOT-ZDUSSCGKSA-N 340.427 2.996 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3csc(CN)n3)cc2)c1C 2325824606 JCSGCUWCPHFRGU-UHFFFAOYSA-N 327.413 2.657 0 50 EFAA COc1cccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)c1 328771 QMGRRMCJUDBLRD-UHFFFAOYSA-N 346.408 2.839 0 50 EFAA CCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1114820 QVJCWWMRQUUFTN-UHFFFAOYSA-N 346.427 2.841 0 50 EFAA CS(=O)(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 3269016 MIMUBIXTTCLGMI-UHFFFAOYSA-N 328.773 2.664 0 50 EFAA COc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 3855841 OCRYUQCAMVQZEY-UHFFFAOYSA-N 335.381 2.811 0 50 EFAA Cn1c(=O)n(C)c2cc(CNc3ccc(Cl)c(C(=O)O)c3)ccc21 4999805 RTDQPBLCOQDRRL-UHFFFAOYSA-N 345.786 2.841 0 50 EFAA COc1ccc(Br)cc1CNn1c(C)n[nH]c1=S 6082919 WGPFUKAJPUNMNW-UHFFFAOYSA-N 329.223 2.764 0 50 EFAA Cn1c(SCC(=O)N2CCCC2)nnc1-c1cc2ccccc2o1 8881024 WJMZURLTOCNHRN-UHFFFAOYSA-N 342.424 2.943 0 50 EFAA CCc1nn(C)c(CC)c1CNCc1cc(F)c(C(=O)O)c(F)c1 417645883 HZHSCRCAKYXPSR-UHFFFAOYSA-N 337.370 2.811 0 50 EFAA O=C(Nc1nccs1)[C@@H]1CCCN1CCOc1ccccc1F 114470953 PSFCXYVOKRUNFL-ZDUSSCGKSA-N 335.404 2.764 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccn1Cc1cccnc1 248142387 QUFMXYGUTTVWCA-ZWKOTPCHSA-N 338.455 2.630 0 50 EFAA O=C(Cn1cnc2ccccc21)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348262984 RTLHBIYFNVNJKA-QAPCUYQASA-N 339.370 2.510 0 50 EFAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCCC1)C1CCOCC1 20450987 GISSZOYIZIRXLH-GOSISDBHSA-N 334.435 2.896 0 50 EFAA Cc1csc(=O)n1CC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 151501378 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CVPXEZBTROLVNF-KVWWFHCMSA-N 333.391 2.872 0 50 EFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccccn3)CC[C@H]21 72409331 GMEWCSIIGDUDKA-FUHWJXTLSA-N 343.471 2.654 0 50 EFAA COCCc1cc(NC(=O)N[C@H]2CCCOc3ccccc32)n(C)n1 127930684 NUNNHCDTTWILEN-HNNXBMFYSA-N 344.415 2.644 0 50 EFAA CC(C)[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCCN1CC1CC1 71764530 RNXZDZXDILAJMG-GOSISDBHSA-N 341.459 2.540 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 261646764 FJQMFWSDSMPKPB-CYBMUJFWSA-N 329.400 2.599 0 50 EFAA N[C@H]1CCN(Cc2cccc(OCCCCN3CCCCC3)c2)C1 215303843 PMSOZXKLOZYSTH-IBGZPJMESA-N 331.504 2.865 0 50 EFAA COC[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2OC)CC(C)(C)O1 285534348 PMIVZFNCQVPSBC-AWEZNQCLSA-N 341.835 2.544 0 50 EFAA CN(C)c1ccccc1N(C)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 128696148 AAYUPZQEGBEEJZ-ZDUSSCGKSA-N 343.393 2.990 0 50 EFAA Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)CCO1 333843390 LTQCFTYXZJNTCP-WOYTXXSLSA-N 344.459 2.542 0 50 EFAA CC[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](CC(C)(C)C(=N)O)C1 333840346 NIIZAHITZZHIGO-MCIONIFRSA-N 325.453 2.927 0 50 EFAA c1c2c(cc3c1OCCC[C@@H]3NC[C@@H]1CN3CCC[C@@H]3CO1)CCC2 372765659 BQCLWUVGPHWLNI-GGPKGHCWSA-N 342.483 2.842 0 50 EFAA O=C(O)[C@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 71745329 ZYJAYILKPQLOMC-KRWDZBQOSA-N 333.338 2.669 0 50 EFAA Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3C(=O)O)o2)cc1 237730538 YLSLOJWEUQCUIJ-CQSZACIVSA-N 328.368 2.658 0 50 EFAA Cc1c(N2CCC3(CCO3)CC2)nn2c(C(F)(F)F)nnc2c1C 374487952 KDLQBEMAXWVQLO-UHFFFAOYSA-N 341.337 2.519 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 158932087 AOPQYOBOJIQHPG-AWEZNQCLSA-N 345.468 2.794 0 50 EFAA CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 245843657 FBNUDOCZKYVPGZ-YGZBKVGRSA-N 344.521 2.665 0 50 EFAA C[C@@]1(O)CCN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1Cc1ccccc1 72166138 NEOUCSIMFJGRTO-OXJNMPFZSA-N 339.439 2.743 0 50 EFAA CNC(=O)Cn1cc(-c2cc(NC3CCCC3)nc3[nH]ccc23)cn1 72433450 OJVATHXXYQKOHV-UHFFFAOYSA-N 338.415 2.527 0 50 EFAA CCCn1ncc(C(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)c1C 72129451 GXYWXPAACOLVOL-AWEZNQCLSA-N 341.411 2.929 0 50 EFAA CCOC(=O)c1coc(N(C)Cc2cccc(-n3cccn3)c2)n1 77406852 CQXYZGOFVSVGCY-UHFFFAOYSA-N 326.356 2.673 0 50 EFAA Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 176443436 KROARQVJPNTHMT-CYBMUJFWSA-N 333.382 2.996 0 50 EFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccccn1 71281194 FEAQHSCBNGZCNM-UHFFFAOYSA-N 340.770 2.597 0 50 EFAA O=C(NC[C@@H](O)c1ccncc1)c1csc(-c2cccs2)n1 82108490 KEDWQIFYORCXPQ-GFCCVEGCSA-N 331.422 2.730 0 50 EFAA COc1ccc(CN2CCC(CO)(CN3CCCC3)CC2)c(C)c1C 222856402 KIFQCBRROQPHNC-UHFFFAOYSA-N 346.515 2.982 0 50 EFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCCn1nc(C)cc1C 223932618 NDMOEADMISYNOW-QZTJIDSGSA-N 349.475 2.537 0 50 EFAA Cc1cn2cc(C(=O)N[C@H](C)c3nc(-c4ccncc4)no3)ccc2n1 82097113 CDYYAPQIQILORO-GFCCVEGCSA-N 348.366 2.579 0 50 EFAA CNC[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Br 161333176 YUWIXYNHWWXVJK-JTQLQIEISA-N 331.641 2.927 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CC[C@H](CN)C3)cc2)c(C)c1Cl 178529023 ZJKJKKKQSQRODB-CYBMUJFWSA-N 332.835 2.563 0 50 EFAA Cc1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc(=O)[nH]1 82107215 XJNWXJALARJDOA-UHFFFAOYSA-N 348.406 2.646 0 50 EFAA CN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@H]1CCO 220242011 RYCJIFJOPVGXJE-LJQANCHMSA-N 342.414 2.631 0 50 EFAA O=C(NCCN1CCC(O)CC1)c1ccccc1-c1ccc(F)cc1 221391378 YRZIZXACHYISPW-UHFFFAOYSA-N 342.414 2.679 0 50 EFAA Nc1[nH]nc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)c1Cl 220709805 AQKBQROEQCCYJS-GFCCVEGCSA-N 348.834 2.978 0 50 EFAA CN(C)CCn1ccc(-c2cccc(-c3cc(N(C)C)ncn3)c2)n1 20905562 HMZNIZFKQWYBLY-UHFFFAOYSA-N 336.443 2.635 0 50 EFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccncc2C)cc1 426381405 GGFYGWCUUZATBV-OALUTQOASA-N 339.439 2.506 0 50 EFAA O=C(CN1CCN2CCC[C@H]2C1)Nc1nc(-c2ccccc2)cs1 239302511 FJZPPHKXPWZWRZ-HNNXBMFYSA-N 342.468 2.529 0 50 EFAA CCc1cc(N2CC[C@@H](Cc3cccc(CO)c3)C2)nc(N(C)C)n1 91547805 CQULRSGDFPQNQK-INIZCTEOSA-N 340.471 2.666 0 50 EFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1onc2c1CCCC2 426526495 UYGSYBZQVNGHCX-UHFFFAOYSA-N 338.367 2.876 0 50 EFAA Cc1cc(C)nc(CCNC(=O)N2CC[C@@H]2c2ccc(F)cc2)n1 426612426 LGUBLCUXOQLLHL-MRXNPFEDSA-N 328.391 2.932 0 50 EFAA C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1F 267826439 ZDPZLQYULUNGEC-HKJPBSJPSA-N 332.350 2.983 0 50 EFAA Cc1nccn1CCCN1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 92028948 DVMZLQPLPFUMCS-DLBZAZTESA-N 331.391 2.521 0 50 EFAA C[C@H](CN1CCOCC1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 91551573 ANVYTEIAFDOEPQ-MRXNPFEDSA-N 348.462 2.575 0 50 EFAA CC(=O)N[C@@H]1CN(Cc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C)o1 91858211 ZZUPPTYOOUOGFF-RHSMWYFYSA-N 338.411 2.568 0 50 EFAA C[C@H](NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2)c1ccc(C(C)(C)C)cc1 239425773 VFSRNGRZFMHWKT-WVRYCFJFSA-N 343.423 2.816 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cn3cccc(C)c3n2)C1 97575092 RQOXZIZHUHMWQQ-OAHLLOKOSA-N 337.427 2.879 0 50 EFAA CCCn1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 183077226 FEHDNFLQLMMAKW-ZDUSSCGKSA-N 344.390 2.732 0 50 EFAA COc1ccc(C)cc1NC(=O)CCN1CC(N2CCCC[C@@H]2C)C1 252499255 RXXJXHAAEHBIMV-INIZCTEOSA-N 345.487 2.891 0 50 EFAA O=C(Nc1cccnc1Cl)c1ncn(-c2ccc(F)c(F)c2)n1 252505466 VRTLDIDLZPMXIU-UHFFFAOYSA-N 335.701 2.846 0 50 EFAA CC[C@H](NC(=O)c1c(-c2ccccc2)noc1C)c1ncnn1C 534648605 MCOHNIHYBRTTCY-ZDUSSCGKSA-N 325.372 2.660 0 50 EFAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(C)cc1OCCCN 299757335 LYPQSOYSTJYHSV-MRXNPFEDSA-N 334.460 2.754 0 50 EFAA Cc1ncsc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 828061685 FZKHVWVWRBBROX-NSHDSACASA-N 345.424 2.767 0 50 EFAA Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c[nH]1 271445202 RKSZQBWSJBCZDM-JSGCOSHPSA-N 339.317 2.685 0 50 EFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@]2(CO)CC(C)C)cc1 1297387628 DXWPUSCNSBSQCK-IBGZPJMESA-N 330.428 2.824 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)no1 874434961 IJGFMEMFUCFELD-JTQLQIEISA-N 342.321 2.909 0 50 EFAA C[C@H](N[C@H](C)Cc1ccccc1C(F)(F)F)[C@H]1CN(C)CCN1C 952993445 HDFOYAOUSGDJAD-JKIFEVAISA-N 343.437 2.860 0 50 EFAA Cc1nc(C(=O)N[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]32)c2ccnc-2[nH]1 1875301739 RSWWYYIVQMLSTE-BPLDGKMQSA-N 338.798 2.939 0 50 EFAA CO[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](F)[C@@H](c2ccccc2)C1 1875362479 HCUOJJVQNZMZJL-WCXIOVBPSA-N 341.448 2.711 0 50 EFAA CCC1(Cn2cc(-c3csc(-c4ccncc4)n3)nn2)COC1 887388006 QBQJDATVPNXLNJ-UHFFFAOYSA-N 327.413 2.890 0 50 EFAA CS(=O)(=O)N1CC[C@@H](NCc2ccc3oc4ccccc4c3c2)C1 895146572 FGSODWDUYSCNOB-CQSZACIVSA-N 344.436 2.710 0 50 EFAA Cc1ncc([C@@H](C)NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c(C)n1 1775959794 YGAKVTPVXYVROO-HQQWDMGQSA-N 342.447 2.660 0 50 EFAA COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959887 FBCIJSARNNQSAH-DAXOMENPSA-N 348.878 2.831 0 50 EFAA C/C(=C\c1c2c(nn1C)CCOC2)c1nc(O)c2ccsc2n1 899365373 YZQVTCMLONIJFG-VQHVLOKHSA-N 328.397 2.764 0 50 EFAA CCSc1cccc(NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)c1 280982780 SITSFSHYEZMAGQ-SFHVURJKSA-N 346.452 2.658 0 50 EFAA C[C@H](NCC(C)(C)c1cccc(F)c1)C1CCS(=O)(=O)CC1 187221976 WMLSZVFNNHBTNU-ZDUSSCGKSA-N 327.465 2.906 0 50 EFAA Cn1cc(C2=CCCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)C2)cn1 636165543 DQZPJGWQQVAENC-PZJWPPBQSA-N 333.435 2.940 0 50 EFAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 638465011 SYBHYSJICKAXIV-JKSUJKDBSA-N 346.475 2.636 0 50 EFAA Cc1ccc(NC(=O)CCOC2CCOCC2)cc1NC(=O)N(C)C 225448940 HUJFGHWNTHBSJA-UHFFFAOYSA-N 349.431 2.613 0 50 EFAA CC1=Nc2ccccc2/C1=C\NNC(=O)[C@@H]1COc2ccccc2O1 111252293 VOOAHKMPKANBRL-BLSFAOBESA-N 335.363 2.594 0 50 EFAA Cn1nccc1-c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 643650456 YGEWDQRYXIKATK-ZDUSSCGKSA-N 340.383 2.943 0 50 EFAA O=C(NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)c1ccc2ccccc2n1 644183824 CCNANQJMSZPMQH-KBXCAEBGSA-N 336.395 2.856 0 50 EFAA O=C(Nc1cnn(CC(F)F)c1)N1CCC(c2ccncc2)CC1 191903693 CTOYBIJBBGNIHV-UHFFFAOYSA-N 335.358 2.955 0 50 EFAA Cc1ccc(NC(=O)CNC(=O)CCc2c(C)n[nH]c2C)c(Cl)c1 194893110 ZLKHSVZCOKQIDB-UHFFFAOYSA-N 348.834 2.676 0 50 EFAA Cc1csc(Nc2ccc(C(=O)N[C@@H]3CCNC(=O)CC3)cc2)n1 665660370 RQYIXWSVUMXUEJ-AWEZNQCLSA-N 344.440 2.594 0 50 EFAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ncccc2C)cc1 762378852 RJZKHJDMKCJJLT-FXAWDEMLSA-N 340.423 2.911 0 50 EFAA O=C([C@H]1CCCO1)N1CCCN(CCCCOc2ccccc2)CC1 1194733689 YHUXGGPFQPHNEW-LJQANCHMSA-N 346.471 2.559 0 50 EFAA COC(=O)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 176833 HHOOHZITBHIEGJ-DHDCSXOGSA-N 325.295 2.957 0 50 EFAA COc1ccc(NC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc1 1704344947 QWBWHGFNPMBTCC-QGZVFWFLSA-N 334.416 2.623 0 50 EFAA CN(C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1 11840052 ZDZRWTNTATURDC-FQEVSTJZSA-N 348.462 2.944 0 50 EFAA Cc1ccoc1C(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12056716 VGBYFDLOFZCUQQ-INIZCTEOSA-N 340.427 2.757 0 50 EFAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2ccco2)c1 12281157 IEZCYVRAAOURJG-MRXNPFEDSA-N 328.412 2.959 0 50 EFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)n2ncnc2N1 13125295 HWBCZYZSSUTNHZ-MRXNPFEDSA-N 332.367 2.601 0 50 EFAA COc1cc(-c2nccn2CCc2nc(C)c3c(n2)CCC3)ccn1 1857685407 VOQCJMXDWZRINT-UHFFFAOYSA-N 335.411 2.784 0 50 EFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(Cc2cnsc2)C1 1857731724 YQYGPBLIXIZBBW-SFHVURJKSA-N 342.468 2.996 0 50 EFAA CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 117775592 WOYKGICCMBGUCW-MSOLQXFVSA-N 345.487 2.819 0 50 EFAA CCCc1cc(N2CCOCC2)n2nc3nc(C)cc(C)c3c2n1 5347512 KSLXCQVQZMCEPY-UHFFFAOYSA-N 325.416 2.683 0 50 EFAA CC(C)n1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 331657429 SNGSXHXCRZJCOG-WBMJQRKESA-N 335.354 2.690 0 50 EFAA O=C1NCCN(c2ccc(C(F)(F)F)nn2)[C@@H]1CC1CCCCC1 333815751 GNYJLVXZYYNNCK-GFCCVEGCSA-N 342.365 2.771 0 50 EFAA Cn1nccc1-c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1 132695153 LDSNQBUDGSQHID-UHFFFAOYSA-N 345.790 2.789 0 50 EFAA CN(C)CCN(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 156007134 XZIIWDPRQDSMFB-LBPRGKRZSA-N 339.308 2.771 0 50 EFAA Cc1c(C(=O)Nc2cccc(-c3nncn3C)c2)cnn1CC(C)C 161735361 PPJLUBYBVSAJLV-UHFFFAOYSA-N 338.415 2.895 0 50 EFAA Cc1[nH]nc(NC(=O)c2cc3ncccn3n2)c1-c1ccc(F)cc1 1652712553 JPPRFWZHQARGFZ-UHFFFAOYSA-N 336.330 2.819 0 50 EFAA Cn1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)c(-c2cccnc2)n1 901627416 JEUVTVVJBAMMKJ-GOSISDBHSA-N 348.406 2.666 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)ccc1Cl 910615331 BVTXNNLZRHLJBK-UIORMTCPSA-N 337.803 2.791 0 50 EFAA O=C1CCOc2c(NC(=O)N3CCC(O)(C4CCC4)CC3)cccc21 930762687 CIGYZPPQVUKMRC-UHFFFAOYSA-N 344.411 2.811 0 50 EFAA CC(C)[C@H](NC(=O)c1ccnn1C1CCC1)c1nnc2ccccn12 931521864 LWRHUYSIXFNIQA-INIZCTEOSA-N 338.415 2.778 0 50 EFAA COCCn1c(-c2cc(C)cs2)nnc1N1CCC(OC)CC1 858941743 KJUULFAXZWWWRA-UHFFFAOYSA-N 336.461 2.577 0 50 EFAA CNCC1CCN(C(=O)c2c(F)cccc2Br)CC1 122432393 RCPCCRBHZWGJEO-UHFFFAOYSA-N 329.213 2.660 0 50 EFAA C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CO1 851607782 SHUICVHOBMVEFD-KDOFPFPSSA-N 339.391 2.630 0 50 EFAA O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@@H](c2nc[nH]n2)C1 2325754385 NCNGLSYNHCRNGG-QGZVFWFLSA-N 348.406 2.867 0 50 EFAA CC(C)Cc1ccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)s1 904036551 QVLRBQVQLUMJSY-UHFFFAOYSA-N 343.474 2.781 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Oc2ccccc2)c1 138235 JYLOVBIKEYPSER-UHFFFAOYSA-N 329.308 2.871 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 280366 VLUGKIVWCFYLBR-UHFFFAOYSA-N 326.352 2.504 0 50 EFAA COc1cccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)c1 455190 ZFIJJDPVZOSOIG-UHFFFAOYSA-N 329.425 2.888 0 50 EFAA C[C@H]1SC(NC(=O)CSc2nc3ccccc3s2)=NC1=O 4806631 JHPLXOMLOCQYCE-SSDOTTSWSA-N 337.451 2.523 0 50 EFAA Cc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)cc1 4868374 CFBAQEYXCQJZCT-UHFFFAOYSA-N 329.381 2.524 0 50 EFAA Cc1cc(C)n(C(=O)CCSCCC(=O)n2nc(C)cc2C)n1 6271236 KNSKKHOOPBNPEF-UHFFFAOYSA-N 334.445 2.807 0 50 EFAA NC(=O)COc1ccc(N[S@](=O)C23CC4CC(CC(C4)C2)C3)cc1 6744642 RTTHJXSOWRGFMM-BKBCAAEUSA-N 348.468 2.595 0 50 EFAA CCn1ncc(Cl)c1C(=O)N(Cc1c(C)nn(C)c1C)C(C)C 55371228 ABEYSICCMSVSSK-UHFFFAOYSA-N 337.855 2.958 0 50 EFAA CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1 248024406 VTKRUFMNJNGEDM-ROUUACIJSA-N 326.444 2.613 0 50 EFAA Nc1ccnc(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)n1 135141049 LILFGYFRCAJRFH-SJORKVTESA-N 326.444 2.927 0 50 EFAA CC(=O)c1cccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 101361260 NSUFMZYJEUINGB-GJZGRUSLSA-N 332.787 2.776 0 50 EFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c(F)c1 348253113 CMFDWKWAEPYOAG-GUYCJALGSA-N 333.334 2.922 0 50 EFAA CC(C)[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67588430 GAYCKKCVMCRLHE-HNNXBMFYSA-N 336.338 2.785 0 50 EFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)C2(N)CC2)CCO3)s1 67678784 SHVZRRDCWLDMIZ-UHFFFAOYSA-N 344.436 2.641 0 50 EFAA Cn1cncc1CNC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 422210987 WACUXNPHSAZNID-GOSISDBHSA-N 330.407 2.866 0 50 EFAA CCNC(=O)c1ccc(N2CCC(c3[nH]ncc3CC)CC2)nc1 67691003 URSPXDGTAVFFDW-UHFFFAOYSA-N 327.432 2.501 0 50 EFAA Cn1cc(CCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cn1 174507355 HVZRLDNFRITIDG-IBGZPJMESA-N 340.471 2.524 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 119543140 SPAFQOQFSHNZOT-QWRGUYRKSA-N 325.792 2.557 0 50 EFAA OC1(c2ccccn2)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 20905870 JMNAVGCYSPNNQA-UHFFFAOYSA-N 334.423 2.955 0 50 EFAA COc1ccc([C@@H]2CCCN2CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 252444117 XJNMCCSPRVAPQX-KURKYZTESA-N 340.423 2.741 0 50 EFAA O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCCO1 252507581 WOVBIQUYFURWSE-OLZOCXBDSA-N 325.206 2.590 0 50 EFAA O=S(=O)(C[C@@H]1CCCCC1(F)F)N1CCC[C@H](CCO)CC1 332340374 SOCXVJVKFYSRBX-KBPBESRZSA-N 339.448 2.626 0 50 EFAA C[C@@H]1CN(c2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 328588426 GINCWVATQVJKDS-BXUZGUMPSA-N 327.222 2.618 0 50 EFAA O=C(CCc1ccccn1)N1CCCN(Cc2ccc(F)cc2)CC1 63241246 ICBZVVHDERMOMX-UHFFFAOYSA-N 341.430 2.888 0 50 EFAA COc1cc(-n2c(CCCO)nc3ccccc32)ccc1NC(C)=O 65459760 SHULNTOUOPOSLT-UHFFFAOYSA-N 339.395 2.917 0 50 EFAA COC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1 1383818 PDPZWTFPXHYLSM-UHFFFAOYSA-N 336.351 2.615 0 50 EFAA CCN(C(=O)c1cc(COc2ccccc2F)[nH]n1)C1CCOCC1 67878495 BJKOCXFJISNRKS-UHFFFAOYSA-N 347.390 2.769 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 253432828 OPEMBYAMEJWANS-MLGOLLRUSA-N 338.477 2.720 0 50 EFAA CCSc1nc2ncc3c(=O)n(-c4ccccc4C)ccc3n2n1 38783714 XGRMFNJPPMDRIY-UHFFFAOYSA-N 337.408 2.849 0 50 EFAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3COCCN3)c2)C1 253433614 ZJAGHNLXZHRAQQ-ZTFGCOKTSA-N 332.444 2.709 0 50 EFAA CC(C)CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6751943 GRJDTIXMICRPJE-UHFFFAOYSA-N 327.428 2.899 0 50 EFAA biogenic COCc1nc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)no1 72164425 FXFXOSVRYVTFLX-ZDUSSCGKSA-N 331.351 2.569 0 50 EFAA Cc1c[nH]c(CN2CCCC[C@@H]2CCn2ccnc2C)c(C)c1=O 77337412 TUKRKBYBFRUHMR-QGZVFWFLSA-N 328.460 2.941 0 50 EFAA CN(C)C(=O)c1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)nc1 361810269 CKXFBJQYYDHSRV-ZDUSSCGKSA-N 345.834 2.523 0 50 EFAA Cc1nc(-c2ccccc2NC(=O)Cc2ccc3c(c2)OCO3)no1 363960938 BUOVHUCUSIMGTF-UHFFFAOYSA-N 337.335 2.955 0 50 EFAA O=C(CCN1CCCCC1=O)N[C@H]1CCCN(C2CCCCCC2)C1 15065989 RUZULYRAZYBIAP-KRWDZBQOSA-N 349.519 2.692 0 50 EFAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)c2cccs2)CC1 72474297 OFQAXCOYRXBEQY-UHFFFAOYSA-N 346.408 2.590 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2cc(Br)cs2)C1 237527172 IJAKCFNTNDSYJZ-YWVDXFKGSA-N 344.230 2.847 0 50 EFAA O=C(c1cc(-c2ccncc2)on1)N1CC[C@@](CO)(c2ccccc2)C1 368290949 QBDKNENOTBHYQN-HXUWFJFHSA-N 349.390 2.513 0 50 EFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@](O)(CO)CC1 215523166 YWXLSDJXZJIWOS-OAQYLSRUSA-N 339.435 2.632 0 50 EFAA CCc1nn(C)c(CC)c1CN1CCC[C@H](CC(C)(C)C(N)=O)C1 449411057 FCURTMLWPMDGSZ-CQSZACIVSA-N 334.508 2.659 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(F)cc1 237967895 UVMSZXKFXDACSJ-WMZOPIPTSA-N 343.354 2.772 0 50 EFAA CC(=O)N[C@@H]1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)C1 71661711 QWHJDFWVAMZVSE-GFCCVEGCSA-N 335.354 2.639 0 50 EFAA O=C(Nc1cccc(C(=O)N[C@H]2CCCNC2)c1)c1ccc(F)cc1 262055919 XKELMUYVBKWTGE-KRWDZBQOSA-N 341.386 2.560 0 50 EFAA COc1ccncc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C 284725180 LUHFQBLNQTXUCW-GDBMZVCRSA-N 325.412 2.797 0 50 EFAA Cc1cc2nc(C)c(CCC(=O)N[C@@H]3[C@H]4CCCC[C@H]43)c(C)n2n1 241338525 MBLBEKGOGWMIRX-MNZLEMJZSA-N 326.444 2.892 0 50 EFAA Clc1ccc(N2CC[C@@H](CNC[C@H]3CNc4ccnn4C3)C2)cc1 242167649 WYHGDICOYVIPTG-GJZGRUSLSA-N 345.878 2.694 0 50 EFAA O=C(Nc1cc(F)ccc1O)[C@@H](c1ccccc1)N1CCC(O)CC1 174877360 JSJHDOJJWFQQOU-GOSISDBHSA-N 344.386 2.668 0 50 EFAA COc1ccc([C@H](C)CNCC2(S(C)(=O)=O)CCCC2)cc1 285543133 QUQQXELGFARWDN-CQSZACIVSA-N 325.474 2.746 0 50 EFAA COC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccnn1C 223845767 VSBVGFCHXRZYPE-OAHLLOKOSA-N 347.846 2.999 0 50 EFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Cc1c(F)cccc1Cl 85533965 ZNWOBRSPDXTDTQ-HNNXBMFYSA-N 340.826 2.881 0 50 EFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3s2)C1 47977958 SXIOJOCHTREDFO-NSHDSACASA-N 332.429 2.628 0 50 EFAA COc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn23)nn1 177617943 AGISKSWOCYZQBC-UHFFFAOYSA-N 335.323 2.645 0 50 EFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3s2)C1 47977960 SXIOJOCHTREDFO-LLVKDONJSA-N 332.429 2.628 0 50 EFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cn2ccsc2n1 91562812 BBZXTXSFHYFFTH-UHFFFAOYSA-N 337.408 2.571 0 50 EFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc2nccn2c1 92107415 GKMQJMJSUOTITP-AWEZNQCLSA-N 338.386 2.730 0 50 EFAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2cncn2C)cc1 426489742 ZMHJVQMIWINPMX-CYBMUJFWSA-N 338.415 2.580 0 50 EFAA O=C(COCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 180101487 IIPHULHUFPXLEF-MAUKXSAKSA-N 347.361 2.816 0 50 EFAA COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 230182248 IYLRRIUNGGQRTN-IWUPYOBGSA-N 338.451 2.930 0 50 EFAA biogenic,in-vitro O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1cccc(Cl)c1 239235307 VTELSLBKTOSKOW-YZXKGSGOSA-N 328.799 2.763 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C1CC1 92020383 ZSZUQOUTHHYBGZ-UONOGXRCSA-N 341.329 2.817 0 50 EFAA Cc1ccc(-c2ccc(CS(C)(=O)=O)cn2)c(-n2cccn2)c1 97601067 GQDFKVSCNLDHMW-UHFFFAOYSA-N 327.409 2.787 0 50 EFAA COCCN1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 97294916 RKAZSOGQCQXATG-IBGZPJMESA-N 330.472 2.540 0 50 EFAA Cn1nc(C(=O)NCCSCc2ccccc2)c2c1CCCC2 97773236 UTIXGONUGJVPJG-UHFFFAOYSA-N 329.469 2.962 0 50 EFAA C/C(=C\Cl)CS(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C 864091669 GKDYUTWXAWVNRV-JATZPVMKSA-N 327.833 2.522 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)cc1 299752481 UGJDBOYUJBARGD-AWEZNQCLSA-N 329.377 2.554 0 50 EFAA Cc1noc(CCNC(=O)COc2cccc3c2ccn3C(C)C)n1 252509530 YPFLFHNPKDBRGX-UHFFFAOYSA-N 342.399 2.651 0 50 EFAA C[C@@H]1Cc2cc(NC(=O)CCN3Cc4ccccc4C3=O)ccc2O1 828060003 USIORRDWVLYEMA-CYBMUJFWSA-N 336.391 2.995 0 50 EFAA Cc1cc(C)n([C@@H](C)CNC(=O)N2CCC3(CCOCC3)CC2)n1 584899458 OXPFJKJZBCBFEA-INIZCTEOSA-N 334.464 2.663 0 50 EFAA C[C@H](N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C)c1ccncc1F 685940769 HROCZWXHHATODY-YWPYICTPSA-N 333.411 2.507 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Cc3cccnc3)cc2)cn1 1875384313 DVOMMCAVRMZUCD-CYFREDJKSA-N 334.423 2.669 0 50 EFAA C[C@@H]1CN(c2ccc3nnc(C(F)F)n3n2)CCN1C1CCCC1 952993885 LFOBPGAJADLZLF-LLVKDONJSA-N 336.390 2.515 0 50 EFAA CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccno2)cc1 1875289484 VUBHECYCQHVCDP-OAHLLOKOSA-N 348.424 2.864 0 50 EFAA CN(c1nnc(-c2cc(-c3ccncc3)[nH]n2)n1C)[C@@H]1[C@H]2CCC[C@H]21 1875276992 VEBZQCUCIAHTKM-VIKVFOODSA-N 335.415 2.502 0 50 EFAA O=C(Nc1c[nH]nc1C1CC1)c1cnn2c1NCC[C@@H]2C(F)(F)F 1875285537 QBZLGEPKIHIKNR-SNVBAGLBSA-N 340.309 2.655 0 50 EFAA Cc1nc(CN2CCC[C@H](CNC(=O)c3occc3C)C2)cs1 952967387 LHKGHUHJNRRFRP-CQSZACIVSA-N 333.457 2.995 0 50 EFAA CN(C)Cc1cc(O[C@@H]2CCN(CCc3cccs3)C2)ccn1 886050554 YPIYAIGQDCZFCQ-QGZVFWFLSA-N 331.485 2.901 0 50 EFAA O=C(Nc1ccc(CN2CCCCC2)cc1)[C@H](O)c1cccnc1 882949356 MHHJMGMARKOJJD-GOSISDBHSA-N 325.412 2.740 0 50 EFAA C[C@@]1(Cc2cccs2)CCCN1C(=O)Cn1nnc2c1CCCC2 885252709 FEDKXLZMWHZUKL-SFHVURJKSA-N 344.484 2.842 0 50 EFAA O=C(NCCc1cncnc1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 888100162 RNCVUHJBIUSIQB-OAHLLOKOSA-N 346.381 2.887 0 50 EFAA Cn1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c2ccccc21 889498024 DTSAGGMZVZVIOA-KRWDZBQOSA-N 348.406 2.817 0 50 EFAA CC(C)C(=O)N1CCN(c2cccc(-n3cnc4ccccc43)n2)CC1 891504751 ZAPBYYMYRYJJSD-UHFFFAOYSA-N 349.438 2.725 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)o1 275252345 CHBQHQPDKCTZSL-OAHLLOKOSA-N 340.383 2.888 0 50 EFAA CCNc1nc(C(=O)Nc2cc(N3CCOCC3)ccc2C)cs1 280718725 HJOQBKDMDJSIJB-UHFFFAOYSA-N 346.456 2.972 0 50 EFAA Clc1cc2c(N3CC[C@H](CNc4ccccn4)C3)[nH]cnc-2n1 754677382 YQPBYPDLPQYSGA-LLVKDONJSA-N 328.807 2.896 0 50 EFAA CCC(CC)c1cc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)on1 189099082 KNCQPTGDDXUGPV-GXTWGEPZSA-N 348.403 2.872 0 50 EFAA CC[C@@H]1C[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CCO1 221767742 XFSVFNMUKQPNDS-ABYLEIOUSA-N 339.382 2.804 0 50 EFAA C[C@H]1CCS(=O)(=O)CCN1C(=O)NCC(C)(C)C1CCCCC1 192030353 RGMVLLQJWYYDGZ-AWEZNQCLSA-N 344.521 2.812 0 50 EFAA O=C(NCCc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1 192743842 KKAILBRNJOLXSA-SFHVURJKSA-N 340.398 2.789 0 50 EFAA Cc1nc2ccc(C(=O)N(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)cc2nc1C 1529195604 MDDOUTZFTIOLHE-WNKDZCFJSA-N 339.439 2.868 0 50 EFAA COc1cc(-c2onc(NCC3CCNCC3)c2C(=O)O)ccc1F 1704316009 SHRZPPPCMIMNIO-UHFFFAOYSA-N 349.362 2.599 0 50 EFAA CCc1ccc(CN(C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)C2CC2)cc1 1704336917 MHSJMNCQICLXTO-NZSAHSFTSA-N 331.456 2.916 0 50 EFAA CCNC(=O)c1ccc(NC[C@H]2CCCN(Cc3ccco3)C2)nc1 1704300943 BZLMJIXSQPPVGQ-OAHLLOKOSA-N 342.443 2.748 0 50 EFAA O=C(O)c1ccc(I)c(Br)c1 32627439 XTSUGBHLVDLGFX-UHFFFAOYSA-N 326.915 2.752 0 50 EFAA in-vitro Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(O)cc(OCC3CC3)c2)n1 1772712097 HNFKNPIRWFISQI-ZDUSSCGKSA-N 343.427 2.813 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cccc(-c3ccco3)c1)C2 1772708393 HTOSQUUXGJGRNZ-APWZRJJASA-N 327.380 2.870 0 50 EFAA CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C[C@@]3(C)CC2=O)cc1 169690407 SZSPPIDCQGEOHT-GJJHYRHESA-N 341.407 2.970 0 50 EFAA COc1cnc(C)cc1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 1857667725 CGUNYGOOZFGSLJ-UHFFFAOYSA-N 338.367 2.721 0 50 EFAA O=C(CSc1ncnc2sc3c(c12)CCC3)NC[C@@H]1CCCO1 619001 GXCCSRFNIZFAJX-JTQLQIEISA-N 349.481 2.567 0 50 EFAA Cc1ccc(C(C)(C)CNC(=O)N2CC[C@@H](C(=O)N(C)C)C2)c(C)c1 413553529 MAUFOZUUJAMGLT-MRXNPFEDSA-N 345.487 2.701 0 50 EFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 332533633 SYGWXFCRNHMMPV-QGZVFWFLSA-N 335.469 2.605 0 50 EFAA CCC(C)(C)OC[C@@H](O)CN1CCc2cc(OC)c(OC)cc2C1 8844705 VBUWNYDTKFBEDV-INIZCTEOSA-N 337.460 2.628 0 50 EFAA biogenic Cc1cc(N2CCC[C@H](Nc3ncnc4c(F)cccc34)C2)n(C)n1 333018156 CTUAQWCMVWGUOW-ZDUSSCGKSA-N 340.406 2.892 0 50 EFAA Cc1cnc(CNC(=O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)o1 333082038 MHUZFNUZSUIXKC-YLJYHZDGSA-N 339.439 2.902 0 50 EFAA CCN(C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)[C@H](C)CS(=O)(=O)CC 245312468 JKFDIXBVRMFTKX-GBJTYRQASA-N 332.510 2.666 0 50 EFAA COc1ccnc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 247910096 UGLYQKYRCKSQJE-MSOLQXFVSA-N 335.407 2.993 0 50 EFAA C[C@](CO)(CNC(=O)CCOc1ccc(F)cc1)Cc1ccccc1 252495246 OOHOAVIEJMTDCS-HXUWFJFHSA-N 345.414 2.952 0 50 EFAA CC(C)[C@H](CNC(=O)NCc1cc(C(N)=O)co1)Cc1ccccc1 252540098 OSYXLTXUKNTYDJ-HNNXBMFYSA-N 343.427 2.693 0 50 EFAA C[C@@H](Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)O 262711334 BRSOPGLWTVVORK-LBPRGKRZSA-N 341.363 2.973 0 50 EFAA Cc1nccc(N2CCN(Cc3noc(C4CCCCC4)n3)CC2)n1 161707084 VTKOTFTWMNNMPX-UHFFFAOYSA-N 342.447 2.538 0 50 EFAA C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(F)cc1Cl)C1CC1 264941939 TZYBXCBZWPBKPR-SECBINFHSA-N 333.812 2.517 0 50 EFAA Cc1ccc(Br)c(C(=O)NCC2(CF)CCOCC2)n1 821437700 WEMRXKSGKDDHKP-UHFFFAOYSA-N 345.212 2.649 0 50 EFAA CC(C)Cn1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1=O 930091772 ZQZUIGURGXUTFJ-UHFFFAOYSA-N 339.395 2.641 0 50 EFAA CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cncc(C(=O)O)c2)cc1 833450295 NEOSCPFTHTYDRC-MRXNPFEDSA-N 342.395 2.541 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](C)NC(=O)c3ccccc32)c(C)c1 935217743 XPFYBOJSUFRQTK-CQSZACIVSA-N 338.407 2.711 0 50 EFAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O 1072419 FRIZNYLAYBBEOT-GFCCVEGCSA-N 328.343 2.826 0 50 EFAA Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc2c(c1)OCO2 4163560 ROMKWYYCNQZKIA-UHFFFAOYSA-N 336.347 2.704 0 50 EFAA O=C(CC[C@H]1CCCOC1)N[C@H](Cn1ccnc1)c1ccccc1 2325761460 MVBXDSRXFNYDGM-SJLPKXTDSA-N 327.428 2.947 0 50 EFAA Cc1sc2cc(C(=O)N[C@@H]3CCN(C)CC3(C)C)[nH]c2c1C(=O)O 2325788699 XWEVYSOYRIMEIV-GFCCVEGCSA-N 349.456 2.696 0 50 EFAA CC(=O)NC1CC([C@H]2CCN(C(=O)c3scnc3C(C)(C)C)C2)C1 2325849095 GPDRSQYBGGYLJJ-HSBZDZAISA-N 349.500 2.817 0 50 EFAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc2ccccc12 145531 OWSAVWPJVNSYOH-MRXNPFEDSA-N 335.367 2.678 0 50 EFAA Cc1c(C(=O)NCC(=O)O)c(-c2ccccc2)nn1-c1ccccc1 186169 QLEPGEGJDAPFNX-UHFFFAOYSA-N 335.363 2.662 0 50 EFAA COc1cccc(OC)c1C(=O)Nc1sc(C)c(C)c1C(N)=O 433083 CLMOKUUPUFFABC-UHFFFAOYSA-N 334.397 2.733 0 50 EFAA CN[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Br)C1 134121731 CSKOBLMOBLHOSL-JTQLQIEISA-N 331.641 2.927 0 50 EFAA O=C(Cc1ccc2c(c1)OCO2)NCc1cccc2ncsc12 2356145913 XNXCLDAJMNZACH-UHFFFAOYSA-N 326.377 2.884 0 50 EFAA C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]cc1-c1cnn(C)c1 352216055 CXODLPIRNKZEIH-ZANVPECISA-N 326.322 2.828 0 50 EFAA CCc1oc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1CN(CC)CC 102815802 ZDCPWSDJZPCVPA-ZSHCYNCHSA-N 334.460 2.812 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cn2c(n1)SCC2 55183231 XDPXESUXHCIQII-HNNXBMFYSA-N 346.456 2.504 0 50 EFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 10342333 YQSWTMNPPWLBEW-UHFFFAOYSA-N 347.318 2.793 0 50 EFAA Cc1cccc(N2CCC(NCCc3nnc(N)s3)CC2)c1C 67513610 VYRZDCUQYOCNAQ-UHFFFAOYSA-N 331.489 2.538 0 50 EFAA CC[C@@H](C)n1ncc(C(=O)NC2CCN(CC(F)F)CC2)c1C 252479131 AZRYBFAJSPGZQA-LLVKDONJSA-N 328.407 2.622 0 50 EFAA Cc1cnn(C[C@H](C)NC[C@H](O)CO[C@H]2CCCc3ccccc32)c1 252474588 HWHNCLFGLPUYKS-QRFRQXIXSA-N 343.471 2.625 0 50 EFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccc(F)cc2)[nH]n1 229714163 GZTSRWUOKIALPQ-PBHICJAKSA-N 328.391 2.572 0 50 EFAA COc1ccc2c(CN3CCS[C@@H]4COCC[C@H]43)cc(=O)oc2c1 230127348 WEHWJYHIVNLUIK-NVXWUHKLSA-N 347.436 2.508 0 50 EFAA C[C@@H](C(=O)Nc1cc(F)ccc1F)n1ncc2ccccc2c1=O 65361805 RZGVMPQUFQGLAE-JTQLQIEISA-N 329.306 2.874 0 50 EFAA O=C(C[C@@H]1COCCN1Cc1cnc(Cl)s1)c1ccco1 121084618 MVTQZPZOMQUITO-SNVBAGLBSA-N 326.805 2.863 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)[nH]n1 67982025 PZAFLAYRJHPEEM-VIFPVBQESA-N 331.807 2.538 0 50 EFAA COC[C@@H](C)NC(=O)c1cc(COc2ccc3ncccc3c2)on1 12201649 VUCNTQOXGAZSTE-GFCCVEGCSA-N 341.367 2.567 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1cccc(-n2cccn2)c1 65418851 QGTPCDZAVGBMLV-OAHLLOKOSA-N 326.444 2.751 0 50 EFAA COc1ccc2ccn(CC(=O)N3c4ccccc4C[C@H]3C)c(=O)c2c1 356072220 QOZZXNJVTYISGI-CQSZACIVSA-N 348.402 2.988 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccn2C2CC2)cn1 328640117 XDPPPWQIGLAQKP-DOTOQJQBSA-N 328.416 2.690 0 50 EFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cccc4c3CCC4)CCO2)o1 328612784 PXBDXWHMLLIWHV-MRXNPFEDSA-N 341.411 2.895 0 50 EFAA CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]c2)CC1 174470944 BHOSDJQQFJBTBO-MRXNPFEDSA-N 334.370 2.597 0 50 EFAA CCc1cnc(C)nc1NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 67690335 JBTQZPAINUPQOJ-UHFFFAOYSA-N 343.456 2.917 0 50 EFAA CC[C@H](C)c1ccc(NC(=O)C[C@](O)(C(=O)OC)C(F)(F)F)cc1 2767778 XFVUMXNZXMZRNT-BONVTDFDSA-N 347.333 2.995 0 50 EFAA CC(C)[C@H](NC(=O)c1ccc(C(=O)O)s1)c1nc(C2CC2)no1 236736052 SBEXRALAGLHQKS-NSHDSACASA-N 335.385 2.834 0 50 EFAA CO[C@@H]1CCN(Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)C1 216325524 BBDCRXFUZSAHST-LJQANCHMSA-N 346.471 2.545 0 50 EFAA CCOc1cccc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)n1 153765419 HSWHQUCKKJHHQF-UHFFFAOYSA-N 347.488 2.956 0 50 EFAA Cc1ccnn1CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77386925 PBTBURYKYCNZJW-HNNXBMFYSA-N 331.391 2.648 0 50 EFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)c1[nH]nc2c1CCCC2 125423705 HEMLBTMQDXJJTP-GOSISDBHSA-N 338.455 2.855 0 50 EFAA Cc1cccc(N2CCC(NC(=O)NCC3CC(F)(F)C3)CC2)n1 489091019 YKESRKBRZXNOEG-UHFFFAOYSA-N 338.402 2.703 0 50 EFAA Cc1ccccc1C1CC(N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)C1 284800614 JWKMHIOFUHZVFF-RLFPARDHSA-N 338.455 2.584 0 50 EFAA CCC(=O)C(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71774536 HIHGIRUTMZJQMQ-SFHVURJKSA-N 327.380 2.727 0 50 EFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](OCc2ccccn2)C1 77300130 BNPPZATXRWLXHJ-HNNXBMFYSA-N 326.400 2.504 0 50 EFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1Cc1nnnn1-c1ccccc1 285385779 ZPOXHBZSOVOGFR-LMMKCTJWSA-N 341.459 2.568 0 50 EFAA COC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2c2ccccc2)c1 374400892 ICOXDWLPGFNVNQ-MRXNPFEDSA-N 340.379 2.786 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 375923424 UXEPHCRPQDWHHS-KRWDZBQOSA-N 339.395 2.726 0 50 EFAA Cc1cc(C(=O)N2CCC[C@](O)(CO)CC2)c2cc(Cl)ccc2n1 72140020 AKUQALQLEHYQDU-GOSISDBHSA-N 348.830 2.546 0 50 EFAA Cc1ccc2[nH]c(CN3CCC(N4CCCC4=O)CC3)nc2c1C 71735723 TVCUWTQAVHJJSC-UHFFFAOYSA-N 326.444 2.767 0 50 EFAA CNC(=O)CC1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72428007 AWVZJPHMLMJQRX-UHFFFAOYSA-N 332.488 2.738 0 50 EFAA CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COC[C@H]1CCCO1 246602631 KICJBMMDWHOOAQ-IIAWOOMASA-N 325.474 2.614 0 50 EFAA Cn1ncc(N2CC[C@H](CNC3CC(C)(C)CC(C)(C)C3)C2)cc1=O 82120674 WXXPWOVOKWXJDR-OAHLLOKOSA-N 346.519 2.801 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)Nc2cccc(F)c2F)C[C@H]1C(F)(F)F 263466903 GKJIPYWZQRXPQT-RNFRBKRXSA-N 338.232 2.692 0 50 EFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC1CCCC1 49549957 CTWCTQKHXFIZJY-UHFFFAOYSA-N 331.803 2.623 0 50 EFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2cccnc2)CC1 82136761 XUHXLTBQPCCCRV-UHFFFAOYSA-N 342.395 2.588 0 50 EFAA CC(C)CN1CCC(CNC(=O)N2CC(c3ccncc3)C2)CC1 426627657 JCPBFADFGDZWBR-UHFFFAOYSA-N 330.476 2.558 0 50 EFAA O=C(NCCn1ccnc1)N1CCC[C@H](COc2ccc(F)cc2)C1 426621533 BTBNBHHJTMHWEH-HNNXBMFYSA-N 346.406 2.523 0 50 EFAA COCC1(C(=O)N2CCC(c3nccn3CC3CC3)CC2)CCC1 82115961 RMVGZKLUSKCWQH-UHFFFAOYSA-N 331.460 2.816 0 50 EFAA COCC[C@H]1CCCCN1C(=O)NCCc1nc(C)c(C)s1 426538403 PQKYAVROYNPXHH-CQSZACIVSA-N 325.478 2.903 0 50 EFAA COCCN(C/C=C/c1ccccc1)C(=O)N[C@@H](C)c1cnn(C)c1 426419677 DLDZHMMAHKXYTM-JCVNQNCUSA-N 342.443 2.853 0 50 EFAA CCc1nc(N)nc(NCc2ccc(C(=O)N3CCCC3)cc2)c1C 95374070 FXYGXNJZLNWKRG-UHFFFAOYSA-N 339.443 2.778 0 50 EFAA COc1cccc([C@@H]2CCCN2Cc2cc(=O)n3nc(C)cc3[nH]2)c1 334159706 SOKSRZAVJIJFQO-KRWDZBQOSA-N 338.411 2.677 0 50 EFAA Cc1nc(CC2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)no1 95503261 OMJTUJXWIVXGAK-CYBMUJFWSA-N 345.447 2.740 0 50 EFAA Cc1nc(-c2c(C)noc2C)sc1C(=O)NCC[C@H](C)CCO 295558281 MMVCOUVXVLXNJP-VIFPVBQESA-N 337.445 2.862 0 50 EFAA CCCn1cnnc1CNC(=O)COc1ccc(Cl)cc1Cl 91585993 SLGFHVRFEFWGOA-UHFFFAOYSA-N 343.214 2.690 0 50 EFAA C[C@@H]1CN(c2cc(Sc3ccc(F)cc3)nc(N)n2)C[C@]1(C)O 91620675 DGXFUPRRWFGCTQ-HWPZZCPQSA-N 334.420 2.556 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 299744799 PYVNRRSSBNRENR-KURKYZTESA-N 339.366 2.967 0 50 EFAA CSc1ccc(C(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)cc1 253378528 PWQLNTDYWYCAAJ-LESCRADOSA-N 342.464 2.916 0 50 EFAA COCCN1C[C@@H](Cc2ccc(OC)c(C(F)(F)F)c2)CC1=O 252499357 RZFYRKVDXPUBBB-LBPRGKRZSA-N 331.334 2.751 0 50 EFAA CN(C)Cc1ccccc1CN(C)C(=O)NCc1cccc(CO)c1 534670800 BXVQPYSFZMEYTR-UHFFFAOYSA-N 341.455 2.582 0 50 EFAA Cc1oc(CN(C)C(=O)/C=C/c2ccc3c(c2)CCO3)cc1C(=O)O 268921343 ALMREJTXJDWHNB-GQCTYLIASA-N 341.363 2.893 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1cnn(C)c1 534663411 WDIHFJXTWRJFJP-AWEZNQCLSA-N 332.452 2.733 0 50 EFAA Cn1ccc2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)nc21 1940197036 NNPCPVMMENTXQX-UHFFFAOYSA-N 335.407 2.697 0 50 EFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccc(SCCO)cc1 299799160 RAOFIWTWHSEYNG-HNNXBMFYSA-N 335.469 2.993 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCc4nc[nH]c4C3)c12 646257870 OAIWZZSVOTUJMC-UHFFFAOYSA-N 325.372 2.576 0 50 EFAA O=C(NCCc1ccccc1)C1CCN(C(=O)C2CC=CC2)CC1 584902943 ANISNAMQGVJBAQ-UHFFFAOYSA-N 326.440 2.550 0 50 EFAA 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EFAA Cn1cc([C@H]2CN(C(=O)c3ccc(O)c(F)c3F)CC2(C)C)cn1 1875283917 HMWUFPLYRTVPQF-GFCCVEGCSA-N 335.354 2.670 0 50 EFAA c1cc2c(N[C@H]3CCCN4CCSC[C@H]34)nc(C3CC3)nc2[nH]1 1772525586 WPLJQNBODCULQW-UONOGXRCSA-N 329.473 2.827 0 50 EFAA C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccnn1C 896262682 IPQMBUZOWHTHGT-ZFWWWQNUSA-N 346.406 2.873 0 50 EFAA CC(C)n1cccc1C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 275638564 NMEAXOLMSJJJFK-OAHLLOKOSA-N 342.443 2.824 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)s1 276342563 UKBWFHIRGWQFQW-QWHCGFSZSA-N 348.472 2.789 0 50 EFAA C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2F)C[C@@]2(CCOC2)O1 280438054 XZVRFTYTWKIESQ-BDJLRTHQSA-N 342.798 2.569 0 50 EFAA CC(C)(CNC(=O)[C@@H]1CNC(=O)C1)c1c(Cl)cccc1Cl 171560501 PWSZZJPYBIJCEO-VIFPVBQESA-N 329.227 2.523 0 50 EFAA Cc1ccnc([C@@H]2CCN(CCCN3CCN(C(C)C)CC3)C2)c1 408523838 NXNXETVWQVAUNT-LJQANCHMSA-N 330.520 2.595 0 50 EFAA COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cnc(OC)nc1C 410391447 LNYNOCCOZOOSKU-RDJZCZTQSA-N 347.459 2.737 0 50 EFAA 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341.499 2.640 0 50 EFAA COC(OC)[C@H](C)N(C)C(=O)Nc1ccccc1Br 1310093596 RVNHQVIUNKOHHP-VIFPVBQESA-N 331.210 2.920 0 50 EFAA Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1ccccc1 1411409 YSUAHWBNDNZDME-UHFFFAOYSA-N 331.375 2.837 0 50 EFAA Cn1ncc(C(=O)N[C@@H]2CCc3ncccc3C2)c1Cc1ccccc1 2325774661 GURAZHIQBTYZFS-QGZVFWFLSA-N 346.434 2.693 0 50 EFAA FC(F)Cn1ccc(CNCc2n[nH]c3ccc(Cl)cc23)n1 2325783908 KADWAFPJYXKYKE-UHFFFAOYSA-N 325.750 2.968 0 50 EFAA O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 115718 RQUNJVUPVAUKAI-UHFFFAOYSA-N 334.828 3.000 0 50 EFAA CCOC(=O)CS[C@@H]1Sc2ccccc2N1CC(=O)OCC 405476 ZYARCAKRXGQYQI-OAHLLOKOSA-N 341.454 2.742 0 50 EFAA CCCCn1nnnc1NCc1cc(Cl)c(OC)c(OC)c1 2181896 YMWRLNZFLBJEGN-UHFFFAOYSA-N 325.800 2.756 0 50 EFAA Cc1ccc2[nH]cc(-c3cnc4c(N5CC[C@H](O)C5)nccn34)c2c1 2356154108 IICHESSPUYLZQS-ZDUSSCGKSA-N 333.395 2.757 0 50 EFAA COC(=O)c1c(NC(=O)C=C(C)C)sc2c1[C@@H](C(=O)OC)CC2 4342052 LBTDCDXMLUHXTK-VIFPVBQESA-N 337.397 2.642 0 50 EFAA Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1C 8291556 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CC(C)[C@@H]1CN(C(=O)COc2ccccc2O)CCCN1CC1CC1 71681381 GAYCETUNZMWJQR-KRWDZBQOSA-N 346.471 2.740 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1sc(C)nc1C 219915724 DPXOIJXAFWOHMY-CABCVRRESA-N 338.473 2.559 0 50 EFAA COc1cc(CN[C@H]2C[C@H](N)c3ccccc32)cc(OC)c1OC 261657965 KJSUQHCSSUDRHP-HOTGVXAUSA-N 328.412 2.947 0 50 EFAA CC1=CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC1 284814578 NWHQYTVNZVUQNN-PKOBYXMFSA-N 339.439 2.702 0 50 EFAA Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@@](O)(CO)C3)o2)cc1 72152670 QOJWVECABZQGKZ-FQEVSTJZSA-N 343.423 2.533 0 50 EFAA CCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccn1 72477074 UYLCVSFUTWFUSS-UHFFFAOYSA-N 327.403 2.741 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cnccc2C)n1C 372567182 GBJWEMXIXDBJDF-QGZVFWFLSA-N 326.444 2.815 0 50 EFAA Cc1cc(C)cc(N2CCN(Cc3cnn(C)c3C3CC3)CC2=O)c1 72157251 BXNDFWBPWREGRT-UHFFFAOYSA-N 338.455 2.763 0 50 EFAA CO[C@@H](C)c1nc(CNC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 241657672 PYHHLCSXCVSWID-NWDGAFQWSA-N 349.460 2.663 0 50 EFAA CN(CC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(Cl)cn1 241774142 RNJHHUUEVLYSTG-GJZGRUSLSA-N 333.794 2.983 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262339476 CFNNBPAOBDGOTA-LLVKDONJSA-N 342.317 2.736 0 50 EFAA Cc1nccnc1[C@H](C)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 376119873 WYUGMDCHTXKORH-YUTCNCBUSA-N 329.404 2.616 0 50 EFAA CCn1ccnc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 376559751 YVEVCYFTAJLFHW-UONOGXRCSA-N 331.420 2.865 0 50 EFAA CC[C@H](NC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[C@@H]1CCCO1 378269548 YSCNDUJLHGQBGD-KKUMJFAQSA-N 348.447 2.794 0 50 EFAA Cc1cc2n(n1)CCCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 72434429 GKJTYMVMEJAKFH-UHFFFAOYSA-N 341.455 2.941 0 50 EFAA CCCNc1ncc(CN2CCc3[nH]cnc3[C@H]2c2cccnc2)cn1 216274624 RMAGLDYNEHTDBY-GOSISDBHSA-N 349.442 2.564 0 50 EFAA Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCc2cccs2)cn1 77487226 OGTRRCFUUZAFEB-CYBMUJFWSA-N 339.486 2.658 0 50 EFAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc3ncccc3c2)C1 286318885 JDKVFEUKZADINV-ROUUACIJSA-N 339.439 2.560 0 50 EFAA 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Cc1ccc(N2CC[C@@H](CNC(=O)c3c(Cl)cnn3C)C2)cc1 299758652 KNTDWZLUCOAQLK-ZDUSSCGKSA-N 332.835 2.638 0 50 EFAA Cn1ccc2c(-c3nc(C(C)(C)N4CCOCC4)n[nH]3)cccc21 825640362 FWSCPDRWBNNBQS-UHFFFAOYSA-N 325.416 2.531 0 50 EFAA Cc1nn(Cc2cc(-c3ccco3)on2)c(C)c1[C@H]1COCCN1C 952893811 KJLQPCFYJHSDJA-OAHLLOKOSA-N 342.399 2.799 0 50 EFAA O=C(O)C1(C(=O)N[C@H]2CCCc3c2cnn3C2CCCC2)CC=CC1 1875291549 DBZUJUWYKRUWMI-HNNXBMFYSA-N 343.427 2.913 0 50 EFAA Nc1c(F)cccc1CN1CCC[C@@H](c2nc(C(=O)O)cs2)C1 1875283623 YGDREOWQVQRQNZ-LLVKDONJSA-N 335.404 2.942 0 50 EFAA CC(C)(C)O[C@@H]1C[C@@H](CC(=O)N2CCc3c(O)ncnc3C2)C1(C)C 1875280712 ZRMQMDFGOJZQCE-SWLSCSKDSA-N 347.459 2.687 0 50 EFAA CCO[C@@H]1C[C@H](Nc2ncnc3sc(C)nc23)C12CCOCC2 1875286670 AFENZJDAMUWECM-NWDGAFQWSA-N 334.445 2.781 0 50 EFAA N[C@H](C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(F)cc1F 1875344923 PANWDELJFCETJZ-CWRNSKLLSA-N 336.313 2.553 0 50 EFAA O=C1CC[C@H](c2cccc(N=c3[nH]ccn4nc(C5CC5)cc34)c2)N1 1875307098 KICWYEXNJQIYND-OAHLLOKOSA-N 333.395 2.723 0 50 EFAA 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NGVAXXNTKUIJHB-CXAGYDPISA-N 339.399 2.526 0 50 EFAA CC(C)c1ncc(Br)c(C(=O)N(C)c2ccon2)n1 905996005 HPISQLKXYMQZGK-UHFFFAOYSA-N 325.166 2.627 0 50 EFAA Cc1cccc(N2CCC(N[C@H]3COC4(CCNCC4)C3)CC2)c1C 1506410423 TZBCDALYBVCQSN-LJQANCHMSA-N 343.515 2.773 0 50 EFAA CC(C)=CCN1CCC[C@@H](CNC(=O)CCN2CCCCCC2=O)C1 1506404822 JCKFTEYBNZCOPS-SFHVURJKSA-N 349.519 2.574 0 50 EFAA CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5868476 YHZDXVYGJNMJIC-HNNXBMFYSA-N 334.441 2.831 0 50 EFAA CN1CCCC[C@@H]1CNC(=O)c1coc(COc2ccccc2F)n1 12227962 XJNGPUXYTPDIPL-CYBMUJFWSA-N 347.390 2.607 0 50 EFAA c1cncc(CN2CN(C[C@H]3CCCO3)c3nc4ccccc4n3C2)c1 13633948 RLJAUVFULRGUHM-QGZVFWFLSA-N 349.438 2.848 0 50 EFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1Cc1ccccc1 13720677 DBPOLEDODYOAMQ-UHFFFAOYSA-N 345.284 2.506 0 50 EFAA CCCn1cc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)n1 14971027 ZQZWUDZTIHKUEB-SFHVURJKSA-N 344.434 2.631 0 50 EFAA Cc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O 18223087 NAZXLVXYURPGGE-SFHVURJKSA-N 347.418 2.941 0 50 EFAA C[C@H](CO)Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 19336968 VUVWLCAXRWNVDG-LLVKDONJSA-N 328.347 2.654 0 50 EFAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 169299886 FLINENSKWZJVQL-OAGGEKHMSA-N 331.799 2.818 0 50 EFAA C[C@@H](c1nc2ccccc2s1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635015682 HCVSNXZMRKQUON-LRDDRELGSA-N 345.468 2.838 0 50 EFAA Cc1ccc(-n2[nH]c(C(=O)NC3(C(F)F)CCCC3)cc2=O)cc1 644559805 DXEUFGPDOIWHHA-UHFFFAOYSA-N 335.354 2.782 0 50 EFAA CCn1c([C@H](C)NC(=O)c2ccc(C(=O)O)o2)nc2ccccc21 237223487 OGQMUUDLOSIONW-JTQLQIEISA-N 327.340 2.838 0 50 EFAA Cc1cccc2c(CCC(=O)N(CC(=O)O)C3CCOCC3)c[nH]c12 237759661 UOMZYDISRHUGEQ-UHFFFAOYSA-N 344.411 2.501 0 50 EFAA C[C@H](Oc1ncccc1C(=O)NCC1(CO)CCCC1)C(F)(F)F 252497695 QNGXGQOJDMLLLU-NSHDSACASA-N 346.349 2.694 0 50 EFAA COc1coc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1=O 253394914 HGTPHYLMSPNTJV-DYVFJYSZSA-N 343.379 2.559 0 50 EFAA Cn1cccc1C(=O)Nc1ncccc1CNC(=O)OC(C)(C)C 496759142 NHNQJVVCPWLMRY-UHFFFAOYSA-N 330.388 2.697 0 50 EFAA CO[C@@H]1CN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@@](C)(C(=O)O)C1 907736287 FTLHZJVVCLXNKB-KPZWWZAWSA-N 333.384 2.739 0 50 EFAA Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C 830368603 YUIRYQAQKRHGEK-APHBMKBZSA-N 331.391 2.823 0 50 EFAA CS(=O)(=O)c1ccsc1NC(=O)Cc1ccc2cccnc2c1 1265289015 HQRGJIIIINLAHA-UHFFFAOYSA-N 346.433 2.881 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 262741265 AKBYBBIQLMPRRF-KSSFIOAISA-N 338.407 2.635 0 50 EFAA Cc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nc1O 8753730 WRFZJVDMSKNDAC-RAIGVLPGSA-N 339.461 2.982 0 50 EFAA CCn1nc(CNC[C@]2(O)CCOc3ccccc32)c2ccccc21 2325774257 XKRFOYQHTKFTTA-HXUWFJFHSA-N 337.423 2.816 0 50 EFAA Fc1cc(F)cc([C@@H]2CCCN2c2ccnc(N[C@H]3CCNC3)n2)c1 2325798181 STLZTICOOMHBBJ-HOTGVXAUSA-N 345.397 2.870 0 50 EFAA C[C@@H](C(=O)O)C1CCN(C(=O)c2ccc([C@H]3CCOC3)cc2)CC1 2325813098 LHYUGSIDIPFJMT-DYVFJYSZSA-N 331.412 2.763 0 50 EFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C2)n[nH]1 938950343 XUBGHRQXRZWHCR-ZFWWWQNUSA-N 346.475 2.690 0 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EFAA CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC 9194005 AEQQTRNGACIZOY-UHFFFAOYSA-N 341.209 2.977 0 50 EFAA COCc1cccc(CC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 282716324 YYTYLOKDGKMNDT-MOPGFXCFSA-N 343.398 2.849 0 50 EFAA CN(C)[C@H](CNC(=O)[C@H]1C[C@H]1c1cccnc1)c1c(F)cccc1F 248017536 QMXVJZBUMWBRTH-GRDNDAEWSA-N 345.393 2.882 0 50 EFAA COc1ccc([C@H](NC(=O)c2cn(C)c3ccccc23)C(=O)O)cc1 346022193 XZULSJIEGYCQHG-KRWDZBQOSA-N 338.363 2.743 0 50 EFAA CC(=O)c1cc(CN(CCN2CCOCC2)Cc2ccco2)cs1 55120274 ICDUCEFFDQKQIP-UHFFFAOYSA-N 348.468 2.878 0 50 EFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348255969 HBKFLSDDRKOCNL-CJNGLKHVSA-N 325.343 2.650 0 50 EFAA O=C(CCc1nc(-c2ccccc2)no1)N1CC(c2cccnc2)C1 77506186 DAPAKQOGQINEPG-UHFFFAOYSA-N 334.379 2.690 0 50 EFAA NCCNC1CCN(c2ccc(-n3cnc4ccccc43)cc2)CC1 63884603 DIHZCVDZARSWFV-UHFFFAOYSA-N 335.455 2.543 0 50 EFAA CC1(C)[C@H](NC(=O)NCc2cccc3cccnc23)[C@@H]2CCO[C@H]21 230154338 HWNJQVMCVOFUBB-USXIJHARSA-N 325.412 2.848 0 50 EFAA O=C(c1cn[nH]c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 122308203 UCEHHDVSSQDCJO-QMMMGPOBSA-N 330.335 2.905 0 50 EFAA COc1ccc([C@@H]2CC(=O)Nc3onc(C)c32)cc1Cn1cccn1 65398000 TZUVGILKZOZGFH-AWEZNQCLSA-N 338.367 2.711 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ccnn1C 331733578 RNDITURREORYBC-CZUORRHYSA-N 343.431 2.822 0 50 EFAA CC(C)(C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088958 PRWCFDQOSRMGQN-UHFFFAOYSA-N 349.228 2.848 0 50 EFAA Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cnc2ccccc12 360967884 DZCWVELZMPPGKX-IBGZPJMESA-N 345.402 2.596 0 50 EFAA COCc1ccsc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 360931148 MEWHPTLWTYOCCZ-GFCCVEGCSA-N 348.399 2.569 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)[C@@H]1CCCO1 11665275 DPLUHDTUTDKANA-IBGZPJMESA-N 337.423 2.757 0 50 EFAA Cc1ccc(OCCC(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1C 124822434 HECKHXNFXAYVKS-INIZCTEOSA-N 343.427 2.944 0 50 EFAA Cc1nnnn1CCCN1CCC[C@@H](CCc2c(F)cccc2F)C1 72167670 KKLDWGPKAQOQEJ-HNNXBMFYSA-N 349.429 2.995 0 50 EFAA O=C(c1cc(=O)c(OCc2ccccc2Cl)c[nH]1)N1CCCC1 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COCCN(Cc1ccccn1)C(=O)[C@@H](c1cccc(C)c1)N(C)C 91645241 KLIYOUQSZBPGQJ-LJQANCHMSA-N 341.455 2.668 0 50 EFAA CCCc1nc(C(=O)N[C@@H]2CCCc3nc(N(C)C)ncc32)cs1 91586233 UAZYLHNQULCOOS-GFCCVEGCSA-N 345.472 2.759 0 50 EFAA O=C(CN1CCCCC1=O)NCCCSc1ccc(Cl)cc1 97813609 HDGQZRDLKGMESP-UHFFFAOYSA-N 340.876 2.951 0 50 EFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cn4nccc4C)C3)nc12 91255759 QDHOQJVLXQEFBO-OAHLLOKOSA-N 337.427 2.782 0 50 EFAA COc1cccc2c1OCCCN(C(=O)c1ccc3nccn3c1)C2 91943081 ONTTUKRWXRZWFB-UHFFFAOYSA-N 337.379 2.768 0 50 EFAA Cc1nnc(CCNCc2cc(=O)c3cccc(Cl)c3[nH]2)s1 91326236 LEFUCMGLJSBMSO-UHFFFAOYSA-N 334.832 2.674 0 50 EFAA Cc1cccc(OC2CN(C(=O)COc3ccc(F)cc3F)C2)c1 91664862 REBIZNUBVCRTSN-UHFFFAOYSA-N 333.334 2.942 0 50 EFAA C[C@@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)n1ccnc1 97570930 SXBQLVNFGQYHBO-LBPRGKRZSA-N 339.374 2.558 0 50 EFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)Cc2ccncc2)C3)c1 96163771 AGHOSCUXKHYZSS-UHFFFAOYSA-N 348.406 2.608 0 50 EFAA COCc1noc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 182487572 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2.613 0 50 EFAA CCC1(CNCc2c(Br)nc3n2CCOC3)CCC1 952992624 ASQURDJGXDDVQQ-UHFFFAOYSA-N 328.254 2.846 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)N1CCOC[C@@H]1C1CC1 1875254071 JNTDLZJDGIOGHK-KURKYZTESA-N 330.428 2.807 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc(-c3ccccc3)n2)C1 884555096 KSZJLVZDBBWZQZ-AWEZNQCLSA-N 341.415 2.960 0 50 EFAA C[C@@H](CC(=O)N1CC(c2cc(CO)on2)C1)c1c[nH]c2ccccc12 886085306 CRFZNUJWMUDBLB-LBPRGKRZSA-N 339.395 2.768 0 50 EFAA Cc1cc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc(O)n1 886565401 QWGHJFIGILTHAG-CYBMUJFWSA-N 340.301 2.578 0 50 EFAA O=C(NCCC1CCC(F)(F)CC1)c1coc2c1C(=O)NCCC2 890054627 ZZSPHATVCYLKNF-UHFFFAOYSA-N 340.370 2.901 0 50 EFAA Cc1cnnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 891850511 TVDJTRWXYRRVPS-UHFFFAOYSA-N 342.418 2.765 0 50 EFAA C[C@@H]1CC=CC[C@H]1NC(=O)NCCc1nnc(-c2ccccc2)o1 893779189 TVAKYHIKWNFOGM-UKRRQHHQSA-N 326.400 2.933 0 50 EFAA Cc1ccc(-c2ccccc2CN2CC(O)(c3ncnn3C)C2)c(C)c1 896013190 WXLYHLFMSFHJPX-UHFFFAOYSA-N 348.450 2.802 0 50 EFAA FC1(F)CCCCC[C@@H]1NCc1ccc(N2CCOCC2)nc1 1775993850 WMCACJQHFXRFSX-HNNXBMFYSA-N 325.403 2.976 0 50 EFAA O=C1CCCc2cc(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)ccc21 1775986255 GGKRNFDRYKVWPA-INIZCTEOSA-N 341.329 2.735 0 50 EFAA CCOC(=O)C(F)(F)[C@@]1(O)CCCN(C(=O)CCCC2CC2)CC1 1775999325 SDGYAQADCHYAKP-MRXNPFEDSA-N 347.402 2.509 0 50 EFAA CCc1nc(C)c(C(=O)N2CCCN(Cc3ccsc3)CC2)o1 989415312 BPZTZIOJSRFMBW-UHFFFAOYSA-N 333.457 2.955 0 50 EFAA CC(C)(C)S(=O)(=O)CCN1CC=C(c2c[nH]c3ncccc23)CC1 170007650 ONNCKXSRKWOPMV-UHFFFAOYSA-N 347.484 2.865 0 50 EFAA Cc1cc(Br)oc1C(=O)NCc1cccc(C(=O)O)c1 170045153 XJFGDGUGUSGGEV-UHFFFAOYSA-N 338.157 2.979 0 50 EFAA CNC(=O)c1ccc(N[C@H](c2cccc(F)c2)c2ccccn2)nn1 301866201 FZENUESXUDYPKP-QGZVFWFLSA-N 337.358 2.572 0 50 EFAA CCOCCOc1cc(C)ccc1CN1C(=O)N[C@@H]([C@@H](C)CC)C1=O 170592699 JWILUHNBLWPAOE-YOEHRIQHSA-N 348.443 2.877 0 50 EFAA C/C(=C\C(=O)NCc1nnc(S)n1C)C12CC3CC(CC(C3)C1)C2 170623273 QBVORNMJEBXAJX-QDEBKDIKSA-N 346.500 2.883 0 50 EFAA COc1ccccc1N1CC[C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)C1 280879638 YNKSPSDBDLJMKN-XYJFISCASA-N 346.471 2.579 0 50 EFAA O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@](O)(C(F)F)C1 408519892 LOBVTAKTFSEUGX-MRXNPFEDSA-N 338.379 2.581 0 50 EFAA CC1([C@@H]2CCCN(C(=O)c3cc(Cl)cc(F)c3N)C2)OCCO1 281350544 VKCNKMIEAFXTFE-SNVBAGLBSA-N 342.798 2.677 0 50 EFAA CCC[C@]1(C)C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 187335475 ADIJXKAHQCMNGD-GOSISDBHSA-N 331.391 2.971 0 50 EFAA COCCn1ccc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)n1 187776185 HPQZBSBROAIQFQ-HLLBOEOZSA-N 327.428 2.936 0 50 EFAA Cc1c(C(=O)N(C)CCOc2ccc(O)cc2)[nH]c2c1C(=O)CCC2 225394681 JZOHQMWXLPYZPW-UHFFFAOYSA-N 342.395 2.699 0 50 EFAA OCC1([C@@H](NCc2cccc3c2CCOC3)[C@H]2CCCO2)CCC1 639768002 QVSCSNUISBCYAI-MOPGFXCFSA-N 331.456 2.559 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 189914052 GIEIDGWNLAZZQD-INIZCTEOSA-N 329.400 2.766 0 50 EFAA CN(C)c1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cn1 643350808 VYXGVUOOAOHFLR-OAQYLSRUSA-N 339.483 2.965 0 50 EFAA COc1cccc2c1CC[C@@H](NC[C@@H]1CCO[C@H]1c1nccn1C)C2 658275876 JVPNHRWZIKWRJD-FRQCXROJSA-N 341.455 2.653 0 50 EFAA COc1cc(C(=O)N2CC[C@](C(=O)O)(C(C)C)C2)c2ccccc2n1 659153140 XMFMVNPRRHGXRC-LJQANCHMSA-N 342.395 2.816 0 50 EFAA CCC(CC)(CNC(=O)c1cc(O)n(C)n1)N[C@@H](C)c1ccccc1 668717223 RXCKLYMLOJQXPV-AWEZNQCLSA-N 344.459 2.765 0 50 EFAA CC(C)Oc1cc(N2C(=O)N[C@@H](Cc3ccccc3)C2=O)ccn1 672108957 KGJPEKJZBJJSBX-HNNXBMFYSA-N 325.368 2.536 0 50 EFAA c1ccc(CN2C[C@@H]3[C@@H](CC[C@H]3Nc3ncnc4nccnc34)C2)cc1 680018193 YUPNQAFZFYBADV-GVDBMIGSSA-N 346.438 2.742 0 50 EFAA O=C(Cc1ccccc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529142008 WZHSLNHRCTXVKG-WOJBJXKFSA-N 336.435 2.513 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccc(F)cc3Cl)C[C@@H]12 1529162367 ZEEURDNENNBMPH-WBVHZDCISA-N 340.826 2.850 0 50 EFAA Cc1ccc2c(C(=O)NCc3cn4c(C)c(C)sc4n3)cnn2c1 1772704270 DKDZKELNRDZLDY-UHFFFAOYSA-N 339.424 2.899 0 50 EFAA COc1ccc(OCCNC(=O)c2cc(Br)c[nH]2)cc1 138997263 IQSSMZAVTFNGSQ-UHFFFAOYSA-N 339.189 2.595 0 50 EFAA O=C(CCc1cn[nH]c1)N1CCO[C@@H](CCCc2ccccc2)C1 12385654 ZROLLFDNHQEORE-SFHVURJKSA-N 327.428 2.593 0 50 EFAA COC(=O)CCCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 12386639 IXLWNTWTWWZXGV-SFHVURJKSA-N 346.471 2.543 0 50 EFAA CC[C@@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13710954 YXJTTXSNKRNDLU-INIZCTEOSA-N 338.473 2.680 0 50 EFAA CC(C)CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C 14744224 GYNOLCHEMUNJIF-UHFFFAOYSA-N 329.444 2.571 0 50 EFAA COc1ccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C 15001466 ZLNBVIMGLUOPHK-QGZVFWFLSA-N 342.443 2.505 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2C)nc(N)n1 15066577 VTYVPTJERUTXQV-UHFFFAOYSA-N 349.394 2.793 0 50 EFAA COc1ccc(OCC(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 19556778 KMMKMYRTVBSPHY-KRWDZBQOSA-N 344.455 2.575 0 50 EFAA Cc1n[nH]c(C)c1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857695400 IGFQHGBGKHDDQK-UHFFFAOYSA-N 349.438 2.668 0 50 EFAA CCS(=O)(=O)c1ccc(O)c(Nc2cc(C)nc(SC)n2)c1 8614926 LGDULKPAXYPOIO-UHFFFAOYSA-N 339.442 2.750 0 50 EFAA COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1 130932511 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2.701 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](C)NC(=O)c3ccccc32)c(C)c1 935217742 XPFYBOJSUFRQTK-AWEZNQCLSA-N 338.407 2.711 0 50 EFAA Cc1ccc2nnc(CNc3ncnc4c3cnn4C(C)(C)C)n2c1 856765661 JCCLTBGDNYUCGS-UHFFFAOYSA-N 336.403 2.545 0 50 EFAA COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1C 234798576 PDULYUAUOPQYCX-RNCFNFMXSA-N 327.178 2.653 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1cccc(Br)c1 237490735 SZYQUVWTXUYNEB-FZMZJTMJSA-N 325.250 2.720 0 50 EFAA CO[C@@H](CC(C)C)CN1C[C@H](c2ccc(F)cc2)CS1(=O)=O 2325765073 XKPCUZLPQKOCKH-HOCLYGCPSA-N 329.437 2.616 0 50 EFAA CO[C@H]1CN(C(=O)c2cnc(O)c(Cl)c2)CCc2ccccc21 2325791256 HTSWEUNKTADASC-HNNXBMFYSA-N 332.787 2.827 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)c1nc(C3CC3)n3ccccc13)C2 2325799515 DOEBTCRXYPTRAW-BNOWGMLFSA-N 339.395 2.537 0 50 EFAA COCc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1 2325800731 CZMAFGLFRUMCDW-UHFFFAOYSA-N 343.412 2.739 0 50 EFAA Cc1cc(C)c([C@H](N)C(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1 2325851523 BGFPPXUHLFRNIL-INIZCTEOSA-N 328.368 2.654 0 50 EFAA 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248017538 QMXVJZBUMWBRTH-JJRVBVJISA-N 345.393 2.882 0 50 EFAA Cc1cccc(S(=O)(=O)CCCN2CC[C@@H]3OCCC[C@H]3C2)c1 248626237 OBTFLDKGXBAKBH-WMZOPIPTSA-N 337.485 2.660 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc(C(=O)O)c1C 248880079 ODLKOILBOJKRDR-CZUORRHYSA-N 337.441 2.955 0 50 EFAA CC[C@H](NCCc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1 67673828 QSXMONUNMBUVIG-INIZCTEOSA-N 326.444 2.838 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 136573896 CCHMGHMCTVTEAV-IAGOWNOFSA-N 333.476 2.524 0 50 EFAA CCCC[C@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)O 20130848 CFLCTLPGOVFOTP-ZDUSSCGKSA-N 348.424 2.802 0 50 EFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)CCCc1cn[nH]c1 1506419425 BYDYYGGQCGTMIU-ZDUSSCGKSA-N 329.400 2.723 0 50 EFAA C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(N(C)c2ccccc2)nc1 422002102 HEEGVVBVSZAAKG-RHSMWYFYSA-N 325.412 2.835 0 50 EFAA CCc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)ccc1F 350478751 NJVLVLUKPUGWTF-UHFFFAOYSA-N 333.335 2.651 0 50 EFAA CCc1nccn1C[C@@H](C)NCc1ccc(N2CCCC2=O)cc1 1506428515 XMBFGPZJTUCREG-OAHLLOKOSA-N 326.444 2.751 0 50 EFAA Cc1csc(N(C(=O)CCn2c(C)c(C)sc2=O)C2CC2)n1 173123231 QLIQEIPZEJGXOL-UHFFFAOYSA-N 337.470 2.877 0 50 EFAA COc1ccccc1[C@H](C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 230229377 SPDBYJBQKFEKPD-JFIYKMOQSA-N 345.487 2.924 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)[C@H](C)c2ccsc2)o1 328615467 YNTYFOJCISGMKE-DGCLKSJQSA-N 335.429 2.958 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@@H]1Cc2ccccc2[C@@H]1O 328649854 VGMOPAGKYOBLST-NRDMVMEKSA-N 337.467 2.665 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2n[nH]c3c2CCCC3)cc1 67473115 CMLONKCXXIIVKJ-OAHLLOKOSA-N 340.471 2.906 0 50 EFAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253395236 CQRHZOZQLSVURC-QXAKKESOSA-N 343.398 2.981 0 50 EFAA C[C@H]1CCc2n[nH]c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)c2C1 77459377 XOOPJSZOHBPVRY-AWEZNQCLSA-N 349.438 2.992 0 50 EFAA Cn1ccnc1[C@@H](Nc1nccc(C(F)(F)F)n1)C1CCOCC1 284658686 VYMWFARSNAKKTL-LBPRGKRZSA-N 341.337 2.809 0 50 EFAA COCc1cc(NC(=O)c2cc(C)cc(Br)c2)ncn1 152464410 AGMPQHHBTXTNPV-UHFFFAOYSA-N 336.189 2.946 0 50 EFAA CCCn1ncc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1C 72129452 GXYWXPAACOLVOL-CQSZACIVSA-N 341.411 2.929 0 50 EFAA CC(C)CO[C@H]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 127733118 WLZWSSQMRQWAJL-QMMMGPOBSA-N 338.355 2.836 0 50 EFAA CCCOc1c(CN2CCOC[C@H](CO)C2)cc(Cl)cc1OC 77540500 DIHHXGYESFFNHQ-ZDUSSCGKSA-N 343.851 2.578 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 156526826 DOXNHIPSPDBAHL-NWDGAFQWSA-N 332.835 2.930 0 50 EFAA C[C@@H]1CN(C(=O)Cc2n[nH]c3ccccc23)c2ccccc2N(C)C1=O 369625608 LZZKKAQVWLLUMG-CYBMUJFWSA-N 348.406 2.751 0 50 EFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cccnc2O)C1 343754529 JWVPZYLZZVWRMO-AWEZNQCLSA-N 329.375 2.634 0 50 EFAA COCc1cc(CN2CCN(Cc3cccnc3)CC2)ccc1OC 215897624 YBZAITGTWPRQEG-UHFFFAOYSA-N 341.455 2.554 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 237655439 JKSZLSSJRSYRHK-INIZCTEOSA-N 333.775 2.667 0 50 EFAA CN1Cc2ccccc2[C@H](NC(=O)c2ccoc2Br)C1 373213971 DPXRPSKUDJEQKH-CYBMUJFWSA-N 335.201 2.959 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 238075466 XMCFCRMGDKMOSW-AVGNSLFASA-N 327.302 2.885 0 50 EFAA O=c1[nH]nc(C2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1 71575390 YOOXBEKDAKVEJH-UHFFFAOYSA-N 348.450 2.999 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C1CCN(c3cccc(Cl)c3)CC1)C2 72440547 CZCBIKRWCJMDRS-KBXCAEBGSA-N 347.890 2.861 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 239367322 AIFRJBAJOKJOBQ-XZJROXQQSA-N 348.834 2.964 0 50 EFAA Cc1cccc(C)c1OCCN1CCC(c2ccnn2CCO)CC1 195513517 YCHAGOYQZQYXPX-UHFFFAOYSA-N 343.471 2.751 0 50 EFAA CCc1noc([C@@H](C)NC(=O)N(C)Cc2ccc3nsnc3c2)n1 426401694 HXTWHBLZQFLJLZ-SECBINFHSA-N 346.416 2.539 0 50 EFAA COc1ncccc1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 19761485 UMAQCUPAQIKKQY-OAHLLOKOSA-N 332.425 2.738 0 50 EFAA Cc1nnsc1CNC(=O)c1ccc(N2CCCCCC2)nc1 292165643 UJJGRIJKSXRYAZ-UHFFFAOYSA-N 331.445 2.552 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2ccc(N)nc2)cc1 426728200 GQFUEQKKJRMIEO-UHFFFAOYSA-N 349.438 3.033 0 50 EFAA Cn1c(CN2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc2ccccc21 92107524 RYRJIBZTJMMRDS-RTBURBONSA-N 341.499 2.705 0 50 EFAA O=C(NCCc1cccc(O)n1)C1(N2CCCCC2)CCCCC1 426472583 BMIMITKGVVHZHW-UHFFFAOYSA-N 331.460 2.635 0 50 EFAA COc1ccccc1-n1cc(C(=O)N(C)[C@H](C)c2ccncn2)cn1 91441620 UINKSUFTMUQWCJ-CYBMUJFWSA-N 337.383 2.504 0 50 EFAA COCCC[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 91494330 HEKRHKNUWHBFRR-HXUWFJFHSA-N 331.456 2.817 0 50 EFAA O=C1CCC2(CCN(Cc3ncccn3)CC2)CN1C1CCCC1 91526665 LGWYYFFTHBZTGZ-UHFFFAOYSA-N 328.460 2.624 0 50 EFAA Cc1nc([C@H](C)N(C)C(=O)c2cnc3sccn3c2=O)c(C)s1 91894137 RUXNEOPNTVCOLZ-QMMMGPOBSA-N 348.453 2.663 0 50 EFAA COC(=O)c1ccc2ccn(CC[C@H]3CCCCN3C)c(=O)c2c1 95366796 QIOAFVVNFYXPSC-MRXNPFEDSA-N 328.412 2.663 0 50 EFAA COc1ccc2c(c1)cc(C(=O)N[C@H](c1nccn1C)C1CC1)n2C 91616965 OHKLJESKVUVWPR-KRWDZBQOSA-N 338.411 2.802 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)[C@@H]2CC(=O)OC23CCCCC3)c1 97610223 LFZMRUHLHBIXGF-INIZCTEOSA-N 330.428 2.923 0 50 EFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)COC)CC2)C1 91452360 SXWDYGUDDPXUQD-SFHVURJKSA-N 330.472 2.751 0 50 EFAA Cc1ncsc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 237373804 YGSHQEZPXOGTDM-LLVKDONJSA-N 339.486 2.553 0 50 EFAA CC(C)n1cnnc1-c1ccccc1NC(=O)Nc1ccn(C)n1 181979040 MGHCVZUXHGAHHM-UHFFFAOYSA-N 325.376 2.904 0 50 EFAA O=C1[C@@H](N2CCCC[C@H]2c2nccs2)CCN1CC(F)(F)F 239722413 CCRYSYXDVYDTER-QWRGUYRKSA-N 333.379 2.833 0 50 EFAA CCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95364541 AVBVQBJAOJSSMK-HNNXBMFYSA-N 327.384 2.621 0 50 EFAA CN(CCC(=O)Nc1ccsc1C(=O)O)Cc1cc(C2CC2)on1 244719053 LWBYCGKTKXLRIX-UHFFFAOYSA-N 349.412 2.772 0 50 EFAA Cc1noc(C)c1S(=O)(=O)Nc1c(C(=O)O)cccc1C(C)C 299145589 KNLFZRHNMPJCNO-UHFFFAOYSA-N 338.385 2.914 0 50 EFAA Cc1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(C)n1C 299169491 VIDGCMRYWDIWBX-UHFFFAOYSA-N 339.439 2.694 0 50 EFAA Cc1ccc(CN2CCN(Cc3nccn3C3CC3)[C@@H](C)C2=O)cc1 252490425 KTCUDWPEAVYVSO-INIZCTEOSA-N 338.455 2.759 0 50 EFAA COCc1nc(CCCN2CCCCC2=O)n(-c2cccc(C)c2)n1 824490578 MUXOBTSLWPSEBD-UHFFFAOYSA-N 342.443 2.667 0 50 EFAA CC1(C)C(CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)C1(C)C 828314946 FBMMGPKPKZSPKY-HNNXBMFYSA-N 347.434 2.690 0 50 EFAA CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)Cc1nccn1C 823082072 XHPWCFPURGYAOC-UHFFFAOYSA-N 337.427 2.949 0 50 EFAA CN(C(=O)NCc1ccc(OCC(F)(F)F)nn1)C1CCCC1 874435020 JOIJVHGRSYXYAD-UHFFFAOYSA-N 332.326 2.502 0 50 EFAA CS(=O)(=O)Nc1ccc(-c2noc(C[C@@H]3C[C@H]4C[C@H]4C3)n2)cc1 1875290738 AZJYAYPKKVKVCX-LMKPVCQUSA-N 333.413 2.697 0 50 EFAA CCc1nsc(SCC(=O)NC(=O)Nc2ccc(C)cc2)n1 1875261614 NVYWRUHIOTUEMW-UHFFFAOYSA-N 336.442 2.849 0 50 EFAA CN[C@H](CO)c1cccc(-c2ccc(Cn3ccccc3=O)cc2)c1 1875310001 XZNIQXOJQTZZHX-HXUWFJFHSA-N 334.419 2.816 0 50 EFAA Cc1ccc(-c2cc(NC(=O)[C@@H]3CCc4nncn4CC3)n[nH]2)s1 878564088 JLQQOTJYBTUACT-LLVKDONJSA-N 342.428 2.629 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 886060640 YHKRJAWXHPNWID-KDOFPFPSSA-N 347.434 2.822 0 50 EFAA COc1ccc(CNC(=O)c2cnc(C3CCNCC3)o2)cc1Cl 888097622 VHWLNEGWEZEYLP-UHFFFAOYSA-N 349.818 2.734 0 50 EFAA Cc1nc(/C=C/C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)[nH]c1C 1775998633 FNWSJVCYFYTGHO-SBDDDAINSA-N 342.418 2.916 0 50 EFAA Brc1ccc(OCCN2CCCN3CCC[C@H]3C2)cc1 249986495 IMRVUZIRLWGGES-HNNXBMFYSA-N 339.277 2.998 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2ccccc2OC)CC1 277295223 VBAFNSNFXPSQNY-AEFFLSMTSA-N 346.471 2.985 0 50 EFAA CCC(=O)N1CSC[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 170620818 CSPVQUMBWDUYNK-URZJAHPPSA-N 336.501 2.631 0 50 EFAA COCCOc1cc(NC(=O)c2c(F)ccc(F)c2F)ccn1 170600290 SDZDCJBCKUGDPO-UHFFFAOYSA-N 326.274 2.776 0 50 EFAA O=C([C@H]1CCCOC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 171027718 NSZHQAHFXYZODO-INIZCTEOSA-N 336.863 2.801 0 50 EFAA Cc1nc(Br)sc1C(=O)N[C@H]1CCOC(C)(C)C1 408518146 VPZYNXMWQPTGOI-QMMMGPOBSA-N 333.251 2.901 0 50 EFAA C[C@H]1C(=O)N(C)CCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 188478100 KTIUBELFVZWLCZ-JTQLQIEISA-N 349.843 2.766 0 50 EFAA C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 189091564 PBCMQIDCTKPZAR-GOEBONIOSA-N 331.460 2.640 0 50 EFAA Cc1cnn(CCSCc2nc(N)nc(Nc3ccccc3)n2)c1 225433592 PTSHSEDGVZNZJW-UHFFFAOYSA-N 341.444 2.636 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225678679 MKOPFUZAFISAKB-HUUCEWRRSA-N 330.359 2.948 0 50 EFAA O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CCCCO2)C1 189638579 ZZXIYRCFBMJDAJ-ZDUSSCGKSA-N 335.379 2.624 0 50 EFAA CCc1cc2c(N[C@H](C)C3(S(C)(=O)=O)CC3)nc(C)nc2s1 641592837 PSLSFWHCHSVIEX-SECBINFHSA-N 339.486 2.940 0 50 EFAA CO[C@@]1(c2nnc(COc3ccc4[nH]c(C)cc4c3F)o2)CCOC1 643649334 VNNYURNREZNMTL-KRWDZBQOSA-N 347.346 2.839 0 50 EFAA COc1cccc(CN(C)C(=O)NCc2ccc3ncccc3c2)n1 194602290 DCHCLQKYMAYBDU-UHFFFAOYSA-N 336.395 2.980 0 50 EFAA COCc1nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n[nH]1 761864433 GBNNBVAABUUWJV-UHFFFAOYSA-N 343.408 2.839 0 50 EFAA O=C(O)C[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C1CC1 794760171 CXKJUNBMCDSZCU-KRWDZBQOSA-N 345.420 2.885 0 50 EFAA CCc1cc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)on1 1704297795 XEGHDKJGHNKHRV-FOIQADDNSA-N 337.423 2.821 0 50 EFAA Cc1ccc(Cl)c(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704339608 SVPHBKIMASGHPL-SJLPKXTDSA-N 336.863 2.567 0 50 EFAA CC[C@]1(O)CCN(C(=O)c2cc(C)oc2-c2ccccc2)C[C@@H]1O 216231915 GTQJSTOWGGEOHX-LPHOPBHVSA-N 329.396 2.603 0 50 EFAA CNC[C@H]1CCCN(C(=O)NCc2ccsc2Br)C1 418151934 GGGFILFYQIJSGW-SNVBAGLBSA-N 346.294 2.652 0 50 EFAA CC1(C)CC(Nc2nnc([C@H](N)c3ccccc3)o2)CC(C)(C)N1 1772702819 JCSJHYFLVRCFKU-CQSZACIVSA-N 329.448 2.839 0 50 EFAA Cc1ccc(CSc2nc3c(N)ncnc3[nH]2)c2nsnc12 5330682 LZLWZBAGEMFMAO-UHFFFAOYSA-N 329.414 2.541 0 50 EFAA COc1cccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)c1 11690221 NMKIFDLCKCFOLR-UHFFFAOYSA-N 326.331 2.976 0 50 EFAA C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 13670782 CZMZVBOPGYWWDN-GFCCVEGCSA-N 330.409 2.650 0 50 EFAA COc1cc(CN2CCN(Cc3ccccc3)CC2)cc2c1OCO2 19606601 DYDMHOCCGYAHEG-UHFFFAOYSA-N 340.423 2.742 0 50 EFAA O=C(C1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19939840 LYHYUIYDIWJOFS-UHFFFAOYSA-N 330.428 2.640 0 50 EFAA O=C(Cc1cccs1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 219549555 RAQQJRWZCYIXIJ-KHYOSLBOSA-N 343.448 2.854 0 50 EFAA Cc1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)on1 1857696497 CYZLQIPQAKHBFO-UHFFFAOYSA-N 336.395 2.625 0 50 EFAA O=C1NCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 127622824 DENYACDHDQFXNH-UHFFFAOYSA-N 328.243 2.983 0 50 EFAA COc1c(C(=O)O)cc(-c2cccc3ccnn23)c(OC)c1OC 1875244159 BHEORLMBIPKHEH-UHFFFAOYSA-N 328.324 2.725 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1sccc1Cl 408076016 BLZAKZUVXAUOQP-NSHDSACASA-N 325.821 2.955 0 50 EFAA Cc1cc(C)cc(CCC(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)c1 643606474 FIKRULBHEVVTMN-UXHICEINSA-N 344.499 2.981 0 50 EFAA CNCCCC(=O)NC(C)(C)Cc1ccc(Br)cc1 237149889 UAVLRHSUPWTBMC-UHFFFAOYSA-N 327.266 2.886 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 237502679 YIEQZQOFRINQMX-ABAIWWIYSA-N 326.400 2.566 0 50 EFAA COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)C1 241261993 LAJIHAQJEFTYON-AWEZNQCLSA-N 344.386 2.856 0 50 EFAA Cc1nc(CNC(=O)C2(C(=O)O)CC3(CCC3)C2)nc2ccccc12 659140447 OKRQQTNQMUIYBH-UHFFFAOYSA-N 339.395 2.590 0 50 EFAA COc1ccc(Cl)c(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 345795561 HQLVQPNUZXICMH-DJIMGWMZSA-N 325.836 2.710 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348260715 ODTYXWWCQJJXFO-HOTGVXAUSA-N 345.370 2.548 0 50 EFAA CCOc1cccc(CCNC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 136886886 IXQBGCVMQIPNHK-SFHVURJKSA-N 342.443 2.908 0 50 EFAA COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 352193398 RSDAUOCUGZJCBJ-UHFFFAOYSA-N 341.772 2.848 0 50 EFAA O=C(NC[C@H]1Cc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 137219893 QSSIVPATMDKBGG-APWZRJJASA-N 338.407 2.815 0 50 EFAA CS[C@H]1CCCC[C@@H]1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 252510765 BGBSNVSPRNOEIE-AQBKWJQSSA-N 325.522 2.975 0 50 EFAA COc1cc(-c2noc(CN3CCCC[C@@H](CO)C3)n2)ccc1C 370908973 LDITWYCNHJLBOB-CQSZACIVSA-N 331.416 2.648 0 50 EFAA O[C@@H](COCc1ccccc1)CN1CCN(c2ccc(F)cc2)CC1 19720430 YYYAPPYXGCPAPW-HXUWFJFHSA-N 344.430 2.525 0 50 EFAA CC1(C)CCCC[C@H]1NCc1cn(CC(F)(F)F)c(=O)nc1O 903237669 MMHWNESIZATZDV-LLVKDONJSA-N 333.354 2.570 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2NC(=O)c2cc(-c3ccccc3)ccn2)cn1 823265300 HQHGNXXETMLZLY-MJGOQNOKSA-N 348.406 2.742 0 50 EFAA O=C(NC[C@H]1CCCN1CC(F)(F)F)Nc1ccc2c(n1)CCC2 931676338 VYFZLFDWULXBGS-GFCCVEGCSA-N 342.365 2.719 0 50 EFAA COc1nccc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)n1 931901041 HLKIGRAOMFBYNV-LBPRGKRZSA-N 325.290 2.861 0 50 EFAA C[C@H](N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ncn(C)n1 400911912 FVWSBHUPKUIKQE-BYNSBNAKSA-N 349.479 2.501 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1OC 37913314 HQTYYYRTQCRYNM-UHFFFAOYSA-N 326.396 2.666 0 50 EFAA biogenic,in-vitro CN1CC[C@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 245289959 GHJGJNAKFFGJMB-MLGOLLRUSA-N 348.809 2.692 0 50 EFAA CCc1cccc(C)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12 85451 MDPNABWBZJMYEW-UHFFFAOYSA-N 335.407 2.986 0 50 EFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1 2501670 NCBNKPXGPUILPZ-MRXNPFEDSA-N 346.180 2.862 0 50 EFAA O=C(c1cc2ccccc2cn1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356136307 OREHMXQTOINSDU-OAQYLSRUSA-N 349.434 2.994 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc3ccccc3s2)CC[C@H]1O 2356141878 UGEIQZKDDCQRNC-CRAIPNDOSA-N 347.436 2.979 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCC3CCC3)C1)CC2 2356142888 MCQRNTXYBQWMRL-FQEVSTJZSA-N 342.487 2.929 0 50 EFAA O=C(CN1CCOc2ccccc2C1)N1CCc2ccccc2CC1 2356147553 BOFLJLUSSDSEEY-UHFFFAOYSA-N 336.435 2.508 0 50 EFAA CCOC(=O)N1CCC(N2CC3(COc4ccccc4C3)C2)CC1 2356147612 FHZDMFNWBBUULV-UHFFFAOYSA-N 330.428 2.544 0 50 EFAA COc1ccc(-c2noc(CN(C)C(=O)NC(C)(C)C)n2)cc1OC 7781879 FTPZDIHDAGPHDE-UHFFFAOYSA-N 348.403 2.694 0 50 EFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Oc1ccc2ccccc2c1 100748957 AUNDLLMWDDFCML-LNMJFAINSA-N 349.386 2.776 0 50 EFAA COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 20230758 FVMXNXMOUWFRMQ-UHFFFAOYSA-N 334.416 2.526 0 50 EFAA COc1ccccc1-n1nc(CC(C)C)nc1CCc1cnn(C)c1 65493959 MPYQOVKENVUCEG-UHFFFAOYSA-N 339.443 2.993 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc(C(N)=O)cc1 136987555 OXZGBJFHVUOUHU-MRXNPFEDSA-N 338.407 2.644 0 50 EFAA Cc1ccccc1[C@]1(O)CCN(Cc2cnc(-c3ccccn3)nc2)C1 67847156 YSOFLCHHZVMLQR-NRFANRHFSA-N 346.434 2.941 0 50 EFAA COc1cccc(COC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1 229105078 AJIPZNIXQABFPX-HUUCEWRRSA-N 347.377 2.847 0 50 EFAA Cc1cccc(OC2CN(c3ncc(C)c(-c4ccnn4C)n3)C2)c1 23541094 CXAGTGCJFUOAFT-UHFFFAOYSA-N 335.411 2.762 0 50 EFAA COc1ccc(NC(=O)NC[C@@H]2CCCN(C(C)C)C2)cc1OC 67982142 VVOPPASAMUPBKM-AWEZNQCLSA-N 335.448 2.946 0 50 EFAA CCc1nc(CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)sc1C 230102048 RJIQHTDMPRRBGF-NWANDNLSSA-N 337.489 2.813 0 50 EFAA Cc1ccccc1NC(=O)CCNC(=O)c1ccc2cccnc2n1 67871393 ZUPZLZPMCHOIIU-UHFFFAOYSA-N 334.379 2.697 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnn3ccccc23)cn1 328655967 YWFKHZWZJATHLK-FUHWJXTLSA-N 325.416 2.561 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3cc(C)c(F)cc3Cl)CCO2)o1 328610308 HGVMSXNOJUQFSD-ZDUSSCGKSA-N 339.754 2.693 0 50 EFAA CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1 2516873 DHWRNDJOGMTCPB-UHFFFAOYSA-N 338.795 2.870 0 50 EFAA biogenic,in-vitro CO[C@H](C(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccccc1 174094651 PPTBBWUQAHADRH-KRWDZBQOSA-N 339.395 2.933 0 50 EFAA CN1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)Cc2ccccc21 253429314 QOIMJFJJXGWCSS-DEOSSOPVSA-N 343.452 2.908 0 50 EFAA COc1ccc(CN(C)[C@@H]2CCCC[C@@H]2O)cc1Cn1cccn1 216131093 DGERLRJBDRZYEV-MSOLQXFVSA-N 329.444 2.675 0 50 EFAA O=C([C@H](O)c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 72424654 HPCGZLKPHQFQGC-GOSISDBHSA-N 329.371 2.929 0 50 EFAA CC1(C)Cc2cc(CN3CCC[C@]4(CC3)CNC(=O)O4)ccc2O1 215737788 CXNGPKNMGMGMEU-IBGZPJMESA-N 330.428 2.865 0 50 EFAA CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CN(C)Cc2ccccc21 360698945 MUVGMSUZUNVJAD-AWEZNQCLSA-N 332.835 2.552 0 50 EFAA CSCC[C@H](O)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 215176115 GLACVRMSOWFWEY-KRWDZBQOSA-N 347.484 2.562 0 50 EFAA C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@@H]1CCC(=O)N1 363714090 ZIWCZWRXVCLBFY-MFMILTCTSA-N 348.446 2.870 0 50 EFAA COc1ccncc1CNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 333361802 HJZLPAAVLGLMFT-QGZVFWFLSA-N 345.443 2.581 0 50 EFAA CC1=NN(c2ccc(C(=O)N(C[C@H]3CCOC3)C3CC3)cc2)CC1 128652181 COBFSFWQPNCCKL-OAHLLOKOSA-N 327.428 2.914 0 50 EFAA Cc1oc(C(=O)O)cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 237667885 KNBBPGXKVKSHFK-HNNXBMFYSA-N 335.381 2.716 0 50 EFAA CCOc1ccc(N(Cc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1 39315706 FVMKQMJFPAOCFV-UHFFFAOYSA-N 349.408 2.750 0 50 EFAA CC(C)CN1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@@H](C)C1=O 77320685 UZOBIRBLXHGSRW-LBPRGKRZSA-N 340.826 2.737 0 50 EFAA O=C(NC1(C(=O)O)CCCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 237956257 DJYHBWLQVAJHOB-OAHLLOKOSA-N 348.374 2.613 0 50 EFAA Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)cc1 72437417 AHFFKBRPNQRVJE-UHFFFAOYSA-N 340.431 2.619 0 50 EFAA Cn1cnnc1C1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72458225 HGRGQZOZSVYKFP-UHFFFAOYSA-N 342.487 2.898 0 50 EFAA Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@H]2CC=CC[C@H]2C1 72153439 WQTKPHGMSUBERN-TXEJJXNPSA-N 335.454 2.586 0 50 EFAA COc1ccc2c(c1)[C@H](NC(=O)c1noc(C)c1CO)CC(C)(C)O2 71523642 UNYRXZMQQBHIIG-CQSZACIVSA-N 346.383 2.516 0 50 EFAA Cn1ncc2c(C(=O)Nc3nc4ccccc4n3C)cc(C3CC3)nc21 13640663 WVSIYFVJAQNQTR-UHFFFAOYSA-N 346.394 2.985 0 50 EFAA OCc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)o1 240465978 GBVSXVMPBMJXET-UHFFFAOYSA-N 329.322 2.824 0 50 EFAA O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[C@H]1c1nc[nH]n1 241121895 JEPNCPPFLOXYGM-CVEARBPZSA-N 349.394 2.563 0 50 EFAA Cc1ccc(N2CCCN(C[C@@H](O)c3cccc(Cl)c3)CC2)nn1 241965590 UUBOMLXYRVQIGG-QGZVFWFLSA-N 346.862 2.684 0 50 EFAA CN(Cc1cnc(NCc2ccccc2)nc1)[C@@H]1CCCC[C@@H]1O 215916230 VTXSGQFMZFVTSC-MSOLQXFVSA-N 326.444 2.824 0 50 EFAA CN1CCN(C[C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 216075770 NJEFHWMGFHLGOF-MRXNPFEDSA-N 339.886 2.939 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1coc2ccccc12 219647091 AUTRYKAILLOKRI-NVXWUHKLSA-N 338.363 2.794 0 50 EFAA CC(C)(C)c1n[nH]c(CNC(=O)Cc2ccccc2C(F)(F)F)n1 458020941 KMKOZHSYNPYJME-UHFFFAOYSA-N 340.349 2.980 0 50 EFAA Cn1ncnc1CNc1cc(Cl)ccc1C(=O)N1CCCCC1 176452682 YAYPCJWOWMILHD-UHFFFAOYSA-N 333.823 2.707 0 50 EFAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263565601 FPCHQAFBIGGBKJ-PBHICJAKSA-N 332.444 2.902 0 50 EFAA Cc1cccc2nc(N3CCC[C@H](N(C)CC(=O)O)CC3)sc12 263537457 AHNARHNIXWVNHU-ZDUSSCGKSA-N 333.457 2.980 0 50 EFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCO[C@@H]1CCCC[C@H]1C 177424266 NWJMZTILCMGTQE-IUODEOHRSA-N 346.431 2.709 0 50 EFAA CSc1nc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cs1 426602424 JBZZTFFAWNTCCB-UHFFFAOYSA-N 349.481 2.692 0 50 EFAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCc3cn[nH]c3)nc2c1 292065274 HTHZCVQIWMPCFH-INIZCTEOSA-N 338.415 2.684 0 50 EFAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 426487980 JVUYYYBQULSDFW-MRXNPFEDSA-N 339.395 2.514 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H]1Cc2cc(Cl)ccc2N1 222416971 NYIHMQXFTOPEIB-HNNXBMFYSA-N 330.819 2.547 0 50 EFAA Cc1nn(CC(N)=O)c(C)c1-c1ccc([C@H](C)N2CCCC2)cc1 426624715 CYQZGHWQVRRUSH-AWEZNQCLSA-N 326.444 2.809 0 50 EFAA Cc1cc(-c2ccc(C(=O)N3CCN(C)C(=O)C3)cc2)ccc1F 426685436 SYFOPHPMRRCITK-UHFFFAOYSA-N 326.371 2.715 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)o1 82135820 JDFSOSHMYRXGEC-OAHLLOKOSA-N 329.400 2.762 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2cncn2C)cc1 426534357 CJUYNCJRHWTRPI-UHFFFAOYSA-N 337.427 2.790 0 50 EFAA CCOc1cc(CN2CCN3CCC[C@@H]3C2)ccc1OC(F)F 179550356 JWIJVHWOOYZWMF-CQSZACIVSA-N 326.387 2.967 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3COc4ccccc4C3)[nH]n2)o1 95528779 LWJFEPRLKRWHDN-ZDUSSCGKSA-N 337.379 2.959 0 50 EFAA O=C1CC[C@@H](C(=O)N2CCCC2)CN1CCc1ccc(Cl)cc1 91304975 GTPJVIPEVWZRIM-OAHLLOKOSA-N 334.847 2.744 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2cc(Cl)ccc2C)C[C@H]1C 91519079 RGMCPMUOJIAGPT-CXAGYDPISA-N 325.836 2.898 0 50 EFAA Cc1[nH]ccc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91390648 UHFHEUKVAHSCRA-UHFFFAOYSA-N 349.438 2.983 0 50 EFAA COc1ccc2c(C)c(C(=O)N3CCC4(CC3)COC(=O)O4)oc2c1 91624892 AIIZGVDNGCBSMB-UHFFFAOYSA-N 345.351 2.891 0 50 EFAA Cc1ccccc1CSc1nc(N)cc(N2CCC[C@@H](O)C2)n1 95388916 IFPUBHCHRUEQSR-CQSZACIVSA-N 330.457 2.621 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)c2occc2COc2ccccc2)C1 237655331 BEFPXSVXCIKLKM-GOSISDBHSA-N 329.352 2.795 0 50 EFAA C[C@]1(O)CCN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H]1O 97301378 NWUIREHSZUGLHN-FPOVZHCZSA-N 339.435 2.553 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95508876 DLQXVFWTYUSBOQ-QGZVFWFLSA-N 349.438 2.685 0 50 EFAA OCc1nc2ccccc2n1CCc1ncnn1C1CCCCC1 91254650 RCRXREWUIMMPDF-UHFFFAOYSA-N 325.416 2.868 0 50 EFAA O[C@H]1C[C@@H]([C@H](Nc2noc(C3CC3)n2)c2ccc3c(c2)CCO3)C1 244719037 LVTWCDTYKGUEOE-IJEWVQPXSA-N 327.384 2.806 0 50 EFAA Cc1cc(C)n(CCC(=O)N[C@H]2CCCN(Cc3cccs3)C2)n1 244873493 WRGKZPOKIVDXMN-INIZCTEOSA-N 346.500 2.732 0 50 EFAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(CCOC1)O2 242687650 UMRJYIFXXDLEKW-VLPZOFFVSA-N 338.488 2.900 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 299778408 OWYBJKWVSGFZPD-HNNXBMFYSA-N 339.443 2.963 0 50 EFAA COc1ccccc1Cc1nc(CN2CCCC2=O)n(C(C)(C)C)n1 824821905 VVGLTAMACPGZSH-UHFFFAOYSA-N 342.443 2.755 0 50 EFAA CC(C)c1nnc(NC[C@@H](c2ccccn2)N2CCOCC2)s1 670447986 VTEUCVIMLWDKOG-AWEZNQCLSA-N 333.461 2.542 0 50 EFAA COc1ccc([C@H](N)Cc2ncnn2-c2cccc(C)c2)cc1OC 670474089 IEWZOGZAMXECGS-MRXNPFEDSA-N 338.411 2.835 0 50 EFAA CS[C@@H](C)Cc1nc(-c2cc(N)ncc2Br)no1 685942519 WAFVCDSZGITPEM-LURJTMIESA-N 329.223 2.770 0 50 EFAA C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)[C@H]1CN(C)CCN1C 952993436 HDFOYAOUSGDJAD-CKEIUWERSA-N 343.437 2.860 0 50 EFAA CC(C)COC1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875288865 HPUMVGDPISKPEQ-QWHCGFSZSA-N 335.448 2.709 0 50 EFAA Cc1ccc2nc(COC(=O)c3cc4cnccc4o3)cc(=O)n2c1 1875260688 UUSISGMVECWWSY-UHFFFAOYSA-N 335.319 2.501 0 50 EFAA Cc1ccc(-c2ccnn2C)cc1N1C(=O)N2CC[C@@H]3CC[C@@]32C1=O 1875283142 HNWMPJWERKMRMQ-LIRRHRJNSA-N 336.395 2.717 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc3c(c2)OC(C)(C)CC3)cn1 1875378436 DAALFQAWDLZEQT-KSFYIVLOSA-N 327.428 2.787 0 50 EFAA O=C(N[C@H]1CCC[C@H](C(=O)O)C1)c1cc(C(F)(F)F)nn1C1CC1 1875303566 DNUSUXATIHSFRM-IUCAKERBSA-N 345.321 2.610 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2cccnc2SC)cc1C 952967054 ABEYOUYSJPKBAG-UHFFFAOYSA-N 345.424 2.949 0 50 EFAA Cc1cc(C)c(C)c(OCCN(C)C(=O)[C@@H](C)Cn2cccn2)c1 952988425 RIHQDHMDMLCDSO-INIZCTEOSA-N 329.444 2.982 0 50 EFAA C[C@@H](Oc1ccc(CNCc2ccc3nsnc3c2)cc1)C(=O)O 952978007 JRKWKLISFNOHHC-LLVKDONJSA-N 343.408 2.833 0 50 EFAA CN(CCO)C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 892370288 PNERGHQNFDVVAY-UHFFFAOYSA-N 346.862 2.690 0 50 EFAA O=C(CO[C@@H]1CCOC1)NCc1ccc(OCc2ccccc2)cc1 1776002492 PKAGJCWOHFNMLV-LJQANCHMSA-N 341.407 2.687 0 50 EFAA CCc1onc(C)c1CS(=O)(=O)C[C@H]1OCCc2ccccc21 899506251 UZDUTMNXOAHHDR-QGZVFWFLSA-N 335.425 2.774 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(c1ncncc1C(C)C)C2 1565525178 FVYTVMSEQWORJQ-CVEARBPZSA-N 328.460 2.993 0 50 EFAA CCO[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)[C@]12CCCO2 272632494 BCFYUXNLVWBTEX-NJDAHSKKSA-N 344.499 2.967 0 50 EFAA COc1ccc(Cl)cc1NCCC(=O)N1CC[C@H](O)C[C@H]1C 170090127 WHOQQSCXXSNTID-YPMHNXCESA-N 326.824 2.522 0 50 EFAA C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cc([C@@H]3CCCO3)nn2C)[nH]n1 278925030 HOQOLFQLYQMBHO-BREBYQMCSA-N 330.392 2.762 0 50 EFAA COc1cncc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1 281896890 OAVNTPVFLRJNFC-UHFFFAOYSA-N 340.351 2.510 0 50 EFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(C)c(=O)c1 187045411 BOHAZJVZQDNGDL-WBMJQRKESA-N 346.814 2.641 0 50 EFAA COCc1cccc(CC(=O)N2CCC(O)(c3ccccc3)CC2)c1 188255353 VUXWWFGQAZTQTC-UHFFFAOYSA-N 339.435 2.886 0 50 EFAA CO[C@@H](C1CC1)[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 408520739 VEFGNOKTXPYUCK-MEDUHNTESA-N 331.441 2.677 0 50 EFAA Cc1ccccc1NC1(CNC(=O)C[C@H]2COC(=O)C2)CCCC1 408521933 AMZIQGFKWCJGGG-OAHLLOKOSA-N 330.428 2.789 0 50 EFAA CCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H](c2nc(C)no2)C1 222133093 BOUGYCCGAUGNIY-ZIAGYGMSSA-N 347.419 2.661 0 50 EFAA COCc1ccccc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 188851013 ONWRTXMLDVMHPI-ZDUSSCGKSA-N 328.416 2.765 0 50 EFAA O=S(=O)(Cc1cn2cccnc2n1)c1ccc(C(F)(F)F)cc1 225445531 YWZFOCBYGIZBOM-UHFFFAOYSA-N 341.314 2.722 0 50 EFAA COc1ccc2c(c1)[C@H](NC[C@H](c1cnn(C)c1)N(C)C)CCS2 191516015 QZMIBUFCEOHDEK-IAGOWNOFSA-N 346.500 2.858 0 50 EFAA CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccoc2Cl)c1 192317849 LWAWVKWIJCDNSI-UHFFFAOYSA-N 346.767 2.575 0 50 EFAA Cc1ccc(CC(=O)N2CCN(C(=O)c3ccoc3Cl)CC2)cc1 192300559 AUUFXDRIEAJDLE-UHFFFAOYSA-N 346.814 2.769 0 50 EFAA O=C(O)c1ccc(N2CCC(N3CCc4cc(F)ccc43)CC2)nc1 647454354 MFUAXHYKLZGXCY-UHFFFAOYSA-N 341.386 2.950 0 50 EFAA CC[C@@H](C)Oc1cc(CNC(=O)c2ccn(CC(F)F)n2)ccn1 194460783 ADTWKWOFGITHHP-LLVKDONJSA-N 338.358 2.651 0 50 EFAA COc1ccc(S(=O)(=O)Cc2nc(-c3cccs3)n[nH]2)cc1 195004107 GFNJJBMAQCGZEI-UHFFFAOYSA-N 335.410 2.516 0 50 EFAA O=C1[C@H](NC(=O)N2CCC[C@@H]2CC2CCCC2)C[C@@H]2CCCCN12 654588652 HCSPFLHDTIPLNB-IXDOHACOSA-N 333.476 2.894 0 50 EFAA CCc1nn(C)c(NC(=O)CCc2nc3ccc(F)cc3[nH]2)c1C 1529101270 BDNBCNZFISBHJQ-UHFFFAOYSA-N 329.379 2.878 0 50 EFAA O=C(CCc1ccccc1F)N[C@H]1COC[C@H]1Cc1ccncc1 1529158813 NGNOTUNCFCIEOE-AEFFLSMTSA-N 328.387 2.527 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc4c(c3)ncn4C)C[C@H]2C1 1529158981 LVXIBWBVRKOWEG-WNKDZCFJSA-N 340.471 2.764 0 50 EFAA Cc1nnc([C@@H]2COCCN2Cc2cscc2Br)o1 408524372 SVNJCMSTKLQGFQ-NSHDSACASA-N 344.234 2.776 0 50 EFAA CCOCC(=O)N1CCCN(C(=O)c2cc3ccccc3s2)CC1 1492028700 NONHYUUKWYJEFO-UHFFFAOYSA-N 346.452 2.612 0 50 EFAA COc1ccc(O)cc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772805810 SRUBPPKAQUSSPE-UHFFFAOYSA-N 335.363 2.539 0 50 EFAA Cc1cc(C)cc(N2CCC(N3C[C@H]4CCCN4C(=O)[C@H]3C)CC2)c1 1772704216 PRBAPUXZEZJTEM-IEBWSBKVSA-N 341.499 2.967 0 50 EFAA CNCc1nnc(NCC[C@@H]2CCCCN2Cc2ccccc2)o1 1772703311 WOWMNCSJIIVPAC-INIZCTEOSA-N 329.448 2.646 0 50 EFAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccccc1C(F)(F)F 5049033 BAYVVEIEEWHMJE-KDJDZTMPSA-N 325.286 2.842 0 50 EFAA CCCN1CCC(N2CCO[C@H](Cc3cccc(OC)c3)C2)CC1 11844019 CFFZZMLKZKREGV-HXUWFJFHSA-N 332.488 2.813 0 50 EFAA COCCNC(=O)CCC1CCN([C@H](C)COc2ccccc2)CC1 12708802 GWGHNSJHTRUGDZ-QGZVFWFLSA-N 348.487 2.709 0 50 EFAA CCCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C 13447513 VNLZTPINKMHMPX-VVLHAWIVSA-N 331.412 2.648 0 50 EFAA CCCCOCCCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 16652426 ALMAHFOSDYMQKM-UHFFFAOYSA-N 326.481 2.594 0 50 EFAA O=c1c2cnc3ncnn3c2ccn1-c1ccc(Cl)c(Cl)c1 19959773 NJGWCOURLMYFDB-UHFFFAOYSA-N 332.150 2.735 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=O)CNC(=O)CC1CCCCC1 120207838 JZPAFTPMXOSFCI-UHFFFAOYSA-N 332.400 2.718 0 50 EFAA CCC(CC)N1C[C@H](C(=O)N(C)c2nc3ccccc3o2)CC1=O 109204096 IKYOPIMVJZBPFJ-GFCCVEGCSA-N 329.400 2.828 0 50 EFAA COc1ccc(C2(CNC(=O)CC3(OC)CCC3)CCOCC2)cc1 240786069 HZZMLYYXMSOPEX-UHFFFAOYSA-N 347.455 2.819 0 50 EFAA CC(=O)NC1CCC(N[C@@H](CO)c2ccc(Cl)c(F)c2)CC1 133346472 FNGWTHULAVIKIM-ZUEPYMLJSA-N 328.815 2.549 0 50 EFAA Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)[nH]n1 252505121 VORVEENDIOVVFW-UHFFFAOYSA-N 338.770 2.600 0 50 EFAA COc1ccc(Cl)c(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 253396897 REECWUATWXOGKX-DJIMGWMZSA-N 325.836 2.710 0 50 EFAA Cc1ncc(CN2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 253419932 SYWVYLUYTKRSJE-BXKDBHETSA-N 335.395 2.731 0 50 EFAA C[C@](NC(=O)[C@@H]1CCCOC1)(C(=O)O)c1ccc(Cl)c(Cl)c1 263065783 QXHAYACBABZXTE-RFAUZJTJSA-N 346.210 2.836 0 50 EFAA O=C(NC[C@H]1COc2ccccc2O1)c1cccc2ncsc12 1866042935 VJHXVBNRJSBVKU-NSHDSACASA-N 326.377 2.866 0 50 EFAA COCc1ccccc1C(=O)N1CCc2c(cccc2C(=O)O)C1 392519971 VCDBTOFLTBZFQJ-UHFFFAOYSA-N 325.364 2.730 0 50 EFAA COc1ccc(-c2cncc(C(=O)N3CCC[C@@H]3C(=O)O)c2)c(C)c1 901444598 YXKFLKGFSSLQKX-QGZVFWFLSA-N 340.379 2.755 0 50 EFAA COc1c(Cl)cccc1-c1noc([C@H](C)CS(C)(=O)=O)n1 904180875 GQNDAZSEBYPJOL-MRVPVSSYSA-N 330.793 2.547 0 50 EFAA O=C(NCc1c(C(=O)O)oc2ccccc12)c1cnn(C2CCC2)c1 907588450 LAFAAJNXBPSFPR-UHFFFAOYSA-N 339.351 2.983 0 50 EFAA CN(Cc1nccn1CC(F)(F)F)C[C@@]1(O)CCc2ccccc21 829338596 XDDLIYPOCSEMIK-INIZCTEOSA-N 339.361 2.711 0 50 EFAA Cc1cnc(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)nc1 933637430 KXGZFJDSBLCRLE-INIZCTEOSA-N 344.846 2.833 0 50 EFAA C=CC(=O)N(C)CC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 861836341 GBCCTAXORAACLE-GXFFZTMASA-N 341.238 2.858 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C(=O)O)c1 263350194 PGYNCHJOLZMBLB-KSSFIOAISA-N 338.407 2.635 0 50 EFAA COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@H](CC(N)=O)C1CCCCC1 859828605 CGXCLYLPQNOKTB-ZWKOTPCHSA-N 344.455 2.666 0 50 EFAA CN1CCC[C@H](CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)[C@H]1c1ccccc1 245344089 XIOXWQWCUUAPLK-UJWQCDCRSA-N 343.471 2.689 0 50 EFAA COc1cc(OC)c(CN2CCCC[C@H]2CO)cc1Br 211163 OHYAVBVYCAPWGB-LBPRGKRZSA-N 344.249 2.813 0 50 EFAA CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 6703612 JYVDZHPZGIBZAB-INIZCTEOSA-N 332.425 2.628 0 50 EFAA COC[C@H](NC(=O)NCC1(C)CCNCC1)c1cccc(Cl)c1 418206395 AYJGMSZUBPPRLS-HNNXBMFYSA-N 339.867 2.716 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CC[C@H]2CCCCN2C)CC1 65382041 VPMVEXRKQBTVEY-GOSISDBHSA-N 329.488 2.908 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H]1Cn1cccn1 65381508 CBGJCSINPZNRPZ-MRXNPFEDSA-N 329.448 2.603 0 50 EFAA COc1cc2c(cc1OC)C[C@H](O)c1cc(OC)c(OC)cc1C2 22064574 WIYMAFIQWXSJMQ-HNNXBMFYSA-N 330.380 2.901 0 50 EFAA C[C@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccnn1C 421432931 PMKPFRRZZUHYCQ-JTQLQIEISA-N 327.306 2.739 0 50 EFAA CN1CCC(C(=O)N2CCC[C@H](N(C)C)CC2)(c2ccccc2)CC1 72428213 NBHHQKQGIRXRTQ-IBGZPJMESA-N 343.515 2.593 0 50 EFAA COCCc1nc(CN[C@H](C)c2ccc(OC(C)C)c(OC)c2)no1 351572596 FKUBLPGZWPLHGO-CYBMUJFWSA-N 349.431 2.905 0 50 EFAA CC[C@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1[nH]nc2c1CCC2 67866864 RJBFQSGKPRIYMZ-INIZCTEOSA-N 342.443 2.756 0 50 EFAA Cn1cc(-c2csc(CNc3ccn(CC(F)(F)F)n3)n2)cn1 252569014 VTYNUGKDLOZKFW-UHFFFAOYSA-N 342.350 2.915 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)NCc2cnn3ccccc23)c1 72454236 RBMDIMSREPWELP-UHFFFAOYSA-N 337.423 2.968 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 229898779 NZXKQYJHZNUOBJ-NXHRZFHOSA-N 344.430 2.790 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@@H](CCN)C3)c(C)o2)cc1 67675366 KTVJPKDALYGDGK-HNNXBMFYSA-N 347.484 2.922 0 50 EFAA Cc1cccnc1N1CCN(C(=O)[C@H](C)n2ccnc2C(C)C)CC1 67818629 ODOLAHYQJJVANM-INIZCTEOSA-N 341.459 2.620 0 50 EFAA Cc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3 67724589 ODEYSJVJBORHFP-AWEZNQCLSA-N 338.455 2.909 0 50 EFAA O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCN1C(=O)C1CCCCC1 67673033 SLWVSHIKKCKFDM-HNNXBMFYSA-N 344.459 2.729 0 50 EFAA COc1cc([C@@H](N)CC(=O)O)ccc1OCc1cnc(Cl)s1 5702262 ZHJHJKWOHLTZEQ-JTQLQIEISA-N 342.804 2.859 0 50 EFAA Oc1nc2ccccc2cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 364964272 WRUKYBQVYNEGQV-QGZVFWFLSA-N 338.411 2.609 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1C 122304893 XBNWDUXHKUHGTB-UHFFFAOYSA-N 343.427 2.674 0 50 EFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@H]1CCCOC1 328621125 AGNQPOSBJJPGNZ-KKUMJFAQSA-N 340.464 2.546 0 50 EFAA COCCC(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C 14949688 FMMOHFYYNIUNFE-CYBMUJFWSA-N 334.464 2.768 0 50 EFAA COCCN1CC[C@@H](CN(C)c2cc(C(C)C)nc3cc(C)nn23)C1 72477359 DLCCDFVJUKVRNI-INIZCTEOSA-N 345.491 2.566 0 50 EFAA Cc1ccccc1CN1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 72476737 DUKBIPDLUSKQMA-LJQANCHMSA-N 342.414 2.512 0 50 EFAA COc1cccc(-c2ncc(CNC(=O)[C@H]3CC[C@@H](N)C3)s2)c1 72420218 QHUATTALSGCRLT-WCQYABFASA-N 331.441 2.562 0 50 EFAA CN(Cc1cnc(-c2ccccn2)nc1)Cc1ccc2c(c1)OCO2 218999766 RFVJUHUZBYWTNC-UHFFFAOYSA-N 334.379 2.899 0 50 EFAA O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccccc1COC1CCOCC1 127468701 PGYFFGZALOSCDW-NVXWUHKLSA-N 347.455 2.663 0 50 EFAA CNC(=O)[C@@H]1CCN(Cc2nc(-c3ccc(SC)cc3)oc2C)C1 71759852 BDFNPUVJQPXBMK-CQSZACIVSA-N 345.468 2.940 0 50 EFAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](N(C)C)CC1 72156828 DBWNYOLSONDZPQ-MRXNPFEDSA-N 328.460 2.678 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 237970004 CSAGGTBETKMMEG-HNNXBMFYSA-N 341.411 2.648 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 187080635 VXNLENQSKDLQPU-IBGZPJMESA-N 345.418 2.680 0 50 EFAA Cc1nc(O)cc(C2CCN(Cc3ccc4nsnc4c3)CC2)n1 72137194 UHPIVTKRZUSJPD-UHFFFAOYSA-N 341.440 2.875 0 50 EFAA CN(C)c1nc2c(c(N3CCC[C@H](c4ncc[nH]4)C3)n1)CCCC2 77301031 ABMVFKJAJYUSSZ-ZDUSSCGKSA-N 326.448 2.529 0 50 EFAA O=S(=O)(NC[C@H](O)c1cccc(F)c1)c1ccc(Cl)s1 160035086 JFYXMZDNJUOUIL-JTQLQIEISA-N 335.809 2.553 0 50 EFAA Fc1cccc([C@@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72161087 OOJNUOXCDBNCEB-BMGDILEWSA-N 342.393 2.821 0 50 EFAA CCn1c(C)cc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)c1C 287008397 TYOWMZWJPGVBGZ-QGZVFWFLSA-N 344.459 2.756 0 50 EFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2cccn2C(C)C)n1 289147426 PYRMWQJVYGDRTE-CYBMUJFWSA-N 331.420 2.701 0 50 EFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](C)C3)c2C(N)=O)C1 225854586 ZYRSRFHIGIHVNK-VXGBXAGGSA-N 349.500 2.642 0 50 EFAA O=C(C[C@@H]1CCCOC1)NC1CCN(Cc2ccc(F)cc2)CC1 192788547 DAIBXVRCUAPWGX-INIZCTEOSA-N 334.435 2.723 0 50 EFAA O=C(NCc1ccco1)N1CCC[C@H](c2nccn2CC2CC2)C1 82156842 WDSQQZWKVBUSLM-HNNXBMFYSA-N 328.416 2.975 0 50 EFAA Cc1ccc(N2CCN(C(=O)COc3ccccc3C)CC2=O)cc1 82167080 NDVZVWANYRFFBW-UHFFFAOYSA-N 338.407 2.558 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)cc1Cl 426472991 UOLXKDFVXNFHKO-MRXNPFEDSA-N 333.815 2.741 0 50 EFAA CCn1cc(CN(C)C(=O)c2cccc(-c3ccc(C)nn3)c2)cn1 426398967 CPDJMNCLOYUIBF-UHFFFAOYSA-N 335.411 2.941 0 50 EFAA CC[C@@H]1c2cccn2CCN1C(=O)c1cn2cc(Cl)cnc2n1 82100276 MEFZOCRJHFPIGX-CYBMUJFWSA-N 329.791 2.791 0 50 EFAA O=C(COCc1ccccc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 180101520 IIPHULHUFPXLEF-YJBOKZPZSA-N 347.361 2.816 0 50 EFAA CN(C(=O)[C@H](c1cccnc1)N1CCCC1)C1Cc2ccccc2C1 95529637 MINROTBXHUHZOL-FQEVSTJZSA-N 335.451 2.844 0 50 EFAA Cn1c(=O)cc(C(=O)N[C@H]2COC3(CCCCC3)C2)c2ccccc21 426512177 OEYPROGNISELCI-CQSZACIVSA-N 340.423 2.760 0 50 EFAA Cc1ccc(CN2CCN(Cc3[nH]nc(C)c3Cl)[C@H](C)C2=O)cc1 97553426 TWLZLNCNCHMBRM-CQSZACIVSA-N 346.862 2.913 0 50 EFAA O=C(NCCSc1ccccn1)[C@@H]1CCCN(C2CCCC2)C1 95370308 MDPCDVAOEDDLIC-OAHLLOKOSA-N 333.501 2.945 0 50 EFAA Cc1cc(NC(=O)[C@H]2CC23CCNCC3)ccc1OC1CCOCC1 237820107 LLSDKMYFFYIDCL-QGZVFWFLSA-N 344.455 2.881 0 50 EFAA CN(C(=O)c1cccc(-n2cnnc2)n1)[C@H]1CCCc2ccccc21 97527310 BKTRNUXNRKPALE-KRWDZBQOSA-N 333.395 2.812 0 50 EFAA CN(C)c1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1 91987440 YIDBMQCNJGORRH-ZWKOTPCHSA-N 338.407 2.693 0 50 EFAA COc1ccccc1[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1C(=O)O 91452743 GCOSAFBQXJFOJC-JKSUJKDBSA-N 330.384 2.600 0 50 EFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCc1n[nH]c2c1CCCC2 244626851 FTTVCPJBJVAHKO-OAHLLOKOSA-N 339.439 2.683 0 50 EFAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H](O)c1ccccc1 299746468 XPMLZLSTOGPLIX-JQHSSLGASA-N 329.371 2.753 0 50 EFAA CC[C@@H](NC(=O)C(C)(C)Oc1cccc(C)c1C)c1ncnn1C 534667906 XZFVCAASEPLZRV-CQSZACIVSA-N 330.432 2.857 0 50 EFAA O=C(c1cccc(-c2cncnc2)c1)N1CCC(N2CCCC2)CC1 299782858 UEGXTLIDVBEDMI-UHFFFAOYSA-N 336.439 2.844 0 50 EFAA CC1CCN(Cc2ccc(C(=O)N[C@@H](C)Cc3cnccn3)o2)CC1 299795591 MJANKEGTKOUVEL-HNNXBMFYSA-N 342.443 2.663 0 50 EFAA CCCn1cc(NC(=O)NCc2cc3c(cc2OC)CCC3)nn1 299767423 KVIITMGCGNSWJX-UHFFFAOYSA-N 329.404 2.507 0 50 EFAA CCCc1cc(CNC(=O)c2cnc(N)nc2-c2ccccc2)on1 823020303 SQZLIWRJMIAMLL-UHFFFAOYSA-N 337.383 2.596 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c(C)c1 822535015 PZSCHSFEAYSUIR-AWEZNQCLSA-N 345.443 2.787 0 50 EFAA Cc1nccc(C2CCN(C(=O)NCC[C@@H](C)N3CCCC3)CC2)n1 584886341 SVSYYXBRNDLDGW-OAHLLOKOSA-N 345.491 2.548 0 50 EFAA COCCc1noc([C@@H](C)NC2CCN(c3ccccc3C)CC2)n1 584900937 SFRNKZMHNADMBT-OAHLLOKOSA-N 344.459 2.887 0 50 EFAA CCn1cc(CCN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cn1 952851752 VNEJAKYUWVBMCB-SJORKVTESA-N 340.475 2.567 0 50 EFAA Cc1c(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)ccn1C 952848309 KEMSMFBQQZIRKW-CVEARBPZSA-N 339.443 2.595 0 50 EFAA CC1CCN(c2nc(-c3cn(CC4CC(=O)C4)nn3)cs2)CC1 1875279378 YJTNHHWENKOHRB-UHFFFAOYSA-N 331.445 2.617 0 50 EFAA COc1cccc2c1CCN(C(=O)c1ncnc3ccsc13)CC2 1875267800 SZILDFVXTANPTD-UHFFFAOYSA-N 339.420 2.941 0 50 EFAA COc1cc(C(=O)OCc2ccc3nn[nH]c3c2)c2ncccc2c1 1875332458 SOOAKRXCCKSOSE-UHFFFAOYSA-N 334.335 2.872 0 50 EFAA O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)c1cc(C(F)(F)F)nn1C1CC1 1875303567 DNUSUXATIHSFRM-RKDXNWHRSA-N 345.321 2.610 0 50 EFAA CCn1c(=O)c(N2CCO[C@]3(CCSC3)CC2)nc2ccccc21 1875307157 VCYOHDIIPAQACB-SFHVURJKSA-N 345.468 2.519 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)cc1 1875373436 ARBUEDRRQFBQSJ-QAPCUYQASA-N 343.471 2.638 0 50 EFAA Fc1ccccc1OCCNCc1cnc(N2CCCCC2)nc1 952975099 RSMOYUJIGRTMDZ-UHFFFAOYSA-N 330.407 2.775 0 50 EFAA O=C(Cn1ncc2cccnc21)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 884948913 QNPIUMOCNGRJQI-KBPBESRZSA-N 334.370 2.856 0 50 EFAA CCn1cc(C(=O)N[C@H](C)c2cccnc2)c(C2CCOCC2)n1 886074523 ANEJMXKRGKMMCQ-CYBMUJFWSA-N 328.416 2.683 0 50 EFAA COc1ccc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1Cl 886080365 OETIVQGWFHFAFR-DYVFJYSZSA-N 335.835 2.950 0 50 EFAA Cc1ccc(CC(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)o1 889843292 VVYGTYPLDMGOOH-UHFFFAOYSA-N 339.399 2.703 0 50 EFAA Cc1cc(N2CCN(c3ccnnc3)CC2)nc(-c2cccs2)n1 895963143 JUHBTIXAYNXHGF-UHFFFAOYSA-N 338.440 2.630 0 50 EFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2ncnc3c(C)cccc23)C1 1775957457 VZTNGGWARUMFPZ-GXTWGEPZSA-N 325.372 2.596 0 50 EFAA CCn1c(=O)c(NC[C@H](O)c2c(F)cccc2F)nc2ccccc21 1472875497 FPEWJYXQTRHMIJ-HNNXBMFYSA-N 345.349 2.840 0 50 EFAA C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccccc3)CC2)CCO1 271808293 AITHWGHZKNUQLQ-LPHOPBHVSA-N 330.472 2.830 0 50 EFAA C[C@@H](NC(=O)C1(O)CCCCC1)c1cccc(N2CCCC2=O)c1 86567663 NNRCPJCQSXDYII-CQSZACIVSA-N 330.428 2.686 0 50 EFAA CCC1(CC)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCS1 274301436 HPOXRSFKZIETIC-UHFFFAOYSA-N 341.498 2.838 0 50 EFAA Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 276347765 VNRBRQDQKVRTAU-JKSUJKDBSA-N 342.443 2.728 0 50 EFAA CC(C)c1cc(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)n[nH]1 186578875 DOJJDEJUXJOVBG-MRXNPFEDSA-N 341.459 2.713 0 50 EFAA CC1(C)CN(CCNC(=O)[C@]2(C)CCCc3ccccc32)CCO1 170628761 FDVRZDHLEUGKQO-HXUWFJFHSA-N 330.472 2.508 0 50 EFAA CCCn1cc(CNc2cc(C)cc(N3CCN(C)CC3)c2)cn1 170608784 ZUDPQHTUFFJTBD-UHFFFAOYSA-N 327.476 2.965 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 171382623 KMDQMWJMBACFOE-INIZCTEOSA-N 325.364 2.812 0 50 EFAA Cc1cccc(NC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)c1C 191211474 LBVQSLCGGUWUHT-QGZVFWFLSA-N 344.484 2.766 0 50 EFAA C[C@H]1CCN(C(=O)Nc2ccccc2CS(C)(=O)=O)CCS1 192244121 IFRJQWWHMMWPBI-LBPRGKRZSA-N 342.486 2.591 0 50 EFAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 646801555 ALUPCMWXNDCGDX-BMFZPTHFSA-N 341.459 2.698 0 50 EFAA COc1cccc([C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C(=O)O)c1 659171613 DZTBHXPPVALRGW-SJORKVTESA-N 343.354 2.806 0 50 EFAA O=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCc2ncccc21 770317744 JIDNKDOPFHWOFN-GOSISDBHSA-N 335.407 2.666 0 50 EFAA COc1ccc([C@@H](C(=O)O)N2CCC3(CCOCC3)CC2)cc1OC 1529151843 NMSBMJYCKIDVEB-KRWDZBQOSA-N 349.427 2.722 0 50 EFAA [O-][n+]1onc2c3c4c(n(OCc5ccccc5)c3ccc21)CCCC4 439839 URGYLXDTXNJNAR-UHFFFAOYSA-N 335.363 2.924 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 479551 RPXYISNMTRAUFM-UHFFFAOYSA-N 338.816 2.777 0 50 EFAA O=C(c1ccccc1OCCc1ccccc1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772707520 UIJRGFACFWIMCH-NEWSRXKRSA-N 337.419 2.761 0 50 EFAA COc1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)c2ccccc12 1772701599 OIPDRUVJRCYUTM-OXQOHEQNSA-N 327.424 2.679 0 50 EFAA Cc1n[nH]c(C)c1CN(C)C(=O)c1cn(CCC2CCCCC2)nn1 11769483 BIKYTXJCLGOQAN-UHFFFAOYSA-N 344.463 2.861 0 50 EFAA COCCCNc1ncnc2sc(C(=O)N(C)C(C)C)c(C)c12 12035142 DMXJOJUDCBPDSD-UHFFFAOYSA-N 336.461 2.929 0 50 EFAA Cc1ccoc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12056713 VGBYFDLOFZCUQQ-MRXNPFEDSA-N 340.427 2.757 0 50 EFAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N1C12CC3CC(CC(C3)C1)C2 16577142 AVHUMDCECKJPHW-SJFHUFEGSA-N 340.423 2.824 0 50 EFAA CCn1c2ccccc2c2cc(CNCCNC[C@@H](C)O)ccc21 19872278 OCJURGOCJPGPAO-OAHLLOKOSA-N 325.456 2.874 0 50 EFAA COc1ccc([C@@H]2Cn3nnc(-c4nc(C(C)C)no4)c3CO2)cc1 169758389 CPTOSOSNMKYWCK-AWEZNQCLSA-N 341.371 2.732 0 50 EFAA O=C(Nc1nccs1)C1CCC(C(=O)Nc2nccs2)CC1 2884234 MGBXTJLSPBQZPB-UHFFFAOYSA-N 336.442 2.983 0 50 EFAA CCCCc1nnc(SCC(=O)Nc2nccs2)n1CC 4837873 CNUFSGJONYNCHV-UHFFFAOYSA-N 325.463 2.828 0 50 EFAA CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 6702682 CGFLTMKXKAPSLP-UHFFFAOYSA-N 336.438 2.617 0 50 EFAA Cc1ccccc1-c1nnn(CC(=O)NCc2ccccc2Cl)n1 2653774 BMKHYGHEMCJMAK-UHFFFAOYSA-N 341.802 2.618 0 50 EFAA CC(=Cc1ccccc1)CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 1857529720 FPILASRPLRBIIP-YLJYHZDGSA-N 338.455 2.775 0 50 EFAA C[C@H]1Oc2ccc(-n3ccnc3-c3cnsc3)cc2N(C)C1=O 1857687852 IERBDNAQMXVVAR-SNVBAGLBSA-N 326.381 2.740 0 50 EFAA C[S@@](=O)c1cccc(NC(=O)CSC[C@@H]2CCCCO2)c1 110932326 CWVMRDYNBYRPCI-ZSEKCTLFSA-N 327.471 2.665 0 50 EFAA Cc1ccccc1-n1nccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 113138307 HKMWWERARRIXEX-KRWDZBQOSA-N 347.374 2.901 0 50 EFAA CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 122191617 MRMYPLLSCWXDMO-CQSZACIVSA-N 330.359 2.826 0 50 EFAA CCCc1[nH]ccc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643907011 ZELWUZJBIZWOGM-INIZCTEOSA-N 327.432 2.801 0 50 EFAA O=S(=O)(c1sccc1F)N1CCOC[C@H]1c1ccc(F)cc1 451953316 JAXMXZHWEFVWFN-ZDUSSCGKSA-N 345.392 2.789 0 50 EFAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2O)C1 245600348 FJYNXSCDDSDFJD-SMDDNHRTSA-N 342.361 2.967 0 50 EFAA COc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1OC 348237893 DJDMAVGJVYENMB-HOCLYGCPSA-N 345.370 2.791 0 50 EFAA Nc1ncnc(N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1Cl 365056817 SFXZJEDIDWKNFP-ZDUSSCGKSA-N 343.818 2.665 0 50 EFAA COc1ccc([C@@H](NC(=O)c2cc(C(C)(C)C)on2)C(=O)O)cc1 262098409 GMZJYBWTZQGQKR-CQSZACIVSA-N 332.356 2.536 0 50 EFAA O=C(O)CCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 263315695 QHAISKYNBGTHTO-AWEZNQCLSA-N 325.792 2.965 0 50 EFAA O=C(O)c1nn(-c2ccccc2)cc1CN1CC[C@H](c2cccnc2)C1 902126395 WNKJUBFBTIEMFT-INIZCTEOSA-N 348.406 2.955 0 50 EFAA Cn1cc(CNc2ccc(C(=O)NC[C@H]3CC(C)(C)CO3)cc2)cn1 913795760 HVVYVWYUJYSMLE-QGZVFWFLSA-N 342.443 2.577 0 50 EFAA O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccnn1C1CCC1 934466109 HJCHNQJZNHTXLU-GFCCVEGCSA-N 346.381 2.895 0 50 EFAA O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccnn1C1CCC1 934704146 HWTUQVJPFJAORA-UHFFFAOYSA-N 337.387 2.511 0 50 EFAA Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c1 127330828 IVNWBAFANZJAHY-CYBMUJFWSA-N 339.233 2.628 0 50 EFAA CN(c1ccccc1)c1ccc(CN[C@H]2CCc3nn[nH]c3C2)cn1 2325777458 CRZLYCJLCCDSDX-HNNXBMFYSA-N 334.427 2.615 0 50 EFAA C[C@@]1(CNC(=O)c2cc(-c3cc(F)ccc3F)on2)CCCNC1 2325789188 BYJZIUBKDZJTES-QGZVFWFLSA-N 335.354 2.739 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](Cc3ccccc3F)C2)cnc2ccnn12 2325810394 IOKWWPGMJNHJAK-AWEZNQCLSA-N 338.386 2.882 0 50 EFAA COc1cc(F)c([C@H](C)NC2=NC[C@H]3CC[C@@H](C)CN23)cc1OC 2325864599 SWPCEXWPTVTHNC-FRRDWIJNSA-N 335.423 2.964 0 50 EFAA CC(=O)Nc1nnc(-c2ccccc2I)s1 620797 GVRPITYRGKWJDU-UHFFFAOYSA-N 345.165 2.768 0 50 EFAA Cc1cc(Br)c2c(c1)[C@@](O)(N1CCC(C)CC1)C(=O)N2 2470364 PHWDOCXACFSXRZ-HNNXBMFYSA-N 339.233 2.587 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCCCc2ccccc2)CC[C@H]1O 2356158038 VSBZDSXYXVWFIE-YLJYHZDGSA-N 347.455 2.864 0 50 EFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)C1 3307207 IFXSWTIWFGIXQO-NXEZZACHSA-N 331.821 2.705 0 50 EFAA c1ccc2c(c1)CCN(Cc1cnc(NC[C@H]3CCCO3)nc1)CC2 2356161984 ROHLNDLGHRTPCW-LJQANCHMSA-N 338.455 2.668 0 50 EFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)cs1 6681554 XXPJKYMYCFZHQJ-UHFFFAOYSA-N 330.818 2.562 0 50 EFAA COc1cccc(NC(=O)CN2CCN(c3ccccc3C)CC2)c1 55060301 YFNYABIMSHEXQG-UHFFFAOYSA-N 339.439 2.764 0 50 EFAA COc1ccc(OC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 229105129 AMRYVLVFKMLFTN-CHWSQXEVSA-N 333.350 2.709 0 50 EFAA CN1CCC[C@H](c2nc(Cc3ccccc3OC(F)F)no2)C1=O 351168857 PSOYIIRXTBKUFM-LLVKDONJSA-N 337.326 2.598 0 50 EFAA CC(=O)Oc1c(C)cc(CNCc2cn3nc(C)sc3n2)cc1C 65488556 PGARZUWBCJGRSH-UHFFFAOYSA-N 344.440 2.931 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cccnc1 229734058 VZIPKHMSKJKQEJ-CKEIUWERSA-N 332.425 2.621 0 50 EFAA CC(C)Cc1cc(C(=O)NCc2nncn2C2CCCCC2)no1 65387369 AUGDSVXMTYXXBE-UHFFFAOYSA-N 331.420 2.900 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1 11873550 YUIMKTDTVPNIDP-MRXNPFEDSA-N 334.464 2.890 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)c1 20118842 SCLNUFFJKKPUSL-OAHLLOKOSA-N 333.428 2.739 0 50 EFAA CCN1CCN(Cc2cc(C(=O)N(CC)C3CCCCC3)no2)CC1 67713913 SHNWMEUMIVSYME-UHFFFAOYSA-N 348.491 2.607 0 50 EFAA CC(C)CCn1cccc1CN[C@H]1CCCN(c2nccnc2O)C1 328633549 MDUMAQCHEOIFKW-INIZCTEOSA-N 343.475 2.788 0 50 EFAA O=C(Nc1ccc(C2CC2)nn1)N1CCC[C@@H](Nc2ccccc2)C1 333169880 KAHRYNVUINANSY-MRXNPFEDSA-N 337.427 3.462 0 50 EFAA O=C(N[C@@H]1CSC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 356627 PGAMNPSQOQDEBO-CVEARBPZSA-N 327.405 2.757 0 50 EFAA biogenic CN(C)c1ccc(CN2CCC(c3nnc4ccccn34)CC2)cn1 120931271 ASWIOSCJBDCGIW-UHFFFAOYSA-N 336.443 2.570 0 50 EFAA CCN(C(=O)Cc1cnn(C)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 363377009 VCYSTMFUUIMIKZ-QFBILLFUSA-N 340.471 2.647 0 50 EFAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(C(=O)O)CC1 237751542 PXQNPPNYPCSAEV-UHFFFAOYSA-N 326.396 2.717 0 50 EFAA Cc1ccc(CN2CCN(c3ncccc3Cl)C[C@@H]2CCO)o1 72476909 NQZJSOYRMGFDAL-AWEZNQCLSA-N 335.835 2.710 0 50 EFAA CN1CCC2(CC1)CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 72418380 VJEPCTMENYZFRV-UHFFFAOYSA-N 344.499 2.948 0 50 EFAA Cc1ncc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c(C)n1 375051574 WVKQZFZUGXOKER-AWEZNQCLSA-N 327.388 2.721 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCOc2cccc(F)c21 158676016 JCNNGARSDOYFHV-UHFFFAOYSA-N 327.237 2.674 0 50 EFAA Cc1ccc(NC(=O)NC[C@H]2CCCN(CCn3ccnc3)C2)cc1 131886547 CEQCWTDRZXATOR-QGZVFWFLSA-N 341.459 2.725 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(Cl)nc1Cl 245289880 FUVVPYKBXAQNTC-LDDIKCJXSA-N 343.210 2.706 0 50 EFAA O=C(CCc1ccc(Cl)cc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286148950 GTVXPBZDPPUMGP-GVDBMIGSSA-N 337.847 2.661 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)cc1Cl 286422103 SBMXNALPAZEQFE-XYPHTWIQSA-N 337.847 2.959 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)CCCN2CCCCCC2)n(C)n1 82087869 SFLRMAHYZKCPQC-UHFFFAOYSA-N 334.508 2.957 0 50 EFAA Cc1ccccc1N1CCCN(C(=O)COC[C@H]2CCCCO2)CC1 82136899 OGTBNTISDOKFJQ-GOSISDBHSA-N 346.471 2.619 0 50 EFAA CNC[C@H]1CCN(C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)C1 178973244 KIGSDMVVWYOGFE-CQSZACIVSA-N 346.862 2.824 0 50 EFAA COCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)n1cc(Cl)cn1 426408894 FTVIHFUVZSRJOP-LBPRGKRZSA-N 339.798 2.912 0 50 EFAA C[C@@]1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCCC[C@@H]1O 178288501 CHLCEGJMZRVUBM-LRDDRELGSA-N 337.420 2.662 0 50 EFAA CCc1cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)oc1CC 178498492 XFOWDWCIIOPUJX-CQSZACIVSA-N 334.460 2.730 0 50 EFAA Cc1ccc(C(C)(C)NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 426667674 VXGLSDXITKVNLK-SFHVURJKSA-N 347.503 2.982 0 50 EFAA Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1N(C)C 162097285 OHWWUTYXQVHHBV-UHFFFAOYSA-N 348.424 2.584 0 50 EFAA Cn1c(SCc2noc(C3CCCC3)n2)nnc1[C@H]1CCCNC1 426485510 FTKUBTBSTDAXTL-LBPRGKRZSA-N 348.476 2.615 0 50 EFAA Cc1noc(C)c1-c1nc(C2CCOCC2)nn1-c1cccnc1 96139889 CEHOEOLZMXNUOI-UHFFFAOYSA-N 325.372 2.828 0 50 EFAA Cc1ccccc1CN(CCO)C(=O)CCc1n[nH]c2c1CCCC2 97446945 NKVNZLQQNYFCPC-UHFFFAOYSA-N 341.455 2.551 0 50 EFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 91859960 IVOGGQAZDFGKEB-SFHVURJKSA-N 335.448 2.726 0 50 EFAA C[C@H]1CCc2sc(C(=O)N3CCC(n4cnnc4)CC3)cc2C1 91769513 PLHFXQPIKPDUPR-LBPRGKRZSA-N 330.457 2.942 0 50 EFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1nncn1-c1ccccc1 181115844 HQQRWNLBSBZKNN-KRWDZBQOSA-N 334.379 2.910 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)c1cnc(N(C)C)nc1C 95357060 LYCZEZJZXSLSIZ-UHFFFAOYSA-N 348.834 2.785 0 50 EFAA COc1cccc(OC2CN(C(=O)[C@H]3CCc4ccccc4O3)C2)c1 91694064 JWKQZEVXAUNGPV-LJQANCHMSA-N 339.391 2.679 0 50 EFAA O=C(N[C@H](COc1ccccc1F)c1ccccc1)[C@H]1CCNC1 237865567 JWIWFDIIRLCOSX-DOTOQJQBSA-N 328.387 2.672 0 50 EFAA CCCCOC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95524134 ZBGLFJNRRJPKAV-GXTWGEPZSA-N 337.445 2.503 0 50 EFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)o2)n1 97551428 ZBBFKJBNRUPTHL-CYBMUJFWSA-N 346.431 2.948 0 50 EFAA O=C(O)c1cccc(N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 95518800 GBOCWZMBTJASBN-KRWDZBQOSA-N 326.396 2.600 0 50 EFAA CSCc1noc(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)n1 244852818 UZPQPKVKHQTDLD-KRWDZBQOSA-N 345.424 2.543 0 50 EFAA COCc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)no1 182500786 OJFLSIIDBVFXCV-UHFFFAOYSA-N 336.779 2.608 0 50 EFAA CN(CCC(=O)Nc1ccc(F)cc1F)CCC1(O)CCCC1 244673901 HXRUNZMAQVPUHO-UHFFFAOYSA-N 326.387 2.920 0 50 EFAA Cc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1S(=O)(=O)NC1CC1 183648965 GIYRXTFWPSMTCE-ZDUSSCGKSA-N 349.456 2.666 0 50 EFAA CC(=O)N1CSC[C@@H]1c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299738554 CEEPMJCFCGLDCX-TUAOUCFPSA-N 325.434 2.582 0 50 EFAA O=C1NC[C@H](NC2CCCCC2)n2nc(-c3ccc(F)cc3)cc21 263617466 NXQQTLBEZYTHQD-QGZVFWFLSA-N 328.391 2.854 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1nnc3n1CCCC3)CC(C)(C)O2 534640851 ZZSGXPIJSKSCLX-AWEZNQCLSA-N 340.427 2.955 0 50 EFAA CCCCOc1ccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299796640 PCIKDPVCKXZKMW-OALUTQOASA-N 342.443 2.803 0 50 EFAA CC1(C)[C@H]2CC=C(CCNC(=O)CCC(=O)Nc3nncs3)[C@@H]1C2 827814631 KSARUICRAFFNLA-STQMWFEESA-N 348.472 2.756 0 50 EFAA CCCCn1nc(Cc2ccc(OC)c(OC)c2)nc1C1(N)CC1 822888893 UJNHMMGORAPUBV-UHFFFAOYSA-N 330.432 2.634 0 50 EFAA COc1ccc([C@@H](N)Cc2ncnn2-c2cccc(C)c2)cc1OC 670474088 IEWZOGZAMXECGS-INIZCTEOSA-N 338.411 2.835 0 50 EFAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)CC3CCCCCC3)C2)cn1 868453842 VMKJXDSGWUYKOH-HZPDHXFCSA-N 347.459 2.797 0 50 EFAA C[C@H](CC(=O)Nc1nc2cc3c(cc2s1)OCO3)n1ccnc1 1875297505 UIMYUUPRZGHRDG-SECBINFHSA-N 330.369 2.811 0 50 EFAA Cn1cc(C(=O)N2Cc3c[nH]nc3C(C)(C)C2)c(-c2cccs2)n1 1875392680 NSABQCVILURVBG-UHFFFAOYSA-N 341.440 2.805 0 50 EFAA Cc1cc(C(=O)N2CC(O)(C(F)(F)F)C2)c2c(c1)[C@H](C)CCN2 1875329332 RCEJECVRRVAQNO-SNVBAGLBSA-N 328.334 2.663 0 50 EFAA CC(C)n1ccc2c(OCC(=O)N3CCc4nc[nH]c4C3)cccc21 888105105 XIAFVNKYJBNTCJ-UHFFFAOYSA-N 338.411 2.909 0 50 EFAA CCn1ccnc1CN1CCCN(c2nc3ccc(F)cc3o2)CC1 892365447 PHTYTWCYJGLISB-UHFFFAOYSA-N 343.406 2.896 0 50 EFAA CCn1nc(C(=O)N2CC[C@H](Oc3ccc(C)cn3)C2)cc1C1CC1 899676166 KYYDBAGTDFFUDW-HNNXBMFYSA-N 340.427 2.777 0 50 EFAA CN1CCO[C@H]([C@H](NCCc2cccnc2)c2ccc(Cl)cc2)C1 170082419 GTCDEQIXSMVXAZ-RBUKOAKNSA-N 345.874 2.939 0 50 EFAA CO[C@]1(C)C[C@H](N(C)C(=O)Cc2sc(S)nc2C)C1(C)C 170645197 XZNIIALUOAJQMX-XHDPSFHLSA-N 328.503 2.945 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC[C@H](Cc2nccn2C)C1 170604504 YEBFDJLKOUCDNJ-OAHLLOKOSA-N 347.484 2.673 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@H](O)C[C@H]1c1cccc(OC)c1 281924276 AJJRUZFUCKIBBR-QRWLVFNGSA-N 343.471 2.861 0 50 EFAA Cc1nccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)O)n1 676020766 AJXSIAMSNQKRHU-QGZVFWFLSA-N 349.390 2.612 0 50 EFAA CC[C@H](C)n1ncc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C 408395499 NCWRDQUGJRNXNS-AHIWAGSCSA-N 336.436 2.574 0 50 EFAA Cc1nn([C@@H]2CCCCO2)c(C)c1C(=O)N(C)Cc1ccccn1 408522307 HGSSYZPDWRXOLJ-INIZCTEOSA-N 328.416 2.866 0 50 EFAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n[nH]1 225528304 NCLHGNFIFRJPEW-ZBEGNZNMSA-N 335.354 2.759 0 50 EFAA O=C(CN1C[C@@H](O)C[C@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 225651485 QMGKNFHHMBSVGS-GJZGRUSLSA-N 349.793 2.621 0 50 EFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnn(C)c1 190127416 UUQAVTKKYGQAOV-UHFFFAOYSA-N 342.321 2.982 0 50 EFAA CN(Cc1noc(C(C)(C)C)n1)[C@@H]1CCN(Cc2ccccc2)C1=O 191773900 DRVZKEVFDDIQDJ-OAHLLOKOSA-N 342.443 2.600 0 50 EFAA C[C@@H](NC(=O)Nc1ccn(Cc2ccccn2)n1)c1cccc(O)c1 743172846 UCJFTEPSFYMIGO-CYBMUJFWSA-N 337.383 2.915 0 50 EFAA CC(C)c1ccc(NC(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc1F 194143124 KALDRGIVYCLXTN-LBPRGKRZSA-N 342.436 2.990 0 50 EFAA C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 195551660 DTYQXVLCKIQUCK-JXFKEZNVSA-N 325.456 2.939 0 50 EFAA CC[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 815579 YPMJZXOKBZICBI-MRXNPFEDSA-N 326.396 2.758 0 50 EFAA C[C@@H](CO)Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 19336963 VUVWLCAXRWNVDG-NSHDSACASA-N 328.347 2.654 0 50 EFAA O=c1ccc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2o1 4744875 KNNXNTSCWCUSBI-UHFFFAOYSA-N 341.388 2.540 0 50 EFAA CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3C)cc21 4884956 AYUARERNXOVYLA-UHFFFAOYSA-N 330.409 2.705 0 50 EFAA O=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1ccccn1 6876429 JKRNUJLQWWNFEG-UHFFFAOYSA-N 341.342 2.709 0 50 EFAA COc1ccc(OCCCC(=O)Nc2ccccc2C(N)=O)cc1 1778211 CRZZYNXVRLAPJO-UHFFFAOYSA-N 328.368 2.592 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2[C@H]2CCN(C)C2=O)cn1 1857671182 QMTYMSKUJSIBDR-INIZCTEOSA-N 333.395 2.719 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccncc2Cl)CC1 408474335 QKIYFNBAXULPKY-XJKSGUPXSA-N 337.851 2.589 0 50 EFAA COCC[C@@H](NCc1nncn1C)c1ccc(Cl)c(Cl)c1 408516288 PXFOOTLPIRTDIZ-CYBMUJFWSA-N 329.231 2.989 0 50 EFAA CN(c1cc(N2CCCC[C@H]2CO)ncn1)C1CC(OC(C)(C)C)C1 420626411 MHLROMBGALMPKF-FHERZECASA-N 348.491 2.610 0 50 EFAA CN1CC[C@H]2CN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@H]2C1 328599952 UWALNUXYEXISJJ-JKSUJKDBSA-N 341.480 2.763 0 50 EFAA Cc1ccc(C[C@@H](CO)CNC(=O)NCc2cccc(C)c2)cc1 240744089 HULGFFASLGZLST-LJQANCHMSA-N 326.440 2.954 0 50 EFAA Cc1ncsc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 248070133 YEPSOXSOBAYZTC-OCCSQVGLSA-N 348.497 2.531 0 50 EFAA Cc1cc(CC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)n[nH]1 153312199 VFIWGPDPWFOPQN-UHFFFAOYSA-N 346.862 2.649 0 50 EFAA CC(=O)N(C)c1ccc(NC(=O)NCC[C@H]2CCC(C)(C)CO2)cn1 931766038 UREODHWCZIYIIF-OAHLLOKOSA-N 348.447 2.781 0 50 EFAA Cc1cccc(C)c1NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 116833 GLQDIIIJGWGVIN-HNNXBMFYSA-N 344.436 2.708 0 50 EFAA CCOc1ccc([C@H](NC(=O)c2ccn3c2CCCC3)C(=O)O)cc1 2325775263 QBCSUBDQSPKQSD-KRWDZBQOSA-N 342.395 2.779 0 50 EFAA O=C(NCc1ccco1)NC1(C(F)(F)F)Oc2ccccc2O1 212696 VHTWCSGEZCYYBW-UHFFFAOYSA-N 328.246 2.766 0 50 EFAA COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1OC 583256 CGASUUFBSYLLQC-UHFFFAOYSA-N 335.381 2.591 0 50 EFAA COc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 984885 IRXNDNJDQATYQA-KZULUSFZSA-N 343.379 2.662 0 50 EFAA CCn1c(SCC(=O)OC)nnc1[C@@H](C)Oc1ccc(F)cc1 6726428 XFTJAUZFHLSLIK-SNVBAGLBSA-N 339.392 2.842 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2ccccc2n1 112653713 DUMKEQDPLGWEPJ-CYBMUJFWSA-N 335.411 2.695 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)c1 134686096 CCAKTSCWNNDVDD-GJZGRUSLSA-N 341.498 2.507 0 50 EFAA Cc1ccsc1CN(C(=O)CCn1nnnc1C)C1CCCC1 55227085 XMOLVXWYXALYNH-UHFFFAOYSA-N 333.461 2.713 0 50 EFAA CCN1CCN(C(=O)CCC(=O)Nc2cc(C)ccc2F)CC1(C)C 55100214 QVTTYXWGPQSYCB-UHFFFAOYSA-N 349.450 2.796 0 50 EFAA CCc1nc(C)c(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)o1 65376138 HJYCGWNRVXRJRG-CHWSQXEVSA-N 334.441 2.906 0 50 EFAA Cc1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1C 67805751 ZHJODLVJUJJZOG-KRWDZBQOSA-N 336.501 2.597 0 50 EFAA O=C(C[C@H]1SC(=O)N(CN2CCCCC2)C1=O)Nc1ccccc1 54360496 SHYRSIYFQRVXHH-CQSZACIVSA-N 347.440 2.523 0 50 EFAA COc1cc(CNC(=O)c2c(C)nc3ccc(C)cn23)ccc1O 65409723 IRRAHRQPWDMLSS-UHFFFAOYSA-N 325.368 2.595 0 50 EFAA COCCN1CC[C@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 68524712 OUFVFKHZUGVXLJ-LLVKDONJSA-N 329.803 2.569 0 50 EFAA C[C@H]1CCCN(C(=O)CCNCc2cc(-c3ccccc3)[nH]n2)C1 67559983 VWYPNXRTIMIZKJ-HNNXBMFYSA-N 326.444 2.815 0 50 EFAA Cc1cc([C@@H]2CCCN(C[C@@H](O)COCc3cccs3)C2)n[nH]1 229923899 JFDBBWVLTOQKAY-HUUCEWRRSA-N 335.473 2.537 0 50 EFAA CC(=O)c1cc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)n(C)c1 173139040 QGXQEZRZFONZNT-QGZVFWFLSA-N 348.406 2.868 0 50 EFAA NC(=O)c1noc([C@@H]2CCCN2Cc2cc3ccccc3s2)n1 328645660 SFWLLWKYVKTXHT-LBPRGKRZSA-N 328.397 2.720 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@H]1Cc2ccccc2[C@H]1O 328649856 VGMOPAGKYOBLST-ZIBCJSCZSA-N 337.467 2.665 0 50 EFAA CN(Cc1ccn(C)c1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328647545 UASUEJOSJDQKKE-LBPRGKRZSA-N 326.366 2.935 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396860 QTJKGRXYJAOWLF-BHIYHBOVSA-N 343.471 2.838 0 50 EFAA CN(Cc1ccccc1)C1(C(=O)N2CCCO2)Cc2ccccc2C1 39359736 NAECOSOFJWQGBN-UHFFFAOYSA-N 336.435 2.820 0 50 EFAA Cc1cccc2nc(CNC(=O)c3cccc([C@@H]4CCNC4)c3)cn12 72125641 KIXZUWPCCYXNPP-QGZVFWFLSA-N 334.423 2.650 0 50 EFAA Cc1nc(N2CCC(c3cc(=O)[nH]c(C)n3)CC2)c2ccsc2n1 77356878 QKLBCEDPEHPOQP-UHFFFAOYSA-N 341.440 2.775 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@H]1CCCc2cc(F)ccc21 153416410 CMRIHUTTXDLCAL-AWEZNQCLSA-N 348.447 2.852 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C1 364053782 FSXBCRTZMDHWHJ-IWAYRVGRSA-N 332.407 2.998 0 50 EFAA COc1ccccc1N1CC[C@@H](CNC(=O)c2ccncc2Cl)C1 174271884 FJNQTYMEPWEORR-ZDUSSCGKSA-N 345.830 3.000 0 50 EFAA O=C(CCn1cnnc1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71751507 WIDCCZNKDVGRKN-INIZCTEOSA-N 330.407 2.679 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)C1CC=CC1 238041545 ZGCLUFVHWZENRL-INIZCTEOSA-N 342.395 2.671 0 50 EFAA CC(=O)N1C[C@H](C)CN(C(=O)/C=C/c2ccncn2)c2ccccc21 371794912 JDOJDSCOYLPNMK-NPQIQWPPSA-N 336.395 2.526 0 50 EFAA CC(C)c1nc(NC[C@H]2COc3ccccc3O2)c2cnn(C)c2n1 72159075 YVJWALPIDITSQD-LBPRGKRZSA-N 339.399 2.739 0 50 EFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 262906636 IXECBNDVWDJORA-OAHLLOKOSA-N 346.452 2.912 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(OC)c2)cc1 337507311 IUMPRTWZGDAXSK-LPHOPBHVSA-N 341.407 2.581 0 50 EFAA O=C(NCc1cc(COc2ccccc2F)on1)N1CCCCO1 242197034 XHGKQQAQFMNHFN-UHFFFAOYSA-N 335.335 2.630 0 50 EFAA COCCc1ncc(CN2CCN(c3ccc(C)cc3)C[C@H]2C)cn1 72473321 CTDXRUWQQZNWOG-QGZVFWFLSA-N 340.471 2.685 0 50 EFAA COCCn1ccnc1CN(C)Cc1cnn(-c2ccccc2C)c1 215755500 GXHPEECNSGFKBP-UHFFFAOYSA-N 339.443 2.656 0 50 EFAA Nc1nccc(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)n1 216220703 BQTGMMMQNQPXER-UHFFFAOYSA-N 334.427 2.624 0 50 EFAA O=C(Cn1ccccc1=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71439591 IMZUTKMURYDAHB-KRWDZBQOSA-N 342.414 2.859 0 50 EFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C12CCC2 132866237 NXEROYXUTLZTAB-LSDHHAIUSA-N 331.416 2.597 0 50 EFAA O=C(NC[C@H]1CSCCS1)c1cc(F)cc2nc(S)[nH]c12 133241313 JCJUOPBEZZMBMT-QMMMGPOBSA-N 343.474 2.569 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(Cc2ccc3c(c2)CCCC3)CC1 263454808 AMXPSBJOKJJFFI-IBGZPJMESA-N 330.472 2.936 0 50 EFAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 176153184 KCTGDCPBAGEZOZ-CYBMUJFWSA-N 331.803 2.614 0 50 EFAA O=C(O)c1cccc(Nc2nc(NCCCO)c3ccccc3n2)c1 41150210 KNKKKBNQAUVVDM-UHFFFAOYSA-N 338.367 2.866 0 50 EFAA biogenic COc1ccccc1-c1cccc(C(=O)N[C@@H]2COCC[C@H]2OC)c1 222975518 WHFHBEOYAKVKFY-IEBWSBKVSA-N 341.407 2.896 0 50 EFAA CCCCOc1cccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 137182996 XTTGOGILDAVHSI-ZIAGYGMSSA-N 340.470 2.519 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN(c2cccnc2)CC1 223823232 QEGLSUUWDXGBRB-UHFFFAOYSA-N 349.356 2.992 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)cc1 229813941 SSSXWDFMWCJDPQ-JNNCMOEMSA-N 325.364 2.597 0 50 EFAA COCCN(Cc1nccs1)C(=O)c1ccc(C)n1C(F)F 426620302 WSHBCPZXZPXFLP-UHFFFAOYSA-N 329.372 2.937 0 50 EFAA Cc1nc(CNC(=O)c2cccc(CN3CCCCCC3)c2)no1 426442721 VEXSKFIQKUDLOP-UHFFFAOYSA-N 328.416 2.684 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c(F)c1F 82119913 FXUYNWNBXKTTSY-NSHDSACASA-N 335.354 2.727 0 50 EFAA CCCn1ncc(C(=O)N[C@@H](CO)Cc2ccc(Cl)cc2)c1C 91288985 GCNGKUGQXKBWQQ-OAHLLOKOSA-N 335.835 2.588 0 50 EFAA CC(=O)c1cn([C@@H](C)C(=O)N2CCn3cncc3C2)c2ccccc12 426473687 USPUMZZRVAQWHQ-ZDUSSCGKSA-N 336.395 2.644 0 50 EFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCC(n2cnnc2)CC1 426526312 WCXMKLCXUJJSSB-UHFFFAOYSA-N 341.802 2.957 0 50 EFAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@@H]23)[C@H]1C(=O)O 239433093 XEYUSPFUMMEJHA-LFCXMHMLSA-N 327.380 2.793 0 50 EFAA Fc1cccc(-n2nc(-c3ccco3)nc2CCCn2cncn2)c1 95499092 OENYFZKAYQGJAJ-UHFFFAOYSA-N 338.346 2.891 0 50 EFAA CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)c1ccoc1)CC2 91526744 MSHVTLIWTPUXHL-UHFFFAOYSA-N 342.443 2.648 0 50 EFAA CCCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C)no2)CC1 95372390 DIQWFBYKGDCJLC-INIZCTEOSA-N 334.464 2.944 0 50 EFAA COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)O 299741203 DQVJCONPWRIRFB-CQSZACIVSA-N 335.400 2.628 0 50 EFAA COc1ccc(-c2ccccc2)cc1NC(=O)N(C)[C@H]1COC[C@@H]1O 299793093 JQEGJANTOQELKF-IRXDYDNUSA-N 342.395 2.586 0 50 EFAA C[C@H]1Cc2cc(NC(=O)N(C)CCc3noc(C4CC4)n3)ccc2O1 299759965 RQKMIKGXYYUOQR-NSHDSACASA-N 342.399 2.977 0 50 EFAA COCCCN(Cc1ccccc1OC)C(=O)c1cc(C)nc(C)n1 824389845 IYHGTZLKBOFMNM-UHFFFAOYSA-N 343.427 2.781 0 50 EFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cccc(-c2ccncc2)c1 1875400098 QORKWULTHHHNDA-IOMROCGXSA-N 348.450 2.874 0 50 EFAA CCN1CCO[C@@H](CN[C@@H](C)c2cc(C)c(C)o2)[C@@H]1c1cncn1C 952852480 BNKMPCFHHVQPFV-JVPBZIDWSA-N 346.475 2.743 0 50 EFAA Cn1nc(C2CCCC2)cc1C(=O)N1CC[C@@]2(C(=O)O)CCC[C@H]12 1875305867 KTRAWISZSFIAIY-YJBOKZPZSA-N 331.416 2.547 0 50 EFAA CC(C)c1c(C(=O)N2Cc3ccccc3[C@H](n3cccn3)C2)cnn1C 1875314118 IHPCAJVNQSXKKU-GOSISDBHSA-N 349.438 2.985 0 50 EFAA CC1=C(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)OCCO1 952968799 NYBBQNYNRLGPAH-GOSISDBHSA-N 344.455 2.826 0 50 EFAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cccn2)c1 884070423 LJMPPSWCLVGOQZ-GOSISDBHSA-N 345.406 2.862 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1CCC[C@H]1c1ccc(N)nn1 886096991 UXMPGXCNFCDWKI-AWEZNQCLSA-N 346.818 2.627 0 50 EFAA O=C([C@@H]1CCc2cccc(O)c21)N1CCC[C@@H](NCC(F)(F)F)C1 1775994182 XHKKEFVZHPPBSD-CHWSQXEVSA-N 342.361 2.565 0 50 EFAA CC[C@@H](CCO)CN[C@@H](C)C1(n2cc(Br)cn2)CC1 1775991272 JRSOPUDEMNNGKS-RYUDHWBXSA-N 330.270 2.521 0 50 EFAA CN(C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)c1ncccn1 1337550626 YBWSAPUQBBXRDY-UHFFFAOYSA-N 344.325 2.611 0 50 EFAA O=C(O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc2ccncc12 899931014 XNLALANALQGYDK-HIFRSBDPSA-N 348.424 2.547 0 50 EFAA COc1ccc([C@H]2CN(C(=O)c3ccsc3)C[C@@H]2N(C)C)cc1 1565509647 TZUQRMNXKSPLLV-SJORKVTESA-N 330.453 2.927 0 50 EFAA O=C(NC[C@@H]1C[C@H]1C(F)(F)F)Nc1cnn(-c2ccncc2)c1 1365127380 YKCLWTNLEZJYTB-JOYOIKCWSA-N 325.294 2.587 0 50 EFAA O=C(O)Cc1ccc(I)c(Br)c1 40571539 VUOSGOOAZMZAOM-UHFFFAOYSA-N 340.942 2.681 0 50 EFAA in-vitro CCCc1nc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)co1 273560762 DFCTVIYUBPEMQO-LLVKDONJSA-N 327.384 2.637 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)NCc2ccoc2)C2CCOCC2)n1 275501271 VXUCUCQZDXGGLN-AWEZNQCLSA-N 348.403 2.753 0 50 EFAA O=C(C[C@H]1CNCCO1)Nc1cccc(OCc2ccc(F)cc2)c1 170048717 OHPABZJXFHYSNW-SFHVURJKSA-N 344.386 2.722 0 50 EFAA COc1ccccc1CCC(=O)Nc1cncnc1N1CCCC1 170593210 WSNSGITZNAPQOT-UHFFFAOYSA-N 326.400 2.657 0 50 EFAA Nc1nnc(SCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[nH]1 170593861 QRMLKFJUMIODAG-UHFFFAOYSA-N 342.215 2.567 0 50 EFAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 281766459 IRELANSYNNWRMV-BMIGLBTASA-N 341.386 2.648 0 50 EFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCn4cnnc4C3)c2c1 674498567 QQZWXSKEOXQBMK-UHFFFAOYSA-N 347.422 2.977 0 50 EFAA CC[C@H](NC(=O)[C@H]1CCCO1)[C@@H](O)c1ccc(C(F)(F)F)cc1 221937696 NMLKDTCXJMENEB-MJBXVCDLSA-N 331.334 2.813 0 50 EFAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncc[nH]1 412106983 JGUOVPNBFVNZAW-JTQLQIEISA-N 327.306 2.803 0 50 EFAA CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCCC(C)(C)S(C)(=O)=O 412635052 BWKCSLPSLQMFSB-JKSUJKDBSA-N 337.485 2.682 0 50 EFAA CC[C@@H](C)NC(=O)CN1C[C@@H](C)Oc2ccc(Br)cc21 225536097 OLCQAHQSKRMPEI-GHMZBOCLSA-N 341.249 2.951 0 50 EFAA CCc1cc(NCc2ccc(C)n(C)c2=O)nc(-c2ccncc2)n1 225604584 INCPPKGKTNATAX-UHFFFAOYSA-N 335.411 2.720 0 50 EFAA COC(=O)c1c[nH]c(S[C@H]2CCCN(c3ccccc3F)C2=O)n1 193553030 YCTGJFMKERXZHN-ZDUSSCGKSA-N 349.387 2.623 0 50 EFAA Cc1cc(C)nc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 194695002 YFHNGTUWZLGUJA-UHFFFAOYSA-N 329.784 2.828 0 50 EFAA CN(C)C(=O)c1cccnc1N(C)Cc1nc2ccc(Cl)cc2[nH]1 1529159516 TVQADWVRFZPBJJ-UHFFFAOYSA-N 343.818 2.950 0 50 EFAA CCOc1cc(C)c(CN2CC[C@@]3(CNC(=O)CO3)C2)cc1C(C)C 1772813560 HQFOQYDZDNPIGG-HXUWFJFHSA-N 346.471 2.608 0 50 EFAA CSc1ccc2nc(N3CC[C@@H](O)[C@@H](C(=O)O)C3)cc(C)c2c1 1772700895 IOESDMQTSNFTJQ-DZGCQCFKSA-N 332.425 2.537 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2N)cc1 11693014 DJYQGSBRIDNGEL-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA CCOC(=O)[C@@]1(CCOC)CCCN(C2Cc3ccccc3C2)C1 11841729 OTCLXHMQQYILQS-HXUWFJFHSA-N 331.456 2.836 0 50 EFAA COc1cccc(CC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 12385566 FNWYECVIQFSCSB-GOSISDBHSA-N 346.471 2.894 0 50 EFAA CC(C)NC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 14971705 JPCQSYKKXZXOEZ-LJQANCHMSA-N 343.515 2.888 0 50 EFAA COc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)Nc2ccccc23)cc1 4592759 XSQSECQRRRCUPN-ZMZPIMSZSA-N 340.404 2.969 0 50 EFAA CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 2975376 CSCPGTNTFRAIRU-UHFFFAOYSA-N 332.381 2.973 0 50 EFAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(C)(C)C)cc1 4870150 NWCSJSCQVUXHSL-HNNXBMFYSA-N 341.415 2.823 0 50 EFAA CC(C)c1ccc(C=CCC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 1857528641 JBLAQUNZRVSVAG-KRWDZBQOSA-N 335.469 2.907 0 50 EFAA Cc1ccc2ncnc(NC3CCN(Cc4cccnc4)CC3)c2n1 1857676803 XVYWMQUDMQIGCB-UHFFFAOYSA-N 334.427 2.805 0 50 EFAA C[C@H]1CN2C[C@@H](N=c3[nH]c4cc(C(C)(C)C)ccc4o3)C[C@H]2CO1 1857712896 WJEZJBFHEVUEJT-QEJZJMRPSA-N 329.444 2.821 0 50 EFAA CSc1cccc(NC(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c1 1857717074 JFLNZNYQZOWXRW-ZOBUZTSGSA-N 347.484 2.782 0 50 EFAA Cc1oc(-c2ccccc2F)nc1CN1CCN2[C@@H](C)COC[C@H]2C1 1875244043 JWODZAKQLARSLE-DZGCQCFKSA-N 345.418 2.694 0 50 EFAA Cc1ccc(-n2nnnc2N2CCO[C@@](C)(c3ccccc3)C2)cc1 301653116 QVZGZNMJEHAAOT-LJQANCHMSA-N 335.411 2.723 0 50 EFAA C[C@@H]1CCN[C@@H](C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)C1 423276508 MYIRHVYGVKSNLG-JTNHKYCSSA-N 348.834 2.955 0 50 EFAA O=C(C1CCCCC1)N1CCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 230134906 TZVYUKKFNHLGSE-KURKYZTESA-N 348.487 2.728 0 50 EFAA O=C(N1CCC[C@@H](Cn2cncn2)C1)C1(c2ccc(Cl)cc2)CC1 126992298 XZTNJILWZWSCBC-CQSZACIVSA-N 344.846 2.902 0 50 EFAA O=C1CC[C@H](C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)N1 337584266 QLOGAPXQQKNSAR-CYBMUJFWSA-N 331.759 2.744 0 50 EFAA CC(C)[C@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccnn1C 252510665 ZNXDJEVVFQECDX-AWEZNQCLSA-N 336.480 2.759 0 50 EFAA Clc1ccccc1-c1noc(OCc2n[nH]c3c2COCC3)n1 901479790 DJXMTDCHZZKFAZ-UHFFFAOYSA-N 332.747 2.765 0 50 EFAA 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0 50 EFAA CCc1ocnc1C(=O)NCC1CCN(Cc2ccc(C)o2)CC1 299787073 VECHNBDVAWTEIJ-UHFFFAOYSA-N 331.416 2.780 0 50 EFAA Cc1ccn2cc(CNC(=O)c3ccc(CN4CCCC4)o3)nc2c1 299785995 QSFLTZKYHSUVQQ-UHFFFAOYSA-N 338.411 2.762 0 50 EFAA CSCCN1CCC(NC(=O)N(C)[C@@H](C)c2ccncc2)CC1 824901240 FASVIRGUOGZJLO-AWEZNQCLSA-N 336.505 2.611 0 50 EFAA O=C(c1cc2ncccn2n1)N1CCC[C@H](c2nc3ccccc3o2)C1 584886757 YKOYSVOYQBLEFP-ZDUSSCGKSA-N 347.378 2.890 0 50 EFAA C[C@@]1(CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCCN1 1875272477 SLXJJDMCOYXUGM-SFHVURJKSA-N 341.415 2.878 0 50 EFAA CO[C@H]1CCN(C[C@]2(C)CN(Cc3ccccc3)C2=O)CC1(C)C 1875367543 MMWYGWNNRGMNAQ-FXAWDEMLSA-N 330.472 2.782 0 50 EFAA NCc1cn(-c2cccc(CNc3ccnc(C(F)(F)F)c3)c2)nn1 1875309948 WBFPAVSGCRUMAY-UHFFFAOYSA-N 348.332 2.752 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2scc3c2OCCO3)c1C 952860870 AGVRRYHCDSJOOL-UHFFFAOYSA-N 345.380 2.970 0 50 EFAA O=C(Cc1ccc(NC(=O)c2cc(C3CC3)no2)cc1)NC1CC1 952869760 ZWLQORKUUILMGS-UHFFFAOYSA-N 325.368 2.625 0 50 EFAA Cc1ccc([C@H](O)CN2CCc3nnn(C4CC(C)C4)c3C2)cc1 879329968 PVINCBVHNIZDBW-GSQSYGFSSA-N 326.444 2.649 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)Cn2nc3ccccc3n2)c(C)c1 952867470 NMDRAUOGCRNANW-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA CO[C@]1(c2nnc(-c3cc4ccc(F)cc4nc3C)o2)CCOC1 886085166 AFGNBLPAHSNHNK-QGZVFWFLSA-N 329.331 2.994 0 50 EFAA CCO[C@@]1(c2nnc(-c3cnn(-c4ccccc4C)c3)o2)CCOC1 886082113 ARURBIUGEHHABY-SFHVURJKSA-N 340.383 2.883 0 50 EFAA COc1cc(-c2noc([C@@H](F)C3CNC3)n2)cc(Cl)c1OC 888099258 XYELKYUKYNQNGS-NSHDSACASA-N 327.743 2.637 0 50 EFAA Cc1noc(-c2ccc(NC[C@]3(c4ccccc4)C[C@H](O)C3)nc2)n1 895596141 YXBYXCJGLGETMA-RUCARUNLSA-N 336.395 2.945 0 50 EFAA Cn1nncc1CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 894875621 FLIBALQQERIFHP-MRXNPFEDSA-N 327.432 2.540 0 50 EFAA C[C@@H](NC(=O)C1CC=CC1)c1cc(F)ccc1N1CCC(O)CC1 86639824 PODQAMAPRRGUBJ-CYBMUJFWSA-N 332.419 2.930 0 50 EFAA C[C@H]1CCSCCN1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 170090358 YRBJSJDHBOVBTJ-UONOGXRCSA-N 345.472 2.865 0 50 EFAA CCC[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccs1 170592162 MAOAWGBVSBQQEC-LLVKDONJSA-N 344.444 2.508 0 50 EFAA CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cn1 170755663 TXPNPQNKUAVANV-UHFFFAOYSA-N 348.200 2.846 0 50 EFAA C[C@H](O)CCN(C)C(=O)c1cc2sc(N3CCCC3)nc2s1 280079019 XYNNWMCYHROGEO-JTQLQIEISA-N 339.486 2.801 0 50 EFAA CN(C[C@@H]1CCCCO1)[C@H]1CCN(C(=O)c2nc(Cl)cs2)C1 972168980 QIFZTIBHUADCDO-RYUDHWBXSA-N 343.880 2.512 0 50 EFAA CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(O)c1 188513155 BWOFJESENFQYAR-WMLDXEAASA-N 342.439 2.570 0 50 EFAA O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2nnn[nH]2)C1 222015707 QEBQFNJYAFHQQG-GMTAPVOTSA-N 349.797 2.502 0 50 EFAA C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 222215639 CXTQVJJFORFLIZ-AVRGHOLYSA-N 348.468 2.633 0 50 EFAA CCn1ncc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1C1CC1 639636257 QTGJNZGMBQEFAM-UHFFFAOYSA-N 336.399 2.673 0 50 EFAA C[C@@H]1CCC[C@H](OCC(=O)NCCC(=O)OC2CCCCC2)C1 225761556 VPTLJDCJBHPJRQ-ZBFHGGJFSA-N 325.449 2.964 0 50 EFAA O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc2c1CCC2 194370433 LDJRTAPCNIQABE-UHFFFAOYSA-N 338.407 2.803 0 50 EFAA COc1ccc([C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(=O)O)cc1F 652072403 XKZNBFUJWQBZPG-DDFXLWFNSA-N 333.359 2.679 0 50 EFAA CCc1nc2n(n1)CCC[C@H]2NC1CCN(C(=O)OCC(C)C)CC1 195551363 WALCMFACALWSTD-OAHLLOKOSA-N 349.479 2.522 0 50 EFAA C[C@@H](C(=O)Nc1cccc(-n2ccnc2O)c1)N1CCc2ccccc21 747155520 NZHBCWGCQVKTOA-AWEZNQCLSA-N 348.406 2.968 0 50 EFAA COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ncccc2C)cc1 762378859 RJZKHJDMKCJJLT-XLIONFOSSA-N 340.423 2.911 0 50 EFAA CO[C@@H](C)c1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 1506400018 LMCIVFVQXMPVTD-VIFPVBQESA-N 335.385 2.546 0 50 EFAA COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1Cl 1529104305 NLRTXHXUUSVJRA-NVXWUHKLSA-N 332.831 2.779 0 50 EFAA Cc1ccc2c(c1)cc(CN1C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C1)n2C 1529159215 QOPRJRJGEYVQBR-UZLBHIALSA-N 338.455 2.554 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704340134 OJWWJPYZADQSFI-HXUWFJFHSA-N 337.471 2.726 0 50 EFAA COc1cc2nc(NCCc3nnc(N)s3)cc(C)c2cc1OC 1704300293 RKDIYVSUEYGATB-UHFFFAOYSA-N 345.428 2.649 0 50 EFAA COc1cc2c(cc1CN1C[C@H](Cc3ccncc3)[C@@H](O)C1)CCC2 1615734057 CBVWRYDRQDAURR-ICSRJNTNSA-N 338.451 2.614 0 50 EFAA O=C(CCOc1ccccc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775980324 YKAFBUFBUSFBHT-IBGZPJMESA-N 325.412 2.685 0 50 EFAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1cccs1 11697802 YWGRNADYLUOOQV-UHFFFAOYSA-N 340.412 2.519 0 50 EFAA COCCOc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 12137778 GIFFOEYCEJQUNI-UHFFFAOYSA-N 342.395 2.947 0 50 EFAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cn(C)nc2C)C1 12455026 GBBWOFXNIPLQPJ-AWEZNQCLSA-N 345.418 2.971 0 50 EFAA COC(=O)c1ccc(CNC(=O)Cc2csc(C(C)=O)c2)cc1 19634660 ZDVKXKNUKPXFRD-UHFFFAOYSA-N 331.393 2.596 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 19773956 SSSCRCMTSRXFCE-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA COc1ccccc1[C@H]1NC(=O)N(CCC(C)C)C2=C1C(=O)OC2 169760807 XPWMSTARUQBIRH-MRXNPFEDSA-N 330.384 2.619 0 50 EFAA CNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 4841215 PGIQUHARKOCGCD-UHFFFAOYSA-N 331.441 2.740 0 50 EFAA COc1ccc(N2C[C@H](NCc3cncc(Cl)c3)CC2=O)cc1 1857530941 BKXJWCGSULEWFS-CQSZACIVSA-N 331.803 2.639 0 50 EFAA O=c1c2[nH]ccc2ncn1CC1CCN(CCc2ccccc2)CC1 1857696521 FEAAFIXCZCUDLT-UHFFFAOYSA-N 336.439 2.679 0 50 EFAA CCOc1ccc(-c2nccn2C[C@]2(O)CCCNC2)cc1Cl 1857708761 MCKHGCMDNAFTHD-KRWDZBQOSA-N 335.835 2.717 0 50 EFAA CC[C@@H](NC(=O)c1c(-c2ccccc2)n[nH]c1C)c1ncnn1CC 1857737780 CKEFZGCDYNQKOK-CQSZACIVSA-N 338.415 2.878 0 50 EFAA O=C(O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 276155 JOTQNZHTWXIWHJ-UHFFFAOYSA-N 328.349 2.734 0 50 EFAA O=C(CC1CCNCC1)NCc1ccc(OCC(F)(F)F)cc1 225445109 ZMGDQBBWYAOPPI-UHFFFAOYSA-N 330.350 2.634 0 50 EFAA Cc1ccc(-c2nnn(CC(=O)N[C@H]3C[C@H]3c3ccccc3C)n2)cc1 126667084 WZOSXHVMOKYUPJ-ROUUACIJSA-N 347.422 2.629 0 50 EFAA N[C@H]1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 238059002 CREGGPFVFHRFSY-JTQLQIEISA-N 343.374 2.807 0 50 EFAA COc1ncc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl 459012553 QWXRSKCRWJHBEF-GFCCVEGCSA-N 349.822 2.556 0 50 EFAA C[C@H](NC(=O)c1cc[nH]c(=O)c1)c1noc(-c2ccc(Cl)cc2)n1 154438902 JMINJCVINCQWHK-VIFPVBQESA-N 344.758 2.569 0 50 EFAA OC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1 858392023 ZBAOYFPILJKQAK-UHFFFAOYSA-N 342.424 2.707 0 50 EFAA N[C@@H](CC(=O)O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 2325761517 LSAYGINVZXKNAF-QWHCGFSZSA-N 344.333 2.561 0 50 EFAA Cc1ccc(-n2ccc(CNC(=O)[C@@H]3CCc4cnc(C)n4C3)n2)cc1 2325800215 XDFSMCMOGFVWCR-MRXNPFEDSA-N 349.438 2.564 0 50 EFAA CN1C(=O)CCC[C@H]1COC(=O)CCc1ccc(F)cc1Cl 2325869150 AJQYZKFFZVGQFQ-ZDUSSCGKSA-N 327.783 2.966 0 50 EFAA C[C@@H](CF)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 2325871400 KHAITERVOKGRRV-XJKSGUPXSA-N 343.402 2.561 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1 132816753 DDFWTGTYWBIVNI-UHFFFAOYSA-N 344.348 2.841 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 30301 RSVJZQGBMDWJAE-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 186310 UYTAJIZGUZFXNQ-UHFFFAOYSA-N 325.817 2.870 0 50 EFAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(N)=O)ccc12 186421 XHQNCCWZUZGTHO-UHFFFAOYSA-N 337.375 2.865 0 50 EFAA biogenic Cc1ccc(C(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)cc1 302758 AGDUNJLXOOVADF-INIZCTEOSA-N 349.312 2.891 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)s1 2709896 VZVDRMAJARYQOG-QGZVFWFLSA-N 345.424 2.946 0 50 EFAA COC(=O)[C@@H](CCSC)NC(=O)CCn1c(C)cc2ccccc21 55255816 ZSGZXDQYLAJLBN-OAHLLOKOSA-N 348.468 2.751 0 50 EFAA O=C(O)CNc1ccccc1C(=O)N1CCCC[C@@H]1c1cccnc1 55060686 IJYZMXRESDPFML-QGZVFWFLSA-N 339.395 2.946 0 50 EFAA CC[C@H](c1ccccc1)c1nn2c(CN3CCOCC3)nnc2s1 57524415 JREJPZCUBPTVLJ-CQSZACIVSA-N 343.456 2.560 0 50 EFAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)CCc1scnc1C 55154893 VFYZYMKZGQJDDD-OAHLLOKOSA-N 338.404 2.899 0 50 EFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)n2cncn2)c1 55090125 QFGVMSZIAHHGRI-LLVKDONJSA-N 349.822 2.613 0 50 EFAA Cc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1 20418625 VYJVMJYIOORTMD-UHFFFAOYSA-N 336.482 2.563 0 50 EFAA O=C(NS(=O)(=O)CC1CCCC1)[C@@H]1CSc2ccccc21 118601492 YJGVCXJGPLORCK-CYBMUJFWSA-N 325.455 2.512 0 50 EFAA CCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1 23282008 SYECAFOTXUOTFC-UHFFFAOYSA-N 326.444 2.978 0 50 EFAA CC[C@@H](NC(=O)c1ccco1)[C@@H]1CN(Cc2ccccc2)CCO1 151449805 CEMPPMOXXKAHNH-AEFFLSMTSA-N 328.412 2.689 0 50 EFAA O=C(c1ccc(Oc2ccc3nncn3n2)cc1)N1CCCCCC1 61718965 RWSSQVPKLKVOQA-UHFFFAOYSA-N 337.383 2.933 0 50 EFAA Cc1ccc2c(c1C)N(C(=O)c1cn(C3CCOCC3)nn1)CCC2 333873673 PWQQMUGDEXLMGY-UHFFFAOYSA-N 340.427 2.839 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCCN(c2ncccn2)C1 20201984 CQZWDDBFEXDQFJ-AWEZNQCLSA-N 348.809 2.597 0 50 EFAA CO[C@H]1C[C@H](c2nnc([C@@H](C)Cc3cccs3)o2)N(C(C)=O)C1 328627227 FWNDLUMFMGUYQC-VHRBIJSZSA-N 335.429 2.786 0 50 EFAA COc1cc(-c2n[nH]c(=O)n2-c2ccccc2C)cc(OC)c1OC 67473308 XKRFJFJKPNWVMZ-UHFFFAOYSA-N 341.367 2.562 0 50 EFAA O=C(NC[C@@H]1CCSC1)N1CCC[C@@H](Oc2ncccc2F)C1 253426224 GCPSAMWWEKPESO-QWHCGFSZSA-N 339.436 2.527 0 50 EFAA Cc1ncc(CN2CC[C@H](NC(=O)c3cscn3)[C@H](C)C2)s1 253425403 IXZMLPORRTXYGG-MFKMUULPSA-N 336.486 2.548 0 50 EFAA CCc1nc(N[C@@H](Cn2ccnc2)C(C)(C)C)c2cnn(C)c2n1 72163200 BUVQGHKHXNCDPO-ZDUSSCGKSA-N 327.436 2.649 0 50 EFAA COCc1nc2n(n1)C[C@H](N[C@H]1CCCCc3ccccc31)CC2 124684784 VMJGYSRKBNAURE-WBVHZDCISA-N 326.444 2.797 0 50 EFAA Cc1nc[nH]c1-c1nccn1[C@H]1CCCN(C(=O)c2ccco2)C1 77438422 MRVBIJFWZQSQFD-ZDUSSCGKSA-N 325.372 2.652 0 50 EFAA O[C@]1(c2nc(-c3cc(Br)cs3)no2)CCSC1 125477889 DCLCHWUNTNPBQW-SNVBAGLBSA-N 333.232 2.885 0 50 EFAA O=C1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CN1 331521051 KHXCLILGUBSQOU-IACUBPJLSA-N 340.345 2.594 0 50 EFAA COC(=O)[C@@H](NCc1cnc2ncccn12)c1ccc2ccccc2c1 154648296 YNVMOKKNQNJRLO-SFHVURJKSA-N 346.390 2.886 0 50 EFAA COc1ncc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1Cl 367676320 VDKMYRFTEBVWJP-JTQLQIEISA-N 349.822 2.676 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)on1 71776246 ZPJGMRGIICDANV-MRXNPFEDSA-N 341.411 2.640 0 50 EFAA CC[C@@H]1CN(Cc2coc(C)n2)CCC(=O)N1Cc1ccccc1 71755379 ZBNYMTRTLURLTR-GOSISDBHSA-N 327.428 2.996 0 50 EFAA CCc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)n[nH]1 262124780 MTNDOLFYAMTDQQ-MRXNPFEDSA-N 344.484 2.818 0 50 EFAA Fc1ccc(O[C@H]2CCN(Cc3noc(C4CCOCC4)n3)C2)cc1 374616368 ZHRNRNDAMDPGOX-INIZCTEOSA-N 347.390 2.756 0 50 EFAA CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CCNC2 71746355 FSIMDUBZLYFGPV-UHFFFAOYSA-N 345.450 2.863 0 50 EFAA COc1ccccc1-n1cc(CNc2cc(C)nc3ccnn23)cn1 72436275 PMQFYGUXCAIYOV-UHFFFAOYSA-N 334.383 2.844 0 50 EFAA Cc1ccc(C(=O)CCN2CCC(CN3CCOCC3)CC2)cc1 158700118 GCQLLKXVUCGYNR-UHFFFAOYSA-N 330.472 2.612 0 50 EFAA CCn1ncnc1CN1CCCN(c2nc3ccccc3s2)CC1 216419310 AAZQVLVKYRJVPG-UHFFFAOYSA-N 342.472 2.620 0 50 EFAA O=C1[C@@H](N2CCCC[C@@H]2c2nccs2)CCN1CC(F)(F)F 239722410 CCRYSYXDVYDTER-MNOVXSKESA-N 333.379 2.833 0 50 EFAA Cn1c([C@@H]2CCCN2CC(C)(C)N2CCOCC2)nc2ccccc21 216328709 NJCCYVMCVUTWHU-SFHVURJKSA-N 342.487 2.821 0 50 EFAA COc1ccc(N[C@H]2CCCN(C(=O)C(=O)CC(C)C)C2)cc1OC 72172808 DOUCZDBLHPCVKJ-HNNXBMFYSA-N 348.443 2.722 0 50 EFAA Oc1nc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc2ccccc12 339781511 TZRANNUNEJZIEH-CZUORRHYSA-N 325.343 2.787 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2cccc(C)n2)[C@@H](C)C1 72438965 RJJFPUIALSBDOE-HNNXBMFYSA-N 325.412 2.750 0 50 EFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2nccs2)C1 72407595 KRDOMJOXNCDOMU-CQSZACIVSA-N 346.504 2.642 0 50 EFAA Cn1cc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cn1 245847276 JTMIUYRLNHRXCG-RYQLBKOJSA-N 330.476 2.738 0 50 EFAA CSCCC(=O)N1CCC(Oc2ccccc2C)(C(=O)O)CC1 72454136 YAIRXNIYXZRERJ-UHFFFAOYSA-N 337.441 2.573 0 50 EFAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccccc1-c1ccccc1)C2 221338712 WVYQDIYEHMNMNL-UHFFFAOYSA-N 345.402 2.912 0 50 EFAA CC(=O)c1c(C)nn(CCC(=O)N[C@H](C)Cc2cccc(C)n2)c1C 223711696 WEURTWWKFXEMFA-CYBMUJFWSA-N 342.443 2.543 0 50 EFAA O=C(CSc1ccncc1)NC[C@H]1CCN(C2CCCCC2)C1 223363928 IMFYSMYDHCOHMH-OAHLLOKOSA-N 333.501 2.945 0 50 EFAA Cc1nc(O)c(C(=O)NCCCn2ncc3ccccc32)c(C)c1C 426414444 PYZLCOJCBBUHIX-UHFFFAOYSA-N 338.411 2.882 0 50 EFAA O=C(NCc1ccccc1-n1cncn1)c1ccc2c(c1)CCCO2 426623154 CIBQIFQBBVRMHR-UHFFFAOYSA-N 334.379 2.522 0 50 EFAA O=C(O)Cn1ccc([C@@H]2CCCN(CC3CCC(F)(F)CC3)C2)n1 426486552 YUTOXFLMXKKHON-CQSZACIVSA-N 341.402 2.973 0 50 EFAA CCCc1cc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)n(C)n1 82121898 HZJIWFLFGBPCTG-CQSZACIVSA-N 331.420 2.760 0 50 EFAA Cc1c(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cccc1N(C)C 180114004 YFXJFOZEBFOUDV-HNNXBMFYSA-N 342.447 2.597 0 50 EFAA CO[C@@H]1CCCOC12CCN(C(=O)c1csc(C(C)=O)c1)CC2 96148454 QILZVNTUNFBQNR-OAHLLOKOSA-N 337.441 2.751 0 50 EFAA O=C1C[C@@H](Sc2ncn[nH]2)C(=O)N1c1cc(Cl)ccc1Cl 96699270 GRSLQFXFLLOBHW-SECBINFHSA-N 343.195 2.536 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 91725368 PNHNQUSFXUXTLD-FQEVSTJZSA-N 346.471 2.538 0 50 EFAA Nc1nc(CCCNC(=O)c2c[nH]nc2C2CCCCC2)cs1 91737279 IGCKMFQZORKBPF-UHFFFAOYSA-N 333.461 2.859 0 50 EFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1CCCCCN1C 95367277 FRZQUVKWRDTGLP-GOSISDBHSA-N 340.471 2.764 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc(CC(C)C)no1)C2 95503288 VFHYEZBBNUNYKR-CYBMUJFWSA-N 344.411 2.863 0 50 EFAA Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)n1 91807637 UDEARLOZNKQKQX-CQSZACIVSA-N 349.500 2.682 0 50 EFAA COc1cnc(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1O 244773954 PJIXTUFMBLIWDT-ZDUSSCGKSA-N 346.431 2.757 0 50 EFAA CCN(Cc1cn2cccc(C)c2n1)C[C@H](O)c1cccc(O)c1 244734563 NHZZKOPGNTUSMV-SFHVURJKSA-N 325.412 2.904 0 50 EFAA CC(C)(C)CNC(=O)c1ccc(C(=O)NCC2(C)CCNCC2)cc1 183356194 JMWKLMJRZZREFQ-UHFFFAOYSA-N 345.487 2.582 0 50 EFAA OCCCCCN1CCN(CCCc2c(F)cccc2F)CC1 864091468 XCJGBOURFOUPKT-UHFFFAOYSA-N 326.431 2.678 0 50 EFAA C[C@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1cccnc1 184055742 SMEPCLGKKUMKBN-HNNXBMFYSA-N 342.414 2.920 0 50 EFAA O=C(Cc1ccccc1O)N1CCC(O)(Cc2cccc(F)c2)CC1 184057868 XNAQJFXALRCCGR-UHFFFAOYSA-N 343.398 2.670 0 50 EFAA CCCN1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1=O 299790443 BHNKWJNBMIPCNT-SNVBAGLBSA-N 347.312 2.977 0 50 EFAA Cc1cc(O)nc(C)c1C(=O)N[C@@H](CCN(C)C)c1ccccc1 299760763 RFQNKQKKUWPRNA-INIZCTEOSA-N 327.428 2.827 0 50 EFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(C2(O)CC2)CC1 651783070 ONWLUPJFXYUBRC-UHFFFAOYSA-N 349.374 2.631 0 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Cc1cc(C(=O)CN2CCC(C3OCCO3)CC2)c(C)n1C1CC1 170621226 PTKVFYPQCFCTII-UHFFFAOYSA-N 332.444 2.707 0 50 EFAA CCc1cnc(NC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)s1 189042587 CGSDPZQWYROHOJ-UHFFFAOYSA-N 346.460 2.660 0 50 EFAA Cn1cnnc1C1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190041924 XFWSTCBWMPTJOF-UHFFFAOYSA-N 338.415 2.718 0 50 EFAA CC[C@H](C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccc(OC)cc1 192607961 RDLHKGRSYYTQAI-OKZBNKHCSA-N 343.427 2.569 0 50 EFAA CCOc1cccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 647220604 ZGLCENHEHAAHLC-PXNSSMCTSA-N 339.439 2.790 0 50 EFAA O=C(Nc1c[nH]nc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 774222309 CRCRPKSFVYTTFX-MRVPVSSYSA-N 339.182 2.708 0 50 EFAA Cc1cnccc1N1CCCN(C[C@H]2COc3ccccc3O2)CC1 1529134350 YIMWWHHHWVVDHN-KRWDZBQOSA-N 339.439 2.742 0 50 EFAA Cc1nc[nH]c1CN(CCO)C(=O)CCCc1c[nH]c2ccccc12 1704314957 ZNZPYAGJLMGXLX-UHFFFAOYSA-N 340.427 2.543 0 50 EFAA CCCCCCNC(=O)N1CCCN(C(=O)c2cscn2)CC1 1800414382 QEEQMOJQAAMQFG-UHFFFAOYSA-N 338.477 2.581 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H]1C1(O)CC1 1772807692 RVCNMKORIDXLQK-MRXNPFEDSA-N 326.396 2.708 0 50 EFAA COc1ccc(C(=O)CSc2nc(C)n[nH]2)cc1Br 11703817 ZOVPZPCEFNOHBA-UHFFFAOYSA-N 342.218 2.859 0 50 EFAA COC(=O)[C@@H]1CCCCN1C(=O)c1ccc2nc(C3CC3)oc2c1 11873199 DLUABBRQDFJECI-AWEZNQCLSA-N 328.368 2.873 0 50 EFAA FC(F)Oc1ccccc1CN[C@@H]1CCCN(c2ncccn2)C1 11950726 GUSPELMEUQLGOI-CQSZACIVSA-N 334.370 2.837 0 50 EFAA COc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1OC 19606711 DRZNODKILSSITQ-SFHVURJKSA-N 348.487 2.515 0 50 EFAA COc1cc(OC)c(NC(=O)c2c(Cl)cnn2C)cc1Cl 6731260 UURAUUVIQSEIQK-UHFFFAOYSA-N 330.171 2.996 0 50 EFAA CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(N)=O 6741334 XUQCBJQGEMZPCL-UHFFFAOYSA-N 348.472 2.752 0 50 EFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1=Cc2ccccc2OC=C1 219575839 CYQVHRJCMPNPGR-QKLQHJQFSA-N 348.402 3.000 0 50 EFAA O=C(Cc1cccc(F)c1F)N1CCCN([C@@H]2CCSC2)CC1 1857694092 ACXSQIMXVBNQHR-CQSZACIVSA-N 340.439 2.547 0 50 EFAA COc1cccc(CNc2ccc(CS(C)(=O)=O)c(Cl)c2)n1 225387733 TYYMSWHFFTYQAK-UHFFFAOYSA-N 340.832 2.900 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2F)nn1 643890141 XADZSFXTHHBDMX-INIZCTEOSA-N 346.381 2.727 0 50 EFAA Cc1ncc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 332826291 KPBBQIVUOKHPGT-DOTOQJQBSA-N 348.397 2.950 0 50 EFAA O=C(O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)o1 238009582 CZPKQDFZFQJEDX-UHFFFAOYSA-N 347.342 2.595 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 238071631 MKQLOXPWYQTWLK-UPJWGTAASA-N 338.201 2.628 0 50 EFAA O=C(c1ccc(O)nc1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 655127234 VLKVJHMUAVTXEM-LBPRGKRZSA-N 344.333 2.608 0 50 EFAA CN1CC[C@H](Nc2ncnc3c2cnn3C)[C@@H]1c1ccc(Cl)cc1 245543327 AJRRSKGGNFXEFR-GJZGRUSLSA-N 342.834 2.874 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccn(C2CCCC2)n1 262101083 HLSVQIZLQLTNGW-KRWDZBQOSA-N 339.395 2.650 0 50 EFAA CCCOCC(=O)N[C@H](CC(=O)O)c1cccc(Br)c1 262589350 HJIFOZTWMMQHBP-GFCCVEGCSA-N 344.205 2.508 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2conc2C2CC2)C1 378137386 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2.977 0 50 EFAA C[C@@H](NC(=O)[C@H](O)C(C)(C)N)c1ccc(-c2ccc(F)cc2)cc1 2325801816 XOMLDOIRIAKHLB-PXAZEXFGSA-N 330.403 2.768 0 50 EFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)Oc1ccccc1 177895 RWCHTFJNULANOG-UHFFFAOYSA-N 326.352 2.770 0 50 EFAA O=C(O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 330528 COABXVKHBUGGKH-UHFFFAOYSA-N 336.731 2.989 0 50 EFAA C[C@@H]1CN(C(=O)c2cccc(I)c2)C[C@@H](C)O1 447541 DICHHKKXAAKIAW-NXEZZACHSA-N 345.180 2.541 0 50 EFAA COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 1061652 VVIDJFYJXNVYEH-ZDUSSCGKSA-N 339.347 2.719 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(Cl)c2F)CC[C@H]1O 2356161058 DTLUPLMKPHPOPK-MLGOLLRUSA-N 343.782 2.557 0 50 EFAA CCOCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1 55393462 DYFJISRRJOMJLQ-UHFFFAOYSA-N 339.867 2.847 0 50 EFAA c1ccc2c(OCCCCNCCN3CCOCC3)cccc2c1 20500049 LJDHOANFRUXOCX-UHFFFAOYSA-N 328.456 2.921 0 50 EFAA O=C(O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)n1 345794574 IHRCLEJEODKJAE-ZDUSSCGKSA-N 338.285 2.683 0 50 EFAA Cc1cc(C)c(C)c(C(=O)N2CCC(O)(CN3CCCC3)CC2)c1C 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UUPYHRUMWHKCTO-JJHDRXPHSA-N 329.263 2.862 0 50 EFAA COC(=O)c1cccc(OCc2noc([C@H]3CCO[C@H]3C(C)C)n2)c1 252498689 RIPMBYPZPQFZBB-HOCLYGCPSA-N 346.383 2.964 0 50 EFAA COc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2nccn2C)cc1C 67561036 FIWSSAYJCZMGFK-LJQANCHMSA-N 337.427 2.608 0 50 EFAA CCc1cc(-c2cccc(NC(C)=O)c2)nc(N2CCOCC2)n1 65394526 ITKGFTZCKYQYPT-UHFFFAOYSA-N 326.400 2.501 0 50 EFAA Cc1cc(Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)on1 429849003 QXJLNYJJFACMKP-UHFFFAOYSA-N 331.763 2.837 0 50 EFAA CCc1nc([C@H](C)NC(=O)c2cnc(C3OCCO3)s2)cs1 253404070 CWDLSHLLBNLZPQ-QMMMGPOBSA-N 339.442 2.698 0 50 EFAA COc1cc(OC)c(NC(=O)N2CCC(c3c[nH]cn3)CC2)cc1F 253429637 UILXGGGXVZADQE-UHFFFAOYSA-N 348.378 2.978 0 50 EFAA COCCn1ccc(C(=O)N2C[C@H](C)C[C@H]2c2ccc(OC)cc2)n1 253429753 UNZOWDIIIMUMHI-KDOFPFPSSA-N 343.427 2.761 0 50 EFAA O=C(O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 966687 NVOHFXNOVOOOKR-WEVVVXLNSA-N 342.170 2.570 0 50 EFAA CCN(C)C(=O)c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc1 71776682 HAYUWVNJGUNCNL-QGZVFWFLSA-N 343.402 2.891 0 50 EFAA 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2.654 0 50 EFAA CCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)Nc2ccc(OC)cc21 92028293 KEMUCJVGPDHWGZ-MRXNPFEDSA-N 339.395 2.565 0 50 EFAA OC1CCN(CCOc2ccc(Br)cc2Cl)CC1 230555290 YSSSNYGCQTYKQJ-UHFFFAOYSA-N 334.641 2.938 0 50 EFAA COCC[C@@H]1CN(Cc2ccc3c4c(cccc24)C(=O)OC3)CCO1 244594122 DGTHZSKDAICBFP-MRXNPFEDSA-N 341.407 2.748 0 50 EFAA C[C@H](O)[C@H]1CCCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 245343923 WMLKZBPYNRHQGQ-MKBNYLNASA-N 340.826 2.677 0 50 EFAA O=C(NC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1)c1ccccc1 531381493 UAMRPDNDJWZGJT-CQSZACIVSA-N 335.411 2.604 0 50 EFAA CN1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2 299800771 VNWMMUCXYHCWGF-IBGZPJMESA-N 336.435 2.685 0 50 EFAA CC(C)c1noc(C2CCN(C(=O)CCCn3cccn3)CC2)n1 584898435 KVHHKEGLWCZVGO-UHFFFAOYSA-N 331.420 2.576 0 50 EFAA COc1ccc(-n2nc(C3CC3)nc2CN2CCCCC2=O)cc1 824698943 WOUGDGDEGMTJCV-UHFFFAOYSA-N 326.400 2.666 0 50 EFAA O=C1C[C@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C2(CCCCC2)O1 670442825 VBOGXNOZOUCPGZ-GFCCVEGCSA-N 345.374 2.584 0 50 EFAA 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C[C@@H](O)c1cccc(N2CCCN(C(=O)c3ccccc3F)CC2)n1 891710448 NOIOLWUPLGBRIW-CQSZACIVSA-N 343.402 2.627 0 50 EFAA CCOC1CC2(CCN(c3nnnn3Cc3cccc(Cl)c3)C2)C1 1771985750 USSGOJCKDJIZFN-UHFFFAOYSA-N 347.850 2.770 0 50 EFAA Cc1cc2c(c(NC(=O)[C@@H]3CCC=CCCC3)nn2C)c(=O)n1C 1775994503 WRDVUZQIHQZFCK-CYBMUJFWSA-N 328.416 2.655 0 50 EFAA O=C(CCOc1cccc(Cl)c1)Nc1c[nH]nc1[C@@H]1CCNC1 1775961113 WNVAVGHBEWYLOA-LLVKDONJSA-N 334.807 2.548 0 50 EFAA CC(C)Nc1ccc(-c2noc(Cc3nc(C4CC4)nn3C)n2)cn1 1338363143 OWRQFEJRIVNSPJ-UHFFFAOYSA-N 339.403 2.549 0 50 EFAA COCCOc1ccc(CN[C@H]2CCc3ccc(OC)cc3C2)cn1 170688901 QRCVYHNTAIMPBU-SFHVURJKSA-N 342.439 2.763 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@H]1N1CCOCC1 281410112 HTWQGLIIVABBHT-IFXJQAMLSA-N 342.414 2.772 0 50 EFAA CCOc1ccc(C(=O)N2CCC(Nc3nnc(C)s3)CC2)cc1 301374684 VVWZVWPOXRNUOZ-UHFFFAOYSA-N 346.456 2.962 0 50 EFAA CC(C)(C(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1F 188733644 RJAAVBBNQGPFEB-UHFFFAOYSA-N 349.793 2.907 0 50 EFAA CCOC(=O)[C@H](C)[C@@H](C)Nc1ccc2nnc(-c3ccsc3)n2n1 225514533 ATXVKEVFQRVLNU-GHMZBOCLSA-N 345.428 2.852 0 50 EFAA COc1cccc2c1OC[C@H](NC(=O)c1cc3sccc3[nH]1)C2 192052094 OHEXSKJMEUMJGT-LLVKDONJSA-N 328.393 2.972 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnn4ncccc34)cc2)n1 765217889 LAHGLGZPKOZLDB-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@@]1(C)CCN(C)C1 1506427610 RGTRAPUYLKNSOI-FQEVSTJZSA-N 345.487 2.768 0 50 EFAA Cc1cccnc1NCCNc1cc(C(=O)N2CCCCC2)ccn1 1529106365 NKIURRBZYHXLSX-UHFFFAOYSA-N 339.443 2.935 0 50 EFAA COc1ccnc(C(=O)N2CCC3(CC2)OCCc2sccc23)c1 1704343481 CKWHSJPEAKSWMI-UHFFFAOYSA-N 344.436 2.856 0 50 EFAA C[C@]1(O)CCOC2(CCN(Cc3cccc(O)c3Cl)CC2)C1 1704336852 SHVVCVGZENZEMN-INIZCTEOSA-N 325.836 2.942 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)o1 1704298638 JPMDKEGZXFGTAM-UHFFFAOYSA-N 345.420 2.714 0 50 EFAA CCCC[C@H]1CN(c2ccc(CNC(C)=O)cn2)C[C@@H](C2CC2)O1 1615739926 OTWYZZUPLPNFIF-ROUUACIJSA-N 331.460 2.892 0 50 EFAA C[C@@H]1CCCCN1C1CN(c2nnc(CSc3ccncc3)o2)C1 1772706428 SABHCYSLZUSRQI-CYBMUJFWSA-N 345.472 2.820 0 50 EFAA O=C(c1onc2ncccc12)N1CCCC[C@@H]1CCn1ccnc1 1775983707 RURLXUWNAUJJKX-CYBMUJFWSA-N 325.372 2.504 0 50 EFAA CSCC(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 11785823 VIQQUTOYYUAURW-AWEZNQCLSA-N 328.437 2.840 0 50 EFAA COC1CCN(C(=O)c2coc(COc3cccc(F)c3)n2)CC1 12191944 BMQJJTMWLGHCCH-UHFFFAOYSA-N 334.347 2.644 0 50 EFAA CS(=O)(=O)Nc1ccccc1C(=O)N1CCCc2ccccc21 13668982 VDZRKXHXILJXMU-UHFFFAOYSA-N 330.409 2.651 0 50 EFAA CCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 15073726 LMERJTQPDOVZHQ-IBGZPJMESA-N 348.418 2.585 0 50 EFAA NC(=O)c1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl 16578466 USUWJOXIFFBRBV-UHFFFAOYSA-N 342.779 2.520 0 50 EFAA CN1CCC(N2CCC[C@H](C(=O)NCCCC3CCCC3)C2)CC1 19222605 DKHBSYPLWMBDOU-SFHVURJKSA-N 335.536 2.879 0 50 EFAA CCOC(=O)N(C)c1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1 2900756 ZGRXGRBZRPCWTD-AWEZNQCLSA-N 349.305 2.592 0 50 EFAA CC=CCS(=O)(=O)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 1857530921 CLCNLLSEHSUZJW-AWEZNQCLSA-N 329.849 2.898 0 50 EFAA CC(C)c1noc(C2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)n1 1857671344 GACLOFAYXSGLMB-MRXNPFEDSA-N 348.491 2.674 0 50 EFAA CN(C)C(=O)[C@H]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)C1 413941715 VIOXUGMGEVIRAW-AWEZNQCLSA-N 334.847 2.599 0 50 EFAA Cc1cc(NC(=O)CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)no1 230135224 AJHGKXBCCKRKPR-RVZJWNSFSA-N 329.400 2.772 0 50 EFAA CN1CCO[C@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 230205022 QLBZIXVYECQTOX-GJZGRUSLSA-N 342.361 2.603 0 50 EFAA Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)nn1C(C)C 448578201 GBRYLXNMMHSGDI-CQSZACIVSA-N 329.400 2.684 0 50 EFAA Cc1onc(N)c1S(=O)(=O)N1CCCCc2cc(Cl)ccc21 657186540 AHJGTQLGTJKOBT-UHFFFAOYSA-N 341.820 2.750 0 50 EFAA Cc1cc(NS(=O)(=O)c2cccc(Cl)c2O)ccc1C(=O)O 339209503 DNMCHEBSPLCDEF-UHFFFAOYSA-N 341.772 2.853 0 50 EFAA CC(=O)N(C)Cc1cn(CCc2cc(Cl)cc(Cl)c2)nn1 900570627 TUCPIHXPTYTUAG-UHFFFAOYSA-N 327.215 2.806 0 50 EFAA O=C(c1nc(-c2ccccc2)ns1)N1CC[C@]2(CCCOC2)C1 902932727 FHNPNNBJLLCQHR-QGZVFWFLSA-N 329.425 2.848 0 50 EFAA CN1C[C@@H]2[C@@H](CCCN2C(=O)Nc2nc(C(C)(C)C)cs2)C1=O 929276674 BXBBWHSBAREVJE-GHMZBOCLSA-N 336.461 2.525 0 50 EFAA O=C(c1cc(O)ncc1Br)N(CC1CC1)CC1CC1 932939338 VGUHBUOAXGRKKH-UHFFFAOYSA-N 325.206 2.812 0 50 EFAA O=C(O)CN1C(=O)S/C(=C\c2ccccc2Br)C1=O 966700 CZETZIWZPIOKOY-UITAMQMPSA-N 342.170 2.570 0 50 EFAA CCc1ccc(C(=O)OC)cc1NC(=O)[C@@H](N)CCC(F)(F)F 2325775013 RLSYKGRVYGBICW-NSHDSACASA-N 332.322 2.644 0 50 EFAA Cc1cn2cc(-c3ccnc(N4CCN(C)CC4)c3)cc(F)c2n1 2325787213 KBSMUXINSLIKRH-UHFFFAOYSA-N 325.391 2.596 0 50 EFAA O=C(O)C[C@H]1CN(Cc2cccc(-c3ccc(F)cc3)n2)CCO1 2325788311 XXUNZQUWVWPHMY-INIZCTEOSA-N 330.359 2.563 0 50 EFAA O=C(c1nccn2ccnc12)N1CCC[C@H]1c1cc(F)ccc1F 2325818525 HLGSVXHIVHTOLY-AWEZNQCLSA-N 328.322 2.985 0 50 EFAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(O)nc(CC(C)C)c1 133683938 QOGHFJSLABEOIT-UHFFFAOYSA-N 331.372 2.661 0 50 EFAA C[C@H](C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 80159 KWDWLDLPDOSPCZ-GFCCVEGCSA-N 336.388 2.619 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1 308685 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0 50 EFAA COc1cccc2c1OCCCN(C(=O)Nc1nc(C)ns1)C2 63833274 XPIGYRQAXVEGFD-UHFFFAOYSA-N 334.401 2.672 0 50 EFAA O=C(CCNCc1c[nH]nc1-c1ccc(F)cc1)Nc1cccnc1 67868939 QTMZMSYMYCDPIX-UHFFFAOYSA-N 339.374 2.729 0 50 EFAA CC(C)(N)C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 67724453 UVENOTBKNOTVMZ-UHFFFAOYSA-N 330.407 2.659 0 50 EFAA CCN1CCC[C@@H](CN(C)[C@H](C)c2nnc(C)o2)[C@@H]1c1cnn(C)c1 328623903 CCOJGMPKLRIGQV-UKPHBRMFSA-N 346.479 2.578 0 50 EFAA CN(C)c1cccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 333562811 LEPXXYIQXRKMNQ-KRWDZBQOSA-N 344.459 2.961 0 50 EFAA O=C(O)CN(CC(=O)NCCc1ccccc1Cl)c1ccccc1 34926522 QFHWLYJGURAOQV-UHFFFAOYSA-N 346.814 2.590 0 50 EFAA CCc1c(C)sc(NC(=O)CC(C)(C)CC(=O)O)c1C(N)=O 2755096 PBISQRIJPDDRGC-UHFFFAOYSA-N 326.418 2.547 0 50 EFAA Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](O)Cc1ccccc1)CCC2 253430371 YZNQBIHQAGNIRC-HOTGVXAUSA-N 330.453 2.891 0 50 EFAA O=C1C[C@H](NCc2ncnn2-c2ccccc2)CCN1c1ccccc1 253428144 CBNYDTIEERRVEZ-MRXNPFEDSA-N 347.422 2.553 0 50 EFAA CCc1nccn1CCC(=O)N1CCCOc2c(cccc2OC)C1 215232377 XEUROHZPRVTAEP-UHFFFAOYSA-N 343.427 2.656 0 50 EFAA O=C(c1nnc2ccccc2n1)N1CCC(Cc2cccnc2)CC1 365640865 CNYCHXXAHTXCKM-UHFFFAOYSA-N 333.395 2.515 0 50 EFAA Cc1cscc1CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 370092874 GZNXUXPADHDBLJ-OAHLLOKOSA-N 345.472 2.657 0 50 EFAA COc1ccc(C(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1 30765883 GCPRDYBRWWYEGO-UHFFFAOYSA-N 326.396 2.968 0 50 EFAA O=C(NCCc1noc(C2CCCC2)n1)[C@@H]1CCc2ccccc2O1 218981487 MOAPQIZZNTZDPY-INIZCTEOSA-N 341.411 2.780 0 50 EFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cnc2c(c1)CCCC2 216117332 ZHYZPUNAINASRB-GOSISDBHSA-N 325.412 2.815 0 50 EFAA O=C1C[C@H]([C@@H]2CCCCN2C(=O)CCn2ccc3ccccc32)CN1 131152661 WTHGQACXRCMNMX-WMZOPIPTSA-N 339.439 2.549 0 50 EFAA CC1=CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 241630829 PLRUAQOVLRDYCG-QGZVFWFLSA-N 327.428 2.712 0 50 EFAA NC(=O)CC1CN(C(=O)c2ccc3c(Br)cccc3c2)C1 242048132 VTAUNSPEMMEMTF-UHFFFAOYSA-N 347.212 2.550 0 50 EFAA CCn1c(N)nc2cc(C(=O)NCc3ccccc3Cl)cnc21 77504704 FPMVCMMXAQRDQK-UHFFFAOYSA-N 329.791 2.617 0 50 EFAA 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344.434 2.845 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=CCC4(CCOCC4)C3)n[nH]c21 1875404459 JNVHJZGGYRTWRO-KGLIPLIRSA-N 345.443 2.631 0 50 EFAA Cc1ccc2[nH]nc(C(=O)NC3(C)CCC4(CC3)OCCO4)c2c1 1875274723 UPRWGVAICASLGF-UHFFFAOYSA-N 329.400 2.677 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccncc4)CC3)n[nH]c21 1875293602 WIXWBJIFUPDUNQ-OLZOCXBDSA-N 340.427 2.847 0 50 EFAA CCCCN1C(=O)[C@]2(NC3(CCCCC3)C(=O)N2C)c2ccccc21 1875253566 HKXNLYIIVLDAFT-FQEVSTJZSA-N 341.455 2.751 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CCCN(C)C)CC3)n[nH]c21 1875393502 HJSLYRSXDMQXQI-KGLIPLIRSA-N 348.491 2.626 0 50 EFAA Cc1nnsc1C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 952966053 BRANZUXNZDRZCJ-OAHLLOKOSA-N 347.440 2.547 0 50 EFAA CC1CCN(S(=O)(=O)N(C)Cc2cccc3cnccc23)CC1 952981761 ILMHOQQSHPWVNT-UHFFFAOYSA-N 333.457 2.643 0 50 EFAA CN1C(=O)CC[C@H](CN[C@H]2CCCc3occc32)[C@H]1c1nccn1C 886080009 JKORBKUFIAKHDT-XUWXXGDYSA-N 342.443 2.590 0 50 EFAA CCOc1ccc(CN2CCCN(C(=O)C3CCC3)CC2)cc1OC 1204359183 PZFIQRHWKHUMJN-UHFFFAOYSA-N 346.471 2.928 0 50 EFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1ncnc2n[nH]cc12 1337981345 ANSSDLHKILHIER-LLVKDONJSA-N 344.369 2.736 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc2ccc(C)cc2n1C 1565511044 RDAFPIHTFGEFCK-WBVHZDCISA-N 339.439 2.570 0 50 EFAA CCCCN1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1434480087 FEZXGNBFVFFIRA-GOSISDBHSA-N 334.464 2.904 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)NCC[C@H]1C(=O)Nc2ccccc21 273442080 DGHURYZSBKMWAC-CYBMUJFWSA-N 325.368 2.716 0 50 EFAA CC1(C)CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[C@H]1O 275857819 LZRPWDAQXSLVIW-SNVBAGLBSA-N 338.458 2.891 0 50 EFAA O=C(NCCC[C@H]1CCCCO1)N1CCN(c2ccccc2)CC1 186599666 PIYZDEGVUDVQJP-GOSISDBHSA-N 331.460 2.868 0 50 EFAA O=C(CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cn1 281238849 CUSFIIJPHHZEJY-KFWWJZLASA-N 337.851 2.689 0 50 EFAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 281766471 IRELANSYNNWRMV-ZUZCIYMTSA-N 341.386 2.648 0 50 EFAA CC(C)n1ccc(=O)nc1S[C@H]1CCc2ccccc2NC1=O 187989803 QHTVFQVNRCPFBS-AWEZNQCLSA-N 329.425 2.870 0 50 EFAA CSC[C@H]1CCCN1C(=O)c1ccc(Br)cc1N 188401009 DVDBWVLXDVFMAH-SNVBAGLBSA-N 329.263 2.999 0 50 EFAA Cc1nc([C@@H]2CCCCN2Cc2cc(-c3cnn(C)c3C)no2)n[nH]1 408473324 NFACFZDLLYJLOA-INIZCTEOSA-N 341.419 2.537 0 50 EFAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)nc1C 412384880 QAZQXUVZGRVVCT-APWZRJJASA-N 328.387 2.639 0 50 EFAA CC(C)CNC1(CO)CCN(Cc2cccc3ncccc23)CC1 639665039 WVINPLAQVFNBGF-UHFFFAOYSA-N 327.472 2.807 0 50 EFAA Cc1ccn2cc(C(=O)N3C[C@H](O)C[C@H]3c3cccc(F)c3)nc2c1 225681711 KOKYOACOCHGWTE-WBVHZDCISA-N 339.370 2.730 0 50 EFAA O=C(c1c(O)cnc2ccc(F)cc12)N(C[C@@H]1CCOC1)C1CC1 225802115 WGUHFNWXPWFJMT-NSHDSACASA-N 330.359 2.721 0 50 EFAA CCC1(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 190723177 RCYXKGZYNOPLJJ-QGZVFWFLSA-N 330.476 2.735 0 50 EFAA CCNc1ccc(Cl)cc1C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 191050080 OYTVTHREDWGSMJ-ZDUSSCGKSA-N 337.851 2.712 0 50 EFAA CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 646019848 HPGXXCXZDRCXGX-DLBZAZTESA-N 345.420 2.703 0 50 EFAA 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328.180 2.975 0 50 EFAA C[C@@H](NC(=O)C[C@@]1(C)CCCO1)c1ccc(N2CCCC2=O)cc1 2325776243 GLYQWGAPEDUNFB-AUUYWEPGSA-N 330.428 2.950 0 50 EFAA CCc1oc2ccccc2c1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 2325777073 AAXYNJLUPRATOW-ORAYPTAESA-N 329.396 2.918 0 50 EFAA COCc1ccccc1/C=C(\C)CNC12CC(C)(C1)OC21COC1 2325779481 IMMREDGIVVIZTJ-OVCLIPMQSA-N 329.440 2.916 0 50 EFAA CC(C)(C)c1ccnc(CN2CCC[C@@H](n3cc(C(=O)O)nn3)C2)c1 2325792061 ZGDRHHQIBVQRCC-OAHLLOKOSA-N 343.431 2.506 0 50 EFAA COc1ccc2sc(-c3nccc(N4CC[C@@H](N)C4)n3)cc2c1 2325796860 XNUBRHLJNXYITN-GFCCVEGCSA-N 326.425 2.904 0 50 EFAA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@@H](c3ccccc3)C1)CCC2 2325806013 MBQJUWTTZHUNFQ-NVXWUHKLSA-N 325.412 2.738 0 50 EFAA CCOC(=O)C1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1 176258 HJCKSXVTNQDGGU-UHFFFAOYSA-N 340.370 2.569 0 50 EFAA COc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1 200068 VCPYKRXTZIABJJ-UHFFFAOYSA-N 342.447 2.971 0 50 EFAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356162691 PBQWASMJPNGHJM-LBPRGKRZSA-N 348.410 2.649 0 50 EFAA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)NC3)cc1OC 3878776 IMUSWTWNXRSNCJ-GOSISDBHSA-N 337.379 2.666 0 50 EFAA CCc1ncsc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(OC)c1 282511182 NXCMHMFWSIWOIC-IUODEOHRSA-N 332.425 2.662 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 247756214 XJAXWLAMZPUADK-XOKHGSTOSA-N 346.858 2.961 0 50 EFAA Fc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1 9059923 ZHWSEXJPODYRQQ-UHFFFAOYSA-N 326.360 2.970 0 50 EFAA OCC[C@@H]1CN(CCc2ccccc2)CCN1Cc1cccs1 20598656 CXDVBYDPZQONAT-GOSISDBHSA-N 330.497 2.859 0 50 EFAA CCc1ccc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cn1 348169525 AOAGQHNARKPHBM-GOSISDBHSA-N 343.475 2.822 0 50 EFAA Fc1cccc([C@@]2(CNCCc3n[nH]c4c3CCCC4)CCOC2)c1 20999070 FGEUIETXJINKCO-HXUWFJFHSA-N 343.446 2.918 0 50 EFAA CCc1ncc(CN2CC[C@@H](CNC(=O)C3CCCCC3)C2)cn1 67588283 JSGUAIJPUYONGI-HNNXBMFYSA-N 330.476 2.557 0 50 EFAA CC(C)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)cc(O)n1 330712311 VOVXHFYWXHPTKH-UHFFFAOYSA-N 345.468 2.930 0 50 EFAA O=C([C@@H]1CCCN1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 67973838 IZQQPMZCALSMJC-KRWDZBQOSA-N 342.418 2.674 0 50 EFAA O=C(c1ccccn1)N1CCc2[nH]nc(COc3ccccc3)c2C1 23368244 RNWPBHCXIUKEDD-UHFFFAOYSA-N 334.379 2.582 0 50 EFAA COC(=O)c1cnc([C@@H](C)NC(=O)CCc2ccccc2OC)s1 424991964 GDVVJRTUWMWWFI-LLVKDONJSA-N 348.424 2.748 0 50 EFAA Cc1nnc(SCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)o1 67723408 WVIOLSDFZVKJOV-UHFFFAOYSA-N 346.387 2.675 0 50 EFAA Cc1ccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)cc1 1398366 DJYGYJZNSZPICF-CMDGGOBGSA-N 331.393 2.814 0 50 EFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 253393050 PITFPKGWCOUIEA-ZQIUZPCESA-N 344.455 2.741 0 50 EFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(C)=O)cc1OC 6905970 IDEGRGBZSKVKAN-UHFFFAOYSA-N 335.381 2.707 0 50 EFAA Cc1nnc([C@H]2COCCN2C(=O)CCCc2ccc(C)s2)o1 328615220 YBZHVAMIJSJVRF-CQSZACIVSA-N 335.429 2.671 0 50 EFAA O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](Cn2cncn2)C1 127019173 QPGUMAVVTZQMHJ-INIZCTEOSA-N 335.411 2.621 0 50 EFAA CCCS(=O)(=O)c1ccccc1-c1nc(C2(N)CCCC2)no1 261875633 VSHIXUGPQWHMQH-UHFFFAOYSA-N 335.429 2.648 0 50 EFAA Cc1nc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)c2sccc2n1 1565530140 HRDXRIXPSYUMLS-ATGSNQNLSA-N 330.457 2.663 0 50 EFAA C[C@H]1CN(C(=O)Cc2noc([C@@H]3C[C@H]3C3CCCCC3)n2)C[C@@H](C)O1 333203642 OFAGXSMWGQAJDG-LQKXBSAESA-N 347.459 2.932 0 50 EFAA CC(C)(C)c1nc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)cs1 333503260 HZUVKOOVMAAQKY-JTQLQIEISA-N 335.433 2.632 0 50 EFAA Cc1csc(S(=O)(=O)Cc2csc([C@@H]3CCCO3)n2)n1 133632462 RAFPSCGIRBMKHJ-JTQLQIEISA-N 330.456 2.733 0 50 EFAA Cn1ccnc1[C@H]1CNCCN1C(=O)/C=C/c1cccc2ccccc12 375058165 GQWXGBSNIMKGOZ-JBVUFVISSA-N 346.434 2.760 0 50 EFAA O=C(N[C@H]1CC[C@H]1NC1CCCCC1)c1ccc(-c2nc[nH]n2)cc1 72407420 ZALGMDOCVMETJO-SJORKVTESA-N 339.443 2.655 0 50 EFAA CN(Cc1csc(-c2ccccc2)n1)Cc1cc2n(n1)CCNC2 72148693 LYSBFPBOSJWDIU-UHFFFAOYSA-N 339.468 2.742 0 50 EFAA O=C(c1cc(O)c2ccccc2n1)N1CCC[C@@H](N2CCCC2)C1 72132913 IZCFUDZHGCRYNQ-CQSZACIVSA-N 325.412 2.641 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 452866703 BGUKMVBXDKKQGR-VNTMZGSJSA-N 345.398 2.943 0 50 EFAA CCOC[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 175962289 PFPJZFFLAHRRDK-RBUKOAKNSA-N 345.487 2.719 0 50 EFAA Cn1ncnc1[C@@H]1COCCN1Cc1csc(-c2ccccc2)n1 342123762 HJHZNBJKOWJVRW-HNNXBMFYSA-N 341.440 2.512 0 50 EFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1NCC(F)F 497316556 UEXXNLKQIOFQJW-FRRDWIJNSA-N 334.407 2.646 0 50 EFAA O=C(NCCc1cscn1)Nc1cc2c(cc1Cl)OCO2 178552726 LPHGXHQDDNVFDG-UHFFFAOYSA-N 325.777 2.889 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)c1csc(Cc2ccccc2)n1 85479547 FMLCICQFFYEDCZ-CYBMUJFWSA-N 338.436 2.885 0 50 EFAA Cc1ccc2nc(CNC(=O)N3CC[C@H](N4CCCCC4)C3)[nH]c2c1 426492740 DKTUXQNLDQCVDC-HNNXBMFYSA-N 341.459 2.641 0 50 EFAA COC[C@@H](O)CSc1nccn1-c1ccc(Br)cc1 180644196 GXWBZUFCGCTIIV-GFCCVEGCSA-N 343.246 2.734 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)CCc1scnc1C)C2 95507068 AQJUYNNFAWQNTA-CYBMUJFWSA-N 346.452 2.760 0 50 EFAA Cc1nc(-c2c(C)noc2C)sc1C(=O)N(C)CCN(C)C1CC1 295075769 WZLUWBWOIDNNMN-UHFFFAOYSA-N 348.472 2.890 0 50 EFAA COc1ccc(C)c(NC(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c1 96166372 OCAQEBFIDCRUSZ-MRXNPFEDSA-N 349.475 2.560 0 50 EFAA CCN1C[C@H](C(=O)NCCCSc2ccc(Cl)cc2)CC1=O 95368143 HTZGIPIUNOFPMI-GFCCVEGCSA-N 340.876 2.807 0 50 EFAA O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H]1COC2(CCCC2)C1 96136952 ZYMMWAFRHFYEBT-AWEZNQCLSA-N 345.399 2.866 0 50 EFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 95375326 HRHNNOSNNWXBRL-HXUWFJFHSA-N 346.434 2.545 0 50 EFAA Cc1ccc2nc(C(=O)N3C[C@@H]4C[C@H]3CN4Cc3ccccc3)cn2c1 91907605 FSTMIFSUUPPHFN-ROUUACIJSA-N 346.434 2.742 0 50 EFAA COc1cc2c(cc1OC)CN(C[C@H](O)CO[C@H]1CCC[C@@H]1C)CC2 244673993 HZKWJLGDBRNGQP-WBAXXEDZSA-N 349.471 2.628 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1CCC(=O)O 299744783 PWLUPWMLSHRYLY-MRXNPFEDSA-N 349.475 2.944 0 50 EFAA Cc1ccc(N[C@](C)(C(=O)NCCn2cncn2)c2ccccc2)cc1 534589488 BNFIGXXMPXJEAO-FQEVSTJZSA-N 349.438 2.730 0 50 EFAA Cc1nccn1CC1(CNC(=O)N(C)Cc2cnn(C(C)C)c2)CC1 534582580 IKMBYCSEOANQQA-UHFFFAOYSA-N 344.463 2.591 0 50 EFAA CCOCCN(C)C(=O)N[C@@H](C)c1cnn(-c2ccccc2F)c1 534647944 JSFQYHAXADSZTH-ZDUSSCGKSA-N 334.395 2.750 0 50 EFAA Cc1cc(S(=O)(=O)n2cncn2)c(C(C)C)cc1Br 261490618 PASCTJRLYYPBNI-UHFFFAOYSA-N 344.234 2.709 0 50 EFAA COc1coc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1=O 370536919 YKBYPDOXILSDJQ-CQSZACIVSA-N 327.380 2.914 0 50 EFAA COCCN1CCC[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 824413171 QEVSNRTUIYSHMS-SFHVURJKSA-N 345.487 2.579 0 50 EFAA CCOc1ncccc1C(=O)N[C@H](C)CN1CCc2ccccc2C1 823405618 PRSHADDCBMIBKP-OAHLLOKOSA-N 339.439 2.657 0 50 EFAA C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1cn[nH]c1 270284899 MSTMFVVEBOONSF-CYBMUJFWSA-N 347.850 2.652 0 50 EFAA O=C(CCOc1ccccc1)NCc1nnc(C(F)(F)F)s1 1875330598 UZYYNCGNOCECFC-UHFFFAOYSA-N 331.319 2.642 0 50 EFAA C[C@H]1CN(c2ccc(C(=O)Nc3cccc(F)c3)cn2)C[C@@H](C)N1 1875324001 YCPMXULNZZLBDA-BETUJISGSA-N 328.391 2.660 0 50 EFAA COc1c[nH]nc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 1300168061 KYQBZQJVMHRQFW-UHFFFAOYSA-N 336.351 2.668 0 50 EFAA CCc1nc(C)sc1CNC(=O)c1ccccc1N1CCOCC1 952974147 BFTCAFYEITVOOD-UHFFFAOYSA-N 345.468 2.781 0 50 EFAA O=C1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3o2)N1 888093773 PXXOVTZTXHCQTO-HZPDHXFCSA-N 349.390 2.506 0 50 EFAA CCS(=O)(=O)c1ccc([C@H](C)Nc2nccn3cncc23)cc1 893745484 VSTKGHUPXOQQMH-LBPRGKRZSA-N 330.413 2.696 0 50 EFAA Cc1nn(C)c(C)c1CNC(=O)Nc1ccncc1Br 272663931 IJYLYKBWTCVCOK-UHFFFAOYSA-N 338.209 2.516 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 277040799 PCHGIKGTYPPKKY-VZDIDWBNSA-N 332.444 2.533 0 50 EFAA O=C(c1ccncc1Cl)N1CCC(Oc2ncccc2F)CC1 278504990 IUROXVMQOWIHPQ-UHFFFAOYSA-N 335.766 2.953 0 50 EFAA CSC[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 170591159 BSLCWMABMIIVID-GWCFXTLKSA-N 343.290 2.660 0 50 EFAA O=C(NCCn1c(S)nnc1C1CC1)c1sccc1C1CC1 170636073 NEJMMNOQYVTEBM-UHFFFAOYSA-N 334.470 2.813 0 50 EFAA O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H]1CCCC1=O 190029589 MSQFNDVCKXPIPM-AWEZNQCLSA-N 340.379 2.738 0 50 EFAA CN(Cc1nc(C(C)(C)C)no1)[C@@H]1CCN(Cc2ccccc2)C1=O 191765568 KOWPUNDOADNBPV-OAHLLOKOSA-N 342.443 2.600 0 50 EFAA COC(=O)Cc1ccccc1NC(=O)C(F)(F)c1ncccc1C 192673639 YGORKKGSYVNQSW-UHFFFAOYSA-N 334.322 2.836 0 50 EFAA CCN(c1ccc(NC(=O)c2cnc(C(=O)OC)cn2)cc1)C(C)C 770468145 FECMPTDXRVHIJX-UHFFFAOYSA-N 342.399 2.750 0 50 EFAA CC(C)CCN(C)C(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1529169291 TXKBOPTUNPLAMP-MOPGFXCFSA-N 346.471 2.868 0 50 EFAA COCCN1CCC[C@H](CNc2ccc(-c3ccccc3)nn2)C1 1529114588 QMLBXMDTQCRBRL-MRXNPFEDSA-N 326.444 2.914 0 50 EFAA COc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1OC 1529098373 BXBVYDKWQYWMLO-WNKDZCFJSA-N 346.471 2.895 0 50 EFAA Cc1nc(N2CCC(CCC(=O)Nc3ccccc3)CC2)n(C)n1 1704300543 YJOLPRRALRXCCF-UHFFFAOYSA-N 327.432 2.759 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3cccnc3)C1)CC2 1704303240 XIUJDNIDVVJVEG-FQEVSTJZSA-N 336.439 2.619 0 50 EFAA Cc1ccc2c(C(=O)NC[C@@H]3CCN(C4CCCC4)C3)cnn2c1 1772708595 ISDPXYSNAHYBCY-HNNXBMFYSA-N 326.444 2.637 0 50 EFAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC(C)CC2)nc1 11664148 UMSFIWSPJIQDGE-UHFFFAOYSA-N 341.459 2.714 0 50 EFAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)c1ccoc1 11976845 WAXIAVZWJVMBHP-OAHLLOKOSA-N 339.326 2.609 0 50 EFAA COC(=O)c1cccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 12093832 YKGKGZRVXGOATM-SFHVURJKSA-N 339.391 2.557 0 50 EFAA COCCCNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 12138514 JEVSEXDAHWZXMS-UHFFFAOYSA-N 342.395 2.714 0 50 EFAA c1ccc2c(-c3cnnc(N4CCN5CCC[C@@H]5C4)n3)cccc2c1 12753497 WXSIOSJTFNCPTJ-MRXNPFEDSA-N 331.423 2.976 0 50 EFAA O=C(NCc1cccnc1)c1cc(Cn2ccc3ccccc32)[nH]n1 15075266 FUBINTWVTBSYCO-UHFFFAOYSA-N 331.379 2.738 0 50 EFAA COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 4693574 SUBDBMMJDZJVOS-DEOSSOPVSA-N 345.424 2.900 0 50 EFAA biogenic,fda COC(=O)c1cc(OC(=O)c2ccc(Cl)cc2Cl)n(C)n1 4434739 FAZYMHMRPGBHSL-UHFFFAOYSA-N 329.139 2.733 0 50 EFAA COc1cnc(C)cc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 1857673863 LYEFJRLCHIORFG-INIZCTEOSA-N 341.411 2.615 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 237997654 BQWDHVGANZGMGB-MRXNPFEDSA-N 329.327 2.738 0 50 EFAA C[C@H](NC1(CNC(=O)C2=COCCO2)CCCC1)c1ccccc1 109696450 MYEBNDODAGPNOY-HNNXBMFYSA-N 330.428 2.654 0 50 EFAA Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H]1CCc2c(O)cccc21 111605333 NFTPLCPCINZDLK-AWEZNQCLSA-N 335.354 2.947 0 50 EFAA CCn1cncc1CNCc1cc(Cl)cc(S(=O)(=O)CC)c1 418094980 VJVGYGFPODRHMR-UHFFFAOYSA-N 341.864 2.640 0 50 EFAA Cn1cc([C@@H]2CCN(C(=O)COCc3ccccc3Cl)C2)cn1 116111947 JGDLTACQFIWILI-CYBMUJFWSA-N 333.819 2.606 0 50 EFAA CO[C@@H]1CCC[C@H](CC(=O)N2CCC(N3CCCCC3=O)CC2)C1 328588291 AYYWMJARMKRWTF-DOTOQJQBSA-N 336.476 2.585 0 50 EFAA C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1Cc1ccccc1 237378650 AHZCIDWNXUHTGL-KBAYOESNSA-N 331.504 2.871 0 50 EFAA O=C(C(C1CCC1)C1CCC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 333969644 UWVIDOUTHSBCDP-GOSISDBHSA-N 339.501 2.630 0 50 EFAA Brc1cnc(NCc2cccc(-c3ncc[nH]3)c2)nc1 341930317 CVWYYLGNJGPZOX-UHFFFAOYSA-N 330.189 3.241 0 50 EFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 156278107 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0 50 EFAA C[C@H]1c2nncn2CCN1C(=O)c1ccc(-c2cccc(CN)c2)cc1 2325774792 UHBDCJKENWWZGZ-AWEZNQCLSA-N 347.422 2.621 0 50 EFAA C[C@@]1(NS(=O)(=O)c2cnc(-c3ccccc3)o2)CCO[C@@H]1C1CC1 2325782608 NJXUEHTUWNDZSP-NVXWUHKLSA-N 348.424 2.578 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3c(c2)OCC3(C)C)CC1 2325788002 HFAKQXSKHVZESI-KRWDZBQOSA-N 333.428 2.668 0 50 EFAA O=C(NCc1cccnc1O)[C@H](CCCO)Cc1cccc(Cl)c1 2325805178 WLAUJRZFELJCED-CQSZACIVSA-N 348.830 2.688 0 50 EFAA Cc1cc(=NCc2cnccc2N(C)C)[nH]n1-c1ccccc1F 2325857709 MMWACPVOJAYMSB-UHFFFAOYSA-N 325.391 2.815 0 50 EFAA C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCC[C@H](N)Cc1ccccc1 2325866222 DQPHKHCIJHLVDD-QKNQBKEWSA-N 337.467 2.976 0 50 EFAA Cc1onc(C(=O)N2CCC(C(N)=O)CC2)c1-c1ccccc1Cl 449819 ZKZLWJLSWMZIOC-UHFFFAOYSA-N 347.802 2.641 0 50 EFAA COc1ccc(OC)c(NS(=O)(=O)c2cc(C)ccc2OC)c1 615590 INQNRUIRDNPNPF-UHFFFAOYSA-N 337.397 2.822 0 50 EFAA COc1ccc(OCCCN2CCC[C@@]23CCCN(C)C3=O)cc1 2356135385 BSQDWWJWRBNFGO-LJQANCHMSA-N 332.444 2.551 0 50 EFAA 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345.468 2.706 0 50 EFAA Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CCN[C@@H](C)C3)[C@H](C)CO2)c1 262419416 USGNNPNANOPAKB-ZMMAXQRCSA-N 330.472 2.980 0 50 EFAA COCc1ccc([C@@H]2CCCN2c2c(C)c(C)nc3ncnn23)o1 161760781 OJSFQGINFULWHD-AWEZNQCLSA-N 327.388 2.822 0 50 EFAA COc1cc(CN2CCc3nccc(N)c3C2)ccc1OC(F)F 931512411 OAJNAHGSTOFYFJ-UHFFFAOYSA-N 335.354 2.832 0 50 EFAA C[C@H]1CN(c2ccncc2)CCN1C(=O)Nc1cnn(C2CCC2)c1 934303560 VGNSBXVFNPVVQT-AWEZNQCLSA-N 340.431 2.746 0 50 EFAA O=Cc1ncc(Br)cc1OCc1cccc2nonc12 2325895262 NEELCENNHPWNBE-UHFFFAOYSA-N 334.129 2.772 0 50 EFAA O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1 354927 KMXQUJWFMZUMDQ-UHFFFAOYSA-N 329.327 2.517 0 50 EFAA COc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 448528 MWADHDQIUSABNC-UHFFFAOYSA-N 327.336 2.693 0 50 EFAA NC(=O)COc1c(Cl)cc(Cl)cc1CNCc1cccnc1 6715843 OUHZEQKUVVGLKW-UHFFFAOYSA-N 340.210 2.542 0 50 EFAA CCc1oc(C(=O)N(C)CC2(CO)CCC2)cc1CN(CC)CC 55242602 CWDDFDUYALWNOS-UHFFFAOYSA-N 336.476 2.918 0 50 EFAA CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(F)cc1)CC2=O 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CCOc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82106804 WBIJIKDMOXKTFP-UHFFFAOYSA-N 338.407 2.883 0 50 EFAA Cc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1 82146818 ZPOCBBMUJACIRY-UHFFFAOYSA-N 343.814 2.841 0 50 EFAA COc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c(OCCN)c1 426693832 SBRSXJLFSPFIJQ-PJPHBNEVSA-N 344.455 2.683 0 50 EFAA CCCn1nc(C)c(CNC(=O)[C@H](O)c2ccccc2Cl)c1C 223959942 IOPWFLPAZCTTDC-MRXNPFEDSA-N 335.835 2.913 0 50 EFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)N1CCSCC1 95507816 SKNOENFINPXTMA-UHFFFAOYSA-N 334.401 2.634 0 50 EFAA CC(=O)c1cc(CC(=O)N[C@H](C)c2nc(CC(C)C)no2)cs1 97742771 VNKCWIZKFWZXJW-SNVBAGLBSA-N 335.429 2.952 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 95530687 NCPXSUJZSOTOEQ-ZDUSSCGKSA-N 330.409 2.671 0 50 EFAA CCCCc1nc(C)cc(NCCN2C[C@@]3(CCOC3)CCC2=O)n1 91694332 PJZXYAREMZWKQI-IBGZPJMESA-N 346.475 2.569 0 50 EFAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237632095 ORFNGFOKUNNTSE-RYUDHWBXSA-N 341.354 2.836 0 50 EFAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 96163465 AJTAPRYLAQKSQM-INIZCTEOSA-N 338.455 2.508 0 50 EFAA Cc1ccc(C(=O)O)c(N2CCCN(c3ccc(F)cc3)CC2)n1 96180920 UJKBHORCGPLVLJ-UHFFFAOYSA-N 329.375 2.944 0 50 EFAA COC[C@]1(O)CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1(C)C 91350778 XQGPBSYJVYBVGW-OAQYLSRUSA-N 349.515 3.000 0 50 EFAA O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 230481040 ASTSLFCONZTWSC-IBGZPJMESA-N 342.483 2.895 0 50 EFAA CCCN1CCC[C@@]2(CCN(c3nc(-c4ccccc4)no3)C2)C1=O 91818183 OVDXZQYZAKPVLT-IBGZPJMESA-N 340.427 2.966 0 50 EFAA OC[C@@]1(NCc2ccc(-c3nc4ccccc4s3)o2)CCOC1 184185941 NECZFVUOTLWOAJ-KRWDZBQOSA-N 330.409 2.797 0 50 EFAA Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)nc1 184256269 QSEWLOZSZXTTHM-UHFFFAOYSA-N 344.440 2.832 0 50 EFAA CC(=O)Nc1cccnc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 184482425 WBVGHRUQHKQXRI-INIZCTEOSA-N 325.368 2.599 0 50 EFAA O=C(NC1CCN(CCOc2ccc(Cl)c(F)c2)CC1)C1CC1 252494550 NYIFROZRMJDLAS-UHFFFAOYSA-N 340.826 2.849 0 50 EFAA C[C@]12CC[C@@H]3[C@H](C[C@H](F)[C@@]4(O)C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2O 257355979 DZRJGNYGUDZEKW-ZSOARRGESA-N 326.452 2.814 0 50 EFAA CCCc1nc(C(=O)NCCCc2nnc3ccccn23)cs1 299779538 WBRFNLFXJPLWIE-UHFFFAOYSA-N 329.429 2.501 0 50 EFAA CCOCCOc1cccc(NC(=O)N(C)Cc2cc(C)[nH]n2)c1 299773815 GAYXBPUFFSXLCL-UHFFFAOYSA-N 332.404 2.797 0 50 EFAA CCSc1ccccc1NC(=O)N[C@@H](C)c1nncn1CCOC 299777293 DQBQNYFOGBDZOP-LBPRGKRZSA-N 349.460 2.919 0 50 EFAA CC(C)(C)n1cnc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)n1 291976735 QLOOXHWNTUTSRX-GFCCVEGCSA-N 346.456 2.972 0 50 EFAA CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ccsn2)C1 1455338857 GDKCZDNUGMNJLJ-LLVKDONJSA-N 334.372 2.664 0 50 EFAA FC1(F)CC[C@@H]2C[C@]21CN1CC(c2ccnc(-c3ncccn3)n2)C1 1875356654 OUYAKVOSAFTVSG-DYVFJYSZSA-N 343.381 2.768 0 50 EFAA CCCc1cc(C(=O)N[C@@]2(C)CCN(c3cc(F)ncn3)C2)c(C)o1 1875408058 NOWPCDBASFKHJB-SFHVURJKSA-N 346.406 2.868 0 50 EFAA Cc1occc1C(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 952994612 RKYVDDNEUKYGCW-NSHDSACASA-N 342.321 2.891 0 50 EFAA O=C1CC[C@H](c2ccc(-c3cccc4c3OC[C@H](C(=O)O)C4)cc2)N1 1875281369 NOROIBPRATWINQ-NVXWUHKLSA-N 337.375 2.940 0 50 EFAA CC(C)(F)c1cc(NS(=O)(=O)c2cccc3c2OCC3)no1 1875279789 DNNLWOUNJDJZFP-UHFFFAOYSA-N 326.349 2.615 0 50 EFAA Cn1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2F)c2cn[nH]c2)n1 1875278348 REORKRJJHFVPDZ-HUUCEWRRSA-N 339.374 2.619 0 50 EFAA Cc1ccc(NC(=O)Cn2cc([C@@H]3CCC[C@H](N)C3)nn2)c(C)c1 1875306139 VAXWREKIBFSVNU-CABCVRRESA-N 327.432 2.519 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 1875365186 VHTZUYPRHOQGJI-MRXNPFEDSA-N 328.412 2.554 0 50 EFAA Cc1ccsc1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 952973749 AIJFGWWXYJXMPT-ZDUSSCGKSA-N 331.441 2.667 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(Cc2cc(O)cc(Cl)c2)CC1 892056030 YUVBGLNTNBKPNF-MRXNPFEDSA-N 335.835 2.725 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)N2CCCC2)cc1 1073312022 QHYCPPKNRZLKSS-MSOLQXFVSA-N 343.471 2.807 0 50 EFAA Cc1cc(COCC(=O)Nc2nccc(Br)c2C)no1 1775992904 WDZMZLRAYGQZHB-UHFFFAOYSA-N 340.177 2.604 0 50 EFAA Nc1ccnc(CN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)n1 246465668 FSIHJWQOILTBAM-QZTJIDSGSA-N 337.471 2.545 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(c2cccc(F)c2F)CC1 273107722 KGCZHUQIUGYWIV-LLVKDONJSA-N 348.397 2.757 0 50 EFAA COc1cc(C)cc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1C 278896746 JLODDOQZUZECRR-OAHLLOKOSA-N 343.431 2.848 0 50 EFAA Cc1cc(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)on1 170881307 XNVSIDYCZXLSRM-OAHLLOKOSA-N 335.791 2.920 0 50 EFAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccccc1C2=O 91302892 QOOQGSVGCJWBMB-UHFFFAOYSA-N 330.384 2.839 0 50 EFAA in-vitro COc1cccc([C@H](C(=O)O)N2CCC(OC)(C(F)(F)F)CC2)c1 634692811 KJCMYZWGPUNRTJ-CYBMUJFWSA-N 347.333 2.864 0 50 EFAA CCn1cnc2c(N3CCC(NCc4ccccc4)CC3)ncnc21 408522347 HVUBRVJONHMNSO-UHFFFAOYSA-N 336.443 2.605 0 50 EFAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)n1C 189082770 IKFNGZUFPMNION-SFHVURJKSA-N 339.439 2.679 0 50 EFAA C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC[C@@H](O)C1 221739310 CWWNWXYKWOYZTI-IAGOWNOFSA-N 346.471 2.537 0 50 EFAA Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCC(=O)N(C)C2)s1 189468716 ZSHHTIUHMKMHST-GFCCVEGCSA-N 344.440 2.861 0 50 EFAA Cc1cn(CC(=O)N2C[C@H](C)OC3(CCOCC3)C2)c2ccccc12 225736928 DWRAYKLZLONTQR-INIZCTEOSA-N 342.439 2.746 0 50 EFAA Cc1cc(CC(=O)Nc2cc(Br)c(F)cc2F)n[nH]1 190238201 WKEIBMNOGSJIRY-UHFFFAOYSA-N 330.132 2.940 0 50 EFAA Cc1nnnn1-c1cc(NC(=O)Nc2cc(C(C)C)n[nH]2)ccc1F 192251034 MLPIGAVYIQVIJC-UHFFFAOYSA-N 344.354 2.600 0 50 EFAA C[C@@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1cscn1 660519779 YBUDRRRGHNKJKG-LLVKDONJSA-N 332.429 2.887 0 50 EFAA COC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(F)cc1 529091 GKSIPEUZXCXJEO-INIZCTEOSA-N 342.395 2.929 0 50 EFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cccc3c1OCCO3)C2 1704339339 RAJARXXRUUEMLN-APWZRJJASA-N 331.412 2.879 0 50 EFAA CN1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 1704308719 IDDOGWBUTPWTOF-UHFFFAOYSA-N 335.791 2.835 0 50 EFAA Cc1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 389220 NJYCTROJERXVKP-UHFFFAOYSA-N 327.771 2.997 0 50 EFAA O=C(CCc1cccnc1)N1CCCN(c2ccc(Cl)cn2)CC1 1772811955 CKTQNEVYRWOHEO-UHFFFAOYSA-N 344.846 2.802 0 50 EFAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3cnc(N)s3)ccc2n1C 1775978387 NCUGWRKPADLHKT-SECBINFHSA-N 340.412 2.518 0 50 EFAA COc1cccc(C[C@]2(CO)CCCN(CCCn3cccn3)C2)c1 11839539 RDIACIQRSKGRAP-HXUWFJFHSA-N 343.471 2.599 0 50 EFAA CC[C@@H](COC)NC(=O)c1cc(Cn2c(C)nc3ccccc32)on1 12306672 WKHNTNRKOMTEEJ-ZDUSSCGKSA-N 342.399 2.536 0 50 EFAA COc1ccc(CC(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)cc1 12589619 HREVLHABILUPSV-KRWDZBQOSA-N 344.455 2.535 0 50 EFAA CCc1[nH]c2c(CNC(=O)CCCn3cncn3)cc(F)cc2c1C 12704946 MXWJLGMKCOISII-UHFFFAOYSA-N 343.406 2.866 0 50 EFAA CC1CCN(c2ccc(C(=O)NCC[C@H]3CCCCN3C)cn2)CC1 12754119 AOLKGGJJXNLFON-GOSISDBHSA-N 344.503 2.922 0 50 EFAA Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F 13983188 XZBFQWRAIYRPPZ-UHFFFAOYSA-N 349.369 2.895 0 50 EFAA in-vitro O=C(O)CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817713 LNGDLUXGZCZQOG-UHFFFAOYSA-N 332.475 2.632 0 50 EFAA O=C(NCc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccco1 5092447 VKUPHYCVEOWYFP-FOWTUZBSSA-N 336.347 2.960 0 50 EFAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(C)(C)C 4973656 KNAPXHPBUMAIMD-UHFFFAOYSA-N 334.441 2.866 0 50 EFAA CSCC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 154808702 GJCJAPOAFFPNNC-GFCCVEGCSA-N 339.848 2.574 0 50 EFAA N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 1530775 XDRYMKDFEDOLFX-UHFFFAOYSA-N 340.427 2.883 0 50 EFAA biogenic,fda O=C1C[C@H](Cn2ccnc2-c2ccnn2-c2ccccc2)CN1C1CC1 1857666491 HVZHVURDCSORBB-OAHLLOKOSA-N 347.422 2.747 0 50 EFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cn4ccccc4n3)CC2)O1 1857672259 NRMHIAZTBFCAIT-QZTJIDSGSA-N 343.471 2.865 0 50 EFAA Cc1cc(C)c(-c2nc(C3CCOCC3)nn2-c2cnn(C)c2)cn1 1857680779 ORZPOZNXJKJPOU-UHFFFAOYSA-N 338.415 2.574 0 50 EFAA CNC(=O)c1cc(-n2ccnc2-c2ccnc(OC)c2)ccc1Cl 1857691179 YRRHMYDRYUGURJ-UHFFFAOYSA-N 342.786 2.956 0 50 EFAA CC[C@H](c1cn2cccnc2n1)n1ccnc1-c1ccnc(OC)c1 1857693943 TZCYFDUUDJGXSW-OAHLLOKOSA-N 334.383 2.996 0 50 EFAA CCn1c(CNC(=O)c2nc3ccccn3c2C)nc2ccccc21 1857734453 JXVHXOZGCAETAA-UHFFFAOYSA-N 333.395 2.942 0 50 EFAA CCc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1 2171096 HIKYLSMKOOWXCW-UHFFFAOYSA-N 335.425 2.615 0 50 EFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-n2cccc2)cc1)C(=O)O 2379620 FUNJWWBPGJDLMT-HNNXBMFYSA-N 330.384 2.998 0 50 EFAA Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(=O)[nH]1 118700597 KJQBMLAOLSYYLM-IAGOWNOFSA-N 342.395 2.618 0 50 EFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2OCc2cscn2)C1 237654053 MOCCWVOBHBBNPO-KRWDZBQOSA-N 346.408 2.659 0 50 EFAA CCC1(O)CN(C(=O)c2ccccc2SCc2cc(C)no2)C1 253417532 YUPILOCWXIFWBB-UHFFFAOYSA-N 332.425 2.872 0 50 EFAA Cc1n[nH]cc1C(=O)N1CCC2(CC1)C[C@@H]2c1nnc(C(C)C)o1 363216930 IHHLBDYZSQRHOA-CYBMUJFWSA-N 329.404 2.634 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc(C(=O)O)cc2)cn1 262993217 DUPYBVZQAYZXGY-LLVKDONJSA-N 328.372 2.874 0 50 EFAA C[C@H](c1ccsc1)N1CCN(C(=O)c2cccc(C(=O)O)c2)CC1 263405059 HLRJHXRWPXPHID-CYBMUJFWSA-N 344.436 2.965 0 50 EFAA CCc1cccnc1C(=O)N1CCOC[C@@H]1c1ccc(COC)o1 906231437 WVIXRHCWUQZIBU-OAHLLOKOSA-N 330.384 2.597 0 50 EFAA O=C(c1ccc(-n2cccc2)nc1)N1CCc2nc[nH]c2C12CCC2 827974818 BAUUJHHJWWWFIM-UHFFFAOYSA-N 333.395 2.673 0 50 EFAA Cc1ccc(/C=C/CC(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 2325786038 ZBLJACIHJADYPP-OOHZSNRESA-N 339.439 2.551 0 50 EFAA O=C(OCc1cccc(C(F)(F)F)n1)c1ccc2nccnc2n1 2325873484 IVBJWXVPYAFUJL-UHFFFAOYSA-N 334.257 2.796 0 50 EFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(OC)c1 182671 VVSDQRWOWVWUBF-UHFFFAOYSA-N 345.395 2.618 0 50 EFAA COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1 190603 WGMZFJPNSDIZFM-CYBMUJFWSA-N 338.816 2.565 0 50 EFAA CC(F)(F)[C@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccncc1 270162 NUGPIZVQCOBORF-QGZVFWFLSA-N 331.322 2.676 0 50 EFAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3nccn3C)C2=O)cc1 2356163924 XGLZIHCJZWSKFM-FQEVSTJZSA-N 338.455 2.890 0 50 EFAA CC(C)(C)[C@@H]1CC[C@H]2OCCOCCOCCOCCO[C@@H]2C1 6357367 KEDVODGFVKTPLB-BRWVUGGUSA-N 330.465 2.666 0 50 EFAA CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)c1 101362643 CXQNOOYZOVBXRL-LAQRGFTBSA-N 337.375 2.870 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1 248161228 XQUDTOPCYHWMMW-JKSUJKDBSA-N 342.468 2.904 0 50 EFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCn2cccc2[C@H]1C 102228693 ONNYZGVUHXJIML-IUODEOHRSA-N 339.395 2.526 0 50 EFAA CCN(Cc1cn(CCC(N)=O)c2ccccc12)C[C@@H]1CCCO1 55576425 OEBIBTGGSJJWHK-INIZCTEOSA-N 329.444 2.518 0 50 EFAA Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@@H](C)C2=O)c1 55393260 QAOYNFCTYLYVCD-ZDUSSCGKSA-N 342.361 2.897 0 50 EFAA COc1ccccc1CCCNC[C@]1(O)CCCN2CCCC[C@@H]21 63832693 FTPWCFOLEKDFEF-WOJBJXKFSA-N 332.488 2.597 0 50 EFAA Cc1cc(C(=O)N2CCC(n3cc(-c4ccsc4)nn3)CC2)no1 23145885 SMQPKOFSIZIDII-UHFFFAOYSA-N 343.412 2.780 0 50 EFAA Cn1cc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)c(-c2ccccc2)n1 252477874 WVWGVBUVCMXEML-OTVXOJSOSA-N 328.416 2.760 0 50 EFAA O=S(=O)(CCCN1CCO[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 230132498 QIJNNTPSGBQNRG-CVEARBPZSA-N 343.876 2.757 0 50 EFAA Cc1nc(CC(=O)NCc2ccccc2-n2ccnc2C)cs1 65531535 GGVATRRGNQEUOM-UHFFFAOYSA-N 326.425 2.805 0 50 EFAA Cc1cc(S(=O)(=O)Nc2ccccc2)c2[nH]c(=O)cc(C)c2c1 67621066 AKCJDFXHECQWET-UHFFFAOYSA-N 328.393 2.946 0 50 EFAA C[C@@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 65395965 GXGBREXULLGGDK-OAHLLOKOSA-N 348.462 2.911 0 50 EFAA COc1ccc(-c2cc(-n3cccn3)nc(C)n2)c(OC)c1OC 67713869 NBQQCFKHTPHAIS-UHFFFAOYSA-N 326.356 2.664 0 50 EFAA COc1ccc(CC2(CO)CCN(c3nc(C)ncc3C)CC2)cc1 67723776 IAESGYUGQXKVAI-UHFFFAOYSA-N 341.455 2.924 0 50 EFAA C[C@H](C(=O)N(C)Cc1noc(C2CCC2)n1)n1cnc2ccccc21 67695885 UQQRGDFUVOTYRS-GFCCVEGCSA-N 339.399 2.906 0 50 EFAA CCOC(=O)CC(=O)Nc1nc2ccc(Br)cc2s1 40589 ZNUMKRFDBLPQAI-UHFFFAOYSA-N 343.202 2.951 0 50 EFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]([C@H](C)N)C2)c1C 237457794 UTZHURNPLRIEKB-HOCLYGCPSA-N 326.444 2.689 0 50 EFAA CN(C)Cc1nnc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1C 72453950 KJJJNUYYVFQPJZ-DBEXCURXSA-N 339.487 2.770 0 50 EFAA Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)CCO1 333843378 LTQCFTYXZJNTCP-KSWRQPAISA-N 344.459 2.542 0 50 EFAA Cc1cc2cc[nH]c2cc1NC(=O)N1CCN(c2cnccn2)CC1 444980727 CSYPHDNIFHVLBD-UHFFFAOYSA-N 336.399 2.620 0 50 EFAA CS[C@@H](C)C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 331176281 LIYIPKOEGATYRM-JQWIXIFHSA-N 327.450 2.528 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)N2CCSCC2)CN1Cc1ccccc1 126040441 NHZMJSJEAYPGNH-NVXWUHKLSA-N 333.501 2.655 0 50 EFAA Cn1ncc(C(=O)N[C@H]2Cc3cccc(O)c3C2)c1Cc1ccccc1 446344922 VEHGPPRLLWESCN-INIZCTEOSA-N 347.418 2.614 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCCc1ccc2c(c1)OCO2 32713598 DZJHXYDRGSABHL-UHFFFAOYSA-N 329.400 2.728 0 50 EFAA Cc1nc(-c2ccc(NC(=O)COC3CCNCC3)cc2)cs1 261615877 ACQZYCKJGHEFDA-UHFFFAOYSA-N 331.441 2.826 0 50 EFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cccc(-n2cccn2)c1 77471697 KLNZWVIOUZTCBR-UHFFFAOYSA-N 344.378 2.587 0 50 EFAA CCc1[nH]c2ccc(CNC(=O)C[C@@H](C)N3CCOCC3)cc2c1C 71754158 XGJFGOSZHMFJEC-CQSZACIVSA-N 343.471 2.766 0 50 EFAA COCc1noc(-c2ccc(N(C)CCC3CCOCC3)nc2)n1 39362524 KCZCVVOHONKUBL-UHFFFAOYSA-N 332.404 2.531 0 50 EFAA O=C1CC[C@]2(CCCN(c3ccccn3)C2)CN1Cc1ccccn1 72422582 WNTYFBFHQHKGOZ-FQEVSTJZSA-N 336.439 2.886 0 50 EFAA O=C(C1CC1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72170229 QWDCTQAXFKILAT-KZNAEPCWSA-N 332.394 2.763 0 50 EFAA CC(C)(C)Sc1cc(C(=O)N2CCOC[C@H]2c2ncon2)ccn1 241965667 UUVRKOWBIVTVEH-LBPRGKRZSA-N 348.428 2.569 0 50 EFAA CSCCN(C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C 216319171 XKFMERWEVVSVCW-UHFFFAOYSA-N 335.561 2.846 0 50 EFAA CCc1nc(C)sc1C(=O)N(CC)C[C@H](O)c1cccc(O)c1 216142189 UFOWLTPMYGFMHN-HNNXBMFYSA-N 334.441 2.915 0 50 EFAA Cc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)nc1C 72119382 GEVCCDNFAXPYED-UHFFFAOYSA-N 325.290 2.518 0 50 EFAA COc1c(C)cc(C(=O)[C@H]2CCCN(c3cc(N)ncn3)C2)cc1C 71750992 NDKNDKOXJANASV-AWEZNQCLSA-N 340.427 2.784 0 50 EFAA COC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc(C)o1 175702909 ICMRALYREAYIJV-ZIAGYGMSSA-N 332.404 2.935 0 50 EFAA CN(C)C(=O)N1CCCC[C@@H](NC(=O)CCCc2cccs2)C1 82096204 UWILXINJQNQYJM-CQSZACIVSA-N 337.489 2.723 0 50 EFAA COc1cccc2c1CC[C@H]2NS(=O)(=O)CCc1ccccc1 177537426 LRUGXWFVMQAKTD-QGZVFWFLSA-N 331.437 2.845 0 50 EFAA COC(=O)c1cc2c(C(=O)O)cn(Cc3ccc(F)cc3)c2cn1 40449971 DMEMAMZZHYFQTC-UHFFFAOYSA-N 328.299 2.709 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)Cn1cc2ccccc2n1 221318367 OSKPWMCJBUJOGE-UHFFFAOYSA-N 347.378 2.745 0 50 EFAA COCC(=O)Nc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC 426726957 VYDBYALFYDARQS-OUCADQQQSA-N 347.415 2.590 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 178817500 RTGIVJMUKFXDKT-YLJYHZDGSA-N 345.406 2.720 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)n(C)n1 95498924 JSESVRYXZIIVCD-CQSZACIVSA-N 335.791 2.753 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCCc1ccc(C(=O)O)cc1 95521034 OGJQSANBKTXYQQ-UHFFFAOYSA-N 329.400 2.697 0 50 EFAA O=C(O)[C@]1(CC2CC2)CCCN(Cc2ccccc2OCCO)C1 91644211 XUFGQEDFSHQUIM-IBGZPJMESA-N 333.428 2.525 0 50 EFAA CCc1ncc(-c2cn(Cc3cccc(-n4cccn4)c3)nn2)cn1 91504476 WRPYFOJIGCTWHG-UHFFFAOYSA-N 331.383 2.532 0 50 EFAA CCCn1cc(NC(=O)NCCCN2CCCc3ccccc32)nn1 95524941 CHYXEFVRDMLJPY-UHFFFAOYSA-N 342.447 2.653 0 50 EFAA CC(C)c1ncc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 97324002 ORZQIGCQOJFURM-HNNXBMFYSA-N 330.476 2.823 0 50 EFAA CC(C)(CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1)N1CCOCC1 95382716 YXGICUUKYAIJOS-GOSISDBHSA-N 346.471 2.675 0 50 EFAA O=C(c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)N1CCCCC1 96149848 HLQINWJMQKWZMQ-UHFFFAOYSA-N 349.390 2.510 0 50 EFAA Cc1cccc([C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)N(C)C)c1 248150994 JSTOJGPJQXOMHL-BFYDXBDKSA-N 332.444 2.605 0 50 EFAA CCNC(=O)C1(CNCc2c(C)nc3scc(C4CC4)n23)CCC1 298065543 KMMUJUZXRRXSHH-UHFFFAOYSA-N 346.500 2.978 0 50 EFAA COC(=O)C[C@@H](c1cccc(O)c1)c1oc2ccccc2c(=O)c1O 253407448 JWOXRXJKFLGCHR-AWEZNQCLSA-N 340.331 2.899 0 50 EFAA biogenic COC(=O)c1ccc(NC(=O)Nc2c3c(nn2C)CSC3)cc1 263588077 OVWOTZBSRZLTOD-UHFFFAOYSA-N 332.385 2.598 0 50 EFAA Cc1ccsc1-c1cccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 299796612 OBYWDWCVUFYUKS-LJQANCHMSA-N 344.480 2.862 0 50 EFAA Cc1nnc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)s1 299802796 PYUQTPHDNNKSCL-QGZVFWFLSA-N 328.485 2.522 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CCc1nc3ccc(C)c(C)c3[nH]1)CC2 299758580 KMFAZQWKAZIVTG-OXFYSEKESA-N 343.471 2.727 0 50 EFAA CC(C)Cn1cncc1Cn1cnc2sc3c(c2c1=O)CCC3 584884628 FJQHJLXYFXHQQG-UHFFFAOYSA-N 328.441 2.848 0 50 EFAA FC(F)(F)[C@]1(c2nc(C3CC3)no2)CCN(Cc2cnns2)C1 952892225 LSZGYEDEOGJLOZ-GFCCVEGCSA-N 345.350 2.505 0 50 EFAA Cc1nc(Nc2cnn([C@@H]3CCC(=O)NC3)c2)c2scc(C)c2n1 1875294636 LBLAWHLLOPPEHN-GFCCVEGCSA-N 342.428 2.699 0 50 EFAA C[C@@H]1c2ccc(Cl)cc2CCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 1875297070 BGAOONFGMQEVMY-VXGBXAGGSA-N 339.844 2.734 0 50 EFAA COc1cc(C(=O)O)nc(C(=O)N(Cc2ccccc2)C2CCC2)c1 1875277676 XWKIWGKYVVOLSI-UHFFFAOYSA-N 340.379 2.983 0 50 EFAA Cn1nccc1[C@H](NC(=O)c1ccnn1C1CCC1)c1ccccc1 1875298082 NVBJBFKXWUWRDP-GOSISDBHSA-N 335.411 2.861 0 50 EFAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)c1cc(O)n[nH]1 1875349332 UENFZAKYYIYCGL-QMMMGPOBSA-N 331.763 2.650 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc3c(c2)OC(C)(C)CC3)cn1 1875378437 DAALFQAWDLZEQT-OPAMFIHVSA-N 327.428 2.787 0 50 EFAA Cc1nnc(CCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)o1 1875308134 ZUQLFXJJJMMUBY-UHFFFAOYSA-N 335.232 2.648 0 50 EFAA CC(C)c1cc(N2CCC[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]32)ncn1 1875302838 IUZBWVWGAONYHJ-WMLDXEAASA-N 339.443 2.669 0 50 EFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2nc(O)c3ccccc3n2)C1 888102736 JPFFMGHJADVSGZ-DOMZBBRYSA-N 339.399 2.642 0 50 EFAA CC(C)(C)c1nnc(NC(=O)c2cc3ccncc3c(O)n2)s1 1775989564 PQBAKVAYHNPPNL-UHFFFAOYSA-N 329.385 2.737 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 247441607 XMUZJFQTGWCVAO-CVEARBPZSA-N 331.412 2.695 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(F)c1F 274832104 ZVEWRFUQPVBLJV-AXTRIDKLSA-N 327.302 2.962 0 50 EFAA CC(C)c1nnc(CNC(=O)c2cccc(OC(F)(F)F)c2)n1C 186546847 HMXYMSPXVYIXAV-UHFFFAOYSA-N 342.321 2.767 0 50 EFAA O=C(NCc1nncn1C1CC1)c1c[nH]nc1-c1cc2ccccc2o1 186684292 FRSDXYAVNXAGCD-UHFFFAOYSA-N 348.366 2.679 0 50 EFAA O=C1CNC(=O)N1[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 277174890 DIITZTBHVNZXIA-JTQLQIEISA-N 328.199 2.514 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N[C@]1(CO)CCCc2ccccc21 281743155 IPDFFBDGKJFUGV-IBGZPJMESA-N 342.443 2.889 0 50 EFAA COC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C)CC1 282415855 IOPBDHCZYVAEGT-LBPRGKRZSA-N 334.395 2.709 0 50 EFAA C[C@@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1nccs1 225416862 FECVLCASQFGAJK-SNVBAGLBSA-N 326.381 2.588 0 50 EFAA C[C@@H](NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C(C)(C)C 190710646 AHKWQZTYBSYAFX-NVXWUHKLSA-N 332.492 2.980 0 50 EFAA O=C(c1ncccc1Br)N1CCCC[C@@H]1c1ncon1 193312030 HMQLXDMXYZICMV-SNVBAGLBSA-N 337.177 2.595 0 50 EFAA C[C@H](NCc1cccc2c1OCCO2)c1ccccc1-n1ccnn1 796827976 UKERULRUZUBFKO-AWEZNQCLSA-N 336.395 2.889 0 50 EFAA CN(C)c1nccnc1N(C)Cc1ccccc1CN1CCCC1 1529100791 ZOGDXFZSNJNVLE-UHFFFAOYSA-N 325.460 2.775 0 50 EFAA O=C(N1CCO[C@H](CO)[C@H]1c1ccccc1)C1(c2ccccc2)CC1 1529133696 ADLODSPMNXZTAZ-RTBURBONSA-N 337.419 2.679 0 50 EFAA CC(=O)c1ccc(C(=O)Nc2c(N3CCCC3)nn(C)c2C)s1 1529166900 DIQOGAJBXWMAOL-UHFFFAOYSA-N 332.429 2.845 0 50 EFAA O=C(O)c1c(N2CCCN3CCC[C@H]3C2)noc1-c1ccccc1 1704311785 CMBHBYUEUJPZBV-AWEZNQCLSA-N 327.384 2.714 0 50 EFAA O=C(Cn1c(=O)sc2ccccc21)OCc1ccc2c(c1)OCO2 404892 RHRKJZJKGMDDEB-UHFFFAOYSA-N 343.360 2.535 0 50 EFAA O=C(CN1CCCCC1)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12051616 LGKJMVRWPHFNEE-SFHVURJKSA-N 349.906 2.907 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C)cc2)cc1 14401670 WJYLRGCAAINLHZ-UHFFFAOYSA-N 346.452 2.711 0 50 EFAA C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 16184415 NMWFIAYQODQVRM-BHTHQVBYSA-N 348.196 2.672 0 50 EFAA CSc1ccc(CCN2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 19883576 OETQQVLIAWBVCU-OALUTQOASA-N 334.529 2.872 0 50 EFAA O=C(C1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1 4725491 BKCPTCMTVHDZBP-UHFFFAOYSA-N 330.428 2.640 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc12 4839515 DHVCJFYSBTUIMY-UHFFFAOYSA-N 349.390 2.826 0 50 EFAA CCc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 6700861 RJKXPMJHEZYYKK-UHFFFAOYSA-N 330.453 2.760 0 50 EFAA Cc1cnc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)cn1 1857696473 CDUNLLXWACFLOA-UHFFFAOYSA-N 333.439 2.786 0 50 EFAA Cc1cc2cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](C(C)C)CN4C3)ccc2o1 1857721761 DWUZVBLARUHRLF-JENIJYKNSA-N 342.439 2.969 0 50 EFAA COc1cc(C)c(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1C 1857722502 KAJHTQNQFBEZLS-QEUVDIPISA-N 344.499 2.853 0 50 EFAA COc1ccc(OC)c(COC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)c1 103464064 FACHZQKKZVGCFY-YQQAZPJKSA-N 337.460 2.559 0 50 EFAA COc1ccc(Cl)c(CN2CCN(C)[C@H](c3nc(C)no3)C2)c1 332368644 WLMJDIHZFZGDPI-HNNXBMFYSA-N 336.823 2.529 0 50 EFAA O=C(N[C@H]1CCc2ccccc2OC1)c1ncccc1Br 338049587 IJAOXHCEKUMTPU-LBPRGKRZSA-N 347.212 2.968 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 345626728 YVBCHMAGDQTSNM-XHDPSFHLSA-N 347.317 2.642 0 50 EFAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCOc1cccc(Cl)c1 345788552 DCDPMUJKSJYHLO-YESZJQIVSA-N 325.836 2.581 0 50 EFAA O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCCO)C1 666539847 LWHHGSCOISIRNO-LBPRGKRZSA-N 347.242 2.676 0 50 EFAA CC(C)Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc2nccn2c1 369551925 FKNYTXJAFSIUJP-OAHLLOKOSA-N 338.415 2.559 0 50 EFAA Cc1ccc(NC(=O)NCc2c(C)cc(CO)cc2C)c(N(C)C)n1 930505586 UGRSSQBLKBVZQZ-UHFFFAOYSA-N 342.443 2.887 0 50 EFAA CN1CCN(C(=O)c2ccc(C3CC3)nc2O)c2cc(F)ccc21 933684853 COHXJDXTIFNNDD-UHFFFAOYSA-N 327.359 2.900 0 50 EFAA Clc1cnc(N2CCC[C@@H](n3cncn3)C2)c(Br)c1 225594057 ABOYWRFGJPKXTD-SNVBAGLBSA-N 342.628 2.931 0 50 EFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N1CC[C@H](COCc2ccccc2)C1 262638481 QGUUKITZXPOQIK-UMQXSMKFSA-N 342.483 2.972 0 50 EFAA COc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC)c3)CC2=O)cc1 85135 URWNYJYGZVQTKZ-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA O=c1cc(CN2CCOCC2)c2cc(O)c(-c3ccccc3)cc2o1 20412450 FUQUYHIHEGPBJP-UHFFFAOYSA-N 337.375 2.998 0 50 EFAA biogenic CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC[C@@H]1O 2325783852 HQLRCAAZSHYCSI-IRXDYDNUSA-N 340.423 2.915 0 50 EFAA CO[C@]1(C(=O)O)CCN(Cc2cccc(-c3ccc(F)cc3)n2)C1 2325787837 ZOQFPOAQOUHHAI-GOSISDBHSA-N 330.359 2.563 0 50 EFAA Cc1cnc2c(cnn2CC(=O)Nc2ccc3c(c2)CN(C)CCC3)c1 2325799298 HUWJCAQQTBBQIW-UHFFFAOYSA-N 349.438 2.756 0 50 EFAA O=C(O)Cc1ccc2c(c1)N(C(=O)[C@@H]1OCCc3ccccc31)CC2 2325808237 IAPYMHXXEUADNX-LJQANCHMSA-N 337.375 2.517 0 50 EFAA CCC[C@@H]1C[C@H](C(=O)N2CC(c3ccc(C(=O)O)cc3)C2)CCO1 2325812877 OTJRXSKCBZAAPK-NVXWUHKLSA-N 331.412 2.906 0 50 EFAA O=Cc1cc(C(=O)N=c2cc[nH]c3ccc(O)cc23)c2n1CCCC2 2325901483 HWWKJIIBJLBWLS-UHFFFAOYSA-N 335.363 2.565 0 50 EFAA COc1ccc(CSc2nnc(-c3ccccc3OC)n2N)cc1 532356 JDIHZZQZPVMGJJ-UHFFFAOYSA-N 342.424 2.968 0 50 EFAA Cc1ccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1252325 KCAUCQNOPXUCJP-IRXDYDNUSA-N 342.420 2.607 0 50 EFAA O=C(Nc1cccc(O)c1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 4520008 BNQPBRFIEJUNCC-INIZCTEOSA-N 326.352 2.762 0 50 EFAA Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)o1 4856590 JZBFMTDLQDJSEP-UHFFFAOYSA-N 337.173 2.719 0 50 EFAA CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(C)cc2)cc1 6703030 JFECMSVVKYYHKU-UHFFFAOYSA-N 340.379 2.540 0 50 EFAA Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4ccccn4)nc3c12 6757771 LTCIACWILBVWTG-UHFFFAOYSA-N 349.442 2.710 0 50 EFAA O=C(NCCc1ccc2c(c1)OCCO2)c1cc(-n2cccc2)ccn1 345221582 NDGRDLKQIWZMNF-UHFFFAOYSA-N 349.390 2.616 0 50 EFAA COc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c(F)c1 104405068 LDRWSNYBCHFKRY-MRXNPFEDSA-N 338.467 2.749 0 50 EFAA CCc1cncc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(OC)c2)c1 282675167 ZJAFIWNQFGKUER-AEFFLSMTSA-N 326.396 2.601 0 50 EFAA O=C(NCc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426573 IOEDLKZLGBYZDR-KRWDZBQOSA-N 340.398 2.533 0 50 EFAA COc1cccc(Nc2nc(N)nc(CN3C[C@H](C)C[C@@H](C)C3)n2)c1 9483682 PELYXYXDTZWKDT-CHWSQXEVSA-N 342.447 2.684 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101429008 CNDFCAWZTVBEQG-STQMWFEESA-N 346.814 2.928 0 50 EFAA CCc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099613 FWEIHCQBUIRECI-IYBDPMFKSA-N 326.396 2.529 0 50 EFAA CSc1ccc(CN(CCO)C(=O)CSc2ccncc2)cc1 65508885 FYPJAEJKJKOIBI-UHFFFAOYSA-N 348.493 2.917 0 50 EFAA O=C(CCCCN1Cc2ccccc2C1=O)NCCc1ccccn1 55199520 SWSCGSRASGNUBR-UHFFFAOYSA-N 337.423 2.567 0 50 EFAA CNC(=O)CC1CCN(Cc2cc(F)c(OC)c(Cl)c2)CC1 67965365 DGXZAWNUBMSSKG-UHFFFAOYSA-N 328.815 2.836 0 50 EFAA CSc1ccc(-c2nc(CN3CCO[C@@H](CN)C3)c(C)o2)cc1 67457753 NSRAKDPHNSFZNV-AWEZNQCLSA-N 333.457 2.531 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C)C1 65796028 KJMIBCRKZAOIIA-HNNXBMFYSA-N 341.473 2.892 0 50 EFAA Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)n1 65371457 YRBWKEWPUGRNBJ-OAHLLOKOSA-N 337.427 2.652 0 50 EFAA O=C(Cc1noc2ccccc12)NC[C@@H]1CCN(Cc2ccco2)C1 67975658 STMHXJILKQGSJA-AWEZNQCLSA-N 339.395 2.602 0 50 EFAA COc1ccc2cc([C@H](C)C(=O)NC3(CO)CCOCC3)ccc2c1 355170609 VBLOHSQLYWJEOI-AWEZNQCLSA-N 343.423 2.610 0 50 EFAA COc1ccc(F)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1 20202270 OLFJIRFKHFGXQF-INIZCTEOSA-N 338.467 2.749 0 50 EFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1O 65497465 PHKDEKYMTQCHGW-ZIAGYGMSSA-N 347.436 2.617 0 50 EFAA Cn1c(=O)oc2ccc(N[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc21 123966369 PSYKYQBHRAFTDK-OLZOCXBDSA-N 347.415 2.989 0 50 EFAA COCCN1CC[C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 65462057 ZJPQHGAGQIXGOR-SFHVURJKSA-N 340.467 2.542 0 50 EFAA O=C1NCCCN(C(=O)c2cccc3c2CCC3)[C@@H]1Cc1ccccc1 355992099 QHEGOVLCMGTYLH-HXUWFJFHSA-N 348.446 2.749 0 50 EFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 253393047 PITFPKGWCOUIEA-KEYYUXOJSA-N 344.455 2.741 0 50 EFAA COc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)ncn2)c1 253418635 ZOWBONUBWPTEBU-KRWDZBQOSA-N 340.427 2.663 0 50 EFAA CC(C)Cn1ncc(NC(=O)N2CCCN(C)CC2)c1C(F)F 331398394 CMDDKQIKEUOCNZ-UHFFFAOYSA-N 329.395 2.646 0 50 EFAA Cc1ccc(-n2nc(C)c(CC(=O)N3CC[C@H](N)C3)c2C)cc1Cl 237838810 YMJUACYECKHPJR-AWEZNQCLSA-N 346.862 2.553 0 50 EFAA Cc1c(Cl)cccc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 284882548 SMCHODQNQJJPTK-QGZVFWFLSA-N 348.834 2.555 0 50 EFAA CCc1ncc(S(=O)(=O)N2CCCc3ccccc3CC2)s1 333068799 JQHLMHHUZYVCPY-UHFFFAOYSA-N 336.482 2.885 0 50 EFAA Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2N(C)C)cc1 77298557 YLLASDGEXWLBSW-RBUKOAKNSA-N 344.480 2.713 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(NC2CC2)nc1 239882276 DAWWNRWALMNHMO-MAZHCROVSA-N 343.427 2.602 0 50 EFAA CCCc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1 72469488 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343.427 2.513 0 50 EFAA Cc1cccnc1NCCNc1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 222769728 ZUDQDDKPIQAGOS-GASCZTMLSA-N 338.459 2.786 0 50 EFAA COc1cccc(CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)c1 95354036 JETBUDAESDASNN-LJQANCHMSA-N 339.439 2.586 0 50 EFAA O=C(c1ccc(F)cc1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91625460 FUHLMWORKUJHIY-IBGZPJMESA-N 330.403 2.690 0 50 EFAA COCc1cc(CNC(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)n[nH]1 91754796 RWIRUQMEFMYPFH-GOSISDBHSA-N 331.391 2.679 0 50 EFAA O=C1[C@@H]2CCCN2C(=O)CN1Cc1cccc(Oc2ccccc2)c1 95511903 VXRJFFPREGGDFI-SFHVURJKSA-N 336.391 2.812 0 50 EFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCO[C@@H]2CCCC[C@H]21 95365803 MAJJYEJJDLOMQJ-QZTJIDSGSA-N 332.444 2.662 0 50 EFAA Cc1ncsc1CCC(=O)N(Cc1cocn1)Cc1cocn1 97578898 FBENPGUCXSFXIH-UHFFFAOYSA-N 332.385 2.589 0 50 EFAA COc1cc(Cl)cc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1OC 91664921 YURYVVDIWFWTHO-UONOGXRCSA-N 339.819 2.900 0 50 EFAA O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2ccccn2)C1 96138749 ZVZOVTZTBIIWCZ-HNNXBMFYSA-N 349.438 2.533 0 50 EFAA COc1cc2c(cc1OC)CN(C[C@H](O)CO[C@@H]1CCC[C@H]1C)CC2 244673991 HZKWJLGDBRNGQP-FHLIZLRMSA-N 349.471 2.628 0 50 EFAA C[C@H](O)CC(C)(C)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)CO 864094074 CXDZFHWEHKKWHC-HOCLYGCPSA-N 336.476 2.843 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)c1nc(-c2ccccc2)oc1C1CC1 299742067 GRGRKLZZMKEGDF-ZDUSSCGKSA-N 326.352 2.908 0 50 EFAA CC1CCN(Cc2ccc(C(=O)N[C@H](C)Cc3cnccn3)o2)CC1 299795605 MJANKEGTKOUVEL-OAHLLOKOSA-N 342.443 2.663 0 50 EFAA O=C(NCCN1CCCOC1=O)Nc1cccc(OC(F)(F)F)c1 299755452 DJOJASXKTFSZPC-UHFFFAOYSA-N 347.293 2.549 0 50 EFAA C[C@@H]1CNC(=O)CCN1C(=O)c1cccc(-c2ccc(Cl)cn2)c1 299794977 LOAAXDKWEWJCLC-GFCCVEGCSA-N 343.814 2.753 0 50 EFAA Cc1nc(-c2cccc(NC(=O)CN3CCc4ccccc4C3)c2)n[nH]1 828069839 UNFKZFIHYZIZNY-UHFFFAOYSA-N 347.422 2.777 0 50 EFAA CC[C@@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)C(=O)N(C)C 584891153 HXZFJEXHCFLRED-QGZVFWFLSA-N 346.475 2.793 0 50 EFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC[C@H]1CC[C@H](CO)CC1 584899371 XPJWFMHTZDRGGZ-JOCQHMNTSA-N 348.422 2.642 0 50 EFAA CC(C)Cc1cc(CNC(=O)c2cc(-c3ccccn3)[nH]n2)on1 670452698 BTPMNJPXHHEPNM-UHFFFAOYSA-N 325.372 2.588 0 50 EFAA Cc1c(F)cccc1C(=O)NCCc1nnc(-c2ccccc2)n1C 1447528014 UVPDZLXWCUZMBG-UHFFFAOYSA-N 338.386 2.902 0 50 EFAA O=C(NC1CC1)c1cc(NC(=O)C23CCC(CC2)O3)ccc1Cl 1875314087 GQJMYGRWPSPJHA-UHFFFAOYSA-N 334.803 2.882 0 50 EFAA CN(C)c1ncc(CN2CC(C)(C)[C@@H]2c2nccn2C2CC2)n1C 952893025 QUQUIPMIRSAMDJ-HNNXBMFYSA-N 328.464 2.601 0 50 EFAA C[S@](=O)Cc1ccc(CNC2[C@H]3[C@H]4C[C@@H]5[C@H]3[C@@H]3C[C@H]5[C@@H]4[C@@H]23)cc1 952877417 PTGINZVIZCVSAM-LZJKQTCSSA-N 327.493 2.801 0 50 EFAA O=C(Cc1ccco1)N1CCCN(Cc2ccccc2)CCOCC1 952995697 VSTCMUCLHHRLMF-UHFFFAOYSA-N 342.439 2.573 0 50 EFAA Brc1cncnc1N=c1ccn(Cc2ccccc2)[nH]1 1875262690 GSAZGSVQFXYUPZ-UHFFFAOYSA-N 330.189 2.649 0 50 EFAA COC1(CO)CN(c2nc(-c3ccsc3)nc3ccccc23)C1 1875294350 FTQBRARDTLHSPJ-UHFFFAOYSA-N 327.409 2.556 0 50 EFAA COc1nn(C)cc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 1875272506 PFXBLVOKKMNDSN-HNNXBMFYSA-N 328.416 2.752 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CCCC[C@H]1CCN1CCCC1=O 952983792 XQRJMVKMKBMSLH-AWEZNQCLSA-N 337.851 2.686 0 50 EFAA COc1nn(C)cc1CNC(=O)C1(c2ccccc2Cl)CCC1 890025096 YCCOCQWQYMMPNF-UHFFFAOYSA-N 333.819 2.820 0 50 EFAA COc1nsc(CNc2ccc(C3(O)COC3)cc2)c1Cl 1414100000 HUOUTUYGKMWITC-UHFFFAOYSA-N 326.805 2.635 0 50 EFAA CC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 277374771 HXUYPOWIJHJTEC-KURKYZTESA-N 332.444 2.650 0 50 EFAA Cc1nc([C@H]2CCCN2C(=O)NCc2cccnc2N(C)C)cs1 186187716 TWAXUPFKARUPIM-OAHLLOKOSA-N 345.472 2.959 0 50 EFAA O=C(CCC(F)(F)F)N[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)C1 1487365232 OXOVAZNORTWGRA-CHWSQXEVSA-N 343.349 2.581 0 50 EFAA COc1ccc(CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)cc1 170613248 ISNUSPKABUPWBQ-GOSISDBHSA-N 328.368 2.872 0 50 EFAA Cc1cc(NC(=O)CN[C@@H]2CCC[C@@H]2Cc2ccccc2)n(C)n1 170607292 SZTPVVQREQEVGU-IAGOWNOFSA-N 326.444 2.668 0 50 EFAA O=C(NC1CC1)[C@H](N[C@@H]1COc2ccccc21)c1ccc(F)cc1 170789509 GDEMZFXTKZPTOK-SJLPKXTDSA-N 326.371 2.869 0 50 EFAA Cn1cnc(-c2cccc(NC3CCN(Cc4ccccn4)CC3)c2)n1 187375600 CYNSBBGYCPBZRB-UHFFFAOYSA-N 348.454 2.954 0 50 EFAA O=C(NCc1cccc(CN2CCCC2=O)c1)c1c[nH]c2nccc-2c1 408519437 POQADEHBALBEGI-UHFFFAOYSA-N 348.406 2.567 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@H]1C[C@H]1c1ccco1)[C@@H]3C2 221355522 RXANDQJBEIHWCY-XPNGNPLTSA-N 349.452 2.750 0 50 EFAA CO[C@H](C(=O)NCCc1nc2c(F)cccc2n1C)c1ccccc1 110823890 OHNJNLFFUXBIMV-SFHVURJKSA-N 341.386 2.759 0 50 EFAA CCN(CC)CCCN(CC)C(=O)C[C@H](C)NC(=O)c1ccccc1 225576539 GNDDNYPYEKWMAE-KRWDZBQOSA-N 347.503 2.775 0 50 EFAA C[C@H](NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C(C)(C)C 190710629 AHKWQZTYBSYAFX-DOTOQJQBSA-N 332.492 2.980 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(F)c2F)C[C@@H]1C 191326784 MMDLAVKCWVAHHF-SDDRHHMPSA-N 340.370 2.866 0 50 EFAA O[C@@H](COc1ccccc1)Cn1nc(C(F)(F)F)c2cnccc21 193006419 VBABUFFFORMBEQ-LLVKDONJSA-N 337.301 2.890 0 50 EFAA Cc1nc(Cc2noc([C@H]3CCCO[C@@H]3c3ccccc3)n2)no1 193161464 RXDJINMEVUZMHE-XJKSGUPXSA-N 326.356 2.987 0 50 EFAA 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338.473 2.552 0 50 EFAA c1ccc(-n2nc(C3CC3)nc2-c2ccccc2-c2nnn[nH]2)cc1 67920049 UCDYKHHIZYIXDT-UHFFFAOYSA-N 329.367 2.992 0 50 EFAA CCCc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)no1 67726119 JBXNDXWLOQJPTC-UHFFFAOYSA-N 327.363 2.926 0 50 EFAA O=S1(=O)CC[C@@H](CN2CCC[C@@H](c3ccc(F)cc3)CC2)C1 253433161 SSQZZJXAGHYAGU-LSDHHAIUSA-N 325.449 2.830 0 50 EFAA C[C@H](C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21)c1cccnc1 174030884 ORFPEBOQWSUWRF-ZDUSSCGKSA-N 344.436 2.568 0 50 EFAA C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)c1ccccc1 362427716 FEEIUPOYSFNICJ-QGTPRVQTSA-N 342.443 2.779 0 50 EFAA Cc1ncsc1CN(Cc1cccc2c1OCO2)C[C@H]1CCNC1 328655999 YXQNKMXCWAFJGG-AWEZNQCLSA-N 345.468 2.792 0 50 EFAA CCc1nc(NC(=O)N2C[C@H](C)OC3(CCOCC3)C2)sc1C 363948100 QAUHNYYWSJUIAY-NSHDSACASA-N 339.461 2.816 0 50 EFAA Cc1nc([C@H](C)N2CCN(CCO)CC2)oc1-c1ccc(Cl)cc1 155475420 GQLQAWDDAXZMQQ-AWEZNQCLSA-N 349.862 2.974 0 50 EFAA Cc1noc(C)c1CO[C@@H]1CCN(C[C@@](C)(O)c2ccccc2)C1 368853293 JAMZKADFYNHJPT-IEBWSBKVSA-N 330.428 2.790 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 369084823 OHATUXRDUNAOAU-CYBMUJFWSA-N 326.322 2.774 0 50 EFAA c1ccc([C@@H]2COCCN2Cc2cnc(N3CCOCC3)s2)cc1 372403925 IJYYPQCOMQJELT-KRWDZBQOSA-N 345.468 2.553 0 50 EFAA CC(=O)c1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 157476399 DNLMVSPSQCDEQJ-UHFFFAOYSA-N 340.398 2.986 0 50 EFAA CC[C@@H](C)Sc1nnc(NC(=O)C2CCN(C(C)=O)CC2)s1 33359525 VLDOADRYOMZFSU-SECBINFHSA-N 342.490 2.626 0 50 EFAA Cn1nnc2ccc(C(=O)N3CCC[C@H](CC(F)(F)F)C3)cc21 333697681 GTBPJWSBGUTDIH-SNVBAGLBSA-N 326.322 2.773 0 50 EFAA Cc1cc(C)cc([C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)O)c1 263169613 WBWZKZYHDHANTR-KRWDZBQOSA-N 341.363 2.630 0 50 EFAA CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(N)=O 285867456 ZNPKLJOBAHRFHS-UHFFFAOYSA-N 342.239 2.558 0 50 EFAA O=S1(=O)CCN(c2cccc(C(F)(F)F)n2)CCC12CCC2 334111203 BZAOKKSTIJMSGO-UHFFFAOYSA-N 334.363 2.648 0 50 EFAA CC(=O)Nc1ccccc1CN1C[C@@H](NC(C)=O)Cc2ccccc21 378565969 RAQHCKMNZPVIMK-SFHVURJKSA-N 337.423 2.712 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cccc(N2CCCC2=O)c1 237941913 MADFTVNSPFECEW-HNNXBMFYSA-N 344.411 2.673 0 50 EFAA O=C(N1CCN(c2ccc(F)cn2)CC1)C1(C(F)(F)F)CCC1 450409069 WWRUJFPZVHXZBN-UHFFFAOYSA-N 331.313 2.602 0 50 EFAA Cc1nc2cc(-c3nn4c([C@@H]5CCCO5)nnc4s3)ccc2[nH]1 71746568 YOQAALBLZCPXDW-LBPRGKRZSA-N 326.385 2.889 0 50 EFAA CCc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 72407240 PFVWGJYOVIIXQE-CYBMUJFWSA-N 335.411 2.935 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)s1 222627862 BTKDGANNUHTGOH-HZPDHXFCSA-N 347.436 2.515 0 50 EFAA COC(=O)CC[C@H]1CN(Cc2c(F)cccc2F)CC[C@H]1N(C)C 14881032 CUILZECLLOFRDO-SUMWQHHRSA-N 340.414 2.670 0 50 EFAA CCOc1ncccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 177768309 LDUSHMZBSGHWEV-AWEZNQCLSA-N 328.372 2.561 0 50 EFAA C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O 263432703 KZLOLSYDAYUTFR-CXAGYDPISA-N 345.370 2.747 0 50 EFAA C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc23)CCC1(F)F 290289917 WKJQLAGUYHZGPC-SNVBAGLBSA-N 330.356 2.635 0 50 EFAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ocnc1C1CC1 497250704 IKKBRCNTPAUNJA-OLZOCXBDSA-N 347.415 2.776 0 50 EFAA COCCS(=O)(=O)c1ccc(C(=O)N(C)c2cccc(C)c2)cc1 263942313 XKKZONFKWLIAHE-UHFFFAOYSA-N 347.436 2.692 0 50 EFAA O=C(CCc1ccc(-c2ccccc2)cc1)NC[C@@H]1COCCO1 221381238 DXLAJGZQRGKOBK-LJQANCHMSA-N 325.408 2.818 0 50 EFAA Cc1cc(C)cc(OC[C@H](O)CN2CCC[C@@H](c3ccn[nH]3)C2)c1 229219605 RVHOPFXMQIKDGG-IAGOWNOFSA-N 329.444 2.646 0 50 EFAA O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1COC2(CCCCC2)C1 222383112 WVKWFKUXSSRMTG-OAHLLOKOSA-N 340.423 2.610 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)N3CCC(C)(O)CC3)cc2C)c1 180601143 WYWDLDGTNOUSLY-UHFFFAOYSA-N 327.428 2.785 0 50 EFAA CN(CCCNC(=O)[C@@H]1CC(=O)OC12CCCC2)c1ccccc1 97654128 CMBBVTFNPJGANV-INIZCTEOSA-N 330.428 2.505 0 50 EFAA Cc1ccc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 230196731 CIFBGRACDXOUCQ-BEFAXECRSA-N 338.455 2.710 0 50 EFAA Cc1nc(CNC(=O)c2ccc(-c3cc[nH]n3)cc2)nc2c1CCCC2 95377953 GURMQRDQUQDEJJ-UHFFFAOYSA-N 347.422 2.984 0 50 EFAA COc1ccc(N2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239296991 DODZACSBQUZIMD-AITUJVMLSA-N 347.370 2.655 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1cccc(C)n1)CC2 426677444 KNFSWQLRRCEFCY-XKGZKEIXSA-N 344.455 2.969 0 50 EFAA CCN(CC)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239164828 MZLGRZORYBYRDL-WRFANHODSA-N 328.412 2.994 0 50 EFAA O=C(NCc1cc(F)ccc1F)N1CCN(CC2CCCC2)CC1 426372542 YJJIASYLGVQKOQ-UHFFFAOYSA-N 337.414 2.982 0 50 EFAA C[C@H]1CCC[C@H](C)C1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 182953563 RKYKXHPPFHZISX-KBPBESRZSA-N 343.471 2.932 0 50 EFAA Cn1c(C(=O)N2CCC(c3ncon3)CC2)cc2cc(F)ccc21 426628338 UJBQFIJKNYFPCY-UHFFFAOYSA-N 328.347 2.720 0 50 EFAA Cc1nc2c(c(NCc3ccc(CS(C)(=O)=O)cc3)n1)CCCC2 267924967 FYARSHHRHRKRBL-UHFFFAOYSA-N 345.468 2.821 0 50 EFAA CCOCC1(CNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)CCC1 91473831 CDZDNHRADAWFLY-AWEZNQCLSA-N 334.391 2.575 0 50 EFAA Cc1oncc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95388310 UXJWIQQAXYBXTC-IAGOWNOFSA-N 325.412 2.720 0 50 EFAA Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@@H](C(=O)O)C1 237659133 AEAXJPWKRHBCFQ-CYBMUJFWSA-N 330.409 2.589 0 50 EFAA COc1ccc(-c2n[nH]cc2CN(C)CCc2cnn(C)c2)cc1F 23158392 MXCXASIJBLJXBG-UHFFFAOYSA-N 343.406 2.632 0 50 EFAA Cn1cc([C@@H](NC(=O)CCCc2ccc(F)cc2)[C@H]2C[C@@H](O)C2)cn1 243892966 AMUBAWRPOIWDRI-YJLNNSPDSA-N 345.418 2.510 0 50 EFAA CCCCc1nc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 183535434 GEQPSQDUGMXVCT-INIZCTEOSA-N 348.834 2.739 0 50 EFAA CCN1c2ccccc2N[C@@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccccc1 248376590 CZSBSEYAXYCKAK-OTWHNJEPSA-N 335.407 2.885 0 50 EFAA O[C@H]1C[C@@H](c2cc(NCC3(COc4ccccc4)CC3)ncn2)C1 252538480 NBVQNETYHZWIRL-GASCZTMLSA-N 325.412 2.986 0 50 EFAA O=C(CC1CCCCC1)NCCNC(=O)c1c(F)ccc(F)c1F 184698295 NYYUBVHBMUDDMB-UHFFFAOYSA-N 342.361 2.920 0 50 EFAA COCc1nc(O)cc([C@H]2C[C@H](Nc3ncnc4sccc34)C2)n1 253535390 OAQHCZNLOAXWHZ-MGCOHNPYSA-N 343.412 2.691 0 50 EFAA Cc1nn(C)c(C)c1CN(C)C(=O)NC(C)(C)CN1CCCCCC1 534637853 RKDPHZBYCLJCDN-UHFFFAOYSA-N 349.523 2.833 0 50 EFAA CC[C@@H](CN(C)C)NC(=O)N1CCC(c2ccccc2OC)CC1 534588894 OABCBHVDKVGWRB-INIZCTEOSA-N 333.476 2.924 0 50 EFAA COc1ccc(C(=O)N[C@H]2CNCC[C@H]2c2ccc(F)cc2)cc1 367944160 XDHXNVYQRFNBEI-ROUUACIJSA-N 328.387 2.710 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1 299772747 ATWUNIZCEYRKHI-ZDUSSCGKSA-N 338.411 2.980 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cc(F)ccc1-n1cccn1)CC2 299769679 RDLLFVKCHBXOQA-NZSAHSFTSA-N 345.418 2.516 0 50 EFAA COc1cccc(CCCNC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)c1 584891024 NZDVCKQJSMTCOQ-VQFNDLOPSA-N 332.444 2.694 0 50 EFAA Cc1ccccc1-c1noc([C@H](C)n2cc(C(=O)N(C)C)cn2)n1 1875290921 IQSQMDDUSCQGEC-LBPRGKRZSA-N 325.372 2.553 0 50 EFAA CNC(=O)C1CCC(NC(=O)NCc2ccccc2C2CC2)CC1 1875276933 OMIODVMKFYYCRL-UHFFFAOYSA-N 329.444 2.668 0 50 EFAA O=S(=O)(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1875271205 ASHZCZJGKOMSDX-VIFPVBQESA-N 349.334 2.502 0 50 EFAA O=C1C[C@H](COC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CO1 1875321124 VNQCVQGOMQETPJ-QMMMGPOBSA-N 327.258 2.907 0 50 EFAA Cc1cc(Cl)cnc1NC(=O)NCCc1nc(-c2ccco2)n[nH]1 1875365286 ZAGCXKCUUFRPFD-UHFFFAOYSA-N 346.778 2.786 0 50 EFAA Cc1nc(C)c(F)c(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)n1 888076752 YNPROLPPCVCSCK-AAEUAGOBSA-N 333.367 2.683 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](Nc3nc(OC)ncc3Cl)C2)o1 1775957557 ARXKKWSBTUSNNQ-ZJUUUORDSA-N 337.811 2.907 0 50 EFAA Cc1ccc(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(C)n1 276033858 RHNGAMOUUYTWPL-CQSZACIVSA-N 345.403 2.810 0 50 EFAA NC(=O)c1cc(N2C(=O)NC3(CCCCCC3)C2=O)ccc1Cl 278192150 QAEVEXJNMJVULV-UHFFFAOYSA-N 335.791 2.588 0 50 EFAA COc1ncc(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473908 RIFHBPUEFAQXEU-ZIAGYGMSSA-N 326.400 2.505 0 50 EFAA CCc1nc(N)cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 408514149 POEZRAVUDZQXMZ-JTQLQIEISA-N 340.353 2.678 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)c2cccc(Cl)c2O1 170608928 IZHZJTKWARAIHL-MRVPVSSYSA-N 336.800 2.928 0 50 EFAA C[C@H]1CN(Cc2ccccc2Br)C[C@@]2(CCOC2)O1 280122955 BUUXQBQGMTVKSY-SWLSCSKDSA-N 326.234 2.829 0 50 EFAA COc1ccc2nc(N3C[C@H](OC)C[C@H]3c3ncc[nH]3)c(C)nc2c1 643744862 BDJHDCHMNOLEMB-CJNGLKHVSA-N 339.399 2.636 0 50 EFAA Cc1cnc(CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)s1 192726905 VEXXFMDXMUWBOZ-UHFFFAOYSA-N 334.825 2.864 0 50 EFAA CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(Br)o1)CC2 192983812 NWOROZPGALYDFD-VHSXEESVSA-N 339.237 2.862 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)c2nccc3ccccc23)(C(=O)O)C1(C)C 193024020 FLIMMRZXQOSMGT-IFXJQAMLSA-N 342.395 2.623 0 50 EFAA CC1(C)C[C@]1(C(=O)O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 663035161 VZFPQWNKJWWIOA-GOSISDBHSA-N 342.351 2.971 0 50 EFAA Cc1nnc(CN(C)C(=O)Nc2ccc(Cn3cccn3)cc2)s1 665872090 SBMOBIMWVJFHKA-UHFFFAOYSA-N 342.428 2.755 0 50 EFAA CC(C)n1c(CNC(=O)[C@@H]2CCn3cncc3C2)nc2ccccc21 676707798 JROJMDFCZUBSPW-CQSZACIVSA-N 337.427 2.693 0 50 EFAA Cc1noc(C)c1CC(=O)NCc1c(C(=O)O)oc2ccccc12 738390615 ZFHIWMTZNBHYEU-UHFFFAOYSA-N 328.324 2.595 0 50 EFAA CSCC[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)C(=O)O 1506408130 VMCYJHIUMROHDO-GOSISDBHSA-N 348.512 2.940 0 50 EFAA COCCn1cncc1CNC1CCN(c2ccc(C)cc2)CC1 1506407714 JSWOVIYFYWCIIT-UHFFFAOYSA-N 328.460 2.597 0 50 EFAA Cc1ccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c2ccccc12 1704325730 MFFBNLGHAJADOI-KDURUIRLSA-N 325.364 2.510 0 50 EFAA O=C(Cn1c(=O)sc2ccccc21)OCC(Cl)(Cl)Cl 5739988 BXEJPQGLNHHZSC-UHFFFAOYSA-N 340.615 2.976 0 50 EFAA Cc1nonc1CC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 12587808 RFICXYYAQJSDBQ-ZDUSSCGKSA-N 347.802 2.695 0 50 EFAA O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1 12863949 AHTSXTDENKEMBD-UHFFFAOYSA-N 340.398 2.994 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](C3CCN(CC(C)C)CC3)C2)n(C)n1 15076354 PURVFHWXNLAEEE-KRWDZBQOSA-N 332.492 2.559 0 50 EFAA Cc1ccc(S(=O)(=O)N/N=c2\cc(C)c3ccccc3n2C)cc1 1606109 DTUALDGOTSKEDI-VHEBQXMUSA-N 341.436 2.589 0 50 EFAA CO[C@@H]1CC[C@H](c2nc(-c3ccccn3)nn2-c2ccccc2)C[C@H]1N 1857723073 VYYSOENXKLDUHY-YXJHDRRASA-N 349.438 2.939 0 50 EFAA CCCO[C@@H]1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)C[C@H]1N 1857729480 CIEWQCGECONYJL-IPMKNSEASA-N 345.487 2.710 0 50 EFAA CN1CC[C@H](C(=O)N(C)c2nc3cc(Cl)ccc3s2)CC1=O 408404172 FHFFIOZKYYPBPQ-VIFPVBQESA-N 337.832 2.781 0 50 EFAA O=C(O)CC1(NC(=O)c2ccc3c(c2)OCCCO3)CCCCC1 325695172 PLQHHWYRVAXYOI-UHFFFAOYSA-N 333.384 2.755 0 50 EFAA CCC(CC)C(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1 332309082 WXTNOSJWBHLXES-UHFFFAOYSA-N 342.443 2.720 0 50 EFAA Fc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 129672342 FYOAFLZHJWDGGV-OAHLLOKOSA-N 345.418 2.635 0 50 EFAA CCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 252493090 MYZKZBDDGGRYAO-LBPRGKRZSA-N 339.395 2.774 0 50 EFAA Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@@](C)(O)C1 252509921 YYOMMMOKFWXZGJ-LLVKDONJSA-N 340.392 2.589 0 50 EFAA Brc1cnc(N2CCC3(C2)Oc2ccccc2O3)cn1 856759609 WSZQPCNECVDUOJ-UHFFFAOYSA-N 334.173 2.617 0 50 EFAA O=C(Cc1coc2ccccc12)N1CCOC2(CCOCC2)CC1 375996793 BLNHHWDBSDHCHL-UHFFFAOYSA-N 329.396 2.773 0 50 EFAA CN(C)[C@H]1CCCN(C(=O)NCc2coc(-c3cccs3)n2)C1 264265848 NUCXWHSBOAKYJJ-ZDUSSCGKSA-N 334.445 2.639 0 50 EFAA Cc1nc2n(n1)C[C@H](C(=O)N1CCCc3c(Cl)ccc(F)c31)CC2 903245213 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327.336 2.693 0 50 EFAA Cn1ccnc1SCC(=O)Nc1ccccc1Br 401157 HTEILXHBPJFAFW-UHFFFAOYSA-N 326.219 2.913 0 50 EFAA CCOC(=O)c1sc(C)c2c(=O)n(CCc3ccccc3)nnc12 447861 RWCNJGWIROVLPX-UHFFFAOYSA-N 343.408 2.581 0 50 EFAA COc1ccc(-c2nc(COC(=O)/C=C/c3cccnc3)no2)cc1 112816139 OQENCNILTKVEOY-RUDMXATFSA-N 337.335 2.897 0 50 EFAA CCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 8130623 RQBHLZIRFGSQKR-UHFFFAOYSA-N 339.277 2.982 0 50 EFAA Fc1ccc(-c2nn(CC3OCCO3)cc2Br)cc1 116508832 MYBNCIZFPZAKPJ-UHFFFAOYSA-N 327.153 2.825 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 248160551 XKMRLBCJYDSABS-RBUKOAKNSA-N 338.455 2.500 0 50 EFAA CCSc1nc(CC(=O)N[C@H]2C(=O)Nc3cccc(C)c32)cs1 102574945 BRIOCWOQIWBMDO-CQSZACIVSA-N 347.465 2.916 0 50 EFAA O=C(O)Cc1coc(NC(=O)CSc2nc3ccccc3s2)n1 23114789 RUTDXCHBHBUBOA-UHFFFAOYSA-N 349.393 2.642 0 50 EFAA COC(=O)[C@@H](CNC(=O)c1ccccc1C)Cc1ccc(O)c(F)c1 422040963 NSXXIQJWNZRDAA-CQSZACIVSA-N 345.370 2.601 0 50 EFAA C[C@H](C(=O)N1CCc2ccccc21)N1CC[C@@H](CN2CCCCC2)C1 229355854 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O=C(c1conc1C1CC1)N1CCC[C@H](c2nnc3ccccn23)C1 253404974 WTLCJWBGCYJTPQ-ZDUSSCGKSA-N 337.383 2.615 0 50 EFAA O=C(NC[C@@H]1CNCCOC1)Nc1ccccc1Oc1ccccc1 72145610 YBEADYHNJJFYKV-HNNXBMFYSA-N 341.411 2.836 0 50 EFAA COc1cccc(CC(=O)NCc2nc(C3CCCCC3)no2)c1 219267216 KXIPYRANLHKGMR-UHFFFAOYSA-N 329.400 2.985 0 50 EFAA O=C(NCc1cnc(C2CC2)o1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 333680892 PJOZNDQHZJUPSB-YOEHRIQHSA-N 344.459 2.710 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 237528497 AKKZWMHKOQAPGA-FZMZJTMJSA-N 333.432 2.825 0 50 EFAA COc1cc(CN2CC[C@](O)(c3ccccc3C)C2)cc2c1OCO2 215327392 DKAMILIJGCZFCI-HXUWFJFHSA-N 341.407 2.826 0 50 EFAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CC[C@H](O)[C@@H](CO)C1 334038187 NTBFKEFZWGPNKU-RMEMFKQDSA-N 337.504 2.821 0 50 EFAA Cn1ncc(CN2CCC[C@@H](OCc3cccnc3)C2)c1C1CC1 72167406 SDPHGLQTTBLBBE-GOSISDBHSA-N 326.444 2.874 0 50 EFAA CN1C[C@H](C(=O)N(C)c2nc3ccccc3o2)c2ccccc2C1=O 373202628 CTIKKAQSLNFIDK-AWEZNQCLSA-N 335.363 2.660 0 50 EFAA 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COC[C@@H]1CCCN1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 96135867 TZFABOWURRXLHM-LBPRGKRZSA-N 335.795 2.563 0 50 EFAA CCCO[C@@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 91656800 JNGKWLKICQLGAM-OAHLLOKOSA-N 329.400 2.814 0 50 EFAA CC[C@@H](C(=O)NC(C)(C)C)n1ccc2ccc(C(=O)OC)cc2c1=O 95361893 MQGCECIQFHJYNB-HNNXBMFYSA-N 344.411 2.654 0 50 EFAA Cc1ccccc1[C@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 245316820 KQUQAUJKYOFORL-SJLPKXTDSA-N 336.501 2.804 0 50 EFAA C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nnc(O)n1C1CC1 864095484 NKJLYDGWEWTSTA-JTQLQIEISA-N 349.822 2.875 0 50 EFAA Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc3c1O[C@@H](C)[C@H]3C)C2 253598278 FZCPIXAVVAZKQX-RDBSUJKOSA-N 325.412 2.821 0 50 EFAA Cn1ncc2ncc(C(=O)N3CCCC[C@H]3c3nccs3)cc21 1940196482 OBLOLVZKUAIUBY-ZDUSSCGKSA-N 327.413 2.792 0 50 EFAA COc1ccc(NC(=O)N2CCC[C@@H](c3cc(O)nc(C)n3)C2)cc1 299792572 FFKJVSGCBWSENY-CYBMUJFWSA-N 342.399 2.911 0 50 EFAA COc1cccc(-c2ccccc2NC(=O)N2CCOC[C@@H]2CO)c1 299756608 FMCSPATULHFCKP-HNNXBMFYSA-N 342.395 2.587 0 50 EFAA CCc1nnc(CNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)s1 299765293 LSGUVZPDDNWCHY-GFCCVEGCSA-N 346.460 2.975 0 50 EFAA CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCNC2 299770842 RMPZFHQYYALEDJ-UHFFFAOYSA-N 327.453 2.688 0 50 EFAA O=C(NC1CC1)C1(C(=O)N2CCC[C@H](c3ccncc3)CC2)CCC1 952994641 SGHSVACTYAIMEG-HNNXBMFYSA-N 341.455 2.627 0 50 EFAA O=C(O)[C@]1(C(=O)Nc2cccc(COc3ccccc3)c2)CCCO1 1875292222 AOIXKAKGPMRHKF-LJQANCHMSA-N 341.363 2.838 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3ccncc3[C@@H]2C)cc1 1875373584 GVXCTVFJSVQMRO-AWEZNQCLSA-N 335.407 2.990 0 50 EFAA C[C@H]1CN(c2cc(Cl)ccc2Cl)CCN1C[C@H]1CNC(=O)C1 888096919 SAFQYQLLTFOTDO-NWDGAFQWSA-N 342.270 2.640 0 50 EFAA CCCC(=O)N[C@H]1CCCN(Cc2cn(C)nc2C2CCCC2)C1 891856664 XJKOEXNENAZCLE-KRWDZBQOSA-N 332.492 2.958 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2ccsc2)no1 1775994051 QTUXVYBJJFYWFZ-QWRGUYRKSA-N 337.401 2.841 0 50 EFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1oc(COc2ccccc2)cc1C 1565507712 DUBBYRRWLDMEOJ-IRXDYDNUSA-N 345.395 2.701 0 50 EFAA CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(=O)O 170069018 YIDATBIDNOIOFH-SNVBAGLBSA-N 342.798 2.675 0 50 EFAA CS(=O)(=O)Nc1nc2cc(F)c(Br)cc2s1 170611179 CVNCENNRIUBJIM-UHFFFAOYSA-N 325.184 2.569 0 50 EFAA COc1cccc(CCC(=O)NCc2ccnc(-n3cccn3)c2)c1 170605844 CZEYZXBXOXBCIH-UHFFFAOYSA-N 336.395 2.525 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)N(C)C2CCCCC2)c1 282197099 NRSWXOIMDXMHCK-MJGOQNOKSA-N 346.471 2.594 0 50 EFAA O=C(CCN1CCCN(C2CCCC2)CC1)N1CCc2ccccc21 172584406 TYWBEQRFZIHNTF-UHFFFAOYSA-N 341.499 2.916 0 50 EFAA CCN(CC)CCCN(CC)C(=O)C[C@@H](C)NC(=O)c1ccccc1 225576562 GNDDNYPYEKWMAE-QGZVFWFLSA-N 347.503 2.775 0 50 EFAA C[C@@](O)(CNC(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccco1 225505817 GIYREJRTYIRGMP-CYBMUJFWSA-N 348.708 2.984 0 50 EFAA CN(C[C@@H]1CCCCO1)[C@@H]1CCN(C(=O)c2nc(Cl)cs2)C1 972168978 QIFZTIBHUADCDO-NEPJUHHUSA-N 343.880 2.512 0 50 EFAA O=C(NCCc1nccn1Cc1ccccc1)[C@@H](O)C1CCCCC1 189710169 MUGDBSUAMDGQCY-IBGZPJMESA-N 341.455 2.531 0 50 EFAA CC(C)c1cccc2c1CCN(C(=O)N[C@@H](C)c1nncn1C)C2 190069331 SXNDDEMTMIEITR-ZDUSSCGKSA-N 327.432 2.767 0 50 EFAA CCCn1cc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)cn1 191126370 KXVXLRXYVYGSIN-ZDUSSCGKSA-N 339.754 2.641 0 50 EFAA C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(Cl)c2cccnc12 192081478 CAZFMTJRJKLJDO-GFCCVEGCSA-N 338.860 2.897 0 50 EFAA Cc1cc(O)nc([C@H](C)N(C)Cc2cc(Br)cn2C)n1 192621290 UTTZGTJNHQPZQP-JTQLQIEISA-N 339.237 2.785 0 50 EFAA O=C(CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)c1cccs1 192858560 FINCBSFFQKGALT-AWEZNQCLSA-N 343.404 2.749 0 50 EFAA O=S1(=O)CC[C@H](NCCC[C@@H]2CCCC[C@@H]2O)c2ccccc21 195568627 RWPMSARSHJBIGH-XIRDDKMYSA-N 337.485 2.826 0 50 EFAA CC1=CC[C@](C)(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CC1 659131444 WNCJTBDAWPKSNW-IBGZPJMESA-N 344.411 2.505 0 50 EFAA C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)[C@H](O)c1cccc(F)c1 760464072 RCBHSVVKTVHAIE-OQPBUACISA-N 341.791 2.962 0 50 EFAA CNS(=O)(=O)c1cccc(CNc2ccnc3c(F)cccc23)c1 215657290 VBFZAIFSZYCPFG-UHFFFAOYSA-N 345.399 2.894 0 50 EFAA Cc1cc(C[C@@H]2CN(CCOc3cccc(C)c3C)C[C@@H]2O)on1 1704297259 XYAMKPNMGLAXGS-AEFFLSMTSA-N 330.428 2.514 0 50 EFAA COC(=O)c1ccc(I)c(Br)c1 15042973 OIMBMPVAESWCEA-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro Cc1cccc(S(=O)(=O)Nc2ccccn2)c1Br 158438473 CUKPVDDBFRJHTQ-UHFFFAOYSA-N 327.203 2.953 0 50 EFAA CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cs1 11933099 VWJKASQHMZOHKM-GFCCVEGCSA-N 335.473 2.503 0 50 EFAA NC(=O)CCNC(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 12297849 LABXDBWOASPIQD-MRXNPFEDSA-N 330.815 2.854 0 50 EFAA C[C@H]1CCCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 12429941 XVVGDFINFMQTEF-LBPRGKRZSA-N 344.367 2.997 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12576109 VVDAWQVNCQCVMB-GOSISDBHSA-N 341.499 2.642 0 50 EFAA Cn1cc(CCC(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1 14953542 OFXUYSUPWIPWAT-LJQANCHMSA-N 341.455 2.603 0 50 EFAA O=C(Oc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 15574787 NPWYZNGCZSVUJK-UHFFFAOYSA-N 345.420 2.693 0 50 EFAA Cc1nc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc2n1C 16276183 DZYRPUJVOFMNGW-UHFFFAOYSA-N 338.367 2.932 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 16622073 ALGGJJNMJBRNAW-UHFFFAOYSA-N 349.408 2.884 0 50 EFAA CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCCCCC2)c1 16649413 ORWPRNYPILPERX-UHFFFAOYSA-N 342.436 2.529 0 50 EFAA O=c1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)coc2ccccc12 19732443 ZEHUWWBKNAIOAA-CABCVRRESA-N 348.402 2.574 0 50 EFAA C[C@H]1CN(C2(C(=O)NC3CCCC3)Cc3ccccc3C2)C[C@@H](C)O1 19837580 OSWXEBRAPDVVNO-IYBDPMFKSA-N 342.483 2.692 0 50 EFAA C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ocnc2C2CC2)C1 408521818 KHWQOKRLGZGDKM-YPMHNXCESA-N 334.416 2.992 0 50 EFAA O=C(Cc1ccc(Cl)c(F)c1)OCC(=O)N1CCCCCC1 225733256 AHIDBVXPDBIUQC-UHFFFAOYSA-N 327.783 2.967 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCc2ccc(F)cc2C1 128221237 OAQCEEXYSMIQTL-QGZVFWFLSA-N 340.402 2.567 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 132228177 SHHFFWPDJRRXMT-YJYMSZOUSA-N 327.428 2.904 0 50 EFAA Cc1ccccc1C[C@@H](CO)NCc1cnc([C@@H]2CCCO2)s1 342304829 HEFCGCQYZGEUQU-RDJZCZTQSA-N 332.469 2.996 0 50 EFAA O=C(NCc1ccco1)[C@@H]1CCCN1c1ccc(OC(F)F)cn1 134901464 LQGHJCPHHLLJKD-ZDUSSCGKSA-N 337.326 2.561 0 50 EFAA CCOc1ncccc1-c1nc(C2(NC(C)=O)CCCCC2)no1 348883780 DKWNLMNLILRSSX-UHFFFAOYSA-N 330.388 2.826 0 50 EFAA O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1SCCc2ccccc21 365607879 UUDAMOGYONHTHJ-OAHLLOKOSA-N 337.408 2.836 0 50 EFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[C@@H](N)C1 158061282 FYMYKYXXLNYKKY-GXTWGEPZSA-N 339.277 2.968 0 50 EFAA O=C(NCc1cn2c(n1)CCCC2)c1cccnc1N1CCCCC1 263871693 UCTTWLWIZKHKJU-UHFFFAOYSA-N 339.443 2.535 0 50 EFAA Cc1cccc2oc(C(=O)N3CC[C@H](C(=O)Nc4cn[nH]c4)C3)cc12 821385868 OPYCCZHWEUGCLC-LBPRGKRZSA-N 338.367 2.565 0 50 EFAA CCc1nocc1C(=O)NCc1cc(Br)cc(OC)c1 830418994 QHJPCIJTDPXKSZ-UHFFFAOYSA-N 339.189 2.938 0 50 EFAA C[C@H](NC(=O)N=c1nc[nH]n1C)c1cc(Cl)cc(Cl)c1F 930511093 XYTBQIAGIVXPBU-LURJTMIESA-N 332.166 2.566 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2Cl)c1 609880 GBUOMBPVOTYCOI-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA Cc1cnccc1N1CCN([C@@H](C)c2nc(-c3ccco3)no2)CC1 2325772028 NTYMURUAKRPHPP-AWEZNQCLSA-N 339.399 2.916 0 50 EFAA CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Cc1ccc2nn[nH]c2c1 2325798178 SRSUXJYAWZYCMX-VOJFVSQTSA-N 342.374 2.532 0 50 EFAA Cc1cnccc1CCNc1ccc(S(=O)(=O)N2CCCC2)cc1 892977903 XIYOGDRRUGQTCO-UHFFFAOYSA-N 345.468 2.829 0 50 EFAA O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 182837 JVERQDFUUGRBBY-UHFFFAOYSA-N 325.773 2.620 0 50 EFAA COC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1 317149 ITJPVPYOPGEAEI-UHFFFAOYSA-N 329.352 2.808 0 50 EFAA Cn1c(SCC(=O)N2CCCC2)nnc1-c1c[nH]c2ccccc12 2875552 UGAITJBZJDPPDF-UHFFFAOYSA-N 341.440 2.678 0 50 EFAA CCOc1cccc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356160410 QRIOCJCRJNWUBY-HXUWFJFHSA-N 342.439 2.845 0 50 EFAA Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1 4866494 XUWALOPSQPUISQ-UHFFFAOYSA-N 347.371 2.663 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)C 6702307 PXKBTXDVPKXGJI-UHFFFAOYSA-N 338.473 2.698 0 50 EFAA CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 10494613 SRWKVQHNFNGIOJ-LSDHHAIUSA-N 330.428 2.839 0 50 EFAA COc1cc(OC)c(-c2nc3c([nH]2)c(C2CC2)nn3C)cc1OC 55042700 VEDCHSHPMGZVIU-UHFFFAOYSA-N 328.372 2.867 0 50 EFAA COCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(OC)cc1)C2 102673297 HQKFVUGMCYPMDN-BJWYYQGGSA-N 333.428 2.595 0 50 EFAA CCc1oc(C(=O)N2CCCC[C@H]2C(=O)O)cc1CN(CC)CC 55309081 XSYXHEGGXCOPCR-AWEZNQCLSA-N 336.432 2.763 0 50 EFAA O=C(NCc1ccccn1)c1ccc(CSc2ncccn2)o1 55283656 RSBKJYMOSLSBPX-UHFFFAOYSA-N 326.381 2.687 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(-c2cccs2)n[nH]1 248151630 ULFNBVSYMPZEEF-LSDHHAIUSA-N 330.457 2.837 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Br)c1nncn1C 248270470 VLCSVAVQVNGRIZ-DLOVCJGASA-N 349.232 2.559 0 50 EFAA Cc1ccc(-n2nc(C(=O)N[C@H](C)[C@@H](C)O)c3c2CCCC3)cc1 346501656 ZYSPVIWURBMHMB-ZIAGYGMSSA-N 327.428 2.559 0 50 EFAA CCC(=O)NCc1cccc(-n2c(CCO)nc3c(C)cccc32)c1 65407086 WCKWNVRPPVLJGE-UHFFFAOYSA-N 337.423 2.895 0 50 EFAA O=C(NCCCc1ccccn1)c1ccc(NCc2ccncc2)nc1 67934888 ZTBYGJTXVNGDSV-UHFFFAOYSA-N 347.422 2.846 0 50 EFAA CN(CCO)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 20867536 NVQOIRAPAHHVJO-CYBMUJFWSA-N 330.350 2.530 0 50 EFAA O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccc(F)cc1 20279907 LHQPKUCSRBQLEO-QGZVFWFLSA-N 344.361 2.886 0 50 EFAA Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(N(C)C)n1 65362212 GAOJPBFAUMAQLU-UHFFFAOYSA-N 348.838 2.738 0 50 EFAA O=C(NC[C@@H]1CCCN(Cc2ccncc2Cl)C1)c1ccc[nH]1 67560283 FCJZDMMYNJPNRK-ZDUSSCGKSA-N 332.835 2.705 0 50 EFAA Cc1nnc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1C1CC1 328623240 BTGBSELGIKBCQQ-MRXNPFEDSA-N 326.448 2.860 0 50 EFAA CCc1nn(C)cc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328631072 QNYLIDWUSZMWRJ-LBPRGKRZSA-N 332.473 2.940 0 50 EFAA CS[C@H](C)CC(=O)N1CCC(n2cc(Br)cn2)CC1 253415324 WWFRLMZBNADLNU-SNVBAGLBSA-N 346.294 2.951 0 50 EFAA CC[C@@H]1COCCN1C(=O)NCCc1csc(C(C)(C)C)n1 153778752 RACLHDAPELZJLH-CYBMUJFWSA-N 325.478 2.804 0 50 EFAA CC[C@@](NC(=O)c1ccc(NC(C)=O)cc1)(C(=O)O)c1ccccc1 362340539 SSRSMGOZFKORTA-IBGZPJMESA-N 340.379 2.765 0 50 EFAA O=C(CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 77285965 AATKVHLDCNEZBO-CQSZACIVSA-N 329.375 2.918 0 50 EFAA CC(C)CO[C@@H](C)C(=O)Nc1ccccc1C(=O)N=S(C)(C)=O 863946988 BKGCTZLJSDUTJA-LBPRGKRZSA-N 340.445 2.554 0 50 EFAA O=C(COc1ccc2oc3c(c2c1)CCCC3)NC[C@H]1CCCNC1 129859079 RLBPBDUOWHQNBC-AWEZNQCLSA-N 342.439 2.806 0 50 EFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CC(O)(Cc2cccc(F)c2)C1 372408156 GLLJVWZIYRGHNQ-WZTPWUPHSA-N 345.418 2.522 0 50 EFAA c1c2c(cc3c1OCCC[C@@H]3NC[C@@H]1CN3CCC[C@H]3CO1)CCC2 372765665 BQCLWUVGPHWLNI-NSHGMRRFSA-N 342.483 2.842 0 50 EFAA COC(=O)NCCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 239672776 BVEUNPPGLAOCAN-UHFFFAOYSA-N 338.367 2.915 0 50 EFAA CSc1nsc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 374173904 QEZKHYYOAWDEKE-HBNTYKKESA-N 342.490 2.807 0 50 EFAA COc1ccc(-c2nccn2Cc2ccccn2)cc1Cn1cncn1 71759195 IUQHOLNLWQWUPU-UHFFFAOYSA-N 346.394 2.642 0 50 EFAA Cc1ccc(NC(=O)Cc2noc(C34CCCN3CCC4)n2)cc1 241144925 JUCGOFSIEQSJRV-UHFFFAOYSA-N 326.400 2.644 0 50 EFAA C[C@H](COc1ccccc1F)NC(=O)[C@@H](C)OC[C@H]1CCCCO1 241124327 JHJDKXCWYZQOFW-RBSFLKMASA-N 339.407 2.683 0 50 EFAA Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 375371899 XOXFWHQFHCCADT-LJQANCHMSA-N 326.396 2.882 0 50 EFAA Cc1ccnc(NCCNc2nc(C(C)(C)C)nc3c2cnn3C)c1 72149511 XQRWQAPYUOWCDZ-UHFFFAOYSA-N 339.447 2.888 0 50 EFAA O=C(c1cccc2ccsc12)N1CC[C@@H](C(=O)N2CCCC2)C1 286661127 GKJDLMNPNVJDPZ-CQSZACIVSA-N 328.437 2.986 0 50 EFAA Cc1cc(N2CCCN(c3nc(C)nc4onc(C)c34)CC2)ccn1 77454087 MHQFJKJTSSTJCQ-UHFFFAOYSA-N 338.415 2.655 0 50 EFAA C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)c1ccc(-c2cccnc2)cc1 176652443 XWFRJEMVQSAJBW-CYBMUJFWSA-N 346.390 2.734 0 50 EFAA O=C(CCOC[C@H]1CCCO1)NCc1csc(-c2ccco2)n1 131779622 QCCVDWGWLMCDGR-CYBMUJFWSA-N 336.413 2.605 0 50 EFAA CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C(F)(F)F)s1 290872806 BCILMKYNTUGFQS-ZETCQYMHSA-N 345.364 2.545 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1Cl)N[C@H]1CCCOCC1 181715606 XNXXSMZRJGXECT-LBPRGKRZSA-N 338.256 2.982 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)c(=O)[nH]c1C 91895071 BKMVMBAQVLAFIK-CYBMUJFWSA-N 344.415 2.518 0 50 EFAA C[C@H](c1cncs1)N(C)C(=O)c1cnc(-c2cccnc2)nc1 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0 50 EFAA C[C@H](C(=O)NCCc1nc[nH]c1Br)c1cccc(F)c1 1875274806 DCZWXGRDNZSYFR-VIFPVBQESA-N 340.196 2.774 0 50 EFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1csc(N2CCCCC2)n1 1875286262 MTSVFEBNTBCRLE-HAQNSBGRSA-N 337.445 2.507 0 50 EFAA CCn1nccc1[C@@H](C)NC1CCN(c2cc(C)nc(C)n2)CC1 1875285805 ZXGASHCFXGVZSN-CQSZACIVSA-N 328.464 2.629 0 50 EFAA C[C@@H](NC(=O)c1nnc(-c2ccns2)o1)c1nc2c(s1)CCC2 1875272456 WSKQHYIUWABPLF-SSDOTTSWSA-N 347.425 2.629 0 50 EFAA C[C@@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)c1cc[nH]n1 1875259777 BHYAKZYMDAAJGN-GFCCVEGCSA-N 327.388 2.809 0 50 EFAA CC1(C)CCN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)S1(=O)=O 1875392479 DZDRNOMTELBXHL-KGLIPLIRSA-N 325.405 2.660 0 50 EFAA O=C(C[C@H]1OCc2cc(Cl)ccc21)N1CCOC[C@@H]1c1cc[nH]n1 1875330112 MODRCSBBOMIBKV-HZPDHXFCSA-N 347.802 2.625 0 50 EFAA CC1(C)OC[C@H](CCNC(=O)c2cc(C(F)(F)F)nn2C2CC2)O1 1875310799 CTEDRTPEVKGVDY-JTQLQIEISA-N 347.337 2.508 0 50 EFAA CC(=O)Nc1ccc2nc(CNCCCn3ccnc3C)ccc2c1 952984574 YJVJZMKXVVRBQJ-UHFFFAOYSA-N 337.427 2.878 0 50 EFAA CCc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)ccc1OC 952991252 VYLIOMKBOMVEQM-OAHLLOKOSA-N 341.473 2.837 0 50 EFAA COc1ccc(OC)c(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c1 952981207 MJRAFVMAMJELKD-IBGZPJMESA-N 343.423 2.736 0 50 EFAA CC(=O)N1C[C@H](NC(=O)c2ccc(C)cc2F)CC[C@H]1C(F)(F)F 886034998 LXFKLHUMMUBGAX-RISCZKNCSA-N 346.324 2.806 0 50 EFAA Cn1cnc2ccc(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)nc21 888099509 NNKIMEIYYMKAIF-CYBMUJFWSA-N 328.416 2.580 0 50 EFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[C@H](C(F)(F)F)C1 888011863 PLYDEEJKHFYVGH-JTQLQIEISA-N 344.362 2.876 0 50 EFAA O[C@H](COc1ccc(Cl)cc1Cl)CN1CCc2nocc2C1 888100998 NDPPGWJWJSHFNT-LBPRGKRZSA-N 343.210 2.779 0 50 EFAA Cc1cc(N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n2ncnc2n1 896886075 PJHJXWOXEXAHMO-LJQANCHMSA-N 333.395 2.878 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@@](CO)(C(F)(F)F)C1 899610930 FDWAXKBCVOABFU-XJKSGUPXSA-N 345.361 2.926 0 50 EFAA O=S(=O)(C[C@H]1CCCC2(CCC2)O1)N1Cc2ccccc2CO1 1364005162 LKCJSCUAALBJRU-MRXNPFEDSA-N 337.441 2.755 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C(F)(F)F)C2 75941881 NHESCYRJICINBU-MNOVXSKESA-N 341.333 2.790 0 50 EFAA O=C(O)c1cccc(CCNC(=O)[C@H]2CCOc3ccccc32)c1 271951740 JLIPTADWONOBRN-INIZCTEOSA-N 325.364 2.610 0 50 EFAA O=C(CCc1ccncc1)N1CCC(O)(c2c(F)cccc2F)CC1 186435176 UVEZWOJWGVALMG-UHFFFAOYSA-N 346.377 2.803 0 50 EFAA C[C@@H](c1nnnn1C)N1CCC[C@H](COc2ccccc2Cl)C1 170605232 YTCUZIZDTLXTSQ-STQMWFEESA-N 335.839 2.716 0 50 EFAA NC(=O)CCN(C(=O)c1ccsc1)[C@H]1CCOc2ccccc21 411058276 LINWSLQYUUKFJJ-AWEZNQCLSA-N 330.409 2.590 0 50 EFAA Cc1nc(-c2cccc(C(=O)N(CCO)CC(F)F)c2)cs1 194374435 NUUTUMONIICOBS-UHFFFAOYSA-N 326.368 2.818 0 50 EFAA CCn1cc(CNC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)nn1 661719177 SNXHKYRJWHULCO-MLGOLLRUSA-N 331.395 2.730 0 50 EFAA CCCCCc1nnc(NC(=O)CCn2c(C)cccc2=O)s1 1506398497 COAPUJSOIRGYMQ-UHFFFAOYSA-N 334.445 2.770 0 50 EFAA CCc1nc(CN(C)[C@@H](C(=O)O)c2cc(Cl)ccc2OC)no1 1506410409 TYDCKWDWYFBCRD-CQSZACIVSA-N 339.779 2.552 0 50 EFAA CCC[C@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@@H]1C(=O)O 212052913 ZLTVRNFBJJMJDD-GJZGRUSLSA-N 327.384 2.650 0 50 EFAA CCc1ccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)nc1 1615957273 WFGBIEMFVUXTCP-SFTDATJTSA-N 337.467 2.902 0 50 EFAA CCc1cc(CN2CCCN(C(=O)c3ccccc3OC)CC2)on1 1775984091 HOSFCWHSKOPMRA-UHFFFAOYSA-N 343.427 2.594 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(OC(F)(F)F)cc1)C2 1772712851 SDBGZUJNRWBYHQ-DOMZBBRYSA-N 345.317 2.508 0 50 EFAA N[C@H]1[C@H]2CC[C@@H]1CN(c1noc(-c3ccc(Cl)cc3)c1C(=O)O)C2 1772702198 QFNHEHHCWLTHOY-GNXNZQSNSA-N 347.802 2.867 0 50 EFAA CCC(=O)N1CCC[C@@H]2CN(C(=O)Cc3ccccc3F)CC[C@@H]21 12166713 VYIWOKYISYWGSY-WBVHZDCISA-N 332.419 2.618 0 50 EFAA CSCCC(=O)NCc1cccnc1-n1cnc2ccccc21 12301713 ZVUWSUABEZJJNO-UHFFFAOYSA-N 326.425 2.790 0 50 EFAA CCC(=O)c1ccccc1OCCOCCN1C[C@H](C)O[C@H](C)C1 16489305 FEWGUZMNCJGGLQ-IYBDPMFKSA-N 335.444 2.784 0 50 EFAA COc1ccc(NS(=O)(=O)Cc2ccccc2F)cc1OC 16579838 OFEYMLREAWWLIE-UHFFFAOYSA-N 325.361 2.785 0 50 EFAA O=C(NCC1CC1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 169759693 MOEIYSJHBPQEOA-MRXNPFEDSA-N 331.803 2.948 0 50 EFAA CN1C(=O)CC[C@@H](NCC=Cc2ccc(F)cc2)[C@@H]1c1nccn1C 1857528715 LIEUOPQUKOZUAO-SJLPKXTDSA-N 342.418 2.524 0 50 EFAA Cc1nc2ccc(Cc3nc([C@@H](C)O)nn3CC(F)(F)F)cc2[nH]1 1857671985 BEHCGOVHJLPZHV-MRVPVSSYSA-N 339.321 2.669 0 50 EFAA Cc1nc[nH]c1-c1nccn1C12C[C@H]3C[C@@H](CC(n4cncn4)(C3)C1)C2 1857673755 WQLFFSLECALXBV-QAQJPARQSA-N 349.442 2.878 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@]2(O)CCNC2)s1 1857689977 RAQIBHHCALEIRU-GOSISDBHSA-N 340.452 2.706 0 50 EFAA Cc1cc(N2CCCN(C(=O)c3nc4ccccn4c3C)CC2)ccn1 1857714270 OMCSWKZUKCXWDE-UHFFFAOYSA-N 349.438 2.699 0 50 EFAA CCc1nccc(-c2nccn2-c2ccc(Cl)c(C(=O)NC)c2)n1 1857729039 SBZKLBVKZZLJFB-UHFFFAOYSA-N 341.802 2.905 0 50 EFAA Cc1noc2ncnc(N3C[C@@H](O)C[C@@H]3c3ccc(F)c(F)c3)c12 225696127 AZANPVGNMIOVTP-GXFFZTMASA-N 332.310 2.517 0 50 EFAA C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)c1cccnc1 112854611 NSGHOSAXSRWABL-CRAIPNDOSA-N 337.423 2.954 0 50 EFAA C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Cc2nnn[nH]2)cc1 120754320 WGSUCMANZHFPMU-ZDUSSCGKSA-N 343.431 2.857 0 50 EFAA C[C@@H](c1nnnn1-c1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12 248684652 GUPMRMQAOBFRFR-YWZLYKJASA-N 347.422 2.855 0 50 EFAA C[C@@H](Oc1cccc(F)c1)C(=O)Nc1sccc1S(C)(=O)=O 135519453 XFHMAYPSTUTCJL-SECBINFHSA-N 343.401 2.697 0 50 EFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1nc(-c2ccco2)n[nH]1 252486199 GOGRBWHCDTVOFI-JHJVBQTASA-N 329.404 2.927 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)C1(N2CCOCC2)CCCC1 252517334 GCPOFZZWBRWKMZ-XHSDSOJGSA-N 332.444 2.533 0 50 EFAA O=S1(=O)CC[C@H](NCCC[C@@H]2CCCC[C@H]2O)c2ccccc21 253370513 RWPMSARSHJBIGH-BHYGNILZSA-N 337.485 2.826 0 50 EFAA CN1C(=O)c2ccc(NC(=O)c3coc(Br)c3)cc2C1=O 253419776 DFTVRWKIOVTELW-UHFFFAOYSA-N 349.140 2.520 0 50 EFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1F 264407599 YBUBEPWMPDYETJ-DLBZAZTESA-N 335.375 2.577 0 50 EFAA Cn1ccnc1[C@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 846835764 CSADPXBFNVLLCD-DZGCQCFKSA-N 339.361 2.962 0 50 EFAA COc1cc(CN2CCc3[nH]c4ccc(C(=O)O)cc4c3C2)sn1 901588401 RUZRYOQBJKEOQA-UHFFFAOYSA-N 343.408 2.890 0 50 EFAA OC1CCN(CCCNCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 1656194341 BHXWKUSDZIJIBX-UHFFFAOYSA-N 348.878 2.667 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CCN1 827212917 VRQXTRGBZFOIAG-HNNXBMFYSA-N 334.847 2.647 0 50 EFAA Cc1ccc(NC(=O)N2CCn3nc(C4CC4)cc3C2)c(N(C)C)n1 930504659 KKLUGWSTCDONLZ-UHFFFAOYSA-N 340.431 2.578 0 50 EFAA CCn1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)nn1 934424096 QXZMSPMHNLJORL-UHFFFAOYSA-N 338.333 2.632 0 50 EFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc3nc(C(F)F)[nH]c23)C1 935089598 KWDWICMOVQTZOS-SNVBAGLBSA-N 345.353 2.864 0 50 EFAA CCN(Cc1nc(O)c2sccc2n1)C(=O)N1C[C@H]2CC[C@H]2C1 2325782531 FALAJGXILZHJHR-PHIMTYICSA-N 332.429 2.681 0 50 EFAA CCc1nccn1C[C@H](C)NC(=O)c1cc2ccnc(Cl)c2[nH]1 2325790020 FYOZOOXITROZAA-JTQLQIEISA-N 331.807 2.794 0 50 EFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@]12CCCNC2=O 2356156362 YGUZAZHUWFFSMO-OAQYLSRUSA-N 349.434 2.942 0 50 EFAA CCOc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 2994213 AGLMCEFCDOVHST-UHFFFAOYSA-N 326.396 2.903 0 50 EFAA Cc1noc([C@@H]2CCN(Cc3c(C)nn(-c4ccccn4)c3C)C2)n1 344869215 GNCGFFOLLXNMBW-OAHLLOKOSA-N 338.415 2.565 0 50 EFAA Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 52537562 ZEPRMJASZGLSMV-UHFFFAOYSA-N 327.403 2.895 0 50 EFAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1ccnc1 55341021 UCLHYQZIBJLTJH-UHFFFAOYSA-N 329.400 2.829 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1Cl 101360044 IYDXRYYGRNQATP-QYAIJTBZSA-N 331.755 2.740 0 50 EFAA COCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C1CCN(C)CC1 55342490 AMUKOPBDKQIZEN-UHFFFAOYSA-N 346.450 2.758 0 50 EFAA CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)N(C)C(=O)CO4)o1 65365950 BKGKHPTZQVUNII-LBPRGKRZSA-N 326.352 2.671 0 50 EFAA Cc1ccc(C)c([C@H](NC(=O)c2cc(C)nc(N)n2)c2cccnc2)c1 67868370 MFMDERHREHACTB-GOSISDBHSA-N 347.422 2.898 0 50 EFAA CC(C)n1ccc(CN2CC[C@@H](CNC(=O)c3ccncc3)C2)c1 67725519 TWANTXJGFNMWGL-INIZCTEOSA-N 326.444 2.716 0 50 EFAA Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(C(=O)O)cc1F 358594312 PVGDQSAFWSXJFT-DEOSSOPVSA-N 349.383 2.963 0 50 EFAA COC(=O)N1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 252474701 KMULCROIXMOSAK-OFQRWUPVSA-N 337.464 2.875 0 50 EFAA CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 252497874 FQGNUPPRNHQDTJ-GMTAPVOTSA-N 338.395 2.535 0 50 EFAA Cc1cc(C(=O)Nc2ncc(C(N)=O)s2)c2nccc(C)c2c1 252492208 MFMYCLHTEAXVFW-UHFFFAOYSA-N 326.381 2.659 0 50 EFAA c1ccc(Cn2ccnc2CN2CC[C@@H](Oc3ccncc3)C2)cc1 354044295 HSVDTKIGZUKWNG-LJQANCHMSA-N 334.423 2.980 0 50 EFAA O=C(CCCc1ccccc1)N1CCN(C2CCCC2)[C@H](CCO)C1 72426502 CFNWDDNYUWTZCV-HXUWFJFHSA-N 344.499 2.847 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1 328593237 VNMFDXDOJHPEES-HOTGVXAUSA-N 330.409 2.617 0 50 EFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(Cc2cncs2)CC1 328637344 OOYAFVWFMFVIIF-AWEZNQCLSA-N 335.477 2.711 0 50 EFAA CCN1CCC[C@@H](CN(C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 328654530 XNTSVNSMNKACST-PKOBYXMFSA-N 334.508 2.552 0 50 EFAA c1ccc(-n2cncn2)c(CNC2CCC3(CCNCC3)CC2)c1 67447258 OHRQJQARYBJKSE-UHFFFAOYSA-N 325.460 2.669 0 50 EFAA C[C@H](CC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1cccnc1 329460680 PJFOLGNBSMWTRW-MRXNPFEDSA-N 343.471 2.826 0 50 EFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c(F)cc1F 330560587 YUFZPPIIIKMQGS-RKDXNWHRSA-N 337.244 2.608 0 50 EFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc3c(s1)CCCCC3)C2 72473299 NSTYSLDNMNJTRM-UONOGXRCSA-N 332.469 2.710 0 50 EFAA CC(C)[C@H]1CN(CCC(=O)N(C)C)CCCN1Cc1ccc(F)cc1 71767948 MUIPPAFMFXSSJM-LJQANCHMSA-N 349.494 2.836 0 50 EFAA Cc1cc(C2CCC2)nc(NCc2csc(N3CCOCC3)n2)n1 71748018 LEDHCYIIQPECGA-UHFFFAOYSA-N 345.472 2.958 0 50 EFAA C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc2c(c1)OCCCO2 370798498 PKCAXSZHVDCKNB-LBPRGKRZSA-N 338.363 2.835 0 50 EFAA Cn1ccnc1[C@@H](NC(=O)c1ncncc1Cl)c1cccc(F)c1 175214348 JPTDTHGUVLKSSZ-ZDUSSCGKSA-N 345.765 2.522 0 50 EFAA N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 237974598 LQRNDWMJQVLXPS-LUVWLHFXSA-N 332.419 2.569 0 50 EFAA O=C(O)COc1cccc(CNC(=O)C2(c3ccccc3F)CC2)c1 238015935 QBJAPCDPBLBQNZ-UHFFFAOYSA-N 343.354 2.637 0 50 EFAA CCc1nc(N(C)Cc2n[nH]c3c2CCCCC3)c2cnn(C)c2n1 72169453 SOTKJYQRHDEREX-UHFFFAOYSA-N 339.447 2.554 0 50 EFAA C[C@H](c1ccccc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 239667937 BSCSWSUPKGLOAD-WBVHZDCISA-N 340.423 2.636 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1CCc2nc[nH]c2[C@H]1C(=O)O 72434553 OXUAOUCTPYLEHK-AWEZNQCLSA-N 344.396 2.619 0 50 EFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1oc(C(C)C)nc1C 457252504 FMVWFKIYHDNXDN-UHFFFAOYSA-N 348.447 2.746 0 50 EFAA CCOc1cccc2[nH]cc(CC(=O)NCC[C@@H]3CCCN(C)C3)c12 458221413 PMAJFXYXNMRGIQ-HNNXBMFYSA-N 343.471 2.957 0 50 EFAA Cc1nc(Nc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1 244400195 YJWFHRXFLFPPGJ-UHFFFAOYSA-N 347.426 2.645 0 50 EFAA Cc1cnc([C@@H](C)NC(=O)Nc2cccc3c2OCC(=O)N3)s1 290240234 SOKFTZFDYWKZPF-SECBINFHSA-N 332.385 2.665 0 50 EFAA N[C@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1 82134454 NJKRMGCUMYBMTN-LJQANCHMSA-N 342.414 2.766 0 50 EFAA Cc1nc(N)ncc1C(=O)NCc1cc(-c2cccc(Cl)c2)no1 223768715 GAGJSXDVXYVKKE-UHFFFAOYSA-N 343.774 2.606 0 50 EFAA O=C(NCc1n[nH]c2c1CCC2)N1CCCC[C@H]1c1nccs1 426475306 BGNBVDFUNBCLPP-AWEZNQCLSA-N 331.445 2.792 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CSc1ccccc1C)CC2 426381837 XZGDTYOCHZSMQG-UWWQBHOKSA-N 335.469 2.618 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 20478477 ILLWLWJTNFHQRA-UHFFFAOYSA-N 343.767 2.771 0 50 EFAA COc1cc(OC)cc(-c2ccc(C(=O)NC(C)(C)CO)cc2)c1 426534430 IARKTBMWZSNFDB-UHFFFAOYSA-N 329.396 2.872 0 50 EFAA Cn1c2c(cc(C(=O)N[C@H]3CCc4ccccc4C3)c1=O)CCCC2 426444447 FFWIELOTXLEOEK-KRWDZBQOSA-N 336.435 2.551 0 50 EFAA Cc1nn(C)c2nc(N3CCN(c4ccccc4F)CC3)sc12 95503662 PZOKZRJCXIBIEC-UHFFFAOYSA-N 331.420 2.804 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCc2ccc3c(c2)nc(C)n3C)C1 95357893 RMVCHHNCYXNTFK-LJQANCHMSA-N 328.460 2.620 0 50 EFAA O=C(NCCCc1ccccc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 91934082 JNSGHVICKMNWJW-OAHLLOKOSA-N 332.419 2.666 0 50 EFAA O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@]2(CCCO2)CC1 95504906 PZLQERDXZYTYJI-FQEVSTJZSA-N 342.439 2.528 0 50 EFAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCOC[C@H](O)C1 95502301 LANNYVOPBDKKOU-CQSZACIVSA-N 348.424 2.797 0 50 EFAA c1ccc([C@H]2CN(Cc3cnc(N4CCOCC4)s3)CCO2)cc1 97813682 HBPKCSQWQCDGFM-QGZVFWFLSA-N 345.468 2.553 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2sccc2C)C1 91893806 RPRUVEBOXBUZQJ-MRXNPFEDSA-N 325.430 2.790 0 50 EFAA O=C(Cc1nc2ccccc2[nH]1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244884226 YHWHQFJYXMVOKF-IUUKEHGRSA-N 341.436 2.795 0 50 EFAA CN(CCn1ccc2ccccc21)Cc1cc(=O)n2ccsc2n1 244700856 JVGJBQLMFNXJKG-UHFFFAOYSA-N 338.436 2.843 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)CCSc1nnc(C)[nH]1)[C@@H](C)C2 183172152 SDBWUJMGCZABAE-MEDUHNTESA-N 330.457 2.953 0 50 EFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC(C(=O)O)CC2)cc1 299752997 WKALNFYHYSTJRS-IRXDYDNUSA-N 331.412 2.786 0 50 EFAA CN1CCc2ccc(C(=O)N[C@H](c3ccccn3)C(F)(F)F)nc21 1940194678 DWCMHTPRIULBDI-CYBMUJFWSA-N 336.317 2.502 0 50 EFAA O=C([C@H](O)c1ccccc1F)N1CCC(N2CCCCCC2)CC1 299786252 PUCWRGFXLVEAJJ-GOSISDBHSA-N 334.435 2.726 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NCCCc1ccccc1F 827627302 ZICBBDCPUWKSFQ-KRWDZBQOSA-N 331.387 2.623 0 50 EFAA CC(C)(CN1CCOCC1)NC(=O)c1cc2c(C3CC3)cccc2[nH]1 868875127 OCZDCJIMUHZULU-UHFFFAOYSA-N 341.455 2.886 0 50 EFAA O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccccc1C(F)F 1875279769 CRIJLLRIVDTCHK-LLVKDONJSA-N 343.355 3.000 0 50 EFAA CC(C)NC(=O)Nc1cccc(C(=O)N=c2cc(C(F)F)[nH][nH]2)c1 1875298930 SGYDYFLFSVWAKI-UHFFFAOYSA-N 337.330 2.551 0 50 EFAA Cn1c(CCNC(=O)[C@]2(c3ccccc3)CCCN2)nc2ccccc21 1875287364 HCMZSSHFUBMPQZ-OAQYLSRUSA-N 348.450 2.511 0 50 EFAA COCCN(CCNC(=O)[C@@H](F)c1ccccc1)Cc1ccccc1 1875317483 YVTSGWGQCJDFHQ-IBGZPJMESA-N 344.430 2.962 0 50 EFAA CN1C[C@H](CC(=O)NC23CCC(C(=O)O)(CC2)CC3)c2ccccc21 1875312106 HPHPEJDKGZMAHL-JAGHRAMZSA-N 342.439 2.904 0 50 EFAA C[C@]1(c2ccccc2)CCN(C(=O)[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1875392313 QHCRQMYXYFVQMZ-GVDBMIGSSA-N 338.373 2.719 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)c2ccn(C)c2C)cc1Cl 952980395 KNWVYQZCYNIOLB-UHFFFAOYSA-N 335.791 2.824 0 50 EFAA C[C@H](Cc1ccsc1)Nc1ccc(C(=O)N2CCOCC2)cn1 881836380 WMPGYVZHLQMDEU-CYBMUJFWSA-N 331.441 2.659 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CO 952982693 YIBXPRPUEVNRSW-GFCCVEGCSA-N 347.864 2.583 0 50 EFAA CC[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N(C)CC 952962577 CKHSEZUSFYJDTA-SFHVURJKSA-N 335.467 2.637 0 50 EFAA Cn1cc(C(=O)Nc2ccc(-c3ccon3)cc2)c([C@H]2CCOC2)n1 886956284 XIVZAWLWEZZELO-ZDUSSCGKSA-N 338.367 2.831 0 50 EFAA CO[C@@H](CS(=O)(=O)N(C)c1cccc(C)c1C)[C@@H]1CCCOC1 1775993537 FBHOKGYYHPKGLJ-WBVHZDCISA-N 341.473 2.511 0 50 EFAA O=S(=O)(Cc1ccc(Cl)cc1)NCCn1ccc(C2CC2)n1 1775991074 OLIIEDCQFJNUDU-UHFFFAOYSA-N 339.848 2.534 0 50 EFAA COC1CCC(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2F)CC1 891471226 IDLDECMRXXQIOG-UHFFFAOYSA-N 333.367 2.540 0 50 EFAA NC(=O)c1c(F)cccc1N1CCCN(C(=O)CC2CCCC2)CC1 891714136 SXKRTARZEXIIED-UHFFFAOYSA-N 347.434 2.544 0 50 EFAA O=c1sc2ccccc2c(=O)n1Cc1ccn(C2CCCC2)n1 274728748 HUFWEMOSLGXVJU-UHFFFAOYSA-N 327.409 2.783 0 50 EFAA C[C@@H](c1cnccn1)c1noc([C@H](C)n2ccc(C(F)(F)F)n2)n1 632177651 BBAZJVJMAHKTNF-IUCAKERBSA-N 338.293 2.836 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)C1 408519531 GUFPGIVIVOOGLC-KGLIPLIRSA-N 340.464 2.659 0 50 EFAA COc1ccc(C[C@H](C)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1OC 170592723 PVQXFOHMCXWNJY-ZFWWWQNUSA-N 346.427 2.699 0 50 EFAA CCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1=O 170606424 MQCBIFQPKDPPGF-LSDHHAIUSA-N 334.847 2.914 0 50 EFAA O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccc(F)cc1 170676770 RHUUMJTWWFJAGX-UHFFFAOYSA-N 342.370 2.987 0 50 EFAA O=C(Cc1cncs1)OC1CCN(c2ccc(Cl)cn2)CC1 170609475 GIPCGDFENKTNNC-UHFFFAOYSA-N 337.832 2.946 0 50 EFAA CCCc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(OC)c2)co1 225740322 LOOGHISRTMEJMY-CJNGLKHVSA-N 330.384 2.584 0 50 EFAA CN(C)Cc1cccc(CNC(=O)c2ocnc2C(F)(F)F)c1 635199689 RNQUWMNHUBKBFI-UHFFFAOYSA-N 327.306 2.685 0 50 EFAA OC[C@]1(NCc2cccc3c2OCCCO3)CCOc2ccccc21 282426673 RCGRFKUDXDEGCD-HXUWFJFHSA-N 341.407 2.608 0 50 EFAA O=C(c1cccnc1C(F)(F)F)N1CCC(Cn2cccn2)CC1 188391186 IFSOOVMPQJYWJC-UHFFFAOYSA-N 338.333 2.849 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3cc(F)ccc3o2)C1 190071890 YIZAMGHASYNOQT-CHWSQXEVSA-N 345.330 2.866 0 50 EFAA Cc1ccc(NC(=O)N2CCS[C@@H](C)CC2)cc1S(C)(=O)=O 192287200 WZWRCMGOQZDROW-LBPRGKRZSA-N 342.486 2.758 0 50 EFAA O=C(NC1CCS(=O)(=O)CC1)c1ccccc1Oc1ccccc1 193387463 QWZXJCOZSYLQHA-UHFFFAOYSA-N 345.420 2.786 0 50 EFAA Cc1cccc(C)c1CCNC(=O)[C@H]1COCCN1C1CCCC1 193579484 RUJAKXNIGZLXEQ-LJQANCHMSA-N 330.472 2.606 0 50 EFAA CCCN1CC[C@@H](CNC(=O)N2CCCN(c3ccccc3)CC2)C1 193781818 DJUYPWSLDMAJPN-SFHVURJKSA-N 344.503 2.640 0 50 EFAA O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c2c1CCCC2 675973278 VJGOUXXBHKPWQJ-UHFFFAOYSA-N 347.802 2.669 0 50 EFAA NC(=O)c1cc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)ccc1F 680452542 DDLXFZSGKGNJCT-MRXNPFEDSA-N 349.406 2.738 0 50 EFAA CC(C)(C)n1ncc2c(O)nc(N3CC[C@@H](c4ccccn4)C3)nc21 798416297 NHFZSLSEQMOHPY-GFCCVEGCSA-N 338.415 2.676 0 50 EFAA O=C1CC[C@H](N2CCCN(C3CCCC3)CC2)CCN1CC1CC1 1506395883 CAAKRWJYJWVMLM-IBGZPJMESA-N 333.520 2.728 0 50 EFAA CN(C)C(=O)c1cccc(N2CCC([C@@H](O)c3cccs3)CC2)n1 1506395512 JBYNQLWZAPCBBR-QGZVFWFLSA-N 345.468 2.795 0 50 EFAA CN(CC(=O)N(C)CCOc1cccc(Cl)c1)Cc1ccncc1 1506398395 CCSPPEKYSXOJHV-UHFFFAOYSA-N 347.846 2.704 0 50 EFAA Cc1nn2c(NC(=O)C[C@H]3CCc4ccccc43)csc2nc1=O 1506407451 OIPKDVKXWUAGLE-GFCCVEGCSA-N 340.408 2.518 0 50 EFAA O[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1Cc1cnccn1 1529158934 KIHVAURYEAZTFZ-CZUORRHYSA-N 337.345 2.531 0 50 EFAA NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 460416 QGHLVYKZHXHMCA-VQHVLOKHSA-N 347.374 2.809 0 50 EFAA CC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 5498724 QGYAKSXPQCXZJN-UHFFFAOYSA-N 343.408 2.537 0 50 EFAA O=S1(=O)C[C@H]2[C@H](C1)Sc1nc(-c3ccc(Cl)cc3)cn12 5009548 FDLFVVXHBPTOQI-RYUDHWBXSA-N 326.830 2.647 0 50 EFAA CN(C)CC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1 14948931 HHQQWDWWIHIZHI-INIZCTEOSA-N 331.485 2.963 0 50 EFAA CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](CN3CCOCC3)O2)cc1 19799100 PMSZKNSSEIHHKV-RBUKOAKNSA-N 333.472 2.990 0 50 EFAA COc1cnc(C)cc1C(=O)NCCc1cnn(-c2ccccc2)c1 1857673593 WGBYAZYCFLJSCK-UHFFFAOYSA-N 336.395 2.557 0 50 EFAA c1ccc(CN=c2ncc(-c3nccn3C3CCOCC3)c[nH]2)cc1 1857700936 CVCBIMNKGDRUMV-UHFFFAOYSA-N 335.411 2.726 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)CC[C@H]1N 1857716420 LUOZEMFGSFEYGK-CUOATXAZSA-N 348.340 2.603 0 50 EFAA Cc1cc(N2CCN3[C@@H](C)COC[C@H]3C2)nc2cc3c(cc12)CCC3 1875244654 YABYNNHCEWYYJX-MAUKXSAKSA-N 337.467 2.941 0 50 EFAA C[C@@H](O)CNC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 225498246 UJOLBHVTERYSSS-OCCSQVGLSA-N 345.468 2.596 0 50 EFAA CN1CC[C@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 121372364 VKRHWYHFCNXOQK-HOTGVXAUSA-N 336.863 2.897 0 50 EFAA Cc1c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1CC(C)C 331459662 AMLFRMABKNIKAA-WMZOPIPTSA-N 345.418 2.935 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)cnn1-c1cccc(Cl)c1 237749315 URNXCRDZCQNSNF-CQSZACIVSA-N 333.775 2.523 0 50 EFAA Cc1ccncc1CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 456182585 YJKMCQSYEOARBS-INIZCTEOSA-N 343.814 2.713 0 50 EFAA CCOC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc3c2=O)C1 342829698 FPARAAOSVZPTMV-NSHDSACASA-N 334.803 2.680 0 50 EFAA NC(=O)[C@@H](c1ccccc1)N1CCC(c2ccccc2C(=O)O)CC1 364038927 OOGICCOEMLMDQS-GOSISDBHSA-N 338.407 2.791 0 50 EFAA COCc1ccc(C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)o1 372758213 QCEHTXNBCXCKAA-IBGZPJMESA-N 329.396 2.636 0 50 EFAA C[C@H]1CN(Cc2cccc3c[nH]nc23)C[C@@H]1NC(=O)OC(C)(C)C 497056053 RBBOSLWWLFSSEA-WFASDCNBSA-N 330.432 2.908 0 50 EFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)CCC(=O)N2 392928813 JHCMMGZDKFTRBO-INIZCTEOSA-N 340.427 2.613 0 50 EFAA C[C@@H]1CN(C(=O)c2ccnc(-c3ccccn3)n2)CC2(CCCC2)O1 823722137 YMUPGUJWRQHRLR-CQSZACIVSA-N 338.411 2.712 0 50 EFAA Cn1nccc1[C@@H](O)CNC(=O)Nc1ncc(C2CCCCC2)s1 930772025 GXXGBAZDDVYUQF-ZDUSSCGKSA-N 349.460 2.779 0 50 EFAA O=C(NCc1ncnn1-c1ccccc1)[C@@]1(c2ccccc2)CCCO1 935692827 GPKRIMUJNQPWSB-FQEVSTJZSA-N 348.406 2.589 0 50 EFAA CC(C)n1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nn1 2100480267 BQSVUFFILZYNRB-NSHDSACASA-N 347.806 2.504 0 50 EFAA CC(C)N(C(=O)c1ccccc1-c1nc(-n2ccnc2)n[nH]1)C(C)C 2100545496 SHMGPFKRVOKXAQ-UHFFFAOYSA-N 338.415 2.916 0 50 EFAA COc1ccc(OC(=O)c2cc(C(N)=O)ccn2)c(C(C)(C)C)c1 2325767234 IDQYREPPKGDWJI-UHFFFAOYSA-N 328.368 2.706 0 50 EFAA COc1cc2nc(N3CCc4nccc(N)c4C3)sc2cc1OC 2325792850 PZTMXLRXAFIERA-UHFFFAOYSA-N 342.424 2.853 0 50 EFAA Cc1ccc(NC(=O)c2ccc(CN(C)C)o2)c(-c2nc[nH]n2)c1 2325860258 ATNMAIUYWSNJOQ-UHFFFAOYSA-N 325.372 2.687 0 50 EFAA Cc1cc([C@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)c(C)o1 130180475 WKKALYJRULXOIK-ZDUSSCGKSA-N 329.400 2.619 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 214892 SAVXZHIDUAACIM-HNNXBMFYSA-N 348.443 2.504 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cccc4[nH]c(=N)sc34)C[C@H]21 2356136629 CFOFTAKJBYMSDR-SRBZOADZSA-N 345.468 2.722 0 50 EFAA Cc1nc2c([nH]1)CN(C(=O)c1ccc(-c3nncc(C)c3C)cc1)CC2 2356149782 VGXCIIYNGFUBHT-UHFFFAOYSA-N 347.422 2.990 0 50 EFAA O=C(NC[C@H](O)c1cccc(O)n1)c1cccc(-c2ccccc2)c1 2356159172 OZQUTWVXPLAMGY-SFHVURJKSA-N 334.375 2.918 0 50 EFAA Cc1nc(-c2cc(NC(=O)[C@@H]3CCOC3)cc(C(F)(F)F)c2)n[nH]1 416257386 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341.802 2.848 0 50 EFAA COC[C@@H](Cc1ccccc1)N[C@@H](c1nc(C)no1)C1CCOCC1 328637962 WECPWFZXONWJDS-QZTJIDSGSA-N 345.443 2.693 0 50 EFAA O=C(Nc1ccc(F)cn1)N1CCO[C@@]2(CCc3ccccc32)C1 122843946 OSCQNDAPXQIHCN-SFHVURJKSA-N 327.359 2.927 0 50 EFAA COc1ccc(-c2n[nH]cc2CNc2ncnc3c2c(C)nn3C)cc1 72480146 KOUOCYNMEKYRSY-UHFFFAOYSA-N 349.398 2.683 0 50 EFAA O=C(NC[C@@H]1CCCS1)N1CCC(OC[C@H]2CCCCO2)CC1 125155834 WRTYYHTXMXEJSN-CVEARBPZSA-N 342.505 2.642 0 50 EFAA COc1c(C)cc(C(=O)[C@H]2CCCN(c3ccnc(N)n3)C2)cc1C 71523978 PCCWLJXMSAUPDL-AWEZNQCLSA-N 340.427 2.784 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 331061155 UFDGEAJIOZVUFE-CJNGLKHVSA-N 346.402 2.539 0 50 EFAA CCCOC[C@@H]1CCN(C(=O)CCc2nc(-c3ccccc3)no2)C1 77489755 FBFCUYUCQGCLPU-OAHLLOKOSA-N 343.427 2.944 0 50 EFAA Cc1ccccc1N1CCN(C(=O)CCn2cc(Cl)cn2)[C@@H](C)C1 77321269 CPBWPNMCEZBHKK-HNNXBMFYSA-N 346.862 2.972 0 50 EFAA Cc1c[nH]c(CN2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)c(C)c1=O 72418052 AXKUXNCRGGBBCU-INIZCTEOSA-N 340.423 2.755 0 50 EFAA CCOC1CC2(CCN(C(=O)[C@H]3CCCN3c3nccs3)C2)C1 376475384 SYMQOTGIAMGPFD-XOYHFGRZSA-N 335.473 2.530 0 50 EFAA CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cnc(S)n1-c1ccccc1 129720627 SWCMIDSVQXYOOZ-LBPRGKRZSA-N 347.440 2.573 0 50 EFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc(C(=O)O)n1 262720814 DYCCGMIDBYQADI-CYBMUJFWSA-N 340.379 2.638 0 50 EFAA C[C@H](NC(=O)c1cccn1C1CCNCC1)c1nc2ccccc2[nH]1 378203315 PMWCGCMPFOIODV-ZDUSSCGKSA-N 337.427 2.780 0 50 EFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCO[C@@H]2CCCC[C@H]21 239760908 CIIDLQPOBJXTFD-QXOCSCLMSA-N 327.424 2.897 0 50 EFAA CCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)C[C@@H]1CCCCO1 240534539 GOJRAIIXJCADGX-INIZCTEOSA-N 336.457 2.889 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@@]12CCc1ccccc12 175251569 IRZIQFPEOWFVNV-GHTZIAJQSA-N 344.418 2.788 0 50 EFAA Cc1cc(C(=O)Nc2cnn(C)c2C)c2c(C)nn(C(C)C)c2n1 17066783 WMFCMRSPFFWTAD-UHFFFAOYSA-N 326.404 2.923 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1CCN(C2CCCC2)C(=O)C1 220074257 ITCMFWYHKLVUFZ-UHFFFAOYSA-N 332.419 2.762 0 50 EFAA COc1cc(C)c([C@H](C)NC(=O)N[C@H]2CC[C@H](O)CC2)cc1OC 245502578 CAHGFRJSOMSDAN-IHRRRGAJSA-N 336.432 2.676 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCC(OCc2cccnc2)CC1 223589085 VPWZXEURPPZDTI-UHFFFAOYSA-N 336.395 2.551 0 50 EFAA C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 177540646 FSWQJJCVFRESSK-ZIAGYGMSSA-N 336.457 2.991 0 50 EFAA O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@]2(CNc2ccccc2)O1 139139899 DVLWUFGRPQZUNT-IIMDRIAPSA-N 346.386 2.612 0 50 EFAA Cn1c(CCN)nnc1SCc1cccc(F)c1C(F)(F)F 426730528 VHXPMROKWQOYFE-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA CCCN1C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426599830 YDWCFNFESPRCLB-SFHVURJKSA-N 343.471 2.511 0 50 EFAA COc1cc(C)cc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C 225447534 LLMRHESCYDWDKR-UHFFFAOYSA-N 345.371 2.574 0 50 EFAA COc1ccc(C(=O)N2CCCC[C@@H]2CCNC(C)=O)cc1Cl 82108465 LGEXLJSEAYLBML-CQSZACIVSA-N 338.835 2.870 0 50 EFAA Cc1cn2c(=O)c(C(=O)Nc3nc(C4CC4)cs3)cnc2s1 179729721 WDBQJMVIGCNIDB-UHFFFAOYSA-N 332.410 2.651 0 50 EFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1scnc1C)C2 95525364 IRQGPOMAISGZOK-ZDUSSCGKSA-N 346.452 2.760 0 50 EFAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239174516 QDYGNXXHNLFGGH-TVFCKZIOSA-N 349.386 2.546 0 50 EFAA Cc1cccc(OCCNC(=O)C2(c3ccccc3)CCNCC2)c1 237767528 VRPYGPXPQZPMBG-UHFFFAOYSA-N 338.451 2.811 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(NC(C)C)nc2)C1 267769261 FGRWSTDZOJQZGH-OAHLLOKOSA-N 342.447 2.533 0 50 EFAA CCOCCN1CCN(C(=O)c2ccc3cccc(Cl)c3n2)CC1 97569040 PKUJGWJOGBZZTE-UHFFFAOYSA-N 347.846 2.683 0 50 EFAA CCCc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)n(C)n1 295353213 QYFMTAOCQLFRAB-UHFFFAOYSA-N 347.440 2.692 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Cc1ccc(C)cc1 181315549 GPPAKUBIBDQMTJ-ZBFHGGJFSA-N 326.444 2.979 0 50 EFAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCCCCN1C 95384550 WCZLXIWOQFHDDP-QGZVFWFLSA-N 346.450 2.967 0 50 EFAA Cc1ccc(-c2cc(C(=O)NCc3noc(-c4ccccc4)n3)[nH]n2)o1 91769653 PHILNSDQNJBYTN-UHFFFAOYSA-N 349.350 2.958 0 50 EFAA O=C(c1ccccc1-c1nc[nH]n1)N(Cc1cccc(O)c1)C1CC1 97425649 XPUHBAJKMZPISH-UHFFFAOYSA-N 334.379 2.982 0 50 EFAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1[nH]nc2c1CCCCC2 230154206 QMNFNYXKEAWXNL-PBHICJAKSA-N 330.476 2.673 0 50 EFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C(=O)O)C1 237491683 CTOHVKYCMBDABJ-NXEZZACHSA-N 329.755 2.570 0 50 EFAA COc1cccc(OC2CN(C[C@@H]3COc4ccccc4O3)C2)c1 244787556 PZIAYWSFMSHPMG-QGZVFWFLSA-N 327.380 2.598 0 50 EFAA Cc1[nH]c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2c1C 244574850 CSGSPQNPEYWUMF-OALUTQOASA-N 341.455 2.768 0 50 EFAA COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccncc2F)C1 184231805 UMAMLLQYMXNPGA-ZDUSSCGKSA-N 344.390 2.877 0 50 EFAA CSCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1cccc1 263586020 PABDGGHZVVETBN-JZXOWHBKSA-N 336.501 2.936 0 50 EFAA biogenic Cc1ccc(OC[C@H](C)NC(=O)N2CC(n3nc(C)cc3C)C2)cc1 534633666 NYVJQZVSPCOVHU-HNNXBMFYSA-N 342.443 2.842 0 50 EFAA Cc1cccc(N2CCC(NC(=O)CCCn3cccn3)CC2)c1 299788995 XWIDYQPKAGVAKL-UHFFFAOYSA-N 326.444 2.757 0 50 EFAA CC(C)c1cc(CNC(=O)N(C)CCc2noc(C(C)C)n2)no1 827883315 JGYSQXQZWGWTIU-UHFFFAOYSA-N 335.408 2.689 0 50 EFAA COCCN1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 584885008 BTPWIRQLGOHGBJ-INIZCTEOSA-N 328.412 2.531 0 50 EFAA Cn1cnnc1[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 952993143 FEHGKQDCTWCEKU-LBPRGKRZSA-N 332.835 2.762 0 50 EFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3[C@@H](CCC3(F)F)C2)c1 1875278483 DJYOKEIAZZYDMF-GXFFZTMASA-N 336.338 2.634 0 50 EFAA O=C(CC1CCC(C(=O)O)CC1)NCc1c[nH]nc1-c1ccccc1 1875286029 BFJVLZXKORUFBU-UHFFFAOYSA-N 341.411 2.974 0 50 EFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1cc(-c2ccccc2)ncn1 1875398627 ZISULOMYSZZTFJ-ZTFGCOKTSA-N 335.411 2.592 0 50 EFAA Cc1nc(CC2CC2)oc1C(=O)NC12CCC(C(=O)O)(CC1)CC2 1875304126 AQQAEGQBLGIPSV-UHFFFAOYSA-N 332.400 2.843 0 50 EFAA CCn1c(C)cc2cc(NC(=O)[C@@H]3CCN(CCOC)C3)ccc21 952989803 UGCBZBVNWOZBHV-OAHLLOKOSA-N 329.444 2.876 0 50 EFAA O=C(N[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)C1CC1 1775988456 BZOXAKYIXZAPHO-VXGBXAGGSA-N 336.317 2.728 0 50 EFAA CC(C)(C)Cn1c(O)nc2cccc(C(=O)N3CCC4(COC4)C3)c21 898981620 QDKDIBPSZYQLNM-UHFFFAOYSA-N 343.427 2.651 0 50 EFAA COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)NCc4ccco4)(C3)C1)C2 1188199490 HPICMYUIIUZWLQ-LGBHXNNWSA-N 332.400 2.591 0 50 EFAA O=C(Cc1ccco1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 270957850 NVVKYUMALWYOPC-SNVBAGLBSA-N 336.750 2.536 0 50 EFAA Cc1cc(N2CCC[C@H](Nc3ncnc4cccc(F)c34)C2)n(C)n1 278128375 ZBMFGFKNHKQSTE-ZDUSSCGKSA-N 340.406 2.892 0 50 EFAA CC1(C)C[C@@H](NC(=O)C=C(Br)Br)CCO1 408523849 VLWHZQNNYYKIKN-ZETCQYMHSA-N 341.043 2.691 0 50 EFAA CCCNc1ccccc1NC(=O)[C@@H](C)n1c(C)cc(O)cc1=O 170611297 OVVUFFLCPJDEBS-CYBMUJFWSA-N 329.400 2.884 0 50 EFAA C[C@@H]1CCC[C@H]2CCCN(C(=O)COc3ccc(CC(N)=O)cc3)[C@H]21 222151412 OQAXDWJTCXDDAI-IIMJZQEZSA-N 344.455 2.520 0 50 EFAA O=C1C[C@]2(CCN(C(=O)c3cc(Cl)c[nH]3)C2)Oc2ccccc21 412653634 HYXUFASFUQQSOK-KRWDZBQOSA-N 330.771 2.918 0 50 EFAA O=C1CC[C@@H](NC(=O)c2ccc3c(Br)cccc3c2)CN1 225605348 HWGFRGPBOMAWQB-GFCCVEGCSA-N 347.212 2.611 0 50 EFAA CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CCNC(=O)C1 189602200 NIWHPJKUWYERRE-LBPRGKRZSA-N 342.361 2.669 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 192182300 GFMQZJKXPNZIBO-HNNXBMFYSA-N 344.440 2.549 0 50 EFAA O=C(NCCO)c1ccc(NCc2noc3c2CCCC3)cc1Cl 194343791 IEMJRKNRYQHIRN-UHFFFAOYSA-N 349.818 2.541 0 50 EFAA Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1 1506405548 JSECYQZHCFYLKO-MRXNPFEDSA-N 340.423 2.927 0 50 EFAA O=C1CC[C@H](NCc2nc(C3CCCCC3)no2)CCN1CC1CC1 1506421892 NYJQSOBWVQTFRU-INIZCTEOSA-N 346.475 2.998 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccsc1)C2 213460666 PEBXXIGUINHREP-CVEARBPZSA-N 332.469 2.706 0 50 EFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772707830 ZSDCXQLZXJPMBU-CRAIPNDOSA-N 337.847 2.520 0 50 EFAA Cc1cc(C)cc(N2CCC(N3C[C@@H]4CCCN4C(=O)[C@H]3C)CC2)c1 1772706851 PRBAPUXZEZJTEM-MJGOQNOKSA-N 341.499 2.967 0 50 EFAA CC(=O)c1cnc(N[C@@H]2CCCN(C(=O)c3cccs3)C2)nc1C 1772702772 UKRAOLXHOCAAHB-CYBMUJFWSA-N 344.440 2.766 0 50 EFAA 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COc1ccc2cc(C(=O)N3CC[C@@H](C)[S@](=O)CC3)c(C)nc2c1 252487928 IEYULPMFFVPJBL-OIRASMEMSA-N 346.452 2.535 0 50 EFAA OC[C@@]1(c2ccccc2)CCCN(Cc2nnc3n2CCCCC3)C1 374558431 CANYHDQPPOZGHG-HXUWFJFHSA-N 340.471 2.531 0 50 EFAA C[C@@H](Cc1ccc(N[C@@H](C)C2CCS(=O)(=O)CC2)cc1)C(=O)O 901730518 BRFXBHLELKNATG-STQMWFEESA-N 339.457 2.575 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3sc(C)nc3C)C1)CC2 1704297592 APQGDWXJABDRIY-GOSISDBHSA-N 342.468 2.979 0 50 EFAA CN(C)Cc1csc(CNC(=O)Nc2cc3c(cn2)CCCC3)n1 931511434 MHUISQOWAWVWPS-UHFFFAOYSA-N 345.472 2.800 0 50 EFAA COc1cc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)ncn1 931901138 IQCCOFBTWRGRRQ-CYBMUJFWSA-N 325.290 2.861 0 50 EFAA Cc1cnccc1CCNC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1 860408197 GQYCESFRRSOVTJ-UHFFFAOYSA-N 347.459 2.838 0 50 EFAA O=C(Nc1ccnc2ncnn12)c1conc1-c1ccc(Cl)cc1 2325730975 KAOLKSOFQNLPEY-UHFFFAOYSA-N 340.730 2.685 0 50 EFAA O=C(NCCc1ccc(C(F)(F)F)cn1)c1ccn(CC(F)F)n1 2325738688 HGJDZONACZLEAH-UHFFFAOYSA-N 348.275 2.535 0 50 EFAA CC[C@H](C)N1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 2325766710 WUSPOMXPFUKLQI-WFASDCNBSA-N 337.489 2.987 0 50 EFAA CC(C)(C)c1ccnc(CN2CCC([C@]3(O)C[C@@H](C(=O)O)C3)CC2)c1 2325792057 YWIWKMNCUFBRRM-LDTOLXSISA-N 346.471 2.817 0 50 EFAA COC(=O)[C@@H](OC(=O)c1sc(N(C)C)nc1C)c1cccc(C)c1 2325824829 RXJXFUCDANRITP-ZDUSSCGKSA-N 348.424 2.897 0 50 EFAA CCOc1ccc(-n2nc(CCCO)nc2C[C@@H]2CC[C@@H]2OC)cc1 2325848142 AIRKREIRHKQQJH-YOEHRIQHSA-N 345.443 2.558 0 50 EFAA O=C(c1cnc(-c2ccccc2)cn1)N1CCNCc2ccccc21 2325859446 ZVJCEDQRPPNXHS-UHFFFAOYSA-N 330.391 2.894 0 50 EFAA COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 84011 ZSSJNHTXEQPIQP-CQSZACIVSA-N 342.370 2.504 0 50 EFAA O=C(O)c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 238527 VUNMBQFBBVQTGM-UHFFFAOYSA-N 334.378 2.795 0 50 EFAA CCOC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 471969 DSXRZSKHQWAGNL-UHFFFAOYSA-N 333.409 2.734 0 50 EFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc3oc(C)cc3c2)CC[C@H]1O 2356136315 PEUZGGDEFPNCJE-VQIMIIECSA-N 345.395 2.819 0 50 EFAA 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EFAA Cc1noc2nc(C3CC3)cc(C(=O)NCc3n[nH]c4c3CCC4)c12 71762486 NJGCGSNFRJTBEM-UHFFFAOYSA-N 337.383 2.550 0 50 EFAA Cc1cccc(Cl)c1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 218941781 RECQODLFHSESID-TZDAIYRESA-N 333.819 2.624 0 50 EFAA Cc1nnnn1CCCN1CCC[C@H](CCc2c(F)cccc2F)C1 72167669 KKLDWGPKAQOQEJ-OAHLLOKOSA-N 349.429 2.995 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1ccccc1OCC(=O)O 216509634 OIUBXEGGDFPMEP-ZDUSSCGKSA-N 331.416 2.693 0 50 EFAA CC1CCN(C2CCC(NC(=O)N3CCC[C@H](O)[C@H]3C)CC2)CC1 334000208 RASVZIYZRYVCPX-CPFNUKBASA-N 337.508 2.584 0 50 EFAA CCn1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)O)cn1 263039884 NHBNCZUKIAOFBL-WMLDXEAASA-N 341.411 2.596 0 50 EFAA N[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 237923655 YZDZUESKHFZBQY-CQSZACIVSA-N 328.799 2.744 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccn(-c2ccccc2)n1 237986442 GLTPIJNXLOKIFF-JQFCIGGWSA-N 339.395 2.730 0 50 EFAA C[C@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCOCC1 77285949 PXSHZLDGQRCJGM-OAHLLOKOSA-N 342.443 2.674 0 50 EFAA 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291841140 JDYKVQCFROSVTJ-VXGBXAGGSA-N 334.445 2.870 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1oc(C)nc1C)CC2 426392684 DEVZGALVXHWLRN-TXPKVOOTSA-N 348.443 2.870 0 50 EFAA C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 97572322 RJIWPZXUXSLAOD-LLVKDONJSA-N 332.363 2.895 0 50 EFAA O=C(O)c1ccc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)s1 97244088 RDRAZWDJZWAOGL-CQSZACIVSA-N 344.436 2.666 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3COc4ccccc4O3)[nH]n2)o1 91536434 XCPKTZIUUBVCCH-LBPRGKRZSA-N 339.351 2.548 0 50 EFAA COc1ccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cn1 97099271 ZBAAZGNOQXRCEH-UHFFFAOYSA-N 348.406 2.534 0 50 EFAA CC(C)Cn1cc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cn1 181151940 BNTPBRORNZMPTA-CYBMUJFWSA-N 326.400 2.774 0 50 EFAA Cc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(-c2ccccc2O)n1 91548483 POBFPYPEIZXUOB-BLVKFPJESA-N 325.412 2.755 0 50 EFAA CN(C)c1ccc(CCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)cc1 95372845 WLNXPYOBYOKCGS-LJQANCHMSA-N 343.446 2.853 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 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KONWGAHGNIEDGT-HNNXBMFYSA-N 327.428 2.791 0 50 EFAA c1ccc(-n2nnc3ccccc32)c(CNC2C[C@@H]3COC[C@H]3C2)c1 1875299028 WDWFDNRPIRSJHC-HZPDHXFCSA-N 334.423 2.935 0 50 EFAA OC1CC(Cn2cnc3c(NCc4ccc(Cl)cc4)ncnc32)C1 1875342200 CSVGXDKZESRFFV-UHFFFAOYSA-N 343.818 2.863 0 50 EFAA O=C(NC1CC1)c1cc(-c2cnc(CO)s2)nc2ccccc12 1875324134 IRCXLXKXLPIHMG-UHFFFAOYSA-N 325.393 2.743 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)Cc2cccc(F)c2)cc1C 952967963 IQQCUBSBHOZNCO-UHFFFAOYSA-N 330.359 2.900 0 50 EFAA Cc1ccnc(N2CCC[C@H]2c2ccc(N)nn2)c1Br 886085234 BGZOABCQQAOEHD-NSHDSACASA-N 334.221 2.866 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNCc2ccnn2C2CCCC2)cn1 886078490 WQSZVXYXIUDCQD-KBXCAEBGSA-N 329.448 2.599 0 50 EFAA COC1(C(F)(F)F)CN(C(=O)N[C@H](c2cccnc2)C2CC2)C1 893885837 POXHPABBKVLMCN-LBPRGKRZSA-N 329.322 2.505 0 50 EFAA CN(Cc1ccns1)C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 894069743 LNGCWFKPPUOXKT-INIZCTEOSA-N 339.461 2.749 0 50 EFAA Cc1cnc(CN2CC[C@H](CCNC(=O)c3cncs3)C2)s1 1437918208 WVFYONPJPLLDCR-LBPRGKRZSA-N 336.486 2.550 0 50 EFAA O=c1[nH]c2ccc(Br)cc2cc1I 204760199 OUKSOELIBODFSY-UHFFFAOYSA-N 349.953 2.895 0 50 EFAA C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@@H]1c1nccn1C 275715237 YPJZEVVPTOBYMI-YEWWUXTCSA-N 343.427 2.590 0 50 EFAA O=C(Cn1ccn2cc(Br)cc2c1=O)Nc1ccccc1 170087501 PKYZTOHFNZMBHE-UHFFFAOYSA-N 346.184 2.502 0 50 EFAA Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[C@@H](O)C1 170089522 CPRAFGKESOBLBM-SMDDNHRTSA-N 341.249 2.718 0 50 EFAA CC(=O)N(CCC(=O)Nc1ccc2c[nH]nc2c1)Cc1ccccc1 171123995 OIPNVZHVCJNCJY-UHFFFAOYSA-N 336.395 2.940 0 50 EFAA CCN(CCOCCO)C(=O)Nc1ccc(C)cc1Br 282299800 GEPLUWPKTHJDGJ-UHFFFAOYSA-N 345.237 2.620 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)o1 194704518 CRXHYHFZSSORMC-PKPLKKEISA-N 336.391 2.859 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21 659195001 NSEDIAXMTPDOID-DDWPSWQVSA-N 347.459 2.632 0 50 EFAA C[C@H](C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)C(F)(F)F 743329690 HRYIVLIVIQXRLM-LDYMZIIASA-N 329.240 2.751 0 50 EFAA O=S1(=O)CC[C@@H](Nc2ccnc3c(C(F)(F)F)cccc23)C1 1506421543 IIYYRBNDRUNJKA-SECBINFHSA-N 330.331 2.853 0 50 EFAA CN1CCCC[C@@H]1CC(=O)N(CCO)CC12CC3CC(CC(C3)C1)C2 1506419420 PGRLSVPUMPDTJT-VJJCQHNBSA-N 348.531 2.898 0 50 EFAA O=C(CCc1ccc(F)cc1)N[C@H]1COC[C@H]1Cc1ccncc1 1529120571 DDQNFCIHVJRRFD-AEFFLSMTSA-N 328.387 2.527 0 50 EFAA O=C(c1cn2ccsc2n1)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 209930475 JEFPWELKIHHSPQ-HIFRSBDPSA-N 345.399 2.526 0 50 EFAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)c3ccccc3C#N)CC[C@@H]21 215034651 QSVXSWBIFYNWIG-AEFFLSMTSA-N 339.439 2.667 0 50 EFAA CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1Cl 1772702110 QOSYWAQLTLTEQT-YPMHNXCESA-N 336.819 2.574 0 50 EFAA CCNc1ncnc2sc(C(=O)NCc3nccs3)c(C)c12 11996237 SCZKYDRATBGZPL-UHFFFAOYSA-N 333.442 2.818 0 50 EFAA COc1ccc(CNCC[C@H]2CCC(=O)N2Cc2ccco2)cc1 12097133 BYUYBQCIMKMATF-MRXNPFEDSA-N 328.412 2.959 0 50 EFAA CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H]1COCCO1 12445387 STGQDRDXMIJIFW-HNNXBMFYSA-N 327.384 2.670 0 50 EFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)C1=CCCC1 12713019 CSXZHJPSKYGIHR-UHFFFAOYSA-N 333.520 2.751 0 50 EFAA O=C(N1C[C@@H]2CCOC[C@]2(CO)C1)C1(c2ccc(Cl)cc2)CCC1 1857669325 FAQICERUEGTLMN-MAUKXSAKSA-N 349.858 2.619 0 50 EFAA Cn1nnc2cc(NC[C@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21 843422982 KEHMQUCZTCODNE-XIKOKIGWSA-N 343.431 2.637 0 50 EFAA O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCNC1 225470406 QXXJKZBAXZJDQX-LBPRGKRZSA-N 337.261 2.597 0 50 EFAA Cn1cc(Cl)cc1C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 332731188 UHIFGSHGOQHHJF-MRXNPFEDSA-N 326.824 2.872 0 50 EFAA C[C@@H]1OCC[C@@H]1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 134396094 LMWBKRNWKYNPEA-YUMQZZPRSA-N 334.260 2.690 0 50 EFAA CCN1CCN(Cc2cc(Br)c(OC)cc2OC)CC1 19537291 RIGCDXXJSNFVOC-UHFFFAOYSA-N 343.265 2.604 0 50 EFAA CC(C)(C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1 367222666 BMFFROIPJPBQSR-CQSZACIVSA-N 334.847 2.935 0 50 EFAA C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)C2(C(=O)O)CCC2)CC1 902686419 GEXUFKDDDRENRE-CQSZACIVSA-N 342.439 2.684 0 50 EFAA COc1nn(C)cc1C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 904298170 SPPXNKVCVXFDHT-OAHLLOKOSA-N 339.317 2.563 0 50 EFAA CCc1cc(CNC(=O)[C@@H](OC)c2ccccc2C(F)(F)F)n[nH]1 932630705 NKVFZWOFWVJPPW-AWEZNQCLSA-N 341.333 2.995 0 50 EFAA O=C(CCC1CCNCC1)N1CC[C@H](COCc2ccccc2)C1 155741499 QXEJYEVGSDSYTI-IBGZPJMESA-N 330.472 2.832 0 50 EFAA Fc1ccc(-c2noc(-c3cn(C[C@@H]4CCCN4)nn3)n2)c(Cl)c1 2325777139 GLYULJLNVDDVQU-JTQLQIEISA-N 348.769 2.540 0 50 EFAA O=C(O)[C@@H]1C[C@H](Oc2ccccc2)CN1Cc1cnn(C2CCC2)c1 2325780340 ZIZXXMGUSVLPGF-ROUUACIJSA-N 341.411 2.715 0 50 EFAA CC(C)(N)c1cc(C(=O)N2CCC3(CCC(F)(F)CC3)C2)[nH]n1 2325792359 WRMQSWKAYBTTDE-UHFFFAOYSA-N 326.391 2.645 0 50 EFAA Cc1ccccc1OCC(=O)N[C@]1(C(=O)O)CCc2ccccc2C1 2325851821 KSBOZCMEVMDBLB-HXUWFJFHSA-N 339.391 2.502 0 50 EFAA Brc1ccc(CCc2nc(Cn3ccnc3)no2)cc1 2325880217 YUCIJYKJXWXNLP-UHFFFAOYSA-N 333.189 2.862 0 50 EFAA O=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 115662 HNWNLSVFBOUJHV-UHFFFAOYSA-N 342.826 2.867 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1 318274 FMZNEUBNXALYMY-UHFFFAOYSA-N 347.350 2.671 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 456669 XYPDQBXHUGDXEJ-UHFFFAOYSA-N 342.420 2.919 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 558429 IIQRMRGBGYYHJM-UHFFFAOYSA-N 329.425 2.669 0 50 EFAA COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)C[C@@H]1C 2499392 DJLGSTKNGBXRSF-TVQRCGJNSA-N 333.384 2.587 0 50 EFAA CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1 2540056 LLQPHQFNMLZJMP-UHFFFAOYSA-N 349.822 2.705 0 50 EFAA in-vitro O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCCCC1 2637026 FHSPDLVLQXEYJO-UHFFFAOYSA-N 325.412 2.749 0 50 EFAA biogenic Cn1cccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)c1=O 2356149946 YUVCECFXTCANDR-LDQXTDLNSA-N 338.451 2.505 0 50 EFAA CSc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ncc[nH]2)c1 3878196 MXDOCYQRQJEZRR-SFHVURJKSA-N 337.404 2.985 0 50 EFAA CC[C@@H](NC(=O)CCNC(=O)c1ccccc1F)c1cc(C)ccn1 55042286 JXPZITOCJQLPDH-MRXNPFEDSA-N 343.402 2.917 0 50 EFAA Cc1ccccc1Cc1nnc(NC(=O)CC[C@H]2CCOC2=O)s1 55167290 HLSAHUNQIWYREG-LBPRGKRZSA-N 345.424 2.719 0 50 EFAA CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)C1(C)C 248198088 RUPNGMWZWKFDPO-OXGONZEZSA-N 337.460 2.792 0 50 EFAA CC(=O)c1ccc(NCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100628934 MVNKCAOFHKGGTN-CABCVRRESA-N 332.787 2.776 0 50 EFAA COc1cccc(-c2ccnc3[nH]n(-c4nc(C)cc(C)n4)c(=O)c23)c1 101173481 LTESHBBTLBVSGB-UHFFFAOYSA-N 347.378 2.796 0 50 EFAA Cc1ccc(NC(=O)CC(=O)NCc2cnc3c(C)cccn23)cc1 67640962 QGRMPMFCJBJAPT-UHFFFAOYSA-N 336.395 2.596 0 50 EFAA Cc1cccnc1C(=O)NC[C@@H]1CCN(C2Cc3ccccc3C2)C1 67459345 NXRKHLQAFFGUGN-INIZCTEOSA-N 335.451 2.609 0 50 EFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CN2Cc3ncccc3C2=O)n1 65384125 JZAGQSWPTNONAL-JTQLQIEISA-N 338.333 2.897 0 50 EFAA CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 59740463 MZGWTENDADUDED-AWEZNQCLSA-N 345.443 2.868 0 50 EFAA CC[C@H](C)N(Cc1ccncc1)C(=O)CNC(=O)c1ccccc1 63847984 DHSAICTVZDTZIH-HNNXBMFYSA-N 325.412 2.639 0 50 EFAA COc1cc2c(cc1CN1CCC[C@@H](Cn3ccnc3)C1)OCO2 65460378 QHRYSVJZYQFSIX-CQSZACIVSA-N 329.400 2.533 0 50 EFAA O=S(=O)(c1cccc2ccccc12)N1CC[C@@]2(CCCNC2)C1 67589050 VVKZYVHIWQHICQ-GOSISDBHSA-N 330.453 2.604 0 50 EFAA C[C@@H]1[C@@H](NC(=O)NC(=O)CN2CCn3cccc3[C@H]2C)CCC[C@H]1C 252444178 JWYGUPRMMVDMHF-QXSJWSMHSA-N 346.475 2.515 0 50 EFAA COc1cccc(CC2CCN(Cc3ccc(OC)nn3)CC2)c1 252478953 AYAQFXAVABMGAY-UHFFFAOYSA-N 327.428 2.949 0 50 EFAA O=C([C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1)N1CCCC1 229898791 NZXKQYJHZNUOBJ-BPQIPLTHSA-N 344.430 2.790 0 50 EFAA Cc1ccnc(Oc2cc(NC(=O)[C@H]3CCC(=O)N3)ccc2C)c1 172827910 KNKOPHZOXXOXJD-CQSZACIVSA-N 325.368 2.708 0 50 EFAA CCCn1ncc(C(=O)NCc2ccc(-c3noc(C)n3)cc2)c1C 65427339 XSXMFVFAGIQEOB-UHFFFAOYSA-N 339.399 2.890 0 50 EFAA Cc1nnc([C@H]2CN(C(=O)c3cccn3C3CCCC3)CCO2)o1 328615496 YRZNNQFCRJYWDF-OAHLLOKOSA-N 330.388 2.508 0 50 EFAA COCCS(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 253416266 MDXSVFNHWWJTET-MRXNPFEDSA-N 349.456 2.580 0 50 EFAA C[C@H](Cc1cnccn1)Nc1nc(C2CCCC2)nc2c1cnn2C 72120763 JCQVLGQBDXKBIA-GFCCVEGCSA-N 337.431 2.854 0 50 EFAA Cc1cccc([C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C2CC2)n1 215993087 PRQFNSXIBFVJPM-GOSISDBHSA-N 333.395 2.852 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCC[C@@](O)(CO)CC2)s1 215066999 CUZLVTQBTJSJMT-SFHVURJKSA-N 332.469 2.828 0 50 EFAA CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCN(C3CC3)C2)C12CCCCC2 246564595 HPNMIHHVGPUJDJ-BPQIPLTHSA-N 349.519 2.898 0 50 EFAA C[C@@H](C(=O)Nc1cccc2c1OCC(=O)N2)n1cnc2ccccc21 377962173 CSXQKYWWXTXDGD-NSHDSACASA-N 336.351 2.567 0 50 EFAA Cc1noc([C@H]2CCCN(C(=O)NO[C@@H](C)c3ccccc3)C2)n1 378120909 UBAYNAJVXPSXTD-WFASDCNBSA-N 330.388 2.960 0 50 EFAA CC[C@]1(C(=O)O)CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 215462243 XFUCHGGGNXLQPZ-SFHVURJKSA-N 335.375 2.892 0 50 EFAA O[C@H]1C[C@H](c2ccc(F)cc2)N(Cc2nccn2CC(F)(F)F)C1 336879281 LXOMRMAWTFHCAG-UONOGXRCSA-N 343.324 2.892 0 50 EFAA CN(CCc1ccncc1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 215517546 RUPNQXKNFGZIDU-QGZVFWFLSA-N 327.428 2.588 0 50 EFAA CCN(CC)C(=O)c1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 240244180 DKQQJAATSIGQBO-UHFFFAOYSA-N 346.475 2.774 0 50 EFAA Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H](C)n3ccnc3)c12 72474797 PIUINUCFNZNSNW-GFCCVEGCSA-N 348.414 2.603 0 50 EFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCCc2ccncc2)c1C 219362250 RJJJBOLPIPZTNP-ZDUSSCGKSA-N 342.443 2.798 0 50 EFAA CN1CC[C@@H](N(C)Cc2ccccc2OCCN2CCCCC2)C1 222680620 XOROPVPVERVJDI-LJQANCHMSA-N 331.504 2.687 0 50 EFAA CC[C@@H](NC(=O)N1CCN(c2ncccc2C)CC1)c1ccncc1 426395397 OTVGUTCATUHJBR-QGZVFWFLSA-N 339.443 2.768 0 50 EFAA CC[C@@H](NC(=O)c1cnc2c(cnn2C)c1O)c1ccc(OC)cc1 179404824 ZEWDAIHSDQCLMJ-OAHLLOKOSA-N 340.383 2.564 0 50 EFAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 91643897 GWLKKIITIZNIPJ-OAHLLOKOSA-N 344.455 2.540 0 50 EFAA Cc1cnn(CCC(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c1 230074691 AIOBFZUOKBTXHZ-GPMSIDNRSA-N 327.428 2.959 0 50 EFAA O=C(c1ncccc1O)N1CCC(c2nccn2CC2CCC2)CC1 91736479 JMFOHXKGYLELQG-UHFFFAOYSA-N 340.427 2.804 0 50 EFAA O=C(c1ccnc(-n2cnnc2)c1)N1CC=C(c2ccccc2)CC1 97244017 FXGVUAJRYNYYLM-UHFFFAOYSA-N 331.379 2.592 0 50 EFAA Cc1cc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)nc(N)n1 92066707 SKSDGCBNRPDISR-LJQANCHMSA-N 343.475 2.519 0 50 EFAA CCN(CC)C(=O)[C@H]1CCCN(c2ncnc3nc(C)cc(C)c23)C1 95357472 YULSXPJEYQHVSJ-HNNXBMFYSA-N 341.459 2.726 0 50 EFAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CCN(C)c2ccccc21 268672990 KQDSQKYXWZOQRZ-UHFFFAOYSA-N 338.333 2.850 0 50 EFAA Cc1ccccc1CSCCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 97600901 RLMLPWNRSQBGLH-OAHLLOKOSA-N 349.500 2.525 0 50 EFAA O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 242648318 QSAMXYYSGGMNTJ-XYPYZODXSA-N 331.821 2.509 0 50 EFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]5[C@@H]6[C@H](CC[C@@H]6[C@]1(O)[C@]54C)[C@H]32 253595950 LHSMBRLTQUGMJF-XHRXVLBQSA-N 340.463 2.721 0 50 EFAA CC(C)C[C@H]1OCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCCO2 184796816 VUPHRZJVNUSIHU-DOTOQJQBSA-N 333.428 2.710 0 50 EFAA COc1ccc(Cl)cc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1OC 299773310 DHGOKIUQIVGAHD-ZFWWWQNUSA-N 341.839 2.578 0 50 EFAA C[C@@H](C(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccc(C(F)(F)F)cc1 1875313839 YUIWURUUXDYVQM-OTYXRUKQSA-N 339.317 2.608 0 50 EFAA Cc1cc(C(=O)NC23CCC(C(=O)O)(CC2)CC3)n(C2CCC2)n1 1875304340 HTZATOIQBJNCQU-UHFFFAOYSA-N 331.416 2.824 0 50 EFAA Cc1ccc(CN2CCC(Cc3ccccc3C(=O)O)CC2)nn1 1875270613 LEIFCFOCJFSELR-UHFFFAOYSA-N 325.412 2.938 0 50 EFAA Cc1ccc(-c2c[nH]cc2C(=O)N2CC[C@](O)(c3cc[nH]n3)C2)s1 1875297047 AIJKHKDDCBKRGM-QGZVFWFLSA-N 342.424 2.508 0 50 EFAA CCCc1cc(C(=O)Nc2cccc(C(=O)NCCOC)c2C)no1 952972783 UQUPNYZJLNJAIB-UHFFFAOYSA-N 345.399 2.564 0 50 EFAA Cn1cc(Cl)c(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)n1 952978355 PVLIKNOQMUVYPK-NSHDSACASA-N 335.791 2.884 0 50 EFAA Cc1c(CNCCn2nc(O)c3ccccc3c2=O)[nH]c2ccccc12 952869793 OXXUREBRBYXLSX-UHFFFAOYSA-N 348.406 2.682 0 50 EFAA O=C(N[C@H]1CC[C@H](OC(F)F)C1)N1CCOc2cc(F)ccc2C1 888099940 GAQJYAYARIOJMO-STQMWFEESA-N 344.333 2.890 0 50 EFAA Cc1nc2ccccc2n1CCN[C@@H]1CC2(CCN(C)CC2)O[C@H]1C 888099206 XASIJIJILLRDRG-MAUKXSAKSA-N 342.487 2.576 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)CCS1(=O)=O 888394461 VQOLRTDKJZJGQM-AWEZNQCLSA-N 346.452 2.767 0 50 EFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Oc2ccccc2)n1 889469815 OKNSGMYTGHSVQU-ZDUSSCGKSA-N 346.408 2.637 0 50 EFAA Cc1cc(C(F)(F)F)nc(N2CCC[C@H](n3ccnn3)CC2)n1 895104818 MSCAZAOJXBLLCX-NSHDSACASA-N 326.326 2.627 0 50 EFAA O=C([C@@H]1CCN(CC(F)(F)F)C1)N1CCCCc2ncccc21 1776008199 PSVXOQZXEVNHNZ-GFCCVEGCSA-N 327.350 2.635 0 50 EFAA CCC[C@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@@H]1N(C)C 1565515695 XATYKMUJRFUPAP-RDJZCZTQSA-N 334.435 2.977 0 50 EFAA CC(C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 276743535 BEVJYXHATKJOMA-WMLDXEAASA-N 331.391 2.861 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(Oc2ccncc2C)CC1 278402656 RHBFLAKFMWHDTL-IAGOWNOFSA-N 332.444 2.965 0 50 EFAA Cc1cscc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 188181831 DILFXRUGXVVHBN-IBGZPJMESA-N 344.480 2.766 0 50 EFAA Cc1cc(O)ccc1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 408514342 QMNJMTJDJZIIGC-UHFFFAOYSA-N 327.340 2.700 0 50 EFAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 225542624 UCMCSWMBVYHQFS-KLHDSHLOSA-N 343.489 2.703 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Nc2cccnc2)C1 190496623 HPFUNSBNEZIOJV-AWEZNQCLSA-N 345.472 2.832 0 50 EFAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2ccncc2c1 650055681 WUPJBBQAAGKKHJ-QGZVFWFLSA-N 325.412 2.612 0 50 EFAA CN1CC[C@@H](NC(=O)c2nn[nH]c2-c2ccccc2)[C@@H]1c1ccccc1 194221657 KPBZJZKYKGPRLJ-APWZRJJASA-N 347.422 2.647 0 50 EFAA CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 195373660 RPUZNAMKGGSFAR-GDBMZVCRSA-N 348.468 2.548 0 50 EFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)C[C@@H]1CCCO1 1506398062 ULLTYDYYWIISDP-NSHDSACASA-N 342.442 2.511 0 50 EFAA COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(F)cc2)C1=O 296422 QAKYKRJRMGXFIP-JLHYYAGUSA-N 340.310 2.501 0 50 EFAA CCCn1cnnc1[C@H](C)Nc1cc(CC)nc(N2CCCC2)n1 1704353418 WOIDWXWHEUTFNS-ZDUSSCGKSA-N 329.452 2.814 0 50 EFAA CC[C@H](Cc1ccco1)N1CCCN(C(=O)c2cccnc2)CC1 1775980778 JRWSUKJGEFFFPO-QGZVFWFLSA-N 327.428 2.844 0 50 EFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1cc(-n2cccn2)ccc1Cl 1772805721 PYZVYEYQNVDBMY-IRXDYDNUSA-N 344.846 2.882 0 50 EFAA Cc1cc(C(=O)NCc2cccnc2N2CCc3ccccc3C2)no1 15071352 WJYOXIWEFBCWOW-UHFFFAOYSA-N 348.406 2.871 0 50 EFAA Cc1cccc(CN2CCC[C@@](O)(CNCc3ccccc3)C2=O)c1 15076885 RMUZGRUWPVLVFZ-OAQYLSRUSA-N 338.451 2.638 0 50 EFAA CC(=O)c1ccc(NCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 18008511 MVNKCAOFHKGGTN-HUUCEWRRSA-N 332.787 2.776 0 50 EFAA CC12CN3CC(C)(CN(C1)C3c1cccc(Br)c1)C2=O 19312833 HMPDTICANIIRFK-UHFFFAOYSA-N 335.245 2.674 0 50 EFAA biogenic O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cnn2c1OCCC2 1857527474 QPEYEROJXUFHAW-KOMQPUFPSA-N 341.411 2.786 0 50 EFAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(NC(C)C)nc2)o1 1857529513 IGFVHDDXNYREEK-KSSFIOAISA-N 341.415 2.745 0 50 EFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)nc(C)n1 1857667080 ILCRNAMHOBTNFH-UHFFFAOYSA-N 347.422 2.725 0 50 EFAA NC(=O)c1cc(N2CCC(O)(c3ccccc3)CC2)nc2ccccc12 1857676530 IXPRGFRFADELBT-UHFFFAOYSA-N 347.418 2.822 0 50 EFAA Fc1ccc(-c2csc(-c3nccn3C[C@@H]3CNCCO3)n2)cc1 1857689025 BUAUNTIRAIFQMX-AWEZNQCLSA-N 344.415 2.801 0 50 EFAA O=C(NCCc1nc2c(s1)CCC2)[C@H]1CC[C@H](c2ccccc2)N1 1857722361 FQZACIZXCZKEIT-GDBMZVCRSA-N 341.480 2.784 0 50 EFAA CC(C)n1cnnc1C1CCN(C(=O)c2cc(C(=N)O)cs2)CC1 331978284 VYEIJMQPVPGBJY-UHFFFAOYSA-N 347.444 2.824 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1ccco1)c1ccc(Br)cc1 238167774 CULUVYDLVJMPAU-LLVKDONJSA-N 338.157 2.988 0 50 EFAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc(OC)c(Cl)c1)C2 247883639 JZLUYJSLSZLPHM-CVEARBPZSA-N 338.879 2.891 0 50 EFAA O=C1C[C@@H](c2nc(-c3cocn3)no2)CN1c1ccccc1Cl 350877259 KOVHVHCYOGHISI-SECBINFHSA-N 330.731 2.899 0 50 EFAA COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)C[C@H]1C 252537097 KHFVMTVMLQMNBP-SHFYGJNESA-N 330.428 2.761 0 50 EFAA CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(N3CCCC3=O)cn2)CCO1 253425807 FSPICKNHRRFSNH-HOCLYGCPSA-N 345.443 2.988 0 50 EFAA O=C(NCC1(c2cccc(Br)c2)CCC1)[C@H]1CCNC1 152683218 CALXFSKKOCGIFX-LBPRGKRZSA-N 337.261 2.597 0 50 EFAA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)Cc2coc3ccccc23)n1 370543813 LNVIFCKRQHWXBV-INIZCTEOSA-N 338.411 2.875 0 50 EFAA COC(=O)C[C@H](NC(=O)c1c[nH]nc1C1CC1)c1cccc(Cl)c1 789804543 SZKPORCFUCYERJ-AWEZNQCLSA-N 347.802 2.975 0 50 EFAA FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@@H]1CCOC1 922529395 UXNDOIBALASTBL-ARFHVFGLSA-N 328.378 2.675 0 50 EFAA COC1(CN[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 230212778 GXXSENNDAGGEPV-VAMGGRTRSA-N 344.499 2.682 0 50 EFAA O[C@@H](COCc1ccccc1)CN1CCC[C@H]1c1noc(C2CC2)n1 257366081 IDEQOOHGMZLVOM-SJORKVTESA-N 343.427 2.662 0 50 EFAA CC(C)(C)c1nc2cc(NC(=O)c3cnn4c3CNCC4)ccc2o1 2325765965 ATWVSWDHFPYISA-UHFFFAOYSA-N 339.399 2.677 0 50 EFAA Cc1cc(C2CN(C(=O)CC[C@@H]3Cc4ccccc4NC3=O)C2)no1 2325791327 OGPXIFYQPPWPII-CQSZACIVSA-N 339.395 2.500 0 50 EFAA NCCCN(CC1CCCC1)C(=O)c1csc(-c2ncc[nH]2)n1 884286866 MZPNYNCIRKQVKE-UHFFFAOYSA-N 333.461 2.514 0 50 EFAA CC(=O)Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 268373 PWRWELWKIRIYAA-UHFFFAOYSA-N 330.291 2.768 0 50 EFAA CCCC1=NN(C(=O)c2ccccc2OC)[C@@](O)(C(F)(F)F)C1 274553 RUOBEPJUBADJEX-AWEZNQCLSA-N 330.306 2.948 0 50 EFAA COC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 304537 PZJICVSRCGKTBI-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA Cn1c(SCc2nc3n(n2)CCCCC3)nc2ccccc2c1=O 401045 YLYMKFDTXHSYEX-UHFFFAOYSA-N 341.440 2.544 0 50 EFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1C 563039 UXNFNHSSDWQPNI-UHFFFAOYSA-N 349.408 2.899 0 50 EFAA Cc1ccc(C)c([C@H](C)NC(=O)CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 2356142292 MNVPDGJQJXABSM-QXCZDIPSSA-N 344.499 2.962 0 50 EFAA COc1ccc(N2C(=O)C[C@@H](Cc3ccccc3OC)C2=O)cc1 2933024 UMKNJUNJGCPOCZ-CQSZACIVSA-N 325.364 2.826 0 50 EFAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1C 3588028 ORUKADIZZKBWRV-OCCSQVGLSA-N 345.472 2.664 0 50 EFAA CCOC(=O)Cc1csc(NC(=O)c2cccc(OCC)c2)n1 4750440 LABNTHQZFDNBNE-UHFFFAOYSA-N 334.397 2.900 0 50 EFAA COc1ccccc1O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 4986301 GYAORVBACDELTI-LBPRGKRZSA-N 329.352 2.508 0 50 EFAA O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 350729247 JGSNJQXWBKNAMP-UHFFFAOYSA-N 344.348 2.841 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2cc(F)ccc2F)c1 282603735 URUBTLQQPIQVNL-CRAIPNDOSA-N 347.361 2.850 0 50 EFAA Cc1ccc(C2(O)CCN(C(=O)c3ncoc3C(C)C)CC2)nc1 67473073 OUOFLFQWYOYMJC-UHFFFAOYSA-N 329.400 2.625 0 50 EFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccc3oc(C)nc13)CC2 328588402 FHZPOSMZAZCOOH-HZPDHXFCSA-N 344.411 2.528 0 50 EFAA Nc1nccnc1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 328587833 AAHYOYZXDIWOLA-UHFFFAOYSA-N 330.338 2.657 0 50 EFAA COc1cc(-c2nc(Cn3nc(C)nc3C)c(C)o2)cc2c1OCO2 67727061 LXINUOHLRMQBII-UHFFFAOYSA-N 342.355 2.644 0 50 EFAA O=c1c2ccccc2nc(S)n1[C@H]1CCO[C@@]2(CCSC2)C1 127844313 XSQVOWBXYXJGEA-ZBEGNZNMSA-N 334.466 2.912 0 50 EFAA O=C([C@H]1C[C@]12CCOc1ccccc12)N1CC(O)=Nc2cnccc21 329803136 JPRRBOWWJXFYIX-YJYMSZOUSA-N 335.363 2.757 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)NCC1(N2CCCCC2)CCOCC1 253420189 VBGQKRUYKBGSPB-UHFFFAOYSA-N 347.459 2.625 0 50 EFAA CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(C)Cc2ccccc21 360698946 MUVGMSUZUNVJAD-CQSZACIVSA-N 332.835 2.552 0 50 EFAA CC(=O)N1CCCc2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 357429667 ZCHSBMSNJMCWDY-UHFFFAOYSA-N 338.363 2.936 0 50 EFAA O=C(O)c1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)cc1 237950498 MSKYGVUCTRUPJT-CDVVCGDMSA-N 327.336 2.591 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 156672084 JOPLCMKAVURWRP-LLVKDONJSA-N 341.367 2.613 0 50 EFAA C[C@@H](c1ccccc1)[C@H](O)CN(C)CC(=O)Nc1cc(F)cc(F)c1 450557088 VITIIWFDEZHRNS-SCLBCKFNSA-N 348.393 3.000 0 50 EFAA O=C1C[C@@]2(CCN(CC(c3ccccc3)c3ccccc3)C2)C(=O)N1 77392658 FETFCZSIHXFYTP-OAQYLSRUSA-N 334.419 2.557 0 50 EFAA Cc1nc(CCn2ccnc2-c2cc3n(n2)CCNC3)sc1Cl 72436177 YKECXOYJKKPQKK-UHFFFAOYSA-N 348.863 2.511 0 50 EFAA O=C(CCC(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1)c1cccs1 263166435 YIWOROVKEBKPGC-ZDUSSCGKSA-N 349.330 2.577 0 50 EFAA Fc1ccc(CC2CCN(c3nccn4cnnc34)CC2)cc1F 376386699 OLKIKNBFLHPWDB-UHFFFAOYSA-N 329.354 2.862 0 50 EFAA CCCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)C[C@H]1C(=O)O 72145263 KNJAUWRSHOEUJP-INIZCTEOSA-N 344.459 2.510 0 50 EFAA COC[C@H]1CN(C(=O)c2c(OC)cnc3ccccc23)CC(C)(C)O1 285519346 OHNBDKIHDXQPEZ-CYBMUJFWSA-N 344.411 2.509 0 50 EFAA CC(C)c1cc(N2CCCN(c3ccncc3)CC2)n2nccc2n1 72149512 HBCXVDWIFALZDP-UHFFFAOYSA-N 336.443 2.964 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)on1 343959326 ZUSFMDBHQJWABS-SNVBAGLBSA-N 342.321 2.755 0 50 EFAA CCc1nc(CCNC(=O)CSc2nc(C)cs2)cs1 223676384 DAKTYRBZBAKPGI-UHFFFAOYSA-N 327.500 2.921 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2cccc(Cl)c2OCC(F)F)N1 288184076 BNFLVUXFJHQVBF-SNVBAGLBSA-N 332.734 2.591 0 50 EFAA Cc1nn(C)c2nccc(OCC(=O)N3CCC[C@H]4CCCC[C@@H]43)c12 289405455 ORFZGLVADJGAAJ-CABCVRRESA-N 342.443 2.837 0 50 EFAA COc1cc2c(N3CC[C@@H](C(=O)N4CCCC4)C3)ccnc2cc1F 291206458 UWNAGUOJIIUVHZ-CYBMUJFWSA-N 343.402 2.831 0 50 EFAA CN(C)Cc1ccccc1CN(C)c1cc([C@H]2CCOC2)ncn1 426612297 GOQCILDAQMJVKJ-KRWDZBQOSA-N 326.444 2.679 0 50 EFAA COc1ccccc1C[C@@H]1CCCN1c1ncnc2c1CN(C)CC2 222193255 BRCDYTBMEYDSFO-INIZCTEOSA-N 338.455 2.685 0 50 EFAA CCOC(=O)c1ccsc1NC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 239403028 RKMLPYBQVRUMIO-XRRVDJEJSA-N 349.408 2.776 0 50 EFAA Cc1noc([C@H]2CN(C[C@@H](OC(C)C)c3ccccc3)CCN2C)n1 292840992 NFRBDOWMHBXOOC-QZTJIDSGSA-N 344.459 2.833 0 50 EFAA NCCc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)cc1 91950661 ACMZTMNKRMECBO-RBUKOAKNSA-N 342.414 2.627 0 50 EFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 239235349 VVBQHCRMLCIBDR-INDMIFKZSA-N 339.435 2.991 0 50 EFAA Nc1nc(CCNC(=O)c2ccc(CN3CCCCC3)cc2)cs1 95369731 GZTSXUHSMWBNBC-UHFFFAOYSA-N 344.484 2.684 0 50 EFAA CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1 92028401 GALJXSDTJQOJOV-INIZCTEOSA-N 325.416 2.769 0 50 EFAA CN(C(=O)CN1C[C@H](Cc2ccccc2)CC1=O)C1CCCCC1 95508639 ZUKYCONUSFEEBV-QGZVFWFLSA-N 328.456 2.869 0 50 EFAA O=C(NCCOCc1ccccc1)[C@H]1CCCN(C2CCCC2)C1 95359452 YEUSQWUCZHOILK-SFHVURJKSA-N 330.472 2.974 0 50 EFAA CN1CCN(Cc2ccccc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 91460674 UNYWMHUTXNYWHE-NRFANRHFSA-N 341.499 2.595 0 50 EFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccccc3s1)C2 91943942 GKVVACDRSCAQMY-DZGCQCFKSA-N 328.437 2.984 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(=O)c2ccccc2o1 299744567 SWAYUEQPIZBEMA-YUTCNCBUSA-N 341.363 2.651 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)NOCc1ccc(F)cc1 184642667 FUBZKPPKNGZVAR-MRXNPFEDSA-N 332.379 2.636 0 50 EFAA CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1 299760102 RMLZTWYZSRCLJL-OAHLLOKOSA-N 329.425 2.551 0 50 EFAA Cc1ccccc1CC1(NC(=O)CC[C@@H](C)N2CCN(C)CC2)CC1 299788783 XJOPYLOYORNBAZ-GOSISDBHSA-N 343.515 2.602 0 50 EFAA Cc1noc(CN2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)O)C2)n1 299764494 HWADQSXRJIVHSA-BXWFABGCSA-N 341.411 2.849 0 50 EFAA O=C(O)c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@H](CO)C1 299790932 CXTIZCXXUJFRGE-LBPRGKRZSA-N 330.359 2.795 0 50 EFAA CN(C)C(=O)c1cccc(N2CCCN(C3CCCCC3)CC2)n1 828175176 XHCFTMKUWDANOE-UHFFFAOYSA-N 330.476 2.628 0 50 EFAA Cc1ccc(CN2CCC(CNS(=O)(=O)C3(C)CC3)CC2)cc1 952964928 YKBQIWCFJNJQMJ-UHFFFAOYSA-N 336.501 2.679 0 50 EFAA OC[C@@H]1[C@H](CO)CCCN1c1nc(-c2ccccc2)c2ccccc2n1 1458596136 PCPAIIVQZXIALZ-QFBILLFUSA-N 349.434 2.866 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)CCN2CCCCCC2=O)c1C 952981676 VGVVJXLYOQQUBO-UHFFFAOYSA-N 344.415 2.617 0 50 EFAA CN(C)c1ccc(CCNC(=O)c2ccc(CN3CCCC3)o2)cc1 952967402 HUOMLSHGVWWYRQ-UHFFFAOYSA-N 341.455 2.914 0 50 EFAA CC(=O)N1C[C@@H](NC(=O)c2ccc(C)cc2F)CC[C@@H]1C(F)(F)F 886035000 LXFKLHUMMUBGAX-SMDDNHRTSA-N 346.324 2.806 0 50 EFAA FC(F)Oc1cc(-c2noc(C34CCCN(CCC3)C4)n2)ccn1 1774956083 ZHAWNXKBOZVUKW-UHFFFAOYSA-N 336.342 2.860 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)Nc1nccnc1-n1cccn1)CCC2 1776005723 GDOLFHDODSVVGR-HNNXBMFYSA-N 349.394 2.730 0 50 EFAA CC(=O)N1C[C@@H]2CN(C(=O)c3c(Cl)ccc(F)c3C)C[C@]2(C)C1 993064347 SHWOUSIFGNXYFN-PXAZEXFGSA-N 338.810 2.728 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CC[C@@H](c2nc[nH]n2)C1 1362590672 LKJNBAUWTVXXEA-KWCYVHTRSA-N 348.353 2.526 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)c(C)o1 1565527454 QHEFUMIBNYRHNI-WBVHZDCISA-N 332.444 2.612 0 50 EFAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1coc2c(C)c(C)cc(C)c12 1565512200 ZGEIQEYCCFHVKW-HOTGVXAUSA-N 331.412 2.821 0 50 EFAA Cc1[nH]ncc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 280454175 IBJMNAWBOJVQNW-LBPRGKRZSA-N 347.724 2.854 0 50 EFAA CNC(=O)[C@]1(C)CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 280491587 IGFBOFRLHGRRLR-CQSZACIVSA-N 329.322 2.695 0 50 EFAA CNC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 281900465 XEUIYPUQYKWEJA-JKSUJKDBSA-N 349.862 2.754 0 50 EFAA C[C@@H]1CCC[C@@H]2CCCN(C(=O)COc3ccc(CC(N)=O)cc3)[C@@H]12 222151350 OQAXDWJTCXDDAI-KKVAFCGZSA-N 344.455 2.520 0 50 EFAA O=C(NC1(C(=O)O)CCC1)c1cc(Cl)ccc1Br 225475550 KLUNNAZOXFMZHK-UHFFFAOYSA-N 332.581 2.840 0 50 EFAA CCN(CC(F)(F)F)C(=O)C(=O)Nc1cccc(-c2cnco2)c1 225686931 SMPSKXYXLDIQKY-UHFFFAOYSA-N 341.289 2.691 0 50 EFAA NC(=O)c1cc(=NCc2cnn(-c3ccccc3)c2)[nH]c2ccccc12 642116417 NCIZJGBHNLYJHE-UHFFFAOYSA-N 343.390 2.553 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2)c1C 643323023 BRMMVMLXHMRQNP-UHFFFAOYSA-N 337.383 2.720 0 50 EFAA Cc1cs/c(=N\c2ccc(C(N)=O)cc2)n1[C@H]1C[C@H]2CC[C@H]1O2 191891086 SLWOOIVNDRXHMS-NEIYXTIMSA-N 329.425 2.682 0 50 EFAA 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1875305059 DYJBFCKHWTULLQ-UHFFFAOYSA-N 343.475 2.838 0 50 EFAA Cn1nc(O)cc1C(=O)N[C@H](c1ccccc1)C(F)(F)C(F)(F)F 1875313285 OFHURKVDWHWETD-LLVKDONJSA-N 349.259 2.794 0 50 EFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2oc(C4CC4)nc2C)C3)o1 952851695 RMHCLEQBWIHZNV-UGSOOPFHSA-N 342.399 2.746 0 50 EFAA C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(OCC(F)(F)F)nc2)C1 952884343 YILDLERAOPMTJR-NSHDSACASA-N 340.349 2.940 0 50 EFAA O=C(Cc1ccc2c(c1)CCO2)N[C@@H](CO)c1ccc(F)c(Cl)c1 1875298171 QDMPLTZHOPNZDX-INIZCTEOSA-N 349.789 2.806 0 50 EFAA C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)C2CC(F)(F)C2)C1 1875279592 FUZBEXVVPVNWAB-OCCSQVGLSA-N 344.427 2.539 0 50 EFAA Clc1cnc(N2CCN(c3ncnn4cccc34)CC2)c(Cl)c1 1875294063 LWJMMTBNVCSCEC-UHFFFAOYSA-N 349.225 2.758 0 50 EFAA Cc1cccc(CN(C(=O)[C@@H](N)Cc2cnc[nH]2)C2CCCCC2)c1 952871674 APTJSWGJAWJAAM-IBGZPJMESA-N 340.471 2.949 0 50 EFAA O=C(NCc1cc(Br)ccc1F)NC1CC(CCO)C1 891963572 JHFYIHOZMRXCQQ-UHFFFAOYSA-N 345.212 2.548 0 50 EFAA CCOCc1nc(C)cc(N2CC[C@@H](CNc3cc(C)ccn3)C2)n1 892218929 NELSWFCFADBGBE-INIZCTEOSA-N 341.459 2.963 0 50 EFAA COc1ccc(C(=O)N2CCN(C)c3ncc(C)cc32)c(OC)c1 1412336558 ODPKFMPXZNSLRB-UHFFFAOYSA-N 327.384 2.504 0 50 EFAA C[C@@H](C(=O)N1CCC(Cc2ncon2)CC1)c1c(F)cccc1F 1412648767 FRNQIPAQHWHRKB-LLVKDONJSA-N 335.354 2.933 0 50 EFAA CC(C)(C)OC(=O)NC1CCN(c2ncnc3ccc(O)cc23)CC1 1775998229 BYOSGOROOXJBQK-UHFFFAOYSA-N 344.415 2.829 0 50 EFAA COc1cccc([C@@H](C)CC(=O)NCc2nc(CC(=O)O)cs2)c1 1775990573 CDPOXKJIIWQCEH-NSHDSACASA-N 348.424 2.589 0 50 EFAA COc1ccc2c(c1)OC[C@@H](NC(=O)NCc1ccc(Cl)cn1)C2 271906712 PRGIBAOBXMZSDP-AWEZNQCLSA-N 347.802 2.547 0 50 EFAA COc1ccc2nc(N3CCC[C@@H]3[C@H]3COCC[C@]3(C)O)ccc2c1 671451295 GBRPLJVSOMUPCE-POAQFYNOSA-N 342.439 3.000 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 185736896 TZZWUPMGLLMTBZ-UHFFFAOYSA-N 349.394 2.855 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2nccc3ccccc23)CCO1 276437104 XCFGOLSWMITRFI-RHSMWYFYSA-N 336.395 2.618 0 50 EFAA COc1cc2c(NCCCN3C[C@@H](C)O[C@H](C)C3)ncnc2cc1F 170596362 GHMOOYIUMVHOIP-CHWSQXEVSA-N 348.422 2.689 0 50 EFAA CN(C)c1ncc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cn1 170611996 IMTCQORCXUFJPS-LLVKDONJSA-N 345.369 2.985 0 50 EFAA O=C(Nc1nc2c(s1)COCC2)c1cc(F)cc2nccnc12 171017836 NMEACOYLRJGXDL-UHFFFAOYSA-N 330.344 2.550 0 50 EFAA CCSCCCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 282489659 MYYZOTBOTOIELH-UHFFFAOYSA-N 348.472 2.749 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473710 JJHALIIZMQVFTB-KSSFIOAISA-N 329.444 2.983 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cn2)c1 408516079 LJGOMKSCITZWOJ-CYBMUJFWSA-N 330.359 2.550 0 50 EFAA CCc1[nH]nc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1C 408523213 PYQLVGYBYGZQJG-UHFFFAOYSA-N 342.443 2.947 0 50 EFAA C[C@H]1COCCN1C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 408517932 PMQMKZNOUKVPFI-LBPRGKRZSA-N 340.826 2.804 0 50 EFAA COc1cc(NC(C)=O)ccc1NC(=O)N(C)CCCN1CCCC1 408515847 WLBJEKGLWBCNRL-UHFFFAOYSA-N 348.447 2.603 0 50 EFAA CNC(=O)c1ccc(CNC(=O)NCc2ccc3ncccc3c2)cc1 225400622 YSWXXNBUYZNNIE-UHFFFAOYSA-N 348.406 2.594 0 50 EFAA O=C(COCC1CC1)Nc1cccc2c1CN(CC(F)(F)F)C2 189543949 VMQQLCPBWCLDPK-UHFFFAOYSA-N 328.334 2.930 0 50 EFAA C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ncnn2C)cc1 190221665 JOLFBPKCIHVDAV-XJKSGUPXSA-N 328.416 2.556 0 50 EFAA Cc1ccc(CS(=O)(=O)NCC2(c3ccccn3)CC2)c(F)c1 192833302 MRPXRKXDQCMFAV-UHFFFAOYSA-N 334.416 2.680 0 50 EFAA COCCOc1ccc(CNC(=O)c2nc3cccnc3s2)cc1 193880900 BNKQLSFSHDCCCC-UHFFFAOYSA-N 343.408 2.647 0 50 EFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1OCCc2ccccc21 653327946 BNXPWFWOJMLESD-KURKYZTESA-N 337.375 2.730 0 50 EFAA COc1cccc([C@@H](NC(=O)c2ccnn2C2CCCC2)C(=O)O)c1 659174595 HVCYMPGATXSEJH-MRXNPFEDSA-N 343.383 2.563 0 50 EFAA C[C@@H](C(=O)O)N(Cc1cc2c(cc1Cl)OCCO2)C1CCC1 659795000 FLXDVPOQTZBWHF-JTQLQIEISA-N 325.792 2.939 0 50 EFAA O=C(Nc1nc(-c2cccc(Cl)c2)cs1)[C@@]1(O)CCCNC1 662471507 IBGUHXUQUHGDIT-OAHLLOKOSA-N 337.832 2.517 0 50 EFAA CO[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1Cc1cc(C)no1 1529161579 LOSKELBTAUTDGB-ACJLOTCBSA-N 342.399 2.656 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Br 223832582 YDFCHRJNNJDASO-SNVBAGLBSA-N 332.581 2.792 0 50 EFAA Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 5396603 RDCHNZPLONAACK-UHFFFAOYSA-N 337.354 2.997 0 50 EFAA COc1ccc(OC)c(NC(=O)c2ccc(-n3nncc3C)cc2)c1 11690397 ATJJIRKYPCTYMF-UHFFFAOYSA-N 338.367 2.845 0 50 EFAA O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12204064 OMZRHDWTFFGKKD-IBGZPJMESA-N 348.393 2.716 0 50 EFAA CCCCn1c(CN(C)C)cnc1S(=O)(=O)CCCC(C)C 12305428 RYMFEGZOGYRZOL-UHFFFAOYSA-N 329.510 2.955 0 50 EFAA CC(C)CN1CCN(Cc2ccccc2OC(F)F)CCC1=O 14990412 DDUQYXRPJMQASZ-UHFFFAOYSA-N 326.387 2.978 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1cccnc1 15067287 UYLPEWYKLGMBCA-SFHVURJKSA-N 345.402 2.766 0 50 EFAA CC(C)NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 169765610 RTGYTIJWNVLPDI-UHFFFAOYSA-N 327.428 2.503 0 50 EFAA Cc1nc(N2CCC(NC(=O)C3CCC3)CC2)cc(C(F)(F)F)n1 169772442 IDBXTWZCHPAENJ-UHFFFAOYSA-N 342.365 2.689 0 50 EFAA O=C1NCCN(C(=O)NCCC2=CCCCC2)[C@H]1c1ccccc1 154483103 ZNYWCYWRKZEMIG-KRWDZBQOSA-N 327.428 2.760 0 50 EFAA O=C1COc2c(Cl)cc(-n3ccnc3-c3cnsc3)cc2N1 1857704732 DBTJDWXHSOGKJL-UHFFFAOYSA-N 332.772 2.980 0 50 EFAA CCCc1ccc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)o1 1857708410 SJMXBAKAJQRXFD-SCTDSRPQSA-N 332.444 2.790 0 50 EFAA O=C(CC1(O)CCCCC1)NCc1ccc(O)c(Br)c1 305120527 MIQOYKBLGRUHID-UHFFFAOYSA-N 342.233 2.856 0 50 EFAA O=C(O)c1ccc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)cc1 652448417 NADHMIQWQJYBPB-INIZCTEOSA-N 326.400 2.518 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)n1 653329418 WCPSZNMLUHEFGG-KBRIMQKVSA-N 341.411 2.880 0 50 EFAA O=C(c1cn([C@H]2CCCN(CC3CCCCC3)C2)nn1)N1CCCC1 14993904 HVFGNSFHQMFTGT-KRWDZBQOSA-N 345.491 2.731 0 50 EFAA COc1cc(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)c(C(N)=O)cc1OC 253395280 VXILYRPTLONIKX-ZJUUUORDSA-N 344.367 2.771 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2CNC(=O)Cc2cccc(Cl)c2)cn1 253395851 SWDAREMRVOXTAK-KDOFPFPSSA-N 347.846 2.993 0 50 EFAA O=C(CNc1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1 151165319 ZQLCCUYNAIQAHR-UHFFFAOYSA-N 343.471 2.786 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CCCC34CCOCC4)C2)c1 368479920 XOUBMPILIWVZKB-DLBZAZTESA-N 346.475 2.887 0 50 EFAA Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)o1 158647627 MKVHKFBLRMNHLB-KRWDZBQOSA-N 340.423 2.860 0 50 EFAA O=C(O)CN(Cc1cccc(Br)c1)C(=O)C1CC=CC1 263282697 YWJLGMDEGAPAKB-UHFFFAOYSA-N 338.201 2.829 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cncc(Cl)c3)C1)CC2 1704298342 JFWLEXLLGSGDAS-SFHVURJKSA-N 342.830 2.954 0 50 EFAA CS(=O)(=O)N1CC[C@H](CSc2nc3ccc(F)cc3s2)C1 918932086 OHLZAGSTQYEAPA-VIFPVBQESA-N 346.474 2.809 0 50 EFAA CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(C)n1 819742104 YYVONJBSTFISMS-UHFFFAOYSA-N 326.322 2.539 0 50 EFAA CCCc1nc(C)c(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)o1 831430319 LDRKCGWWJQWYPP-UHFFFAOYSA-N 334.803 2.933 0 50 EFAA O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N[C@H]1C[C@H](CO)C1 931813520 RZJCTZKHPYZYJZ-KYZUINATSA-N 338.820 2.751 0 50 EFAA CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(N)=O)cc21 3683822 FLEPBVQWQYFDIT-UHFFFAOYSA-N 338.411 2.502 0 50 EFAA CSc1ccccc1N1C(=O)CN(C(=O)c2ccncc2)C[C@H]1C 12183628 WZQLWCNSAGWKGD-CYBMUJFWSA-N 341.436 2.681 0 50 EFAA COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(=O)O)cc3)cc2c1 2902003 OTADIZPBPSZBHN-UHFFFAOYSA-N 339.303 2.752 0 50 EFAA CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2nsc3ccccc23)C1 2325762798 GMKLDMZCTLSXOQ-CYBMUJFWSA-N 345.468 2.921 0 50 EFAA C[C@@H](Nc1ncnc2c1NC(=O)CO2)c1nc(C(C)(C)C)cs1 2325770733 CJNCHZWYTJUJCQ-MRVPVSSYSA-N 333.417 2.735 0 50 EFAA O=S1(=O)C[C@@H](NC2CCC3(CCCCO3)CC2)C12CCCC2 2325784361 XIVAOEMBZBLSSD-HWOWSKLDSA-N 327.490 2.568 0 50 EFAA O=C1CC[C@H](C(=O)N[C@H]2[C@H]3CCC[C@H]3[C@H]2OCc2ccccc2)C1 2325784438 GBZLAJLXZNRVAX-BHNDVYRESA-N 327.424 2.856 0 50 EFAA O=C(c1c(F)cccc1F)N1CCN(C(=O)C2(C3CCC3)CC2)CC1 2325784720 FOSIJUGXMUHGOT-UHFFFAOYSA-N 348.393 2.830 0 50 EFAA O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(F)c1 170593 LDSGMSNBXPHLPK-UHFFFAOYSA-N 329.360 2.532 0 50 EFAA NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 309019 CCHSSYJKFUMEAG-UHFFFAOYSA-N 339.342 2.838 0 50 EFAA CCOc1cc(C(=O)Nc2cnccn2)cc(OCC)c1OCC 1053390 PNKCHSQQIVTJFK-UHFFFAOYSA-N 331.372 2.925 0 50 EFAA O=C(c1csc(-c2ccccc2)n1)N1CCC[C@]12CCCNC2=O 2356139322 WFEMYAFBCJKSJP-SFHVURJKSA-N 341.436 2.695 0 50 EFAA O=C(C1CCOCC1)N(CCO)CCSc1ccc(Cl)cc1 55197336 LFIMPGIEWKQKJA-UHFFFAOYSA-N 343.876 2.680 0 50 EFAA O=C(NCCCN1CCCC1)c1ccc(CN2CCCCC2)cc1 10450184 ZNKBEOUBMGMXDC-UHFFFAOYSA-N 329.488 2.888 0 50 EFAA CC[C@H](C)N(Cc1ccncc1)C(=O)c1cnc2ccccn2c1=O 55243514 KGQICBOFRYSKQC-AWEZNQCLSA-N 336.395 2.530 0 50 EFAA OCC[C@H]1CN(c2ncccc2Cl)CCN1Cc1cccs1 106989192 XZGGEWWDVDFUME-ZDUSSCGKSA-N 337.876 2.870 0 50 EFAA CC(=O)Nc1cccc([C@H](C)NC(=O)Cc2cccc(C(=O)O)c2)c1 347381524 WGLAFKTWZJHZHE-LBPRGKRZSA-N 340.379 2.763 0 50 EFAA COCCc1noc(CN(C)C(=O)c2oc3cc(C)ccc3c2C)n1 65467629 SWBRXMAZHGSTEY-UHFFFAOYSA-N 343.383 2.894 0 50 EFAA CC1(C)[C@H](NC(=O)Nc2ccc(Cn3cccn3)cc2)[C@@H]2CCO[C@H]21 230088226 ORKZWRCWFRIIOP-GVDBMIGSSA-N 340.427 2.866 0 50 EFAA O=C([C@H]1CCCNC1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 122109865 INPWSENWROCDNB-WMZOPIPTSA-N 344.480 2.810 0 50 EFAA CC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20725834 QKKPKTGJQZUOND-INIZCTEOSA-N 326.868 2.638 0 50 EFAA Cc1ccc(CCNS(=O)(=O)c2cc(C)c(Cl)s2)cn1 252478700 ASTBVPXBZVAOJH-UHFFFAOYSA-N 330.862 2.934 0 50 EFAA CCC[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1 20254749 KCVSRPOLTUDCPH-QGZVFWFLSA-N 343.427 2.778 0 50 EFAA CC(=O)N(C1CCC1)[C@@H]1CCCN(Cc2nc(C)ccc2O)CC1 328629618 IKNXBYFNVZZDBR-QGZVFWFLSA-N 331.460 2.851 0 50 EFAA COC[C@@H](Cc1ccccc1)N[C@H](c1nc(C)no1)C1CCOCC1 328637961 WECPWFZXONWJDS-MSOLQXFVSA-N 345.443 2.693 0 50 EFAA COc1ccc(C2=NO[C@@H](CNC(=O)c3cscc3C)C2)cc1 283463774 ICXVFHZNVJBNLN-CQSZACIVSA-N 330.409 2.988 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)N2CCc3cccc(C(=O)O)c32)c1 253398382 UKLNVHPEOYEIFH-UHFFFAOYSA-N 331.393 2.753 0 50 EFAA O=C(CN1C[C@H](O)C[C@@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 253396739 QMGKNFHHMBSVGS-HUUCEWRRSA-N 349.793 2.621 0 50 EFAA COC(=O)c1ccc(N2CCC(F)(c3cccc(OC)c3)CC2)nn1 253426717 VUYSEWLAMISWMC-UHFFFAOYSA-N 345.374 2.737 0 50 EFAA CCn1nc(C)c(NC(=O)CN2CC[C@@H]2c2cccc(OC)c2)c1C 65466770 OPIYQBZUFFAXJA-QGZVFWFLSA-N 342.443 2.914 0 50 EFAA CCc1nc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)no1 32587144 MWAXKCKETXEJQH-SECBINFHSA-N 330.413 2.577 0 50 EFAA Cc1cccc2c(CC(=O)N[C@H](CC(N)=O)c3ccccc3)c[nH]c12 358457420 BUURWXSNBTWRHV-QGZVFWFLSA-N 335.407 2.752 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)O[C@H]2CCOc3ccccc32)cc1 4110266 RYQDCXBFQJDPFZ-INIZCTEOSA-N 347.392 2.934 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@@H]1N1CCOCC1 257366362 UQTDFDSBYUMVDI-TUVASFSCSA-N 348.409 2.534 0 50 EFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1N1CCOCC1 257366329 SFLINSWKYOBKHX-KBUPBQIOSA-N 348.409 2.534 0 50 EFAA O=S(=O)(c1ccc(Br)cc1)n1ccc(C2CC2)n1 6242413 LRMLUNUXYZWUFS-UHFFFAOYSA-N 327.203 2.760 0 50 EFAA CC(C)[C@H]1CN(C(=O)C2(Cn3cccn3)CC2)CCCN1CC1CC1 72148765 WOLBRBIOWWOZNW-GOSISDBHSA-N 344.503 2.632 0 50 EFAA CCc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F 368392901 LDWWFTGHQZPZHE-HUUCEWRRSA-N 342.436 2.865 0 50 EFAA CCc1oc(C(=O)NC[C@@H]2CCOc3ccccc32)cc1C(=O)O 261721278 WUKYBXJDARNXDO-NSHDSACASA-N 329.352 2.836 0 50 EFAA O=C(N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 242155943 WUNYAXZNWOLCSN-RNJTYBCJSA-N 344.430 2.883 0 50 EFAA Cc1cccc(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](N)C2)c1 457361038 GHIYYMOVCUSWMQ-RBUKOAKNSA-N 342.414 2.856 0 50 EFAA CCCOc1ccccc1C(=O)NCc1c(C)ncc2c1CCNC2 72454665 MGPLWJWTOMCPJS-UHFFFAOYSA-N 339.439 2.755 0 50 EFAA Cc1cccnc1[C@@H](NC(=O)c1ccc2c(=O)n(C)cnc2c1)C1CC1 215661551 OXOSHKBDQMYNBX-SFHVURJKSA-N 348.406 2.518 0 50 EFAA CC1CCN(C[C@@H]2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)C2)CC1 246135508 MXNBSUGJMYJHOK-OKZBNKHCSA-N 337.508 2.707 0 50 EFAA CCc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82121984 BDXPHKBMPFRCBA-NRFANRHFSA-N 344.499 2.836 0 50 EFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3n[nH]c4ccccc34)CC2=O)cc1 82135082 WJBVQNHECSPJKG-AWEZNQCLSA-N 348.406 2.749 0 50 EFAA c1ccc2c(c1)CC[C@H](n1ccnc1)[C@H]2NCc1cnc2cnccn12 290331594 DUGXWABZVBSQSI-ICSRJNTNSA-N 344.422 2.944 0 50 EFAA 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COc1cccc([C@@H](C)N2CCN(C(=O)c3c(C)noc3C)CC2)c1 171589345 CJOLIICARKCNNR-CQSZACIVSA-N 343.427 2.819 0 50 EFAA Cn1c(C(=O)N2CCC[C@H]2Cn2ccnn2)c(Cl)c2ccccc21 671630380 HOKPWBABAIXWBF-LBPRGKRZSA-N 343.818 2.728 0 50 EFAA CCCc1nc(C)c(C(=O)N2CCn3c(nnc3C(F)F)C2)s1 408515380 BFYKIESPUJSYMJ-UHFFFAOYSA-N 341.387 2.589 0 50 EFAA COc1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)sn1 408525530 RPTBJXCROKFFAF-LLVKDONJSA-N 327.450 2.641 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCCc2ccsc2)cn1 408521009 FMSVPABJXTVBSV-CVEARBPZSA-N 333.457 2.791 0 50 EFAA O=C(NCc1nc2cccnc2[nH]1)[C@@H]1CCCCN1Cc1ccccc1 188749772 WVBIPHBMTOQKTG-KRWDZBQOSA-N 349.438 2.629 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2Cc3cnnn3Cc3ccccc32)c1C 189295614 XZTLTQQNXQOVAS-UHFFFAOYSA-N 349.394 2.634 0 50 EFAA NC(=O)c1cnc(NC(=O)c2ccncc2Oc2ccccc2)s1 225637783 FJJCTJVTNNLOGP-UHFFFAOYSA-N 340.364 2.682 0 50 EFAA O=C(c1c(O)cnc2ccc(F)cc12)N(C[C@H]1CCOC1)C1CC1 225802096 WGUHFNWXPWFJMT-LLVKDONJSA-N 330.359 2.721 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2CN2CCCC2)cn1 189717955 OHGJXMYSSRTWNG-PBHICJAKSA-N 331.464 2.946 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccnnc1 191273733 QDRXZMGQZJLVNJ-GFCCVEGCSA-N 337.210 2.792 0 50 EFAA O=C(Nc1cnns1)N1CCN(c2ccc(F)cc2Cl)CC1 192369308 URZIGYUFQULQRM-UHFFFAOYSA-N 341.799 2.685 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](C(=O)O)c3ccccc32)c1C 192960167 HTMUKPWZKNGLML-ZDUSSCGKSA-N 326.352 2.663 0 50 EFAA COc1ccc(C2CCN(C(=O)[C@@H](N)c3ccccc3C)CC2)nc1 653179174 ZTKJZVHCUOQFFX-IBGZPJMESA-N 339.439 2.805 0 50 EFAA Cc1cnccc1N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 195342045 YXCZELIVKHBGHP-CQSZACIVSA-N 338.411 2.590 0 50 EFAA Cc1cc([C@@H](NC(=O)c2ccc3c(c2)CCOC3)C(=O)O)ccc1F 659158132 WMDLEUNGZXMDDK-QGZVFWFLSA-N 343.354 2.763 0 50 EFAA Cc1noc(C)c1CO[C@H]1CCN(C[C@H](O)c2cccc(F)c2)C1 762639160 GSQNAVZAISXVPH-WMZOPIPTSA-N 334.391 2.755 0 50 EFAA COC[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(C)n[nH]c1C 1506402323 NEJWTAFAPYPMIU-CQSZACIVSA-N 329.444 2.941 0 50 EFAA CCCCN(Cc1ccsc1)C(=O)Cc1c(C)nc(O)nc1O 1506428294 OJAFBNKEOAZLAE-UHFFFAOYSA-N 335.429 2.629 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615735672 DZIWIQKZEQRXHJ-GJZGRUSLSA-N 345.468 2.957 0 50 EFAA C[C@@H](CCc1ccccc1)NC(=O)c1cnc2sccn2c1=O 12383457 QXAINZDITYHARP-LBPRGKRZSA-N 327.409 2.507 0 50 EFAA CC(C)CN1CCC([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 12430353 DTVFDXWIRVELJM-GOSISDBHSA-N 344.503 2.626 0 50 EFAA CC(=O)Nc1ccc(CN2CCC(CCC(=O)NC3CC3)CC2)cc1 12705368 BASMTBYCUNOINH-UHFFFAOYSA-N 343.471 2.916 0 50 EFAA COc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1OC 13669777 HWAGRTXGUAYNPA-GJZGRUSLSA-N 334.460 2.802 0 50 EFAA CN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCCC3)C2)s1 19853191 NFJUMPWYOVKCTM-LBPRGKRZSA-N 328.913 2.923 0 50 EFAA CSc1ncccc1C(=O)N1CCC[C@H]1c1ccc(C(N)=O)s1 19939360 DEDORRCZXHCTRJ-NSHDSACASA-N 347.465 2.941 0 50 EFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857666972 BLPIAKPHVLDHPV-XHDPSFHLSA-N 344.798 2.869 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 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JKOGJMNRGCLSJK-UHFFFAOYSA-N 339.443 2.995 0 50 EFAA CCc1nc2ccccn2c1C(=O)NC[C@@H]1NCCc2ccccc21 2325786563 XVKQNFRMVOAIKI-KRWDZBQOSA-N 334.423 2.514 0 50 EFAA O=C([C@H]1CCn2nncc2C1)N1CCC[C@@H](c2c[nH]c3ccccc23)C1 2325790965 AOTSDQSBMXFUHD-LSDHHAIUSA-N 349.438 2.728 0 50 EFAA O=S(=O)(NCCCCc1ccncc1)c1cccc2scnc12 2325803861 HEBRVVKXJYMNAO-UHFFFAOYSA-N 347.465 2.993 0 50 EFAA Cc1cc(=N[C@@H]2CCN(c3nc(C)c(C)c(O)n3)C2)c2ccccc2[nH]1 2325826889 PHQPQJIRZBXPAU-OAHLLOKOSA-N 349.438 2.768 0 50 EFAA CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 314696 SKGMCVQEHCCULT-UHFFFAOYSA-N 334.397 2.845 0 50 EFAA COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1OC 496478 KSDSZEORPBKYIX-UHFFFAOYSA-N 344.386 2.805 0 50 EFAA COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2C)cc1 615091 BIONLKOMHQLOFZ-UHFFFAOYSA-N 340.408 2.861 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc(O)cc2F)C1=O 2356136867 MVHLALXLWPDGFW-SFHVURJKSA-N 334.391 2.539 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1OC 2707856 NVFQRUKLVHWHDB-UHFFFAOYSA-N 340.423 2.975 0 50 EFAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)[C@@H]1CCCO1 4512076 KHOFZIRTILZMAP-INIZCTEOSA-N 336.347 2.973 0 50 EFAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1ccc(F)cc1 4968198 MENFOKJNWUDMGQ-UHFFFAOYSA-N 341.317 2.827 0 50 EFAA COCCC1(C(=O)Nc2cccc(-n3c(C)nnc3S)c2)CC1 134573325 PEAXNVWOMLNWJQ-UHFFFAOYSA-N 332.429 2.620 0 50 EFAA CCN(CCOc1ccc(OC)cc1)C(=O)c1cn2ccsc2n1 55393632 PATXTBRXNLLZLS-UHFFFAOYSA-N 345.424 2.946 0 50 EFAA COCCN1CC[C@@H](NC(=O)c2cccc3c2ccn3CC(C)C)C1 345927802 JLDCGOFPWGJFNW-MRXNPFEDSA-N 343.471 2.748 0 50 EFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(Cl)nc2ccccn12 248146440 RXOZXRBSIGEPES-QWHCGFSZSA-N 332.835 2.687 0 50 EFAA CCOC[C@@H](O)CNC(=O)c1ccc(CNc2ccc(C)cc2)cc1 55271877 MGPWMYVUONBRJF-IBGZPJMESA-N 342.439 2.734 0 50 EFAA Nc1cccc(C(=O)NC[C@@H]2CCN(Cc3cc(F)cc(F)c3)C2)c1 67723767 WEZXZGJBXFWHDS-ZDUSSCGKSA-N 345.393 2.799 0 50 EFAA CC(C)N1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO 22918669 QZVYNVCVELYHPT-SFHVURJKSA-N 334.508 2.734 0 50 EFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1 252512142 NEWRMJVSKGPCLM-IZDJOXEWSA-N 349.543 2.723 0 50 EFAA CCOC(=O)N1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229746223 BTXXLTUZWBYUBH-QWQRMKEZSA-N 337.464 2.685 0 50 EFAA CCc1ccc(CNCc2cccnc2N2CCC[C@@H](O)C2)cc1 11947841 JMINZLNRSMNIJI-LJQANCHMSA-N 325.456 2.895 0 50 EFAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1scnc1C 253397724 QKILQAPJRLDNKK-CQSZACIVSA-N 345.424 2.622 0 50 EFAA CCOC(=O)c1cnc2c(c(C)nn2C)c1N[C@@H]1CCOC(C)(C)C1 154542025 UKUMHBMLNARWTP-GFCCVEGCSA-N 346.431 2.823 0 50 EFAA Cc1ccc(OC2(C(=O)O)CCN(C/C=C/c3ccco3)CC2)cn1 72447364 WHKPHBNTYUCMOG-DUXPYHPUSA-N 342.395 2.994 0 50 EFAA C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCc1ccncc1 124477051 YSXIBZSXABZKEJ-GOEBONIOSA-N 347.459 2.918 0 50 EFAA CC[C@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1ccc(C)cn1 219779882 KEPUSTLMHDFXPI-HNNXBMFYSA-N 328.416 2.673 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)c1ccc2c(c1)SCC(=O)N2 368107824 HPMQNMPNTQVHNP-SNVBAGLBSA-N 343.408 2.625 0 50 EFAA COCc1ccc(C(=O)N2CCCN(Cc3cccs3)CC2)o1 77375191 IJUGKFORFMIQPD-UHFFFAOYSA-N 334.441 2.836 0 50 EFAA COC1(CO)CCN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 445113288 NMGVPFKEFHRQED-NSHDSACASA-N 344.814 2.723 0 50 EFAA CCCc1cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)n(C)n1 157117830 JSULEWKMYHGOON-OAHLLOKOSA-N 333.480 2.712 0 50 EFAA O=C1CCCN1CC1CCN(c2noc(-c3ccccc3)n2)CC1 77555105 LHMCSHPQXDBUNG-UHFFFAOYSA-N 326.400 2.575 0 50 EFAA C[C@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237572913 UZYBXWDAWYQHRU-WBMJQRKESA-N 329.421 2.965 0 50 EFAA COCCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(C)CC1 72156054 YSVDBOOQTAWJQG-INIZCTEOSA-N 333.476 2.890 0 50 EFAA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(C(=O)O)cc1)CC(=O)O2 217749335 LSXZZQZMFNTSNG-CYBMUJFWSA-N 326.304 2.734 0 50 EFAA biogenic Cn1cc([C@H](NC(=O)c2ccc(C(=O)O)cc2F)C(C)(C)C)cn1 262302719 AMVWHFQGULZYTE-AWEZNQCLSA-N 333.363 2.775 0 50 EFAA Cc1n[nH]cc1CNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 376643820 GAAHTMCIUBANLR-UHFFFAOYSA-N 327.775 2.759 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1c(O)ccc3ccccc13)CCNC2 72411886 RQFHCEINYMOCCP-UHFFFAOYSA-N 347.418 2.825 0 50 EFAA CC(=O)c1cc(CN2CCCN(C(=O)C(F)(F)F)CC2)cs1 215044615 HHNWRXXZNDXKKS-UHFFFAOYSA-N 334.363 2.547 0 50 EFAA C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)N(C)C 239667206 BPKLGHRNAYVLTL-DDTOSNHZSA-N 325.250 2.619 0 50 EFAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C[C@@H]1OCCc2ccccc21 241447011 NQLDGQAPWQSSDA-LZQZEXGQSA-N 328.456 2.776 0 50 EFAA O=C(NC1CCC(O)(c2ccccc2)CC1)[C@@H](O)Cc1ccccc1 241738553 QYLWNHHMLIIPNL-SCCNAQOGSA-N 339.435 2.537 0 50 EFAA O=C(CC[C@H]1CCOC1)Nc1nc2ccccc2nc1N1CCCC1 176608890 OYAZTVIPGDTUPG-AWEZNQCLSA-N 340.427 2.985 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@H](O)C[C@H]1c1cccc(F)c1 339437363 PALPMILLTLMTDN-HIFRSBDPSA-N 329.327 2.503 0 50 EFAA Fc1ccccc1-c1cc(NCCCn2cncn2)n2nccc2n1 72161962 KETQDRMZXJVYRE-UHFFFAOYSA-N 337.362 2.629 0 50 EFAA CC(C)Cn1cncc1CNc1nc(-c2ccncc2)nc2c1CNC2 72157990 HBZRGNGTIQZATN-UHFFFAOYSA-N 349.442 2.606 0 50 EFAA O=C1Nc2ccccc2NC12CCN(Cc1cccc3nonc13)CC2 82121605 NJBBZTVFXXCXMW-UHFFFAOYSA-N 349.394 2.622 0 50 EFAA CC(C)Cc1cc(C(=O)NCCNC(=O)c2ccccc2Cl)on1 91819350 JXTYLPLHDUCRFX-UHFFFAOYSA-N 349.818 2.686 0 50 EFAA O=C1N(CC2CC2)CCC[C@@]12CCN(CCOc1ccc(F)cc1)C2 91690294 OLOQOBVWJCBDGO-FQEVSTJZSA-N 346.446 2.929 0 50 EFAA COCC1(C(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)CCC1 97551221 SZEKQHWPXISLLY-LJQANCHMSA-N 344.499 2.874 0 50 EFAA O=S1(=O)CC[C@@H](n2nc(Cc3cccs3)nc2C2CCC2)C1 95352021 HUDDRCKREUXCTH-GFCCVEGCSA-N 337.470 2.558 0 50 EFAA CCN(Cc1ccncc1)C(=O)NCC[C@H]1COc2ccccc2O1 426362069 QHDXWQLXPNEISE-INIZCTEOSA-N 341.411 2.843 0 50 EFAA CCN1C[C@@H](C(=O)NCC2(c3ccccc3F)CCCC2)CC1=O 95361193 WVBJPFIGNPTVOI-AWEZNQCLSA-N 332.419 2.622 0 50 EFAA CCc1noc(CCNC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)n1 91907290 QEKHGWUBOVPJFH-UHFFFAOYSA-N 340.427 2.940 0 50 EFAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NS(C)(=O)=O)C1 91587515 CSSWVQAFYJHSRZ-CQSZACIVSA-N 337.420 2.574 0 50 EFAA OCC1(c2nc(C3CCOCC3)nn2-c2cccc3c2CCC3)CC1 97436843 NMPFMYKUZMARQF-UHFFFAOYSA-N 339.439 2.674 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl 267617089 KPPKBLBBNHQBHD-SFYZADRCSA-N 348.205 2.723 0 50 EFAA CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2ccccc2F)CC1 95531165 ZAMUMPQRXLVCCT-KRWDZBQOSA-N 336.407 2.578 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)NCc1csc(N(C)C)n1 91724784 SLKNTNIHRKNXCO-UHFFFAOYSA-N 335.477 2.554 0 50 EFAA C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)C[C@@H](C2CC2)O1 333176775 KSIIQBYYQOJXGH-PILAGYSTSA-N 345.443 2.511 0 50 EFAA N[C@@H]1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 237959179 XOQGRUCXVATGNY-DOTOQJQBSA-N 349.906 2.796 0 50 EFAA O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H]1C[C@@H]1Cc1ccccc1 268584751 UBMCECFXZBOOBF-ZWKOTPCHSA-N 332.407 2.693 0 50 EFAA CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1 248180436 YHXSICCRUGSVAE-IEBWSBKVSA-N 329.488 2.894 0 50 EFAA C[C@@H]1CN(C[C@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@@H](C)O1 244707956 KKRWOUUXIGLYBX-WRPWXNSMSA-N 325.493 2.688 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)no1 244691827 JJWJJHVOYCKBON-ZDUSSCGKSA-N 345.399 2.501 0 50 EFAA CC(C)(C)n1cc(NC(=O)N2CCSC3(CCOCC3)C2)cn1 184437076 PUABHPANDRCXFH-UHFFFAOYSA-N 338.477 2.768 0 50 EFAA CCN(Cc1nccn1C)C(=O)NCc1nn(CC)c2ccccc12 534643815 FOLWEUHLPMFNRM-UHFFFAOYSA-N 340.431 2.521 0 50 EFAA CCCc1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)nc(C)n1 534646638 FFRGNURDLLSCOK-QGZVFWFLSA-N 325.412 2.611 0 50 EFAA CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 284007016 PRMMOWCDECJOTQ-ZIAGYGMSSA-N 327.446 2.831 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@@H](c2nc3ccccc3o2)C1 299794887 LOZWXNCASOTOPM-GFCCVEGCSA-N 341.367 2.860 0 50 EFAA O=C(O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O 299765242 DFMXPQJABFGKBI-QGZVFWFLSA-N 335.787 2.754 0 50 EFAA CC[C@H](c1nc(Cc2ccc(OC)cc2)nn1CC)N1CCOCC1 822663320 OVDNJXODLAAYNI-QGZVFWFLSA-N 344.459 2.681 0 50 EFAA COCc1cc(CNC(=O)C[C@@H](c2ccccc2)c2ccco2)[nH]n1 824475178 JRSHPHQWXCLQFW-KRWDZBQOSA-N 339.395 2.988 0 50 EFAA COCCc1nc(Cc2c(C)noc2C)n(Cc2ccc(F)cc2)n1 670448403 BJTDJJZPQOKTDP-UHFFFAOYSA-N 344.390 2.850 0 50 EFAA C[C@@H]1C[C@H](CN(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CCO1 952884153 UJOWZVDGXMAQEG-JHJVBQTASA-N 346.397 2.650 0 50 EFAA O=C(O)C1(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CCCC1 1875270826 KRBVHMBUDRREHN-LBPRGKRZSA-N 345.317 2.500 0 50 EFAA COC(=O)C[C@@H]1CN(C(=O)c2cnc3c(F)cc(C)cc3c2)C[C@H]1C 1875296089 YHZDEIUPRQJKJJ-IUODEOHRSA-N 344.386 2.954 0 50 EFAA CSc1ccc(NC(=O)c2ccc(C3(CN)CCC3)nc2)nc1 1875277057 BGAWALZUMLFMMV-UHFFFAOYSA-N 328.441 2.831 0 50 EFAA O=S(=O)(NCc1cccc2nsnc12)[C@H]1C[C@@H]1c1ccccc1 1875362890 XWZLLFUEMUFVDK-HIFRSBDPSA-N 345.449 2.667 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2cccc(Oc3ccccn3)c2)cn1 1875381206 NLQBWENQAQJVSF-QMHKHESXSA-N 336.395 2.871 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)Cn1cccn1 952860364 NJMRTZCUYAOTSK-OAHLLOKOSA-N 340.427 2.702 0 50 EFAA O=C(N[C@]1(c2ncc[nH]2)CCOC1)c1cc(F)c(Cl)cc1Cl 886093462 VNSZPFMDZOAFET-CQSZACIVSA-N 344.173 2.901 0 50 EFAA CN1C(=O)C[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1ccncc1 886080308 VNQFCDSKUQXDBC-RXVVDRJESA-N 349.434 2.667 0 50 EFAA C[C@](O)(CNc1nc(C2CCOCC2)ns1)c1cccc(F)c1 895744909 YWAMSDJWCSEEQC-INIZCTEOSA-N 337.420 2.891 0 50 EFAA CCc1c[nH]c2ncnc(N3CCC[C@H](Cc4nc(C)no4)C3)c12 896845531 AUNHHPCCLQISEV-GFCCVEGCSA-N 326.404 2.671 0 50 EFAA C[C@@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCn1cccn1 1775992443 SMVYXDOXPMPDGA-HOTGVXAUSA-N 336.480 2.898 0 50 EFAA O=C1NC[C@H](c2nc(C[C@H]3COc4ccccc43)no2)c2ccccc21 897086809 MGSOIRQGMJWRRW-LRDDRELGSA-N 347.374 2.664 0 50 EFAA CC[C@H](C)CCc1nc(-c2cnn(CCO)c2Br)no1 1776005811 JTJRBGXRCKFUSF-VIFPVBQESA-N 343.225 2.667 0 50 EFAA CSCCCNC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1346347586 VABTXZMZGISRLH-NEPJUHHUSA-N 344.431 2.766 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C 187250038 WQXQQXRDDNEJOI-HIFRSBDPSA-N 343.431 2.530 0 50 EFAA CC1(C)C[C@@H](NC(=O)[C@@H](CN2CCCC2)c2ccccc2)CCO1 408518114 UWQGKQFKRYAHHO-ROUUACIJSA-N 330.472 2.940 0 50 EFAA C[C@@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)NCc1ccccc1 170597824 PWTPWZMFEXOCNP-CYBMUJFWSA-N 341.411 2.767 0 50 EFAA NC(=O)N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 170608155 UMPNGGXIBZZWMO-JTQLQIEISA-N 337.177 2.715 0 50 EFAA CCO[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC[C@H](C)C2)C12CCCC2 170637336 HNNCPYNNTCPSON-HRCADAONSA-N 344.521 2.633 0 50 EFAA Cc1nnc2ccc(C(=O)NC[C@H]3CCC4(CCCCC4)O3)cn12 170611591 BBAJAKPUPKOKSD-OAHLLOKOSA-N 328.416 2.649 0 50 EFAA Cc1ccc([C@@H](NC(=O)c2ccc(C)n2C)[C@@H](C)S(C)(=O)=O)cc1 280998612 NRFYBNFHXIJTRP-PBHICJAKSA-N 348.468 2.546 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2nc3ccccc3s2)C1 190041324 WMEUXZICKLYRTH-ZYHUDNBSSA-N 344.396 2.590 0 50 EFAA CCN(CC(=O)O)C1CCN(C(=O)c2scc(C)c2Cl)CC1 647236994 OBCCJCKFTCOHGO-UHFFFAOYSA-N 344.864 2.721 0 50 EFAA O=C1[C@H](N[C@@H](CCO)c2ccco2)CCCN1c1ccccc1F 192788084 BNMQCYKVKFCWQO-LSDHHAIUSA-N 332.375 2.627 0 50 EFAA Cc1c(Cl)cccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 194580205 GBCLTAQIJAHWKI-UHFFFAOYSA-N 346.862 2.730 0 50 EFAA CCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12 194748808 GPIIFHFJMDXGIF-CQSZACIVSA-N 348.468 2.895 0 50 EFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCCNC(=O)C1CC1 195530129 GWUSZMXRRDHYES-SPYBWZPUSA-N 344.455 2.670 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1cccc(F)c1 799040770 WXCLDKGYPNPYSF-QCLZDXNDSA-N 333.403 2.617 0 50 EFAA N[C@H]1CC[C@@H](C(=O)Nc2ccccc2OCCc2ccccn2)C1 215169900 IGARFGYKZLXMQS-CABCVRRESA-N 325.412 2.769 0 50 EFAA O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1 446117 XYBCMZZRRSHDFP-LFIBNONCSA-N 328.437 2.809 0 50 EFAA COc1cnc(N2CCC3(CC2)OCCc2cccc(OC)c23)nc1 1704327796 JSIRBPIOAAOPHW-UHFFFAOYSA-N 341.411 2.562 0 50 EFAA CC(C)c1ncc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cn1 1772804041 DJOWNRUMQCTFFP-UHFFFAOYSA-N 333.395 2.739 0 50 EFAA COc1nc(NC2CCN(CCc3ccccc3)CC2)ncc1F 1772702885 BBSMBFRQLQGPLN-UHFFFAOYSA-N 330.407 2.743 0 50 EFAA O=C(Cc1cccs1)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772702629 DEVUZMGLTHPZKR-PXNSSMCTSA-N 340.492 2.971 0 50 EFAA Cc1ccc(N2CCN(C[C@@H](O)COC3CCCCC3)CC2)cc1 19878536 UXUFAUJVKULPJG-LJQANCHMSA-N 332.488 2.827 0 50 EFAA Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCC(c3nnc(O)o3)CC2)c1 1857528825 WJKHFLDWOUVPJV-CABCVRRESA-N 327.384 2.593 0 50 EFAA CC[C@H](C)c1nc(C)cc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)n1 1857531704 MNVMUJSUTCKLPA-XOBRGWDASA-N 338.455 2.932 0 50 EFAA CCc1ocnc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532655 MQDSAXGNDJFFBR-KPZWWZAWSA-N 342.399 2.691 0 50 EFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cccc2nonc12 1857677579 ILZACXLBGNEHJH-JCKWVBRZSA-N 329.400 2.919 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)CCO1 237686629 XIZHAMTVEBVYCC-QGZVFWFLSA-N 325.364 2.907 0 50 EFAA CN[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C1 133535847 RFNBDTXHAUNDAS-CQSZACIVSA-N 332.835 2.658 0 50 EFAA COc1cccc2c1CCCCN2C(=O)c1ccc(S(C)(=O)=O)o1 677167811 HUMBMJAOAZACPL-UHFFFAOYSA-N 349.408 2.675 0 50 EFAA O=C(O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC12CC2 263103364 CYROBQURCXPRCT-LBPRGKRZSA-N 338.201 2.662 0 50 EFAA CC(C)Cn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)n1 902016141 KQZVNJXPWAFOFV-GOEBONIOSA-N 327.384 2.582 0 50 EFAA Cn1nc(C2CC2)nc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 903033206 QVXGTTMZEPRZJD-UMSPYCQHSA-N 332.354 2.647 0 50 EFAA Cn1cc(C2=CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)cn1 907365442 HYYPZIJYXJOXQU-UHFFFAOYSA-N 343.861 2.613 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCCCC[C@@H]1c1cccn1C 929701446 BOSZWQOZILXCIQ-OAHLLOKOSA-N 329.400 2.892 0 50 EFAA COc1ccc(-c2noc(C(=O)NC3CCCCC3)n2)cc1OC 4721671 ZZKUYEWNBBMYAI-UHFFFAOYSA-N 331.372 2.816 0 50 EFAA CC1(C)CN(c2ncnc3[nH]c4ccccc4c23)C[C@H](CC(=O)O)O1 2325790520 RSIOYFDJMJLVBY-NSHDSACASA-N 340.383 2.570 0 50 EFAA Cc1cc(C2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)C2)no1 2325791310 NEGZRQYUIFRQJU-LJQANCHMSA-N 339.439 2.964 0 50 EFAA Cn1cnnc1[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2ccco2)cs1 2325805758 SHKWXOPTSNOTQU-ZJUUUORDSA-N 329.385 2.664 0 50 EFAA Cn1cc2ccc(-c3cc(F)c4[nH]cc(C(=O)O)c(=O)c4c3)cc2n1 2325877155 KUXMRFDUBHJYFA-UHFFFAOYSA-N 337.310 2.919 0 50 EFAA CCN(CC)C(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246939170 ZEPFDDBDHLXOQY-GJZGRUSLSA-N 344.377 2.682 0 50 EFAA COC(=O)c1sccc1NC(=O)c1cc2ccccc2oc1=O 432945 QEZPWIIYPYZYGN-UHFFFAOYSA-N 329.333 2.893 0 50 EFAA CCCN1CC[C@H](CNC(=O)N[C@H](C)[C@@H]2COc3ccccc32)C1 247057288 VJNOFUDPMBRBPJ-INMHGKMJSA-N 331.460 2.582 0 50 EFAA COc1cc(OC)cc(C(=O)NCCc2nc3ccccc3[nH]2)c1 2615800 ILHZSUGVFUGXAS-UHFFFAOYSA-N 325.368 2.553 0 50 EFAA O=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1 2866815 JXBKDGLNWPDLRF-UHFFFAOYSA-N 328.290 2.573 0 50 EFAA COc1cc(NC(=O)c2csnn2)ccc1NC(=O)C(C)(C)C 55327032 YKASPLAONCYSCV-UHFFFAOYSA-N 334.401 2.784 0 50 EFAA Cc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1 55564346 IFDNVLKWZOADOB-UHFFFAOYSA-N 327.403 2.895 0 50 EFAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)c12 114409558 YSWCGXBSQDILBK-GFCCVEGCSA-N 339.399 2.665 0 50 EFAA Cc1nc(N(C)Cc2ccccc2CN(C)C)c2nc(C)oc2n1 55120053 AYIJZRHXNAVHMB-UHFFFAOYSA-N 325.416 2.933 0 50 EFAA CCn1cc(Cl)c(-c2nnc(S)n2-c2cnn(CC)c2C)n1 2803160 SIONMPIDWZRNOV-UHFFFAOYSA-N 337.840 2.618 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1F 348262588 RDVNPYQBCYBWIP-DOTOQJQBSA-N 347.361 2.850 0 50 EFAA CC(=O)Nc1ccc(-c2nc(C)nn2-c2ccc3c(c2)OCO3)cc1 65470174 GLHBQRDPMHPJNS-UHFFFAOYSA-N 336.351 2.930 0 50 EFAA CC(C)Cc1noc([C@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1 65502763 UUFOCGFQPZQFGE-ZDUSSCGKSA-N 344.415 2.741 0 50 EFAA CC(C)N1CCC[C@@H](CCNC(=O)Cc2noc3ccccc23)C1 67542230 WBDKNRVVKXZKDX-HNNXBMFYSA-N 329.444 2.997 0 50 EFAA CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1OCCc2ccccc21 136828251 BQQLJEPHAYQDFX-FQEVSTJZSA-N 338.451 2.891 0 50 EFAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1OCCc2ccccc21 137001095 BRONVAXDUFEQMY-HXUWFJFHSA-N 347.418 2.862 0 50 EFAA COc1ccc(O)cc1CN1CCC[C@H](CNC(=O)C2CCC2)C1 67473082 AHKWVQATKNQEOT-CQSZACIVSA-N 332.444 2.529 0 50 EFAA O=P(O)(O)O[C@@H]1C=Nc2ccc(Br)c(Cl)c21 409420682 UBURCTDECCGOTF-ZCFIWIBFSA-N 326.470 2.969 0 50 EFAA CCN(CC)Cc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 61722202 PXCOHHQQQVEAOI-UHFFFAOYSA-N 330.461 2.761 0 50 EFAA O=C(Nc1ccn(Cc2ccccc2)n1)N[C@@H]1CCN2CCCC[C@@H]12 229214429 PDGGARBNGBMUIH-SJORKVTESA-N 339.443 2.680 0 50 EFAA O=C(c1ccc(O)nn1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67821878 MFCOIMMJJWDRDD-CQSZACIVSA-N 349.394 2.592 0 50 EFAA CN1CCC(Cc2noc(-c3n[nH]c(N)c3-c3ccccc3)n2)CC1 67856290 JVCCLBNSWDKMKS-UHFFFAOYSA-N 338.415 2.593 0 50 EFAA Cc1cc(F)ccc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 229686720 JOCOSPLPXADONE-OCCSQVGLSA-N 328.453 2.533 0 50 EFAA CCCN(Cc1ccc(SC)cc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 20536751 KGAVNQUIMKXHLN-OAHLLOKOSA-N 349.500 2.938 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)COc2ccccc2)s1 23581978 OZNCPKSJLUIXAT-CQSZACIVSA-N 344.436 2.850 0 50 EFAA CN(CCCC1CCCC1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1 67755969 XCFZLNHQWYZSMK-MRXNPFEDSA-N 349.475 2.674 0 50 EFAA CNC(=O)c1ccn([C@H]2CCCN(Cc3csc(C(C)C)n3)C2)n1 328625738 DLVYIRXICWCEBP-AWEZNQCLSA-N 347.488 2.660 0 50 EFAA Cc1ccccc1-c1noc(CCC(=O)N2CCC[C@@H](CCN)C2)n1 65372220 SZLZBNDSXXMAOF-HNNXBMFYSA-N 342.443 2.565 0 50 EFAA Cc1ncc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)s1 328632977 LRCMYTWRCLTZTC-WMLDXEAASA-N 333.505 2.700 0 50 EFAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1/C=C/c1ccccc1 329397956 WTQZZTZSMRIZRF-PIIXRYACSA-N 333.453 2.516 0 50 EFAA Cc1cc(C(=O)Nc2ncn(C3CCCCC3)n2)nn1[C@H](C)C1CC1 329566712 OYLJSVCXRCRZJT-CYBMUJFWSA-N 342.447 3.512 0 50 EFAA CC1(C)CN(C(=O)c2cccc(C(=O)N3CCCC3)n2)[C@H]1C1CC1 329537852 BTRLXVASTSUQFE-INIZCTEOSA-N 327.428 2.578 0 50 EFAA CC[C@@H]1C[C@H](CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CCO1 330782209 GVKZTROABASYCP-MWDXBVQZSA-N 340.508 2.586 0 50 EFAA Cc1ccc2c(CN3CCNC(=O)[C@@H]3c3ccccc3)cc(=O)oc2c1 156140010 ZEUFQTVSZWCHQK-FQEVSTJZSA-N 348.402 2.775 0 50 EFAA O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@](O)(C2CC2)C1 373252209 ZUQOMGLURMZSTR-OAQYLSRUSA-N 335.403 2.905 0 50 EFAA O=C(O)c1ccc2c(c1)CN(C(=O)CCC(=O)c1ccccc1)CC2 262241483 UMBGIPDCDFLOBK-UHFFFAOYSA-N 337.375 2.933 0 50 EFAA C[C@@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCOCC1 77285945 PXSHZLDGQRCJGM-HNNXBMFYSA-N 342.443 2.674 0 50 EFAA CC[C@H](C)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71498640 LBXPBLYXWZOBNL-LBPRGKRZSA-N 345.443 2.651 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C(=O)O)c1ccc(Cl)cc1 263125050 FFMZAUJQGMPYKV-BJOHPYRUSA-N 349.818 2.736 0 50 EFAA Cc1nc(CC(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)cs1 72171701 JWKIMHVUHUBBEB-GFCCVEGCSA-N 330.409 2.708 0 50 EFAA COCCN1CCC(CN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 71662392 NDAAQYGVSSDETG-LJQANCHMSA-N 336.451 2.557 0 50 EFAA Cc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 48309260 DAQYHWYKIBGPTL-UHFFFAOYSA-N 344.480 2.722 0 50 EFAA Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C 176281382 IJJYOVOROGMEQO-BLLLJJGKSA-N 345.447 2.602 0 50 EFAA Cc1ccn2cc(CNC(=O)c3nc4ccc(C)cn4c3F)nc2c1 426662415 YDLZQKWMUIRQEE-UHFFFAOYSA-N 337.358 2.668 0 50 EFAA Cn1c(CCCNc2cc(C3CC(N)C3)ncn2)nc2ccccc21 223760839 ATFGCXSZLNOCNB-UHFFFAOYSA-N 336.443 2.613 0 50 EFAA Cc1cccc(OCCCN(C)C(=O)NC[C@@H]2CCCN(C)C2)c1 426477235 PHRXODJVLUZPQF-KRWDZBQOSA-N 333.476 2.747 0 50 EFAA COc1cccc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)c1 426545095 OQMRSZWZPNSNGL-KRWDZBQOSA-N 326.396 2.611 0 50 EFAA COCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)o1 82086683 JXSRZOOHGGFPOU-UHFFFAOYSA-N 348.786 2.568 0 50 EFAA CC(C)Nc1cc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)ncn1 426388426 QHRDRWWMSOVTDB-MRXNPFEDSA-N 340.427 2.873 0 50 EFAA CC(=O)c1ccn(CC(=O)Nc2cc(C)nn2C2CCCCC2)n1 48121696 UIJZGIRRZAAZCY-UHFFFAOYSA-N 329.404 2.735 0 50 EFAA COc1ccc(Cn2cc(-c3ccc(-n4ccnc4)nn3)cn2)cc1 426634150 IGMBAMYKASNLMQ-UHFFFAOYSA-N 332.367 2.583 0 50 EFAA C[C@H]1CNC(=O)CCN1C(=O)Nc1cc(C(F)(F)F)ccc1F 96149385 LZEXRLIQSVBCOP-QMMMGPOBSA-N 333.285 2.587 0 50 EFAA Cc1nn(C)cc1CN(C)C(=O)c1cc(CCc2ccccc2)no1 20910912 CGDRQAWNSAWBLD-UHFFFAOYSA-N 338.411 2.774 0 50 EFAA O=C([C@H]1CCNC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 97610037 LDSSXQJCLAVNKR-KRWDZBQOSA-N 343.858 2.916 0 50 EFAA CCCn1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(C)n1 91595868 RQDORTHWRRUMTA-LBPRGKRZSA-N 340.387 2.538 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc2c([nH]1)CCCNC2=O 95378615 RWOGUCOCTKCTEI-UHFFFAOYSA-N 339.374 2.694 0 50 EFAA CCCc1cc(C(=O)Nc2cccc(CSCC(=O)O)c2)[nH]n1 236906859 NPXFLTYYBYCESM-UHFFFAOYSA-N 333.413 2.932 0 50 EFAA O=C(Cn1ccnc1-c1ccccc1)NCCCn1nccc1C1CC1 95511107 SMOJIPNVQFGXQV-UHFFFAOYSA-N 349.438 2.831 0 50 EFAA Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95363596 ZLXATKPCHRJUBP-INIZCTEOSA-N 341.459 2.745 0 50 EFAA CCN1CC2(CCN(C(=O)OC)CC2)C[C@H](c2ccccc2)C1=O 91636353 UHUIKDIQQQMDTA-MRXNPFEDSA-N 330.428 2.871 0 50 EFAA Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12 95518600 ZDWPUIBQGSCIFR-CQSZACIVSA-N 327.457 2.831 0 50 EFAA C[C@@H]1CN(C(=O)NCc2sccc2Br)[C@H](C)CO1 182525820 OORBRYSVRCFCDS-RKDXNWHRSA-N 333.251 2.829 0 50 EFAA O=C(O)c1cccc([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)c1 95368538 UMHWFXNIXXPVLH-KRWDZBQOSA-N 341.411 2.768 0 50 EFAA COc1cccc2c1OC[C@@H](C(=O)NCCOc1ccc(F)cc1)C2 95386574 YEKYTFLKDMLFCK-AWEZNQCLSA-N 345.370 2.581 0 50 EFAA Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)n1 95529775 IWIKEWNTMMJVJG-GOSISDBHSA-N 340.471 2.745 0 50 EFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1cccc2ccccc12 244882542 XTSQBPYKRQYRGP-KURKYZTESA-N 337.423 2.568 0 50 EFAA CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC2(O)CCCCC2)c1 864087306 RNNFPJFKFNCEEQ-UHFFFAOYSA-N 346.832 2.596 0 50 EFAA Cc1cc([C@@H]2CCCN2CCN2CCN(c3ccccc3)CC2)no1 244866635 VZOPWASDKUNFMO-FQEVSTJZSA-N 340.471 2.942 0 50 EFAA CSCC[C@H](CO)NC(=O)CCn1ccc2ccc(Cl)cc21 252479531 BHDZKFQDVSYWHS-CQSZACIVSA-N 340.876 2.915 0 50 EFAA CC(C)n1ccc2c(OCC(=O)NCCn3ccnc3)cccc21 253400753 FDTLCKRDMGJFFA-UHFFFAOYSA-N 326.400 2.614 0 50 EFAA Cc1ccc(NC(=O)CCN2CCN(C(=O)C3CCC3)CC2)cc1C 252493422 NBSYIXVARUJKMX-UHFFFAOYSA-N 343.471 2.576 0 50 EFAA Cn1ccc2c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cccc21 252536055 HMZLDPQGTVUTJW-PJIJBLCYSA-N 335.407 2.815 0 50 EFAA CC(C)c1noc([C@H](C)NC(=O)CN(C)Cc2ccc(F)cc2)n1 299762685 WKOYTCDNUPHIOU-LBPRGKRZSA-N 334.395 2.641 0 50 EFAA CC(=O)c1cc(CC(=O)NCCc2nc3c(s2)CCC3)cs1 299775843 LELGXMYGZYNFCX-UHFFFAOYSA-N 334.466 2.797 0 50 EFAA O=C(CCc1cccc(F)c1)N[C@H]1CCCN(Cc2cccnc2)C1 299754907 BYNMMFLDPPYJFD-IBGZPJMESA-N 341.430 2.934 0 50 EFAA O=C(NCC1CCN(C2CCCC2)CC1)c1cnc(O)c(Cl)c1 828198223 SZAWMVFYVTURGB-UHFFFAOYSA-N 337.851 2.825 0 50 EFAA O=C(NC[C@@H](O)Cc1ccccc1)C1(N2CCCC2)CCCCC1 828594364 HWDIQIIYQLVESC-SFHVURJKSA-N 330.472 2.505 0 50 EFAA COc1ccc(C[C@H](N)C(=O)Nc2cc(Cl)ccc2N(C)C)cc1 824673635 FOTZYOIELATJRW-HNNXBMFYSA-N 347.846 2.923 0 50 EFAA Cc1cnc(CN(C)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)[nH]1 584889896 WWWGVGGWWWHLRS-CQSZACIVSA-N 345.422 2.525 0 50 EFAA COc1cc(C(=O)NC2CCN(c3cccc(C)c3)CC2)ccn1 670441109 XTWWYALKEJOGTO-UHFFFAOYSA-N 325.412 2.797 0 50 EFAA COc1ccccc1Cc1nc([C@@H]2CCOC2)n(CC(F)(F)F)n1 670461382 KRZVTAAZNXKHSP-GFCCVEGCSA-N 341.333 2.944 0 50 EFAA COc1nscc1CN(C)Cc1ccc(-n2cncn2)c(F)c1 952995334 IYFCZPZRPSHJOY-UHFFFAOYSA-N 333.392 2.504 0 50 EFAA COC1(c2noc(-c3cnc4cc(O)ccc4c3)n2)CCOCC1 1875276334 IKDDOOVVXXEWIU-UHFFFAOYSA-N 327.340 2.643 0 50 EFAA O[C@@H](CF)c1ccc(-c2noc([C@@H]3CCCc4cncn43)n2)cc1 1875320988 PXYUMILMUFWQMZ-GJZGRUSLSA-N 328.347 2.862 0 50 EFAA Cc1cccc(Nc2nnc(SCN(C)S(C)(=O)=O)s2)c1 270552681 BSFFDQKWZCQRGT-UHFFFAOYSA-N 344.487 2.531 0 50 EFAA O=C(N[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1)c1ccc(Cl)cc1 887745100 RMEZSPAFXIELPS-OAHLLOKOSA-N 331.803 2.703 0 50 EFAA CC(C)Oc1cncc(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)n1 899218296 XCRGQPONUFYIAU-GFCCVEGCSA-N 340.383 2.718 0 50 EFAA COCC1(S(=O)(=O)N2CCC[C@H]2c2cccc(OC)c2)CCC1 1363755996 IALJVGCKMKVYPH-INIZCTEOSA-N 339.457 2.731 0 50 EFAA C[C@H](NC(=O)[C@H](C)n1nnnc1C(C)(C)C)c1ccc(F)cc1F 272189054 FHOKCUXSFDVZDE-UWVGGRQHSA-N 337.374 2.687 0 50 EFAA C[C@H]1CN(C(=O)c2c3c(nn2C)CCCC3)[C@@H](c2ccccc2)CO1 675814114 ZCXKRSIWLFWZPE-KBXCAEBGSA-N 339.439 2.901 0 50 EFAA CSc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)N(C)C)C2 1073294828 RFRGFVUSCVZDPB-KGLIPLIRSA-N 347.484 2.627 0 50 EFAA CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)nnn3C)cc1 632108547 RDOOWRYIWWLOMF-UHFFFAOYSA-N 344.440 2.917 0 50 EFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C2(O)CCCCC2)CC1 276132619 YLNIDFFSUGZSCP-SFHVURJKSA-N 345.487 2.590 0 50 EFAA O=S1(=O)CCC(CN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 170076474 VTBBYZMIPNKYJS-GOSISDBHSA-N 348.443 2.725 0 50 EFAA O=C(c1c(O)cnc2ccccc12)N1CCn2c1nc1ccccc12 170596050 OPWMPEDTOUMEAP-UHFFFAOYSA-N 330.347 2.951 0 50 EFAA Cc1ccccc1OCCCNC(=O)c1cnoc1-c1cnn(C)c1 170619333 HDFDEBAXJLMFFU-UHFFFAOYSA-N 340.383 2.582 0 50 EFAA C[C@@H]1CN(c2nc(Cl)c(C(F)(F)F)cc2Cl)C[C@H]1C(N)=O 408524166 QWYSGLZCRWIGFC-PHDIDXHHSA-N 342.148 2.965 0 50 EFAA Cc1cn2c(CN[C@@H]3CCO[C@H](c4cncn4C)C3)c(C)nc2s1 681916179 YDNFTFIYZFAXIT-CJNGLKHVSA-N 345.472 2.756 0 50 EFAA CCOc1cc(CN2CCOC3(CCOCC3)C2)cc(Cl)c1O 225422147 MYOVTAMKGXANOZ-UHFFFAOYSA-N 341.835 2.826 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c(C)o1 225550309 DRESCQGCRMLAHT-CABCVRRESA-N 339.388 2.532 0 50 EFAA COc1cccc(C2(C(=O)N3CCOC(F)(F)C3)CCCC2)c1 647837532 KBPDMIMNQPWHCL-UHFFFAOYSA-N 325.355 2.959 0 50 EFAA CC(=O)c1cc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)ccc1C 194031279 MNDNBNHCWRZRCW-HNNXBMFYSA-N 341.411 2.984 0 50 EFAA O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCOC[C@@]12CCOC2 194382451 PVAIXTKURJYMCI-KRWDZBQOSA-N 348.786 2.627 0 50 EFAA Cc1cnc(OC2CCN([C@@H](C(=O)O)c3ccsc3)CC2)nc1 656190902 IKATYDGFBZYXKR-CQSZACIVSA-N 333.413 2.516 0 50 EFAA Cc1ccc(CN(C(=O)c2cccc(-n3cnnc3)n2)C2CC2)s1 1506408129 BTDGSPDOJPCEAV-UHFFFAOYSA-N 339.424 2.837 0 50 EFAA CCc1nn(C)c(NC(=O)CCc2ccc3c(c2)OCO3)c1CC 1506415806 CXBXMHPNOMLHPJ-UHFFFAOYSA-N 329.400 2.845 0 50 EFAA CO[C@@H]1C[C@H](C(=O)NCCc2cccc(C(F)(F)F)c2)CC[C@@H]1O 1704313626 KKTNNFVIXBLGGG-VHDGCEQUSA-N 345.361 2.540 0 50 EFAA O=C(C[C@H]1CN(c2ccccc2)NC1=O)Nc1ccc(Cl)c(F)c1 1740818258 QNDZINQSJWAQGW-NSHDSACASA-N 347.777 2.975 0 50 EFAA O=C(Cc1ccccc1C(F)(F)F)NCc1[nH]nc2ncccc12 1772819924 XPQXIIRSPARVDE-UHFFFAOYSA-N 334.301 2.836 0 50 EFAA c1ccc(SCc2nc(C3CCOCC3)nn2[C@@H]2CCOC2)nc1 1772819151 GAFYORSRGCOFJL-CQSZACIVSA-N 346.456 2.821 0 50 EFAA O=C(O)C[C@@H](NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 5063149 ZNUPUOVZUKLWDV-OAHLLOKOSA-N 332.787 2.912 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](C3CCN(CC(C)C)CC3)C2)n(C)n1 15076352 PURVFHWXNLAEEE-QGZVFWFLSA-N 332.492 2.559 0 50 EFAA Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1 18086052 SZOPRAYQMXOLOM-UHFFFAOYSA-N 325.401 2.588 0 50 EFAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1cccnc1 169755710 KVSAABGRYWQVQB-CYBMUJFWSA-N 339.424 2.542 0 50 EFAA COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1 5549941 QAQLWSZEGAVSBN-VAWYXSNFSA-N 340.404 3.000 0 50 EFAA CCn1c(O)nc2cc(C(=O)N(C)CCc3nc(C)cs3)ccc21 1857527578 QQDRGAJAVPMAPW-UHFFFAOYSA-N 344.440 2.841 0 50 EFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cc(-c2ccccc2F)[nH]n1 1857529707 ZPEZLOTWQLSONX-XYPYZODXSA-N 331.347 2.589 0 50 EFAA O=C(c1ccoc1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857672518 DXESFINDFXAMEJ-FRQCXROJSA-N 325.364 2.970 0 50 EFAA Cc1ncccc1Oc1ncnc(N2CC[C@@H]3NCCC[C@@H]3C2)c1C 1857677086 WUALUYJVRHQPGB-CVEARBPZSA-N 339.443 2.859 0 50 EFAA CN(Cc1cccc2cccnc12)[C@@H]1CCOC2(CCNCC2)C1 1857677439 BUBKDYMUUAYQOT-GOSISDBHSA-N 325.456 2.968 0 50 EFAA Cc1cc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c2cc(F)ccc2n1 1857711921 IPYUILHMAOYLAS-BFUOFWGJSA-N 340.402 2.754 0 50 EFAA Cc1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n(C)n1 418039178 TVJUZSXLZWNZHE-NSHDSACASA-N 327.354 2.850 0 50 EFAA CCc1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cs1 253606629 ZVHZBRBFKPVAFD-ZBFHGGJFSA-N 333.501 2.928 0 50 EFAA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)C1 378219291 SWHUURMMFZBLMM-XJKSGUPXSA-N 336.382 2.887 0 50 EFAA O=C(NC[C@@H](O)CCc1ccccc1)c1coc(Br)c1 390834295 VXNKFGXGRHNRJR-ZDUSSCGKSA-N 338.201 2.766 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N1CCC(Cc2ccccc2Cl)CC1 902479767 REKPWGYTYPYSTH-KRWDZBQOSA-N 339.819 2.611 0 50 EFAA CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1c[nH]c2cc(F)ccc12 928734607 XERBFAVOICOWQT-OAHLLOKOSA-N 331.391 2.826 0 50 EFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn1 930975563 IVXUZHKFMGXVJI-CYBMUJFWSA-N 342.447 2.999 0 50 EFAA CCn1nc(C)c(CN2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)n1 931386341 QHBRKTCBHXFEEZ-GOSISDBHSA-N 340.406 2.616 0 50 EFAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@@H]2c2ccnn2C)n1 935793509 FMYKTDGUKWBAHI-QGZVFWFLSA-N 329.448 2.767 0 50 EFAA CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl 13608498 SESBKUBHSBNBDL-VXGBXAGGSA-N 338.256 2.917 0 50 EFAA Cc1oc(-c2ccccc2)nc1CC(=O)N=c1[nH]oc2ncccc12 2100477613 CQJFKHVJZFCEGH-UHFFFAOYSA-N 334.335 2.789 0 50 EFAA CC(C)(N)Cc1cn(Cc2cn3cc(Cl)cc(Cl)c3n2)nn1 2325772639 JBBNKTXUCWXNRZ-UHFFFAOYSA-N 339.230 2.561 0 50 EFAA O[C@]1(c2cc[nH]n2)CCN(Cc2cc(C(F)(F)F)ccc2F)C1 2325775504 ABZSIXVKMRUCNL-CQSZACIVSA-N 329.297 2.661 0 50 EFAA O=C(NCc1noc2ccccc12)c1ccc2n1CCNC21CCC1 2325800808 GQNJCTNIAFZMTL-UHFFFAOYSA-N 336.395 2.542 0 50 EFAA O=C1NCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21 2325886148 YDVFKKIYGVLNGT-UHFFFAOYSA-N 334.422 2.670 0 50 EFAA O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccco1 425038 LOBLIRJGEHWKHR-UHFFFAOYSA-N 343.408 2.749 0 50 EFAA O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@H]1CCCO1 1065966 LCIZNURUWMASGP-MRXNPFEDSA-N 342.395 2.733 0 50 EFAA Cn1c(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 2855620 XGLZRRRLAAKBBY-UHFFFAOYSA-N 349.312 2.998 0 50 EFAA Cc1ccc(C2=CC(c3ccccc3)=N/C(=C(\C#N)C(N)=O)N2)cc1 2865167 DFBXVPIXOUOSBR-SILNSSARSA-N 328.375 2.649 0 50 EFAA CN(C)CCN(Cc1ccsc1)Cc1ccccc1OCCO 55387261 ZHXZVAAJDTXEPB-UHFFFAOYSA-N 334.485 2.683 0 50 EFAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1(C)C 135274642 YBVIUSPPQORURS-INMHGKMJSA-N 328.460 2.800 0 50 EFAA Cc1cccc(C)c1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101578407 KOUWZUXRRAUPNR-GJZGRUSLSA-N 326.396 2.583 0 50 EFAA C[C@@H]1CCCN(CCC(=O)N(C)Cc2ccccc2-n2cccn2)C1 20536747 MBYXCJGZRPAVRH-QGZVFWFLSA-N 340.471 2.953 0 50 EFAA c1ccc(OCCNc2nc(-c3ccncc3)nc3c2CCNC3)cc1 67850129 MNRGYKNOQGTCFH-UHFFFAOYSA-N 347.422 2.675 0 50 EFAA CNC(C)(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67688933 KDHMYSBJQPMHGG-ZWKOTPCHSA-N 326.440 2.515 0 50 EFAA Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 19397697 WFFVEJMWWQODLV-UHFFFAOYSA-N 345.193 2.971 0 50 EFAA C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 20486340 IUYLKGSQCPUSIP-SNVBAGLBSA-N 330.837 2.584 0 50 EFAA CN(CCc1cnn(C)c1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 23542277 GZRAAULFMBNHIL-LJQANCHMSA-N 346.519 2.856 0 50 EFAA Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccccc3)CC2)c(=O)[nH]1 66763459 CEGOVMZYWFOORJ-KRWDZBQOSA-N 339.439 2.726 0 50 EFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ncc1Br 359296892 ITMKUKKQRGFUMZ-YUTCNCBUSA-N 341.249 2.519 0 50 EFAA COc1ccc(OC)c(-n2cnnc2CCc2ccccc2O)c1 67650155 WCAVLJZRRGYCIB-UHFFFAOYSA-N 325.368 2.775 0 50 EFAA CCc1nc(=N[C@H](c2nc(C(C)C)no2)C2CCOCC2)s[nH]1 328610904 JOURDMVQXRMULS-LBPRGKRZSA-N 337.449 2.609 0 50 EFAA CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc3nc[nH]c3cc1F)CC2 333485086 QASNPVNDLYSOOM-LBPRGKRZSA-N 341.390 2.767 0 50 EFAA Cc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)c(C)c1 67629800 MLHWLZXUACDIMP-UHFFFAOYSA-N 342.447 2.701 0 50 EFAA Cc1ccc(-c2ccc(Cl)cc2NC(=O)CN2CCOCC2=O)o1 253427994 BYSHUBASQVDSFU-UHFFFAOYSA-N 348.786 2.706 0 50 EFAA O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cc2ncc[nH]2)CC1 330613812 ROAKHJMRQKEASE-UHFFFAOYSA-N 338.333 2.918 0 50 EFAA O=S(=O)(c1ccc(C(F)F)cc1)N1CCC[C@H]1c1ncc[nH]1 367770572 DIZDUMYYXLFWKN-LBPRGKRZSA-N 327.356 2.873 0 50 EFAA C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 237595371 CYMPHEBOWHMPJZ-RNCFNFMXSA-N 345.226 2.720 0 50 EFAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@H]1CCC(=O)O 237632031 UTYSCNDRCHNARX-RYUDHWBXSA-N 341.354 2.978 0 50 EFAA COc1cc(CN2CCN(c3cccnc3)CC2)cc(Cl)c1O 77378200 YWNYXHVLQOLIOG-UHFFFAOYSA-N 333.819 2.771 0 50 EFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(F)c1 38783804 FMGAXGOYPWGFLG-UHFFFAOYSA-N 349.247 2.586 0 50 EFAA O=C(Cc1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 129883765 AMINHRLECJFWGE-UHFFFAOYSA-N 344.724 2.535 0 50 EFAA O=C(c1ccn[nH]1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215266495 DNCOXELFWYTOBL-UHFFFAOYSA-N 327.775 2.652 0 50 EFAA Cc1ccc2c(=O)n(C[C@H]3CCCN(C(=O)C4CC4)C3)cnc2c1C 32603527 LFIANFFVVVTJCS-HNNXBMFYSA-N 339.439 2.662 0 50 EFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@@](O)(CO)CC1 215523213 YWXLSDJXZJIWOS-NRFANRHFSA-N 339.435 2.632 0 50 EFAA Cn1ccnc1CN1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 215334431 HHWJEDDAZUMZED-QGZVFWFLSA-N 344.459 2.573 0 50 EFAA Cc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 77407699 SVUITOYARCHOAF-LJQANCHMSA-N 347.459 2.874 0 50 EFAA C[C@@H]1CN(Cc2nc(O)c3c4c(sc3n2)CCC4)C[C@H](C2CC2)O1 376439035 AITFERWDWRPBSM-ZWNOBZJWSA-N 345.468 2.885 0 50 EFAA O=C(CCc1ccncc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72129255 VAAWJHMRKGGKEJ-OAQYLSRUSA-N 349.478 2.716 0 50 EFAA Cc1c(NC(=O)NCc2ncnn2C(C)(C)C)cccc1N(C)C 337524046 FRBJRKIOSQFCPU-UHFFFAOYSA-N 330.436 2.729 0 50 EFAA Cc1cccc(N2CCN(C(=O)NCCc3ccc(O)cc3)CC2)c1 242770910 DRVODGQVWPHPGD-UHFFFAOYSA-N 339.439 2.775 0 50 EFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3COCC3(C)C)cc2)n1 456538808 KWLPKGRGRSOZSI-QGZVFWFLSA-N 327.428 2.703 0 50 EFAA COC(=O)c1ccc(-c2nccn2[C@H](Cc2ccco2)C(=O)O)cc1 71422302 OLUGGXAZHNGOOL-OAHLLOKOSA-N 340.335 2.798 0 50 EFAA CC(C)[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(C(F)F)cc1 287448618 IAKXUVXAXQJVPA-STQMWFEESA-N 347.383 2.744 0 50 EFAA COCCN1CCN(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)CC1 195243326 HRFYTICRYCYVRF-KRWDZBQOSA-N 347.503 2.716 0 50 EFAA COC(=O)c1cc(-c2ccco2)nc2c1c(=O)[nH]c(=S)n2C1CC1 20608032 CVLWHOLWVLMYOL-UHFFFAOYSA-N 343.364 2.836 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](O)C12CCCC2 293794868 BIGIDXKXAMFPHE-CYBMUJFWSA-N 328.334 2.928 0 50 EFAA CCc1nc(C)sc1CN1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426465081 DCCDRXNILFROEJ-ZDUSSCGKSA-N 348.472 2.675 0 50 EFAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(-c2nccn2C)cc1 426662514 VJUHNNLMUIRMKP-UHFFFAOYSA-N 335.411 2.571 0 50 EFAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCOC2(CCCCC2)C1 179586798 GHOZSBFTLPXBJI-UHFFFAOYSA-N 326.400 2.647 0 50 EFAA COc1cccc(SCC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)c1 223173258 KVHAJCPNEKFDLP-AWEZNQCLSA-N 332.429 2.578 0 50 EFAA Cc1cc2[nH]c(CN3CCCC[C@@H]3c3nccs3)cc(=O)n2n1 334159695 OOYKQYCQTYPRJP-CYBMUJFWSA-N 329.429 2.515 0 50 EFAA Cc1nc(O)ccc1C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C 294247548 WLRHPTRVIMMHCA-LBPRGKRZSA-N 329.375 2.586 0 50 EFAA COc1ccccc1-n1ncc(C(=O)NCC2CC(F)(F)C2)c1C 294304396 RKZZGTAPRRTAKW-UHFFFAOYSA-N 335.354 2.964 0 50 EFAA COC(=O)c1cncc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 180570165 FAAVUHDMASRFQQ-CQSZACIVSA-N 343.387 2.577 0 50 EFAA O=C(NC1CCCC1)c1ccc(NC(=O)c2cc3n(n2)CCC3)cc1 294607298 WUEPSNIGORBHGK-UHFFFAOYSA-N 338.411 2.754 0 50 EFAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCOC2)cc1 97696305 WPXFVCSTIJOELP-MRXNPFEDSA-N 326.396 2.656 0 50 EFAA NC(=O)N1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 91966236 VIZAOWXYJMFRDK-GOSISDBHSA-N 337.423 2.761 0 50 EFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)CCc1scnc1C)CO2 91656298 YTCBOCAOOKHTGY-AWEZNQCLSA-N 346.452 2.712 0 50 EFAA CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[nH]2)C1 91594742 HGZDJLZZMGLUQL-LJQANCHMSA-N 331.460 2.996 0 50 EFAA CN(C)C(=O)c1cccc(NC[C@H]2CCOc3ccccc3C2)n1 95376310 NAWRELRWMVKLOV-AWEZNQCLSA-N 325.412 2.837 0 50 EFAA CC(=O)Nc1ccc(F)c(NC(=O)N2CCOC3(CCCC3)C2)c1 96150041 UZSPAPVLSUSDPN-UHFFFAOYSA-N 335.379 2.961 0 50 EFAA O=C(O)c1cccc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 95391733 AMGUAIRHDMJSGR-UHFFFAOYSA-N 341.455 2.871 0 50 EFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(-c2ccccc2)on1 244700881 JVQZCODRDNHWSG-SPYBWZPUSA-N 349.390 2.979 0 50 EFAA 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CC[C@H](NCc1cc(O)ccc1Br)[C@@H](O)C(F)(F)F 270858931 CIBRENJAWCOLMY-WDEREUQCSA-N 342.155 2.946 0 50 EFAA CCNc1nc(C)c(C(=O)NCCN2CCc3ccccc32)s1 759224395 PLBDZKPEUKNXOQ-UHFFFAOYSA-N 330.457 2.676 0 50 EFAA O=S(=O)(c1cnc(-c2ccccc2)o1)N1C[C@H]2C[C@H]3C[C@H]2[C@H]1C3 1875396911 XCFVYNPDPYSRGE-ZGKBOVNRSA-N 330.409 2.761 0 50 EFAA Cn1ncc2c(SCCCN3CCC(F)(F)CC3)ncnc21 952992366 LFOZXQRHVQMFLZ-UHFFFAOYSA-N 327.404 2.577 0 50 EFAA O=C(Nc1ncc2c(n1)CCCCC2)N1CC[C@H](CN2CCCC2)C1 1875296699 JZJXIVCKBJEBSO-OAHLLOKOSA-N 343.475 2.695 0 50 EFAA COCc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1F 1875288781 CVYASAAHHMYJPC-WDEREUQCSA-N 347.390 2.647 0 50 EFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C2CCCC2)C1 1875266235 MDZINTJXFNUEKI-ROUUACIJSA-N 344.455 2.992 0 50 EFAA Cc1cc(NC(=O)c2ccncc2Cl)ccc1NC(=O)CN(C)C 952968643 FIHJVVLRSSMMEC-UHFFFAOYSA-N 346.818 2.796 0 50 EFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)CSc1ccncc1 952873195 IHDQFUMXXYMAQH-OAHLLOKOSA-N 347.484 2.567 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2C2CCOCC2)c2ccccc2O1 886077739 HRCAASIOZGDAOA-MLGOLLRUSA-N 341.411 2.946 0 50 EFAA COc1ccccc1[C@@H]1CCN(C[C@@]2(O)CCCC[C@@H]2CC(=O)O)C1 1775999276 HIDZJZOIYCEUID-QINHECLXSA-N 347.455 2.881 0 50 EFAA Cn1nc(C(=O)N2CC[C@@H](c3ccon3)C2)cc1-c1ccc(F)cc1 1775999892 XQZSGJWDIYOTAV-CYBMUJFWSA-N 340.358 2.844 0 50 EFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)nc2ccc(Cl)cc12 1565513965 VHDDBHUHSVRIOQ-HOTGVXAUSA-N 334.803 2.730 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)c(C)o1 1565515725 MJYCHDPYHFSQKV-KXBFYZLASA-N 341.363 2.599 0 50 EFAA CN(C)C(=O)c1nn(C)cc1NC(=O)c1ccc(C(C)(C)C)cc1 170087569 LWKBIYYCNDGLBB-UHFFFAOYSA-N 328.416 2.672 0 50 EFAA COC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 170967822 URMKAQGNMGFZIT-UHFFFAOYSA-N 338.363 2.851 0 50 EFAA COc1cccc(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1 172007537 RVAMKASFXSDFBN-UHFFFAOYSA-N 341.459 2.634 0 50 EFAA CCCS(=O)(=O)CCN1CCO[C@H](c2ccc(F)cc2Cl)C1 187865668 SYJFOPDOBATVFE-HNNXBMFYSA-N 349.855 2.677 0 50 EFAA CO[C@@H]1CN(Cc2c(Cl)oc3ccccc23)C[C@H]1c1cnn[nH]1 643767201 MPHMSSFGXJZOQA-SWLSCSKDSA-N 332.791 2.819 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)no1 1704344418 NLTKUGOAJRAMEM-ALKREAHSSA-N 326.396 2.743 0 50 EFAA Brc1cnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)nc1 369472122 RPPIVFIEQFSSCK-NWDGAFQWSA-N 326.238 2.882 0 50 EFAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 5388256 XPOGQVDWKBQIBM-UHFFFAOYSA-N 347.374 2.752 0 50 EFAA CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 11842287 ZQIJEFBSKBFRKA-IBGZPJMESA-N 343.515 2.841 0 50 EFAA O=C(CCN1CCCCC1=O)N[C@@H]1CCCN(CC2CCCCC2)C1 11998872 WQAUBGYZMVBFID-GOSISDBHSA-N 349.519 2.550 0 50 EFAA O=C(CCC1CCN(C2CSCCSC2)CC1)N1CCCC1 12297187 QDDSLKUJGQKRAF-UHFFFAOYSA-N 342.574 2.950 0 50 EFAA COC(=O)CCCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12297594 GRPGDBNTAAJMBI-ZDUSSCGKSA-N 340.370 2.711 0 50 EFAA CC(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 12373446 CJQCJHAGRMBOSN-IBGZPJMESA-N 335.536 2.975 0 50 EFAA CC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14538623 MZOYDOLREKFONG-IBGZPJMESA-N 344.455 2.595 0 50 EFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14732246 BXCZAXMRASFFDS-OAHLLOKOSA-N 329.444 2.714 0 50 EFAA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O 15934947 MPFGFTKIUNEDLF-UHFFFAOYSA-N 337.379 2.976 0 50 EFAA CCn1nc(C)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857668008 YEJYTISHBQLHOB-ZDUSSCGKSA-N 326.404 2.602 0 50 EFAA CC[C@@]1(C(=O)NCc2coc(-c3ccccc3)n2)C[C@@H]2CC[C@H]1N2 1857670095 QTTFHQJASIYAIJ-ZSZQSSIHSA-N 325.412 2.879 0 50 EFAA Fc1cc(Br)cc2c1CCN(c1ncnc3[nH]cnc13)C2 675228862 NACZINJZDSQIIW-UHFFFAOYSA-N 348.179 2.817 0 50 EFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3ccccc3s2)n1 328615031 XNBPRVFLQMUIJR-VXGBXAGGSA-N 329.381 2.541 0 50 EFAA COC(=O)c1cnoc1CN1CC[C@H](Oc2ccccc2Cl)C1 242339329 ZGXZRPBDCLWWKN-NSHDSACASA-N 336.775 2.768 0 50 EFAA O=C(O)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCOC2 659116068 PFHJZXHHJNWPDY-UHFFFAOYSA-N 339.391 2.876 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 245312412 JBYRRQNRWIYTKC-INMHGKMJSA-N 335.469 2.579 0 50 EFAA COc1cccc([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)c1 246873826 LORPRGRESRHGDD-IUODEOHRSA-N 347.440 2.552 0 50 EFAA O=C(c1cccc2nc[nH]c12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348262688 JRHDLSFLPALEFD-CZUORRHYSA-N 325.343 2.650 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(Cl)c(C)c2)C[C@@H]1O 1704298583 IJLDGTROGKMYBM-YOEHRIQHSA-N 339.819 2.726 0 50 EFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1O 1704340813 UZUPUQNIOIDOPY-HOCLYGCPSA-N 329.799 2.917 0 50 EFAA Cc1cc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)oc1C(=O)O 910303825 UWKSKMNWXCVONE-CQSZACIVSA-N 329.352 2.728 0 50 EFAA O=C(c1cc2c(s1)CCOC2)N1C[C@H](CO)Cc2cccc(F)c21 911695365 KZWBCJYEYOMRTE-LLVKDONJSA-N 347.411 2.771 0 50 EFAA CN(C)Cc1ccnc(NC(=O)NC2CC3(COC(C)(C)C3)C2)c1 932168672 GGZDPSMRKFHFDC-UHFFFAOYSA-N 332.448 2.612 0 50 EFAA CC(C)=CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 408517411 IAKPHMXVQRYPOQ-IUCAKERBSA-N 346.271 2.553 0 50 EFAA Cc1c(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c2cc(O)ccc2n1C 2100473646 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Cc1ccc(F)c(NC(=O)CCC(=O)NCc2c(C)n[nH]c2C)c1 55252814 LKLVGMOVPNAAPI-UHFFFAOYSA-N 332.379 2.509 0 50 EFAA Nc1nc(CNC(=O)CSCc2ccccc2Cl)cs1 55393150 XDTIANSEHBRLFE-UHFFFAOYSA-N 327.862 2.928 0 50 EFAA CSc1ccccc1C(=O)N1CCC[C@H](N(C)CCCN(C)C)C1 20599098 YAGDVOBYUIEDHJ-INIZCTEOSA-N 349.544 2.897 0 50 EFAA Cc1cccc2ncc(C(=O)N3CCCC[C@H]3c3cccnc3)c(=O)n12 65396771 DFGGHLDJBQNNIG-KRWDZBQOSA-N 348.406 2.765 0 50 EFAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@H](c2ccsc2)[C@@H](CO)C1 249521889 VVODOZXVFDTMMV-COLVAYQJSA-N 334.441 2.691 0 50 EFAA COc1ccc2[nH]c(C(=O)NCc3cccnc3N(C)C)c(C)c2c1 67689155 PALRRZGSFQOKOO-UHFFFAOYSA-N 338.411 2.876 0 50 EFAA COc1ccc(F)cc1[C@H]1CC(=O)NCc2nc3c(C)cccn3c21 65399060 OFZBHPZKQIHFHX-CQSZACIVSA-N 339.370 2.942 0 50 EFAA COCC[C@H]1CCCCN1Cc1cc2ccc(OC)cc2[nH]c1=O 67561778 CCOZHLBSVAJINH-MRXNPFEDSA-N 330.428 2.928 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)Nc3ccnc(C)n3)CC2)c1 332556784 SFHOPJHNQHINSY-UHFFFAOYSA-N 325.416 2.756 0 50 EFAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccc(F)cc2)[nH]n1 229714173 GZTSRWUOKIALPQ-YOEHRIQHSA-N 328.391 2.572 0 50 EFAA Cc1ccc(C)c(NC(=O)CCN[C@H](C)C(=O)Nc2nccs2)c1 65376116 YZMBVMBKGBSTAL-CYBMUJFWSA-N 346.456 2.705 0 50 EFAA CC(C)c1cc(CN(C)C(=O)c2ccccc2N2CCOCC2)on1 65493133 DEHQZUOOHVUZIN-UHFFFAOYSA-N 343.427 2.907 0 50 EFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 121582340 SDHQUQWDTVYPHT-SLFFLAALSA-N 338.451 2.671 0 50 EFAA CC(C)c1nc(CN(C)C(=O)c2ccc3oc(=O)n(C)c3c2)cs1 65394114 NYVFKQZPUYXCBZ-UHFFFAOYSA-N 345.424 2.984 0 50 EFAA Cc1cnc(NC(=O)C(=O)NC2CCC(C(F)(F)F)CC2)s1 123312471 AIDSTKKHKOAAMY-UHFFFAOYSA-N 335.351 2.627 0 50 EFAA Cc1nc2ncc3c(=O)n(-c4ccc(F)c(Cl)c4)ccc3n2n1 30875088 KVDMZSSXCKQVOI-UHFFFAOYSA-N 329.722 2.529 0 50 EFAA CSc1cccc(F)c1C(=O)N[C@H]1CCCN(c2ncccn2)C1 253396983 BWCAWADKKIGBRC-LBPRGKRZSA-N 346.431 2.736 0 50 EFAA CC[C@@H]1Oc2cc([C@H](C)NCc3nnc(C)s3)ccc2NC1=O 253417730 ALQBMHDFMNTWEI-ZANVPECISA-N 332.429 2.807 0 50 EFAA CN(C(=O)NC[C@@H]1CCSC1)[C@@H]1CCCN(c2ccccc2)C1=O 253428698 QXLNPKWWRKSMDX-GOEBONIOSA-N 347.484 2.577 0 50 EFAA CCc1ccc([C@@H](CNS(=O)(=O)CCC2CCC2)N(C)C)cc1 253427929 HEDILMGCAPVTRO-GOSISDBHSA-N 338.517 2.961 0 50 EFAA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)O)c1 236676322 IRZBVAMHHAONCJ-HNNXBMFYSA-N 332.400 2.813 0 50 EFAA CSC[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 173632704 NJYBASNISPPMAX-HOCLYGCPSA-N 334.485 2.797 0 50 EFAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc(C2CC2)no1 257365556 OWNKOCYLOXODEK-DJSGYFEHSA-N 345.447 2.726 0 50 EFAA Cn1nnc2c1C[C@H](C(=O)N1CC(C)(C)C[C@H]1c1ccccc1)CC2 333517616 VMZBTMYZYFZDKU-QAPCUYQASA-N 338.455 2.920 0 50 EFAA O=C(N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cn2cccn2)c1 215126282 UOSPYDUSPLRTAS-SFHVURJKSA-N 339.370 2.534 0 50 EFAA O=C1CC[C@]2(CCCN(c3ccncc3)C2)CN1Cc1ccccn1 72424811 DRUMOPHNHILURH-FQEVSTJZSA-N 336.439 2.886 0 50 EFAA C[C@@H]1CCOCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 362047818 SXVAWMAPUACYDX-QGZVFWFLSA-N 330.472 2.579 0 50 EFAA CC1CCC(N2CCN(C(=O)Nc3ccn(C(C)C)n3)CC2)CC1 333298491 SJBUZTJTLBSEFJ-UHFFFAOYSA-N 333.480 3.192 0 50 EFAA CC(C)c1nnc2n1CCN(CCc1nc3ccccc3n1C)[C@@H]2C 363897460 GZIXVFHERLQMMZ-CQSZACIVSA-N 338.459 2.908 0 50 EFAA O=C(c1coc2ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333625026 UWYUHLKERFDKPS-UHFFFAOYSA-N 336.395 2.710 0 50 EFAA O[C@H](c1ccc(F)cc1)C1CCN(Cc2cnc3[nH]ccnc2-3)CC1 367374331 HQIMKLMQQYHTFV-GOSISDBHSA-N 340.402 2.994 0 50 EFAA COc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)o1 219749992 CFVZLSWCMGJXMQ-DACLVMHWSA-N 327.380 2.664 0 50 EFAA Cc1ccc(-c2ccccc2CN2CCC(NS(C)(=O)=O)CC2)o1 215996377 UELGHKZDPSHUAS-UHFFFAOYSA-N 348.468 2.769 0 50 EFAA O=C(O)CCN(C(=O)CCn1ccc2ccccc21)C1CCOCC1 238064626 JUYNRZNRKMKKMM-UHFFFAOYSA-N 344.411 2.514 0 50 EFAA CC[C@H]1CN(C(=O)c2cccnc2)CCC(=O)N1Cc1ccccc1 71614345 ZDOKMNCAJDNHKM-SFHVURJKSA-N 337.423 2.735 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@H](COc2ccc(F)cc2)C1 72439746 LSWHCZZBHCRTRR-ZDUSSCGKSA-N 348.374 2.770 0 50 EFAA COCCO[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 375007879 HPFJGXLRMPWUIQ-OAHLLOKOSA-N 333.407 2.843 0 50 EFAA Cc1cc([C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C(=O)O)ccc1F 262860187 AICJSCNRWQTJIV-MGPLVRAMSA-N 347.390 2.530 0 50 EFAA CC(C)c1csc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 218911339 JTALTQQHFCXXPP-TYNCELHUSA-N 331.441 2.904 0 50 EFAA CN(C)c1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 39389217 DEHZXQFXRVUPIK-UHFFFAOYSA-N 342.472 2.905 0 50 EFAA OC1CCN(C2CCN(Cc3c(Cl)cncc3Cl)CC2)CC1 72439457 FKNSAITXALRLLH-UHFFFAOYSA-N 344.286 2.810 0 50 EFAA Cc1cnn([C@H](C)[C@H](C)NCCC(=O)N[C@H](C)c2ccccc2)c1 240555626 GWQUEXIKDJTTST-GVDBMIGSSA-N 328.460 2.998 0 50 EFAA CC(C)=CCN1C[C@@H](C(=O)O)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 71759326 FARDIDRSMGCJNA-KGLIPLIRSA-N 334.391 2.753 0 50 EFAA Cc1cc(C)n2ncc(CN(C)CCCc3c(C)n[nH]c3C)c2n1 215191321 QIGHTBMTVVAODI-UHFFFAOYSA-N 326.448 2.751 0 50 EFAA CC(C)CN1CCN(C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1=O 72134463 AKWUHJPCUJFJDJ-CYBMUJFWSA-N 337.851 2.738 0 50 EFAA COCCN1CCC(NCc2c(C)nc3scc(C4CC4)n23)CC1 459384012 HUOLNHPRAJQVQN-UHFFFAOYSA-N 348.516 2.782 0 50 EFAA O=C(NCCc1cn2ccccc2n1)N[C@@H]1CCOC2(CCCC2)C1 133026816 BOTGUFUADOMVNN-OAHLLOKOSA-N 342.443 2.668 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)NCc3nccn3CC(C)C)C2)c1 175473235 HZDSBNLBSSEWQE-MRXNPFEDSA-N 344.463 2.591 0 50 EFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1C(=O)O 237540490 PBZPLYUUDXXZLP-ZWNOBZJWSA-N 329.318 2.960 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)cn1 97568869 AFCMYCYLWOLUNK-AWEZNQCLSA-N 343.452 2.944 0 50 EFAA Cc1cc(-c2ccccc2)nc(CN2CC[C@]3(CCCNC3=O)C2)n1 91747115 AFGSRPMNRCQKKP-HXUWFJFHSA-N 336.439 2.554 0 50 EFAA CC1(C)CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1 91665850 IGEPVYKTJVRSAD-KRWDZBQOSA-N 349.496 2.854 0 50 EFAA CCc1[nH]nc2c1CN(C(=O)Nc1cc3c(cc1C)OCCO3)CC2 426420530 GECMCPSIXDDTLC-UHFFFAOYSA-N 342.399 2.642 0 50 EFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NC[C@@H](O)c1ccccc1 95364165 JLQOBEVCZCXIET-QXAKKESOSA-N 330.472 2.881 0 50 EFAA CC(C)Cn1cncc1CNC(=O)[C@@H]1CCOc2ccccc2C1 95522727 OKCVHHXGIVZFJZ-MRXNPFEDSA-N 327.428 2.797 0 50 EFAA Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@@H](O)c1ccc(O)cc1 97307481 SMGUUIVYAOOKOF-GOSISDBHSA-N 349.390 2.621 0 50 EFAA CCc1nccn1CCC(=O)NC[C@H]1CCOc2ccccc2C1 95358316 FJXZYSMXBIIXSS-HNNXBMFYSA-N 327.428 2.593 0 50 EFAA COc1ccc2cc(C(=O)N(Cc3nccn3C)C(C)C)n(C)c2c1 97657251 QJTYCCAADOXRTL-UHFFFAOYSA-N 340.427 2.971 0 50 EFAA CCc1n[nH]c2c1CN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 244873380 WPGQYKWYHVCOFV-UHFFFAOYSA-N 330.432 2.520 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCO2 244887892 YQEAJPBLDMHKNX-FHWLQOOXSA-N 337.419 2.734 0 50 EFAA CSCC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)C(=O)O 244685630 ITQZAGBYZCMAIH-OAHLLOKOSA-N 336.457 2.613 0 50 EFAA C[C@H](O)[C@H]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 183198084 IOWMCBQLACHXFN-AAEUAGOBSA-N 345.270 2.655 0 50 EFAA O=C(CSc1ccccc1)Nc1cc2c(=O)[nH]cnc2cc1F 183836221 HUWUZLQHFYEWJR-UHFFFAOYSA-N 329.356 2.793 0 50 EFAA CN(CCO)c1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)cc1 252483626 FGCYADWQUIQLQB-UHFFFAOYSA-N 347.484 2.799 0 50 EFAA Cc1ccc(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)cc1F 864655379 CUTQJVKJZYOJQD-UHFFFAOYSA-N 344.386 2.969 0 50 EFAA O=C(O)CN(C(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C1CC1 299746085 VEYFAZDSNKNTDI-UHFFFAOYSA-N 342.273 2.756 0 50 EFAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@@H](Cn2ccnc2)C1 1940193746 XRIBRGZFYVUEOW-AWEZNQCLSA-N 328.416 2.660 0 50 EFAA CN(C[C@@H]1CCC[C@H]1O)C(=O)Cc1cc(Br)ccc1F 270096893 NLFBACLJEDYBQQ-IINYFYTJSA-N 344.224 2.750 0 50 EFAA Cc1cc2nc(C(=O)N[C@@H](C)c3nc(C)sc3C)cc(C)n2n1 299772495 ZRPNVSJVMPUHGL-JTQLQIEISA-N 329.429 2.910 0 50 EFAA CC(=O)N[C@@H](c1nc(-c2ccccc2)nn1CC(C)(C)O)C(C)C 820575369 PFOFFSJGANUCJV-OAHLLOKOSA-N 330.432 2.549 0 50 EFAA COc1ccc(Cl)cc1[C@@H](C)NCc1cnn2c1CN(C)CC2 952889508 GDKJJXAHRXWPLQ-GFCCVEGCSA-N 334.851 2.841 0 50 EFAA CN(C)CCCOc1ccc(CNc2ncnc3cnccc23)cc1 1875266003 YQJUNLHLOWZROE-UHFFFAOYSA-N 337.427 2.967 0 50 EFAA O=C1NC(C(=O)N2C[C@H]3CCCC[C@H]3C2)=C[C@H](c2ccccc2)N1 1875335368 FSIABJXMWXHIRT-OWCLPIDISA-N 325.412 2.573 0 50 EFAA C=CC(=O)N(Cc1cc(C(N)=O)cs1)[C@H]1CCc2ccccc2C1 1875388169 PGUUQRTXICJMPT-INIZCTEOSA-N 340.448 2.919 0 50 EFAA C[C@](N)(COc1ccccc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 1875349605 DOGDIDLGEAEHNY-IBGZPJMESA-N 336.395 2.812 0 50 EFAA Cc1noc(C)c1C(=O)N1CCCN(c2nc3ccccc3o2)CC1 1057095411 BXDJTISHFNCVEL-UHFFFAOYSA-N 340.383 2.785 0 50 EFAA Cc1nc2c(cc1C(=O)NCC(C)(C)C1CCOCC1)c(C)nn2C 887395069 PRQDYVSICODIGI-UHFFFAOYSA-N 344.459 2.768 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3cc(C)[nH]c3C)C2)c(C)[nH]1 888040370 IRUJQYATUXJQLZ-HNNXBMFYSA-N 342.443 2.611 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(Cc1ccoc1)C1CC1 889091938 KPIUKUQPFHKCLG-HZPDHXFCSA-N 329.400 2.765 0 50 EFAA O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC2(CC1)CC2(F)F 892789418 OJLYVWZRWJUYLX-OAHLLOKOSA-N 335.398 2.532 0 50 EFAA Cc1ncc(CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)s1 1775959281 SLYZVOQHPXFCRN-INIZCTEOSA-N 332.473 2.561 0 50 EFAA Cc1nc([C@@H](C)NCC23CCC(CC2)N3C(=O)OC(C)(C)C)n[nH]1 1775987917 XICYZOYJCMZHIS-FFLHNBHYSA-N 335.452 2.696 0 50 EFAA CCCCCC(CCCCC)NCc1nc(CS(C)(=O)=O)n[nH]1 1775987851 LQGRVDADOWRCME-UHFFFAOYSA-N 344.525 2.968 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3c3nc[nH]n3)cc2)n1 1775999666 UCLLSPWHASVJBU-MRXNPFEDSA-N 336.399 2.585 0 50 EFAA CC[C@H](NC(=O)Cc1cccc(O)c1)[C@@H](O)c1c(F)cccc1F 272248553 OTABPVRBNSEJFG-MAUKXSAKSA-N 335.350 2.841 0 50 EFAA CC1(C)C[C@@H](NC(=O)Nc2ccncc2Br)CCO1 272679272 NAELRPWBXAFKGY-VIFPVBQESA-N 328.210 2.923 0 50 EFAA CCC(=O)[C@H]1CCCCN1C(=O)c1nnn(-c2ccc(C)cc2)c1C 185832597 BQXGPHKFGVEWBX-MRXNPFEDSA-N 340.427 2.858 0 50 EFAA COc1ccc2c(c1)nc(CNC(=O)N(C)C(C1CC1)C1CC1)n2C 186085270 BLQPUUNUYUUTBI-UHFFFAOYSA-N 342.443 2.912 0 50 EFAA COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2F)c(OC)c1 186676905 NHXIBBXOMXTMOU-UHFFFAOYSA-N 346.358 2.939 0 50 EFAA O=C(OCc1nc2ncc(Br)cc2[nH]1)[C@H]1C[C@@H]1C1CC1 170656466 DJPJQYPLIVDITK-ZJUUUORDSA-N 336.189 2.810 0 50 EFAA O=C(CNc1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 172846146 BSZKLZWMMFZEPX-QGZVFWFLSA-N 332.350 2.977 0 50 EFAA CO[C@](C)(C(=O)NCCc1ccc2n[nH]cc2c1)c1ccccc1F 408518175 WEKMEQFMQOKDLN-IBGZPJMESA-N 341.386 2.923 0 50 EFAA O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2nnc(-c3ccco3)o2)C1 225521254 QECASJJDPQWXAX-FZMZJTMJSA-N 347.321 2.916 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCC([C@H]2CCCO2)CC1 195466161 CBEFGOLGPDBWSR-OAHLLOKOSA-N 339.457 2.583 0 50 EFAA CCn1ccnc1CNC(=O)NC1(c2cccc(OC)c2)CCC1 664996959 SOOLJKHJTGHOJK-UHFFFAOYSA-N 328.416 2.790 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(OC(F)F)cc3)C[C@@H]12 1704337631 ALHAGYSCRIFTSQ-SJLPKXTDSA-N 340.414 2.567 0 50 EFAA CC(C)Cc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1 1704337367 RMSCNCHWXUXGIY-UHFFFAOYSA-N 328.460 2.812 0 50 EFAA O=C(C1CCOCC1)N1CCCN(c2ccnc3ccccc23)CC1 1772817967 KPRAEQKXTINMKD-UHFFFAOYSA-N 339.439 2.700 0 50 EFAA CC[C@]12C[C@H]1CN(S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F)C2 1775981997 KZWIDWDBHCRWLT-RMLUDKJBSA-N 347.795 2.598 0 50 EFAA CCCCN(C)C(=O)c1sc2ncnc(NCCN(C)C)c2c1C 12279602 UTDLBZFHOQDENC-UHFFFAOYSA-N 349.504 2.845 0 50 EFAA CC[C@@H](NC(=O)c1cn(Cc2ccccc2F)nn1)c1ccncc1 12304179 KRWNNECFQOVCIU-MRXNPFEDSA-N 339.374 2.742 0 50 EFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccccc2F)cc1 12405969 VSARIVHZBXGWCR-HNNXBMFYSA-N 342.370 2.987 0 50 EFAA COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1 14779724 HLSIOUXODPWHFI-UHFFFAOYSA-N 330.292 2.594 0 50 EFAA endogenous,in-man CC[C@H](CO)NCc1ccc(OCc2ccc3c(c2)OCO3)cc1 15356890 KDGVBCUKDIDRGP-MRXNPFEDSA-N 329.396 2.855 0 50 EFAA CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2F)cc1 16579280 YVDCIHZJAYGMNA-UHFFFAOYSA-N 337.372 2.944 0 50 EFAA c1c[nH]c(CN2CCC[C@@H](Cn3cc(C4CCCCC4)nn3)C2)n1 19145463 CELDYGKDIZDARN-OAHLLOKOSA-N 328.464 2.961 0 50 EFAA CCOc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)ccc1O 19229328 FIJDKEZRUWTUPP-SFHVURJKSA-N 348.487 2.602 0 50 EFAA CCc1ccc(-c2nccn2-c2cnn(CCCC(=O)NC)c2)cc1 1857683758 XJOXGNKGYCMCLE-UHFFFAOYSA-N 337.427 2.824 0 50 EFAA OC[C@H]1[C@H]2CN(c3ccnc4cc(Cl)ccc34)C[C@]23CC[C@H]1O3 1857734521 LEPBDPHVAUWUHN-MJSCVDMRSA-N 330.815 2.864 0 50 EFAA C[C@H]1N(Cc2ccc3c(c2)CCO3)CCC[C@@]12CCCN(C)C2=O 1875244812 VSTMKHWLXXHQNO-QRWLVFNGSA-N 328.456 2.844 0 50 EFAA COc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)ccc1Cl 423665382 HJBBVUQXOMZAEV-INIZCTEOSA-N 330.815 2.965 0 50 EFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2ccco2)on1 328656530 ZKCDCOOJERCQMY-GJZGRUSLSA-N 349.406 2.580 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H]2CN)cc(C)c1OCc1cccnc1 237697088 HAVQTKUTYHZQBM-SFHVURJKSA-N 339.439 2.841 0 50 EFAA N[C@@H]1CC[C@@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)C1 237939200 QJWLVQNQMKVZQG-ZIAGYGMSSA-N 336.863 2.632 0 50 EFAA O=C(c1ccc2c(c1)CCO2)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 247955227 VEODJMJLYJSSTQ-YJBOKZPZSA-N 326.440 2.568 0 50 EFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 248029467 LGXVNVQKPBPGDN-CABCVRRESA-N 339.395 2.568 0 50 EFAA O=C(NC[C@@H]1COc2ccccc2O1)c1cccc2ncsc12 1866042934 VJHXVBNRJSBVKU-LLVKDONJSA-N 326.377 2.866 0 50 EFAA CC(C)Cn1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)n1 902016140 KQZVNJXPWAFOFV-GDBMZVCRSA-N 327.384 2.582 0 50 EFAA CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnn2ccccc12 809720755 MQUFHQQJACKNJE-MRXNPFEDSA-N 330.432 2.823 0 50 EFAA O=C(O)c1coc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 911274112 DAUUECMMMQJAHO-LLVKDONJSA-N 348.786 2.888 0 50 EFAA CC1(C)CO[C@@H](CS(=O)(=O)N2CC3CC2(c2ccccc2)C3)C1 2325776420 LGMIUUULUUYKJZ-BFHRDPOASA-N 335.469 2.752 0 50 EFAA CCN(Cc1ccc2ccccc2c1)C(=O)c1cn2c(n1)CC[C@@H](N)C2 2325787608 LCBQEXIHEDIHSP-GOSISDBHSA-N 348.450 2.972 0 50 EFAA c1ccc(Cc2nnc(N3CCCN(c4ccncc4)CC3)o2)cc1 2325790472 NUZANSPCBSCHBT-UHFFFAOYSA-N 335.411 2.772 0 50 EFAA CN1CCc2cc(C(=O)NCc3cccc4[nH]ncc34)sc2C1 2325820797 CDISMFRVAMAAIP-UHFFFAOYSA-N 326.425 2.542 0 50 EFAA COc1cc(CCNC(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)ccc1C 119017748 JMHRGIBJGCMKKG-ROUUACIJSA-N 345.487 2.672 0 50 EFAA CCOC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 158871 VWVPLIUTRRNSOI-UHFFFAOYSA-N 340.408 2.985 0 50 EFAA CC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 176085 VPRQJMHJCXVZNE-UHFFFAOYSA-N 332.407 2.965 0 50 EFAA c1coc(CNc2nc3ccccc3n2CCN2CCOCC2)c1 350258 ZJFDUAOVEYDWGZ-UHFFFAOYSA-N 326.400 2.574 0 50 EFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(N)c1 406247 KSQJQDAPMJCFDK-UHFFFAOYSA-N 344.411 2.630 0 50 EFAA COC(=O)c1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 490459 KSUHDLSORFHOHX-IBGZPJMESA-N 339.347 2.584 0 50 EFAA biogenic CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(C)cc21 1362072 SDLNWHGDJULWTH-UHFFFAOYSA-N 340.379 2.758 0 50 EFAA O=C(CNC(=S)NC(=O)c1ccccc1Cl)c1ccccc1 2999351 FYQNZWCKYHRJLS-UHFFFAOYSA-N 332.812 2.827 0 50 EFAA Oc1ccc2cc1CCc1cc3c(cc1CCCNCC2)OCO3 2356161409 UTCGZPPRLVVAEN-UHFFFAOYSA-N 325.408 2.984 0 50 EFAA N=C1NC(=O)/C(=C\c2cc(Br)cc(Cl)c2O)S1 3899250 YFIFRZLOKVWADU-FARCUNLSSA-N 333.594 2.947 0 50 EFAA CC1(C)COC2(OC1)C(=O)N(CN1CCCCC1)c1ccccc12 4865566 YKDZQQMSBIDSFX-UHFFFAOYSA-N 330.428 2.702 0 50 EFAA Cc1ccnc(C[C@H](C)N(C)C(=O)CSc2nnc(C)s2)c1 55072025 RZGVKPKDUAHGLC-NSHDSACASA-N 336.486 2.732 0 50 EFAA Cc1cccc(-n2nc(C)nc2Cc2ccc(S(C)(=O)=O)cc2)c1 65528473 QJEHJFZYDCZXFV-UHFFFAOYSA-N 341.436 2.878 0 50 EFAA O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1n[nH]c2c1CCC2 119683222 CDZVACQJMPPHJH-CYBMUJFWSA-N 344.484 2.602 0 50 EFAA Cc1noc(C)c1C[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 252477064 HLLGLVKLEFXOET-YWSWHFDRSA-N 334.416 2.714 0 50 EFAA Cc1cc(C)n(C[C@H]2CCCCN2[C@@H](C(N)=O)c2ccccc2)n1 229486837 FBQMBBJYSADCRH-QZTJIDSGSA-N 326.444 2.581 0 50 EFAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@@H](O)c1ccco1 252477664 SGKOCOBFGGLIKD-BRSBDYLESA-N 341.407 2.909 0 50 EFAA Cc1nnnn1-c1cccc(OC[C@@H]2CCCN3CCCC[C@H]23)c1 63870667 ARIRDOKLNNDDOT-MAUKXSAKSA-N 327.432 2.614 0 50 EFAA CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)c1ccc(Cn2cccn2)o1 230093033 SNUDBAXNSLYZMD-FVQBIDKESA-N 330.384 2.885 0 50 EFAA CC(C)C[C@]1(CO)CCCN(c2ccnc(C(=O)NC(C)C)c2)C1 72132012 MQNPDEGMNAOAPD-LJQANCHMSA-N 333.476 2.845 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2c2nc(O)c3ccccc3n2)c1 283521225 NCWOEHPHEKPHJG-DYVFJYSZSA-N 337.379 2.656 0 50 EFAA CCn1ccnc1CN1CCC(CO)(Cc2cccc(OC)c2)CC1 12209454 XJBWAPWPPSCAKR-UHFFFAOYSA-N 343.471 2.729 0 50 EFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2noc(C(C)C)n2)n1C 328630513 JKNQOKCCSWIDDH-CQSZACIVSA-N 345.447 2.618 0 50 EFAA CC[C@H](C)NC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 814961 QASBCKZFOOIPLI-TVQRCGJNSA-N 325.206 2.857 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1CCNC1 253431778 IDEZBYONDOJROQ-VBQJREDUSA-N 343.471 2.661 0 50 EFAA c1cc(CN2CCOCC2)cc(-c2noc(-c3cncs3)n2)c1 253432836 OPWVEHKNPQUGAD-UHFFFAOYSA-N 328.397 2.692 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nc2ccccc2o1 431977229 KRPJFIFHSQCFDF-KSSFIOAISA-N 326.400 2.798 0 50 EFAA CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1c(C)cc(C)cc1C 5884052 TXJIDFRAWHHWIE-OAHLLOKOSA-N 341.411 2.901 0 50 EFAA CC1(C)[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]21 174077615 LRSQBQMDVHNVJC-IRXDYDNUSA-N 326.440 2.653 0 50 EFAA CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 123748017 ADYXYZINHWOFKN-GLQYFDAESA-N 335.448 2.572 0 50 EFAA COc1ccc(C)cc1C1(CNC(=O)C(F)(F)Cl)CCOCC1 152987511 BJEGAJJJKAPRLG-UHFFFAOYSA-N 347.789 3.000 0 50 EFAA O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCOC2(CCOCC2)C1 77340674 GFOFIFFJJPODSY-CQSZACIVSA-N 341.810 2.866 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 153358113 QRRWKEMUGKZDGF-MAUKXSAKSA-N 331.460 2.699 0 50 EFAA COC(=O)C1=NOC2(CCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)C1 155919489 KFHPKOKAVQTQND-GJZGRUSLSA-N 348.443 2.513 0 50 EFAA COCCn1cncc1CN1CCC(C(C)=O)(c2ccccc2)CC1 72125703 UKDXUHFQNXRGNJ-UHFFFAOYSA-N 341.455 2.652 0 50 EFAA Cc1nc(COc2cccc(C(=O)N3C[C@@H](CN)C[C@@H]3C)c2)cs1 261994975 PIGDSMAQNPJZTM-GXTWGEPZSA-N 345.468 2.840 0 50 EFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)Cc1ccccn1 39445741 FJUCLBILEXUNSM-UHFFFAOYSA-N 346.434 2.972 0 50 EFAA Cc1cc(N2CC[C@H](Sc3ncc(C(C)(C)C)o3)C2=O)n(C)n1 129923358 KMCZIRCIJKRNBI-NSHDSACASA-N 334.445 2.912 0 50 EFAA CN1CC[C@]2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 72418316 QHBRAJKNJRNLFB-FQEVSTJZSA-N 330.472 2.558 0 50 EFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1CCCN2 130217489 ATUBJHAOOREUCG-SFHVURJKSA-N 338.407 2.559 0 50 EFAA CCc1nc(C)c(C(=O)NC[C@H](C(=O)O)c2ccc(F)cc2)s1 262793494 BZIDGXTYIIRULY-LBPRGKRZSA-N 336.388 2.751 0 50 EFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]1c1c(F)cccc1Cl 240412647 FNOBZFOGMDIPEZ-RCWTZXSCSA-N 325.767 2.952 0 50 EFAA COC(=O)Cc1c(O)ccn(Cc2ccc(Cl)c(Cl)c2)c1=O 15923798 MREAIJHEEHQCBL-UHFFFAOYSA-N 342.178 2.625 0 50 EFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 241383488 MVRXTKSHWDEPRD-BBWFWOEESA-N 342.826 2.656 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cc(F)ccc1OCC(F)(F)F 288396817 FWFQGPQNUBPLSJ-JTQLQIEISA-N 348.296 2.764 0 50 EFAA COc1cc(OC)c(C(=O)N2CCCc3occc3C2)cc1OC 289806270 RWZPDBOYPAYNPY-UHFFFAOYSA-N 331.368 2.894 0 50 EFAA CC(C)COc1ncccc1C(=O)N1CCC([C@H]2CCNC2)CC1 290687996 UOFJPWWOAOMFPS-INIZCTEOSA-N 331.460 2.578 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(OCCCN)c2)cn1 426707592 YZEFWXZMVXHKEA-OAHLLOKOSA-N 327.428 2.917 0 50 EFAA CC[C@@H](NC(=O)N1CCC(N2CCOCC2)CC1)c1cccs1 426491601 WSIRGGUWAYNXIZ-OAHLLOKOSA-N 337.489 2.705 0 50 EFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2cc3ccccc3[nH]2)C1 426571462 JIDKYBFQUJLCDC-AWEZNQCLSA-N 326.444 2.936 0 50 EFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCc1scnc1C)C2 95525365 IRQGPOMAISGZOK-CYBMUJFWSA-N 346.452 2.760 0 50 EFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(CC3CCCC3)C2)n1C 95391127 KMVZCFVNFGPJPK-QGZVFWFLSA-N 342.491 2.738 0 50 EFAA Cc1cc(C)c(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1C 426387060 INBJSGDWVPUHKF-NRFANRHFSA-N 338.451 2.733 0 50 EFAA COCCC[C@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1 91562959 KFNMHZATQRCJAE-GOSISDBHSA-N 325.424 2.835 0 50 EFAA COc1ccccc1CN1CCN([C@H](C(=O)O)c2ccsc2)CC1 95383956 BORKNGVGZCVPBI-KRWDZBQOSA-N 346.452 2.700 0 50 EFAA CSc1ccc([C@H](C(=O)O)N2CCN(C3CCCC3)C(=O)C2)cc1 95372527 VFYSMCJUAXTATR-QGZVFWFLSA-N 348.468 2.621 0 50 EFAA C[C@H](Oc1ccccc1Br)C(=O)N[C@@H](C)[C@H]1CCCO1 239235289 VSNGVMGGFMNDEJ-GMXVVIOVSA-N 342.233 2.900 0 50 EFAA OCc1ccc(-c2nc(C3CCOCC3)nn2CC(F)(F)F)cc1 96162232 TXFNJXQEKXMFII-UHFFFAOYSA-N 341.333 2.894 0 50 EFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)O)C2)c1 237254439 CWMFABXNLWLUTH-ZDUSSCGKSA-N 340.379 2.986 0 50 EFAA Cc1cccc(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)c1Cl 180382592 AASRDXRPXMDBDD-HIFRSBDPSA-N 331.865 2.868 0 50 EFAA CCN1CCC[C@](C)(C(=O)N2CC(OCc3ccccc3F)C2)C1 95376811 YQMSALIEYDDAKW-IBGZPJMESA-N 334.435 2.675 0 50 EFAA Cc1ccc(NC(=O)NCC2(N(C)C)CCOCC2)c(Cl)c1 97743651 HPTBWGFTYNHHDC-UHFFFAOYSA-N 325.840 2.881 0 50 EFAA Cc1nnc(CCNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)s1 95507119 BHSBMZFOKLEUTA-LSDHHAIUSA-N 336.505 2.550 0 50 EFAA Cn1c(=O)n(C)c2cc(CNC(=O)C[C@H]3CCc4ccccc43)ccc21 91808734 SLPZRKFGGJWSQL-MRXNPFEDSA-N 349.434 2.613 0 50 EFAA CN(Cc1noc([C@@H]2CCCO2)n1)Cc1cc(-c2ccccn2)no1 243914707 BJURWLKTKXZWEL-HNNXBMFYSA-N 341.371 2.603 0 50 EFAA COc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(C)c1 244899475 ZKMDNBBTGAKDSF-DEYYWGMASA-N 326.396 2.641 0 50 EFAA Cn1ccnc1CC1CCN(C[C@H](O)CCc2ccccc2)CC1 182349977 SYHRGDACYLSEOY-LJQANCHMSA-N 327.472 2.668 0 50 EFAA NCCCN(c1cccc(F)c1)C1CCN(C(=O)c2ccoc2)CC1 183218495 FFRUNOASBQZMGH-UHFFFAOYSA-N 345.418 2.879 0 50 EFAA Cc1ccc(F)c(C(=O)N[C@H]2C[C@H](c3cc(O)ncn3)C2)c1Cl 253534770 AYGQCSRBEFQSND-MGCOHNPYSA-N 335.766 2.959 0 50 EFAA CC(=O)c1c(-c2cccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cnn1C 534633687 IDQWIFAMTBYEML-BETUJISGSA-N 341.411 2.539 0 50 EFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)NC[C@H](C)N(C)C)c2)n1 534631037 IZKDUSFACOPLIT-INIZCTEOSA-N 343.475 2.581 0 50 EFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cnns2)cc1 299789912 AKAXPUSNHHDEDA-CQSZACIVSA-N 348.428 2.760 0 50 EFAA COc1ccc(COCC(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)cc1 952995601 RFLLWPPVNSJCLF-GOSISDBHSA-N 343.427 2.997 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H](C)N2CCCC[C@@H]2C)[nH]1 1875255421 ZHBZWHJUMOMLDY-LSDHHAIUSA-N 325.460 2.944 0 50 EFAA O=S(=O)(Nc1ccc(-c2cn[nH]c2)cc1)c1cnn(C2CCC2)c1 1875281294 ZZVLZRDLXBRQQS-UHFFFAOYSA-N 343.412 2.799 0 50 EFAA CC(=O)N1CC[C@]2(CCCN2C(=O)c2ccc(C)c3c2CCC3)C1 1875349734 KNKNELXDOQEKHJ-HXUWFJFHSA-N 326.440 2.711 0 50 EFAA CCn1ccc(=O)c(NC(=O)N2CC(CCc3ccccc3)C2)c1 1875310834 DRKNWXALONCCCT-UHFFFAOYSA-N 325.412 2.965 0 50 EFAA O=C1C[C@@H](COC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CO1 1875321123 VNQCVQGOMQETPJ-MRVPVSSYSA-N 327.258 2.907 0 50 EFAA O=C(NS(=O)(=O)Oc1ccccc1)[C@H]1CC12CCC(F)(F)CC2 1875306136 UUDXNTHWVQYSET-GFCCVEGCSA-N 345.367 2.642 0 50 EFAA CCc1cc(C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1F 1875309118 RRCXQRLNOLLCKG-YVEFUNNKSA-N 328.387 2.776 0 50 EFAA C1CCc2c(nnn2CCN[C@@H]2CCC[C@H](C3CCOCC3)C2)C1 1875404778 USFBVQOUHHYYDF-DLBZAZTESA-N 332.492 2.732 0 50 EFAA Cc1nnc(CN2CCC[C@@H](CNC(=O)c3ccsc3)C2)s1 952982222 WUWYAQUOJWKPFF-LBPRGKRZSA-N 336.486 2.550 0 50 EFAA Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@@H]1CCCCN1C 952977799 OYBZHROPDCEAKT-ZDUSSCGKSA-N 330.881 2.753 0 50 EFAA CN1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1 887557476 PHQNDQRVDKHAGJ-UHFFFAOYSA-N 338.407 2.830 0 50 EFAA CCC[C@H]1CN(C(=O)c2cc(O)nc3cc(F)ccc23)C[C@@H]1N(C)C 1565530578 JEALQKVPARLQLC-SJCJKPOMSA-N 345.418 2.882 0 50 EFAA O=C(CCc1ccsc1)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565525703 WHPHRZGJJSROFR-IRXDYDNUSA-N 346.452 2.566 0 50 EFAA COc1cncc(CN[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1C 631127913 VNHCWTWTCHJNGB-WBVHZDCISA-N 331.460 2.669 0 50 EFAA COc1ccccc1N1CC[C@H](CNc2ncnc(N)c2Cl)C1 273148685 WMSLKUMSSLZRSJ-LLVKDONJSA-N 333.823 2.659 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)N(C)c1cccnc1N(C)C)CO2 186276319 SVDVOZYQHZGODJ-HNNXBMFYSA-N 325.412 2.903 0 50 EFAA CCOc1cccc(C(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1 186205632 ZNICADBGGBGNSQ-UHFFFAOYSA-N 340.427 2.648 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCc2ccccc2O1 411133431 ZYYUWBPLODEYIS-ICSRJNTNSA-N 336.435 2.771 0 50 EFAA O=C(O)c1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)ccc1O 633138297 IVILDCSSDOSYHM-KUHUBIRLSA-N 339.347 2.769 0 50 EFAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1N1CCCCC1 225467347 UVFTXCVEMRORKI-LSDHHAIUSA-N 344.459 2.843 0 50 EFAA CC(C)C[C@H](C)S(=O)(=O)NC(=O)c1ccccc1-c1cncnc1 170638309 WSLLMQGFNLZNLN-ZDUSSCGKSA-N 347.440 2.638 0 50 EFAA COc1ccc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)cc1 170613250 ISNUSPKABUPWBQ-SFHVURJKSA-N 328.368 2.872 0 50 EFAA CCn1c(S)nc2cc(C(=O)N(CC3CC3)C3CC3)ccc2c1=O 170620856 GPZLKOVEOYNSNO-UHFFFAOYSA-N 343.452 2.720 0 50 EFAA C[C@H](NC[C@H](O)CC1(O)CCOCC1)c1ccc2ccccc2c1 634636966 MVPQUBIDRGPEPV-HNAYVOBHSA-N 329.440 2.783 0 50 EFAA CCCc1occc1C(=O)Nc1cccc(CN2CCOCC2)n1 281305618 JODDJPHLSYYIPR-UHFFFAOYSA-N 329.400 2.712 0 50 EFAA Cc1cc(O)nc([C@H](C)N2CCC(O)(c3c(F)cccc3F)CC2)n1 192796631 JMMKCLFRXZZGMZ-LBPRGKRZSA-N 349.381 2.813 0 50 EFAA c1cncc([C@@H](NC[C@@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 195102908 HVURKGCOXYFEQW-IAGOWNOFSA-N 342.443 2.950 0 50 EFAA Cc1ccc([C@H](C)[C@@H](O)C(=O)N2CCn3c2nc2ccccc23)cc1 677918380 BFVISQBRLPGKKH-KBXCAEBGSA-N 335.407 2.856 0 50 EFAA O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H](O)c2cccs2)CC1 1506421181 GFFRKJVAQDAQQT-MRXNPFEDSA-N 331.441 2.546 0 50 EFAA CCOc1cc(/C=C/C(=O)O)cc(I)c1OC 444906 PSDBCWAHXSMBMN-SNAWJCMRSA-N 348.136 2.796 0 50 EFAA CCc1cccc(OCCN(CC)Cc2cnc(C(=O)O)cn2)c1 1772711186 WIPHSEHZQOIDCH-UHFFFAOYSA-N 329.400 2.638 0 50 EFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1cc(O)cc(OCC2CC2)c1 1772710104 VCZZKDXVKVRXFD-ROUUACIJSA-N 330.428 2.538 0 50 EFAA CCCCc1ccc(NC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1 1772709538 KWAWNRYGGGVCRX-BEFAXECRSA-N 346.427 2.984 0 50 EFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(C)C)cc2)n1 11903377 CQDQJRCRLYRKLK-UHFFFAOYSA-N 347.440 2.850 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](CCc2ccccc2)C1 14965846 TYBBZUMEUBZOJL-KRWDZBQOSA-N 339.391 2.889 0 50 EFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1C[C@@H]2C=C[C@H]1C2 14973493 YFIKVYLJJLCXCX-YQYZPQCESA-N 347.418 2.776 0 50 EFAA O=C(CNC(=O)c1ccccc1F)Nc1ccc(F)c(F)c1F 18049536 DNEGTJVFBUNOOU-UHFFFAOYSA-N 326.249 2.612 0 50 EFAA CC(C)c1ccnc(N2CCN(c3ccnc(C(C)C)n3)CC2)n1 302230556 YITQBPURFLUCEA-UHFFFAOYSA-N 326.448 2.840 0 50 EFAA O=C(NC[C@@H](CO)Cc1ccccn1)c1cc2ccc(Cl)cc2[nH]1 304762650 QWIGQIHHDIRDDG-LBPRGKRZSA-N 343.814 2.797 0 50 EFAA Nc1ncnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1Cl 225479792 JXTZFCLOIDOFKM-UHFFFAOYSA-N 346.744 2.838 0 50 EFAA Cc1nc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)oc1C 328620767 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OHXNAPRMQIATHR-OAHLLOKOSA-N 339.439 2.842 0 50 EFAA C[C@@H](CC(=O)NCC(=O)N[C@@H](C)c1ccccn1)c1ccc(F)cc1 1775998407 CULIFJAUFTUHKC-KBPBESRZSA-N 343.402 2.708 0 50 EFAA Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1 1364023968 DMEKQONNURHGPK-UHFFFAOYSA-N 348.378 2.801 0 50 EFAA O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1F 19841600 MQSSJGZUEXNJCQ-UHFFFAOYSA-N 341.430 2.972 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C1 165520794 MVNGIIZTPGFKGZ-LBPRGKRZSA-N 348.399 2.810 0 50 EFAA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nn2cc(C)nc2s1 275674335 VTJQIJVIXFTTLB-RYUDHWBXSA-N 332.433 2.648 0 50 EFAA Cc1cccc2nc(CN3CCC(C4CCOCC4)CC3)cc(=O)n12 170052318 HXZFFOPBYXYYLC-UHFFFAOYSA-N 341.455 2.642 0 50 EFAA Cc1cc(N2CCC[C@H](NC(=O)Nc3cc(C(C)C)on3)C2)n(C)n1 278123927 LVZBUJCGJCSJFC-ZDUSSCGKSA-N 346.435 2.630 0 50 EFAA Cc1ccc(C(=O)NCCCCn2cc(Br)cn2)cn1 279355649 INPIHFMLEGULCL-UHFFFAOYSA-N 337.221 2.559 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 302781233 RXUNIGKVIOWZRL-CYBMUJFWSA-N 326.322 2.774 0 50 EFAA COc1ccc(CN(C(=O)[C@@H]2CCCCC(=O)N2)[C@H](C)C2CC2)cc1 281237655 SRVWHEHOZPODNK-KDOFPFPSSA-N 344.455 2.881 0 50 EFAA O=C(NCCC1(O)CCC1)Nc1ccc(Oc2ncccn2)cc1 408516331 ISXMJNHMNXYWKX-UHFFFAOYSA-N 328.372 2.696 0 50 EFAA CN(CC(=O)OC(C)(C)C)C(=O)c1cncnc1-c1ccccc1 281896947 UAFRKTISOOWILG-UHFFFAOYSA-N 327.384 2.557 0 50 EFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c(C)nn3cccnc23)cc1 684774770 WFAPMAFVLFLWTB-JKSUJKDBSA-N 336.395 2.722 0 50 EFAA CC(C)c1cnc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)s1 192392001 CGPADTRMQSVTQF-AWEZNQCLSA-N 344.440 2.972 0 50 EFAA C[C@@H](Nc1ccc2c(c1)nnn2C)c1cccc(N2CCOCC2)c1 647331948 NHMGISJJWZMASV-CQSZACIVSA-N 337.427 2.978 0 50 EFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@@H](c2ccccc2)C1 1506398704 RSFZHGKFQUSFFA-LJQANCHMSA-N 339.439 2.821 0 50 EFAA CC(C)[C@@H]1COCc2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21 213025891 NHVOEIHMPSFDNH-ZETCQYMHSA-N 334.268 2.583 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)Cc1ccc(Cl)cc1Br 237598182 CWPDRHNQBIVZGJ-JOYOIKCWSA-N 345.668 2.983 0 50 EFAA CCc1ccccc1OCCN1CC(=O)N[C@@H](Cc2ccccc2)C1 1772704358 SYGPCNUNAFAUKT-IBGZPJMESA-N 338.451 2.671 0 50 EFAA COc1cccc(CC(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772818117 MJQVLIPQDPVZOE-UHFFFAOYSA-N 326.396 2.745 0 50 EFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CCN(C1CCOCC1)C2 15069203 OPOGMXKCHMJOLL-FQEVSTJZSA-N 346.446 2.819 0 50 EFAA O=C(C1CCCC1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 15065073 CSRZTWXLAZSPSV-HXUWFJFHSA-N 341.455 2.613 0 50 EFAA CCc1ccc(-n2nnc(C(=O)Nc3nnc(CC)s3)c2C)cc1 16577749 SVJMGQCRQCCMEX-UHFFFAOYSA-N 342.428 2.804 0 50 EFAA Cc1ccc(C2=NOC3(CCN(C(=O)c4ccsc4)CC3)N2)cc1 169754963 ZRYQDEJEMMMNOO-UHFFFAOYSA-N 341.436 2.970 0 50 EFAA C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nn(C)cc1O 1653242577 MGDQZMOTAACGKD-LLVKDONJSA-N 338.411 2.977 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC(c3ccn[nH]3)CC2)c(C)s1 153227860 PDJJHKFPQUNHAK-UHFFFAOYSA-N 325.459 2.656 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@H](Cc1ccccc1)C(=O)OCC 1857666471 MXCHQFBWHCWGRT-LVCYWYKZSA-N 347.455 2.969 0 50 EFAA CCOc1cc2c(cc1CN1CCN3C(=O)OC[C@]3(CC)C1)CCC2 1857677017 PKQCOGFFLMNNRE-FQEVSTJZSA-N 344.455 2.991 0 50 EFAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cnn1C(C)(C)C 237754060 QDSCWHAHHQHBLO-SNPRPXQTSA-N 333.432 2.804 0 50 EFAA COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CCCO1 424530245 SXHISOLYWWPHCO-SNVBAGLBSA-N 328.206 2.675 0 50 EFAA Cn1ncc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1-n1cccc1 225445180 LPFSTIAYPXITDP-UHFFFAOYSA-N 344.758 2.815 0 50 EFAA CC[C@@]1(C)CN(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)CCO1 225503318 VXICUNLTWBQDFW-QAPCUYQASA-N 345.447 2.637 0 50 EFAA COCc1csc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 115242857 XECRLTBMPLVDAB-LLVKDONJSA-N 339.461 2.513 0 50 EFAA CCc1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)on1 253606079 IRPWFVDVJISKDZ-AEFFLSMTSA-N 339.439 2.860 0 50 EFAA O=C1CC[C@H](C(=O)NCc2cccc(OC(F)F)c2)n2cccc21 683958991 ITODUIRWJQHWAS-CQSZACIVSA-N 334.322 2.924 0 50 EFAA C[C@@H](CCc1cccn1C)NC(=O)c1ccncc1Br 157209038 KCMSSAJKQMVSIW-NSHDSACASA-N 336.233 2.934 0 50 EFAA C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1)c1nnnn1C1CC1 791922656 UHJLJMRIDYXTQN-MRVPVSSYSA-N 341.749 2.631 0 50 EFAA O=S(=O)(Cc1ccccc1F)NCC1(c2ccccn2)CCC1 375618043 LUAAIIGFAWZUPR-UHFFFAOYSA-N 334.416 2.762 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 900355667 XUWGEMRQEOTBNG-OAHLLOKOSA-N 340.427 2.679 0 50 EFAA C[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1cc(Cl)cc(Cl)c1F 830386024 HVPZMIIZABGRJF-HQJQHLMTSA-N 348.205 2.853 0 50 EFAA O=S(=O)(C[C@H]1CCCC(F)(F)C1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 2325782599 LQNIRQSIJNISSA-MJBXVCDLSA-N 349.443 2.643 0 50 EFAA CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(c2cc(C)no2)CC1 2325818196 GJEOGDKORVOALB-ZBFHGGJFSA-N 347.459 2.774 0 50 EFAA Cc1cccc(CN2CCN(c3ncnc4sccc34)CC2=O)c1 32537331 UDQDBZYREIPEDL-UHFFFAOYSA-N 338.436 2.849 0 50 EFAA CCOC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 55717 YSXGTWQHCFHNGJ-INIZCTEOSA-N 327.336 2.642 0 50 EFAA aggregator CCc1cc2c(N3CCN(c4ccccn4)CC3)ncnc2s1 198591 KGADSAGDWSKRGE-UHFFFAOYSA-N 325.441 2.975 0 50 EFAA Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1 416258 PZIGJQXOJMRTQM-UHFFFAOYSA-N 342.424 2.526 0 50 EFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 528591 QSRHYWLLVFRAMQ-UHFFFAOYSA-N 336.388 2.765 0 50 EFAA O=C(CCc1ccccc1)NC(=S)Nc1ccc2c(c1)COC2=O 2862263 RZOQIJPWJHPDJO-UHFFFAOYSA-N 340.404 2.803 0 50 EFAA Cc1nc(O)nc(C)c1CCC(=O)NCc1cccc2ncsc12 2356160354 OLMVGRHKQATQRT-UHFFFAOYSA-N 342.424 2.658 0 50 EFAA CC(C)NC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 4742228 KIXVTLIQVAKHSF-UHFFFAOYSA-N 332.425 2.767 0 50 EFAA CSc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)cc1 4944540 BWZIAKPNIFSZOR-NSHDSACASA-N 347.465 2.698 0 50 EFAA CCn1cncc1CNC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 55211795 UIWWIYNILJRDJA-CYBMUJFWSA-N 348.406 2.721 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 8742706 NYICJEZGSRZSKD-QGZVFWFLSA-N 340.379 2.657 0 50 EFAA O=C(CSc1nnc(Cc2ccccc2)[nH]1)N[C@@H]1C[C@H]2CC[C@H]1C2 101948558 FTAILBJBCFGKJB-SOUVJXGZSA-N 342.468 2.792 0 50 EFAA C[C@@H](NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3)c1ccccc1 100331704 UVILXWZMEDEBBV-GFCCVEGCSA-N 334.375 2.754 0 50 EFAA biogenic CN(c1ccc(C(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O 10449586 IDUQTLSNPSUPPG-UHFFFAOYSA-N 344.436 2.675 0 50 EFAA CCN(Cc1ccc(-c2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 65398238 FUTRPPUZJIVHBU-KRWDZBQOSA-N 330.453 2.758 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)CC[C@H]1CCCCN1C 65495056 YKWQURMOFXNLJR-CQSZACIVSA-N 332.473 2.914 0 50 EFAA CNc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)ccn1 65531360 QUCBEOAVSZNSBQ-UHFFFAOYSA-N 335.411 2.890 0 50 EFAA COc1cc(/C=C/C(=O)N2CC[C@H](N)C[C@@H]2C)cc(Cl)c1OC 237167142 NNMCSPVZHHEYHA-JQBPPHQNSA-N 338.835 2.709 0 50 EFAA CCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)n1 252677439 YTDMDFLKSDGBFY-VNHYZAJKSA-N 334.464 2.710 0 50 EFAA COc1cc(C(=O)N2CC[C@@H](N)C[C@H]2C)ccc1OC1CCCC1 237244805 GGPBCCRQROPFIM-UKRRQHHQSA-N 332.444 2.968 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2cccn2CCC(C)C)CCO1 328647659 UDNOELPJPUPFTF-KRWDZBQOSA-N 331.464 2.719 0 50 EFAA COc1ccccc1OCc1cc(C(=O)NCc2ccccc2)n[nH]1 67642072 BSCKNQGIXLOTSM-UHFFFAOYSA-N 337.379 2.927 0 50 EFAA O=C(CCC1CCN([C@@H]2CCSC2)CC1)NCc1cccnc1 12318333 XOEVVMQYYYHFKC-QGZVFWFLSA-N 333.501 2.696 0 50 EFAA Nc1nn(-c2ccccc2)nc1C(=O)OCc1c(F)cccc1Cl 1429456 AFIWFRFPKFERHE-UHFFFAOYSA-N 346.749 2.999 0 50 EFAA CC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)[C@]1(C)O 1432049 MFKLLAQUAVKHSB-CQSZACIVSA-N 346.305 2.583 0 50 EFAA CO[C@@H](CNC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1ccc(F)cc1 173667248 FYTJNZSRSOUEOD-YOEHRIQHSA-N 346.406 2.826 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)c(C)n1Cc1ccccc1 237707770 YRZNYOFPTWFNGV-INIZCTEOSA-N 326.396 2.700 0 50 EFAA CC(C)(O)[C@H]1CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 125915385 SKHZQZCRNDFYBE-OAHLLOKOSA-N 338.814 2.795 0 50 EFAA CC(C)[C@@H]1OCC[C@@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 487699659 WPNQPLSMXDDLEU-SKDRFNHKSA-N 329.326 2.616 0 50 EFAA CCC(CC)n1ncc(C(=O)N2CC[S@](=O)C(C)(C)CC2)c1C 331611478 IVNDHTKOSSCFJW-QHCPKHFHSA-N 339.505 2.926 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)OCCO2)OCc1ccccc1 6282296 YUIPCSYZJGWSNP-INIZCTEOSA-N 343.335 2.510 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[nH]1 361055338 WIBDZGONAQWLEY-MRXNPFEDSA-N 336.395 2.845 0 50 EFAA O=C(c1cc[nH]c1)N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 77522297 NMXWWMMQIUVMPE-IBGZPJMESA-N 329.444 2.802 0 50 EFAA COc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)c(C)n1 129346986 OFUVOBYESYJHON-IBGZPJMESA-N 343.427 2.686 0 50 EFAA Cn1cc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c(C2CCCCC2)n1 332808824 SZVWNJKQKPEXOR-HNAYVOBHSA-N 347.459 2.536 0 50 EFAA COc1ccc(CCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 38848955 VIJWEVSWMKAHLW-UHFFFAOYSA-N 335.407 2.913 0 50 EFAA COc1cc(NC(=O)c2cnn(CCN3CCCCC3)c2)ccc1F 368735541 CXUJZPNEQMHTHW-UHFFFAOYSA-N 346.406 2.769 0 50 EFAA CC[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nc(C)no1 72420931 QCSQKVNUMXDCIQ-HNNXBMFYSA-N 331.416 2.963 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC[C@@H]1C[C@H](O)c1ccco1 240668568 HNMORUMSSXSVQG-MTSZKFMLSA-N 348.443 2.835 0 50 EFAA OC[C@@]12CCC[C@@H]1CN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 72165148 ZIOMQIQIPDZGFO-NQIIRXRSSA-N 348.450 2.991 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 339437362 PALPMILLTLMTDN-DZGCQCFKSA-N 329.327 2.503 0 50 EFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1coc2ccccc12 376158906 RNSQNBWMTFLNGA-MRXNPFEDSA-N 339.395 2.915 0 50 EFAA Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC[C@@H]1C(N)=O 32093647 CLVCKKLOSHIUOX-GFCCVEGCSA-N 349.843 2.862 0 50 EFAA CCOc1cc(CN2CCCC[C@@H]2C(=O)NC)c(Cl)cc1OC 215012345 PQPIAIYKACAAPV-CQSZACIVSA-N 340.851 2.848 0 50 EFAA COc1c(C)cc(C(=O)[C@H]2CCCN(c3nccc(N)n3)C2)cc1C 71759650 XOKSIXJIKVQPLY-AWEZNQCLSA-N 340.427 2.784 0 50 EFAA CCOCc1nc2c(c(N[C@H](CC)c3cccnc3)n1)CCNCC2 72470511 ARFKXYCSUIGEJP-MRXNPFEDSA-N 341.459 2.660 0 50 EFAA COc1ccccc1OC1CCN(C(=O)CCn2ccc(C)n2)CC1 77455788 KNVUVXSJDQKBQU-UHFFFAOYSA-N 343.427 2.660 0 50 EFAA CCc1nc(C)c(C(=O)N2CCN(Cc3cccc(C)c3)CC2)o1 72480401 ZCDOAGACAGOGTN-UHFFFAOYSA-N 327.428 2.812 0 50 EFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)n1 288961829 AYPLLKRQYUPOHD-OAHLLOKOSA-N 328.416 2.935 0 50 EFAA CCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O 82107792 VMUYDDHUFBKBEF-GDBMZVCRSA-N 346.406 2.612 0 50 EFAA O=C(c1ccoc1)N1CCC(N[C@H]2COc3ccc(F)cc3C2)CC1 290484392 XLYTURLNUFJGDF-QGZVFWFLSA-N 344.386 2.617 0 50 EFAA C[C@@H]1CCCN(CCOc2ccccc2CN2CCCN(C)CC2)C1 223298749 FXXKTRXKNZKSAA-LJQANCHMSA-N 345.531 2.935 0 50 EFAA COc1ccc(CCNC(=O)c2cccc(-c3ncn[nH]3)c2)cc1F 179445176 VFKDQPQXVHVDHW-UHFFFAOYSA-N 340.358 2.592 0 50 EFAA Cc1ccccc1COC1CN(C(=O)c2cc(CC(C)C)nn2C)C1 91626095 KYRHYOXBCWZPMG-UHFFFAOYSA-N 341.455 2.968 0 50 EFAA Cc1[nH]cnc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C 95375273 AOQOKYGMKPAQAL-KRWDZBQOSA-N 338.455 2.699 0 50 EFAA O=C(O)[C@H](c1ccc(O)cc1)N1CCCN(Cc2cccs2)CC1 95388450 GGCNKBABAHRKLL-KRWDZBQOSA-N 346.452 2.787 0 50 EFAA COc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1O 95390789 KUIXJGQSSVHABY-HZPDHXFCSA-N 344.455 2.737 0 50 EFAA COCCCN1CC2(CCN(C3Cc4ccccc4C3)CC2)CC1=O 95360178 OZAWAOZKFZVLLE-UHFFFAOYSA-N 342.483 2.505 0 50 EFAA O[C@H]1C[C@@H]2CN(Cc3ccc(-c4ccccc4)s3)C[C@@H]2C[C@@H]1O 97635174 PCJUJORQNUGCOI-MVJTYMMSSA-N 329.465 2.979 0 50 EFAA Cc1ccc(-c2cc(C(=O)NC[C@H](CO)Cc3ccsc3)[nH]n2)o1 91255441 ONOMFCFUQXCQCA-CYBMUJFWSA-N 345.424 2.621 0 50 EFAA CCCCN1CCc2[nH]cnc2C12CCN(Cc1cc(C)no1)CC2 91269623 BQULEEQNNPCLCH-UHFFFAOYSA-N 343.475 2.856 0 50 EFAA Cn1ncnc1CCNC(=O)c1sc2cccc(F)c2c1Cl 91877237 AQDMLIPUCHJAEN-UHFFFAOYSA-N 338.795 2.795 0 50 EFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)CCc2c(C)nn(C)c2C)C1 91830101 LFXFRSDQPKBWTL-FQEVSTJZSA-N 347.503 2.927 0 50 EFAA COc1ccc2oc(CNC(=O)c3nn(C)c4ccccc34)nc2c1 244828618 TZOCXKYNJSSKDL-UHFFFAOYSA-N 336.351 2.653 0 50 EFAA CC(=O)N(Cc1ccc(NC(=O)c2cc(C(=O)O)co2)cc1)C(C)C 183794019 CAGVZYMPKRCKAR-UHFFFAOYSA-N 344.367 2.987 0 50 EFAA COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(O)c2)cc1 261493863 KXYOOBUDIXLGJW-UHFFFAOYSA-N 333.409 2.754 0 50 EFAA Cc1cccc(N2CCC(NCc3noc([C@@H]4CCCO4)n3)CC2)c1 534673851 FCIWUJOYKXRUPE-KRWDZBQOSA-N 342.443 2.988 0 50 EFAA O=C(NCc1cc2n(n1)CCN(CC1CCCCC1)C2)C1CCC1 299783600 WMZRKGAGDDQAOG-UHFFFAOYSA-N 330.476 2.695 0 50 EFAA Cc1cc2nc(CN(C)C(=O)NCc3snnc3C)[nH]c2cc1C 584897340 AFNVKOXJGFXFTR-UHFFFAOYSA-N 344.444 2.681 0 50 EFAA Cc1nc(C)c(C(=O)N2CCCN(C(=O)c3ccc(C)s3)CC2)o1 940073276 IWNOFTFYZVTPEE-UHFFFAOYSA-N 347.440 2.650 0 50 EFAA CCc1cncc(C(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)c1 1875265388 HEYLZAFRZLBXLZ-UHFFFAOYSA-N 327.775 2.552 0 50 EFAA O=C(NC1CN(C(=O)c2ccc(-c3ccccc3)cc2F)C1)C1CC1 1875263703 AYMWHPQFTVLDGH-UHFFFAOYSA-N 338.382 2.843 0 50 EFAA c1c(C23CC4CC(CC(C4)C2)C3)nnn1Cc1noc2c1COCC2 1875282091 MKJQLNDRGVTAEV-UHFFFAOYSA-N 340.427 2.855 0 50 EFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOC2(CCNCC2)C1 952988678 KFWDCBXBKYAFRQ-UHFFFAOYSA-N 332.488 2.574 0 50 EFAA Cn1cc(NC(=O)N2CCOC3(CCC3)C2)c(-c2ccccc2)n1 272348107 JQCLUDJNWOSOLD-UHFFFAOYSA-N 326.400 2.874 0 50 EFAA COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]1c1ccc(N)nn1 886096993 UXMPGXCNFCDWKI-CQSZACIVSA-N 346.818 2.627 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccoc2Cl)C1 886031589 BDKFJPLMQHHVDG-WCQYABFASA-N 336.775 2.637 0 50 EFAA CN(Cc1cc(Cl)cn1C)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886074755 UOANCZMZWCFJFW-CABCVRRESA-N 336.823 2.528 0 50 EFAA Cn1cc(-c2nc3n(c2NC(=O)COC2(C)CCC2)CCCC3)cn1 889843429 XSXSFVKECAZZFZ-UHFFFAOYSA-N 343.431 2.518 0 50 EFAA Cc1ccccc1CC(=O)N1C[C@@](O)(C(F)(F)F)c2cccnc21 1776000034 KUYNZEYGVIDAOX-INIZCTEOSA-N 336.313 2.729 0 50 EFAA Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1=O 1436288717 VUZGWGZTDDYAQU-UONOGXRCSA-N 334.322 2.729 0 50 EFAA COC[C@H]1[C@H](NC2CCN(c3ccc(F)cc3C)CC2)[C@H]2CCO[C@H]21 1565513385 MDJWSHPKXDEWEE-PIKOESSRSA-N 348.462 2.742 0 50 EFAA O=C(NCc1ccnc(OCC2CC2)c1)NC1Cc2ccccc2C1 186561618 OKLKZWHXOZEJGG-UHFFFAOYSA-N 337.423 2.837 0 50 EFAA O=C(NCCc1csc(O)n1)c1ccc(C2CCOCC2)cc1 640170622 NJUAJGFBWZZKAY-UHFFFAOYSA-N 332.425 2.715 0 50 EFAA COc1ccc(Nc2nc(C(=O)N3C[C@@H](C)C[C@@H](O)C3)cs2)cc1 412776895 ZIJMATFDUVBQPH-WCQYABFASA-N 347.440 2.738 0 50 EFAA COC[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 225635261 UEBZIWTXEHURHV-ROUUACIJSA-N 328.412 2.727 0 50 EFAA C[C@H]1CN(C(=O)CC2CCC3(CC2)OCCO3)c2cccnc2O1 191207954 POVAREHDUWOYHQ-ZDUSSCGKSA-N 332.400 2.519 0 50 EFAA CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2)CC1 191871494 KRMPZTUKKPMKGS-UHFFFAOYSA-N 347.459 2.956 0 50 EFAA COc1c(C)cc(S(=O)(=O)N(C)Cc2cnc(C)s2)cc1C 193950660 PRWOKNUYJBAMMZ-UHFFFAOYSA-N 340.470 2.898 0 50 EFAA Cc1cc([C@H]2CCN(c3nc(O)c4c[nH]nc4n3)C2)c(O)cc1Cl 664526154 UNLIGWJEVZEHSB-VIFPVBQESA-N 345.790 2.720 0 50 EFAA COc1cccc2c(N3CCC[C@@H](C(=O)NC(C)C)C3)nccc12 664588181 TZDMXSHXJBLWRP-CQSZACIVSA-N 327.428 2.984 0 50 EFAA CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c(Cl)cnn2C)C1 668573359 XIYURLVWPBRPBB-LBPRGKRZSA-N 326.872 2.704 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3nncn3c1)[C@@H]2C 679768605 DJKKTQUUCUPOOJ-CHWSQXEVSA-N 336.395 2.886 0 50 EFAA CC1=CC2(CCN(C(=O)Cc3cnc4c(C)cccn34)CC2)OCC1 1704297631 UQMACHMYYMDWGR-UHFFFAOYSA-N 339.439 2.913 0 50 EFAA CCc1nc(C2CCN(Cc3ccco3)CC2)n([C@H]2CCOC2)n1 1772804751 STPNERTUQQTKRQ-HNNXBMFYSA-N 330.432 2.775 0 50 EFAA Cc1nc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cs1 12193395 WTAWONMTFASIDR-SFHVURJKSA-N 347.484 2.706 0 50 EFAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3nnc(C)s3)ccc21 12324673 QFZHWQGMDBAAAE-UHFFFAOYSA-N 328.397 2.742 0 50 EFAA O=C(CC1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12437429 XQCRHKRLJJMSHM-FQEVSTJZSA-N 344.430 2.967 0 50 EFAA O=C1N(Cc2ccccc2F)CCC[C@@]12CCN(C1CCOCC1)C2 12455793 DVMAIOHXDBALAS-FQEVSTJZSA-N 346.446 2.819 0 50 EFAA CN(CCN(C)C1CCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12597617 BDSMFSUWPGLICC-INIZCTEOSA-N 349.519 2.500 0 50 EFAA COc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1OC 13669776 HWAGRTXGUAYNPA-HUUCEWRRSA-N 334.460 2.802 0 50 EFAA CC[C@H](C(=O)N1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13712979 RZVAEGLCJOPXOL-MRXNPFEDSA-N 338.473 2.552 0 50 EFAA COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 14400765 CJHWUNYUXQRFGQ-UHFFFAOYSA-N 340.423 2.504 0 50 EFAA O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)C1CCOCC1 15079480 YHVXKLLFVOZRLT-LJQANCHMSA-N 330.472 2.626 0 50 EFAA CCOC(=O)[C@@H]1CCCN(Cc2nc(N)c3ccc(Cl)cc3n2)C1 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O=C(O)C[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCO1 238050021 ZNAZVQSENVAGEK-KRWDZBQOSA-N 339.391 2.521 0 50 EFAA CSCC(=O)NC[C@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 11839284 FSBCINKJNFFAIA-OAHLLOKOSA-N 328.437 2.840 0 50 EFAA CCSc1cccc(CNc2ncnc(-n3cccn3)c2N)c1 488667829 BSAXJOFYBRGDNM-UHFFFAOYSA-N 326.429 2.969 0 50 EFAA CCC[C@]1(C(=O)O)CN(C(=O)c2csc3ccccc23)CC[C@H]1O 1704326188 XDUNGAUBXWODQO-QAPCUYQASA-N 347.436 2.979 0 50 EFAA CCOc1ncc(C)cc1NC(=O)N1CC[C@H](c2noc(C)n2)C1 931583673 PHRANDMZOGOYOM-LBPRGKRZSA-N 331.376 2.502 0 50 EFAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(F)c3occc23)C1 935894867 AATMLKQBSBBVMC-YGRLFVJLSA-N 344.346 2.601 0 50 EFAA O=C(NCCOC1CCCCC1)c1ccncc1Br 268636666 QDWBUXUCQLHISF-UHFFFAOYSA-N 327.222 2.923 0 50 EFAA O=C(O)CC1CCN(C[C@@H](O)c2ccccc2Br)CC1 846269004 SMZWNDQQUZNNNT-CQSZACIVSA-N 342.233 2.669 0 50 EFAA N=c1[nH]c2cccc(C(=O)N[C@H]3CC(=O)Nc4ccccc43)c2s1 2100483946 UGQNGFPARQHNPU-ZDUSSCGKSA-N 338.392 2.522 0 50 EFAA COc1ccc2c(c1)c(/C=C1/OC(=O)c3c1cc(C)[nH]c3=O)cn2C 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Cc1cc2nccnc2cc1C(=O)N[C@@]1(c2ccccc2)CCNC1 2325826251 VRJOQNRUSMBPCR-FQEVSTJZSA-N 332.407 2.557 0 50 EFAA CN(C)C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 83536 ZGIDAEATDCPNNP-UHFFFAOYSA-N 335.787 2.792 0 50 EFAA COC(=O)c1cc(NC(=O)c2cccc(F)c2)cc(C(=O)OC)c1 443681 BLCQUUOCKZMHSV-UHFFFAOYSA-N 331.299 2.651 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)[C@@H](C)C2)c(F)c1 464341 CDLKKVADCGAYSB-LBPRGKRZSA-N 330.359 2.972 0 50 EFAA Nc1cncc(-c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2)n1 2356138721 QLZNSOJZJDSKAS-INIZCTEOSA-N 332.363 2.589 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356147780 OWXMAPOTVFWDII-IBGZPJMESA-N 347.459 2.616 0 50 EFAA CCCNc1ccc(C(=O)N2CC[C@H](O)[C@](CCC)(C(=O)O)C2)cc1 2356152037 NQNXPGONQIFXIQ-QFBILLFUSA-N 348.443 2.586 0 50 EFAA CCCOc1ccc(C(=O)N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cc1 2356164487 VACZLBPQMADPMQ-BBWFWOEESA-N 344.455 2.804 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C(N)=O)C23CC4CC(CC(C4)C2)C3)cc1 4006231 RVXTZIYTPFSFIV-SOZFHFLDSA-N 326.440 2.795 0 50 EFAA Cc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)no1 8024342 SGCIPBCGPWBLGT-UHFFFAOYSA-N 339.317 2.964 0 50 EFAA CCC[C@@H](CC(=O)O)NC(=O)CCC(=O)Nc1cc(C)ccc1F 55403120 NKFHFGVRHOGBCN-LBPRGKRZSA-N 338.379 2.612 0 50 EFAA Cc1ccc(C)c(OCCN(C)C(=O)CC2=CSC3=NCCN23)c1 102784070 FGCJQOXGPLOGPZ-UHFFFAOYSA-N 345.468 2.791 0 50 EFAA Cc1ccc2oc(-c3ccc(NC(=O)Cn4cnnn4)c(C)c3)nc2c1 55199744 JJHPFUDZDAHNOA-UHFFFAOYSA-N 348.366 2.737 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1F 348262589 RDVNPYQBCYBWIP-NVXWUHKLSA-N 347.361 2.850 0 50 EFAA CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(OC)CC1 283371452 FBGGFEPHOXFAFU-UHFFFAOYSA-N 346.431 2.501 0 50 EFAA C[C@@H](NC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1nc(C(C)(C)C)no1 173525767 KPERCGQHBSMKCC-NEPJUHHUSA-N 346.435 2.740 0 50 EFAA Cc1nnnn1-c1ccccc1C(=O)Nc1ccc2c(ccn2C)c1 170625711 XUYZEAWSEZNJQF-UHFFFAOYSA-N 332.367 2.715 0 50 EFAA Cc1nscc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 252484052 FMZISPINJAFGSB-UHFFFAOYSA-N 345.468 2.855 0 50 EFAA C[C@@H](NC(=O)c1cccc2c1OCC2)c1nc(-c2cccnc2)no1 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339.399 2.531 0 50 EFAA Cc1cnc2c(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)cccc2c1 230059538 VKRBSXOCMSOBRA-CVEARBPZSA-N 346.452 2.875 0 50 EFAA Cn1cnnc1SCC(=O)N1CCC[C@H](c2ccccc2)CC1 66762580 GIWZKFWFFMKSQM-HNNXBMFYSA-N 330.457 2.704 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CCO[C@H](c2nnc(C)o2)C1 328612383 OOOAFSQFZMEJDV-HNNXBMFYSA-N 341.367 2.900 0 50 EFAA O=C(CCc1cccnc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72133388 NNNWHKZUHJGFEP-OAQYLSRUSA-N 349.478 2.716 0 50 EFAA COc1cccc(C[C@@H]2CN(Cc3ccccc3C(=O)O)CCO2)c1 71758878 JBIDLXCJKQVHCQ-GOSISDBHSA-N 341.407 2.837 0 50 EFAA CC[C@@H]1CN(C(=O)c2cc(C)no2)CCC(=O)N1Cc1ccccc1 71497771 QCYKNJPLJQFCSQ-MRXNPFEDSA-N 341.411 2.636 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccccc2C(F)(F)F)C1 284509538 HXPLGJABVLUBHK-YPMHNXCESA-N 326.322 2.786 0 50 EFAA CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1 7618291 BBUOBJZATCZBPW-UHFFFAOYSA-N 333.442 2.537 0 50 EFAA C[C@@H](OC1CCCCCC1)C(=O)N1CCNC[C@H]1c1ccncc1 333336235 XDDZPCLLXYKNRY-QAPCUYQASA-N 331.460 2.682 0 50 EFAA COc1cc2c(cc1-c1nccn1CCSc1cn[nH]n1)CCC2 71774597 HQPQCSKJKQMQQS-UHFFFAOYSA-N 341.440 2.958 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@]4(CCOC4)C3)cc2F)n1 154736333 IKAMRDDZPCZNII-LJQANCHMSA-N 343.402 2.881 0 50 EFAA Cc1c(NC(=O)N[C@@H](C)c2cnn(C)c2)noc1-c1ccccc1F 366141486 ZIDRAGDVGPLJKJ-NSHDSACASA-N 343.362 3.405 0 50 EFAA C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(n2nnc3c2CCCC3)CC1 367156620 LPKPLIGGLISRJW-GDBMZVCRSA-N 328.460 2.923 0 50 EFAA NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)C1 367526191 VJAVSQSYCRVESO-QGZVFWFLSA-N 345.402 2.849 0 50 EFAA Cc1noc(C2CN(C(=O)c3ccc(N(C)c4ccccc4)nc3)C2)n1 370132701 OTKGFMZXUQOSEJ-UHFFFAOYSA-N 349.394 2.781 0 50 EFAA O=C(Cc1cccnc1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261885978 VAXOFPMOBJBHHS-KRWDZBQOSA-N 341.480 2.857 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cccs1 238184472 HKPICACHRIKJDP-CQSZACIVSA-N 341.392 2.880 0 50 EFAA COc1ccc([C@H]2CCCN2C(=O)CNCC(F)(F)F)cc1C 374949073 RQBQLGHPXCBOEB-CYBMUJFWSA-N 330.350 2.819 0 50 EFAA C[C@]1(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCCCO1 77456905 OHKUNUPYXYREHK-LJQANCHMSA-N 334.435 2.819 0 50 EFAA CCOc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)ccc1O 39447979 FIJDKEZRUWTUPP-GOSISDBHSA-N 348.487 2.602 0 50 EFAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)C(=O)CC(C)C)C1 72162645 UYGUUJSKZRUTKT-QGZVFWFLSA-N 331.460 2.510 0 50 EFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H](C)C(C)C)C1 77485404 CFJHZYDTZXMRPM-ZDUSSCGKSA-N 339.443 2.900 0 50 EFAA CCCc1nnc2sc(Cc3cc(OC)c(OC)c(OC)c3)nn12 71615286 WFAWONMKSZJRDP-UHFFFAOYSA-N 348.428 2.755 0 50 EFAA O=c1c2cnc3ccnn3c2ccn1CCc1c[nH]c2ccccc12 40387584 GVAMYAUHBDDNBJ-UHFFFAOYSA-N 329.363 2.768 0 50 EFAA Cc1nc2ccccn2c1CC(=O)NCc1nc(-c2ccccc2)no1 71768031 IVWDLOINJNHWGV-UHFFFAOYSA-N 347.378 2.552 0 50 EFAA CC(C)[C@@H]1CN(Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 71735830 LWYSKBMHUOOZTN-KRWDZBQOSA-N 332.492 2.933 0 50 EFAA CC(=O)Nc1nc(CN2CCC(F)(c3ccccn3)CC2)cs1 289017106 ACWNYXSHTZMYJK-UHFFFAOYSA-N 334.420 2.957 0 50 EFAA Cc1nc(C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc(=O)[nH]1 82120283 HSPVSRFZWOABJZ-KRWDZBQOSA-N 337.423 2.514 0 50 EFAA COc1cccc([C@@H]2CCCN2C(=O)CCc2nc(Cl)n[nH]2)c1 82160647 HQPOUZGJWVEZCA-ZDUSSCGKSA-N 334.807 2.763 0 50 EFAA COc1cccc(SCC(=O)NCc2cnc(SC)n2C)c1 220100304 WIZUZAKVJDMPJO-UHFFFAOYSA-N 337.470 2.559 0 50 EFAA C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 292376168 ZMRGIIZIVYDMND-YRGRVCCFSA-N 344.502 2.806 0 50 EFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3nccc(OC)n3)cc2)C1 426485496 ADYYIIILSQEJFO-AWEZNQCLSA-N 341.411 2.651 0 50 EFAA COc1ccc(F)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 20994977 NMNBKMAXVMUBQI-KRWDZBQOSA-N 336.451 2.646 0 50 EFAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1coc(-c2cccs2)n1 182615379 HKHLGTXXUAUGNT-GXTWGEPZSA-N 340.470 2.849 0 50 EFAA Cn1c(=O)cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c2ccccc21 426383305 OOFGTZSXEHICAN-MRXNPFEDSA-N 348.402 2.832 0 50 EFAA CC(C)n1cccc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91754641 MIAIHPVBLOVBIF-FQEVSTJZSA-N 343.471 2.934 0 50 EFAA CCCc1nc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)cs1 91586234 UAZYLHNQULCOOS-LBPRGKRZSA-N 345.472 2.759 0 50 EFAA Cc1ccc2cc(C(=O)NC[C@H]3CCCN3c3cccnn3)ccc2n1 269550877 OBCLLOKSPONAFD-QGZVFWFLSA-N 347.422 2.732 0 50 EFAA COc1ccc2nc(CCNC(=O)c3cc(CC(C)C)no3)[nH]c2c1 91831091 CRHJPPDSSDSROW-UHFFFAOYSA-N 342.399 2.731 0 50 EFAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426409218 XPDYNRNZWWZNGK-KRWDZBQOSA-N 340.427 2.757 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCCc2noc(C3CCCC3)n2)C1 95382250 WEFAIHLFMFDMIP-GOSISDBHSA-N 334.464 2.508 0 50 EFAA CC(C)N1CCO[C@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 97797621 HZAKYGNHZVSUQR-GOSISDBHSA-N 343.471 2.599 0 50 EFAA Cc1nc2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cc2nc1C 95384569 VHWSYITWTKNFRU-MRXNPFEDSA-N 349.438 2.996 0 50 EFAA O=C(Cc1ccccc1)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96162021 ZAZOOTSQTJILRZ-INIZCTEOSA-N 341.411 2.522 0 50 EFAA O=C(NC[C@@H]1OCCc2ccccc21)c1cc(=O)[nH]c2ccccc12 91546966 MWFQVLJLMKFGNB-SFHVURJKSA-N 334.375 2.572 0 50 EFAA CC(C)(C)c1nsc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)n1 296340427 CFYOMGYTRZJEDT-SECBINFHSA-N 335.437 2.713 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCOc2ccccc21 268955023 UDCFGRRYUSBLRH-SJORKVTESA-N 337.375 2.591 0 50 EFAA COc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2cncs2)cn1 91845982 ODVXKRAJHZNDTR-LBPRGKRZSA-N 342.424 2.698 0 50 EFAA O[C@H]1Cc2ccccc2[C@H]1NC1CCN(CCc2ccccc2)CC1 269123690 YEDRAURQEKBCNT-FCHUYYIVSA-N 336.479 2.941 0 50 EFAA Cc1c(C(=O)NCCCN2CCCC[C@@H]2CO)[nH]c2c(F)cccc12 97527897 GSRPXAOWMVYMSK-CQSZACIVSA-N 347.434 2.582 0 50 EFAA CCc1c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccnc3)C2)csc1C 91587438 FKCWKDIOXLOPNQ-LSDHHAIUSA-N 344.436 2.954 0 50 EFAA O=C(O)c1coc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 183794083 WPYZMISOMSUNTK-LLVKDONJSA-N 344.150 2.748 0 50 EFAA Cc1cc(Br)oc1C(=O)N[C@@H](C(=O)O)c1ccccc1 342368853 MGHVMGPUKFIMME-LLVKDONJSA-N 338.157 2.906 0 50 EFAA CC(C)c1nnc(C(=O)NCc2ccc(-n3cccn3)cc2)s1 253405473 MXZZOMTWQJKXAE-UHFFFAOYSA-N 327.413 2.777 0 50 EFAA O=C(NCCCc1ccccn1)N1CC[C@@H](Oc2ccccc2)C1 370903754 WSEBWWGODBVSDS-GOSISDBHSA-N 325.412 2.877 0 50 EFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc2c(nc1O)CCC2 299799115 QOMLLFAAOPENBR-CYBMUJFWSA-N 338.407 2.647 0 50 EFAA CNc1nc(NCc2c(C)cc(C)nc2OC)cc([C@@H]2CCOC2)n1 299783220 ZXCXIORZSKOTOW-CYBMUJFWSA-N 343.431 2.655 0 50 EFAA O=C(N[C@H]1COC2(CCCCC2)C1)c1nc(O)c2ccccc2n1 299773387 GSIUMDGAOWFVPS-GFCCVEGCSA-N 327.384 2.557 0 50 EFAA Cc1cc(C)n(CCNC(=O)Nc2cccc3c2CCCC3)c(=O)n1 299784126 OFTKIEHTYZDKTD-UHFFFAOYSA-N 340.427 2.561 0 50 EFAA Cc1csc([C@@H](C)CNC(=O)CC2=CSC3=NCCCN23)n1 299777228 BKAMBKBVNUGDEG-JTQLQIEISA-N 336.486 2.711 0 50 EFAA CC[C@@H](NS(=O)(=O)N1CCCCCC1)c1nc(C)c(C)s1 822668885 NJQHVPBFCVENAN-CYBMUJFWSA-N 331.507 2.921 0 50 EFAA Cc1cccnc1[C@@H]1CCC[C@H](NCc2cnn3c2CN(C)CC3)C1 952890145 VDEMNQQKEURSMT-AEFFLSMTSA-N 339.487 2.848 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c(C)cc1Cl 952888478 JUCZETSEXYYIQS-FZMZJTMJSA-N 334.807 2.583 0 50 EFAA CC1(C)COCC[C@@H]1Nc1cnn(Cc2cn3ccccc3n2)c1 1875285058 BOVZEIFOCGTTPZ-INIZCTEOSA-N 325.416 2.806 0 50 EFAA CC(C)CCC1CCN(C(=O)c2cnc3c(c2)NCC(=O)N3)CC1 1875335332 CHZBZVAUYWSONI-UHFFFAOYSA-N 330.432 2.734 0 50 EFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@H]1[C@H]2c3ccccc3C[C@H]21 1875304777 UYGDMDKOYCLGOB-GRGWGWTOSA-N 325.408 2.866 0 50 EFAA O=C(CCn1cnc2ccccc21)NCc1ccc(-c2ncon2)cc1 952968786 IHCBSGBJCXWVKK-UHFFFAOYSA-N 347.378 2.793 0 50 EFAA CC[C@H](NC(=O)c1cccc(NC(=O)C(C)C)c1)c1ccnn1C 952975226 CQZXOGYGNWABTO-HNNXBMFYSA-N 328.416 2.896 0 50 EFAA CCCN1C[C@H](NCc2cc3ccc(SC)cc3nc2O)CC1=O 952978836 YKJHWBSHCWRTPB-CQSZACIVSA-N 345.468 2.763 0 50 EFAA COc1ccc([C@@H](C)NC(=O)c2cc3n(n2)CCCC3=O)cc1C 887316904 JFNXMWJSKBHTDR-GFCCVEGCSA-N 327.384 2.668 0 50 EFAA CCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 38536943 BTQIKMVDGYVIBP-UHFFFAOYSA-N 332.141 2.766 0 50 EFAA in-vitro O=C(NCCNC(=O)c1ccccc1Cl)N[C@H]1C[C@@H]2CC[C@H]1C2 1565507191 DCGHGNKRUOAMTB-XUJVJEKNSA-N 335.835 2.558 0 50 EFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ncoc1-c1cccs1 170047890 RMRZSDRJKCTONA-LBPRGKRZSA-N 342.376 2.829 0 50 EFAA Cc1ccc(NC(=O)NCC2CCN(CC(F)(F)F)CC2)nc1 186759548 HVRWUGUIOVBKNZ-UHFFFAOYSA-N 330.354 2.786 0 50 EFAA COc1ccccc1OCCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 408470047 YIDVWWYMDDXHAO-AWEZNQCLSA-N 344.415 2.644 0 50 EFAA FC(F)(F)CN1CCC(CNCc2cccc3c2OCCO3)CC1 189471487 PXRCATNVLXLDRB-UHFFFAOYSA-N 344.377 2.822 0 50 EFAA c1ccc2c(OCCCn3cc([C@H]4COCCN4)nn3)cccc2c1 640988879 DLYZWORMUIFSRB-GOSISDBHSA-N 338.411 2.561 0 50 EFAA CNC(=O)c1sc2nc(Sc3ccccc3F)[nH]c(=O)c2c1C 225523974 ZQDZBBKJNFFINK-UHFFFAOYSA-N 349.412 2.943 0 50 EFAA CO[C@]1(c2nnc(COc3ccc4[nH]c(C)cc4c3F)o2)CCOC1 643649335 VNNYURNREZNMTL-QGZVFWFLSA-N 347.346 2.839 0 50 EFAA Cc1c([C@H](C)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C 191371016 RWESWHQXWFLKRS-CMPLNLGQSA-N 332.370 2.586 0 50 EFAA CCCCn1cc(CNc2cnc(N3CCCC3=O)cn2)c(C)n1 663769685 LMBSBNCXVVYRIZ-UHFFFAOYSA-N 328.420 2.521 0 50 EFAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)c2cccn2C2CC2)C1=O 1506405018 WVLKLYTWWJDPKE-NSHDSACASA-N 338.367 2.520 0 50 EFAA CCn1c(N[C@H](C)c2nc(C(C)C)no2)nc2cc(C(=O)O)cnc21 1506395952 KLWRBJRXUPCAGK-SECBINFHSA-N 344.375 2.829 0 50 EFAA Cc1cc(S(=O)(=O)N(C)CC2(CO)CCCC2)c(Cl)cc1F 1506406925 HQCUQSUTIUUVRB-UHFFFAOYSA-N 349.855 2.961 0 50 EFAA O=C(CCC1=NNC(=O)CC1)NCc1ccc(-c2ccc(F)cc2)o1 1506422397 OZNMZKPGZDGRBQ-UHFFFAOYSA-N 343.358 2.748 0 50 EFAA CN(CC[C@@H](O)c1ccccc1)c1ncccc1C(=O)N1CCCC1 1529098370 BVQUNAYTQSCHQL-GOSISDBHSA-N 339.439 2.878 0 50 EFAA O=C(CCc1cn[nH]c1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529186634 IWCJJAWBUDOQIB-ZWKOTPCHSA-N 325.412 2.721 0 50 EFAA O=C(CCc1cccs1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 212606464 XJIYIZMAUWJDHL-CABCVRRESA-N 342.468 2.598 0 50 EFAA Cc1[nH]cnc1C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212626020 GEABOUAOXDUOIY-MSOLQXFVSA-N 335.407 2.862 0 50 EFAA CN(C)c1nccnc1NC[C@@H](c1cccnc1)N1CCCCC1 1704302126 DRUHZLGPCDGRIS-INIZCTEOSA-N 326.448 2.577 0 50 EFAA COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)O)c(OC)c1 453032 POEAZFYWPKQKBW-MHWRWJLKSA-N 341.363 2.868 0 50 EFAA CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)c(OCC)c1 476669 VOXUWHWZMLUJDZ-UVTDQMKNSA-N 334.441 2.904 0 50 EFAA CN(C)c1nc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)ncc1F 1772712807 ZFIABUVSXVCNLU-NSHDSACASA-N 349.797 2.553 0 50 EFAA CC(C)(CN1CCOCC1)c1nccn1-c1ccc2c(c1)COC2 1772804500 BJHDKMHEXBZBIC-UHFFFAOYSA-N 327.428 2.512 0 50 EFAA CC(C)CCn1c(CN2CCC([C@H](O)CO)CC2)nc2ccccc21 1772707775 YNTIBVUTBGRIOJ-LJQANCHMSA-N 345.487 2.648 0 50 EFAA CC(C)Cc1nc([C@@H]2COc3ccccc3O2)n(-c2cnn(C)c2)n1 1772805232 ILVYSOYUOJYDGQ-INIZCTEOSA-N 339.399 2.712 0 50 EFAA CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cccnc2C)CC1 12443171 UYTNCQFRLSXIIT-UHFFFAOYSA-N 330.428 2.976 0 50 EFAA CN(C(=O)CCn1cccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 12708516 WQBVBKJLQJMSRF-QGZVFWFLSA-N 344.434 2.535 0 50 EFAA Cc1ccc(-n2nnnc2CSc2nc(C)cc(C)n2)c(C)c1 13624538 RLMGGADEWQHVDW-UHFFFAOYSA-N 326.429 2.978 0 50 EFAA CC(C)(C)C(=O)N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19315775 NXYYQONZMYUYCX-DTWKUNHWSA-N 331.671 2.614 0 50 EFAA COc1cccc(SCC(=O)NCc2nc3ncccc3o2)c1 1857667577 MKFMKTMYFLKUPV-UHFFFAOYSA-N 329.381 2.640 0 50 EFAA Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857679344 UXQGVYPVHNBDEH-QKLQHJQFSA-N 340.423 2.890 0 50 EFAA COc1cc(C)c(-c2nccn2C2CCS(=O)(=O)CC2)cc1C 1857726798 CRCKKWNQEDQTFZ-UHFFFAOYSA-N 334.441 2.925 0 50 EFAA CCOc1ccccc1CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 225658222 QFDCTGLFSMJSIS-AWEZNQCLSA-N 345.468 2.888 0 50 EFAA Cc1c(Cl)c(C(=O)N2CCC(F)(c3cccnc3)CC2)nn1C 421546623 WQQDBLJTWWECMG-UHFFFAOYSA-N 336.798 2.878 0 50 EFAA Cc1noc(COCC(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n1 230088479 WONCUQLLGQYMDD-XJKCOSOUSA-N 329.400 2.688 0 50 EFAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](C(=O)N(C)C)C1)CC2 331725695 NBNXQWBAAJSTQD-AEFFLSMTSA-N 343.471 2.917 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2ccoc2C2CC2)nn1 643887694 WPURWARDIJZNIU-OAHLLOKOSA-N 326.400 2.990 0 50 EFAA COc1ncnc(OC)c1C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 333706574 FTNPEAFIHDCGPH-AWEZNQCLSA-N 333.432 2.925 0 50 EFAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(c2ccnn2C)CC1 449905943 VQJVXEKOVXKODI-UHFFFAOYSA-N 349.438 2.840 0 50 EFAA 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CO[C@](C)(c1nc(-c2ccc(-n3c(C)c[nH]c3=O)cc2)no1)C1CC1 291135700 XACODCYYXMITHR-SFHVURJKSA-N 340.383 2.796 0 50 EFAA CC[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cccc1 426387087 LFWJETLIVPQZNV-HNNXBMFYSA-N 332.835 2.836 0 50 EFAA CCn1cnnc1CCn1ccnc1-c1cccc(-n2cccn2)c1 82096603 UYRPIIZVEAXPDW-UHFFFAOYSA-N 333.399 2.590 0 50 EFAA C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)CCO1 180122674 SQQIPMNSPXGGSI-ZRGWGRIASA-N 331.412 2.652 0 50 EFAA CC(C)(C)c1cc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n[nH]1 92098709 YQDPSZNHPOZPIX-HXUWFJFHSA-N 344.503 2.932 0 50 EFAA COc1cc(OC)c(CN(C)C2CCSCC2)c(C(=O)O)c1 97785329 HCLNHSUKTFOTJN-UHFFFAOYSA-N 325.430 2.729 0 50 EFAA CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cs1 91551830 KDPVOZJTYDDYMI-DZGCQCFKSA-N 342.468 2.842 0 50 EFAA Fc1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)cc1Cl 91656578 FAHAGACBECCMQF-UHFFFAOYSA-N 346.797 2.848 0 50 EFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccccc2-c2nnn[nH]2)C1 97324063 MUZCNOKKXBASPR-KZULUSFZSA-N 325.416 2.908 0 50 EFAA 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347.933 2.826 0 50 EFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cccc2ncccc12 1529172791 OOLKSFXTXLVJOY-BEFAXECRSA-N 333.391 2.617 0 50 EFAA COc1cc(F)c(CN2CCC3(CC2)C[C@](C)(O)CCO3)c(F)c1 1704327211 ADVRHKNXXMLTQL-QGZVFWFLSA-N 341.398 2.869 0 50 EFAA O=C(O)[C@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 128563597 KJAZDIYTOPUWMA-QMMMGPOBSA-N 330.153 2.525 0 50 EFAA O=S(=O)(c1cc2ccccc2s1)N1CCC[C@@H](C2(O)CC2)C1 1772816527 TVHRSKGWSVOLAJ-CYBMUJFWSA-N 337.466 2.827 0 50 EFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2=O)c1 12430039 JVZNTODILKRGGX-HXUWFJFHSA-N 343.471 2.928 0 50 EFAA CCC(CC)CN1CCC(n2cc(C(=O)N(CC)CC)nn2)CC1 14992546 YGOORZLCOKKCFB-UHFFFAOYSA-N 335.496 2.833 0 50 EFAA Cc1cc(C(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)n1C 15019474 JZUBLPLCTHHUJI-UHFFFAOYSA-N 332.787 2.904 0 50 EFAA COc1ccc(C(=O)N2CCO[C@@H](CC3CCCCC3)C2)c(OC)n1 15066210 FZWFYANDCDYUGZ-HNNXBMFYSA-N 348.443 2.910 0 50 EFAA O=C(NCCN1CCN(c2ccccc2F)CC1)Nc1ccccc1 16488022 CPPQMTKCRUPXRQ-UHFFFAOYSA-N 342.418 2.769 0 50 EFAA COc1ccc(-c2nc(CN(C)[C@@H]3CCOC3)c(C)o2)c(OC)c1 19595216 ANIHLRDMSALESP-CYBMUJFWSA-N 332.400 2.888 0 50 EFAA CC[C@]12COC(=O)N1CCN(C(=O)CCc1cccc(Cl)c1)C2 1857692228 VFALBGKTKLUXDN-KRWDZBQOSA-N 336.819 2.716 0 50 EFAA CC(C)=CCN1CCC2(CC1)CN(Cc1ccccn1)C[C@H]2C(=O)O 1857693584 CTJAHOOEZAVDPQ-SFHVURJKSA-N 343.471 2.646 0 50 EFAA Cc1ccc(F)c(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1F 1857725015 IVOVTQWJOTUJNG-GCVCFTOTSA-N 336.426 2.814 0 50 EFAA CCS(=O)(=O)c1ccccc1N1CCC[C@H](n2cc(C)cn2)C1 225518294 PHAJZSZVCASAQP-HNNXBMFYSA-N 333.457 2.827 0 50 EFAA NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 2655244 BYSDQCNRWOPELZ-UHFFFAOYSA-N 326.377 2.740 0 50 EFAA C[C@H]1CCc2sc(C(=O)N[C@@H](CCO)C3CCOCC3)cc2C1 332321668 OMBUXNUTMLUJOI-WFASDCNBSA-N 337.485 2.780 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 156398203 SILJMBSGZNNFQG-UHFFFAOYSA-N 345.424 2.545 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCc3ccccc3[C@H]2C(=O)O)n1 262402943 BESOVZUSKHGRRN-KDOFPFPSSA-N 341.411 2.662 0 50 EFAA CCn1ncc(CN[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)n1 901746232 MMJYELLKXHCJLW-CQSZACIVSA-N 343.214 2.694 0 50 EFAA O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccnn1C1CCC1 901896867 RUJFGTPUEMDZIN-UHFFFAOYSA-N 343.412 2.799 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)Nc1cncc(C(=O)O)c1)CCC2 902041028 UBXZOWXLRSKDBP-HNNXBMFYSA-N 326.352 2.847 0 50 EFAA Cc1nc(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cs1 832998133 FHEWXHPCOHZIIG-MRXNPFEDSA-N 330.409 2.595 0 50 EFAA Cc1c([C@H](C)NCCc2ccc3c(c2)OCCO3)cnc2ccnn12 2325722037 DMRCHLUSEAQFES-ZDUSSCGKSA-N 338.411 2.702 0 50 EFAA O=C1CC[C@H](COC(=O)c2cc3c(nc4ccccn43)s2)CCN1 2325751384 JGCZYGDAVJSQPW-NSHDSACASA-N 343.408 2.622 0 50 EFAA O=C([C@H]1CCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC2(CC2)C1 2325797129 OKJMRRDMZSHTEW-QAETUUGQSA-N 342.483 2.959 0 50 EFAA C=CC(=O)N(C)CC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 861503886 QNRIZNRXUUMVCL-MQMHXKEQSA-N 340.345 2.712 0 50 EFAA Cc1cc(-n2ccnc2)ccc1CN1CCC2(CC1)C[C@@H](O)CCO2 933058030 ULBYRJBLRRJJIY-IBGZPJMESA-N 341.455 2.687 0 50 EFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCSC1=O 463089 FUBUTIUKVPKMEL-XVKPBYJWSA-N 334.224 2.909 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2=O)cc1 2662518 FPHQEMGOHKHRFA-UHFFFAOYSA-N 338.363 2.837 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 2860312 SDZMQTIHCZHOIE-UHFFFAOYSA-N 346.814 2.954 0 50 EFAA Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 2995583 FANGMQMMLNUDBU-UHFFFAOYSA-N 326.396 2.746 0 50 EFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3cccnc3)n21 2356157733 OQYKFOCVPDTQOC-LBPRGKRZSA-N 337.358 2.583 0 50 EFAA COc1cccc(OCCOCCn2cnc3ccccc3c2=O)c1 4383921 ITECULYKNOUTLP-UHFFFAOYSA-N 340.379 2.501 0 50 EFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)c(Cl)c1 4454785 NROADHXPYXEVBC-UHFFFAOYSA-N 334.734 2.843 0 50 EFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(F)c(Cl)c1 4549295 TWDLWVQWZDYOMO-UHFFFAOYSA-N 331.738 2.771 0 50 EFAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(C2CCCCC2)C1 4814448 CUQPHLHZDFJXCO-ZDUSSCGKSA-N 344.411 2.578 0 50 EFAA CC[C@@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 4870219 FSOZNPFCONLNMJ-LLVKDONJSA-N 337.221 2.897 0 50 EFAA COC(=O)c1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1 6703931 JVPIBNNNMHVCQK-UHFFFAOYSA-N 335.363 2.970 0 50 EFAA CCSc1nc(CC(=O)N(C)CCCc2nccn2C)cs1 55342559 WCCSJFONKIYLCQ-UHFFFAOYSA-N 338.502 2.622 0 50 EFAA CC(C)[C@@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67447414 YSXVXOJWIIJEJF-OAHLLOKOSA-N 335.354 2.752 0 50 EFAA Cn1cc([C@@H]2CCCN2C(=O)NCCc2cc3ccccc3[nH]2)cn1 136680974 BKOVWJRZNWUVTM-SFHVURJKSA-N 337.427 2.991 0 50 EFAA Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC1CC1 10371364 VAIAFPQXHSCFAU-UHFFFAOYSA-N 330.409 2.688 0 50 EFAA O=C(Nc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)C1CCCCC1 67673034 SLWVSHIKKCKFDM-OAHLLOKOSA-N 344.459 2.729 0 50 EFAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1cnn2ccccc12 348830232 DLKWWSNTJVTLNU-SFHVURJKSA-N 348.450 2.629 0 50 EFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc2nccnc2c1 20513474 AXOLSKCAEZCPQX-IBGZPJMESA-N 343.390 2.998 0 50 EFAA Cc1nc(CC(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1 65376262 HEJKOEKJCXPMIT-QGZVFWFLSA-N 334.416 2.608 0 50 EFAA COc1ccc(CCNC(=O)CN2CCC[C@@H]2c2cccnc2)cc1 1506416828 MOOFAMOECWMMPQ-LJQANCHMSA-N 339.439 2.586 0 50 EFAA C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nccn1Cc1ccccc1 359323054 PLGBAVKCXNUXML-DOTOQJQBSA-N 327.428 2.705 0 50 EFAA Cc1csc(NC(=O)CSCc2nc3ccccc3c(=O)[nH]2)n1 20719533 LTXPRDFVCUVJHH-UHFFFAOYSA-N 346.437 2.560 0 50 EFAA c1ccc([C@@H]2OCCC[C@@H]2CNC[C@H]2CNc3ccnn3C2)cc1 252463420 NLVLERBSIUTMJT-WDYCEAGBSA-N 326.444 2.682 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NCc1cccc2cn[nH]c12 252477923 XUZTXJJJPVTKBR-OLMNPRSZSA-N 328.460 2.542 0 50 EFAA Cc1cccc(C(=O)N(Cc2cncnc2)[C@@H]2CCCNCC2)c1C 328633496 MCBOJHRNMXLPMH-GOSISDBHSA-N 338.455 2.878 0 50 EFAA COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)c1 1399077 YVIVQKLHOKIPGJ-UHFFFAOYSA-N 335.363 2.579 0 50 EFAA NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 284217374 FDVTXYFUGDRJPV-QMMMGPOBSA-N 347.749 2.671 0 50 EFAA Clc1ccccc1CN1CCN(c2ncnc3[nH]ccc23)CC1 360780168 DYPXICQWEYTRQL-UHFFFAOYSA-N 327.819 2.934 0 50 EFAA c1ncn(C2CCCC2)c1CN1CCCC[C@@H]1CN1CCOCC1 77520429 SRUYTCWVQYGBTB-GOSISDBHSA-N 332.492 2.685 0 50 EFAA O=C(NC[C@H]1CCCS1(=O)=O)c1cc2c(ccc3ccccc32)[nH]1 153995098 QYMOECJSRCJBAZ-CYBMUJFWSA-N 342.420 2.628 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ncccc2C)cc1 71315230 GDADRCIERJKJLX-ZDUSSCGKSA-N 347.440 2.643 0 50 EFAA COCC1(N(C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 215455483 DWZBAMTZELIPII-UHFFFAOYSA-N 345.531 2.662 0 50 EFAA CCCCNC(=O)C1(N2C[C@H](C)O[C@H](C)C2)Cc2ccccc2C1 72135213 XFFWVDGJZUSQGZ-IYBDPMFKSA-N 330.472 2.550 0 50 EFAA CN1CCN(C(=O)COc2ccc(F)cc2F)c2ccc(F)cc21 174442793 HROFCFXFSIKZRU-UHFFFAOYSA-N 336.313 2.966 0 50 EFAA O=C1NC[C@]2(CCCN(Cc3cc4c(cc3Cl)OCO4)CC2)O1 72159450 QATQSFFMYGPAKJ-MRXNPFEDSA-N 338.791 2.533 0 50 EFAA COc1ccnc(N2CCC[C@H]2C(=O)N2CCC[C@H]2C2CCCC2)n1 371173638 QDSLAFNZCRYSTK-HOTGVXAUSA-N 344.459 2.635 0 50 EFAA O=C(Cc1cc2ccccc2s1)N1CC[C@@](O)(C(F)(F)F)C1 449972066 CRYCWBFBAHAIQF-AWEZNQCLSA-N 329.343 2.970 0 50 EFAA CCc1ncsc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 157311806 GSXDRKKRSAKVFV-NSHDSACASA-N 345.424 2.706 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 373212498 QNSINCUSHJJTCP-UHFFFAOYSA-N 344.390 2.974 0 50 EFAA COc1cccc2c1OCCCN(C(=O)Cc1csc(C)n1)C2 72479501 FPCKWZYJGXGRIC-UHFFFAOYSA-N 332.425 2.814 0 50 EFAA CCCCc1nc(CN2CCN(Cc3ccccc3F)C(=O)C2)c[nH]1 72152474 ZOOAVSSEZYTZNZ-UHFFFAOYSA-N 344.434 2.736 0 50 EFAA CCc1nn(C)cc1NC(=O)N1CCOC[C@@H]1c1ccc(F)cc1 455059489 CUXCFGNWOMVXFK-MRXNPFEDSA-N 332.379 2.727 0 50 EFAA Cc1cc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc(C)n1 77375788 RPXZZIAATIZKPE-UHFFFAOYSA-N 339.439 2.816 0 50 EFAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 263245518 CZFMIGMSEYBCQR-IEBDPFPHSA-N 331.290 2.620 0 50 EFAA CC(C)=CCN1CCN(Cc2c(C)nc3sccn23)C[C@H]1CCO 39490357 PVMKWYZVTWMGAW-MRXNPFEDSA-N 348.516 2.539 0 50 EFAA Cc1nc([C@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc(=O)[nH]1 72147953 CTELFHDDYIBAEC-HNNXBMFYSA-N 349.438 2.710 0 50 EFAA CC(C)Cc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)nc(N)n1 220144448 YTFOMWNUYRECRQ-UHFFFAOYSA-N 344.463 2.550 0 50 EFAA COc1cccc(F)c1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O 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2.578 0 50 EFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1(C(N)=O)CCCCC1 91858154 HAVMAOFJILNPSP-AWEZNQCLSA-N 340.423 2.912 0 50 EFAA CCc1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)on1 95357106 IRPWFVDVJISKDZ-FUHWJXTLSA-N 339.439 2.860 0 50 EFAA COc1ccc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1OC 95749247 UEFALPDJWGKKDN-LBPRGKRZSA-N 339.388 2.614 0 50 EFAA CNC(=O)CNC(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 95522064 BRRIGUFQZRQDFM-INIZCTEOSA-N 330.815 2.724 0 50 EFAA CNC[C@H]1CCCN1C(=O)CCc1ccccc1Br 237222917 ZQEOFQIEPUATLK-CYBMUJFWSA-N 325.250 2.592 0 50 EFAA COc1cc(/C=C/C(=O)N2CCC(CN)CC2)ccc1OCC(C)C 297164109 JWXWDACXSZZDLS-FNORWQNLSA-N 346.471 2.941 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCc1nc(C)c(C)s1)C2 91725823 JGDRKDWFNNWYQO-CQSZACIVSA-N 346.452 2.679 0 50 EFAA Cc1cccc(CSCCCNC(=O)[C@H]2CCCN(C(N)=O)C2)c1 91872261 JDDITDZKASWENP-INIZCTEOSA-N 349.500 2.525 0 50 EFAA COCC[C@]1(CO)CCCN(C2CCN(c3ccccc3)CC2)C1 91644331 JIVKIYIMHCRWKJ-HXUWFJFHSA-N 332.488 2.766 0 50 EFAA CN1CCC[C@H](CCC(=O)NCCCn2ncc3ccccc32)C1 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Cc1ccc2oc(C(=O)NCCNC(=O)c3cccnc3)c(C)c2c1 77534937 JCZGPNPNIZFWHE-UHFFFAOYSA-N 337.379 2.604 0 50 EFAA Cc1cc(N(C)Cc2nccn2Cc2ccccc2)n2nccc2n1 72426744 VVYYXXGNWDSSHT-UHFFFAOYSA-N 332.411 2.919 0 50 EFAA CC(C)CS(=O)(=O)CC(=O)N1c2ccccc2SC[C@@H]1C 176650108 WMUFQLIOTXIWAL-LBPRGKRZSA-N 327.471 2.585 0 50 EFAA C[C@H]1CCc2sc(C(=O)NCc3nnc4n3CCCC4)cc2C1 41138954 PITHTODPTIFPNA-NSHDSACASA-N 330.457 2.731 0 50 EFAA CC(C)(C)NC(=O)c1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 229511857 QCSSWNHVHQEEEJ-IRXDYDNUSA-N 343.471 2.572 0 50 EFAA CC(C)(C(=O)N1CCC=C(F)C1)S(=O)(=O)c1ccc(Cl)cc1 288575983 RTYRPMZGPBOIIQ-UHFFFAOYSA-N 345.823 2.978 0 50 EFAA COc1ccc(CC(=O)N2CCC(CCn3cccn3)CC2)cc1 82108173 HHDJEHXQNCOYKR-UHFFFAOYSA-N 327.428 2.763 0 50 EFAA Cc1ccc(S(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)c(C)c1 177518582 TYNISRPQIVUQJH-AWEZNQCLSA-N 335.469 2.867 0 50 EFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N[C@@H]1C[C@@H](CO)N(C)C1 426414802 VBIYYJSRTSMEPJ-OLZOCXBDSA-N 348.830 2.703 0 50 EFAA COCC1(NC(=O)c2cccc(-c3ccc(N)nc3)c2)CCCC1 426535304 YOSLHQHGDZEYEI-UHFFFAOYSA-N 325.412 3.020 0 50 EFAA COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1OC 179355165 HAMHJLBMUFIOOO-CQSZACIVSA-N 344.415 2.508 0 50 EFAA Cn1cc(CN(C(=O)c2cccc(-c3nccn3C)c2)C2CC2)cn1 426389510 UMJBGRJPIIWWBG-UHFFFAOYSA-N 335.411 2.625 0 50 EFAA CCc1c(C)nn(CCNC(=O)Nc2ccc3c(c2)OCCO3)c1C 96162092 FNAFPYUQVRSIMD-UHFFFAOYSA-N 344.415 2.655 0 50 EFAA CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)c1ncc(C)[nH]1 91380825 AUIVKHQCQGXDAL-CQSZACIVSA-N 339.399 2.998 0 50 EFAA Cc1cc(Cl)cc(C)c1NC(=O)N(CCO)Cc1nccn1C 96136194 MSURBKQCVZRNMW-UHFFFAOYSA-N 336.823 2.717 0 50 EFAA COc1ccccc1N1CC[C@H](NC(=O)c2cc(C)cs2)C1=O 295183083 TVWDOXMOBXANCT-LBPRGKRZSA-N 330.409 2.600 0 50 EFAA O=C(O)[C@@H]1CN(C2CSCCSC2)C[C@H]1c1ccc(F)cc1 91391130 DZQSZATUUIPMPR-LSDHHAIUSA-N 341.473 2.774 0 50 EFAA CCc1cc(C(=O)NCCCc2nc3ccc(C)cc3o2)cc(=O)[nH]1 97743139 NKDBAOLWLQACEU-UHFFFAOYSA-N 339.395 2.750 0 50 EFAA Cc1nc(CCN2CCc3nnc(-c4ccccc4)n3CC2)cs1 244873251 WMQGFRVOBRHPLY-UHFFFAOYSA-N 339.468 2.811 0 50 EFAA O=C(O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@H](O)C1 244724663 MYFZEOAVJACEDX-QGZVFWFLSA-N 345.370 2.523 0 50 EFAA N[C@H]1C[C@@H](c2nnc(COc3cccc4cccnc34)n2C2CC2)C1 244778627 PTXDAUXOAYXHBC-OKILXGFUSA-N 335.411 2.945 0 50 EFAA CO[C@@H]1C[C@H](O)[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 257346343 YOFGKSLUPIZZOA-BAFUAVLFSA-N 336.472 2.555 0 50 EFAA CCN1CCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)CC1 534633976 RWZANVOYCUCOOD-UHFFFAOYSA-N 334.423 2.779 0 50 EFAA Cc1nonc1CC(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 827856187 RKUWFWSEUCZVGW-OAHLLOKOSA-N 343.358 2.991 0 50 EFAA C[C@H](NC(=O)c1ccn2nccc2n1)c1ccc(C(F)(F)F)nc1 1154172014 WQPVZFBOTHPCKZ-VIFPVBQESA-N 335.289 2.634 0 50 EFAA C[C@H](C(=O)N1[C@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1cn(C)c2ccccc12 1875286533 XQSVFCUNSAWUMU-JRATXPSKSA-N 326.396 2.746 0 50 EFAA OC[C@H](O)c1cccc(-c2ccc(OCC(F)(F)F)cc2F)n1 1875291940 QUQAEZLDDUBGGC-AWEZNQCLSA-N 331.265 2.855 0 50 EFAA COc1ccc([C@H]2CCCN(C(=O)C3(C(=O)O)CC=CC3)C2)cc1F 1875291885 OTTIZVBKGUQCDU-AWEZNQCLSA-N 347.386 2.961 0 50 EFAA Cc1nnsc1[C@H](C)Nc1cnn(Cc2cn3ccccc3n2)c1 1875285767 YNMGGYSVGODRPP-NSHDSACASA-N 339.428 2.912 0 50 EFAA COC(=O)/C=C/CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 1875333522 ZPBQNJNDQYBNPX-RORWEDLISA-N 325.364 2.652 0 50 EFAA COC(=O)c1cc(OC[C@H]2C[N@]2CC2CC2)cc(C(F)(F)F)c1 1875385153 NJKXYYMBJXQYDB-XCLFUZPHSA-N 329.318 2.965 0 50 EFAA O=C(CCc1cccc(F)c1F)NC1(c2ncccn2)CCOCC1 886937510 GPNCGSZBOQEQBB-UHFFFAOYSA-N 347.365 2.510 0 50 EFAA Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C(=O)O)C3)CC2)c1 1565530635 CINVWIFSVLSWNG-CABCVRRESA-N 330.428 2.581 0 50 EFAA C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 1565531426 ORWAGOGGOKXJCR-WRKODIPTSA-N 342.483 2.785 0 50 EFAA CCS(=O)(=O)Cc1nc(Cc2csc(-c3ccccc3)n2)no1 273784551 UFSOYFWWHAOHHL-UHFFFAOYSA-N 349.437 2.719 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)c1ncoc1-c1ccc(F)cc1)CC2 274627226 YCEKLEPUYYVMTQ-GJZGRUSLSA-N 329.375 2.789 0 50 EFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CCO1 276296960 NSTCFZMFVYVMRL-GXSJLCMTSA-N 325.821 2.785 0 50 EFAA C[C@@H](NC(=O)[C@H](O)c1ccccc1Cl)[C@@H](O)c1ccc(F)cc1 305718778 NYYXRTCBOITVCY-UHNFBRDESA-N 337.778 2.751 0 50 EFAA COc1cccc(CNc2nnc(CCOc3ccccc3)o2)n1 191538855 OFTGWHWBNVESMP-UHFFFAOYSA-N 326.356 2.707 0 50 EFAA Cc1csc(N(C)C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)n1 194660916 TVPLDXUHYXEGPT-CHWSQXEVSA-N 346.456 2.737 0 50 EFAA CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 195326685 WRQNNUDXAFKXOW-UONOGXRCSA-N 334.441 2.764 0 50 EFAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCc2nccnc2C1 659803827 OWFCLCIBWXFRMD-CQSZACIVSA-N 338.194 2.967 0 50 EFAA Cc1ccc([C@H](NC(=O)Cn2nc(C)cc2N)c2cccnc2)c(C)c1 1506424927 DFYKUKIWFZGUET-HXUWFJFHSA-N 349.438 2.691 0 50 EFAA Cc1ncsc1CCN(C)C(=O)c1ccc(N2CCCC2=O)cc1 1506397255 KFNHDGPFDUVGRG-UHFFFAOYSA-N 343.452 2.893 0 50 EFAA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)nc(O)n1 1506413691 TYUQZRCMONJABQ-INIZCTEOSA-N 326.400 2.753 0 50 EFAA O=C(O)c1cccc(CN[C@@H]2CCCN(Cc3cccs3)C2)n1 1506404416 UCRACJMEHGJTQE-CQSZACIVSA-N 331.441 2.596 0 50 EFAA CO[C@@H](C(=O)N1CCC(c2ccnc(O)c2)CC1)c1ccccc1 1772817623 GPNNJOMWBKUFBR-GOSISDBHSA-N 326.396 2.881 0 50 EFAA Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)c1 5002354 YBYFJKJNROHJKQ-MRXNPFEDSA-N 325.412 2.506 0 50 EFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3c[nH]c(C)n3)C2)c(OC)c1 19227734 IUJCELFOUXHHSP-CQSZACIVSA-N 343.427 2.830 0 50 EFAA CO[C@@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3F)CC2)CC[C@H]1N 1857727518 VFXOMFYGJRBDAH-QXAKKESOSA-N 348.462 2.749 0 50 EFAA CCCCCN(C)C(=O)[C@@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857730204 LWQLEAMWYWCMOK-GFCCVEGCSA-N 338.477 2.663 0 50 EFAA CCc1nccc(-c2nccn2-c2ccc(N3CCOCC3)cc2)n1 1857738047 PEJADDGRRMUISQ-UHFFFAOYSA-N 335.411 2.728 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@@]1[C@H](Cc1ccccc1)C(=O)OC 1857741691 ZYGMIKNTEYHYNG-UWVAXJGDSA-N 333.428 2.578 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccc(F)cc2F)c1 225739167 MZKUGBRNZJVKPI-MAUKXSAKSA-N 347.361 2.850 0 50 EFAA CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1nnc2ccccn12)C(C)C 230147831 VSBVKYFBEGGRNR-FMKPAKJESA-N 345.447 2.683 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2CCCc3sccc32)C1 328608825 BJOIJFNXCKQXRZ-IACUBPJLSA-N 347.440 2.848 0 50 EFAA CCOC(=O)Cc1cnc(N(C)C(=O)c2cc(Cl)cn2C)s1 328600188 WMXAHBJZSLBLPE-UHFFFAOYSA-N 341.820 2.517 0 50 EFAA Cc1ccc(F)c(C(=O)N(Cc2cncnc2)[C@H]2CCCNCC2)c1 435405449 NOMYVIGWHAHGSC-INIZCTEOSA-N 342.418 2.709 0 50 EFAA O=C(C1CCNCC1)N1CCC[C@@H](COc2ccccc2Cl)C1 237925296 NSMJJUCNAFLGMQ-CQSZACIVSA-N 336.863 2.957 0 50 EFAA CN(Cc1ccc(OCc2ccccn2)cc1)C1(CO)CCOCC1 252485999 HGWITEVBGCITSJ-UHFFFAOYSA-N 342.439 2.634 0 50 EFAA O=C([C@H](O)Cc1c(F)cccc1Cl)N1CCCc2occc2C1 356571009 WNNRPDKBHHFAFP-OAHLLOKOSA-N 337.778 2.951 0 50 EFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)CC(C)(C)C(=O)O)C2)c1 367391415 CNVUQWINBSVKFY-GFCCVEGCSA-N 335.400 2.521 0 50 EFAA Cc1[nH]nc(NC(=O)[C@H]2CCn3c(cnc3C)C2)c1-c1ccccc1 377783614 QYWXVDUPQHDCIR-HNNXBMFYSA-N 335.411 3.091 0 50 EFAA C[C@]1(O)CCCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 390833580 JQYGVMYNXTYPFS-IBGZPJMESA-N 342.443 2.818 0 50 EFAA Cc1csc(C)c1S(=O)(=O)Nc1cncc(N2CCCC2)n1 903626131 CSMSQQNRVPKZJC-UHFFFAOYSA-N 338.458 2.556 0 50 EFAA CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@@]2(C)C=CCC2)s1 906079101 XWUXUGJZKKFHMT-AWEZNQCLSA-N 343.474 2.515 0 50 EFAA Oc1cccc2sc(CN3CCN(Cc4ncc[nH]4)CC3)cc12 2325761968 OMAVQDRGQUINHS-UHFFFAOYSA-N 328.441 2.648 0 50 EFAA CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(C(N)=O)ccc1F 2325784893 RWZBCQAGWJGTID-AWEZNQCLSA-N 326.371 2.727 0 50 EFAA CC[C@H](NC(=O)N1CCN(C)C(=O)[C@@H]1c1ccccc1)C(F)(F)F 2325789865 SNIYUCAZMYEXIO-STQMWFEESA-N 343.349 2.552 0 50 EFAA COCCn1nc(-c2ccccc2)nc1[C@@H]1CCN2CCC[C@H]2C1 2325849676 XKJOUCGGTJTZGX-SJORKVTESA-N 326.444 2.933 0 50 EFAA CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O 30497 QXDKEVPMNFLNRR-UHFFFAOYSA-N 336.391 2.720 0 50 EFAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cccnc1 66939 VFLMELZKKFEGEM-KRWDZBQOSA-N 347.378 2.662 0 50 EFAA O=C(CSc1nnc2sc3ccccc3n12)NCc1ccco1 125910 ATZUYLZSVOGEAL-UHFFFAOYSA-N 344.421 2.946 0 50 EFAA COc1ccc(N2C[C@H](C(=O)NCc3ccccc3C)CC2=O)cc1 314169 JOVZZRRXHWNQEN-MRXNPFEDSA-N 338.407 2.673 0 50 EFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(F)cc1 1207391 HKVJUNYZHAHHLW-CQSZACIVSA-N 334.372 2.649 0 50 EFAA COc1ccc(-c2c(NC(=O)CCc3ccnn3C)n[nH]c2C)cc1 2356151088 QOLYOFYGDLWNOW-UHFFFAOYSA-N 339.399 2.699 0 50 EFAA CCc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 4953261 FDIBFOYDFYAMDV-UHFFFAOYSA-N 329.425 2.552 0 50 EFAA CCn1c(C[C@@H]2C(=O)N(C)c3ccccc32)nc2ccccc2c1=O 101375211 ZZCPNNOSKBHBIW-HNNXBMFYSA-N 333.391 2.719 0 50 EFAA CCc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CC=CCC3)C2)ncn1 112509075 JFWCZUHYUSQMLR-DOTOQJQBSA-N 343.475 2.663 0 50 EFAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 101752955 AUNDLLMWDDFCML-ILRDRHFLSA-N 349.386 2.776 0 50 EFAA O=c1[nH]c(NCCCO)nc2c1C1(CCCC1)Cc1ccccc1-2 8667243 AOPXEMVTRDRQPY-UHFFFAOYSA-N 325.412 2.599 0 50 EFAA Cc1nn(CCC(=O)N(Cc2ccccc2)C[C@@H](C)CO)c(C)c1C 55131641 GAJXFJVTAKGIBN-OAHLLOKOSA-N 343.471 2.856 0 50 EFAA CO[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)C1 248498546 OJDUKLPCOFWCBC-HZSPNIEDSA-N 337.441 2.854 0 50 EFAA CN(Cc1ccn[nH]1)c1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 23380504 MAEQQUCNKOWLIM-UHFFFAOYSA-N 349.373 2.828 0 50 EFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1cn2c(n1)SCC2 55183232 XDPXESUXHCIQII-OAHLLOKOSA-N 346.456 2.504 0 50 EFAA CCc1nc([C@H](C)NC(=O)NC2(c3noc(C)n3)CCC2)cs1 116550127 IRNIYURNBMMJIN-VIFPVBQESA-N 335.433 2.837 0 50 EFAA COc1ccc(NC(=O)c2cc(C)[nH]c(=O)c2)c(NC(=O)C(C)C)c1 55153621 AKFZLLLUPYRASM-UHFFFAOYSA-N 343.383 2.539 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)NCc1ccc2c(c1)OCCCO2 67091008 BEOZHHHJZMBTBD-UHFFFAOYSA-N 345.399 2.794 0 50 EFAA CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 20453618 LUNFOEMAKVVEPY-NSHDSACASA-N 329.404 2.728 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 20455313 CKCFYNGYESJWFP-UHFFFAOYSA-N 335.411 2.713 0 50 EFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)CO[C@H]3CCC[C@@H](C)C3)C2)n1 229665497 QRHAXCVTZMCIKT-XYPHTWIQSA-N 334.464 2.654 0 50 EFAA CC[C@H]1CCCCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 229662209 KQPGQQSOPRGNSW-ZQIUZPCESA-N 327.490 2.976 0 50 EFAA C[C@@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 237334611 PJQHGZPBGRBYNA-GXFFZTMASA-N 345.317 2.511 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1OCCc2ccccc21 121750740 NJIRMDGGHFHWKR-ZDUSSCGKSA-N 325.290 2.698 0 50 EFAA C[C@@H](N)CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 430758993 CAODDPVXYNREHT-DYVFJYSZSA-N 340.402 2.770 0 50 EFAA CCc1ccccc1-c1noc(-c2coc(S(=O)(=O)N(C)C)c2)n1 355819720 LVXMEILMWZAOKT-UHFFFAOYSA-N 347.396 2.809 0 50 EFAA CC(=O)Nc1cccc([C@H](C)NC(=O)c2cnc([C@H](C)O)s2)c1 253405608 OOPXVHQZGBJRJC-UWVGGRQHSA-N 333.413 2.646 0 50 EFAA CN(c1cc(Br)ccn1)[C@H]1CCCN(c2cccnn2)C1 253430261 YBQKDUNZYGKXCR-ZDUSSCGKSA-N 348.248 2.739 0 50 EFAA C[C@@]1(NS(=O)(=O)c2ccc3c(c2)CCCC3)CCO[C@@H]1C1CC1 329642925 ISMQQAWSWRQRHU-QZTJIDSGSA-N 335.469 2.801 0 50 EFAA Cn1ccnc1C(=O)[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 77319224 FVOMIALBOOOGMQ-AWEZNQCLSA-N 337.383 2.569 0 50 EFAA O=C(O)[C@@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 71745330 ZYJAYILKPQLOMC-QGZVFWFLSA-N 333.338 2.669 0 50 EFAA Cc1ccc(-n2nccc2NC(=O)C[C@@H]2OCCc3ccccc32)nn1 155729270 IELLUMIEXNVVSK-INIZCTEOSA-N 349.394 2.613 0 50 EFAA COCC1(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CCC1 285060081 CWOIYPAWUIXVMB-UHFFFAOYSA-N 346.406 2.829 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 154619563 HFYYUNNYELOLLR-QGZVFWFLSA-N 337.895 2.650 0 50 EFAA O=C(c1cncc(-c2ccccn2)c1)N1CCc2ccccc2[C@@H]1CO 364300331 CIGFBQZQAXLGDR-FQEVSTJZSA-N 345.402 2.876 0 50 EFAA C[C@@H]1CN(Cc2cnc3ccccn23)CCN(CC(F)(F)F)C1 449661481 CDBIJZSSGRGVEV-CYBMUJFWSA-N 326.366 2.650 0 50 EFAA Cc1cc(C(=O)Nc2ccc(OCC(=O)O)c3ccccc23)no1 237880117 KLEOCDCFQCOIMK-UHFFFAOYSA-N 326.308 2.852 0 50 EFAA CN(C)c1ccc(CN2CCCC[C@H]2CCN2CCCC2=O)cn1 77386247 AEXUVIDQGYKWKY-KRWDZBQOSA-N 330.476 2.515 0 50 EFAA CN1CC[C@](C)(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72448136 DDJRMUGZIPQICQ-FQEVSTJZSA-N 332.488 2.804 0 50 EFAA C[C@H](O)CCN(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 241775936 RQKGOCGTLJOQAV-LEWSCRJBSA-N 341.249 2.717 0 50 EFAA Cc1occc1SCC(=O)Nc1cc(-n2cnnn2)ccc1Cl 131535418 YQCGLKKXMWFQQH-UHFFFAOYSA-N 349.803 2.948 0 50 EFAA Cc1ncc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 71278835 DCQUHFLFCAAVST-LSDHHAIUSA-N 332.425 2.531 0 50 EFAA Cc1cccc(CNC(=O)CN2CCN(c3ccccc3F)CC2)c1 244223077 WAZQAXRCUAEKCH-UHFFFAOYSA-N 341.430 2.573 0 50 EFAA CCc1cnc(C)nc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72140396 DJNBVZOYXPPWBB-KRWDZBQOSA-N 342.418 2.742 0 50 EFAA Cc1cc(N2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2)ccn1 222681773 WVROTLVITSIHAX-INIZCTEOSA-N 349.438 2.650 0 50 EFAA Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccn1 220791047 XYLPKCDRAAYATL-OAHLLOKOSA-N 348.362 2.978 0 50 EFAA Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 223085416 KIUHGAVYEKCFDU-SFHVURJKSA-N 326.444 2.731 0 50 EFAA C[C@H](Cc1cnccn1)NC(=O)C(C)(C)Oc1ccc2c(c1)CCC2 222526536 HBQJAGXRQDMKKC-CQSZACIVSA-N 339.439 2.870 0 50 EFAA Cc1nc2cc(C(=O)N3CCCN(c4ccncc4C)CC3)ccc2[nH]1 82171062 ICIUEFWCBUCNJG-UHFFFAOYSA-N 349.438 2.927 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N(C)Cc2cnc3ccccc3n2)n1 426652961 PGXHJOYOZCXUCK-AWEZNQCLSA-N 335.411 2.869 0 50 EFAA CSCCCN1C[C@H](C2CC2)[C@@H](NC(=O)c2cc(C3CC3)on2)C1 91794378 PDIOAJLKSVIMPX-ZBFHGGJFSA-N 349.500 2.745 0 50 EFAA CC(=O)N[C@H](CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 180721006 OGGLPOARMKGLIP-BFQNTYOBSA-N 338.835 2.543 0 50 EFAA CN1CCN(C(=O)c2ccnc(-c3ccc(-c4ccn[nH]4)cc3)c2)CC1 97604261 MYJCKLKIOXJDFV-UHFFFAOYSA-N 347.422 2.526 0 50 EFAA CC[C@@H](O)Cn1nc(-c2ccc(O)cc2)nc1CCc1cccnc1 91737568 CPFOYJYLYNOXAB-MRXNPFEDSA-N 338.411 2.602 0 50 EFAA CN(CCCC(=O)O)C(=O)C1(c2ccccc2Cl)CCOCC1 237254047 AZKRNWJCQWPMKL-UHFFFAOYSA-N 339.819 2.711 0 50 EFAA CN(C)[C@H]1CCN(Cc2ccc3ccn(C)c3c2)C[C@H]1CCCO 91808939 QEVHUUDTYRFNRG-MOPGFXCFSA-N 329.488 2.703 0 50 EFAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@]2(CCOC2)C1 91997477 LETGKYNRTUFPHA-SFHVURJKSA-N 329.375 2.859 0 50 EFAA Cc1nc2ccccn2c1CN(C)C(=O)c1cn2ccsc2n1 91550548 ZVXXOBHATQTNGZ-UHFFFAOYSA-N 325.397 2.624 0 50 EFAA Cc1c(C(=O)N[C@H]2COC3(CCCCC3)C2)sc2ncnc(O)c12 253536697 LGGCKCPOLVBDGG-LLVKDONJSA-N 347.440 2.927 0 50 EFAA COc1ccccc1OCCC(=O)N1CC[C@H](C2CCN(C)CC2)C1 270048830 BXZXQORBNRQFEW-KRWDZBQOSA-N 346.471 2.654 0 50 EFAA COc1cc(CNC(=O)N(Cc2cnn(C)c2)CC(C)C)ccc1O 534638510 FTGKGMLOVZNWOK-UHFFFAOYSA-N 346.431 2.502 0 50 EFAA Cc1nc(-c2cccc(C(=O)N[C@@H](C)Cc3cccnc3)c2)nn1C 299771139 SXUHOFVYYQGGHI-ZDUSSCGKSA-N 335.411 2.547 0 50 EFAA CCCSc1ccc(NC(=O)NCCc2cnc(O)nc2O)cc1 299798933 TXKQNPVOBKFYJL-UHFFFAOYSA-N 348.428 2.754 0 50 EFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(CCn1nc(C)cc1C)CC2 299799117 PRWRDOOZJTXMPS-HSALFYBXSA-N 347.503 2.939 0 50 EFAA COc1ccc(CN2CCc3nc(C)[nH]c3C2)cc1Cn1cccn1 824722800 RUKLRBLUVQXJSX-UHFFFAOYSA-N 337.427 2.530 0 50 EFAA Cc1nccc(-c2ccccc2)c1-c1nc(CC(N)=O)nn1C(C)C 826842152 MAQHQJLJEKDNAM-UHFFFAOYSA-N 335.411 2.924 0 50 EFAA COc1ccc(Cc2nc(C3CCC3)n(C[C@H]3COCCO3)n2)cc1 584899003 GBADMASCCXJJFG-KRWDZBQOSA-N 343.427 2.560 0 50 EFAA CCCN(C)C[C@H]1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 271284833 LHCGSJQQCAMCSC-LSDHHAIUSA-N 328.460 2.798 0 50 EFAA COc1ccc(Cc2nc(-c3ccoc3)n(CC(C)(C)O)n2)cc1 670460692 PIVRSNWZFSYLBM-UHFFFAOYSA-N 327.384 2.908 0 50 EFAA CNc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4)C3=O)n2)n1 1875286320 QGOSBUIFEMZDFO-AWEZNQCLSA-N 349.394 2.689 0 50 EFAA O=S(=O)(c1cnc(-c2ccccc2)o1)N1C[C@@H]2C[C@@H]3C[C@H]1[C@@H]2C3 1875396908 XCFVYNPDPYSRGE-MHEUCROKSA-N 330.409 2.761 0 50 EFAA CCC(=O)NCc1cn([C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 881287930 VAHZNHLRIFBFHC-JTQLQIEISA-N 326.322 2.932 0 50 EFAA Nc1ncc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 952969108 PSUGDLXQOOSZNX-HSBSLETESA-N 349.394 2.619 0 50 EFAA O=C(CC[C@H]1C(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2 888105533 MMJMHNLQYQXAKH-CQSZACIVSA-N 338.363 2.548 0 50 EFAA Cc1cc(N2CCC[C@H]2c2nc3ccccc3n2C)n2nc(C)nc2n1 882069458 OVKFTJJECRYLNS-INIZCTEOSA-N 347.426 2.969 0 50 EFAA CC1(C)CCN(C(=O)Cc2nc3ncccn3n2)C[C@H]1c1ccccc1 887581158 ORPLJOQABSLIAH-INIZCTEOSA-N 349.438 2.709 0 50 EFAA CC[C@@H](CCO)CN[C@H](C)C1(n2cc(Br)cn2)CC1 1775991250 JRSOPUDEMNNGKS-NEPJUHHUSA-N 330.270 2.521 0 50 EFAA Cc1noc([C@H](NC(=O)c2ccnc(OC(F)F)c2)C(C)C)n1 1433585256 PJRJEPHUFMNRHM-LLVKDONJSA-N 326.303 2.502 0 50 EFAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCOC 277465614 MAXDWCXXMSETHY-CJNGLKHVSA-N 331.416 2.826 0 50 EFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H](CC(=O)O)C1 676218660 VWSALVXRUVGIKS-SNVBAGLBSA-N 330.306 2.736 0 50 EFAA O=C(N[C@H]1CCc2c(Cl)cccc21)N1CCC[C@H](OCCO)C1 170086475 XKGVQVATNDWBLF-LRDDRELGSA-N 338.835 2.510 0 50 EFAA CCOC(=O)N[C@@H]1CCCN(c2cc(Br)ccn2)C1 170598835 DUJMWJOYNYMESE-LLVKDONJSA-N 328.210 2.559 0 50 EFAA Cc1sc(-n2c(C)ccc2C)c(C(=O)N2CCNC(=O)CC2)c1C 170597079 LTKHXCIURXXSAU-UHFFFAOYSA-N 345.468 2.735 0 50 EFAA CSCC[C@@H]1NC(=O)N(Cc2ncoc2-c2ccccc2)C1=O 170592605 MSCDAVKFBOUGAS-LBPRGKRZSA-N 331.397 2.515 0 50 EFAA O=C(CCOCC(F)(F)C(F)(F)F)N1CCO[C@@H]2CCCC[C@@H]21 170611081 XXZLFQPZUQVAGC-WDEREUQCSA-N 345.308 2.761 0 50 EFAA CC(C)=CC(=O)Nc1ccc(CC(=O)N(C)C2CCC(N)CC2)cc1 170677225 MCURVGFGYRWUIV-UHFFFAOYSA-N 343.471 2.862 0 50 EFAA CS(=O)(=O)C1(C(=O)Nc2ccc3cccc(Cl)c3n2)CCC1 281136067 JEOZYEKUVVLEMD-UHFFFAOYSA-N 338.816 2.794 0 50 EFAA COC[C@H]1[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]2CCO[C@H]21 1074514804 OGXMRIUSHXUFNY-FXUDXRNXSA-N 335.831 2.538 0 50 EFAA COc1c([C@@H]2CCCN2CC[S@@](=O)c2ccccc2)c(C)nn1C 205248508 IZMPPFQCJCSCRR-UPCLLVRISA-N 347.484 2.682 0 50 EFAA CNC(=O)c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1 301360371 NRKYPTLBBVVXNQ-UHFFFAOYSA-N 335.411 2.702 0 50 EFAA O=C(O)Cc1csc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n1 685019674 WSXJZUBSSMFNBW-SUMWQHHRSA-N 328.393 2.613 0 50 EFAA COC[C@H](NC(=O)NCc1ccsc1Br)C1CC1 225759233 XSRIIGDUQRLEPS-JTQLQIEISA-N 333.251 2.735 0 50 EFAA CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)o1 643887366 NQTBAQBNJZQIKP-AWEZNQCLSA-N 343.431 2.769 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(-n2cccc2)s1 668265882 SZIGHPMGTBQTFS-CQSZACIVSA-N 341.440 2.916 0 50 EFAA COc1ccc2c(C)cc(N3CCC4(CC3)CN(C)CCO4)nc2c1 1772817097 HAMUNMCBGCUOBB-UHFFFAOYSA-N 341.455 2.853 0 50 EFAA COc1cc(CN2CCOC[C@H](C(=O)O)C2)ccc1OCC=C(C)C 1772817973 KTDMOTOCYAYCFC-MRXNPFEDSA-N 349.427 2.573 0 50 EFAA O=C(O)c1nnn(-c2ccc(Br)cc2)c1[C@H]1CCCO1 11730675 NWGPADYBWJFXDI-SNVBAGLBSA-N 338.161 2.580 0 50 EFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)cc2)n2ncnc2N1 13124469 NLOBXDNWPMSWNW-HNNXBMFYSA-N 328.372 2.616 0 50 EFAA OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CCN1C1CCCC1 19720354 AOIPMBKFTKSURJ-SFHVURJKSA-N 327.472 2.979 0 50 EFAA O=C1C[C@@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 19799107 JWHOXJXPMZLCPS-CYBMUJFWSA-N 326.318 2.870 0 50 EFAA CSc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)cc1 19973412 OKIYWMLNHNVFGG-UHFFFAOYSA-N 327.453 2.762 0 50 EFAA CNC(=O)c1cnc(C=Cc2cccc(O[C@H](C)C(=O)O)c2)s1 1857532632 WHJDBVKSOPLSTG-SNVBAGLBSA-N 332.381 2.525 0 50 EFAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1nccn1C 412012944 NGZAJHQLUCXVEN-NSHDSACASA-N 341.333 2.814 0 50 EFAA O=C1CCc2c1ccc(OCC(=O)N1CCO[C@@H]3CCCC[C@@H]31)c2F 329281452 NGMGTYWISADFPA-GOEBONIOSA-N 347.386 2.503 0 50 EFAA O=C(CN1CCCC1=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 126821680 OGEQJGMZXRQZOH-SFHVURJKSA-N 343.814 2.563 0 50 EFAA C[C@@H]1CN(Cc2cccc(CNCc3c(Cl)cnn3C)c2)CCO1 130759017 BJQVMQMLTYAJGN-CQSZACIVSA-N 348.878 2.584 0 50 EFAA O=C1CCC(=O)N1CCN[C@@H](c1cccc(Cl)c1)c1ccccn1 133790026 JINHYFMQRGQKLA-SFHVURJKSA-N 343.814 2.563 0 50 EFAA Cc1noc2ncnc(N3C[C@H](O)C[C@H]3c3cc(F)ccc3F)c12 249269696 IZXGYJVGCWJUHE-MFKMUULPSA-N 332.310 2.517 0 50 EFAA C[C@H](Oc1cccc(F)c1)C(=O)Nc1sccc1S(C)(=O)=O 135519437 XFHMAYPSTUTCJL-VIFPVBQESA-N 343.401 2.697 0 50 EFAA COc1ccc([C@@H](NC(=O)NC2CCN(C)CC2)C(F)(F)F)cc1 155145888 DGYTYUKWGYRGKN-CQSZACIVSA-N 345.365 2.692 0 50 EFAA CCC(CC)CC(=O)N1CCC(NCc2nc(CC3CC3)no2)CC1 1203092025 IKGOKTYMDNKLKC-UHFFFAOYSA-N 348.491 2.929 0 50 EFAA Cc1cccc(C2=CCN(S(=O)(=O)c3c(C)cnn3C)CC2)c1C 908495519 AZRZWRDQDYBNNK-UHFFFAOYSA-N 345.468 2.823 0 50 EFAA O=C(NC[C@H]1CCC2(CCOCC2)O1)Nc1cnc2c(c1)CCCC2 930768138 KYOBILVRPMQTDY-MRXNPFEDSA-N 345.443 2.810 0 50 EFAA CCOc1ccc(CN2CCOC[C@H]2c2ccc(COC)o2)nc1 932332468 XJPXDSJZBTVIDW-KRWDZBQOSA-N 332.400 2.793 0 50 EFAA CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cnnn1C1CC1 2325770988 HGGSTMDKAGEVFP-GOSISDBHSA-N 349.394 2.997 0 50 EFAA N[C@H]1CCc2ncc(NC(=O)Cc3coc4ccc(F)cc34)cc2C1 2325797661 LKCBZFVZONKBNC-AWEZNQCLSA-N 339.370 2.964 0 50 EFAA Cc1cccc2c1C[C@@H](N=c1[nH]c(-c3ccccn3)nc(N)c1C)CO2 2325871965 BKMPAABLQUCTOY-CQSZACIVSA-N 347.422 2.575 0 50 EFAA CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc21 110646998 GVYJXIRZASNKOV-JFIYKMOQSA-N 327.428 2.709 0 50 EFAA C[C@H](C(=O)OCc1nc2ccccc2[nH]1)n1cnc2ccccc2c1=O 389152 VIZHGCLCIAXUCR-GFCCVEGCSA-N 348.362 2.577 0 50 EFAA O=C(C(=O)N1CCOCC1)c1c(-c2ccccc2)[nH]c2ccccc12 2873865 KERBPIDAWSRRIX-UHFFFAOYSA-N 334.375 2.876 0 50 EFAA N=c1[nH]nc(-c2ccc(-c3cccc(C(=O)N4CCCCC4)c3)o2)[nH]1 2356145822 JVBCTYAXFKENPH-UHFFFAOYSA-N 337.383 2.770 0 50 EFAA CCOC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1 3683684 XZXARRWNSLDZBR-UHFFFAOYSA-N 335.423 2.569 0 50 EFAA COc1ccc2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c1OC 4540639 ZZRNCFDHDSZRNK-UHFFFAOYSA-N 345.395 2.674 0 50 EFAA C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@@H]2CCCCN2C)c1 4757935 MJTQAIYOGJBJJG-KDOFPFPSSA-N 343.471 2.950 0 50 EFAA Cc1ccc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 4821131 KCCKOGWRHZAJGC-UHFFFAOYSA-N 341.436 2.916 0 50 EFAA CSc1nc2ncc(-c3ccnc(N4CCCCC4)n3)c(C)n2n1 54201958 PGJDGVDASDIHRX-UHFFFAOYSA-N 341.444 2.602 0 50 EFAA CCCc1nc(CN(CC)Cc2cccn2-c2ncccn2)no1 55358861 URPSAQLVQSAQBH-UHFFFAOYSA-N 326.404 2.625 0 50 EFAA O=C(CSCc1ccccc1Cl)NCCSc1cn[nH]n1 55284508 HJTRLAJJPALMNC-UHFFFAOYSA-N 342.877 2.600 0 50 EFAA O=C(c1cccc2nccnc12)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348235657 BEGRXPCJHHHTBO-RHSMWYFYSA-N 337.354 2.717 0 50 EFAA COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc(C)c1C 100276139 JNOPBKWZCJZEDV-UKJIMTQDSA-N 349.408 2.613 0 50 EFAA NC(=O)c1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65529103 NZBZXRGYIGVUCP-PKOBYXMFSA-N 347.418 2.689 0 50 EFAA CCOC(=O)c1cnc(C)c(NC(=O)c2cccnc2OCC)c1 349896603 PTPVUMUWCGPAHG-UHFFFAOYSA-N 329.356 2.613 0 50 EFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)CC1 65362189 JYNLYHDTJLJMIW-UHFFFAOYSA-N 338.473 2.636 0 50 EFAA CC(C)c1ccc(CN2CC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 67881639 UBTPJUUOWPOCCR-MRXNPFEDSA-N 336.501 2.714 0 50 EFAA CCc1nc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)no1 229298326 WHRKXHYYFSAYGL-JYJNAYRXSA-N 346.475 2.950 0 50 EFAA Cc1csc2ncc(C(=O)NCCSc3ccccc3)c(=O)n12 61720925 BFEJKPXNZJPCNB-UHFFFAOYSA-N 345.449 2.587 0 50 EFAA COc1ccc(C(=O)O)cc1NS(=O)(=O)c1sc(C)cc1C 320604954 CFMHQOKVTCCLNO-UHFFFAOYSA-N 341.410 2.873 0 50 EFAA Cc1cc2cc(NC(=O)C(=O)Nc3ccnn3C(C)C)ccc2[nH]1 121604609 JYLDZWPCDQFSQY-UHFFFAOYSA-N 325.372 2.831 0 50 EFAA CC(C)[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67588433 GAYCKKCVMCRLHE-OAHLLOKOSA-N 336.338 2.785 0 50 EFAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1 4708283 KFTREWYYLIVIIC-CYBMUJFWSA-N 344.374 2.660 0 50 EFAA O=C(c1cc(O)nc(C2CC2)c1)N1CCN=C(O)[C@H]1c1cccs1 330000935 XICJNESUZGPYCZ-OAHLLOKOSA-N 343.408 2.880 0 50 EFAA Cc1n[nH]cc1C1CCN(C(=O)c2ccccc2CN(C)C)CC1 366201798 HMHAQKNOUICXMK-UHFFFAOYSA-N 326.444 2.800 0 50 EFAA O=C(Nc1ccnn1CCc1ccccc1)[C@@H]1C[C@H]1C1CCNCC1 368070542 QUCMTAVHILOQFV-ZWKOTPCHSA-N 338.455 2.700 0 50 EFAA CCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1cccs1)CC2=O 71376507 GRJWEMLMMPLFKQ-NSHDSACASA-N 344.436 2.879 0 50 EFAA CCOc1cccc([C@H](C)NC(=O)N2CC(F)(F)C[C@H]2CO)c1 368713379 VISIZYRWENVUNA-AAEUAGOBSA-N 328.359 2.558 0 50 EFAA O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H]2CNCCC[C@H]21 373559933 JJRYUYOZRVQQHA-IUODEOHRSA-N 330.457 2.742 0 50 EFAA Cc1ccc(CC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cn1 333989090 IRRVYJWQNAWUKY-HXUWFJFHSA-N 336.391 2.569 0 50 EFAA C[C@@H]1Oc2c(cccc2C(=O)N2CCC=C(c3ccco3)C2)NC1=O 376029645 PCIPWYYEQATRFV-LBPRGKRZSA-N 338.363 2.929 0 50 EFAA CCn1ncc2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc21 158564951 UCOINPQNDLZRKE-BMFZPTHFSA-N 328.416 2.991 0 50 EFAA Cc1occc1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72426959 HSWDVDAMYUTPDZ-UHFFFAOYSA-N 329.352 2.726 0 50 EFAA O=C(c1cncc(F)c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72129061 SVYWDIJDFCLEQI-LJQANCHMSA-N 339.414 2.536 0 50 EFAA Cc1noc(C2CC2)c1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 241447045 NQSOTCLUYFELPV-GOEBONIOSA-N 327.384 2.906 0 50 EFAA Cc1c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cnn1C 176320693 HOMJHGTZARLPIM-UHFFFAOYSA-N 333.823 2.632 0 50 EFAA C[C@H]1CC[C@@H](CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 177540658 FSWQJJCVFRESSK-UONOGXRCSA-N 336.457 2.991 0 50 EFAA O=C(O)c1ccn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 20602734 UUVUZQSOAQPUHY-UHFFFAOYSA-N 349.390 2.810 0 50 EFAA Cc1c(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)nnn1C(C)C 292437780 MWYWTUFUFJVOOX-CQSZACIVSA-N 345.422 2.705 0 50 EFAA COc1ccc(-n2c(CN)nnc2SCC[C@@H]2CC2(F)F)cc1 426472611 CQHIWADSRHIHNH-SNVBAGLBSA-N 340.399 2.872 0 50 EFAA C[C@@H]1CN(c2ccccc2CNC[C@H]2CCN(C3CC3)C2)C[C@@H](C)O1 229873024 WAZKSGNLJWEUBU-KZNAEPCWSA-N 343.515 2.874 0 50 EFAA O=C(CN1CCC[C@@H](c2nccn2CC2CC2)C1)N1CCCCCC1 82108893 PIMCXXPHYIRKRV-GOSISDBHSA-N 344.503 2.875 0 50 EFAA CSCCc1nc([C@@H]2CCN(C)C2)n(Cc2ccc(F)cc2)n1 95503325 IASAUXAVCRBZMV-CQSZACIVSA-N 334.464 2.790 0 50 EFAA Cc1ccc(CN(CCN(C)C)C(=O)CCc2n[nH]c(C)c2C)s1 97823170 NQDJHAWSHIFHIN-UHFFFAOYSA-N 348.516 2.919 0 50 EFAA CCc1nc(C)c(CNC(=O)[C@H]2COc3c(cccc3OC)C2)s1 91745605 UZSJEHDXSOKUAH-CYBMUJFWSA-N 346.452 2.890 0 50 EFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)ccc1F 91462422 UOMMUUMHGADZDQ-DLBZAZTESA-N 344.430 2.997 0 50 EFAA COc1cccc2c1OC[C@@H](CNC(=O)CSc1ccccn1)C2 95389267 YKORWXIIQBIAGW-CYBMUJFWSA-N 344.436 2.550 0 50 EFAA CNC(=O)Cc1ccc(C[C@H]2COc3cc(OC)ccc3C2)cc1 91625000 XKQBLVLKROYGOS-MRXNPFEDSA-N 325.408 2.778 0 50 EFAA CCn1c(C)cc(C)c(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c1=O 97413365 XKIWEDPBWNETRU-OAHLLOKOSA-N 344.459 2.526 0 50 EFAA O=C(CN1CCc2ccccc21)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244882780 XYXOYJBXUGZGJG-ZRGWGRIASA-N 342.464 2.739 0 50 EFAA O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cc(-c3ccncc3)no2)C1 244718680 LOWPHTIGRNDXKV-ZBFHGGJFSA-N 348.406 2.518 0 50 EFAA CCN(CC)C(=O)c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12 263618350 SNNDKQDDHSWVCX-UHFFFAOYSA-N 345.790 2.632 0 50 EFAA COc1cc(OC)nc(NCCc2csc(-c3ccncc3)n2)n1 534658926 BZMSZEPZVZZQCS-UHFFFAOYSA-N 343.412 2.667 0 50 EFAA C[C@H](Cc1cncs1)NC(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 299759772 PCYUFVGKPGJGFN-BZNIZROVSA-N 347.415 2.717 0 50 EFAA COc1ccc2[nH]c(CNC(=O)[C@@H](C)N(C)C3CCCCC3)nc2c1 299770747 QVYZOAUGHBIJCY-CYBMUJFWSA-N 344.459 2.841 0 50 EFAA Cc1cnn(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)c1 299761476 MCLAPTQRHYCGDY-GOSISDBHSA-N 344.434 2.674 0 50 EFAA CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)NCC(C)C)c1 823599031 FPEJTCIVQSGTHI-UHFFFAOYSA-N 328.416 2.850 0 50 EFAA Cn1ccc2c(-c3nc(-c4cn[nH]c4)n(CC(C)(C)O)n3)cccc21 825640372 IPBWLEOAPVQGBH-UHFFFAOYSA-N 336.399 2.598 0 50 EFAA CN(CC(=O)NC[C@@]1(c2ccccc2)CC1(C)C)Cc1ccncc1 670459238 YCCIMHJJSTUKIF-OAQYLSRUSA-N 337.467 2.998 0 50 EFAA Cc1nc(CN2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)[nH]c1C 685940810 IXNHVPSVYJDHPF-KSSFIOAISA-N 327.432 2.841 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc3c2CCCC3)C1 952826038 YNSAPAOUFBSPCH-RHSMWYFYSA-N 325.412 2.891 0 50 EFAA CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ncncc1Cl 952993796 KAQVKTNWSMDXQO-QMMMGPOBSA-N 346.744 2.798 0 50 EFAA C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1ccon1 952992712 JCZUBOCBXBWNQD-LBPRGKRZSA-N 335.354 2.623 0 50 EFAA Cc1cccnc1N(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1 875644332 GLBHTIKISLNRNR-WBVHZDCISA-N 341.386 2.712 0 50 EFAA OCCn1cc(NCc2c(Cl)cccc2Br)cn1 1875284601 AXCKQJKPCYMKFU-UHFFFAOYSA-N 330.613 2.903 0 50 EFAA CCc1cc2c(=O)n(-c3nccc(N(CC)CC)n3)ncc2s1 1875275171 OCMQFIHECGXJPE-UHFFFAOYSA-N 329.429 2.646 0 50 EFAA O=S(=O)(N[C@@H]1CCC[C@@H]1n1cccn1)c1ccc(F)c2occc12 1875396884 WFHUMVRJSQCZLZ-KGLIPLIRSA-N 349.387 2.841 0 50 EFAA Cc1c(CNCCSc2nnnn2C)[nH]c2c(Cl)cccc12 952965052 FJQKAGZQXWUARL-UHFFFAOYSA-N 336.852 2.535 0 50 EFAA COc1ccccc1C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 885625957 PBDWEOQKWMVNTB-UHFFFAOYSA-N 340.379 2.619 0 50 EFAA CCOc1ncccc1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096365 CFCZSOLRJZTHJC-JSGCOSHPSA-N 341.371 2.505 0 50 EFAA CC[C@H](CO)N1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 892130991 BCWKABLDPJOXFT-GOSISDBHSA-N 341.455 2.762 0 50 EFAA CO[C@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1(C)C 1364199778 JEAVZNJPDBTGCC-KRWDZBQOSA-N 342.443 2.829 0 50 EFAA Cc1cc(N[C@H]2CCOC[C@@H]2OCCO)nc2ccc(Cl)cc12 1565510128 HQXKVCPBGPXKOH-HOTGVXAUSA-N 336.819 2.775 0 50 EFAA CCCN1CCCN(C(=O)c2cccnc2NC2CCCC2)CC1=O 170607693 LFCSMSWFLWTDQO-UHFFFAOYSA-N 344.459 2.521 0 50 EFAA C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cc(F)ccc1F 305222124 WJBLKASMEPCABR-NSHDSACASA-N 333.400 2.669 0 50 EFAA Cc1ocnc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 110914719 VQYCJSPJTDHVMQ-CYBMUJFWSA-N 333.775 2.514 0 50 EFAA Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c(C)n1Cc1ccccc1 282070674 DPGFWWGMCQBCSR-KDOFPFPSSA-N 339.439 2.550 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2nc(-c3ccco3)no2)c1 225729218 QBSZJGSZVCDFKJ-HIFRSBDPSA-N 341.367 2.646 0 50 EFAA Cc1cc(Br)c(O)c(NC(=O)Cc2c(C)n[nH]c2C)c1 189254517 AZLKUDPKLBUGEX-UHFFFAOYSA-N 338.205 2.984 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644069532 DIPXYRJIISONTG-YFPRJPQZSA-N 342.483 2.674 0 50 EFAA Cc1ccc(C(=O)N2CCN(C(=O)c3ccoc3Cl)CC2)s1 192386067 ZPVMPFYBUUEYAK-UHFFFAOYSA-N 338.816 2.901 0 50 EFAA CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccsc2Cl)cc1 194666988 JFJWBRDHBINHPJ-UHFFFAOYSA-N 344.845 2.904 0 50 EFAA C[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(OCC(=O)O)cc1 652072221 QKUASKWBFOXUGA-LNCBFAARSA-N 329.396 2.930 0 50 EFAA COc1ccc2c(c1)OCCN([C@H](C(=O)O)c1ccccc1F)C2 652446538 JFQADQHNYSTGBO-KRWDZBQOSA-N 331.343 2.855 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)NC[C@H]1CCN(C2CCCC2)C1 1506408320 DKNCFCRONOTGDO-VBROQKIQSA-N 334.485 2.634 0 50 EFAA COc1cccc(S(=O)(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)c1 1704297495 ADJGSNGRLSTTAY-SJORKVTESA-N 339.457 2.665 0 50 EFAA Oc1ccc2cc(CN3C[C@H](Cc4ccncc4)[C@@H](O)C3)ccc2c1 1615738288 WAYNUYAHOIMMMD-FPOVZHCZSA-N 334.419 2.976 0 50 EFAA COc1cc(CCC(=O)N2CCC3(CC2)CO[C@@H](C)C3)ccc1O 1772709537 QNGGBCUDGSXQBH-AWEZNQCLSA-N 333.428 2.751 0 50 EFAA CC(=O)N1CCC(N2CCCN(C(=O)C3(C)CCCCC3)CC2)CC1 1775979620 KHDPYKVRWVZDLZ-UHFFFAOYSA-N 349.519 2.502 0 50 EFAA Cc1c(-n2ccnc2-c2ccc(OCCCN(C)C)cc2)cnn1C 1857704610 ZHTWOKAQHQLWPT-UHFFFAOYSA-N 339.443 2.912 0 50 EFAA Cn1ccnc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857708831 POFSWPPZDQNFAX-FGTMMUONSA-N 349.438 2.671 0 50 EFAA Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cnn1CC(C)C 331459658 AMLFRMABKNIKAA-FUHWJXTLSA-N 345.418 2.935 0 50 EFAA FC(F)(F)c1nc(NCCN2CCCCCC2)c2nc[nH]c2n1 242183918 XDAHBTQSLAHXII-UHFFFAOYSA-N 328.342 2.660 0 50 EFAA Cc1cnc(OC2CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)nc1 656191511 YIAXBPDHZORUBX-MRXNPFEDSA-N 345.374 2.593 0 50 EFAA CCCC[C@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 253397208 REOPWPZZACOVEU-KBPBESRZSA-N 343.431 2.537 0 50 EFAA O=c1cc(-c2ccccc2)nc(-c2ccccc2CN2CCOCC2)[nH]1 23159008 KSLUQSMCCXZJRC-UHFFFAOYSA-N 347.418 2.936 0 50 EFAA C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)c2ccccc2N(C)C1=O 365525982 SFUAADYQNQNLOD-LLVKDONJSA-N 331.803 2.938 0 50 EFAA COc1ccncc1CNC(=O)N[C@@H]1COc2cccc(Cl)c21 366612156 PZNWNPOZFVFLBZ-GFCCVEGCSA-N 333.775 2.677 0 50 EFAA CC(C)Oc1cc(CNC(=O)c2ncoc2[C@@H]2CCCO2)ccn1 157334251 QKNGBIOEOVRDLB-ZDUSSCGKSA-N 331.372 2.638 0 50 EFAA Cn1nnc2c1C[C@@H](C(=O)N1CCc3cc(C(C)(C)C)ccc31)CC2 377770516 DOANGWOJLYEGHB-AWEZNQCLSA-N 338.455 2.807 0 50 EFAA C[C@H](N)C1(c2nc(C(F)(F)c3ccc(F)cc3)no2)CCOCC1 904587175 NLAYESNTEWNZML-JTQLQIEISA-N 341.333 2.744 0 50 EFAA CC1=C(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)C(C)(C)CCC1 1704332465 XLUYMLSIASBCHF-PKOBYXMFSA-N 337.504 2.880 0 50 EFAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccncn2)cc1 909008008 LUXVOAUUWFZMKM-HNNXBMFYSA-N 327.384 2.720 0 50 EFAA CN(CCCCNC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1 911251960 ARQJAGXIYIUQCS-UHFFFAOYSA-N 340.423 2.960 0 50 EFAA O[C@@H](CN[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cn1 819080224 ZFBYXNBDWZSKJG-QAPCUYQASA-N 333.382 2.652 0 50 EFAA CCn1nncc1CN1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 931796404 KIDOABRMDSFDPP-QGZVFWFLSA-N 342.834 2.822 0 50 EFAA C/C(=C\C(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)C1)c1cccs1 2325757729 GXBFEOXYRMNBEB-CEFACKQISA-N 345.424 2.910 0 50 EFAA Cc1ccc(-n2cc(C(=O)OCCCc3cncs3)nn2)cc1 847776967 DWEFYEGUTQILFT-UHFFFAOYSA-N 328.397 2.822 0 50 EFAA O=C(O)[C@@H]1CCO[C@H]1c1cncc(-c2ccc(OC3CC3)nc2)c1 2325787208 JQWULNHOOMVCEF-WBVHZDCISA-N 326.352 2.847 0 50 EFAA C[C@@H](OC(=O)c1ccccc1CC(=O)C1CC1)C(=O)C1CCOCC1 2325792262 QZPONNJFVCLDNZ-CYBMUJFWSA-N 344.407 2.749 0 50 EFAA C[C@H](C(=O)Nc1cnc2c(c1)CNCC2)c1cn(C)c2ccccc12 2325795320 YUKJTEWHRUUCIN-ZDUSSCGKSA-N 334.423 2.961 0 50 EFAA CC(C)C[C@@H](CNC(=O)c1cnc(O)c(C(F)(F)F)c1)N(C)C 932693370 IVDNZTQLANNUEU-NSHDSACASA-N 333.354 2.512 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 121228 NFQHLWBYXDKLQZ-UHFFFAOYSA-N 330.409 2.787 0 50 EFAA Clc1ccc([C@@H]2CN(Cc3cccc4ncnn34)CCO2)cc1 2356135647 NQKMATFPIXWSAV-INIZCTEOSA-N 328.803 2.956 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CCC2)[C@@H]1CC12CCC2 4006301 DVINIPICESTBEM-YHUYYLMFSA-N 330.472 2.910 0 50 EFAA COC(=O)c1c(NC(=O)C=C(C)C)sc2c1[C@H](C(=O)OC)CC2 4342053 LBTDCDXMLUHXTK-SECBINFHSA-N 337.397 2.642 0 50 EFAA O=C(NCCCOC[C@@H]1CCOC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 247129561 XAEJTMQJPXJFEC-SSDAWUQTSA-N 336.476 2.554 0 50 EFAA COc1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1 4698919 LEBPRESCLLZHJJ-UHFFFAOYSA-N 332.787 2.646 0 50 EFAA COc1ccccc1N1CCN(C(=O)c2onc(C)c2Cl)CC1 6738108 WWMBYQBLKXBCOQ-UHFFFAOYSA-N 335.791 2.607 0 50 EFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)COc1cccnc1 55167576 ANZVGBVIXGATQC-UHFFFAOYSA-N 340.358 2.791 0 50 EFAA C[C@H](NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3)c1ccccc1 100331700 UVILXWZMEDEBBV-LBPRGKRZSA-N 334.375 2.754 0 50 EFAA biogenic CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2C(=O)c3ccccc3C2=O)C1 100626531 MZXUCPGCLXOWQC-RNODOKPDSA-N 340.423 2.710 0 50 EFAA Cn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21 100508332 WINPTPZEHIJUNH-UHFFFAOYSA-N 342.782 2.828 0 50 EFAA Cc1occc1-c1noc([C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 350468300 VRRIUKAHYZKCLK-CABCVRRESA-N 343.383 2.547 0 50 EFAA CC1(C)CC(N2CCN(c3ncccc3C(N)=O)CC2)CC(C)(C)C1 65372238 CMLQQTRLNIYPDI-UHFFFAOYSA-N 344.503 2.907 0 50 EFAA COc1cc(-c2n[nH]c(=O)n2-c2cccc(C)c2)cc(OC)c1OC 67919601 HPNDJEJFKRQPDZ-UHFFFAOYSA-N 341.367 2.562 0 50 EFAA CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)c1C 65527084 ANDGZTVUPAKIRW-MRXNPFEDSA-N 329.448 2.883 0 50 EFAA Cc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)cc1 20995848 ZJOKQAYSKQEYBP-FQEVSTJZSA-N 340.467 2.769 0 50 EFAA Cc1cc(C)c(C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)c(=O)[nH]1 67642446 FKTQNQIWVATJFF-UHFFFAOYSA-N 344.802 2.794 0 50 EFAA Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H]1[C@H]3CCO[C@@H]3C13CCC3)CO2 252477367 MQKUPPDSQZTGNQ-WNOSKKOXSA-N 328.412 2.685 0 50 EFAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Cc1noc2ccccc12 151741480 PBDKMZMRBUIKBR-CYBMUJFWSA-N 339.399 2.737 0 50 EFAA CCC(CC)(CNC(=O)CCc1cnccn1)C(=O)OC(C)(C)C 424941418 HXBRPWMPEOLMCB-UHFFFAOYSA-N 335.448 2.674 0 50 EFAA CN(CCO)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 20867540 NVQOIRAPAHHVJO-ZDUSSCGKSA-N 330.350 2.530 0 50 EFAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)s1 314675739 DEUMNLFNIRFVCC-UHFFFAOYSA-N 325.411 2.793 0 50 EFAA CC(C)c1nc(C[C@@H]2NC(=O)c3ccccc32)n(-c2ccccn2)n1 65453324 BKPXHMVWXMILKZ-HNNXBMFYSA-N 333.395 2.813 0 50 EFAA N=C(O)c1ccc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)c(F)c1 333210173 CPPVJGLSMWJQDW-ZDUSSCGKSA-N 335.379 2.989 0 50 EFAA COc1cc(OC)c(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1F 151192946 IYHSTLNZMATZMA-UHFFFAOYSA-N 348.378 2.978 0 50 EFAA CCOC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 4625886 DQHBQTGRUBXLJA-UHFFFAOYSA-N 340.261 2.663 0 50 EFAA Cn1nccc1NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 124983965 OXARXOCNIZRHEG-UHFFFAOYSA-N 337.786 2.567 0 50 EFAA C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(CN)o2)CC1 237506096 STVNRCZDZHLHLP-ZDUSSCGKSA-N 347.846 2.911 0 50 EFAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ocnc2C2CC2)n1 368051034 JNABIFJVLIHSMI-CQSZACIVSA-N 326.400 2.972 0 50 EFAA CC(C)n1cnc(C(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1 369071264 LYEQOQAZHPOZNL-ZDUSSCGKSA-N 326.400 2.723 0 50 EFAA COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](C)C3)c(OC)c1 71376129 VZGDDPZNPWMMFU-LLVKDONJSA-N 342.395 2.769 0 50 EFAA CC(C)N1C[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O 77516929 PLIBBEYUPOIOKA-GOSISDBHSA-N 342.483 2.943 0 50 EFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCC[C@H]1C1CCC1 239667179 BPGHRPBXXQDRSA-LULLPPNCSA-N 349.519 2.850 0 50 EFAA CSc1ncccc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 77287003 BBQYIYCKAVTYSF-UHFFFAOYSA-N 348.859 2.814 0 50 EFAA CN1CC[C@@H](CNCc2ccn(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 240894827 IQFDQTQVCUKZAR-GUYCJALGSA-N 336.842 2.995 0 50 EFAA CN1CCN([C@H]2CCCCN(CCCCC3CCOCC3)C2)CC1 241124230 JGNVRTADKHRFHL-FQEVSTJZSA-N 337.552 2.685 0 50 EFAA Cn1ccc([C@H](NC(=O)C2CCOCC2)c2ccc(Cl)cc2)n1 241338683 MDAAICYSHHHFPR-MRXNPFEDSA-N 333.819 2.706 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COC2CCCCC2)c1 337504372 GNULAKRYZVMDPB-CRAIPNDOSA-N 333.428 2.679 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@H](c2ccsc2)C1 131941068 KOHYRMVDARSDGZ-NSHDSACASA-N 343.330 2.771 0 50 EFAA Cc1ccc2[nH]c(=O)c(CN3CCO[C@H](C(F)(F)F)C3)cc2c1 71760308 JNZHKTVDMXYJKM-AWEZNQCLSA-N 326.318 2.600 0 50 EFAA O=C(c1cccc2c1OCC2)N1CCO[C@H](Cc2cccc(F)c2)C1 71749486 TWFHVUFJUZBNKQ-QGZVFWFLSA-N 341.382 2.844 0 50 EFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@H](CCC(=O)O)C1 263424196 LVOVAUMIIDEPQU-CYBMUJFWSA-N 343.383 2.762 0 50 EFAA CN1C(=O)CC[C@@H](NCc2coc3ccccc23)[C@@H]1c1ccnn1C 343453872 RVDJYHGUTYNHNE-DNVCBOLYSA-N 338.411 2.618 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 175864077 VQROPHQSRRBCEK-BLLLJJGKSA-N 344.463 2.628 0 50 EFAA CN1CC[C@@]2(CCN(C(=O)NCc3csc(-c4ccco4)n3)C2)C1 292808461 ZTLXWTJYHFIYOQ-QGZVFWFLSA-N 346.456 2.640 0 50 EFAA Cc1cc(C)cc(C(=O)Nn2c(S)nc3ccccc3c2=O)c1 17066610 HZPVJLICZJEMNO-UHFFFAOYSA-N 325.393 2.686 0 50 EFAA Cn1cncc1CNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 289526345 CPMCEFVTCKEDHI-KBPBESRZSA-N 325.416 2.731 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(Cc1cccnc1N)CC2 426387753 RJZDFGVLWSPGLF-JENIJYKNSA-N 331.460 2.602 0 50 EFAA NC(=O)C1(NC(=O)[C@@]2(c3ccccc3)CC23CCCC3)CCCC1 426518008 YFQDWSMBJCJLTN-FQEVSTJZSA-N 326.440 2.803 0 50 EFAA O=C(CCC(F)(F)F)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 222407051 PXSFGESFARUWTM-OLZOCXBDSA-N 335.297 2.821 0 50 EFAA CNC[C@@H]1CCN(C(=O)c2sc(C)c(Br)c2OC)C1 179029011 ASXCVJDDYXYHQB-VIFPVBQESA-N 347.278 2.509 0 50 EFAA O=C(NC1CCCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91807538 BHRKOMSLSIGXLT-FUHWJXTLSA-N 341.455 2.762 0 50 EFAA COCC1(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)CCC1 97272473 ZENVBRBVSNPJNF-QGZVFWFLSA-N 327.428 2.947 0 50 EFAA COc1ccccc1[C@H]1CCCN1C(=O)c1cnc(N(C)C)nc1C 95392421 TXDMLUFPHNANDA-MRXNPFEDSA-N 340.427 2.837 0 50 EFAA Cn1cc(CCCNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)cn1 95384422 HMPKGRXVONJSFE-ZWKOTPCHSA-N 332.492 2.514 0 50 EFAA c1cnc2ccc(CN3CCCO[C@H](CN4CCCC4)C3)cc2c1 97553291 GSUWBRIWRNOSFX-LJQANCHMSA-N 325.456 2.922 0 50 EFAA COc1cccc(CN2CCN(c3ncccc3Cl)CC2=O)c1 95506055 KZBWLASGLFRNQQ-UHFFFAOYSA-N 331.803 2.592 0 50 EFAA CN1CCC(Cc2noc([C@@H](c3cccnc3)N3CCCC3)n2)CC1 95355618 LRBIMEPUWCQGOJ-GOSISDBHSA-N 341.459 2.534 0 50 EFAA Cc1ccc(F)cc1[C@@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95383106 XSZVPSZUFLTOBD-KRWDZBQOSA-N 348.418 2.594 0 50 EFAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)s1 97551399 VGDGAWYPCBBUGH-GFCCVEGCSA-N 348.424 2.681 0 50 EFAA COc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1F 96162496 TTZHLOCNXKQRTR-GOSISDBHSA-N 331.387 2.867 0 50 EFAA CCOC(=O)C(C)(C)ONC(=O)Cc1csc(-c2ccccc2)n1 295505676 HBHAYCWFARQPEA-UHFFFAOYSA-N 348.424 2.742 0 50 EFAA O=C1CCCN1C1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95513333 JLPYMLYQKVSSHF-MRXNPFEDSA-N 328.456 2.715 0 50 EFAA CN1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2F)no1 95501151 QMDGNHLWPCZQBZ-QGZVFWFLSA-N 331.391 2.971 0 50 EFAA CC(C)C(=O)Nc1cc(NC(=O)N(C)Cc2ncc[nH]2)ccc1F 96153110 CYAHQKZNCFVLMD-UHFFFAOYSA-N 333.367 2.807 0 50 EFAA CSCc1noc(CN2CCOc3ccc(Cl)cc3C2)n1 244659435 HCPAJBRUOIDOEI-UHFFFAOYSA-N 325.821 2.981 0 50 EFAA O=C(CCc1cnccn1)N1CCC(c2nc3ccccc3[nH]2)CC1 280066564 XGECXPGJNUHTQR-UHFFFAOYSA-N 335.411 2.692 0 50 EFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(C1CCCC1)CCO2 825306804 VMIZFRQUICPVND-UHFFFAOYSA-N 347.459 2.541 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)N1CCCCCC1 584887604 NMGGLXQYSUAMIL-QGZVFWFLSA-N 331.460 2.942 0 50 EFAA O=C(O)c1ccn([C@H]2CCCN(Cc3csc(C4CC4)n3)C2)n1 1875283121 GYIWWAHEMWCXIY-ZDUSSCGKSA-N 332.429 2.752 0 50 EFAA C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)N1CCOC2(CCC2)CC1 1875296083 XZQKTSOANFOTPZ-ARFHVFGLSA-N 346.475 2.826 0 50 EFAA Cc1csc(C2(NC(=O)c3cccc4c3COC4)CCOCC2)n1 1875293511 SPBUGAOVMJRLQU-UHFFFAOYSA-N 344.436 2.917 0 50 EFAA CC1(CCCC(=O)NCC2(CN3CCOCC3)CCCCC2)N=N1 1875279122 LXPWXGVPUOILGE-UHFFFAOYSA-N 336.480 2.738 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](N(C)CCc3cnc[nH]3)C2=O)c(C)c1 1875273793 IFLOKJHEZVGWIQ-QGZVFWFLSA-N 326.444 2.615 0 50 EFAA CNC(=O)c1ccc(CN2CCC3(CC2)COc2ccccc23)cc1 1875292979 YRYYXVHEEYXJCT-UHFFFAOYSA-N 336.435 2.972 0 50 EFAA O=C(NCc1noc(-c2ccccc2F)n1)N1CC(CC2CC2)C1 1875268146 SBZOZYGDXPGEOB-UHFFFAOYSA-N 330.363 2.817 0 50 EFAA C=CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1 1875367554 NUULJEJQWUGEMC-HDJSIYSDSA-N 341.411 2.615 0 50 EFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1875304270 FUHNVXFBZFOLMK-VFVRVIDISA-N 333.428 2.883 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(OCC(F)(F)F)c2)cn1 1875381478 WJVFVDZJTHFBEQ-XMHCIUCPSA-N 341.333 2.624 0 50 EFAA COCC(=O)Nc1ccc(NC(=O)CCc2cccnc2)cc1C 952979415 MXHJIHOKCDKMEV-UHFFFAOYSA-N 327.384 2.546 0 50 EFAA O=C(C[C@H]1CCCCO1)N1CC(c2nc(-c3ccccc3)no2)C1 886546882 ZGKLXLORFAMGGV-OAHLLOKOSA-N 327.384 2.622 0 50 EFAA CCc1cccc(Cl)c1CNC[C@H]1C[C@@H](c2n[nH]c(C)n2)C[C@H]1O 888076167 CFKRJHVHOWGGBL-CKEIUWERSA-N 348.878 2.973 0 50 EFAA CCC(F)(F)C(C)(C)CNCc1ccc(CS(=O)(=O)NC)cc1 888099908 BKELRIGYDFLEBS-UHFFFAOYSA-N 348.459 2.897 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)N1 1363510273 UTMNMYHPBHAZOU-CQSZACIVSA-N 347.321 2.759 0 50 EFAA CC(C)OC(=O)C[C@@H]1CCCN(c2ncc(Br)cn2)C1 274215398 LZWKOKXQVAQIFX-NSHDSACASA-N 342.237 2.797 0 50 EFAA Cc1ccccc1[C@H]1CN(c2cncc(-n3cccn3)n2)[C@@H](C)CO1 280812196 WZBTZQKOUBPIIY-DOTOQJQBSA-N 335.411 2.937 0 50 EFAA COc1cccc(OC)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 281201895 AXMOEPGMEWPISB-RBSFLKMASA-N 333.428 2.860 0 50 EFAA CC[C@H](C(=O)OC)N(C(=O)c1cn2ccnc2s1)c1ccccc1 187922413 VIMGMUQIYJHBOS-CYBMUJFWSA-N 343.408 2.994 0 50 EFAA Cc1ccccc1CC(C)(C)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 188396469 GYBMUKPSXAKWFE-MRXNPFEDSA-N 349.496 2.647 0 50 EFAA CC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 225339882 YHYDTVPISDSOLC-FAYQHZLMSA-N 330.428 2.562 0 50 EFAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1N1CCCCC1 225467456 UVFTXCVEMRORKI-CABCVRRESA-N 344.459 2.843 0 50 EFAA c1c(C2CCCCC2)noc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076048835 HDRDOWFIPVFICS-MSOLQXFVSA-N 343.431 2.660 0 50 EFAA CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(C3CC3)cc1)CC2 188985926 DDVITDRDIPBIHZ-INIZCTEOSA-N 339.443 2.532 0 50 EFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(F)cccc3[nH]2)C1 190063703 LBMVCNUUVMCRAH-MEBBXXQBSA-N 344.346 2.601 0 50 EFAA Cc1ccccc1C1(CN[C@H](C)c2nnnn2C2CC2)CCOCC1 190536482 VFCLQUVHQTVRBG-OAHLLOKOSA-N 341.459 2.715 0 50 EFAA COc1ccc(C)cc1CCNC(=O)[C@@H]1CCCN1c1nccs1 192534939 WNSQSARMVBBEEV-HNNXBMFYSA-N 345.468 2.788 0 50 EFAA C[C@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)c2ccccc12 193827585 CJQBJOLYHMJRIA-JQAFLVLXSA-N 346.814 2.703 0 50 EFAA O=C(O)CN(Cc1ccc(Cl)cc1)Cc1cc2n(n1)CCCC2 652458934 DXGTWKHYULAWLQ-UHFFFAOYSA-N 333.819 2.960 0 50 EFAA FC(F)(F)c1cc(N[C@H]2CCCN3CCCC[C@@H]23)n2ncnc2n1 656225119 DJEBNCPEVLTKIZ-QWRGUYRKSA-N 340.353 2.572 0 50 EFAA C[C@@](CNC(=O)c1ccc2c(c1)CCOC2)(C(=O)O)c1ccccc1 659147864 DTUYDHMXHSKLOD-FQEVSTJZSA-N 339.391 2.532 0 50 EFAA CC(=O)N1Cc2ccc(S(=O)(=O)N3CCCCC[C@@H]3C)cc2C1 659909878 MRTKCSMWSUESIR-ZDUSSCGKSA-N 336.457 2.502 0 50 EFAA O=C(OCc1cccc(C(F)(F)F)c1)[C@H]1CCCCS1(=O)=O 772411381 USQAEQZKHUIIHT-GFCCVEGCSA-N 336.331 2.716 0 50 EFAA CCOc1ccc(NC(=O)c2cc(O)nc(C(C)C)c2)c(C(N)=O)c1 775537044 STZPUKVBVCPKIA-UHFFFAOYSA-N 343.383 2.661 0 50 EFAA COc1ccc(OCC2CCN(CC[C@H]3COCCO3)CC2)cc1 1775980344 YYJQVSZMZYRDPF-IBGZPJMESA-N 335.444 2.592 0 50 EFAA CN(Cc1ccon1)C(=O)C1(N2CCCCC2)Cc2ccccc2C1 12055962 NZXGBXBICYJMAU-UHFFFAOYSA-N 339.439 2.657 0 50 EFAA CC(C)N1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 12382500 CGXUTJRXAOIBAE-UHFFFAOYSA-N 328.815 2.847 0 50 EFAA O=C(CCn1cncn1)N1CCC[C@@H](CCc2cccc(F)c2)C1 12577568 PJBBESACGXHVLW-INIZCTEOSA-N 330.407 2.679 0 50 EFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 13659344 FMNXERUXFFRVFL-CYBMUJFWSA-N 329.849 2.975 0 50 EFAA CN1CCC[C@@]2(CCCN(CCc3nc(-c4ccccc4)n[nH]3)C2)C1 19219586 XVNUFHUPJFLQFY-HXUWFJFHSA-N 339.487 2.822 0 50 EFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C[C@H]2CCOC2)CC1 19731060 YUXYONMCUSCGKB-OAHLLOKOSA-N 334.464 2.541 0 50 EFAA Cc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1 19881497 OSEINEYTWCCJKJ-CYBMUJFWSA-N 342.376 2.512 0 50 EFAA CCCCCCOC(=O)[C@@H]1C[N@@]1[C@H](Cc1ccccc1)C(=O)OCC 1857666470 MXCHQFBWHCWGRT-LQWHRVPQSA-N 347.455 2.969 0 50 EFAA CCn1ncc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1C 1857678365 FANYWEWZLKVIHZ-UHFFFAOYSA-N 349.438 2.843 0 50 EFAA CC1(C)[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCO[C@H]21 230088333 SVOORIOFXBCKGB-DZJNRPSUSA-N 343.471 2.626 0 50 EFAA COc1ccc([C@H]2C[C@H](C)N(C(=O)c3csc(CN)n3)C2)cc1 237378723 LHLXLMJPMBCISC-AAEUAGOBSA-N 331.441 2.629 0 50 EFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccccn2)C1 343936882 DJKMBTVZZVNJMH-LLVKDONJSA-N 338.333 2.854 0 50 EFAA COc1c(CNC(=O)[C@@H](O)Cc2ccccc2)oc2ccccc12 357008208 FDDWVGDTTJGJBN-HNNXBMFYSA-N 325.364 2.661 0 50 EFAA Cc1cnccc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 941137725 ANQOIUBOIOUUOH-WBVHZDCISA-N 343.471 2.937 0 50 EFAA CCn1nc(C)c(S(=O)(=O)Nc2cc3[nH]ncc3cc2C)c1C 266098025 SBJNAAZOSYUOII-UHFFFAOYSA-N 333.417 2.505 0 50 EFAA O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1 448554 UAFKMZFQTJGNLO-UHFFFAOYSA-N 327.203 2.786 0 50 EFAA CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)NCc1cscn1 817776038 ZVLFTQKRIOTXJX-UHFFFAOYSA-N 342.465 2.636 0 50 EFAA Cc1noc(COC2CN(C(=O)c3ccc(Cl)c4occc34)C2)n1 823351353 KPIOXGRDSCDHNJ-UHFFFAOYSA-N 347.758 2.819 0 50 EFAA C[C@@H](C(=O)NC1CCCCC1)N1CCn2nc(C(F)(F)F)cc2C1 932599615 LUBWYYJCLUTLFH-NSHDSACASA-N 344.381 2.555 0 50 EFAA O=C(c1cccc2c1OCC2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 935164865 KBVBUJDXPCRXIY-AWEZNQCLSA-N 338.411 2.637 0 50 EFAA Nc1ncnc(N2Cc3cccc(Br)c3C2)c1Cl 225486843 UKXLOLJOXQFKEM-UHFFFAOYSA-N 325.597 2.995 0 50 EFAA O=C(NCCC(=O)N1CCC=C(c2ccncc2)C1)c1ccccc1 2325721443 QJRGSBBGDIZFMT-UHFFFAOYSA-N 335.407 2.517 0 50 EFAA C[C@](CC(=O)O)(NC(=O)c1occ2c1CCOC2)c1cccc(F)c1 909680835 IMONJECCNSRTNH-GOSISDBHSA-N 347.342 2.611 0 50 EFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2nn[nH]n2)CC1 913742222 OLOQFUUGGCLZRP-UHFFFAOYSA-N 347.422 2.815 0 50 EFAA COCc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 148473 YXCCXUQVJLHOMC-UHFFFAOYSA-N 327.793 2.664 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 168757 GATFAFCOQKIUEH-UHFFFAOYSA-N 325.777 2.631 0 50 EFAA O=C(CSCc1ccc(Br)cc1)N1CCOCC1 382759 OGWTXFBBERZEOY-UHFFFAOYSA-N 330.247 2.541 0 50 EFAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccccc12 4090772 JBFYBXHWCGNNGC-FQEVSTJZSA-N 331.375 2.768 0 50 EFAA biogenic O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Br)c1 6701038 MUCDVANSHWSJBX-UHFFFAOYSA-N 347.168 2.996 0 50 EFAA CCC(=O)Nc1ccc(NC(=O)CCCNC(C)=O)cc1Cl 55392832 PSXGBHCIBBOAQS-UHFFFAOYSA-N 325.796 2.543 0 50 EFAA O=C(CCNC(=O)c1ccccc1F)N[C@@H](CF)Cc1ccccc1 55253474 KUJDFALXGQZFQX-OAHLLOKOSA-N 346.377 2.643 0 50 EFAA O=C(c1ccncn1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65395966 MOWMAGHWKSDZFH-PKOBYXMFSA-N 333.391 2.620 0 50 EFAA CCNC(=O)CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67758155 CKDVYDUPXYJUID-UHFFFAOYSA-N 340.423 2.698 0 50 EFAA CCCc1[nH]ccc1C(=O)NC[C@]1(COC)OCCc2ccccc21 421911317 QQHJBHOMXUUESN-HXUWFJFHSA-N 342.439 2.812 0 50 EFAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)c1 65362030 QISZDGOUZLRDNJ-UHFFFAOYSA-N 325.416 2.756 0 50 EFAA CCc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](n3cc(C)cn3)C2)cc1 352416633 VVUDDGXOYVCVFW-VQIMIIECSA-N 340.471 2.878 0 50 EFAA COc1cccc(NC(=O)[C@H](C)Oc2nn(C)c3ccccc23)c1 409417878 OMLOGGUKBHDHBA-LBPRGKRZSA-N 325.368 2.988 0 50 EFAA CN(Cc1cnccn1)C(=O)NCC1(N2CCCCC2)CCCCC1 172267320 RKRLULRWRAQWMP-UHFFFAOYSA-N 345.491 2.807 0 50 EFAA Cc1ncc(C)c(N2CCC(Cn3cc(C(C)(C)C)nn3)CC2)n1 63847742 HJTJTVXBWRQISX-UHFFFAOYSA-N 328.464 2.899 0 50 EFAA CCCCc1nc(CN2c3ccccc3[C@H](C(N)=O)C[C@H]2C)no1 230199142 GQTJRMQFIBGCBI-TZMCWYRMSA-N 328.416 2.780 0 50 EFAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCNC(C)=O)[nH]1 67672901 GXLKBZAIERXHOT-UHFFFAOYSA-N 337.427 2.947 0 50 EFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 67726670 UFKJWFMGSFCAJD-OAHLLOKOSA-N 347.440 2.913 0 50 EFAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253396880 QTJKGRXYJAOWLF-UHOSZYNNSA-N 343.471 2.838 0 50 EFAA NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 174639273 HNLVEDDIUBRAJK-DENIHFKCSA-N 348.446 2.795 0 50 EFAA Cc1cc([C@@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)c(C)s1 284211868 ZUUANNQQYSXZLQ-SNVBAGLBSA-N 329.487 2.898 0 50 EFAA O=C(NCc1cccnc1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 361735341 VLTNNOLHVPRJLQ-KRWDZBQOSA-N 332.407 2.824 0 50 EFAA O=C(CCc1nc(-c2ccco2)no1)N1CCC([C@@H]2CCOC2)CC1 363748783 OBHNGUOSRLOMNV-CQSZACIVSA-N 345.399 2.537 0 50 EFAA Cc1nc(CN(Cc2cccnc2)[C@H]2CN3CCC2CC3)cs1 72165480 YEBNGXBWJPVMJJ-SFHVURJKSA-N 328.485 2.943 0 50 EFAA CC(C)c1nccn1CCCNC(=O)[C@H](O)c1cccc(Cl)c1 216534402 HRMVUCZSNURXMR-OAHLLOKOSA-N 335.835 2.900 0 50 EFAA O=C(N[C@H]1CCN(c2ccccc2)C1)c1cnc(C(F)(F)F)nc1 156042916 VLEMJRDQGQTLOK-LBPRGKRZSA-N 336.317 2.504 0 50 EFAA Cc1cnccc1N1CCCN(Cc2cnn(C)c2C2CC2)CC1 77436339 CDNHUFRZMYSGCK-UHFFFAOYSA-N 325.460 2.713 0 50 EFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCCn4cncc4C3)c12 72150479 WMTBFKGQFQCFQN-UHFFFAOYSA-N 337.383 2.651 0 50 EFAA COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C)on2)c(OC)n1 219680554 MQKBYOXVJXRTPQ-CQSZACIVSA-N 331.372 2.763 0 50 EFAA CCOc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 377748764 UZOORXCCZWEXOV-INIZCTEOSA-N 340.427 2.583 0 50 EFAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@H]1c1ccc(F)cc1 241720846 QSVFISJJLANJEF-KSZLIROESA-N 347.434 2.535 0 50 EFAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 219560688 GDBSQACDGDXBRL-AWEZNQCLSA-N 328.416 2.900 0 50 EFAA COc1ccc(-c2nc(NC(=O)CCc3nnc[nH]3)sc2C)cc1 176784135 WKSGXQHTVZAZOL-UHFFFAOYSA-N 343.412 2.817 0 50 EFAA Cc1cc(S(=O)(=O)N2C[C@@H](CO)c3ccccc32)c(F)cc1F 292682583 KLRLDSKCORYROB-NSHDSACASA-N 339.363 2.558 0 50 EFAA Cc1cc(N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)ccn1 223350249 NDURQZNZPMFNAW-LJQANCHMSA-N 335.451 2.844 0 50 EFAA CCN([C@H]1CCOC(C)(C)C1)S(=O)(=O)c1ccc2c(c1)CCO2 290273305 UQTZHRNTUUPTCG-AWEZNQCLSA-N 339.457 2.590 0 50 EFAA C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](O)c1ccccc1 43763701 GJNOPHQRRSWYJP-QGTPRVQTSA-N 339.391 2.946 0 50 EFAA Nc1ncc(-c2cccc(C(=O)NCCCOC3CCCC3)c2)cn1 426575168 UUDHGTFDXNPSRV-UHFFFAOYSA-N 340.427 2.805 0 50 EFAA Cc1scc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1C 179756783 VLWCQQFIKYHUAR-QGZVFWFLSA-N 343.408 2.672 0 50 EFAA Cc1ccc2nc(-c3ccc(C(=O)O)cc3)c(CC(=O)N(C)C)n2c1 22067509 FELZONDEFBLTSP-UHFFFAOYSA-N 337.379 2.639 0 50 EFAA biogenic,in-vitro COc1ccc(CN(Cc2ccncc2)C(=O)[C@@]2(C)CCCN2)cc1 97117182 FWZGNPDXDWUUOG-HXUWFJFHSA-N 339.439 2.761 0 50 EFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2nccs2)nn1 95374033 ZHTWZDHCWRBYKQ-AWEZNQCLSA-N 339.380 2.751 0 50 EFAA c1ccc(Cc2nc(Cn3cc([C@H]4CCOC4)nn3)cs2)cc1 91381248 HJUPFROMUULCSC-AWEZNQCLSA-N 326.425 2.878 0 50 EFAA CCc1cccc(OC2CN(C(=O)CCCn3ccnc3C)C2)c1 95382305 YTGKRTDEZACAEX-UHFFFAOYSA-N 327.428 2.824 0 50 EFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cccs1 237954288 IDPIDGQATIIEQY-OLZOCXBDSA-N 331.393 2.946 0 50 EFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)COCc1ccccc1 91603784 KXRPTUZAICBIFB-UHFFFAOYSA-N 337.379 2.912 0 50 EFAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCSCC3)CC2=O)cc1 91644746 UEQPIHYJOFXSDQ-HNNXBMFYSA-N 332.469 2.738 0 50 EFAA COc1ccc(Cl)cc1CN(C)c1cc([C@H]2C[C@@H](N)C2)ncn1 244673870 HXCCCGBTODEXDR-VDISTLRHSA-N 332.835 2.980 0 50 EFAA O=C(Cn1ccc2ccccc21)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 252571503 YBTOWOHBOMLCMF-WDSOQIARSA-N 349.434 2.535 0 50 EFAA CCc1nnc(CNC(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)s1 584890144 VDMSXGBBHIYLJF-UHFFFAOYSA-N 344.444 2.627 0 50 EFAA C[C@@H]1C[C@H](CNC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 271508537 ILYBBTXLYDGJHY-CHWSQXEVSA-N 333.407 2.964 0 50 EFAA C[C@@]12CCC(=O)N1[C@H](c1nc(-c3nccc4[nH]ccc34)no1)CS2 952883605 ODUQLHLWNQBQIE-MEDUHNTESA-N 341.396 2.739 0 50 EFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cc(F)c(F)cc3F)C2)o1 952890644 FSFGGIIXIYQZCL-ZJUUUORDSA-N 339.317 2.937 0 50 EFAA CCCCOc1cccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)c1 952993404 NFCRFJNKHKVPFR-UHFFFAOYSA-N 337.441 2.629 0 50 EFAA Cc1ccc(-n2cc(S(=O)(=O)N[C@@H](C)c3cncs3)cn2)cc1 1875264642 JUNZPNXSABXYBW-LBPRGKRZSA-N 348.453 2.677 0 50 EFAA CC(C)n1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)CCC3CC3)CC1)O2 1875394628 PRHQPEFBNZRDSE-HNNXBMFYSA-N 347.459 2.831 0 50 EFAA Cc1cc(CN2CCOCC2)cc(C)c1OC[C@@H]1C[N@]1CC1CC1 1875384185 DGBVEYSKQADZBW-UGKGYDQZSA-N 330.472 2.609 0 50 EFAA CC(C)(C)OC(=O)c1cc(N2C[C@@H]3CCOC[C@H]3C2)c(C2CC2)nn1 1875320958 OXEVKWGLHIBNHD-UONOGXRCSA-N 345.443 2.782 0 50 EFAA Cc1ccc(OC[C@H]2C[N@@]2CC2CC2)c(C(=O)N=c2cc[nH]cc2)c1 1875385048 LMWAMJWCDJXERJ-UZUQRXQVSA-N 337.423 2.537 0 50 EFAA Cc1ccc(CNC(=O)N[C@H]2CCCCC23CCNCC3)nc1C 891952324 GSWNJFMYIFUAOQ-KRWDZBQOSA-N 330.476 2.810 0 50 EFAA C[C@@H]1CCCN1CCNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 897504396 WTDBFJJYMCRPMA-YWTNHNAXSA-N 337.508 2.586 0 50 EFAA O=C(NCC1=CCCOC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 1336493593 CDJGNFZCRAQNPX-UHFFFAOYSA-N 348.353 2.621 0 50 EFAA C[C@@H](C(=O)Nc1cccc(CS(C)(=O)=O)c1)[C@@H](N)c1ccccc1 170048829 HWTSTSCRGMLSMY-CXAGYDPISA-N 346.452 2.506 0 50 EFAA C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nc(C(=O)O)cs2)o1 170643354 IXZCXUNSMHHWEP-DLSFUBIUSA-N 332.381 2.887 0 50 EFAA COc1cccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 170601276 JJOFWWOXDSSAIV-OLZOCXBDSA-N 349.431 2.608 0 50 EFAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 280979707 BDNRBQAPYWIVAQ-HNNXBMFYSA-N 327.384 2.559 0 50 EFAA COc1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1F 281724753 BQKMAEROIZARKG-DOTOQJQBSA-N 347.361 2.850 0 50 EFAA COC(=O)c1cc(Cl)cc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1 172498944 VNIZWKCQMMOMNX-STQMWFEESA-N 338.791 2.646 0 50 EFAA Cc1noc(CCNC(=O)N(Cc2c(F)cccc2F)C2CC2)n1 188193713 QWIIMPZCAHKLAC-UHFFFAOYSA-N 336.342 2.573 0 50 EFAA Cc1c(-c2ccccc2)[nH]c(SCCN2CCO[C@@H](C)C2)nc1=O 189481255 MZAMVJLXYKFEPL-ZDUSSCGKSA-N 345.468 2.558 0 50 EFAA COc1cnccc1[C@H](C)NC(=O)c1ccccc1-c1nnc(C)o1 189697056 OGDJAMWPPUPFDG-NSHDSACASA-N 338.367 2.940 0 50 EFAA CC(C)c1csc([C@@H]2CCCN(c3nc4[nH][nH]cc-4c(=N)n3)C2)n1 408514050 JYOLYXVCRFLVBU-SNVBAGLBSA-N 343.460 2.681 0 50 EFAA O=C1OCC[C@@H]1OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 221995553 FUEVIUMJFAWNTN-NCPXAXJUSA-N 343.217 2.579 0 50 EFAA Cc1cc(F)c(Br)cc1NC(=O)NCc1cnn(C)c1 190889487 IBKXBBWAIRREDY-UHFFFAOYSA-N 341.184 2.952 0 50 EFAA Cc1ccc([C@H](O)CNC(=O)c2c[nH]nc2-c2ccccc2F)o1 755815771 HVDYWZCQGQIHRQ-CQSZACIVSA-N 329.331 2.581 0 50 EFAA Cc1cccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c1C(N)=O 193396145 NNPHBZWOOGMQNF-UHFFFAOYSA-N 329.400 2.951 0 50 EFAA CO[C@H]1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1(C)C 652616932 HQIZNJSORSMGCD-HNNXBMFYSA-N 329.404 2.546 0 50 EFAA COc1cc(CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)on1 660220440 XMCKZLDZZCUJQU-AWEZNQCLSA-N 339.399 2.848 0 50 EFAA FC(F)(F)c1ccncc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 663160777 NXBJPYLNGCOLBJ-SSDOTTSWSA-N 336.277 2.737 0 50 EFAA O=C(CCc1ccc(F)cc1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529186400 DDQNFCIHVJRRFD-SJLPKXTDSA-N 328.387 2.527 0 50 EFAA CN(C(=O)c1cccc(NC(=O)CCC(=O)O)c1)c1ccccc1 12138840 QITCFIVYYVAMNI-UHFFFAOYSA-N 326.352 2.767 0 50 EFAA CCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 18094111 KSLYGOVGBNCNFM-HNNXBMFYSA-N 334.441 2.831 0 50 EFAA Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 18240502 IRSDRRMFQOPOEN-UHFFFAOYSA-N 340.408 2.600 0 50 EFAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccccc1F 169781423 MDUXFSOAWWEIEF-UHFFFAOYSA-N 347.353 2.860 0 50 EFAA CC(C)[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 115097528 SCLILCKTYUTVPP-WBMJQRKESA-N 343.876 2.978 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3ccccc3OC3CCC3)CCO2)o1 328609925 GDNSBEMWHSBGIX-INIZCTEOSA-N 343.383 2.523 0 50 EFAA O=C(c1c(O)cccc1F)N(Cc1ccncc1)C[C@H]1CCCO1 122015743 UWSPQDKYEPGYQL-CQSZACIVSA-N 330.359 2.748 0 50 EFAA COc1cccc([C@H](C(=O)O)N2CCc3cc(OC)ccc3C2)c1 634693076 PTQIOMDXDMBEQR-GOSISDBHSA-N 327.380 2.888 0 50 EFAA Cc1ccn(CC(=O)N2CCOc3ccc(C(F)(F)F)cc32)n1 450173296 PDZLGRPDZAFUSN-UHFFFAOYSA-N 325.290 2.636 0 50 EFAA COCCn1cc(CNC(=O)Nc2cc(Cl)c(Cl)cn2)cn1 337528603 HUSFABOXEORUPQ-UHFFFAOYSA-N 344.202 2.553 0 50 EFAA COc1ccc(Cl)c(C(=O)O)c1NS(=O)(=O)c1ccsc1 349994223 YRXXZKHKJGJQCM-UHFFFAOYSA-N 347.801 2.909 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cn1 364383076 UDSNJHNLLYYDPX-HNNXBMFYSA-N 335.411 2.687 0 50 EFAA Cc1cc([C@@H](C)NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)c(C)o1 390652003 JYMAGWXEQSVCMV-MRVPVSSYSA-N 341.385 2.844 0 50 EFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cccc(O)c3)C1)CC2 1704337523 VLQZJVMFPFODIG-FQEVSTJZSA-N 338.455 2.728 0 50 EFAA Cc1cc(C(=O)NC[C@](C)(O)c2cccc(Cl)c2)oc1C(=O)O 911501544 VEDGTOLLYFEIOR-INIZCTEOSA-N 337.759 2.577 0 50 EFAA Cc1c(Cl)cccc1N1CCCN(C(=O)C(C)(C)C(=O)O)CC1 911574433 QSJTXLXKEKUTOV-UHFFFAOYSA-N 338.835 2.798 0 50 EFAA CC(C)c1nsc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)n1 930420995 MFZNKXSSJIIWJT-MFKMUULPSA-N 349.460 2.884 0 50 EFAA COc1cc(O)ncc1C(=O)N1CCN(C2CC2)c2ccc(F)cc21 935463524 LUIGMMFEXQDUOS-UHFFFAOYSA-N 343.358 2.564 0 50 EFAA Cc1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[nH]c2=S)cc1 5797409 PRCMIDOWZXSBCE-UHFFFAOYSA-N 349.419 2.997 0 50 EFAA O=S(=O)(N[C@H]1CCCC[C@@H]1NCc1ccco1)c1ccccc1 317242 OWODGFDXSCAERM-IRXDYDNUSA-N 334.441 2.659 0 50 EFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc([C@@H]2CCCOC2)[nH][nH]1 2325781960 IYHCPUWHPXWRBX-SNVBAGLBSA-N 335.795 2.726 0 50 EFAA CN(C[C@]1(C)CCCO1)c1ccc2nnc(-c3cccc(F)c3)n2n1 2325789952 YSOBOTNORTXPDI-SFHVURJKSA-N 341.390 2.936 0 50 EFAA COC(=O)C1=C[C@@H](N[C@@H](Cn2ccnc2)c2ccccc2)CCC1 2325803749 ZDRXGAFTHWCOOM-ROUUACIJSA-N 325.412 2.866 0 50 EFAA Cc1ccc2c(CN3C(=O)[C@@H](C(C)C)NS3(=O)=O)c(C)ccc2c1 2325816244 LREPPPVSPJTGNB-QGZVFWFLSA-N 346.452 2.658 0 50 EFAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCOCC3)cc12 267442 QKZNLMOXLNYCRJ-UHFFFAOYSA-N 327.409 2.868 0 50 EFAA COC(=O)c1ccccc1NC(=O)NCCc1ccccc1OC 611100 BWRNPKGXNGYUDS-UHFFFAOYSA-N 328.368 2.846 0 50 EFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(F)ccc2F)C1=O 2356136823 LEHNZVFGYOMRGL-SFHVURJKSA-N 336.382 2.972 0 50 EFAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 2831095 MIEJUKLBWIDHFI-UHFFFAOYSA-N 325.368 2.632 0 50 EFAA Cc1ccccc1NC(=O)CC(=O)N(C)CC[C@@H](O)c1ccccc1 55183415 RQWVLSVSWASCOR-GOSISDBHSA-N 340.423 2.906 0 50 EFAA Cc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1C 10330358 GOBNIPWFXYVLML-UHFFFAOYSA-N 332.425 2.605 0 50 EFAA Cc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc2ccccc12 170545313 ZMAHQRYHLDIVGV-UHFFFAOYSA-N 345.410 2.536 0 50 EFAA N=c1n(CCO)c2ccccc2n1CCOc1ccc(Cl)cc1 20149537 UWDIAPIDAKYHNU-UHFFFAOYSA-N 331.803 2.647 0 50 EFAA C[C@@H]1CCCN(CCC(=O)N2CCN(c3ccccc3F)CC2)C1 20539974 CUJBWEPOFJDTJS-MRXNPFEDSA-N 333.451 2.596 0 50 EFAA Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)no1 20353754 NXCNJKZWEWRRJG-UHFFFAOYSA-N 337.782 2.734 0 50 EFAA O=C(NCc1nc2ccccc2[nH]1)Nc1nnc(-c2ccco2)s1 23153611 JGLVJJDYKPKRIT-UHFFFAOYSA-N 340.368 2.996 0 50 EFAA Cc1ccccc1OCCOC(=O)Cn1c(=O)sc2ccccc21 23115206 PWYLKLFMNFUDED-UHFFFAOYSA-N 343.404 2.994 0 50 EFAA CC(C)c1noc([C@H](N=c2nc(C3CC3)[nH]s2)C2CCOCC2)n1 328616023 ZNZRQUHNAPRYPM-GFCCVEGCSA-N 349.460 2.924 0 50 EFAA CC[C@@H](C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 123815417 FBMKNQYZAXYPDZ-IEBWSBKVSA-N 345.418 2.827 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)n1)N[C@H]1CCc2[nH]ncc2C1 123761839 PICOJPBSJHKOQG-VIFPVBQESA-N 325.294 2.503 0 50 EFAA COC1CCC(N(C)C(=O)NCc2nc3cc(C)ccc3n2C)CC1 283371789 NZFJYHVCVXVHDZ-UHFFFAOYSA-N 344.459 2.981 0 50 EFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1 67982437 KXOAAJZWZKWUGT-LJQANCHMSA-N 348.410 2.915 0 50 EFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)nc2)C1 67674703 ORUOAIFRXLHRKK-OAHLLOKOSA-N 340.427 2.939 0 50 EFAA CCc1nc([C@@H](C)NC[C@H]2CN(C)CCO2)oc1-c1ccccc1 124897825 XAZOXVGCNBOYEJ-ZBFHGGJFSA-N 329.444 2.885 0 50 EFAA COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1C(=O)O 237315918 UIRXEIUQTHYODS-HZPDHXFCSA-N 343.354 2.952 0 50 EFAA COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 2169422 GYSZUJHYXCZAKI-AWEZNQCLSA-N 345.395 2.512 0 50 EFAA biogenic,in-vivo CN(C)[C@@H]1CS(=O)(=O)[C@@]12CC1c3ccccc3C2c2ccccc21 31716335 DHIQQBILTIUGMZ-NBDWZHNGSA-N 339.460 2.765 0 50 EFAA Cc1nc2c(c(N[C@@H]3CCO[C@@H](c4ccnn4C)C3)n1)CCCC2 333753574 YDZADYNIBUEWLN-CXAGYDPISA-N 327.432 2.730 0 50 EFAA C[C@H]1c2ccsc2CCN1C(=O)Cc1ccccc1S(C)(=O)=O 284423512 FQRGIRZITGKEKY-LBPRGKRZSA-N 349.477 2.840 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(Cl)c1 333957060 HQYNVSOHIDCPDR-MRXNPFEDSA-N 341.860 2.689 0 50 EFAA C[C@H](C(=O)Nc1cc(C(F)(F)F)[nH]n1)[C@H]1OCCc2sccc21 331666049 YFWKAFVWHYCTAL-JVXZTZIISA-N 345.346 3.379 0 50 EFAA Cc1ccc(OCc2cccc(C(=O)N3C[C@H](C)N[C@@H](C)C3)c2)cn1 153412979 LZMRAWSJGODRIO-HOTGVXAUSA-N 339.439 2.791 0 50 EFAA CCn1ncc2c1CCC[C@@H]2NC(=O)C[C@@H](O)c1cccc(F)c1 362273019 MJLUJOXWTZVTHS-DOTOQJQBSA-N 331.391 2.659 0 50 EFAA CC1(C)C(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)C1(C)C 72133954 FQKRIZPKKDHYOY-AWEZNQCLSA-N 332.419 2.725 0 50 EFAA Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CC(O)C4)sc32)cc1 156153483 MEULGDMWLFVJKP-UHFFFAOYSA-N 341.436 2.580 0 50 EFAA O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1noc2c1CCCCC2 156658740 MYHQWOJUQRYBBO-DZGCQCFKSA-N 346.427 2.544 0 50 EFAA CC1(C)C[C@H](NC(=O)C2(O)CCSCC2)c2ccc(F)cc2O1 371276105 SIVVOHMNAWYWPA-ZDUSSCGKSA-N 339.432 2.802 0 50 EFAA CN1C[C@@]2(CCCN(C(=O)c3cn(C)c4ccccc34)CC2)OC1=O 72173921 FUNFIFHVBKTDFE-IBGZPJMESA-N 341.411 2.625 0 50 EFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc2ncccc2c1 215710090 YFCHIZJKUUPYIX-INIZCTEOSA-N 326.396 2.693 0 50 EFAA Cc1cnn(CCC(=O)N2CCC(Oc3ccccc3C)CC2)c1 77299099 NUSTUFNYCJVTCZ-UHFFFAOYSA-N 327.428 2.960 0 50 EFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(CC(C)C)C3CC3)ccc21 77343822 DEDZOGLLEHBPQE-UHFFFAOYSA-N 345.443 2.627 0 50 EFAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)c(C(F)(F)F)c1 375500823 YXDCHNPASXJHTJ-WDMOLILDSA-N 330.325 2.930 0 50 EFAA CCCN1CC2(CCN(Cc3cccc(O)c3)CC2)C[C@@H]1C(=O)O 72458464 FDQLRWGTPRCHCV-QGZVFWFLSA-N 332.444 2.543 0 50 EFAA COCCn1cc(CNC(=O)Nc2cccc(-n3cccc3)c2)cn1 337382276 BGZJKEJHEVQSTD-UHFFFAOYSA-N 339.399 2.642 0 50 EFAA O=C(c1c(Cl)nc2ccccn12)N1CCO[C@@H](c2ccco2)C1 176728494 AGFYDXUQOHVAAX-GFCCVEGCSA-N 331.759 2.794 0 50 EFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2ccnc2)cc1 38858798 NIXAIKZFRXYIDU-UHFFFAOYSA-N 335.363 2.590 0 50 EFAA CCc1c(C)cc(C(=O)N(C)[C@H](CC)c2ccccn2)c(=O)n1C 215742342 HFIVIXXSOXUHDG-QGZVFWFLSA-N 327.428 2.874 0 50 EFAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@](O)(CO)CC1 72144645 PRSFFDHOUFGOBA-HXUWFJFHSA-N 341.407 2.828 0 50 EFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCSc3cn[nH]n3)c2c1 77322726 YUDWFUCFYXJPRW-UHFFFAOYSA-N 341.440 2.800 0 50 EFAA O=C(Cc1ccc(F)c(F)c1)NC1CCN(Cc2cccnc2)CC1 176569545 XNZADANNYSBAPY-UHFFFAOYSA-N 345.393 2.683 0 50 EFAA C[C@H]1CCN(C(=O)NCc2cccc(CN3CCCC3=O)c2)C[C@H]1C 179298864 IXFWJRLXFKVPOZ-JKSUJKDBSA-N 343.471 2.997 0 50 EFAA CC(=O)c1ccc(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)s1 220244602 QOCNCEJIUPOMHZ-UHFFFAOYSA-N 343.452 2.925 0 50 EFAA O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 289675322 MYAPRLAPRHDJTE-UXLLHSPISA-N 348.406 2.660 0 50 EFAA C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 17072621 RHMICHSDXWYFJU-NEPJUHHUSA-N 349.500 2.785 0 50 EFAA O=C(NCCSc1cn[nH]n1)c1csc(-c2cccs2)n1 82134948 MECRQEKQRDMNFT-UHFFFAOYSA-N 337.455 2.512 0 50 EFAA C[C@@H](C(=O)NCc1nc2ccccc2o1)c1nnc(O)c2ccccc12 426493912 CUCQXXMRFSLGQI-LLVKDONJSA-N 348.362 2.897 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC(c3cccc(O)c3)CC2)cn1 97546626 RBBSDGQRNJONIG-UHFFFAOYSA-N 325.412 2.873 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1CC(N2CCCC[C@H]2C)C1 91426954 VQFSWVQMLNIGAJ-OAHLLOKOSA-N 332.492 2.800 0 50 EFAA COc1cc(CN(C(=O)c2cccc(C(=O)O)c2)C2CC2)ccc1O 97636598 VCGRKIYQSAXWSN-UHFFFAOYSA-N 341.363 2.904 0 50 EFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccc(O)cc3)[nH]c2C1 95365850 WHDNPHBAKZAOBG-ZDUSSCGKSA-N 349.390 2.861 0 50 EFAA Cc1ccc2oc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)cc2n1 180947966 QBIRSNNEVKVKBY-CQSZACIVSA-N 349.390 2.951 0 50 EFAA Cc1ccccc1CNC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91894892 SGSPTYXLDLOUAK-UZLBHIALSA-N 346.471 2.704 0 50 EFAA Cc1ccsc1[C@@H](CNC(=O)c1cnc(NC(C)C)nc1)N(C)C 97468664 MIBKCEALRVSRRL-CQSZACIVSA-N 347.488 2.700 0 50 EFAA COc1ccccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 230481037 CVIPZJQUNINXQG-OAQYLSRUSA-N 349.434 2.989 0 50 EFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CC(=O)N(C)C)CC2)C1 91616281 QKBIOMPANBAIDV-LJQANCHMSA-N 343.515 2.666 0 50 EFAA CCc1nnc(CNC(=O)CN2CCC[C@H](c3ccccc3)C2)s1 95520129 VFXGJJQWUCPVBH-HNNXBMFYSA-N 344.484 2.596 0 50 EFAA C[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[C@@]1(O)C1CCOCC1 91468302 KQHYDMGZMJDMCH-KUHUBIRLSA-N 343.427 2.741 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)NC1CCN(c2cnccn2)CC1 91706933 JGSHHUIAGMNFSH-INIZCTEOSA-N 336.439 2.682 0 50 EFAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2c3c([nH]c2c1)CCCC3 299788898 ULAFDMFKMDZEMF-ROUUACIJSA-N 328.412 2.580 0 50 EFAA Cc1cc(C(F)(F)F)nc(CNc2cc([C@@H]3CCOC3)ncn2)n1 299784301 SXUKZFFMSPTHTE-SNVBAGLBSA-N 339.321 2.710 0 50 EFAA CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)Nc3ncc(C)o3)cc21 1875279723 ALWAKFXMNGQDJN-JTQLQIEISA-N 349.412 2.644 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c(Cl)c1 1875278083 XRXPNKAOSLPNKT-GFCCVEGCSA-N 333.775 2.712 0 50 EFAA CO[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)NCc1cccs1 1875362661 OMTKKCZBHDKZGZ-CVEARBPZSA-N 337.466 2.870 0 50 EFAA C[C@](O)(CNCC1CCCCC1)C(=O)N[C@@H]1CCOc2ccccc21 1875326230 NHEJKEYUOXVIHJ-XLIONFOSSA-N 346.471 2.547 0 50 EFAA Nc1nccc2c1CN(C(=O)c1cc(Cl)nc(C3CC3)c1)CC2 1302093506 XSZDRVLGSNMQLT-UHFFFAOYSA-N 328.803 2.788 0 50 EFAA COc1c(F)cccc1C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 952985230 FKKMRMNBFKFEAX-UHFFFAOYSA-N 345.374 2.587 0 50 EFAA CC1(C)C[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)CCS1(=O)=O 888394462 VQOLRTDKJZJGQM-CQSZACIVSA-N 346.452 2.767 0 50 EFAA 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COc1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)cc1F 172348385 HBDOFARWCIXSIG-UHFFFAOYSA-N 346.406 2.653 0 50 EFAA CC(C)COc1ccc(CC(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 282632817 GKRQUFDLQKAQMO-KRWDZBQOSA-N 344.455 2.581 0 50 EFAA CNc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 412379680 GUUOWSXTJAOPKL-LPHOPBHVSA-N 328.387 2.669 0 50 EFAA CC1(C)CN=C(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)S1 225408935 IFLRNNAHTYNHIC-CVEARBPZSA-N 343.496 2.816 0 50 EFAA O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(c2ncnc3nc[nH]c23)C1 225460909 UIJNOCVHZDYAEL-SKDRFNHKSA-N 349.316 2.684 0 50 EFAA COc1cccc2c1CC[C@@H](NCc1ccccc1S(C)(=O)=O)C2 414229781 AAGGNWQCDUOWHH-MRXNPFEDSA-N 345.464 2.746 0 50 EFAA CN(Cc1ccncc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O 191751843 NOJAQKZVROUPBS-KRWDZBQOSA-N 329.831 2.968 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccoc1Cl 192443319 GIHVJTCQGZSETJ-ZDUSSCGKSA-N 348.786 2.782 0 50 EFAA CCO[C@H]1C[C@](NC(=O)c2cnc(C(C)C)s2)(C(=O)O)C1(C)C 193026262 QAUUJQICNGZMGL-ZBEGNZNMSA-N 340.445 2.655 0 50 EFAA 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341.289 2.664 0 50 EFAA Cc1ccccc1CN(CCN(C)C)C(=O)c1ccc2nccn2c1 55358770 VLJBUMZAYUBLKE-UHFFFAOYSA-N 336.439 2.847 0 50 EFAA CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 10372494 VFUUNEHGYCGWIK-MRXNPFEDSA-N 338.407 2.624 0 50 EFAA COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc(C)ccn2)CC1=O 9266265 ZASQQRROQNYROI-CQSZACIVSA-N 339.395 2.699 0 50 EFAA COc1nc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc2ccccc12 115436575 CRQRJPAXMMOZPV-AWEZNQCLSA-N 327.428 2.657 0 50 EFAA CCc1nn(C)c2[nH]nc(NC(=O)CCc3ccc(OC)c(F)c3)c12 115498071 CIDIWXLLHNHYFJ-UHFFFAOYSA-N 345.378 2.578 0 50 EFAA COC(=O)c1cc([C@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)ccc1O 65396445 JCDSCYJMHZMWBL-LLVKDONJSA-N 341.367 2.644 0 50 EFAA Cc1nc([C@@H]2CCCN2CC(=O)N[C@@H](C)Cc2ccccc2C)no1 229296303 QPYMKWWTFWBNQR-YOEHRIQHSA-N 342.443 2.571 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1)c1cnn(C)c1 252477646 SBHWVZKPJMTDCE-IAOVAPTHSA-N 328.416 2.780 0 50 EFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cc(O)n[nH]1 67689086 OLFCMMGYKVOHSY-UHFFFAOYSA-N 346.293 2.511 0 50 EFAA 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EFAA CCN(CC)CC(=O)Nc1cccc(I)c1 4991407 BDDPEXIVXXOVKG-UHFFFAOYSA-N 332.185 2.572 0 50 EFAA O=C(NC1CC1)C1(C(=O)N2CCC[C@@H](c3ccncc3)CC2)CCC1 952994642 SGHSVACTYAIMEG-OAHLLOKOSA-N 341.455 2.627 0 50 EFAA O=C(Nc1ncc2c(n1)CCCCC2)N1CC[C@@H](CN2CCCC2)C1 1875296698 JZJXIVCKBJEBSO-HNNXBMFYSA-N 343.475 2.695 0 50 EFAA COc1ccc(Cn2cnc3c(N)nc(C(F)(F)F)nc32)cc1C 1875280362 WUACJDRGKDEAAS-UHFFFAOYSA-N 337.305 2.793 0 50 EFAA CCOc1ccc(S(=O)(=O)N(C)C(=O)[C@@H]2Cc3ccccc32)cc1 1875264868 QMPBNKFARUPUSM-QGZVFWFLSA-N 345.420 2.572 0 50 EFAA COC12CC(CN(C(=O)[C@](C)(N)c3ccc(C(F)(F)F)cc3)C1)C2 1875293014 ZOULPGKSXQMJGF-YWCUFVOSSA-N 342.361 2.517 0 50 EFAA O=C(Nc1ccccc1-c1nc(C2CC2)no1)[C@@H]1[C@H]2[C@H]3C[C@H]1C(=O)[C@@H]23 1875324443 YZZPAISYSFBKDV-NXRJPMIISA-N 335.363 2.634 0 50 EFAA O=C(Cc1ccccc1)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 940218913 RDHWSWUTASFGHH-SFHVURJKSA-N 326.440 2.646 0 50 EFAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC[C@H](OC)C1 952981986 FBNCMOPBAJONCA-AWEZNQCLSA-N 341.473 2.927 0 50 EFAA 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C/C=C\C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C)C(=O)OCC 221847732 QWTSWHFPKQQNAF-RYWCDNDXSA-N 345.848 2.825 0 50 EFAA Cc1ncc(CN2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)cn1 639757054 DURJOWRGSFKEJX-UHFFFAOYSA-N 334.427 2.950 0 50 EFAA CC(C)c1nccc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 190450582 ZJQYFLGLYAMZBG-KRWDZBQOSA-N 325.460 2.953 0 50 EFAA Cc1nccn1C[C@@H](C)CNC(=O)N[C@H]1CCOc2c(F)cccc21 190435476 VYGROIDYOFMJCQ-LRDDRELGSA-N 346.406 2.790 0 50 EFAA NC(=O)c1ccc(Cc2nc(C3(c4ccncc4)CCC3)no2)cc1 656034362 BAMGYSMCPKWANW-UHFFFAOYSA-N 334.379 2.624 0 50 EFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@H]2CCCC[C@@H]21 659195002 NSEDIAXMTPDOID-MWNCTCPHSA-N 347.459 2.632 0 50 EFAA O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cc(Cl)ncc1Cl 781002674 JRWNIMBMOKGOJL-GFCCVEGCSA-N 336.178 2.534 0 50 EFAA COc1ccc(C(=O)O)cc1CN(Cc1c(C)nn(C)c1C)C1CC1 1529133751 GGEHHCWGFYRFMX-UHFFFAOYSA-N 343.427 2.908 0 50 EFAA CCC(=O)Nc1ccc(OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 213357910 SKKQBJZCHHLZCF-IRXDYDNUSA-N 346.427 2.584 0 50 EFAA CC1(C(=O)N2CCCN(c3ncccc3C(F)(F)F)CC2)CC1 1772811075 ODMWKPDTZOOEJE-UHFFFAOYSA-N 327.350 2.939 0 50 EFAA COc1cccc(CNc2nn[nH]n2)c1OCc1ccc(F)cc1 5019141 DXONAMACXCAIFO-UHFFFAOYSA-N 329.335 2.539 0 50 EFAA CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388220 RJMIHSMUWLOPIY-UHFFFAOYSA-N 347.374 2.752 0 50 EFAA Cc1ccnc(NC(=O)c2cccc(C(=O)Nc3cc(C)ccn3)n2)c1 5936268 JWZYAQKJBFOXPD-UHFFFAOYSA-N 347.378 2.993 0 50 EFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cc[nH]n2)C1 11664805 NGIGGGBLHIBWSV-LJQANCHMSA-N 327.428 2.798 0 50 EFAA CSc1ncccc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 11839420 MIUIPYQZPRXQQT-AWEZNQCLSA-N 347.484 2.715 0 50 EFAA COC(=O)c1ccc(-c2noc(CN(C)C[C@H]3CCCCO3)n2)cc1 12192729 XHKMGWFLXFVFQG-OAHLLOKOSA-N 345.399 2.524 0 50 EFAA O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12476262 XGZLOSJPMVVTHY-IBGZPJMESA-N 330.403 2.577 0 50 EFAA COCc1nn2c(=O)c(Cl)c(C)[nH]c2c1-c1ccc(OC)cc1 12862105 OUUATTKKLPAVJQ-UHFFFAOYSA-N 333.775 2.806 0 50 EFAA COCc1cc(C)[nH]c(=O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 13571094 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EFAA O=C1CCC[C@@H](OC(=O)CCc2csc(Br)c2)CN1 2325792575 ULVNWTBAGHKYKF-SNVBAGLBSA-N 346.246 2.655 0 50 EFAA C[C@H](NC(=O)c1cnc2[nH]ccc2n1)[C@H](O)c1c(F)cccc1Cl 2325865207 RXTUVPYODZTCJV-RTHLEPHNSA-N 348.765 2.602 0 50 EFAA CCc1nc2ccc(Nc3nccc(N4CCC[C@H](O)C4)n3)cc2[nH]1 2356169270 OIONNXOHROGKSV-ZDUSSCGKSA-N 338.415 2.620 0 50 EFAA CCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 4168206 PZWBQVIHXIUKHL-UHFFFAOYSA-N 333.409 2.639 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)C)cc1 4833818 FMPONXUYJKEEPR-MRXNPFEDSA-N 332.400 2.628 0 50 EFAA CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1 6744916 GEWMVGSCJQZJRC-UHFFFAOYSA-N 338.473 2.558 0 50 EFAA COC(=O)c1ccc(CNC(=O)c2nc(-c3cccs3)no2)cc1 6745770 LLGPDRHCNSXIDS-UHFFFAOYSA-N 343.364 2.515 0 50 EFAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1Cc1ccco1 9575686 QBXBDPSYQNVWGI-UHFFFAOYSA-N 343.346 2.748 0 50 EFAA CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cn3ccccc3n2)c1 55037076 BZDZUIZPKYFJGQ-UHFFFAOYSA-N 342.786 2.876 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 347436913 ROWSIZLERHZNEC-ZDUSSCGKSA-N 344.415 2.846 0 50 EFAA Cc1ccc(C)c(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 65363564 MZCKBOGSUNJAFR-HOTGVXAUSA-N 338.517 2.950 0 50 EFAA CCN(CCOc1ccccc1F)C(=O)Cn1nc(C)c(C)c1C 63870784 AHZZTSLUBMGYGH-UHFFFAOYSA-N 333.407 2.875 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ncc[nH]2)C1)C12CC3CC(CC(C3)C1)C2 67975389 XVFQROIYEKOCJQ-ZIUDEIKKSA-N 342.487 2.564 0 50 EFAA CC(C)c1nc2c(n1C)CCN(c1ccnc(N3CCCCC3)n1)C2 354075578 MERUGHAOMUGDQZ-UHFFFAOYSA-N 340.475 2.887 0 50 EFAA O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230129585 YTQSPBCFAYYTBQ-GVDBMIGSSA-N 326.400 2.951 0 50 EFAA CCOC(=O)[C@]1(C)C=C(O)C(=O)N1c1ccc(Br)cc1 22185109 WZDWMYLQKLWIFU-AWEZNQCLSA-N 340.173 2.559 0 50 EFAA COc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 355322940 VVNYCXDFQYKYSS-KRWDZBQOSA-N 326.396 2.514 0 50 EFAA Cc1nc2ccc(C(=O)NCC3(Cn4cccn4)CC3)cc2nc1C 65434357 MKNDUIUNUAKTCC-UHFFFAOYSA-N 335.411 2.653 0 50 EFAA Cc1ccc2[nH]c(=O)c(CN3CCC([C@@H](C)N(C)C)CC3)cc2c1 67723206 NFCAGOBJVUVFKZ-OAHLLOKOSA-N 327.472 2.999 0 50 EFAA C[C@H]1C[C@@H](N)CCN1C(=O)/C=C/c1cc(Br)ccc1F 237511938 VKCIAMZNZJRHOW-IUAREJLDSA-N 341.224 2.940 0 50 EFAA Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3COCC[C@@H]3O)ccc2n1 253396572 PIOLYLOXJJPDKB-QRQLOZEOSA-N 340.423 2.545 0 50 EFAA CC(=O)Nc1cccc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1 67587249 NEEQLNLQSDFJOB-QFBILLFUSA-N 332.444 2.904 0 50 EFAA CNS(=O)(=O)c1cccc([C@H](C)NCc2coc(C(C)C)n2)c1 253428344 JIWJDVVYERHXSU-LBPRGKRZSA-N 337.445 2.557 0 50 EFAA Cc1cccc2nc(CNc3cc(C(N)=O)ccc3N3CCCC3)cn12 253420851 ZLGIDJCJSAWXEK-UHFFFAOYSA-N 349.438 2.954 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c2ccc(Cl)cc12 284235983 KIUYHRQIMPZNJE-LBPRGKRZSA-N 344.806 2.635 0 50 EFAA Cc1cccc2ncnc(N3CCC[C@@H]3[C@@H]3COCC[C@]3(C)O)c12 284443850 ANSUYTOJZASEMN-GMBSWORKSA-N 327.428 2.695 0 50 EFAA O=S1(=O)CC[C@]2(CCCN(c3cccc(C(F)(F)F)n3)C2)C1 333721859 RNYVNXCYJHUXBN-ZDUSSCGKSA-N 334.363 2.506 0 50 EFAA COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 151122393 QAVKRRGDYYGJBL-FXAWDEMLSA-N 345.439 2.594 0 50 EFAA COCC1(C)CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2O)CC1 330661451 VQJLJXYYRLKSGB-UHFFFAOYSA-N 335.448 2.677 0 50 EFAA CC(C)=CCN1CCN(c2cc(C)nc(C(C)C)n2)C[C@H]1CCO 72407212 WVWYFLRBBMMGML-QGZVFWFLSA-N 332.492 2.748 0 50 EFAA O=C(NC[C@H](c1ccccc1)C1CCCC1)C1CCS(=O)(=O)CC1 71758774 UZDHQLSYEYMVPQ-GOSISDBHSA-N 349.496 2.901 0 50 EFAA COc1ccc(-c2nc(C(=O)N3CC[C@@H](N)C[C@@H]3C)c(C)o2)cc1 237462229 SOHZDZGGDLYXGH-SMDDNHRTSA-N 329.400 2.610 0 50 EFAA CC(=O)N1C[C@@H](C)CN(Cc2cn3cccnc3n2)c2ccccc21 363313139 DRGMABXRTDQRQU-AWEZNQCLSA-N 335.411 2.739 0 50 EFAA Cn1c(CN2CCO[C@@H](C3CCCCC3)C2)nc2ccccc2c1=O 368333394 QRRSWJJCSQQGQL-GOSISDBHSA-N 341.455 2.715 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C(=O)O)CC1 237640818 DSLHKIOHYLTWJJ-VIFPVBQESA-N 329.755 2.570 0 50 EFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 370486380 YBUJSOALRWNWNR-AWEZNQCLSA-N 349.438 2.797 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1c[nH]c2ccccc12 261845479 IZEMWMSIXUVUEO-DQYPLSBCSA-N 326.396 2.955 0 50 EFAA O=C(Nc1nc(SCc2ccccc2)ns1)N1CCOCC1 157735821 LIKIEHQULSAXIM-UHFFFAOYSA-N 336.442 2.695 0 50 EFAA CN(C)c1cccc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 39389215 XLHNZIWZOKWEHZ-UHFFFAOYSA-N 342.472 2.905 0 50 EFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CN1CCCCC1 15062995 CQJDRVQUEXWYRS-CQSZACIVSA-N 339.443 2.510 0 50 EFAA CC(C)(C)c1ccccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 262965595 OFXVYBNRGOSFBT-OAHLLOKOSA-N 333.428 2.841 0 50 EFAA Cc1ncc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)n1 239882240 DARQVZZYJMDELT-GOSISDBHSA-N 325.412 2.679 0 50 EFAA C[C@H]1C[C@H](NC(=O)c2cnc(S)n2-c2ccccc2)C[C@@H](C)O1 240333641 FENWHMLXTYBLCU-CLLJXQQHSA-N 331.441 2.847 0 50 EFAA Cc1ccc(F)c(N2CCC(NC(=O)CCc3ccncn3)CC2)c1 242324457 ZBLMHYUNDYXXCB-UHFFFAOYSA-N 342.418 2.642 0 50 EFAA CCn1nccc1CCNC1(c2ccc(OC)c(F)c2)CCOCC1 338539048 CWHFEFWUOXMPNC-UHFFFAOYSA-N 347.434 2.889 0 50 EFAA COCCOc1cccc(NC(=O)N[C@H](C)Cn2nc(C)cc2C)c1 76333156 JUQIJZGEXNNKLU-CQSZACIVSA-N 346.431 2.735 0 50 EFAA COc1ccc(F)c(F)c1CN1CCCC[C@H]1CCNC(C)=O 77378158 LKQUWKPKGSHTBM-ZDUSSCGKSA-N 326.387 2.854 0 50 EFAA CCCN1CC2(CCN(Cc3ccc(O)cc3)CC2)C[C@H]1C(=O)O 72425109 ANGUSEUMGUQXEH-KRWDZBQOSA-N 332.444 2.543 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 72440555 ZSHHQILSBPYTHS-GOSISDBHSA-N 330.472 2.700 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2ccc(C(C)=O)s2)C1 82133997 YSZWPYZPJAYQGV-UHFFFAOYSA-N 331.393 2.863 0 50 EFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCO[C@H]1CCCC[C@H]1C 177424278 NWJMZTILCMGTQE-DOMZBBRYSA-N 346.431 2.709 0 50 EFAA Cc1[nH]nc(CCC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1C 223361469 ZFDBUZQRCHFLLK-VLQPXKRTSA-N 331.460 2.669 0 50 EFAA C[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 223242947 WDLPUPWAGRGHGW-BDJLRTHQSA-N 334.379 2.615 0 50 EFAA CCc1nc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)nn1C 48063497 ZYNUHQUHVBNFTJ-HNNXBMFYSA-N 325.372 2.882 0 50 EFAA C[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCN(C2CCC2)C1 292048432 ASORCTHXQFKLRV-AWEZNQCLSA-N 325.460 2.518 0 50 EFAA O=C(C1Cc2ccccc2C1)N1CCCN(Cc2cccnc2)CC1 426618371 PTUYKUXQNPUBGT-UHFFFAOYSA-N 335.451 2.531 0 50 EFAA CN1CCc2[nH]nc(C(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)c2C1 426508121 QRTUVQPBLBFJRH-MRXNPFEDSA-N 338.455 2.663 0 50 EFAA O=C(Nc1cccnc1Cl)N1CCN(C2CCSCC2)CC1 95512029 PSSSYCCSTFANKE-UHFFFAOYSA-N 340.880 2.780 0 50 EFAA CCc1ncc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1 95362100 MMAHQVLZCVZBPP-UHFFFAOYSA-N 329.404 2.565 0 50 EFAA Cc1cc(C)cc(N2CCN(c3cccc([C@@H](C)O)n3)CC2=O)c1 95525639 MVHCUTHBUHQSQP-OAHLLOKOSA-N 325.412 2.605 0 50 EFAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1Cc2ccccc2CN1C 95522881 GPHUDYQCSUKRTQ-SFHVURJKSA-N 339.439 2.569 0 50 EFAA CN(C)[C@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@H]1CCCO 92064993 WKLUTWPYESVDLR-WBMJQRKESA-N 346.302 2.913 0 50 EFAA N[C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C1CC1 91469010 UBWIPICBHSFPAC-MOPGFXCFSA-N 342.464 2.711 0 50 EFAA CC[C@@](O)(CCCO)CNC(=O)c1cc(Cl)c(C)c(Cl)c1 95365893 RSSVRLHCMXHLEI-OAHLLOKOSA-N 334.243 2.945 0 50 EFAA NCCc1ccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1 91997628 XIEOELKMMAJPEW-UHFFFAOYSA-N 341.499 2.555 0 50 EFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ncoc2C)cc1 97527208 KYHDLWNBCWOVSB-KRWDZBQOSA-N 344.411 2.856 0 50 EFAA CN[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 269135034 QCRCQFVDTSJOQH-LLVKDONJSA-N 348.859 2.715 0 50 EFAA COCCc1noc([C@H]2CCCN(c3nccc(C(C)C)n3)C2)n1 95375124 GHBVMEBJBNWJBH-ZDUSSCGKSA-N 331.420 2.556 0 50 EFAA CC(C)(C)c1csc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)n1 244874529 XCXRCRHMTLPSNM-LBPRGKRZSA-N 347.488 2.982 0 50 EFAA O=C(Cc1cccnc1)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 252551054 TWJVWKHIDLNESE-PLMTUMEDSA-N 347.418 2.801 0 50 EFAA Cc1nccc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 253378450 FGMZYJLHKQJJOU-GMBSWORKSA-N 348.406 2.575 0 50 EFAA Oc1cc([C@H]2C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2)ncn1 253535550 BOXNWUDXIXPRFP-MAEOIBBWSA-N 338.455 2.682 0 50 EFAA CC(C)OCCCNC(=O)c1ncn2c1CO[C@@H](c1ccccc1)C2 263618836 VSXQCYDGGBDYCI-QGZVFWFLSA-N 343.427 2.700 0 50 EFAA Cn1cccc1-c1cc(C(=O)NCc2nc3c(s2)CCCC3)[nH]n1 299788834 WCWRIPSUDZWPDU-UHFFFAOYSA-N 341.440 2.681 0 50 EFAA CN1C(=O)COc2ccc(C(=O)NCCSC3CCCCC3)cc21 299756658 CWGFKYVZBACYSW-UHFFFAOYSA-N 348.468 2.838 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1 299780789 CQQHNRVBBZYBRP-SNVBAGLBSA-N 339.754 2.565 0 50 EFAA CC[C@@H](C)Cc1nc(CN2CCCC2=O)n(-c2cccc(C)n2)n1 822620047 RYVDOWKOZCJQIL-CYBMUJFWSA-N 327.432 2.682 0 50 EFAA Cc1nccc(C2CCN(C(=O)NCC[C@H](C)N3CCCC3)CC2)n1 584886340 SVSYYXBRNDLDGW-HNNXBMFYSA-N 345.491 2.548 0 50 EFAA CCc1nc(C)sc1CNC(=O)N1CC[C@H](O)CC(C)(C)C1 584903271 TWCVXDWPRRHWIJ-LBPRGKRZSA-N 325.478 2.706 0 50 EFAA CCN(CC(F)(F)F)C(=O)NCCc1noc(C2CCCC2)n1 670452783 SURIWUANTBYBTR-UHFFFAOYSA-N 334.342 2.864 0 50 EFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccncc3Cl)C2)o1 952890580 FATRZMOVDLCVNU-MNOVXSKESA-N 334.807 2.822 0 50 EFAA CCC(CC)(CN1C(=O)NC2(CC(C)(C)OC(C)(C)C2)C1=O)OC 1875283132 HIAPJHLKERKYJU-UHFFFAOYSA-N 340.464 2.850 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)Nc2cc(C(C)(C)F)on2)c1 1875280006 OZFZXRDRRYOFFN-UHFFFAOYSA-N 330.385 2.533 0 50 EFAA c1ccc(-n2nnc3ccccc32)c(CN[C@H]2C[C@@H]3COC[C@@H]3C2)c1 1875299026 WDWFDNRPIRSJHC-FVQHAEBGSA-N 334.423 2.935 0 50 EFAA C=CC(=O)NCC1(CCNC(=O)c2cc3cccc(F)c3o2)CC1 1875370853 GMTJLXSTQWJKFT-UHFFFAOYSA-N 330.359 2.774 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccnn2[C@H]2CC2(F)F)c2ccccc21 1875404624 OZOINQWHRKVGGG-YGRLFVJLSA-N 347.321 2.682 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1cc2n(n1)CCC2 886094903 GYDCYXBSRUVDJX-HGQUKEQDSA-N 343.475 2.608 0 50 EFAA Fc1ccc(-n2nccc2CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)cc1 888078165 SPUQPAVFIVINSC-ACJLOTCBSA-N 341.390 2.602 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(Cl)cc3c2OCC3)C1 888079233 NMAQFGWGTWTQGP-HUUCEWRRSA-N 333.819 2.960 0 50 EFAA C[C@@H]1CC=CC[C@H]1NC(=O)NCCc1cnc2c(Cl)cnn2c1 895071320 ICCBIUDSLIOLAT-BXUZGUMPSA-N 333.823 2.579 0 50 EFAA CCN(CC)CCNC(=O)c1ccc(NCc2cnsc2)cc1 1363876106 TXFITZCDUBRMHO-UHFFFAOYSA-N 332.473 2.827 0 50 EFAA COc1ccccc1CN1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565508498 IPVNGSOWTPGOSY-JXFKEZNVSA-N 339.391 2.758 0 50 EFAA CC[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccs1 170086467 XRZACWPFODZLDS-KBPBESRZSA-N 339.505 2.686 0 50 EFAA O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCCN(C2CCCC2)CC1 172418900 FQNCKGDBQKKHDU-KRWDZBQOSA-N 341.455 2.589 0 50 EFAA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCCOCC1 282322789 OVSLRJAPZLRGIS-LBPRGKRZSA-N 337.363 2.861 0 50 EFAA Cc1nsc(N2CCCN(c3ncnc4scc(C)c34)CC2)n1 408470561 QWCDDVPLQQETIR-UHFFFAOYSA-N 346.485 2.876 0 50 EFAA Cc1cccc(C2(NC[C@H](O)CC3(O)CCOCC3)CCCC2)c1 639526786 IUCYKGSVGCLOEE-GOSISDBHSA-N 333.472 2.646 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2CN2CCCC2)cn1 189717934 OHGJXMYSSRTWNG-YOEHRIQHSA-N 331.464 2.946 0 50 EFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225584906 WJUOVOVAIHZOEC-CABCVRRESA-N 330.359 2.948 0 50 EFAA C[C@H](O)CN(C(=O)N[C@H](C)c1cc(Cl)ccc1Cl)[C@@H](C)CO 225513433 ZOGOWHOFJXDETF-GARJFASQSA-N 349.258 2.828 0 50 EFAA CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(C3CC3)cc2)C1 191593914 NKLMAJYFBCMDQA-INIZCTEOSA-N 329.444 2.622 0 50 EFAA C[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)N(C)C 192272320 BIDQBBGBEDBQMO-ZDUSSCGKSA-N 333.432 2.744 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 195327239 AEUXVEJUJXEZER-CABCVRRESA-N 349.456 2.662 0 50 EFAA CCc1ccc(CN2CCCN(C(=O)c3c(C)ncnc3C)CC2)o1 1529166995 CAJCIPOORYJLGG-UHFFFAOYSA-N 342.443 2.597 0 50 EFAA Cc1cnn(C2CCCC2)c1NC(=O)Cn1c(=O)oc2ccccc21 1529161241 DXNASLKZWGONGO-UHFFFAOYSA-N 340.383 2.853 0 50 EFAA Cc1cnc(NC[C@H](O)C23CC4CC(CC(C4)C2)C3)nc1N(C)C 1529189353 NDORJRVZBXRGIS-DZPQGLOJSA-N 330.476 2.840 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CC3CCCC3)C1)CC2 1704335577 BRCPPCHGPYFALM-HXUWFJFHSA-N 342.487 2.929 0 50 EFAA COc1ccc(NC(=O)[C@H](C)n2nc(C)c(C)cc2=O)cc1Cl 1848442528 WSMSEKIXAAKUAP-NSHDSACASA-N 335.791 2.722 0 50 EFAA O=C1CN(C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CCN1 11839918 BBOZQRSNLIDVLJ-MRXNPFEDSA-N 342.826 2.820 0 50 EFAA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 12138117 FHRRIIOSEDBCSL-CQSZACIVSA-N 346.452 2.945 0 50 EFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccccc1 12296940 NUZBHVGSKVSVHJ-UHFFFAOYSA-N 348.406 2.874 0 50 EFAA biogenic CCOc1ccc2[nH]c(=O)c(-c3nccn3CCCCO)cc2c1 1857682108 IBLDNWJLVSWSQA-UHFFFAOYSA-N 327.384 2.563 0 50 EFAA O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CCc2ncnn2C1 1857697194 JUBGYAAGLHUZSP-AWEZNQCLSA-N 342.418 2.608 0 50 EFAA C[C@H](NC[C@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1 225583123 STQGWJWPAJFOHU-HOTGVXAUSA-N 349.438 2.988 0 50 EFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCOCC1 238105737 PNVOZUTUEPOBGJ-GJZGRUSLSA-N 337.803 2.536 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nncn1C 252517754 QMVMBOWFDBGIHV-DLOVCJGASA-N 338.333 2.815 0 50 EFAA C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(F)c1 266084385 VLSKVFIAJIXKEE-RDTXWAMCSA-N 340.398 2.847 0 50 EFAA CN(Cc1cnns1)[C@@H](C(=O)O)c1cccc(Br)c1 905376592 MYORQUCOKDSZSD-LLVKDONJSA-N 342.218 2.558 0 50 EFAA CCN1CCN(c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)CC1 915319976 DEAKPBVTCQFGRZ-YJBOKZPZSA-N 346.475 2.518 0 50 EFAA CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 820093187 QMQWWMUSIJSKSU-FVQHAEBGSA-N 338.455 2.567 0 50 EFAA CCc1n[nH]cc1C(=O)NCc1cc(Br)cc(OC)c1 830427552 RMDXVMFRBMBCMI-UHFFFAOYSA-N 338.205 2.673 0 50 EFAA Cc1cc(NC(=O)N[C@@H](c2cnn(C)c2)C(C)C)cn2ccnc12 931553636 GBRSQAQKSCOYRR-OAHLLOKOSA-N 326.404 2.895 0 50 EFAA CN(CC(=O)Nc1ccccc1Br)CC1=CCCOC1 350052944 LRPYGUMHLYCKQY-UHFFFAOYSA-N 339.233 2.666 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(C)o2)c1 546306 WPNRKSLKGMWAJF-UHFFFAOYSA-N 345.351 2.733 0 50 EFAA CC1(C)CCCO[C@H]1CCNC(=O)[C@H]1CCCN1Cc1ccccn1 2325782772 FDXHLFAOKYJIMV-MSOLQXFVSA-N 345.487 2.758 0 50 EFAA CC1=NOC2(C1)CC(C(=O)N1CCN(c3ccc(F)cc3F)CC1)C2 2325784673 BHLRVEMRRSQQKB-UHFFFAOYSA-N 349.381 2.558 0 50 EFAA CCC[C@@H](C(=O)N[C@@H](C)c1ncon1)n1sc2ccccc2c1=O 2325784817 LVGMDGSJSKKTKS-JQWIXIFHSA-N 346.412 2.665 0 50 EFAA C[C@H]1CNC[C@H](CC(=O)Nc2ncc(-c3ccc(F)cc3)s2)O1 2325795606 PHXWZOSOOSDOHR-GWCFXTLKSA-N 335.404 2.655 0 50 EFAA CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CC(c3nc(C(=O)O)co3)C1)C2 2325808723 BDXRFWFYTFYIFC-XIKOKIGWSA-N 347.415 2.650 0 50 EFAA COC1CC2(CCN(S(=O)(=O)c3cnc(Cl)cc3C)CC2)C1 2325890799 POVUTSMIKZJKPW-UHFFFAOYSA-N 344.864 2.623 0 50 EFAA CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 245316728 KJZIICMAGKMOKZ-JFIYKMOQSA-N 343.471 2.678 0 50 EFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 527981 MSWSBXMWECGPAH-UHFFFAOYSA-N 348.424 2.634 0 50 EFAA Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)s1 539788 OOCWTCGNHXPQCP-SNVBAGLBSA-N 339.829 2.924 0 50 EFAA c1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)nc1 1016516 KFIOYBNFHUYIDM-CYBMUJFWSA-N 337.364 2.760 0 50 EFAA CCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 2060818 XXJNPWIAAJTFLH-UHFFFAOYSA-N 338.477 2.896 0 50 EFAA aggregator CSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(N)=O 4240975 LQPGMZRJIRKDEN-UHFFFAOYSA-N 344.240 2.588 0 50 EFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1OC(F)F 6086781 ULIBVYLSAMNJAP-UHFFFAOYSA-N 345.305 2.637 0 50 EFAA CCCNC1=C(C(=O)Nc2ccccc2)S(=O)(=O)c2ccccc21 10006565 PXOCSDWIKJINSF-UHFFFAOYSA-N 342.420 2.781 0 50 EFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(c2ccccc2)CC1 248102956 OIHDGHPIFAVPNE-ZIFCJYIRSA-N 329.488 2.750 0 50 EFAA Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1 55413290 COZVGOKLZLOUCW-UHFFFAOYSA-N 338.411 2.736 0 50 EFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc[nH]c1 117849445 WXRXWFQFDOHSTI-HNNXBMFYSA-N 327.384 2.575 0 50 EFAA CCC(C)(CC)NC[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67696768 VLFHTQMAUFEFHV-HXUWFJFHSA-N 348.487 2.717 0 50 EFAA COc1ccc(-c2ccc(C(=O)NCCc3csc(N)n3)o2)cc1 65395077 DYTIFBYZGZDTNO-UHFFFAOYSA-N 343.408 2.966 0 50 EFAA CN(C[C@H]1CCCO1)C(=O)c1coc(COc2cccc(F)c2)n1 67490816 JKWMXOBPQXGTHO-CQSZACIVSA-N 334.347 2.644 0 50 EFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1 282986181 BXFPJTGSYRYULR-CABCVRRESA-N 347.415 2.568 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCN2C(=S)NCc2ccccc2)C[C@@H](C)O1 229682269 DOEXQRBEEXPMMD-JFIYKMOQSA-N 347.528 2.635 0 50 EFAA COc1cccc(C)c1C(=O)N[C@@H]1COCC[C@@H]1Oc1ccccc1 219192846 WQGOGNHYUJQYPP-SJORKVTESA-N 341.407 2.970 0 50 EFAA CCCc1cc(N2CCN(Cc3[nH]nc(C)c3Cl)CC2)nc(C)n1 67673382 LSCGGYOXRNIOBO-UHFFFAOYSA-N 348.882 2.745 0 50 EFAA Cn1ccnc1[C@H](O)C1CCN(Cc2nc3ccccc3o2)CC1 120473944 VXWOEAIQOGGESB-QGZVFWFLSA-N 326.400 2.507 0 50 EFAA COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1O 67675643 BMNFFXSFUGEZAO-HNNXBMFYSA-N 334.460 2.775 0 50 EFAA CCN1CC[C@H](NCC(OC)OC)[C@@H]1c1ccc(Cl)c(F)c1 253393099 RJRIQPRBSIDRCB-HOCLYGCPSA-N 330.831 2.823 0 50 EFAA CCn1nc(C)c([C@H](C)NC(=O)c2cc(CC(C)C)nn2C)c1C 65454672 AZGXQXAJODWKHD-LBPRGKRZSA-N 331.464 2.943 0 50 EFAA CC(C)n1ncc(C(=O)N2CC[C@]3(CCCN(C)C3)C2)c1C1CC1 356314292 PLVNEZNRTXTANR-IBGZPJMESA-N 330.476 2.899 0 50 EFAA CCNC(=O)N(C)c1cccc(NC(=O)NC2(COC)CCC2)c1 253420506 AQDJRSQSXZNIQA-UHFFFAOYSA-N 334.420 2.543 0 50 EFAA CCCc1cc(N2CCN(c3cccc(O)c3)CC2)n2nccc2n1 72457897 DXMJNYNIEAGGSG-UHFFFAOYSA-N 337.427 2.714 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3nc4c(s3)C[C@@H](C)CC4)O2)n1 328628590 NXTXLWCUYVTKTF-SUHUHFCYSA-N 348.472 2.969 0 50 EFAA CCCc1ncncc1C(=O)NCc1cc2c(cc1OC)CCC2 215657705 DLELGQYFMJEHSL-UHFFFAOYSA-N 325.412 2.856 0 50 EFAA Cc1ccc2nc(SCC(=O)NCCn3cnc(C)c3C)[nH]c2c1 216032585 OITQFKZQKRJZSZ-UHFFFAOYSA-N 343.456 2.593 0 50 EFAA Fc1cccc(Cc2noc(CN3CC[C@@]4(CCCOC4)C3)n2)c1 367062911 QWYPUDYFQZAZLS-SFHVURJKSA-N 331.391 2.802 0 50 EFAA CCOc1ccc([C@H](O)C2CCN(C(=O)C3=CCOCC3)CC2)cc1 367839711 NDGAWEFGWGVUCC-IBGZPJMESA-N 345.439 2.704 0 50 EFAA COc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1OC 39455570 DRZNODKILSSITQ-GOSISDBHSA-N 348.487 2.515 0 50 EFAA O=S1(=O)CCN(c2ncccc2C(F)(F)F)CCC12CCC2 334126935 QDVFZNGSCYZUHH-UHFFFAOYSA-N 334.363 2.648 0 50 EFAA COc1ccccc1O[C@H]1CCCN(C(=O)c2cnc(O)cc2C)C1 376476222 YIDQYTWFQZPONK-AWEZNQCLSA-N 342.395 2.788 0 50 EFAA Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCN(c2ccccn2)C1 129774376 FKQZVSJAIJNGBK-ZDUSSCGKSA-N 327.388 2.656 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCc1ccc(O)cc1 72480546 FCHVMWFBMAYLPK-IBGZPJMESA-N 338.451 2.840 0 50 EFAA COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 241124405 JHZLFNUVJVXGMQ-WTTBNOFXSA-N 344.386 2.553 0 50 EFAA CC(C)n1cnc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c1 242156002 WUZVLBYHPKUICE-CYBMUJFWSA-N 332.379 2.682 0 50 EFAA COc1cnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)nc1 337740590 AVZLAKUHPNCYCT-UHFFFAOYSA-N 347.318 2.613 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1F 223395142 WSFRQVMIRIXWAR-NSHDSACASA-N 329.318 2.892 0 50 EFAA O=C1CC[C@@]2(CCCN(C3CCCCC3)C2)CN1CCc1c[nH]cn1 82167019 LZNLBCGBHPURCZ-HXUWFJFHSA-N 344.503 2.990 0 50 EFAA C/C=C/CN1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1 82108754 BMHMQILDBYFWPR-NSCUHMNNSA-N 330.476 2.656 0 50 EFAA CCOC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCC2 17071107 UYTVNZKDGVRHNK-VIFPVBQESA-N 339.413 2.853 0 50 EFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)NC[C@@H]1CCCCO1 426445164 VJIGXCFMPVEWBS-KRWDZBQOSA-N 346.406 2.722 0 50 EFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1ncoc1C)CC2 426397623 RPWRQUHPDBKDJI-RLFYNMQTSA-N 334.416 2.562 0 50 EFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccc(Cn2ccnc2)o1 426504404 BXGLEELPUQQVJN-AWEZNQCLSA-N 329.400 2.746 0 50 EFAA O=C(C1CCOCC1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 82156543 FNXLQQKDUWIISL-AWEZNQCLSA-N 327.428 2.771 0 50 EFAA COc1ccccc1OC1CN(C(=O)c2c(OC)cccc2OC)C1 222498980 WMXVTCDXIUVTSC-UHFFFAOYSA-N 343.379 2.616 0 50 EFAA Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(-c2ccccc2)o1 426584012 LOSYJTUMHHQYEF-AWEZNQCLSA-N 326.352 2.532 0 50 EFAA CSc1ncc(CN2CCN(c3ccc(F)cc3F)CC2)cn1 220271982 IPCUQZYNHRWIBW-UHFFFAOYSA-N 336.411 2.799 0 50 EFAA Cc1cc(C)n(CCCC(=O)N[C@@H](CC(=O)O)c2ccccc2)n1 426734202 ALRMEUHTBOIJEA-INIZCTEOSA-N 329.400 2.612 0 50 EFAA Cn1c(CN2CC[C@H](Cc3cccc(C(N)=O)c3)C2)nc2ccccc21 91943519 XYVXLCUGBYGDBT-MRXNPFEDSA-N 348.450 2.737 0 50 EFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 91551962 SCNNGJKURJFMME-CYBMUJFWSA-N 349.381 2.828 0 50 EFAA CC(C)N1CC2(CCC1=O)CCN(Cc1nnc(C3CC3)o1)CC2 91746410 MEBWIZPMRPAMPO-UHFFFAOYSA-N 332.448 2.560 0 50 EFAA CN(C(=O)c1cccn1C1CC1)[C@@H]1CCN(c2ccccc2F)C1=O 181838870 GTJONGDGVGRBBQ-MRXNPFEDSA-N 341.386 2.840 0 50 EFAA Cc1ccc([C@H](NC(=O)C2(O)CCN(C)CC2)c2cccs2)cc1 97521946 KZWPYWMDOIJJPX-KRWDZBQOSA-N 344.480 2.719 0 50 EFAA CCN1CCC[C@@](C)(C(=O)NCCCc2nc3ccccc3n2C)C1 91932375 YDPHUMYVGVTUKX-HXUWFJFHSA-N 342.487 2.744 0 50 EFAA O=C(c1ccc(CO)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 92081449 ZQPQWXHRHZZAHB-IEBWSBKVSA-N 328.456 2.515 0 50 EFAA COc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc(C)n[nH]3)CC2)cc1 244718953 LUBLJRKYJUEKQL-OAHLLOKOSA-N 326.400 2.517 0 50 EFAA CC[C@@H]1C[C@@H](C(=O)NC2CCN(c3ccccc3OC)CC2)CCO1 183648475 HPTKIUMZVHRTLM-DOTOQJQBSA-N 346.471 2.985 0 50 EFAA CC1CCC(N2CCN(CCOc3ccccc3C(=O)O)CC2)CC1 183936320 FNRQGFYBPCTMTR-UHFFFAOYSA-N 346.471 2.960 0 50 EFAA Cc1cc(C(=O)N[C@@H](C)c2cccnc2)cc(C)c1OCC(=O)O 185004097 YIIWZFKIAIEQAI-ZDUSSCGKSA-N 328.368 2.653 0 50 EFAA CN(CCN1CCCCCC1)C(=O)NCCN(C)c1ccccc1 534663458 WFXRUTIATMQOCA-UHFFFAOYSA-N 332.492 2.640 0 50 EFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2ccccc2)CNC3=O)c1 263618567 UJYQLIQTIQAOEN-IBGZPJMESA-N 348.406 2.591 0 50 EFAA Cc1ccc(SC2CCN(C(=O)N[C@@H]3CCCNC3=O)CC2)cc1 534656664 CHYBWHZHCLYMSR-MRXNPFEDSA-N 347.484 2.540 0 50 EFAA CCOc1ccc(C(=O)N2CCN(CCSC)CC2)cc1Cl 299759357 RDMSVBPNFUFYBZ-UHFFFAOYSA-N 342.892 2.860 0 50 EFAA CCc1nc2cc(NC(C)=O)cc(C(=O)O)c2n1Cc1cccnc1 299792144 DXVVCYVQPRXVAN-UHFFFAOYSA-N 338.367 2.699 0 50 EFAA Cc1ccc(-c2nnc(NC(=O)CCc3ccnn3C)s2)cc1 1506400162 BBNLUVCUCJKLRT-UHFFFAOYSA-N 327.413 2.818 0 50 EFAA Clc1nc2sccn2c1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 952892172 CIZOOKJYTHBMQU-ZCFIWIBFSA-N 347.791 2.686 0 50 EFAA O=C(c1cc(-c2ccc(F)cc2)on1)N(C1CC1)[C@@H]1CCCNC1 1875277837 IORIEJNEJCOACC-OAHLLOKOSA-N 329.375 2.837 0 50 EFAA O=C(CN1CCC[C@@H](C(=O)O)C1)Nc1cccc2cc(F)ccc12 1875277396 KILKGUAXZCIJGK-CYBMUJFWSA-N 330.359 2.714 0 50 EFAA CCn1nc2c(c1C(=O)N1CCc3cccnc3C1)C[C@H](C)O[C@@H]2C 1875314102 HIIVQLWVBQZSNO-QWHCGFSZSA-N 340.427 2.519 0 50 EFAA O=C1[C@@H](c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)CCN1C1CC1 1875328546 XRRKJSIWQMWNQY-CQSZACIVSA-N 335.367 2.605 0 50 EFAA C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@H]1N2c1nc(C(C)(C)C)ns1 1875407850 IYRLFVKMURWPSA-MQLXINIDSA-N 348.516 2.965 0 50 EFAA Nc1nc2c(c(C(=O)N3CC[C@H]3c3ccc(F)cc3)n1)CCCC2 952968739 FSVJDDMHMOWUCB-HNNXBMFYSA-N 326.375 2.664 0 50 EFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2c[nH]c3c(C)cccc23)C1 888077482 DGXSXVIVFRVRBG-GDBMZVCRSA-N 338.411 2.731 0 50 EFAA CCn1cc([C@@H]2OCCC[C@H]2CNc2ncnc(N)c2Cl)cn1 886088654 BWKPUXFMUSOBNL-GXFFZTMASA-N 336.827 2.508 0 50 EFAA Cc1ncc2n1C[C@H](C(=O)N(C)Cc1cc(-c3ccccc3)n[nH]1)CC2 890457126 QXZNXEJQFRACJT-MRXNPFEDSA-N 349.438 2.803 0 50 EFAA CCc1cnc(CC(=O)N2CCCN(Cc3ccccc3)CCC2)[nH]1 1775994680 DAMRPCQKAKPJMR-UHFFFAOYSA-N 340.471 2.639 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NC1CCN(c2ccccc2)CC1 895848910 RBBYIRYIPXGTDK-IBGZPJMESA-N 349.434 2.646 0 50 EFAA Cc1cc(F)ccc1CC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565505608 FYDKUNUWMLZCIZ-ROUUACIJSA-N 335.419 2.767 0 50 EFAA C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1O)c1ccccc1-n1cccn1 185656551 GMZTUCJZDNLHOR-YSVLISHTSA-N 328.416 2.536 0 50 EFAA CN1CC[C@H]2[C@@H](CCCN2c2ncnc3c2cnn3-c2ccccc2)C1 221923804 LFBLCCHVRYTXIG-YJBOKZPZSA-N 348.454 2.736 0 50 EFAA C[C@@H]1CN(C2CCOCC2)CCN1c1cccc(C(F)(F)F)n1 278827762 UQSGOXYQAKANEF-GFCCVEGCSA-N 329.366 2.790 0 50 EFAA Nc1nc(NCc2cc(F)cc3c2OCOC3)nc2ccccc12 225527025 JTBKRTFNGIHGRF-UHFFFAOYSA-N 326.331 2.830 0 50 EFAA COc1cccc(Cc2nnc(NC(=O)[C@@H]3O[C@H](C)C[C@@H]3C)s2)c1 225694396 CKPIHIGXRWGUMT-FIXISWKDSA-N 347.440 2.890 0 50 EFAA C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)c1ncon1 188669492 JFNNVWRDVVGVIC-DTWKUNHWSA-N 329.278 2.733 0 50 EFAA CN1C(=O)C[C@@H](NCc2noc(C3CC3)n2)[C@@H]1c1ccc(Cl)cc1 192155869 FVQRMRFASHUMHR-CJNGLKHVSA-N 346.818 2.662 0 50 EFAA CC(C)c1ccc(NC(=O)N2CCS(=O)(=O)CC[C@H]2C)cc1F 194143109 KALDRGIVYCLXTN-GFCCVEGCSA-N 342.436 2.990 0 50 EFAA C[C@H]1CN(C(=O)c2ccc(NCc3cccnc3)cc2)C[C@H](C)O1 195136897 IWFGITOGTSWFPY-GJZGRUSLSA-N 325.412 2.943 0 50 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2.603 0 50 EFAA Clc1cc2c(cc1CNC1CCN(c3cnccn3)CC1)OCO2 1857718679 NXVXNEHXEGIDIY-UHFFFAOYSA-N 346.818 2.617 0 50 EFAA CC(C)(CNC(=O)c1cc(Cl)ccc1F)C1(O)CCOCC1 416313232 UWNKALOCSIRWQJ-UHFFFAOYSA-N 329.799 2.777 0 50 EFAA CCc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1CC 239352380 ABYZJAZSCMKLES-INIZCTEOSA-N 335.469 2.965 0 50 EFAA CCS(=O)(=O)c1cccc(CNc2ncnc3ccsc23)c1 343035971 XERCJRWFMOOYLE-UHFFFAOYSA-N 333.438 3.097 0 50 EFAA OC[C@H](CNC1CCN(C2CC2)CC1)Cc1c(F)cccc1Cl 459435890 XOLJGQNIXQSQEV-ZDUSSCGKSA-N 340.870 2.847 0 50 EFAA O=C(c1cccc2c1OCO2)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 345626726 YVBCHMAGDQTSNM-IAQYHMDHSA-N 347.317 2.642 0 50 EFAA Cc1cnc(C(=O)N2[C@@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cn1 497041665 WJJSHYCDLNZYDY-RDBSUJKOSA-N 348.447 2.643 0 50 EFAA Cc1ccc(S(=O)(=O)NC[C@@H]2C=CCC2)cc1C(=O)OC(C)C 1665778291 XLSAAVXCPMBFBN-CQSZACIVSA-N 337.441 2.805 0 50 EFAA C[C@@H](NC(=O)c1csc2cncn12)[C@@H]1OCCc2sccc21 816722587 BBCIHIMLONTVDY-OTYXRUKQSA-N 333.438 2.890 0 50 EFAA 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0 50 EFAA CCc1cc(NCCc2ccc(C(F)(F)F)cn2)n2ncnc2n1 952990478 QISOZONLANEATK-UHFFFAOYSA-N 336.321 2.755 0 50 EFAA Cc1ccc(OC[C@@H]2C[N@@]2CC2CC2)c(C(=O)N=c2cc[nH]cc2)c1 1875385045 LMWAMJWCDJXERJ-GAJHUEQPSA-N 337.423 2.537 0 50 EFAA CCOc1ccc(CN(C=O)C[C@@H](O)c2cccc(OC)c2)cc1 1875325696 SWOMMTZUEJPQGP-LJQANCHMSA-N 329.396 2.786 0 50 EFAA Cc1cc(C)c2cc(CN[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)[nH]c2c1 1875400284 VYPCXCQSMTXQPG-CWFSZBLJSA-N 338.455 2.911 0 50 EFAA C[C@H](CNCc1ccc2nc(O)[nH]c2c1)Cc1ccc2c(c1)OCO2 952972941 HMCQIQZNACWYBI-LBPRGKRZSA-N 339.395 2.966 0 50 EFAA Cc1cc2nc(O)[nH]c2c(NC(=O)CCc2c(C)nn(C)c2C)c1C 952968638 NEQXWKFEQJQJGN-UHFFFAOYSA-N 341.415 2.807 0 50 EFAA Cc1ccccc1OC[C@H](O)C(=O)NCc1nc2c(C)cccc2o1 952991671 QVYHWTCMPIXMNO-AWEZNQCLSA-N 340.379 2.501 0 50 EFAA C[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 886039493 JXDXEGQBSBXQNF-PMPSAXMXSA-N 332.423 2.593 0 50 EFAA Cc1c(Cl)cccc1N1CCN(C(=O)c2cncc(O)c2)CC1 890989421 DNBYCGHJLWTOQR-UHFFFAOYSA-N 331.803 2.711 0 50 EFAA CC(C)c1ccc(C(=O)N2CCN(c3cccc4nncn34)CC2)cc1 1775994546 QWAMZISOADVETC-UHFFFAOYSA-N 349.438 2.815 0 50 EFAA CCCCCOc1ccc(C(=O)N2CCO[C@H](c3nc[nH]n3)C2)cc1 1775998665 HOFLTNKVYRQWJO-INIZCTEOSA-N 344.415 2.587 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)c1c[nH]nc1C1CCCCC1 1565511099 JDRLTQAPUIPUGV-IRXDYDNUSA-N 347.459 2.771 0 50 EFAA C[C@H](CNC(=O)N1CCOC[C@H]1CC1CC1)N1CCc2ccccc21 1477694616 PDZPGVBRADMRDJ-CRAIPNDOSA-N 343.471 2.648 0 50 EFAA CC(=O)Nc1nc(C(=O)N2Cc3ccccc3OC[C@@H]2C)cs1 273027389 TVMNUTNPCIKMBB-JTQLQIEISA-N 331.397 2.525 0 50 EFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 170088827 OMNXNCLJDAFALF-MRXNPFEDSA-N 334.441 2.867 0 50 EFAA O=C(c1ccncc1F)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278416995 MRJBZUUQDBQNOR-SECBINFHSA-N 342.296 2.982 0 50 EFAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCc1cccc(C(=O)O)c1 170592303 ABKIYUZYILJSNC-LLVKDONJSA-N 349.333 2.789 0 50 EFAA COc1cccc(CN2CCOC[C@@H]2CC(=O)c2cccs2)n1 170602744 LKCVAKCLHNVDSY-AWEZNQCLSA-N 332.425 2.626 0 50 EFAA NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)s1 171201428 DSIHLPZYUNVOQB-AWEZNQCLSA-N 344.436 2.668 0 50 EFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@H]2c2ccccc2)cn1 408474083 BVHNZDLIXKDWNU-XLAORIBOSA-N 325.412 2.560 0 50 EFAA COCC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 408520481 HPJBNMSMLSVZRD-OAHLLOKOSA-N 340.464 2.517 0 50 EFAA CC1(C)[C@@H]2CN(C(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]21 225334001 WXYHRGJDWQATPC-MCIONIFRSA-N 327.346 2.723 0 50 EFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCCN1CC=CCC1 225432690 WYPSXKNVFNRNPH-LBPRGKRZSA-N 326.799 2.625 0 50 EFAA C[C@@H](c1cnn(C)c1)N(C)C(=O)C1(c2ccccc2)CCOCC1 189166909 UVDFFHNRWVUPBV-HNNXBMFYSA-N 327.428 2.688 0 50 EFAA C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(Cl)c2cccnc12 192081484 CAZFMTJRJKLJDO-LBPRGKRZSA-N 338.860 2.897 0 50 EFAA Cn1cnc(CNC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)n1 194577717 AHKVYSNCXSTGHM-JTQLQIEISA-N 348.476 2.744 0 50 EFAA Cn1cc(CC(=O)Nc2cc3c(cc2Br)CCC3)cn1 195203854 MDFGADKAFPMICX-UHFFFAOYSA-N 334.217 2.853 0 50 EFAA Cc1ccc2c(c1)CN(c1cc(N3CCSCC3)ncn1)CC2 664222802 GZSDLRXCHQPEED-UHFFFAOYSA-N 326.469 2.901 0 50 EFAA CCCc1cc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)n[nH]1 787828669 ARYDMCIFBWPVSN-CQSZACIVSA-N 325.771 2.618 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccccc2C#N)C[C@@H]1O 209994189 XTTGCGZIEHWJLE-HOTGVXAUSA-N 326.421 2.919 0 50 EFAA O=C(O)c1cccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)c1 1772817878 ZAWHYVWLIHFRMK-UHFFFAOYSA-N 333.347 2.523 0 50 EFAA O[C@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1Cl 5685430 UZEMNULQSDGRJD-KGLIPLIRSA-N 349.814 2.509 0 50 EFAA O=C(NCC(F)(F)F)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12093720 QMBKRFCWMHCPEJ-AWEZNQCLSA-N 342.361 2.536 0 50 EFAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3c[nH]cn3)C2)cc1 15063503 QVMSLMHEKCLSDA-GOSISDBHSA-N 342.487 2.805 0 50 EFAA CCn1cc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 15073208 MXVPFHRTBVIYAP-IBGZPJMESA-N 348.450 2.947 0 50 EFAA COc1cc(OC)c(OC)cc1CN1CCN(C2CCCC2)CC1 19789266 ZGEYFGQNGXQUQE-UHFFFAOYSA-N 334.460 2.773 0 50 EFAA C[C@@H](NCCc1c[nH]c2cccc(Br)c12)c1ncnn1C 1857530682 GQFVZMZWWRQJMC-SNVBAGLBSA-N 348.248 2.952 0 50 EFAA C[C@H]1CC2(CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)CO1 1857671406 RMRLRWIWJGYWDL-ZDUSSCGKSA-N 325.412 2.729 0 50 EFAA CCCc1ccc(Cl)c(S(=O)(=O)N(C)c2cccnn2)c1 225435897 YYOIAIJPOIMCJW-UHFFFAOYSA-N 325.821 2.908 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2csc3c2CC[C@H](C)C3)n1 328612721 PMLYPOBGKFYTEV-NURSFMCSSA-N 347.440 2.512 0 50 EFAA CC(=O)N(C)C1CCN(C(=O)CCc2cc3ccccc3o2)CC1 332370853 SHLSSEAMDORUJI-UHFFFAOYSA-N 328.412 2.835 0 50 EFAA O=C(O)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 237972090 NTMPCSLYJXEFKZ-WDEREUQCSA-N 331.290 2.670 0 50 EFAA O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)c(F)c1 156846940 YYSLVIGKFBVMLA-CQSZACIVSA-N 336.382 2.876 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 262875692 DQFVIDHYSDKDKK-FUHWJXTLSA-N 344.455 2.504 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3cc(C)c(C)cn3)CCO2)c1 934899993 JJPZTGPEZDSIRE-SFHVURJKSA-N 326.396 2.921 0 50 EFAA COC1(CN[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 230212786 GXXSENNDAGGEPV-XUVXKRRUSA-N 344.499 2.682 0 50 EFAA O=C(O)C1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 911251762 ACZUGZOGBQWAMI-KRWDZBQOSA-N 344.455 2.660 0 50 EFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@H](N(C)C)C3)ncnc21 2100537004 GAIGJSFPYNNTKZ-HNNXBMFYSA-N 344.507 2.965 0 50 EFAA CO[C@@H]1CN(C(=O)c2cnc(O)c(Cl)c2)CCc2ccccc21 2325791257 HTSWEUNKTADASC-OAHLLOKOSA-N 332.787 2.827 0 50 EFAA Cc1cn2cccc(C(=O)N(C)Cc3ccc(CN(C)C)cc3)c2n1 2325820755 ZYJBJYGTRGHBFO-UHFFFAOYSA-N 336.439 2.977 0 50 EFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)NC1(C2CC2)CCCC1 2325827857 RXOCDGDNIKYXBD-QGZVFWFLSA-N 341.455 2.810 0 50 EFAA CCc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)C[C@H]2CCOC2)o1 110633272 SDLDKRRPOVLNQG-YCPHGPKFSA-N 341.473 2.981 0 50 EFAA Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 36139 UGHQPVZOXAOMQT-UHFFFAOYSA-N 345.247 2.614 0 50 EFAA CC(C)[C@@H](N)N[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 1857800333 BJBULGJIEYNZNN-CMPLNLGQSA-N 338.666 2.643 0 50 EFAA NS(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 137551 VLSJERVCRUOILR-UHFFFAOYSA-N 340.404 2.668 0 50 EFAA COc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 209098 UGWVZEVQSSOVSU-UHFFFAOYSA-N 328.387 2.726 0 50 EFAA NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 457949 JYNGSKNABKQWRX-UHFFFAOYSA-N 337.423 2.957 0 50 EFAA NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 794309 ZTZSMYHQKPBIFR-ZDUSSCGKSA-N 344.798 2.757 0 50 EFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CCCOC2)CC1 2356143020 QZARHPRZOLBYNB-MRXNPFEDSA-N 345.439 2.512 0 50 EFAA Cc1ccc(S(=O)(=O)Oc2cc3oc(=O)ccc3cc2O)cc1 2835969 JNUMFEKSLPRPQN-UHFFFAOYSA-N 332.333 2.575 0 50 EFAA Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1O 2356162303 GVMRDGIHYYXCSV-LJQANCHMSA-N 330.428 2.706 0 50 EFAA CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 4487979 LHHVXYMWJYVPNK-UHFFFAOYSA-N 338.454 2.713 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 6743545 BUEDKKTVCGXUTQ-CYBMUJFWSA-N 342.436 2.606 0 50 EFAA C[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccccc1 8607214 FBLJEDPGYDQXTF-LBPRGKRZSA-N 339.420 2.893 0 50 EFAA aggregator,biogenic,in-vitro CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@@H]2CCCCN2C)c1 55413770 OPHICVSBGWTGNL-AWEZNQCLSA-N 337.851 2.855 0 50 EFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(F)c1 57291801 AVCCUOOOOBTCRE-UHFFFAOYSA-N 331.366 2.726 0 50 EFAA C[C@@H]1CN(CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 249268514 IUPQPMYXKPLPMG-HZPDHXFCSA-N 349.544 2.922 0 50 EFAA CCC[C@H](CC(=O)O)NC(=O)CCC(=O)Nc1cc(C)ccc1F 55403124 NKFHFGVRHOGBCN-GFCCVEGCSA-N 338.379 2.612 0 50 EFAA CC(C)CN1CCC[C@@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 67563218 UXBPGOZILLXBEY-ZDUSSCGKSA-N 339.867 2.516 0 50 EFAA NC1(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)CCC1 67458250 BMPIVALYHHAUBL-UHFFFAOYSA-N 333.338 2.650 0 50 EFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](Cn2cncn2)C1 229531396 SPRLWJDXAPFJCS-LSDHHAIUSA-N 338.415 2.801 0 50 EFAA COc1ccc(CNC(=O)CC(=O)Nc2cccc(C)c2)cc1F 1506427893 UQMDOCAFWQAYKT-UHFFFAOYSA-N 330.359 2.788 0 50 EFAA Cc1c(Cl)c(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)nn1C 1506416714 LBLYSRWBRWDZIX-UHFFFAOYSA-N 335.770 2.670 0 50 EFAA COc1ccc(-c2ccccc2N2CCNCC2)c(OC)c1OC 67588982 IMONRXHJDMPCFD-UHFFFAOYSA-N 328.412 2.789 0 50 EFAA Cc1cc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)nc(C)n1 12093058 DNZXLLBZGWPJEF-UHFFFAOYSA-N 339.439 2.551 0 50 EFAA COc1nc(C)cc(C)c1CNC(=O)[C@@H](C)n1ccnc1C(C)C 65457204 VDDQMLJDDMHVGH-CQSZACIVSA-N 330.432 2.904 0 50 EFAA Cn1cc(N2CCC[C@H](NC(=O)C(C)(C)c3ccccc3F)C2)cn1 154002295 DCMRUAJIPFTZOR-AWEZNQCLSA-N 344.434 2.622 0 50 EFAA Cc1cc(C(=O)N2CCNC[C@@H]2C)cc(C)c1OCc1cccnc1 125730161 BJCLIEXELKKYMU-INIZCTEOSA-N 339.439 2.711 0 50 EFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@H](CCc2ccccc2F)C1 71736163 QVUVURNHIHKYRC-CYBMUJFWSA-N 344.386 2.705 0 50 EFAA Cc1c(NC(=O)N2CCC(F)(F)C2)nnn1Cc1ccccc1F 331521167 ZCVNJEABILZCLJ-UHFFFAOYSA-N 339.321 2.647 0 50 EFAA O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](Nc2ccccc2)C1 363387666 IOYAAGDKSBATTL-ZDUSSCGKSA-N 338.333 2.615 0 50 EFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3CN)c12 237878229 YUGFINMTIYMDRR-OAHLLOKOSA-N 349.438 2.507 0 50 EFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(OC(F)F)c(Cl)c1 288164314 PNSYVWKYYUXZOA-QMMMGPOBSA-N 332.734 2.939 0 50 EFAA Cc1nnc(CN[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)o1 374815943 QJOBAGUAFPBSDR-WBVHZDCISA-N 336.386 2.970 0 50 EFAA CCOc1ncc(C(=O)NC[C@@H]2CCCn3ccnc32)cc1Cl 378230822 RWOSDKZMBBWDPG-NSHDSACASA-N 334.807 2.638 0 50 EFAA Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)nc1 241383449 MVKRPYMOKULUQG-UHFFFAOYSA-N 338.411 2.946 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2CCCn3cncc3C2)c1 72427114 PLUIVZCLVBOGKD-UHFFFAOYSA-N 327.428 2.633 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(N2CCCNC2=O)CC1 132413806 HPQBOVPKNVKGDP-INIZCTEOSA-N 341.455 2.513 0 50 EFAA CCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2cnn(C)c2n1 72156838 FHAQQTHOVGQERW-CYBMUJFWSA-N 345.834 2.595 0 50 EFAA Cc1cc(Br)cc(C(=O)Nc2ccc(C(N)=O)nc2)c1 133711871 NUTWVIJVVDLDPZ-UHFFFAOYSA-N 334.173 2.504 0 50 EFAA OCCn1ccc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)n1 426662058 FSAGWNQWMNLKIS-QGZVFWFLSA-N 336.439 2.803 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)NCCc1ccco1 426555406 GAANBFUOZIJVSU-INIZCTEOSA-N 327.428 2.990 0 50 EFAA COc1c[nH]c(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O 426433562 FVQBAVAHKPKXQR-AWEZNQCLSA-N 326.396 2.649 0 50 EFAA Cc1ccc(N2CC[C@@H](NC(=O)CCc3ccc(O)cc3)C2=O)cc1 180067331 JAUXNTMQUOGAFJ-GOSISDBHSA-N 338.407 2.555 0 50 EFAA CC(C)c1nc(CCN(C)C(=O)[C@H](c2cccc(F)c2)N(C)C)no1 92046333 HUFWTUGJZRVUFO-INIZCTEOSA-N 348.422 2.636 0 50 EFAA O=C(O)c1ccccc1-n1nc([C@@H]2CCOC2)nc1-c1ccco1 97447033 PHLSFPKOIOXKDM-LLVKDONJSA-N 325.324 2.729 0 50 EFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nc(C)c(C)s1)C2 91547885 VMZFJZFZKRBVEZ-CYBMUJFWSA-N 332.425 2.636 0 50 EFAA Cc1nc(-n2nc(C3CCOCC3)nc2[C@@H]2CCOC2)sc1C 96152767 RVANQAINCSNLRC-CYBMUJFWSA-N 334.445 2.739 0 50 EFAA CCc1nn(C)c(NC(=O)NCc2c(C)cc(C)nc2OC)c1C 96149435 BLLHFRAPLPPSQW-UHFFFAOYSA-N 331.420 2.633 0 50 EFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)COCc1ccccc1 91872974 GBLFMZJERSQZTH-GOSISDBHSA-N 344.455 2.597 0 50 EFAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)NC3CCCCC3)C2)c1 91859612 HNMYNODZWCYECD-HNNXBMFYSA-N 329.444 2.692 0 50 EFAA CCc1ncc(C(=O)NCCc2ccccc2OC(F)(F)F)cn1 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2.539 0 50 EFAA c1ccc(CN2CCC[C@H](NCc3ccc4c(c3)OCCO4)C2)nc1 19218009 MAEZVGZEZOWKKM-SFHVURJKSA-N 339.439 2.607 0 50 EFAA O[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1Cc1ccnc2ccccc12 1857738903 DDAMXSAXTLKSIU-RDTXWAMCSA-N 345.406 2.546 0 50 EFAA O=C(C1CCC1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1875240472 UFPORMIZVYVCSZ-IBGZPJMESA-N 327.428 2.666 0 50 EFAA COc1cncc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)n1 330116246 VCZSSOWSVVCYBQ-UHFFFAOYSA-N 344.802 2.768 0 50 EFAA CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C2CC2)CC1 128948070 QRIVIVUEZHSIOF-SFHVURJKSA-N 343.471 2.662 0 50 EFAA O=C(c1ccc2cncn2c1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 339936427 CASMBLNIBZSFOD-PBHICJAKSA-N 343.333 2.561 0 50 EFAA C[C@@H](c1nnnn1C)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 249485622 UHXFCUVRFUJBRK-TVQRCGJNSA-N 342.230 2.651 0 50 EFAA COc1ccccc1CN(C(=O)c1cnc2c(c1)ncn2C)C1CC1 158437335 WMRNNYQIIFQYKH-UHFFFAOYSA-N 336.395 2.782 0 50 EFAA O=C(O)[C@@H]1CCCCN1Cc1nnn(-c2ccccc2)c1C1CC1 901966754 GYPLLUITJHDQEC-INIZCTEOSA-N 326.400 2.584 0 50 EFAA 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CCCCN(C)c1ccc(N)c(C(=O)N[C@@H]2CC23CC(OC)C3)c1 2325798430 BIFNTXSCRVRVQJ-LTCLLZNKSA-N 331.460 2.802 0 50 EFAA CO[C@H]1CC[C@H]1Cc1nc(-c2ccncc2)nn1CC(F)(F)F 2325849114 GXAYJZIZKWOKFX-RYUDHWBXSA-N 326.322 2.870 0 50 EFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)cc2ccoc12 932698715 WGVBXQNODPSTHP-MRXNPFEDSA-N 346.402 2.945 0 50 EFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 108839 BZPQIBLRPSZJIK-CQSZACIVSA-N 345.351 2.948 0 50 EFAA CC1CCC(C(=O)N[C@@H](C(=O)NCc2ccccn2)C(C)C)CC1 248124 AUUMHQSQDCDATO-VMBOVVBDSA-N 331.460 2.665 0 50 EFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 615512 ICQBKMFZDXFMEE-LBPRGKRZSA-N 328.343 2.826 0 50 EFAA O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(Cl)cc1 1125417 RITXEYILDRCMDF-UHFFFAOYSA-N 341.798 2.756 0 50 EFAA CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCCO 1912382 ILDIAFFJRUXWFU-UHFFFAOYSA-N 328.290 2.835 0 50 EFAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(COc3ccccc3Cl)n21 2356141821 QZTOKJARESPJIC-JTQLQIEISA-N 332.791 2.576 0 50 EFAA CC(=O)N1CC[C@H](CN(C)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 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CCc1c(C(=O)N2CCC(C(=O)O)(n3ccnc3)CC2)csc1C 72433892 VEHVFYYBOHLZTL-UHFFFAOYSA-N 347.440 2.532 0 50 EFAA CCOc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1 13325190 NYFYZCRJDUGJMU-UHFFFAOYSA-N 340.427 2.830 0 50 EFAA Cc1cc(Br)c(S(=O)(=O)n2ccnc2C)cc1C 36636415 GVBKXPJQKKKUJL-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA C[C@@H](c1ccccc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 239667934 BSCSWSUPKGLOAD-RDJZCZTQSA-N 340.423 2.636 0 50 EFAA COc1cc(CCC(=O)N2CCO[C@@H](C(F)(F)F)C2)ccc1C 71730336 YQNRKQCARNDMNR-CQSZACIVSA-N 331.334 2.726 0 50 EFAA CCCn1c(O)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 242263368 XYKAOQAZFKOXGB-FDYHWXHSSA-N 340.493 2.815 0 50 EFAA Cc1nc([C@H]2CCCCCN2C(=O)c2cnn(CC(C)C)c2)no1 378622084 WSRKXAIGQHBMIX-OAHLLOKOSA-N 331.420 2.988 0 50 EFAA Cc1cc(N2CCN(C(=O)CCc3scnc3C)CC2)cc(C)n1 77457018 ZKESLFFSGKNZBX-UHFFFAOYSA-N 344.484 2.745 0 50 EFAA Cc1cc(C2CCC2)nc(N2CCC[C@@H](C(=O)c3nccn3C)C2)n1 77406052 CRVMKRSUHXBADM-OAHLLOKOSA-N 339.443 2.885 0 50 EFAA CCOCC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 496617122 TZOSLFNUOQJDJU-CQSZACIVSA-N 340.464 2.661 0 50 EFAA COC[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(C)o1 175702945 ICMRALYREAYIJV-KGLIPLIRSA-N 332.404 2.935 0 50 EFAA CC[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1cnn(C)c1 72440112 AVZMIRAVIWBTSA-CYBMUJFWSA-N 338.371 2.534 0 50 EFAA CCn1ncnc1[C@H](C)NC(=O)c1cc2ccc(Cl)cc2n1C 426712632 LNMUQRCLNUUYNB-JTQLQIEISA-N 331.807 2.934 0 50 EFAA O=C(NCc1ccco1)N1CCN([C@H]2CCc3ccccc3C2)CC1 426641565 PJEYBEZVUZQSHC-SFHVURJKSA-N 339.439 2.664 0 50 EFAA CCOC(=O)Cc1cc(Br)c(N)c(Br)c1 40571524 VFLXFLRILBFZFH-UHFFFAOYSA-N 337.011 2.899 0 50 EFAA C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 45744832 CJQBTPWSVBVDMB-ZDUSSCGKSA-N 330.881 2.740 0 50 EFAA CCC(=O)Nc1cc(NC(=O)N(C)C2CCN(C)CC2)ccc1OC 96149209 IFNFLNXUSJWBAM-UHFFFAOYSA-N 348.447 2.602 0 50 EFAA COCC[C@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2C)CCO1 97602277 KCWSTMUCSXDMQD-ZDUSSCGKSA-N 344.358 2.866 0 50 EFAA Cc1c(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)oc2ccccc12 95524215 AYOSDHONYAAIBO-CQSZACIVSA-N 343.427 2.751 0 50 EFAA CC[C@@H]1CN(C(=O)Cc2c(C)nc3ccccn23)CCN1C(C)C 91657376 PFWAZSZDIZRROD-MRXNPFEDSA-N 328.460 2.516 0 50 EFAA CC(C)C[C@@H](O)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 95498947 JKPALXTUUZLVLT-GOSISDBHSA-N 345.487 2.941 0 50 EFAA COC[C@H](Nc1cc(C)nc(-c2ccccc2O)n1)c1ccnn1C 91915073 ALANNXUCLRLZFY-AWEZNQCLSA-N 339.399 2.691 0 50 EFAA c1ncn(Cc2nc([C@H]3CCCCO3)n(CC3CCCCC3)n2)n1 96151626 XQSQJAKKIXTASY-OAHLLOKOSA-N 330.436 2.740 0 50 EFAA CN(Cc1cc2ccccc2n(C)c1=O)C[C@@H]1Cc2ccccc2O1 244828636 TZWDZUDEPJDXIU-SFHVURJKSA-N 334.419 2.974 0 50 EFAA Cn1cnc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21 253410984 OAIHIRBUTPQNTI-UHFFFAOYSA-N 338.411 2.909 0 50 EFAA Cc1ccsc1C=c1sc2nc(-c3cccs3)nn2c1=O 254770658 CYLXXVGGZZZIPA-UHFFFAOYSA-N 331.447 2.797 0 50 EFAA COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccncc2F)C1 184231785 UMAMLLQYMXNPGA-CYBMUJFWSA-N 344.390 2.877 0 50 EFAA O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)N1CCN2CCC[C@@H]2C1 299796605 POZXTWZFDLOWPU-CQSZACIVSA-N 345.834 2.838 0 50 EFAA COc1ccc(NC(=O)N2CC[C@](O)(c3ccccc3C)C2)cn1 299775330 BHTQQUQFRXADFW-GOSISDBHSA-N 327.384 2.524 0 50 EFAA Cc1cc(C)n(CCCN(C)C(=O)NCc2ccc3nc[nH]c3c2)n1 584897929 CYKQZJHYPAEEFM-UHFFFAOYSA-N 340.431 2.608 0 50 EFAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cnn(C(C)C)c1 823676142 JISYIAQQVXUNJZ-UHFFFAOYSA-N 343.431 2.525 0 50 EFAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCN1CCCC1=O 827802357 AAUAQIWPKGUUSD-MRXNPFEDSA-N 326.396 2.540 0 50 EFAA Cn1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 271268316 IYMOVYZDSFXFBT-LSDHHAIUSA-N 325.334 2.747 0 50 EFAA CN(CCCOc1ccc(Cl)cc1)CC[C@H]1CCS(=O)(=O)C1 677677632 BOOCLXZUFIYXQZ-AWEZNQCLSA-N 345.892 2.866 0 50 EFAA CC(C)Cn1cnc(S(=O)(=O)Nc2cc(O)ccc2Cl)c1 1875281277 ZKSVWXRAPBBIOD-UHFFFAOYSA-N 329.809 2.699 0 50 EFAA CC(C)c1ccc(-c2noc([C@]3(C)CCCNS3(=O)=O)n2)cc1 1875281034 MHNWZHXMDUSKNK-INIZCTEOSA-N 335.429 2.788 0 50 EFAA O=S(=O)(c1cnc(-c2ccccc2)o1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1C3 1875396910 XCFVYNPDPYSRGE-SPWCGHHHSA-N 330.409 2.761 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cc(C3CCC3)n[nH]2)cc1 1875374049 YWLPSOVXALLKSC-UHFFFAOYSA-N 338.411 2.756 0 50 EFAA CC(C)n1nc(Cc2c(Cl)cccc2Cl)nc1CNC(N)=O 952866976 HPDPDSFQPXCGOG-UHFFFAOYSA-N 342.230 2.925 0 50 EFAA Clc1ccc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)o1 952969400 MZNWZTITBBBRAL-RJAIZQQDSA-N 333.823 2.757 0 50 EFAA Cc1csc2nc(CC(=O)N[C@H]3CCCc4cnccc43)cn12 889297035 KHTVZNPHJIZTMJ-HNNXBMFYSA-N 326.425 2.836 0 50 EFAA Clc1ccc(N2CCN(CCCN3CCCOCC3)CC2)cc1 1421486404 QOZGKWUVHRQCNA-UHFFFAOYSA-N 337.895 2.574 0 50 EFAA Cc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)cs1 276285371 GRGYUYTVZXLNMY-UONOGXRCSA-N 335.477 2.544 0 50 EFAA CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN)nc2C)C1(C)C 170591325 DITGWJQWXLIYTP-IAGOWNOFSA-N 333.476 2.905 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)CC[C@@H]1CCCCN1C)CO2 172831754 MUDOEDRHNFGPET-SJORKVTESA-N 346.471 2.579 0 50 EFAA CCSCCCNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 225708941 LENGJJLBJSHKBW-LBPRGKRZSA-N 332.535 2.584 0 50 EFAA CCC[C@H](C)C(=O)NS(=O)(=O)c1cc(Br)cs1 806099184 XLXVEWXWRVCPRG-ZETCQYMHSA-N 340.264 2.752 0 50 EFAA COc1ccccc1C1CCN(C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)CC1 1704315448 FDQNYAUQBVCEOJ-HHXXYDBFSA-N 347.455 2.577 0 50 EFAA Cc1cc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c(C)o1 1616070594 JIMWJCVYFQEDHU-HKUYNNGSSA-N 340.423 2.794 0 50 EFAA C[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)c1ccc(Br)s1 237458173 JVEWFJLSUYUOAD-SFYZADRCSA-N 332.219 2.547 0 50 EFAA COc1cc(CNCc2ccco2)ccc1OCC(=O)NC(C)(C)C 5019463 ONQSYHNESYDEJR-UHFFFAOYSA-N 346.427 2.872 0 50 EFAA CCc1c(C)nc(N)nc1N1N=C1SCCOc1ccccc1 5050916 ZQYFRCAZXFIESR-UHFFFAOYSA-N 329.429 2.833 0 50 EFAA CN1CCCC[C@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 11937228 FOSNECXGDLBUEF-SFHVURJKSA-N 349.438 2.521 0 50 EFAA O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cc[n+]([O-])cc1 12092019 HZCOHVAKEFKSGZ-SFHVURJKSA-N 346.390 2.584 0 50 EFAA CC(C)C(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 12297066 JMMSFGIEPDFXJW-UHFFFAOYSA-N 341.455 2.817 0 50 EFAA biogenic Cc1nnc2sc(-c3ccc(NC(=O)c4ccccn4)cc3)nn12 12322411 SGZYVXDFNZTBGT-UHFFFAOYSA-N 336.380 2.809 0 50 EFAA COc1ccc(-c2cnnc(NCCc3nc(C)cc(C)n3)n2)cc1 12464976 QNKUUIIPBONKNY-UHFFFAOYSA-N 336.399 2.609 0 50 EFAA Cn1nc(-c2ccccc2)c2c1CCN(C[C@@H]1CCCOC1)CC2 1857672933 JWKKXYCFRPJCQG-INIZCTEOSA-N 325.456 2.914 0 50 EFAA Cc1ccccc1-c1ncc(-c2nccn2[C@@H]2CN[C@H](CO)C2)s1 1857705405 GGLSHTBQEVMYLY-KBPBESRZSA-N 340.452 2.877 0 50 EFAA Nc1ccc2c(N3Cc4cccc(Br)c4C3)ncnc2n1 302250403 MTJXILBKSJOJFP-UHFFFAOYSA-N 342.200 2.890 0 50 EFAA Cc1ccc2nc(C)c(C(=O)N(CC(=O)O)C3CCOCC3)cc2c1 237897568 KPHDZJKFMJQDFG-UHFFFAOYSA-N 342.395 2.557 0 50 EFAA CC[C@@H](C)c1nc(C)c(CC(=O)N2CCC[C@@](C)(O)CC2)c(C)n1 655041109 ZWJLEHHVIFRNNU-BFUOFWGJSA-N 333.476 2.913 0 50 EFAA COc1cccc([C@@H](NC(=O)c2ccc3c(c2)CCC3)C(=O)O)c1 659173118 BEFXSTIISGQEFF-QGZVFWFLSA-N 325.364 2.740 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 248090928 LKSARBCIGLSZKU-MOPGFXCFSA-N 349.434 2.653 0 50 EFAA COc1ccc(F)cc1C(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 262978926 UEELVZIHPPVBIV-HZPDHXFCSA-N 343.354 2.775 0 50 EFAA COCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339866 PBVXJCXJCYQMNQ-FQEVSTJZSA-N 337.423 2.596 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 823091642 ORFMZJRBAWRFEI-QWRGUYRKSA-N 346.349 2.621 0 50 EFAA O=C(c1cc(-c2ccccc2)ccn1)N1CCC[C@H](Cn2cncn2)C1 933239350 LSLXIZAHPGGNSZ-INIZCTEOSA-N 347.422 2.893 0 50 EFAA CCOC(=O)CN1NC2(CCC(C(C)(C)CC)CC2)NC1=S 18275985 YCQNTGALEHWUOX-UHFFFAOYSA-N 327.494 2.567 0 50 EFAA CCCN(CC(F)(F)F)C(=O)CN1CCc2cc(O)c(C)cc2C1 2325771966 GWEMIGGDFZBXSD-UHFFFAOYSA-N 344.377 2.860 0 50 EFAA CC(C)c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)ccc1C(F)(F)F 2325786524 USSXSKGIWAAOAL-QWHCGFSZSA-N 344.333 2.973 0 50 EFAA COC[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 245289794 FEPMXSHENAYPHZ-RBOXIYTFSA-N 342.842 2.871 0 50 EFAA COc1cccc(Oc2ncccc2CNC(=O)c2cc(C)n[nH]2)c1 151728506 ANSWVUQAYVKITI-UHFFFAOYSA-N 338.367 2.844 0 50 EFAA COC(=O)c1cccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 243160 HTQWURAZDXSEFU-OAHLLOKOSA-N 340.379 2.571 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2ccccc2Cl)cc1 619410 DBWDWZRUMQOBQR-UHFFFAOYSA-N 349.770 2.909 0 50 EFAA Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1 620344 YRZMPXBFBNAMED-UHFFFAOYSA-N 328.397 2.577 0 50 EFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(-c2ccc(C)cc2)no1 344646343 ITKGULXCUPUSPU-LSDHHAIUSA-N 330.384 2.526 0 50 EFAA COC(=O)c1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 1061650 VVIDJFYJXNVYEH-CYBMUJFWSA-N 339.347 2.719 0 50 EFAA CO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2 416012883 BIBLJVBVWFTEAT-VIFPVBQESA-N 341.429 2.750 0 50 EFAA Cc1ccc(S(=O)(=O)NCCCc2ccccc2)c2nsnc12 2459072 CYKPSZKNRIYSAK-UHFFFAOYSA-N 347.465 2.911 0 50 EFAA biogenic CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 2878100 KVXNIYZBJXFXIG-UHFFFAOYSA-N 348.424 2.636 0 50 EFAA CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc2c(c1)OCO2 4986096 YVGYUFFXKBGQMF-CQSZACIVSA-N 343.379 2.898 0 50 EFAA CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3)ccc21 10327608 FKHNALTZUOZIRR-UHFFFAOYSA-N 330.409 2.651 0 50 EFAA CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1cn[nH]c1 55088136 GOFYQZFOHSFBAF-GOSISDBHSA-N 327.428 2.805 0 50 EFAA COc1ccc(OCc2nc(C(=O)N(C)C[C@H]3CCCO3)co2)cc1 67473321 QWDKASOFYQOJGP-OAHLLOKOSA-N 346.383 2.513 0 50 EFAA O=C(COC[C@@H]1CCCO1)NCc1nc(-c2ccccc2)cs1 69261649 IPQYOSNTUHQUPQ-AWEZNQCLSA-N 332.425 2.622 0 50 EFAA Cc1ccc(CN2CC[C@H](CNC(=O)c3cnco3)C2)c(C)c1F 67868844 XSLAIMWNCJESRT-CQSZACIVSA-N 331.391 2.682 0 50 EFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)C[C@@H]1CCCNCC1 423764790 SZIMFMWMZOWXAJ-OAHLLOKOSA-N 328.460 2.734 0 50 EFAA Cc1nnc([C@H](C)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)o1 229463813 QCADBSURYIBZKA-SGMGOOAPSA-N 336.461 2.552 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)C1CCN(c2cnccn2)CC1 119793320 ZXTVBAPMSBVILC-UHFFFAOYSA-N 349.438 2.533 0 50 EFAA CC(C)Cc1nnc2n1CCN(C(=O)c1ccc(Cl)cc1F)C2 252523193 CAUVVUQFUMDITJ-UHFFFAOYSA-N 336.798 2.925 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1 328593238 VNMFDXDOJHPEES-HZPDHXFCSA-N 330.409 2.617 0 50 EFAA Cc1noc(C)c1[C@H](C)/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328624500 CKRQOJFJJFVJGJ-ISAOAKOHSA-N 349.431 2.679 0 50 EFAA CCCS(=O)(=O)Nc1ccc(N[C@H]2CCN(CC)C[C@H]2C)cc1 253370696 UZDNKQWVSFUVQP-PBHICJAKSA-N 339.505 2.981 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COc1ccccc1 328629100 OIUUAQQNICEKON-PXNSSMCTSA-N 339.439 2.612 0 50 EFAA CCc1nnc(S)n1CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 153476055 KBEVQJUYAFUZKG-MGPQQGTHSA-N 336.505 2.852 0 50 EFAA COc1ccccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 1422775 ITYKMGOOWRYRAA-UHFFFAOYSA-N 337.379 2.799 0 50 EFAA CC(C)CN(C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67840318 IIHODVSHHVGTKT-HXUWFJFHSA-N 332.488 2.561 0 50 EFAA N[C@@H]1CCC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@@H]12 363680123 TVJVEZNFUCCJGG-ARFHVFGLSA-N 341.480 2.933 0 50 EFAA O=C(NCCNc1cc(N2CCCC2)ncn1)c1cccc(Cl)c1 77134267 BTCMYIMHIKSIAU-UHFFFAOYSA-N 345.834 2.572 0 50 EFAA O=C(c1c(O)ccc2ccccc12)N1CCO[C@H](C(F)(F)F)C1 71746197 WIYOJMMDYIWKBA-ZDUSSCGKSA-N 325.286 2.949 0 50 EFAA CCO[C@H]1C[C@](N)(c2nc(-c3ccc4c(c3)CCO4)no2)C1(C)C 262097131 VHRPPLSWAYYBNC-KSSFIOAISA-N 329.400 2.661 0 50 EFAA O=C(c1[nH]nnc1-c1ccccc1)N1CC[C@@H](O)c2ccccc2C1 373779298 XSMJUMXWZIOPDW-MRXNPFEDSA-N 334.379 2.551 0 50 EFAA Cn1cc(C2CCN(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3CC4)CC2)cn1 333864613 QTSJMRXYHZYFPN-ZOBUZTSGSA-N 328.460 2.911 0 50 EFAA CC(C)c1ccc(C(=O)NCCc2nnc(S)n2C(C)C)cn1 157757020 XFJQQRXATYIZHI-UHFFFAOYSA-N 333.461 2.639 0 50 EFAA Cc1nc(CC(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)cs1 77341088 GVOOWDXYJJHTJK-HNNXBMFYSA-N 329.469 2.979 0 50 EFAA CCOC(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1 32073532 UFEQVYQSIDQYGB-UHFFFAOYSA-N 349.818 2.595 0 50 EFAA COc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)cc1Cc1ccccc1 262391781 AJVNXTWUINPNBJ-HOTGVXAUSA-N 325.364 2.945 0 50 EFAA Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@H](C(=O)O)C1 237659208 AEAXJPWKRHBCFQ-ZDUSSCGKSA-N 330.409 2.589 0 50 EFAA O=C(O)C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccs1 238003145 STDOSKFZZMKEMC-LBPRGKRZSA-N 342.376 2.535 0 50 EFAA Cc1nnc(O)c(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1C 377190601 FEFQYAHSOVQSBD-LSDHHAIUSA-N 341.411 2.775 0 50 EFAA 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COc1c(C)cc(CN[C@H]2CCOC3(CC(C(=O)O)C3)C2)cc1C 1775962019 OBEYRSQKXOZGAU-WUJZJPHMSA-N 333.428 2.814 0 50 EFAA O=C(NC[C@]12CCC[C@@H]1OCC2)c1cc(F)ccc1-n1ccnc1 1776007603 ONJRHLOCZROESE-FUHWJXTLSA-N 329.375 2.700 0 50 EFAA O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1noc2c1CCc1ccccc1-2 1363033391 ATAPKSODINZNEC-CJNGLKHVSA-N 348.349 2.719 0 50 EFAA COc1ccccc1-c1cccc(C(=O)N[C@H]2COCC[C@@H]2OC)c1 1565526786 WHFHBEOYAKVKFY-HKUYNNGSSA-N 341.407 2.896 0 50 EFAA O[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1c1ccc2c(c1)OCO2 1565529171 XDBWKEBWUDDFKQ-SJORKVTESA-N 329.371 2.905 0 50 EFAA CC1(C)C(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)C1(C)C 1565528553 IFAYQRHWIPIKSI-HOTGVXAUSA-N 347.455 2.514 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(Oc2ccccc2)c(F)c1 276607726 GTDVKAHSILWMRG-DXCKQFNASA-N 344.386 2.518 0 50 EFAA CCc1cc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)[nH]n1 277539311 AMTBNOZAXIHTBK-SECBINFHSA-N 341.337 2.734 0 50 EFAA CN(C(=O)c1ccnn1CC(F)F)[C@H]1CCCN(c2ccccc2)C1 279100368 TUNBPNJHZGQPEZ-HNNXBMFYSA-N 348.397 2.889 0 50 EFAA CC1(C)CCC[C@H]1NC(=O)CCn1c(S)nc2ccccc2c1=O 170654384 ZJEWSFFJFAXJFL-CQSZACIVSA-N 345.468 2.770 0 50 EFAA C[C@@H]1SCCN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)[C@@H]1C 170670377 FFMLLJVILHFQNQ-ULQSSITMSA-N 330.450 2.921 0 50 EFAA Cc1ccc(CNc2ncnc3nc(N)ccc23)c(N2CCCC2)n1 302041330 IFDYEPNBQMGTPH-UHFFFAOYSA-N 335.415 2.523 0 50 EFAA CCOc1cnc(C(=O)NC2(Cc3cccc(F)c3)CCC2)cn1 189174280 SABUSCBAPCRDSZ-UHFFFAOYSA-N 329.375 2.910 0 50 EFAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCCCO3)C2)c1 189643276 MVCZXRZXFQAEQG-HNNXBMFYSA-N 331.416 2.793 0 50 EFAA O=C(CCOCC(F)(F)C(F)F)N1CCOc2cccc(F)c21 191923842 SUUHIYVHMKLJHQ-UHFFFAOYSA-N 339.260 2.858 0 50 EFAA Cc1nc(C)c(S(=O)(=O)N2CCOc3c(F)ccc(F)c32)s1 650491934 UVPPTLOWBRPWKG-UHFFFAOYSA-N 346.380 2.626 0 50 EFAA Cc1cccc([C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C(=O)O)c1C 653667366 LCTWSWRROMCOFX-ZBEGNZNMSA-N 330.384 2.954 0 50 EFAA CCC(C)(C)NC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1529112933 VSUZDWQZHRWOIY-SJORKVTESA-N 332.444 2.668 0 50 EFAA O=C(c1cc(O)nc2ccccc12)N1CCC[C@@]2(CCC[C@H]2O)C1 1704342762 DKQWSBCXNUOGIZ-APWZRJJASA-N 326.396 2.708 0 50 EFAA CCCc1cc(=O)n2nc(COC)c(-c3ccc(OC)cc3)c2[nH]1 12862174 QDSPGICDPUKXFU-UHFFFAOYSA-N 327.384 2.797 0 50 EFAA C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)O)C(=O)N2Cc1ccco1 15022839 NGQBUEJDJHEHMY-JOQOYGCGSA-N 327.336 2.605 0 50 EFAA CN(C)C(=O)CCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 15079306 GGHJNYHMHWSZET-HNNXBMFYSA-N 334.435 2.865 0 50 EFAA O=C(COc1ccccc1F)N1CCN(CCc2ccccc2)CC1 16604187 CASGGLZQGRFCJX-UHFFFAOYSA-N 342.414 2.591 0 50 EFAA CCCc1noc(-c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 169748958 CKMKEIWWIKBWKL-CYBMUJFWSA-N 329.335 2.691 0 50 EFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)ccc1Cl 1857725942 BAFAHACCSMHAFC-VYDXJSESSA-N 334.847 2.630 0 50 EFAA COc1cc2c(cc1OC)CCN(C(=O)C1(C(F)F)CC1)CC2 843536827 ZXEMBOMUSQAKQS-UHFFFAOYSA-N 325.355 2.676 0 50 EFAA Cc1nc2cc(-c3cncc(C(=O)N4CCOCC4)n3)ccc2s1 1875240845 HZDBDNARYSHLGG-UHFFFAOYSA-N 340.408 2.534 0 50 EFAA Cc1nc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccccc2)cn1C 331492368 CXJOIRXPPOANMZ-HNNXBMFYSA-N 333.457 2.890 0 50 EFAA CN(CC[C@@H]1CCCCO1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 12040685 OQSLRNGICLTXHJ-ZWKOTPCHSA-N 348.418 2.931 0 50 EFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CCn1cccn1 246903149 DZUBRLWFDFBSKE-YRWFTTLQSA-N 340.471 2.546 0 50 EFAA COc1cc2c(c(OC)c1OC)CCN(Cc1ccccn1)CC2 253418746 MQWMPZLDTXBITF-UHFFFAOYSA-N 328.412 2.708 0 50 EFAA C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(OCC(=O)O)cc1 262916893 DXUXTIZVMQNNBX-JTQLQIEISA-N 336.775 2.633 0 50 EFAA N=C(O)OC[C@H](Cc1ccccc1)NC(=O)c1csc(C2CC2)n1 497031799 FBYQMUVTQKBQPJ-ZDUSSCGKSA-N 345.424 2.871 0 50 EFAA COc1cc(NC2CCN(c3nccc(OC)n3)CC2)cc(OC)c1 267359290 HXPLQCZMOKWALD-UHFFFAOYSA-N 344.415 2.583 0 50 EFAA COc1cc(Br)cc(CNC(=O)c2nc(C)ns2)c1 902969178 AVDRQFHNAZTVSL-UHFFFAOYSA-N 342.218 2.548 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](C(=O)O)c2cccnc2)c1 910988424 PNJKWJDWXLNBBP-SFHVURJKSA-N 340.379 2.603 0 50 EFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)O)s1 817868366 VFRKHOXXFRCDSX-STQMWFEESA-N 331.393 2.875 0 50 EFAA CN(C)CCCOc1cccc(NC(=O)c2cnc3[nH]cnc3c2)c1 1136811041 VIUVGMYLHBKQQI-UHFFFAOYSA-N 339.399 2.541 0 50 EFAA Cc1cn2cc(NC(=O)N3CCC(c4ccn(C)n4)CC3)ccc2n1 930136029 BXJRQSLZPRQBJC-UHFFFAOYSA-N 338.415 2.788 0 50 EFAA O=C(Cc1noc2ccccc12)N1CC2(COc3ccccc3C2)C1 2100482936 GZWIACRPKNUUSB-UHFFFAOYSA-N 334.375 2.834 0 50 EFAA Cc1cccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)c1C 204934 ZQVWVLHRJCXSMM-DLBZAZTESA-N 344.455 2.843 0 50 EFAA Cc1cc(NC(=O)N2[C@H]3CCC[C@H]2COC3)cnc1Br 2325803478 JMIXYZJGRXQPMJ-RYUDHWBXSA-N 340.221 2.938 0 50 EFAA O=C(NC1(C(=O)O)CC2(CCC2)C1)c1ccc(F)c2cccnc12 2325812711 ATUSZCLUDHTYIZ-UHFFFAOYSA-N 328.343 2.891 0 50 EFAA CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCO3)c1C(N)=O 35603 CNLGOOOZAGSFPH-UHFFFAOYSA-N 332.381 2.699 0 50 EFAA CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 116070 HPGYZSSWFQWLGB-RDJZCZTQSA-N 344.411 2.599 0 50 EFAA CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 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50 EFAA CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C 55183206 HCZGHXPETDMZEC-HNNXBMFYSA-N 331.460 2.804 0 50 EFAA CCOc1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 9096648 GRNNXUPJPXJTQW-HNNXBMFYSA-N 326.352 2.814 0 50 EFAA Cc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 9269529 CNUULNOHJUKNRT-UHFFFAOYSA-N 344.436 2.600 0 50 EFAA CC[C@@]1(C)Oc2ccc(NC(=O)c3cnc4c(c3)nnn4C)cc2O1 135271074 UFHCQYHOKYYJKB-KRWDZBQOSA-N 339.355 2.513 0 50 EFAA CC(C)(C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 136063196 GAMPNHUJFOHAEQ-UHFFFAOYSA-N 348.852 2.683 0 50 EFAA Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCCC2)[C@@H](CCO)C1 20166647 OKKQBNDJKAPJTM-IBGZPJMESA-N 348.535 2.892 0 50 EFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1ccc(CSC)o1 55152906 LLPVZTNYDHTHGI-AWEZNQCLSA-N 334.441 2.951 0 50 EFAA c1ccc2c(c1)CC(N1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2 20777794 DXIFJDGLWVZRBJ-GOSISDBHSA-N 348.450 2.944 0 50 EFAA CCN1CCC[C@](C)(CN2CCC(N3CCSCC3)CC2)C1 20774497 UVPZAGKPHUWUBL-SFHVURJKSA-N 325.566 2.622 0 50 EFAA Cc1cc(C)c(S(=O)(=O)n2cccn2)c(C)c1Br 170615120 GRTPYXBDIMDUTJ-UHFFFAOYSA-N 329.219 2.808 0 50 EFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1 229848682 ZOSYHUSRUNJUNB-ZOCIIQOWSA-N 339.439 2.623 0 50 EFAA Cc1cc([C@H]2CCCN(C(=O)N[C@@H](C)c3cncc(F)c3)C2)n[nH]1 332743764 RZGPEIIJAUDSGZ-STQMWFEESA-N 331.395 2.902 0 50 EFAA C[C@@H]1CN(C(=O)[C@]2(C)CCCC[C@H]2NC(=O)OC(C)(C)C)CCO1 252511482 HFQLKGBDPTTYCR-HBUWYVDXSA-N 340.464 2.707 0 50 EFAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(Cc3cc[nH]n3)C4)n2)cc1 328606369 RHNHOXQOPCCZFY-OXQOHEQNSA-N 349.438 2.937 0 50 EFAA O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@H]1CCNC1 328654134 XGKBIKKQJAXWGH-AWEZNQCLSA-N 331.366 2.612 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N(C)S(C)(=O)=O 65361844 RVZUJPGLMXZMFD-CQSZACIVSA-N 346.452 2.882 0 50 EFAA CN(C)C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 173522464 QXWBDQQWQAXRQG-CTWPCTMYSA-N 330.472 2.749 0 50 EFAA C[C@H](Cn1cncn1)NCc1cccnc1Oc1ccc(F)c(F)c1 67754967 KIBQNRJLZIJEDV-GFCCVEGCSA-N 345.353 2.922 0 50 EFAA CN1CCC[C@H]1CCN1CC=C(c2cnn(-c3ccccn3)c2)CC1 65372354 VSLMNRWMALVAFK-IBGZPJMESA-N 337.471 2.841 0 50 EFAA Cn1ncc2c1ncn1nc(COc3ccc(Cl)c(Cl)c3)nc21 2800100 SDWWTZRTFLFVIG-UHFFFAOYSA-N 349.181 2.897 0 50 EFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](O)c1cnn(C)c1)CCC2 253407631 GSYXGMVIRLRQQS-QZTJIDSGSA-N 327.428 2.771 0 50 EFAA Oc1cccc(-c2nnc(S)n2-c2ccc3c(c2)OCCO3)c1 6444673 JEKIFNSXQFSNHX-UHFFFAOYSA-N 327.365 2.700 0 50 EFAA CCn1ncc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C(N)=O 6490082 DBQUNXZXXFOMCY-UHFFFAOYSA-N 330.432 2.547 0 50 EFAA CC[C@@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1ccnn1C 218970281 QJWQUUZGIONRGI-QGZVFWFLSA-N 340.471 2.651 0 50 EFAA COc1cc(C(=O)N2CCNC[C@@H]2C)cc(Cl)c1OC(C)C 126070515 SERVAAFDOFSSKC-NSHDSACASA-N 326.824 2.570 0 50 EFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2nccs2)CC1 72428419 MHXGYLYSFMHRDA-UHFFFAOYSA-N 344.396 2.680 0 50 EFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 156415878 PHZXTEODNULDCH-VXGBXAGGSA-N 330.350 2.670 0 50 EFAA FC(F)(F)COCCN(Cc1nccs1)[C@@H]1CC12CCNCC2 261814928 JWEAQLFYYZBLIG-GFCCVEGCSA-N 349.422 2.666 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCCNc2cccnc2)N(C)C)c1 219940087 HGAYNBROOKPDFE-SFHVURJKSA-N 326.444 2.611 0 50 EFAA Cc1cnn(C[C@@H]2CN(c3ccncc3-c3cccnc3)CCO2)c1 374009279 JPOOVRAQXJTFPY-KRWDZBQOSA-N 335.411 2.554 0 50 EFAA Cc1cc(N[C@H](C(=O)N(C)C)c2ccccc2)n2nc(C)c(C)c2n1 72422133 CGLAZNIOODWTKW-KRWDZBQOSA-N 337.427 2.896 0 50 EFAA CCc1nc2c(c(NCc3coc(-c4ccccc4)n3)n1)CCNCC2 72425656 VTZVILOIXKKUEU-UHFFFAOYSA-N 349.438 2.994 0 50 EFAA CN(C)CCOc1ccccc1CN1CCC2(CCNCC2)CC1 72135159 UJEPZVOZMSUABW-UHFFFAOYSA-N 331.504 2.593 0 50 EFAA Cc1cc(C)cc(-n2nc(C(=O)N3CCC[C@H]3CC(=O)O)cc2C)c1 262850488 DDHOEJDBXBHQQL-HNNXBMFYSA-N 341.411 2.877 0 50 EFAA CN(C)c1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 72473208 YAAQOFCDTLSQAE-FQEVSTJZSA-N 339.483 2.963 0 50 EFAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(-c2csnn2)cc1 239869354 CYRPQDUMNCMUQF-BETUJISGSA-N 328.397 2.933 0 50 EFAA O=C(c1cc(-c2ccncc2)on1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337298400 OXJSJMZHSWZBPR-USXIJHARSA-N 341.411 2.892 0 50 EFAA C[C@@H](C(=O)Nc1cnc(-c2cccc(O)c2)nc1)C1CCOCC1 131390554 NGRWFUBBBIFFJS-GFCCVEGCSA-N 327.384 2.850 0 50 EFAA Cc1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c(Cl)cc1F 455873082 LUAXMWJAGUUWRS-GFCCVEGCSA-N 343.782 2.645 0 50 EFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 215664544 PQNYPGYGRCPRRH-IBGZPJMESA-N 349.438 2.642 0 50 EFAA Cc1cc2c(cc1C)O[C@H](C(=O)NCc1nccc(C(F)F)n1)C2 287347936 WCZXWQOOZSPHON-AWEZNQCLSA-N 333.338 2.651 0 50 EFAA COc1cccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)n1 176289669 NRMQCALAPBTVIM-CYBMUJFWSA-N 332.429 2.984 0 50 EFAA C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cn2ncsc2n1 223001277 NZTMIDXXBWLYJY-LLVKDONJSA-N 328.397 2.631 0 50 EFAA COCCC[C@@H]1CCCCN1C(=O)c1ccccc1N1CCOCC1 221411046 YTZDLRVFVIRKHC-KRWDZBQOSA-N 346.471 2.945 0 50 EFAA COc1cc(C(=O)NCCn2nc(C(F)(F)F)cc2C)ccc1F 222453958 DAABMZRNUVQQEP-UHFFFAOYSA-N 345.296 2.788 0 50 EFAA CC(C)c1cc(C(=O)NCCc2nc(Cc3ccccc3)no2)no1 82121506 IPPJFMZKQLCIIY-UHFFFAOYSA-N 340.383 2.744 0 50 EFAA CCc1cnc(-c2cccc(C(=O)N(C)Cc3cnn(C)c3)c2)nc1 426730399 KGCGRWCRRGRMGV-UHFFFAOYSA-N 335.411 2.712 0 50 EFAA CCN(CC)CCN1C(=O)[C@@](NC)(c2ccccc2)c2ccccc21 44124856 HKMPSYBPCYIFAU-OAQYLSRUSA-N 337.467 2.838 0 50 EFAA O=C(c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1)N1CCCC1 220102884 UOHHLRIVKZGMLD-INIZCTEOSA-N 349.434 2.913 0 50 EFAA CCc1oc(C(=O)NCc2c(C)noc2C)cc1CN1CCCC1 426403582 SHAFPCLAGUCXCL-UHFFFAOYSA-N 331.416 2.973 0 50 EFAA C[C@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1nc[nH]n1 180647386 VEMZIQRVVFWSNS-VIFPVBQESA-N 336.346 2.566 0 50 EFAA Cc1ccc(CSc2nc(N)cc(NCc3cc[nH]n3)n2)cc1 95500372 YOCYFZKNYBKAKK-UHFFFAOYSA-N 326.429 2.995 0 50 EFAA COc1ccccc1C1CCN(C(=O)NCCc2cn[nH]c2)CC1 426490131 DMJIMUQEYMRRKO-UHFFFAOYSA-N 328.416 2.550 0 50 EFAA CO[C@@H]1CN2c3cc(F)c(Br)cc3NC(=O)[C@]2(C)C1 238853918 LRECPTRYJIFBLR-CPFSXVBKSA-N 329.169 2.524 0 50 EFAA O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1COc2ccccc2C1=O 181595514 CFQFJTWAHLEZPR-KRWDZBQOSA-N 334.375 2.861 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1cnc(-n3cnnc3)c(C)c1)C2 95383275 ZDVOTCBGHHXXDN-HNNXBMFYSA-N 336.395 2.773 0 50 EFAA CCc1nc(C)sc1CNC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 91988046 OQHLFKZYQNSFEX-GFCCVEGCSA-N 347.415 2.895 0 50 EFAA Cc1[nH]c2c(C)ccc(C)c2c1Cc1nc(CN2CCOCC2)no1 96163167 FNJYGYDHIRZIFO-UHFFFAOYSA-N 340.427 2.899 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)N1CCC3(CCCC3)C1)CC(=O)N2 91585607 CUTFNMPXQWACQS-HNNXBMFYSA-N 328.412 2.914 0 50 EFAA COCCn1cncc1CN1C[C@](C)(c2ccccc2)CCC1=O 91391146 NPSVQLGECPSOFG-LJQANCHMSA-N 327.428 2.610 0 50 EFAA O=C(CCc1cccc2c1OCO2)N1CCC[C@@H]1CN1CCCCC1 184371634 AYHZQLBENXEFSU-QGZVFWFLSA-N 344.455 2.825 0 50 EFAA COC(=O)C[C@H](c1cccc(O)c1)c1oc2ccccc2c(=O)c1O 253407450 JWOXRXJKFLGCHR-CQSZACIVSA-N 340.331 2.899 0 50 EFAA biogenic Cc1cc(F)cc(NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)c1 299787469 XMXIJTOYRKRTDO-UHFFFAOYSA-N 347.312 2.763 0 50 EFAA C[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1nncn1C1CCCC1 299792232 GQQFSNWPMOCRMS-HNNXBMFYSA-N 345.491 2.979 0 50 EFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1F 299791657 HHGQMDSKODUUFF-QANKJYHBSA-N 337.391 2.633 0 50 EFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(SC)cc1 823086424 YODSMGSKPGIXMC-ZDUSSCGKSA-N 329.487 2.988 0 50 EFAA C[C@@H](NC(=O)N1CCCN(C(=O)C(F)(F)F)CC1)c1ccsc1 584886671 ZTRYAZZSQXFOCX-SNVBAGLBSA-N 349.378 2.615 0 50 EFAA CCN(Cc1ccc(C)o1)C(=O)NCCCN1C[C@H](C)O[C@H](C)C1 584886293 BYDWZQPLNZOEFA-IYBDPMFKSA-N 337.464 2.619 0 50 EFAA COc1ccc(Cc2nc([C@H]3CCOC3)n(-c3cccnc3)n2)cc1 670441517 BUTBKOLJVVYDFY-HNNXBMFYSA-N 336.395 2.766 0 50 EFAA CCN1CCO[C@@H](CN[C@H](C)c2cc(C)oc2C)[C@@H]1c1cncn1C 952852965 RRMDNQTZLPZTLM-CCKFTAQKSA-N 346.475 2.743 0 50 EFAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@H](C)Cn2ncnc21 1875280328 UHRPYHDTMHQXRA-CMPLNLGQSA-N 333.823 2.723 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1 1875373900 UCRHOLVAERXTBP-SFHVURJKSA-N 342.439 2.867 0 50 EFAA Cc1cc(C(=O)N=[S@]2(=O)CCC[C@@]3(CCCN3)C2)cc(C)c1F 1875393164 IDXPLLSAYFIPPD-SBUREZEXSA-N 338.448 2.967 0 50 EFAA O=C([C@@H]1CC12CCC2)N1C[C@@H]2CC[C@@H](Nc3cc(F)ncn3)C[C@H]2C1 1875408275 SCVURWYYZRKDMN-XQLPTFJDSA-N 344.434 2.845 0 50 EFAA CCNC(=O)c1ccc(NC(=O)c2ccccc2-n2cncn2)c(C)c1 952966042 GOVNWQKWIUVKSG-UHFFFAOYSA-N 349.394 2.578 0 50 EFAA CC(C)(C)c1ccc(OCc2nc([C@@H]3CCCNC3=O)n[nH]2)cc1 952975466 DXVGSJRSBTXRHW-AWEZNQCLSA-N 328.416 2.675 0 50 EFAA C[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccc(-c2ccncc2)c1 886097071 LZNNTQCNPSNDQM-ZVEHZALQSA-N 334.423 2.970 0 50 EFAA Cc1nccn1-c1ccc([C@H](C)N2CC(c3cc(CO)on3)C2)cc1 888078940 LKKYVOVAESBXOW-ZDUSSCGKSA-N 338.411 2.821 0 50 EFAA O=C(N[C@@H]1CCOC12CCCC2)c1ccnc(OCC(F)(F)F)c1 890418285 VWTXIXVCVJEDON-GFCCVEGCSA-N 344.333 2.854 0 50 EFAA COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1Cc2ccccc2NC1=O 1775998598 ZUISGHXKWIYLPB-CZUORRHYSA-N 338.407 2.992 0 50 EFAA Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(=O)n1C 278850794 DGHRNBYXUYTXCG-KRWDZBQOSA-N 343.402 2.880 0 50 EFAA C[C@H](C(=O)O)N(C)C(=O)/C=C/c1cc(Cl)ccc1OC(F)F 170675990 UCVJOIDKYLKOQD-GWSCVKMXSA-N 333.718 2.886 0 50 EFAA CCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)n(C)n1 170633874 LFTNKOSKHFRDGK-KGLIPLIRSA-N 334.464 2.642 0 50 EFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1scnc1C)CO2 171694800 AQBOOIMSFOLTRS-CYBMUJFWSA-N 332.425 2.670 0 50 EFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1Cc2ccccc2C2(CC2)C1 408473812 KAQLFHDFKLWHAQ-NVXWUHKLSA-N 337.423 2.572 0 50 EFAA COC(=O)c1ccc(CNc2ccc(C)c(N3CCNC3=O)c2)cc1 408514905 PSUSHNPNRFPUJI-UHFFFAOYSA-N 339.395 2.923 0 50 EFAA CN(C)[C@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccn2)n1 408512891 GVPWOBIKIFINTK-ZBFHGGJFSA-N 344.484 2.737 0 50 EFAA O=C([C@@H]1CCCCO1)N(CCc1ccccn1)Cc1ccncc1 408515544 OXODXKRZKWLQHK-SFHVURJKSA-N 325.412 2.617 0 50 EFAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(N2CCCCC2)c1 225467495 TVQQRKVVKPFKEW-DLBZAZTESA-N 344.459 2.843 0 50 EFAA COCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 191330803 ANUVGXOZRSRNIT-UHFFFAOYSA-N 330.409 2.812 0 50 EFAA CCC(CC)[C@H](CNc1cc(N2CCOCC2)ncn1)N1CCCC1 192272042 MKJWVFDFOLQSBM-KRWDZBQOSA-N 347.507 2.626 0 50 EFAA CCOC(=O)c1oc2c(c1C)[C@@H](NCC(C)(C)C(=O)NC)CCC2 193067483 BKQFZOBTFONJLX-LBPRGKRZSA-N 336.432 2.504 0 50 EFAA COc1cccc2c1CN(C(=O)NC[C@H]1CCCN(C(C)C)C1)CC2 655453004 ICQOFABKFPWCFL-MRXNPFEDSA-N 345.487 2.883 0 50 EFAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 663252622 BROPAEPPXJVEBN-OTWHNJEPSA-N 328.456 2.503 0 50 EFAA COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccncn2)cc1Cl 1506401590 NAXNABUUSPGUDR-SNVBAGLBSA-N 341.820 2.520 0 50 EFAA CCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 1506414050 MYNWKHDBOLAOTO-GFCCVEGCSA-N 346.818 2.856 0 50 EFAA O=C(Cn1ccc2ccccc21)N1CCCN([C@H]2CCSC2)CC1 1775982945 VSLSUSMWFZTTDN-KRWDZBQOSA-N 343.496 2.681 0 50 EFAA CCCNC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 1772810126 CHZXWFRJGRMFMW-UHFFFAOYSA-N 341.814 2.747 0 50 EFAA Cc1ccc(CNC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)o1 11935476 RISNXRIJZOHFES-UHFFFAOYSA-N 335.367 2.639 0 50 EFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccoc1 12304054 SQRKVTJXOFUETA-UHFFFAOYSA-N 336.395 2.679 0 50 EFAA CCCCc1nc2cc(C(=O)N3CCCN(C(C)=O)CC3)ccc2o1 12373716 SDROYGQIKLMILK-UHFFFAOYSA-N 343.427 2.865 0 50 EFAA COCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1 16903759 JHBWKKHKQQYURE-OAHLLOKOSA-N 326.396 2.931 0 50 EFAA O=c1c2cnc3ncnn3c2ccn1-c1cc(Cl)cc(Cl)c1 19960517 QTQYJHIBHUTLGE-UHFFFAOYSA-N 332.150 2.735 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CC=Cc2ccccc2F)C1 1857528755 IFXRAVUMIAUYJD-GOEBONIOSA-N 345.374 2.909 0 50 EFAA CCCO[C@@H]1C[C@@H](c2nc(CC)nn2-c2ccccn2)CC[C@H]1N 1857719445 NARAOLCASBGPHP-RRFJBIMHSA-N 329.448 2.615 0 50 EFAA CCn1nc(COc2cccc(F)c2)nc1[C@H]1CC[C@@H](OC)[C@H](N)C1 1857725373 SYKFENCAQBFGEG-APHBMKBZSA-N 348.422 2.626 0 50 EFAA CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 109867312 CUPSSWFNJHYJKS-MRXNPFEDSA-N 341.459 2.945 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2occc2Br)C1 225524810 FIFZOJAEAMLLTR-JTQLQIEISA-N 338.205 2.795 0 50 EFAA O=C(c1ccc(Cl)cn1)N(CCN1CCOCC1)c1ccccc1 119616025 WIWOODFSJLIIHS-UHFFFAOYSA-N 345.830 2.714 0 50 EFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccoc2C2CC2)nn1 643887693 WPURWARDIJZNIU-HNNXBMFYSA-N 326.400 2.990 0 50 EFAA CCCN(C(=O)c1ccc(-c2nnc(C)o2)cc1)[C@H]1CCN(C)C1 648999493 DDYUUOYUQPKZSQ-INIZCTEOSA-N 328.416 2.601 0 50 EFAA CC[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1OC 240278333 DQMQVTKRMGEXCP-SUNYJGFJSA-N 348.468 2.717 0 50 EFAA O=C(c1cccc(O)c1)N1CCC(n2c(O)nc3ccccc32)CC1 752268063 JAGLAMRYRSOQAU-UHFFFAOYSA-N 337.379 2.925 0 50 EFAA CCCN(CC)Cc1ccc(C(=O)N2CC[C@@](O)(C(F)F)C2)cc1 452676746 CPACHELFJHTPNS-SFHVURJKSA-N 340.414 2.761 0 50 EFAA CC(=O)NC1CCC(N[C@H](CO)c2ccc(Cl)c(F)c2)CC1 133346660 FNGWTHULAVIKIM-SEEARECTSA-N 328.815 2.549 0 50 EFAA CN(C)CC1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 252479509 BGPLEPZADFSEDY-OFLPRAFFSA-N 337.508 2.755 0 50 EFAA CC(=O)N1C[C@H](CCC(=O)N(C)Cc2ccncc2)c2ccccc21 373330551 DWZNKMZKRRBADY-KRWDZBQOSA-N 337.423 2.971 0 50 EFAA CO[C@H]1CCCN(C(=O)c2ccc(-c3cncnc3)cc2F)CC1 375379577 SRJJWYUFHJJGLD-HNNXBMFYSA-N 329.375 2.924 0 50 EFAA CC1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)CCC(O)CC1 1775998605 GJILCSZRZGNSTQ-UHFFFAOYSA-N 349.431 2.852 0 50 EFAA O=C(O)c1cccnc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 846243409 AXWAHAVTJUZRFA-MRXNPFEDSA-N 334.322 2.632 0 50 EFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC(Cn2cncn2)CC1 935489722 QCRGAQXPJVRDBH-UHFFFAOYSA-N 338.333 2.907 0 50 EFAA C[C@@H](NC(=O)c1ccc2c(=O)ccoc2c1)[C@@H](O)Cc1ccccc1 2325749112 QGSZSDZPJATURE-ACJLOTCBSA-N 337.375 2.515 0 50 EFAA NS(=O)(=O)c1cnc(N[C@H](C2CCC2)C2CC2)c(C(F)(F)F)c1 2325752943 GELLNJBXGMNYCJ-GFCCVEGCSA-N 349.378 2.738 0 50 EFAA Cc1ccc([C@]2(O)CCN(C(=O)c3cnn4c3CCC[C@@H]4C)C2)cc1 2325792897 TUWCMLOLTWTDJC-YWZLYKJASA-N 339.439 2.823 0 50 EFAA N[C@@H](CNC(=O)c1ccc2cccnc2n1)c1cc(F)cc(Cl)c1 2325856164 DGGCOEKYWGNHAJ-AWEZNQCLSA-N 344.777 2.852 0 50 EFAA CC(C)c1cc(O)nc(N2CC[C@H](N=c3cc[nH]c4ccccc34)C2)n1 2325859997 TWOUEJPZLIGEGC-AWEZNQCLSA-N 349.438 2.967 0 50 EFAA C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)NCC(=O)O 225569062 ICISWZCYFQBNEI-AWEZNQCLSA-N 326.396 2.547 0 50 EFAA CC(C)OC(=O)Cn1c(=O)sc2cc(Br)ccc21 406540 RCFFYWTUSLJGKD-UHFFFAOYSA-N 330.203 2.777 0 50 EFAA O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 575915 RTSVWWCADLZNGQ-UHFFFAOYSA-N 327.745 2.545 0 50 EFAA COCCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 1891444 CDBDRQAPZWIBRZ-UHFFFAOYSA-N 343.379 2.816 0 50 EFAA COc1ccc(NC(=O)[C@H](C)n2c(C)cc(C)nc2=O)cc1Cl 1994272 AHAPNQYMLWVWKD-NSHDSACASA-N 335.791 2.722 0 50 EFAA COc1cccc2c1C1(CCN(c3ncncc3F)CC1)OCC2 2356160288 LFKJIIMBZJIUOB-UHFFFAOYSA-N 329.375 2.693 0 50 EFAA CN1CCc2ccc(C(=O)Nc3ncc(-c4ccc(F)cc4)[nH]3)nc21 2356165769 NLJKQBNVKWOLMI-UHFFFAOYSA-N 337.358 2.855 0 50 EFAA C[C@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCNC1 353339154 PJBILNDWFNTRGP-VYDXJSESSA-N 340.826 2.815 0 50 EFAA COc1cc2c(cc1NC(=O)c1ccc3nc[nH]c3c1)NC(=O)CC2 345479077 GORCYBRZFKQXAY-UHFFFAOYSA-N 336.351 2.709 0 50 EFAA COc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 345618617 LKPNBNQMRLRZCB-RDTXWAMCSA-N 347.361 2.850 0 50 EFAA O=c1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH]1 9089984 DTDUWLKDYUSRNB-UHFFFAOYSA-N 332.407 2.764 0 50 EFAA CCc1cc(=O)[nH]c(SCc2nc(-c3ccccc3OC)no2)n1 9940916 BFXLFTIDZWBTRI-UHFFFAOYSA-N 344.396 2.683 0 50 EFAA CSc1cccc(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)c1 23367480 HVOIWCINHOSARL-CQSZACIVSA-N 346.500 2.760 0 50 EFAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2nnn[nH]2)[nH]1 67921098 IEHSJONXPSTENY-UHFFFAOYSA-N 348.414 2.567 0 50 EFAA CCc1nc(CN(C)C(=O)c2cc(NC(C)=O)ccc2Cl)no1 55154109 DWRGVKYAZJQNFD-UHFFFAOYSA-N 336.779 2.516 0 50 EFAA CCC[C@@H](C)c1nnc(NC(=O)c2nnc3nc(C)cc(C)n23)s1 55042015 DLFQQPOVYJOJOR-MRVPVSSYSA-N 345.432 2.749 0 50 EFAA CC(C)N1CCC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 67697266 GJWBMCIGBRKOBT-OAHLLOKOSA-N 326.444 2.927 0 50 EFAA COc1ccc(C2(NC(=O)c3cc(F)c[nH]3)CCOCC2)cc1F 351298342 AEUJDCYGBJKSMN-UHFFFAOYSA-N 336.338 2.737 0 50 EFAA CCc1cn[nH]c1C1CCN(C(=O)c2scc3c2OCCO3)CC1 67724441 SOGHIGQFFLMISD-UHFFFAOYSA-N 347.440 2.825 0 50 EFAA CCCc1nnc(S)n1CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252536077 HOLIREIHHOPJCI-BWACUDIHSA-N 336.505 2.850 0 50 EFAA CC(=O)c1ccc(OCc2nc(CC3CCN(C)CC3)no2)cc1 67491150 RJHVVYVHJQPZEK-UHFFFAOYSA-N 329.400 2.736 0 50 EFAA Cc1ccc(-c2nc(C)sc2CC(=O)N2CC[C@H](C(=O)O)C2)cc1 237689963 DFHUVGGELISRJT-AWEZNQCLSA-N 344.436 2.903 0 50 EFAA CO[C@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 253433293 VGQJGNGGPDYWGW-QGZVFWFLSA-N 346.406 2.826 0 50 EFAA Cn1c(CCNC(=O)c2cccc(F)c2F)nnc1-c1ccccc1 361543825 BVFIYVOODYIQLX-UHFFFAOYSA-N 342.349 2.733 0 50 EFAA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)s1 2580721 XEBOCMNQLRLDOT-BYPYZUCNSA-N 346.124 2.705 0 50 EFAA biogenic CC(C)N(C)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cn1 364502648 MNOUPKMOTYFDDU-GOSISDBHSA-N 344.503 2.903 0 50 EFAA COCc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccccn1 364827158 QWOGVSSEDRHOHL-IBGZPJMESA-N 339.439 2.509 0 50 EFAA O=C(c1ocnc1C1CC1)N1CCC[C@]1(CO)Cc1ccccc1 366175949 BJWKZPJPQYBMDI-LJQANCHMSA-N 326.396 2.762 0 50 EFAA CC(C)[C@H](CO)[C@@H](NCc1cn(C)nc1-c1cccnc1)C(C)C 449508835 HYQUZQUUOBEPIE-ROUUACIJSA-N 330.476 2.861 0 50 EFAA O=C(Nc1ccc(OCc2ccncc2)cc1)[C@H]1CC12CCNCC2 261935114 LWRUFJCEZWCALN-GOSISDBHSA-N 337.423 2.989 0 50 EFAA CC[C@@H](COC)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 129567485 UCAJWTUUCCQHDM-INIZCTEOSA-N 337.439 2.514 0 50 EFAA Clc1cnc(N2CC[C@@H](n3cncn3)C2)c(Br)c1 373027350 VEEHOVSTWMAZCL-SECBINFHSA-N 328.601 2.540 0 50 EFAA CN(C)C(=O)CCc1ccc(NC(=O)COc2ccccc2)cc1 36565651 ALHHWIBBQITXEJ-UHFFFAOYSA-N 326.396 2.725 0 50 EFAA CCOc1c(Cl)cc(CNC(=O)[C@H]2C[C@]23CCOC3)cc1OC 373409528 UNEGYPSAPXTTSO-PXAZEXFGSA-N 339.819 2.790 0 50 EFAA O=C([C@H](O)c1cccc(Cl)c1)N1CCCN(C2CCCC2)CC1 72473470 RYAMFSLNIYWPJD-QGZVFWFLSA-N 336.863 2.850 0 50 EFAA C[C@@H]1C[C@@H](C(=O)O)CN(Cc2cc3c(cc2OC(F)F)OCO3)C1 263072630 PTMPUYBMIRKHKV-MWLCHTKSSA-N 343.326 2.559 0 50 EFAA C[C@H](Oc1cccc(F)c1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 262770768 ABTCLEXHBDJWDM-GUYCJALGSA-N 345.370 2.747 0 50 EFAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCCc2ccccc21 240278270 DPYMFAUMOQLLHV-LESCRADOSA-N 332.444 2.635 0 50 EFAA CC(C)c1cc(N(C)Cc2nc(-c3ccncc3)no2)n2nccc2n1 72410439 ANLHUXBUXJJQOE-UHFFFAOYSA-N 349.398 2.934 0 50 EFAA CCc1cc(N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)n2nccc2n1 72432960 XPYUQUVFOPREBQ-HXUWFJFHSA-N 348.406 2.906 0 50 EFAA CCc1ccccc1N1C[C@@H](C(=O)Nc2cnccc2OC)CC1=O 131412932 DZPKREFLHKIBJH-AWEZNQCLSA-N 339.395 2.644 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C 72117509 SSHYBULKNIHQEW-CYBMUJFWSA-N 329.400 2.998 0 50 EFAA O=C(CC/C=C/c1ccccc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286022049 AICVXCLZZDAHRG-YFBQPHSGSA-N 329.440 2.868 0 50 EFAA CC(C)c1nnc2n1C[C@H](NC(=O)c1ccccc1OC1CC1)CC2 287364553 KBNFMPNQVAPQFG-CYBMUJFWSA-N 340.427 2.688 0 50 EFAA Cc1cc(C[C@H](C)Nc2ncnc3c2cnn3C)n(-c2ccccc2)n1 178781129 AVUQNSCLQZZYRN-ZDUSSCGKSA-N 347.426 2.901 0 50 EFAA CC(C)N1CCC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 426486067 TUGRMKWAXVTXAL-IBGZPJMESA-N 329.488 2.983 0 50 EFAA Cn1cccc1C(=O)N1CCN(c2nsc3ccccc23)CC1 223769203 UCEFJBXPICPWCF-UHFFFAOYSA-N 326.425 2.597 0 50 EFAA Cn1ccnc1[C@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 82108106 DGYPQHIZDPMNKO-HNNXBMFYSA-N 336.439 2.861 0 50 EFAA Cn1cnnc1-c1cncc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 178817517 RTGIVJMUKFXDKT-XLIONFOSSA-N 345.406 2.720 0 50 EFAA Cc1ccc2oc(=O)n(CC(=O)N[C@H]3COC4(CCCCC4)C3)c2c1 426489676 QHYHOMGNBLYJAU-CQSZACIVSA-N 344.411 2.511 0 50 EFAA O=C(O)CC[C@@H](NC(=O)COCc1ccccc1)c1ccccc1 193455037 SUWSMVIHUTZELR-QGZVFWFLSA-N 327.380 2.926 0 50 EFAA Cc1nc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c(C)o1 293161683 XLXQNKOHWYINTH-UHFFFAOYSA-N 346.774 2.967 0 50 EFAA Cc1nn(C)c2cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc12 293240384 KJZXNQMDBSCPBJ-UHFFFAOYSA-N 332.404 2.735 0 50 EFAA Cc1cccc2[nH]c(C3CCN(C(=O)Cn4nccc4C)CC3)nc12 91596114 OZRGVUGBGHTPKP-UHFFFAOYSA-N 337.427 2.782 0 50 EFAA CCc1cnc(-c2ccc(C(=O)N(C)Cc3nccn3C)cc2)nc1 426429799 LRXDSLOGNIWQBC-UHFFFAOYSA-N 335.411 2.712 0 50 EFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CC(N3CCCC[C@H]3C)C2)c1C 95359271 OGNHRODDODZBQT-GFCCVEGCSA-N 347.459 2.507 0 50 EFAA CCc1cc(CC)c(NC(=O)N2CCOC[C@H](CO)C2)c(CC)c1 96153913 FWTMTRXWRHRNGB-HNNXBMFYSA-N 334.460 2.846 0 50 EFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CC12CCNCC2 237681873 WNIDVRPFEDFIQC-MRXNPFEDSA-N 341.455 2.559 0 50 EFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 239439228 ZPWZVFMSXOCGAV-LLDVTBCESA-N 347.798 2.580 0 50 EFAA CO[C@H](C)CCC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 181301919 NCUVWDBLYPAWSC-CYBMUJFWSA-N 336.407 2.818 0 50 EFAA Cc1ccnc(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 95527001 FTEUPJFTWRPSDG-UHFFFAOYSA-N 334.427 2.809 0 50 EFAA O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@](CO)(CC2CC2)C1 91737820 MSYFQLSKPXAIIT-QGZVFWFLSA-N 341.448 2.530 0 50 EFAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 254095513 AYEXSTRNLGYBSQ-UIBPBAGISA-N 348.483 2.889 0 50 EFAA NC(=O)c1ccc2nc(CN3CCC[C@@H]3c3ccccn3)cc(O)c2c1 253536289 CSXKWQLLKDOBBS-GOSISDBHSA-N 348.406 2.771 0 50 EFAA N[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299743978 NAXUPDKDBLVBIC-INIZCTEOSA-N 340.423 2.708 0 50 EFAA Cc1cnc([C@H](C)NC(=O)N2CCC(CCN3CCCC3)CC2)[nH]1 534639264 OWPCLTFRIQBQHO-HNNXBMFYSA-N 333.480 2.687 0 50 EFAA CCc1c(C)nn(CCNC(=O)c2cc(-c3ccsc3)n[nH]2)c1C 299758224 MWGCIOHCEVYWAH-UHFFFAOYSA-N 343.456 2.944 0 50 EFAA COCCN1C[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)CC1=O 299787686 ZGJFTDACZCCZHH-CQSZACIVSA-N 344.377 2.632 0 50 EFAA CCCn1ncnc1[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 299761085 QZWOETONVJQDCU-ZDUSSCGKSA-N 325.416 2.979 0 50 EFAA CCn1nc2c(c1C(=O)NC1CCC(O)(CC)CC1)C[C@H](C)O[C@@H]2C 1875314521 ZXKNRNNYFZVFBT-NMGBHAPFSA-N 349.475 2.739 0 50 EFAA CCCN(Cc1cccc(OC)c1)C(=O)c1cn(C)c(C)cc1=O 952970962 WQLIVJOVWROGCN-UHFFFAOYSA-N 328.412 2.755 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(C(C)C)on1 952971147 XBPYADAPUAREMS-UHFFFAOYSA-N 327.344 2.640 0 50 EFAA O=C(CCc1ccccc1O)NC1(c2c(F)cccc2F)COC1 886635648 SEKHTYQXBHICKD-UHFFFAOYSA-N 333.334 2.645 0 50 EFAA COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(C(F)F)n2)nc1 890248670 IFGGMRZJGDMZDI-AWEZNQCLSA-N 336.342 2.588 0 50 EFAA C[C@H](NC(=O)N1CC(N2CCCC2=O)C1)c1cccc2ccccc12 891542699 JMTAXAQKXOPCKJ-AWEZNQCLSA-N 337.423 2.917 0 50 EFAA CC(C)Cc1ccccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1332670452 UCZONFQIYDPNQK-HXUWFJFHSA-N 343.471 2.695 0 50 EFAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C/C=C/c1ccc(F)cc1 1775957016 UHSCULYEMJCSRV-SWJNODNISA-N 346.406 2.618 0 50 EFAA O=C(c1cnccn1)N1CCCN(Cc2cc3ccccc3o2)CC1 980645082 VBFSKGILBUSUKC-UHFFFAOYSA-N 336.395 2.571 0 50 EFAA C[C@H](CNC(=O)N1CC[C@H](O)[C@@H]1C)c1ccc(Br)cc1 1428345446 IBEZSUWCKXCZDF-SUNKGSAMSA-N 341.249 2.717 0 50 EFAA CCN(CC(F)F)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 185798391 GQWOVMZQFKAZPQ-HNNXBMFYSA-N 338.398 2.581 0 50 EFAA Cc1ccc(C[C@@H](C)c2nc(CN3C(=O)NC(C)(C)C3=O)no2)cc1 170595968 RADHXYNWQBOAPX-GFCCVEGCSA-N 342.399 2.555 0 50 EFAA CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc(Cl)c1O 187911783 TXMOWCNUTORZBW-YGRLFVJLSA-N 327.808 2.941 0 50 EFAA Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N(C)C 408522053 CJGVBGFOXRSGGT-UHFFFAOYSA-N 325.529 2.833 0 50 EFAA CCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(O)c1 188513114 BWOFJESENFQYAR-RHSMWYFYSA-N 342.439 2.570 0 50 EFAA COc1ccc(F)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 110406901 SLNIIGCFWSPSBU-GFCCVEGCSA-N 338.379 2.574 0 50 EFAA Cc1nc(N2CCC[C@H](OCc3ccccc3F)C2)cc2nncn12 413270698 RIOCZOMEGPGRAH-HNNXBMFYSA-N 341.390 2.757 0 50 EFAA O=C(CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)N1CCCc2ccccc21 225396228 WGQKQEYBTOJRMC-BPUTZDHNSA-N 343.496 2.619 0 50 EFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225538019 QKUNQQJHYVEJDQ-GJZGRUSLSA-N 329.327 2.503 0 50 EFAA C[C@H](c1cnn(C)c1)N(C)C(=O)C1(c2ccccc2)CCOCC1 189166931 UVDFFHNRWVUPBV-OAHLLOKOSA-N 327.428 2.688 0 50 EFAA CN1C(=O)CCN(C(=O)c2coc(C3CCC3)n2)c2ccccc21 683444990 XRAWDSQLQWZNOQ-UHFFFAOYSA-N 325.368 2.955 0 50 EFAA CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1CC(O)C1 190138268 MRVARDKJJFNICD-UHFFFAOYSA-N 333.457 2.880 0 50 EFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2c(C)noc2C)C1 190567175 RAFSJNZTCIPRAJ-CQSZACIVSA-N 348.472 2.650 0 50 EFAA O=C(O)c1cccnc1N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 647456351 KRAIYVHZEPXAQT-GFCCVEGCSA-N 344.333 2.965 0 50 EFAA CCCN1CC[C@H](CNC(=O)N2CCCN(c3ccccc3)CC2)C1 193781803 DJUYPWSLDMAJPN-GOSISDBHSA-N 344.503 2.640 0 50 EFAA CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC/C=C/c1ccc(F)cc1 656857537 JEJJNUPIRGOPQV-LUODXLFYSA-N 342.418 2.665 0 50 EFAA CO[C@](C)(C(=O)O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 663051241 CESWOIMIJHIXPU-PXNSSMCTSA-N 339.391 2.947 0 50 EFAA FC(F)(F)c1ccncc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 663160778 NXBJPYLNGCOLBJ-ZETCQYMHSA-N 336.277 2.737 0 50 EFAA Cc1cc(F)ccc1N1CCC(N2CCOC[C@H](CN(C)C)C2)CC1 1506424321 KNQJXLYTIUHEJH-QGZVFWFLSA-N 349.494 2.613 0 50 EFAA CC(=O)Nc1nonc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 1506413812 LMBAEYZPVNXKLS-LLVKDONJSA-N 346.387 2.866 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)C[C@H]2O)n[nH]1 1529094667 JGPFGSJJUVAAAT-CRAIPNDOSA-N 341.455 2.691 0 50 EFAA Cc1cc(C[C@@H]2CN(Cc3cccc4c3ccn4C)C[C@H]2O)on1 1529120377 YJDNRRLXGNYJMS-DNVCBOLYSA-N 325.412 2.510 0 50 EFAA CCN(CCOc1c(C)cccc1C)Cc1cnc(C(=O)O)cn1 1772706980 OTYGUAWJKWZVBT-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA Cc1ccc(OCCCN(C)Cc2cnc(C(=O)O)cn2)c(C)c1 1772707355 YKZVGLXPUCLYRP-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA O=C(NC1CCOCC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772809227 PPFFMBBIHCWRCC-ZDUSSCGKSA-N 343.452 2.605 0 50 EFAA Cn1cc(CCC(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3)C2)cn1 11880059 QMRJGZZWWNHCKV-FQEVSTJZSA-N 346.519 2.713 0 50 EFAA CCn1ccnc1CN(C)C(=O)c1coc(COc2ccccc2)n1 12302982 OPCCNXMWWDNUMK-UHFFFAOYSA-N 340.383 2.742 0 50 EFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 13745543 AJQRXCHMQOCLTN-CYBMUJFWSA-N 336.457 2.988 0 50 EFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1C[C@@H]1Cc2ccccc2CO1 18211864 AWCKGOAGXDNJHN-XHSDSOJGSA-N 331.799 2.646 0 50 EFAA CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC(=O)[C@]3(C)C2)cc1 169690408 SZSPPIDCQGEOHT-FIYPYCPBSA-N 341.407 2.970 0 50 EFAA OC[C@H]1CCCN(CCn2ccnc2-c2ccc3cccnc3c2)C1 1857684809 FAASAUVFVQEOQC-INIZCTEOSA-N 336.439 2.803 0 50 EFAA CN(c1cc(N2CCCC[C@@H]2CO)ncn1)C1CC(OC(C)(C)C)C1 420626412 MHLROMBGALMPKF-QQFBHYJXSA-N 348.491 2.610 0 50 EFAA Cc1nc(C(=O)N[C@]2(C)CCCOC2)nn1-c1ccccc1C(C)C 332635634 HXMQMGLVUVJKMH-LJQANCHMSA-N 342.443 2.998 0 50 EFAA Cc1nc(C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)cs1 11841190 PNGCHVRQKQYHKL-AWEZNQCLSA-N 333.388 2.708 0 50 EFAA CC1(C)[C@@H](NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C[C@H]1O 249527789 ZFXXHWULSWSMOD-YNEHKIRRSA-N 330.350 2.619 0 50 EFAA CC1(C)C[C@H](NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)CCO1 154188018 WLVCSJLYLYOLLX-CQSZACIVSA-N 333.428 2.809 0 50 EFAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(Oc2ccccc2)cc1 262229779 NRPANWIXEUOVJB-OAHLLOKOSA-N 341.363 2.795 0 50 EFAA Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)O)CC[C@@H]2C)c(Cl)c1 263479229 FWAMTVBWUXUUME-WDEREUQCSA-N 331.821 2.522 0 50 EFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCC(=O)N1C 906277652 MJTHHUFPMQXSPB-ZDUSSCGKSA-N 328.334 2.675 0 50 EFAA CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)s1 821387476 ZTEZNUDCUKIGEC-LBPRGKRZSA-N 346.456 2.771 0 50 EFAA Cc1cnc2c(c1)N(C(=O)Cc1cccc(C(F)(F)F)n1)CCN2 827558766 CNHCRAIXHZSXFM-UHFFFAOYSA-N 336.317 2.805 0 50 EFAA c1nc(C2CN(c3nc(C4CCOCC4)ns3)C2)ncc1C1CC1 827603726 FOSXVGPSUPZINT-UHFFFAOYSA-N 343.456 2.703 0 50 EFAA COc1cc(O)ncc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 827790726 JTVFCPZOQAKLNH-CJNGLKHVSA-N 348.786 2.709 0 50 EFAA CCn1ccc(C(=O)Nc2ccc(I)cc2)n1 6700414 FMRSKBPSKMZRPZ-UHFFFAOYSA-N 341.152 2.760 0 50 EFAA c1ccc(CN2[C@H]3CC[C@H]2CC(Nc2nccn4cnnc24)C3)cc1 253428422 QBQDIYYEXOOLGC-IRXDYDNUSA-N 334.427 2.732 0 50 EFAA Cc1nc2ncnn2c(O)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 8584577 APFFQPXYRPBKOY-UHFFFAOYSA-N 341.415 2.683 0 50 EFAA CC(C)[C@@H](NC(=O)CC1(CC(=O)O)CC1)c1ccc2c(c1)OCCO2 2325770594 HVDBGBVCGPYGSU-GOSISDBHSA-N 347.411 2.916 0 50 EFAA O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@H]1CCNC12CC2 2325788192 RVVXHOPVTSTZLU-AWEZNQCLSA-N 331.803 2.548 0 50 EFAA COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1OC 2225374 HXGIRHXNRUDKQX-UHFFFAOYSA-N 330.291 2.889 0 50 EFAA Cc1ccccc1-c1cccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)c1 2356163859 UMFOMUSNBXKUNE-RXVVDRJESA-N 337.419 2.743 0 50 EFAA COc1ccc(C)cc1NC(=O)COc1ccc(C=O)cc1OC 4201544 FYMGMCZZFJXLCJ-UHFFFAOYSA-N 329.352 2.842 0 50 EFAA CCC(=O)Nc1cc2c(cc1Br)n(CC)c(=O)n2CC 4813640 CLVUFHCAAABNIX-UHFFFAOYSA-N 340.221 2.954 0 50 EFAA COc1ccc(C)cc1NC(=O)N1CCN(Cc2ccco2)CC1 6730815 VSOMPGYQCLDATE-UHFFFAOYSA-N 329.400 2.946 0 50 EFAA CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 6747347 ZRHOJSIKIABQFC-UHFFFAOYSA-N 338.473 2.694 0 50 EFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1 9143503 KZYOIHRUBBQONP-UHFFFAOYSA-N 325.393 2.962 0 50 EFAA C1=C[C@H]2C[C@H]1C[C@H]2CN1CCN(Cc2ccc3c(c2)OCO3)CC1 100419754 JBVCATTYCGLWHJ-SZMVWBNQSA-N 326.440 2.745 0 50 EFAA CC(C)CN1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1CCO 104503474 PNZPOJMRCHYLKU-MRXNPFEDSA-N 342.430 2.813 0 50 EFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 10450852 BSXKBWADEROCEI-ROUUACIJSA-N 344.455 2.658 0 50 EFAA COc1cccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 23361064 GGSPZGBUXUZIED-KRWDZBQOSA-N 346.496 2.826 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC2CCN(Cc3cccnc3)CC2)n1 67868851 ICQVQMZHSROJPE-INIZCTEOSA-N 327.476 2.538 0 50 EFAA Cc1cc(NC(=O)CN2CCCCCC2)ccc1N1CCCC1=O 25407523 TYYIHNRVKMUPTD-UHFFFAOYSA-N 329.444 2.936 0 50 EFAA O=C(c1csc(C(F)(F)F)n1)N1CCC([C@@H]2CCNC2)CC1 423638534 AXGBVDMTVLOTEM-SNVBAGLBSA-N 333.379 2.624 0 50 EFAA CCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 20541475 BSJCRUZATVUYBC-UHFFFAOYSA-N 326.400 2.592 0 50 EFAA O=C(c1csc(Cc2ccccc2)n1)N1CC[C@]2(CCCNC2)C1 67787511 VQTUTEGKEIRJQP-IBGZPJMESA-N 341.480 2.950 0 50 EFAA Cn1nc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)c2ccccc21 326499229 ZNRFTSNEZSCZRX-LBPRGKRZSA-N 329.400 2.536 0 50 EFAA O=C(NC[C@@]1(CCO)CCOC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 253393261 XRAJQQMFIDPOPY-DZGCQCFKSA-N 349.324 2.621 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)no1 67677845 DDTKMGLMIMGMPQ-JTQLQIEISA-N 327.344 2.734 0 50 EFAA Cn1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 253623467 VNWWDAOIPAWUQO-IUODEOHRSA-N 325.334 2.747 0 50 EFAA COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 153379 ZEWYWJINYJHKIJ-CQSZACIVSA-N 339.800 2.533 0 50 EFAA O=C(c1ccco1)N1CCC[C@H](NC2CCC3(CCNCC3)CC2)C1 67955713 GAGINVIOQHZHHR-KRWDZBQOSA-N 345.487 2.786 0 50 EFAA Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)C2)n1 257365483 BGEZJMNYZZYGRB-SNPRPXQTSA-N 330.457 2.695 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](c2ccccc2F)C1 77419616 WAYOKMSRUFTGOP-ZDUSSCGKSA-N 340.354 2.750 0 50 EFAA COc1c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)nn1C 124876428 LMMSAIZSNUTCNH-ZIAGYGMSSA-N 344.459 2.963 0 50 EFAA CCN1CC[C@H](N(C)C(=O)Nc2c[nH]nc2-c2nccs2)C[C@H]1C 333617097 HTXCJBNBRAPZSE-NEPJUHHUSA-N 348.476 2.870 0 50 EFAA CC[C@H]1CN(C)c2ccccc2CN1CC1CCS(=O)(=O)CC1 367215492 HPVNNAFPBVJWBS-KRWDZBQOSA-N 336.501 2.542 0 50 EFAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72164403 UVWSXUCUPCXVQE-GFCCVEGCSA-N 325.368 2.615 0 50 EFAA CCS(=O)(=O)c1ccc(CCc2nc(-c3ccccn3)no2)cc1 156080600 QLBKJLKXJXEFFT-UHFFFAOYSA-N 343.408 2.710 0 50 EFAA CNc1nc(C)c(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)s1 77420014 DGUIJGVBBGFLOZ-CYBMUJFWSA-N 333.461 2.551 0 50 EFAA O=C(NCc1ccccc1CN1CCCC1)N[C@H]1CCO[C@H]1C1CC1 371216492 SWZFOXPNALJIAG-OALUTQOASA-N 343.471 2.649 0 50 EFAA COc1ccc(CC(=O)N[C@H]2CN(C)Cc3ccccc32)cc1OC 376197942 PPPCGCBCJHMADW-KRWDZBQOSA-N 340.423 2.549 0 50 EFAA C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccccc1 35080234 HGOOISFRTZCVFQ-XIRDDKMYSA-N 334.460 2.955 0 50 EFAA O=C(c1cncnc1-c1ccccc1)N1CCC[C@H](N2CCCC2)C1 378486459 UPSAASKOOKVDLD-KRWDZBQOSA-N 336.439 2.844 0 50 EFAA CCC(CC)(CNC(=O)c1cncnc1-c1ccccc1)C(=O)O 262924385 JDZXCAPJFSERNW-UHFFFAOYSA-N 327.384 2.764 0 50 EFAA CNCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 241124333 JHJWXMBQERJCCG-CQSZACIVSA-N 325.412 2.678 0 50 EFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1NCC(F)F 497316557 UEXXNLKQIOFQJW-JHJVBQTASA-N 334.407 2.646 0 50 EFAA CC(C)CN1CCN(C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1=O 72134464 AKWUHJPCUJFJDJ-ZDUSSCGKSA-N 337.851 2.738 0 50 EFAA CN(Cc1csc(-c2cccs2)n1)C(=O)Cn1ccccc1=O 72411621 GQPXJQWHJCDXQP-UHFFFAOYSA-N 345.449 2.692 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc2c(c1)OCO2 77485574 YJXUTBGUBGHNJL-OAHLLOKOSA-N 347.411 2.682 0 50 EFAA Cc1nc(N[C@H](Cn2cccn2)c2ccccc2)c2cnn(C)c2n1 72123852 ZLSUOHFTJSZKEY-MRXNPFEDSA-N 333.399 2.722 0 50 EFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)NCC2CCCCCC2)CC1 263435167 ZQWCBGMZVBRJHY-INIZCTEOSA-N 339.480 2.537 0 50 EFAA CN(C)c1cccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 263432917 NXDJXLPGBXHLMY-SZMVWBNQSA-N 344.455 2.930 0 50 EFAA C1CCc2sc(CCN[C@@H]3CCOC4(CCOCC4)C3)nc2C1 82096394 QMBKTEJMHBGRCV-CQSZACIVSA-N 336.501 2.882 0 50 EFAA Cc1nnnn1-c1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 41985403 UTTLTYFNXVVRKC-UHFFFAOYSA-N 346.350 2.878 0 50 EFAA CC(C)N1CCC(N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)CC1 220113502 FHQRGGQWNYJPDT-MOPGFXCFSA-N 336.451 2.824 0 50 EFAA Cc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2=O)cc1 82167116 DRQLFEFKTYWJQO-UHFFFAOYSA-N 343.452 2.568 0 50 EFAA O=C1C[C@H](NCc2cnn3ccccc23)CN1c1c(F)cccc1F 180218541 HOZIGWJVAQTCJE-ZDUSSCGKSA-N 342.349 2.508 0 50 EFAA COc1ccc(OC)c([C@H]2CCN(c3ccc(C(=O)O)cn3)C2)c1 95502845 ILIBEQNSZHOFSU-ZDUSSCGKSA-N 328.368 2.791 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc3c1ccn3C)CC2 91908570 RZYMCCPETPBUMZ-MSOLQXFVSA-N 342.439 2.570 0 50 EFAA COc1ccc(-c2ncc(CN3CCCC[C@H]3CC(=O)O)cn2)cc1 97642514 RRDVEIQTWXVXJK-INIZCTEOSA-N 341.411 2.981 0 50 EFAA COc1cc(C)ccc1CN1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 426662632 ZXHHVXWPLZUSFT-YSIASYRMSA-N 349.471 2.525 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 95368804 NGPNFQXAGXPBIW-QGZVFWFLSA-N 334.435 2.510 0 50 EFAA O=C(NCCCSc1ccccc1)c1cc(=O)nc2sccn12 97547410 XXYVZRBPAOEOBW-UHFFFAOYSA-N 345.449 2.668 0 50 EFAA CCNc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)nn1 96148656 QALVLUZCCGWZKR-UHFFFAOYSA-N 334.445 2.652 0 50 EFAA COCCN1CC[C@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 91505166 IRFJTCZHTFKXDH-OAHLLOKOSA-N 342.443 2.538 0 50 EFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1O 91973848 NKORTYMQLMSGRP-NVXWUHKLSA-N 344.455 2.737 0 50 EFAA C[C@@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1cccs1 181151619 AZMMLZOKWJAXAX-GFCCVEGCSA-N 337.489 2.940 0 50 EFAA COc1ccccc1OC1CN(C(=O)[C@H](O)c2ccccc2Cl)C1 95363630 UVVVTENVTKCDDJ-QGZVFWFLSA-N 347.798 2.672 0 50 EFAA O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1COC2(CCCC2)C1 96136950 ZYMMWAFRHFYEBT-CQSZACIVSA-N 345.399 2.866 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](C)Cn1nc(C)cc1C 91575496 IMMVNJFGOXBSME-CQSZACIVSA-N 331.464 2.733 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C)C(=O)O 334160836 NJBVEHFDIDGBRB-MGPLVRAMSA-N 347.390 2.682 0 50 EFAA Brc1ccccc1N1CC[C@H](NCc2csnn2)C1 182227059 GSSMXTOHJMNYOZ-JTQLQIEISA-N 339.262 2.669 0 50 EFAA Fc1ccc([C@@H]2CN(Cc3nnc(-c4cccnc4)o3)CCO2)cc1 244724007 MLXSXPVUWCQPLL-INIZCTEOSA-N 340.358 2.844 0 50 EFAA COc1ccc(C(=O)N2CCC(Cn3cc(C)cn3)CC2)cc1F 299784072 FMEREEBKQLDABE-UHFFFAOYSA-N 331.391 2.892 0 50 EFAA COc1ccc(-n2ncnc2CCC(=O)N(C)C2CCCCC2)cc1 824698945 WQAWNLFKYLVPJW-UHFFFAOYSA-N 342.443 3.000 0 50 EFAA Cc1ccc(CC(=O)NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)c(Cl)c1 685940110 QUQKISVVUQUCQR-BBRMVZONSA-N 348.834 2.511 0 50 EFAA CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nn2)CC1(C)C 877575719 BXXKVGYDZMKHFR-UHFFFAOYSA-N 340.855 2.961 0 50 EFAA CC[C@H](SC)c1nc(-c2ccnc(N3CCC[C@@H](O)C3)c2)no1 952876742 VXZGJSVMPHSMBQ-OLZOCXBDSA-N 334.445 2.907 0 50 EFAA Cc1ccc(C2CC2)c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)c1 952888258 GGMVQSJSJYQWKJ-NVXWUHKLSA-N 340.427 2.635 0 50 EFAA C[C@]1(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)CC=CCC1 952883360 WCKBBPCNFFMCKG-NHYWBVRUSA-N 342.365 2.765 0 50 EFAA NC(=O)N[C@@H]1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)C1 1875281426 AFKBBCJTECBVQV-MRXNPFEDSA-N 336.395 2.737 0 50 EFAA Cc1cccc([C@@H]2NC(=O)N(Cc3ccn(CC(F)F)n3)C2=O)c1C 1875266168 DYZSBWANVLTLNP-HNNXBMFYSA-N 348.353 2.558 0 50 EFAA Cc1ccc(-c2nc(C(=O)NC3CC(n4cncn4)C3)cs2)cc1 1875321314 DDRXPDAYTOKRMS-UHFFFAOYSA-N 339.424 2.844 0 50 EFAA CCn1nc2c(c1C(=O)NC1CC3(C1)CC3(F)F)C[C@H](C)O[C@@H]2C 1875314203 MOMARQJOVUWQGX-UWJFOPRASA-N 339.386 2.843 0 50 EFAA CCCc1ncc(C(=O)N2CC[C@@](C)(NC(=O)c3ccoc3)C2)s1 1875407506 BMFDYLDJWXUJRV-QGZVFWFLSA-N 347.440 2.723 0 50 EFAA CCc1ncc(C(=O)Nc2cc(-c3ccc(O)nn3)ccc2C)cn1 952983612 QBVSACWPLVLAMD-UHFFFAOYSA-N 335.367 2.762 0 50 EFAA CC(C)(C)[C@H]1C[C@H](NC(=O)NCCc2nc3ccccc3[nH]2)CCO1 270621447 KBDZVLFDPGBQQO-CZUORRHYSA-N 344.459 2.998 0 50 EFAA COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 1365741361 NUPXZAYGHVJLNW-HNNXBMFYSA-N 349.456 2.951 0 50 EFAA C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)c1 273226727 DLKRNZBVQUCOQE-RXDRHKEWSA-N 342.439 2.969 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3cnc4ccc(Cl)cn34)O2)n1 275381118 YSLBBGOUAWTOBW-KGLIPLIRSA-N 347.806 2.689 0 50 EFAA Fc1cccnc1OC1CCN(Cc2nc(-c3ccco3)no2)CC1 278318074 NFKHQQKFGRGVIN-UHFFFAOYSA-N 344.346 2.907 0 50 EFAA Cc1ccc(-c2ccc(C(=O)N[C@H](C)CCS(C)(=O)=O)s2)o1 170593735 FTQOPIOMZCPKOV-SNVBAGLBSA-N 341.454 2.870 0 50 EFAA O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(-n2cnnc2)cc1 170593460 ZICIHJCWHQKRHB-UHFFFAOYSA-N 333.273 2.933 0 50 EFAA O=S(=O)(Nc1ncccc1Cl)c1cnc(-c2ccccc2)nc1 170602273 HESGIASIPXJLSX-UHFFFAOYSA-N 346.799 2.993 0 50 EFAA C[C@@H](NC(=O)CN1CCN2CCC1CC2)c1ccc2c(c1)CCCC2 170607353 WJUASGHHQKSWMR-MRXNPFEDSA-N 341.499 2.523 0 50 EFAA CN1Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2NC1=O 187065542 VJGPKNFWFPXIFE-UHFFFAOYSA-N 335.360 2.604 0 50 EFAA CCc1nn(C)c(CC)c1CN1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 281924274 AJJRUZFUCKIBBR-MGPUTAFESA-N 343.471 2.861 0 50 EFAA C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@@](O)(C(F)(F)F)C1 408274669 NESTYVNWYVVVJM-FZMZJTMJSA-N 347.385 2.629 0 50 EFAA CC[C@@H](C)OCC(=O)NCc1cccnc1-n1cnc2ccccc21 408519586 WUIYCODCZQWHFS-CQSZACIVSA-N 338.411 2.852 0 50 EFAA CCOC[C@H]1CCN(C(=O)[C@H](CN2CCCC2)c2ccccc2)C1 408518034 SGPKAARTAWJHSF-PKOBYXMFSA-N 330.472 2.751 0 50 EFAA O=C(CSc1nc2ccccc2s1)NCc1ncccc1O 225410100 WZWPGDKJXZSWIR-UHFFFAOYSA-N 331.422 2.805 0 50 EFAA CC(C)Cc1noc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)n1 191755289 HZUOEPAVHAXAML-INIZCTEOSA-N 342.443 2.501 0 50 EFAA Cn1c(CO)cnc1SCc1ccn(-c2ccc(F)cc2F)n1 192141215 PKFQPWIPVWKJET-UHFFFAOYSA-N 336.367 2.669 0 50 EFAA O=C(C[C@H]1COCCN1C(=O)N1CCc2ccccc21)c1ccco1 193491676 ARLPMVSNVWNGFL-HNNXBMFYSA-N 340.379 2.736 0 50 EFAA O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2CCC[C@H]2C1 194448370 COWPMABXBYXKIK-QRVBRYPASA-N 327.472 2.950 0 50 EFAA COc1ccc(OCCCN2CCC[C@@H](c3cc(O)ncn3)C2)cc1 1506407421 RXXBVSLAOSDBLQ-OAHLLOKOSA-N 343.427 2.839 0 50 EFAA CN(C)CCc1nnc(NC(=O)Cc2ccc(F)cc2Cl)s1 1529092701 XFJWPKUJFXKGAA-UHFFFAOYSA-N 342.827 2.616 0 50 EFAA COc1ccc2ccccc2c1CNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704337564 XLYPRTBDZXANMJ-DKSSEZFCSA-N 343.423 2.641 0 50 EFAA Cn1ccc(C2CCN(C(=O)NCc3cccs3)CC2)cc1=O 1772816384 PECLGFJQIYYWBZ-UHFFFAOYSA-N 331.441 2.536 0 50 EFAA Cc1nn(CCC(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1C 1772810915 PIIDELCUEIKJDV-UHFFFAOYSA-N 342.443 2.705 0 50 EFAA O=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1cccs1 5590670 BDSZSMQHPDDILC-UHFFFAOYSA-N 332.381 2.535 0 50 EFAA CCn1cc(C2=NO[C@H](C(=O)Nc3ccc(F)cc3F)C2)c(C)n1 5053512 HLFRJXPUAAZWER-HNNXBMFYSA-N 334.326 2.621 0 50 EFAA Cc1cc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)no1 13327112 ZVURJCREWQRXSE-UHFFFAOYSA-N 341.392 2.987 0 50 EFAA Cc1ccc(CNC(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)o1 15065925 XFSDYSSQGNNSGN-UHFFFAOYSA-N 349.394 2.948 0 50 EFAA COc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1 19774044 QXUDSVVJSOGRTK-UHFFFAOYSA-N 328.387 2.792 0 50 EFAA O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@@H]1CCCc2occc21 163535461 SJMQZZJLLVTKPM-DZGCQCFKSA-N 326.400 2.630 0 50 EFAA C[C@H](O)c1nc(-c2scc3c2CCCC3)n(-c2cnn(C)c2)n1 1857677557 HZAAUYICDUFOJD-JTQLQIEISA-N 329.429 2.661 0 50 EFAA CCOc1cc(-c2nccn2[C@@H]2CCOC2)ccc1OCCN(C)C 1857695405 IMEVJDKNEGUIFU-MRXNPFEDSA-N 345.443 2.851 0 50 EFAA Cc1nc(N(C)Cc2nc(O)c3sccc3n2)c2[nH]ccc2n1 1857704819 HCGMWYFFSMFYNJ-UHFFFAOYSA-N 326.385 2.613 0 50 EFAA COC[C@@H](c1ccnn1C)n1ccnc1-c1nc2ccccc2nc1C 1857699527 RMDBDWZGFOFSOO-KRWDZBQOSA-N 348.410 2.771 0 50 EFAA CC[C@]1(C)CN(C(=O)NCc2ccc(C)nc2N2CCCC2)CCO1 225504326 YESWXSRKZZANAT-LJQANCHMSA-N 346.475 2.701 0 50 EFAA COc1cc(Cl)ccc1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O 337270801 ZYUGFNHCCBWTIX-BZUAXINKSA-N 325.836 2.710 0 50 EFAA C[C@]1(CNC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)CCCS1 252498959 RRVAPILOMJWQJT-YQQAZPJKSA-N 338.448 2.929 0 50 EFAA O=C(c1nccc2ccccc12)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 261634544 HQVILWGVXGEEDX-OAHLLOKOSA-N 338.285 2.714 0 50 EFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(-c2ccncc2)on1 159260903 WAHGSLNGJBPZGW-CQSZACIVSA-N 327.384 2.958 0 50 EFAA Cc1ccc(-c2nnc3s/c(=C\c4cccs4)c(=O)n23)cc1 100827 GCGHEKGGYSWYOL-LCYFTJDESA-N 325.418 2.736 0 50 EFAA Cc1c(F)cccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 4512211 JOIVLUFLGJYOCA-UHFFFAOYSA-N 348.399 2.709 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCc3ccccc32)c1 2325784702 DCMZNIXHDXLUAK-AWEZNQCLSA-N 326.371 2.775 0 50 EFAA CC1(C)[C@H](N)C[C@@H]1CC(=O)N1CCCN(Cc2ccccc2F)CC1 2325799635 MHIXOQBAXNNXAW-SJLPKXTDSA-N 347.478 2.624 0 50 EFAA N[C@@]12CC[C@@H](CN(S(=O)(=O)c3ccccc3-c3ccccc3)C1)C2 2325870134 LAHWSFLCRVNHIY-DNVCBOLYSA-N 342.464 2.856 0 50 EFAA CC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 123913 CCKPEIMYOPVTAS-NSHDSACASA-N 336.347 2.512 0 50 EFAA CCOC(=O)N1CCC(N2CCN(c3ccccc3C)CC2)CC1 220814 KXFAMVBROUWNIE-UHFFFAOYSA-N 331.460 2.738 0 50 EFAA COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 450178 ITBIEWSYRIKYRE-INIZCTEOSA-N 338.407 2.673 0 50 EFAA COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 544245 ZEFNYMBUCYBLDN-UHFFFAOYSA-N 325.368 2.893 0 50 EFAA Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc(Cl)cc1 1864031 WCXNTMZAVPNQKD-UHFFFAOYSA-N 347.798 2.887 0 50 EFAA O=C(N1CCC[C@]12CCCN(C1CC1)C2=O)C1(c2ccccc2)CC1 2356138957 UDPHCTNDIYYVGK-NRFANRHFSA-N 338.451 2.864 0 50 EFAA Cn1nc2cccc(NC(=O)c3cc(-c4cccs4)nn3C)c2n1 2356139739 JKZUWBNAJQMXKU-UHFFFAOYSA-N 338.396 2.683 0 50 EFAA CCCCN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(F)ccc1C 2356164559 XSRNUQOFOIFRGD-HOTGVXAUSA-N 340.464 2.772 0 50 EFAA COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O 4488802 SEQIQDJLKWRKKQ-LLVKDONJSA-N 327.336 2.646 0 50 EFAA CCOC(=O)N1CCN(C(=O)c2ccc(OCC(C)C)cc2)CC1 4842021 NJZBSYOFUWFUEG-UHFFFAOYSA-N 334.416 2.636 0 50 EFAA COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(OC)cc1C 6703793 FTQXBROXKDJONX-AAEUAGOBSA-N 327.446 2.869 0 50 EFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc2nc(S)oc2c1 118878712 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EFAA CC(C)n1nc(C(=O)N[C@@H]2[C@H]3CCCC[C@H]32)c2ccccc2c1=O 252667085 CPYQRCPIYRUBOS-VIKVFOODSA-N 325.412 2.896 0 50 EFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([S@](C)=O)cc2)cn1 328646113 SJFURGPGLPLTDS-RHGYRFJNSA-N 347.484 2.650 0 50 EFAA CN(Cc1nc(C2CC2)n[nH]1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328650258 VMFFDAQQMVBRBS-KBPBESRZSA-N 349.479 2.788 0 50 EFAA CC(C)[C@@](C)(NCc1ccc(OCc2ccccn2)cc1)C(N)=O 253431518 WDASICJCLYHCJC-LJQANCHMSA-N 327.428 2.650 0 50 EFAA O=C(N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC(O)CC1 253421484 WMORMYKTZIFQKD-KMMPOOCJSA-N 342.483 2.564 0 50 EFAA Cc1nnc(N(C(=O)CCCNC(=O)c2ccccc2)C(C)C)s1 253430218 DXCXIMXBDLQQPJ-UHFFFAOYSA-N 346.456 2.798 0 50 EFAA Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@]2(CCOC2)C1 153770730 REUPXHUXJNRKLS-KRWDZBQOSA-N 332.425 2.893 0 50 EFAA Cc1cc(C)c(CN2CCC[C@](C)(C(N)=O)C2)c(-n2cccn2)c1 215649783 MLSBSNKBWHPWOS-IBGZPJMESA-N 326.444 2.577 0 50 EFAA CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(C(=O)O)n1 362527877 GTLAJIGPIMELIZ-MEBBXXQBSA-N 348.786 2.939 0 50 EFAA COC1CCN(Cc2ccccc2OCCCn2ccnc2)CC1 215101768 OIXLKEPYFTZYBD-UHFFFAOYSA-N 329.444 2.963 0 50 EFAA Cn1cnnc1[C@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 125971045 FIJKNEGJELEQFI-ZNFPLGDCSA-N 333.395 2.740 0 50 EFAA CC1(C)CN(C(=O)NCc2cnc(C3CC3)o2)C[C@@H](C(F)(F)F)O1 333653650 KYWBXJHAGZAWDR-NSHDSACASA-N 347.337 2.803 0 50 EFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 237996622 OSIDQJJZPMDUNC-CQSZACIVSA-N 345.374 2.871 0 50 EFAA CCOc1cc2c(cc1CNc1nc(C)cc(OC)n1)O[C@@H](C)C2 344422003 PVGGPSWNDDWXNL-LBPRGKRZSA-N 329.400 3.128 0 50 EFAA COC[C@H]1CN(C(=O)c2ccc(Cl)cc2OC)CC(C)(C)O1 285503067 NEFITFIUABECEF-GFCCVEGCSA-N 327.808 2.615 0 50 EFAA CCOc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 377748765 UZOORXCCZWEXOV-MRXNPFEDSA-N 340.427 2.583 0 50 EFAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1cccnc1 454164424 HSTAUXMRGIOMEE-VQTJNVASSA-N 335.451 2.966 0 50 EFAA Cc1cc(C)n(C2CN(C(=O)c3cc(-c4cccs4)nn3C)C2)n1 219301367 FLAKBIQGPGQVGD-UHFFFAOYSA-N 341.440 2.659 0 50 EFAA COCCNC(=O)c1cc(N[C@H]2CCCc3sc(C)nc32)ccn1 71498643 KSWQSFKERHZFHW-ZDUSSCGKSA-N 346.456 2.712 0 50 EFAA CCCCn1nc(C)cc1NC(=O)c1cc(-c2cnn(C)c2C)no1 13641854 CFNDSZNQZQQZLN-UHFFFAOYSA-N 342.403 2.941 0 50 EFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1ccc(F)cc1 72411489 OHIZIQXYDNVRKV-SFHVURJKSA-N 347.478 2.638 0 50 EFAA COC1CCN(C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)CC1 341263202 PJZBKSKGRMBCCC-UHFFFAOYSA-N 347.459 2.900 0 50 EFAA COCC1(O)CCN(C(=O)Nc2c(F)cc(Cl)c(C)c2F)CC1 341789323 IFUDPBWAIBONDG-UHFFFAOYSA-N 348.777 2.932 0 50 EFAA C[C@H](c1ccccc1)c1nccn1-c1ccc(S(N)(=O)=O)cc1 71614486 SHXLPUKZFIHOHC-CYBMUJFWSA-N 327.409 2.672 0 50 EFAA CC(=O)c1ccccc1-c1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 426394528 HGIRQHBFKHPUAG-SFHVURJKSA-N 336.391 2.565 0 50 EFAA O=C1[C@@H](Nc2ccc3oc(=O)[nH]c3c2)CCCN1c1ccccc1F 161928533 PTFIPZLKQFZBOO-ZDUSSCGKSA-N 341.342 2.868 0 50 EFAA O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H]1CCCN1 178789072 AXNZYVFDPNYPQP-SECBINFHSA-N 341.889 2.936 0 50 EFAA Cc1cc(C)cc(CSCC(=O)NCCCn2ccccc2=O)c1 221365074 CRLBNHIRLVJBOE-UHFFFAOYSA-N 344.480 2.905 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)no1 85532711 ZFHMZBWCBVZGCJ-ZDUSSCGKSA-N 343.412 2.751 0 50 EFAA COc1ccc2c(c1)OC[C@H](Cc1cc(C)ccc1OCC(N)=O)C2 91770123 MWVADRVHMRTQHV-AWEZNQCLSA-N 341.407 2.662 0 50 EFAA c1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cn(C2CCNCC2)nn1 91664669 HIJVLMFAVBYSLY-IBGZPJMESA-N 348.454 2.992 0 50 EFAA CCN(CCSc1ccc(C)cc1)C(=O)c1cnc(C)[nH]c1=O 91288682 NAEQDTWCCYVUCP-UHFFFAOYSA-N 331.441 2.641 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C(N)=O)c1F 180515785 SASFVSOSDPIGPH-UHFFFAOYSA-N 342.779 2.687 0 50 EFAA Cc1cccc(C)c1OCCCN(C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 91391477 JFFBQDCSQVUFBB-INIZCTEOSA-N 344.455 2.542 0 50 EFAA O=C(NCCCn1cc(Cl)cn1)c1ccc(CN2CCCC2)o1 141122167 SLTXEECFSHACQF-UHFFFAOYSA-N 336.823 2.545 0 50 EFAA CCCc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)[nH]n1 91494528 OMGSCIGNKIQSPF-JKSUJKDBSA-N 341.411 2.611 0 50 EFAA CCn1nc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)cc1C 91574290 TXJVQGNSXKVLOU-MRXNPFEDSA-N 326.444 2.810 0 50 EFAA COc1cccc(OCCN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 91713581 JESRXOVROVQECY-UZLBHIALSA-N 349.471 2.574 0 50 EFAA Cc1ccc(CN(C)Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)s1 244724002 MLVXIDGHYYLRPS-BETUJISGSA-N 331.489 2.820 0 50 EFAA Cc1cccc(N2CC[C@@H](CNC(=O)CN(C)C3CCCC3)C2)c1 244794900 QVXSALRXXNMYPN-KRWDZBQOSA-N 329.488 2.812 0 50 EFAA CCN(Cc1noc(C2CCC2)n1)[C@H](C)C(=O)Nc1ccccn1 243956939 CEPNLXCVOPRQMP-GFCCVEGCSA-N 329.404 2.581 0 50 EFAA CC(=O)OC[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]([C@H]5[C@H]6CCC[C@H]6[C@@H]1[C@@H]53)[C@H](O)[C@@H]1CC[C@@H]2[C@H]41 257357976 RBKKXXNIIJFVRI-IYUQKMGFSA-N 342.479 2.967 0 50 EFAA O=C(NC1(c2ccccc2)CCOCC1)c1scc2c1OCCO2 534664011 XLRRENFHIRQYGU-UHFFFAOYSA-N 345.420 2.955 0 50 EFAA Cc1cc(CN(C)C(=O)NC[C@H](c2sccc2C)N(C)C)on1 534581060 UNLTWRPGIQOGMZ-CQSZACIVSA-N 336.461 2.797 0 50 EFAA Cc1nn(CC(=O)NC[C@@H]2OCCc3ccccc32)c(C)c1Cl 370897359 GWUJZPXRKCTQCT-HNNXBMFYSA-N 333.819 2.584 0 50 EFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCCCc2c(C)n[nH]c2C)n1 299779709 PIQPTCWJLKRJRH-CQSZACIVSA-N 347.488 2.663 0 50 EFAA COc1ccc([C@@]2(C(=O)NCc3csc(N)n3)CC2(C)C)cc1 584902319 YCQSRFXCBJOSQA-QGZVFWFLSA-N 331.441 2.718 0 50 EFAA CCn1cnnc1CN(C)Cc1nc(-c2ccccc2Cl)no1 670438908 OVZCWVCHZSPVTQ-UHFFFAOYSA-N 332.795 2.633 0 50 EFAA Cc1nc2n(n1)C[C@@H](c1nc(Cc3cccc(C)c3F)no1)CC2 867160142 DUIVPXOMDGYWBF-ZDUSSCGKSA-N 327.363 2.738 0 50 EFAA CN1CCC[C@]12CCN(Cc1ccc(OCC(F)(F)F)nc1)C2 952884166 UWOGZPCEERSZKN-OAHLLOKOSA-N 329.366 2.693 0 50 EFAA CCn1nc(C)cc1C(=O)N(Cc1cncs1)Cc1cncs1 952995806 ZSTXNSKUTTZELZ-UHFFFAOYSA-N 347.469 2.967 0 50 EFAA N[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)c2ncc[nH]2)C[C@H]1CC1CC1 1875315381 RYNUWMJPKYBYAD-FGTMMUONSA-N 338.455 2.518 0 50 EFAA CCn1nc2c(c1C(=O)N1CCC13CC(COC)C3)C[C@H](C)O[C@@H]2C 1875314410 WHOLLGAOTJOHFU-NMGBHAPFSA-N 347.459 2.566 0 50 EFAA c1cn2nc(C3CCC3)cc2c(=NCC2CCN(CC3CC3)CC2)[nH]1 1875327027 WAHZBKIRWHACOQ-UHFFFAOYSA-N 339.487 2.953 0 50 EFAA O=C(NCCOCc1ccccc1)c1ccc(CN2CCCC2)o1 952978393 BWYFXPZVBJMNQR-UHFFFAOYSA-N 328.412 2.822 0 50 EFAA O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)C1(O)CCCCC1 886563269 QKSADQUFOPLFFX-ZDUSSCGKSA-N 331.334 2.550 0 50 EFAA CN1CC[C@H](Sc2cccc(COC(=O)c3ccco3)c2)C1=O 888093489 ZFKDCEICMMKNPD-HNNXBMFYSA-N 331.393 2.959 0 50 EFAA O=C(Cc1cn2ccccc2n1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888820439 CZCQROZUDJTYQT-YWZLYKJASA-N 332.407 2.810 0 50 EFAA CCc1nc(C)ncc1C(=O)N1CCC(F)(c2ccccn2)CC1 1412110251 UJZGTCRQSJYUSI-UHFFFAOYSA-N 328.391 2.843 0 50 EFAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCSc1ncccn1 1775992742 URAMOCZMGWFILK-NSHDSACASA-N 341.433 2.619 0 50 EFAA Cc1cc(C(C)C)nc(N[C@H]2CCN(c3cnnc(O)c3Cl)C2)n1 897432153 KWEWSVBQLLYHQS-NSHDSACASA-N 348.838 2.748 0 50 EFAA COC(=O)[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3OC[C@H]2C)C1 272894664 FIDKFAJTQZIGHV-RBSFLKMASA-N 331.412 2.776 0 50 EFAA CCCCN1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1434480088 FEZXGNBFVFFIRA-SFHVURJKSA-N 334.464 2.904 0 50 EFAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCc2ccccc2[C@H]1CO 170084128 OEYLIRADSVAXQV-SJKOYZFVSA-N 328.412 2.903 0 50 EFAA O=C(OC1([C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 170632500 KXIQFSJPZLKFSW-CABCVRRESA-N 335.444 2.670 0 50 EFAA Cc1ccoc1C(=O)NCCCCn1cc(Br)cn1 279277190 BHBDGUDJGVFCLG-UHFFFAOYSA-N 326.194 2.757 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 282439584 JKSBWKQIJCYHKY-QAPCUYQASA-N 329.371 2.711 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cc(Cl)cn2C)c1 282555144 QYHAKGFDCXMSLX-UKRRQHHQSA-N 334.803 2.635 0 50 EFAA CC(C)c1nc([C@@H]2CCCCN2Cc2nnc(C(C)C)n2C)n[nH]1 408473688 BEFOJBILGRNRAJ-ZDUSSCGKSA-N 331.468 2.907 0 50 EFAA O=C(c1cc2nc[nH]c2cc1F)N1CC2(CCOCC2)[C@H]1C1CC1 644896655 VYRSMYGAIURJSQ-MRXNPFEDSA-N 329.375 2.733 0 50 EFAA COc1cc(CNc2cccnc2N2CCC(O)CC2)ccc1C 194395739 JDPFKTFOXRVTEK-UHFFFAOYSA-N 327.428 2.972 0 50 EFAA CN(c1ccccc1)c1ccc(C(=O)N(CCO)CC(F)F)cn1 194411229 RVAIZRLVCVXSAF-UHFFFAOYSA-N 335.354 2.549 0 50 EFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CC[C@H](C2CC2)N1 653075576 SHEIBLUNOBLYNS-QZTJIDSGSA-N 341.455 2.782 0 50 EFAA Cn1cc([C@@H]2OCC[C@H]2CNCc2c[nH]nc2-c2ccccc2)cn1 666433533 BBUNIQZVBVKQPF-HNAYVOBHSA-N 337.427 2.678 0 50 EFAA Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)c2)n1 216550179 NIBBQFPZPLVJKU-LPHOPBHVSA-N 338.455 2.655 0 50 EFAA O=C(CC1CCCC1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615963922 XKPFYTYZABXORS-OALUTQOASA-N 328.456 2.851 0 50 EFAA O=C1CC[C@@H](N2CCC(c3ccnc(O)c3)CC2)CCN1CC1CC1 1772814166 MMNGSEUEHQMQIM-GOSISDBHSA-N 343.471 2.758 0 50 EFAA O=C(Nc1ccc(Br)c(Br)c1)c1nc[nH]n1 5730994 CXGLDFXIVZOXRJ-UHFFFAOYSA-N 345.982 2.582 0 50 EFAA COc1cccc(NC(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)c1 11661924 GGBQADDRBCMINU-MRXNPFEDSA-N 345.443 2.998 0 50 EFAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)C1CCCCC1 11697761 BIJSTFDRXJKPET-UHFFFAOYSA-N 340.431 2.724 0 50 EFAA CCN(CC)CCNC(=O)c1ccc(OC)c(Br)c1 12404326 HOHOWDBONVHGLC-UHFFFAOYSA-N 329.238 2.529 0 50 EFAA COc1cccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)c1 12465748 FDPDNGUTRBPTJY-KRWDZBQOSA-N 327.428 2.877 0 50 EFAA COc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1Cl 1857530115 FTLBLDDIHPXZPB-WBMJQRKESA-N 349.818 2.590 0 50 EFAA CC(C)c1ccc(C=CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1857533340 CYLDPBZEHDPPDT-QGZVFWFLSA-N 335.469 2.859 0 50 EFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 1857732527 VAQKJQUNXPINRV-GFCCVEGCSA-N 339.317 2.788 0 50 EFAA COCCc1cc(NC(=O)NCC(C)(C)c2ccccc2F)n(C)n1 128058550 JWSUTHCSXMOKTM-UHFFFAOYSA-N 348.422 2.847 0 50 EFAA COc1cc(-c2noc(CN(C)C3CCC3)n2)cc(OC)c1OC 135254915 HAIHJXZJSXCQIQ-UHFFFAOYSA-N 333.388 2.747 0 50 EFAA O=C(NN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 18244608 SUSZGVYSZDCKOU-UWVGGRQHSA-N 341.194 2.813 0 50 EFAA Cc1ccc(C[C@@H](CO)CNCc2ccc3c(c2)OCCO3)cc1 252497187 QAZHFMXIADZDTB-GOSISDBHSA-N 327.424 2.707 0 50 EFAA CCN1CC[C@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C 252504367 AIYAOFCIKJBMMU-ZBFHGGJFSA-N 347.459 2.549 0 50 EFAA COCCn1ccc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)n1 364416204 OFYZOTNLUOWSFL-IBGZPJMESA-N 327.428 2.642 0 50 EFAA O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 263152380 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346.434 2.769 0 50 EFAA CCC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 2325843126 WFAWGGVBQBWVFS-SHYRYGCCSA-N 346.475 2.690 0 50 EFAA C[C@@H](NC(=O)c1cccc(C(=O)c2ccccc2)c1)[C@@H](C)n1cncn1 2325865074 LTFNABMTERWCDG-HUUCEWRRSA-N 348.406 2.889 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 48261 YXYYNLLGGPQOKU-UHFFFAOYSA-N 326.396 2.849 0 50 EFAA COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2)CC1 119858 DYXAXBRYIKCNBP-UHFFFAOYSA-N 339.439 2.846 0 50 EFAA CN(C)CCCN1C(=O)CS[C@H]1c1ccc(Br)cc1 196403 HSKHUWQBIRBHPO-AWEZNQCLSA-N 343.290 2.975 0 50 EFAA CC(=O)Oc1cn(C(C)=O)c2ccc(I)cc12 294920 XOGNTWBEKXNMPX-UHFFFAOYSA-N 343.120 2.831 0 50 EFAA CCCC(=O)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 351009 MVRVXOQMWNOFKM-UHFFFAOYSA-N 344.392 2.953 0 50 EFAA COc1cc(OC)c(OC)cc1CNC[C@H]1COc2ccccc2O1 1889152 IMBQTQFQILWSGI-AWEZNQCLSA-N 345.395 2.642 0 50 EFAA c1cn2c(N3CCC4(CC3)OCCc3ccsc34)cncc2n1 2356141486 DNJRSQGVMFQDMW-UHFFFAOYSA-N 326.425 2.859 0 50 EFAA CO[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2547863 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CC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@]1(C)O 1432048 MFKLLAQUAVKHSB-AWEZNQCLSA-N 346.305 2.583 0 50 EFAA O=C(Nc1ccc2c(c1)CN(Cc1ccncc1)CC2)[C@@H]1CCCO1 12076372 VYMCDDWLJHEQRM-IBGZPJMESA-N 337.423 2.757 0 50 EFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3snnc3C)C2)c1 77354096 RHMZMWPWRRLORZ-ZDUSSCGKSA-N 347.440 2.786 0 50 EFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 125301109 HFVXRUXUUGLZRD-RTXFEEFZSA-N 328.334 2.509 0 50 EFAA COCCc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)cc1 362126891 WCCGKNUGTALUFV-UHFFFAOYSA-N 349.408 2.683 0 50 EFAA O=C(c1ccccc1Cc1ccccc1)N1CCC[C@@H](c2nn[nH]n2)C1 371019970 VOMZVZDEQLFZDP-QGZVFWFLSA-N 347.422 2.810 0 50 EFAA COc1cc(OC)c(CCN[C@H]2CCCc3c2cnn3C)c(OC)c1 157151343 YYDXWFPQTWJMAQ-INIZCTEOSA-N 345.443 2.656 0 50 EFAA O=C(O)CN(C(=O)C[C@@H]1CCCc2ccccc21)C1CCOCC1 238098708 GLBQFVLDBGPCIZ-HNNXBMFYSA-N 331.412 2.589 0 50 EFAA CCc1ncsc1NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 157687977 DQLXYBBHHLTIJL-HNNXBMFYSA-N 345.468 2.935 0 50 EFAA COc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1Cc1ccccc1 262391780 AJVNXTWUINPNBJ-CVEARBPZSA-N 325.364 2.945 0 50 EFAA O=C(NC1CCCC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72469761 CBGOINYIEQXBLE-UHFFFAOYSA-N 332.400 2.637 0 50 EFAA CC(C)c1nccn1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 375816197 RXXSGJSFOMIDLA-KRWDZBQOSA-N 326.444 2.943 0 50 EFAA COc1c(F)cc(CN2CCCC[C@@H]2CCNC(C)=O)cc1F 77356589 LUJLGYKHXHVDEV-CQSZACIVSA-N 326.387 2.854 0 50 EFAA CCCn1nccc1C(=O)N1CCN(c2ccccc2OC)C[C@H]1C 72427107 JUOFQENXXZCSCY-OAHLLOKOSA-N 342.443 2.653 0 50 EFAA O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1CCn2cncc2C1 72144034 LYEILTJRABVNIZ-HXUWFJFHSA-N 347.418 2.957 0 50 EFAA Cc1nnc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)s1 239654228 BMZUGNSDJAOXPR-MLGOLLRUSA-N 331.445 2.740 0 50 EFAA CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 175764074 OBBYEQVSENZCBM-INIZCTEOSA-N 345.487 2.824 0 50 EFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C)nc2c(C)c(C)ccc12 77436484 GVFQNQGUMNGTOY-ROUUACIJSA-N 341.455 2.609 0 50 EFAA CC(C)c1nc(CN(C)Cc2cnc(N3CCCCC3)nc2)no1 214949296 UKMNTMPGVRTMEO-UHFFFAOYSA-N 330.436 2.605 0 50 EFAA CCCc1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)no1 82120062 FUNATSOKKIMANA-INIZCTEOSA-N 339.399 2.780 0 50 EFAA Cc1cnc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 82121052 RDGAEGDRVWEZEB-AWEZNQCLSA-N 335.411 2.756 0 50 EFAA CSCc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)o1 220382384 BHOYEFNLCWJGED-OZVIIMIRSA-N 332.425 2.780 0 50 EFAA COc1ccccc1CCCNC(=O)N1CC(N2CCCC[C@H]2C)C1 426690300 NCUFGISDTYCJEX-MRXNPFEDSA-N 345.487 2.896 0 50 EFAA Cc1cc(C(=O)NC[C@@H]2COCCN(C)C2)c2ccc(Cl)cc2n1 426740398 HBDOMRVCQRGVAP-ZDUSSCGKSA-N 347.846 2.505 0 50 EFAA Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc(F)cc23)cn1 221353262 NHLVSDVPCUTKJQ-LLVKDONJSA-N 325.343 2.862 0 50 EFAA C[C@@H](C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1 91845794 AQINMTNMAXOEJD-INIZCTEOSA-N 344.503 2.874 0 50 EFAA Cc1cccnc1NCCNC(=O)c1cccc([C@H]2CCCNC2)c1 95375831 IWMWAYLLBRQWQX-SFHVURJKSA-N 338.455 2.699 0 50 EFAA O=C(COCc1ccccc1)N1CCC(OCc2cccnc2)CC1 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332.423 2.927 0 50 EFAA C[C@@H](Cc1cnccn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1 244899918 ZSTOYRIQIWWULL-LBPRGKRZSA-N 347.488 2.732 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 299748311 GVTUGCIBAUTPDG-RWMBFGLXSA-N 327.302 2.885 0 50 EFAA CN(Cc1nc(O)c2sccc2n1)C1CSCCSC1 1506425568 PPYSDUDKUWATNC-UHFFFAOYSA-N 327.500 2.677 0 50 EFAA NCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(Cl)cn3)c2)CCO1 299783413 ZDCCZHOHCXQQJB-MRXNPFEDSA-N 345.830 2.592 0 50 EFAA CCc1nnc(CN(C)C(=O)NCCc2ccccc2OC(C)C)o1 584898441 NQARYTYTEKSBCI-UHFFFAOYSA-N 346.431 2.803 0 50 EFAA C[C@@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1 670456612 IDMGBRGAVVPSTA-LLVKDONJSA-N 331.326 2.955 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H](F)c1ccc(F)cc1 1875280575 XNLPVRHZRFAONO-IRXDYDNUSA-N 344.361 2.754 0 50 EFAA C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ncccc1Cl 1875328120 ZKKFGNAJVLKNOP-NSHDSACASA-N 327.775 2.807 0 50 EFAA O=C(NCCc1ccccc1F)NCc1nncn1C1CCCCC1 952973380 SRORCQRSANPPTD-UHFFFAOYSA-N 345.422 2.964 0 50 EFAA 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CCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 280899408 GVLAUTIMFYOOKM-HIFRSBDPSA-N 337.420 2.657 0 50 EFAA CC(C)=CC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 408517594 MXIXPPBYEXCIQJ-GFCCVEGCSA-N 325.206 2.790 0 50 EFAA COC(=O)[C@]1(C)CN(C(=O)Nc2ccc3scnc3c2)C[C@H]1C 282797845 RSVIYQDYYMBWHT-QLJPJBMISA-N 333.413 2.959 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225682950 SEYXEXNEEOARGH-SUMWQHHRSA-N 325.343 2.650 0 50 EFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)c1c[nH]nc1-c1ccsc1 188890769 UDFSIWLVZONUHB-CYBMUJFWSA-N 339.424 2.542 0 50 EFAA COc1ccc([C@@H](NC(=O)Cc2c(C)n[nH]c2C)C(F)(F)F)cc1 189426078 RRFJLCHHXWRFCF-OAHLLOKOSA-N 341.333 2.997 0 50 EFAA CC(C)Cn1cc(C(F)F)c(C(=O)NC2(C(=O)O)CCCC2)n1 190583682 LDXQHXVJALOVLT-UHFFFAOYSA-N 329.347 2.604 0 50 EFAA CC[C@H](C(=O)O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 191437027 JLUHOZFURJYDSD-HZPDHXFCSA-N 326.387 2.897 0 50 EFAA C[C@H](CNC(=O)N[C@H]1CCCc2c(O)cccc21)Cn1cccn1 191499584 LSJOCMBCEULNFO-CJNGLKHVSA-N 328.416 2.602 0 50 EFAA CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc3sccc3[nH]1)CC2 192161374 JALUAYATIPEPNA-SNVBAGLBSA-N 329.429 2.689 0 50 EFAA COCCc1cc(NC(=O)N2CCc3cc(Cl)ccc3C2)n(C)n1 192339783 VUXYNXSOCYJICL-UHFFFAOYSA-N 348.834 2.853 0 50 EFAA CCNC(=O)c1ccc(C)c(NC[C@@H]2CCO[C@H]2c2cnn(C)c2)c1 667737631 RJAIDBUHKFXVKO-MAUKXSAKSA-N 342.443 2.668 0 50 EFAA C[C@@H]1CCCc2nc(S(=O)(=O)N(C)c3ccc(F)c(F)c3)cn21 668108387 IWXFDIMUBSCHRH-SNVBAGLBSA-N 341.383 2.884 0 50 EFAA CCCCS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704301319 UPVSGRQWOXJAPN-CRAIPNDOSA-N 348.468 2.512 0 50 EFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccco1 3070316 ZZVGGCCUMFTDHV-KBOKABMXSA-N 338.363 2.675 0 50 EFAA CC(=O)N[C@H]1CN(c2cc(C(=O)O)c3ccccc3n2)C[C@@H]1C(C)C 216952851 LTODDCLYHXNANW-WBVHZDCISA-N 341.411 2.530 0 50 EFAA CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(OC)cc1 12274660 PJJDKBMQAVHOKS-UHFFFAOYSA-N 328.416 2.901 0 50 EFAA Cc1ccc(-c2ccc(NC3CCCCC3)nn2)cc1S(N)(=O)=O 16626088 AKLMPWKECKRPEE-UHFFFAOYSA-N 346.456 2.844 0 50 EFAA Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)no1 16650961 JPDAQTWQVLRRRR-UHFFFAOYSA-N 331.347 2.613 0 50 EFAA O=C(O)[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC12CCOCC2 1857681625 BAJFTKNTSPINMP-OAHLLOKOSA-N 344.386 2.687 0 50 EFAA CCCN1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C)CC1 252480475 CATBKBDGODILCJ-UHFFFAOYSA-N 331.420 2.676 0 50 EFAA Cc1ccc(C[C@H](CO)CNC(=O)CCOc2ccccc2)cc1 252500365 STDNLMGFDCTWRS-SFHVURJKSA-N 327.424 2.731 0 50 EFAA Cc1cc(Cl)cc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 154781627 IRBYCOHJVVPOLK-NSHDSACASA-N 329.849 2.686 0 50 EFAA CC(C)CO[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 155269138 AWJICBBFZNHOHD-INIZCTEOSA-N 348.443 2.804 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cnn(C)c2C2CC2)N2CCCC2)o1 263666890 DQJMSEBWFBNMMJ-INIZCTEOSA-N 342.443 2.766 0 50 EFAA C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 266926782 XOIOXBCDDUQJMS-MAUKXSAKSA-N 326.444 2.652 0 50 EFAA CC(C)n1nccc1CN[C@@H]1C[C@@]2(CCNC2)Oc2ccccc21 904472609 NDAHXDJGHOHBQE-IEBWSBKVSA-N 326.444 2.810 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc3cnn(C)c3c1)O2 812548360 HYMGRAZFGXPZDL-IBGZPJMESA-N 335.407 2.892 0 50 EFAA CCc1nnc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)o1 818024025 HWWYXEPPNRHWGY-CRAIPNDOSA-N 331.416 2.513 0 50 EFAA Cc1cc(O)nc(N2CCC[C@@H](Nc3ncnc4sccc34)C2)n1 1262705244 CMYZEHNHQGZLEH-LLVKDONJSA-N 342.428 2.576 0 50 EFAA Cc1cc(O)nc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccco2)C1 2100545291 NIODCCOLTBDNJK-CQSZACIVSA-N 329.400 2.848 0 50 EFAA O=C1CCC[C@H](Sc2nnnn2[C@@H]2CCOC2)c2ccccc21 2325772723 VWGFMHADMQNZST-ABAIWWIYSA-N 330.413 2.835 0 50 EFAA CC[C@](O)(C(N)=O)c1ccc(-c2cccc(C3(O)CCC3)c2)cc1 2325802108 IIMZNPGCYYAYKO-HXUWFJFHSA-N 325.408 2.808 0 50 EFAA Cc1nc(C(=O)NCc2noc3c2COCC3)c(-c2ccccc2)o1 886970162 WAENSBUCKIXOJX-UHFFFAOYSA-N 339.351 2.641 0 50 EFAA COc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 308817 WEQQAHSWPVRXGQ-UHFFFAOYSA-N 344.455 2.996 0 50 EFAA CCOC(=O)N1CCN(C(=S)Nc2ccccc2Cl)CC1 468873 VADZYYPWUVQLMO-UHFFFAOYSA-N 327.837 2.811 0 50 EFAA CCN1Cc2nnc(-c3ccc(OC)cc3)n2[C@@H](CC(C)C)C1=O 2356139027 KDTPHSGCFAGFOG-HNNXBMFYSA-N 328.416 2.903 0 50 EFAA CC[C@]1(O)CCC[C@H]2CN(Cc3cc4c(cc3OC)OCO4)C[C@H]21 2356155374 DXUPOTOKGYJKQJ-OHNRDTAOSA-N 333.428 2.797 0 50 EFAA COc1ccc(NC(=O)c2ccco2)c(NC(=O)[C@@H]2CCCO2)c1 4520020 RURZLHFVHQGXEN-HNNXBMFYSA-N 330.340 2.658 0 50 EFAA Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1 4539544 JIJRBRTZAHVDKK-UHFFFAOYSA-N 325.397 2.702 0 50 EFAA CCOc1cc(S(=O)(=O)Nc2cccnc2)c(OCC)cc1C 4970405 PYYKHSXRDCMSAG-UHFFFAOYSA-N 336.413 2.988 0 50 EFAA CC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 7496996 SQKZCDGKIIMZQL-UHFFFAOYSA-N 337.851 2.993 0 50 EFAA CN(CCc1ccccc1)Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1 102067077 QLYUEVPSUAIGNE-IRXDYDNUSA-N 339.439 2.974 0 50 EFAA O=C(c1ccccc1)N1CCN(Cc2cccn2-c2cccnc2)CC1 55061216 IDAQSDUUUGUFDV-UHFFFAOYSA-N 346.434 2.830 0 50 EFAA CC(C)[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 122610646 ZMYOPOREFMFREM-ROUUACIJSA-N 343.471 2.879 0 50 EFAA CCCc1cc(C(=O)N(Cc2cccnc2)Cc2cccnc2)[nH]n1 55099543 HBPFVLRAHBXJIA-UHFFFAOYSA-N 335.411 2.995 0 50 EFAA CCSc1nc(CC(=O)NCC[C@@H]2CCCCN2C)cs1 55120570 FBOZNLZJPVHHAC-ZDUSSCGKSA-N 327.519 2.788 0 50 EFAA CCc1cc(OCCOCCN2CCN(CC)CC2)ccc1Cl 20390144 YNHMYGBTYCOACU-UHFFFAOYSA-N 340.895 2.935 0 50 EFAA Cc1cccc(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)c1 67655082 MIMLSERNZKIEQE-GOSISDBHSA-N 348.450 2.858 0 50 EFAA COc1cccc(-c2cc(CNC(=O)Cc3csc(C)n3)no2)c1 65410385 KOIPLHQPPXIALM-UHFFFAOYSA-N 343.408 2.974 0 50 EFAA CCS(=O)(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 249337416 INBISUKJAYPWHX-DOMZBBRYSA-N 331.865 2.537 0 50 EFAA Cc1nc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)no1 122943968 VYGCHWNJVHRJRG-UHFFFAOYSA-N 343.383 2.739 0 50 EFAA CO[C@@H](c1ccccc1)c1nnc(CCC(=O)NCCC(C)C)o1 12315600 XEYBFKTXSMBFHK-KRWDZBQOSA-N 331.416 2.900 0 50 EFAA CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)N)c1Br 236813633 JEWGHECNMKSWBS-NXEZZACHSA-N 343.269 2.638 0 50 EFAA O=C(c1cccnc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71439415 OPDMREUJZSPALO-XUVXKRRUSA-N 333.435 2.784 0 50 EFAA C[C@@H](CN(C)C)C(=O)NCc1cccnc1Oc1ccccc1F 71315131 WDQLWDJDMWKCHR-ZDUSSCGKSA-N 331.391 2.827 0 50 EFAA O=C(Cc1ccsc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 219644217 PNQNGATXXUWTJG-SJORKVTESA-N 331.437 2.781 0 50 EFAA O=C(O)C1(O)CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 71764399 BNKNNRSNXCUUNB-UHFFFAOYSA-N 349.390 2.713 0 50 EFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3CN)c12 237878326 YUGFINMTIYMDRR-HNNXBMFYSA-N 349.438 2.507 0 50 EFAA Cc1nc[nH]c1-c1nccn1[C@@H](CCn1cncn1)c1ccccc1 71762783 RYPHGKHJHYGYNM-INIZCTEOSA-N 333.399 2.853 0 50 EFAA COC(=O)[C@H]1C[C@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 253433415 WPIPQWWGVTWTLF-IRXDYDNUSA-N 342.443 2.638 0 50 EFAA CCC1(CNC(=O)c2ccnnc2)CCN(Cc2ccccc2)CC1 253415265 RPNHASVRNJXHAF-UHFFFAOYSA-N 338.455 2.899 0 50 EFAA CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccoc2C2CC2)cc1 253431721 TYUINBFIEXWTRL-OAHLLOKOSA-N 344.411 2.711 0 50 EFAA CCOC(=O)N1CCC(Nc2cc(C(C)C)nc3ccnn23)CC1 72448347 KZWGNCFGRFVWSA-UHFFFAOYSA-N 331.420 2.886 0 50 EFAA CN(Cc1cc(Cl)cn1C)C(=O)[C@@]1(O)CCc2ccccc2C1 366948789 ZDPJAYNNEUPUIB-GOSISDBHSA-N 332.831 2.557 0 50 EFAA CN(C(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ncccc1F 131487591 FXLQGJAGUFAQHT-QGZVFWFLSA-N 343.383 2.813 0 50 EFAA CN(C)CCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 218278235 SWAYQQUFNGAJOJ-MRXNPFEDSA-N 333.863 2.993 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 175669264 PYSOJODNMMUOHE-INIZCTEOSA-N 339.439 2.630 0 50 EFAA COCc1c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)noc1C 77542217 JUYRSCACWXJCFV-UHFFFAOYSA-N 340.383 2.587 0 50 EFAA CC(C)(O)CCc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)c1 72458924 ARJZCUJLYQPDAC-XLIONFOSSA-N 331.456 2.625 0 50 EFAA CCS[C@H](C)C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 77287797 GKZBWINBFMMGPM-OAHLLOKOSA-N 334.485 2.616 0 50 EFAA CN1Cc2ccccc2[C@@H](NCc2cn(C)nc2-c2ccncc2)C1 371323012 KFWUTQRLLVCEDA-IBGZPJMESA-N 333.439 2.758 0 50 EFAA COc1ccc(C2(C(=O)NCCn3cccn3)CCCC2)cc1OC 180161418 HYCLZEZQYXZSCN-UHFFFAOYSA-N 343.427 2.529 0 50 EFAA Cc1ccccc1CC[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 72149805 CXZCLVDHPYTAEY-MRXNPFEDSA-N 347.484 2.762 0 50 EFAA O=C(c1cc(-c2ccco2)[nH]n1)N1CC[C@](O)(c2ccc(F)cc2)C1 375018126 ILCYOQGKKNJPIQ-GOSISDBHSA-N 341.342 2.543 0 50 EFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1csc2ccccc12 263466494 GHMZAGVMLLZXTQ-ADEWGFFLSA-N 337.422 2.528 0 50 EFAA COc1cc(C(=O)O)ccc1NC(=O)C[C@H](C)n1nc(C)cc1C 262901829 ITOZIPGXYZYNME-LBPRGKRZSA-N 331.372 2.797 0 50 EFAA O=C(CCc1ccccc1C(=O)O)N[C@H]1CCO[C@@H]1c1ccccc1 263575049 OHZVHHOGSMCKCT-PKOBYXMFSA-N 339.391 2.964 0 50 EFAA Cc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1=O 82097895 FHPZMWAVVBKFEW-MRXNPFEDSA-N 338.407 2.638 0 50 EFAA O=C(NCCSc1cn[nH]n1)c1ccc(Oc2ccccc2)o1 221400636 CIOXQAOMSCHYCH-UHFFFAOYSA-N 330.369 2.712 0 50 EFAA O=C(NCCCn1ccccc1=O)c1ccc2cccc(Cl)c2n1 426739806 QUXXQOLKMOYNJE-UHFFFAOYSA-N 341.798 2.870 0 50 EFAA Cc1nncn1CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1506414287 XMHKWDHJZBGSKB-UHFFFAOYSA-N 341.503 2.702 0 50 EFAA O=C(O)[C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccc2c(c1)OCO2 92003274 NZJFBFOYNCPAJI-UONOGXRCSA-N 331.393 2.777 0 50 EFAA Cc1noc(C)c1CN(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O 97632181 JXUSLEFGQPJIIY-UHFFFAOYSA-N 340.427 2.721 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCOc2ccccc2C1 97619056 JHCQHNJCDZBTME-MRXNPFEDSA-N 327.428 2.717 0 50 EFAA CCCCn1ccnc1[C@H]1CCCN(c2nccc(N(C)C)n2)C1 95370615 KMDPXXKUJZOHMV-HNNXBMFYSA-N 328.464 2.923 0 50 EFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1 237636198 CVNPSOAQVCOLSG-GOEBONIOSA-N 330.453 2.854 0 50 EFAA Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 91620696 CCTLZDNBNVPAMP-FUHWJXTLSA-N 349.434 2.767 0 50 EFAA CCCn1ncc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)c1C 91859169 FSBQCFAIISNMBC-SFHVURJKSA-N 342.443 2.582 0 50 EFAA Cc1cnc(CNC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cn1 95526740 QRHTYAVITKTCRT-HNNXBMFYSA-N 342.399 2.665 0 50 EFAA O=C(c1ccsn1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 295776952 YUZQZADDXOUYPS-MRVPVSSYSA-N 330.335 2.905 0 50 EFAA CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C1CCSCC1 244701249 KCXWEMYKBMODQJ-GOSISDBHSA-N 348.512 2.632 0 50 EFAA Cc1nc(-n2cnnc2)ccc1C[C@@H]1CC(=O)N(c2ccccc2)C1 243901159 AYWKOYAEYDIWNI-OAHLLOKOSA-N 333.395 2.566 0 50 EFAA O=C(CN1CCC[C@@H](O)C1)NCc1cccc(Oc2ccccc2)c1 299791623 DVWMTNFKPKVBAL-QGZVFWFLSA-N 340.423 2.552 0 50 EFAA O=C(CN1CCC[C@H](O)C1)NCc1cccc(Oc2ccccc2)c1 299791619 DVWMTNFKPKVBAL-KRWDZBQOSA-N 340.423 2.552 0 50 EFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2ccsc2)c1 299793381 HLXBHXMFZVIOCJ-IRXDYDNUSA-N 330.453 2.864 0 50 EFAA CCOC(=O)[C@@H]1CCCN(Cc2cccc(OC3CCNCC3)c2)C1 299766631 DQXUKXJSHCKANF-QGZVFWFLSA-N 346.471 2.593 0 50 EFAA CN(C)c1ncnc2c1CCN(C(=O)c1scc3c1CCCC3)C2 299776122 KGHDIDXETKFICT-UHFFFAOYSA-N 342.468 2.681 0 50 EFAA CC(C)c1cc(CN(C)C(=O)[C@H](N)Cc2c[nH]c3ccccc23)on1 299801101 XXHLJSINMNKVAV-MRXNPFEDSA-N 340.427 2.808 0 50 EFAA C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)O 268938361 QNSLBHDAVIZKND-ADEWGFFLSA-N 345.317 2.868 0 50 EFAA Cc1cc(C)c(C)c(S(=O)(=O)NCCn2cnc(C)c2C)c1C 825262131 LCUHXLOOMCRQFI-UHFFFAOYSA-N 335.473 2.712 0 50 EFAA Cc1nc2ccc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2[nH]1 670462582 ISWUQTSPOGEKIB-QFBILLFUSA-N 340.471 2.795 0 50 EFAA CC1(C)COC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)O1 1875274434 QRRYSFRSSSQEFW-HUBLWGQQSA-N 335.366 2.762 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(CO)n2C)C1 1875276527 WXSGRHVBXZAYKO-TZMCWYRMSA-N 334.851 2.901 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCCC3)C[C@@H]2CO)c1 1875298396 ZETKOENLYXOMCH-QGZVFWFLSA-N 342.439 2.968 0 50 EFAA CCS[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)[C@]1(C)CCCS1 1875354149 BLCCOSUPDAUSBQ-IOASZLSFSA-N 344.546 2.521 0 50 EFAA CC(C)c1c(C(=O)N2Cc3ccccc3[C@@H](n3cccn3)C2)cnn1C 1875314119 IHPCAJVNQSXKKU-SFHVURJKSA-N 349.438 2.985 0 50 EFAA COc1ccc2c(c1)c(C(=O)NC13CC(CO)(C1)C3)c(C)n2C1CC1 1875311989 FNMLDATVUKCIEG-UHFFFAOYSA-N 340.423 2.938 0 50 EFAA Cc1ccc([C@H](O)CNC(=O)C2(N3CCCC3)CCCCC2)cc1 952867109 IVDZDCYHSQRTNR-GOSISDBHSA-N 330.472 2.943 0 50 EFAA CC(=O)NC[C@@H]1CCCN(c2cc(Nc3ccccc3)nc(C)n2)C1 892083844 KWLPQKLWXGIUEB-INIZCTEOSA-N 339.443 2.881 0 50 EFAA CCc1noc(COC2CN(c3nc4c(C)cccc4s3)C2)n1 894338976 WHIPDOVNJHWUCQ-UHFFFAOYSA-N 330.413 2.956 0 50 EFAA Cn1cc(CNCCN=[S@](=O)(c2ccccc2)C(F)(F)F)cn1 1775998155 ABQGIMJTHMSUCH-QHCPKHFHSA-N 346.378 2.557 0 50 EFAA O=C(NCCc1cn[nH]c1)N1CC[C@@H]1c1cccc(Br)c1 1775986389 LJEAHZRVDVIIRR-CQSZACIVSA-N 349.232 2.871 0 50 EFAA CC(C)[C@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1NC(=O)N(C)C 1565512575 CIJPTDWCEZLPKR-YPMHNXCESA-N 344.381 2.832 0 50 EFAA CCc1nnc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc1CC 277112684 YFRAMBLXVFGDPK-BZNIZROVSA-N 334.370 2.587 0 50 EFAA CCCOc1ccccc1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 186855860 PDLQBWMSYKFDPJ-ZDUSSCGKSA-N 337.441 2.629 0 50 EFAA COCCCCCNC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 408524116 QKHWSLYUGKSCRY-AWEZNQCLSA-N 337.468 2.981 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@@H]1C[C@H]1c1ccco1)[C@@H]3C2 221355469 RXANDQJBEIHWCY-VTRIPGNTSA-N 349.452 2.750 0 50 EFAA O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2nnn[nH]2)C1 222015579 QEBQFNJYAFHQQG-OUAUKWLOSA-N 349.797 2.502 0 50 EFAA C[C@H](C(=O)N(C)C)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 222264078 ZPTICMZKOFBLGA-BXUZGUMPSA-N 330.350 2.555 0 50 EFAA COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(C(N)=O)cc1 279143914 XULCVUXRMIHWMJ-ROUUACIJSA-N 338.407 2.664 0 50 EFAA CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H]2CC(c3ccncc3)=NO2)CCO1 170611286 OYSATSBMVGDPBW-NJAFHUGGSA-N 345.443 2.675 0 50 EFAA CO[C@@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@@H]1C 170603480 QLKOMZYQYMRPKH-GOEBONIOSA-N 343.427 2.943 0 50 EFAA CCOCC[C@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1 225530165 SAJCFSUEMFGLOG-ROUUACIJSA-N 333.428 2.603 0 50 EFAA O=S(=O)(c1ccco1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 188711421 NTDBPSGXEBOCOB-MRXNPFEDSA-N 339.388 2.553 0 50 EFAA CCc1nc(C2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n[nH]1 190703826 XUUCUHBQOZNQOH-UHFFFAOYSA-N 341.459 2.802 0 50 EFAA CC1(C)C[C@@H](NC(=O)Cc2ccccc2C(N)=O)c2ccccc2O1 192056872 RADSTJXHPLTYFK-MRXNPFEDSA-N 338.407 2.747 0 50 EFAA C[C@H](CCc1ccc(O)cc1)N[C@H]1CCCN(c2cnn(C)c2)C1 195566257 DAMFBBBDDJADGM-WBVHZDCISA-N 328.460 2.705 0 50 EFAA CNC(=O)Cc1noc([C@@H](C)Oc2ccc(C(F)(F)F)cc2)n1 195572256 RIILDHMZKODHKV-MRVPVSSYSA-N 329.278 2.517 0 50 EFAA Cn1cc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c(-c2ccccn2)n1 675603414 PDNNVGVRALRQPH-UHFFFAOYSA-N 334.339 2.718 0 50 EFAA COc1ccc2c(c1)[C@@H](C(=O)NCc1nn(C)c3ccccc13)CC2 683333024 AVMFYRMDXSCYDD-HNNXBMFYSA-N 335.407 2.928 0 50 EFAA CC(C)Cc1cc(C(=O)NC2(c3cc(F)cc(F)c3)CC2)nc(N)n1 1506402821 KMURRYSBNRPXCL-UHFFFAOYSA-N 346.381 2.955 0 50 EFAA Cc1ccc(N2CCC(NC[C@@H](O)c3ccc(O)cc3)CC2)cc1 1506418949 VMAXVLTYYWBZTL-HXUWFJFHSA-N 326.440 2.993 0 50 EFAA COCCN(CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccncc1 1506419536 RXONDEBIFIOZOL-INIZCTEOSA-N 339.439 2.508 0 50 EFAA Cc1nc2ncccn2c1C(=O)Nc1nnc(SC(C)C)s1 1506421636 SJTIRQOSFHWHTJ-UHFFFAOYSA-N 334.430 2.642 0 50 EFAA CCCN1C[C@H](Nc2cc(Sc3cccs3)nc(N)n2)CC1=O 1529152213 PZUYCTLPUPMZON-SNVBAGLBSA-N 349.485 2.694 0 50 EFAA CC(C)(C)c1ccc(C(=O)CCCN2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1 1704305935 XSXSRHCXLHAINL-FUHWJXTLSA-N 347.455 2.714 0 50 EFAA C[C@H](C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)c1ccc(O)cc1 1772818339 QNMMYPJOLLYOHJ-AWEZNQCLSA-N 340.423 2.601 0 50 EFAA Cc1nc(N2CCCN(C(=O)c3c(C)noc3C)CC2)sc1C 1772809131 NDZWJCZONSGBDA-UHFFFAOYSA-N 334.445 2.717 0 50 EFAA CC1=CC2(CCN(c3ncc(F)c(N4CCCC4)n3)CC2)OCC1 1772704695 KPYKBICXMLMJMT-UHFFFAOYSA-N 332.423 2.922 0 50 EFAA C[C@H](Oc1ccccc1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1 11774550 GUEKREQQZJAGGR-HNNXBMFYSA-N 344.455 2.751 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2ccccc2)[nH]n1 11935548 FRAFWPIZVPOISW-INIZCTEOSA-N 329.400 2.630 0 50 EFAA CCOC(=O)C1CCN(C(=O)CCCOc2ccc(C)cc2)CC1 14401167 VHVWJEZLUJIXKW-UHFFFAOYSA-N 333.428 2.956 0 50 EFAA COc1cc(OC)c(CN2CCC[C@@H](CO)C2)cc1Br 16513134 AIUVUOLDKDDJCD-LLVKDONJSA-N 344.249 2.671 0 50 EFAA C[C@@H]1CCc2sc3ncnc(NCCN4CCOCC4)c3c2C1 19682047 OVNODESDYGDNIQ-GFCCVEGCSA-N 332.473 2.560 0 50 EFAA Cc1ccc(OCC(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 19790226 ZGQBEUIPEJRIMW-GOSISDBHSA-N 328.456 2.874 0 50 EFAA O=C(NCc1ccc(Cl)c(Cl)c1)N1CC(F)(F)C[C@H]1CO 666540607 VQLZAKGUHSEYJV-VIFPVBQESA-N 339.169 2.905 0 50 EFAA CCCc1cnc(-c2cc(C(=O)O)c(OC)c(OC)c2OC)nc1 1875248425 PGAKCLZUIJMCLJ-UHFFFAOYSA-N 332.356 2.820 0 50 EFAA C[S@@](=O)Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1Cl 115485512 QNOVRNGZKJKDKD-QHCPKHFHSA-N 348.815 2.742 0 50 EFAA C[C@H]1CCCC[C@H]1NC(=O)CCOc1ccc(S(C)(=O)=O)cc1 125330388 MBUKNEYXBORROP-XJKSGUPXSA-N 339.457 2.554 0 50 EFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 237644539 DLVSRZMWJITOQY-GOSISDBHSA-N 328.368 2.597 0 50 EFAA Fc1cccc(-c2cnnc(N3CCN(C4CCCC4)CC3)n2)c1 12443399 SSBXAVAOOWRUIU-UHFFFAOYSA-N 327.407 2.742 0 50 EFAA C[C@@H]1n2c(nc3ccccc32)S(=O)(=O)[C@H](c2ccccc2)[C@]1(C)O 245257465 ZXQNSWFMHICJGF-BJOOFOGMSA-N 342.420 2.877 0 50 EFAA O=C1CCCN1[C@H]1CCCC[C@H]1c1nc(-c2cnn(CCF)c2)no1 901997681 BGLWONKREUIIKI-KGLIPLIRSA-N 347.394 2.551 0 50 EFAA Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C(C)(C)C(=O)O 911741656 NVGXFLACMTXNJB-OAHLLOKOSA-N 328.368 2.521 0 50 EFAA C[C@H]1CN(C(=O)C[C@@H]2CC=CCC2)CCN1C(=O)c1cscn1 822249084 AXYRGGHJSGPDJS-UONOGXRCSA-N 333.457 2.562 0 50 EFAA Nc1cc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)ccn1 839154557 HZCCCAJUODIMRS-GOSISDBHSA-N 333.382 2.888 0 50 EFAA C[C@@H](C(=O)Nc1ccc2nc(CN(C)C)[nH]c2c1)c1ncccc1F 2325782045 QXDYUBMUOFTCDN-LLVKDONJSA-N 341.390 2.901 0 50 EFAA COc1ccc2sc(-c3nccc(=NC4CCNCC4)[nH]3)cc2c1 2325796867 YEMFZFRBCVOCQE-UHFFFAOYSA-N 340.452 2.953 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC[C@H]4CCC(=O)N43)cc2)c1C 2325798141 QBLSRRDIZQIUSN-IRXDYDNUSA-N 338.411 2.581 0 50 EFAA C[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 80194 SCZGWSGBGMCXHI-LBPRGKRZSA-N 336.388 2.619 0 50 EFAA C[C@@H]1CCc2c(sc3ncn(CC(=O)N4CCCCC4)c(=O)c23)C1 132352 CZRJQBWNGFCCJR-GFCCVEGCSA-N 345.468 2.595 0 50 EFAA C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 1812712 DIOSKFFIAWJJRO-AWEZNQCLSA-N 335.407 2.704 0 50 EFAA biogenic COCc1cc(CNc2nccc(-c3ccc(N(C)C)cc3)n2)[nH]n1 2356148460 YNVXESVBMICXKW-UHFFFAOYSA-N 338.415 2.691 0 50 EFAA O=C(Cc1cccs1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 4731657 LUWGKEWEQXRCLA-CYBMUJFWSA-N 344.436 2.838 0 50 EFAA Cc1ccc([C@H](CC(=O)NCCOCCO)c2ccccc2)cc1 55309198 OWKAFFZWSXNQOX-LJQANCHMSA-N 327.424 2.642 0 50 EFAA Cn1nnc2c(C(=O)NCC3(Cc4ccccc4)CCC3)ccnc21 283105503 XQGQKPYKTQCIFV-UHFFFAOYSA-N 335.411 2.506 0 50 EFAA CN(C)c1ccc([S@@](C)(=O)=NC(=O)CCC2CCOCC2)cc1 864094257 NCDDCUKHNMKJDM-HSZRJFAPSA-N 338.473 2.943 0 50 EFAA O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCN2CCCC[C@H]2C1 247949098 RWEQVNSVHYQMPX-IPMKNSEASA-N 328.456 2.851 0 50 EFAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 229430277 PQPGWRFUCMOPLP-DDUZABMNSA-N 341.411 2.584 0 50 EFAA O=C(c1ccc(NC2CCC2)nc1)N1CCC(Cn2cccn2)CC1 20210946 JGSKTRGMQNTXJP-UHFFFAOYSA-N 339.443 2.795 0 50 EFAA Cc1csc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)n1 328647556 UAVNKWGKWCTJJC-CQSZACIVSA-N 335.477 2.629 0 50 EFAA CC(C)(CNC(=O)c1noc2c1CCCC2)c1ccc2c(c1)OCO2 328945847 AZHCYRWRYQSKBW-UHFFFAOYSA-N 342.395 2.990 0 50 EFAA Cc1cc(C[C@H](C)NC(=O)c2c[nH]nc2-c2cccc(F)c2)[nH]n1 67691653 SGGLEJBLXKKSFJ-JTQLQIEISA-N 327.363 2.608 0 50 EFAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ncnc(Cl)c2NC)C1 124875025 WEVODQYVSHJWOK-NWDGAFQWSA-N 339.871 2.693 0 50 EFAA OCc1nnc(SCc2ccc3c(c2)OC(F)(F)O3)n1C1CC1 349833890 WIXNTKAOAUFLLZ-UHFFFAOYSA-N 341.339 2.719 0 50 EFAA CCOC(=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c1 284851798 PADNHUFODLCLEZ-SJORKVTESA-N 346.427 2.968 0 50 EFAA COc1ccc(C)cc1NC(=O)NC[C@@H]1CCN(C2CCOCC2)C1 67432387 SZMZYZTYTLXTTP-HNNXBMFYSA-N 347.459 2.626 0 50 EFAA C[C@@H]1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C[C@H]1C(N)=O 285004608 YTOCZNHKLCNRKH-SJKOYZFVSA-N 336.391 2.708 0 50 EFAA CC(=O)NC1(C(=O)NCCc2c[nH]c3c(C)cccc23)CCCCC1 128621125 STRZCZKXMCRROY-UHFFFAOYSA-N 341.455 2.974 0 50 EFAA COCCN(C)c1ccc(CN[C@H](C)CN2CCCCCC2)cn1 241946699 UNGNJTBWQWYQDC-QGZVFWFLSA-N 334.508 2.518 0 50 EFAA CCN1C[C@@]2(CCCN(C(=O)c3cc(CC(C)C)no3)C2)CCC1=O 72476682 MHWIJTJYAMKPEO-LJQANCHMSA-N 347.459 2.738 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)c1 72424966 SDUAIMNVMKSFKY-CQSZACIVSA-N 341.411 2.604 0 50 EFAA CC[C@@H]1CN(Cc2ccccc2OCCCn2ccnc2)CCN1C 215813146 LEEFMSRCEPGAKH-LJQANCHMSA-N 342.487 2.878 0 50 EFAA C[C@@H]1[C@H](OC(=O)CSc2nnnn2C2CC2)C[C@H]2C[C@H]1C2(C)C 241564247 OSQBFZBYTLDBNI-XKAARJIMSA-N 336.461 2.714 0 50 EFAA COc1ccc2c(c1NCC(=O)Nc1ccc3c(c1)OCO3)CCC2 252478357 AKBNJBGRCOTUCA-UHFFFAOYSA-N 340.379 2.963 0 50 EFAA C[C@@H]1CCCN(C(=O)C2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)C1 241588469 PDLYWUNKMOUDEC-CDHQVMDDSA-N 342.483 2.615 0 50 EFAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 241644660 PSNOVEAQQIMCFU-HNNXBMFYSA-N 349.479 2.659 0 50 EFAA CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 252497875 FQGNUPPRNHQDTJ-OUAUKWLOSA-N 338.395 2.535 0 50 EFAA CC(C)c1[nH]nc(C(N)=O)c1NC(=O)c1cccc(C(F)(F)F)c1 457172661 QWFILJBUOYHXOT-UHFFFAOYSA-N 340.305 2.903 0 50 EFAA CCc1[nH]c2ccc(CNC(=O)C[C@H](C)N3CCOCC3)cc2c1C 71754159 XGJFGOSZHMFJEC-AWEZNQCLSA-N 343.471 2.766 0 50 EFAA Cc1cc(N(C)Cc2noc(C3CCC3)n2)n2nc(C)c(C)c2n1 72463802 OFJPHGWPLHRGCP-UHFFFAOYSA-N 326.404 2.941 0 50 EFAA Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC13CCS(=O)(=O)CC3)CCC2 253416563 SBLPPRBDJAJMGF-IRXDYDNUSA-N 347.480 2.704 0 50 EFAA Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCCN2C2CCOCC2)c1 253426467 GYVNJOMYDIYUGC-SFHVURJKSA-N 334.435 2.736 0 50 EFAA Cc1nc2ccccc2nc1S[C@H]1CCN(C2CCOCC2)C1=O 253419855 AYIJCTXJTHYBGD-INIZCTEOSA-N 343.452 2.810 0 50 EFAA CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCCN1CC1CC1 71764529 RNXZDZXDILAJMG-SFHVURJKSA-N 341.459 2.540 0 50 EFAA CCn1ncc(C(=O)N2CC[C@](O)(C3CC3)C2)c1-c1ccccc1 366885358 QYCQARGIBJRRFM-LJQANCHMSA-N 325.412 2.557 0 50 EFAA O=C(Cc1ccccc1O)N1CCC([C@H](O)Cc2ccccc2)CC1 77300953 MWFAFWBEAJWGEU-HXUWFJFHSA-N 339.435 2.777 0 50 EFAA CCCc1occc1C(=O)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 263076280 PKZMWJCEJHRJRV-INIZCTEOSA-N 329.352 2.723 0 50 EFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2OC)C1 246417277 RURWHMHDFJLFRP-USGALAMMSA-N 338.473 2.574 0 50 EFAA Cc1c(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cnn1C 13641695 KKAOFWREILTVKT-UHFFFAOYSA-N 340.427 2.938 0 50 EFAA Cc1ccccc1-c1noc(CN2CCC[C@@]3(CC2)CNC(=O)O3)n1 72137356 YVXJNHPWBYYPSL-GOSISDBHSA-N 342.399 2.510 0 50 EFAA Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1nc(C(=O)O)cs1 263139472 UBUJDSKICNKVJV-VHSXEESVSA-N 336.438 2.674 0 50 EFAA Cn1cc(C(=O)NCC2CCN(c3ncccn3)CC2)c2ccccc21 376554998 WQZYKFBWSYDMGF-UHFFFAOYSA-N 349.438 2.615 0 50 EFAA O=C(c1ccc(Cl)s1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 159157007 ACKGDDZKXCJUQP-WDEREUQCSA-N 341.816 2.959 0 50 EFAA O=C(NCCc1nc2ccccc2o1)[C@H](O)c1ccc(Cl)cc1 221337445 FUSIYAPVKHURAD-MRXNPFEDSA-N 330.771 2.874 0 50 EFAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(CC(=O)OC)c3n2)cn1 20603516 JZWYVZILOARISB-UHFFFAOYSA-N 349.341 2.734 0 50 EFAA Cc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1Cl 82106806 KXHWVUQZMSQUBT-UHFFFAOYSA-N 326.853 2.934 0 50 EFAA COc1ccccc1CCCNC(=O)N(C)[C@H](C)c1ccncn1 426562818 DHHNCMWYECLXGS-CQSZACIVSA-N 328.416 2.820 0 50 EFAA COC(=O)CCCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 82137664 WKVSIBYUNGUZGY-AWEZNQCLSA-N 343.427 2.687 0 50 EFAA CN(C(=O)Cc1ccon1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 331689866 WRDZCFBSVOEFRZ-HIFRSBDPSA-N 341.194 2.641 0 50 EFAA Cc1nc(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)c(C)o1 295236446 ASFOYTIBYPVJOV-JTQLQIEISA-N 325.409 2.715 0 50 EFAA COCC1(C(=O)N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)CCC1 91381950 CSWSUGAWHIIEOB-LJQANCHMSA-N 348.487 2.587 0 50 EFAA CCCn1cnnc1[C@@H](C)NCc1cc(=O)c2cc(C)ccc2[nH]1 91819503 XEWSYVXXMODATO-CYBMUJFWSA-N 325.416 2.689 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCCc1ccccc1)CC2 91860358 RQSAALFXTPTAEO-MSOLQXFVSA-N 331.456 2.788 0 50 EFAA CC(C)c1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95354217 RYNHSELCSRYNLM-QGZVFWFLSA-N 344.455 2.708 0 50 EFAA Cc1ccc(CN2CC(=O)N(C)c3ccccc3C2=O)c(F)c1F 95526587 POFXQJOLUSRGTI-UHFFFAOYSA-N 330.334 2.892 0 50 EFAA COCC[C@@]1(CO)CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 91586927 PTXPGZLVWJRNHZ-IBGZPJMESA-N 331.456 2.664 0 50 EFAA Cc1nc([C@@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)n[nH]1 268413224 CYZGKQMFHVLZFI-LLVKDONJSA-N 336.798 2.854 0 50 EFAA CCc1ccc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)s1 91755435 FWAXKAUSMVJNAM-ACJLOTCBSA-N 337.485 2.950 0 50 EFAA CN1CCCCC[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 97528038 ALIYJRUXUQUVSA-LJQANCHMSA-N 338.455 2.880 0 50 EFAA COCCOC1CCN(Cc2cc(Cl)c(OC)c(OC)c2)CC1 93339469 QLZMIGGBAVWVMT-UHFFFAOYSA-N 343.851 2.985 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(CCOc2ccc(F)cc2)C1 92098408 QKOVZUNQOYBDRS-SFHVURJKSA-N 339.407 2.798 0 50 EFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccncc1 244735054 NSIFPUZNRDDEDS-HHXXYDBFSA-N 333.391 2.872 0 50 EFAA O=C(CS(=O)(=O)C1CCCC1)N1CCC(Cc2ccccc2)CC1 298605701 PKTUZCAXUIKRBD-UHFFFAOYSA-N 349.496 2.825 0 50 EFAA O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCc2c(F)cccc21 183764822 WDOLGCNXIGXGDD-ZDUSSCGKSA-N 328.343 2.591 0 50 EFAA CC[C@H](C)[C@@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 252508383 XMKTWRFZWKBLCB-MEDUHNTESA-N 349.398 2.518 0 50 EFAA O=C1NC[C@@H](NCc2cccs2)n2nc(-c3ccc(F)cc3)cc21 263617028 LTBGXCRLOHMQJD-INIZCTEOSA-N 342.399 2.783 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cccc(-c3ncccn3)c2)n1 299764576 AYJURJYEBNWNCK-CQSZACIVSA-N 335.411 2.775 0 50 EFAA O=C([C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12)N1CCC(CCO)CC1 299777638 QRRRJXPFBBQSRZ-ZCNNSNEGSA-N 342.483 2.833 0 50 EFAA O=C(N[C@@H]1CCCN(C2CCCC2)C1)N1CC(c2ccccn2)C1 584888333 UZNQZEOFPGVEBZ-MRXNPFEDSA-N 328.460 2.597 0 50 EFAA Cc1noc(C)c1CCN1CCC[C@@H](c2nnc3ccccn23)C1 165987621 JUWPOKPFGZZUSL-OAHLLOKOSA-N 325.416 2.756 0 50 EFAA COc1ccc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)c(OC)n1 584902433 LNHFODCXGQWSDF-INIZCTEOSA-N 327.384 2.683 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccnc(C4CC4)c3)n[nH]c21 1875293303 LINMXESROKNBNO-MNOVXSKESA-N 326.400 2.634 0 50 EFAA C[C@]1(CS(=O)(=O)Nc2nocc2C2CC2)CC1(Cl)Cl 1875279796 DYCODXKARANZLI-SNVBAGLBSA-N 325.217 2.878 0 50 EFAA COC(=O)c1cc(OC[C@@H]2C[N@@]2CC2CC2)cc(C(F)(F)F)c1 1875385152 NJKXYYMBJXQYDB-RNODOKPDSA-N 329.318 2.965 0 50 EFAA C[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1cc(C(F)(F)F)n[nH]1 1875321029 RMPJYRCOEMGVBG-BYPYZUCNSA-N 341.215 2.661 0 50 EFAA CCn1c(O)nc2ccc(C(=O)N[C@@H](c3cnn(C)c3)C(C)C)cc21 885416602 GLHAGVPTPJWUGA-MRXNPFEDSA-N 341.415 2.622 0 50 EFAA Cc1c(Cl)ccc2c(CC(=O)N3CCn4cnnc4C3)coc12 888926439 MEWUODMALAAUGV-UHFFFAOYSA-N 330.775 2.571 0 50 EFAA CS(C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1 891013649 BEJRLBZEEGMEFL-YMILTQATSA-N 346.452 2.785 0 50 EFAA COCc1nc(O)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 891919556 UTCWDOTWFOIKNK-ZDUSSCGKSA-N 335.791 2.560 0 50 EFAA O=S(=O)(CC1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 167226612 TWAKSVGDBRYWPI-XHSDSOJGSA-N 327.490 2.834 0 50 EFAA CC(C)c1ncc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)s1 276339671 QJQOPSSBMANRTG-AAEUAGOBSA-N 334.445 2.650 0 50 EFAA Cc1csc([C@@H]2CN(c3ncc(Br)cn3)CCO2)n1 169982597 JVESZJQIDVWXDI-JTQLQIEISA-N 341.234 2.582 0 50 EFAA COc1ccc(C)nc1NC(=O)Nc1ccn(CC(F)(F)F)n1 170612226 VSWZQISFJLYMTE-UHFFFAOYSA-N 329.282 2.801 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2ccccc2Cl)C1 170904412 PHTUDCHJCHJQAG-INIZCTEOSA-N 333.819 2.823 0 50 EFAA O=C(Cc1cccc(OC(F)(F)F)c1)N1CCCc2n[nH]cc21 280082116 KTGKZDIVOVRZIR-UHFFFAOYSA-N 325.290 2.830 0 50 EFAA CCC(CC)n1ncc(C(=O)N(CCO)C2CCSCC2)c1C 408517779 TWLZMWWECSKNDZ-UHFFFAOYSA-N 339.505 2.883 0 50 EFAA CN(C)[C@H]1CCOc2c(NCc3cc4c(cn3)OCCO4)cccc21 639116149 SBMCJAWBQRXSDF-INIZCTEOSA-N 341.411 2.850 0 50 EFAA CC(=O)NC[C@H]1CCCCN1Cc1ccc2c(c1)OCCCCO2 639369771 IBKOOCRUDBAZQX-QGZVFWFLSA-N 332.444 2.729 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225682926 SEYXEXNEEOARGH-CXAGYDPISA-N 325.343 2.650 0 50 EFAA O=c1[nH]c2ccccc2cc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225650917 WJHZGJSCWNQLKM-PKOBYXMFSA-N 338.382 2.975 0 50 EFAA C[C@@H](Nc1cnn(CC(F)F)c1)c1nnnn1C1CCCCC1 189883191 UBKQCCXLPKOFCZ-SNVBAGLBSA-N 325.367 2.813 0 50 EFAA O=S(=O)(N[C@@H]1CCCOCC1)c1ccc(CC(F)(F)F)cc1 190111713 BADWKHYZBKEEQC-GFCCVEGCSA-N 337.363 2.639 0 50 EFAA Cn1cnc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 191270798 BIGYSPHKGQQHKD-NSHDSACASA-N 339.226 2.736 0 50 EFAA CCO[C@@H]1C[C@](NC(=O)c2csc(C(C)C)n2)(C(=O)O)C1(C)C 193031512 FVABNKPPRUTPDE-BZNIZROVSA-N 340.445 2.655 0 50 EFAA Cc1cc2n(C[C@H](O)Cc3ccccc3)c(=O)c3ccccc3n2n1 193180891 ILACYMJLWWQIMH-MRXNPFEDSA-N 333.391 2.561 0 50 EFAA c1ccc([C@@H]2CN(C3CCN(Cc4ccco4)CC3)CCN2)cc1 1506429171 VYLDMAXQGXXHHC-FQEVSTJZSA-N 325.456 2.891 0 50 EFAA CCN(Cc1nc(C(C)C)no1)C(=O)Cc1n[nH]c2ccccc12 1506396051 GMGDOTJLBHKYLJ-UHFFFAOYSA-N 327.388 2.661 0 50 EFAA O[C@@H]1CCCN(c2ccnc(NCc3csc4c3CCCC4)n2)C1 1704302621 QPGJJIFRGUTRMH-CQSZACIVSA-N 344.484 2.990 0 50 EFAA O=C(CN1CCC(c2ccnc(O)c2)CC1)NCC1CCCCC1 1772815022 HAYLGFKXOHEUSX-UHFFFAOYSA-N 331.460 2.663 0 50 EFAA CN(CC1(N2CCCCC2)CCCCC1)c1nnc(C(C)(C)N)o1 1772805878 UVPZFFRQCDFPKT-UHFFFAOYSA-N 335.496 2.888 0 50 EFAA CCN(CC)C(=O)CC[C@]1(Cc2cccc(OC)c2)CCC(=O)N1 11880160 QERYGEYFONSRPN-IBGZPJMESA-N 332.444 2.535 0 50 EFAA COC[C@@H]1CCCCN1C(=O)c1cc(COc2ccccc2F)[nH]n1 11935907 INTGBATVLFBEDD-AWEZNQCLSA-N 347.390 2.769 0 50 EFAA O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCC2)CC1)C1CC1 12431991 KVXXGPPNIABKIL-UHFFFAOYSA-N 328.416 2.505 0 50 EFAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12864435 OXGZEYZXWYFFBH-UHFFFAOYSA-N 327.359 2.712 0 50 EFAA CCOC(=O)Cn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 13424457 YYIRTWACOZPZMA-ZSOIEALJSA-N 344.392 2.871 0 50 EFAA CCCc1noc(-c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)n1 169758388 CSAWNXYZVHWJRQ-AWEZNQCLSA-N 341.371 2.561 0 50 EFAA O[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1Nc1cc(-c2ccccc2)ncn1 1857532911 KUOCIQMBRHORKX-WBAXXEDZSA-N 335.411 2.592 0 50 EFAA COc1ccc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c2ccccc12 1857669507 DSBXGYUTYDJVMP-MGPUTAFESA-N 341.407 2.772 0 50 EFAA Cc1c(C(=O)NCc2c(F)cccc2F)sc2ncn(C)c(=O)c12 225476615 SAAOQTBTONDBSG-UHFFFAOYSA-N 349.362 2.512 0 50 EFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc3ccccc3s2)n1 328615029 XNBPRVFLQMUIJR-NWDGAFQWSA-N 329.381 2.541 0 50 EFAA C[C@@]1(c2nc(Cc3ccc(C(F)(F)F)cc3)no2)CCNC(=O)C1 904149992 KIGAWPUGUZHVOL-OAHLLOKOSA-N 339.317 2.847 0 50 EFAA COCCn1cc(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2(C)C)cn1 2325751561 LTUGIBFNMFWXHA-KBPBESRZSA-N 338.452 2.633 0 50 EFAA C[C@@H]1CCCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@@H]1CCCN 2325766216 CENBNUBPUNXHOG-NWGLXNPWSA-N 337.508 2.741 0 50 EFAA O=C(c1cc2nc[nH]c2cc1F)N1CCCN[C@H](c2ccccc2)C1 2325783260 IQIKEMNJOILLMM-SFHVURJKSA-N 338.386 2.879 0 50 EFAA C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2CCc3cc(C(=O)O)ccc3C2)C1 2325880199 YJNXPGJZKIWEPY-BVGQSLNGSA-N 345.439 2.954 0 50 EFAA COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2 265453 QAUAKSUMGRFCDI-UHFFFAOYSA-N 326.352 2.823 0 50 EFAA CCOc1cc(C(=O)N[C@H](C)COC)cc(OCC)c1OCC 456754 ZLXUKKZYILPGRB-GFCCVEGCSA-N 325.405 2.647 0 50 EFAA COC(=O)COc1ccc(NC(=O)COc2cccc(C)c2)cc1 469893 PZBBURVGDLMXEH-UHFFFAOYSA-N 329.352 2.564 0 50 EFAA CCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 1891233 XBUNGFQXMKMPCG-UHFFFAOYSA-N 338.454 2.618 0 50 EFAA C[C@@H](CN1CCc2nc(C3CCOCC3)nn2CC1)c1ccccc1 2356135800 UDKULRUDHYQWHX-INIZCTEOSA-N 340.471 2.834 0 50 EFAA O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 2494649 GOKVWJDHRDJHBV-UHFFFAOYSA-N 337.206 2.926 0 50 EFAA Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccccc2)cc1 2651383 GDRUIFHIQPXSMZ-UHFFFAOYSA-N 346.404 2.585 0 50 EFAA c1ccc(C2(c3csc(=NC[C@H]4CCCO4)[nH]3)CCNCC2)cc1 2356169286 YLGBROVOODIVGB-MRXNPFEDSA-N 343.496 2.825 0 50 EFAA Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1Cl 4977036 FNSYMWOWCVYTOI-UHFFFAOYSA-N 339.800 2.928 0 50 EFAA CCN(CCN1CCCCCC1)C(=O)c1nc(O)c2ccccc2n1 55108793 PVUSJNJGGOBBTN-UHFFFAOYSA-N 342.443 2.674 0 50 EFAA CCCc1nnsc1C(=O)N1Cc2cnc(CC(C)C)nc2C1 67676266 WWBXMKGYSDAUOJ-UHFFFAOYSA-N 331.445 2.635 0 50 EFAA Cc1ccccc1NC(=O)CC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102789501 KZUXNDQOCSLRHI-SNEKZUEESA-N 342.439 2.524 0 50 EFAA CC(C)Cc1noc(CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)n1 118607433 BGUSZBDVAABGTO-CYBMUJFWSA-N 345.374 2.525 0 50 EFAA Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NS(C)(=O)=O 10314687 XAGDQXMIUCUKGQ-UHFFFAOYSA-N 340.351 2.897 0 50 EFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(C)nc2c(C)cc(C)cc12 65534541 BZXQKDJBVAOSGB-CQSZACIVSA-N 327.428 2.757 0 50 EFAA CCOc1cccc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)n1 328633171 LUSRGNIMEKIKGO-CJNGLKHVSA-N 346.431 2.565 0 50 EFAA Cc1ccoc1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 284820561 LTGAODLVUAHXKU-IRXDYDNUSA-N 328.412 2.732 0 50 EFAA CN1[C@H]2CC[C@H]1CN(C(=O)NC1CCN(c3ccccc3)CC1)CC2 239637002 BIESWEWSTBXBAU-HKUYNNGSSA-N 342.487 2.534 0 50 EFAA O=C(CCc1nnc(CCCc2ccccc2)o1)NCC(F)(F)F 11813146 IPKNZBYIRIQSBS-UHFFFAOYSA-N 341.333 2.856 0 50 EFAA CC(C)Nc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cn1 67783688 VFUWZVWGNHDFCL-OAHLLOKOSA-N 341.411 2.814 0 50 EFAA COc1cc2c(cc1OC)CN(Cc1ccc3c(c1)OCO3)CC2 201150 DVXSMZNGDSFVMT-UHFFFAOYSA-N 327.380 2.991 0 50 EFAA biogenic O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(-n2cccn2)c1 77488106 RNVDUBNJGKNPKM-HNNXBMFYSA-N 341.436 2.515 0 50 EFAA Cc1nc2ccnn2cc1C(=O)Nc1ccc(OCC(C)C)nc1 449892258 XXMKCJPFRFDWFA-UHFFFAOYSA-N 325.372 2.720 0 50 EFAA CC(C)N1C[C@@H](NC(=O)c2ccn(Cc3ccccc3)c2)[C@H](C)C1 359009037 LFLDPZWRRADISC-VQIMIIECSA-N 325.456 2.995 0 50 EFAA Cn1c(CNc2nc(C3CC3)nc3c2CCNCC3)nc2ccccc21 72447956 OWONBCCOCNOZAX-UHFFFAOYSA-N 348.454 2.541 0 50 EFAA COC(=O)c1cncnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 253415475 GJTOKBOXNIMNGN-HOCLYGCPSA-N 327.384 2.843 0 50 EFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccccc1-n1cccn1 257365809 PDBUBBONZCBYMN-RBUKOAKNSA-N 338.455 2.961 0 50 EFAA Cc1cc(C)nc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 77285122 VPXURYVUMAJOBN-UHFFFAOYSA-N 335.411 2.826 0 50 EFAA COC[C@@H]1CN(C(=O)c2c(OC)cnc3ccccc23)CC(C)(C)O1 285519356 OHNBDKIHDXQPEZ-ZDUSSCGKSA-N 344.411 2.509 0 50 EFAA Cn1ccc([C@@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)n1 77525236 HWSSLDWELNCVHF-SFHVURJKSA-N 335.411 2.973 0 50 EFAA O=C(NCc1cccnc1)N1Cc2ccccc2[C@H](n2cccn2)C1 363232836 YGXJXEGWXDXBDT-GOSISDBHSA-N 333.395 2.593 0 50 EFAA Cc1cc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)n[nH]1 72146564 AKUQOPAKCLSOIG-UHFFFAOYSA-N 347.426 2.792 0 50 EFAA C[C@@H]1CN2CCC[C@H]2CN1Cc1cccc(C(=O)N2CCCCC2)c1 246814422 CGEDLKAGOVNLSQ-XLIONFOSSA-N 341.499 2.981 0 50 EFAA C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccc3c1OCCC3)C[C@@H](C)O2 366075400 VYUDWJGYGOHATK-BIENJYKASA-N 346.427 2.812 0 50 EFAA CC1(C)CN(c2nc(C(F)(F)F)ns2)C[C@]2(CCCOC2)O1 367461660 ADOPIDYEIBINLK-LBPRGKRZSA-N 337.367 2.721 0 50 EFAA CNc1cc(N2CCC[C@@H]2CNc2ncnc3sccc23)ncn1 261422711 AOVMMPMWAINVKO-LLVKDONJSA-N 341.444 2.604 0 50 EFAA Cc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1F 13325035 QENWMLOVIRXMKA-UHFFFAOYSA-N 328.391 2.879 0 50 EFAA CN1CCc2nc(-c3ccncc3)nc(N(C)Cc3ccoc3)c2CC1 72421174 SBYGXFLRTLCGOS-UHFFFAOYSA-N 349.438 2.798 0 50 EFAA CC1=CCCN(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 369172282 AJBYXCUCIBIVGR-FUHWJXTLSA-N 328.460 2.654 0 50 EFAA C[C@@H](Nc1ncnc2c1CN(C)CC2)c1ccccc1-n1cccn1 371948186 OEPRPXUWIKZSHR-CQSZACIVSA-N 334.427 2.823 0 50 EFAA CN1CC[C@@H](N(C)CCC(=O)NCc2ccc3sccc3c2)C1 426647895 HSHVWTRTKCCKQB-MRXNPFEDSA-N 331.485 2.544 0 50 EFAA Cc1[nH]c2ccccc2c1CCNC(=O)N(C)CCn1ccnc1C 426563279 LGAXCOIKNLSRKD-UHFFFAOYSA-N 339.443 2.865 0 50 EFAA Cn1c(CCN)nnc1SCc1ccc(C(F)(F)F)c(F)c1 426545098 POYUFFUHNDWQPK-UHFFFAOYSA-N 334.342 2.767 0 50 EFAA CSc1ncc(CNC(=O)c2cc(-c3cccs3)nn2C)n1C 223353938 BXFKQITXMGANEM-UHFFFAOYSA-N 347.469 2.534 0 50 EFAA CCCn1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c(C)n1 91656888 RXYAJSIPRJSFAO-OAHLLOKOSA-N 344.434 2.997 0 50 EFAA COc1cccc2c1OC[C@@H](CNC1CSCCSC1)C2 95392235 IPCJHXIDRZZFEA-GFCCVEGCSA-N 325.499 2.685 0 50 EFAA Cn1ccnc1C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 97696399 LYBWMGDESSIFJA-UHFFFAOYSA-N 335.411 2.830 0 50 EFAA CC[C@@]1(CO)CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 91663484 XSVWAKODROUTKY-OAQYLSRUSA-N 344.499 2.877 0 50 EFAA CN(C)[C@@H](C(=O)NCCOCc1ccccc1)c1ccccc1F 91943353 WSBBZQDXOBHHNG-GOSISDBHSA-N 330.403 2.761 0 50 EFAA O[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C(F)(F)F)cc1F)CC2 91505298 BRGIXETXNAPEAG-OKILXGFUSA-N 333.325 2.552 0 50 EFAA Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)n1 95529776 IWIKEWNTMMJVJG-SFHVURJKSA-N 340.471 2.745 0 50 EFAA Cc1cc(C)c2c(N[C@@H]3CCOC4(CCOCC4)C3)ncnc2n1 95369030 LGMFXJQTFRZJAN-CQSZACIVSA-N 328.416 2.782 0 50 EFAA CCN1CCC[C@](C)(C(=O)NCCc2c[nH]c3ccc(OC)cc23)C1 92037343 SKUBNTFPHWPWMU-FQEVSTJZSA-N 343.471 2.957 0 50 EFAA CCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C 91746725 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345.390 2.502 0 50 EFAA Cn1cc(CCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cn1 828075387 NONLIYPZOXPKIS-HNNXBMFYSA-N 329.400 2.549 0 50 EFAA CCCc1ccc(OCCNC(=O)[C@@H]2CCCCN2C(C)=O)cc1 823010365 SJABBOOWQQSULZ-SFHVURJKSA-N 332.444 2.535 0 50 EFAA C[C@@H](Oc1ccc2c(c1)OCO2)c1nc(CC2CCN(C)CC2)no1 67818400 YMRKZFQIRFUCNL-GFCCVEGCSA-N 345.399 2.823 0 50 EFAA CCO[C@@H]1C[C@@H](n2nnnc2N2CC[C@H](SC)C2)C12CCCC2 952878906 KGYZMUDBOHKKIR-BFHYXJOUSA-N 337.493 2.525 0 50 EFAA Cc1cccc(F)c1C(=O)N1CC[C@@H](N(C)Cc2ncoc2C)C1 1875278972 VFCHUAFHNGJQON-CQSZACIVSA-N 331.391 2.777 0 50 EFAA Oc1ncccc1CNc1ccc(Cl)c(CN2CCOCC2)c1 1875284789 MNDNRHKCGKXCEO-UHFFFAOYSA-N 333.819 2.885 0 50 EFAA C[C@@H](NC(=O)c1cc2n(n1)C[C@@H](F)C2)c1ccc(C(F)(F)F)nc1 1875295757 PQADKBOWDSBICQ-SCZZXKLOSA-N 342.296 2.682 0 50 EFAA O=C(Cn1c(-c2ccccc2Cl)noc1=O)Nc1ccc(O)cc1 1875391663 QTEXNCOSKZPNMJ-UHFFFAOYSA-N 345.742 2.501 0 50 EFAA Cc1c(NC(=O)[C@H](F)C(F)(F)F)c(=O)n(C2CCCCC2)n1C 880517131 DUBMTPAZJNGWTC-NSHDSACASA-N 337.317 2.839 0 50 EFAA CN(C)c1cccnc1C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 885661463 CPFYWLIUFMRMTB-HNNXBMFYSA-N 341.411 2.994 0 50 EFAA CCN1C(=O)C[C@@H](CNC2Cc3ccccc3C2)[C@@H]1c1cccnc1 886035971 WIBHIXWYKXZIDK-RXVVDRJESA-N 335.451 2.748 0 50 EFAA O=C(N[C@@H]1CC[C@H](OC(F)F)C1)N1CCOc2cc(F)ccc2C1 888099938 GAQJYAYARIOJMO-OLZOCXBDSA-N 344.333 2.890 0 50 EFAA COCCOc1cccc(C(=O)N(C)c2ccc(C(=O)OC)cc2)c1 1776000010 SEHXKWXUVBWHEP-UHFFFAOYSA-N 343.379 2.775 0 50 EFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1nn(C)cc1OC 1363695158 WYBJXZFETJSCAO-KBPBESRZSA-N 331.416 2.772 0 50 EFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2 75977087 NNGWOMNMLCYCRE-UXHICEINSA-N 348.446 2.975 0 50 EFAA CCc1nc([C@@H]2C[C@@H](O)CN2Cc2cccc(Cl)c2Cl)n[nH]1 1365344094 QCUGNPWOLNUTGM-PWSUYJOCSA-N 341.242 2.982 0 50 EFAA Cc1cc(N)n(-c2cc(N[C@H]3CCOC4(CCCCC4)C3)ncn2)n1 170045972 DMMLDNSXTJNLPH-AWEZNQCLSA-N 342.447 2.847 0 50 EFAA CCCCc1nnc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)o1 278423118 RVBSFBQRCSGZSG-UHFFFAOYSA-N 345.808 2.875 0 50 EFAA CC(C)Oc1ccc(CCNC(=O)[C@H](CN)c2ccccc2)cc1 170677407 FACJWMZRZHCMRA-LJQANCHMSA-N 326.440 2.875 0 50 EFAA O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CCCC[C@H]2O)CC1 186786518 LYPMLMLPSGFJGG-IAGOWNOFSA-N 336.863 2.838 0 50 EFAA CS[C@@H](C)CNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 187681049 LYZVIECNJNOOLZ-NSHDSACASA-N 344.427 2.709 0 50 EFAA C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cc(F)ccc1F 305222122 WJBLKASMEPCABR-LLVKDONJSA-N 333.400 2.669 0 50 EFAA COc1ccc(Cl)cc1NC(=O)N1CCC(n2cncn2)CC1 225532443 WAXMBYPSRDCIRU-UHFFFAOYSA-N 335.795 2.809 0 50 EFAA C[C@@H](CNC(=O)c1cn(C)nc1-c1ccoc1)CN1CCCCC1 225720246 HXRVMCLKHYUCGF-AWEZNQCLSA-N 330.432 2.532 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2sccc2C)C1 189082128 PFRZUYHQPZIZPR-XDQVBPFNSA-N 347.440 2.840 0 50 EFAA Cc1ccnc(NC(=O)[C@@H](C)Oc2ccccc2Br)n1 194662785 WWCSZWRLFOGLJL-SNVBAGLBSA-N 336.189 2.954 0 50 EFAA CN(C)C(=O)c1ccnc(NC(=O)NC(C)(C)c2ccc(F)cc2)c1 794274398 KNSVWFFDDUVBDJ-UHFFFAOYSA-N 344.390 2.979 0 50 EFAA Cc1cc(C)cc(NC(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)c1 1615947850 KMZQCKUBVCQJEW-ROUUACIJSA-N 329.444 2.630 0 50 EFAA CC(C)c1c(C(=O)O)nnn1-c1sc2c(c1C(=O)O)CCCC2 1775971220 PJXJXMIZGHLADQ-UHFFFAOYSA-N 335.385 2.727 0 50 EFAA Cc1ccc(C2(C(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)CC2)cc1 1772712837 RJXFLGMPHJSXGZ-IBGZPJMESA-N 348.446 2.596 0 50 EFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 5473305 USZMRUGXNNGWLG-GFCCVEGCSA-N 340.217 2.864 0 50 EFAA COCCn1c(SCC(=O)OC)nnc1-c1ccc(Cl)cc1 16276357 NYLFTDSVIWOYIL-UHFFFAOYSA-N 341.820 2.510 0 50 EFAA CCn1cnnc1CCn1ccnc1-c1cc2cc(C)ccc2nc1O 1857690276 ZNUROTWYFLPVKV-UHFFFAOYSA-N 348.410 2.966 0 50 EFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc3[nH]ccc13)C[C@H]2O 1857720973 SQSMQDGQNXGKPM-ZHHKINOHSA-N 348.446 2.737 0 50 EFAA Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1C 640867993 WFOJOMQOTXYHQW-XKQJLSEDSA-N 336.863 2.674 0 50 EFAA Cc1c(Br)cccc1C(=O)N1CCC[C@@H](n2ccnn2)C1 332261808 FAEYWDQNJIOKTD-GFCCVEGCSA-N 349.232 2.826 0 50 EFAA O=C(NCCC1(O)CCOCC1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 333274325 LBSVHRWTGGNQMH-HOAMVYINSA-N 349.393 2.649 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 668269234 GUVLCGLJWNACAA-FZMZJTMJSA-N 325.792 2.568 0 50 EFAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)c1ccc2ncccc2c1 678979294 RKPNDWXCQCDUJA-FQEVSTJZSA-N 332.359 2.891 0 50 EFAA O=C(Nc1cccc(F)c1)C(=O)Nc1cncc(Br)c1 157646951 PWODBSCHVDJOPL-UHFFFAOYSA-N 338.136 2.560 0 50 EFAA Cc1cccc([C@@H](O)CN2CCC(NC(=O)c3ccsc3)CC2)c1 929342523 QXLMQLUTHZJQOO-SFHVURJKSA-N 344.480 2.984 0 50 EFAA Cc1cc(C(=O)N2CCN(Cc3nc(C(C)C)ns3)CC2)c(C)o1 929344686 ZOVQFYVFLAUGOT-UHFFFAOYSA-N 348.472 2.829 0 50 EFAA Fc1cccc(-c2nnc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)o2)c1 831364418 PKYKOQDGKRTAQZ-BMFZPTHFSA-N 329.375 2.923 0 50 EFAA C[C@](O)(CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1Cl 841951504 YGXHLRYZANVZSK-WMZOPIPTSA-N 347.846 2.547 0 50 EFAA COC(=O)C1CCN(C(=O)c2c(C)cccc2Br)CC1 313295430 GPAXOWPHSYGLBO-UHFFFAOYSA-N 340.217 2.783 0 50 EFAA 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342.384 2.569 0 50 EFAA Cc1c(C)n(C(=O)CSc2nc(O)cc(O)n2)c2ccccc12 9427485 IHUFDMRYOYZWFV-UHFFFAOYSA-N 329.381 2.892 0 50 EFAA Cc1cccn2cc(CNC3CCN(C(=O)c4ccoc4)CC3)nc12 120807969 BUBKZMRKFSASAT-UHFFFAOYSA-N 338.411 2.630 0 50 EFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cn1 55058899 UVDWKYZCLYIMBZ-UHFFFAOYSA-N 348.809 2.635 0 50 EFAA CC[C@H](C(=O)NCc1nnc(C)o1)n1cc(C(C)=O)c2ccccc21 55255499 COYYNEILNWFFGB-OAHLLOKOSA-N 340.383 2.803 0 50 EFAA CCc1ccccc1NC(=O)CN(C)CC(=O)N[C@H]1CCCC[C@H]1C 248002798 ULEHEEAZMPDLPA-WBVHZDCISA-N 345.487 2.814 0 50 EFAA CCc1ccc(CN2CCC[C@H](CNC(=O)c3ccc[nH]3)C2)nc1 67432371 MHHSQDCWHPNMGP-MRXNPFEDSA-N 326.444 2.614 0 50 EFAA O=C(Nc1ccc2nc(S)[nH]c2c1)c1ncoc1[C@@H]1CCCO1 121735238 AASUVZHMBYIDLN-NSHDSACASA-N 330.369 2.943 0 50 EFAA Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1OC(C)C 120190851 YATBBVMPWIPMHJ-AWEZNQCLSA-N 329.404 2.510 0 50 EFAA CN(Cc1nccs1)[C@@H]1CC12CCN(CC1CCOCC1)CC2 328627234 FXANODOYZRJOII-MRXNPFEDSA-N 335.517 2.856 0 50 EFAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@@H]1COCCO1 11841446 FMAWQIKCFCGZKC-MRXNPFEDSA-N 335.835 2.588 0 50 EFAA C[C@]1(NS(=O)(=O)c2ccc3c(c2)CCCC3)CCO[C@@H]1C1CC1 329642924 ISMQQAWSWRQRHU-MSOLQXFVSA-N 335.469 2.801 0 50 EFAA CN(C)[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 65395206 MQKOJXNAJKOFME-GOSISDBHSA-N 344.434 2.564 0 50 EFAA O=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1cccs1)C[C@@H]1CCCO1 125676318 NBXYFXKFPNEDRB-HIFRSBDPSA-N 345.468 2.784 0 50 EFAA COc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc(C)n1 331825575 ANXQJKPUQKMJAC-BBRMVZONSA-N 348.349 2.625 0 50 EFAA CNC(=O)C[C@H](C)N(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 65372857 VZVROELHSWHPII-HNNXBMFYSA-N 339.439 2.895 0 50 EFAA COc1ccc(OC)c(-c2nc(CN3CCC(N)CC3)c(C)o2)c1 67727014 LRGNXKJMXNOODK-UHFFFAOYSA-N 331.416 2.590 0 50 EFAA C[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)c1nnc(N)s1 65383542 PURDOLRJKHTNAT-SECBINFHSA-N 345.453 2.659 0 50 EFAA COc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 2768750 BIACVQGTZHPYRO-UHFFFAOYSA-N 347.325 2.940 0 50 EFAA O=C(Nc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccn1)C1CC1 285343822 GWULAZVKCQOHOV-GFCCVEGCSA-N 341.333 2.845 0 50 EFAA Cn1nnc2c1C[C@@H](C(=O)N1CC(C)(C)C[C@H]1c1ccccc1)CC2 333517617 VMZBTMYZYFZDKU-YJBOKZPZSA-N 338.455 2.920 0 50 EFAA Nc1nccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 71775839 HQDOKRVVEKNCKJ-GFCCVEGCSA-N 325.199 2.944 0 50 EFAA CCC[C@]12CCCN1C(=O)N([C@@H]1CCN(c3ccccc3)C1)C2=O 239591308 BARICRLMQDCMFZ-VQIMIIECSA-N 327.428 2.862 0 50 EFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCc2ccncc2)C1 215940963 AZGCDVZCZRGPJE-IBGZPJMESA-N 337.467 2.961 0 50 EFAA CCN1C[C@@H](C)N(C(=O)c2cnc3onc(C(C)C)c3c2)C[C@H]1C 252476867 CUEZNBGMYRADDG-CHWSQXEVSA-N 330.432 2.901 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)oc1C 252477195 JWYDWJRLSWKQSV-ZWKOTPCHSA-N 342.439 2.509 0 50 EFAA C[C@H]1CN(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C[C@@H](C)O1 252586382 POAYPBUCCDGHLD-QLFBSQMISA-N 338.473 2.958 0 50 EFAA Cc1csc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)n1 72425617 MPTRZGHIHIFRLP-UHFFFAOYSA-N 348.472 2.847 0 50 EFAA Cc1cncn1C1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1 369079691 XEBSKMPYBGSSHJ-QGZVFWFLSA-N 339.395 2.657 0 50 EFAA CC1(C)C[C@@H](NC(=O)C2(O)CCSCC2)c2ccc(F)cc2O1 371276104 SIVVOHMNAWYWPA-CYBMUJFWSA-N 339.432 2.802 0 50 EFAA Cc1ccccc1C1(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)CCC1 373157720 CZYMTGDUOWAMNM-UHFFFAOYSA-N 349.496 2.842 0 50 EFAA O=C1Nc2ccccc2[C@@]12CCN(c1cc(N3CCCCC3)ncn1)C2 375311006 XKGYHMNYMVWUDY-FQEVSTJZSA-N 349.438 2.567 0 50 EFAA CCN(Cc1cc2ccc(Cl)cc2[nH]c1=O)Cc1nccn1C 71278574 VYYPOODXEKXMLP-UHFFFAOYSA-N 330.819 2.937 0 50 EFAA Cc1cc(C)n(C[C@@H](C)NCc2nc(Cc3ccccc3F)no2)n1 71762952 GMLZBVGYNDYGNN-CYBMUJFWSA-N 343.406 2.791 0 50 EFAA CNc1cc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)ccn1 77556121 GTROANZMVPSSSI-MRXNPFEDSA-N 327.432 2.713 0 50 EFAA O=C(NC1(CN2CCCC2)CCCCC1)N(CCO)Cc1ccco1 426493937 DYCBFFKFZDJGNR-UHFFFAOYSA-N 349.475 2.582 0 50 EFAA Cc1cccc(NC(=O)[C@H]2C(=O)[C@@H](C)N(Cc3ccccc3)C2=O)c1 161358492 YMYSDXCGENQVBP-RHSMWYFYSA-N 336.391 2.550 0 50 EFAA COc1ccc(Cl)cc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1 426705634 GYYPDCMTYBBIJN-NSHDSACASA-N 348.834 2.861 0 50 EFAA CC(C)(C(=O)N[C@H]1CCC(=O)NC1(C)C)c1ccc(Cl)cc1F 338523427 ONUZBSLITFYJKY-ZDUSSCGKSA-N 340.826 2.930 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccccc2N2CCCC2)C[C@H]1C 91604620 MUQLOKLFCGFBMS-OXQOHEQNSA-N 346.471 2.536 0 50 EFAA COCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95390285 NTLRTKITWQKSKR-GOSISDBHSA-N 342.483 2.894 0 50 EFAA O=C(c1sc2cccc(F)c2c1Cl)N1CCS(=O)(=O)CC1 91646128 LFONCFQEWHBRLG-UHFFFAOYSA-N 347.820 2.564 0 50 EFAA C[C@@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@@]1(O)C1CCC1 91575336 BUPIJJRJXFKALK-QRWLVFNGSA-N 346.471 2.501 0 50 EFAA CCN1CCC(CC(=O)N2CCCC[C@H]2CCn2cccn2)CC1 95383896 WYNJFHVHBFLXND-SFHVURJKSA-N 332.492 2.776 0 50 EFAA COc1cccc(-c2cc(C(=O)NCCOc3ccccc3)[nH]n2)c1 91255476 LMAJMOHQQVXPSF-UHFFFAOYSA-N 337.379 2.894 0 50 EFAA O=C1C[C@H](CNc2nccc(-c3cccnc3)n2)CN1C1CCCC1 96133339 IALLYOUKOPLZCO-CQSZACIVSA-N 337.427 2.742 0 50 EFAA CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 253408895 LEUIPXVHJLOGFZ-SJKOYZFVSA-N 342.443 2.974 0 50 EFAA Cc1cc(S(=O)(=O)N[C@H](C)c2ncc(C)[nH]2)c2ncccc2c1 534648621 JOCKEOCHIFSSDJ-GFCCVEGCSA-N 330.413 2.614 0 50 EFAA COCc1ccsc1C(=O)N1CCc2ccccc2[C@H]1C(=O)O 262759379 KKQKPTGOPWXTFL-AWEZNQCLSA-N 331.393 2.719 0 50 EFAA Cc1cc(C)c(NC(=O)NCCCc2nnc3ccccn23)c(C)n1 299758105 BYCWVSUDFAZPJI-UHFFFAOYSA-N 338.415 2.804 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)Nc1ccc2c(c1)OCO2 828061707 NGXRELAZPIXRIO-UHFFFAOYSA-N 328.372 2.729 0 50 EFAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1ccncc1Cl 828925412 SBVNJKFWRGWNMU-CQSZACIVSA-N 345.830 2.835 0 50 EFAA CCn1nc(Cc2cccc(Cl)c2)nc1[C@H](C)N1CCOCC1 670473268 NFTWZZUTTNBJKG-ZDUSSCGKSA-N 334.851 2.935 0 50 EFAA O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N[C@H]1C[C@@H](C(=O)O)C1 874398842 WLMFCVZCICMOSJ-VNHYZAJKSA-N 346.431 2.538 0 50 EFAA Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)[C@@H]1CC12CCNCC2 876820047 QAVQHJOUWDZJLB-BZUAXINKSA-N 344.503 2.573 0 50 EFAA C[C@@H](CC(=O)N1C[C@@H](O)[C@@H](O)C1(C)C)c1ccccc1C(F)(F)F 1875313768 TZSWVAKLZHTVDS-PSOPSSQASA-N 345.361 2.542 0 50 EFAA COc1cccc2cc(CN[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)oc12 1875399737 IIYPTIJHGQHKSX-IAOVAPTHSA-N 341.411 2.567 0 50 EFAA Oc1cccc([C@H]2CCCN(C[C@H]3CCc4nncn4C3)C2)c1F 1875307791 KKRFFCMVDFJDJO-KGLIPLIRSA-N 330.407 2.565 0 50 EFAA Cc1c(NC(=O)c2ccc3c(c2)ncn3C)cccc1C(=O)N(C)C 952970353 CEWKGEYIAHBGKM-UHFFFAOYSA-N 336.395 2.836 0 50 EFAA COCCn1cnnc1[C@@H](C)NCc1c(F)ccc(Cl)c1F 952984609 PNJHTOTUOWDMEH-SECBINFHSA-N 330.766 2.707 0 50 EFAA O=C(c1cc(O)c2ccsc2c1)N1CCC2(CC1)C[C@H](O)CCO2 886105517 BQYPUILYWYXXLM-CYBMUJFWSA-N 347.436 2.753 0 50 EFAA CC(C)(C)c1coc(CNC(=O)Cc2cn3cc(F)ccc3n2)n1 889550764 VEIYJPSUSFJTKK-UHFFFAOYSA-N 330.363 2.618 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)o1 1176957326 GIYVLIPGLKYEGN-GFCCVEGCSA-N 329.404 2.617 0 50 EFAA COc1cccc(F)c1C(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565515749 HGYJRAUMTVATSY-HOCLYGCPSA-N 337.391 2.538 0 50 EFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccoc1 275582635 ZNIVEFJCYOVKPJ-KBPBESRZSA-N 337.420 2.729 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)no1 275693442 MXLOIXVNGJNOQW-AWEZNQCLSA-N 346.456 2.566 0 50 EFAA O=C(COc1ccccc1)N(Cc1ccccn1)[C@H]1CCCNCC1 186611973 NQNOPUWTVRSDOU-SFHVURJKSA-N 339.439 2.631 0 50 EFAA CC(=O)c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1 276982612 FTLJHQCFSYFEMZ-IBGZPJMESA-N 339.439 2.987 0 50 EFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NCCc1nc2ccc(F)cc2n1C 408474575 FWGGFKJOSPANDV-KBXCAEBGSA-N 347.434 2.822 0 50 EFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 277374778 HXUYPOWIJHJTEC-SQNIBIBYSA-N 332.444 2.650 0 50 EFAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(-c3cccnc3)cc2)[C@H]2C=C[C@H]1C2 170002942 FQLCTXSDCUGFDW-CAMMJAKZSA-N 348.402 2.888 0 50 EFAA O=C(O)CC1CCN(C(=O)c2csc(Br)c2)CC1 110301155 BWAMMLLCKYJIDE-UHFFFAOYSA-N 332.219 2.838 0 50 EFAA CC[C@@](CNC(=O)CCc1ccccn1)(C(=O)OC)c1ccccc1 412973240 PVTDUCGENXRPAM-FQEVSTJZSA-N 340.423 2.651 0 50 EFAA C[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CCCO1 171301792 VXYDMKBZPKRSCB-KRWDZBQOSA-N 345.487 2.514 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 187482412 WQRZEGVSUCVGMV-TZMCWYRMSA-N 329.404 2.811 0 50 EFAA c1ccc(COc2ccccc2CN2CCO[C@]3(CCOC3)C2)nc1 187542475 QGSKCTXPDTZWON-HXUWFJFHSA-N 340.423 2.652 0 50 EFAA COc1ccc(-c2cn(CC(=O)N3CCC(C)CC3)nn2)c(Cl)c1 640776096 CQYJEPCPEVFSKC-UHFFFAOYSA-N 348.834 2.866 0 50 EFAA C[C@@H](CCC(=O)O)NC(=O)COc1ccc(Cl)c2cccnc12 191156487 LDXYLLFJJUEASA-JTQLQIEISA-N 336.775 2.637 0 50 EFAA CO[C@]1(c2nnc(COc3c(F)cccc3Cl)o2)CCOC1 644235263 QIKHZBFIUZBRQD-CQSZACIVSA-N 328.727 2.703 0 50 EFAA Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc2ncccn2n1 644958708 NQGSAKWNXNISOB-UHFFFAOYSA-N 335.411 2.886 0 50 EFAA O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccco1 192024491 DILZWZQQUDITCT-RDJZCZTQSA-N 334.803 2.669 0 50 EFAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406178 XAFNMAIYVWWAOM-KBPBESRZSA-N 337.847 2.965 0 50 EFAA CC(=O)NC(C)(C)c1noc(-c2cn(C)nc2-c2cccs2)n1 193203351 RBZYNSITGDKVTM-UHFFFAOYSA-N 331.401 2.570 0 50 EFAA C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 195026671 KBIGPHDZTJTDON-LBPRGKRZSA-N 348.424 2.936 0 50 EFAA O=C(Nc1cnc(CC2CC2)nc1)Nc1ccn(C2CCOCC2)n1 667051258 ASNDDMURFMWNQV-UHFFFAOYSA-N 342.403 2.621 0 50 EFAA CCOc1ccc(Cn2ccc3cc(OC)c(F)cc3c2=O)nc1 677235216 VAJGMUCLZIJILD-UHFFFAOYSA-N 328.343 2.991 0 50 EFAA CC(C)Sc1nnc(NC(=O)CN(C)Cc2ccncc2)s1 1506397523 WBBGAJHUMOEMMF-UHFFFAOYSA-N 337.474 2.504 0 50 EFAA CCC(CC)n1nccc1NC(=O)[C@@H]1CCCCN1C(=O)C1CC1 1506402637 KEHPVVTXKMCNDM-HNNXBMFYSA-N 332.448 2.974 0 50 EFAA CCOc1cc(Br)cc(/C=C2/SC(=O)NC2=O)c1O 974039 POQSLJJYFGNMIW-RUDMXATFSA-N 344.186 2.877 0 50 EFAA C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(F)cc1 11903542 WMZUDLXVMQCBFQ-SNVBAGLBSA-N 347.415 2.907 0 50 EFAA COc1ccc(C(C)C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 13153297 CALIFBVFCNLIOG-BETUJISGSA-N 327.446 2.617 0 50 EFAA CCOc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC2)cc1 16276328 DYQIXLVVGSDMOD-UHFFFAOYSA-N 346.456 2.689 0 50 EFAA CSc1cccc(NC(=O)N2CCC[C@@H](N3CCOCC3)C2)c1 19744373 MZZGXJANNUXNTA-OAHLLOKOSA-N 335.473 2.737 0 50 EFAA O[C@@H](Cn1ccnc1-c1ccnn1-c1ccccc1)c1cccnc1 1857681655 BIDNBGFFUQYWCO-SFHVURJKSA-N 331.379 2.864 0 50 EFAA CC(=O)N[C@H]1CN(Cc2csc(C(C)=O)c2)C[C@@H]1c1ccc(C)o1 222506359 PPRFHFWAFKCAFU-HOTGVXAUSA-N 346.452 2.956 0 50 EFAA CCc1cc(C)c(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)o1 328611443 LQVBHMGRBKKGFQ-CYBMUJFWSA-N 333.388 2.871 0 50 EFAA O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 646036760 RUPDSQXVEGFRAM-NSHDSACASA-N 339.438 2.919 0 50 EFAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1cc3c(cc1OC)OCCO3)C2 247960919 QLNUPSSUZKSTQT-WBVHZDCISA-N 346.471 2.773 0 50 EFAA C[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 670419692 JKIYZPMBJMBWFL-OAHLLOKOSA-N 326.396 2.660 0 50 EFAA CCc1nc([C@H]2CCCN2C(=O)c2ccc(OC(C)C)nc2)no1 363624563 HGGAWMSZEVVXNK-CYBMUJFWSA-N 330.388 2.792 0 50 EFAA Cc1cccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1Cl 910615121 GRHDRUQGEODTSI-VMBJYNEYSA-N 337.803 2.791 0 50 EFAA O=C(Nc1cc(CO)ccn1)c1cc(Br)cnc1C1CC1 823169715 GTECYFIHVCEUKU-UHFFFAOYSA-N 348.200 2.861 0 50 EFAA Cc1nnc2n1CCN(C(=O)Nc1cccc(OC(C)(C)C)c1)C2 934053123 WIFNXYXZWVDVBB-UHFFFAOYSA-N 329.404 2.812 0 50 EFAA CC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccc(F)cc1)CC2 874521923 CGNKXOMOLFTOGK-UHFFFAOYSA-N 342.370 2.748 0 50 EFAA CC(C)(C)OC(=O)N1CCC[C@H](N2C(=O)CNc3ccccc32)C1 2325712062 NUUDWQJSSSHGLG-ZDUSSCGKSA-N 331.416 2.845 0 50 EFAA CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 469077 KTVCRPAHBGKRPQ-UHFFFAOYSA-N 336.388 2.765 0 50 EFAA NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1 794311 UAHKVRSDSTZRQM-ZDUSSCGKSA-N 344.798 2.757 0 50 EFAA C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1nccs1 4999351 DCTXGMHIXDEQHC-SNVBAGLBSA-N 331.426 2.843 0 50 EFAA Sc1nnc(COc2ccc3c(c2)OCO3)n1-c1ccccc1 6492210 YQASEHAOCMNAIP-UHFFFAOYSA-N 327.365 2.864 0 50 EFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 6745005 WKXNCCNWUZAXII-OAHLLOKOSA-N 338.473 2.775 0 50 EFAA CC1(C)[C@H](NCCOc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCO[C@H]21 230188966 ZQLLINRYNACLAU-ATZDWAIDSA-N 344.455 2.743 0 50 EFAA CC(=O)N1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)CC1 20232167 NRHBGKCNFXWOHI-UHFFFAOYSA-N 335.354 2.592 0 50 EFAA COc1ccc([C@H]2[C@@H](CNC(=O)C3=COCCC3)CCCN2C)cc1 115145223 IKMDKRSFKXQZJF-APWZRJJASA-N 344.455 2.889 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c(F)c1 20910269 MXLYAIRFZVNUPP-KRWDZBQOSA-N 336.451 2.646 0 50 EFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cnn(C)c1 248101866 DZORWNUATYAXPC-BBWFWOEESA-N 325.412 2.896 0 50 EFAA Cc1nc(-c2ccc(CNC(=O)CC[C@H]3CCCN(C)C3)cc2)no1 65461179 LHMUYTDRYQFKND-MRXNPFEDSA-N 342.443 2.783 0 50 EFAA CN1C(=O)c2ccccc2CN1C(=O)COc1ccc(F)cc1Cl 328591928 CWYLVQMJFOAWQV-UHFFFAOYSA-N 348.761 2.887 0 50 EFAA CN(CCc1cccs1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328650268 VMPJHZRYOBUVGI-HOCLYGCPSA-N 336.480 2.569 0 50 EFAA CC(C)S(=O)(=O)CCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328654418 XKOLZTVXBSSNRP-MRXNPFEDSA-N 339.505 2.639 0 50 EFAA O=C(c1ccc2cccnc2n1)N1CCO[C@@H](c2ccc(F)cc2)C1 67755668 DAZWKWQBTVUXFZ-QGZVFWFLSA-N 337.354 2.983 0 50 EFAA O=C(NC[C@@H]1CCCNC1)c1cc(Cl)ccc1Br 130108560 NYZSUAUREZGHSO-SECBINFHSA-N 331.641 2.832 0 50 EFAA Cc1cccc(Cn2nc(C3CCNCC3)n(-c3ccccc3)c2=O)c1 67690982 ALGVESFJLQHLKK-UHFFFAOYSA-N 348.450 2.858 0 50 EFAA CC(C)Oc1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)n1 330618323 XRHNGQSTQHNBHA-GFCCVEGCSA-N 345.365 2.625 0 50 EFAA O=C(c1csc([C@@H]2CCCO2)n1)N1CCC(n2ccnc2)CC1 125354129 HSUAJUXTYUJNGU-AWEZNQCLSA-N 332.429 2.668 0 50 EFAA Cc1nc(S)sc1CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 125346040 WNPXAAWJQJOBMA-HONMWMINSA-N 338.498 2.747 0 50 EFAA O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(-n2cncn2)cc1 348557982 AVQJKNFTPWIJJD-UHFFFAOYSA-N 330.351 2.910 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@H](Nc2ccccc2)C1 126095340 RJMKCYGMKYSSJM-ZDUSSCGKSA-N 336.317 2.822 0 50 EFAA CCc1ccc([C@@H]2CCCN(C(=O)c3cc(C)nc(NC)n3)C2)cc1 331617769 XEYUACRWBWBTAW-QGZVFWFLSA-N 338.455 3.409 0 50 EFAA COc1cc(Oc2ccc(C(N)=O)cn2)ccc1CN1CCCC1 71278811 ONCGVPICMAVYNT-UHFFFAOYSA-N 327.384 2.577 0 50 EFAA CCNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1CC(C)C 32540546 ZIYRXNMWJXWYTH-IRXDYDNUSA-N 337.895 2.665 0 50 EFAA CN(C)c1ncc(-c2nccn2Cc2cccc(-n3cccn3)c2)cn1 71751030 UNKGRDILIIBIEO-UHFFFAOYSA-N 345.410 2.640 0 50 EFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1 77393922 WHQZHWMHUDTAPO-QGZVFWFLSA-N 341.411 2.820 0 50 EFAA O=C1CCN(C(=O)c2cc3ccccc3c(=O)o2)c2ccccc2N1 242324370 ZARMZGLUTZGBHL-UHFFFAOYSA-N 334.331 2.782 0 50 EFAA Cn1ccc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 253415595 GQXXLQCJRDVKAQ-ZDUSSCGKSA-N 349.276 2.799 0 50 EFAA C[C@@]12CCCN1C(=O)N([C@H]1CCN(c3ccc(Cl)cc3)C1)C2=O 253420146 HHGMNSJJNWMRTN-YOEHRIQHSA-N 333.819 2.735 0 50 EFAA CCCc1ncncc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 215349624 QEBWQLNBFQRSCZ-GFCCVEGCSA-N 329.400 2.937 0 50 EFAA c1cnn(-c2ccc(CN[C@H]3CCOC4(CCOCC4)C3)cc2)c1 77522139 KMDGYZVWTOOHJS-KRWDZBQOSA-N 327.428 2.690 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)c3cc(C)nc(O)c3)CC2)c1 152533086 MHKARPVWNCXOBM-UHFFFAOYSA-N 325.412 2.675 0 50 EFAA CCO[C@@H](C)c1noc(CN2CCC[C@H]2c2noc(C3CC3)n2)n1 257366159 LVUMYDSWNJITDS-JQWIXIFHSA-N 333.392 2.765 0 50 EFAA Cn1cc(NC(=O)c2cccc3c2OCCO3)c(-c2ccccn2)n1 360901563 WXJSOTAGTDEJLI-UHFFFAOYSA-N 336.351 2.506 0 50 EFAA CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 34842823 BFDBKMOZYNOTPK-UHFFFAOYSA-N 345.399 2.646 0 50 EFAA investigational Cc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1C1CC1 285518547 VZIKIVWNTYTFFK-MRXNPFEDSA-N 339.443 2.772 0 50 EFAA CCOCCN1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@H]1C 371732371 LZFKMSNLUSFCLY-FAEJEUNOSA-N 348.462 2.889 0 50 EFAA Cc1cnccc1OC1CCN(S(=O)(=O)c2ccsc2)CC1 285509329 FSNCUNOOCWIVDI-UHFFFAOYSA-N 338.454 2.684 0 50 EFAA CC(C)c1nnc2n1CCN(Cc1ncnn1-c1ccccc1)[C@@H]2C 374074844 NVXFOFINYMSDMC-CQSZACIVSA-N 337.431 2.559 0 50 EFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)N2CCN(C)CC2)cc1 72419543 CZLYHNORESSLOC-IBGZPJMESA-N 344.503 2.643 0 50 EFAA COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c(OC)c1 262578104 PJEQNSGJGSNSHD-CHWSQXEVSA-N 335.400 2.553 0 50 EFAA CC(C)Oc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1Cl 176399301 JJYBELIBZPDHLR-UHFFFAOYSA-N 335.791 2.817 0 50 EFAA CC[C@](C)(NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O 263245959 HSFNVTHUMHDGOI-INIZCTEOSA-N 336.775 2.637 0 50 EFAA CSCc1nc(CCN[C@H]2CCOC3(CCOCC3)C2)cs1 82108058 BXFTXEDAZUNCOP-ZDUSSCGKSA-N 342.530 2.866 0 50 EFAA Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3ccccc3F)CC2=O)cc1 82091420 FBYIJBZKHLLUMI-OAHLLOKOSA-N 340.398 2.941 0 50 EFAA O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N[C@@H](c1ccccc1)C1CC1 229220563 FNXBYJIFINJEEW-XLIONFOSSA-N 338.455 2.857 0 50 EFAA COc1c(C)cnc(CN(C)[C@H]2CCOC3(CCOCC3)C2)c1C 82114990 VSRZJQRWYCKCNC-INIZCTEOSA-N 334.460 2.867 0 50 EFAA CCCn1ncc(C(=O)N[C@]2(C(=O)O)CCCc3ccccc32)c1C 95506841 DHOGNAMGXPRVQU-LJQANCHMSA-N 341.411 2.648 0 50 EFAA NCCc1nnc(SC[C@@H]2CCCCO2)n1-c1ccc(F)cc1 426530789 JLXUPGJIQXWWBO-AWEZNQCLSA-N 336.436 2.569 0 50 EFAA CCCn1ncc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C 91988480 BJKNHQATHBTYKZ-BEFAXECRSA-N 335.492 2.601 0 50 EFAA Cc1cccn2c(F)c(C(=O)N(C)CC[C@H](O)c3ccccc3)nc12 97660349 WWVDTZGYWJOYBW-HNNXBMFYSA-N 341.386 2.978 0 50 EFAA COc1ccc2nc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)sc2c1 239174414 PZMGEQRKYWHISX-LBLXLQPISA-N 346.408 2.990 0 50 EFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCC2(CCOCC2)C1 244795395 RFPRGRBOXPDZMX-UHFFFAOYSA-N 325.412 2.905 0 50 EFAA Cc1ccc(C)c(NC(=O)Nc2nnn(Cc3noc(C)n3)c2C)c1 253420660 WBWGHDCXJWLWSF-UHFFFAOYSA-N 341.375 2.587 0 50 EFAA Cc1ccccc1-n1cc(CNC(=O)Cn2cc3ccccc3n2)cn1 299795886 MHMQZQJDYQAJNB-UHFFFAOYSA-N 345.406 2.847 0 50 EFAA CCOC(=O)[C@H]1CCCN(Cc2cccc(OC3CCNCC3)c2)C1 299766626 DQXUKXJSHCKANF-KRWDZBQOSA-N 346.471 2.593 0 50 EFAA C[C@H](NC(=O)COCC(F)(F)C(F)F)c1nc2ccccc2[nH]1 299789215 UKWMLHQCJSPVMC-QMMMGPOBSA-N 333.285 2.657 0 50 EFAA CCn1nc(Cc2ccc(OC)cc2)nc1CCn1nccc1C 824674559 NVSZVYVAKFVLRM-UHFFFAOYSA-N 325.416 2.645 0 50 EFAA O=C(CCc1ccncc1)NCCCc1nc2ccc(F)cc2[nH]1 670462277 CEBZCALVMARYNN-UHFFFAOYSA-N 326.375 2.779 0 50 EFAA CC[C@H](NC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)c1nc(C)no1 584897653 MVWDIUIZLGZMCN-LBPRGKRZSA-N 342.403 2.855 0 50 EFAA CN(C)c1nccc([C@H]2CN(Cc3cnc4ccccc4c3)CCO2)n1 952991815 JLYINEBMFHFTQH-LJQANCHMSA-N 349.438 2.664 0 50 EFAA CCN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)[C@@H](C)C1 952995620 RTIQPIMPQVNNBU-HNNXBMFYSA-N 346.475 2.630 0 50 EFAA C[C@@H]1CN(CC(F)(F)c2ccc(F)cc2)C[C@H]1N1CCOCC1 952994202 NIHYJDWPDJLMKG-CZUORRHYSA-N 328.378 2.570 0 50 EFAA Cc1cc(C)c([C@H](CO)NC(=O)c2ccc(C(=O)O)s2)c(C)c1 1875277243 FUKUDNUGMKHMEF-LBPRGKRZSA-N 333.409 2.835 0 50 EFAA Cc1ccc(-c2ccccc2)cc1C(=O)NC[C@@H]1C[C@@H](CO)CO1 1875299237 DVSJQNTUXRMPPB-YJBOKZPZSA-N 325.408 2.789 0 50 EFAA Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)[nH]c2c1CCCC2 1875300811 RIBXNBKZFPDRGR-UHFFFAOYSA-N 347.440 2.826 0 50 EFAA CC(C)c1ccccc1CNC(=O)N1C[C@@H](CO)OC2(CCC2)C1 1875354110 RDWJJVUWUGIMRL-INIZCTEOSA-N 332.444 2.635 0 50 EFAA NC(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCc3ccccc32)c1 1875301613 QHWRTPIPIDNMRT-ZDUSSCGKSA-N 326.371 2.775 0 50 EFAA CCS(=O)(=O)c1ccc([C@@H](C)Nc2nccn3cncc23)cc1 893745483 VSTKGHUPXOQQMH-GFCCVEGCSA-N 330.413 2.696 0 50 EFAA COc1cc(Cl)cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1413719302 YJJOXVBDRQQWOA-ZCFIWIBFSA-N 348.712 2.977 0 50 EFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(F)c1F 274832105 ZVEWRFUQPVBLJV-FXAINCCUSA-N 327.302 2.962 0 50 EFAA CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)o1 170597456 WNENCYYHYHOQMX-CHWSQXEVSA-N 342.461 2.522 0 50 EFAA CC(=O)c1ccc(NCc2ccccc2CN2CCC[C@H]2CO)nc1 170614940 CNUWWBZZJXRDFL-IBGZPJMESA-N 339.439 2.853 0 50 EFAA Cc1nc2c(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cccc2o1 279282689 KHKLOMCFABLODL-NSHDSACASA-N 341.333 2.750 0 50 EFAA c1ccc(-n2cncn2)c(CN2CCC[C@H](N3CCCC3)CC2)c1 678272880 GXELTNOMHTUDAW-SFHVURJKSA-N 325.460 2.718 0 50 EFAA CN(C[C@H]1CCCCO1)[C@H]1CCN(C(=O)c2nc(Cl)cs2)C1 972168979 QIFZTIBHUADCDO-NWDGAFQWSA-N 343.880 2.512 0 50 EFAA Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)co1 188903541 WRJGCZYKDJHITP-OALUTQOASA-N 347.503 2.997 0 50 EFAA CC(=O)NC[C@@H]1CCCCN1Cc1ccc2c(c1)OCCCCO2 639369770 IBKOOCRUDBAZQX-KRWDZBQOSA-N 332.444 2.729 0 50 EFAA Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N(C)C 225325067 ADWHGXHUNFEBMJ-YDHLFZDLSA-N 336.457 2.620 0 50 EFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccn2C2CC2)C1 190582929 QVDASPUOROSQCV-KRWDZBQOSA-N 338.455 2.812 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCc2ccco2)C1 190676230 VVHNGIIKUYQPTL-AWEZNQCLSA-N 348.472 2.708 0 50 EFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cnns1 191258932 SJUGWYOYZMBWCO-SECBINFHSA-N 343.239 2.854 0 50 EFAA NC(=O)c1cc(Cl)ccc1OCC1CCC2(CC1)OCCO2 192137450 IOJVQUWWLDKHQO-UHFFFAOYSA-N 325.792 2.751 0 50 EFAA Cc1cc(NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)[nH]n1 192259147 ZXCSJGJYNVVTHP-CYBMUJFWSA-N 329.404 2.755 0 50 EFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCS[C@H]2CCCC[C@H]21 194206526 TZWZASHMHDIMFR-KGLIPLIRSA-N 328.441 2.972 0 50 EFAA COc1ccc([C@@H](NC(=O)c2c(C)oc(C)c2C)C(=O)O)c(OC)c1 653666626 PYTNCBCEBLUCFL-MRXNPFEDSA-N 347.367 2.778 0 50 EFAA O=C(O)Cc1cccc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)c1 659137405 KFTRMKOPUQYXAK-SJORKVTESA-N 325.364 2.682 0 50 EFAA CS(=O)(=O)[C@H]1CCCN(c2cc(Nc3ccccc3)ncn2)CC1 663877615 HPAUTXJNGZTFHY-HNNXBMFYSA-N 346.456 2.624 0 50 EFAA C[C@@H]1C[C@@H]1c1ccc(CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1 666765328 HDKBCSNSRUWONS-YMILTQATSA-N 330.428 2.714 0 50 EFAA C[C@@H](C(=O)O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 86753208 YPNKVAVPQDVVRU-RYUDHWBXSA-N 341.249 2.601 0 50 EFAA O=C(c1cc2ncccn2n1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1348513332 JVTSLWPAMQYCBT-ZDUSSCGKSA-N 346.394 2.625 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 12597214 FMJDCZVHLRZRFL-QGZVFWFLSA-N 340.398 2.973 0 50 EFAA Cc1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 13612550 RXOMWDNYIWZHJN-UHFFFAOYSA-N 332.425 2.605 0 50 EFAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cs1 16648493 ILMWXKYGXWNMPV-UHFFFAOYSA-N 330.818 2.562 0 50 EFAA CCOc1cc(CN2CCN(C(=O)CC(C)C)CC2)ccc1OC 19532033 IBWQKZMBZKRWIN-UHFFFAOYSA-N 334.460 2.784 0 50 EFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCn2nccc2C1 1857737977 MCXOQIIIWHVZAD-GFCCVEGCSA-N 326.375 2.725 0 50 EFAA Ic1ccc(I)cc1 6827587 LFMWZTSOMGDDJU-UHFFFAOYSA-N 329.906 2.896 0 50 EFAA in-vitro COc1nc2ccccc2cc1-c1cc(N2CCC(O)CC2)ncn1 1875240872 JDCSYNLULPJQHR-UHFFFAOYSA-N 336.395 2.662 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)Oc2noc3ccccc23)cc1 1582848 SIXNKGXJEIVCDH-UHFFFAOYSA-N 332.337 2.554 0 50 EFAA COC[C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 113592102 APORECACPBXEOD-HKUYNNGSSA-N 345.487 2.892 0 50 EFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2scnc2C2CC2)o1 328612004 NHUZGSWXFGIKFD-NSHDSACASA-N 348.428 2.741 0 50 EFAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1 7616249 ATTZEZLWYOPGLN-CQSZACIVSA-N 341.473 2.974 0 50 EFAA CN(C)c1ccc([C@H]2CCCN2C(=O)Cc2cc(F)ccc2F)nn1 643891210 RHTIOKBACIODOA-MRXNPFEDSA-N 346.381 2.727 0 50 EFAA Cc1cn(C)nc1C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 334129643 SKWAMSIWVVGREH-QGZVFWFLSA-N 333.819 2.514 0 50 EFAA COc1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1OC 252489912 KEVOLPJSGJGSAE-UHFFFAOYSA-N 345.370 2.750 0 50 EFAA C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCc2ccn(C)n2)C1 680630666 TWVVWQQLHIGUPB-DYVFJYSZSA-N 330.407 2.894 0 50 EFAA COc1cccc([C@@H]2CN(C(=O)c3cccc(C(=O)O)c3)CCO2)c1 263526812 KHMDNJXTOIJPPL-KRWDZBQOSA-N 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O=C(CCn1cnc2ccccc21)N[C@H]1CCN(Cc2ccccc2)C1 268654540 VRZXDQIMEHBTLJ-SFHVURJKSA-N 348.450 2.817 0 50 EFAA Cc1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)cc1Cl 363238682 IAKPOHSYJNDARH-UHFFFAOYSA-N 336.863 2.975 0 50 EFAA COCc1c(C(=O)N2CCCC[C@H]2CCn2ccnc2C)noc1C 299800140 VJVMGGDMMFCYCO-HNNXBMFYSA-N 346.431 2.719 0 50 EFAA CC(=O)c1c(C)nn(CC(=O)N[C@@H](c2cccnc2)C(C)C)c1C 299794910 KZHZNNNNGYAPKN-GOSISDBHSA-N 328.416 2.611 0 50 EFAA CO[C@H](C)c1nc(COc2cccc(Cl)c2)nn1CCCO 584892778 WVCWFNDQTNTTHE-LLVKDONJSA-N 325.796 2.600 0 50 EFAA Cc1coc(C)c1CNC(=O)NCc1cc2c(nc1O)CCCC2 1875295100 QUAYSLHEVXVDNW-UHFFFAOYSA-N 329.400 2.875 0 50 EFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1ccnc2c(F)cccc12 1875399287 VCCLPTZRQSFGDE-CSMYWGQOSA-N 326.375 2.822 0 50 EFAA Cc1ccc(CC(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)o1 888913203 ALCQUPMPEGDVOK-KRWDZBQOSA-N 347.436 2.519 0 50 EFAA C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccnn1C 896262681 IPQMBUZOWHTHGT-HIFRSBDPSA-N 346.406 2.873 0 50 EFAA Cc1cc(C)nc(N2CCC[C@H]2c2ncc(Br)cn2)n1 895713219 KCHXGUVPFBEIRS-LBPRGKRZSA-N 334.221 2.987 0 50 EFAA Cn1c(CNC(=O)[C@]2(C)CC=CCC2)cc(=O)n1-c1ccccc1 1334440094 PDWPAJSNYPSEFA-LJQANCHMSA-N 325.412 2.539 0 50 EFAA C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCC(F)(F)F)CCO1 271273568 OVLRTEIWASUAGA-DGCLKSJQSA-N 346.349 2.994 0 50 EFAA Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c[nH]1 271445196 RKSZQBWSJBCZDM-GXTWGEPZSA-N 339.317 2.685 0 50 EFAA Cn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c([C@@H]2CCOC2)n1 275343529 SYKZQUJHTUFQMB-RHSMWYFYSA-N 325.412 2.731 0 50 EFAA COc1cccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1OC 186892948 BNCSVTGTVPABCB-FQEVSTJZSA-N 339.391 2.975 0 50 EFAA O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 633265761 YCSYSHDFRCBUOB-ZQDZILKHSA-N 342.361 2.602 0 50 EFAA Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@H](CC(C)C)C(=O)O)c1 408513500 MYSRGGFBBZWMSZ-AWEZNQCLSA-N 346.427 2.599 0 50 EFAA C[C@@H](C(=O)Nc1ncccn1)N1CCS[C@@H](c2ccccc2)C1 221774289 RJFKXCUXLJWDLD-DZGCQCFKSA-N 328.441 2.594 0 50 EFAA Cc1ccc(C)c(N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)c1 412196013 QJVWQTMNBYIWCG-KRWDZBQOSA-N 340.471 2.879 0 50 EFAA CCOC(=O)COc1ccc(NC(=O)NCCCOC(C)C)cc1 170609511 RUEDYKWWTFOBCR-UHFFFAOYSA-N 338.404 2.565 0 50 EFAA CCOC(=O)c1nc(NC(=O)c2ccn(-c3ccccc3)n2)oc1C 187446895 MWFGEOBONVECIM-UHFFFAOYSA-N 340.339 2.598 0 50 EFAA Cc1ccc(C)c([C@H]2CN(C(=O)CC3OCCCO3)[C@@H](C)CO2)c1 189133879 QXFIBCGLBAKMQJ-DOTOQJQBSA-N 333.428 2.745 0 50 EFAA CC1(C)CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)[C@H]1[C@@H]1CCCO1 646431759 VHAVIYACERRCNG-GJZGRUSLSA-N 326.400 2.501 0 50 EFAA Cc1ccc(-n2cc(NC(=O)N(CCO)CC(F)F)cn2)c(C)c1 194010296 LDBBMNDDHDUIAC-UHFFFAOYSA-N 338.358 2.580 0 50 EFAA COC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)C1 1506420672 PDYZBLHCKBYUBL-LLVKDONJSA-N 335.828 2.667 0 50 EFAA Cc1ccccc1OC[C@H]1CCCN(Cc2nc(C(=O)O)co2)C1 1529151324 BAGOFPJPBNMSFB-AWEZNQCLSA-N 330.384 2.972 0 50 EFAA CN(C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1)c1ccccc1 219383164 BXQGKQWDEVXXHS-AEFFLSMTSA-N 341.455 2.966 0 50 EFAA c1ccc2sc(N3CCCN(CC[C@@H]4COCCO4)CC3)nc2c1 1775980676 GYEVEKRVNLIZBF-OAHLLOKOSA-N 347.484 2.614 0 50 EFAA C[C@@H](NC(=O)c1ccccc1Br)c1n[nH]c(=S)n1C 5954525 FAAWDUKHKOXUJT-SSDOTTSWSA-N 341.234 2.731 0 50 EFAA COC(=O)CCCNC(=O)c1cc(COc2cc(C)ccc2C)on1 12072470 DRJMUGFPJRJRRA-UHFFFAOYSA-N 346.383 2.553 0 50 EFAA CCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 12138527 QJIDTEOHQSAADO-UHFFFAOYSA-N 326.352 2.777 0 50 EFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(Cc3ccsc3)CC2)C1 12707262 NAFUPKBZYCMKES-INIZCTEOSA-N 347.528 2.703 0 50 EFAA Cc1ccc(CN2CCC(CN(C)Cc3cnn(C)c3C)CC2)o1 15073457 HYCKBMQBWQBHNB-UHFFFAOYSA-N 330.476 2.974 0 50 EFAA COC(=O)[C@@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 1857530592 DSAWZHQRYHVKAZ-SOUVJXGZSA-N 327.783 2.850 0 50 EFAA CCn1nc(-c2c[nH]nc2C)nc1-c1cccc(N2CCCC2=O)c1 1857726718 AKRKLYKHHZSRII-UHFFFAOYSA-N 336.399 2.790 0 50 EFAA CC(C)(C)[C@H]1CN(C(=O)Cc2c[nH]nc2O)C[C@@H](c2ccccc2)O1 1875250635 STVAKQMVTNKMAZ-JKSUJKDBSA-N 343.427 2.673 0 50 EFAA COc1cccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1F 657631922 HXIQZBVJHKUUJT-KXBFYZLASA-N 343.402 2.539 0 50 EFAA CCOC1CC(N(C)CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C1 347461947 TYOGZAFKINCYEQ-OUNSHVDWSA-N 346.471 2.762 0 50 EFAA O=C(O)[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3F)s2)C1 262987337 CYRWADVVYKBXKN-LLVKDONJSA-N 349.387 2.811 0 50 EFAA COC[C@H](C)C(=O)NCCc1c[nH]c2ccc(Br)cc12 390834101 RVXVIYLYISFNLY-JTQLQIEISA-N 339.233 2.872 0 50 EFAA Cc1c(Br)cc(F)cc1-c1nc([C@@H](C)NC(N)=O)no1 904071713 YCVNYUADPJFZCU-ZCFIWIBFSA-N 343.156 2.676 0 50 EFAA CN(C)CCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 4511574 PNXMYHCCIPOBKI-UHFFFAOYSA-N 349.434 2.857 0 50 EFAA CCCCOc1ccccc1C1C(C(=O)OC)=CNC=C1C(=O)OC 19799638 DONCICXUURQTJM-UHFFFAOYSA-N 345.395 2.666 0 50 EFAA CC1(C)CC2(CC(c3nc(C(C)(C)NS(C)(=O)=O)no3)C2)C1 2325774310 HFPYDFVZTCURLZ-UHFFFAOYSA-N 327.450 2.538 0 50 EFAA Cc1nc2ccc(NS(=O)(=O)c3cnc(C4CC4)o3)cc2nc1C 2325801388 FWFFOXHUILWIMT-UHFFFAOYSA-N 344.396 2.913 0 50 EFAA O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1coc(O)n1 2325825961 JLVXFAFXEUGFPB-VIFPVBQESA-N 341.136 2.699 0 50 EFAA Oc1ccc(N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cn1 2325863313 DGHYUIRSWYPRTC-UHFFFAOYSA-N 333.395 2.571 0 50 EFAA CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 267738 XRIRGNVWQURSSX-UHFFFAOYSA-N 335.381 2.893 0 50 EFAA CCOc1cc(C=O)ccc1OCC(=O)NCCc1ccccc1 465996 JTPCUYBKBMCLAV-UHFFFAOYSA-N 327.380 2.636 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 859765 ILUZCNWCEBEDEO-AWEZNQCLSA-N 346.452 2.945 0 50 EFAA COCCN1CCC[C@]2(CCCN2Cc2ccc(F)c(F)c2)C1=O 2356149051 HHMKWGWITYJNHJ-SFHVURJKSA-N 338.398 2.568 0 50 EFAA CSc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1 2948403 GSWIGRKXCOKTDG-UHFFFAOYSA-N 340.495 2.874 0 50 EFAA aggregator CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1 3649831 SJYFDORQYYEJLB-ZDUSSCGKSA-N 348.443 2.861 0 50 EFAA in-man CC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 4868084 DOUFEIKUCKMMGP-PIGZYNQJSA-N 326.352 2.812 0 50 EFAA O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 4870347 BLVJEXZXEYKDSX-ACJLOTCBSA-N 327.767 2.925 0 50 EFAA Cc1sc(NC(=O)CCC(=O)O)c(C(=O)NC2CCCC2)c1C 6741512 XSNUMDCVSFEUKU-UHFFFAOYSA-N 338.429 2.841 0 50 EFAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cnc2ccccn2c1=O 55243510 KGQICBOFRYSKQC-CQSZACIVSA-N 336.395 2.530 0 50 EFAA COc1ccc(Nc2nc(N)nc(CN3CCCC[C@@H]3C)n2)cc1 9483758 WKQDXEGWXKPGOT-LBPRGKRZSA-N 328.420 2.580 0 50 EFAA CCOc1ccccc1NC(=O)CC(=O)N(C)CCC1CCOCC1 55575864 BTHDVEOGMLOUAU-UHFFFAOYSA-N 348.443 2.689 0 50 EFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 101749271 CDHYVNVXAYOGLM-MJVIPROJSA-N 331.368 2.635 0 50 EFAA CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H](O)CO 23214129 XGDQQTLXWWVVCE-IBGZPJMESA-N 337.423 2.529 0 50 EFAA C/C=C/CC(=O)NC[C@H]1CCCN(Cc2cccc3nonc23)C1 67818999 SMKGPGMDVBVXGY-BAABZTOOSA-N 328.416 2.517 0 50 EFAA CC(=O)c1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1C 119538077 MLKMTLFILVSNBC-CQSZACIVSA-N 326.400 2.953 0 50 EFAA C[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)C[C@@H]1N1CCOCC1 229305291 GNMVGRAKXZFMSZ-POAQFYNOSA-N 342.483 2.676 0 50 EFAA CCn1cnnc1[C@@H]1CN(Cc2cnc(C3CCC3)s2)CCO1 328651025 VTTQVBGQKALTTN-AWEZNQCLSA-N 333.461 2.596 0 50 EFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@H]2CCCC[C@H]21 123490633 VIWLMBIQDSOBCZ-KGLIPLIRSA-N 345.424 2.809 0 50 EFAA CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 123747513 ADYXYZINHWOFKN-DFBGVHRSSA-N 335.448 2.572 0 50 EFAA CN(CCC(=O)NC1CCCCC1)C[C@H]1COc2ccccc2O1 65373749 RWDKUEUUDMSRTE-INIZCTEOSA-N 332.444 2.597 0 50 EFAA CCc1nnc(S)n1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252515444 KBEVQJUYAFUZKG-MELADBBJSA-N 336.505 2.852 0 50 EFAA Cc1cnc2c(c1)N(C(=O)Cc1ccc(-n3cccn3)cc1)CCO2 126389608 WPODLTNASHBFHU-UHFFFAOYSA-N 334.379 2.544 0 50 EFAA CCOc1ccc([C@H](COC)NC(=O)Nc2cn(C)nc2C)cc1 252488563 IUTUXKPTUQXLAR-INIZCTEOSA-N 332.404 2.636 0 50 EFAA COc1ccc(CCN2C(=O)O[C@@H]3CN(CC=C(C)C)C[C@@H]32)cc1 67740340 WEHHHIZVEXEVFV-ZWKOTPCHSA-N 330.428 2.709 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2c2nccc(C(F)(F)F)n2)c1 283593011 SEILKQRNGYONCR-YPMHNXCESA-N 339.317 2.816 0 50 EFAA CCCOc1ccc(C(=O)N2CCC(Cc3nncn3C)CC2)cc1 65383432 AGTUNMYPJCFUTM-UHFFFAOYSA-N 342.443 2.699 0 50 EFAA CN(C)C[C@H](NC(=O)N[C@@H]1CCCOCC1)c1ccc(Cl)cc1 283746382 YJXJRALGBKXAHJ-CVEARBPZSA-N 339.867 2.811 0 50 EFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1)CC2 252477320 LYFUPGDGFFKAMI-XLAORIBOSA-N 347.430 2.708 0 50 EFAA CC1(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)CCN(Cc2ccccc2)CC1 251546741 GXYCVUIMJFLRNM-KZNAEPCWSA-N 328.456 2.725 0 50 EFAA CCCn1ccnc1CNC(=O)CCc1nc(-c2ccccc2)no1 77319453 KIMGCEJZRZPZAA-UHFFFAOYSA-N 339.399 2.592 0 50 EFAA C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 450440034 PRJWNXBAQVRQHF-GFCCVEGCSA-N 343.431 2.633 0 50 EFAA CC(=O)NCC[C@H]1CCCCN1Cc1nc2ccccc2nc1C 77438584 RRLVDOVYJWMEIU-MRXNPFEDSA-N 326.444 2.819 0 50 EFAA CCOC(=O)c1sc2ncnc(NCc3ncccc3O)c2c1C 358853100 XWMLQRONYILKBV-UHFFFAOYSA-N 344.396 2.889 0 50 EFAA C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 132225269 SWKMAMUTXRUPMG-QPUJVOFHSA-N 337.725 2.581 0 50 EFAA Cc1nc2c(c(NCc3ccccc3-n3ccnc3C)n1)CCNCC2 72428231 ZWNXSIRTVRYFQS-UHFFFAOYSA-N 348.454 2.579 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)C(=O)N1CCCC[C@H]1C 245385676 FZVAJXNDYSWVOR-YCPHGPKFSA-N 345.443 2.599 0 50 EFAA Cn1c(=O)c(CNc2nc(O)c3ccccc3n2)cc2ccccc21 488678384 VBDZNRPDHGLJCC-UHFFFAOYSA-N 332.363 2.799 0 50 EFAA C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1cccc(N(C)C)c1 246319479 KKAJXGFZLBFPPY-YOEHRIQHSA-N 339.443 2.707 0 50 EFAA Cc1ccc(NCCCNc2nc(C)nc3c2c(C)nn3C)nc1 72440033 HOMRFWUBQMBPBE-UHFFFAOYSA-N 325.420 2.598 0 50 EFAA CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 489651719 QJCFPSGQLVMBMD-GVDBMIGSSA-N 332.469 2.750 0 50 EFAA O=C(NCCc1nc(-c2ccccn2)cs1)c1ncncc1Cl 175212271 SGHYIJNDBDHKGE-UHFFFAOYSA-N 345.815 2.621 0 50 EFAA O=C(COc1ccc(Cl)c2ccccc12)N[C@H](C(=O)O)C1CC1 262182339 QGCHYFMERMTQTH-INIZCTEOSA-N 333.771 2.851 0 50 EFAA CN1CCCC[C@H]1CC(=O)N(CCCO)Cc1ccc(Cl)cc1 215069346 XWXXWNINWKXQHS-KRWDZBQOSA-N 338.879 2.925 0 50 EFAA Cc1cc(NCC2CCN(C(=O)C3CC3)CC2)n2nc(C)c(C)c2n1 72479833 JSMQQXKYSQLYFU-UHFFFAOYSA-N 341.459 2.715 0 50 EFAA CN(c1ccccc1)C1CCN(C(=O)NCC2CCOCC2)CC1 176053308 ZVMFOQNAWMYLBA-UHFFFAOYSA-N 331.460 2.723 0 50 EFAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(c2nnc3n2CCCCC3)CC1 82119928 FLAUADCVFZLGGC-HYVNUMGLSA-N 340.471 2.923 0 50 EFAA Cc1cc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c(C)o1 223576299 HFPZSKXSTDMELH-KRWDZBQOSA-N 329.400 2.582 0 50 EFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCCc2ccccn2)c1C 426552073 VNEIQCYSKUPDLS-CYBMUJFWSA-N 342.443 2.798 0 50 EFAA COCCN1C[C@H](Cc2ccccc2-c2nnc(C)s2)CC1=O 222721448 PUBDMVJUQIEBRB-CYBMUJFWSA-N 331.441 2.551 0 50 EFAA COC[C@H](NC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1)C1CC1 292338827 JRZKSBHAVKCBGP-KRWDZBQOSA-N 330.428 2.677 0 50 EFAA CSCCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 223596650 ZTLIATCLLGKQHZ-RWKZGTHUSA-N 330.453 2.916 0 50 EFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H]2C=C[C@H]1C2 222491310 VVBQHCRMLCIBDR-CADBVGFASA-N 339.435 2.991 0 50 EFAA CC[C@H](C(=O)NC1CCCC1)n1ccc(C(=O)NC2CCCC2)n1 20617417 TYOQOEFQPPYKLO-MRXNPFEDSA-N 332.448 2.565 0 50 EFAA Cc1nc(N)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)c1Cl 426395957 NEKQYLOUPYKSIO-LBPRGKRZSA-N 332.835 3.081 0 50 EFAA Nc1nc(CCC(=O)N2CCc3c([nH]c4ccccc34)C2)cs1 97547775 YMXNNCSHYKXRNP-UHFFFAOYSA-N 326.425 2.724 0 50 EFAA CN1CCCC[C@H]1CCC(=O)NCc1csc(N2CCCC2)n1 95375354 NGFSQSPFGDBOEY-HNNXBMFYSA-N 336.505 2.624 0 50 EFAA CCc1c(C)nc(C)nc1N1CCC2(CCC(=O)N(CC)C2)CC1 91663838 HKNBANKYLXIYMM-UHFFFAOYSA-N 330.476 2.885 0 50 EFAA C[C@@H](c1cncs1)N(C)C(=O)c1cnc(-c2cccnc2)nc1 95388534 IOBWMTDFUDLDGJ-NSHDSACASA-N 325.397 2.828 0 50 EFAA CC(C)c1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@@H]23)on1 97117630 SOQNMIVFGPXMSX-MRXNPFEDSA-N 325.368 2.799 0 50 EFAA Cc1ccn2c(F)c(-c3nc(C)nn3C3CCN(C)CC3)nc2c1 96153369 SWMCYYIXQLEVFW-UHFFFAOYSA-N 328.395 2.615 0 50 EFAA COc1ccc(CN(C)Cc2cnccn2)cc1CN1CCCC1 97527885 ZBPVYJJVCIHVTA-UHFFFAOYSA-N 326.444 2.713 0 50 EFAA Cc1ncc2c(c1CNC(=O)c1cc3c(s1)CCCC3)CCNC2 91563133 DPGYPYXANGGTQQ-UHFFFAOYSA-N 341.480 2.906 0 50 EFAA CC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)c1 97713467 TXVQDNONFWUCMN-CQSZACIVSA-N 346.366 2.580 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 96139287 UUXRTACQSZFYEV-LMFLDHGRSA-N 345.487 2.653 0 50 EFAA c1ccc2c(c1)ncn2CCN1CCC(N2CCSCC2)CC1 244866533 VXUDHMTWHGFTFA-UHFFFAOYSA-N 330.501 2.550 0 50 EFAA Nc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCC2)cn1 244716134 LJANCWLGQWOOBN-KRWDZBQOSA-N 342.418 2.760 0 50 EFAA O=C(O)C[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 299745010 QRCYLHHTEAZKKH-LBPRGKRZSA-N 333.363 2.953 0 50 EFAA CC(=O)Nc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 253977905 UQYJMFICPDIHSF-NBLIUIFLSA-N 348.786 2.760 0 50 EFAA Cc1noc(C)c1CNC(=O)N1CCC(OCc2cccnc2)CC1 534640828 FCSAQGQDHPCCDI-UHFFFAOYSA-N 344.415 2.577 0 50 EFAA CSCC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1cccc1 263588862 ZINJOXIYXPVUSS-HUUCEWRRSA-N 346.452 2.739 0 50 EFAA C[C@H](NC(=O)NCC1(O)CCCCC1)c1nc2ccccc2n1C 534649242 OAYWKOXSVNSBAP-ZDUSSCGKSA-N 330.432 2.629 0 50 EFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@@]2(CCOC2)C1 185339804 GBCBTQPAOVAXOA-AWEZNQCLSA-N 330.306 2.729 0 50 EFAA CCc1nn(C)c(NC(=O)N(C)Cc2n[nH]c3c2CCCCC3)c1C 299781605 DVIWSJFZSLAHSB-UHFFFAOYSA-N 344.463 2.947 0 50 EFAA CN1CCC(CNC(=O)CCn2cccc2)(c2ccccc2)CC1 299773249 BRGNCZBBCHEJPI-UHFFFAOYSA-N 325.456 2.658 0 50 EFAA CCc1[nH]nc(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)c1C 584901494 FRDJHAPJHZKYDP-UHFFFAOYSA-N 339.399 2.609 0 50 EFAA CCO[C@@H]1C[C@@H](NC(=O)N(C)CCc2cnccn2)C12CCCCC2 271319723 ARKBSFSEIYKKCP-IAGOWNOFSA-N 346.475 2.788 0 50 EFAA O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)c1cccc2ncnc(O)c12 952884243 WIAGWLRLELNZGU-SWLSCSKDSA-N 339.395 2.699 0 50 EFAA Cn1cc([C@H](O)CNCc2cc(Cl)cc(Br)c2)cn1 1875272026 LZRPXUIKXGYCSE-CYBMUJFWSA-N 344.640 2.659 0 50 EFAA Fc1cncc(CCN2CCN(c3nncc4ccccc34)CC2)c1 1875281742 UMDIABLEXCGPEM-UHFFFAOYSA-N 337.402 2.529 0 50 EFAA CNC(=O)[C@H](Nc1cc(-c2ccccn2)nc(C)n1)c1ccccc1 1875255387 RMYMFTBUEOWPBQ-GOSISDBHSA-N 333.395 2.746 0 50 EFAA CC(C)(C)[C@@H]1CC[C@@H](CO)N(c2ncncc2Br)C1 1875294529 IFNARNSJAWZYJB-MNOVXSKESA-N 328.254 2.863 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 1875365185 VHTZUYPRHOQGJI-INIZCTEOSA-N 328.412 2.554 0 50 EFAA COc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)c(F)c1F 1565515791 RVWPUJZANZUYIE-OLZOCXBDSA-N 326.387 2.632 0 50 EFAA COc1ccccc1-c1cccc(C(=O)N[C@H]2CCOC[C@@H]2OC)c1 1565508644 GETCJGBUOZADEO-HKUYNNGSSA-N 341.407 2.896 0 50 EFAA COc1ccc(C(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)cc1 1319229568 IYEJHWMRMRPTQI-UHFFFAOYSA-N 337.335 2.831 0 50 EFAA CS[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 186096080 VWSMUISOQUHWNL-KOLCDFICSA-N 346.374 2.678 0 50 EFAA CC[C@]1(C)CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 276003393 PBNJHMNPAVLWCQ-HXUWFJFHSA-N 330.472 2.926 0 50 EFAA COCc1ccc(S(=O)(=O)NCC[C@H]2CNc3ccccc32)cc1 631963663 IPTYQEURJQSYDY-HNNXBMFYSA-N 346.452 2.711 0 50 EFAA C[C@@H]1C[C@@H](NC(=O)Nn2cnc3ccccc32)CN1c1ccccc1 170644626 GHVIDXQTEJCBPS-HUUCEWRRSA-N 335.411 2.957 0 50 EFAA CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 170638120 DUAOHYHGKZROPY-AXTRIDKLSA-N 330.354 2.787 0 50 EFAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncc[nH]1 412106984 JGUOVPNBFVNZAW-SNVBAGLBSA-N 327.306 2.803 0 50 EFAA CO[C@](C)(C(=O)NCCc1cccc(C(=O)O)c1)c1ccccc1 225553135 PMDKZJZNQOOLBY-IBGZPJMESA-N 327.380 2.605 0 50 EFAA COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C(=O)N1CCCCC1)c1ccccc1 225668847 YWKNDNUGXXZTEV-FGTMMUONSA-N 344.455 2.672 0 50 EFAA Cc1cc(CNC(=O)c2scnc2C2CCCC2)nc(N(C)C)n1 190660084 VRBDHJNTGPZWSY-UHFFFAOYSA-N 345.472 2.895 0 50 EFAA O=C(O)C1CCN(C(=O)c2ccnc(OC3CCCCC3)c2)CC1 192415921 REFUYJJDOKPPCG-UHFFFAOYSA-N 332.400 2.730 0 50 EFAA CC[C@H](C(=O)N1CSC[C@H]1C(=O)NCC1CC1)c1ccccc1 193337615 RFCONINZHYCTRX-HOTGVXAUSA-N 332.469 2.608 0 50 EFAA CCOC(=O)[C@@H](NC(=O)Cc1cc(C)on1)c1ccc(Cl)cc1 193859595 PBUPPOWBTNBQQJ-HNNXBMFYSA-N 336.775 2.600 0 50 EFAA O=C(NCc1cnn2ccccc12)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664876619 DVDAQFMVOJPUIT-BPQIPLTHSA-N 336.370 2.611 0 50 EFAA Cc1[nH]c2ccc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)cc2c1C 1529171997 BZQAFXDSXOELNF-XLIONFOSSA-N 349.434 2.855 0 50 EFAA CCC[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(C(C)C)cc2)C[C@@H]1O 1704300434 VVKZCKOBNMMEOQ-PXNSSMCTSA-N 347.455 2.817 0 50 EFAA CC1(C)COc2c(CN3CCOC[C@H](C(=O)O)C3)cc(Cl)cc21 1775981126 ADMYUWVFKJKEHT-GFCCVEGCSA-N 339.819 2.543 0 50 EFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccsc1 12111829 BQTLOYRINDBRRV-ZDUSSCGKSA-N 334.828 2.932 0 50 EFAA CC1(C)C[C@H](Nc2nc3nonc3nc2NC2CCCC2)CCO1 12715400 DVRVJSKHZVIRKD-LLVKDONJSA-N 332.408 2.737 0 50 EFAA CCOC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 13329179 ZAGGCKWCYFRCRS-UHFFFAOYSA-N 338.429 2.668 0 50 EFAA Cc1c(CC(=O)NC[C@@H](C)O)c2c(n1CC(C)C)CC(C)(C)CC2=O 14948349 IBHIRQWXFVBCIT-CYBMUJFWSA-N 348.487 2.647 0 50 EFAA CCN1CCC[C@@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 15070805 UBQHFJQJTXHCBH-KRWDZBQOSA-N 347.507 2.662 0 50 EFAA CCCN1CCC(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)CC1 16604037 AKLLCLRJVHSINS-SFHVURJKSA-N 334.460 2.843 0 50 EFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N1CCC2(CC1)CC2 1857528792 YRTWUCSHXPNAHR-XAUMDUMWSA-N 343.471 2.600 0 50 EFAA O[C@H](Cn1cc(-c2cccc(Cl)c2Cl)nn1)C1(O)CCC1 1857530134 NZFIVCLLWSKKHA-GFCCVEGCSA-N 328.199 2.528 0 50 EFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(-c3ccccc3F)o1)C2 1857669530 KGCHYLFSVXYMBJ-IFXJQAMLSA-N 331.387 2.917 0 50 EFAA Cc1c(NC[C@]2(C)CCOC2)nn2c(C(F)(F)F)nnc2c1C 676413356 NLDCCDIXHNMPKY-ZDUSSCGKSA-N 329.326 2.598 0 50 EFAA CCC(CC)N1C[C@@H](C(=O)N(C)c2nc3ccccc3o2)CC1=O 109204099 IKYOPIMVJZBPFJ-LBPRGKRZSA-N 329.400 2.828 0 50 EFAA C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)O 237565036 QNSLBHDAVIZKND-JLLWLGSASA-N 345.317 2.868 0 50 EFAA Clc1cnn([C@H]2CCN(Cc3c[nH]nc3-c3cccnc3)C2)c1 365610432 QNSUEIHSYNCRJE-HNNXBMFYSA-N 328.807 2.769 0 50 EFAA Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc(C)c1OCC(=O)O 262220915 VKUHVBLFXDZLPN-HOTGVXAUSA-N 347.411 2.550 0 50 EFAA CC1(C)COc2c(S(=O)(=O)Nc3ccc4occc4c3)cnn2C1 901939687 VUBOPMZTGSNFGL-UHFFFAOYSA-N 347.396 2.849 0 50 EFAA CCc1onc(C)c1CN1CC[C@@H](Nc2ccc3nc(C)cn3n2)C1 930564048 QJOHYYALEAJIQJ-CQSZACIVSA-N 340.431 2.583 0 50 EFAA Fc1ccc(-n2cc(CN3CCC[C@H]3c3nc[nH]n3)nn2)cc1Cl 931140185 FMHYNAVKZKJRJZ-AWEZNQCLSA-N 347.785 2.515 0 50 EFAA CC(C)Cn1ccnc1NC(=O)C[C@@H]1CC(=O)Nc2ccccc21 931537544 VZMXVIIUDJHMGB-ZDUSSCGKSA-N 326.400 2.994 0 50 EFAA Cc1cc2c(cc1C)[C@@H](C(=O)NCC1CC(O)(C(F)(F)F)C1)CO2 2325804160 XMDRVTTYZOYATF-ULKWEWGCSA-N 343.345 2.599 0 50 EFAA CO[C@@H]1CC[C@H]1Cc1nc(-c2ccncc2)nn1CC(F)(F)F 2325849113 GXAYJZIZKWOKFX-NWDGAFQWSA-N 326.322 2.870 0 50 EFAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccccn4)nn3C)cc2[nH]1 2325898694 VGICYWUIBHOBPC-UHFFFAOYSA-N 346.394 2.943 0 50 EFAA C[C@H]1C[C@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn21 891940913 UAWKJFBNSMGUIS-WFASDCNBSA-N 347.850 2.713 0 50 EFAA C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCSCC2)c(C)c1 900474716 BJLLRJZXKLNUOH-UHFFFAOYSA-N 347.484 2.521 0 50 EFAA COc1ccccc1/C=C/[C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)C 202264 GVORKDGOPRGWBV-HBWSCVEGSA-N 330.384 2.615 0 50 EFAA COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(OC)cc1Cl 475044 SCRJBRSRHBQGTB-ZJUUUORDSA-N 339.775 2.963 0 50 EFAA CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 615947 RIZRRSNLXBQNLX-UHFFFAOYSA-N 346.452 2.519 0 50 EFAA COCCN1CCC[C@]2(CCCN2Cc2cccc3cc[nH]c23)C1=O 2356134064 WGBJZPWQBPWPPK-FQEVSTJZSA-N 341.455 2.771 0 50 EFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2C)cc1 2815328 IATCKGJZAKEPMT-UHFFFAOYSA-N 333.409 2.892 0 50 EFAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F 3259056 GYBKLVMYZPCLSS-UHFFFAOYSA-N 348.399 2.863 0 50 EFAA CCc1ccc(CN2CCC(C(=O)NCCN(CC)CC)CC2)cc1 4560047 SGPRALNRGBCJOH-UHFFFAOYSA-N 345.531 2.919 0 50 EFAA CCn1c(SCC(N)=O)nnc1-c1ccc(OCC(C)C)cc1 6741390 ZBWCAQKKCPSJAC-UHFFFAOYSA-N 334.445 2.577 0 50 EFAA COc1ccc(NC(=O)CC(=O)N2Cc3ccccc3C2)c(OC)c1 55401781 GFGFDZXTQAEWQF-UHFFFAOYSA-N 340.379 2.575 0 50 EFAA NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 9498427 SUZVDUMGWUJMHC-UHFFFAOYSA-N 349.184 2.566 0 50 EFAA COc1cccc([C@H]2CCN(c3ncnc4oc(C)nc34)C2)c1OC 55108654 CUTJYXXIDHYUAU-LBPRGKRZSA-N 340.383 2.937 0 50 EFAA CCc1n[nH]c(SCC(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)n1 55384804 STNWXKCQFJYOOO-STQMWFEESA-N 334.489 2.958 0 50 EFAA O=C(c1cnccn1)N1CCc2[nH]nc(CCC3CCCCC3)c2C1 23398140 QFOGIGBROUZLTJ-UHFFFAOYSA-N 339.443 2.911 0 50 EFAA COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c(F)c1 67742967 IQEAVRMVVQIJNS-UHFFFAOYSA-N 330.319 2.640 0 50 EFAA CCn1c([C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)nn(C)c1=O 67965030 QEWAYKHQEGEGCR-ZDUSSCGKSA-N 349.504 2.561 0 50 EFAA O=C(NC[C@]1(CCO)CCOC1)c1cc(C2CC2)nc2ccccc12 119310340 JGIXMKQONUWTDK-FQEVSTJZSA-N 340.423 2.631 0 50 EFAA O=C(N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1ccc(-c2nnc(S)o2)cc1 248763664 YZODDNNXQAXDOF-QSLWVIQJSA-N 327.409 2.800 0 50 EFAA O=C(c1cccc2[nH]ncc12)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348241542 JJAFUAWDPPPGPD-PIGZYNQJSA-N 343.333 2.789 0 50 EFAA O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccn(C2CCCCC2)n1 329977036 FUELFMOCWFMRIO-QGZVFWFLSA-N 338.411 2.534 0 50 EFAA CC(C)(C)c1nnc2ccc(N3CCC[C@H]3C3CCOCC3)nn12 330024315 AHDXTJJQLRJRCY-AWEZNQCLSA-N 329.448 2.817 0 50 EFAA CC(C)[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CCCO1 331420830 HRMVJJIZOFANQP-LLVKDONJSA-N 334.342 2.718 0 50 EFAA O=C(NC1CCC(N2C(=O)CCC2=O)CC1)[C@@H]1C[C@@H]1C1CCCCC1 127319018 XYSYMAOWDRHSJW-BHUNQDJPSA-N 346.471 2.779 0 50 EFAA O=C(Cc1noc2ccc(F)cc12)N1CC2(CCOCC2)[C@H]1C1CC1 333232089 YMAICYVVQADVLV-GOSISDBHSA-N 344.386 2.927 0 50 EFAA COC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCNCC2)cc1 237116323 CGALVDIUDQBKQR-UHFFFAOYSA-N 338.407 2.733 0 50 EFAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)CCn3cccc3)C2)cc1 72480443 CAODXEHHDVXUHK-INIZCTEOSA-N 326.396 2.668 0 50 EFAA CCCn1nccc1NC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 454337093 ZXDOCQHLSHNBNI-LBPRGKRZSA-N 347.385 2.641 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)c3csc(-c4cccs4)n3)C2)O1 72123927 XKKUXEFDCVSMQS-HNNXBMFYSA-N 349.437 2.586 0 50 EFAA Cc1c(C(=O)N2CCC[C@@H]2c2ccsc2)nnn1C1CCNCC1 151574111 HBUAQHZDRRCWMZ-OAHLLOKOSA-N 345.472 2.550 0 50 EFAA COCCN(C)c1ccc(CN[C@@H](C)CN2CCCCCC2)cn1 241946698 UNGNJTBWQWYQDC-KRWDZBQOSA-N 334.508 2.518 0 50 EFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1ccc(F)c(F)c1F 252670100 JOJDJABPSYBTDT-ZFIUTFFNSA-N 342.317 2.813 0 50 EFAA Cc1cnn(C[C@@H]2CCCN2CCC(=O)N[C@H](C)c2ccccc2)c1 253599350 INNNXRHIKPDDCH-MJGOQNOKSA-N 340.471 2.923 0 50 EFAA Cc1cc(C)n2ncc(CN3CCN(C4CCCCC4)CC3)c2n1 215317241 AIVDEDUGRAKQTE-UHFFFAOYSA-N 327.476 2.796 0 50 EFAA NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nccc(Oc2ccccc2)n1 365123029 NCVYVAJUDQTNEP-KBMXLJTQSA-N 338.411 2.892 0 50 EFAA CCOc1cccc([C@@H](C)NC(=O)N2CC(F)(F)C[C@@H]2CO)c1 368713380 VISIZYRWENVUNA-DGCLKSJQSA-N 328.359 2.558 0 50 EFAA c1cncc(COc2ccccc2CN2CCC[C@H]2Cn2cncn2)c1 369391449 NCALGXCCZPSPLA-IBGZPJMESA-N 349.438 2.917 0 50 EFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(C(=O)O)n1)[C@H]2C 262904677 XZEIRKJFTLEBQP-NEPJUHHUSA-N 340.379 2.936 0 50 EFAA COc1cc(C(=O)N2CCC(OCc3cccnc3)CC2)ccc1O 77470171 QXOXDBPNFQWCJO-UHFFFAOYSA-N 342.395 2.617 0 50 EFAA Cc1ccc(C(=O)N[C@H]2CCc3[nH]ncc3C2)cc1Br 176836402 BUJWQDSUZRLBFQ-LBPRGKRZSA-N 334.217 2.768 0 50 EFAA CNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1 40861329 JFSSVCSHPDLFCM-UHFFFAOYSA-N 338.835 2.867 0 50 EFAA in-vitro COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)n1 288961826 AYPLLKRQYUPOHD-HNNXBMFYSA-N 328.416 2.935 0 50 EFAA CCCCc1nc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 179849478 FXOOFJACWQMPSG-LLVKDONJSA-N 330.388 2.594 0 50 EFAA C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@@H](C)O1 180185144 IFHAULGLRVIXGK-QLFBSQMISA-N 337.489 2.704 0 50 EFAA COc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)c(OC)c1 426465355 WVVAKJIWERNSOO-LJQANCHMSA-N 343.423 2.736 0 50 EFAA C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)Oc1cccnc1 426488478 SCWAYGKIKKBVDA-INIZCTEOSA-N 346.475 2.509 0 50 EFAA Cc1nc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cs1 97823652 BXVPDTZHVWOOGW-UHFFFAOYSA-N 338.436 2.895 0 50 EFAA Cn1cnc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)n1 181163209 QPGLGELDOAZTSQ-UHFFFAOYSA-N 348.815 2.936 0 50 EFAA CC(C)c1ccc(NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1 181433185 NGPVCBHNMTYFTO-JKSUJKDBSA-N 333.432 2.567 0 50 EFAA CN(CCCc1nccn1C)C(=O)c1ccc([C@H]2CCCNC2)cc1 95361349 WBEIMDRLZQNGOS-SFHVURJKSA-N 340.471 2.592 0 50 EFAA CC1(C)C[C@@H](NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)CCO1 296632949 VTMILWQNXZTYDA-ZDUSSCGKSA-N 333.432 2.754 0 50 EFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(c1ccc(Cl)cn1)C2 91620660 ZLGRJHHDKFHEFK-SFHVURJKSA-N 349.862 2.733 0 50 EFAA CC(=O)c1cccc(O[C@H](C)C(=O)NC2CCN(C3CCC3)CC2)c1 297119230 JUYNXSVTVMKSPV-OAHLLOKOSA-N 344.455 2.790 0 50 EFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cn1 182655167 SMBDXSASTJJTQH-UHFFFAOYSA-N 346.749 2.897 0 50 EFAA O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc2ccccc2o1 183059190 HHLDMZRXMCZARA-HNNXBMFYSA-N 335.363 2.753 0 50 EFAA C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1F 298507503 AYNFVAZAPVFSGT-UTUOFQBUSA-N 345.411 2.632 0 50 EFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1coc(Br)c1 299388462 ZNDSTUZYBGNKLG-LSJOCFKGSA-N 342.189 2.900 0 50 EFAA CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCCO2 184796837 VUPHRZJVNUSIHU-RDJZCZTQSA-N 333.428 2.710 0 50 EFAA O=C(NC1(C(=O)O)CCCC1)[C@H](c1ccc(F)cc1)N1CCCCC1 252491953 MAFADDKWWXYSRP-INIZCTEOSA-N 348.418 2.866 0 50 EFAA O=C(NCc1nc(-c2ccccc2Cl)no1)N1CCSCC1 534642990 LULPAQKZOFKXJP-UHFFFAOYSA-N 338.820 2.648 0 50 EFAA CC[C@@H](NC(=O)CSc1nnc(N)s1)c1nc(C)c(C)s1 299766763 RUZLLVRFZGGZCZ-MRVPVSSYSA-N 343.503 2.553 0 50 EFAA COCC1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299795517 ONFLRPUWZPQCJB-KSZLIROESA-N 328.456 2.755 0 50 EFAA CCc1n[nH]c2c1CN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)CC2 299764864 URDRWOLYFOVYHI-LLVKDONJSA-N 326.400 2.886 0 50 EFAA O=C(NCc1ccnc(-n2cncn2)c1)N[C@@H]1CCCc2ccccc21 868877796 QVXOTODHQDGDHT-QGZVFWFLSA-N 348.410 2.539 0 50 EFAA C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCO1 271449701 HOXSYGANMGZQMI-UWWQBHOKSA-N 334.435 2.721 0 50 EFAA Cc1ccn(-c2ccccc2C(=O)N2CCC[C@H]([C@@H]3CCNC3)C2)n1 1875287401 IPKQROFPBUPNOS-SJORKVTESA-N 338.455 2.642 0 50 EFAA CN(C[C@@H]1CCCOC1)C(=O)NCc1cc2ccccc2nc1O 1875278486 FAFOUFDFBLTYSW-ZDUSSCGKSA-N 329.400 2.508 0 50 EFAA CN(Cc1ccc(N(C)C)nc1)C(=O)c1cc(-c2ccccc2)[nH]n1 1875253053 VPDKVLJKMMATMH-UHFFFAOYSA-N 335.411 2.810 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]1CCC[C@H]1C1CCNCC1 1875393248 BOUWCBVVOQIHGM-BXWFABGCSA-N 342.487 2.695 0 50 EFAA CCc1nccn1CCC(=O)NCc1cc2c(cc1OC)CCC2 952991020 YQJQPTNHWAXCGF-UHFFFAOYSA-N 327.428 2.649 0 50 EFAA Cc1ccsc1C(=O)NCC1CCN(C(=O)C2CC=CC2)CC1 952167262 MIKJTARZDPEGRW-UHFFFAOYSA-N 332.469 2.991 0 50 EFAA COc1cccc2c(C(=O)NCC[C@H]3CCC(C)(C)CO3)cnn12 887409970 CNWOGUIWDREXHQ-CYBMUJFWSA-N 331.416 2.668 0 50 EFAA COc1ccc2nc(N3C[C@H](OC)C[C@@H]3c3ncc[nH]3)c(C)nc2c1 888077435 BDJHDCHMNOLEMB-CZUORRHYSA-N 339.399 2.636 0 50 EFAA O=C(CCCn1ccccc1=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 888824001 YSHDTKMGKNFEBV-JXFKEZNVSA-N 337.423 2.561 0 50 EFAA O=C1CC(c2cccc(NCc3cccc4[nH]ncc34)c2)CC(=O)N1 1308772278 QUZVTTGJEZUHMJ-UHFFFAOYSA-N 334.379 2.695 0 50 EFAA COc1cc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)ncn1 1335064728 PZDHWYFDLMQTQC-UHFFFAOYSA-N 325.372 2.842 0 50 EFAA O=S(=O)(NCCn1ccc(C2CC2)n1)C1=Cc2ccccc2CC1 1775992241 YGZTXHHOLUTFMH-UHFFFAOYSA-N 343.452 2.667 0 50 EFAA c1cc(N2CCCN(c3ccnc(-c4nccs4)n3)CC2)ccn1 1352065946 IRIUUFRYJNWCKT-UHFFFAOYSA-N 338.440 2.712 0 50 EFAA CC(C)NS(=O)(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 272211032 QCQKIIKJPSTSLG-CYBMUJFWSA-N 346.880 2.674 0 50 EFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cc(C(C)(C)C)on2)o1 275536666 ZEWNEHQUNKYJKH-GFCCVEGCSA-N 348.403 2.692 0 50 EFAA COc1ccc(Nc2cc(NCC3(O)CCC3)ncn2)c(OC)c1 170591249 NVEMALIYEYZOMF-UHFFFAOYSA-N 330.388 2.564 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cccc3[nH]cnc23)c1 282468464 LFCHAVFBHOFGHC-GUYCJALGSA-N 337.379 2.520 0 50 EFAA C[C@H](NC(=O)NCCN1CCCOCC1)c1c(F)cccc1Cl 187267151 IFUKSZMVNKRJKS-LBPRGKRZSA-N 343.830 2.562 0 50 EFAA COCCCN(C(=O)c1ccnnc1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 408515863 RBEOKXJKUAIQAR-RSJGLCBASA-N 329.444 2.780 0 50 EFAA Cc1cnccc1CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 188260809 LDNVMMHMLOVQTH-JKSUJKDBSA-N 329.400 2.781 0 50 EFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCC=Cc2ccccc21 188241327 PGSMHWUSJNAMBW-IYBDPMFKSA-N 338.407 2.612 0 50 EFAA COC(=O)c1cc(C)nc(N(Cc2ccco2)Cc2ccco2)n1 225537825 SZCPISGATKCPOU-UHFFFAOYSA-N 327.340 2.964 0 50 EFAA Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H]1c1ccncc1 225847401 MLFSSMCLOLOLMY-GOSISDBHSA-N 334.423 2.778 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 189082151 PFRZUYHQPZIZPR-REWJHTLYSA-N 347.440 2.840 0 50 EFAA Cc1cc(C(=O)NCCN2CCc3ccccc3C2=O)sc1C 190152409 UGWSUMLSDPRLBI-UHFFFAOYSA-N 328.437 2.793 0 50 EFAA CC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)C3CCCCC3)ccc21 190458489 CYDLCQQPWFLAAO-HXUWFJFHSA-N 344.455 2.657 0 50 EFAA CCN(CC)C(=O)CCC1CCN(c2ncnc(N)c2Cl)CC1 192353954 WMAYZMOIRWWVBS-UHFFFAOYSA-N 339.871 2.577 0 50 EFAA c1ccc(-c2nc(-c3cnccn3)no2)c(COC2CCOCC2)c1 193217148 WMGOBMLXRRMCML-UHFFFAOYSA-N 338.367 2.889 0 50 EFAA CN(C)c1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cc1F 652051866 UETHJQOJKSFOJB-GFCCVEGCSA-N 336.388 2.899 0 50 EFAA CSCc1ccc(N2C(=O)N[C@@H](Cc3ccncc3)C2=O)cc1 771973639 ISPWSHLUWYSHLM-HNNXBMFYSA-N 327.409 2.612 0 50 EFAA CCCc1nc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC)C2)cs1 216922466 JYKJVUJDBQXRJH-HIFRSBDPSA-N 349.500 2.959 0 50 EFAA CCO[C@@H](C)n1nc(Br)c(C=O)c1Br 115696167 COCAEGZVBRDLIL-YFKPBYRVSA-N 325.988 2.776 0 50 EFAA COc1ccc(CCC(=O)N2CCC3(CC2)CO[C@@H](C)C3)cc1O 1772712894 UEAWJDWGEIQZBL-AWEZNQCLSA-N 333.428 2.751 0 50 EFAA Cc1oc(-c2cccs2)nc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772708069 CYHLEVZVLVNOFC-CXAGYDPISA-N 334.441 2.542 0 50 EFAA COc1ccc(N[C@H]2CCCN(C(=O)CCSC)C2)cc1OC 12074705 CCPYJPIAAMWFBJ-AWEZNQCLSA-N 338.473 2.860 0 50 EFAA O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccnc1 12149316 SKNRSPMSCLXHOA-QGZVFWFLSA-N 327.403 2.892 0 50 EFAA O=C(CC1CCOCC1)N1CCC([C@H](O)Cc2ccccc2)CC1 19300775 HZCQVTMLHUMOHK-LJQANCHMSA-N 331.456 2.645 0 50 EFAA CC(=Cc1ccccc1)CN[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 1857532063 VHHAIGVCFYPPKN-IEBWSBKVSA-N 338.455 2.775 0 50 EFAA Cc1cccc(Cl)c1S(=O)(=O)Nc1cc2n(n1)CCCC2 333934561 IQAHQNXPPGWENP-UHFFFAOYSA-N 325.821 2.982 0 50 EFAA COC(=O)Cc1occc1C(=O)N(C)c1ccc(OC)c(Cl)c1 241383334 MUIYAHYWWUBOGU-UHFFFAOYSA-N 337.759 2.934 0 50 EFAA COc1ccc(-c2cc(N(C)Cc3ccc(OC)nn3)n[nH]2)cc1 330032686 QWFWSFBTTMAHOJ-UHFFFAOYSA-N 325.372 2.520 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cccc(-n2cccn2)c1 237942449 ZGTBHYZEFAVJGC-HNNXBMFYSA-N 327.384 2.732 0 50 EFAA Cc1cc(Br)cc(C(=O)N2CCC(c3nnc[nH]3)CC2)c1 129074235 NRBFWHLRTSXASG-UHFFFAOYSA-N 349.232 2.895 0 50 EFAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 240333625 FEKUXIMUHPTSNZ-DMRKSPOLSA-N 344.459 2.624 0 50 EFAA COc1ccc(Cl)cc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337255911 NCNHNBCTONGTOV-OAGGEKHMSA-N 325.836 2.710 0 50 EFAA CS(=O)(=O)c1cccc(Br)c1N[C@@H]1C[C@H]2CC[C@H]1O2 252491494 LNKPZMXVKHWXHI-FBIMIBRVSA-N 346.246 2.584 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@@H]2CCN(c3ccccc3)[C@H]2C)n1 252506085 VXXNWJUTFLKMAE-SWLSCSKDSA-N 328.416 2.823 0 50 EFAA Cc1c(C)c(C)c(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)c1C 158727243 CQSSQKXLZMTLQV-MRXNPFEDSA-N 331.460 2.649 0 50 EFAA Cc1cccc(Cn2cc(CC3(O)CCC3)nn2)c1Br 900607101 GLPSQSFRGNMHAH-UHFFFAOYSA-N 336.233 2.855 0 50 EFAA Cc1c(NCc2cn(C(C)(C)C)nn2)nnn1-c1ccc(F)cc1 1658144360 MUSBBMADTLYJTH-UHFFFAOYSA-N 329.383 2.673 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3ccc4cc(O)ccc4c3)C[C@@H]12 1704340093 UEVYESWPSCANNG-NHCUHLMSSA-N 340.467 2.824 0 50 EFAA CCOc1cccc(CC(=O)N2Cc3cnn(-c4ccccc4)c3C2)n1 819371539 QOVFOOSUMLDPQI-UHFFFAOYSA-N 348.406 2.751 0 50 EFAA C[C@@H]1c2ccccc2C[C@H]1C(=O)NCc1ccccc1Cn1cncn1 2325792425 AKYSSKSQTRSFIS-FOIQADDNSA-N 346.434 2.919 0 50 EFAA C[C@@]1(c2cccc(OCc3ccc(Cl)cc3)c2)NC(=O)NC1=O 78294 HTKHLWOQCQKQLW-KRWDZBQOSA-N 330.771 2.974 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1 79660 NANVRRCGNBSVCD-UHFFFAOYSA-N 346.408 2.907 0 50 EFAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 399896 WQSVPNCEEDIWAR-UHFFFAOYSA-N 339.804 2.940 0 50 EFAA COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 448667 NYQKHEWPHXVTHY-UHFFFAOYSA-N 333.409 2.672 0 50 EFAA O=C(O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2)cc1 9305415 IWAIQBDRMPWUHW-UHFFFAOYSA-N 330.731 2.593 0 50 EFAA CCCNC(=O)CSC1=N/C(=C/c2ccc(F)cc2)C(=O)N1CC 2184420 IYIKMZGINDKKRJ-GXDHUFHOSA-N 349.431 2.644 0 50 EFAA FC(F)Oc1ccc([C@@H]2CN(c3ncnc4n[nH]cc34)CCO2)cc1 345146395 HYAILBMUTUVERA-ZDUSSCGKSA-N 347.325 2.532 0 50 EFAA COc1cccc([C@@H]2CCN(C(=O)Nc3nc(C)ns3)C2)c1OC 20451433 CVZGUFZJPBKVTJ-LLVKDONJSA-N 348.428 2.885 0 50 EFAA O=C(CCCn1cncn1)Nc1ncc(Cc2cccc(F)c2)s1 54773293 XAFZESCZZXIGFK-UHFFFAOYSA-N 345.403 2.883 0 50 EFAA CCCC(=O)Nc1cc(C(=O)NCC[C@H]2CCCN2C)ccc1C 55368849 GRPKYDXOWZSOND-MRXNPFEDSA-N 331.460 2.948 0 50 EFAA C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CCc2c(Cl)cccc21 134943799 SBOIRLHOQCVJNZ-MQIPJXDCSA-N 338.835 2.509 0 50 EFAA Cc1csc(CCCNC(=O)Cn2c(C)nc3ccccc32)n1 170660268 UCAPEGCFFREPBK-UHFFFAOYSA-N 328.441 2.859 0 50 EFAA Cc1cc(CN[C@H]2CCCN(c3nccnc3O)C2)ccc1Cl 328640790 QENHHRUYKGLYGC-AWEZNQCLSA-N 332.835 2.903 0 50 EFAA Nc1ccnc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 67833697 KDZDXPMUDDTBHW-UHFFFAOYSA-N 338.390 2.972 0 50 EFAA Cc1nc(S)sc1CC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 123719664 MBDHIZLQRDVUIM-UHFFFAOYSA-N 347.465 2.550 0 50 EFAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)C1 329893337 JLOPFYHOHSQUOC-JYYAWHABSA-N 333.476 2.803 0 50 EFAA CNc1nc(C)cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 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Cc1ccc([C@]2(C)NC(=O)N(Cc3nc4c(C)ccnc4[nH]3)C2=O)cc1 129834134 NMAVGLNVHROAFB-IBGZPJMESA-N 349.394 2.542 0 50 EFAA O=C(NCc1ccno1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 351912329 HPDSMPCLEGKHGY-UHFFFAOYSA-N 336.273 2.809 0 50 EFAA CCc1nc(C)sc1C(=O)NC1CCN(CCSC)CC1 215671795 CPBBGCQVTZOOHN-UHFFFAOYSA-N 327.519 2.571 0 50 EFAA CNc1cc(C)nc(N[C@H]2CCCN(CCc3ccccc3)C2)n1 72468611 OAROLNUIMXEFDR-KRWDZBQOSA-N 325.460 2.946 0 50 EFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCC(=O)NC1 77407867 ZILWEWLHSUQUGJ-MRXNPFEDSA-N 338.407 2.964 0 50 EFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 252477387 MXLQOGUWYMZIQA-QOTRURMSSA-N 343.475 2.799 0 50 EFAA CCO[C@@H](C)c1ncc(C(=O)NCCc2cccnc2OC)s1 355645752 GLNKVBFHMGBTHR-NSHDSACASA-N 335.429 2.617 0 50 EFAA CNC(=O)c1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 253395185 PMTMXPDVOQGKJL-YJBOKZPZSA-N 346.377 2.632 0 50 EFAA Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@H]3O)ccc2n1 253396581 PIOLYLOXJJPDKB-QXAKKESOSA-N 340.423 2.545 0 50 EFAA Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 72121847 MMPULCCBKYYSTO-LJQANCHMSA-N 345.487 2.781 0 50 EFAA CN(Cc1ccc2nsnc2c1)Cc1nc(-c2ccncc2)no1 77437372 HNWDYGLZGWTRAA-UHFFFAOYSA-N 338.396 2.768 0 50 EFAA Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 370483568 KOVFZVVWGQEFDO-MRXNPFEDSA-N 349.438 2.728 0 50 EFAA Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc([S@@](C)=O)cc3)C2)c1 175794981 LHMPULBQHUFENW-IZHWHUGBSA-N 346.456 2.798 0 50 EFAA CCc1nnc([C@H]2CN(c3ncc(Cl)cc3Cl)CCO2)o1 287683050 JODCWYYEZAMIKH-SNVBAGLBSA-N 329.187 2.912 0 50 EFAA COc1cccc(N2CCN(C(=O)C3C(C)(C)C3(C)C)CC2=O)c1 82126501 ACMKWZJFZPKETA-UHFFFAOYSA-N 330.428 2.553 0 50 EFAA CN1CCc2ncnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)c2C1 222192543 JMCVMHOSPBYMPZ-QGZVFWFLSA-N 344.846 2.696 0 50 EFAA Cc1cccc(NC(=O)[C@H]2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)c1 161358245 YMYSDXCGENQVBP-WMLDXEAASA-N 336.391 2.550 0 50 EFAA O=C(NCc1cnn2cccnc12)c1csc(-c2cccs2)n1 82099107 FQZSLXDYDVVDFG-UHFFFAOYSA-N 341.421 2.844 0 50 EFAA CC(C)c1noc([C@H]2CCCN2C(=O)c2cnn3ccccc23)n1 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2.811 0 50 EFAA CCN(C)C(C)(C)CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 534639217 ZYPUVUIUIJERQN-UHFFFAOYSA-N 335.427 2.574 0 50 EFAA CC(=O)N(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccn1 299791940 HDRZGMOBTHXFNF-LJQANCHMSA-N 326.396 2.798 0 50 EFAA CCNc1nc(C)c(C(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)s1 807876655 YUWYVWJLKZPJLT-VDQHWBOFSA-N 335.473 2.697 0 50 EFAA O=C(NCc1coc(-c2ccccc2)n1)c1cnc(C2CC2)nc1O 828198616 YQMODKVCYKAVCJ-UHFFFAOYSA-N 336.351 2.645 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CCOc3ccc(F)cc32)C1 271527039 REVCRQFNLSGGQW-GZBFAFLISA-N 327.421 2.595 0 50 EFAA Cc1cscc1C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 952994384 OQVFVUFPXQIPNF-SECBINFHSA-N 344.362 2.703 0 50 EFAA C[C@]1(NC(=O)c2ccc(OCC(=O)O)cc2)C[C@@H]1c1ccccc1 1875304480 LMSRPEKIQBEPCW-APWZRJJASA-N 325.364 2.826 0 50 EFAA O=C(NCc1c[nH]nc1-c1ccccc1)c1cccc2c1OCCO2 1875356492 MIWOJKWTEYTYOP-UHFFFAOYSA-N 335.363 2.778 0 50 EFAA CCn1nc2c(c1C(=O)N1CC(Cc3ccoc3)C1)C[C@H](C)O[C@@H]2C 1875314151 JTOYBRVBUIWECP-QWHCGFSZSA-N 343.427 2.833 0 50 EFAA CSc1ncc(CNCc2cnn(-c3cccc(C)c3)c2)n1C 952867289 LZYANJYLMZPPSB-UHFFFAOYSA-N 327.457 2.926 0 50 EFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc(OC2CCCC2)c1 887016055 GNARLLLIIVXHHC-QZTJIDSGSA-N 345.439 2.668 0 50 EFAA CC1=C(C(=O)NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)CCC(C)(C)C1 888098793 UMOZDNRIPHBTDF-SQWLQELKSA-N 346.475 2.610 0 50 EFAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)o1 1775959154 KVKKXYIMDXYWGL-RGCMKSIDSA-N 333.432 2.505 0 50 EFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(Cc3ccsc3)C[C@@H]21 1565529949 WQRTXGXCRZIGJG-YJBOKZPZSA-N 345.420 2.820 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)c2ccc(Cl)s2)o1 275341667 KURHVOZPOPZRIA-WPRPVWTQSA-N 341.820 2.797 0 50 EFAA Cc1cccc([C@H](CNc2nnc(C3CC3)o2)N2CCOCC2)c1 275963105 DRNVQLTXMVCSLV-INIZCTEOSA-N 328.416 2.741 0 50 EFAA C[C@@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)[S@](C)=O 170593654 HOTZCQMOYIVVQZ-NPMABZOXSA-N 336.501 2.819 0 50 EFAA Cc1sc2nc([C@@H](C)N3CC(=O)N(CC4CC4)C3)nc(O)c2c1C 279138562 XBBSHTBLVWMRMJ-SNVBAGLBSA-N 346.456 2.586 0 50 EFAA COC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 279318471 CICRUGWNKZFEIX-STQMWFEESA-N 333.306 2.509 0 50 EFAA C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 188272862 VHCKZHFTXJUJDU-BXUZGUMPSA-N 335.249 2.576 0 50 EFAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1N1CCCCC1 225467390 UVFTXCVEMRORKI-GJZGRUSLSA-N 344.459 2.843 0 50 EFAA COCCn1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)n1 189737329 IOCBBXFUQRQPHT-INIZCTEOSA-N 328.416 2.626 0 50 EFAA Cc1nc(O)c2c(n1)CN(c1nc(C)nc3sc4c(c13)CCC4)C2 641690849 VCRBJDIVEZKLMY-UHFFFAOYSA-N 339.424 2.813 0 50 EFAA CNc1cc(N2CCC[C@@H]2CN[C@@H]2CCCc3occc32)ncn1 192983014 AUGJNCIHQCDGFW-UKRRQHHQSA-N 327.432 2.747 0 50 EFAA Cn1cc(CNc2nnc(-c3nccn3C)o2)c(C2CCCCC2)n1 195029094 BVIIWYSVRXJQDI-UHFFFAOYSA-N 341.419 2.863 0 50 EFAA CO[C@H]1CC[C@@H](C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)C1 667814377 PEAFGMHLJCPWKU-PBHICJAKSA-N 339.395 2.509 0 50 EFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccc(Cl)s3)C[C@@H]12 1529174441 SISKUPMKRYMFOC-DOMZBBRYSA-N 328.865 2.772 0 50 EFAA CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CCCC3=O)c3cc(F)cc1c32 1740816470 HJONAAYVZVBSEP-YJYMSZOUSA-N 329.371 2.925 0 50 EFAA O=C(c1cc2ccccc2cn1)N1CCCN([C@@H]2CCSC2)CC1 1772815706 UCLIUWYOSWPNOT-QGZVFWFLSA-N 341.480 2.888 0 50 EFAA O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(C2CCCC2)C1 11933138 FZBWVPQYDRLAKV-AWEZNQCLSA-N 348.418 2.502 0 50 EFAA O=C1OCC2=C1[C@@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCO3 13598767 BOVAFWYGUCKIPR-INIZCTEOSA-N 325.295 2.923 0 50 EFAA CCCS(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14981628 ATQVMEIMECDKGT-LBPRGKRZSA-N 337.445 2.580 0 50 EFAA O=C1CN(S(=O)(=O)Cc2ccccc2Cl)c2ccccc2N1 16579491 RRYNLARFUASNMO-UHFFFAOYSA-N 336.800 2.629 0 50 EFAA Cc1ccc(C2(c3noc(CN4CCN(C)CC4)n3)CCCC2)cc1 19219907 WPMJVUDXPZRSTE-UHFFFAOYSA-N 340.471 2.986 0 50 EFAA COc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1C 19619275 CCZVCRGIZMSEEN-UHFFFAOYSA-N 344.436 2.763 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1[C@](CC)(C(=O)O)C2 1857672676 WRFLCZZEWLXQJJ-ZSZQSSIHSA-N 347.459 2.959 0 50 EFAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)CC[C@H]1N 1857733316 DYDUSFLQEGVKPY-POZUXBRTSA-N 343.471 2.749 0 50 EFAA C[C@@H]1C[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1 225485666 DRPZZEDTKWMOIE-OLZOCXBDSA-N 326.400 2.594 0 50 EFAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC1CCCCCC1 4839731 LZVZXIOBKNRPDY-KRWDZBQOSA-N 335.444 2.950 0 50 EFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cc1ccc(F)cc1 328633961 SXZHQBCNUJVKBW-PXNSSMCTSA-N 341.430 2.915 0 50 EFAA COc1ccc(CN(C(=O)N2CCOCC2)[C@H](C)C2CC2)c(OC)c1 328765190 AMBMJZQZAYAGIR-CQSZACIVSA-N 348.443 2.757 0 50 EFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCc2cccc(Cl)c2C1 333899962 SMGKADWHPLBWIN-LBPRGKRZSA-N 330.819 2.688 0 50 EFAA Cc1noc([C@@H](NC(=O)N2CCN(C)c3ccccc3C2)C(C)C)n1 240407358 FLQDRAYFTAIAGU-INIZCTEOSA-N 343.431 2.737 0 50 EFAA Cc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1 130964438 UTMSEULQNHDVLM-UHFFFAOYSA-N 329.469 2.647 0 50 EFAA C[C@H](C[S@@](C)=O)NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 253394231 ADMJWVWERRRWOZ-OFWYVSERSA-N 332.469 2.783 0 50 EFAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1cncc(C)c1)CCO2 253429193 CDVNXILAEVWNFR-UHFFFAOYSA-N 326.352 2.606 0 50 EFAA C[C@H]1C[C@H](CCNC(=O)N2CCCN(C3CCCC3)CC2)CCO1 253426819 BCIWFPSBXJYEOD-DLBZAZTESA-N 337.508 2.852 0 50 EFAA CN1CC[C@@H](CNCc2cnc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 375267857 LBAUNJVXMLQOBM-ROUUACIJSA-N 339.487 2.952 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1 263572199 KPNCHLNFAQXQJF-QGZVFWFLSA-N 347.411 2.575 0 50 EFAA C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1c(F)cccc1F 162014111 YDEPCGXGRYYXFT-GFCCVEGCSA-N 348.349 2.646 0 50 EFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)cc2)N1 34792439 YCCPHMBIMIJBPW-MSOLQXFVSA-N 336.391 2.953 0 50 EFAA biogenic,in-vitro O=C(O)[C@H](NC[C@H]1CCCOC1)c1ccccc1Br 905399835 HDEMNHCCKWJOCM-ZWNOBZJWSA-N 328.206 2.591 0 50 EFAA O=C(O)c1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)o1 1140946441 JQYJAJBYVCTTBW-UHFFFAOYSA-N 332.375 2.825 0 50 EFAA Cn1ncc(Br)c1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 343645461 XTZSDWQTKAFDOF-LNSITVRQSA-N 342.281 2.698 0 50 EFAA Cn1ncc(Br)c1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 343645463 XTZSDWQTKAFDOF-NJZAAPMLSA-N 342.281 2.698 0 50 EFAA COc1ccc(NC(=O)OCC23CO[C@@]4(C)CC[C@](C)(OC2)N34)cc1 19933586 KTBKHIRMWPCNOP-IRXDYDNUSA-N 348.399 2.571 0 50 EFAA Cc1cc(F)c2c(c1)N[C@H](C(=O)NCC1(CO)C[C@@H]3CCC[C@H]3C1)C2 2325863168 YDNPIBKCYAPWCJ-DEYYWGMASA-N 346.446 2.776 0 50 EFAA O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1cncc(O)c1 2325866430 KQDDBNMUCKZFRK-UHFFFAOYSA-N 336.351 2.502 0 50 EFAA O=C(NCc1csnn1)c1c[nH]c2ccc(Br)cc12 2325872313 RJLOUCZAYBKFKS-UHFFFAOYSA-N 337.202 2.712 0 50 EFAA CC(C)c1nc2ccccn2c1NC(=O)N[C@H]1CCn2ccnc2C1 933760940 ZYUIFQSSTDTUKM-ZDUSSCGKSA-N 338.415 2.791 0 50 EFAA O=C1Cc2cc(-c3csc([C@H]4CN5CCC[C@H]5CO4)n3)ccc2N1 2332237288 RDOKCFXJDNETDL-XJKSGUPXSA-N 341.436 2.840 0 50 EFAA COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1 124227432 RTYQJKVQMAGSCA-UHFFFAOYSA-N 344.390 2.892 0 50 EFAA COC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 487807 HRXBDFBHZFNGRK-UHFFFAOYSA-N 346.335 2.718 0 50 EFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4c3COC4)C1)CC2 2356141770 OYTIPLYLDQZMMM-NRFANRHFSA-N 349.434 2.935 0 50 EFAA CCCc1nc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cs1 2356168482 FXUZCBMHDGZRHN-SFHVURJKSA-N 347.484 2.855 0 50 EFAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)(C)C 4413175 NCICDOOVMCMRIF-UHFFFAOYSA-N 334.441 2.866 0 50 EFAA Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1 4840609 IMDLGKZTIRPJRV-UHFFFAOYSA-N 329.381 2.524 0 50 EFAA COc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1Cl 4954221 ARSCQRXFKSKCNT-UHFFFAOYSA-N 349.726 2.997 0 50 EFAA Cn1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c(C(C)(C)C)n1 121934545 JALKIPOBSDJNKL-UHFFFAOYSA-N 344.390 2.994 0 50 EFAA CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](COC)C2)CCN1C(=O)OC(C)(C)C 328593721 AYPMJELLZYRHFL-QLFBSQMISA-N 340.464 2.517 0 50 EFAA CCSc1nnc(NC(=O)CSc2nc(C)c(C)o2)s1 8334034 SLGGKYDUHZXUGQ-UHFFFAOYSA-N 330.460 2.986 0 50 EFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc3ccccc23)CC1 8477093 AAAYCIJYEYSUGY-UHFFFAOYSA-N 346.452 2.840 0 50 EFAA Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2ccccc2C)c(=O)n1 55401219 DEPUJADXCJORKO-SFHVURJKSA-N 339.439 2.922 0 50 EFAA C[C@H]1CCCN(CN2C(=O)C(=O)c3cc(Br)ccc32)C1 55568564 JJTMZFYLNUEQBE-JTQLQIEISA-N 337.217 2.668 0 50 EFAA COc1cccc(N2CCN(CC(=O)NC3CCCCCC3)CC2)c1 55060354 RVISMUOGALEDSQ-UHFFFAOYSA-N 345.487 2.656 0 50 EFAA C[C@@H](C(=O)NCc1c(F)cccc1OC(F)F)c1ccnn1C 421505717 OSOFYUMJNKCEEP-SECBINFHSA-N 327.306 2.581 0 50 EFAA CCc1nc(C)c(C(=O)N2CCC(O)(c3cccnc3)CC2)s1 65455734 TUIJJAIXDWSOGD-UHFFFAOYSA-N 331.441 2.533 0 50 EFAA C[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 229784580 OBKGRJPNTCYUSW-DOTOQJQBSA-N 341.455 2.595 0 50 EFAA COc1ccccc1/C=C/CN1CCCN(C)C2(CCN(C)CC2)C1 67954318 DBUNVNWVUKQMBO-RMKNXTFCSA-N 343.515 2.810 0 50 EFAA COc1ccccc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328638461 WKKXOCDBNJTHOZ-LPHOPBHVSA-N 339.439 2.855 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)C1(Cc2ccccc2)CC1 348031288 UQZWWTHKXUKWQY-IAGOWNOFSA-N 339.439 2.872 0 50 EFAA COC(=O)[C@@H](C)CN(C)C(=O)c1csc(Cc2ccccc2)n1 125710943 HDKUUYHUOWSMHN-LBPRGKRZSA-N 332.425 2.615 0 50 EFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cn1 333068676 GALMDWVEGFWBCQ-DZGCQCFKSA-N 338.386 2.729 0 50 EFAA CC(=O)N[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1ccc(C)cc1 77457444 HRILOQFSSWVKNN-ZWKOTPCHSA-N 326.396 2.641 0 50 EFAA Cc1ncc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 219684172 DEQGTFMBFQFVBA-ITXXBFQVSA-N 348.406 2.575 0 50 EFAA Cc1ccccc1-c1ncc(CN2CCN(c3cnccn3)CC2)cn1 215594939 QSHROMGNNYRELN-UHFFFAOYSA-N 346.438 2.564 0 50 EFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2cccc(F)c2C1 285405771 GZEGCDCURPCNIO-RHSMWYFYSA-N 343.402 2.705 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)Cc3c(F)cccc3Cl)CC2)O1 72174630 DHPTWJZKMVHLNL-MRXNPFEDSA-N 340.782 2.513 0 50 EFAA CCc1cccnc1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 253420995 UBIRXVYVXJQLGJ-UHFFFAOYSA-N 329.444 2.509 0 50 EFAA Cn1cccc(C(=O)N(CCc2ccccc2)Cc2ccccn2)c1=O 216418663 JKNHCHMWLBJKRM-UHFFFAOYSA-N 347.418 2.665 0 50 EFAA O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cc(F)c(F)c(F)c3)cc21 71375995 BDHKGCMFVXJFRC-UHFFFAOYSA-N 336.269 2.564 0 50 EFAA COc1ccc(OC)c(CN(CCO)C(=O)C[C@@H]2CC[C@@H](C)C2)c1 133971003 UWYUHYKKKLWFAV-HUUCEWRRSA-N 335.444 2.851 0 50 EFAA O=C(O)CN(CC(=O)NCCc1cccc(Cl)c1)c1ccccc1 34926520 HUSCEQFEKOLSPK-UHFFFAOYSA-N 346.814 2.590 0 50 EFAA CCOc1cccc([C@H](C)NC(=O)N2CC(F)(F)C[C@@H]2CO)c1 368713381 VISIZYRWENVUNA-WCQYABFASA-N 328.359 2.558 0 50 EFAA O=C(C[C@H]1C=CCC1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 187827180 BTZTYYRNMMNOBQ-JTQLQIEISA-N 346.378 2.562 0 50 EFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 373784568 XTESVTDGIJRUJP-SUMWQHHRSA-N 338.473 2.740 0 50 EFAA Cc1nnc([C@H]2CC23CCN(C(=O)c2cc[nH]c2C2CC2)CC3)o1 375050839 KHSUSWRQJKIRRO-CQSZACIVSA-N 326.400 2.993 0 50 EFAA Oc1ccc(Br)c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1 377710051 ZTFMQSVDIQZUGI-CABCVRRESA-N 342.233 2.535 0 50 EFAA CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](CC(N)=O)C2)cc1 175764062 OBBYEQVSENZCBM-MRXNPFEDSA-N 345.487 2.824 0 50 EFAA Cc1ccc(Oc2ccc(CN3CCN[C@@H](C(=O)O)C3)cc2)cc1C 71749977 JLBXOUPKGNQYJJ-LJQANCHMSA-N 340.423 2.954 0 50 EFAA CN1CC[C@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 72447698 XSHSYZXOUOGLQP-FQEVSTJZSA-N 330.472 2.558 0 50 EFAA Cc1ccccc1N1CCN(C(=O)[C@H](F)c2ccccc2)CC1=O 82161189 JTRMQOPEPWEXMG-GOSISDBHSA-N 326.371 2.881 0 50 EFAA Cc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)n(C)n1 177566566 DHDWZBPDNSOEAC-UHFFFAOYSA-N 326.425 2.825 0 50 EFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1nc(C)sc1C 223768394 LHAVMQGXQKBJGJ-CVEARBPZSA-N 338.473 2.559 0 50 EFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cc(N)ccn2)cc1 426406357 YFHLWSJEBIEUQQ-QGZVFWFLSA-N 325.412 2.972 0 50 EFAA O=C(CCCOc1ccccc1)N1CCN(c2ccccn2)CC1 18221741 UNLWICQMOUCWDM-UHFFFAOYSA-N 325.412 2.589 0 50 EFAA Cc1ccc(CN(CCN(C)C)c2cc([C@@H]3CCOC3)ncn2)cc1 426395938 KEAHLCCZKXTJTR-GOSISDBHSA-N 340.471 2.857 0 50 EFAA C1CCc2c(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)noc2C1 179498464 KYGKUJVOPQCMNW-ZDUSSCGKSA-N 327.432 2.929 0 50 EFAA O=C1CCCc2c(OC[C@H](O)Cn3cnc4ccccc43)cccc21 96028084 IBDNJAMBAMXCEW-CQSZACIVSA-N 336.391 2.995 0 50 EFAA Cc1nc2ccccn2c1CC(=O)N(C/C=C/c1ccccc1)CCO 97529064 CUGDVJQYJAZXMJ-JXMROGBWSA-N 349.434 2.720 0 50 EFAA COc1c[nH]c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1=O 97570806 ISSKYIVCCYPEIR-VIFPVBQESA-N 340.301 2.893 0 50 EFAA CCc1cc(Cl)ccc1NC(=O)NCc1nc(CCOC)no1 97631952 FGIORLCDAPXINB-UHFFFAOYSA-N 338.795 2.796 0 50 EFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCCOCC2)c1 91830031 SWCYAEKENBQIHT-UHFFFAOYSA-N 347.411 2.515 0 50 EFAA CCc1c(C(=O)N(C)Cc2noc(C)n2)cnn1-c1ccc(F)cc1 181027584 KFUWQVFHVFYUAV-UHFFFAOYSA-N 343.362 2.537 0 50 EFAA CN1CCOC[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 230539109 GNXAEKSBPGHVLU-QGZVFWFLSA-N 338.451 2.513 0 50 EFAA CCN(CCn1cccn1)C(=O)[C@H]1CCCCN1Cc1ccccc1 244773915 PIRGIQFXFRPVOK-LJQANCHMSA-N 340.471 2.786 0 50 EFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1 247753160 VROOGVKTXGHINK-YQQAZPJKSA-N 335.419 2.994 0 50 EFAA Cc1csc(CCCNC(=O)Cn2nc(C)c(Cl)c2C)n1 244816940 SRLHLPKLWQGDKG-UHFFFAOYSA-N 326.853 2.667 0 50 EFAA O=C(Nc1ccc(C2CCC2)cn1)N1CCC(F)(F)[C@H](CO)C1 297057710 OAYIFBZTSNBENF-ZDUSSCGKSA-N 325.359 2.831 0 50 EFAA COc1cc2c(cc1OC)CN(C(=O)c1ccc(C(=O)O)s1)CC2 298075868 SSQMFYUILYUGFE-UHFFFAOYSA-N 347.392 2.662 0 50 EFAA Cc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252550119 RZOIBBRPGPPNCO-FCEWJHQRSA-N 338.407 2.567 0 50 EFAA CC[C@@H](NC(=O)N(C)Cc1ccccc1CN(C)C)c1ccnn1C 534639147 IUKMUNJHTAZHBH-QGZVFWFLSA-N 343.475 2.774 0 50 EFAA CCc1nccn1CCC(=O)NCc1nc(-c2ccccc2C)no1 534574409 BDLJXMAJLSYVJD-UHFFFAOYSA-N 339.399 2.510 0 50 EFAA C[C@H](NC(=O)N1CCCN(C)C2(CCN(C)CC2)C1)c1ccccc1 534655118 CJJWJQUJTFPKSD-KRWDZBQOSA-N 344.503 2.559 0 50 EFAA CN(C(=O)Nc1ccccc1OC[C@@H]1CCCO1)C1CCOCC1 299774058 FQFLGLQLBYVXLB-HNNXBMFYSA-N 334.416 2.887 0 50 EFAA CCn1c(C)ccc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1=O 823582576 KTMUBIMEXLIVRG-UHFFFAOYSA-N 337.383 2.522 0 50 EFAA COc1ccc(CN(C)[C@@H](C)c2ccncn2)cc1Cn1cccn1 824722610 BMRONSHINACPPG-HNNXBMFYSA-N 337.427 2.923 0 50 EFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(Cn2cccn2)o1 584884122 HEKJCDPNJGJJEN-INIZCTEOSA-N 337.379 2.600 0 50 EFAA Cn1cc(-c2cc(CN3CCO[C@@H](c4ccsc4)C3)on2)cn1 185023058 ZHTQVUNJJIZPGP-MRXNPFEDSA-N 330.413 2.710 0 50 EFAA COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1occc1Br 271497311 IOTRLGYSMUHPAJ-XPTSAGLGSA-N 344.205 2.894 0 50 EFAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C[C@@H]3C[C@@H]3c3ccccc3)C2)cn1 874051097 OBDSCBZNZLJBST-VUHPKUFZSA-N 339.439 2.714 0 50 EFAA CCc1ncc2c(n1)CN(c1ncccc1C(=O)N1C[C@@H]3CC[C@H]1C3)C2 71268756 RCBUSJMEXBTZJD-HIFRSBDPSA-N 349.438 2.579 0 50 EFAA COC(=O)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cc1 71304190 UPDXTQYJZANVIP-CJNGLKHVSA-N 348.406 2.680 0 50 EFAA O=S(=O)(Cc1noc(C2CC2)n1)N1CCC[C@H](c2ccccc2)C1 952878098 YXFRZBTXCOXWBZ-HNNXBMFYSA-N 347.440 2.656 0 50 EFAA CC1(C)CN(C(=O)C2(CC(=O)O)CCOCC2)[C@@H]1c1ccccc1 952893684 INOSFCMSFKUBLM-MRXNPFEDSA-N 331.412 2.868 0 50 EFAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)C1CC(C(F)(F)F)C1 1875287268 BUUIXDAOXVJMBK-OIKLOGQESA-N 326.318 2.944 0 50 EFAA CC1=C(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)OCCO1 952975201 QITKZFIAKVBICA-LBPRGKRZSA-N 327.384 2.874 0 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CO[C@@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@H]1C 170603479 QLKOMZYQYMRPKH-GDBMZVCRSA-N 343.427 2.943 0 50 EFAA CC1(C)CCN[C@H]1C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 638680883 BVAVBPYOMWTFHU-INIZCTEOSA-N 346.475 2.506 0 50 EFAA COc1ccc(-c2ncc(C(=O)N(C)CC3(CO)CC3)s2)cc1 189139605 DFEKWEJFSSLFBS-UHFFFAOYSA-N 332.425 2.663 0 50 EFAA Cn1cccc1[C@@H]1COCCN1Cc1ccn(-c2ccccc2F)n1 189568516 PZOYBXAJHCJIGZ-IBGZPJMESA-N 340.402 2.923 0 50 EFAA O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H](C(=O)O)C1 225486390 FCUBBJFAPWJXMM-LLVKDONJSA-N 329.377 2.526 0 50 EFAA CN1C(=O)N(c2ccccn2)C(=O)[C@@H]1c1cccc(Br)c1 225559560 UGOQEEYHITZWKZ-ZDUSSCGKSA-N 346.184 2.984 0 50 EFAA Cc1cnc2c(c1)N(C(=O)[C@H](C)NC(=O)CC1CCCCC1)CCO2 189920697 XGIGFHWGQKVNHY-AWEZNQCLSA-N 345.443 2.591 0 50 EFAA CC[C@H](NS(=O)(=O)c1ccc(F)c(OC)c1)c1c(C)noc1C 190807491 HNUWLNAYNJTTJL-ZDUSSCGKSA-N 342.392 2.869 0 50 EFAA COc1ccc2c(O)c(C(=O)N3CC(C)(C)OC(C)(C)C3)cnc2c1 191415304 KBAGHFNNFNDMGS-UHFFFAOYSA-N 344.411 2.979 0 50 EFAA CN(Cc1nccn1C(F)F)C(=O)Cc1ccc2c(c1)CCCO2 648726176 AOILXZZYHDXYGZ-UHFFFAOYSA-N 335.354 2.804 0 50 EFAA CO[C@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1Cc1cc(C)no1 1529119522 JHSPSYJCSFSERG-QAPCUYQASA-N 328.412 2.930 0 50 EFAA O=C(O)C[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 5770625 IOUSJWHTZGQZII-CQSZACIVSA-N 325.320 2.587 0 50 EFAA O[C@H]1CCCN(c2ccc(-c3nc(-c4ccccc4F)no3)cn2)C1 19742029 HURQYNZFWKLCSD-ZDUSSCGKSA-N 340.358 2.899 0 50 EFAA COc1ccc(C(=O)CCC(=O)N2CCOC3(CCCC3)C2)cc1 151271275 VLDXQLYDLPHOOG-UHFFFAOYSA-N 331.412 2.830 0 50 EFAA O=C(O)c1cc(Cl)cc(NC(=O)[C@H]2COc3ccccc3O2)c1 322595267 KWCDQVSIEMYTAZ-CQSZACIVSA-N 333.727 2.817 0 50 EFAA COC(=O)c1ccc(NCc2cc(F)cc(Br)c2)nn1 301130041 ZOQWEMREMSQYGK-UHFFFAOYSA-N 340.152 2.777 0 50 EFAA CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@H]2c2ccccc2)C1 241231024 KRHWVOMQAIOYDW-ULQDDVLXSA-N 330.428 2.917 0 50 EFAA CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2cc3ccccc3o2)C1 132491807 HMDFJFDXPDUZQK-JSGCOSHPSA-N 344.415 2.597 0 50 EFAA Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c1Cl 342778653 MHKPWTFIFZSYLL-UHFFFAOYSA-N 341.772 2.853 0 50 EFAA CC[C@@H](SC)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 344550907 LOYFSQCUQIKPFC-CHWSQXEVSA-N 341.477 2.919 0 50 EFAA Cc1cc(=O)c(-c2noc(-c3cc(C(C)C)[nH]n3)n2)c2n1CCC2 351239456 HHCYJQSSDHGOGK-UHFFFAOYSA-N 325.372 2.666 0 50 EFAA CCOc1nc(C)ccc1C(=O)NCc1ccccc1-n1cccn1 252489162 JIMGRUGVOLOCHF-UHFFFAOYSA-N 336.395 2.904 0 50 EFAA C[C@](O)(CNCc1sncc1Br)c1ccccc1 722774776 UIKRQTQMFWYKRM-ZDUSSCGKSA-N 327.247 2.903 0 50 EFAA Cc1cccc2cc(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)oc12 2325786020 YIBBEYVZNQNGJR-NUEKZKHPSA-N 339.395 2.507 0 50 EFAA CCCN(C(=O)c1csc(-c2ccncc2)n1)C1CCNCC1 2325795179 MHDOCODWTDRSMB-UHFFFAOYSA-N 330.457 2.809 0 50 EFAA Cc1c(C(=O)N[C@H]2CCCC[C@@H]2P(C)(C)=O)cnc2ccnn12 2325796935 GISROTBSZLUZAF-KBPBESRZSA-N 334.360 2.701 0 50 EFAA O=C(CCc1cncnc1)N[C@H]1CCO[C@H](c2cccc(F)c2)C1 2325799380 RRVZHIYNQSSZFO-IRXDYDNUSA-N 329.375 2.585 0 50 EFAA Cc1c(-c2nc(-c3ccc(C(C)C)cc3)no2)nnn1[C@H]1CCNC1 854134101 FNWKBTXXOAHGBC-HNNXBMFYSA-N 338.415 2.961 0 50 EFAA CNCc1cn([C@@H](C(=O)N2CCC[C@H]2CC(C)C)C(C)(C)C)nn1 2325868621 DFKZGFTWBZXVJB-HOTGVXAUSA-N 335.496 2.622 0 50 EFAA CC(C)(C)NC(=O)COc1ccc(CNCc2ccccn2)cc1 360654 FRGFCZYAPCUCGG-UHFFFAOYSA-N 327.428 2.665 0 50 EFAA COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1OC 34575540 VBHQKCBVWWUUKN-BZSNNMDCSA-N 349.471 2.641 0 50 EFAA Cc1cc2c(cc1CN1CCC[C@@]13CCCN(C1CC1)C3=O)OCO2 2356134526 QTLYRLMUOLGXSD-FQEVSTJZSA-N 342.439 2.843 0 50 EFAA Cc1nc2c(C(=O)N3C[C@@H](O)C[C@H]3c3cccc(F)c3)cccc2[nH]1 282892332 WFLWXNGSVGXMTI-YOEHRIQHSA-N 339.370 2.959 0 50 EFAA O=C(c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)N1CCCCC1 101714403 XNABDKYJQGFSNC-CALCHBBNSA-N 340.423 2.992 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](CCO)CC2)c1 421013498 JLOSPOWJDWOVNS-HOCLYGCPSA-N 332.444 2.701 0 50 EFAA CCCC(=O)Nc1ccc(CC(=O)NC[C@H]2CCCC[C@H]2O)cc1 55357800 TXCXJXPKZNCLJE-NVXWUHKLSA-N 332.444 2.635 0 50 EFAA CN1CCC2(CCCN(Cc3ccccc3OCC(=O)O)CC2)CC1 67649305 HUTFWFCCTGACQJ-UHFFFAOYSA-N 346.471 2.848 0 50 EFAA CCOCCN1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 111798427 VWCISIGXCVJXDG-AWEZNQCLSA-N 339.867 2.765 0 50 EFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(O)(c2cccnc2)CC1 67803886 FCUDPNCGAICTNV-UHFFFAOYSA-N 348.406 2.596 0 50 EFAA CN(Cc1noc(C2CC2)n1)C(=O)c1ccc([C@H]2CCCN2)s1 20602250 PCMCAWSGJUIGMP-LLVKDONJSA-N 332.429 2.705 0 50 EFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 20682584 QCZWIAGMXCMYCG-QGZVFWFLSA-N 349.544 2.653 0 50 EFAA CCSCCC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 229931775 CXTBOWWWKVXPCJ-KBPBESRZSA-N 342.530 2.769 0 50 EFAA Brc1cncnc1NC[C@H]1CCO[C@@H]1c1ccccc1 328613697 TUVYQRURBSPYDM-TZMCWYRMSA-N 334.217 3.429 0 50 EFAA CN(CCc1cccs1)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328635850 NRMAAXHUUIYDQK-HOTGVXAUSA-N 336.480 2.569 0 50 EFAA C[C@H]1OC[C@@H]2[C@@H](c3ccc(Br)cc3)N(C)O[C@H]2CO1 240668169 HMRKPBWOSADXRR-NZPIUUIZSA-N 328.206 2.745 0 50 EFAA Cc1cnccc1N1CCCN(Cc2ccc(N(C)C)nc2)CC1 77407064 OMKIGVKTIGEGAG-UHFFFAOYSA-N 325.460 2.563 0 50 EFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3c(O)cccc3O)C2)n1 67446571 WXZXIZZNQKJOGF-LBPRGKRZSA-N 345.399 2.699 0 50 EFAA COC1(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CCCCC1 471388672 DTDYHEDMCPNVFW-KDURUIRLSA-N 342.483 2.926 0 50 EFAA Cc1nc(COc2ccc(NC(=O)c3cc(C(=O)O)co3)cc2)no1 352391068 IXJPLDCSWKYOGV-UHFFFAOYSA-N 343.295 2.501 0 50 EFAA Cc1cc(C(=O)N(CCO)Cc2nccs2)c2ccc(F)cc2n1 65433637 FRZYZFYCRIURAA-UHFFFAOYSA-N 345.399 2.774 0 50 EFAA COc1ccc(NC(=O)NCCOC(=O)N(O)c2ccccc2)cc1 3107241 DMXOSEAUPJCQLL-UHFFFAOYSA-N 345.355 2.849 0 50 EFAA CC(C)Cn1ncc(NC(=O)N2CC[C@@]3(CCNC3)C2)c1C1CC1 333366495 UKGWBYVQWJYCCA-GOSISDBHSA-N 331.464 2.634 0 50 EFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1Cc2ccccc2O1 237657748 ZHKAPTBMMBQKOC-RDJZCZTQSA-N 325.364 2.631 0 50 EFAA CN(C)CCn1ccc(NC(=O)Nc2cccc3c2OC(C)(C)C3)n1 252500607 SZAWCSBDVJNDNC-UHFFFAOYSA-N 343.431 2.802 0 50 EFAA COc1ccc2[nH]c([C@@H]3C[C@H]4CN(C)C(=O)[C@]45CCCN35)c(C)c2c1 11662226 ZRVGRERLIIOXLG-ROOHIHILSA-N 339.439 2.853 0 50 EFAA CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCC[C@H]1O 241738523 QYGBEFXCJXFDDK-VXGBXAGGSA-N 348.777 2.725 0 50 EFAA COc1ccc(Cc2nn3c(CN4CCCCC4)nnc3s2)cc1 39389227 XRUMKAXXPTWKFP-UHFFFAOYSA-N 343.456 2.771 0 50 EFAA Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CNCC1CC1 253432540 LCLBZHXAYRDXNK-AWEZNQCLSA-N 343.471 2.805 0 50 EFAA O=S(=O)(Nc1ccc(-c2cncnc2)cn1)c1cccc(Cl)c1 366910972 IJECMTRBXVJMCU-UHFFFAOYSA-N 346.799 2.993 0 50 EFAA CCOc1cccc(CN(CCO)C(=O)c2nc(C)sc2C)c1 215784579 CYZNYYKIWBPNTM-UHFFFAOYSA-N 334.441 2.793 0 50 EFAA CC(C)(C)OC(=O)CCC(=O)N1CCC(C2CCOCC2)CC1 365056196 ZIVUSCNUYSYRKT-UHFFFAOYSA-N 325.449 2.774 0 50 EFAA CN(Cc1nc(N)c2c3c(sc2n1)CCCC3)c1cnn(C)c1 132716600 ASCZUNUHMWYGIH-UHFFFAOYSA-N 328.445 2.522 0 50 EFAA Cc1ccc(OCc2nc(CC(=O)N3[C@H]4COC[C@H]3C4)cs2)cc1 341014177 FGQGOXTWLHQYIO-HUUCEWRRSA-N 344.436 2.573 0 50 EFAA CN(C)C1(CNC(=O)CCCc2c[nH]c3ccccc23)CCOCC1 78707340 RAQLUFSGRJBLDM-UHFFFAOYSA-N 343.471 2.718 0 50 EFAA CN(CC(=O)NCCc1csc2ccccc12)[C@@H]1CCSC1 343213239 RWEJMKWQSRUCHE-CQSZACIVSA-N 334.510 2.997 0 50 EFAA COC(=O)CSc1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C 17071488 OCFFBZPIGIHFQI-SECBINFHSA-N 341.820 2.874 0 50 EFAA COc1ccc([C@H]2CCN(C(=O)Cc3cccc(C(=O)O)c3)C2)cc1 262242908 UOOGTYIKXHDHEX-KRWDZBQOSA-N 339.391 2.952 0 50 EFAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1ccccc1 72119426 JIBPFTLYWGLGRM-UHFFFAOYSA-N 346.818 2.526 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@]12CCc1ccccc12 175251551 IRZIQFPEOWFVNV-NQIIRXRSSA-N 344.418 2.788 0 50 EFAA CCn1nc(C)c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1C 286159677 PTTREKCUNPZCSD-UHFFFAOYSA-N 327.388 2.516 0 50 EFAA O=C(CC1CC(c2ccccc2)C1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286384423 QJADKCURYRXSQS-YFPRJPQZSA-N 343.467 2.959 0 50 EFAA O=C(c1ccc(F)cn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 287777815 IHCYJNWDFLAHTD-NUJGCVRESA-N 326.371 2.865 0 50 EFAA CSCc1ccc(C(=O)N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)o1 82097990 NGDOUHZPDQWKAP-LBPRGKRZSA-N 347.440 2.554 0 50 EFAA C[C@H](CCn1cccn1)N1CCC2(CC1)Nc1ccccc1NC2=O 82092103 DMRDCKDWIGJSBY-OAHLLOKOSA-N 339.443 2.561 0 50 EFAA COc1ccccc1OC1CN(C(=O)NCCc2ccc(C)o2)C1 426722666 QUYOSORAZJRUJY-UHFFFAOYSA-N 330.384 2.612 0 50 EFAA Cc1ccc(S[C@H](C)C(=O)NCCCc2nnc(N)s2)cc1 220251256 IFNSCWJQIVLLOW-LLVKDONJSA-N 336.486 2.658 0 50 EFAA c1cncc(COC2CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c1 426548613 VVKPSOOIHAHCJK-MRXNPFEDSA-N 340.427 2.561 0 50 EFAA N[C@H](C(=O)N1CCC(c2nccn2CC2CC2)CC1)c1ccccc1 82097553 FVTQFZCNIHNVRU-SFHVURJKSA-N 338.455 2.699 0 50 EFAA Cc1ccc(-c2ccccc2-c2cn(Cc3cc(=O)[nH]cn3)nn2)o1 91908399 UFFKRDSLKBCUED-UHFFFAOYSA-N 333.351 2.645 0 50 EFAA CCn1nc(C)c(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)n1 293154035 WEYMKWAKDPPXEX-OAHLLOKOSA-N 328.416 2.599 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)c1ccc2oc(C)cc2c1 91644949 DLVXWZPJXKENIW-UHFFFAOYSA-N 327.384 2.764 0 50 EFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 237631435 OJHXXLZRCDHRBO-XHDPSFHLSA-N 326.400 2.566 0 50 EFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc2cc[nH]c2c1 94103832 OBNUMCVKZBWJIZ-CQSZACIVSA-N 335.411 2.604 0 50 EFAA Cc1cc(C(F)(F)F)nc(CCNc2ncnc3onc(C)c23)n1 95373006 IPNMJCBADSFTCN-UHFFFAOYSA-N 338.293 2.698 0 50 EFAA CC(C)C[C@H](O)C1CCN(c2cc(C(=O)NC(C)C)ccn2)CC1 95497040 FMMUDONTDCEWAZ-KRWDZBQOSA-N 333.476 2.843 0 50 EFAA O=C(C[C@H]1CCc2ccccc21)N1CCCN(c2ncccn2)CC1 91551909 JRJVEJHHEWGODC-QGZVFWFLSA-N 336.439 2.635 0 50 EFAA Cc1cc(F)ccc1-n1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)n1 180652445 GBEWVGHDZNSSPD-CQSZACIVSA-N 343.402 2.961 0 50 EFAA CCN1C[C@@H](C(=O)NCC2(c3ccccc3)CCCCC2)CC1=O 92080814 QLDKEGILLHZTCT-INIZCTEOSA-N 328.456 2.873 0 50 EFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(OC)c(C)c2)C1 91493884 FGYVLQYDZCBWRZ-IBGZPJMESA-N 349.427 2.737 0 50 EFAA O=C(NCCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccs1 239667388 BPUXOVCMBKXRKQ-NUEKZKHPSA-N 334.485 2.805 0 50 EFAA Cc1cccc(-c2ccc(NC(=O)N3CC[C@@](O)(CO)C3)cc2)c1 96149112 SGWTWMVUIULIET-IBGZPJMESA-N 326.396 2.623 0 50 EFAA CC(=O)c1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)s1 244601953 DUZGIUKJHOIQBT-OZVIIMIRSA-N 330.409 2.588 0 50 EFAA CCc1n[nH]c2c1CN(C(=O)Nc1ccc3c(c1)C[C@H](C)O3)CC2 299764865 URDRWOLYFOVYHI-NSHDSACASA-N 326.400 2.886 0 50 EFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3cc4c(cc3C)OCO4)[C@H]2C1 299762931 DPOFDENFIDEKNH-AYOQOUSVSA-N 333.428 2.882 0 50 EFAA C[C@H](CC(=O)NC1CCN(c2ccccc2F)CC1)n1ccnc1 299765246 DGBHKENLCSKYQZ-CQSZACIVSA-N 330.407 2.759 0 50 EFAA Cc1nc(-c2ccc(C(=O)N[C@H]3COc4ccccc4C3)cc2)n(C)n1 584888083 MHNRXWMRLVAOIO-QGZVFWFLSA-N 348.406 2.524 0 50 EFAA CCN1Cc2ccccc2C[C@H]1c1nc(-c2ccco2)nn1CCO 828776929 MFKWDTDOEISJTF-INIZCTEOSA-N 338.411 2.650 0 50 EFAA CCCOc1ccccc1C(=O)N[C@H](C(=O)NC)c1ccccc1 670451538 FEDSOCOTQXQOAY-KRWDZBQOSA-N 326.396 2.693 0 50 EFAA CC[C@@H](Nc1cc(-c2ccccn2)nc(C)n1)[C@H](O)C(F)(F)F 1875255321 CCLGJTFOIKFKGH-YGRLFVJLSA-N 326.322 2.961 0 50 EFAA COc1cc(S(=O)(=O)N(C)c2cc(Cl)ccc2OC)sn1 1875281039 MMHAXUJMSVJSEV-UHFFFAOYSA-N 348.833 2.639 0 50 EFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Cc3ccccn3)cc2)cn1 1875385549 VUMFQGFLVHVLRF-YADARESESA-N 334.423 2.669 0 50 EFAA C=CC(=O)N1CCC(C(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1 1875366143 UOJJHGKLNXJOSV-QGZVFWFLSA-N 332.419 2.688 0 50 EFAA C=CC(=O)N1CCC(C(=O)NCC2CCC(C(F)F)CC2)CC1 1875370140 CXKDCBZWISGWKU-UHFFFAOYSA-N 328.403 2.599 0 50 EFAA CCn1cc([C@H]2OCC[C@@H]2CN2CCC(c3ccnn3C)CC2)cn1 886088289 GDECCDRZBLSLMJ-APWZRJJASA-N 343.475 2.594 0 50 EFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(Oc2ccccc2)n1 889469814 OKNSGMYTGHSVQU-CYBMUJFWSA-N 346.408 2.637 0 50 EFAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2ncccn2)C1 1364978752 UAZSAWHRGQEUIT-HIFRSBDPSA-N 329.375 2.789 0 50 EFAA COc1ccc2c(c1)C[C@H](N[C@H]1CCO[C@H](c3cncn3C)C1)CC2 275513015 KMLJPCZCIDTDSX-UWVAXJGDSA-N 341.455 2.796 0 50 EFAA Cn1cncc1[C@H]1C[C@H](NC(=O)CCCc2cccs2)CCO1 276333640 PZFQVAJPKOXATM-CZUORRHYSA-N 333.457 2.841 0 50 EFAA CC(C)c1nc([C@H]2CCCCN2Cc2nnc(C(C)C)n2C)n[nH]1 408473687 BEFOJBILGRNRAJ-CYBMUJFWSA-N 331.468 2.907 0 50 EFAA O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1 408519946 VMPBHLDONBRGHM-OCCSQVGLSA-N 331.334 2.672 0 50 EFAA Brc1cnc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc1 408512866 CDRKEOQMOWGWAZ-CHWSQXEVSA-N 345.244 2.812 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 222170699 IQGOQHBQDROQSF-XKQJLSEDSA-N 335.492 2.925 0 50 EFAA C[C@H](C(=O)NCc1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 222197175 KDLZWQAKAQMDKY-AEFFLSMTSA-N 338.455 2.520 0 50 EFAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1cccnc1)C1CC1 187485780 DHNBVNIEEVDJIW-CYBMUJFWSA-N 326.400 2.920 0 50 EFAA Cc1cc(N)n(-c2cc(N(C)Cc3c(F)cccc3Cl)ncn2)n1 225474083 XWQTVCPKFLMYGF-UHFFFAOYSA-N 346.797 2.982 0 50 EFAA O=C(Cn1cc(C2CC2)nn1)NC[C@H](c1ccccc1)C(F)(F)F 187693518 DHBFNGTWWIVEBU-CYBMUJFWSA-N 338.333 2.618 0 50 EFAA Cc1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)co1 187735347 NJDHKHVBPNRZAD-LJQANCHMSA-N 342.439 2.763 0 50 EFAA CCc1onc(C)c1NC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 189241997 BJNWYHHPYUOIEN-UHFFFAOYSA-N 344.419 2.500 0 50 EFAA CCN1CCN(c2cccc(NCc3cc(C(N)=O)cs3)c2)CC1 191885811 ZDYCJDCLIBLKBN-UHFFFAOYSA-N 344.484 2.601 0 50 EFAA CCOC(=O)[C@H](NC(=O)c1ccncc1F)c1ccc(Cl)cc1 193872035 SOWIPELEEUDUFD-CQSZACIVSA-N 336.750 2.908 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@H]2O)on1 1529153538 FDGKZRCRWWGSFM-WBMJQRKESA-N 346.452 2.599 0 50 EFAA NC1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 157639286 FWGBNAIGAPEFMO-UHFFFAOYSA-N 331.641 2.595 0 50 EFAA CCCCNC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1772815423 QILJAXSBWBUUFO-ZWKOTPCHSA-N 343.471 2.834 0 50 EFAA O=C(NCC1(O)CCCCC1)c1coc(COc2cccc(F)c2)n1 12021372 TZKIHRGKZAFBDI-UHFFFAOYSA-N 348.374 2.818 0 50 EFAA Cc1cccc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)n1 12447906 FLEBUUUFBZTFEM-LJQANCHMSA-N 345.487 2.677 0 50 EFAA CC(=O)NC[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 12593766 QHYBILCXFXWRHG-ZDUSSCGKSA-N 348.834 2.738 0 50 EFAA COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 19552381 VGRRWOBQJBOGGO-UHFFFAOYSA-N 340.423 2.662 0 50 EFAA biogenic CC(C)n1cc(-n2ccnc2-c2ccc(S(C)(=O)=O)cc2)cn1 1857682508 LUEHIZWCUCFSEH-UHFFFAOYSA-N 330.413 2.720 0 50 EFAA Cc1cccnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 1857731954 VOOMVNSLEKTWDI-FBBABVLZSA-N 335.451 2.760 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)c2cccc3cc(C)oc23)CC[C@H]1O 1857739784 SFSQWMFNJBHJSS-APWZRJJASA-N 331.412 2.727 0 50 EFAA Cc1csc(=O)n1CC(=O)N1C[C@H](C)Oc2c(Cl)cccc21 225604911 PYZZTFPOBPOTHL-JTQLQIEISA-N 338.816 2.686 0 50 EFAA CCN1CCC[C@@H](CN(C)Cc2cnn(CC)c2)[C@@H]1c1cnn(C)c1 328648807 USWPBVPHKHAREF-PKOBYXMFSA-N 344.507 2.542 0 50 EFAA Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1C 640867994 WFOJOMQOTXYHQW-XYPHTWIQSA-N 336.863 2.674 0 50 EFAA COc1ccc(-c2n[nH]cc2CN2CC[C@@H](c3nc(C)no3)C2)cc1 344875288 PNBIUHNNAWWNHF-CQSZACIVSA-N 339.399 2.766 0 50 EFAA CSc1nc(C)c(CCC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(C)n1 247442523 OKIYTTKEIWXLRL-PASATYPHSA-N 331.485 2.909 0 50 EFAA Cc1nc(N2CC[C@H](C)[S@](=O)CC2)sc1C(=O)OC(C)(C)C 822427154 WNWNBQCEWRXMSN-MLMJSJRWSA-N 344.502 2.754 0 50 EFAA O=C(N[C@@H]1COCC[C@H]1O)c1cc(F)c(Oc2ccccc2)c(F)c1 828314325 GNQHNCIAIGSKTK-HZPDHXFCSA-N 349.333 2.637 0 50 EFAA Cc1nn(CC(F)F)cc1C(=O)Nc1n[nH]c(C)c1-c1cccnc1 829616092 KEBJZMRHQFLPEJ-UHFFFAOYSA-N 346.341 2.802 0 50 EFAA O=C(NCC[C@H]1CCOC1)c1cc(Br)cnc1C1CC1 935359612 SAAGYMDJEATYJV-JTQLQIEISA-N 339.233 2.878 0 50 EFAA Cc1cc(C)c2c(NC(=O)CCn3nc(C)c(C)c3C)n[nH]c2n1 2100544685 FKBQAXWIRGKPIY-UHFFFAOYSA-N 326.404 2.725 0 50 EFAA CC1(C)C[C@]2(CCN(C(=O)c3cc4scc(C(=O)O)c4[nH]3)C2)CO1 2325788384 BVLLAOOZTRTCOE-KRWDZBQOSA-N 348.424 2.959 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 2325813206 XQGIPWXUWBGWQS-HXPMCKFVSA-N 343.379 2.559 0 50 EFAA O=C(C=C1CCC1)N1C[C@H](CN=c2ncc(Cl)c[nH]2)C2(CCC2)C1 2325841083 CFTUPBUZAVPXKJ-AWEZNQCLSA-N 346.862 2.703 0 50 EFAA CC[C@@H](NC(=O)[C@H](n1cc(CNC)nn1)C(C)(C)C)C1CCCC1 2325868557 BAAZSEBNKNIDPS-CVEARBPZSA-N 335.496 2.670 0 50 EFAA C=CC(=O)Nc1cccc(C(=O)N[C@H](C)CCc2cccn2C)c1 866101624 YYEWQFNKRHZLMF-CQSZACIVSA-N 325.412 2.901 0 50 EFAA CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 144617 KJJCFGQWSZWPHI-QWRGUYRKSA-N 334.441 2.925 0 50 EFAA COc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2)cc1OC 408630 DMTPSLQHAXJGJG-CQSZACIVSA-N 329.396 2.830 0 50 EFAA COC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 582051 QXHUSCPGUJXFLO-UHFFFAOYSA-N 346.619 2.586 0 50 EFAA COc1cccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)c1 613398 BQGLGWCJTINBQO-UHFFFAOYSA-N 339.347 2.876 0 50 EFAA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 1078224 GRNXGVXJOPRDFZ-UHFFFAOYSA-N 326.324 2.589 0 50 EFAA COc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 2817475 RCHGEFUWKAGLSP-UHFFFAOYSA-N 342.395 2.851 0 50 EFAA CCCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)o1 4943090 JBAUZIARPLFBSZ-UHFFFAOYSA-N 337.401 2.770 0 50 EFAA COc1ccc(OC)c(S(=O)(=O)NCc2cccc(Cl)c2)c1 6381525 JKZWGLLIYZOZRX-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccs1 6702983 PDMDWALOTBHKDJ-UHFFFAOYSA-N 342.464 2.959 0 50 EFAA c1ccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)nc1 10312432 BBFBICOCHHNTFF-ZDUSSCGKSA-N 337.364 2.760 0 50 EFAA O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 101752444 BHQLITXTIDPEKG-KOUJMVCDSA-N 344.499 2.920 0 50 EFAA CCc1c(C(=O)N[C@@H](COC)c2ccnn2C)[nH]c2ccccc12 67834115 QFYVBHLLLOIYSW-HNNXBMFYSA-N 326.400 2.581 0 50 EFAA CC[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642847 YNUYQLRVYFMWKU-BVBHFADKSA-N 345.487 2.738 0 50 EFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1coc(-c2ccccc2)n1 119374106 UHEMKINVSRTDPU-HNNXBMFYSA-N 338.367 2.969 0 50 EFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2ccccc2F)C1 328608662 AWZZOMCKKWEBER-ADSMDIBLSA-N 345.374 2.609 0 50 EFAA C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 248838170 NITBMCBDVAIMSG-MDZRGWNJSA-N 345.487 2.621 0 50 EFAA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccc(F)cc1 240569349 GZVUOBJLBPKJAZ-DVOMOZLQSA-N 341.448 2.824 0 50 EFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(F)c1 242339223 ZGBGYNLMOBRSTN-WQVCFCJDSA-N 334.391 2.570 0 50 EFAA C[C@H]1CN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC2(CCOCC2)O1 333368646 ZAPISXSOUNTAHJ-QAETUUGQSA-N 336.476 2.792 0 50 EFAA CO[C@@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccc(F)cc1 173667275 FYTJNZSRSOUEOD-PBHICJAKSA-N 346.406 2.826 0 50 EFAA Cc1cc(=O)cc(C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)o1 216307845 CGLIQZAARQBSQQ-UHFFFAOYSA-N 346.333 2.989 0 50 EFAA Cn1c(CSCC(=O)Nc2ccccc2)nc2ccccc2c1=O 252494217 NOMQPKVACDSURL-UHFFFAOYSA-N 339.420 2.805 0 50 EFAA Fc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)c(F)c1 340752677 BSTVGLQNNHDXEQ-UHFFFAOYSA-N 340.293 2.717 0 50 EFAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(C)CC1(O)CCCC1 252570809 XHNJZVKEDBCRTG-UHFFFAOYSA-N 349.381 2.836 0 50 EFAA CNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccnn2C)cc1 253425586 DFLAMQSAVSXYCJ-INIZCTEOSA-N 341.415 2.539 0 50 EFAA CO[C@H](C)c1noc(CCC(=O)N(C)Cc2c(F)cccc2F)n1 358321388 KPZOKKGDXKVELX-SNVBAGLBSA-N 339.342 2.646 0 50 EFAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2cccc(F)c2)c1 215433106 QNPKJGZMOJPVJJ-ZDUSSCGKSA-N 347.411 2.657 0 50 EFAA O=C([C@H]1CCCc2n[nH]cc21)N1CC(Cc2ccc(F)cc2F)C1 371930623 FLUGHMBBJWGUQF-AWEZNQCLSA-N 331.366 2.809 0 50 EFAA COc1cccc2c1OCCCN(C(=O)[C@H]1Cc3ccccc3O1)C2 215461130 XLUDKAHWZFJMAW-GOSISDBHSA-N 339.391 2.810 0 50 EFAA CCCCN1C[C@]2(CCCN(C(=O)c3ccnn3CC)C2)CCC1=O 77354132 KIYFAALNBQSKAM-IBGZPJMESA-N 346.475 2.548 0 50 EFAA Cc1cccc(N2CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)c1 157997648 XEAKDQBNWZWOSG-UHFFFAOYSA-N 347.422 2.743 0 50 EFAA CCn1ccnc1[C@@H](NC(=O)c1ncccc1C)C1CCOCC1 286839285 MKYFSTYENIBROR-INIZCTEOSA-N 328.416 2.504 0 50 EFAA COC(=O)C[C@H]1CN=C(Nc2ccccc2)N(c2ccccc2)C1=O 72406649 OBBBFHLYAZVQDA-AWEZNQCLSA-N 337.379 2.681 0 50 EFAA C[C@@]1(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCCCO1 77456906 OHKUNUPYXYREHK-IBGZPJMESA-N 334.435 2.819 0 50 EFAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1sc(C)nc1C 176504982 RASLEFMJGSYVBU-CABCVRRESA-N 336.505 2.571 0 50 EFAA Cn1c(CNC(=O)c2cccc([C@H]3CCNC3)c2)nc2ccccc21 72165316 QELMPPMKFBMBFW-INIZCTEOSA-N 334.423 2.580 0 50 EFAA O=C(NCc1cnn2cccnc12)c1csc(Cc2ccccc2)n1 82137102 SJXWSKWHYDJLCY-UHFFFAOYSA-N 349.419 2.707 0 50 EFAA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(C)cc1 20602049 KYLCELGZULPGAH-UHFFFAOYSA-N 327.837 2.686 0 50 EFAA CS(=O)(=O)c1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 222663639 OUYXXZNNSYVWOO-OAHLLOKOSA-N 329.421 2.686 0 50 EFAA NC(=S)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 45068131 MHCIYGXQHRUCCN-LLVKDONJSA-N 331.422 2.872 0 50 EFAA Cc1scc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1C 180434612 HEJACUHJIBJWQF-OAHLLOKOSA-N 333.457 2.684 0 50 EFAA N[C@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)C[C@@H]1C1CC1 91426818 YMEZTYVJMXDPML-NEPJUHHUSA-N 346.324 2.733 0 50 EFAA CCc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)no1 97551299 QILCMEOIVRMORI-OAHLLOKOSA-N 327.428 2.797 0 50 EFAA CC(=O)OC1CCN(c2ccc(C=O)cc2Br)CC1 230554773 ULMWDRJODPKEAG-UHFFFAOYSA-N 326.190 2.794 0 50 EFAA Cc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 95501774 NTBUEMUPXRGQMN-UHFFFAOYSA-N 334.427 2.809 0 50 EFAA COCCN(Cc1nccs1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 426420081 XOUCFIZYWUIOSD-LSDHHAIUSA-N 331.441 2.857 0 50 EFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(=O)Nc2nc(N)ccc21 95356432 OYYLQRTXMMTNRW-OAHLLOKOSA-N 333.395 2.940 0 50 EFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CC(F)(F)F)C2 91535090 QLENLIYQYXZGSD-QWHCGFSZSA-N 345.365 2.667 0 50 EFAA Cc1noc(C)c1CCCNC(=O)[C@H](c1cccc(F)c1)N(C)C 95377725 PDVYPEJVKYNCHI-KRWDZBQOSA-N 333.407 2.782 0 50 EFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)Nc1cncc(F)c1 96137740 WIUCHUUMACRZSL-OAHLLOKOSA-N 334.395 2.620 0 50 EFAA CN(C)[C@@H](C(=O)NCCCc1ccc(O)cc1)c1ccc(F)cc1 91908117 SPNQVMRWPIJDHP-GOSISDBHSA-N 330.403 2.883 0 50 EFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C)c2C(N)=O)C1 239402927 RHMICHSDXWYFJU-NWDGAFQWSA-N 349.500 2.785 0 50 EFAA COc1cc(NC(=O)NCC[C@@H]2CCCN2C)c2ncccc2c1 95502723 ROPAXQQTKUGKDC-AWEZNQCLSA-N 328.416 2.849 0 50 EFAA Cc1n[nH]c([C@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)n1 244574806 CRUXMFMSVIVUCA-LLVKDONJSA-N 348.476 2.643 0 50 EFAA O=C(O)C[C@@H]1C[C@@H]2[C@@H]3C[C@H](CC(=O)O)[C@@H]4[C@@H]5C=C[C@H]6[C@H]1[C@H]2[C@H]([C@@H]43)[C@H]56 247353728 CSFXZVCEJJRBRM-NQZHGMABSA-N 328.408 2.748 0 50 EFAA Cc1noc(C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)n1 299054656 AXKKUKGKMGKFIT-UHFFFAOYSA-N 340.305 2.812 0 50 EFAA COCCNC(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494927 UMEZLYGXDLFCOV-UHFFFAOYSA-N 332.656 2.608 0 50 EFAA CC(=O)c1cc(CC(=O)NCc2nc(C)c3c(n2)CCCC3)cs1 827855261 NLMARWAUQYTMGR-UHFFFAOYSA-N 343.452 2.787 0 50 EFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccn(C)c2C)C1 670444648 VPZAKNOBAFUXJG-KRWDZBQOSA-N 325.456 2.861 0 50 EFAA COc1c[nH]c(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1=O 670462244 VKVYPBJXSOAGIZ-AWEZNQCLSA-N 342.395 2.724 0 50 EFAA O[C@@H](CCN1CCN(c2ncccc2Cl)CC1)c1ccccc1 670456468 AGAWEHBLVLELID-KRWDZBQOSA-N 331.847 2.981 0 50 EFAA Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@@H](C)C2)oc1C(=O)O 872000811 MGEATNYKLCTOQA-NSHDSACASA-N 335.381 2.594 0 50 EFAA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)C(C)(C)C1CC1 952879864 AGYGJGWOYVKJIQ-NSHDSACASA-N 344.381 2.797 0 50 EFAA Cc1nnc(CNc2nc(C(C)C)nc(C)c2Br)o1 952995688 VIRCWGJEGVHWTM-UHFFFAOYSA-N 326.198 2.974 0 50 EFAA Cc1nccn1-c1ccc(CNC(=O)Nc2nccc(C3CC3)n2)cn1 1875296629 GOXWIWRGXGLFEM-UHFFFAOYSA-N 349.398 2.565 0 50 EFAA 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C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H]2CCC[C@H]2Cc2ccccn2)C1 1776000273 MUDAYDOLXOLPDB-AESZEHBQSA-N 345.443 2.545 0 50 EFAA CCOC(=O)c1nc2c(s1)CCN(C(=O)OC(C)(C)C)CC2 91302899 ZJADFVCBCTWNLC-UHFFFAOYSA-N 326.418 2.656 0 50 EFAA in-vitro CCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1 170597322 USGAZIIJWSKYPQ-NSHDSACASA-N 347.385 2.553 0 50 EFAA Cc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3O)CC2)n1 170581391 SCTHSBTUSBXRFO-UHFFFAOYSA-N 326.400 2.654 0 50 EFAA CN(C)c1ncncc1NC(=O)c1ncoc1-c1ccc(F)cc1 170607600 SMYAANWNSFFAMU-UHFFFAOYSA-N 327.319 2.589 0 50 EFAA C[C@H](C(=O)N1CC2(CCCC2)c2cccc(Cl)c21)S(C)(=O)=O 170612209 ANNAJWKEPLASMS-LLVKDONJSA-N 341.860 2.932 0 50 EFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2cnn(C)c2)C1 171012152 OWOAIKRHNMVVRZ-AWEZNQCLSA-N 346.862 2.567 0 50 EFAA CCc1ccc2occ(C(=O)N3CCC[C@@](O)(CN(C)C)C3)c2c1 408517624 OUBKEVJBZQWGHL-LJQANCHMSA-N 330.428 2.524 0 50 EFAA Cc1ccn(CC(=O)Nc2cc(F)ccc2N2CCCCC2)c(=O)c1 225561171 AVXMPNHVBNFBKN-UHFFFAOYSA-N 343.402 2.925 0 50 EFAA CCCn1c(C(=O)N(C)C[C@H]2CCN(C(C)=O)C2)cc2ccccc21 188545685 WMYKZCKHOBEYRI-MRXNPFEDSA-N 341.455 2.992 0 50 EFAA CCOc1ccc(-c2nc(CN3CCCNC(=O)[C@@H]3C)cs2)cc1 189278040 AFPWZAPICSMDCS-ZDUSSCGKSA-N 345.468 2.919 0 50 EFAA Cc1ccccc1[C@H](O)CNC(=O)Cc1cc(Cl)cc2c1OCC2 755511053 TZORAHIMUDMZIN-QGZVFWFLSA-N 345.826 2.976 0 50 EFAA Cc1nc(-c2cn(CC(=O)N3c4ccccc4C[C@H]3C)nn2)cs1 640761865 ZKWIIGAKQSXBRC-LLVKDONJSA-N 339.424 2.688 0 50 EFAA C[C@@H](O)c1ccc(CNC(=O)c2cnn(C)c2Cc2ccccc2)cc1 770260014 AVEJZMVPAWYFIT-OAHLLOKOSA-N 349.434 2.994 0 50 EFAA Cc1ncc(C(=O)N(C)CCCOc2cccc(Cl)c2)c(O)n1 1506398818 GLLBDKPIBVBLAP-UHFFFAOYSA-N 335.791 2.685 0 50 EFAA CCN(CCN1CCCC1)C(=O)CC[C@@H]1CCCN2CCCC[C@H]12 1506427901 VBOVAFCVXDIWFP-RBUKOAKNSA-N 335.536 2.975 0 50 EFAA O=C(CCc1cccc(F)c1)N[C@H]1COC[C@H]1Cc1ccncc1 1615734195 BZLQBPQEINVPEH-AEFFLSMTSA-N 328.387 2.527 0 50 EFAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCN(C2CCOCC2)CC1 1772818359 RAJLFFIZSADGEY-RBUKOAKNSA-N 328.456 2.503 0 50 EFAA Cn1ccc(C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc1=O 1772809313 SLUQAWLKZJIDQU-IBGZPJMESA-N 336.435 2.821 0 50 EFAA COc1ccccc1N1C(=O)C(Cl)=C(NC2CCCCC2)C1=O 5181823 VKTHEHQJCQSTKZ-UHFFFAOYSA-N 334.803 2.941 0 50 EFAA COc1cccc(OCc2nc(C(=O)NCc3cccnc3)co2)c1 12307856 MAXCVGUGDZPFMR-UHFFFAOYSA-N 339.351 2.587 0 50 EFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1Cc1cccnc1 12308266 LTDXMMHCKOZATG-IBGZPJMESA-N 347.422 2.870 0 50 EFAA Cc1n[nH]c(CCC(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)c1C 12316400 PWSXPZNQEUEIKN-KRWDZBQOSA-N 345.418 2.568 0 50 EFAA C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12414237 MNBQTFCXJCVEKS-GJYPPUQNSA-N 336.451 2.514 0 50 EFAA CCOC(=O)c1ccc(NC(=S)NC[C@H](O)c2ccccc2)cc1 13482283 DFBIICMBLVCUCO-INIZCTEOSA-N 344.436 2.883 0 50 EFAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cl 14373434 QACDKMVFVUKOML-VXGBXAGGSA-N 332.787 2.620 0 50 EFAA COC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccccc2F)c1 16578348 BTHLJEBEYQXCQT-UHFFFAOYSA-N 337.372 2.863 0 50 EFAA O=C(NC[C@H]1CCN(C2CCCC2)C1)Nc1ccc2c(c1)OCCO2 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CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1csc(C)n1)C2 67473449 UEYLFBSQSIWAFB-ZDUSSCGKSA-N 348.472 2.746 0 50 EFAA O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccc(Cl)cc1 20479652 AQBAAOBWSCEDEE-UHFFFAOYSA-N 333.819 2.689 0 50 EFAA CCc1nccc([C@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)n1 65374429 CLXAQADYQLZWSK-SNVBAGLBSA-N 343.383 2.539 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccn1Cc1cccnc1 248142386 QUFMXYGUTTVWCA-QZTJIDSGSA-N 338.455 2.630 0 50 EFAA CCCN1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 20595177 LGMWHXPKPHVZOX-UHFFFAOYSA-N 330.259 2.960 0 50 EFAA CC(C)=CC(=O)NC[C@H]1CCCN(Cc2ccnc(C(C)C)n2)C1 67675208 DSANNHXRYPDXFJ-MRXNPFEDSA-N 330.476 2.894 0 50 EFAA C[C@@H]1CN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20726029 FBOZRYQGULRQCH-VKRPKONCSA-N 337.504 2.690 0 50 EFAA O=C(NCCCc1nnc2ccccn12)c1ccccc1N1CCCC1 65396422 XZVNJCGKGHHVMP-UHFFFAOYSA-N 349.438 2.692 0 50 EFAA CNc1cc(N2CCC[C@H]2CN[C@H]2CCCc3occc32)ncn1 248744494 AUGJNCIHQCDGFW-ZFWWWQNUSA-N 327.432 2.747 0 50 EFAA O=c1cc(N2CCCC2)cnn1Cc1cccc(OC(F)(F)F)c1 23250799 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2.554 0 50 EFAA CN1CC[C@@H](NC(=O)c2cnns2)[C@H]1c1ccc(Cl)c(F)c1 241587896 OYARQWAAOPSMFP-DGCLKSJQSA-N 340.811 2.506 0 50 EFAA CCOc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1OCC 4717384 BLECFIFIMZZDOM-UHFFFAOYSA-N 340.379 2.718 0 50 EFAA CCOc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 241795508 RZTXPHGPBDLKFO-PBHICJAKSA-N 349.456 2.554 0 50 EFAA COc1cccc(C2=NO[C@@H](C(=O)Nc3cccnc3Cl)C2)c1 5029383 MTWJYFKZLKCYIV-CQSZACIVSA-N 331.759 2.875 0 50 EFAA Cc1cc2cc(C(=O)N(CC(=O)O)C3CCOCC3)oc2cc1C 237904118 CYWMKVLIXLLSHX-UHFFFAOYSA-N 331.368 2.755 0 50 EFAA Cc1noc(C)c1CN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 218965606 IZQJVAVFXIZUSA-UHFFFAOYSA-N 339.395 2.573 0 50 EFAA COc1coc(C(=O)Nc2ccc3c(c2)[C@@H](O)CC3(C)C)cc1=O 252499621 SCWRDTMXMRGTON-AWEZNQCLSA-N 329.352 2.615 0 50 EFAA Cc1cccc(-c2nnc(SCCCN3CCN(C)CC3)n2C)c1 130044963 IDHMAJQKGHAQTL-UHFFFAOYSA-N 345.516 2.520 0 50 EFAA C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c1cnn(C)c1 252670815 LTAHVQNXNLRIOH-IAOVAPTHSA-N 328.416 2.701 0 50 EFAA O=C([C@H]1CCNC1)N1CCC[C@@H]1Cc1ccc(Br)cc1 153356985 ADEKDESWGLRTFH-DZGCQCFKSA-N 337.261 2.592 0 50 EFAA COCCN(CC(=O)N(C)C)C(=O)c1coc2ccc(C(C)C)cc12 288367593 JQWOBFPXVXCPFP-UHFFFAOYSA-N 346.427 2.733 0 50 EFAA Cc1ncsc1CCC(=O)N1CCCN(Cc2cccnc2)CC1 77287339 QIRMSVOXERBPBK-UHFFFAOYSA-N 344.484 2.514 0 50 EFAA Cc1ccc(N2CCC(NC(=O)C[C@@H](O)CC(C)(C)C)CC2)nc1 368257304 FGWNZPDNNWHKJX-MRXNPFEDSA-N 333.476 2.662 0 50 EFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)CC2CC(c3ccccc3)C2)C1 285891039 SFMBQYOWNMHEJJ-BNICSPFPSA-N 340.427 2.677 0 50 EFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)C1CCCCCC1 219496979 CPKQURJLYMOKGE-RTBURBONSA-N 347.455 2.802 0 50 EFAA Cc1ccc2[nH]c(=O)c(CN3CCO[C@@H](C(F)(F)F)C3)cc2c1 71760309 JNZHKTVDMXYJKM-CQSZACIVSA-N 326.318 2.600 0 50 EFAA O=C(O)c1cccc(C(=O)N(CCc2cccc(F)c2)C2CC2)n1 262470168 ZTWUJMBHTVIOLL-UHFFFAOYSA-N 328.343 2.766 0 50 EFAA COCCc1ccnc(NC(=O)[C@H]2CCCN2c2ccccc2)c1 376087953 GWVPKQLZTIHXSG-QGZVFWFLSA-N 325.412 2.878 0 50 EFAA COc1ccc([C@@H](NC(=O)c2ccnn2C2CCCC2)C(=O)O)cc1 262981131 RDHGQGLSIFLVIY-MRXNPFEDSA-N 343.383 2.563 0 50 EFAA NC[C@@H]1CCCCN1C(=O)NCCOc1cccc2ccccc12 417164599 PCQZBLFOCRYWFB-INIZCTEOSA-N 327.428 2.741 0 50 EFAA OC1CCN(C2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1 72425939 UYWPICGESJLFEU-UHFFFAOYSA-N 326.843 2.900 0 50 EFAA CS(=O)(=O)c1sc(N)nc1-c1ccc(Br)cc1 14007618 VPCJEZJIASXALE-UHFFFAOYSA-N 333.232 2.558 0 50 EFAA C[C@@H](Oc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 175669284 PYSOJODNMMUOHE-MRXNPFEDSA-N 339.439 2.630 0 50 EFAA O=C(CC1CCCC1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1 222670717 VKMSCBBTYHAETG-IAGOWNOFSA-N 347.411 2.618 0 50 EFAA NCc1nc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cs1 178445849 MYUBHAKYQGYORS-UHFFFAOYSA-N 339.367 2.796 0 50 EFAA O=C(NCc1cc2n(n1)CCNC2)Nc1ccccc1-c1ccccc1 82145640 JUDGEYIXVBBEDL-UHFFFAOYSA-N 347.422 2.975 0 50 EFAA CNC[C@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 178982751 ICDOZAREUMEWFL-SNVBAGLBSA-N 337.395 2.770 0 50 EFAA Cn1cnc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 179127703 UOWWUKITPFSXDX-UHFFFAOYSA-N 349.316 2.555 0 50 EFAA CN(C)[C@H](C(=O)NC1(CC(=O)O)CCCCC1)c1cccc(F)c1 220591844 RMDUVXUHNJWBAQ-INIZCTEOSA-N 336.407 2.722 0 50 EFAA Cc1nc([C@H]2CCOC2)cc(N2CCC(N3CCCCC3)CC2)n1 426535982 XUJPMWCBWKLBQV-INIZCTEOSA-N 330.476 2.744 0 50 EFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1Cc2ccccc2[C@H](O)C1 82108163 ATHXYDVDUNIIEU-GOSISDBHSA-N 346.390 2.536 0 50 EFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Cl 41097004 YTIRRCJDRYJJAV-PHIMTYICSA-N 333.837 2.537 0 50 EFAA CCc1ccccc1OC1CN(C(=O)NCC[C@@H]2CCCN2C)C1 426388046 VCDDFKHRMZGLDH-INIZCTEOSA-N 331.460 2.506 0 50 EFAA Cc1nn(C)c(C)c1NC(=O)N1CCC(OCc2cccnc2)CC1 95525370 CHECADOXVWURNB-UHFFFAOYSA-N 343.431 2.645 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)N(C)C3CCS(=O)(=O)CC3)[nH]c12 91807726 IGPFVJQXFJAOSR-UHFFFAOYSA-N 348.468 2.742 0 50 EFAA CCc1nn(C)c(NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1C 96142165 PAGRDCYJKRCUBR-QGZVFWFLSA-N 341.459 2.812 0 50 EFAA COC[C@@H](O)CN1CCC[C@H]1c1cc(Br)ccc1OC 182190791 UJFPOXGMMZKHLS-JSGCOSHPSA-N 344.249 2.602 0 50 EFAA CN1CCCC[C@@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 95363037 SIQSLFPBFSISPF-QGZVFWFLSA-N 344.434 2.892 0 50 EFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NC(C)(C)CNc1cccc(Cl)c1 91793015 YNNFKLPKUHWPLO-HNNXBMFYSA-N 349.866 2.687 0 50 EFAA COc1ccc(-c2[nH]ncc2C(=O)N[C@H](CO)c2ccccc2)cc1 252496668 POFPLEVXWNHUEP-QGZVFWFLSA-N 337.379 2.549 0 50 EFAA C[C@]12CCCN1C(=O)N([C@@H]1CCN(c3ccc(Cl)cc3)C1)C2=O 253420140 HHGMNSJJNWMRTN-RHSMWYFYSA-N 333.819 2.735 0 50 EFAA O=C(c1ccccc1)N1CC[C@@H](CN(C[C@H]2CCOC2)C2CC2)C1 252495487 ORMILSYVOFJXGO-IAGOWNOFSA-N 328.456 2.650 0 50 EFAA O=C(NC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)c1ccccc1 531381492 UAMRPDNDJWZGJT-AWEZNQCLSA-N 335.411 2.604 0 50 EFAA COc1cccc(CN(C(=O)NC[C@H](C)N2CCCC2)C2CC2)c1 534587456 LZHTZZSPQZJTGN-HNNXBMFYSA-N 331.460 2.854 0 50 EFAA Cc1cc(CC(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)on1 299764477 HIPUNSNCINQIJP-CYBMUJFWSA-N 333.819 2.822 0 50 EFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3c(C)ncn3C)C2)c1 299778154 OZQIGYLGGPCJGE-OAHLLOKOSA-N 343.427 2.668 0 50 EFAA CCc1nc(-c2cnc(C3CC3)nc2)n(-c2ccc(C(=O)O)cc2)n1 823562710 CSXZKFQCLXKRFC-UHFFFAOYSA-N 335.367 2.862 0 50 EFAA Cc1cnccc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848011 DYGMUNMSXUXRNK-CVEARBPZSA-N 337.427 2.651 0 50 EFAA Cn1c(CNc2ccnc(C(C)(C)C)n2)cc(=O)n1-c1ccccc1 952992915 LKYQEVBLXFUCPU-UHFFFAOYSA-N 337.427 2.876 0 50 EFAA CC(C)(C)OC(=O)CCSCC[C@@H](C(F)F)N1CCOCC1 1875275638 LTXCMZGRZXSDTQ-LBPRGKRZSA-N 339.448 2.807 0 50 EFAA Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cccc(C)c2F)o1 1875262887 DPAYEXCHHRKHAW-NSHDSACASA-N 341.360 2.530 0 50 EFAA Cc1nc(-c2c[nH]c(C(=O)N3CCc4n[nH]c(C)c4C3)c2)cs1 1875315622 BNIKABFHOCEBJQ-UHFFFAOYSA-N 327.413 2.677 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccnn2CC)cc1 1875373617 IGOBMHCVQZDWEU-CYBMUJFWSA-N 326.400 2.543 0 50 EFAA Cc1cc(N)n(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1 952991728 RUYAUALVJXVKRU-ZDUSSCGKSA-N 341.440 2.747 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(Cc2conc2C)C1 886079222 BUKZWZMBVYAEED-WBVHZDCISA-N 339.399 2.730 0 50 EFAA CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 894045768 JRFMNYFPJJBVNF-KZNAEPCWSA-N 348.418 2.865 0 50 EFAA Cc1nc([C@H]2C[C@@H](O)[C@@H](CNCc3ccc(OC(C)C)cc3)C2)n[nH]1 888076180 FILRPPOEALGPPZ-JFIYKMOQSA-N 344.459 2.545 0 50 EFAA Cn1nnc2c(C(=O)N(CCC(F)(F)F)C3CCCC3)ccnc21 888090918 VNNKBIDNXVSXDO-UHFFFAOYSA-N 341.337 2.701 0 50 EFAA Cc1cccc(C2(O)CCN(c3cc(N(C)C)ncn3)CC2)c1C 892679310 DSJLPWCSIAEQFK-UHFFFAOYSA-N 326.444 2.647 0 50 EFAA CO[C@H]1C[C@H](c2nc(Cc3ccccc3Cl)no2)N(C(C)=O)C1 275584201 JSVBUSRELNMOIS-GXTWGEPZSA-N 335.791 2.622 0 50 EFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)CCO1 276162278 GCYHMEIKTWQSJM-WMZOPIPTSA-N 325.412 2.559 0 50 EFAA Cc1noc(C2CCN(C(=O)Nc3ccnn3C(C)(C)C)CC2)n1 186459268 MWNJCKZVBSGLRZ-UHFFFAOYSA-N 332.408 2.741 0 50 EFAA COC(=O)[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)c1c(C)cccc1C 170597951 IMIVTCNQOKOILQ-DOTOQJQBSA-N 343.427 2.708 0 50 EFAA COCCCS(=O)(=O)N(C)Cc1cccc(Cl)c1Cl 170886779 KJBXRTQWBUTEEH-UHFFFAOYSA-N 326.245 2.792 0 50 EFAA COc1cccc(Cl)c1CNC1CCN(C(=O)N(C)C)CC1 188280656 BEMNIJGHYYXWNK-UHFFFAOYSA-N 325.840 2.584 0 50 EFAA CCN1CCCN(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)CC1=O 682729879 FXHUDUQWPFRJHA-LBPRGKRZSA-N 347.390 2.897 0 50 EFAA O=C(N[C@H](CCO)C1CCOCC1)c1ccc(F)c2ccccc12 408515514 TVMUOBRYGIRHSD-GOSISDBHSA-N 331.387 2.886 0 50 EFAA CC(C)(C)OC(=O)N(CCN1CCC(CC(N)=O)CC1)C(C)(C)C 225513748 SAEFEAGZVONCPG-UHFFFAOYSA-N 341.496 2.609 0 50 EFAA O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)C1CCCCC1 191334500 ZSFAWJFWFXTARE-QGZVFWFLSA-N 329.444 2.891 0 50 EFAA CCCn1nccc1NC(=O)N[C@H](CC)C(=O)NCc1cccs1 646190808 CDGWUTULAXGGAX-CYBMUJFWSA-N 349.460 2.571 0 50 EFAA COc1ccccc1-n1ncc(C(=O)N2CC[C@@H]2C(F)(F)F)c1C 646289302 UCLXPTFKCAEDOH-CQSZACIVSA-N 339.317 2.966 0 50 EFAA CCC1(CC)CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[S@@]1=O 192496292 SEPRNLCDKQJKTM-QFIPXVFZSA-N 347.839 2.948 0 50 EFAA COC(=O)c1cccc(COC(=O)c2cc3ccccc3[nH]c2=O)c1 192884391 UIVGASLDEXXNTI-UHFFFAOYSA-N 337.331 2.672 0 50 EFAA COC[C@H](NC(=O)NCC1CCOCC1)c1ccc(Cl)cc1 194359777 AVQQNPRFOWIELI-HNNXBMFYSA-N 326.824 2.753 0 50 EFAA Cc1ncc([C@H](C)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(C)n1 658269086 BOLDSYJXYVWOGH-XLWVJDPXSA-N 329.448 2.645 0 50 EFAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)C1 668282723 ZUIMFJIKSISFKT-RBSFLKMASA-N 325.449 2.931 0 50 EFAA CC1=CC2(CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)OCC1 1704302526 OEATVEAJBGOERT-KRWDZBQOSA-N 340.423 2.589 0 50 EFAA Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1N 11693027 LVXHHKXKKISUBY-UHFFFAOYSA-N 325.347 2.858 0 50 EFAA c1cncc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 19792247 ZVUZCBLIOCLNFQ-UHFFFAOYSA-N 341.440 2.511 0 50 EFAA COc1ccccc1C=C[C@H]1NC(=O)NC(C)=C1C(=O)OC(C)C 1857528706 GVORKDGOPRGWBV-CQSZACIVSA-N 330.384 2.615 0 50 EFAA CCCCc1ncc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)[nH]1 1857666903 PIFOSDHNPHBFHK-ZDUSSCGKSA-N 327.432 2.627 0 50 EFAA Fc1ccc(N2CCCN([C@@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857673939 UGAWROQSJBJGLB-LJQANCHMSA-N 347.478 2.639 0 50 EFAA Cc1ccc2ncnc(N3CCCN(c4ccncc4C)CC3)c2n1 1857680271 FQHZXPAPYXEBBI-UHFFFAOYSA-N 334.427 2.753 0 50 EFAA O=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCc2ncnn2C1 1857708280 ZEDAZXHBDQQPIP-SFHVURJKSA-N 332.407 2.824 0 50 EFAA CSCC(=O)NC[C@@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 11839282 FSBCINKJNFFAIA-HNNXBMFYSA-N 328.437 2.840 0 50 EFAA CN(C)c1ccnc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 130272433 VZUNMFZIVBCLCY-INIZCTEOSA-N 329.400 2.562 0 50 EFAA O[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 13834243 LVXYAFNPMXCRJI-GOSISDBHSA-N 329.419 2.857 0 50 EFAA in-vitro Cc1nc2ccc(NC(=O)NCc3ccc(-n4ccnc4)cc3)cn2n1 809896308 KEBINMKRERQFDO-UHFFFAOYSA-N 347.382 2.545 0 50 EFAA CCC(C)(C)c1ccc(Cn2cnc(S(=O)(=O)N(C)C)c2)cc1 905093343 VZNRGIFLBCTKLB-UHFFFAOYSA-N 335.473 2.869 0 50 EFAA CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C(=O)O)cc2)o1 2818700 DRHNMMKRAQQRBL-UHFFFAOYSA-N 330.340 2.853 0 50 EFAA O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1Cl 2856933 HEIJFSRMWCGJTO-UHFFFAOYSA-N 337.828 2.571 0 50 EFAA Cc1ccccc1Cn1ccc(NC(=O)c2cnn3cccnc23)n1 2879064 UYNJOUGVRWDHHU-UHFFFAOYSA-N 332.367 2.535 0 50 EFAA CCCCS(=O)(=O)C[C@@H](C(C)(C)C)S(=O)(=O)CCCC 2913666 HRECHQFQDJDQQL-ZDUSSCGKSA-N 326.524 2.831 0 50 EFAA COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC(C)C 6256340 IVNPAVPQEBONCG-UHFFFAOYSA-N 342.395 2.851 0 50 EFAA O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1F 8844233 MKCNPTHKVJCHDU-UHFFFAOYSA-N 333.388 2.519 0 50 EFAA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNCc1cc2ccccc2o1 328634690 MXSAQRCRSNWERK-RDJZCZTQSA-N 342.418 2.869 0 50 EFAA COc1cccc(CN(C)[C@@H](C)c2ccon2)c1OCCN(C)C 55402007 QMROOIDTYUYTNN-AWEZNQCLSA-N 333.432 2.817 0 50 EFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cc2ccccc2n1C 55401332 DSLSCJLCQHQONJ-KRWDZBQOSA-N 337.423 2.987 0 50 EFAA Cc1cc(NC(=O)Cn2ncc3ccccc32)n(-c2ccccn2)n1 20821212 MHRCYQCMDACMDV-UHFFFAOYSA-N 332.367 2.564 0 50 EFAA O=C(Nc1ccc(O)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100662854 DUSQLGQDIMILKW-UHFFFAOYSA-N 336.347 2.611 0 50 EFAA biogenic O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN2CCOC[C@@H]2C1 328588621 LKGZULVWJBOIFD-NSHDSACASA-N 348.752 2.515 0 50 EFAA COc1ccc(N2C(=O)C[C@H](Cc3ccccc3OC)C2=O)cc1 100548026 UMKNJUNJGCPOCZ-AWEZNQCLSA-N 325.364 2.826 0 50 EFAA CC(C)c1ncc(CN(C)S(=O)(=O)N(C)C2CCCCC2)cn1 328609481 MVAAWRLKSMXGTE-UHFFFAOYSA-N 340.493 2.541 0 50 EFAA CCC[C@@H](NCc1cccn1C)C(=O)N1CCc2sccc2C1 118998438 ZPBNPDWLFUGUCR-MRXNPFEDSA-N 331.485 2.930 0 50 EFAA CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c1 20310889 LBRVXLJNHSHRQB-LJQANCHMSA-N 338.407 2.901 0 50 EFAA CCOCCN1CCN(C(=O)Nc2c(F)cccc2F)C[C@@H]1CC 119704372 ZDIXQMICTLRIJB-ZDUSSCGKSA-N 341.402 2.929 0 50 EFAA C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)[C@@H](C)n1cccn1 229566354 OTQMZEWFJIPDHQ-OGHNNQOOSA-N 330.407 2.581 0 50 EFAA COc1ccc(-n2c(CCC(=O)O)nc3ccccc32)cc1CO 67755739 VTCXGPDHDURTHW-UHFFFAOYSA-N 326.352 2.544 0 50 EFAA C[C@H](NS(=O)(=O)CCC1CCOCC1)c1ccc(Cl)cn1 330299337 MGNHDIAYVBZMSW-NSHDSACASA-N 332.853 2.532 0 50 EFAA COc1cccc([C@H]2CCCN2Cc2nc(-c3cnccn3)no2)c1 11708319 BWYNOTHSBBSKSP-MRXNPFEDSA-N 337.383 2.872 0 50 EFAA COc1ccc(-c2noc([C@H](C)S(=O)(=O)c3ccccn3)n2)cc1 128442906 WSFKDGZMQVZHBG-NSHDSACASA-N 345.380 2.675 0 50 EFAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 202241 HJVMVBHZANZASR-UHFFFAOYSA-N 338.772 2.586 0 50 EFAA biogenic Cn1c(Cl)cnc1CN(Cc1ccccn1)[C@H]1CCCNCC1 283785415 VKIMQRBRCKBUEB-HNNXBMFYSA-N 333.867 2.613 0 50 EFAA NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 2566393 BGVAHNPIMLUQAI-UHFFFAOYSA-N 326.377 2.740 0 50 EFAA CCCc1ncc(CNC(=O)c2ccnc(OCC(F)(F)F)c2)o1 456504636 PAZQWTMYKRLHTI-UHFFFAOYSA-N 343.305 2.893 0 50 EFAA Cn1cc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1 6828212 AZGJZVHEZRITLK-UHFFFAOYSA-N 343.390 2.960 0 50 EFAA CCn1nnc(C)c1C(=O)N1CCC(F)(c2cccc(OC)c2)CC1 451436686 KUJQPQPKAXHTEO-UHFFFAOYSA-N 346.406 2.716 0 50 EFAA O=C(NC[C@@H]1CCC[C@H]1O)N[C@H]1CC2(CCC2)Oc2ccccc21 252476886 DFWIFSKWVWKXOL-CWRNSKLLSA-N 330.428 2.893 0 50 EFAA CN(Cc1ccccc1CNC(=O)C1(O)CCC1)C1CCCCC1 132749621 QMWOOTSPGYMSEZ-UHFFFAOYSA-N 330.472 2.982 0 50 EFAA COc1ccc(NC(=O)c2cc(C)no2)cc1N1CCCCC1=O 343131750 GAXHJIBNZMDPMS-UHFFFAOYSA-N 329.356 2.761 0 50 EFAA CCCS(=O)(=O)Nc1ccc(N[C@@H]2CCN(CC)C[C@H]2C)cc1 253370697 UZDNKQWVSFUVQP-RHSMWYFYSA-N 339.505 2.981 0 50 EFAA CC[C@@H](NC(=O)c1cnn2c1CCCC2)[C@H](O)c1c(F)cccc1F 253420102 DYKOWKVBUCZBPE-PBHICJAKSA-N 349.381 2.740 0 50 EFAA O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H](Oc2ccccc2)C1 253432621 LRXNITJZMWWFEI-CYBMUJFWSA-N 337.301 2.789 0 50 EFAA CCc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1CC 253418404 RIHNDSPINVDMMX-ROUUACIJSA-N 331.460 2.748 0 50 EFAA Cc1nc2ccccc2n1C1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 357355720 RZLNUANMODFLPJ-UZLBHIALSA-N 339.439 2.935 0 50 EFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCC(c2ncc[nH]2)CC1 215022187 GNCRQOVWXIPFMV-GOSISDBHSA-N 338.455 2.897 0 50 EFAA CCc1ncsc1NC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 154023990 VVRBMYZIPLLKAC-MRXNPFEDSA-N 345.468 2.842 0 50 EFAA CN(C)C[C@]1(O)CCCN(Cc2c(Cl)ccc(O)c2Cl)C1 72429681 LSVMXHRYSZCQSM-OAHLLOKOSA-N 333.259 2.588 0 50 EFAA CC(C)c1nccc(CN2CCCC[C@@H]2CCN2CCCC2=O)n1 77520127 YMBZROPEZRNYJO-QGZVFWFLSA-N 330.476 2.967 0 50 EFAA COc1ccc2c(c1)C1(CC1)CN(C(=O)CCc1ccc(O)nc1)C2 365713143 TTYOBZFRXQWSJL-UHFFFAOYSA-N 338.407 2.802 0 50 EFAA Cc1cc(C=C2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)no1 373537688 KYSZNIWZECUFDI-SFHVURJKSA-N 326.396 2.592 0 50 EFAA Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)nn1C 262559071 XNGKPAAJBQCSPG-OAHLLOKOSA-N 343.427 2.972 0 50 EFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cn(C)nc1C1CC1 291643683 GMMUZHQRAZIMFH-UHFFFAOYSA-N 327.310 2.611 0 50 EFAA CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1 40227526 MCFOFDRYUAWAAG-UHFFFAOYSA-N 329.404 2.981 0 50 EFAA C[C@@H]1CCCN(c2cc(NCc3cccnc3-n3ccnc3)ncn2)C1 290471902 GULCJUYTOJOUQA-OAHLLOKOSA-N 349.442 2.906 0 50 EFAA O=C(NCCN1CCCCC1)N(Cc1ccccn1)Cc1ccco1 426518967 MMRGGKYZEKWHGO-UHFFFAOYSA-N 342.443 2.872 0 50 EFAA NC1CC(c2cc(N3CCC(N4CCCCCC4)CC3)ncn2)C1 223633896 PZLQEYNLRSLYSL-UHFFFAOYSA-N 329.492 2.526 0 50 EFAA CCn1nc(C(C)C)cc1C(=O)NCCn1nc(C)c(Cl)c1C 91625348 HVCWKFSWZQWROC-UHFFFAOYSA-N 337.855 2.923 0 50 EFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NS(C)(=O)=O)C1 91876763 PIGIALFLRXHGPJ-AWEZNQCLSA-N 337.420 2.574 0 50 EFAA O=C(CCCOc1ccccc1)N1CCC[C@H](Cn2ccnc2)C1 91829865 MMJVZNFCDTTXCH-QGZVFWFLSA-N 327.428 2.981 0 50 EFAA CC(C)Cc1ccc(CN2CCC[C@H](c3nnc(CO)n3C)C2)s1 97492558 LFAWBSDTDWXLHZ-AWEZNQCLSA-N 348.516 2.947 0 50 EFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1nn(C)c2c1CCCC2 97797586 JGOCXKKAGIBXHC-SFHVURJKSA-N 340.471 2.674 0 50 EFAA Cc1noc(C)c1CCc1nc([C@@H]2CCOC2)nn1-c1ccncc1 96141332 WFFBXFCCTSQZHJ-CQSZACIVSA-N 339.399 2.556 0 50 EFAA CC(=O)c1cc(C(=O)NCCc2ccccc2C(F)(F)F)[nH]n1 97480404 NXLCLLNCXQMBAJ-UHFFFAOYSA-N 325.290 2.604 0 50 EFAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 230213641 DEIAKROIOIRXOO-MEDUHNTESA-N 347.463 2.608 0 50 EFAA Cn1cnc2cc(-c3ncnn3C3Cc4ccccc4C3)ccc2c1=O 91907812 CJFSKBXKGQYPRP-UHFFFAOYSA-N 343.390 2.532 0 50 EFAA COCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1)CC2 91326218 BZLWAIOTFWTVDQ-UHFFFAOYSA-N 345.443 2.570 0 50 EFAA Cc1nn(C)c2nc(N(Cc3ccncc3)C[C@@H]3CCCO3)sc12 95518433 ICZCCYHDGBRNKF-AWEZNQCLSA-N 343.456 2.919 0 50 EFAA Cc1ccc([C@H](C(=O)N2CCC3(CCN(C)CC3)C2)N(C)C)cc1 95375408 CCHRTUAQPMZURO-GOSISDBHSA-N 329.488 2.542 0 50 EFAA COc1ccccc1-c1cccc(NC(=O)N2CCOC[C@H](O)C2)c1 97759227 FERQQHSJSBEKEX-MRXNPFEDSA-N 342.395 2.587 0 50 EFAA COc1ccc2oc(CNC(=O)c3[nH]nc4c3C[C@H](C)CC4)nc2c1 244866688 WAQOBLPKIHTMQS-SNVBAGLBSA-N 340.383 2.614 0 50 EFAA Cc1noc(CCCC(=O)N2CCN(C3CC3)c3ccc(F)cc32)n1 185254744 LCIQEKSGFCBDAP-UHFFFAOYSA-N 344.390 2.855 0 50 EFAA Cc1cc(C)nc(S[C@@H](C)C(=O)N(C)Cc2c(C)n[nH]c2C)n1 299784183 ZGPUSRDLYVDUOB-ZDUSSCGKSA-N 333.461 2.573 0 50 EFAA CSCC[C@H](NC(C)=O)C(=O)NC1(c2ccc(Cl)cc2)CC1 299759137 OWYNGHXQFSCAKV-AWEZNQCLSA-N 340.876 2.703 0 50 EFAA COCCN(Cc1ccccn1)C(=O)Nc1cc(C)nn1CC(C)C 299794265 LHBOOFKDFMMEKV-UHFFFAOYSA-N 345.447 2.923 0 50 EFAA C[C@@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCCCC1 827627969 CQFOVUSKWOKCSR-INIZCTEOSA-N 326.444 2.933 0 50 EFAA O=C(N[C@@H]1CCCN(C2CCCC2)C1)N(CCO)Cc1ccccc1 584887684 RUHPXFZVORXSRS-GOSISDBHSA-N 345.487 2.598 0 50 EFAA O=C(CNC(=O)N1CCCC[C@H]1c1cccc(F)c1)N1CCCC1 584898838 RNLUONMEZVDRCR-INIZCTEOSA-N 333.407 2.685 0 50 EFAA C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(CO)nc1 952995259 GKMUSOFJWKFIKZ-LLVKDONJSA-N 349.228 2.697 0 50 EFAA Cc1cc(CNc2ccc(C)c(C(=O)NC3CC3)c2)nc(N(C)C)n1 1875299749 USSMYNIWWSKVHT-UHFFFAOYSA-N 339.443 2.664 0 50 EFAA Cc1cnc(NC(=O)Cn2nc(C)c(Br)c2C)s1 1875252057 PTSKEZFGBRPJKU-UHFFFAOYSA-N 329.223 2.666 0 50 EFAA C=CC(=O)N1CCC(C(=O)Nc2c(OC)ccc3c2CCC3)CC1 1875365425 HTFUOHYAGFNPEJ-UHFFFAOYSA-N 328.412 2.547 0 50 EFAA CN(CCOc1ccccc1)C(=O)[C@@H](Cc1cnc[nH]1)n1cccc1 952989526 QYJVGAZTAPBQGP-GOSISDBHSA-N 338.411 2.532 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(F)c(F)cc1F 952964999 BBHLPAIHAUHBGL-UHFFFAOYSA-N 348.284 2.946 0 50 EFAA Nc1nc2c(c(C(=O)N3CCCC[C@H]3c3nccs3)n1)CCCC2 952990112 KJNRCFTYKVLJTJ-ZDUSSCGKSA-N 343.456 2.762 0 50 EFAA Cc1cncc(C(=O)N2CCCN(c3ncnc4ccccc34)CC2)c1 1057115197 GQVJPQNILAQBSV-UHFFFAOYSA-N 347.422 2.686 0 50 EFAA CCCOc1ccc(-c2nc(-c3cn(CCO)nn3)cs2)cc1 887449559 ZRPKXWKPVCUNJR-UHFFFAOYSA-N 330.413 2.850 0 50 EFAA COc1cccc(Cl)c1CNC[C@H](C(=O)O)C1CCOCC1 888099826 UCYBXGMYMUXQEO-LBPRGKRZSA-N 327.808 2.566 0 50 EFAA CC[C@@H](NC(=O)N1CCC2(CC1)C[C@H]2C(=O)OC)c1nccs1 390832888 SEIPIQCSANNOJB-NWDGAFQWSA-N 337.445 2.579 0 50 EFAA Cc1cc(CNC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc(C)n1 1414092670 SOEHMDCONFBEPM-INIZCTEOSA-N 348.830 2.946 0 50 EFAA C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1364298069 QQFAPKXKFYXJGM-HZKQVJRISA-N 345.418 2.868 0 50 EFAA Cc1ncsc1C(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1319413517 APQJIXSQUBQKER-UHFFFAOYSA-N 328.353 2.588 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@H](NCCO)c2ccccc2)c1 1400087535 QAPOEIHXYAPOJY-KRWDZBQOSA-N 332.831 2.701 0 50 EFAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC12CCC2 170654312 NKDPBPVSQNAABB-OLZOCXBDSA-N 338.448 2.902 0 50 EFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2oc(C3CC3)nc2C)c1 282305089 BMPBQTHONNCZMC-GDBMZVCRSA-N 342.395 2.817 0 50 EFAA Cc1cc(N2CC[C@H](SC3=Nc4ccccc4C3)C2=O)n(C)n1 172925939 IFQDPIJRBNHFFP-AWEZNQCLSA-N 326.425 2.853 0 50 EFAA Cc1n[nH]cc1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 187376595 RXTVDYKZJDKDSL-CYBMUJFWSA-N 338.333 2.632 0 50 EFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cccc(CO)c2)n[nH]1 408473714 JRJFJNMRDCUFEM-HNNXBMFYSA-N 328.416 2.788 0 50 EFAA O=C(C1=CCCCCC1)N1CC[C@H](Nc2ccc3nccn3n2)C1 681935715 OEKWUZMOOQQALN-HNNXBMFYSA-N 325.416 2.633 0 50 EFAA Nc1ncnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1Cl 225520247 DHHAZLFOBBWGSZ-ZETCQYMHSA-N 346.744 2.838 0 50 EFAA Cc1ccc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c(Cl)c1 191615438 LBPITCTUAHIAPD-NSHDSACASA-N 329.849 2.686 0 50 EFAA O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCc2ccncn2)C1 191822487 DGOMUKNOFBMFDQ-HNNXBMFYSA-N 341.386 2.670 0 50 EFAA C[C@@H](NC1(CNC(=O)CC2OCCCO2)CCCC1)c1ccccc1 193257071 IOMXPMVVXZPDHM-MRXNPFEDSA-N 346.471 2.919 0 50 EFAA C[C@H](CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)CC1(C)OCCO1 195028159 OHTRNZORSWVVEB-VBNZEHGJSA-N 336.407 2.770 0 50 EFAA COc1nc(NC[C@H]2CCCN(Cc3ccccc3)C2)ncc1F 1704354327 BSONHPWTUYSFJN-OAHLLOKOSA-N 330.407 2.948 0 50 EFAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704299895 NFIPTHLEHPRKTD-APWZRJJASA-N 344.386 2.847 0 50 EFAA Oc1ccc(CC2CCN(Cc3nc(-c4ccco4)no3)CC2)cn1 1772812706 OXVONNCCQJNWTL-UHFFFAOYSA-N 340.383 2.885 0 50 EFAA CSCCC(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 12304024 SJNCQFFNQNJCIZ-GOSISDBHSA-N 347.528 2.895 0 50 EFAA CC[C@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 12328479 UIYFXMALLAFIIV-DZGCQCFKSA-N 325.412 3.000 0 50 EFAA COCC(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 12438635 YJKMWXPCCNXXSK-GFCCVEGCSA-N 329.318 2.773 0 50 EFAA O=C(N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)C1CCCC1 12479816 JRPOAJAETWVGKC-MRXNPFEDSA-N 334.847 2.790 0 50 EFAA CCc1c(C)nc(Nc2nc(C)c3ccc(OC)cc3n2)[nH]c1=O 13109197 DMCRKWAWEWZWFI-UHFFFAOYSA-N 325.372 2.645 0 50 EFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccccc1)CC2 14537022 SVJYHTGCOQZMFX-UHFFFAOYSA-N 338.455 2.601 0 50 EFAA CC(C)(C)CN1CCC[C@](O)(CNCc2ccc(Cl)s2)C1=O 14966212 OUWOITNGIIJETO-INIZCTEOSA-N 344.908 2.891 0 50 EFAA C[C@H]1CCc2c(C(=O)N3CCN(c4ncccn4)CC3)csc2C1 16602223 ZWNGVMHJXCRGME-ZDUSSCGKSA-N 342.468 2.625 0 50 EFAA COc1ccc(CC(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1 19799261 FJKUBIJIDQXHJQ-LJQANCHMSA-N 335.407 2.992 0 50 EFAA Cc1ccc(-c2cc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)on2)cc1 1857669646 FFRKPEUVNUBVMX-HNAYVOBHSA-N 342.395 2.573 0 50 EFAA Nc1c(F)cc(Cl)cc1C(=O)NCc1cccc(-n2cncn2)c1 225804314 DDOJOUVQMUWIRC-UHFFFAOYSA-N 345.765 2.572 0 50 EFAA CCCC[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 408519813 IEXZUXOEOMIROS-RWMBFGLXSA-N 334.382 2.682 0 50 EFAA CO[C@H](CSc1nnc(CN2CCCC2=O)o1)c1ccccc1 225776824 JFUQZFJPHWRWCW-CYBMUJFWSA-N 333.413 2.672 0 50 EFAA CCC(CC)n1nc(C(=O)N[C@@H]2CCN(CC(F)F)C2)cc1C 416355219 SHZHUUFLQIVBSU-GFCCVEGCSA-N 328.407 2.622 0 50 EFAA Cc1c(CCC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cnn1C 122147898 MNBKWVXBRDYGKB-MRXNPFEDSA-N 346.862 2.710 0 50 EFAA Cn1cc([C@@H]2CCN(S(=O)(=O)CC34CCC(CC3)CC4)C2)cn1 330359296 VVVUJHNFRLXLTH-ISXOHVOVSA-N 337.489 2.510 0 50 EFAA CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 245312413 JBYRRQNRWIYTKC-UXLLHSPISA-N 335.469 2.579 0 50 EFAA CO[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2-n2cccn2)CC[C@H]1C 251695988 JRXRVEOOWUMUAJ-IIDMSEBBSA-N 342.443 3.000 0 50 EFAA O=C(Nc1ccncc1)C1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 252477780 VLHDNWAGRAWSQD-FVQHAEBGSA-N 327.428 2.695 0 50 EFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cnn(CCF)c1 356146719 SFHJBHQJQRNDAP-MRXNPFEDSA-N 330.407 2.594 0 50 EFAA CCCCn1cc(CNC(=O)c2cccc3c2OCCO3)c(C)n1 358487541 YGPNLRCWLFVLPN-UHFFFAOYSA-N 329.400 2.693 0 50 EFAA O=C(O)Cc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1F 263165955 IWAULTOWUXDZMY-UHFFFAOYSA-N 335.356 2.839 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 900355666 XUWGEMRQEOTBNG-HNNXBMFYSA-N 340.427 2.679 0 50 EFAA Cc1ccc(-n2cc(CN(C)[C@@H](CO)Cc3ccccc3)nn2)cc1 906314287 SSRDFVOXRWAFTG-HXUWFJFHSA-N 336.439 2.611 0 50 EFAA Cc1ncsc1CN(C)S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 914082461 OEJOSGGVZDVVEO-HIFRSBDPSA-N 340.445 2.908 0 50 EFAA CC(C)(NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cnn[nH]1 822353648 GFFKTYVUYJNNHX-UHFFFAOYSA-N 333.701 2.537 0 50 EFAA Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc(CC(=O)O)cc1 833015247 BHLQPDPAOMYSAI-UHFFFAOYSA-N 341.289 2.633 0 50 EFAA CCc1[nH]nc(NC(=O)C[C@@H](C)NC(C)=O)c1-c1ccc(F)cc1 2100545226 KIFOGDUMPLYRGG-SNVBAGLBSA-N 332.379 2.631 0 50 EFAA COC(=O)[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl 2325739592 WGEPAHAPZLWRFL-MRXNPFEDSA-N 333.771 2.619 0 50 EFAA C[C@H](C(=O)N(C)CCN1CCCC1=O)c1ccc(F)c(Cl)c1 2325769766 KOOVMALIVQFPCL-NSHDSACASA-N 326.799 2.663 0 50 EFAA COc1ccc(CN2Cc3cccc(F)c3C[C@@H]2C(=O)O)c(C)n1 2325787147 FMYXLPWOASVAQW-MRXNPFEDSA-N 330.359 2.549 0 50 EFAA Cc1ccc([C@]2(O)CCN(C(=O)c3cnn4c3CCC[C@H]4C)C2)cc1 2325792896 TUWCMLOLTWTDJC-QRWLVFNGSA-N 339.439 2.823 0 50 EFAA CCCCc1oc2ccccc2c1C(=O)NC[C@H]1CN(C)CCN1C 2325862947 OIGKWYKURRMCBP-HNNXBMFYSA-N 343.471 2.751 0 50 EFAA C[C@H]1OCC[C@H]1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 225502429 SWYVKXCUCIQOIN-IAQYHMDHSA-N 343.395 2.561 0 50 EFAA CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 144619 KJJCFGQWSZWPHI-MNOVXSKESA-N 334.441 2.925 0 50 EFAA Cc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 183026 ZPFXHYHCUBXULF-KRWDZBQOSA-N 326.371 2.598 0 50 EFAA CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 211181 ZCAZCKQJTNGNQY-UHFFFAOYSA-N 338.407 2.940 0 50 EFAA CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(N)c1)C2=O 259241 BHUAEOAJLBTXDU-UHFFFAOYSA-N 338.363 2.882 0 50 EFAA O=C1[C@H](Cc2c[nH]c3ccccc23)NC(=S)N1Cc1ccccc1 270552 DWYPPIGSSKJBOL-KRWDZBQOSA-N 335.432 2.996 0 50 EFAA biogenic CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 483793 MDBDGNTXYRVBOI-ZYHUDNBSSA-N 336.457 2.870 0 50 EFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccn1 529143 DUFWIQBSOVLSNP-UHFFFAOYSA-N 340.832 2.921 0 50 EFAA COc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 615182 OTSLJUMXHGCSJN-UHFFFAOYSA-N 341.816 2.836 0 50 EFAA Cc1ncc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c(-c2ccccc2)n1 2356166237 YFKUSKLXHNPXCK-SHTZXODSSA-N 339.395 2.825 0 50 EFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 4841579 JUGNOQAMAFFZQV-UHFFFAOYSA-N 334.397 2.709 0 50 EFAA O=S(=O)(c1ccccc1)C1CC(N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 864086953 MDFYDUQQXHWBRP-IFUGLTITSA-N 335.469 2.539 0 50 EFAA CCOC[C@H](O)CNC(=O)c1ccc(CNc2ccc(C)cc2)cc1 55271876 MGPWMYVUONBRJF-LJQANCHMSA-N 342.439 2.734 0 50 EFAA Nc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(Cl)c1 9420990 PWOBZCHAWHONMX-UHFFFAOYSA-N 331.738 2.894 0 50 EFAA CC(C)Cc1noc([C@H](C)NC(=O)Nc2cc(C3CC3)nn2C)n1 102544542 YMBPSEYJLKHKOA-JTQLQIEISA-N 332.408 2.762 0 50 EFAA CN1CC[C@@H](NC(=O)c2nn[nH]c2-c2ccccc2)[C@H]1c1ccccc1 248664822 KPBZJZKYKGPRLJ-VQIMIIECSA-N 347.422 2.647 0 50 EFAA CC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(C(C)(C)C)cc2)C1 69104834 RPWMMMRVMJUPIX-KRWDZBQOSA-N 331.460 2.794 0 50 EFAA O=S(=O)(Nc1ncccc1-c1ccccc1)c1cnc2n1CCC2 437932603 IWUZDNGTZDEWIY-UHFFFAOYSA-N 340.408 2.692 0 50 EFAA Cc1csc([C@@H](NS(=O)(=O)c2nc(C)c(C)s2)C2CC2)n1 333188900 VCTPKJOXAPPYNY-NSHDSACASA-N 343.499 2.954 0 50 EFAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 238074449 GVTUGCIBAUTPDG-AGIUHOORSA-N 327.302 2.885 0 50 EFAA Cc1ccc(F)c(CN2CC[C@H]3NCCC[C@]3(C(=O)O)C2)c1Cl 72152869 DMPAZCSIQYBDOU-PBHICJAKSA-N 340.826 2.816 0 50 EFAA CN(CCO)c1ccc(-c2nc(CCCc3ccccc3)no2)cn1 72428284 SXOXSZFUQMSGKF-UHFFFAOYSA-N 338.411 2.735 0 50 EFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)c1 252509695 YTMLZXGPOVZHRF-APBUJDDRSA-N 337.894 2.509 0 50 EFAA Cn1cccc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1=O 355681897 KRFKKCAAMXUPJU-UHFFFAOYSA-N 335.363 2.503 0 50 EFAA CC(C)[C@@H]1CN(CCCN(C)C)CCC(=O)N1Cc1ccc(F)cc1 71756829 POTJQQQZDBKVSE-IBGZPJMESA-N 349.494 2.836 0 50 EFAA Nc1nccc([C@H]2CCCN(Cc3nc4ccc(F)cc4o3)C2)n1 367213666 OTKYQXABHQGDBG-NSHDSACASA-N 327.363 2.719 0 50 EFAA Cc1nc(C)n(C[C@H]2CN([C@H](C)CCc3ccccc3)CCO2)n1 257365826 SSXTVPRLEGFFGT-DNVCBOLYSA-N 328.460 2.617 0 50 EFAA O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1Cn1cncn1 363572453 FKDWCRHTOUKVII-LLVKDONJSA-N 339.321 2.993 0 50 EFAA CCNc1ncc(CN2CCCN(Cc3ccc(F)cc3)CC2)cn1 72145846 AMTDSUDQOQSLJX-UHFFFAOYSA-N 343.450 2.755 0 50 EFAA C[C@@H](OC1CCCCCC1)C(=O)NCc1nnc(S)n1C1CC1 155472869 CWFIJEAGVRORCB-LLVKDONJSA-N 338.477 2.646 0 50 EFAA O=C1NCCN(C(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccccc1F 371746978 NKCWCYCIXJACFW-QGZVFWFLSA-N 337.354 2.620 0 50 EFAA COCc1noc(CNc2cc(-c3ccccc3)nc3ccnn23)n1 72144851 CRHAOUUPASZBSU-UHFFFAOYSA-N 336.355 2.538 0 50 EFAA CCCc1nnc2sc([C@@H]3CCCN(c4ccccn4)C3)nn12 71422105 AVFDURHBNOBQFB-GFCCVEGCSA-N 328.445 2.917 0 50 EFAA CCc1nn(C)c(CC)c1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 286164313 ZHDSHTYFVRFFSO-QGZVFWFLSA-N 329.448 2.564 0 50 EFAA Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2c(C)cnn2C)c1 286156046 XPVCEAXIMMOJHA-MRXNPFEDSA-N 333.457 2.871 0 50 EFAA CCCCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72468901 SABMEZCNDGXRQW-INIZCTEOSA-N 346.475 2.518 0 50 EFAA COc1cccc2c(C(=O)N3CCC[C@H]3c3cn(C)nc3C)n[nH]c12 377430627 IJTAJPXUVVUUFO-AWEZNQCLSA-N 339.399 2.591 0 50 EFAA CN(Cc1cc2n(n1)CCCN(Cc1ccco1)C2)Cc1ccno1 72165511 IKVYCVBKHNRSLS-UHFFFAOYSA-N 341.415 2.502 0 50 EFAA O=C(c1cccc2ccsc12)N1CC[C@H](C(=O)N2CCCC2)C1 286661118 GKJDLMNPNVJDPZ-AWEZNQCLSA-N 328.437 2.986 0 50 EFAA O=C(c1ccc(-c2cc[nH]n2)nc1)N1CCC(Oc2cccnc2)CC1 71730268 UDZQQTDAOUPROR-UHFFFAOYSA-N 349.394 2.550 0 50 EFAA CN(C)c1cccc(C(=O)N2CCC(CCn3cccn3)CC2)c1 223866637 XMVNSWJILKMSMZ-UHFFFAOYSA-N 326.444 2.892 0 50 EFAA CO[C@@](C)(c1nc(-c2ccc(-n3c(C)c[nH]c3=O)cc2)no1)C1CC1 291135698 XACODCYYXMITHR-GOSISDBHSA-N 340.383 2.796 0 50 EFAA CCn1nccc1CN(C)S(=O)(=O)c1ccc2ccccc2c1 20602186 WVEWFZLWZYURQJ-UHFFFAOYSA-N 329.425 2.877 0 50 EFAA CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C)nc21 20605948 WOCZPENKDWDDLN-UHFFFAOYSA-N 328.338 2.983 0 50 EFAA CCc1ccc(C(=O)N2CCN(C(=O)c3csnc3C)CC2)cc1 179670195 ARLGWXGBLVNBDZ-UHFFFAOYSA-N 343.452 2.612 0 50 EFAA Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1ccc(F)cc1 220133976 OGMDJBDXZAXFCK-UHFFFAOYSA-N 348.341 2.886 0 50 EFAA COc1ccccc1OC1CN(C(=O)Cc2ccc(N(C)C)cc2)C1 82139078 SSDXBUZEYXXNBT-UHFFFAOYSA-N 340.423 2.594 0 50 EFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(c1ncc(F)cn1)CC2 426618062 DFEOHIMOMKVOCY-RVKKMQEKSA-N 344.390 2.606 0 50 EFAA O=C(NCCCc1ccccc1F)C1CCN(C(=O)C2CCC2)CC1 91935149 ZIGAKEDKRUQVDA-UHFFFAOYSA-N 346.446 2.913 0 50 EFAA CCO[C@H]1C[C@@H](O)C12CCN(C1CCN(c3ccccc3)CC1)CC2 92081492 XFCUCUCZUBMPOS-UXHICEINSA-N 344.499 2.907 0 50 EFAA Cc1cccc(CN2CCC[C@@]3(CCN(CC(=O)NC4CC4)C3)C2)c1 426477787 VQESLONAVAQRPG-OAQYLSRUSA-N 341.499 2.562 0 50 EFAA O=C(O)[C@@H](c1ccccc1)N1CCC(CCN2CCCC2=O)CC1 95380750 UZWPGXHVMBFIQW-GOSISDBHSA-N 330.428 2.537 0 50 EFAA CCOc1ccc2nc(CN3CCC4(CC3)C[C@@H](O)CO4)ccc2c1 97772772 RARXJNAWZLPOMG-QGZVFWFLSA-N 342.439 2.749 0 50 EFAA O=C(NCc1c(F)cccc1F)c1cnc(-c2cccnc2)nc1 97436992 KHULBQGAOPYAOK-UHFFFAOYSA-N 326.306 2.747 0 50 EFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCN2CCCC2)C1 95361852 WMWJEZUHJIAQHA-QGZVFWFLSA-N 332.492 2.875 0 50 EFAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 97675293 ZZDNWNVQKTZJBM-CYBMUJFWSA-N 343.456 2.561 0 50 EFAA Cc1cccc([C@@H](C(=O)NCCNc2ncccc2C)N(C)C)c1 91829643 QTAUNRXEZJDTEN-KRWDZBQOSA-N 326.444 2.529 0 50 EFAA Cc1ccc(OC[C@H](O)CNC(=O)C2(c3ccc(F)cc3)CC2)cc1 91651579 QWYRYCBVURXKEH-QGZVFWFLSA-N 343.398 2.722 0 50 EFAA COc1cc(NC(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)ncn1 182190085 PRYJZPYQDKKSPQ-FZMZJTMJSA-N 346.362 2.618 0 50 EFAA Cc1ccc(CN2CCN(Cc3[nH]nc(C)c3Cl)CC2=O)cc1 97716866 MTTWHQMRNYWGKO-UHFFFAOYSA-N 332.835 2.524 0 50 EFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cccc2nccnc12 244763801 OVWWPPLVLSRBBM-GPMSIDNRSA-N 347.418 2.742 0 50 EFAA COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCCC1 247813681 DZXFFSGYXRUIDR-RBUKOAKNSA-N 330.472 2.926 0 50 EFAA COc1cccc(Cl)c1CNC[C@@H]1CCO[C@H]1c1ccnn1C 299744914 VMGOGXMXGZFSTC-YVEFUNNKSA-N 335.835 2.950 0 50 EFAA O=C(O)C[C@@H](NC(=O)c1cccc2c1OCO2)c1ccc(F)cc1 299746630 YSLPWFKKJTVHBC-CYBMUJFWSA-N 331.299 2.500 0 50 EFAA Cc1nccn1CC[C@@H]1CCCCN1CCC(=O)Nc1nccs1 252488588 IVCPDBYIJHDXSZ-HNNXBMFYSA-N 347.488 2.921 0 50 EFAA COc1ccc2c(ccn2CCNC(=O)c2c(C)cc(C)nc2O)c1 252485414 GULAOHLTRXWFJX-UHFFFAOYSA-N 339.395 2.797 0 50 EFAA biogenic COc1cccc(N2CCC(N[C@H](c3ncnn3C)C(C)C)CC2)c1 534636291 NUNGNISFWCTCKO-SFHVURJKSA-N 343.475 2.779 0 50 EFAA Cc1nc(C)c(C(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)[nH]1 534632942 DGJIOPPYQPWVLT-LLVKDONJSA-N 325.372 2.876 0 50 EFAA CN(CCn1ccnc1)C(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1 534588993 WKXUENRPPKRYIJ-UHFFFAOYSA-N 349.438 2.929 0 50 EFAA Cc1cncnc1C1CCN(C(=O)Cc2noc3ccccc23)CC1 299802332 YTZVXQXLBJGPLH-UHFFFAOYSA-N 336.395 2.875 0 50 EFAA Cc1cc(C)n(CC2(CNc3cc([C@@H]4CCOC4)nc(C)n3)CC2)n1 299774497 JPUDXTOVWVLWNE-MRXNPFEDSA-N 341.459 2.995 0 50 EFAA Cc1ccc(Cn2ncnc2[C@@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 825176637 DGYKTBRPCKBDEU-MRXNPFEDSA-N 348.406 2.861 0 50 EFAA NC[C@@]1(C(=O)N2CCC[C@@H](c3ccc(F)c(O)c3)C2)CC12CCC2 1875292369 GBPHNVGDZBKPQY-AUUYWEPGSA-N 332.419 2.756 0 50 EFAA Cc1ccn(-c2ccccc2C(=O)N2CCC[C@H]([C@H]3CCNC3)C2)n1 1875287400 IPKQROFPBUPNOS-IRXDYDNUSA-N 338.455 2.642 0 50 EFAA CO[C@@H](CS(=O)(=O)Nc1ccc2n[nH]cc2c1Cl)C(C)C 1875278986 CTTWIWUVXMLBIP-LBPRGKRZSA-N 331.825 2.629 0 50 EFAA Cc1cc(C(=O)O)ccc1C(=O)N[C@H](c1cccnc1)C(C)(C)CO 1875277520 PBBZQXNSDBVKTC-MRXNPFEDSA-N 342.395 2.578 0 50 EFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc2ccccc2c1 1875402464 HLOQDTZCCKENHG-GDIGMMSISA-N 335.407 2.606 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)N1CCCN(c2ccccc2)CC1 952988355 RCYSQIDHPGEVLF-BQYQJAHWSA-N 342.464 2.993 0 50 EFAA CN1CC[C@@](C)(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2F)C1 952983966 MKVAQASFRFTFLD-OAHLLOKOSA-N 348.871 2.583 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cnc2ccccc2c1 1565511570 YDBHNPRADJYFAL-ROUUACIJSA-N 349.390 2.596 0 50 EFAA COc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1OCCN(C)C 1565526177 OJSOKKVVZNJQIB-ROUUACIJSA-N 348.487 2.779 0 50 EFAA CCc1nc(CN(C)S(=O)(=O)C[C@H]2CCC3(CCC3)O2)cs1 1364761343 QQVMAXQOXMVMBG-CYBMUJFWSA-N 344.502 2.569 0 50 EFAA Cn1cc(C(=O)NCCc2coc(-c3ccccc3)n2)c(C(F)F)n1 1319485180 LZEWMTCLFVOJDC-UHFFFAOYSA-N 346.337 2.985 0 50 EFAA O[C@H](CNc1ccc2nnc(C(F)F)n2n1)c1ccc(Cl)s1 170046368 CPIAMMGDQQMVRF-ZCFIWIBFSA-N 345.762 2.922 0 50 EFAA CO[C@H](C)[C@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 170604797 ZOVGOUPDCHLCRP-VHSXEESVSA-N 339.486 2.940 0 50 EFAA COc1cc(C(=O)N2C[C@H](OC)[C@@H](OC)C2)ccc1OC1CCCC1 170612151 UGFZHNLINDIULG-ROUUACIJSA-N 349.427 2.502 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2c(C)nn(C)c2Cl)c1 282242488 PZAMEGUPMPCHQZ-XJKSGUPXSA-N 335.835 2.698 0 50 EFAA C[C@H](NC(=O)c1ccoc1C1CC1)[C@H](O)c1ccc2c(c1)OCO2 408515765 VHTGCGMNTYEVNA-QFYYESIMSA-N 329.352 2.738 0 50 EFAA CC(=O)N(C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC1 412311099 WWPAAPINLIHXDX-OTWHNJEPSA-N 326.440 2.792 0 50 EFAA CNC(=O)[C@@H]1CCCN(Cc2csc(-c3ccc(OC)cc3)n2)C1 111263338 XKRASAPUQOACIQ-CQSZACIVSA-N 345.468 2.777 0 50 EFAA CC1(C)C(=O)NCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 225559745 YZMLSSVCNRPXRF-QWRGUYRKSA-N 341.238 2.834 0 50 EFAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 189726795 ZNINRINUSHLIDB-TZMCWYRMSA-N 334.445 2.910 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](Nc3ccc(C(N)=O)cc3)C2=O)c(C)c1 190794770 BEVDVTQKHMUWNJ-QGZVFWFLSA-N 337.423 2.928 0 50 EFAA NS(=O)(=O)c1cccc(NCc2cccc(OC(F)F)c2)c1 191691984 YEMYNNRTGZZCIH-UHFFFAOYSA-N 328.340 2.548 0 50 EFAA Cc1oc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1C 666040555 XUFVNCVPFPRHMC-QAPCUYQASA-N 326.396 2.955 0 50 EFAA Cc1cc(C)c(CC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(C)c1 1704336090 GEIFZYXPINDZEZ-IXDOHACOSA-N 328.456 2.527 0 50 EFAA CSCc1noc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)n1 220217358 JBCQJBFVRBEBSU-CABCVRRESA-N 336.505 2.629 0 50 EFAA CC(C)N1C[C@H](CN(C)Cc2cccc(CN(C)C)c2)CCC1=O 1775984435 UJEDARHWNMTPTL-IBGZPJMESA-N 331.504 2.827 0 50 EFAA C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1cccc2ccccc12 18219289 USYJAOORALYPOL-SNVBAGLBSA-N 340.408 2.625 0 50 EFAA Cc1n[nH]c(SCC(=O)Nc2c(Cl)cccc2Cl)nc1=O 18227536 OIQKULDCLJXHOP-UHFFFAOYSA-N 345.211 2.511 0 50 EFAA CN(C)CC[C@H]1CN(C(=O)c2ccc3cccc(Cl)c3n2)CCO1 19148216 VEQIEVPHBPJICU-AWEZNQCLSA-N 347.846 2.681 0 50 EFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1)c1ccsc1 219391175 ATIBISZIAIHUNC-HLLBOEOZSA-N 329.421 2.925 0 50 EFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1ccc(OC)c(OC)c1OC 1857677863 PEAMJQZKUKSTGD-GMBSWORKSA-N 335.444 2.838 0 50 EFAA CC(C)=CC[C@@]1(C(=O)NCCCNc2cccnc2)C[C@@H]2CC[C@H]1N2 1857700238 FJHBDYVBQNRWLT-ILZDJORESA-N 342.487 2.867 0 50 EFAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3ccccc3Cl)C[C@H]2CO1 1857729120 KAIDFZRROWUJED-KKUMJFAQSA-N 347.846 2.600 0 50 EFAA COc1cc(C(=O)NCC2(c3c(F)cccc3F)CCC2)nn1C 412630864 PDRPWSGPEKZSHR-UHFFFAOYSA-N 335.354 2.559 0 50 EFAA O=C(NCC1(C2CC2)CC1)[C@H]1CCCN1C(=O)Cc1ccccc1 118987545 PRCQLCGPMUWBLB-QGZVFWFLSA-N 326.440 2.527 0 50 EFAA CN1CC[C@H](Nc2ncnc3c2cnn3C)[C@H]1c1ccc(Cl)cc1 132511410 AJRRSKGGNFXEFR-LSDHHAIUSA-N 342.834 2.874 0 50 EFAA c1nc(NCC2CCN(C3CCOCC3)CC2)c2sccc2n1 664150309 LQCARNSWMDDTGP-UHFFFAOYSA-N 332.473 2.994 0 50 EFAA O=C(Cc1c[nH]c2ncccc12)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348240496 ICLKIYATBHRYOZ-WBVHZDCISA-N 339.370 2.579 0 50 EFAA Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ncccn3)no2)o1 253418536 SWSYGMVJZYBSTA-GFCCVEGCSA-N 339.355 2.795 0 50 EFAA COc1ccc(Cl)cc1CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 365748181 AQFZBSUZYPDQOB-QGZVFWFLSA-N 338.835 2.566 0 50 EFAA Cc1ncc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c(C)n1 262833165 YBCZMBBUDVUJSZ-UHFFFAOYSA-N 329.356 2.831 0 50 EFAA C[C@@H](Sc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 263704400 NOJFHDNLXPWYJW-GHMZBOCLSA-N 326.849 2.545 0 50 EFAA Cc1nnccc1C(=O)N1CCC[C@H]1c1cncc(Br)c1 900662111 LKSMALWYNQUKCO-AWEZNQCLSA-N 347.216 2.920 0 50 EFAA CCc1nccn1C[C@H]1CCCN1C(=O)c1ccnn1C1CCC1 826916146 ASOIVWGRDFJGBC-OAHLLOKOSA-N 327.432 2.672 0 50 EFAA COc1ccc(N2C[C@H](C(=O)Nc3cccc(OC)c3)CC2=O)cc1 85139 URWNYJYGZVQTKZ-CYBMUJFWSA-N 340.379 2.695 0 50 EFAA Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19848719 YLEAUZRUDYETMU-UHFFFAOYSA-N 338.407 2.682 0 50 EFAA O=C(NC1CC1)[C@@H](NCC1CC2(CCOCC2)C1)c1ccc(F)cc1 2325772383 LRIVJZNUOVXOEK-SFHVURJKSA-N 346.446 2.942 0 50 EFAA O=C(NCc1ccc2ccccc2c1F)c1c[nH]nc1[C@H]1CCNC1 2325779296 WJOWIQXEGXSUSV-AWEZNQCLSA-N 338.386 2.709 0 50 EFAA C[C@]1(C(F)(F)F)CCN(S(=O)(=O)C2[C@H]3CCCC[C@H]23)CCO1 2325782871 LIHULRFNDHLBEY-GMXVVIOVSA-N 341.395 2.548 0 50 EFAA CN(C(=O)c1ccc(-c2ccc3occc3c2)nn1)C1CCNCC1 2325796837 SMMKFYJGCRYPOC-UHFFFAOYSA-N 336.395 2.714 0 50 EFAA O=C(COC(=O)c1cccc2ncccc12)Nc1ccc(F)cn1 2325853934 ILUSSYFMCXWKHT-UHFFFAOYSA-N 325.299 2.564 0 50 EFAA Cc1cccc2nc(CNC(=O)[C@]3(C(=O)O)C[C@@H]3c3ccccc3)cn12 907814659 QTDNPEILFIPYQB-UZLBHIALSA-N 349.390 2.517 0 50 EFAA Fc1ccccc1CSc1nnnn1-c1ccc2c(c1)OCO2 28981 GHOXGHPAULYOQT-UHFFFAOYSA-N 330.344 2.822 0 50 EFAA CCOC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 203394 VDXOKNKKQBJZME-UHFFFAOYSA-N 329.400 2.820 0 50 EFAA CC(C)CC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC(C)C)cc1 282361 LZHHXMTUPFCJKR-UHFFFAOYSA-N 340.445 2.522 0 50 EFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O 488447 AOBBQNFQVXYECH-UHFFFAOYSA-N 346.379 2.811 0 50 EFAA OC1CCN(c2cncc3ncc(-c4cccc5ncccc45)n23)CC1 2356154296 PUXDXBMQOZZZFB-UHFFFAOYSA-N 345.406 2.906 0 50 EFAA CN1C(=O)N(C(=O)c2ccccc2)C(=O)[C@](C)(C2=CCCCC2)C1=O 2899273 VBRIMLHCRHAZCZ-LJQANCHMSA-N 340.379 2.754 0 50 EFAA COc1ccc(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 4740656 YWCZJMAHDRRTKM-UHFFFAOYSA-N 331.368 2.902 0 50 EFAA biogenic O=C(O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1 8732489 VHGRUQDIDUZEAI-ZDUSSCGKSA-N 329.327 2.842 0 50 EFAA CCCC[C@H]1CN(CCNC(=O)[C@H]2CCOC2)Cc2ccccc2O1 104345406 YQTQFULRFZQOOT-ROUUACIJSA-N 346.471 2.593 0 50 EFAA COc1cccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1OC 101791971 YJANRONIWZZKHJ-ZOBUZTSGSA-N 344.455 2.650 0 50 EFAA COc1ccc(Oc2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cc2)cc1 63883741 FFJVWXRERGASTB-QGZVFWFLSA-N 342.395 2.727 0 50 EFAA Cc1c(CN2CC[C@@H](CNC(=O)c3cccnn3)C2)[nH]c2ccccc12 67817400 RVQJZVBDHSGQJQ-HNNXBMFYSA-N 349.438 2.518 0 50 EFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 230152005 GQDZTYQRBAJTPW-XHBSWPGZSA-N 344.459 2.925 0 50 EFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)CC2)no1 328627224 FWLNLHVVXHUYLP-JKSUJKDBSA-N 332.448 2.547 0 50 EFAA COc1cc(C(=O)OCc2cc(C)nc(C)c2O)cc(OC)c1OC 22016843 QTDMXNZMOXEVNL-UHFFFAOYSA-N 347.367 2.787 0 50 EFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(-c2nnc(S)o2)cc1 124335704 JYBQCNVQCIUTSA-XQQFMLRXSA-N 345.424 2.569 0 50 EFAA CO[C@@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1cccs1 65489421 LEDYBNALZLNDLQ-AWEZNQCLSA-N 340.408 2.718 0 50 EFAA Cc1noc(C)c1CNC(=O)c1ccccc1S[C@@H](C)C(=O)O 137152871 GFLKKZPDVYGMIS-NSHDSACASA-N 334.397 2.787 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(F)cc2nc(S)[nH]c12 126823773 QWYBXNCDDYWYCR-XWIASGKRSA-N 335.404 2.678 0 50 EFAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H]1C[C@@]12CCOc1ccccc12 332856933 DLSHLAIQKUNXIC-JLTOFOAXSA-N 349.390 2.625 0 50 EFAA COc1ccccc1N1CCC[C@@H](N[C@H]2C[C@H](C)O[C@H](C)C2)C1=O 241644372 PQFNHZCJDJMALM-QKPAOTATSA-N 332.444 2.736 0 50 EFAA COC(=O)c1nc([C@@H]2CCCN2c2nc(C)cc(OC)n2)sc1C 241657641 PXYUFQGYOMXRAG-NSHDSACASA-N 348.428 2.687 0 50 EFAA CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@@H](N)C[C@@H]2C)c1Cl 236733467 AMWGCDGZWZEMND-XFUXEANSSA-N 338.883 2.996 0 50 EFAA C[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c2ccccc2O1 333127143 HIXFHIJENQKFAF-STQMWFEESA-N 347.440 2.757 0 50 EFAA COCc1nnc(NC(=O)CCn2ccc3ccc(F)cc32)s1 36354792 CKDAIARJLXGPMY-UHFFFAOYSA-N 334.376 2.807 0 50 EFAA COc1cccc([C@H]2C[C@H](O)CN2c2nc(O)c3ccccc3n2)c1 283521232 NCWOEHPHEKPHJG-SUMWQHHRSA-N 337.379 2.656 0 50 EFAA Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CC[C@@H](N)C3)cc12 237644712 HUNISEAGBHMZPI-GFCCVEGCSA-N 344.415 2.708 0 50 EFAA CCc1nn(C)cc1CN1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 241965739 UVGGMTISUDYQTN-AWEZNQCLSA-N 348.472 2.871 0 50 EFAA Cc1nccn1C[C@H](C)CNC(=O)N[C@H](C)[C@H]1COc2ccccc21 242047832 VQLTWCIZUCZPIM-CKEIUWERSA-N 342.443 2.692 0 50 EFAA CC(C)c1ccccc1N(C)C(=O)c1c2n(c(=O)n1C)CCCC2 452136766 AKDHIZHJOUJQJU-UHFFFAOYSA-N 327.428 2.923 0 50 EFAA COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1C 39536990 BWQHJPCCDSAJNM-LJQANCHMSA-N 332.488 2.815 0 50 EFAA O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCc2sccc2C1 252512775 VLPUOPJEDCQPJD-ZTFGCOKTSA-N 346.496 2.570 0 50 EFAA Cc1cc(NCCNC2CC(c3ccccc3C)C2)n2ncnc2n1 252551363 UCYDTFHHZAJBEB-UHFFFAOYSA-N 336.443 2.689 0 50 EFAA Cc1ccc(CN(C(=O)Cn2cnnn2)[C@@H]2CCc3ccccc32)cc1 343706095 IJRFJFVCJZQFIJ-LJQANCHMSA-N 347.422 2.698 0 50 EFAA CC(C)[C@H]1CN(C(=O)COc2ccccc2O)CCCN1CC1CC1 71681384 GAYCETUNZMWJQR-QGZVFWFLSA-N 346.471 2.740 0 50 EFAA C[C@H]1Cc2ccccc2CN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 247064651 WGUPIIIGSFOLSE-IFXJQAMLSA-N 345.464 2.570 0 50 EFAA CC(C)n1cnnc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 174638206 QJZSUHWRXLYRAP-QGZVFWFLSA-N 341.459 2.530 0 50 EFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC2(C1)Oc1ccccc1O2 368355941 SWCWSSCRIJTDIU-UHFFFAOYSA-N 348.358 2.542 0 50 EFAA CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1Cn1cccn1 371061279 FJDAKGNLWRGZEZ-MRXNPFEDSA-N 329.448 2.674 0 50 EFAA c1coc(-c2nc3c(c(NCCc4nccs4)n2)CCNCC3)c1 72475019 YAYJRPICANLCBV-UHFFFAOYSA-N 341.440 2.536 0 50 EFAA CCn1c([C@@H]2CCCN2C(=O)c2cnsn2)nc2ccccc21 157300064 RSYNNLWSENEAIA-AWEZNQCLSA-N 327.413 2.885 0 50 EFAA Nc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)ccn1 72475222 GUZCQFQDSSIASK-CQSZACIVSA-N 325.347 2.657 0 50 EFAA O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(c3ccccc3oc2=O)O1 217847763 MDLOWGGMOWXBPG-ZDUSSCGKSA-N 336.299 2.932 0 50 EFAA biogenic CSc1nc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cs1 219702182 LQDLNDMMTPAUAJ-LBPRGKRZSA-N 348.497 2.906 0 50 EFAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(C(=O)O)cc1 375417533 VCZZOLGRPRVQPV-PXAZEXFGSA-N 325.364 2.849 0 50 EFAA CC[C@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1ccnn1C 218970313 QJWQUUZGIONRGI-KRWDZBQOSA-N 340.471 2.651 0 50 EFAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 378388388 NHJSUPIUSBIAHQ-IXDOHACOSA-N 336.863 2.849 0 50 EFAA Cc1cc(CC(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)on1 219813196 CPNVUYHCZHMMOL-UHFFFAOYSA-N 332.791 2.804 0 50 EFAA C/C=C/CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72407709 HVQVOVHJGYEJCZ-NUALSEBGSA-N 341.455 2.779 0 50 EFAA Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C 286439516 TXWYBHZOSUMTCR-XKQJLSEDSA-N 337.847 2.959 0 50 EFAA CN(C(=O)CN1Cc2ccccc2OC(C)(C)C1)c1nccs1 288543265 AEAHXQVXDXOXAQ-UHFFFAOYSA-N 331.441 2.779 0 50 EFAA O=C(NC1CCN(c2cnccn2)CC1)c1cc(-c2ccccc2)on1 82155671 XGMJDZUFBQLCQY-UHFFFAOYSA-N 349.394 2.530 0 50 EFAA Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@H]1c1nnc(O)[nH]1 19340509 WKWOMMQEUXVXTN-AWEZNQCLSA-N 343.362 2.950 0 50 EFAA CCCn1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1 20607527 RUTPXXIBGRVWIF-UHFFFAOYSA-N 341.337 2.636 0 50 EFAA O=C(NCc1csc(N2CCCC2)n1)c1ccc2c(c1)CCCO2 426503889 AXSSXGZPUYIBCM-UHFFFAOYSA-N 343.452 2.998 0 50 EFAA COCC[C@]1(O)CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1C 91486811 SPJDZCBRUCFCON-OXQOHEQNSA-N 346.471 2.536 0 50 EFAA O=C(CCCc1cn[nH]c1)N1CCC(OCc2ccccc2)CC1 96133091 QHAFOOIHJSZDJO-UHFFFAOYSA-N 327.428 2.940 0 50 EFAA CCc1nccn1CCC(=O)N1CCC[C@](CC=C(C)C)(C(=O)O)C1 91381338 QQFGJJXKJVOWTR-LJQANCHMSA-N 347.459 2.885 0 50 EFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3=O)ccn1 91305791 FNBFHBXKMXIABM-FUHWJXTLSA-N 341.455 2.673 0 50 EFAA CN(c1ncccc1C(=O)N1CCc2[nH]cnc2C1)C1CCCCC1 95389421 YNGHOGDUDCQUCB-UHFFFAOYSA-N 339.443 2.772 0 50 EFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1c(F)cccc1Cl 244794816 QUEBNEISOOHVEU-XJKCOSOUSA-N 348.805 2.986 0 50 EFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cccn2)cc1 299742295 AZAVORWEPZWFPR-SFHVURJKSA-N 347.374 2.524 0 50 EFAA Cc1ccc([C@H](NC(=O)N2CCOCC2)c2cccnc2)cc1C 534642753 DSTWDGISGJYQHW-SFHVURJKSA-N 325.412 2.830 0 50 EFAA O=C1NC[C@@H](NC2CCCCC2)n2nc(-c3ccc(F)cc3)cc21 263617465 NXQQTLBEZYTHQD-KRWDZBQOSA-N 328.391 2.854 0 50 EFAA C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)c2ccccc2NC1=O 185037016 WMZHPWRZWPNUIB-GFCCVEGCSA-N 337.383 2.670 0 50 EFAA COc1c(C)cc(NC(=O)NCCCCCN2CCOCC2)cc1C 299793281 HYFMFDDNQRXFGR-UHFFFAOYSA-N 349.475 2.936 0 50 EFAA CC[C@H](NC(=O)c1ccccc1N1CCOCC1)c1ccncc1 822662181 VTALOKDBVMSNCP-KRWDZBQOSA-N 325.412 2.799 0 50 EFAA COc1ccc(CCNC(=O)C2(N3CCCC3)CCCC2)cc1OC 824549272 XJKVELDAJQTWKC-UHFFFAOYSA-N 346.471 2.771 0 50 EFAA Cc1nccn1Cc1ccccc1NC(=O)CN(C)Cc1ccncc1 823715097 NRKREBJFCHKRAS-UHFFFAOYSA-N 349.438 2.705 0 50 EFAA O=C(c1cc2ncccn2n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 584886756 YKOYSVOYQBLEFP-CYBMUJFWSA-N 347.378 2.890 0 50 EFAA COc1cccc(OC2CN(C(=O)NCc3cnc(C)c(C)c3)C2)c1 584893378 OJWNBGKJUPYLAG-UHFFFAOYSA-N 341.411 2.680 0 50 EFAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CC34CCC4)CC2=O)cc1C 584887808 KTNFLKQUHFEZNO-KRWDZBQOSA-N 326.440 2.664 0 50 EFAA COc1cc(Cl)ccc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 952887462 PNHNLNZZYMLZJA-BMIGLBTASA-N 335.791 2.579 0 50 EFAA O=C(C[C@@H](O)c1ccccc1)N1CC[C@@H](CO)[C@@H](c2ccccc2)C1 1875312901 JLVYHYJKIAWPLF-XUVXKRRUSA-N 339.435 2.735 0 50 EFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)[C@H]1CC(=O)C1(C)C 1875323964 FCUVEQHPAVMBLL-NUJGCVRESA-N 343.423 2.525 0 50 EFAA CN(C)Cc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 1875302125 ASIGTGZOTJZRIH-UHFFFAOYSA-N 334.423 2.664 0 50 EFAA CO[C@@H]1CC[C@H](c2nc(-c3ncc[nH]3)nn2-c2nc3ccccc3[nH]2)C1 1875335824 IQRLNBDIWGYOTG-NWDGAFQWSA-N 349.398 2.816 0 50 EFAA C[C@H](CNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ncccc1F 1875313451 QWVWUFYNGUWOSA-PSLIRLAXSA-N 340.757 2.967 0 50 EFAA CCC(=O)N[C@H](C)C(=O)Nc1cc(NC(=O)CC(C)C)ccc1C 952987913 OQPUMPQHBYNCDI-CYBMUJFWSA-N 333.432 2.833 0 50 EFAA Cc1nc(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)n[nH]1 895138954 WFSXXTGPGYPUIU-AWEZNQCLSA-N 337.786 2.856 0 50 EFAA C[C@H](C(=O)Nc1cc(C(F)(F)F)no1)N1Cc2ccccc2C1=O 895567495 QOSSRMSWRWUHGC-MRVPVSSYSA-N 339.273 2.676 0 50 EFAA CC(=O)N(C)Cc1cn([C@@H](C)c2ccccc2Br)nn1 899729874 DCLNFAVDXUGQTR-JTQLQIEISA-N 337.221 2.628 0 50 EFAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1cccn1C1CC1 1565529859 AKMZOCVATMEVET-WMZOPIPTSA-N 344.386 2.928 0 50 EFAA COCc1nc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)cs1 1468569050 IGZXRMVTEVKXLR-UHFFFAOYSA-N 328.397 2.610 0 50 EFAA NC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2ccccc2)ccc1F 683732506 YZDQOAIJCZJMDW-INIZCTEOSA-N 327.359 2.532 0 50 EFAA CC[C@H](NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)[C@@H](O)C(F)(F)F 277254318 QFHXOVSIJFXSIA-GMZLATJGSA-N 343.345 2.545 0 50 EFAA CCc1nc2ccccc2n1CC(=O)NC1CCN(C(C)C)CC1 170120581 RZYBQGYRBSPDGD-UHFFFAOYSA-N 328.460 2.588 0 50 EFAA O=C(NCc1coc2ccccc12)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 633008802 OLLXLESSBIBTHG-WCQYABFASA-N 342.317 2.745 0 50 EFAA COC(=O)c1c(F)cccc1NC(=O)N1CCO[C@H](C(C)(C)C)C1 279654555 XAKBISAFYGKLEV-ZDUSSCGKSA-N 338.379 2.891 0 50 EFAA COc1ccc(O)cc1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 187702383 KNYACGUAQYUEHZ-SNVBAGLBSA-N 331.372 2.932 0 50 EFAA Cc1csc2c(N3CCC([C@H](O)c4ncc[nH]4)CC3)ncnc12 225459863 UZMBUZLBHWFHSI-ZDUSSCGKSA-N 329.429 2.673 0 50 EFAA Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)n2ncnc2n1 225850996 DZKBZYSNAUWALV-SNVBAGLBSA-N 330.779 2.969 0 50 EFAA CC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)s1 192784339 FCZPRUCGRADDSQ-CYBMUJFWSA-N 344.440 2.905 0 50 EFAA CC(C)(C)c1noc(CCCC(=O)N[C@H]2COc3ccccc32)n1 194887694 BYVGHJCXUGOUJH-ZDUSSCGKSA-N 329.400 2.940 0 50 EFAA CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 195304443 CGCAHYRPUGGRLM-GOEBONIOSA-N 348.468 2.548 0 50 EFAA CCN(CC)[C@H]1CCN(C(=O)C2CC(OCc3ccccc3)C2)C1 673800194 IPONSJSICWZDIT-XBMUEBEBSA-N 330.472 2.925 0 50 EFAA O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 674004174 KNYUSRQOUYEJCX-ONGXEEELSA-N 330.306 2.878 0 50 EFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccccc3OCC(=O)O)C[C@H]2C1 1529177739 FKWDXVFFYDYBCZ-USTZCAOPSA-N 346.471 2.701 0 50 EFAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C12CC3CC(CC(C3)C1)C2 1613882001 PYFLDKAOAKGVLB-VQIYKNCMSA-N 340.467 2.972 0 50 EFAA COC[C@@H]1CCN(C(=O)c2cc(COc3c(C)cccc3C)on2)C1 12072816 AERZFVCWYBMRCD-OAHLLOKOSA-N 344.411 2.979 0 50 EFAA O=C(NCCN1CCOCC1)c1ccccc1Oc1ccccc1 19863491 AINVUHXHKFLIQM-UHFFFAOYSA-N 326.396 2.541 0 50 EFAA COCc1nc(NC(=O)c2cn(CC(C)C)c3ccccc23)n[nH]1 1857532483 QHPHAINYYIXCDI-UHFFFAOYSA-N 327.388 2.814 0 50 EFAA COC(=O)[C@H](c1ccccc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857708534 YQWLOWQQIOCBAU-SFHVURJKSA-N 325.412 2.602 0 50 EFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc(Cl)o1 1857734771 QYJXOYBSYHAWQU-OFQRWUPVSA-N 346.814 2.877 0 50 EFAA Cc1cccc(-c2cc(C(F)(F)F)nc(NNC(N)=S)n2)c1 217027523 WYEDFCJKIYYGGN-UHFFFAOYSA-N 327.335 2.631 0 50 EFAA CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)NC2CC=CC2)CC1 221970930 HLTORRKNGDOSGD-RTBURBONSA-N 348.535 2.684 0 50 EFAA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2244126 XDJSTMCSOXSTGZ-LLVKDONJSA-N 344.205 2.970 0 50 EFAA in-vitro CCCc1cc(N2CCN(C)CC2)n2nc3nc(C)cc(C)c3c2n1 5346147 NOYWSCSRSNWTQC-UHFFFAOYSA-N 338.459 2.599 0 50 EFAA COc1cccc(N2CC[C@@H](CNCc3c(Cl)cnn3C)C2)c1 131082931 YUPMCIMAWJMVGG-ZDUSSCGKSA-N 334.851 2.698 0 50 EFAA CC[C@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1 248982127 SYBVNCMILMUXES-CHWSQXEVSA-N 328.206 2.686 0 50 EFAA O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(O)c2ccccc2c1 253419844 SPDMTMCDLMHTSB-HNAYVOBHSA-N 327.380 2.613 0 50 EFAA CC(=O)Nc1cccc2c1CCN(C(=O)Cc1ccc(Cl)cn1)C2 253415303 DZCCIFBMLRWAIV-UHFFFAOYSA-N 343.814 2.821 0 50 EFAA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC(C)(C)C)CC1 20707712 UGRVQXUDVUKHDY-INIZCTEOSA-N 340.895 2.946 0 50 EFAA Cc1ccc(F)c(OCC(=O)Nc2sccc2S(C)(=O)=O)c1 152690486 BHNYOGCHUVDVAF-UHFFFAOYSA-N 343.401 2.617 0 50 EFAA CCN(CCO)Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1 23311065 UZBTUSIMPCTRLO-UHFFFAOYSA-N 341.455 2.909 0 50 EFAA Cc1cc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)sc1C 263096728 QVLGPAOBNFKACV-HNNXBMFYSA-N 331.393 2.856 0 50 EFAA COc1ccnc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1 264116026 CHFGBUDMWHACGZ-UHFFFAOYSA-N 343.402 2.511 0 50 EFAA O=S(=O)(c1ccoc1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 907527335 OOKCEJIGADEJQE-KRWDZBQOSA-N 331.393 2.909 0 50 EFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCn3nc(C4CC4)cc3C2)cn1 930975005 DMLGUXYBECTWDC-LBPRGKRZSA-N 340.431 2.976 0 50 EFAA O=C(N[C@@H](CCO)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325841915 JVPCACXVBJEVKL-AWEZNQCLSA-N 347.390 2.536 0 50 EFAA COCCn1nc(-c2ccccc2)nc1[C@H]1CCN2CCC[C@@H]2C1 2325849673 XKJOUCGGTJTZGX-DLBZAZTESA-N 326.444 2.933 0 50 EFAA Cc1cnc(CNC(=O)c2cc3ccc(Br)cn3c2)[nH]1 2325856462 QJMRGOOUSVPPJA-UHFFFAOYSA-N 333.189 2.663 0 50 EFAA O=C1Cc2cccc(NS(=O)(=O)c3ccccc3C3CC3)c2N1 2325866195 CXBFAKHDRHMMQN-UHFFFAOYSA-N 328.393 2.859 0 50 EFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C(=O)O)c1ccccc1 225467412 IDYWHSVECVTQOP-SFHVURJKSA-N 343.427 2.641 0 50 EFAA Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc1=O 150978 ODUAJKAHNQSAID-UHFFFAOYSA-N 345.211 2.511 0 50 EFAA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccccc1OC 264487 XYDUBVVQSOYRSV-UHFFFAOYSA-N 345.395 2.617 0 50 EFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCc2ncnn2C1 112744009 CBASMBYNYHDOCC-JSGCOSHPSA-N 343.431 2.507 0 50 EFAA c1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2239455 MNNKRGMSLHQOQF-UHFFFAOYSA-N 347.407 2.570 0 50 EFAA CCOCC(=O)N1CCC[C@@]12CCCN(c1ccc(C)cc1)C2=O 2356143912 CIMWOKJYDCNSEG-LJQANCHMSA-N 330.428 2.520 0 50 EFAA COc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 2872516 UWTKKJMLGRXJDZ-UHFFFAOYSA-N 331.324 2.693 0 50 EFAA CCn1cnc(CNC(=O)c2ccc(-c3ccncc3OC)cc2)c1 2356163037 PUJLUISDMKUNAR-UHFFFAOYSA-N 336.395 2.904 0 50 EFAA Cc1ccc(-c2csc(NC(=O)CSc3nncn3C)n2)cc1 4503379 AFFRPDOQJJURGP-UHFFFAOYSA-N 345.453 2.978 0 50 EFAA COc1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc(OC)c1 6742208 CIQOKGDPAFIBON-DETCHVMESA-N 333.384 2.779 0 50 EFAA CN(CC1(CO)CCOCC1)C(=O)CC12CC3CC(CC(C3)C1)C2 55307036 MYFYRHUFWJRJSY-UHFFFAOYSA-N 335.488 2.840 0 50 EFAA CN(C(N)=O)c1ccc(O[C@H]2CCCN(c3ccccc3)C2=O)cc1 115523073 VKAZIQFTHFYHAB-KRWDZBQOSA-N 339.395 2.776 0 50 EFAA Cc1nc(CCNC(=O)CC[C@H]2CCCCN2C)nc2c1CCCC2 65470230 VAHJAHCWDBDLKG-MRXNPFEDSA-N 344.503 2.587 0 50 EFAA CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101705756 KOSZATPLVBFTCU-DJIHRAIXSA-N 349.408 2.695 0 50 EFAA CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc3nc(S)oc3c2)C1 118783861 DFLSTUUAKPRLAG-LBPRGKRZSA-N 347.440 2.637 0 50 EFAA O=C(c1cncc(C(F)(F)F)c1)N1CCC([C@@H]2CCNC2)CC1 423642864 LONWJVOETUJDQZ-GFCCVEGCSA-N 327.350 2.562 0 50 EFAA Nc1ccc(N[C@@H]2CCCN(Cc3cnc4ccccn34)CC2)cn1 328648057 UIWSVEGSEGUUCU-OAHLLOKOSA-N 336.443 2.778 0 50 EFAA CNC(=O)c1ccc([C@@H]2CCCCN2c2ncc(Cl)cn2)n1C 328628133 NIYQIVZFBAFACY-ZDUSSCGKSA-N 333.823 2.560 0 50 EFAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 329893336 JLOPFYHOHSQUOC-DLTWYDFYSA-N 333.476 2.803 0 50 EFAA COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCOC2)cc1 125176855 OBBHQWAQGFKANC-CYBMUJFWSA-N 340.379 2.923 0 50 EFAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1 11754158 HHTKDURNUCZKRL-QGZVFWFLSA-N 345.443 2.665 0 50 EFAA CCN1CC[C@H](N(C)C(=O)c2cc(-c3cccs3)n[nH]2)[C@H](C)C1 127275345 YUJRLUISEHJBAY-DOMZBBRYSA-N 332.473 2.941 0 50 EFAA Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cn2ccccc2n1 240407415 FMBMHNBGSYCSCN-MRXNPFEDSA-N 336.395 2.966 0 50 EFAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1C 32594089 PNUXPBJAJNUUCG-UHFFFAOYSA-N 340.379 2.676 0 50 EFAA CC(=O)NC(C)(C)c1noc(C[C@@H](c2ccc(O)cc2)C2CC2)n1 351186081 OXNSFIRZJJWZTG-OAHLLOKOSA-N 329.400 2.883 0 50 EFAA OC1CCN(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)CC1 72476259 KUBHCXOZRQZUDH-UHFFFAOYSA-N 326.843 2.900 0 50 EFAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 241287537 LMIPBUXSBAWGNG-DZGCQCFKSA-N 330.436 2.855 0 50 EFAA CSCC[C@H](O)C(=O)N(C)Cc1csc(-c2cccs2)n1 72422486 XXGPILXIQCSDDV-NSHDSACASA-N 342.511 2.944 0 50 EFAA CC(C)N1CC[C@H](CN(C)C(=O)c2ccc(SCCO)cc2)C1 216521825 NRXKXOSGTQKRSB-OAHLLOKOSA-N 336.501 2.573 0 50 EFAA Cc1nn(C)c(C)c1C(=O)N(CCc1ccccn1)Cc1ccncc1 253392385 OXABXUGCCQDSBI-UHFFFAOYSA-N 349.438 2.712 0 50 EFAA O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ccccc2Cl)CC1 72473767 FWHMAZUAYUIGRI-UHFFFAOYSA-N 332.787 2.712 0 50 EFAA Cc1ccnc(C)c1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 362399201 YYRAXVLTLOFXPY-UHFFFAOYSA-N 348.362 2.793 0 50 EFAA CN(C)Cc1cccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 363307444 SGTSJMVZVINVAQ-INIZCTEOSA-N 341.459 2.578 0 50 EFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 77321494 PIKUKRIKUXOGAM-QGZVFWFLSA-N 349.438 2.701 0 50 EFAA CC(C)c1nnc([C@H](C)NC(=O)CN(C)Cc2ccccc2F)o1 219876145 VPXNVVMZJXFMMH-LBPRGKRZSA-N 334.395 2.641 0 50 EFAA C[C@@H](c1cccs1)N(C)C(=O)NCCc1nc(C(=O)O)cs1 317025281 ULJVPBOUFAWKSQ-VIFPVBQESA-N 339.442 2.848 0 50 EFAA CSCCCN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72448045 GOFALZVOGGXBEH-FUHWJXTLSA-N 347.528 2.690 0 50 EFAA C[C@@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H](c2ccccc2)CO1 263364262 VMIOEHSNIHDLBR-RDTXWAMCSA-N 339.391 2.916 0 50 EFAA O=C(CN1CCOc2ccccc2C1)NCc1cccc2[nH]ccc12 222383991 VEYGZYDIBIZYDE-UHFFFAOYSA-N 335.407 2.679 0 50 EFAA CC1=CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C=O)CC3)cc21 226074795 JBDIUUUUPHLWTB-UHFFFAOYSA-N 343.496 2.768 0 50 EFAA O=C1CCCN1CC1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 85479225 CSNUIGTXBIQWPE-IBGZPJMESA-N 340.467 2.653 0 50 EFAA O=C(c1ccc2nccn2c1)N1CCCN(c2ccc(F)cc2)CC1 220004064 OFNYPSUHWZRUQD-UHFFFAOYSA-N 338.386 2.826 0 50 EFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)CCO1 237686481 OJZAAHUHQSLRSF-QGZVFWFLSA-N 325.364 2.907 0 50 EFAA C[C@H](c1nc(-c2ccccn2)nn1Cc1ccc(F)cc1)n1cncn1 95506470 NVUYQEKNDRDILR-CYBMUJFWSA-N 349.373 2.728 0 50 EFAA O=C(O)[C@H]1CCN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)C1 238082048 PEUJLRJGKAGQIS-YJEWXARHSA-N 333.771 2.605 0 50 EFAA COc1ccc(-c2cc(CNC(=O)c3ccn(C)c3C)no2)cc1 426485522 BHZHBCDVVQEGSL-UHFFFAOYSA-N 325.368 2.927 0 50 EFAA CCOC(=O)N1CCN(Cc2cn(C)nc2-c2ccccc2F)CC1 23159385 LXJHLOFCMNBCBD-UHFFFAOYSA-N 346.406 2.500 0 50 EFAA CCn1c(C)nnc1SCCNC(=O)Nc1ccc2cnoc2c1 96133375 JUNTZEWIIVSQDX-UHFFFAOYSA-N 346.416 2.661 0 50 EFAA c1ccc(OCCCN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cc1 91444956 HHXCTHAGXMZFNU-QZTJIDSGSA-N 338.455 2.846 0 50 EFAA CC[C@](O)(CCCO)CNC(=O)Nc1cc(F)cc(F)c1Cl 97675459 VZZJACLZOZEKNA-AWEZNQCLSA-N 336.766 2.653 0 50 EFAA O=C(NCCc1cccnc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 91603265 IOFUKOVIBSUPRN-KRWDZBQOSA-N 343.471 2.702 0 50 EFAA COc1ccc(-c2ccccc2)cc1NC(=O)N1CCOC[C@@H]1CO 96161011 OCWTWCJKMGXWOY-INIZCTEOSA-N 342.395 2.587 0 50 EFAA C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 95391990 COWCXNZVKKXGOT-OAHLLOKOSA-N 348.450 2.668 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)c(Cl)c1)C2 91829498 RCACBFGZHYKXOM-TZMCWYRMSA-N 340.826 2.662 0 50 EFAA Cc1nnc(CNC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)o1 96165102 WKTOMEUYYRZGKB-UHFFFAOYSA-N 344.371 2.799 0 50 EFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCN[C@@H](c2ccccc2)C1 97568883 XPTLFCOEHLGQFM-GOSISDBHSA-N 332.407 2.863 0 50 EFAA Cc1ncccc1Oc1ncnc(N2C[C@@H](C)[C@](O)(C3CC3)C2)c1C 91896546 SWFFHVLVIBBIHF-BLVKFPJESA-N 340.427 2.878 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c2c(C)noc2n1 95523590 BTFGGFJOYHKANT-CYBMUJFWSA-N 339.399 2.593 0 50 EFAA 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CCn1cc([C@H]2OCC[C@@H]2Nc2ccc(C(F)(F)F)nn2)cn1 278428481 JDRRDVQQEYGNKR-GXFFZTMASA-N 327.310 2.654 0 50 EFAA Cc1nc(C)c(CC(=O)OCC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 170649661 NGUFRHVUDPEYFS-UHFFFAOYSA-N 330.428 2.689 0 50 EFAA Cc1ccc(C)c(OC[C@@H](O)CN(CCO)Cc2ccccc2)c1C 301315300 OJYBZMBEOCSLJW-FQEVSTJZSA-N 343.467 2.846 0 50 EFAA C[C@H](CC(=O)NCC1(CS(C)(=O)=O)CCC1)c1ccc(F)cc1 408521339 PTWZLXXVTMXMTP-CYBMUJFWSA-N 341.448 2.650 0 50 EFAA CCN(C(=O)c1cc2ncc(Br)cn2n1)C1CCCC1 636611088 LOGWARPPNVBZAY-UHFFFAOYSA-N 337.221 2.897 0 50 EFAA O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ncc[nH]2)CC1 111209878 LIKQMFHIJASSND-UHFFFAOYSA-N 333.823 2.803 0 50 EFAA COc1cc2c(cc1OC)CCN(Cc1ccoc1C(=O)O)CC2 652402159 SSQFSCHBPZWVAW-UHFFFAOYSA-N 331.368 2.596 0 50 EFAA CN(Cc1nc(C(F)(F)F)cs1)[C@H](C(=O)O)c1cccnc1 652433021 MUMCWCXDSYWPLU-NSHDSACASA-N 331.319 2.815 0 50 EFAA Cc1ccc([C@H](C)C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cc1 195570118 LLCAEIPKFGJAQD-AWEZNQCLSA-N 325.474 2.770 0 50 EFAA Cc1ncc2c(n1)[C@]1(CCCN(CCCn3ccnc3C)C1)CC2 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329.352 2.751 0 50 EFAA O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 2746704 FOOQUYYIEOARTM-JKSUJKDBSA-N 348.830 2.656 0 50 EFAA CCCCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccco1 2814846 VSHDYNFYXYPWSN-AMDPFGHHSA-N 328.368 2.959 0 50 EFAA O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2874540 OGQKFBLMVPJJHT-OAHLLOKOSA-N 344.436 2.726 0 50 EFAA CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccn1 6699431 FCWNZRMNYWMHKE-UHFFFAOYSA-N 345.472 2.901 0 50 EFAA CCc1ccccc1NC(=O)C[C@@H]1C(=O)N=C2Nc3ccccc3N21 20103323 KPHRSBRIDSISPT-MRXNPFEDSA-N 334.379 2.775 0 50 EFAA CC[C@@H](NC(=O)CCC(=O)NC1CCCCCCC1)c1ccnn1C 55357639 FYEARAUOYRTLDD-MRXNPFEDSA-N 348.491 2.997 0 50 EFAA CCc1cc(OCCCNCCN2CCOCC2)ccc1Cl 20482422 BLOMDVQFUKPOQK-UHFFFAOYSA-N 326.868 2.593 0 50 EFAA CC[C@H](CO)N(Cc1ccco1)C(=O)CCc1ccc2c(c1)OCO2 55074102 SUNKMWBWBGWRJP-OAHLLOKOSA-N 345.395 2.741 0 50 EFAA COc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2ccncc2)C1 67894780 NXZRSUYUQOUMIL-KRWDZBQOSA-N 339.439 2.732 0 50 EFAA 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COCc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)no1 173744888 BCTRTXWRHRRCSS-GOSISDBHSA-N 337.379 2.868 0 50 EFAA Cc1cc(O)c([C@@]2(O)C(=O)Nc3cc(Br)ccc32)cc1C 4110358 PRUMRORLNVGOFZ-MRXNPFEDSA-N 348.196 2.960 0 50 EFAA Cc1ccn2c(NS(=O)(=O)C3=Cc4ccccc4CC3)nnc2c1 128799610 KQGFRZGKJMYCMR-UHFFFAOYSA-N 340.408 2.767 0 50 EFAA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1 218157380 MNVVYNYUFRNLHS-MRXNPFEDSA-N 344.484 2.943 0 50 EFAA Cc1cc(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)no1 241587935 OYGRUHOUPFIUDO-IEBWSBKVSA-N 346.402 2.555 0 50 EFAA CC(C)(C)SCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 241515496 OFUPVOVJQSCYEM-SNVBAGLBSA-N 327.475 2.604 0 50 EFAA O[C@@H](CN[C@H](c1ccncc1)c1ncc[nH]1)c1ccccc1Cl 241590488 PFGLCHJZFNAFOV-JKSUJKDBSA-N 328.803 2.871 0 50 EFAA CCN1CCN(CCC(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 252487103 HSRFXOYEMXQCPJ-UHFFFAOYSA-N 343.393 2.980 0 50 EFAA O=C(NCCNc1cccnc1)c1ccc(-c2noc(C3CC3)n2)cc1 215201832 UKFBVMZFSKZYQR-UHFFFAOYSA-N 349.394 2.851 0 50 EFAA O=C1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)N1 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DPDVLROMTHPUTK-CQSZACIVSA-N 329.400 2.995 0 50 EFAA Cc1c(CNC(=O)N2CCCC[C@@H]2CCc2ccccn2)cnn1C 426503298 MXKAEMDZXKDFIT-GOSISDBHSA-N 341.459 2.820 0 50 EFAA CNC[C@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1 178990670 NCXLBEASKLERBU-CQSZACIVSA-N 332.444 2.698 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCN(C)C(=O)[C@H]2C(C)C)c(C)c1 426527077 VYHGILCXIHMIMF-QGZVFWFLSA-N 331.460 2.620 0 50 EFAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 95511634 DKOGPAGOAAORBI-OAHLLOKOSA-N 339.443 2.970 0 50 EFAA CC(C)CCc1nc(C2CCC2)n(-c2ccc(S(N)(=O)=O)cc2)n1 91693602 FXZKCIYNGDEKNW-UHFFFAOYSA-N 348.472 2.771 0 50 EFAA O[C@@H]1CN(Cc2ccccc2)CCN(c2nccc3ccccc23)C1 95521429 FDCBXKCZFKBHHT-LJQANCHMSA-N 333.435 2.918 0 50 EFAA COCCN1C[C@H]2CC[C@@H]1CN(CCCOc1ccc(F)cc1)C2 95392038 PTSFNNYPORWOMH-FUHWJXTLSA-N 336.451 2.637 0 50 EFAA CC(C)Cc1cc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 95528331 SOKMTUUSIVJYMK-HNNXBMFYSA-N 345.443 2.995 0 50 EFAA O=C(CN1CCCCC1=O)Nc1ccc(Cl)c(OC(F)F)c1 182262016 AEWUVEJXZOXTJD-UHFFFAOYSA-N 332.734 2.892 0 50 EFAA Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@@H](O)c1ccccc1 183292102 CPNGSAISNBKMKY-NHCUHLMSSA-N 340.467 2.692 0 50 EFAA CCn1ccnc1[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 252486681 HONJUZOEQZLIPL-HNNXBMFYSA-N 342.443 2.730 0 50 EFAA CCCC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CCC1 534578963 MYFVXMANSFXUSF-INIZCTEOSA-N 347.434 2.979 0 50 EFAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2ncnc3[nH]ccc23)cc1 534592077 ZVWHTSVTBPRKHU-HNNXBMFYSA-N 336.395 2.876 0 50 EFAA CCc1noc(-c2cc3n(n2)C[C@H](c2ccc(OC)cc2)OC3)n1 263616484 IZGDYVABFBYBMS-OAHLLOKOSA-N 326.356 2.776 0 50 EFAA Cc1cc(=O)cc(C(=O)N2CCC(Oc3ccccc3F)CC2)n1C 299755337 HSRRTHADDJNBMT-UHFFFAOYSA-N 344.386 2.516 0 50 EFAA CC[C@@H](C(=O)NCC1(c2ccccc2)CCN(C)CC1)n1cccn1 299759384 GXMJABWKCIVNDX-SFHVURJKSA-N 340.471 2.614 0 50 EFAA CN(C)C(=O)c1cccc(NC[C@@H]2CCN(C3CCCCC3)C2)n1 823639132 ABRDTUMJOTUMQW-HNNXBMFYSA-N 330.476 2.850 0 50 EFAA Cc1ncsc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 828061683 FZKHVWVWRBBROX-LLVKDONJSA-N 345.424 2.767 0 50 EFAA CC(C)CCN(C)C(=O)Cc1csc(SCCN(C)C)n1 952994044 OPLWAHBYGQICHW-UHFFFAOYSA-N 329.535 2.844 0 50 EFAA Cc1nc(CCC(=O)NCc2cncc(Br)c2)cs1 1875296104 ZCGJSVLDSWZYIH-UHFFFAOYSA-N 340.246 2.858 0 50 EFAA Cc1nc(=N[C@H]2CCCc3c2cnn3C2CCCC2)nc2[nH][nH]cc1-2 1875295386 WKSXPOZTGBKWTA-HNNXBMFYSA-N 337.431 2.836 0 50 EFAA C[C@H](Nc1ncccn1)[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 1875335868 JPDJVNJFIIMVBE-JCGIZDLHSA-N 336.439 2.998 0 50 EFAA COc1ccc(OC[C@@H]2C[N@]2Cc2cnn(C)c2)c(C(F)(F)F)c1 1875381217 NUBCWXBJWXSZIA-YTEVENLXSA-N 341.333 2.711 0 50 EFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(OC)c(C)cc2C)C1 952972347 GMGFBCMWRGJZEM-HNNXBMFYSA-N 341.473 2.892 0 50 EFAA c1cc2c(N[C@@H]3CCCN4CCSC[C@H]34)nc(C3CC3)nc2[nH]1 1772525587 WPLJQNBODCULQW-ZIAGYGMSSA-N 329.473 2.827 0 50 EFAA O=C1NC[C@H](c2nc(C[C@@H]3COc4ccccc43)no2)c2ccccc21 897086816 MGSOIRQGMJWRRW-WBMJQRKESA-N 347.374 2.664 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2nccn2C(C)C)C1 1775957125 DUQPQLPSGFMADF-DOTOQJQBSA-N 330.432 2.527 0 50 EFAA COc1c(F)cc(C(=O)N2C[C@H](C)[C@@](O)(C3CCC3)C2)cc1F 1565507998 HHOBQNFZRGSAGR-DYZYQPBXSA-N 325.355 2.597 0 50 EFAA CC(C)[C@@H]1CN(C(=O)CCC(=O)N2CCC(O)CC2)c2ccccc21 278416345 SMDRSJGCTWVYLP-KRWDZBQOSA-N 344.455 2.536 0 50 EFAA C[C@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)NCc1ccccc1 170597823 PWTPWZMFEXOCNP-ZDUSSCGKSA-N 341.411 2.767 0 50 EFAA COC[C@H](NC(=O)N1CCO[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 279146043 ZUAZRCXHVRLPKE-XHSDSOJGSA-N 338.835 2.990 0 50 EFAA Cc1cc(C)c2c(C)c(C(=O)Nc3[nH]c(=O)ncc3F)sc2n1 170605924 PXNYEDBTVORBMW-UHFFFAOYSA-N 332.360 2.696 0 50 EFAA C[C@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCN1CC(C)(C)O 186707492 MKYPBFGSSDHRHE-NSHDSACASA-N 343.830 2.788 0 50 EFAA CO[C@H](C(=O)N1CCCCC[C@@H]1c1cccn1C)c1cnn(C)c1 281327010 SXMVBAXPMGLOSY-SJORKVTESA-N 330.432 2.590 0 50 EFAA COc1cccc([C@@H](C(=O)O)N2CCc3c(cccc3OC)C2)c1 634691685 MIKHHZFMYSCLPE-SFHVURJKSA-N 327.380 2.888 0 50 EFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2ccc(F)c(F)c2)c1 282504463 NJNRWBDICUAVHT-KDOFPFPSSA-N 347.361 2.850 0 50 EFAA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2ccccn2)C1(C)C 408520612 NYPRVLFXRQRUKW-OAHLLOKOSA-N 347.459 2.918 0 50 EFAA COc1ccccc1-c1cc(C(=O)N(C)CC2(N(C)C)CCC2)[nH]n1 188033765 JZKKPPONIBEEAA-UHFFFAOYSA-N 342.443 2.642 0 50 EFAA Cc1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)nn1 412150811 DIIDWOZDLPWEHD-UHFFFAOYSA-N 333.391 2.979 0 50 EFAA CNc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 412379686 GUUOWSXTJAOPKL-VQIMIIECSA-N 328.387 2.669 0 50 EFAA C[C@@H](Cc1ccc(Br)cc1)NCc1cc(C(N)=O)co1 188414363 TZJCDZOWFPSARL-JTQLQIEISA-N 337.217 2.862 0 50 EFAA O=C(CN1CCCC[C@H](O)C1=O)Nc1ccccc1-c1cccs1 644292199 SBTSDNUACZZQNW-HNNXBMFYSA-N 344.436 2.727 0 50 EFAA CCOc1ccccc1C(=O)N1CCSC[C@@H]1c1cnn(C)c1 192213327 LABKFUPRGIYNFD-OAHLLOKOSA-N 331.441 2.749 0 50 EFAA Cc1noc2ncnc(N(CCN(C)C)Cc3ccc(F)c(F)c3)c12 192488812 RVPDVXOOJAIELH-UHFFFAOYSA-N 347.369 2.773 0 50 EFAA NCCc1nc(C(=O)N2CCN(CC3CC3)c3ccccc32)cs1 194839941 ZZFJTFZTEJLCKY-UHFFFAOYSA-N 342.468 2.521 0 50 EFAA O=C1CN(C(=O)NC[C@@H]2CCc3ccccc3C2)Cc2ccccc2N1 654447810 JHMKMSHLMQHZQN-OAHLLOKOSA-N 349.434 2.955 0 50 EFAA O=C1CC[C@@H](NCc2nc(C3CCCCC3)no2)CCN1CC1CC1 1506421894 NYJQSOBWVQTFRU-MRXNPFEDSA-N 346.475 2.998 0 50 EFAA CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCC2(CC1)COC(=O)O2 1506418272 GVIIEJLFABLTNW-HNNXBMFYSA-N 332.400 2.714 0 50 EFAA Cc1cccc(Cc2nnc(NC(=O)CCc3ccnn3C)s2)c1 1506399225 CFTFSECHGXIEHX-UHFFFAOYSA-N 341.440 2.742 0 50 EFAA Cc1ccc([C@@H](Nc2cc3nncn3c(N)n2)c2ccncc2)cc1 1529153675 UAZGZOAIZIHGAL-QGZVFWFLSA-N 331.383 2.611 0 50 EFAA O=C(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCOCC1 1529091619 OSDVNTZEXSJVGY-UHFFFAOYSA-N 349.434 2.848 0 50 EFAA CC(C)[C@@H](C(=O)N(CCO)Cc1cncn1C)c1ccc(Cl)cc1 1704313636 KQZVRDYBNKKFGA-QGZVFWFLSA-N 349.862 2.834 0 50 EFAA CCNC(=O)CNc1cc(Br)ccc1N1CCCC1 129658251 POZZJLCOBHGPDK-UHFFFAOYSA-N 326.238 2.597 0 50 EFAA Cn1ccnc1CCNC(=O)c1cccc(Br)c1Cl 136070670 VLDAESUAZBPTHC-UHFFFAOYSA-N 342.624 2.809 0 50 EFAA O=C(C[C@@H]1CN(c2ccccc2)NC1=O)Nc1ccc(Cl)c(F)c1 1740818257 QNDZINQSJWAQGW-LLVKDONJSA-N 347.777 2.975 0 50 EFAA Cn1ncc2c(SCc3ncc(Br)s3)ncnc21 390835556 QOOCHSBJQUTXNF-UHFFFAOYSA-N 342.247 2.875 0 50 EFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1 12002363 FVKQWHKBAQZZPT-CQSZACIVSA-N 336.457 2.624 0 50 EFAA CCOc1ccc(NC(=O)[C@@H](CC)n2c(C)cc(C)nc2=O)cc1 16648020 DHNZGXRVODBIEM-MRXNPFEDSA-N 329.400 2.849 0 50 EFAA CC(C)[C@H]1COCc2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21 205606206 NHVOEIHMPSFDNH-SSDOTTSWSA-N 334.268 2.583 0 50 EFAA COc1cc(/C=C/C(=O)n2nnc3ccccc32)cc(OC)c1OC 4543829 VBEACASGPBSNAK-CMDGGOBGSA-N 339.351 2.811 0 50 EFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c(C)oc2c1C(=O)CCC2 1857678253 KEAWDOIFRSVSOF-GEDNVKPRSA-N 345.395 2.965 0 50 EFAA O=C(O)[C@@H]1CN(Cc2cccc3cnccc23)CC12CCOCC2 1857694392 AEEGKNFGDWFFHC-KRWDZBQOSA-N 326.396 2.548 0 50 EFAA O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCCO)C1 666539846 LWHHGSCOISIRNO-GFCCVEGCSA-N 347.242 2.676 0 50 EFAA CCn1c(C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc2ccccc21 124797001 AXOQLYDRFBXHIL-HNNXBMFYSA-N 337.427 2.805 0 50 EFAA O=C(c1ccncc1C(F)(F)F)N1CCC(Cc2ncc[nH]2)CC1 331249108 XTONTEMBHJHTRV-UHFFFAOYSA-N 338.333 2.918 0 50 EFAA CCc1cnc(N2CCN(C(=O)c3cc(C(C)C)on3)CC2)s1 331870162 DWFAXEBIACCFIT-UHFFFAOYSA-N 334.445 2.779 0 50 EFAA O=C(O)c1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)cc1 247411779 PMFGHUXWGKTUSI-SJORKVTESA-N 343.354 2.824 0 50 EFAA CCOc1cc(N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)ncn1 253430485 LTCVGTNPDDLNKM-NSHDSACASA-N 348.428 2.768 0 50 EFAA COc1ccc(S(=O)(=O)Nc2cccc(CN(C)C)c2)cc1F 153879006 ZSIWOQQVQXOPSO-UHFFFAOYSA-N 338.404 2.697 0 50 EFAA CCCC[C@@H](COC)NC(=O)N(C)Cc1ccc(C(=O)OC)cc1 265500774 ZKDLCASMEHXPSZ-INIZCTEOSA-N 336.432 2.820 0 50 EFAA CC(C)Cn1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)n1 902016145 KQZVNJXPWAFOFV-ZBFHGGJFSA-N 327.384 2.582 0 50 EFAA CC(C)(C)c1nnc(C(=O)NC[C@@]2(c3ccccc3)CCCO2)o1 902983496 PPKXLRFIGSFZLL-GOSISDBHSA-N 329.400 2.803 0 50 EFAA O=C(O)[C@@H]1c2ccccc2OCCN1CCOc1ccc(F)cc1 903926793 HCZWBBONYGAUKF-KRWDZBQOSA-N 331.343 2.725 0 50 EFAA Cc1cscc1NC(=O)NCC1CCC(S(C)(=O)=O)CC1 930502646 GNYGWWCEUWSILH-UHFFFAOYSA-N 330.475 2.781 0 50 EFAA COc1cccc2c1N(C(=O)c1cnn3cccc(OC)c13)CCC2 931514502 SXQAGWKOQPGPJB-UHFFFAOYSA-N 337.379 2.945 0 50 EFAA OCCN1CCC[C@@H]2[C@H]1CCN2Cc1csc(-c2cccs2)n1 934252769 PJTVMDODFSLLEY-HUUCEWRRSA-N 349.525 2.903 0 50 EFAA Cc1cnccc1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 938143817 ANQOIUBOIOUUOH-DOTOQJQBSA-N 343.471 2.937 0 50 EFAA C[C@H](N)[C@H](NC(=O)c1cnn2cccnc12)c1ccc2ccccc2c1 2325862940 OFCGJWOXTXOZLE-UGSOOPFHSA-N 345.406 2.701 0 50 EFAA Cc1c(F)cccc1C(=O)N1CC[C@@H]([C@@H]2CCCN2C(=O)C2CC2)C1 2325875003 CXXXLDZDKHEQSU-QAPCUYQASA-N 344.430 2.997 0 50 EFAA CC(=O)Oc1ccccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1 31673 OUZARXJWYRKDPQ-UHFFFAOYSA-N 326.352 2.847 0 50 EFAA CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C 136474 MVQJSWPMYVEQGC-UHFFFAOYSA-N 338.360 2.785 0 50 EFAA Cc1cc(C)cc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 445173 GIXSWRPCPZEGGV-UHFFFAOYSA-N 332.425 2.708 0 50 EFAA Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc12 2099760 AQPFJTVMYYRFAH-LLVKDONJSA-N 347.367 2.920 0 50 EFAA biogenic COc1ccc(CC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1F 2356138783 QHENRXIUSRCFBN-IBGZPJMESA-N 343.402 2.607 0 50 EFAA O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@@]1(O)C(F)(F)F 2863610 XPJYLUNTZKILMD-HNNXBMFYSA-N 326.318 2.859 0 50 EFAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3scc4c3CCCC4)C[C@H]2CC1=O 2356143409 GOHPVKXIKQVJQU-ZNMIVQPWSA-N 346.496 2.956 0 50 EFAA CCc1nc(Cn2c(C(C)C)nc3ccccc32)n(C[C@@H](C)O)n1 2356144582 DXOULSMPJVKTPU-CYBMUJFWSA-N 327.432 2.743 0 50 EFAA CC1=CC2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)OCC1 2356154414 VERMJTKFDQISTB-UHFFFAOYSA-N 329.396 2.686 0 50 EFAA Cc1nnc([C@@H](C)N(C)C[C@H](c2cccs2)N2CCOCC2)o1 247387115 WRNFYLWNODCLFR-TZMCWYRMSA-N 336.461 2.506 0 50 EFAA CN(c1ccc(OCc2ccc3cc[nH]c3n2)cc1)S(C)(=O)=O 2356163641 LYINZFOXEZKXFL-UHFFFAOYSA-N 331.397 2.538 0 50 EFAA O=C(CCCc1ccc(F)cc1)N1CCc2nc(C3CC3)nn2CC1 2356167047 RRLDVCPGNZVPIB-UHFFFAOYSA-N 342.418 2.702 0 50 EFAA Cc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)n(-c2ccccc2)n1 6682013 SATXCNRQQMYGSP-UHFFFAOYSA-N 347.330 2.680 0 50 EFAA O=C(CSc1nccc(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 6813554 HSVSXNRNRVMKFG-UHFFFAOYSA-N 329.303 2.520 0 50 EFAA O=S(=O)(NCCCN1CCCCC1)c1ccc2ccccc2c1 7709721 NRIAZWKFRODPIX-UHFFFAOYSA-N 332.469 2.994 0 50 EFAA O=C(Nc1ccccc1O)c1c(O)c2cccc3c2n(c1=O)CCC3 100662855 PSGWTJTZBWMYBI-UHFFFAOYSA-N 336.347 2.611 0 50 EFAA biogenic CCOC(=O)C[C@@H](NC(=O)CC(=O)Nc1cc(C)ccc1C)C(C)C 55089051 NDWZSSHUVDWDCE-OAHLLOKOSA-N 348.443 2.726 0 50 EFAA O=C(NO[C@H]1CCCCO1)N[C@@H](Cc1ccccc1)C(F)(F)F 121123645 DBIONQWWSJQFMP-STQMWFEESA-N 332.322 2.917 0 50 EFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101697000 IEOQXEJBBMFLPJ-DPDCMNJDSA-N 346.814 2.618 0 50 EFAA COC[C@@H](c1ccccn1)N(C)CC(=O)NC1CCCCCCC1 65460744 DXXJSQIXHAQWKU-SFHVURJKSA-N 333.476 2.930 0 50 EFAA CC(C)S(=O)(=O)N1CC[C@@H](NC/C=C/c2ccccc2)[C@@H](C)C1 229310048 LQOJBLIODLALKW-HBEJGUJUSA-N 336.501 2.738 0 50 EFAA CC(=O)c1[nH]c(C)c(C(=O)NCCN2CCc3ccccc3C2)c1C 67920348 MYJRCTGUBMXFGZ-UHFFFAOYSA-N 339.439 2.622 0 50 EFAA CCn1cnnc1[C@H]1CN(Cc2c(C)oc3ccccc23)CCO1 328639021 PIMYDKRQQRLOSS-QGZVFWFLSA-N 326.400 2.926 0 50 EFAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1/C=C/c1ccccc1 329397954 WTQZZTZSMRIZRF-LJFOUZCWSA-N 333.453 2.516 0 50 EFAA CCNC(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 142709148 HFQWPCIZRAEMSV-UHFFFAOYSA-N 348.406 2.803 0 50 EFAA CC(C)c1csc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)n1 219656082 JTALTQQHFCXXPP-HUBLWGQQSA-N 331.441 2.904 0 50 EFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3cc(C)no3)O2)CC1 215050898 RKOHSJOUWMXHOZ-INIZCTEOSA-N 347.459 2.693 0 50 EFAA COCCCN1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2 77489341 FENHRLDOQXWMGV-UHFFFAOYSA-N 346.471 2.546 0 50 EFAA CCCOCCN1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 72123904 IFKIQRVZYLOKBJ-PWRODBHTSA-N 344.499 2.984 0 50 EFAA CCn1nccc1CCN1C[C@H](c2ccccc2)C[C@@H](C(=O)OC)C1 253392763 GFUKPEWUTIMGGK-QZTJIDSGSA-N 341.455 2.724 0 50 EFAA CC(C)(N)CN1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72434782 GQOFUGSMANFROV-FQEVSTJZSA-N 329.488 2.629 0 50 EFAA Cc1ncsc1CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 218804199 KWNWAJURFLOHRD-INIZCTEOSA-N 329.469 2.775 0 50 EFAA COCc1nc(NCCOc2ccc(C)c(C)c2)c2cnn(C)c2n1 72163785 VRRRBVUVWWLKOD-UHFFFAOYSA-N 341.415 2.617 0 50 EFAA COCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 245400228 XQDZNUQUGQWBOR-KURKYZTESA-N 344.455 2.613 0 50 EFAA CCCN1CC2(CCN(C3Cc4ccccc4C3)CC2)C[C@@H]1C(=O)O 72473976 MJQONDPYXVJLGI-LJQANCHMSA-N 342.483 2.805 0 50 EFAA CCc1cnccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 376537425 FARKXOAINGTGQJ-UHFFFAOYSA-N 333.395 2.600 0 50 EFAA CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)O 262702101 ZHZLOIAKAXCJCP-SSDOTTSWSA-N 345.364 2.545 0 50 EFAA O=C(c1ccc2ccccc2c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286252942 LDXNHFSRQVRWNC-OTWHNJEPSA-N 325.408 2.842 0 50 EFAA O=C(c1ncn(-c2ccccc2)n1)N1CCC(Cc2cccnc2)CC1 378425233 NWPZUZBRLSEVQI-UHFFFAOYSA-N 347.422 2.757 0 50 EFAA COc1cccc(F)c1C(=O)N1CCC(CCN2CCCC2=O)CC1 82120433 ICIBCOSVGSHEEI-UHFFFAOYSA-N 348.418 2.699 0 50 EFAA C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)O1 329853404 VKSDOCVRGOBKRX-NXHRZFHOSA-N 345.439 2.835 0 50 EFAA O=C(NC1CCN(C2CCCCC2)CC1)c1ccc2c(c1)OCO2 177249493 ABPMDXZKWJCFHL-UHFFFAOYSA-N 330.428 2.942 0 50 EFAA C[C@H](C(=O)N(Cc1ccsc1)C1CCCC1)N1CCN(C)CC1 426399437 QOFFEPQAKKSQKF-OAHLLOKOSA-N 335.517 2.655 0 50 EFAA CC[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1cccn1 92065307 GCMCFMISDAWSHM-IUYMFKLXSA-N 338.455 2.692 0 50 EFAA C[C@@H](NC[C@@H](O)CN1CCCC1=O)c1cc(F)c(Cl)cc1Cl 180441836 FXUGZKGIRIGJPS-NXEZZACHSA-N 349.233 2.766 0 50 EFAA O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@@H]1c1ccco1 95378969 JRXIPBDQISVNIM-MRXNPFEDSA-N 330.384 2.682 0 50 EFAA COc1ccccc1-c1ncc(Cn2cc([C@H]3CCOC3)nn2)s1 92002694 KFHJWHZZNQJPIT-LBPRGKRZSA-N 342.424 2.962 0 50 EFAA CC1(C)C(=O)Nc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=N)O)ccc21 333459144 UCVOTHLMJPTLMD-HUBLWGQQSA-N 341.411 2.692 0 50 EFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2c[nH]cn2)C1 91651000 NDHPKJRMNKWYOJ-LJQANCHMSA-N 341.411 2.552 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](C(=O)O)c1ccccc1F 95511637 YRVOXYWZZVMBTQ-INIZCTEOSA-N 347.390 2.796 0 50 EFAA COc1ccc(CN(C)Cc2nccn2C)cc1CN1CCCC1 97547538 YQPORFODXLUNIM-UHFFFAOYSA-N 328.460 2.657 0 50 EFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cn2ccsc2n1 91425479 BUMPJCJKIICMRV-AWEZNQCLSA-N 337.408 2.764 0 50 EFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1csc(C)n1 91364980 PTLHSNZEAWWVSJ-CABCVRRESA-N 337.489 2.790 0 50 EFAA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1CC[C@@H](c2ccccc2)C1 244608542 FEJXUMZRCQKAJD-GOSISDBHSA-N 340.471 2.517 0 50 EFAA CCc1occc(=O)c1OCC(=O)Nc1cc(Cl)ccc1OC 263588691 XGVPUKMTSYUDDT-UHFFFAOYSA-N 337.759 2.882 0 50 EFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)c1cccn1C1CC1 534667767 GSOXOXALHAIHEB-SFHVURJKSA-N 349.390 2.956 0 50 EFAA Cc1ccc([C@]2(C(=O)NCCSc3nncn3C)CC2(C)C)cc1 299772502 ABXVUCYIHBRAQD-SFHVURJKSA-N 344.484 2.700 0 50 EFAA Cc1ccc([C@@H](CNC(=O)c2scc3c2OCCO3)N(C)C)cc1 299791618 FSRSXRUWUQMLIH-CQSZACIVSA-N 346.452 2.860 0 50 EFAA COc1cc(CCC(=O)N2CCN(C3CCCC3)C(=O)C2)ccc1C 299790803 BXBKWBYXZKNNBA-UHFFFAOYSA-N 344.455 2.550 0 50 EFAA CCc1csc(CNC(=O)c2cccc(-c3nc(C)n(C)n3)c2)n1 299796177 NTKJUMQCRJSOSR-UHFFFAOYSA-N 341.440 2.739 0 50 EFAA C[C@H](CN1CCCCC1)c1ncnn1-c1ccc2c(c1)OCCO2 822279844 YSYMLNLGZZXIJS-CQSZACIVSA-N 328.416 2.628 0 50 EFAA Cc1cc(C(=O)NCc2cc(CC(C)C)no2)c2c(C)nn(C)c2n1 670459557 ZOJBCGYQLCBONY-UHFFFAOYSA-N 341.415 2.702 0 50 EFAA CC(=O)Nc1cnccc1C(=O)NC[C@@H](C)COCc1ccccc1 952994823 VCZRWYCULPGDFN-CQSZACIVSA-N 341.411 2.623 0 50 EFAA O=C(O)[C@H]1CN(Cc2cccc(-c3cccnc3)c2)Cc2ccnn2C1 1875294701 UOPCKSBTQYFVTB-SFHVURJKSA-N 348.406 2.662 0 50 EFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2c3ccccc3CN2C)[nH]1 1875269360 AJNFJUGGOONGCC-LJQANCHMSA-N 331.423 2.868 0 50 EFAA CC(=O)N1CC[C@]2(CCCC[C@@H]2NC(=O)c2cccc3c2OCC3)C1 1875336380 YMMABFPNMNHONO-FXAWDEMLSA-N 342.439 2.533 0 50 EFAA FC(F)(F)[C@H]1CCN(c2cc(-c3ncccn3)ncn2)CC1(F)F 1875404828 XHVYJERPHFCSEK-JTQLQIEISA-N 345.275 2.958 0 50 EFAA Cc1cn(Cc2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)c2ccccc12 888078989 SQIMRZODNPMPHI-CZUORRHYSA-N 326.400 2.773 0 50 EFAA COc1nn(C)cc1CNC(=O)C1(c2ccccc2C)CCCC1 890028345 LLLXBULZTSSYKK-UHFFFAOYSA-N 327.428 2.865 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Cc3cnc[nH]3)CC2)c1C 1772672991 UXYPWRDCEQYJLO-UHFFFAOYSA-N 328.416 2.652 0 50 EFAA CC(C)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C 1775994086 SJIYTOGVBNGPGP-HNNXBMFYSA-N 334.416 2.579 0 50 EFAA C[C@H](CCc1ccccc1)NS(=O)(=O)CC[C@H]1CCCOC1 1775989363 LYKRJNTZZZQCES-NVXWUHKLSA-N 325.474 2.744 0 50 EFAA Cc1cc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n2ncnc2n1 270699748 HUOIHICKYIVICG-GDBMZVCRSA-N 344.369 2.568 0 50 EFAA O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H](N2CCOCC2)CC1 1467952533 DQHGMPCMWGBFGO-AWEZNQCLSA-N 345.418 2.634 0 50 EFAA COc1ccc(OC)c(CCCN2C(=O)NC3(CCCC3)C2=O)c1 170592684 BXARJQMHJXQLQS-UHFFFAOYSA-N 332.400 2.501 0 50 EFAA CC[C@H]1CN(C(=O)N[C@H](CC)c2nccs2)CCN1CC(F)F 222052374 OILHDCXWKQVWGH-NWDGAFQWSA-N 346.447 2.965 0 50 EFAA O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1F 170942101 GEUIHGHOSNZCCK-QGZVFWFLSA-N 341.386 2.823 0 50 EFAA CNc1nc(C)cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)n1 281238474 NIOUHTLOZXPROP-OAHLLOKOSA-N 338.411 2.704 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COC2CCC(C)CC2)c1 282511359 NYLXSNDYOOLDBO-DRWNQKMKSA-N 347.455 2.925 0 50 EFAA Cn1c(=O)oc2cc(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)ccc21 193789128 LBEANISHSMWWCZ-UONOGXRCSA-N 341.342 2.948 0 50 EFAA Cc1cnc(N2CCN(c3ccnc(C)n3)CC2)c(Br)c1 194327286 NRYUTVGPUNBRHD-UHFFFAOYSA-N 348.248 2.578 0 50 EFAA CCc1csc([C@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 195313620 ZHWPYESDBPQVGR-NSHDSACASA-N 328.445 2.766 0 50 EFAA C[S@](=O)CCCNC(=O)c1ccc(Cl)cc1Br 195539694 ZFZYFHMADKYZMX-KRWDZBQOSA-N 338.654 2.601 0 50 EFAA COCc1cc(NC(=O)NC2(c3cccc(OC)c3)CCC2)ncn1 666380889 HFYSOKRQBRNFRY-UHFFFAOYSA-N 342.399 2.833 0 50 EFAA Cc1ccc(F)c(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1F 678036122 YSBAFMXCPGLXTC-LBPRGKRZSA-N 346.381 2.831 0 50 EFAA COC[C@H]1NC(=O)N(c2ccc3cc(Br)ccc3c2)C1=O 772012538 UXDMHDBVWCAMKN-CYBMUJFWSA-N 349.184 2.674 0 50 EFAA CC(C)c1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)n[nH]1 209843739 BERMDBPFTYOMBG-PBHICJAKSA-N 331.391 2.663 0 50 EFAA OC[C@@]1(Cc2ccccc2)CN(C/C=C/c2ccccc2)CC[C@@H]1O 1529196650 CTFKPUQYZSULEM-VFPWRSFOSA-N 337.463 2.988 0 50 EFAA CCCn1nc(C)c(NC(=O)[C@H]2CCCCN2C(=O)C2CC2)c1C 1529119586 YGPMQAMLHPVYAF-OAHLLOKOSA-N 332.448 2.640 0 50 EFAA CCCN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCCC[C@@H]1O 1616106805 TXURKKAMCJGCOM-OALUTQOASA-N 346.471 2.679 0 50 EFAA CC(C)COc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1 12138861 NEZNWIDQDYYEBO-UHFFFAOYSA-N 343.452 2.921 0 50 EFAA Cc1ccc(CN(C)C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)o1 15073840 LGESRSLQXSKTOV-UHFFFAOYSA-N 349.394 2.981 0 50 EFAA CCCC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2CC 16649902 CVBCPCKWMOACJB-UHFFFAOYSA-N 330.432 2.627 0 50 EFAA Cc1cccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C(C)C)c1 16650182 YXKJNRJRWRCMCK-HNNXBMFYSA-N 328.416 2.608 0 50 EFAA CCCCc1ccc(NC(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc1 1857669216 CGPRFPDAEGZMLY-HNAYVOBHSA-N 346.427 2.984 0 50 EFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)c3ccoc3)CC1)OCC2 1857689286 MJJJGTPEKMJZGU-UHFFFAOYSA-N 347.392 2.744 0 50 EFAA O=S(=O)(Nc1nnc2ccccn12)c1ccc(C(F)(F)F)cc1 225550099 LLEBFQRVYHYNLL-UHFFFAOYSA-N 342.302 2.549 0 50 EFAA COc1ccc(CN(C(=O)C[C@@H]2COC(=O)C2)[C@@H](C)C2CC2)cc1 122895469 FHUOFSUZGSXGBX-ZFWWWQNUSA-N 331.412 2.776 0 50 EFAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 331450557 DVBBBARZSIQLTC-FHLIZLRMSA-N 345.418 2.925 0 50 EFAA CC(C)CCO[C@@H]1CCN(C(=O)CCc2ccc(C(=O)O)cc2)C1 236754577 BRNIAPSNTBLDDQ-QGZVFWFLSA-N 333.428 2.981 0 50 EFAA COC1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 333588666 UXGSWFQYLAFORG-NSHDSACASA-N 346.353 2.540 0 50 EFAA Cc1ccc(C[C@H](CO)CNC(=O)NCc2cccc(C)c2)cc1 240744088 HULGFFASLGZLST-IBGZPJMESA-N 326.440 2.954 0 50 EFAA CC(=O)NC1CCC(N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 133291230 FYBUCYNFAHYBNR-JQRITLKVSA-N 328.416 2.835 0 50 EFAA CCOc1c(Cl)cccc1CC(=O)N1C[C@H](OC)C[C@H]1COC 344804501 FDTGSMGOQPHSNI-UONOGXRCSA-N 341.835 2.544 0 50 EFAA CC(=O)N1C[C@@H](CCC(=O)N(C)Cc2ccncc2)c2ccccc21 373330552 DWZNKMZKRRBADY-QGZVFWFLSA-N 337.423 2.971 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 901042923 RMTQYYYREHZUHB-CYBMUJFWSA-N 348.418 2.826 0 50 EFAA COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@H]43)nn2C)cc1OC 933243020 GMZPWNYYGVQNHU-ZFWWWQNUSA-N 341.411 2.729 0 50 EFAA O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccccc1Br 241694018 QJSGNAPXZGMRHL-NSHDSACASA-N 340.217 2.865 0 50 EFAA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1nccs1 52385 DVOIHJCAVSWTEY-UHFFFAOYSA-N 342.409 2.693 0 50 EFAA COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1OC 316384 BVPQZEGXIAKUGJ-UHFFFAOYSA-N 344.386 2.805 0 50 EFAA Cc1ncn(-c2ccc(NC(=O)[C@H](C(C)C)n3cnnc3)cc2)c1C 2325780025 BDTPFQDTJAXODK-KRWDZBQOSA-N 338.415 2.916 0 50 EFAA COc1ccccc1-n1nc([C@H]2CCOC2)nc1[C@H]1C[C@H](N(C)C)C1 2325849443 PNQKCVBJTGGOST-KKUMJFAQSA-N 342.443 2.587 0 50 EFAA COc1ncccc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 110619621 VDYFGYFKLJHHTM-BBRMVZONSA-N 345.468 2.965 0 50 EFAA O=C(N[C@H](c1ccc(F)cc1)c1ccccn1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681295 WDCMMHZHAXGEAR-VDHUWJSZSA-N 341.386 2.929 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC)cc1 48747 VGJSNZGJASXCBD-OAHLLOKOSA-N 346.408 2.518 0 50 EFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 207310 ABYZJNSBCBPJEZ-MRXNPFEDSA-N 334.460 2.784 0 50 EFAA COc1ccc(-c2noc(CNC(=O)c3cccc(F)c3)n2)cc1 4868010 WPPXKCDDOBXTQE-UHFFFAOYSA-N 327.315 2.814 0 50 EFAA COc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1O 4910048 SHGSXDWMVCUZLJ-NSHDSACASA-N 329.352 2.892 0 50 EFAA Cc1cc2c(cc1S(=O)(=O)Nc1c(C)cccc1C)NC(=O)CO2 8306517 UXVXOHNUCMTBBM-UHFFFAOYSA-N 346.408 2.744 0 50 EFAA CCN1CCC(n2nccc2NC(=O)c2ccc(Cl)cn2)CC1 134775250 MLMXDXULHXSUQK-UHFFFAOYSA-N 333.823 2.841 0 50 EFAA CC(=O)NC1(C(=O)Nc2ccc3nc(S)oc3c2)CCCCC1 121114576 ARTZWYVVIBRWAK-UHFFFAOYSA-N 333.413 2.894 0 50 EFAA C[C@@]1(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CCCCO1 67983374 QCRNTZAGKBARMJ-IBGZPJMESA-N 343.402 2.872 0 50 EFAA CC(C)Oc1cc(N[C@@H](C)c2nncn2C2CCCC2)nc(N)n1 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EFAA COc1ccc(Cl)c2c1N(C(=O)c1cnc(N(C)C)cn1)CCC2 903116688 MTWKNWNOYOVUBC-UHFFFAOYSA-N 346.818 2.798 0 50 EFAA Cc1nc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cs1 1704300156 YQBZCHAELVZLFM-SFHVURJKSA-N 343.500 2.788 0 50 EFAA CCc1nc(O)c(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1C 823760071 CUMIHHWMLVOOEK-LBPRGKRZSA-N 344.386 2.609 0 50 EFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCc2c(ncn2CC)C1 933264489 XTKLDLVGTIRYMQ-QGZVFWFLSA-N 342.443 2.687 0 50 EFAA Cc1ccc(CNS(=O)(=O)N(C)C2CCOCC2)c2ccccc12 841553318 CALHEJZAZHJGNK-UHFFFAOYSA-N 348.468 2.593 0 50 EFAA CCC1(CNC(=O)c2cc(OC)ccc2Br)COC1 456510119 RKZHSFYDPXFERW-UHFFFAOYSA-N 328.206 2.614 0 50 EFAA O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccccc1 1427697 QNWJKMSFRBDCNG-CQSZACIVSA-N 349.342 2.747 0 50 EFAA CC(C)(C)c1ccnc(CN2C[C@H](CC(=O)O)OC3(CCC3)C2)c1 2325791916 INICFKFRBMRJOZ-INIZCTEOSA-N 332.444 2.977 0 50 EFAA C[C@@H]1CCO[C@H]1CC(=O)N1CCC(c2cccc(C(=O)O)c2)CC1 2325812912 QWGWKOQDANOWGQ-DYVFJYSZSA-N 331.412 2.906 0 50 EFAA CC[C@@H](C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 123815867 FBMKNQYZAXYPDZ-MJGOQNOKSA-N 345.418 2.827 0 50 EFAA CNC[C@@H]1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 237255212 RRRVGCABUTXXBO-SFHVURJKSA-N 340.471 2.620 0 50 EFAA Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 68345 HEQIGXQYZNHMLR-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA CC(C)c1nc2c(n1C)CCN(C(=O)COc1ccc(F)cc1)C2 112667965 VZIRYPFSKOLJFA-UHFFFAOYSA-N 331.391 2.646 0 50 EFAA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)Cc1ccccc1 309762 ACOJWHOVVIEHEP-UHFFFAOYSA-N 328.393 2.749 0 50 EFAA CC(C)(C)NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 619174 XXJIPHIQMIHPIC-UHFFFAOYSA-N 338.407 2.885 0 50 EFAA Cc1ccc(C2(C(=O)N3CCC[C@]34CCCN(C)C4=O)CC2)cc1 2356151430 IKDYPIGFEWQMBX-FQEVSTJZSA-N 326.440 2.640 0 50 EFAA COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1c(F)cccc1Cl 4198897 YBPXPSICTROIJY-SNVBAGLBSA-N 341.766 2.546 0 50 EFAA COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1 4488131 OZZRFDZYUKIOIF-UHFFFAOYSA-N 342.380 2.871 0 50 EFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1 134402347 CTQMHXJGKMVQCX-AWEZNQCLSA-N 346.818 2.982 0 50 EFAA Cc1cccc([C@H](C)NC(=O)c2ccccc2OCC(N)=O)c1C 115284604 QNVSLSNQTOPFFZ-AWEZNQCLSA-N 326.396 2.659 0 50 EFAA Cc1sc(=O)n(CC(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1C 230278782 QRADERJMKVHLSU-JFIYKMOQSA-N 342.464 2.619 0 50 EFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1ccc(Cl)s1 55327645 ZLLMVMOQTYHFMD-MRXNPFEDSA-N 342.892 2.645 0 50 EFAA COc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)cc1Cl 101993966 TVHTZAWCNONWKO-PVFTVIPPSA-N 333.771 2.669 0 50 EFAA C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1ccccc1)c1ccncc1 248260354 QFXCAQCDECJONQ-KSSFIOAISA-N 349.390 2.699 0 50 EFAA CC[C@@H]1CCCCN1C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 248501676 WWNWPYDFAZUNOT-QZTJIDSGSA-N 334.435 2.990 0 50 EFAA C=CC(=O)NCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 121708175 MMQMNFYKLSEWIR-HNNXBMFYSA-N 328.412 2.632 0 50 EFAA CC(C)CCN1C(=O)C[C@H](N2C[C@H](c3ccccc3)O[C@H](C)C2)C1=O 229669268 WSYSVBNXSLERFG-BPQIPLTHSA-N 344.455 2.622 0 50 EFAA CC(C)(CO)CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1 11818272 FVZFVAUEBLJMOL-UHFFFAOYSA-N 348.491 2.667 0 50 EFAA Cc1cccnc1C(=O)NC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 67983009 BVZMGKJCBKNKSL-OAHLLOKOSA-N 349.438 2.518 0 50 EFAA O=C(CO)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67641967 FUQAXHKTUSRNJS-UHFFFAOYSA-N 326.274 2.501 0 50 EFAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccncc2)CC1 61742999 SHEFGFPCOIPELQ-UHFFFAOYSA-N 340.471 2.882 0 50 EFAA C[C@@H](c1nnnn1C1CCCCC1)n1ccc(C(F)(F)F)cc1=O 329262443 BKQWVPSHXAAFET-JTQLQIEISA-N 341.337 2.968 0 50 EFAA Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NCc1cc(C(C)C)no1 20363848 QCTOJXWJYGOGOM-AWEZNQCLSA-N 327.384 2.849 0 50 EFAA O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1c1ccco1 123618551 BVBGNCJMIRRYRW-CABCVRRESA-N 331.343 2.748 0 50 EFAA CC(C)CN1CCN(Cc2cnn(-c3ccccc3F)c2)[C@H](C)C1=O 77322015 YQDQAOWWARXOTI-OAHLLOKOSA-N 344.434 2.700 0 50 EFAA CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)s[nH]1 329805650 ASLYHODESAVANT-MNOVXSKESA-N 338.477 2.679 0 50 EFAA c1ccc(CN2CCCO[C@H](CN3CCO[C@H]4CCC[C@H]43)C2)cc1 283882691 ARHFKTZKTQUGKJ-ZCNNSNEGSA-N 330.472 2.531 0 50 EFAA Cc1cc(C(=O)CCC(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)s1 331100028 CPKDDXZGCODLPW-RYUDHWBXSA-N 341.498 2.696 0 50 EFAA Cc1ccc(C[C@H](CO)CNC(=O)COc2ccccc2Cl)cc1 252496304 PGFUGGVUYZBGNX-INIZCTEOSA-N 347.842 2.995 0 50 EFAA Cn1ccnc1[C@@H](NCc1ccc2c(c1)ncn2C)C1CCOCC1 284652263 GGRQXZYZCYSNNZ-SFHVURJKSA-N 339.443 2.564 0 50 EFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 252512098 MJYSOSOOXMZDEJ-SOUVJXGZSA-N 347.463 2.527 0 50 EFAA CCOC[C@@H]1CCN(C(=O)c2ccc(-c3nnc(S)o3)cc2)C1 127593298 PJDAUQBVGXDTQA-LLVKDONJSA-N 333.413 2.524 0 50 EFAA CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](CCC)c2ccccn2)C1 253406004 VAEXQDKCZWQEKB-JKSUJKDBSA-N 331.460 2.730 0 50 EFAA O=C(Cc1n[nH]c2ccccc12)N1CCCN(C2CCCC2)CC1 253425686 XJDPPBSKGMWMBT-UHFFFAOYSA-N 326.444 2.582 0 50 EFAA Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)c2cnnn2C)cc1 253426659 LRXCFEVIPXYVAJ-UHFFFAOYSA-N 348.366 2.822 0 50 EFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(Cc3cccnc3)CC2)n1 72440123 MNBNYLXPCFVHDO-UHFFFAOYSA-N 342.443 2.652 0 50 EFAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](O)c2ccccc2C1 361121212 FTFIBWHBSGBEIM-IBGZPJMESA-N 333.391 2.952 0 50 EFAA CO[C@H](C)c1nc(CNC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 241657674 PYHHLCSXCVSWID-VXGBXAGGSA-N 349.460 2.663 0 50 EFAA COc1ccc2c(c1)CN(C(=O)c1ccc3c(c1)ncn3C)CCO2 456158499 MZBLYGBAXNNMIT-UHFFFAOYSA-N 337.379 2.617 0 50 EFAA O=C1NC[C@]2(CCCN(Cc3cnc(C4CCCCC4)nc3)CC2)O1 72162657 HHZNJQIXTYDTFV-LJQANCHMSA-N 344.459 2.989 0 50 EFAA C[C@H](C1CCN(Cc2cnc(N3CCCCC3)nc2)CC1)N(C)C 77287499 DXVWIFIDXVBJRO-MRXNPFEDSA-N 331.508 2.629 0 50 EFAA CS(=O)(=O)C[C@@H](NCC1=Cc2ccccc2OC1)c1ccccc1 154979742 RQQIQVITGVPDFF-GOSISDBHSA-N 343.448 2.838 0 50 EFAA CC(=O)Nc1nc(C(=O)Nc2ccc(CN(C)C)c(C)c2)cs1 458293208 UZKZRYKPGKMWGD-UHFFFAOYSA-N 332.429 2.724 0 50 EFAA OC1(c2cccnc2)CCN(Cc2cccc(Cn3cccn3)c2)CC1 215455349 IAWSVIDQCLKXAG-UHFFFAOYSA-N 348.450 2.810 0 50 EFAA COc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1 13636021 JRQWPSDRRXDASL-UHFFFAOYSA-N 327.453 2.849 0 50 EFAA C[C@H]1CCC[C@@H](C)[C@@H]1NCC(=O)Nc1cccc(C(=O)N(C)C)c1 245886786 OXBPLIYSLFQSGY-UOIKSKOESA-N 331.460 2.741 0 50 EFAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H](n2cncn2)C1 176020079 VARAORPNDMWOLL-CHWSQXEVSA-N 347.394 2.534 0 50 EFAA Cc1cc2c(cc1NC(=O)NCc1cncn1CC(C)C)OCCO2 426398031 IRDZLBGRAZHSII-UHFFFAOYSA-N 344.415 2.940 0 50 EFAA Cc1cn2cc(C(=O)NC[C@H]3CCCN(c4ccccn4)C3)ccc2n1 82086546 MZXISFODMGSXBV-MRXNPFEDSA-N 349.438 2.684 0 50 EFAA Cc1ccc(CNC(=O)N[C@@H]2CCCCC23CCCC3)c(=O)n1C 291220402 LLKPUETXIDMQOS-MRXNPFEDSA-N 331.460 2.996 0 50 EFAA CC(C)Cc1nc(CNC(=O)N2CCC(c3ccncc3)CC2)no1 426533928 CTGQDUFPSACWQQ-UHFFFAOYSA-N 343.431 2.752 0 50 EFAA CCN(C)C(=O)c1ccc(-c2ccc(O[C@H](C)C(N)=O)cc2)cc1 426658542 TWKADRNSHWFMNX-CYBMUJFWSA-N 326.396 2.698 0 50 EFAA CCOc1ccc(CCCC(=O)N[C@@H]2CCOC[C@H]2OC)cc1C 222437574 VUSSNGXVTJMVFD-SJLPKXTDSA-N 335.444 2.637 0 50 EFAA O=C(NCc1ccccc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91680047 YBKHZYOYOIHCKV-ZWKOTPCHSA-N 341.455 2.619 0 50 EFAA COCC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2COC)c1C 96160418 WYVDWZBRDNVRJI-CQSZACIVSA-N 349.431 2.613 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)c2c(C)nn3c(C)cc(C)nc23)c1 97572127 VXGOTBOUORWNQI-UHFFFAOYSA-N 337.427 2.939 0 50 EFAA CC(=O)NCc1ccc(N2CCC[C@@](CO)(CC=C(C)C)C2)nc1 91519189 XZFRXGISBVRDNZ-LJQANCHMSA-N 331.460 2.653 0 50 EFAA CCC[C@@H](C)n1nccc1NC(=O)N1CCN(c2cccnc2)CC1 97713619 JBUUPZQNMDUEQZ-OAHLLOKOSA-N 342.447 2.993 0 50 EFAA CCN(C)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CO 91416847 RVBIWKJTCDFRBF-HUUCEWRRSA-N 330.394 2.697 0 50 EFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)CCc1scnc1C)C2 92096636 UBAAXEZJCSGBTL-AWEZNQCLSA-N 346.452 2.712 0 50 EFAA COc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1Cn1cccn1 95360404 QOAWSSPRUJDHIQ-HXUWFJFHSA-N 341.455 2.943 0 50 EFAA CCCn1ncc(C(=O)NCCc2nc3c(s2)CCCC3)c1C 91985489 VNTPUZSWPIQPMS-UHFFFAOYSA-N 332.473 2.909 0 50 EFAA O=C(NCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95388870 TYDJTGMWDAXSPH-UHFFFAOYSA-N 335.342 2.794 0 50 EFAA CN(C)[C@H]1CCCN(CCC(=O)NCc2cccc(Cl)c2)CC1 244659881 HKKLJAHJVKUSHS-KRWDZBQOSA-N 337.895 2.762 0 50 EFAA COc1ccccc1CNC(=O)CCN1CCC[C@@H]1c1nccs1 252487705 IAHGZCYBFFNIQK-OAHLLOKOSA-N 345.468 2.995 0 50 EFAA COc1ccc(F)c(F)c1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252572385 ZEZMLFGDZFNUHU-DINDLPBHSA-N 348.349 2.610 0 50 EFAA CC(C)(C)OC(=O)n1nc(Br)nc1Br 606241676 VBRAYLVMILIFIM-UHFFFAOYSA-N 326.976 2.586 0 50 EFAA CCc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299763226 ZCBANTBLXTVGFT-UHFFFAOYSA-N 348.454 2.863 0 50 EFAA COc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)ccn1 824851742 BLYWOUKNYSCDRP-AWEZNQCLSA-N 331.441 2.546 0 50 EFAA CCCOCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 952994937 XESCMORSGOWETN-IBGZPJMESA-N 333.428 2.966 0 50 EFAA COc1ccc(NC(=O)N2CCN(c3ccncc3)[C@H](C)C2)cc1F 878277753 YRNADSWBSAZVRI-CYBMUJFWSA-N 344.390 2.972 0 50 EFAA C[C@@H]1CN([C@@H](CNc2ncnn3cccc23)c2cccs2)CCO1 1875294344 FNTBVANQJYKTCE-HIFRSBDPSA-N 343.456 2.665 0 50 EFAA O=S(=O)(Cc1ccc2nonc2c1)N[C@@H](c1cccs1)C1CC1 1875288638 RJSPZIHKEOBNFU-OAHLLOKOSA-N 349.437 2.855 0 50 EFAA NCCn1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cn1 1875362204 VRKKBJUVCJLCQI-UHFFFAOYSA-N 332.407 2.712 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCOC23CCCC3)cc1 1875373977 WYDULSSKPDYONN-INIZCTEOSA-N 328.412 2.667 0 50 EFAA COCC1=CCN(C(=O)c2c(Cl)ccnc2Br)CC1 952884362 YYNZMCKCOIPUTO-UHFFFAOYSA-N 345.624 2.916 0 50 EFAA Cc1cncc(CCNC(=O)Nc2ccc(C(=O)C(C)C)cc2)n1 888102373 QYXTZORKSHHCKX-UHFFFAOYSA-N 326.400 2.988 0 50 EFAA O=C(N[C@@H]1C[C@H]1c1ccco1)N1Cc2ncccc2N2CCC[C@H]2C1 895395894 OAWPVSFWFNQBAD-RRFJBIMHSA-N 338.411 2.725 0 50 EFAA CCc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)[nH]n2)c(C)n1 1776000100 FQUZNWJMUCRNBE-UHFFFAOYSA-N 327.310 2.579 0 50 EFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CCCn1nc(C)cc1C 1565531312 NDMOEADMISYNOW-ROUUACIJSA-N 349.475 2.537 0 50 EFAA O=C(NCc1nc2c([nH]1)CCCC2)c1ncsc1C(F)(F)F 1363690614 SVGGODZFUCJGLW-UHFFFAOYSA-N 330.335 2.694 0 50 EFAA Cc1cc(C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cnn1 276510996 KRIIMYACDMQRLP-QGZVFWFLSA-N 331.391 2.756 0 50 EFAA Cc1ccc(N2CCC[C@@H]2COC(=O)c2cc[nH]c2C2CC2)nn1 225388983 WMUZUHHOFJYCNQ-CQSZACIVSA-N 326.400 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EFAA COCc1cc(CNC(=O)c2c(Cl)ccc3ncccc23)[nH]n1 1775982848 QARBDXIJKMKORN-UHFFFAOYSA-N 330.775 2.688 0 50 EFAA Cc1ccc(NS(=O)(=O)c2cccs2)cc1N1CCCC1=O 5329581 HZDCDNMVGQFGCB-UHFFFAOYSA-N 336.438 2.984 0 50 EFAA O=C(CC[C@H]1CCCN(C(=O)CCc2ccccc2)C1)NC1CC1 12073350 BGFNMVRMLSGVDT-QGZVFWFLSA-N 328.456 2.917 0 50 EFAA O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCC2 12343581 LERCBRRAEXCDGY-GFCCVEGCSA-N 334.441 2.637 0 50 EFAA O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1 13494891 UENCNHVKYDTZNU-UHFFFAOYSA-N 349.799 2.869 0 50 EFAA CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccn2)CC1 13744884 YZATUOWPBZLKOH-QGZVFWFLSA-N 339.439 2.896 0 50 EFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1 15836409 CFNQUSFXODFFIA-HNNXBMFYSA-N 334.397 2.764 0 50 EFAA COc1ccc2nc(Nc3nc(=O)c4c([nH]3)CCCC4)nc(C)c2c1 18061628 AMYAHANWDRGCKQ-UHFFFAOYSA-N 337.383 2.653 0 50 EFAA Cc1nc2ccc(Cc3nc([C@H](C)O)nn3CC(F)(F)F)cc2[nH]1 1857671986 BEHCGOVHJLPZHV-QMMMGPOBSA-N 339.321 2.669 0 50 EFAA COc1cc(-c2nccn2-c2ccc(Cl)c(C(N)=O)c2)ccn1 1857688997 APXHIYUBKIUZOS-UHFFFAOYSA-N 328.759 2.695 0 50 EFAA COC(=O)c1cc(Br)ccc1I 2516934 CJRHLSZJEFJDLA-UHFFFAOYSA-N 340.942 2.840 0 50 EFAA in-vitro Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C)n2C)o1 122517761 KDUVXGNVHNNRER-QGZVFWFLSA-N 336.395 2.965 0 50 EFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 132041110 IBALQDXOQAMAFB-GOSISDBHSA-N 346.519 2.930 0 50 EFAA Cc1ccoc1CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 343562226 IVGDLNOLHIXPGQ-CQSZACIVSA-N 332.787 2.911 0 50 EFAA COc1cc(Cl)cc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1OC 247924248 YURYVVDIWFWTHO-KGLIPLIRSA-N 339.819 2.900 0 50 EFAA CCOC1CC(N(C)CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C1 347461946 TYOGZAFKINCYEQ-NLPFYKDJSA-N 346.471 2.762 0 50 EFAA Cc1cccc(CNc2n[nH]cc2C(=O)N(C)C)c1Br 902659618 RBLPMFUAHFUUGA-UHFFFAOYSA-N 337.221 2.795 0 50 EFAA COc1cccc(S(=O)(=O)N(C)C2CCC(F)(F)CC2)c1OC 907189313 WFCGGCFIHKESPC-UHFFFAOYSA-N 349.399 2.902 0 50 EFAA CCCc1cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)cc(O)n1 820324718 VPGAMVPLPDAICZ-HNNXBMFYSA-N 343.402 2.888 0 50 EFAA C[C@H]1CN(CCNC(=O)Nc2cccnc2-c2ccccc2)CCO1 930550040 HCKZQXLFHAHAHO-HNNXBMFYSA-N 340.427 2.591 0 50 EFAA CSc1ccc(OC[C@@H](O)CN[C@H](C)Cc2cccnc2)cc1 934230045 MDSPSSUBOIPRJB-ZBFHGGJFSA-N 332.469 2.764 0 50 EFAA Cc1ccccc1[C@@H](C)C(=O)NCc1ccc(S(C)(=O)=O)s1 935586625 VNCJVJNGRZHXLR-GFCCVEGCSA-N 337.466 2.880 0 50 EFAA COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OC)cc1Cl 100085761 TVHTZAWCNONWKO-DMAMZFHHSA-N 333.771 2.669 0 50 EFAA COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N 105420 FKMIASWZTUXLNT-UHFFFAOYSA-N 326.146 2.913 0 50 EFAA aggregator CCCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCC2 2095918 HTYIPWZSGDUFJS-BQYQJAHWSA-N 337.397 2.773 0 50 EFAA Cc1ccc([C@@](C)(CO)NC(=O)c2cccc(C(=O)O)c2C)cc1C 2325788594 QVZMRCNQUWTTCI-HXUWFJFHSA-N 341.407 2.948 0 50 EFAA CCc1nc2ccc(Cl)cn2c1C(=O)N1CC[C@@H]2NCCC[C@@H]2C1 2325795135 HYPWZPIKVQPUFX-DOMZBBRYSA-N 346.862 2.764 0 50 EFAA C[C@H](C(=O)NC[C@@H](N)C1CC1)c1ccc(C(=O)c2cccs2)cc1 2325815720 IZJHWHVBMOWTQY-BLLLJJGKSA-N 342.464 2.936 0 50 EFAA CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 529147 MNWQPBZLRNJOFB-UHFFFAOYSA-N 349.408 2.981 0 50 EFAA CCOc1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl 621321 UUJMIGUJUMNIGA-UHFFFAOYSA-N 326.805 2.612 0 50 EFAA COc1ccc(-c2onc(N[C@H](C)Cn3cccn3)c2C(=O)O)cc1 2356157875 VRIWGCUIHCWOSF-LLVKDONJSA-N 342.355 2.746 0 50 EFAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccccc12 4090770 JBFYBXHWCGNNGC-HXUWFJFHSA-N 331.375 2.768 0 50 EFAA biogenic CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(F)c1 6268690 ANUHILVPZMPTQJ-UHFFFAOYSA-N 326.324 2.589 0 50 EFAA C[C@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1 6700222 OTPNPJIEBQCWGN-GXFFZTMASA-N 328.206 2.512 0 50 EFAA CCn1nccc1CN[C@@H](C(=O)O)c1ccc(Br)cc1 417582880 KCIXHFGVHPYLPY-CYBMUJFWSA-N 338.205 2.581 0 50 EFAA Cc1ccc(Cl)cc1N1C(=O)C[C@H](Sc2ncccn2)C1=O 100116904 AIZDTYHICOWUOZ-LBPRGKRZSA-N 333.800 2.863 0 50 EFAA COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C 9476594 RVULYEHKQPSFQD-UHFFFAOYSA-N 331.401 2.764 0 50 EFAA CCc1nc(CN(C)C(=O)c2cc(CN(CC)CC)c(CC)o2)no1 55281508 AVHJSAWEPCCGSJ-UHFFFAOYSA-N 348.447 2.901 0 50 EFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Cl 101429398 QACDKMVFVUKOML-RYUDHWBXSA-N 332.787 2.620 0 50 EFAA CCCC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2cnccn2)c1 55402278 FURWZDUNCAEVHK-ZDUSSCGKSA-N 326.400 2.576 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1cc(-c2cccnc2)no1 65369907 XOBUXIJWZDNPLQ-CYBMUJFWSA-N 328.416 2.616 0 50 EFAA CS(=O)(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1 22464494 WFPFKLNIKDZNNA-UHFFFAOYSA-N 345.380 2.687 0 50 EFAA Cc1ccsc1CN(C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)C1CC1 67714230 ILKJIPIZHQBGEP-NEPJUHHUSA-N 337.514 2.563 0 50 EFAA O=C(Nc1cccc(-n2cccn2)c1)N[C@@H]1CCN2CCCC[C@@H]12 229120711 DXMIJAQUNVSOQU-SJORKVTESA-N 325.416 2.621 0 50 EFAA CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1cccc(Cl)c1)C2 67724428 IZPDMWMTCUUQOI-CYBMUJFWSA-N 333.819 2.902 0 50 EFAA CCN(CCNC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)c1ccccc1C 229315847 RSLKKCWMFMDBNZ-IAGOWNOFSA-N 346.471 2.917 0 50 EFAA O=C1OCC[C@@H]1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 229583040 QWZRYVZARRQPHW-QWHCGFSZSA-N 334.174 2.821 0 50 EFAA C[S@@](=O)c1ccc(NC(=O)CCc2ccccc2C(=O)O)cc1 347350691 RFNVGTMFLJCRJT-HSZRJFAPSA-N 331.393 2.694 0 50 EFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCOC2(CCOCC2)C1 135642517 HVJDQMQTUMTMRT-CQSZACIVSA-N 329.400 2.679 0 50 EFAA C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c2ccccc21 230135163 GWIUFWHUTXGDRG-HBUWYVDXSA-N 341.455 2.935 0 50 EFAA COCCOCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67192875 QSWQTLHCVIPQAJ-CQSZACIVSA-N 348.226 2.556 0 50 EFAA CCc1nnc(C)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331926121 MGZDNPQHDWDERD-YVEFUNNKSA-N 347.365 2.574 0 50 EFAA Cc1ccc2oc(N3CCN(C(=O)Cc4ccoc4)CC3)nc2c1 124243594 OFTQKGJJIQAOGW-UHFFFAOYSA-N 325.368 2.621 0 50 EFAA CCOC(=O)c1csc(=O)n1Cc1coc(-c2ccc(F)cc2)n1 128132205 NAKHUBOOPMZUSO-UHFFFAOYSA-N 348.355 2.929 0 50 EFAA COCCN1CCN(C[C@@H](O)c2cc(Cl)ccc2Cl)C[C@H]1C 242048173 VTLGGAPYCISFJT-MLGOLLRUSA-N 347.286 2.679 0 50 EFAA COc1cc(CN[C@@H]2CCN(c3ccccc3OC)C2=O)ccc1C 237375513 YTLPMDZFNHSZNG-MRXNPFEDSA-N 340.423 2.907 0 50 EFAA O=C(CN1CCN(c2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 35840511 VHEIMYWBEICIIK-HXUWFJFHSA-N 348.450 2.768 0 50 EFAA COc1cc(F)cc(CNC2CCN(c3cc(C)nc(C)n3)CC2)c1 449226930 SPCLDVKUYKUQLA-UHFFFAOYSA-N 344.434 3.000 0 50 EFAA CSc1ncc(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cn1 219763011 AYVCIDFXEWACBK-UHFFFAOYSA-N 339.424 2.861 0 50 EFAA CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1C(=O)O 215265251 YIEKQJBHEMPISM-IUODEOHRSA-N 327.384 2.650 0 50 EFAA COc1ccc(OC(F)(F)F)c(C(=O)NCCc2cc(C)no2)c1 451715275 WCAJGFFCPBBIDG-UHFFFAOYSA-N 344.289 2.863 0 50 EFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 131928013 KFTXHTQJUKCFFQ-CYBMUJFWSA-N 345.830 2.547 0 50 EFAA Cc1cccnc1N1CCN(Cc2cnc3cc(O)ccc3c2)CC1 71752439 SSDHFYHDAGGGCR-UHFFFAOYSA-N 334.423 2.966 0 50 EFAA CC(=O)c1c(C)[nH]c(C(=O)NCCOc2ccc(Cl)cn2)c1C 154081242 BSBBTBGUJNVREP-UHFFFAOYSA-N 335.791 2.691 0 50 EFAA Cc1ccnc([C@H](NC(=O)Cc2sc(S)nc2C)C2CC2)n1 134284850 DZIKUVJAIJAAQN-CYBMUJFWSA-N 334.470 2.649 0 50 EFAA COC(=O)c1cc(CN2CCN(Cc3ncccc3C)CC2)cs1 72133166 GGZOHRICBXAQSS-UHFFFAOYSA-N 345.468 2.556 0 50 EFAA COCc1nc(CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)no1 72154352 IZCCFBPIMFASMS-AWEZNQCLSA-N 345.378 2.959 0 50 EFAA COc1ccnc(N2CCC[C@H]2C(=O)N2CCC[C@@H]2C2CCCC2)n1 371173637 QDSLAFNZCRYSTK-CVEARBPZSA-N 344.459 2.635 0 50 EFAA N[C@@H]1CCC[C@H](C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)C1 262081383 FHSXZGVVMCNOTB-BBWFWOEESA-N 347.528 2.736 0 50 EFAA O=C(O)Cc1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 263112698 BIPFQBZIZMKIAN-KRWDZBQOSA-N 325.364 2.956 0 50 EFAA Cc1nc2ccccn2c1CN1CCC[C@@H](CCC(=O)N(C)C)C1 72139099 HULQMAVXJYDKGO-INIZCTEOSA-N 328.460 2.723 0 50 EFAA O=C(Cc1c(Cl)cccc1Cl)N[C@@H](C(=O)O)[C@H]1CCCOC1 262877554 XGUNFTWKUDSZHX-LKFCYVNXSA-N 346.210 2.532 0 50 EFAA CC(C)[C@@](C)(CO)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 378121471 UYOGJMDCLUFTHW-AZUAARDMSA-N 347.503 2.605 0 50 EFAA CO[C@H](C(=O)N1CCCN(c2ccnc(C)c2)CC1)c1ccccc1 82108753 DCAXKIVGNDKSPK-IBGZPJMESA-N 339.439 2.816 0 50 EFAA Cc1cc(C(=O)N2CC[C@H](CN)C2)cc(C)c1OCc1cccnc1 178578098 PAWXMENURGOSIW-MRXNPFEDSA-N 339.439 2.698 0 50 EFAA CCOCc1cc(CN2CCCN(C(=O)C(C)C)CC2)ccc1OC 179400850 QTXPPSMSAQHYRJ-UHFFFAOYSA-N 348.487 2.922 0 50 EFAA O=S(=O)(c1ccccc1)N1CCC(c2nccn2CC2CC2)CC1 82096283 VNZHWNBECRDVQP-UHFFFAOYSA-N 345.468 2.861 0 50 EFAA O=C(c1cccc2nccnc12)N1CCC[C@@H](OCc2cccnc2)C1 82120111 RMAZLMDZRNPETC-MRXNPFEDSA-N 348.406 2.846 0 50 EFAA Cc1ccc(N2CCN(C(=O)c3ccn(C(F)F)n3)[C@H](C)C2)cc1 82108457 UAMSHYZEGHSDRE-CYBMUJFWSA-N 334.370 2.938 0 50 EFAA O=C(O)[C@@]1(CC2CC2)CCCN(Cc2ccccc2OCCO)C1 91644212 XUFGQEDFSHQUIM-LJQANCHMSA-N 333.428 2.525 0 50 EFAA O=C1CCc2cc(F)cc(NC(=O)N[C@H]3COC4(CCCC4)C3)c2N1 96139407 GKXBNEMFWIZPSP-CYBMUJFWSA-N 347.390 2.934 0 50 EFAA C=Cc1ccc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)cc1 96150160 PSCOEQYFBJNLNQ-UHFFFAOYSA-N 328.416 2.706 0 50 EFAA CCN(C(=O)c1ccc(N(C)CCO)cc1)[C@H]1CCOC(C)(C)C1 230494123 JKXBLTKYFVLAEG-KRWDZBQOSA-N 334.460 2.535 0 50 EFAA CC[C@H]1CCCCN1C(=O)Cn1cnc2cc(F)c(C)cc2c1=O 182281732 MQWAXLKKSGQHIR-ZDUSSCGKSA-N 331.391 2.635 0 50 EFAA Cc1cc([C@H]2CCCCN2CC(=O)N2CCOc3ccccc32)no1 244674009 HZRWNQWUUWNXEK-MRXNPFEDSA-N 341.411 2.936 0 50 EFAA CC(C)NC(=O)c1ccnc(CC[C@H]2COc3ccccc3O2)c1 252508539 XOTXZNXWYXYZMA-INIZCTEOSA-N 326.396 2.992 0 50 EFAA COc1ccc(C(N)=O)cc1NC(=O)[C@@H](CC(C)C)n1cccc1 253409663 MEHXNRDFUJVJKG-OAHLLOKOSA-N 329.400 2.822 0 50 EFAA CC[C@H](NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1)c1ccnn1C 534655882 TXSMHZZGAMTBTO-INIZCTEOSA-N 344.463 2.596 0 50 EFAA Cc1cccc(N2CCC(NCc3noc([C@H]4CCCO4)n3)CC2)c1 534673855 FCIWUJOYKXRUPE-QGZVFWFLSA-N 342.443 2.988 0 50 EFAA CC[C@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cn1 299792181 DFNJXHHVTTUHMJ-INIZCTEOSA-N 346.452 2.604 0 50 EFAA O=C(NCc1cc2n(n1)CCN(Cc1ccsc1)C2)C1CCCC1 299800553 WTDKNYMGMFNMEN-UHFFFAOYSA-N 344.484 2.767 0 50 EFAA CCCc1nc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 299783182 KEFIVNGTZQWIFW-KRWDZBQOSA-N 344.484 2.944 0 50 EFAA COc1cccc2c1OC[C@H](NC(=O)CCc1scnc1C)C2 665725821 LMUNBYFHEGOALZ-CYBMUJFWSA-N 332.425 2.513 0 50 EFAA COc1cccc(C(=O)NCCC(=O)N[C@@H](C)C2=CCCCC2)c1 824767761 ONFUYFNPIONLPH-AWEZNQCLSA-N 330.428 2.820 0 50 EFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC(C2CCNCC2)CC1 1161205481 NCMRECILIFUGBW-UHFFFAOYSA-N 340.471 2.734 0 50 EFAA Cc1ccc(NS(=O)(=O)c2cnc3[nH]cncc2-3)cc1OC(C)C 1875280868 DDHFWYMTYAALCS-UHFFFAOYSA-N 346.412 2.806 0 50 EFAA CCOc1cc(Cn2cc(-c3ccc(OC)c(OC)c3)nn2)ccn1 1875282083 LYSCGLZVCYFIJF-UHFFFAOYSA-N 340.383 2.804 0 50 EFAA CSc1cccc(C(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)n1 1875378864 GZGAETBCXOMMLQ-UHFFFAOYSA-N 339.424 2.827 0 50 EFAA CCn1nc(C(=O)N2CCOC3(CCC3)CC2)c2c1[C@H](C)O[C@H](C)C2 1875300076 KKBAQINENXNFJW-KGLIPLIRSA-N 347.459 2.710 0 50 EFAA C[C@H]1[C@@H](C)N(C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC[S@]1=O 1875391412 MNOBAAMDGSZKOY-SMVQZPNHSA-N 331.481 2.649 0 50 EFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1csc(C(C)=O)c1 952869349 HQFUQPFJKJZSSD-UHFFFAOYSA-N 342.380 2.792 0 50 EFAA CCOc1ccc(Cl)c(-c2nnc([C@@]3(OCC)CCOC3)o2)n1 886082323 XZLISCHMHLRFCE-OAHLLOKOSA-N 339.779 2.836 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(-c2coc(C3CC3)n2)o1 886095007 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2.919 0 50 EFAA CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CC[C@@H](CO)CC2)cc1 647525905 BPJVFXOOUXIWSN-JQHSSLGASA-N 335.488 2.865 0 50 EFAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(C)n2C)cc1 762369272 GAGCLZOSDLOMQH-AZUAARDMSA-N 342.439 2.854 0 50 EFAA CCC1=NO[C@@H](CNC(=O)CC(=O)Nc2cccc(Cl)c2C)C1 1506427689 ZBBVNOFNWUQHLN-GFCCVEGCSA-N 337.807 2.648 0 50 EFAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)c2cccn2C2CC2)C1=O 1506405016 WVLKLYTWWJDPKE-LLVKDONJSA-N 338.367 2.520 0 50 EFAA COc1c(C)cnc(CN[C@H]2CCC(=O)N(CC3CC3)CC2)c1C 1506429129 VNSBXAFOSHQIQF-INIZCTEOSA-N 331.460 2.588 0 50 EFAA Cc1nn(C)c(C)c1CN(C(=O)[C@H](O)c1ccccc1Cl)C1CC1 1506418885 UKBGMRKUFUIASJ-QGZVFWFLSA-N 347.846 2.915 0 50 EFAA CCc1nccn1C[C@@H](C)NCc1nc(-c2ccccc2F)no1 1506412873 FUXGGUNATPFJME-GFCCVEGCSA-N 329.379 2.813 0 50 EFAA Cc1cc(C)n(C[C@H](C)N2CCN(CCc3ccccc3)CC2)n1 1506406712 NAPRLDCRSQPHKL-IBGZPJMESA-N 326.488 2.749 0 50 EFAA Nc1nc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cs1 1529151156 GOELUHTWJVWMOQ-LSDHHAIUSA-N 329.425 2.718 0 50 EFAA Cc1cc(C(F)(F)F)nc(CN[C@@H](C)Cn2nc(C)cc2C)n1 1529172242 ASSXCEINFYFGEF-NSHDSACASA-N 327.354 2.795 0 50 EFAA Brc1cnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)nc1 369472121 RPPIVFIEQFSSCK-NEPJUHHUSA-N 326.238 2.882 0 50 EFAA COc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C2CC2)cc1 16624495 SEANNZVAIWUIEW-UHFFFAOYSA-N 341.396 2.862 0 50 EFAA Cc1ccc(N2CCN(C[C@H](O)COC3CCCCC3)CC2)cc1 19878538 UXUFAUJVKULPJG-IBGZPJMESA-N 332.488 2.827 0 50 EFAA CC[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)c1nccs1 162629460 ONBDYSYWDRYEMY-CQSZACIVSA-N 333.461 2.913 0 50 EFAA CCC[C@@]1(CO)CN(C(=O)Cc2ccc(C(C)C)cc2)CC[C@@H]1O 1857733216 ZXBGIJLFNYOHDS-ICSRJNTNSA-N 333.472 2.725 0 50 EFAA Cc1cc(CN(C)c2cnn(Cc3ccccc3)c(=O)c2Cl)no1 301228011 CXXUHCCMNUFMAV-UHFFFAOYSA-N 344.802 2.878 0 50 EFAA O=C(NC[C@H](CO)Cc1ccccn1)c1cc2ccc(Cl)cc2[nH]1 304762649 QWIGQIHHDIRDDG-GFCCVEGCSA-N 343.814 2.797 0 50 EFAA O=C(CCOc1ccccc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225537097 ILCFCARPKXRUHJ-WMZOPIPTSA-N 329.371 2.929 0 50 EFAA Cc1cc(CS(=O)(=O)NC2(c3ccc(F)cc3F)CCC2)no1 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335.179 2.954 0 50 EFAA COCC[C@@H]1COCCN1C(=O)c1nc2ccccc2cc1C1CC1 905720155 QSSMOJGZKORTPL-MRXNPFEDSA-N 340.423 2.990 0 50 EFAA Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1 907364924 OHEMXIOBWNASLA-UHFFFAOYSA-N 337.470 2.576 0 50 EFAA C=CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1262556699 ZLDAOLMAOSDORY-UHFFFAOYSA-N 349.434 2.702 0 50 EFAA C=CC(=O)N(C)CC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 860893680 RHYBDZYSEZELGQ-UHFFFAOYSA-N 334.366 2.615 0 50 EFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1C 122584 PVBUOSWOKKVKRP-MRXNPFEDSA-N 346.383 2.729 0 50 EFAA COc1cccc(OC)c1OCC(=O)c1ccc2c(c1)OCCO2 6668448 ZOCWVAAUHPDBQO-UHFFFAOYSA-N 330.336 2.737 0 50 EFAA CC(C)(C)[C@@H]1C[C@H](C(=O)O)CN(Cc2cnc3c(c2)COCC3)C1 2325787720 SAADKKYAZBIYFP-GOEBONIOSA-N 332.444 2.723 0 50 EFAA O=S1(=O)CCCC[C@H]1c1nc(-c2nccc3c2CCCC3)no1 903763600 VAGOZOOYOJDBCG-ZDUSSCGKSA-N 333.413 2.650 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCCc2[nH]ncc21 245631821 UQPSPWKVGOAZET-ZFWWWQNUSA-N 344.846 2.878 0 50 EFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2F)C1=O 118788 MZLWPOIYIBODOL-CQSZACIVSA-N 345.351 2.948 0 50 EFAA O=C(CCN1C(=O)c2ccccc2C1=O)Oc1cccc2cccnc12 463721 NRMVXRLRFUEISB-UHFFFAOYSA-N 346.342 2.827 0 50 EFAA COc1ccnc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 2356147563 CEVYYVCYQFYPOW-RHSMWYFYSA-N 336.395 2.703 0 50 EFAA CC(C)(C)c1nnc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)s1 2709894 VZVDRMAJARYQOG-KRWDZBQOSA-N 345.424 2.946 0 50 EFAA CCCc1nc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cs1 2356168481 FXUZCBMHDGZRHN-GOSISDBHSA-N 347.484 2.855 0 50 EFAA Cc1ccn([C@@H](CC(=O)c2ccc(Br)cc2)C(=O)O)n1 4510702 KWSRUFVZDZMRIZ-LBPRGKRZSA-N 337.173 2.853 0 50 EFAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)[C@H]1CCCO1 4512077 KHOFZIRTILZMAP-MRXNPFEDSA-N 336.347 2.973 0 50 EFAA O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cccc2c1OCO2 120842260 KBKKGFOIDNSNHO-CYBMUJFWSA-N 342.370 2.953 0 50 EFAA CCN(CCN1CCCCCC1)C(=O)c1cccc(-n2cnnc2)c1 55283163 RXBQQGIXANFGLI-UHFFFAOYSA-N 341.459 2.605 0 50 EFAA Cc1nc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(N(C)C)n1 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344.386 2.771 0 50 EFAA COc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(F)c1F 215242137 PCILFQRKRLTCMV-GXTWGEPZSA-N 338.398 2.968 0 50 EFAA COCCn1ccnc1CN(C)Cc1nc2ccc(Cl)cc2[nH]1 215525451 VGTYRPVAULBRBZ-UHFFFAOYSA-N 333.823 2.691 0 50 EFAA O=C(O)COc1ccccc1CN1CCC(CCn2cccn2)CC1 215938933 NRCLENLGCFUPOY-UHFFFAOYSA-N 343.427 2.649 0 50 EFAA C[C@H](Nc1ncnc2c1CN(C)CC2)c1ccccc1-n1cccn1 371948180 OEPRPXUWIKZSHR-AWEZNQCLSA-N 334.427 2.823 0 50 EFAA CCc1nsc(N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n1 377159968 WFQLHISTORUQME-CYBMUJFWSA-N 345.472 2.753 0 50 EFAA CC(C)c1ccc(C(=O)N[C@H]2COC3(CCCCC3)C2)c(=O)n1C 426667604 PMOLGCAXBABQKP-CQSZACIVSA-N 332.444 2.730 0 50 EFAA Cc1scc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1C 180434595 HEJACUHJIBJWQF-HNNXBMFYSA-N 333.457 2.684 0 50 EFAA O=C(CCn1cc(Cl)cn1)N1CCCC[C@H]1CCN1CCCC1 91486928 IEYTXDYKUIITKA-INIZCTEOSA-N 338.883 2.794 0 50 EFAA CC(C)[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1N(C)C 95521413 CEUVPAANNVYZFB-VQTJNVASSA-N 326.488 2.949 0 50 EFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)Cc2cscn2)C1 96141215 AGPYFDIYFHXPHH-HNNXBMFYSA-N 329.469 2.632 0 50 EFAA CN(Cc1ccc2ncccc2c1)C(=O)NCC[C@@H]1CCCN1C 426506657 LYTHZBVSJWVXJK-KRWDZBQOSA-N 326.444 2.861 0 50 EFAA Cc1[nH]ccc1C(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 92078469 TWAGZGPPAMECRC-LJQANCHMSA-N 329.444 2.720 0 50 EFAA COc1cccc(OC2CN(C(=O)[C@H](O)c3ccc(Cl)cc3)C2)c1 95372137 JZQZYPWSTLZLAS-QGZVFWFLSA-N 347.798 2.672 0 50 EFAA Cc1nc(CN2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 91859635 LMPSXCRFQHTOEW-SFHVURJKSA-N 328.416 2.687 0 50 EFAA O=C1C[C@H](CNc2nccc(-c3ccccn3)n2)CN1C1CCCC1 96153672 BRESGWLCLPKKTD-CQSZACIVSA-N 337.427 2.742 0 50 EFAA Cc1ccc(-c2cc(C(=O)N[C@H](C)Cc3cnccn3)[nH]n2)s1 92028628 FSJDGUSARVOWPX-SNVBAGLBSA-N 327.413 2.598 0 50 EFAA Cn1ccnc1[C@H]1N(C(=O)NCc2noc3c2CCCC3)CC1(C)C 296644636 ADTWGOHGMZVVJJ-OAHLLOKOSA-N 343.431 2.580 0 50 EFAA COc1ccc(NC(=O)CCN(C)C[C@@H]2CCCCO2)c(OC)c1 244707793 KHRNUTCOGREZHO-HNNXBMFYSA-N 336.432 2.533 0 50 EFAA O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244742225 OEAGPSBJMQDMRN-IAMHBRQHSA-N 335.407 2.734 0 50 EFAA C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 268986325 PVGZDPAZJBEDKI-GWCFXTLKSA-N 345.317 2.511 0 50 EFAA CSCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)o1 299763216 ZAYSDNPPLXKMMX-UHFFFAOYSA-N 336.457 2.617 0 50 EFAA CC(C)(O)Cn1nc(-c2cccc(F)c2)nc1CCCc1cn[nH]c1 826621363 OELNJJAJANBHGK-UHFFFAOYSA-N 343.406 2.754 0 50 EFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2conc2C2CC2)C3)o1 952851019 BVJWVZBZSDHVCM-SGTLLEGYSA-N 342.399 2.691 0 50 EFAA OC[C@@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1 1162576435 PDLVDQSMCPWOFM-MRXNPFEDSA-N 331.379 2.961 0 50 EFAA COc1cccc2c1C[C@H](NC(=O)c1ccc(C)c(C(=O)O)c1)C2 1875270785 ACSGMYIXBDPCLK-CQSZACIVSA-N 325.364 2.599 0 50 EFAA CCC[C@@H](CCc1ccccc1)C(=O)N[C@@H](C)CS(C)(=O)=O 1875290004 FIRDDJNVOSEKQH-HOCLYGCPSA-N 325.474 2.585 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC4(CC3)CC4(F)F)n[nH]c21 1875294444 SDDRWPTYTDCFJA-ZJUUUORDSA-N 325.359 2.693 0 50 EFAA O=C(N[C@@H](CO)Cc1cccc(F)c1)c1nsc2ccccc12 1875309287 DULJLBJHHKGBPC-CYBMUJFWSA-N 330.384 2.769 0 50 EFAA Cc1cc([C@@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)on1 1875300977 YMWDENAYCKRUOC-OAHLLOKOSA-N 328.416 2.966 0 50 EFAA CC[C@H](CCCO)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1 1875360490 BGSBAMZBBQABCO-DJIMGWMZSA-N 349.475 2.542 0 50 EFAA CC(C)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCCN(C)CC1 1875335574 VANLHSUPRFREBU-WOJBJXKFSA-N 343.515 2.555 0 50 EFAA C[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCN(c3cc(O)ncn3)C2)[C@@H]1C 1875356852 WBVSRVLOBCZBPU-KBXIAJHMSA-N 333.432 2.767 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@H](F)C[C@H]2C(F)(F)F)cc1 1875373984 WZKITEFUTYWZFR-YPMHNXCESA-N 344.308 2.950 0 50 EFAA COc1ccc(NC(=O)c2cc(Cl)cn2C)cc1C(=O)N(C)C 952991758 SFSBDHSCUZOXLX-UHFFFAOYSA-N 335.791 2.641 0 50 EFAA Cc1cc(NCc2ccc(S(N)(=O)=O)cc2C)nc(C2CCC2)n1 893536389 VCFVDXXQVTVQND-UHFFFAOYSA-N 346.456 2.620 0 50 EFAA Cc1cc(CCC(=O)N2CCc3c(cnn3-c3ccccc3)C2)no1 1342797481 WQSJTLOSKGORSG-UHFFFAOYSA-N 336.395 2.686 0 50 EFAA O=C(N[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O)c1ccccc1 1565528648 ZWUZDQFQTCIMPD-PMACEKPBSA-N 349.434 2.533 0 50 EFAA COc1ccccc1CN1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565528262 HQWHNUCUIUZSOV-SJORKVTESA-N 341.407 2.774 0 50 EFAA C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2F)CC12CCC2 271725360 YGOWMYIIYJIYBW-CQSZACIVSA-N 347.434 2.777 0 50 EFAA Cc1ocnc1C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275744359 QJPPOYLTSVMAES-CQSZACIVSA-N 331.441 2.829 0 50 EFAA CCCc1nc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)no1 275936914 KZWBIFLPXCTPGO-HNNXBMFYSA-N 329.448 2.972 0 50 EFAA C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1ccc(Oc2ccccc2)c(F)c1 277438597 GTDVKAHSILWMRG-RVSPLBMKSA-N 344.386 2.518 0 50 EFAA COCCNCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 170677990 RYGSWWOZQRSERW-UHFFFAOYSA-N 336.338 2.932 0 50 EFAA C[C@H]1CN(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C[C@@H](C)O1 170600350 POAYPBUCCDGHLD-ZNMIVQPWSA-N 338.473 2.958 0 50 EFAA COc1ccc(C(=O)N[C@@H](C(=O)N(C)C2CCCC2)C(C)C)cc1 170610580 FAWTZJAUWSXTRW-QGZVFWFLSA-N 332.444 2.851 0 50 EFAA Cn1nccc1CN1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1076036870 GHFOBXXDCBNBMT-MBOZVWFJSA-N 339.439 2.891 0 50 EFAA C[C@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CO1 225485190 WLEAYANUPHQIOY-JQWIXIFHSA-N 330.409 2.878 0 50 EFAA CN1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccccc1 225599558 JBEYUGZIMHFNJV-ROUUACIJSA-N 330.453 2.947 0 50 EFAA COCCn1ccc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)n1 189937437 GULMOQCEBHZPTA-DYVFJYSZSA-N 331.391 2.892 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc(O)n1 190749654 QTDOIMPXYKHGJY-INIZCTEOSA-N 328.368 2.541 0 50 EFAA CCn1cc([C@@H]2CN(C(=O)N[C@H](C)Cc3cccs3)CCO2)cn1 191040018 IDTZVRCGNPFNAN-CJNGLKHVSA-N 348.472 2.679 0 50 EFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 191595556 VRSZKRACABTULO-SFHVURJKSA-N 339.391 2.859 0 50 EFAA C[C@@H]1CN(C2CC2)C[C@@H]1N=c1nc(-c2cc(F)cc(F)c2)[nH]s1 645192016 FCKJINFIZINKDM-OTYXRUKQSA-N 336.411 2.800 0 50 EFAA Cc1cc(F)ccc1C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1 648576774 LERHJZJOZNQZRE-INIZCTEOSA-N 340.398 2.913 0 50 EFAA NC(=O)[C@H]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2Cl)C1 194346101 LYJNSDHYMRIQTG-QWRGUYRKSA-N 329.227 2.696 0 50 EFAA C[C@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)o1 194704536 CRXHYHFZSSORMC-QBTMVHKWSA-N 336.391 2.859 0 50 EFAA Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCC12CCOCC2 658268872 LBUMRJOGELRVLD-RYQLBKOJSA-N 333.476 2.827 0 50 EFAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCO[C@](C)(C(F)F)C1 660750315 BQEUMJFDGXLEKQ-QFYYESIMSA-N 346.349 2.961 0 50 EFAA Oc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c2ncccc2n1 663760933 NADQZFOTHIEROU-GFCCVEGCSA-N 336.399 2.646 0 50 EFAA O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1ccccc1F 665218796 BGFLHQMAODKQJM-KRWDZBQOSA-N 341.386 2.599 0 50 EFAA NC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n[nH]1 676105678 ACVVLADTEBDQHL-NXEZZACHSA-N 339.182 2.558 0 50 EFAA O=C(O)[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 797736559 XCVAKDOKZZGXMK-WKEGUHRASA-N 338.232 2.873 0 50 EFAA CC(C)(C)n1ncc2c(O)nc(N3CC[C@H](c4ccccn4)C3)nc21 798416298 NHFZSLSEQMOHPY-LBPRGKRZSA-N 338.415 2.676 0 50 EFAA CO[C@H](CNC1CCN(C(=O)c2cccnc2)CC1)c1cccs1 1506406385 JTXJWPDFUPCWNV-MRXNPFEDSA-N 345.468 2.725 0 50 EFAA CCCc1cnc(C)nc1NCCS(=O)(=O)c1ccc(F)cc1 1704328341 MHMYYJUDPCHOEQ-UHFFFAOYSA-N 337.420 2.762 0 50 EFAA COc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C)cc2)cc1 5010534 OQYALLXVVHQUHO-UHFFFAOYSA-N 333.409 2.557 0 50 EFAA COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cc1 12057950 BSZLRWWYDWWNNN-MRXNPFEDSA-N 344.455 2.535 0 50 EFAA O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 12091935 JXAYJWRGUDQPKN-CQSZACIVSA-N 329.425 2.713 0 50 EFAA O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCO1 15061764 GOUFDWOSKUTJBW-UHFFFAOYSA-N 326.711 2.824 0 50 EFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(Cl)cc4)[C@@H]2CC(=O)N13 1857741374 PINIZDXUBSRKLP-DAYGRLMNSA-N 348.830 2.538 0 50 EFAA CCC[C@@]1(CO)CN(c2ccc3cccc(OC)c3n2)CC[C@H]1O 1875247246 HLIKNVYPZJIXGC-APWZRJJASA-N 330.428 2.593 0 50 EFAA COc1ccccc1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225540663 VRRYAKBAGLTYLR-DLBZAZTESA-N 329.371 2.711 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cnn1 329881239 OGBSEJXQFFMQEG-OAHLLOKOSA-N 348.410 2.590 0 50 EFAA CCO[C@H]1C[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C12CCC2 332928583 NYXHGALTUCFKBA-GJZGRUSLSA-N 332.448 2.646 0 50 EFAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 237971995 MGMKHMVCVBWAKN-BZUAXINKSA-N 330.428 2.639 0 50 EFAA COC[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(Cl)cc1 240412879 FOMPVXQJHNDITQ-NVXWUHKLSA-N 340.851 2.974 0 50 EFAA O=C([C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1C[C@@H]2CCC[C@H]2C1 245338964 PSBKWPUJEATOOE-MKBNYLNASA-N 334.366 2.576 0 50 EFAA Cc1nc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1Br 349249998 XCOSRRKQBFLGKY-YUTCNCBUSA-N 341.249 2.519 0 50 EFAA COc1ccc(C[C@H](C)CNC(=O)c2cn(C(C)(C)C)nn2)cc1 252510524 ZMTGMJRPERAYGD-ZDUSSCGKSA-N 330.432 2.650 0 50 EFAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ncn(C)n1 252503909 VHEYRJMDKZULKI-GFCCVEGCSA-N 340.349 2.719 0 50 EFAA COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1nnc2n1CCOC2 253417440 OEEBTQPBLFASNZ-GOEBONIOSA-N 342.443 2.790 0 50 EFAA C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H](c2nccn2C)C1 363444530 TYCDOYUNGMSPIU-HIFRSBDPSA-N 330.407 2.689 0 50 EFAA COc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1F 373514277 SWYRNGZUHHWGBH-IBGZPJMESA-N 326.371 2.930 0 50 EFAA COc1cc(OC)cc(OCCNCc2cccc(C(=O)O)c2)c1 263436597 UVGOMUMBHJZMPG-UHFFFAOYSA-N 331.368 2.571 0 50 EFAA CN(C)C(=O)O[C@@H]1CCN(c2nc(C(F)F)nc3ccccc23)C1 497164111 IMKSLUSYVZIXHW-SNVBAGLBSA-N 336.342 2.844 0 50 EFAA O=C([C@H]1CCc2cn[nH]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 266258867 LZDQMLBGXZUVHN-NSHDSACASA-N 338.386 2.720 0 50 EFAA Cc1noc(Cc2ccc(NCC(=O)N3CCC(C)CC3)cc2)n1 901449924 VMOSRARGFVREFT-UHFFFAOYSA-N 328.416 2.639 0 50 EFAA O=S1(=O)CC[C@@H](c2noc(-c3ccc(C(F)F)c(F)c3)n2)C1 903981444 JMQIKUVUSMNQGK-MRVPVSSYSA-N 332.303 2.715 0 50 EFAA CN(CC(F)(F)F)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 930537428 MXYCYJLAOWVPLA-UHFFFAOYSA-N 340.227 2.621 0 50 EFAA Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1cccc(C(F)(F)F)n1 931774528 KPIVYEKTXUTQAD-SECBINFHSA-N 326.322 2.562 0 50 EFAA 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CN(C)CCN(Cc1cnc[nH]1)C(=O)CC(C)(C)c1ccccc1 1704313875 MEXMSWMTENVJEJ-UHFFFAOYSA-N 328.460 2.668 0 50 EFAA CN(C(=O)CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704300042 XRGJBCXPLMLKBH-IJEWVQPXSA-N 334.847 2.646 0 50 EFAA Cc1ccsc1[C@H]1CCN(C(=O)CCc2cccnc2)C[C@@H]1O 210422687 XHHAEXYGTODIRA-HOTGVXAUSA-N 330.453 2.761 0 50 EFAA C[C@]1(c2ccccc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 13470772 OBGAHUXKCOFNDS-RHSMWYFYSA-N 340.477 2.728 0 50 EFAA CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 15067453 SDIUTPMCXYVBOY-HNNXBMFYSA-N 343.471 2.664 0 50 EFAA Cc1cccc(N2CCC(N3C[C@@H]4CCOC[C@]4(CO)C3)CC2)c1C 1857669217 CPJNHLKVCFBIQZ-GHTZIAJQSA-N 344.499 2.603 0 50 EFAA OCC1(Cn2ccnc2-c2coc(-c3ccccc3)n2)CCOCC1 1857700587 XAIGUNJIUDEZKF-UHFFFAOYSA-N 339.395 2.994 0 50 EFAA CCN1CCC[C@@H](CN(C)C(=O)c2cc[nH]c2C)[C@@H]1c1cnn(C)c1 328622938 IUQMVWPRMLCFBP-MAUKXSAKSA-N 343.475 2.602 0 50 EFAA CN(C)C(=O)[C@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 334132097 VDGVCZNQTSYOPJ-IHRRRGAJSA-N 349.862 2.706 0 50 EFAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@@H]1C(=O)O 237729135 WKOUOFRKXSLNFZ-CQSZACIVSA-N 333.775 2.523 0 50 EFAA CC(C)Cc1nc(C(=O)NCc2nnc(C3CCC3)n2C)cs1 129353100 ACROKARLYLKXRX-UHFFFAOYSA-N 333.461 2.668 0 50 EFAA COc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348260714 ODTYXWWCQJJXFO-CVEARBPZSA-N 345.370 2.548 0 50 EFAA CCc1ccc(Br)cc1C(=O)N1CCCn2nncc2C1 829601556 MMBDJCBFQVJPTM-UHFFFAOYSA-N 349.232 2.649 0 50 EFAA CCc1onc(C)c1CN1CCn2c(Cc3ccccc3)nnc2C1 929707372 LCDWBWAPNPGWRV-UHFFFAOYSA-N 337.427 2.744 0 50 EFAA Cc1cc(C(=O)N[C@H](C)c2cccc(O)c2)cc(C)c1OCC(=O)O 832862718 GZDJKQKWTHVHLS-CYBMUJFWSA-N 343.379 2.963 0 50 EFAA CN(C(=O)c1cc(Br)cnc1C1CC1)c1nncs1 935411248 MDRMYOFAVZKAFW-UHFFFAOYSA-N 339.218 2.850 0 50 EFAA C[C@H]1COCC[C@H]1CNC(=O)c1noc2c1CCc1ccccc1-2 935955743 SWHJTZJHORHTJI-JSGCOSHPSA-N 326.396 2.843 0 50 EFAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(c2ccc3ccccc3n2)CC1 2100557470 UJVVODKPLBHQNW-UHFFFAOYSA-N 347.422 2.627 0 50 EFAA Cc1ccccc1-n1cc(CN2CC[C@]3(C(=O)O)CCCC[C@H]23)nn1 2325780108 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Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc3c(c2)OCCN3C)c1 55099444 UUTAQQRQDHQMPF-OAHLLOKOSA-N 339.439 2.922 0 50 EFAA C[C@H]1CCN2C(=O)N(c3nc(-c4ccccc4)ns3)C(=O)[C@H]2C1 328595547 XYDLSLOFFZMHCI-CMPLNLGQSA-N 328.397 2.772 0 50 EFAA COC(=O)[C@H](OC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc(Cl)c1 247846264 PMSCSEUNQYYTNC-RRFJBIMHSA-N 348.786 2.635 0 50 EFAA CC[C@@H](c1ccccc1)c1nn2c(CN3CCOCC3)nnc2s1 57524412 JREJPZCUBPTVLJ-AWEZNQCLSA-N 343.456 2.560 0 50 EFAA CC(C)c1noc(-c2ccc(NCCN3CCCOC3=O)nc2)n1 20534962 COBTZSRLADYBNM-UHFFFAOYSA-N 331.376 2.509 0 50 EFAA O=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CCN2CCCC[C@@H]12 229190852 ANWSRJPOZHJSRG-AEFFLSMTSA-N 340.427 2.768 0 50 EFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229415852 KHXNJHOEXKUWDJ-IEBWSBKVSA-N 338.455 2.780 0 50 EFAA O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)cn1 120113765 VSPLYLXXNYJNKT-QGZVFWFLSA-N 327.771 2.629 0 50 EFAA Cc1nnc([C@@H]2COCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 328609861 FZPQEJYSAUBGIV-INIZCTEOSA-N 340.383 2.690 0 50 EFAA O=C(c1coc(C2CCOCC2)n1)N1CCO[C@@H](c2ccccc2)C1 328733563 HWIBZVKGBUTWDT-QGZVFWFLSA-N 342.395 2.782 0 50 EFAA CCOc1ccc(CN2CCN(c3nccc4occc34)CC2)cn1 65507934 QPLWIJCMSTXATD-UHFFFAOYSA-N 338.411 2.944 0 50 EFAA Cn1cc(CN2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 20166471 YMMMZWYEPQOUOK-HXUWFJFHSA-N 339.487 2.549 0 50 EFAA CCc1nc(C)c(C(=O)NCCSc2nnc(C)s2)s1 65375116 UCYOCSMIFJXJPN-UHFFFAOYSA-N 328.488 2.696 0 50 EFAA C[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc2c1=O 24984789 YHHLBAYAPNYXKV-SNVBAGLBSA-N 343.770 2.543 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc2nccnc2c1 77541870 CKDQNMKPUQAAAC-SFHVURJKSA-N 346.434 2.759 0 50 EFAA COc1ccc(CN(C)Cc2cc(C)on2)cc1Cn1cccn1 215264708 GOKOJVYWPFOSPG-UHFFFAOYSA-N 326.400 2.868 0 50 EFAA O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1C[C@H]1c1ccccc1 333217780 VVRFSWMGNSZKOU-AVEIZBFRSA-N 347.480 2.810 0 50 EFAA CNC[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 237082487 JRRTVKJDMUJRCD-CYBMUJFWSA-N 332.835 2.597 0 50 EFAA CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc(C2CC2)on1 252539871 OPGIKDIQIYJLIP-UHFFFAOYSA-N 340.427 2.936 0 50 EFAA CCN(CC)CCn1c2c(c3ccccc31)CCS(=O)(=O)CCC2 71769138 GCTPNBPLBCQTKI-UHFFFAOYSA-N 348.512 2.887 0 50 EFAA C[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)C[C@H](C)N1 153963908 YYBPASJOFAEZKV-RYUDHWBXSA-N 330.350 2.727 0 50 EFAA CCn1nc2c(cc1=O)CN(C(=O)c1oc3ccccc3c1C)CC2 369398375 NGJVDZIKWRXPGT-UHFFFAOYSA-N 337.379 2.516 0 50 EFAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)c1ccccc1-n1cccn1 245760040 GMZTUCJZDNLHOR-JLJPHGGASA-N 328.416 2.536 0 50 EFAA O=C(NCc1nccn1C(F)F)N1CCOc2cccc(F)c2C1 374596249 WCEQVEGUQVMPLC-UHFFFAOYSA-N 340.305 2.522 0 50 EFAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(Cc2cccc(F)c2)C(=O)C1 77357832 JFWNNJSWGIDARQ-PVAVHDDUSA-N 342.414 2.599 0 50 EFAA CCC(=CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)CC 496512876 MWVDXCAYOUBYHI-UHFFFAOYSA-N 340.464 2.611 0 50 EFAA CN1CCC2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)C1 72433193 KQYVYSIAAVGGKD-UHFFFAOYSA-N 344.499 2.948 0 50 EFAA Cc1csc(-c2cccc(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c2)n1 176810052 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O=C(c1cccc2[nH]ncc12)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225539576 LJKUAFIINXVRRM-GUYCJALGSA-N 325.343 2.650 0 50 EFAA CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(c2ccncc2)=NO1 170611085 ALHIMNUSJRDDNS-SFHVURJKSA-N 339.395 2.678 0 50 EFAA CC[C@H](CN(CC)C(=O)c1ccc(C(N)=O)cn1)c1ccccc1 187421281 VMTPKXYOOVWJMP-CQSZACIVSA-N 325.412 2.836 0 50 EFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCCOC1 171686506 MYMPBGLBAMOLBK-AWEZNQCLSA-N 328.368 2.548 0 50 EFAA Cc1cc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc(C)c1O 190940062 VRIVHWKWPFDDHX-ZWKOTPCHSA-N 345.487 2.677 0 50 EFAA O=C(Nc1ccc2ncsc2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 192677922 KRBRPNNGJTVRMJ-QMMMGPOBSA-N 343.330 2.646 0 50 EFAA CC(C)(C)c1cccc(OCCNC(=O)N2CC(C(C)(C)O)C2)c1 195571541 OYICZQRVLATWAV-UHFFFAOYSA-N 334.460 2.775 0 50 EFAA CC1(C)C[C@@]1(C(=O)O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 663035163 VZFPQWNKJWWIOA-SFHVURJKSA-N 342.351 2.971 0 50 EFAA O=C(CNc1cccc(Cl)c1)N1CCC(c2ccncn2)CC1 665936908 JBYWNWURCIANAE-UHFFFAOYSA-N 330.819 2.948 0 50 EFAA 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O=C(NC1CC1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12585005 TVLGISNFTFDPAY-LBPRGKRZSA-N 340.345 2.723 0 50 EFAA CC[C@@H]1CCc2sc(C(=O)NCCCN3CCOCC3)cc2C1 13744356 OZABYSMMAXXOAW-CQSZACIVSA-N 336.501 2.715 0 50 EFAA Cc1ncnc(Nc2ccc(CCC(N)=O)cc2)c1Br 1857530137 OTRMEIHJKNQSSH-UHFFFAOYSA-N 335.205 2.709 0 50 EFAA Cc1cccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1C 1857733538 NSGPOWJJONBJFC-BZSNNMDCSA-N 341.455 2.564 0 50 EFAA O=C(O)[C@]1(CC2CC2)CN(Cc2cccc(Cl)c2F)CC[C@H]1O 1875245693 MGKQUXKIEANGRE-RHSMWYFYSA-N 341.810 2.917 0 50 EFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2=O)cc1 237940077 DYVILZCDFJJPBT-HNNXBMFYSA-N 344.411 2.673 0 50 EFAA Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(C)c1 337138462 FWIGCAULXBIEBF-IPMKNSEASA-N 331.456 2.624 0 50 EFAA CC1(C)CCC[C@H](CS(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)O1 901597313 MQANCGIQKUXOMQ-LLVKDONJSA-N 345.392 2.613 0 50 EFAA CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(C(N)=O)n1 904069070 HIKUVAQFYKTKRZ-SNVBAGLBSA-N 340.177 2.707 0 50 EFAA COc1cccc(CCNCc2c(Br)c(C)nn2C)c1 228728872 XXNZEOIZMDMLTL-UHFFFAOYSA-N 338.249 2.832 0 50 EFAA CN(Cc1ccccc1)CC1CCN(c2cnc(C(=O)O)cn2)CC1 263398976 IIXHTPLEMLWYCV-UHFFFAOYSA-N 340.427 2.523 0 50 EFAA COc1ccc(C[C@@H](CC(=O)O)C(=O)NCc2ccccc2)cc1 31889 QZTJIZBNHSMLFO-INIZCTEOSA-N 327.380 2.645 0 50 EFAA COc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 103608 SNYIUXQRMJPSDW-UHFFFAOYSA-N 339.439 2.846 0 50 EFAA COc1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2C)c1N 11690528 PYCMMWFUGXUZTA-UHFFFAOYSA-N 337.383 2.727 0 50 EFAA CC(F)(F)c1cccc(CN2C[C@H](CC(=O)O)OCC2(C)C)n1 2325788141 OGICBMXHJFOUJV-LBPRGKRZSA-N 328.359 2.647 0 50 EFAA Cc1sc2cc(C(=O)N3CC[C@H](OCC4CC4)C3)[nH]c2c1C(=O)O 2325788411 DCRBPJUMOTVLOG-NSHDSACASA-N 348.424 2.877 0 50 EFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1csc(-c2ccccc2Cl)n1 2325790560 VDQXPAAMSJINCO-NOZJJQNGSA-N 347.827 2.567 0 50 EFAA O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1CCc2ncnn2C1 131826675 SVWNSPVVSZTMIH-VIFPVBQESA-N 343.284 2.573 0 50 EFAA NC(=O)c1c(N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 125533 RCTHDOBYSCQGHK-UHFFFAOYSA-N 326.377 2.526 0 50 EFAA C[C@@H]1C[C@H](CCC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1 207962 VVGNCDLYLSQNQK-ZJUUUORDSA-N 340.832 2.885 0 50 EFAA CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(O)cc2)NC(=O)N1 234711 NQNYNEJQPQOXIM-QGZVFWFLSA-N 337.379 2.967 0 50 EFAA Cc1cccc(OCCNC(=O)c2cncc(Br)c2)c1 2190547 BKKRVITVWBFKFM-UHFFFAOYSA-N 335.201 2.961 0 50 EFAA CN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 2649231 PPTXHJHOWCEROL-UHFFFAOYSA-N 345.877 2.603 0 50 EFAA CCN(CC)C(=O)c1ccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)cc1 2356160189 HMEYYOAGVVPFIU-UHFFFAOYSA-N 325.372 2.626 0 50 EFAA O=C(NCCc1cnc[nH]1)c1cccc(-c2nccc3ncccc23)c1 2356168722 CMLAZJHBENDBFB-UHFFFAOYSA-N 343.390 2.992 0 50 EFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 6699284 WJKCRMPGICZWPM-UHFFFAOYSA-N 325.368 2.769 0 50 EFAA COc1ccc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 7490556 DOXJBVAUDVXHDO-UHFFFAOYSA-N 338.407 2.681 0 50 EFAA CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10055000 UATRLGPXEBKAMQ-UHFFFAOYSA-N 338.454 2.935 0 50 EFAA COC(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 8395118 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XTTRTVHGZVFTLO-UHFFFAOYSA-N 342.786 2.831 0 50 EFAA CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cn2)C1 122259317 UTKZNALIAVYBKC-LLVKDONJSA-N 334.811 2.758 0 50 EFAA CN(C)S(=O)(=O)Cc1noc(C2CCC(c3ccccc3)CC2)n1 328593883 VRZMZWYXHWOOHP-UHFFFAOYSA-N 349.456 2.902 0 50 EFAA Cc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)cc1 22913604 WXVRNAPILHWBAN-NRFANRHFSA-N 339.483 2.767 0 50 EFAA Cc1ccc2cc(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)ccc2n1 456203791 WHVQCUNYAGGRJF-MRXNPFEDSA-N 346.452 2.583 0 50 EFAA CCCN(Cc1nccn1C)C(=O)c1cccc([C@H]2CCNC2)c1 72127384 FPKAVYRZUGWLQM-KRWDZBQOSA-N 326.444 2.549 0 50 EFAA CC(C)c1nc(N2CCC(Oc3ccc(F)cc3)(C(=O)O)CC2)no1 72457428 OBKSNJAAYBWMKX-UHFFFAOYSA-N 349.362 2.835 0 50 EFAA Cc1nc(C[C@@H]2CCCN(C(=O)C(C)(C)C3CCOCC3)C2)no1 253429944 IZOXUOQOUZWPRL-AWEZNQCLSA-N 335.448 2.612 0 50 EFAA Cc1n[nH]cc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 253418723 NFPXDKKIGMYRHH-CYBMUJFWSA-N 340.349 2.985 0 50 EFAA OC[C@H]1CCCN1c1cc(NCC2(C(F)(F)F)CCC2)ncn1 343925135 AJYBSPBVGLHLDL-LLVKDONJSA-N 330.354 2.582 0 50 EFAA COc1ccccc1N1CC[C@@H](NC(=O)NCc2ccccc2F)C1 150922280 NZAAYGHDFVTXRO-OAHLLOKOSA-N 343.402 2.912 0 50 EFAA CCc1nc(N)sc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 77374942 HUPSJBDTFGKSLP-CYBMUJFWSA-N 346.456 2.504 0 50 EFAA Cc1cnn(C2CCN(Cc3nccn3CC(F)(F)F)CC2)c1 363003000 CFJGCXZHPLTYHL-UHFFFAOYSA-N 327.354 2.787 0 50 EFAA O=C(NCc1ccccc1)N1CCC(CO)(C[C@H]2CCCCO2)CC1 15064181 FBKABOFQBZKFPY-GOSISDBHSA-N 346.471 2.930 0 50 EFAA O=C1CCCN1C[C@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1 372007262 SWJOXAGFCPIDRI-MRXNPFEDSA-N 344.459 2.615 0 50 EFAA O=C1CO[C@H]2CCN(Cc3ccc(-c4ccsc4)cc3)C[C@H]2N1 374015807 YCWXBPOEFSFMPL-SJORKVTESA-N 328.437 2.504 0 50 EFAA COc1ccccc1C1(CNC(=O)c2ccc(C(=O)O)s2)CC1 262586733 GVYAEXDJQZFRKH-UHFFFAOYSA-N 331.393 2.917 0 50 EFAA O=C(O)C1(n2cccn2)CCN(Cc2cc3ccccc3o2)CC1 72447221 HOQGVPXPWFAWFH-UHFFFAOYSA-N 325.368 2.705 0 50 EFAA CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(Cl)c2)CC1 72437256 PFRDVCSQPACMGP-UHFFFAOYSA-N 340.807 2.653 0 50 EFAA Cc1cnc(CNC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cn1 215260271 OUVVBKIQEDGJAC-UHFFFAOYSA-N 348.406 2.649 0 50 EFAA CN(C)[C@H]1CCCN(Cc2cccc(OCCCn3ccnc3)c2)C1 216149855 QEWVCOAXECJTTK-IBGZPJMESA-N 342.487 2.878 0 50 EFAA C[C@@H]1COc2ccccc2CN1C(=O)NCc1nccc(C(F)F)n1 288864481 PVKHVQKTMOHALN-LLVKDONJSA-N 348.353 2.907 0 50 EFAA Cc1ccc(N(C)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)nc1 289073601 ZFAGYJOAVNDDPY-INIZCTEOSA-N 346.475 2.821 0 50 EFAA COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cn(C)cn1 179351282 CPZNUOWVCWIGBQ-UHFFFAOYSA-N 325.771 2.501 0 50 EFAA COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(C)cc1C(=O)O 20614467 NZYSTPJAHJSRIT-UHFFFAOYSA-N 331.372 2.677 0 50 EFAA Cc1ccc(OCC(=O)N2CCC[C@@H](c3nccn3C)C2)cc1C 82108498 MWTHOKGGGUVGAA-MRXNPFEDSA-N 327.428 2.822 0 50 EFAA O=C(c1ccc2nccnc2c1)N1CCC(OCc2cccnc2)CC1 82107106 JWTGKZXKNXTULK-UHFFFAOYSA-N 348.406 2.846 0 50 EFAA Nc1cc(-c2cccc(Cl)c2Cl)nc(N2CCOCC2)n1 426431023 JFPAOQVYSTVPNU-UHFFFAOYSA-N 325.199 2.869 0 50 EFAA Cn1cnnc1CCC(=O)NCC1(c2cccc(F)c2)CCCC1 426368301 LJWQHJGYDSIPLJ-UHFFFAOYSA-N 330.407 2.515 0 50 EFAA Cn1ncc(N2CCC[C@H]2C[C@H](O)c2cccs2)c(Cl)c1=O 267529857 VAUKFUXAFXLCCW-JQWIXIFHSA-N 339.848 2.588 0 50 EFAA Cc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)n1 91321827 ORIMIPUAONPSFV-VQIMIIECSA-N 336.439 2.522 0 50 EFAA CCN(Cc1cnn(CC)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1 91908156 IPJBSTFWMRZGGC-MRXNPFEDSA-N 343.427 2.511 0 50 EFAA COc1ccccc1[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1C(=O)O 91289252 PBTKGPLXVIZEOG-UONOGXRCSA-N 345.399 2.502 0 50 EFAA CCCOc1ccc([C@H](C)NC(=O)NCC(=O)NC(C)(C)C)cc1 338262441 NYJVKQAJRUZNDS-ZDUSSCGKSA-N 335.448 2.750 0 50 EFAA CCn1ccnc1C1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 91677465 NJQIZHXHYOKMQI-UHFFFAOYSA-N 347.484 2.686 0 50 EFAA O=C(NCCc1ccncc1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 92062427 ZBYFQMCOGUOFIF-QGZVFWFLSA-N 343.471 2.702 0 50 EFAA O=C(CCn1c(CO)nc2ccccc21)NCc1ccc(Cl)s1 97394510 KYONGMYTFJPUQD-UHFFFAOYSA-N 349.843 2.950 0 50 EFAA CC1(C)C[C@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CCO1 91587296 KYLPRMDOEPCXPF-OAHLLOKOSA-N 348.487 2.585 0 50 EFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCC[C@H]1CCCO1 95517118 QEJIRHUDEKELPF-INIZCTEOSA-N 342.439 2.728 0 50 EFAA CC(=O)Nc1ccc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 91644570 LOVYHEQZJHNJNA-QRWLVFNGSA-N 346.471 2.645 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1COc2ccccc2C1 91625689 COZXTBRBMFEQCA-OAHLLOKOSA-N 339.439 2.888 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CCO1 268937677 CNMKUXBRMQGNRJ-OAHLLOKOSA-N 341.363 2.795 0 50 EFAA O=C(C[C@@H]1CCc2ccccc21)N1CCN(C2CCCC2)C(=O)C1 91416825 VJOIPJKGZDFWRA-INIZCTEOSA-N 326.440 2.720 0 50 EFAA CCCCOCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 91526244 IDNDVEFRXBAUFS-RTBURBONSA-N 330.472 2.926 0 50 EFAA CN(CCC(=O)Nc1ccsc1C(=O)O)C1CCSCC1 244673621 HSRSHRGVHWXARD-UHFFFAOYSA-N 328.459 2.602 0 50 EFAA C[C@@H]1CN(C(=O)NCCc2csc(C(C)(C)C)n2)[C@H](C)CO1 183416615 UJTZIDPANOGVAZ-VXGBXAGGSA-N 325.478 2.802 0 50 EFAA CCc1ocnc1C(=O)NCCc1csc(-c2ccncc2)n1 534579677 BRDUVKWWZKBCID-UHFFFAOYSA-N 328.397 2.728 0 50 EFAA COc1cccc(C(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)c1OCCCN 299794500 JZBPOQGMUSSPTM-CVEARBPZSA-N 344.455 2.851 0 50 EFAA CN1CCN([C@H]2CCN(C(=O)Nc3ccc4ccccc4c3)C2)CC1 299768146 GNGCFLFVIMEOJE-IBGZPJMESA-N 338.455 2.693 0 50 EFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCCCc1ccccc1)CC2 299774159 BMLCULUDRFJXTE-WSTZPKSXSA-N 331.456 2.930 0 50 EFAA CO[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 299789952 AEYLLGCDFCPPMF-LBPRGKRZSA-N 335.795 2.563 0 50 EFAA Cc1ccc([C@H](NC(=O)CCCn2cncn2)c2cccnc2)cc1C 827992149 AWJLGWHKFGJOCU-FQEVSTJZSA-N 349.438 2.976 0 50 EFAA Cc1ccc(C(=O)N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(O)n1 825166305 VLNJRAHMJNGRIE-LUIVIUGWSA-N 330.428 2.545 0 50 EFAA CCOc1ccc(CCCNC(=O)N2CCN3CCC[C@@H]3C2)cc1 584901120 OTLUBNNUHPUAGD-QGZVFWFLSA-N 331.460 2.508 0 50 EFAA COc1ccccc1-c1noc(C[C@H](O)COCc2ccccc2)n1 952847931 YGRVQVKYVSPNOV-HNNXBMFYSA-N 340.379 2.865 0 50 EFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3F)CC[C@@H]2C)n(C)n1 952995738 XGSKJAZZZDDLGF-ZDUSSCGKSA-N 348.397 2.748 0 50 EFAA Cc1cc(S(=O)(=O)Nc2cc3c(C)nn(C)c3nc2C)c(C)o1 1875280173 YKLKGZIZAFFHQT-UHFFFAOYSA-N 334.401 2.596 0 50 EFAA O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)OCC1CCCCC1 1875274922 WNXRCEALHVRQPB-JKSUJKDBSA-N 336.436 2.561 0 50 EFAA COC(=O)[C@H](C)[C@@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1875370405 NRMAWSAFLWFPFW-SCZZXKLOSA-N 331.199 2.802 0 50 EFAA COc1c(C)cccc1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314489 BBQCEGWFTOOGTO-OLZOCXBDSA-N 343.427 2.689 0 50 EFAA CC1([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 1875310039 AOGQTZINNCLXAK-IAGOWNOFSA-N 341.455 2.725 0 50 EFAA CC(C)N1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 885939168 UHXQEDXQRYIGIA-HNNXBMFYSA-N 330.881 2.632 0 50 EFAA Cc1ccc2nc(C(=O)NC[C@@H]3CCN3C3CCOCC3)ccc2c1 885885807 LRAKLKJZXFSYHB-KRWDZBQOSA-N 339.439 2.526 0 50 EFAA Cc1ccnc2c1CCN2C(=O)CCc1nc(C2CCCC2)no1 888077583 KBWQULQPANNWLL-UHFFFAOYSA-N 326.400 2.953 0 50 EFAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@H]1c1ccc(N)nn1 888077228 VCTYEZYNSTVFNE-AWEZNQCLSA-N 346.818 2.627 0 50 EFAA CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888075969 IQHPITMRSQPUBV-ZBFHGGJFSA-N 335.354 2.814 0 50 EFAA Cc1nnc(-c2ccccc2C(=O)N[C@H](CCO)C2CCCC2)o1 889108541 DCALHENFOUKEKV-MRXNPFEDSA-N 329.400 2.716 0 50 EFAA CC(C)[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1nc[nH]n1 1775998391 BIZICLQMRJROAY-DZGCQCFKSA-N 347.488 2.559 0 50 EFAA Cc1cccc(-n2nnnc2SC[C@H]2CCCc3nccn32)c1 1775989939 HFKVCITVVYAADE-CQSZACIVSA-N 326.429 2.837 0 50 EFAA CCn1nc(C)c(CNC(=O)N2CCC[C@H]2c2cccc(OC)c2)n1 1414685812 HPJMROCOVQBRBC-KRWDZBQOSA-N 343.431 2.662 0 50 EFAA COC[C@H]1[C@@H](NC(=O)c2cc3ccc(Cl)cc3n2C)[C@H]2CCO[C@H]21 1565509774 YKERPLMBRJOWIO-OSRSDYAFSA-N 348.830 2.611 0 50 EFAA Cc1cc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N3CCCC3)ccc2o1 1565509726 UJTDUFZSLKXLLI-NQYYFHDYSA-N 340.423 2.723 0 50 EFAA O=C(Cc1nc(C2CCCC2)cs1)NCCC(=O)N1CCCCC1 1362597475 BXMWBCSZGIORCL-UHFFFAOYSA-N 349.500 2.862 0 50 EFAA CCOC[C@@H](NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C 170608892 VDHMHHXORPABKL-MRXNPFEDSA-N 330.432 2.675 0 50 EFAA Oc1cc(F)cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1 186167736 PQLBZLJJFJGJMO-CQSZACIVSA-N 326.375 2.954 0 50 EFAA CNC(=O)CCN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 171897652 KJMYUBBJYXEPNS-VIFPVBQESA-N 332.231 2.832 0 50 EFAA Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 188173814 BOIQWBIZGYDEAI-LJQANCHMSA-N 344.480 2.766 0 50 EFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)cn3)[C@@H]2C1 407994083 ZYAYZRQOXHIYDM-MRVWCRGKSA-N 344.333 2.509 0 50 EFAA Cc1ccccc1-n1nc(C(=O)N(C)[C@@H](C)C(C)(C)O)c2c1CCC2 408520333 IDBFBHUMQFCECV-AWEZNQCLSA-N 341.455 2.901 0 50 EFAA CCCC(O)(CCC)CC(=O)NCc1ccc2c(=O)cc[nH]c2c1 408515253 RKPUICNPETXWBN-UHFFFAOYSA-N 330.428 2.866 0 50 EFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1csc2ccccc12 408520694 SYAJGGCODRGHET-LBPRGKRZSA-N 337.466 2.941 0 50 EFAA Cc1nsc(N2CCCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 110631351 XNBWDTBBJMZSIM-KKUMJFAQSA-N 334.489 2.712 0 50 EFAA OC[C@]1(NCc2cccc3c2OC(F)(F)O3)CCOc2ccccc21 414458596 WBZCYZKRDIYYKD-QGZVFWFLSA-N 349.333 2.768 0 50 EFAA O=S1(=O)CCC[C@H](Cn2cc(-c3cccc4c3CCCC4)nn2)C1 641104522 ULOFVTODKIITBO-CQSZACIVSA-N 345.468 2.649 0 50 EFAA COc1ncc(/C=C/c2nc(C3(c4ccncc4)CCC3)no2)cn1 656035328 ZXJMYAMQEBIXDK-ONEGZZNKSA-N 335.367 2.904 0 50 EFAA CC(C)(c1nc(C2(c3ccncc3)CCC2)no1)S(=O)(=O)C1CC1 656034736 LFSYICXYKLBUNB-UHFFFAOYSA-N 347.440 2.747 0 50 EFAA CCc1ccc(-c2noc([C@@H]3CNC[C@H]3c3cnn(C)c3C)n2)cc1 656559805 YUDRCWVXYQMVOU-DLBZAZTESA-N 337.427 2.812 0 50 EFAA Cc1cc(NC(=O)N2CCC[C@H](CC(=O)O)C2)nn1-c1ccccc1 669501952 IAOMCWZLEUIZLS-CQSZACIVSA-N 342.399 2.899 0 50 EFAA Cc1cc(C)n(C[C@H](C)N2CCN(Cc3ccc(F)cc3)CC2)n1 1506406702 MYTQVBHGQSZFMX-KRWDZBQOSA-N 330.451 2.845 0 50 EFAA Cc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cnc2ccnn12 1529093924 BIMWTMWZWXMEAD-UHFFFAOYSA-N 332.367 2.535 0 50 EFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(CCC(F)(F)F)C1)CC2 1704339130 DWXKKULIPNLVPG-OAHLLOKOSA-N 328.382 2.775 0 50 EFAA CCOc1ccc(-c2nccn2-c2cccc3c2nnn3C)cc1CO 1775979697 LLSOGBQOOLKQQD-UHFFFAOYSA-N 349.394 2.712 0 50 EFAA CC(C)CCn1c(CN2CCC([C@@H](O)CO)CC2)nc2ccccc21 1772707773 YNTIBVUTBGRIOJ-IBGZPJMESA-N 345.487 2.648 0 50 EFAA Cc1ccc(CN2CCCN(C(=O)c3cc(C)nc(C)c3)CC2)nc1 1775978608 AQLAXIWAXNSECE-UHFFFAOYSA-N 338.455 2.750 0 50 EFAA COc1cc(-n2nnc(C(=O)Nc3ccccc3)c2N)ccc1Cl 11690519 GBJWKDQNGXMBSQ-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA Cc1cccc(CN2CCC[C@](O)(CNCc3ccc(C)o3)C2=O)c1 11717327 IHSSAIPSDIDCLK-FQEVSTJZSA-N 342.439 2.540 0 50 EFAA CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@H]1C(=O)O 14632487 MAFMHYCSEUVBCN-STQMWFEESA-N 325.336 2.667 0 50 EFAA CCOC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 19634117 FWOVBVWZSPCVNJ-UHFFFAOYSA-N 327.222 2.723 0 50 EFAA CC[C@]12COC(=O)N1CCN(c1nnc(-c3ccccc3)s1)C2 1857687756 CYJXCWPQGHACRM-INIZCTEOSA-N 330.413 2.626 0 50 EFAA Cn1ccnc1-c1nccn1C12C[C@H]3C[C@@H](CC(n4cncn4)(C3)C1)C2 1857698272 JMTQWXWOTSKGAB-QAQJPARQSA-N 349.442 2.580 0 50 EFAA O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCOCC1 89237 VCOBTJLIULPNRF-UHFFFAOYSA-N 349.481 2.521 0 50 EFAA C[C@H](CN[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 225583196 STQGWJWPAJFOHU-HZPDHXFCSA-N 349.438 2.988 0 50 EFAA COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cc1C(=O)O 237324001 HTFZBHWTNGUGHB-CABCVRRESA-N 343.354 2.952 0 50 EFAA Cc1oc(CN(C)C(=O)c2cccc(-n3cccn3)c2)cc1C(=O)O 362746875 KDQPSQGLFQGWOY-UHFFFAOYSA-N 339.351 2.744 0 50 EFAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1csc2ccc(Cl)cc12 261622080 CHCHOWBKASGOBQ-ZETCQYMHSA-N 333.818 2.648 0 50 EFAA Cn1ccnc1[C@H]1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 371472345 YZVPXBYBWGFCHN-MRXNPFEDSA-N 326.375 2.947 0 50 EFAA CO[C@@]1(C)C[C@H](N(C)C(=O)CCc2ccccc2C(=O)O)C1(C)C 262051789 ALLCVPQEIJVSDL-KXBFYZLASA-N 333.428 2.979 0 50 EFAA C[C@@H]1CCCN(C[C@H](O)c2ccc(Br)cc2)[C@H]1CO 252512237 OJIMPFIRGYHUMJ-UGFHNGPFSA-N 328.250 2.575 0 50 EFAA Cc1cc(Br)ccc1S(=O)(=O)Nc1c[nH]nc1C 128936087 WAOOOEIPJPHXPG-UHFFFAOYSA-N 330.207 2.590 0 50 EFAA CC(C)(C)c1ccc(CN2C[C@H](CC(=O)O)OC3(CCC3)C2)cn1 2325788123 NKECXDFLXVMNED-HNNXBMFYSA-N 332.444 2.977 0 50 EFAA c1coc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 383148 NCXNRMAYYCXZDL-LBPRGKRZSA-N 326.337 2.958 0 50 EFAA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 476819 RVYKLUWAUOHVNV-UHFFFAOYSA-N 347.465 2.712 0 50 EFAA O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C1CCCCC1 488176 BKVNXLBMAGVVNG-SFHVURJKSA-N 337.423 2.596 0 50 EFAA biogenic OC[C@H](O)Cn1c(SCCOc2ccccc2)nc2ccccc21 4286249 WMTAJYANIFOQQE-CQSZACIVSA-N 344.436 2.561 0 50 EFAA CCCNC(=O)CCCc1nc(-c2ccc(OC)c(OCC)c2)no1 4840638 POFKTECNBUMHHM-UHFFFAOYSA-N 347.415 2.993 0 50 EFAA Cc1cc(=O)oc2cc(NC(=S)NCc3cc(C)n(C)n3)ccc12 4999172 YBLZDAIPDRFGQT-UHFFFAOYSA-N 342.424 2.630 0 50 EFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)CCc1ccc2c(c1)OCO2 55074098 SUNKMWBWBGWRJP-HNNXBMFYSA-N 345.395 2.741 0 50 EFAA O=C1N(CCOc2ccccc2)c2ccc(Cl)cc2C12OCCO2 8019931 RVUCUTOMIDKKJH-UHFFFAOYSA-N 345.782 2.965 0 50 EFAA CC(C)N1C(=O)C2(OCCCO2)c2cc(Br)ccc21 8046625 HOCGZSBPIQDZRD-UHFFFAOYSA-N 326.190 2.794 0 50 EFAA COc1ccc(CN2CCN(CC3CC3)C[C@H]2CCO)c(C)c1C 104393214 CCYGGZAWASCWBM-LJQANCHMSA-N 332.488 2.591 0 50 EFAA CCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 9224769 FDXVQAAJZTWGTJ-NSHDSACASA-N 330.413 2.716 0 50 EFAA CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 328593239 VNMFDXDOJHPEES-JKSUJKDBSA-N 330.409 2.617 0 50 EFAA CCOc1ccc(CCCNC(=O)CSc2nc(CC)n[nH]2)cc1 55152938 XSIZPGOVPXHSCH-UHFFFAOYSA-N 348.472 2.607 0 50 EFAA CCN(C[C@H]1CCN(C)C1)C(=O)c1c[nH]nc1-c1ccccc1F 67724667 PIWFYPAVHFSUOJ-ZDUSSCGKSA-N 330.407 2.630 0 50 EFAA CCN1CCN(c2c(Cl)cccc2NC(=O)[C@@H]2CCCO2)CC1 55119884 MFATVLVZXUGOMA-HNNXBMFYSA-N 337.851 2.599 0 50 EFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 10450849 BSXKBWADEROCEI-MSOLQXFVSA-N 344.455 2.658 0 50 EFAA CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2noc3c2CCCC3)cc1 863981613 IYSPFPZMSLXHDY-XMMPIXPASA-N 347.440 2.917 0 50 EFAA c1cc(-c2ccc(CN3CCC(n4cc(C5CC5)nn4)CC3)o2)[nH]n1 23380061 SQSIQYZXKQDULU-UHFFFAOYSA-N 338.415 2.976 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCC[C@@H](n2cncn2)C1 229588348 AEKJTZNNXLQJFP-BZUAXINKSA-N 330.819 2.899 0 50 EFAA Cc1cccc([C@@H](C(=O)N(Cc2nccn2C)C2CC2)N(C)C)c1 65374802 ZMFGRLWMJUEDQT-SFHVURJKSA-N 326.444 2.522 0 50 EFAA O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC[C@@H](n2cncn2)C1 229755954 SJYYRQSCQKIMGC-KWCYVHTRSA-N 332.354 2.524 0 50 EFAA C[C@@H](Cn1cccn1)NC[C@H](O)COc1c(Cl)cccc1Cl 314744194 CLXHPHBDRWMHNM-RYUDHWBXSA-N 344.242 2.608 0 50 EFAA Cc1ccsc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328638200 PBPFJACIDHTMOE-GFCCVEGCSA-N 332.429 2.669 0 50 EFAA O=C(O)c1sccc1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 314995847 HAPDRTCXYVMPSJ-LBPRGKRZSA-N 337.422 2.625 0 50 EFAA C[C@H](NC(=O)[C@@H](C)N1CCN(C)C[C@H]1C)c1cc2ccccc2o1 242302436 YSPDOUCGQIQHON-QLFBSQMISA-N 329.444 2.634 0 50 EFAA CCC1(O)CCN(S(=O)(=O)c2ccc3ccccc3c2F)CC1 332504193 FGNFEORILIMVCX-UHFFFAOYSA-N 337.416 2.905 0 50 EFAA CS(=O)(=O)CC1(CSc2nc3ccccc3o2)CCOCC1 339617495 TZOFPFPQUALOSM-UHFFFAOYSA-N 341.454 2.761 0 50 EFAA O=C(CN[C@H]1CCCC[C@@H]1n1cccn1)Nc1nc2c(s1)CCC2 127965410 BFCIFAZINBWPLD-JSGCOSHPSA-N 345.472 2.540 0 50 EFAA COc1ccc(O)c(C(=O)N2CCCC3(CCN(C)CC3)CC2)c1 67878272 QDSWOOSKIARFMI-UHFFFAOYSA-N 332.444 2.739 0 50 EFAA C[C@@H]1C[C@@H](N)CCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 237484276 XGFSWURSWZOMFC-VKYBYORPSA-N 328.334 2.937 0 50 EFAA Cc1ccccc1COc1cccc(NC(=O)[C@@H]2COCCN2)c1 237755901 WDQWFGWBHPFLKQ-SFHVURJKSA-N 326.396 2.501 0 50 EFAA COc1ccc(C2CCN(C(=O)c3cccc(C(=O)O)n3)CC2)cc1 450526607 GLSWJUNIIOPFRI-UHFFFAOYSA-N 340.379 2.808 0 50 EFAA Cc1nccc(C2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)n1 219097558 UOEYMNJYGUIXGB-IBGZPJMESA-N 337.423 2.885 0 50 EFAA COCc1nnc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)o1 71721628 XOEUUEQDQKJNGP-UHFFFAOYSA-N 344.396 2.612 0 50 EFAA COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](C)C3)c(OC)c1 71376131 VZGDDPZNPWMMFU-NSHDSACASA-N 342.395 2.769 0 50 EFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 252512042 LSTYMGSYMORXMO-OLMNPRSZSA-N 341.455 2.787 0 50 EFAA CCCN1CC[C@@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1 341032917 NPAPBTPTOMGMHA-WMZOPIPTSA-N 331.460 2.501 0 50 EFAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCC[C@H]1CN1CCOCC1 252517664 OILOYPODQIZEIC-IPMKNSEASA-N 346.446 2.643 0 50 EFAA COCCc1noc([C@@H]2CCCN(Cc3ccncc3Cl)C2)n1 215679766 ZAHSROBBJYAJMF-CYBMUJFWSA-N 336.823 2.687 0 50 EFAA O=C(NCc1ccc(Br)s1)N1CC[C@]2(CCOC2)C1 176431399 ZYIJEPXRHNEQGF-ZDUSSCGKSA-N 345.262 2.833 0 50 EFAA CCc1cccc(OCCN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1 285035663 ZUWUTHRXZXOWTB-AQNXPRMDSA-N 333.472 2.880 0 50 EFAA Cc1ccc(-n2nc(NC(=O)N[C@@H](C)C(F)(F)F)cc2C)cc1 344422622 QKIVUZNXIIGMMP-NSHDSACASA-N 326.322 3.561 0 50 EFAA COc1cnccc1[C@@H](C)NC1CCN(c2nnc(C)s2)CC1 253428707 NSGWSTYCISSLTL-LLVKDONJSA-N 333.461 2.570 0 50 EFAA O[C@H]1c2ccccc2C[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 253428876 NHBSXBXMSVEJDM-WMZOPIPTSA-N 340.814 2.669 0 50 EFAA Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2cncc(-c3ccccc3)n2)C1 253420404 VBCUONTWEOIMRL-APWZRJJASA-N 349.438 2.827 0 50 EFAA COc1ccc([C@@H](OC)[C@H](C)Nc2nc(C)nc3c2cnn3C)cc1 357268858 MLIAGRIMCXRWPN-ZBEGNZNMSA-N 341.415 2.868 0 50 EFAA Cc1c(C(=O)N2CCC[C@H]2c2cccs2)nnn1C1CCNCC1 150725321 BKQWADHCINEJOJ-AWEZNQCLSA-N 345.472 2.550 0 50 EFAA COc1cccc(OC)c1C(=O)N1CC[C@@H](Cc2ccncc2)C1 363674204 MHOMHEOEHCEMMD-HNNXBMFYSA-N 326.396 2.804 0 50 EFAA CN(C)c1ncc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 154782362 QXZBKOULXFTZPT-UHFFFAOYSA-N 329.429 2.925 0 50 EFAA CC(C)(O)CCc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)cc1 72422827 IDEUIKMKTIDCHL-FZDBZEDMSA-N 329.440 2.640 0 50 EFAA O=C1NC[C@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1 72126730 OHFUKVYNEJWDRM-QGZVFWFLSA-N 329.356 2.929 0 50 EFAA O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@]12CCc1ccccc12 175251591 IRZIQFPEOWFVNV-RXVVDRJESA-N 344.418 2.788 0 50 EFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1noc3c1CCCC3)O2 288248995 OSUPRXXYXZHCHZ-SFHVURJKSA-N 326.396 2.872 0 50 EFAA CCCn1ncc(NC(=O)Cn2cc(C)c(-c3ccccc3F)n2)n1 48282099 KSAUUJXWUAGMNN-UHFFFAOYSA-N 342.378 2.638 0 50 EFAA Cc1nc(N(C)C)ncc1C(=O)N(C)Cc1cccc2ncccc12 82106397 QQNAJNVYABGSSH-UHFFFAOYSA-N 335.411 2.671 0 50 EFAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(Cl)ccc1C)C2 221243864 GRNNTUKMQWSZPJ-MRXNPFEDSA-N 333.819 2.944 0 50 EFAA O=C(c1ccc(-c2ccsc2)cc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 426370975 LTMLQRHMEFIWFD-FZDBZEDMSA-N 343.448 2.619 0 50 EFAA CCCN(C(=O)Nc1ccc(C(N)=O)cc1C)[C@@H]1CCCC[C@H]1O 426563252 PXPYAPHECBLAPD-HZPDHXFCSA-N 333.432 2.641 0 50 EFAA Cc1ccc(C(C)C)c(OCCNC(=O)[C@H]2CC(=O)OC2(C)C)c1 226848829 XBNRFJYKRUXRRL-OAHLLOKOSA-N 333.428 2.955 0 50 EFAA Cc1cccc(CNC(=O)N2CCC(OCc3ccccn3)CC2)n1 426574928 AIFUUXPQVVTDEM-UHFFFAOYSA-N 340.427 2.676 0 50 EFAA CN(Cc1cn(C)nc1C(C)(C)C)[C@@H]1CCN(c2ccccc2)C1=O 180065510 YWIQIVAAYZDCLX-QGZVFWFLSA-N 340.471 2.955 0 50 EFAA O=C(c1cccnc1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95510280 PEOOALWMNNQULA-SFHVURJKSA-N 347.422 2.741 0 50 EFAA O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91493361 KFKIXDHBCVFFMR-OXJNMPFZSA-N 347.462 2.785 0 50 EFAA Cn1ccc2ccc(C(=O)NC[C@@H](CO)Cc3ccsc3)cc21 95503462 LPBMJPSAQMDZMC-AWEZNQCLSA-N 328.437 2.821 0 50 EFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3ccccc3F)n[nH]2)n1 91934456 SPGQPIZASWQOIN-LBPRGKRZSA-N 341.390 2.848 0 50 EFAA CSCCc1nc(-c2ccc(=O)n(C)c2)n(-c2cccc(F)c2)n1 96139253 FJUZEQIOJRKZGI-UHFFFAOYSA-N 344.415 2.678 0 50 EFAA CCN1C[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O 95391996 XRQLCTSKYWQIPO-QGZVFWFLSA-N 328.456 2.555 0 50 EFAA CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cccnc2)nc2ncnn12 92106820 LMXQUUUOBYITTA-OAHLLOKOSA-N 336.399 2.620 0 50 EFAA O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 245227306 BHQLITXTIDPEKG-DYKIIFRCSA-N 344.499 2.920 0 50 EFAA CN1CCC[C@H](CCNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)C1 244734589 NIIZCBYSNPKKIL-PQLJQCGPSA-N 334.504 2.556 0 50 EFAA NC[C@@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299738836 HBRFHXXVQRHRSC-INIZCTEOSA-N 340.423 2.565 0 50 EFAA Cc1cccc2oc(CCNC[C@@H]3CCO[C@H]3c3ccnn3C)nc12 299743086 LSMUSBGBRPLCRQ-IFXJQAMLSA-N 340.427 2.780 0 50 EFAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253592281 XWYBFXIUISNTQG-XCPBXTNGSA-N 348.483 2.747 0 50 EFAA O=C(CCc1cc(O)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 299794903 LOZWXNCASOTOPM-LBPRGKRZSA-N 341.367 2.860 0 50 EFAA Cc1nccn1[C@H](C)CC(=O)N1CCC(Oc2cccnc2)CC1 299776953 IUFDIXMKCMODEK-CQSZACIVSA-N 328.416 2.608 0 50 EFAA COc1cccc(-n2cc(CN(C)CCc3c(C)n[nH]c3C)cn2)c1 299800690 VRFPKRWMVVDXCV-UHFFFAOYSA-N 339.443 2.895 0 50 EFAA O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1ncc(C2CC2)o1 270504219 VDTKLDWTBWCPEW-LJQANCHMSA-N 337.379 2.532 0 50 EFAA O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)s1 271514861 LXXKADDSYJDGQA-RYUDHWBXSA-N 325.817 2.616 0 50 EFAA CCOC(=O)c1cnc(NCc2cccc3nsnc23)nc1C 952993552 YYLVIKNHPRMPFX-UHFFFAOYSA-N 329.385 2.579 0 50 EFAA O=C(NC[C@@H]1CC[C@H]2[C@H](C1)C2(F)F)c1cc2c(cc1F)CCNC2 1875304677 QXBNNGUXXOUZFW-ONERCXAPSA-N 338.373 2.883 0 50 EFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Oc3ccccn3)cc2)cn1 1875381301 QBGLPKWOTUXVAH-WAIKUNEKSA-N 336.395 2.871 0 50 EFAA O=C(Nc1cccc(Cn2cncn2)c1)c1coc(C(F)(F)F)n1 1875380706 XDEDOULBVAGLNU-UHFFFAOYSA-N 337.261 2.586 0 50 EFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc3c(c2)OC(C)(C)CC3)cn1 1875378435 DAALFQAWDLZEQT-AOMKIAJQSA-N 327.428 2.787 0 50 EFAA CC1=C(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)OCCO1 952983626 PVPCPDROWNJTMV-INIZCTEOSA-N 331.412 2.984 0 50 EFAA CCCOc1ccc(NC(=O)[C@H](C)S(=O)(=O)CC)cc1Cl 952873571 LXFPMOYYLSPKLK-JTQLQIEISA-N 333.837 2.891 0 50 EFAA COc1ccc(NC(=O)CC[C@H]2CCCCN2C)cc1C(=O)N(C)C 952872590 AJMHOUWRCVWPRZ-OAHLLOKOSA-N 347.459 2.600 0 50 EFAA Cc1cnn(C[C@H](C)NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 888094006 UXXUROIGMMQVIG-HOTGVXAUSA-N 334.464 2.713 0 50 EFAA Cc1cccc([C@@H](O)CNC(=O)c2csc(N3CCCCC3)n2)c1 897047935 SJQXPMYRDAEYJZ-INIZCTEOSA-N 345.468 2.905 0 50 EFAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3nc4cccc(F)c4o3)CC2)O1 1775958366 UQWPUNPRMBXOSS-UONOGXRCSA-N 334.347 2.816 0 50 EFAA CC(C)N(CC1CC1)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1776002134 AYZFKHKSDKGELI-KRWDZBQOSA-N 343.471 2.649 0 50 EFAA CC(C)c1nc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)cs1 275780027 CHKLIPRQFWIDBS-SMDDNHRTSA-N 334.445 2.650 0 50 EFAA Cc1cnccc1OC1CCN(C(=O)c2cn3ccccc3n2)CC1 278343353 MTVRUWDUNMVDJM-UHFFFAOYSA-N 336.395 2.721 0 50 EFAA CCCc1c(NC(=O)[C@H]2CSC(=O)N2)cnn1-c1ccc(C)cc1 278579744 PZAHXZYRDVYSOC-CQSZACIVSA-N 344.440 2.897 0 50 EFAA Cc1ccc(NC(=O)C(=O)Nc2ccc(F)nc2)cc1OC(F)F 170603763 VWJXOMCZZJNUQH-UHFFFAOYSA-N 339.273 2.708 0 50 EFAA COc1cccc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)n1 172532957 WFZXPANYGOZCRE-UHFFFAOYSA-N 340.427 2.748 0 50 EFAA C[C@H]1CN(C(=O)Nc2cccc(Oc3ccccn3)c2)CC(=O)N1C 282406439 CXLGYPKYUNLYCI-ZDUSSCGKSA-N 340.383 2.568 0 50 EFAA O=C(O)[C@@H](C1CC1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 635017480 UAFWGNVCXVUIGE-UONOGXRCSA-N 327.327 2.525 0 50 EFAA CNC(=O)c1cc(Br)ccc1NC(=O)c1ccnc(C)c1 225721833 FRUUAEMABMLIET-UHFFFAOYSA-N 348.200 2.764 0 50 EFAA CCO[C@H]1C[C@@](NC(=O)Cc2ccc(Cl)cc2)(C(=O)O)C1(C)C 193053632 UIVAMXOPQOJERH-SUMWQHHRSA-N 339.819 2.657 0 50 EFAA CN(Cc1ccc2nsnc2c1)C(=O)CCc1ccc(O)cc1 1506428932 RAACVXRGQMEQDC-UHFFFAOYSA-N 327.409 2.988 0 50 EFAA CN1CCC(n2nccc2NC(=O)Cn2ccc3ccccc32)CC1 1529145838 HYDPOELYNFBPEM-UHFFFAOYSA-N 337.427 2.743 0 50 EFAA CCCC(=O)c1cn(CC(=O)N[C@H]2CC[C@H](N)C2)c2ccccc12 211323552 QOGVYSLLDRPVFJ-KBPBESRZSA-N 327.428 2.620 0 50 EFAA Cc1cc(CCC(=O)N2CCC[C@H](N)C2)ccc1Br 158047782 WPESHZMSRHZHNB-ZDUSSCGKSA-N 325.250 2.640 0 50 EFAA Cc1cccc(CN2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c1 1772809944 AMYUBUOKCAQTTQ-HXUWFJFHSA-N 343.515 2.760 0 50 EFAA COc1cccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1 11692961 WYVJLSUMSWSKFZ-UHFFFAOYSA-N 343.774 2.764 0 50 EFAA CC(C)CCc1noc(CN2CCC(CCN3CCCC3=O)CC2)n1 12196968 JRPZRRYNYUBJGE-UHFFFAOYSA-N 348.491 2.883 0 50 EFAA C[C@@]1(CCC(=O)NCc2csc(-c3cccs3)n2)CCC(=O)N1 12282285 JYWYXJUVFDHCTF-MRXNPFEDSA-N 349.481 2.937 0 50 EFAA Cc1ccccc1NC(=O)c1cn(CCNCc2cccs2)nn1 15009251 IXADTJBHVKDXBE-UHFFFAOYSA-N 341.440 2.690 0 50 EFAA CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2Cl)c2ccccc21 18240361 CFURALIVNOYQDS-QGZVFWFLSA-N 344.798 2.943 0 50 EFAA Cc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 19210610 ZPFXHYHCUBXULF-QGZVFWFLSA-N 326.371 2.598 0 50 EFAA Nc1cncc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 1857674571 ODHWVSVJDMHBQK-UHFFFAOYSA-N 338.333 2.566 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H](OC[C@H]3CCCO3)C(C)C)C2)c1 253599150 AWAWZERRSIZTCV-KZNAEPCWSA-N 349.475 2.575 0 50 EFAA Cn1c(NC2CCN(Cc3ccccn3)CC2)nc2c(F)cccc21 373958299 KXAMFQJQOOSWDF-UHFFFAOYSA-N 339.418 3.184 0 50 EFAA O=C(CCn1cncn1)N1CCC2(CC1)C1CC3CC(C1)CC2C3 376072586 WNFRULODASCBBO-UHFFFAOYSA-N 328.460 2.733 0 50 EFAA O=C(c1cscn1)N1CCN(Cc2ccc(F)cc2Cl)CC1 264124890 KGXFMIOSHGVOHI-UHFFFAOYSA-N 339.823 2.894 0 50 EFAA C=CC(=O)N(CC)CC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 900907786 AUFFJMMKSIOAFX-VIFPVBQESA-N 349.378 2.764 0 50 EFAA COc1ccc(-c2nccnc2NC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1 905023457 ITUDRCAQBKDTDB-WBVHZDCISA-N 339.395 2.906 0 50 EFAA Cc1ccsc1C(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704338200 NXFYQIWJPAWDBD-QGZVFWFLSA-N 328.441 2.549 0 50 EFAA COc1ccc([C@@H]2COCCN2C(=O)c2cc3cnccc3[nH]2)cc1 828641600 DIJUQTOQKLUIOD-SFHVURJKSA-N 337.379 2.785 0 50 EFAA C[C@H](C(=O)N1CCC(OCCN2CCCC2)CC1)c1cccc(O)c1 933915973 OIEWKPFTNUSHBX-INIZCTEOSA-N 346.471 2.599 0 50 EFAA C[C@]1(O)CCCN(C(=O)Nc2ccc(-c3ccccc3F)nn2)C1 934956308 FZYDLWPUPGNPCK-KRWDZBQOSA-N 330.363 2.661 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3ccccc3C3(C)CC3)CCO2)o1 935509176 HAXBEOPEAKHBOG-HNNXBMFYSA-N 327.384 2.643 0 50 EFAA COC(=O)c1ccc(CN(C)Cc2cc(Br)cn2C)o1 151541484 YOOKUPXRHFUXJJ-UHFFFAOYSA-N 341.205 2.799 0 50 EFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Br)o2)C1 379276587 OWEKJRRPNDBLAD-POYBYMJQSA-N 341.127 2.536 0 50 EFAA Cc1cnc([C@H](NC(=O)Cc2nnc(-c3ccccc3)o2)C2CC2)[nH]1 2325766703 VVQIXDHPDWGTCS-MRXNPFEDSA-N 337.383 2.578 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2ccc3c(c2)OCC3(C)C)CC1 2325788003 HFAKQXSKHVZESI-QGZVFWFLSA-N 333.428 2.668 0 50 EFAA CC[C@@H]1C[C@H]1CNC(=O)CCCc1ccc(-c2nc(=O)o[nH]2)cc1 2325822182 HHKHXPMBJIVNGC-HIFRSBDPSA-N 329.400 2.515 0 50 EFAA C[C@H](CF)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 2325871399 KHAITERVOKGRRV-CZUORRHYSA-N 343.402 2.561 0 50 EFAA COc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)c(=O)oc12 281315 MYHZXLJKBYGJLC-UHFFFAOYSA-N 339.303 2.752 0 50 EFAA O=C(NCc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1 1164185 BUFIPPXKPUWXCZ-UHFFFAOYSA-N 336.435 2.784 0 50 EFAA O=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6751951 QBTZTCAXPSPGBB-UHFFFAOYSA-N 325.412 2.795 0 50 EFAA biogenic Cc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 10110767 VSGRTEQVEBTQFH-UHFFFAOYSA-N 347.436 2.677 0 50 EFAA COc1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10368189 PXFARMGXBJBYHV-UHFFFAOYSA-N 334.397 2.627 0 50 EFAA O=C(Nc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 10742093 RKCMIGRBBAZBDO-AWEZNQCLSA-N 327.359 2.712 0 50 EFAA COc1ccc(CCCNc2ncnc3oc(C)nc23)cc1OC 55042222 RPBCFIFOEBRCKJ-UHFFFAOYSA-N 328.372 2.988 0 50 EFAA Cc1cccc(C)c1CNC(=O)CSc1nnc(S)s1 121734224 HNTPANZAPKWSIU-UHFFFAOYSA-N 325.484 2.852 0 50 EFAA COc1ccc(CCC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1F 247997143 JZSNVENDYWFXJX-DOTOQJQBSA-N 334.435 2.710 0 50 EFAA CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]1c1c(C)nn(C)c1C 248021017 HUNIPRDFFLNDEM-GJZGRUSLSA-N 345.447 2.888 0 50 EFAA COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc(F)c(C)c2)c1 118507560 MSCKDYBBARGWJU-QGZVFWFLSA-N 333.359 2.615 0 50 EFAA O=S(=O)(c1cc(Cl)c(Cl)s1)N1[C@H]2CC[C@@H]1CCNC2 65528224 NETRWAIJJJUXFB-SFYZADRCSA-N 341.285 2.570 0 50 EFAA OCc1cn(C2CCN(Cc3ccc4c5c(cccc35)CC4)CC2)nn1 23214671 ZZGJRIJKBKHZCR-UHFFFAOYSA-N 348.450 2.859 0 50 EFAA CCc1oc2ccccc2c1C(=O)N1CCO[C@@H](c2nnc(C)o2)C1 328612384 OOOAFSQFZMEJDV-OAHLLOKOSA-N 341.367 2.900 0 50 EFAA Cc1ccsc1/C=C/S(=O)(=O)NCc1ccc2c(c1)OCO2 1398434 LVLSGAXIRFKQGM-FNORWQNLSA-N 337.422 2.876 0 50 EFAA CCc1nc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)no1 331878210 URSXHXULIIFXIM-SNVBAGLBSA-N 343.353 2.764 0 50 EFAA CC(C)(C)CN1CCC[C@]2(CCN(C(=O)c3cscn3)C2)C1=O 12386518 KOMIQIACZKZVDF-QGZVFWFLSA-N 335.473 2.644 0 50 EFAA C[C@H]1C[C@@H]1C(=O)N1CCCC[C@H]1Cn1cc(NC(=O)[C@H]2C[C@H]2C)cn1 252586104 NMBYNBRPGAFFJZ-ZAZJUGBXSA-N 344.459 2.515 0 50 EFAA Cc1ccc(CN(C)C(=O)c2cc(C)c(OCC(=O)O)c(C)c2)o1 237082115 KMALHGDNJHIIEM-UHFFFAOYSA-N 331.368 2.940 0 50 EFAA Cn1nc([C@@H]2CCCN2Cc2csc(C3CCCC3)n2)nc1N 284446558 ZTNPGVDVZOHGBT-ZDUSSCGKSA-N 332.477 2.849 0 50 EFAA Cc1cc(C)cc([C@@H](O)CNC(=O)NCC2CCN(C3CC3)CC2)c1 252509492 YORWVECUTPMSMA-IBGZPJMESA-N 345.487 2.510 0 50 EFAA O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2cccnc12 263049923 RYTWLEXRMQISNP-KFNAQCHYSA-N 328.343 2.699 0 50 EFAA Cc1cccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)n1 39363284 WVURIEYFLRZSOD-OAQYLSRUSA-N 339.483 2.501 0 50 EFAA CCCN(CC)CCNC(=O)c1cn(CC(C)C)nc1C(F)F 450023351 DXVNHGOEEKTYEH-UHFFFAOYSA-N 330.423 2.938 0 50 EFAA C[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1cncc(F)c1 359100895 QOUFZCBYCNCALB-GFCCVEGCSA-N 334.358 3.499 0 50 EFAA NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 15416852 POONRVZEEXGICA-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA Cc1cc(=O)oc2c(C)c(OC[C@H](O)CNc3ccncc3)ccc12 35686207 QREZXPKESIUJPI-OAHLLOKOSA-N 340.379 2.657 0 50 EFAA Cc1cc(C(=O)N2CC[C@@H](n3cccn3)C2)c(C)n1-c1nccs1 367871343 CMYXWDLFHKMXPD-CQSZACIVSA-N 341.440 2.834 0 50 EFAA COCCOC1CCN(Cc2ccc(-n3cccn3)cc2C)CC1 216144301 JYZKSWYFELSBRX-UHFFFAOYSA-N 329.444 2.808 0 50 EFAA CC[C@H](NC(=O)c1ccnc(-n2cnnc2)c1)c1ccc(F)cc1 71750539 HZZYUOMGCFJPHC-HNNXBMFYSA-N 325.347 2.683 0 50 EFAA CCCn1ccnc1CN1CCC2(CC1)C(=O)N(C)c1ccccc12 72171417 GQYXRIHAJIOHGW-UHFFFAOYSA-N 338.455 2.803 0 50 EFAA COCCCN1C[C@@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O 77471491 OGHCFAFHWOSNQH-IBGZPJMESA-N 331.460 2.636 0 50 EFAA N[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 158096825 VUHYRLHWHVVWJY-RUJXFNLJSA-N 337.423 2.624 0 50 EFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc(Cl)cc1Cl 262879760 GXYUYNXLTGWPEV-LBPRGKRZSA-N 346.210 2.851 0 50 EFAA Cc1ccc(C(=O)N2CCOCC2)cc1N[C@@H](C)CCn1cccn1 159312263 UIMPYMDOWVTVGK-INIZCTEOSA-N 342.443 2.555 0 50 EFAA Cc1cc(N2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)CC2)ccn1 222681701 WVROTLVITSIHAX-MRXNPFEDSA-N 349.438 2.650 0 50 EFAA O=C1O[C@H](C(=O)Nc2c[nH]nc2-c2ccccc2)Cc2ccccc21 178511392 FKHGITBSFDQXDY-INIZCTEOSA-N 333.347 2.797 0 50 EFAA CN(C)[C@H](CNc1ncnc2c1ncn2C1CC1)c1ccsc1 292475024 QHEDMYYWLCIUSS-CYBMUJFWSA-N 328.445 2.938 0 50 EFAA CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NC2CC2)s1 44921052 DFXROQSOXSMPBT-UHFFFAOYSA-N 329.425 2.897 0 50 EFAA O=C(NCCN1CCc2ccccc2C1)[C@H]1CCc2ccccc2O1 220514605 MKGHZPUXEFMQLZ-HXUWFJFHSA-N 336.435 2.555 0 50 EFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](C(=O)O)C1CCCCC1 95504327 PRLMOKMSXSJDJJ-INIZCTEOSA-N 335.448 2.865 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(CCN3CCCC3)CC2)n1 426624771 NUFPBDHTIQLSDW-GOSISDBHSA-N 344.503 2.991 0 50 EFAA CC(C)C(=O)N1CCC(N2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 91410427 BUHULSIUKWYWDJ-LJQANCHMSA-N 344.499 2.690 0 50 EFAA CCOc1ncccc1[C@H](C(=O)O)N1CCC(N2CCCCC2)CC1 95527419 BUGHCAHQSGLPEB-QGZVFWFLSA-N 347.459 2.556 0 50 EFAA CCOCCc1nc(Cn2ccnc2)n(-c2ccc3c(c2)CCC3)n1 91326978 GOAYESQBEJWOHX-UHFFFAOYSA-N 337.427 2.580 0 50 EFAA CC(C)C[C@@H](O)C1CCN(c2cc(C(=O)NC(C)C)ccn2)CC1 95497041 FMMUDONTDCEWAZ-QGZVFWFLSA-N 333.476 2.843 0 50 EFAA O=C1N[C@@H](C(=O)NCCCSC2CCCCC2)Cc2ccccc21 97636588 ABUMAYSPLJKCAZ-QGZVFWFLSA-N 346.496 2.913 0 50 EFAA CC1(C)C[C@@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)C(C)(C)O1 181734175 ZYBFNDWGDSKIJV-SNVBAGLBSA-N 334.342 2.913 0 50 EFAA CCc1cc(C(=O)N2CCC[C@@](CO)(CCCOC)C2)cs1 92036916 ZPLNAJWRSYDLPF-QGZVFWFLSA-N 325.474 2.952 0 50 EFAA CC(C)c1ccc(/C=C/CC(=O)NCc2nnc(S)n2C)cc1 163423343 QAJVHJWBYYDCBW-SNAWJCMRSA-N 330.457 2.947 0 50 EFAA COc1ccc([C@H](NC(=O)c2cccc(F)c2C)[C@H]2C[C@@H](O)C2)cn1 252535867 HBFVELRYLWRZRQ-IYOUNJFTSA-N 344.386 2.780 0 50 EFAA CC[C@H](NC(=O)CSc1cn(C)c2ccccc12)c1ncnn1C 534587324 GJDGBEWYFHDQDG-ZDUSSCGKSA-N 343.456 2.666 0 50 EFAA Cc1ccccc1-c1ccc(NC(=O)N2CCOC[C@@H]2CO)cc1 299773044 ADPZIOZKUIQSFW-KRWDZBQOSA-N 326.396 2.887 0 50 EFAA CCn1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1=O 823588139 ZSLJAEOWZCAPCV-OAHLLOKOSA-N 342.395 2.678 0 50 EFAA Cc1cc(C(=O)N2CCOC3(CCCC3)C2)ccc1N1CCOCC1 584889935 SIYHOXRRDZIAJC-UHFFFAOYSA-N 344.455 2.617 0 50 EFAA CNc1nc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cs1 670446584 JRVLUXZDWJHGRP-LLVKDONJSA-N 336.486 2.641 0 50 EFAA CC(=O)c1ncc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)s1 670439710 BMHCFPQNRMBQJT-LBENDPPBSA-N 348.468 2.795 0 50 EFAA CC[C@@H](NC(=O)N(CC)CCOc1ccc(C)cc1C)C(=O)N(C)C 670439384 SRLUAXLGCHUCTR-MRXNPFEDSA-N 349.475 2.581 0 50 EFAA O=C(NCc1n[nH]c2c1CCCCC2)c1cc(=O)c2ccccc2o1 670439295 YVNIIIYXVMSECH-UHFFFAOYSA-N 337.379 2.715 0 50 EFAA CCN1CCO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2ccccc2)C1 871144899 VLDHCZHFUBKACT-HNNXBMFYSA-N 340.427 2.613 0 50 EFAA CN1CCC2(CCN(c3cc(C(C)(C)C)nc(Cl)n3)CC2)C1=O 872522341 BYNNSIMZISQWDS-UHFFFAOYSA-N 336.867 2.876 0 50 EFAA O=C(NCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCCN2 1875349905 SBJIBLXVSRIZRX-UHFFFAOYSA-N 334.379 2.607 0 50 EFAA COc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCNC[C@H]3C)s2)cc1 1875310822 DGAVVKUQDMQIBC-IUODEOHRSA-N 345.468 2.889 0 50 EFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1CCOC[C@@H]1c1cc[nH]n1 1875330108 MODRCSBBOMIBKV-CVEARBPZSA-N 347.802 2.625 0 50 EFAA Cc1cc(N)n(CC(=O)N(Cc2ccccn2)C2CCCCC2)n1 952965608 DZBWFORIEIEWEN-UHFFFAOYSA-N 327.432 2.530 0 50 EFAA C[C@]1(Cc2cccs2)CCCN1C(=O)Cn1nnc2c1CCCC2 885252708 FEDKXLZMWHZUKL-GOSISDBHSA-N 344.484 2.842 0 50 EFAA CCn1cc(C(=O)N[C@@H](C)c2ncc(C)o2)c(C2CCOCC2)n1 888075995 MOLVLRKNCMTTQF-LBPRGKRZSA-N 332.404 2.584 0 50 EFAA CC(C)C[C@H](NC(=O)C1(c2cccnc2)CCCCC1)c1nn[nH]n1 1775986960 PXVIXGBKVJLHOS-HNNXBMFYSA-N 342.447 2.700 0 50 EFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C(C)C)nc1O 1565515159 GGUJXIAVCPWNIM-IRXDYDNUSA-N 348.443 2.781 0 50 EFAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccccc2)CCCCC1 1565510538 GBKMDQBCTFLNLW-RDGPPVDQSA-N 342.483 2.722 0 50 EFAA CCc1cncc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 279707282 KBXQOXYYASCFBX-WMLDXEAASA-N 332.350 2.870 0 50 EFAA CO[C@H]1CCCN(C(=O)NCC2(c3ccccc3C)CCOCC2)C1 171240529 XFBQHDNZXFOXKV-KRWDZBQOSA-N 346.471 2.864 0 50 EFAA CC1(C)CN(C(=O)NCc2cc3ccccc3[nH]2)C[C@]2(CCOC2)O1 280803471 HMDRKPKNFLMPKD-IBGZPJMESA-N 343.427 2.647 0 50 EFAA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ncc(F)cn2)C1 225498858 PCETWUQAHUCIGP-STQMWFEESA-N 327.281 2.947 0 50 EFAA c1ccc2c(OCCCn3cc([C@@H]4COCCN4)nn3)cccc2c1 640988881 DLYZWORMUIFSRB-SFHVURJKSA-N 338.411 2.561 0 50 EFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)CC(F)(F)F)C2=O)c(C)c1 189927585 PSDDVQRBGXAVFR-GFCCVEGCSA-N 328.334 2.786 0 50 EFAA Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 192749683 KRBBQSFXDMSLFN-WFASDCNBSA-N 342.411 2.653 0 50 EFAA CCO[C@@H]1C[C@@](NC(=O)Cc2ccc(Cl)cc2)(C(=O)O)C1(C)C 193053619 UIVAMXOPQOJERH-CXAGYDPISA-N 339.819 2.657 0 50 EFAA Cn1ncc2c(NCc3ccccc3OCC(F)(F)F)ncnc21 193635535 AJAIBLZHCXVIGZ-UHFFFAOYSA-N 337.305 2.917 0 50 EFAA COCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCc2c(OC)cccc21 194916291 KBKVGNOBKCXIJW-HZPDHXFCSA-N 342.443 2.935 0 50 EFAA O=C(O)Cc1cccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 653643023 SHSQLKDJGRRLHS-OAHLLOKOSA-N 341.363 2.734 0 50 EFAA Cc1nn(C)c2nc(/C=C/c3ccnn3CC3CC3)cc(C(=O)O)c12 656613401 JTLZZBXCIHVQNX-AATRIKPKSA-N 337.383 2.752 0 50 EFAA CN(CCF)S(=O)(=O)c1c[nH]c2c(Br)cccc12 907210722 VVGPMLIDWWGWRQ-UHFFFAOYSA-N 335.198 2.520 0 50 EFAA Nc1ncc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)s1 1529172051 GJPWEIYPNOCLGH-UONOGXRCSA-N 329.425 2.718 0 50 EFAA CN1CCC[C@]2(CO)CCN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 1704298082 DGHCIQBOUBMXDI-IAGOWNOFSA-N 342.405 2.984 0 50 EFAA COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 110598592 ZONHEUJVSCBYSF-JEEXOKBBSA-N 335.469 2.956 0 50 EFAA COc1ccnc(C(=O)N2CCCN(C[C@H]3CC=CCC3)CC2)c1 1775984088 HJTYQKADWHRCLM-INIZCTEOSA-N 329.444 2.594 0 50 EFAA Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)NC2CC2)C1 15074243 KPSSZSPUHZLBBH-CYBMUJFWSA-N 338.883 2.653 0 50 EFAA CCCN1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 16580720 MOEQMYAVXQNEPD-UHFFFAOYSA-N 336.304 2.986 0 50 EFAA O[C@@H]1CNCC[C@H]1n1ccnc1-c1nc(-c2ccccc2)cs1 1857696048 JXRLLVQUKPJULW-HUUCEWRRSA-N 326.425 2.569 0 50 EFAA Cc1[nH]ccc1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328630266 PRYHKTVDOLZIRX-LLVKDONJSA-N 340.349 2.873 0 50 EFAA CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 122191836 MRMYPLLSCWXDMO-AWEZNQCLSA-N 330.359 2.826 0 50 EFAA O=C(O)c1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 238217128 KGVGXMADUJOGAT-GOSISDBHSA-N 338.407 2.666 0 50 EFAA COc1ccc2c(N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)ccnc2c1 1875399231 SGVROBZTGRMDKQ-MJXNMMHHSA-N 338.411 2.692 0 50 EFAA O=C(c1cccc(-c2ccoc2)c1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 262471956 WZDLFUPDDPFYJL-QFBILLFUSA-N 341.363 2.510 0 50 EFAA CC(C)Oc1c[nH]ccc1=NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 934649871 FATLMXAGMFKISK-CYBMUJFWSA-N 349.822 2.620 0 50 EFAA CCOc1ccc2c(c1)[C@H](NC(=O)c1cc(C3CC3)nn1C)CCO2 935458341 CFICPBYFXIIJIK-OAHLLOKOSA-N 341.411 2.950 0 50 EFAA Cc1ccc(N2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3C)cc1 87659 QWDZNXCPJFXKPW-SFHVURJKSA-N 333.391 2.992 0 50 EFAA CCCCn1nc(CC(C)C)c2c(NC[C@H]3COCCO3)ncnc21 2100482920 GKKJQYXZZHIMGE-AWEZNQCLSA-N 347.463 2.652 0 50 EFAA CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)C1 2325760308 DFYHZDVZNHZPJY-BURFUSLBSA-N 344.455 2.622 0 50 EFAA C[C@H](Nc1ncnc2c1NC(=O)CO2)c1nc(C(C)(C)C)cs1 2325770734 CJNCHZWYTJUJCQ-QMMMGPOBSA-N 333.417 2.735 0 50 EFAA CC1(C)OC2(CCN(C[C@@H]3CC[C@]4(C3)CC4(F)F)CC2)NC1=O 2325778700 KMHSOYACEBRFFD-DOMZBBRYSA-N 328.403 2.529 0 50 EFAA O=C(C[C@@H](C(F)F)n1cccn1)N1CCC[C@@]12CCCSC2 2325781538 DFZFKISAZWXVKA-WFASDCNBSA-N 329.416 2.968 0 50 EFAA NC(=O)c1ccnc(C(=O)N2CC=C(c3cccc4ccccc34)C2)c1 2325823364 PPJOKUMSZCRBFI-UHFFFAOYSA-N 343.386 2.873 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc(F)c(F)c1)c1n[nH]c2ccc(F)cc12 2325865692 MHGVAKFPQMOONO-ZDUSSCGKSA-N 349.268 2.536 0 50 EFAA O=C(Cc1ccccc1)Nc1cc(N2C(=O)C=CC2=O)ccc1Cl 451881 POTVAPSAQBJMPY-UHFFFAOYSA-N 340.766 2.951 0 50 EFAA CC(C)CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 455556 XJMRLZOESHEFLU-UHFFFAOYSA-N 347.478 2.842 0 50 EFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(F)c1 477238 CRRZQKZXGFLBSM-AWEZNQCLSA-N 334.372 2.649 0 50 EFAA C[C@@H]1CN(C(=O)c2ccc(I)cc2)C[C@@H](C)O1 614031 MNFOEQCBQZQOTM-NXEZZACHSA-N 345.180 2.541 0 50 EFAA O=C(CCN1CCCCCC1=O)NCc1cccc2ncsc12 2356134707 YRFOJCUWZWHJJP-UHFFFAOYSA-N 331.441 2.705 0 50 EFAA CN1CCC[C@]2(CCCN2C(=O)CCc2ccc(F)cc2F)C1=O 2356153598 NMTNVVCVIUHQLP-SFHVURJKSA-N 336.382 2.511 0 50 EFAA O=C(O)CC[C@H]1CCN(C(=O)c2csc(Br)c2)C1 134432882 VIEFGUUDTVOPQA-QMMMGPOBSA-N 332.219 2.838 0 50 EFAA Cn1cnnc1SCC(=O)NCCc1ccc(Cl)cc1Cl 3292778 KEQPGIBADBOFDD-UHFFFAOYSA-N 345.255 2.573 0 50 EFAA O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 4695756 YSYXHLKIYLDEJJ-UHFFFAOYSA-N 333.727 2.918 0 50 EFAA COc1cccc(NC(=O)CSc2nnc(CC(C)C)n2C)c1 6701014 NMBMMRIGRYRTCC-UHFFFAOYSA-N 334.445 2.753 0 50 EFAA CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 6703613 JYVDZHPZGIBZAB-MRXNPFEDSA-N 332.425 2.628 0 50 EFAA CCN(CCOc1cccc(C)c1)C(=O)c1cnc2ccnn2c1C 55369792 CQZPDNQDPUYRME-UHFFFAOYSA-N 338.411 2.887 0 50 EFAA CCC[C@H](C)c1nnc(NC(=O)c2nnc3nc(C)cc(C)n23)s1 55042016 DLFQQPOVYJOJOR-QMMMGPOBSA-N 345.432 2.749 0 50 EFAA COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl 8240453 JKBGHPMWICEVDQ-UHFFFAOYSA-N 343.770 2.697 0 50 EFAA C[C@H](O)[C@@H]1CCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C1 282918777 YFOLOOUDOCEXDP-GOEBONIOSA-N 341.411 2.895 0 50 EFAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC(CO)CC1 20448737 VZBNVQVBXQILLX-UHFFFAOYSA-N 341.436 2.907 0 50 EFAA 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349.475 2.675 0 50 EFAA COc1cc(F)c(NC(=O)N[C@H](CO)Cc2ccccc2)cc1F 156198415 GLIWHHWDSPRMFB-LBPRGKRZSA-N 336.338 2.699 0 50 EFAA C[C@@H](c1nc(-c2ccccc2F)no1)N1C(=O)NC2(CCCC2)C1=O 371925603 MGGDGPZHNYIQHG-JTQLQIEISA-N 344.346 2.801 0 50 EFAA COCc1noc(CN2CCC[C@H](OCc3ccccc3F)C2)n1 376093578 IOHIKJSIBPISHQ-AWEZNQCLSA-N 335.379 2.536 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)C1CCC(F)(F)CC1 262955501 HPEHXQYPYSHOQV-AWEZNQCLSA-N 339.338 2.689 0 50 EFAA CCOc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)o1 219777143 MFBAYMROXUSNMM-ZDUSSCGKSA-N 328.368 2.808 0 50 EFAA CCCCN1C[C@]2(CCCN(Cc3noc(CC)n3)C2)CCC1=O 77565161 GYRZPGYLENTYJH-GOSISDBHSA-N 334.464 2.637 0 50 EFAA CC(=O)c1c(C)cc(C)c(CN2CCOC[C@@H](CN(C)C)C2)c1C 72166364 YFKLYJZNRVEFBF-SFHVURJKSA-N 332.488 2.824 0 50 EFAA C[C@H](C(=O)NCc1cccs1)N1CC[C@@H](CNc2ccccn2)C1 222198061 XTAACWJUSHVDJG-CABCVRRESA-N 344.484 2.582 0 50 EFAA O=C(Cn1nc(-c2cccs2)ccc1=O)OCc1ccccc1 44903471 CHKFHTKSKUNHLB-UHFFFAOYSA-N 326.377 2.715 0 50 EFAA CCn1ncnc1[C@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)C1CC1 223720866 BKYYETDXWCATOE-MRXNPFEDSA-N 339.399 2.669 0 50 EFAA O=C(N[C@H]1CCc2ccccc2C1)c1ccc(N2CCNC2=O)cc1 293224693 JRJYIIIAOIBVPI-KRWDZBQOSA-N 335.407 2.504 0 50 EFAA Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)c2ccc(F)cc2n1 82107620 DJNJHQCGCGMTLE-YJYMSZOUSA-N 328.387 2.917 0 50 EFAA CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ncnn1C 82097100 BRPOPPRSVADWFW-OAHLLOKOSA-N 325.372 2.597 0 50 EFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCCCOc1cccnc1 426531852 UKMBQCCJYXVQRQ-UHFFFAOYSA-N 345.447 2.713 0 50 EFAA Cc1cnc(CNC(=O)Nc2ccccc2CN2CCCC2)cn1 95530320 YJWOXRLQDCLDRH-UHFFFAOYSA-N 325.416 2.703 0 50 EFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)cc1 269192205 RCVDHAWRGKOMFW-BXUZGUMPSA-N 330.350 2.970 0 50 EFAA C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cncc(F)c1 163739535 UCNQNCZFJKNMRC-HNNXBMFYSA-N 329.419 2.904 0 50 EFAA Cn1cc(Cl)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95383601 MBNHUDOWDCUHJG-CYBMUJFWSA-N 347.802 2.792 0 50 EFAA CN(C)[C@@H](C(=O)NCc1ccc(C(=O)O)s1)c1cccc(F)c1 95505560 GJDXTKVAZZTPCN-CQSZACIVSA-N 336.388 2.505 0 50 EFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2sc(C(C)C)nc2C)on1 91694711 UOERVORAZADXRI-OCCSQVGLSA-N 349.456 2.859 0 50 EFAA CCc1noc(-c2ccc(NC(=O)N(C)Cc3noc(C)n3)cc2)n1 96165944 FDGGXAFOBGQDNI-UHFFFAOYSA-N 342.359 2.654 0 50 EFAA COc1cccc2c1OC[C@@H](Cc1cccc(N3CCNCC3)c1)C2 95387173 WBRFFWMZUXXEQZ-KRWDZBQOSA-N 338.451 2.899 0 50 EFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)CCO1 299749234 JNNOZEDLQMZIOB-INIZCTEOSA-N 345.326 2.544 0 50 EFAA CCCc1nnsc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252551353 UCUATSOORHYGKF-CWSCBRNRSA-N 337.470 2.794 0 50 EFAA CCCOc1ccc(CCNC(=O)N2CCN3CCC[C@H]3C2)cc1 534590095 ADKGNFREWNSQMT-KRWDZBQOSA-N 331.460 2.508 0 50 EFAA O=C(O)COc1ccc(-c2ncccn2)cc1CN1CCCCCC1 299784167 FYRMSXZAHINKHC-UHFFFAOYSA-N 341.411 2.983 0 50 EFAA CC[C@H](OC)c1nc(Cc2ccc(OC)cc2)nn1CC(C)(C)O 824674552 NJZGIEWYCGXLKE-HNNXBMFYSA-N 333.432 2.746 0 50 EFAA C[C@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1ccc(F)cc1F 584888616 BXKPFPPSALFHNI-JTQLQIEISA-N 340.326 2.737 0 50 EFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1nnn(-c2ccc(C)cc2)c1C 185832572 BQXGPHKFGVEWBX-INIZCTEOSA-N 340.427 2.858 0 50 EFAA CC1(c2nnc(-c3ccccc3F)o2)CN(c2cnc(F)cn2)C1 952895655 VHLKWWGXUBCKII-UHFFFAOYSA-N 329.310 2.583 0 50 EFAA Cc1cn2nc(C(=O)NCC(C)(C)C3CCCCC3)cc2c(=O)[nH]1 952994077 OZTNQCTZUHPIRM-UHFFFAOYSA-N 330.432 2.667 0 50 EFAA CC(C)n1cncc1CN1[C@@H](C(=O)O)CS[C@H]1c1ccncc1 1875283437 SDCKMRSVVFVPHI-CABCVRRESA-N 332.429 2.560 0 50 EFAA O=C([C@H](c1ccccc1)n1cc(-c2ccncc2)nn1)N1CCCCC1 1875282432 DRLHSODNLKOJTI-IBGZPJMESA-N 347.422 2.942 0 50 EFAA Cc1ccc(-n2ccc(CN3CCNC[C@H]3c3ccncc3)n2)cc1 1875323289 DFPFQDRCEWUCLP-FQEVSTJZSA-N 333.439 2.722 0 50 EFAA CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnc2)n1 952974764 QOZLPCLJODFCSM-UHFFFAOYSA-N 342.790 2.634 0 50 EFAA CCN1C[C@H](c2nc(COc3ccccc3)nn2C(C)(C)C)CC1=O 952973546 JITICCUQZCZTQM-CQSZACIVSA-N 342.443 2.948 0 50 EFAA CS(C)(=O)=NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 891164129 GNYCTWZVJFIPKH-TVKJYDDYSA-N 346.452 2.785 0 50 EFAA C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1)c1cccc(C2CC2)c1 895064590 SCYIOBBAZUZQLI-ROOHIHILSA-N 341.455 2.922 0 50 EFAA CC(C)COC(=O)N1CCCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 1775987148 DLTXFYORLQZAET-UHFFFAOYSA-N 348.369 2.729 0 50 EFAA Cc1cc(C(=O)N2CC(C)(C)CC[C@H]2CNC(=O)[C@H]2CC2(C)C)n[nH]1 991037537 ZOKDNBIHKGWTJW-UONOGXRCSA-N 346.475 2.511 0 50 EFAA CN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(C2CC2)nc1O 899175479 ZIVTZQSJLMRPQW-UHFFFAOYSA-N 336.395 2.856 0 50 EFAA COc1cc2c(cc1OC)[C@H](C1CC1)N(CCN1CCCC1=O)CC2 1363300934 UUVXKIQHVWSMPO-FQEVSTJZSA-N 344.455 2.635 0 50 EFAA Cc1cc(Cl)cc(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)c1 1364454995 UUGQBRIZPQWFTI-UHFFFAOYSA-N 331.803 2.684 0 50 EFAA COc1cccc(-n2cc(CNC(=O)N3C[C@H]4CCC[C@@H]3C4)cn2)c1 1565527420 PGVRXWWFRVHJBS-GOEBONIOSA-N 340.427 2.965 0 50 EFAA CCOc1nc(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)co1 681331804 LSRXKKZFXKNZPN-OAHLLOKOSA-N 334.347 2.735 0 50 EFAA CNC(=O)c1cccc(CCNc2cc(Br)ccn2)c1 170598881 XPBNQWHBCDSHBM-UHFFFAOYSA-N 334.217 2.858 0 50 EFAA Cn1c(=O)sc2cc(CNCCC(=O)NC3CCCCC3)ccc21 170619057 NDBCTXCJPIDFSK-UHFFFAOYSA-N 347.484 2.529 0 50 EFAA COCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 170603872 KDVSRYJDKVZRBO-UHFFFAOYSA-N 340.379 2.587 0 50 EFAA CC1(C)CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1(C)C 170651498 AONDOLHQSJJNGK-UHFFFAOYSA-N 326.462 2.685 0 50 EFAA CCN(CC)Cc1ccc(C(=O)N[C@](C)(C(=O)OC)C2CC2)cc1 170632984 NRXZQPCQYIIDHR-IBGZPJMESA-N 332.444 2.600 0 50 EFAA O=C(c1cn[nH]c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 279459683 WAEAGKDSQFDOHE-CQSZACIVSA-N 349.232 2.889 0 50 EFAA O=C(c1ccc2c(c1)OCCO2)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281713588 BAYBZDVEUKZFND-JKSUJKDBSA-N 343.354 2.545 0 50 EFAA CCCn1cc(NC(=O)N2CCC(Nc3nccs3)CC2)cn1 189038759 OQSFWVLFEBEVNQ-UHFFFAOYSA-N 334.449 2.858 0 50 EFAA Cc1nc(C(=O)N2CCC[C@@H](O)CC2)nn1-c1ccccc1C(C)C 647569138 NZQHKSCGSHWNJZ-OAHLLOKOSA-N 342.443 2.686 0 50 EFAA 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2.554 0 50 EFAA CC[C@H]1CN(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCO1 1857530729 PPPIFQSMWSQUEV-IHRRRGAJSA-N 336.398 2.582 0 50 EFAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccc(Cl)cc2C)n1 1857673478 JLWMUDLPIQGCPF-LBPRGKRZSA-N 328.807 2.859 0 50 EFAA CC(C)Cc1nc([C@@H]2CCn3nccc3C2)n(CC(F)(F)F)n1 1857678496 IDTVWEZOTUMWLL-LLVKDONJSA-N 327.354 2.965 0 50 EFAA CCS(=O)(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)cc1 302728056 TYVOZVHRSPDUOY-SFHVURJKSA-N 347.436 2.764 0 50 EFAA Cc1cc(C)n(CC(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)n1 328617439 CTMALVMNJVCXJE-AWEZNQCLSA-N 332.473 2.843 0 50 EFAA Cc1nc(S(=O)(=O)N2c3ccccc3S[C@H](C)[C@@H]2C)cn1C 123864841 GEPGTNOXHONDCJ-WDEREUQCSA-N 337.470 2.807 0 50 EFAA CNCC1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 237078377 WXBCTRGPZURXOK-UHFFFAOYSA-N 332.835 2.802 0 50 EFAA Cc1c(C(=O)N2CC[C@@H](N)C[C@H]2C)cnn1-c1ccccc1Cl 237428156 XGKNGJWMQRPORL-DGCLKSJQSA-N 332.835 2.786 0 50 EFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ncc[nH]2)cc1 247875696 GRTDYRWNAXPWTG-SJORKVTESA-N 326.444 2.515 0 50 EFAA Cc1cnc(N2CCC[C@@H](CC(N)=O)CC2)c(Br)c1 671440282 FWUCLPKOVHITAZ-LLVKDONJSA-N 326.238 2.634 0 50 EFAA Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(C)c1OCC(=O)O 262220917 VKUHVBLFXDZLPN-JKSUJKDBSA-N 347.411 2.550 0 50 EFAA C[C@@H](NC(=O)c1sccc1Cl)c1cccc(S(N)(=O)=O)c1 163112991 ZXHXBTNFGOEEPV-MRVPVSSYSA-N 344.845 2.540 0 50 EFAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCC[C@H]1CC(=O)c1ccco1 901032550 SAMHGCBQKUBJOJ-VBHSOAQHSA-N 341.411 2.933 0 50 EFAA CC(C)n1cc(Cl)c(NC(=O)c2ccc(OCC(=O)O)cc2)n1 902756122 CPFYEHCKCKITCI-UHFFFAOYSA-N 337.763 2.833 0 50 EFAA CC(C)(C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCCCC1 909985789 POIDPQJDCSJAOD-UHFFFAOYSA-N 348.447 2.746 0 50 EFAA COc1ccc([C@H]2CCCN2Cc2n[nH]c3c2COCC3)cc1F 930997246 JFMQPDABRLRXGG-QGZVFWFLSA-N 331.391 2.967 0 50 EFAA N=C(O)[C@@]1(O)CCCN(Cc2c(F)ccc(Br)c2F)C1 330366334 NYDKYANTWUNHRM-CYBMUJFWSA-N 349.175 2.589 0 50 EFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(NC(C)=O)cc1 62710 APKGBXWZPXKTGK-KRWDZBQOSA-N 342.351 2.943 0 50 EFAA CN(C)C(=O)C1(c2nc(-c3cscc3C(F)(F)F)no2)CC1 2325783520 CXJPWCCZUTVNPH-UHFFFAOYSA-N 331.319 2.937 0 50 EFAA Cc1nn(Cc2ncc(Cl)s2)c(C)c1[C@H]1COCCN1C 852962036 BDCLWRIXZLUNFV-LLVKDONJSA-N 326.853 2.661 0 50 EFAA COC(=O)c1cc(NCc2ccnc3[nH]ccc23)c(OC)c(OC)c1 2325854224 SSEVXYHOBREXNS-UHFFFAOYSA-N 341.367 2.979 0 50 EFAA Cc1sc([C@@H](C)N)nc1C(=O)NCc1ccc2cnccc2c1 2325856510 SGJNUHFQFKUFPN-SNVBAGLBSA-N 326.425 2.949 0 50 EFAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc2ccnc(Cl)c2[nH]1 2325864594 SWDPMXRDHXDWFH-UHFFFAOYSA-N 332.747 2.892 0 50 EFAA CC(=O)NCC[C@@H]1CCCN(c2nccn3nc(C(C)(C)C)cc23)C1 893868630 YHBIDOSAFLJNEW-HNNXBMFYSA-N 343.475 2.769 0 50 EFAA O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1Cc1ccccc1 121877 HMYAXCGPJAMZHQ-UHFFFAOYSA-N 340.810 2.838 0 50 EFAA Nc1ccc(Br)cc1[C@H](NCC(=O)O)c1ccccc1 265658 XKMGHXXIKZRCSP-OAHLLOKOSA-N 335.201 2.795 0 50 EFAA Cc1ccc(S(=O)(=O)CCC(=O)c2ccc3c(c2)OCO3)cc1 732288 DATVZFKFVKANJF-UHFFFAOYSA-N 332.377 2.770 0 50 EFAA O=C1OCC[C@@H]1Sc1nnc(-c2cccc(Br)c2)o1 1111201 IHEGCGKUCFDNKE-VIFPVBQESA-N 341.186 2.907 0 50 EFAA COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 1061262 HBYKVSIKTQCXMU-ZDUSSCGKSA-N 341.363 2.965 0 50 EFAA CC[C@]1(C)C[C@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 1774015 LYWNZVLBDLLGAO-MOPGFXCFSA-N 337.460 2.894 0 50 EFAA biogenic CCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2060820 YDYWFEZAHBTLEL-LLVKDONJSA-N 338.477 2.894 0 50 EFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cccc2)c1 2856241 RCMXEOKHVBYRMO-FQEVSTJZSA-N 332.359 2.890 0 50 EFAA CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 4487976 JPCBGBKSTSKBCH-UHFFFAOYSA-N 325.411 2.750 0 50 EFAA COc1c(CNc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c(C)nn1C 124876256 LMMSAIZSNUTCNH-OKILXGFUSA-N 344.459 2.963 0 50 EFAA CC(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2C)cc1 6700243 BJLLIDCFMIXMCF-UHFFFAOYSA-N 330.457 2.976 0 50 EFAA CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cccn2C)s1 20109574 LCSXXRIETJTGHU-GFCCVEGCSA-N 331.441 2.814 0 50 EFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1F 52537486 FGKJNIPSVXJJME-UHFFFAOYSA-N 349.356 2.865 0 50 EFAA Cc1cc(C(=O)N2CCc3ccccc32)ccc1NS(C)(=O)=O 10112433 YSDXZKZLBQTSSN-UHFFFAOYSA-N 330.409 2.569 0 50 EFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC[C@H](O)c2ccco2)C12CCC2 863983963 OUIJBYUWGNKVJD-AEGPPILISA-N 336.432 2.739 0 50 EFAA O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCN2CCCC[C@H]2C1 247949100 RWEQVNSVHYQMPX-OTWHNJEPSA-N 328.456 2.851 0 50 EFAA O=C(CSc1cccc[n+]1[O-])NC[C@H]1[C@H]2c3ccccc3CC[C@H]21 123087802 DHSPFOASQBDPIJ-FCEWJHQRSA-N 340.448 2.504 0 50 EFAA CS(=O)(=O)c1ccc(-n2nc(C3CC3)nc2[C@H]2CCCCO2)cc1 65395536 BKLCQBAGNUQYGF-OAHLLOKOSA-N 347.440 2.790 0 50 EFAA CN(C[C@@H](O)c1ccc(F)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 229718226 MMBOQIMTGNNYBT-RTBURBONSA-N 342.414 2.811 0 50 EFAA CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)c1ccc(Cn2cccn2)o1 230093037 SNUDBAXNSLYZMD-NUEKZKHPSA-N 330.384 2.885 0 50 EFAA C[C@](O)(CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccco1 230099157 QOXZSOFJCWJHBI-XCJLJZCSSA-N 340.467 2.987 0 50 EFAA Cn1nc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 170613326 BVNOCQFUEAJMIL-HOCLYGCPSA-N 326.444 2.568 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H](C)c2cn3ccsc3n2)n(C)n1 65489554 ZDLPWUNEUIXWJR-LLVKDONJSA-N 331.445 2.819 0 50 EFAA C[C@H](CN[C@@H]1CCCOc2cc3c(cc21)CCC3)N1CCN(C)CC1 122273344 OYXJLWIGWQCXID-OXQOHEQNSA-N 343.515 2.615 0 50 EFAA C[C@@H]1CN(C)c2ccccc2N(C(=O)CNC(=O)c2ccsc2)C1 126149184 GSAZMLOZGNQIQS-CYBMUJFWSA-N 343.452 2.597 0 50 EFAA COCc1ncc(CN2CCN(c3ccccc3C)C[C@H]2C)cn1 67642456 XXQCZDQZKALMQA-MRXNPFEDSA-N 326.444 2.642 0 50 EFAA Cc1noc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)C2)n1 332177033 MSDPQEALUWVMOI-SNVBAGLBSA-N 340.305 2.730 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN(CC)C3CCOCC3)cc2c1 67726870 XMFUAIWTKSIBNR-UHFFFAOYSA-N 330.428 2.928 0 50 EFAA COc1ccc(OC)c(-n2cnnc2-c2ccc(O)c(OC)c2)c1 67771549 UBFMZPZQBIJDMI-UHFFFAOYSA-N 327.340 2.666 0 50 EFAA C[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@H](c2ccccc2)O1 237524869 RUZVTSOLPRSLKL-SUMWQHHRSA-N 325.364 2.987 0 50 EFAA CCn1ncc(Br)c1C(=O)Nc1ccc(N(C)C)cc1 205104 QAUONMSZLOFWOA-UHFFFAOYSA-N 337.221 2.984 0 50 EFAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 173548303 BAKAIVBKNGCGDY-INIZCTEOSA-N 339.395 2.723 0 50 EFAA c1cncc(COC2CCN([C@H]3CCOC4(CCOCC4)C3)CC2)c1 77522104 ZYQJWFWWJCOQAE-SFHVURJKSA-N 346.471 2.791 0 50 EFAA NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1cccs1 252477534 QBHRYOFLKQSXGZ-ZFWWWQNUSA-N 329.425 2.821 0 50 EFAA CCC[C@@H](NC(C)C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 354092206 NTIZYXFCXBQRKR-QGZVFWFLSA-N 332.492 2.642 0 50 EFAA Cc1ccc(NC(=O)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)cc1 242346956 ZKOYTKBFLBXIRV-BDQBCWGISA-N 343.427 2.680 0 50 EFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccccc2)CC1 54172795 OVRLELBESOHJQP-KRWDZBQOSA-N 335.451 2.786 0 50 EFAA C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@H]1O 252537745 MFKRVRCBSCFGLY-VCTAVGKDSA-N 343.254 2.801 0 50 EFAA CCN(C)C(=O)[C@H](C)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 252510343 ZHVIVJNWRASEDR-HNNXBMFYSA-N 346.475 2.911 0 50 EFAA COCc1ccc(CN2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1 339201099 JCRWEBOGWLNQJL-JKSUJKDBSA-N 344.377 2.864 0 50 EFAA CCc1ccc2nc(C)cc(C(=O)N[C@H]3CCCCNC3=O)c2c1 77439436 HMVTUIRBUKIZQD-KRWDZBQOSA-N 325.412 2.504 0 50 EFAA CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc(Cl)s1 356586330 XQZKAJHMPMABGH-UHFFFAOYSA-N 343.924 2.891 0 50 EFAA COCc1cccc(CC(=O)N2CCC(c3nccc(C)n3)CC2)c1 363776122 FWQGELGUVIJUCC-UHFFFAOYSA-N 339.439 2.880 0 50 EFAA CC[C@H](C)OCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 263067035 IRTUHDDAOAKQIR-TUKIKUTGSA-N 339.819 2.782 0 50 EFAA COc1nc(C)ccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O 263061005 XGEHSKKSWNQFAL-ZDUSSCGKSA-N 328.368 2.514 0 50 EFAA CC[C@@H](C)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71498635 LBXPBLYXWZOBNL-GFCCVEGCSA-N 345.443 2.651 0 50 EFAA CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C1(C)C 157426109 UOVCZMPYNQJLRY-OWCLPIDISA-N 337.460 2.820 0 50 EFAA COc1ccc(N(Cc2ccco2)C(=O)[C@H]2C[C@@H]2C(=O)O)cc1F 262380015 IDSTVPPVRWREBW-STQMWFEESA-N 333.315 2.681 0 50 EFAA C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCc2ccccc2OC1 375712777 UUXROQWYPOEMSB-WBVHZDCISA-N 345.464 2.832 0 50 EFAA Cc1cccc(Oc2ccc(C(=O)N3CCC[C@](O)(CO)C3)cc2)c1 72133362 IWKIZDOVFLNGGK-HXUWFJFHSA-N 341.407 2.747 0 50 EFAA CCc1noc([C@]2(O)CCN(Cc3ccc(OCC4CC4)cc3)C2)n1 377833037 CZVANNJVHJBHOH-IBGZPJMESA-N 343.427 2.514 0 50 EFAA CCOc1ccc(CN2CCC[C@@](O)(CO)CC2)c(OCC)c1C 72121810 FXOALILHGXHFDG-IBGZPJMESA-N 337.460 2.502 0 50 EFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNC1CCCCCC1 14962317 YYUSQODCOUITKD-NRFANRHFSA-N 344.499 2.895 0 50 EFAA CO[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 378637098 ZDWYPIOZASMZNU-MRXNPFEDSA-N 331.416 2.612 0 50 EFAA COC(=O)c1cc(-c2cn(C)nc2C)nc2cc(-c3ccccc3)nn12 13645573 WXFFWIJVPWRPAL-UHFFFAOYSA-N 347.378 2.892 0 50 EFAA Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCOc2ccccc21 175551146 MQSXTQIPZTVAOR-NVXWUHKLSA-N 340.427 2.889 0 50 EFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2ccccc2C)n1 289235153 YYRBSZIZPOAQIN-HNNXBMFYSA-N 328.416 2.556 0 50 EFAA CCCn1cc(-c2ccnc(N[C@H](C)Cc3cnccn3)n2)c(C)n1 19744538 MOTVHILZUYFEJZ-CYBMUJFWSA-N 337.431 2.892 0 50 EFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)C1 179000411 NWUNXSYKQGSCHM-VXGBXAGGSA-N 330.350 2.541 0 50 EFAA C[C@H](CNC(=O)N[C@@H]1CCCOCC1)c1nc(-c2ccccc2)no1 179677080 OWXQKHLQSYSPPW-UKRRQHHQSA-N 344.415 2.708 0 50 EFAA CC(C)c1noc(CSc2nnc(CN)n2Cc2ccccc2)n1 426444601 MODIGGYAAJNCBP-UHFFFAOYSA-N 344.444 2.584 0 50 EFAA C[C@@H](CN(C)C)NC(=O)c1cccc(-c2ccc(CCO)cc2)c1 426407733 ZSJMJGCOQVHBPD-HNNXBMFYSA-N 326.440 2.568 0 50 EFAA C[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C 20617115 UJESYYKHGJLXKB-VXGBXAGGSA-N 336.480 2.749 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ncccc2N)cc1 426490136 FPFOWSHMWVYCOY-INIZCTEOSA-N 325.412 2.972 0 50 EFAA Cc1n[nH]c(C)c1CCCNC(=O)c1cc(-c2ccccc2F)n[nH]1 91858866 UUUNURVDRSSJAB-UHFFFAOYSA-N 341.390 2.918 0 50 EFAA Cn1ccnc1C1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 92098853 BIROLUFNTKWLSJ-OAHLLOKOSA-N 333.819 2.513 0 50 EFAA CSc1ccc([C@H](CNc2ncnc3nc[nH]c23)N(C)C)cc1 293902018 CPFMZFVHJICFMN-ZDUSSCGKSA-N 328.445 2.790 0 50 EFAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2nc3ccc(F)cc3[nH]2)n1 426496833 HNWBPAPJPGMXQQ-GFCCVEGCSA-N 341.390 2.941 0 50 EFAA Cn1cc(-c2cn(CCCn3ccnc3)nn2)c(-c2ccccc2)n1 91830809 BUKYWIXHGHDMJB-UHFFFAOYSA-N 333.399 2.632 0 50 EFAA Cc1nc(NCc2nc(Cc3ccccc3)no2)c2nc(C)oc2n1 92061597 IOUBHCWWEMXKKN-UHFFFAOYSA-N 336.355 2.821 0 50 EFAA CCCn1ccnc1CNC(=O)c1cccc([C@H]2CCCNC2)c1 95375874 QFWIYZKKCQDNMB-KRWDZBQOSA-N 326.444 2.690 0 50 EFAA Cc1ccc(C)c2c(C)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)[nH]c12 91934321 ZXFKADYRSCCXNR-QGZVFWFLSA-N 327.428 2.690 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C(C)=O)CC2 91594041 OMDTWTBRJQNAIV-UHFFFAOYSA-N 342.439 2.754 0 50 EFAA OCCn1nc(C2CCCC2)nc1-c1cnn(Cc2ccccc2)c1 96133673 XFSKSWIBUQVMLB-UHFFFAOYSA-N 337.427 2.840 0 50 EFAA CN(C)C[C@@H]1COCCN(Cc2cc(O)c3cccc(Cl)c3n2)C1 92036881 RFATYAVLNZDEIY-ZDUSSCGKSA-N 349.862 2.604 0 50 EFAA Cc1ccc(F)cc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 92028371 DWBYWTJSDKOWBV-KUHUBIRLSA-N 335.419 2.774 0 50 EFAA CCCOC[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)C1 92028069 XFCMUFOHHJUJBT-AWEZNQCLSA-N 343.427 2.974 0 50 EFAA CCCn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1C 95352676 KSIDZEZJZJSCJL-QZTJIDSGSA-N 344.503 2.938 0 50 EFAA O=C(Nc1cccc(-c2cnco2)c1)N1C[C@H]2CCC[C@@]2(CO)C1 95529651 QZHSKOMQIIOOGW-KDOFPFPSSA-N 327.384 2.968 0 50 EFAA O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239339038 LPMJXZCKUWKSPX-KKOKHZNYSA-N 328.151 2.586 0 50 EFAA CC[C@H](C(=O)Nc1nccs1)N1CCC(Cn2ccnc2C)CC1 240228063 KFOJRQKSZGYMCU-OAHLLOKOSA-N 347.488 2.777 0 50 EFAA O=C(O)c1ccc(CNC(=O)[C@H]2CSc3ccccc3O2)cc1 299752482 UGJDBOYUJBARGD-CQSZACIVSA-N 329.377 2.554 0 50 EFAA C[C@H](Cc1cnccn1)N(C)CCC(=O)NCc1cccc(Cl)c1 252492071 MBURRWBXLZBSQQ-CQSZACIVSA-N 346.862 2.699 0 50 EFAA O=C(Nc1c(F)cccc1F)NC1CCN(c2cnccn2)CC1 299770061 QFNXCAQNLBGAQP-UHFFFAOYSA-N 333.342 2.545 0 50 EFAA O=C(O)[C@]12CC[C@H](c3ccccc3)C[C@H]1CN(Cc1cncnc1)C2 299787379 WHUGHLLFMOPRRU-BJLQDIEVSA-N 337.423 2.947 0 50 EFAA COc1ccc(OC2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cc1 299782052 FJBHISBCXZOQDP-UHFFFAOYSA-N 343.379 2.640 0 50 EFAA CCCc1ncncc1C(=O)Nc1ccccc1CN1CCOCC1 823018929 HCPPIDSIQXESET-UHFFFAOYSA-N 340.427 2.514 0 50 EFAA O=S(=O)(Nc1cccc2cccnc12)N1CCC(F)(F)CC1 1875281271 ZEPDOIDSJFYNOS-UHFFFAOYSA-N 327.356 2.623 0 50 EFAA O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccsc1 1875357696 SIHQPSXCKPOINB-INIZCTEOSA-N 333.434 2.913 0 50 EFAA Cc1ccc([C@@]23C[C@H]2CN(c2ccc(-c4ccnn4C)nn2)C3)cc1 1875395434 XMNBZHBKXJVUBL-JXFKEZNVSA-N 331.423 2.963 0 50 EFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccccc1C1CCC1 1875401355 VNHDHKPWYYTEQT-GDIGMMSISA-N 339.439 2.720 0 50 EFAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCC(=O)N1CCCC1 952986220 YWHWEICIMKDAJR-QGZVFWFLSA-N 340.423 2.930 0 50 EFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Cc1cnc2c(C)cccn12 952972847 MHYBZACWNIMCOK-UHFFFAOYSA-N 339.443 2.616 0 50 EFAA CC(C)CC(=O)N1CCCN(c2ncnc(-c3ccccc3)n2)CC1 884575920 WCLBIBXUEZRJQS-UHFFFAOYSA-N 339.443 2.623 0 50 EFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N(Cc5ccco5)Cc5ccco5)[C@H]1[C@H]3[C@@H]42 669695058 ZMLXSNKONMOVPB-LCYFIKDZSA-N 349.386 2.728 0 50 EFAA CC(C)c1noc([C@H](NC(=O)c2cscn2)C2CCOCC2)n1 275276817 JXHGPNOHLXDMMA-GFCCVEGCSA-N 336.417 2.547 0 50 EFAA CCc1nc(CC(=O)NC[C@](C)(O)c2cccc(Cl)c2)cs1 170596251 NNWPORYPFFLPHC-INIZCTEOSA-N 338.860 2.925 0 50 EFAA O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@@H](N2CCCC2)C1 171452111 MZTFBHVVPOAGFP-MRXNPFEDSA-N 331.847 2.991 0 50 EFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1Cn1ccnc1 408473764 UIFBLPXBVDFAPE-MOPGFXCFSA-N 341.455 2.999 0 50 EFAA CCc1cc(C(=O)NCCN2CCc3ccccc3C2=O)oc1CC 190192963 SIGOUHWESNADEG-UHFFFAOYSA-N 340.423 2.833 0 50 EFAA CCc1nc2c(s1)[C@@H](N(C)C(=O)Cn1ccc(C)cc1=O)CCC2 194857956 ZUERFZYYVAAPGH-AWEZNQCLSA-N 345.468 2.712 0 50 EFAA Cc1cccc(NC2CCN(C(=O)c3csc(CCN)n3)CC2)c1 194838215 CIPAOXQCSWPKOO-UHFFFAOYSA-N 344.484 2.669 0 50 EFAA O=C(O)c1cc2cc(CN3CCC[C@H](n4cncn4)C3)ccc2o1 652410228 NVTXNLAEEUGJBQ-AWEZNQCLSA-N 326.356 2.560 0 50 EFAA CCc1nnc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1C 195070124 WWIWIUHBSFLSQG-ZDUSSCGKSA-N 325.416 2.898 0 50 EFAA COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1OC 1529172838 QBFKSKQAGJTLHQ-WOJBJXKFSA-N 343.423 2.638 0 50 EFAA Cc1nc(C(C)C)sc1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704349594 SODJFFMBFUIIME-CABCVRRESA-N 345.468 2.646 0 50 EFAA CN(C[C@@H]1CCCCO1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 12055688 WUAFFGMCGMNGFR-DLBZAZTESA-N 334.391 2.541 0 50 EFAA CN1CCC[C@@]2(CCN(C(=O)CCCc3ccc(F)cc3)C2)C1=O 12454954 QCNBGULFJNCQAC-IBGZPJMESA-N 332.419 2.619 0 50 EFAA CC(=O)c1ccc(N2CCN(C(=S)NCc3ccco3)CC2)cc1 13496759 SYZQHUKSCGIXGW-UHFFFAOYSA-N 343.452 2.679 0 50 EFAA O=C(C(=O)N1CCc2onc(-c3ccccc3F)c2C1)c1ccco1 19742002 LULCIRDBNQBDNM-UHFFFAOYSA-N 340.310 2.841 0 50 EFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1ccn2nccc2c1 1857728117 OILDOJYPLUECIB-INIZCTEOSA-N 334.423 2.933 0 50 EFAA O=C(c1cc(F)cc(Cl)c1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1875250654 UZMPMKFPHMRYNO-CJNGLKHVSA-N 334.778 2.550 0 50 EFAA O=C(c1cc(C2CC2)no1)N1CCNC[C@H]1c1cccc(Cl)c1 423613015 QOJSRPXWMNZYAM-HNNXBMFYSA-N 331.803 2.992 0 50 EFAA O=C(O)c1ccccc1OCCN1CCO[C@H](Cc2ccccc2)C1 328599435 RWMZYDDPHPGCIN-QGZVFWFLSA-N 341.407 2.707 0 50 EFAA CC[C@](C)(O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 123556370 UXYIRFKTOTZEBS-IBGZPJMESA-N 329.444 2.620 0 50 EFAA C[C@H]1CN(Cc2cccc(CNCc3c(Cl)cnn3C)c2)CCO1 130759236 BJQVMQMLTYAJGN-AWEZNQCLSA-N 348.878 2.584 0 50 EFAA CC(C)C[C@@H]1CN(Cc2cnc(N3CCCC3)nc2)CC[C@]1(C)O 248250228 IQBHXYQVOOADPZ-MJGOQNOKSA-N 332.492 2.696 0 50 EFAA CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 136177488 RSXDOUHFSUNKBE-JTQLQIEISA-N 346.324 2.833 0 50 EFAA O=C1C[C@@H](C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CN1 155834202 GTYUTAYKXAOGAT-LLVKDONJSA-N 338.860 2.559 0 50 EFAA Cc1nc(C)n(C[C@H]2CCCN2C(=O)Cc2coc3ccccc23)n1 370543814 LNVIFCKRQHWXBV-MRXNPFEDSA-N 338.411 2.875 0 50 EFAA O=C(O)[C@@H]1CC12CCN(C(=O)CCCOc1cccc(F)c1)CC2 262468148 RUWFRCJZKBNOIR-HNNXBMFYSA-N 335.375 2.698 0 50 EFAA O=C(Cc1cccc(C(F)(F)F)n1)N1c2ccccc2C[C@H]1CO 824860000 VOAOVRQTDRIAJS-ZDUSSCGKSA-N 336.313 2.593 0 50 EFAA Cc1noc([C@@H]2CCN(Cc3cnc(N(C)C)c4ccccc34)C2)n1 930413876 GXTZPULBDWRMHW-CQSZACIVSA-N 337.427 2.982 0 50 EFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(CC(F)(F)F)C(=O)C1 935957876 MMULNABOQFTYPR-UHFFFAOYSA-N 346.349 2.732 0 50 EFAA O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1Cl 100058537 IYDXRYYGRNQATP-LBLXLQPISA-N 331.755 2.740 0 50 EFAA Cc1[nH]nc(NC(=O)CN(C)Cc2cccnc2)c1-c1cccs1 2100483893 ZABCJKUFKNNUOA-UHFFFAOYSA-N 341.440 2.912 0 50 EFAA O=C(CCc1cncs1)Nc1ccc(NC(=O)C2CCC2)cn1 2325781328 FBUPPCDIXCXHMN-UHFFFAOYSA-N 330.413 2.848 0 50 EFAA O=C(O)c1cc(F)cc2c1CCN(Cc1noc3c1CCCC3)C2 2325783319 NNRZISKGGGEVTO-UHFFFAOYSA-N 330.359 2.949 0 50 EFAA CCCN1CCN(C(=O)Cn2c(C)csc2=O)c2cc(F)ccc21 225605125 MEEREBHHJYWJLM-UHFFFAOYSA-N 349.431 2.621 0 50 EFAA C[C@@H](C(=O)N1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 366620 RWPDXRYRUKBNIA-ZDUSSCGKSA-N 344.436 2.750 0 50 EFAA CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1 468081 UBJPYOKYPIVFQH-UHFFFAOYSA-N 329.585 2.966 0 50 EFAA Cc1cccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C 6715881 ZNDMXRCCIVKODS-UHFFFAOYSA-N 348.443 2.953 0 50 EFAA Cc1ccccc1CN(CCN(C)C)C(=O)c1ccc(CO)cc1 55119022 QWGCRJDPFSOEBE-UHFFFAOYSA-N 326.440 2.691 0 50 EFAA CCn1c(CC2CCN(C[C@H](C)c3ccccc3)CC2)nn(C)c1=O 67982866 DYHDNYGHUJLJIR-INIZCTEOSA-N 342.487 2.660 0 50 EFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCn2cccc2[C@@H]1C 102228696 ONNYZGVUHXJIML-SWLSCSKDSA-N 339.395 2.526 0 50 EFAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H]1CCN(c2ccccc2Cl)C1=O 248326532 BYAAMSOURFESRN-SHUKQUCYSA-N 332.831 2.950 0 50 EFAA O=C(Nc1cccc(Cl)c1F)N1CC[C@H](CN2CCOCC2)C1 119769485 LVBBIRMACNZJFA-GFCCVEGCSA-N 341.814 2.665 0 50 EFAA CN(C)c1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1 20202717 ACPQGSAYJQYXBU-UHFFFAOYSA-N 330.476 2.628 0 50 EFAA COc1cccc(C2=CCN(C(=O)c3cnc4n[nH]c(C)c4c3)C2)c1 328587120 KAFCMINHNQADSP-UHFFFAOYSA-N 334.379 2.814 0 50 EFAA Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c1 20103350 XAIVFRXAWIXETM-MRXNPFEDSA-N 334.379 2.829 0 50 EFAA O=C(CNC(=O)NCC1CCCC1)Nc1ccc2nc(S)oc2c1 121135664 KPHAZNLYXGENMO-UHFFFAOYSA-N 348.428 2.544 0 50 EFAA COc1cnc(N2CCC[C@@H]2c2ccccn2)nc1-c1ccnn1C 23506641 FGTFESGMRVYZIA-CQSZACIVSA-N 336.399 2.622 0 50 EFAA CC(=O)N1CCC(CCC(=O)Nc2ccc3nc(S)[nH]c3c2)CC1 121751203 AINVBJJRVQOCDL-UHFFFAOYSA-N 346.456 2.829 0 50 EFAA Cn1nc(C2CCCC2)cc1NC(=O)C1CCN(CC(F)F)CC1 329293236 RLXJVBVLXLMTPY-UHFFFAOYSA-N 340.418 2.993 0 50 EFAA CCN(CCCN(C)C)C(=O)NCCc1c[nH]c2cc(F)ccc12 241693998 QJORHDAPQSTMQO-UHFFFAOYSA-N 334.439 2.833 0 50 EFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)c1 237254338 CWMFABXNLWLUTH-CYBMUJFWSA-N 340.379 2.986 0 50 EFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 237357864 QBUFYLMXOJZYSF-CYBMUJFWSA-N 340.379 2.986 0 50 EFAA NC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 237838499 ZXRYKRBMMSRDMN-STQMWFEESA-N 328.334 2.638 0 50 EFAA COc1cccc(CN2CCN(C(=O)c3ccc(C)s3)CC2=O)c1 77440401 XEBPTHICPHOIQL-UHFFFAOYSA-N 344.436 2.550 0 50 EFAA O=C(CCCn1cccn1)N1CCC([C@H](O)Cc2ccccc2)CC1 77439220 SRFNOFCFEWWGPX-LJQANCHMSA-N 341.455 2.506 0 50 EFAA COC(=O)N1[C@H]2C[C@](C)(Br)[C@@](C)(Br)C[C@H]21 216341380 UMWVRFNGHWUNIB-OFKVWQDRSA-N 341.043 2.907 0 50 EFAA O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(O)cc(C(F)(F)F)c1 356406468 MKOVLLNMCIALSJ-CABCVRRESA-N 343.345 2.981 0 50 EFAA C[C@H](CCc1ccccc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1 257366092 IPJZVRAZCRZVNL-SYNHAJSKSA-N 343.471 2.660 0 50 EFAA O=C1CCCN1CCCC(=O)N1CCC(Oc2cccc(F)c2)CC1 77407430 UECYVFZAHIPXAI-UHFFFAOYSA-N 348.418 2.598 0 50 EFAA c1ccc(N2CCOCC2)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 245358606 ZSYAWSRWXIEWQU-DFQSSKMNSA-N 342.483 2.961 0 50 EFAA CC1([C@@H]2CCCN(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@H]43)C2)OCCO1 245344071 XGGGCGMGKOGHGU-BZZMCLGOSA-N 342.439 2.509 0 50 EFAA CCn1ccc(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)cc1=O 71775635 BNHCLJMTEAFBRR-UHFFFAOYSA-N 336.395 2.531 0 50 EFAA Cc1cc2cc(C(=O)N3CCNC[C@H]3c3nccn3C)oc2cc1C 261754537 PNSOKELAPIRUNN-HNNXBMFYSA-N 338.411 2.570 0 50 EFAA COc1ccccc1[C@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 370763293 IJHHAPUHXSRTET-KRWDZBQOSA-N 336.435 2.507 0 50 EFAA COc1c(F)ccc(CN2CCC[C@H](CN3CCOCC3)C2)c1F 215356158 BQEFWRFIFKXINR-CQSZACIVSA-N 340.414 2.518 0 50 EFAA Clc1cccnc1N[C@@H]1CCOC[C@H]1OCc1cscn1 219012286 BPZGFDCPJVMTSP-CHWSQXEVSA-N 325.821 2.978 0 50 EFAA COc1ccc(OC)c2c1CN(C(=O)c1cscc1C)C[C@@H]2O 175408272 MZBWXQZBWGXIRJ-ZDUSSCGKSA-N 333.409 2.763 0 50 EFAA O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 35686381 AUMOBXNBKKXDQU-LBPRGKRZSA-N 347.777 2.543 0 50 EFAA Cc1cc(C)cc(N2CCN(Cc3cccc4nonc34)CC2=O)c1 72161985 IVRGKOWRCXJACB-UHFFFAOYSA-N 336.395 2.688 0 50 EFAA CC(C)c1nnc2sc(CN3C[C@H](c4ccccc4)CC3=O)nn12 71774990 HBZIREJXHRWMDS-CYBMUJFWSA-N 341.440 2.825 0 50 EFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 17071012 KSRZPBJWXFQPAM-GHMZBOCLSA-N 338.429 2.629 0 50 EFAA Cc1nc(Cl)ccc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 290932732 NOLSLWJLWJYNFE-CRAIPNDOSA-N 330.815 2.939 0 50 EFAA CNC[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 178964799 DAVFUGZQBZCTIF-CQSZACIVSA-N 340.398 2.738 0 50 EFAA Cc1noc([C@@H]2CN(C[C@@H](OC(C)C)c3ccccc3)CCN2C)n1 292841003 NFRBDOWMHBXOOC-ZWKOTPCHSA-N 344.459 2.833 0 50 EFAA CCCN(Cc1nccn1C)C(=O)NCc1nc2c(s1)CCCC2 426722665 QQGNLIUGOHYEKA-UHFFFAOYSA-N 347.488 2.877 0 50 EFAA c1cn(CCOc2ccc(CN3CCN4CCCC[C@H]4C3)cc2)cn1 225418865 KVNFEHYCDQVURW-IBGZPJMESA-N 340.471 2.632 0 50 EFAA O=C(NCCN1CCCC1=O)c1cccc(-c2nc3ccccc3[nH]2)c1 426667010 OUGWLJPYEURGMU-UHFFFAOYSA-N 348.406 2.582 0 50 EFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCc2scnc2C)c1C 220484997 ONMXZMILHGAOOH-JTQLQIEISA-N 348.472 2.777 0 50 EFAA O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCCN(C2CC2)CC1 149115758 CEYGWJBUAVXTTL-AWEZNQCLSA-N 334.847 2.588 0 50 EFAA COc1cnc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cc1O 92078486 BMYYVEVVRMPVOF-DOTOQJQBSA-N 331.460 2.658 0 50 EFAA Cc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc(O)n1 180768462 PVIOICBXACLBAX-IAGOWNOFSA-N 344.386 2.963 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@@]2(C(=O)O)CCCc3ccccc32)on1 95526344 UHJGTQUYPPMABD-IBGZPJMESA-N 342.395 2.919 0 50 EFAA CC(C)=CCN1CCC(c2nnc(CN3CCCCC3)n2C)CC1 96132704 UPZTXKWMQAAWHJ-UHFFFAOYSA-N 331.508 2.947 0 50 EFAA Cc1ccccc1[C@H](CN1CC2(CCNCC2)CCC1=O)N(C)C 91645270 PRIKAWFHTZYVHP-SFHVURJKSA-N 329.488 2.590 0 50 EFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc(F)c(F)c1F 96135705 FSPZRZDYOADJGD-UHFFFAOYSA-N 342.321 2.518 0 50 EFAA CC1CCN(Cc2ccc(C(=O)NCc3n[nH]c4c3CCC4)o2)CC1 244887904 YQGPEQIPRDXSMG-UHFFFAOYSA-N 342.443 2.653 0 50 EFAA CN(C(=O)CCC(=O)N1CCCCCC1)C1Cc2ccccc2C1 252503875 VGXFJEXPUPIMCD-UHFFFAOYSA-N 328.456 2.795 0 50 EFAA CCN1C[C@H](CN(C)C(=O)c2cc(C(F)(F)F)ccc2C)CC1=O 299795141 LAQPCZSHEPOKFQ-LBPRGKRZSA-N 342.361 2.954 0 50 EFAA C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(S(C)(=O)=O)cc1 584899124 JJARZTFGDQVPBK-LLVKDONJSA-N 346.399 2.592 0 50 EFAA COC1(C(=O)N2CC(C)(c3nnc(-c4ccccc4F)o3)C2)CCC1 952893102 RTSQGIBILXQYNJ-UHFFFAOYSA-N 345.374 2.545 0 50 EFAA COc1ccc(C2=NO[C@@H](CN[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)cc1F 952876941 IUMZHSGHCWXQFL-OBQMCUGOSA-N 348.418 2.730 0 50 EFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CCC[C@H]1C1CCNCC1 1875393250 BOUWCBVVOQIHGM-FCEWJHQRSA-N 342.487 2.695 0 50 EFAA CC(C)c1ccccc1[C@@H](C)NC(=O)N1CCc2nc[nH]c(=N)c2C1 1875310021 ZUBXOFKGQGEPME-CYBMUJFWSA-N 339.443 2.841 0 50 EFAA CO[C@@H](C(=O)O)C1CCN(Cc2cc(C)nc3c2CCCC3)CC1 1875305778 IBXLXTFYSWHZQC-GOSISDBHSA-N 332.444 2.580 0 50 EFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 1875373901 UDQQCDNWMMFSSJ-GFCCVEGCSA-N 341.415 2.568 0 50 EFAA O=C(Cc1ccnnc1O)NCc1ccc(Oc2ccccc2)cc1 1875340232 QZLSHIBVMIXRCC-UHFFFAOYSA-N 335.363 2.833 0 50 EFAA O=C(CC1CCNCC1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952980271 PAWOXKYHVFUCPV-SFHVURJKSA-N 332.444 2.963 0 50 EFAA COc1ccc(CNCCN2CCCC[C@H]2CO)c2ccccc12 952984107 ODQFXVBJMIFTCT-KRWDZBQOSA-N 328.456 2.785 0 50 EFAA CN(Cc1cc(Cl)cn1C)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886066057 SBDMMUGGCINHHT-UKRRQHHQSA-N 336.823 2.528 0 50 EFAA O=C(Nc1cc(F)c(F)cc1F)N1CCCC[C@@H]1c1nc(O)n[nH]1 887749679 MDXPCWICTXXLKV-LLVKDONJSA-N 341.293 2.687 0 50 EFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ncc(C3CC3)o2)C1 1775957279 LWHIDLHYLGTVFE-GOEBONIOSA-N 329.400 2.615 0 50 EFAA CCOC(=O)c1cnc(CC)nc1Nc1ccc(OC)c(OC)c1 1413866578 BWVGYPDWGWLLFJ-UHFFFAOYSA-N 331.372 2.977 0 50 EFAA Cn1cc(N2CCC[C@@H](Nc3ccccc3OCC3CC3)C2=O)cn1 170000657 NATZGGMPNUVEHO-QGZVFWFLSA-N 340.427 2.816 0 50 EFAA CC(C)CC(=O)Nc1ccc(NS(=O)(=O)N2CCC[C@H]2C)cc1 170597923 WQKLZHJQNLYSNH-CYBMUJFWSA-N 339.461 2.812 0 50 EFAA CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)C1 170599292 MGGMSIUXJVHLTI-HRCADAONSA-N 340.464 2.565 0 50 EFAA CC(=O)Nc1sc(NC(=O)[C@@H]2CCOC2)nc1-c1ccccc1 187035671 FGXCXLXWINQLNR-GFCCVEGCSA-N 331.397 2.744 0 50 EFAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H](n2cncn2)C1 281166247 CUAAPEDTNUZJEF-XIRDDKMYSA-N 343.406 2.710 0 50 EFAA Cc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)c1C 172268107 CBBFGNJPYFEVEL-FPMFFAJLSA-N 342.361 2.938 0 50 EFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2cc(F)ccc2F)c1 282603754 URUBTLQQPIQVNL-YJBOKZPZSA-N 347.361 2.850 0 50 EFAA COc1ccc2c(c1)[C@H](C(=O)NCc1nn(C)c3ccccc13)CC2 683333026 AVMFYRMDXSCYDD-OAHLLOKOSA-N 335.407 2.928 0 50 EFAA COC(=O)Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)[nH]c2ccccc12 408517920 PGVMQRBUCFBMAZ-LBPRGKRZSA-N 344.411 2.571 0 50 EFAA C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCOCC2)ccn1 189906283 HCECOMKDYNNFOU-OAHLLOKOSA-N 337.423 2.505 0 50 EFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cnns1 191258914 SJUGWYOYZMBWCO-VIFPVBQESA-N 343.239 2.854 0 50 EFAA O=C(Nc1nc(-c2ccccn2)cs1)c1ccn(CC(F)F)n1 194070205 GUDFCCNDRFMZHL-UHFFFAOYSA-N 335.339 2.919 0 50 EFAA CCn1cc(CNC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)nn1 661717657 GNJCWUIZDDILFF-LRDDRELGSA-N 331.395 2.730 0 50 EFAA Cc1ccc([C@@H](C)N(C)c2nc(C)c(S(N)(=O)=O)s2)c(C)c1 669966151 IHNVMAXJRCLDGW-GFCCVEGCSA-N 339.486 2.913 0 50 EFAA CC(=O)NC(C)(C)C[C@H](C)NCc1nc(C)cc(C(F)(F)F)n1 1506421622 KJZKHOBYEUFDKD-JTQLQIEISA-N 332.370 2.587 0 50 EFAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)C[C@@H]21 1704339041 BZEFVFQHGKONHL-HHXXYDBFSA-N 333.428 2.523 0 50 EFAA COc1cc(CN(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C 1772704255 LEGFXBVTPFGPKL-UHFFFAOYSA-N 333.432 2.508 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 1772709011 GEJJNMKKKAHYOD-KDOFPFPSSA-N 334.416 2.645 0 50 EFAA CCOC(=O)N[C@@H](Oc1cc(C)ncn1)C(Cl)(Cl)Cl 5672640 DCZUMEMPYBTOJE-QMMMGPOBSA-N 328.583 2.606 0 50 EFAA CCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCC1=O 12217291 ZYYPVQCGRSIMFP-UHFFFAOYSA-N 334.847 2.843 0 50 EFAA O=C(CSc1nnnn1Cc1ccccc1)Nc1ccccc1F 16447072 KIMKODDMTVVAPI-UHFFFAOYSA-N 343.387 2.591 0 50 EFAA COc1cccc(CC(=O)N[C@H](Cn2ccnc2)c2ccccc2)c1 19145984 IHDRPHXEVRRZHO-LJQANCHMSA-N 335.407 2.992 0 50 EFAA COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)O)C(C)C)s2)c1 206415970 AWSLEOGKZBOYBB-CYBMUJFWSA-N 348.424 2.966 0 50 EFAA COc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccccc2C(=O)O)cc1 1857529232 BIDMVDDMZDAGIE-SJORKVTESA-N 325.364 2.813 0 50 EFAA Cc1ccn(-c2cccc(C(=O)N3NC(=O)C[C@@H]3c3ccccc3)c2)n1 1654089296 NLVIPWUDCYQCET-GOSISDBHSA-N 346.390 2.799 0 50 EFAA O=C1N(CCCOCc2ccccc2)c2ccccc2[C@]12CCNC2 1875250207 FWDLOJVCPXRJHM-OAQYLSRUSA-N 336.435 2.871 0 50 EFAA CC[C@H](C)NC(=O)COc1c(Cl)cccc1CCC(=O)OC 408524959 CROZQUNEZUCEIX-NSHDSACASA-N 327.808 2.739 0 50 EFAA Cc1nnc([C@@H]2CN(C(=O)c3oc4c(C)cccc4c3C)CCO2)o1 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O=C(NC[C@@H]1CCN(Cc2ncc[nH]2)C1)C12CC3CC(CC(C3)C1)C2 67975391 XVFQROIYEKOCJQ-KMYSJOAASA-N 342.487 2.564 0 50 EFAA Cc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)ccc1F 120097957 WSLNTPJJZHPBGS-UHFFFAOYSA-N 348.466 2.814 0 50 EFAA Cc1ccn2ncc(C(=O)NC[C@@H](C)Oc3cccc(F)c3)c2c1 347166178 OADXRQUJOJUCRN-CYBMUJFWSA-N 327.359 2.979 0 50 EFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCOc1ccc(F)cc1 328633980 SZCSWXQANVXJTH-WMZOPIPTSA-N 333.407 2.675 0 50 EFAA C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CCC(=O)c3ccccc31)C[C@@H](C)O2 329109266 PWBVQCSFAOOBRK-HXFPYSNGSA-N 343.423 2.542 0 50 EFAA C[C@@H](c1nnnn1C1CCCCC1)N1C[C@H](N2CCCC2)C[C@H]1C 329206457 YEBDBACAYPOXIF-HLLBOEOZSA-N 332.496 2.798 0 50 EFAA Cc1ncsc1CN(Cc1nccn1C(C)C)C[C@@H]1CCNC1 435737594 JSOLWBRHIWTSRC-OAHLLOKOSA-N 333.505 2.841 0 50 EFAA COC(=O)c1cnc(O)c(NC(=O)[C@@H]2CCCc3ccccc32)c1 241515570 OGHJHWUMSUPMPI-CQSZACIVSA-N 326.352 2.632 0 50 EFAA CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 124912448 ALZLRUUMQLNXLT-GDBMZVCRSA-N 339.457 2.513 0 50 EFAA 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333.750 2.971 0 50 EFAA O=C1C=C[C@@H]2C=C(S(=O)(=O)Oc3ccc(Cl)cc3)C=C[C@H]2O1 1875323170 ZXHHURBYOGRSPM-QMTHXVAHSA-N 338.768 2.600 0 50 EFAA O=C(c1cnc(-c2cccnc2)s1)N1CCOC[C@H]1CC1CC1 886467543 GKFGQQLFWBNKEX-CQSZACIVSA-N 329.425 2.846 0 50 EFAA CC(C)(O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC1CC1 1775993820 LIWVRHHQTXPNEF-GJZGRUSLSA-N 326.481 2.773 0 50 EFAA COCc1ccc(CNC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1F 1775988210 BTOZJBQBRLTEOJ-HNNXBMFYSA-N 347.394 2.527 0 50 EFAA CCCc1cccc(CN2CCC(Cc3cnn[nH]3)(C(=O)O)CC2)c1 1776002984 OZJJBUXAFLSSTF-UHFFFAOYSA-N 342.443 2.667 0 50 EFAA CCc1cncc(C(=O)N2CC3(CCN(CC4CC(F)(F)C4)C3)C2)c1 1365529661 UFUULTAHSAKALP-UHFFFAOYSA-N 349.425 2.837 0 50 EFAA COC1(OC)CCOC[C@H]1CCNCc1ccc(SC)cc1 1474271475 QSCMMZRVORMVEB-OAHLLOKOSA-N 325.474 2.914 0 50 EFAA Cc1ccc2c(CC(=O)NC3CCN(CC(F)F)CC3)c[nH]c2c1 170616454 NLYNJGZEVXCNJV-UHFFFAOYSA-N 335.398 2.865 0 50 EFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCCC[C@H]1C1OCCO1 170625340 SRLBIQSSHYWHAW-HOTGVXAUSA-N 346.427 2.674 0 50 EFAA Cc1cccc(CN2CCN(c3nc(N)c4ccccc4n3)CC2)c1 301889485 QKTJUBCWBLQEHP-UHFFFAOYSA-N 333.439 2.843 0 50 EFAA CC(C)(CNC(=O)Cc1cncs1)c1ccc2c(c1)OCCO2 188416769 JDFVTYPJDPRJHC-UHFFFAOYSA-N 332.425 2.551 0 50 EFAA C[C@@](O)(CC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1 305821736 OZZQREXBLWENPU-HXUWFJFHSA-N 335.407 2.786 0 50 EFAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 408473696 DINSLJPJXYAFBA-RHSMWYFYSA-N 331.460 2.741 0 50 EFAA C[C@H]1C[C@H](C)CN(CCSc2nnc(-c3cccnc3)n2C)C1 408523811 NREMYUBBNRUMMD-KBPBESRZSA-N 331.489 2.947 0 50 EFAA C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)Cn1cccn1 221842371 VITPDRYPZHHNEO-BPQIPLTHSA-N 342.443 2.739 0 50 EFAA O[C@@H](COc1ccc(Cl)cc1)CN1CCC[C@@H]1c1ncccn1 639839051 HETOYSXYVHDAOF-GDBMZVCRSA-N 333.819 2.707 0 50 EFAA O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCc2cc(Cl)ccc2C1 189600057 UAWONVFEDULYMB-OAHLLOKOSA-N 330.819 2.688 0 50 EFAA Cc1cc2c(N3CCN(CC[C@H]4CCCO4)CC3)ncnc2s1 190071819 VBDPDZDRRAJTAK-CQSZACIVSA-N 332.473 2.691 0 50 EFAA Cc1nn(-c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)c(C)c1Cl 191366427 XHWZPPGNIHAGBD-CQSZACIVSA-N 332.835 2.706 0 50 EFAA O=C(Nc1cnns1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 192218448 VKUPOQODYFKRBE-SNVBAGLBSA-N 349.391 2.560 0 50 EFAA CN(c1ccccc1NC(=O)c1ccoc1Cl)S(C)(=O)=O 192339075 QAUCUOSJHOJHLG-UHFFFAOYSA-N 328.777 2.581 0 50 EFAA COC(=O)c1c[nH]c(S[C@@H]2CCCN(c3ccccc3F)C2=O)n1 193553009 YCTGJFMKERXZHN-CYBMUJFWSA-N 349.387 2.623 0 50 EFAA Cc1ccc(-c2c[nH]cc2C(=O)N2CCN(CCO)C(C)(C)C2)s1 682010176 FASOFLSABJFMQW-UHFFFAOYSA-N 347.484 2.580 0 50 EFAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1cscn1 1260768822 GQMWNYCELRYEMU-UHFFFAOYSA-N 326.443 2.589 0 50 EFAA Cc1ccc(N2CCC(NCc3nnc4n3CCC4)CC2)cc1Cl 1506399289 MADDGTKSQWRMMA-UHFFFAOYSA-N 345.878 2.945 0 50 EFAA CCCn1ncc(C)c1NC(=O)c1ccccc1N1CCOCC1 1506420175 WZUFSYUFZDBVHG-UHFFFAOYSA-N 328.416 2.690 0 50 EFAA C[C@@H](Oc1ccccc1Br)C(=O)NCc1cccnc1 12380712 HWRZGIIILWDZLX-LLVKDONJSA-N 335.201 2.928 0 50 EFAA COC(=O)CCC(=O)N1CCC[C@@H](CCc2ccc(OC)cc2)C1 12385907 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CCCCCCOC(=O)[C@@H]1C[N@@]1[C@@H](Cc1ccccc1)C(=O)OC 1857741692 ZYGMIKNTEYHYNG-ZWOKBUDYSA-N 333.428 2.578 0 50 EFAA CCc1cc(N[C@H]2CCCN(c3ccccc3F)C2)n2ncnc2n1 301863409 GLKZKCVZANAVTK-AWEZNQCLSA-N 340.406 2.907 0 50 EFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn(C)nc1C(F)(F)F 408474418 VWHMMELOCMRMFT-RYUDHWBXSA-N 333.354 2.506 0 50 EFAA Cn1ccnc1[C@@H]1C[C@@H](N=c2nc(C3CCCC3)[nH]s2)CCO1 333742111 XSOVDUYCTDSUDZ-STQMWFEESA-N 333.461 2.683 0 50 EFAA C[C@@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc2ccccc2c1 239882062 DACSASYHJAODPS-CXAGYDPISA-N 346.452 2.729 0 50 EFAA CCn1nccc1CN(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 352350020 OHQLRZLRCFUEHN-ZDUSSCGKSA-N 334.851 2.866 0 50 EFAA Cc1nc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c(C)o1 253417032 GSVLAFYNMBBZBM-XJKSGUPXSA-N 347.802 2.647 0 50 EFAA COCc1csc(NC(=O)N[C@@H](CCO)C2CCCCC2)n1 151171120 NDFZAOWZUSAUIN-ZDUSSCGKSA-N 327.450 2.742 0 50 EFAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C12CCCCC2 366841841 IKDMHRCMSVFHAO-ZACQAIPSSA-N 349.475 2.694 0 50 EFAA 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2.677 0 50 EFAA Cc1c(C(=O)Nc2ccc3ccn(C)c3c2)nnn1Cc1ccncc1 350075344 IZFMINWQFIPHFI-UHFFFAOYSA-N 346.394 2.774 0 50 EFAA O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1cscn1 433229836 SMZJSDPMUTZUQS-QWRGUYRKSA-N 325.434 2.547 0 50 EFAA CCc1ccc(O)c(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1 332138018 QMFJRGHYFMXSLY-HNNXBMFYSA-N 339.439 2.869 0 50 EFAA O=C(Nc1ccc(-n2cnnn2)cc1)N1CC[C@@H]1Cc1ccccc1 443819080 UYBXBRPFTSAHLC-QGZVFWFLSA-N 334.383 2.511 0 50 EFAA CSc1nc(C(=O)NC[C@@H]2CC(=O)N(C)c3ccccc32)cs1 215775909 FUJPBJDNZPLOKS-JTQLQIEISA-N 347.465 2.745 0 50 EFAA Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1 4025098 QEVBBQTVOGFTSW-UHFFFAOYSA-N 336.395 2.571 0 50 EFAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1cc(COc2ccccc2F)on1 239672626 BUGUQTHPZFXCHX-XWCIJXRUSA-N 348.374 2.822 0 50 EFAA CC[C@@H]1CCCCN1CCNC(=O)N(CC)CCCN1CCCC1 252491028 LIVPWUZGYQLDFM-GOSISDBHSA-N 338.540 2.768 0 50 EFAA O=C1NC[C@@]2(CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)O1 72167870 QIAUBAVKUOPNSK-IBGZPJMESA-N 341.411 2.592 0 50 EFAA COc1cccc([C@@H]2CN(CCCCCO)[C@@H]3C4CCN(CC4)[C@H]23)c1 72149286 MHAFGLPQLDGBJT-PWRODBHTSA-N 344.499 2.720 0 50 EFAA O=C(NCCc1cc2ccccc2[nH]1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 241738557 QYOFZQXJBITGCV-CGTJXYLNSA-N 339.439 2.967 0 50 EFAA O=C(NCCC1(O)CCC1)NCc1ccccc1Br 253416287 SBIIBDYRNZYPNL-UHFFFAOYSA-N 327.222 2.553 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2C[C@H]2CC(C)C)cc1 458001783 IRUZMHGWYRDJKD-NXHRZFHOSA-N 344.455 2.851 0 50 EFAA NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 359131097 MBKNFRRNTUYFBN-CQSZACIVSA-N 348.449 2.552 0 50 EFAA Cc1ccc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)o1 174857932 KYNDUJXBGLVBRW-GOSISDBHSA-N 342.439 2.763 0 50 EFAA CC(=O)N[C@@H]1CN(c2cc(C(=O)O)c3ccccc3n2)C[C@H]1C(C)C 77504626 LTODDCLYHXNANW-DOTOQJQBSA-N 341.411 2.530 0 50 EFAA Cc1cc(C)nc(CN(C)C(=O)c2ccc(C(C)C)n(C)c2=O)c1 215269370 MVTKFIKWWHONGQ-UHFFFAOYSA-N 327.428 2.793 0 50 EFAA COc1ccc(C2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)cc1 373080749 PJJMGZCTPSLGCF-UHFFFAOYSA-N 340.423 2.572 0 50 EFAA OC[C@]12CCCN[C@@H]1CCN(Cc1cnc(-c3ccccc3)s1)C2 72146513 GTKYVOYEBAHSMC-IEBWSBKVSA-N 343.496 2.747 0 50 EFAA C[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)n1cccc1 131264449 PXEPSAHKFRTACP-HNNXBMFYSA-N 329.419 2.969 0 50 EFAA CN1CCCN(CC(=O)NC[C@@H](c2ccccc2)C2CCCC2)CC1 223563314 QWUHKMWYNBLXQU-FQEVSTJZSA-N 343.515 2.714 0 50 EFAA CN(C[C@@H](O)CN1CCC(c2noc3cc(F)ccc23)CC1)C1CC1 289985563 XXDBRJSOXMMJSD-MRXNPFEDSA-N 347.434 2.601 0 50 EFAA CCN(C[C@@H]1CCCCO1)C(=O)NCc1c(OC)cccc1OC 426403813 WBQIOSNIOSOIOK-AWEZNQCLSA-N 336.432 2.804 0 50 EFAA COc1ccc(C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1 82170557 AWOBGUYOPDMSIS-UHFFFAOYSA-N 344.455 2.868 0 50 EFAA CC[C@@H](NC(=O)CCCN1CCCCC1)c1cn2cccnc2n1 95359678 KBOHIQOACNVRTA-OAHLLOKOSA-N 329.448 2.563 0 50 EFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cnn2cccnc12 91625161 AAVJOZGMRFNXJA-AWEZNQCLSA-N 346.390 2.966 0 50 EFAA CC1(C)CCc2sc(NC(=O)N[C@H]3CCn4ccnc4C3)nc21 333475247 DVUYKLYXTWTKAE-JTQLQIEISA-N 331.445 2.700 0 50 EFAA Cc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c(F)c1 95504546 NFHYVMOXAFIBDY-OXQOHEQNSA-N 341.382 2.745 0 50 EFAA CCN1CC2(CCC1=O)CCN(C(=O)C1(c3ccccc3)CC1)CC2 91876409 DSTLPELUYQVWTC-UHFFFAOYSA-N 340.467 2.969 0 50 EFAA CC[C@@H]1CN(C(=O)c2nc3ccc(C)cn3c2F)CCN1C(C)C 95379695 CLGMVOWXWZDJFP-CQSZACIVSA-N 332.423 2.727 0 50 EFAA CN(CCCNC1CCN(c2ncccn2)CC1)c1ccccc1 95524247 JHTLEOOGMLEXKS-UHFFFAOYSA-N 325.460 2.562 0 50 EFAA C=Cc1ccc(NC(=O)N2CCC3(CC2)CN(C)CCN3C)cc1 96150977 GMMUSWWVQQYBSK-UHFFFAOYSA-N 328.460 2.573 0 50 EFAA Cc1ccccc1[C@@H](CNC(=O)c1cc(CC(C)C)nn1C)N(C)C 91574958 RYCOLKOKIDCPSG-LJQANCHMSA-N 342.487 2.960 0 50 EFAA Cn1ccc2ccc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)cc21 95383969 ASANSCTWXCOWKU-KRWDZBQOSA-N 347.418 2.993 0 50 EFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCN2c3ccccc3CC[C@H]2C)C1 299740377 ZAMQUXARLLLPGU-SOLBZPMBSA-N 329.488 2.804 0 50 EFAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1c[nH]c2ccccc12 254410755 KHLAISZHHLNBQU-RIMFYDMWSA-N 331.375 2.555 0 50 EFAA CCC[C@](C)(N)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 262664064 IAMOAMCLTAJXLP-SFHVURJKSA-N 326.400 2.790 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 299797196 QINWEFNRHKLSIM-UHFFFAOYSA-N 345.834 2.848 0 50 EFAA Cc1nc(C(=O)N2CCCN(Cc3cccnc3)CC2)c(C)s1 299766638 KJNAUZIOJCJSHO-UHFFFAOYSA-N 330.457 2.503 0 50 EFAA O=C(COCC(F)(F)C(F)F)N1CC[C@@H](Oc2ccccc2)C1 299773269 CFFJNFUFHYEQKK-GFCCVEGCSA-N 335.297 2.583 0 50 EFAA CNC(=O)C1(NC(=O)Cc2ccccc2C(F)(F)F)CCCCC1 299754862 AJTKUKXHCHRTCG-UHFFFAOYSA-N 342.361 2.813 0 50 EFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)OC12CCCC2 828244570 QWLRMGWPGBZEKW-AWEZNQCLSA-N 345.443 2.513 0 50 EFAA C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1coc(CC2CC2)n1 1756821323 MMBHPLXOOPFOBO-PUZDAVHHSA-N 333.432 2.606 0 50 EFAA CCCn1ccc(CN2CCC(c3nc(C(=O)O)cs3)CC2)n1 1875283143 HOJLMVQXMGNKPO-UHFFFAOYSA-N 334.445 2.827 0 50 EFAA Cc1c(O)ccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1C 1875278134 BPEPDNXXFHYRLN-OAHLLOKOSA-N 338.407 2.824 0 50 EFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(c4ccccc4F)C3)n[nH]c21 1875298257 UJNIZFMZYVWIMH-MNOVXSKESA-N 329.375 2.811 0 50 EFAA CN(C[C@H]1CCCC[C@@H]1O)c1ccc2nnc(-c3ccccc3)n2n1 272167512 GGSNNLWPJFIOQU-CVEARBPZSA-N 337.427 2.779 0 50 EFAA CCCCCc1nc(-c2ccc(=O)n(C)c2)n(CC(F)(F)F)n1 952988174 MPSGEOUMUICJPQ-UHFFFAOYSA-N 328.338 2.939 0 50 EFAA Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)nc(C2CC2)n1 886066059 TYZGBHAPQGRYKG-YJBOKZPZSA-N 337.427 2.689 0 50 EFAA COc1ccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1F 886031129 TZLSZCRRQQAITM-SWLSCSKDSA-N 348.340 2.866 0 50 EFAA COC1CCN(Cc2cn(CC[C@@H]3CCCC3(F)F)nn2)CC1 887424649 BEHNQYVRUZGMFD-ZDUSSCGKSA-N 328.407 2.714 0 50 EFAA COc1ccc(Cl)cc1C1(c2noc([C@H]3OCC[C@H]3CN)n2)CC1 888078443 ROBAXGHVBBESJD-HZMBPMFUSA-N 349.818 2.848 0 50 EFAA Cc1cc(S(=O)(=O)N2c3ccncc3N3CC[C@H]2C3)sc1C 1775994359 BFOKLKNPTWIWBT-LBPRGKRZSA-N 335.454 2.548 0 50 EFAA FC(F)(F)c1ccc(N2CCCN([C@@H]3CCCOC3)CC2)nc1 1776002233 GHALFSXMEAOJCU-CQSZACIVSA-N 329.366 2.792 0 50 EFAA O=S(=O)(C[C@H]1CC2(CCC2)CO1)NCCc1ccc(Cl)s1 1414198551 SLGYBYFRAODNPB-LLVKDONJSA-N 349.905 2.823 0 50 EFAA CC(C)(C)c1ccc(S(=O)(=O)CCn2nnc3c2CCCC3)cc1 899905934 MZFHJSBIUJPYCJ-UHFFFAOYSA-N 347.484 2.928 0 50 EFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1c(O)nc(C)c(C)c1C 1565513650 ODPOUWWWAREGJP-HOTGVXAUSA-N 348.443 2.583 0 50 EFAA C[C@@H](CNC(=O)N1CCOC[C@H]1CC1CC1)N1CCc2ccccc21 1477694617 PDZPGVBRADMRDJ-MAUKXSAKSA-N 343.471 2.648 0 50 EFAA Cc1cc(NC(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)no1 275231446 DEVJKSXJSMHQFS-CYBMUJFWSA-N 349.391 2.779 0 50 EFAA NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1F 170613992 AKVNZDHKMZXQGU-UHFFFAOYSA-N 346.742 2.518 0 50 EFAA O=C(NCc1ccc(F)c(CO)c1)c1cccnc1C(F)(F)F 170607684 PYQXLOHMFWTBGJ-UHFFFAOYSA-N 328.265 2.662 0 50 EFAA O=C(N[C@H](C(=O)O)c1ccccc1F)c1ccc(Br)o1 678987502 UFZLUHKTVARWFY-NSHDSACASA-N 342.120 2.737 0 50 EFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCCC2 188460883 PEFSBIBNJSONEG-QEJZJMRPSA-N 346.427 2.890 0 50 EFAA Cc1ccc2c(CN3CC[S@@](=O)C[C@@H](C)C3)cc(=O)oc2c1C 225469381 GJIJWJZLVAPZPM-DAOPMYJZSA-N 333.453 2.610 0 50 EFAA COc1ccc2sc(C(=O)N3CCCN(C)C(=O)C3)c(C)c2c1 189795675 DAIAUHBJULEAHY-UHFFFAOYSA-N 332.425 2.523 0 50 EFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(Cl)cc3c2OCC3)C1 643772667 NMAQFGWGTWTQGP-CABCVRRESA-N 333.819 2.960 0 50 EFAA CC[C@@H](Nc1cncc(C(=O)N2CCCC2)n1)c1cc(C)ccn1 1704337154 XHZMEHSMKHFBSP-CQSZACIVSA-N 325.416 2.979 0 50 EFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4cccc(C)c4o3)C[C@@H]2O)on1 1704297763 CFPHPIZQWSFCOO-ZBFHGGJFSA-N 340.379 2.713 0 50 EFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 13745800 PGUXJARDDYFEFY-DVOMOZLQSA-N 336.457 2.844 0 50 EFAA Cc1ccc([C@H](C)CCN2CC(=O)N(C3CCCCC3)C[C@H](O)C2)o1 14536385 XWIKXERSJXTEMI-CRAIPNDOSA-N 348.487 2.919 0 50 EFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(Cc3c(C)noc3C)C1)CC2 1857709419 WJUPJZACQURLRG-GOSISDBHSA-N 328.416 2.575 0 50 EFAA O=C1C[C@@H]([C@H]2CCCCN2Cc2ccc(Br)o2)CN1 225395212 WOSGHHRHMRKHCL-ZYHUDNBSSA-N 327.222 2.533 0 50 EFAA COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1OCCO 328587006 QHUSYTBDMUMROD-AWEZNQCLSA-N 331.368 2.637 0 50 EFAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nccc(N)n1 131700419 CBAHJSYGAZQKTM-VIFPVBQESA-N 339.226 2.861 0 50 EFAA CS(=O)(=O)c1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 341908105 COMGVPCPJSJERS-LJQANCHMSA-N 343.448 2.722 0 50 EFAA CC[C@H](C)CCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 351639356 CMOHHNKZNPKCTA-ZDUSSCGKSA-N 328.407 2.749 0 50 EFAA OC[C@]1(c2ccccc2)CCCN(c2ncc(Br)cn2)C1 253398174 OMYNQEBEXCHZIN-INIZCTEOSA-N 348.244 2.770 0 50 EFAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)Cc1c(C)n[nH]c1C)CC2 366596825 IFTZKBZMBZKWMI-LBPRGKRZSA-N 327.428 2.766 0 50 EFAA CNS(=O)(=O)c1cccc(-c2ncnc3[nH]c4ccccc4c23)c1 1240776402 GOVGITVCXWILCG-UHFFFAOYSA-N 338.392 2.686 0 50 EFAA CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@]1(C)Cc1cccs1 931755789 BYTZTHYQHPRESQ-MRXNPFEDSA-N 333.461 2.719 0 50 EFAA O=C(NC1CC(F)(F)C1)c1cc(Br)c2nccnc2c1 935645233 ANVRBVTYAKPIHQ-UHFFFAOYSA-N 342.143 2.920 0 50 EFAA Cc1cc(S(=O)(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)c(C)o1 908297528 HLRCVFOJFHRARV-LBPRGKRZSA-N 337.445 2.933 0 50 EFAA CN(C(=O)c1cc(O)cc(OCC2CC2)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100557258 PTXMVOWMSPJTCX-MDBPOYHNSA-N 345.439 2.803 0 50 EFAA COC1(CCN2C(=O)CCN(C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)C2=O)CCC1 2325779793 CZNLOAWDAKWSGI-JONQDZQNSA-N 334.460 2.892 0 50 EFAA C[C@@H]1CC(=O)Nc2ccc(C(=O)NCC3Cc4ccccc4C3)cc2N1 906726493 FJSQZJZBMYSYSM-CYBMUJFWSA-N 349.434 2.974 0 50 EFAA CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 225515044 KRLFEBASHXAORQ-IPMKNSEASA-N 333.520 2.607 0 50 EFAA NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl 178548 VSQFDLZIUKNDSL-UHFFFAOYSA-N 345.207 2.893 0 50 EFAA O=C(OC[C@H]1[C@H](O)CCCN1C(=O)c1ccccc1)c1ccccc1 401597 FFJXGKSTRCOJDS-ZWKOTPCHSA-N 339.391 2.509 0 50 EFAA CN(C)Cc1ccc(Nc2cccc(N3CCN(C)C3=O)c2)nc1 2356135771 SIBUYRDGUSEDOA-UHFFFAOYSA-N 325.416 2.759 0 50 EFAA O=C(NCc1cccc2ncsc12)c1nc2ccccc2nc1O 2356144209 NCPKHKTXPFLFSD-UHFFFAOYSA-N 336.376 2.875 0 50 EFAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 4758798 SCHIXFQIKWKRIF-UHFFFAOYSA-N 325.412 2.699 0 50 EFAA 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CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCCOC2)s1 408411825 KZVQJMPHECXPRO-OAHLLOKOSA-N 345.486 2.667 0 50 EFAA Cc1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(C)o1 408520446 FJYGBOUUUMBTNE-GFCCVEGCSA-N 337.420 2.809 0 50 EFAA CCn1c(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)nc2c(F)cccc21 643857425 YJXXUKWCILPSJS-DOMZBBRYSA-N 343.406 2.880 0 50 EFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 191203577 AXLSATXRPCEWFQ-JTQLQIEISA-N 330.306 2.817 0 50 EFAA COc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(C)c1 644188608 IJRDLSRVQVSRNJ-SUMWQHHRSA-N 329.400 2.624 0 50 EFAA O=C(c1ncccc1Br)N1CCO[C@H]2CCCC[C@@H]21 194891571 BPGNRBNNNOLUJI-RYUDHWBXSA-N 325.206 2.628 0 50 EFAA Cc1ccsc1CNC(=O)c1cc(F)cc(N2CCOCC2)c1 667276301 BKVUDIYAVBYSHF-UHFFFAOYSA-N 334.416 2.962 0 50 EFAA Cc1cc(C)n(C[C@H](C)NCCc2csc(-c3ncccn3)n2)n1 1506425838 DPOXUUZUQFHOGR-ZDUSSCGKSA-N 342.472 2.634 0 50 EFAA Cc1cc(N2CCC[C@@](CO)(CN(C)C)C2)c2cc(F)ccc2n1 1529185350 LKZKEJNSIGYKSY-LJQANCHMSA-N 331.435 2.823 0 50 EFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1ccccc1Cl 1704310000 VRCFVSYBLZFBPT-UHFFFAOYSA-N 348.878 2.895 0 50 EFAA CCC[C@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1N(C)C 219817650 PYNGBTZEECMNHA-BBRMVZONSA-N 346.500 2.951 0 50 EFAA CCOC(C)(C)C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704280461 UHEOUHXCCOEXPJ-CRAIPNDOSA-N 342.439 2.724 0 50 EFAA Cc1nc2ccccc2n1CC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775980398 WYZJDSNIAIQSPR-HXUWFJFHSA-N 349.438 2.574 0 50 EFAA Cc1ccccc1CC(=O)N1CCC(CCC(=O)NC2CC2)CC1 11661866 NFDOEHPFZFHWQV-UHFFFAOYSA-N 328.456 2.835 0 50 EFAA COc1cccc(CC[C@H]2CCCN(C(=O)CCn3cncn3)C2)c1 11813362 HUGHKQISDQYGDP-QGZVFWFLSA-N 342.443 2.548 0 50 EFAA Cc1cc2ncn(Cc3cc(C(=O)N4CCCCO4)n[nH]3)c2cc1C 12317336 DIAKPFNACSNRRO-UHFFFAOYSA-N 339.399 2.592 0 50 EFAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2C)cc1 16579379 FFEBZACZSFQWMA-UHFFFAOYSA-N 346.452 2.711 0 50 EFAA CC(C)(C)C(=O)N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19315781 NXYYQONZMYUYCX-RKDXNWHRSA-N 331.671 2.614 0 50 EFAA Cc1cc(NC(=O)c2ccc(C(N)=O)c(Cl)c2)cn2ccnc12 1857531532 NKGWLRWZRRPUSE-UHFFFAOYSA-N 328.759 2.647 0 50 EFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1 330546555 ABGFNXOQMQQPDI-SCZZXKLOSA-N 338.713 2.605 0 50 EFAA CCOc1ccccc1OCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 408469447 JDQJNDRIKNCUCF-AWEZNQCLSA-N 344.415 2.644 0 50 EFAA Cc1cccc(CN2CC[C@@H](NC(=O)c3c[nH]nc3C(C)C)C2)c1 634270838 ARDGWCDIRCUOFN-MRXNPFEDSA-N 326.444 2.846 0 50 EFAA C[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 237441354 RHMVLJFHAQQPNI-FXAINCCUSA-N 326.190 2.737 0 50 EFAA COc1cccc([C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)c1 246873863 LORPRGRESRHGDD-SWLSCSKDSA-N 347.440 2.552 0 50 EFAA Cc1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cs1 247947666 IPIDNABUHNLZEN-DOMZBBRYSA-N 348.497 2.531 0 50 EFAA CN(C)Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 348260648 CZVSRBRTJDOFFO-MOPGFXCFSA-N 342.414 2.835 0 50 EFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](OC[C@H]3CCCO3)C(C)C)C2)c1 253599149 AWAWZERRSIZTCV-KURKYZTESA-N 349.475 2.575 0 50 EFAA c1ccc(OCCCN2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)cc1 253595674 HHXCTHAGXMZFNU-ROUUACIJSA-N 338.455 2.846 0 50 EFAA CN(C)c1cccc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)n1 164335423 WCSIDYPATPEXGH-KRWDZBQOSA-N 338.455 2.922 0 50 EFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n1 900874021 XLMXSJSDYJEUNW-UHFFFAOYSA-N 332.367 2.784 0 50 EFAA O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1 932112236 ZHSHEZUUSQCGJX-VIFPVBQESA-N 336.745 2.741 0 50 EFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(O)cc1OC 935401913 KYYOSYLFZLQSBJ-CQSZACIVSA-N 341.411 2.537 0 50 EFAA C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](N(C)Cc2ccccc2)C1 363427320 VAGRLTSYNKFQBY-VQIMIIECSA-N 329.488 2.640 0 50 EFAA Cc1cccnc1N[C@@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O 2244837 XWWMQNAARGEOAT-OAHLLOKOSA-N 334.301 2.637 0 50 EFAA CN1CC[C@H](C(=O)N[C@@H]2CCCC23CCCC3)[C@H](c2cnn(C)c2)C1 2325787038 XSLLYZGJEKMJKM-OKZBNKHCSA-N 344.503 2.685 0 50 EFAA CN(c1nnc(-c2ccon2)s1)[C@@H]1CCN(Cc2ccccc2)C1 2325790278 BIECYADCAHMIBO-CQSZACIVSA-N 341.440 2.904 0 50 EFAA O=C(N[C@@H](C(=O)O)c1ccc(F)c(F)c1)c1n[nH]c2ccc(F)cc12 2325865691 MHGVAKFPQMOONO-CYBMUJFWSA-N 349.268 2.536 0 50 EFAA Cc1cccc2c1[C@H](NC(=O)N1CC(=O)N(CC3CC3)C1)CCC2 2325868848 NBIVOFFPXCDJOG-MRXNPFEDSA-N 327.428 2.594 0 50 EFAA C[C@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)c1ccc(N(C)C)nn1 2325873758 SGPUKEBYKMVESP-MGPLVRAMSA-N 330.819 2.859 0 50 EFAA O=C(c1c(C(F)F)nc2cnccn12)N1CC(Cc2ccccc2)C1 897338805 SSQDTQNIBNBOBR-UHFFFAOYSA-N 342.349 2.982 0 50 EFAA Cc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cccnc1 65742 OZPSMJPHLCBGKF-UHFFFAOYSA-N 344.314 2.936 0 50 EFAA COc1cc(C(=O)Nc2nc3ccccc3n2C)cc(OC)c1OC 235604 SDCYMXKKLIGSOC-UHFFFAOYSA-N 341.367 2.851 0 50 EFAA Cc1nc2n(C)c3ccccc3n2c1C(=O)OCCN1CCCCC1 255157 YIDOBZFFBDJLJS-UHFFFAOYSA-N 340.427 2.777 0 50 EFAA CCOC(=O)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 378035 OZJFHCADTAVDMY-UHFFFAOYSA-N 327.837 2.811 0 50 EFAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(Cc1nccn1C(F)F)[C@@H]3C2 230306651 RIWUJTMMQXBDIJ-UEKVPHQBSA-N 345.415 2.619 0 50 EFAA CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 2961057 IQBMCZYDDMYPTG-UHFFFAOYSA-N 346.452 2.635 0 50 EFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cccc2ncsc12 2356157218 FURUWYCRBOMLTJ-HNNXBMFYSA-N 337.404 2.787 0 50 EFAA COC(=O)c1coc(CN2CC[C@H]3[C@@H]2CCN3CC2CCCCC2)n1 2356158548 OMMIPMKAOFLMKZ-IRXDYDNUSA-N 347.459 2.690 0 50 EFAA O=C(Nc1cnc2ccccn2c1=O)c1ccccc1OC(F)(F)F 2356169180 WFMFEGCXCNFRRA-UHFFFAOYSA-N 349.268 2.845 0 50 EFAA O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(F)cc1 4834487 HEJLELRFILNMEI-UHFFFAOYSA-N 341.136 2.550 0 50 EFAA Cc1ccc([C@H]2COCCN2C(=O)c2cc3c(s2)CCOC3)o1 116704565 ITYXJNMHSAYKPW-CYBMUJFWSA-N 333.409 2.936 0 50 EFAA Cc1ncc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)s1 20598844 YLOSJSDRNOLJMD-AWEZNQCLSA-N 337.514 2.582 0 50 EFAA O=C(Cn1cncn1)Nc1ccccc1OCCCc1ccccc1 55270059 LOZCMACSDJGBSL-UHFFFAOYSA-N 336.395 2.928 0 50 EFAA O=C(CN1CCN(Cc2cccc(F)c2)CC1)Nc1ccccc1F 20508048 RGJQXVCMROIOMI-UHFFFAOYSA-N 345.393 2.721 0 50 EFAA CN1CC[C@@]2(CCN(c3cc(-c4ccccc4)nc4ccnn34)C2)C1 72130812 NEJVBUZQTHSGGL-HXUWFJFHSA-N 333.439 2.928 0 50 EFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 229509712 UYJFYBRYUCLPPB-WDYCEAGBSA-N 340.423 2.871 0 50 EFAA Cc1cccc(CN2CCC(N3C(=O)N4CCC[C@]4(C)C3=O)CC2)c1 328587074 OYJCZVXDHVTPSJ-HXUWFJFHSA-N 341.455 2.776 0 50 EFAA Cc1csc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)n1 328621508 HTRCWISIMQJLRY-GOEBONIOSA-N 348.472 2.965 0 50 EFAA O=C1C[C@@H](c2cccc(-n3cccn3)c2)c2c(nc3sccn23)CN1 65431258 IBHCQLJNQZTMPO-AWEZNQCLSA-N 349.419 2.733 0 50 EFAA CCCn1ncc(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2C)c1C 65381609 LECWJGXHLSUKHG-LBPRGKRZSA-N 346.406 2.806 0 50 EFAA CC(C)Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)cc(O)n1 331997731 VCIXDFVYUKBWQW-ZWKOTPCHSA-N 340.423 2.934 0 50 EFAA CN1CCN(CC2CCN(Cc3ccc4ccccc4n3)CC2)CC1 215938273 AGZVIGWDGJYORE-UHFFFAOYSA-N 338.499 2.694 0 50 EFAA Cc1ccc(OCn2ccc(C(=O)Nc3cnn(C)c3C)n2)c(C)c1 2800607 OUVKJPNRBAWJKN-UHFFFAOYSA-N 339.399 2.831 0 50 EFAA CCO[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)C12CCC2 333431827 NPSFQRFHXSTYCU-JHJVBQTASA-N 337.432 2.689 0 50 EFAA C[C@@H](Cc1ccccn1)N(C)C(=O)C1CCN(Cc2ccco2)CC1 219903266 UCBBFUOOZHNIST-INIZCTEOSA-N 341.455 2.976 0 50 EFAA Cc1ccc(CN2CC[C@@H](NC(=O)c3cc4occc4[nH]3)C2=O)cc1 252491529 LNWIQMLGAKMEKS-OAHLLOKOSA-N 337.379 2.600 0 50 EFAA O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC1CCCC1 71761033 PKQCASHSHLYVDL-UHFFFAOYSA-N 339.439 2.722 0 50 EFAA COC[C@H](NC(=O)c1cc(CN(C)C)on1)c1cccc(Cl)c1 356589848 ASBDWODXTZDWIH-HNNXBMFYSA-N 337.807 2.507 0 50 EFAA CCOC(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)nc1 253417097 RBTOJGSIPMVXDQ-HZPDHXFCSA-N 330.359 2.710 0 50 EFAA CSc1cccc(NC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c1C 253417931 PEMLDTJELIYURC-BBRMVZONSA-N 349.500 2.901 0 50 EFAA Cc1ccc2[nH]c([C@H]3CCCN(Cc4ncnn4CCF)C3)nc2c1 240569376 HABUCWHKKSNKDH-AWEZNQCLSA-N 342.422 2.812 0 50 EFAA COc1ccc2ncn([C@@H](C)[C@H]3COc4ccccc4O3)c(=O)c2c1 32578230 HLICONWFVJBZOB-KPZWWZAWSA-N 338.363 2.806 0 50 EFAA C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CCC[C@H]1C 241630922 PMONLRITBCQAMZ-QZWWFDLISA-N 335.492 2.855 0 50 EFAA COCCCN1C(=O)CC[C@H]2CN(Cc3coc(C(C)C)n3)CC[C@H]21 72410419 CLYHVVXELWGVRO-DOTOQJQBSA-N 349.475 2.647 0 50 EFAA O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 364960415 FBQAKSBOZBHIRX-GOSISDBHSA-N 337.427 2.541 0 50 EFAA Cc1ncc(CN2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)s1 286067682 RTSDQNSRJDEZBK-UHFFFAOYSA-N 332.473 2.861 0 50 EFAA COc1cc(C(=O)O)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 263083509 ZJTOGRSICNAOJB-LLVKDONJSA-N 348.380 2.954 0 50 EFAA CCCN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C[C@H]1C(=O)O 72417745 GFQUKQLRHXVLQX-INIZCTEOSA-N 348.418 2.617 0 50 EFAA CN[C@@H](C)Cc1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 261814025 PZKXEYVYVNIFKS-VIFPVBQESA-N 344.396 2.739 0 50 EFAA CCNC(=O)c1cccnc1N1CCN(c2ccc(C)cc2C)CC1 32593081 YHNCZFHHTLYSKY-UHFFFAOYSA-N 338.455 2.775 0 50 EFAA Cn1ncc(N2CCC(CNc3ccc4ccccc4n3)CC2)cc1=O 77554175 CUJVNQJYHGQDLT-UHFFFAOYSA-N 349.438 2.657 0 50 EFAA O=C(c1ccc(Cl)s1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 159156733 ACKGDDZKXCJUQP-GHMZBOCLSA-N 341.816 2.959 0 50 EFAA O=C(Cn1c(=O)oc2ccccc21)N(CC(F)(F)F)C1CCCC1 177530945 XKJAZOLDAFUZFB-UHFFFAOYSA-N 342.317 2.928 0 50 EFAA Cc1ccc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 44394441 XJLKNDDJTJIQGD-UHFFFAOYSA-N 345.708 2.863 0 50 EFAA COc1ccc(CCNC(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1 426595097 VNCXBZPLTCQPCH-KRWDZBQOSA-N 342.443 2.708 0 50 EFAA C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CCCO1 426403565 RMUCMZLVPPVATL-NSHDSACASA-N 339.823 2.685 0 50 EFAA CC(=O)NC(C)(C)c1noc([C@@H](C)[C@@H]2OCCc3sccc32)n1 293015831 MNCPZMAOUNXCPJ-ZANVPECISA-N 335.429 2.920 0 50 EFAA COc1ccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)o1 223273272 FRGUDOGRWRFHCB-UHFFFAOYSA-N 328.412 2.682 0 50 EFAA CN(C)c1nnc(-c2ccc(NC(=O)N3CCCSCC3)cc2)o1 162323851 FJCCLRBDEJPGRX-UHFFFAOYSA-N 347.444 2.773 0 50 EFAA COCC1(C(=O)N2CCC(Oc3ccccc3OC)CC2)CCC1 82146912 NNMOOHFGFUFASA-UHFFFAOYSA-N 333.428 2.882 0 50 EFAA O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc(Cn2cccn2)on1 293117851 KFJYTJOXYSKMMK-CQSZACIVSA-N 344.415 2.531 0 50 EFAA Cc1ccc2nc([C@@H](C)NC(=O)N3CC(N4CCCCC4)C3)[nH]c2c1 426370634 SSZRNMPUVKUOFL-CQSZACIVSA-N 341.459 2.812 0 50 EFAA O=C(Nc1ccc2c(c1)COC2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 179862266 SNVCONKTHCOLRB-CQSZACIVSA-N 343.427 2.583 0 50 EFAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-n2cnnc2)n1 97823674 CEXSIDYTDFZAPM-QGZVFWFLSA-N 333.395 2.948 0 50 EFAA O=c1cc(N2CCCCC2)cnn1Cc1cncn1C1CCCCC1 95361472 CQOGTDXGFYZORD-UHFFFAOYSA-N 341.459 2.984 0 50 EFAA O[C@@H]1CCCOC12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 95355487 AZLAHJDQIXJHDU-QGZVFWFLSA-N 343.402 2.793 0 50 EFAA OCc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)c1 95496772 UDGQCDRDUDFFAF-UHFFFAOYSA-N 349.438 2.598 0 50 EFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 238012270 ZBBPTTGQTIAOHY-MSOLQXFVSA-N 344.455 2.754 0 50 EFAA COc1ccc2c(c1)c(C(=O)NCCNc1cccnc1)c(C)n2C 97635039 NNSNKINHPDYBFI-UHFFFAOYSA-N 338.411 2.732 0 50 EFAA CC(C)OC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239159685 MPGBRPAZRZFXGY-LLDVTBCESA-N 347.798 2.578 0 50 EFAA COc1cccc2c1OCC(CN(C)[C@H](C)Cc1cnccn1)=C2 97743438 BAQIAGDOVQSOCK-CQSZACIVSA-N 325.412 2.824 0 50 EFAA C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 239591348 BAZIVBZHLURDJK-SCVCMEIPSA-N 331.338 2.560 0 50 EFAA Cc1nccn1-c1ccccc1CNC(=O)c1cn2ccsc2n1 91604197 WOHJSZXFPPXCQL-UHFFFAOYSA-N 337.408 2.820 0 50 EFAA CCCCSc1nc(N)cc(N2CCC(N3CCCC3=O)CC2)n1 95387634 UEONBWFTMQDXFW-UHFFFAOYSA-N 349.504 2.542 0 50 EFAA Cc1cc(S(=O)(=O)NC(=O)C[C@H]2CCOc3ccccc32)c(C)o1 181327473 ARPBKIMQDWNCMF-CYBMUJFWSA-N 349.408 2.658 0 50 EFAA Cc1cc(C)n([C@H](C)CNC(=O)c2cc(-c3ccccc3O)n[nH]2)n1 91650017 BKOWPYIDCMLEMY-CYBMUJFWSA-N 339.399 2.587 0 50 EFAA O=C1N[C@@H](C(=O)NCc2ccc3c(c2)CCCC3)Cc2ccccc21 97436997 VGAHVNOXHDEKHS-LJQANCHMSA-N 334.419 2.536 0 50 EFAA C[C@H](NC[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 248241156 HEBNAYZDCNQROW-CKFHNAJUSA-N 327.380 2.645 0 50 EFAA biogenic CC(C)n1ccnc1C1CCN([C@H](C)C(=O)Nc2nncs2)CC1 244828615 TZJQLXUQUFFWSK-GFCCVEGCSA-N 348.476 2.522 0 50 EFAA O=C(Cc1cccnc1)NC[C@H](c1ccc(F)cc1)N1CCCC1 244795204 RBKZMTAXOQPBSJ-GOSISDBHSA-N 327.403 2.717 0 50 EFAA CC(=O)c1cc(CN(C)Cc2cccc(-c3nnn[nH]3)c2)cs1 240936856 SEZMXFRIPGAGEU-UHFFFAOYSA-N 327.413 2.763 0 50 EFAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 269289204 TXYXOZJWSTVZCK-VDZJLULYSA-N 347.478 2.766 0 50 EFAA CNC(=O)c1cccnc1NC[C@H]1CCN(c2ccccc2F)C1 359966012 IVUSSRCVDGQAKO-CYBMUJFWSA-N 328.391 2.519 0 50 EFAA O=C(NCc1csc(N2CCCC2)n1)Nc1ccc2c(c1)OCO2 299790528 BKECYKHAVZMYFC-UHFFFAOYSA-N 346.412 2.794 0 50 EFAA Cc1ccc2[nH]c(CCNC(=O)CCc3n[nH]c(C)c3C)nc2c1C 299779850 RUEKFIXGYXBCGQ-UHFFFAOYSA-N 339.443 2.811 0 50 EFAA CSCC[C@H](N)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 299775772 KFSZNLLEDVMWCH-KRWDZBQOSA-N 346.500 2.528 0 50 EFAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)nc(C)n1 825264423 GVPPMAZNPQTMGV-CQSZACIVSA-N 330.457 2.549 0 50 EFAA Cc1cc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)nc(C)n1 826588675 QHIMMJYESXRYDG-UHFFFAOYSA-N 328.391 2.631 0 50 EFAA CC(C)C/C=C(\CN1CCO[C@H](C(=O)N(C)C)C1)c1ccccc1 670468123 KOVORNLHYXYECU-MVDPLZLPSA-N 330.472 2.905 0 50 EFAA CON(C)C1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 1875273835 URWBDDKUZVLPDW-FQEVSTJZSA-N 328.456 2.701 0 50 EFAA Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc32)c(C)c1C(=O)O 1875265303 ABTGTVDSOQMXKV-CQSZACIVSA-N 331.393 2.577 0 50 EFAA CN(C)c1ccc(CNC(=O)c2ccc3n[nH]cc3c2Cl)nc1 1875349816 NZFAOLQPNSMEOL-UHFFFAOYSA-N 329.791 2.607 0 50 EFAA Cc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc(N)n2)N(C)C)cc1 952977232 XNEFGLIBDVVBNS-KRWDZBQOSA-N 341.459 2.523 0 50 EFAA COCCn1cnnc1[C@H](C)NCc1ccc(C)c2ncccc12 952984740 ZDSWZQCWIUAWGD-AWEZNQCLSA-N 325.416 2.632 0 50 EFAA Cc1c(CC(=O)N2CC[C@@H](C(F)(F)F)C2)nnn1-c1ccccc1 888008520 ZXWAUAVYOUOLHU-GFCCVEGCSA-N 338.333 2.529 0 50 EFAA CCO[C@H]1C[C@@H]1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1364460324 XHVREPLFVRLVAB-IRXDYDNUSA-N 347.846 2.669 0 50 EFAA Cc1cccc(F)c1S(=O)(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 1365720956 JNVKQRQNMNESHE-LBPRGKRZSA-N 348.399 2.666 0 50 EFAA CC(C)c1noc([C@@H](NC(=O)c2ccncc2F)C2CCOCC2)n1 275493524 ZTMXEYXSBIIHKZ-AWEZNQCLSA-N 348.378 2.625 0 50 EFAA CC[C@H]1OCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCOC 277465627 MAXDWCXXMSETHY-CZUORRHYSA-N 331.416 2.826 0 50 EFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1C 170626460 SEBLXQPBQUZVKX-TZMCWYRMSA-N 348.349 2.982 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCc2ccccn2)[C@H]1n1cccn1 408520672 RIEXAUOYZAITNT-LZLYRXPVSA-N 342.443 2.524 0 50 EFAA CC1(c2ccn(Cc3nc(C(F)(F)F)cs3)c(=O)c2)OCCO1 408515570 FZWAZBGRVMEUOC-UHFFFAOYSA-N 346.330 2.591 0 50 EFAA O=S(=O)(Nc1ccccc1-n1cc(Br)cn1)C1CC1 171335114 KLBDQYJILFEDMY-UHFFFAOYSA-N 342.218 2.539 0 50 EFAA CN(CCc1ccncc1)S(=O)(=O)CCC1Cc2ccccc2C1 225659587 YAKMTGRSIUCUDH-UHFFFAOYSA-N 344.480 2.691 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccoc2C)C1 190512009 UMRVNEWEHYHSIL-AWEZNQCLSA-N 333.457 2.947 0 50 EFAA Cc1[nH]c2ncnc(NCc3ccc(CS(C)(=O)=O)cc3)c2c1C 645130562 JTPLISZWGVPQCH-UHFFFAOYSA-N 344.440 2.731 0 50 EFAA CCn1c(CN2CCN(Cc3cccnc3)CC2)nc2ccccc21 195561844 ARIXOINTLREBIP-UHFFFAOYSA-N 335.455 2.769 0 50 EFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC([C@@H]2CCCO2)CC1 195573827 SDAYCXURQANXOY-UGSOOPFHSA-N 348.491 2.569 0 50 EFAA c1cncc(-c2nc3c(c(NCc4nc(C5CC5)no4)n2)CCC3)c1 768527296 WKIDVAQPTQRSDU-UHFFFAOYSA-N 334.383 2.900 0 50 EFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cccc2c1CCC2=O 1506413610 JCPOHFRLXYQZMX-KRWDZBQOSA-N 348.446 2.944 0 50 EFAA COc1ccccc1-n1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cn1 212034863 CEAQWIDTDNDEGC-YJBOKZPZSA-N 341.411 2.665 0 50 EFAA Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)CC2)c1 110681150 FTNFNOQRAUBSEM-GUDVDZBRSA-N 343.471 2.579 0 50 EFAA Cc1cnc(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)[nH]1 1772818854 MDIKKGJTGJIWGV-UHFFFAOYSA-N 338.411 2.812 0 50 EFAA OCCOc1ccc(-c2nccn2Cc2cccn3nccc23)cc1 1772807532 YLGNHZPUVRYVIC-UHFFFAOYSA-N 334.379 2.617 0 50 EFAA CC(=O)c1cnc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1C 1772706378 RUHKQCDDUGQCGC-JTQLQIEISA-N 333.413 2.564 0 50 EFAA COc1ccccc1OCc1cc(C(=O)N2CCC(OC)CC2)no1 11954323 AYONYDYPHHDHQG-UHFFFAOYSA-N 346.383 2.513 0 50 EFAA O=C(CC[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)NC1CC1 12073346 BGFNMVRMLSGVDT-KRWDZBQOSA-N 328.456 2.917 0 50 EFAA O=C1CC[C@@H](CCNCc2cccnc2)N1CCc1ccccc1F 14884479 XYFMMLQEHFMHNH-SFHVURJKSA-N 341.430 2.934 0 50 EFAA O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2ccco2)CC1 16605712 DIDHNSCPOOMDTG-UHFFFAOYSA-N 336.794 2.959 0 50 EFAA CCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@]3(c3nnc(C)o3)C2)c1Cl 1857531281 DHFHOWKEQNFIKF-MGPLVRAMSA-N 349.822 2.511 0 50 EFAA CO[C@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCC2)CC[C@@H]1N 1857727256 OBQVEISGTMLQRD-WBAXXEDZSA-N 348.462 2.896 0 50 EFAA CCn1ncc(NC(=O)N2CC[C@@H](O)CC(C)(C)C2)c1C(F)(F)F 331462430 NBHBBCIWXSDPHG-SNVBAGLBSA-N 348.369 2.937 0 50 EFAA CC(C)c1cc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)no1 241739141 RAIWQEYUMFAQFI-CQSZACIVSA-N 333.432 2.852 0 50 EFAA Cc1ncc(CNC(=O)c2ccc(OC(C)C)cc2Cl)c(O)n1 457713483 PVTCHKRIMUGXAE-UHFFFAOYSA-N 335.791 2.861 0 50 EFAA Cc1cc(Cn2cc([C@@H](O)c3cccc(C(F)(F)F)c3)nn2)no1 849141663 GLCLLZVCUCLJNC-AWEZNQCLSA-N 338.289 2.723 0 50 EFAA COc1ccc(Cl)c(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 253396907 REECWUATWXOGKX-USXIJHARSA-N 325.836 2.710 0 50 EFAA C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](Cc2cnn(C)c2)C1 363305415 BLLHDUUSDPYGMK-KBPBESRZSA-N 346.862 2.965 0 50 EFAA CC(C)Oc1ccc(CNC(=O)c2ccnc(N3CCCC3)n2)cc1 265698671 JGSPZNGLRYQVJW-UHFFFAOYSA-N 340.427 2.794 0 50 EFAA CCOC(=O)c1cnc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)nc1C 904217700 MKPPSNMPQAQBBE-CQSZACIVSA-N 329.404 2.643 0 50 EFAA CCCOc1nc2ccccc2cc1C(=O)N1CC[C@@H](CNC)C1 911775797 WOCQJNWGGPUEIP-AWEZNQCLSA-N 327.428 2.705 0 50 EFAA COc1nccc(C(=O)N2CCCc3c(OC(F)F)cccc32)n1 820746643 FWWMCWJORYUOEO-UHFFFAOYSA-N 335.310 2.680 0 50 EFAA Cc1nccn1S(=O)(=O)c1cc(Cl)ccc1Br 339981 IYFRVPQWXZCWJJ-UHFFFAOYSA-N 335.610 2.844 0 50 EFAA Cc1cnn(C2CCN(C(=O)[C@H](c3ccccc3)n3cccn3)CC2)c1 2325727864 GINZDPUYTVMWQA-IBGZPJMESA-N 349.438 2.841 0 50 EFAA CCC1(C)CCC(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 2325746336 CVWSEJWGGQSKAB-TVRKMHQQSA-N 348.491 2.961 0 50 EFAA CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCCN(C3CC3)CC2)C1(C)C 2325751507 WYDYPFKXMNVWTC-JKSUJKDBSA-N 337.508 2.848 0 50 EFAA O=C(O)C[C@H](NC(=O)N1CCc2ccccc2C1)c1cccc(O)c1 2325790397 IUYIZYNDLDOCNA-KRWDZBQOSA-N 340.379 2.676 0 50 EFAA Cc1onc(C2CCCCC2)c1C(=O)OCCN1CCOC[C@H]1C 2325861183 IBWKDSCGLREDLN-CYBMUJFWSA-N 336.432 2.908 0 50 EFAA Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccc(C(C)C)nc1 134089064 CMHDSKCGRQKKGU-UHFFFAOYSA-N 340.427 2.997 0 50 EFAA Cc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 858738 LWRKMSIJWZHXTF-CQSZACIVSA-N 332.425 2.788 0 50 EFAA COc1ccc(CCNC(=O)CCc2ccccc2O)cc1OC 2843338 KUTONBDGRNESMU-UHFFFAOYSA-N 329.396 2.701 0 50 EFAA biogenic,in-vitro Cc1ccc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4839869 HMUINUQKPKPGID-OAHLLOKOSA-N 349.477 2.886 0 50 EFAA CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1 4858682 JFHYTJAGZQHVAI-AWEZNQCLSA-N 333.409 2.537 0 50 EFAA O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccn2)CC1 4996295 OEEAFLLRFIFMCC-UHFFFAOYSA-N 347.418 2.962 0 50 EFAA CN(C1CCCCC1)S(=O)(=O)Nc1cccc(CCC(=O)O)c1 322912172 JPZQCYMMDXZPDZ-UHFFFAOYSA-N 340.445 2.625 0 50 EFAA COc1ccc(Nc2nc(N)nc(CN3C[C@@H](C)C[C@@H](C)C3)n2)cc1 9327677 BHCSIGFKSFINLQ-BETUJISGSA-N 342.447 2.684 0 50 EFAA COCCN1[C@H]2CC[C@H]1CC(NCCn1c(C)nc3ccccc31)C2 863982320 BTSHNOQPLGVXDY-ROUUACIJSA-N 342.487 2.576 0 50 EFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(CN2CCOCC2)cs1 247840898 FKJVJQNTQNTRRR-MELADBBJSA-N 335.473 2.740 0 50 EFAA CC(=O)c1c(C)cc(C)c(CN2CCC3(CC2)CNC(=O)C3)c1C 65460299 IYOXNNLOJRELGA-UHFFFAOYSA-N 328.456 2.917 0 50 EFAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc(C)c2ccccc2n1 247979469 WOBZHAINFBVEFH-RBUKOAKNSA-N 338.455 2.914 0 50 EFAA CCN(Cc1ccccc1NC(=O)N1CC[C@@]2(CCOC2)C1)C(C)=O 119972023 XPLHQMYEPIGXDR-LJQANCHMSA-N 345.443 2.699 0 50 EFAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C 425034709 GXMKTJLOVJGOIG-BZNIZROVSA-N 335.448 2.538 0 50 EFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c(OC)c1 348264640 UUBAQWXKHZFFKU-RHSMWYFYSA-N 345.370 2.791 0 50 EFAA Cc1ccc([C@](C)(O)CNC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)o1 239352153 ABGUUZVMXGINBS-DDUZABMNSA-N 338.448 2.546 0 50 EFAA O=S(=O)(NC1CCC(F)(F)CC1)c1cnn(-c2ccccc2)c1 332686812 UGZJUQUMBDEKHW-UHFFFAOYSA-N 341.383 2.729 0 50 EFAA COC(=O)[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@@H](C)O1 283704351 XRUSXQAKWSKHIE-MLGOLLRUSA-N 332.400 2.748 0 50 EFAA CC(C)[C@@H](NC(=O)c1ccc(C(=O)O)s1)c1nc(C2CC2)no1 236662379 SBEXRALAGLHQKS-LLVKDONJSA-N 335.385 2.834 0 50 EFAA Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCC(=O)N(C)C2)cs1 333048144 PTVNFFPLPVCYJU-GFCCVEGCSA-N 344.440 2.861 0 50 EFAA CN(C(=O)C(=O)Nc1cccc(Cl)c1)[C@@H]1CCCc2c1cnn2C 131251972 WNBNJAFDVXYDGL-CQSZACIVSA-N 346.818 2.548 0 50 EFAA CCn1ncc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C 6634205 GTNJTDOSMMCAHE-UHFFFAOYSA-N 337.489 2.706 0 50 EFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc(N3CCCC3)nc1)CC2 241720807 QSLFBUNQPGBCTO-ROUUACIJSA-N 342.487 2.769 0 50 EFAA Cn1nc(-c2cccs2)cc1C(=O)NCCCNc1cccnc1 218790458 QCBIAWDCQIXSPR-UHFFFAOYSA-N 341.440 2.776 0 50 EFAA CCCC1(CNC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 242389667 ZZKRKBDRPXQVHM-BRWVUGGUSA-N 337.508 2.755 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 238086560 ADBIDMURGOSRAO-GFCCVEGCSA-N 334.372 2.562 0 50 EFAA Cc1cccc2c(CCNC(=O)[C@@H]3CC(c4ccncc4)=NO3)c[nH]c12 252484965 GLBWKXUMBYCANQ-SFHVURJKSA-N 348.406 2.723 0 50 EFAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)c2cc(Cl)ccc2n1 72171546 IPXUWIRZSHRDQS-LBPRGKRZSA-N 348.786 2.512 0 50 EFAA CC(C)CN1N=C(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CCC1=O 130715571 BYYNUOWFBGCVBM-UHFFFAOYSA-N 339.399 2.650 0 50 EFAA Cc1csc2c(N3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)ncnc12 253428935 FVQUEEQGFWAXIV-ZIAGYGMSSA-N 343.456 2.826 0 50 EFAA c1cnc(OC2CCN(Cc3cccc(Cn4cccn4)c3)CC2)nc1 216400293 MNHIYKQDHSQLSI-UHFFFAOYSA-N 349.438 2.765 0 50 EFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1COc2ccccc2O1 77375591 RENVCANBYFSJCC-LJQANCHMSA-N 349.390 2.671 0 50 EFAA O=C(c1csc(N2CCCCC2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 77302187 HADKUBDKAFDFES-CYBMUJFWSA-N 345.472 2.876 0 50 EFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N(Cc1ccco1)C[C@@H]1CCCO1 246316080 DYBYQRRMVNQNHY-MLHJIOFPSA-N 348.443 2.928 0 50 EFAA O=C(NCc1cccc(Cl)c1)NCc1ccnc(-n2ccnc2)c1 363440972 CIVFVHLGNNYCNO-UHFFFAOYSA-N 341.802 2.920 0 50 EFAA O=C(N/N=C\c1cccc(O)c1)[C@H]1COc2cc3ccccc3cc2O1 32614387 GTGKYMNPIVLHPS-WVGJEZMVSA-N 348.358 2.836 0 50 EFAA Cc1csc(CCCCNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 246935871 NLVLJZLJHBXUNO-BPLDGKMQSA-N 337.489 2.887 0 50 EFAA C[C@@H](NC(=O)c1cn(C)c2ccccc12)c1cn2ncsc2n1 218860809 SGUCKECYJWXPSM-SNVBAGLBSA-N 325.397 2.774 0 50 EFAA CCOC1CC(CN[C@@H](C)c2cc(C)c(C)o2)(N2CCOCC2)C1 369502609 GRWXRCJWOYDLLW-DMKPSLHHSA-N 336.476 2.817 0 50 EFAA COc1cc(C)c(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc1OC 263152238 NVFHBJDPQILDIS-CYBMUJFWSA-N 335.400 2.872 0 50 EFAA CC(C)NC(=O)CCCC(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 370947736 NVYWJCPTNMWTIG-AWEZNQCLSA-N 348.447 2.696 0 50 EFAA Cc1nc(N)sc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71748606 ZMXLPBILADNNBI-GFCCVEGCSA-N 337.832 2.901 0 50 EFAA Cc1cc(C)n2ncc(CN(C)C[C@@H]3Cc4ccccc4CN3C)c2n1 215454976 UNWBQNPXQGYNEG-FQEVSTJZSA-N 349.482 2.835 0 50 EFAA C[C@@H](c1nncn1C)n1ccnc1-c1ccc(Oc2ncccn2)cc1 72157554 PNSIUFXZFILQNP-ZDUSSCGKSA-N 347.382 2.870 0 50 EFAA Cc1noc(C)c1CCC(=O)N1CCC[C@H](OCc2ccccn2)C1 82106111 WWJSMSRAZZWKPB-KRWDZBQOSA-N 343.427 2.827 0 50 EFAA CC(=O)Nc1cccc2c1CCCN2C(=O)CC1CCN(C)CC1 291499951 PAJIVRDCQQKIBO-UHFFFAOYSA-N 329.444 2.656 0 50 EFAA Cc1cccc(NC[C@H]2CCN([C@H](C)C(=O)NC3CCCC3)C2)n1 225219198 ABXUUVIMEUTFIT-HZPDHXFCSA-N 330.476 2.571 0 50 EFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOc2cccc(F)c21 161574944 RCLLCJAQORMNOP-LLVKDONJSA-N 331.391 2.780 0 50 EFAA CNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)c2)C1 426669177 WSMCUHSTMSHDIT-OAHLLOKOSA-N 349.390 2.703 0 50 EFAA CSc1nc(C(=O)NC[C@@H]2Cc3ccccc3CN2C)cs1 221207925 IOWRNUIQRHKIBX-ZDUSSCGKSA-N 333.482 2.652 0 50 EFAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1 426575049 PSFGDFBJINIPTH-UHFFFAOYSA-N 346.381 2.869 0 50 EFAA COc1cc(CN2CCN(c3ccccc3C)C(=O)C2)cc(OC)c1 82096419 DCUBRDQLWGBKNI-UHFFFAOYSA-N 340.423 2.861 0 50 EFAA CNC(=O)c1cc(C)ccc1NC(=O)Cc1cc(F)c(F)cc1F 162278123 SAFBFQSPOBGOGO-UHFFFAOYSA-N 336.313 2.953 0 50 EFAA COc1cncc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)c1 426740388 HADIVVRCUIHHAJ-IBGZPJMESA-N 337.423 2.581 0 50 EFAA CCc1cnc(-c2cccc(C(=O)N(C)Cc3nnc(C)o3)c2)nc1 426662102 LIIJXULPHZVLDX-UHFFFAOYSA-N 337.383 2.670 0 50 EFAA Cc1ccc(-c2ccccc2CN2C[C@H](N(C)C)C[C@H]2C(=O)O)o1 97578710 VNPPQTLHLDMCQR-WBVHZDCISA-N 328.412 2.844 0 50 EFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc[nH]c4=O)CC3)nc12 95372015 SOMBUJKVWBNGTB-UHFFFAOYSA-N 336.395 2.579 0 50 EFAA CCC1=NO[C@@H](CNC(=O)c2cccc(-n3nc(C)cc3C)c2)C1 96163585 XXPUZHJXRCIJQQ-QGZVFWFLSA-N 326.400 2.774 0 50 EFAA COc1ccc(OC2CCN(c3cc(C(=O)O)ccn3)CC2)cc1 95528394 FYXLZAHMQGKFCO-UHFFFAOYSA-N 328.368 2.836 0 50 EFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)cc1C 91474880 WUUFQPZZEHRVLB-DOTOQJQBSA-N 329.444 2.521 0 50 EFAA CCN(C(=O)Cn1c(=O)ccc2ccccc21)[C@@H]1CCOC(C)(C)C1 95524317 QKFROVWBKKHYQY-MRXNPFEDSA-N 342.439 2.808 0 50 EFAA CCN1CCN(C(=O)Nc2cc(C)c(F)cc2Cl)[C@H](C)C1=O 95521609 ZDKMBSIVCYSEKX-SNVBAGLBSA-N 327.787 2.872 0 50 EFAA Cc1ccc2oc(=O)n(CCC(=O)N(C)Cc3c(C)noc3C)c2c1 244659864 HKADZKSPBPCWTJ-UHFFFAOYSA-N 343.383 2.556 0 50 EFAA Cn1cc([C@@H](Nc2cccc(C(F)(F)F)n2)[C@H]2C[C@@H](O)C2)cn1 244748572 OJWAUAJKXOGTAV-PXWWUCIGSA-N 326.322 2.758 0 50 EFAA COc1ccc(OCCCN2CCC3(CCC(=O)N3C)CC2)cc1 244707928 KKFWNOYFPHWYCB-UHFFFAOYSA-N 332.444 2.551 0 50 EFAA Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(Cl)cc1F 299738728 FQQJFRBUKJOSPZ-GHMZBOCLSA-N 334.844 2.535 0 50 EFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2c(s1)CCCC2 263783078 WEPUMPWKSMFCHQ-UHFFFAOYSA-N 346.500 2.664 0 50 EFAA CCOC[C@H]1CCCN1C(=O)NCc1cccc(OC)c1OCC 534664794 FAWAGOKNUYMNIU-OAHLLOKOSA-N 336.432 2.804 0 50 EFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1nnc3n1CCCCC3)CC2 299776147 KKHNVLGLQQMLBY-CYBMUJFWSA-N 340.427 2.773 0 50 EFAA Cc1ccnc(SCC(=O)NC[C@H]2CCOc3ccccc3C2)n1 299773945 GMBUXAYYIQPUKQ-AWEZNQCLSA-N 343.452 2.635 0 50 EFAA O=S(=O)(NCc1noc(C2CC2)n1)c1cc2ccccc2s1 828388919 NQBKEIPNLYUHAL-UHFFFAOYSA-N 335.410 2.640 0 50 EFAA COc1ccc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)c(C)c1 824624895 RLXQPXAGFYJNOJ-UHFFFAOYSA-N 341.411 2.756 0 50 EFAA CC(C)(O)Cn1nc(Cc2cccc(Cl)c2)nc1CN1CCCC1 670464608 MBACWWJYQDOQCS-UHFFFAOYSA-N 348.878 2.889 0 50 EFAA C[C@H]1C[C@H](C(=O)N2CCN(c3ccc4ccccc4n3)CC2)CCO1 271861380 LLYZSKKBBXIEBF-DOTOQJQBSA-N 339.439 2.699 0 50 EFAA CCC[C@H](OC)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952892202 LIEDZDHSYAXAPT-AWEZNQCLSA-N 347.390 2.791 0 50 EFAA O=C(/C=C/c1cc(CO)cs1)N1CCC(Oc2cccnc2)CC1 952965731 BWGZDNZNIWXVLS-ONEGZZNKSA-N 344.436 2.719 0 50 EFAA CC(C)Cc1cc(C(=O)N[C@H]2CCc3ccccc3C2)nc(O)n1 952872557 RBEJPCDFZDKABK-HNNXBMFYSA-N 325.412 2.668 0 50 EFAA O=C(NC[C@@H]1CCC=CCCC1)NC1CCN(c2cccnn2)CC1 894438627 DPZBWOOQYHMENK-MRXNPFEDSA-N 343.475 2.881 0 50 EFAA Cc1nc(C)c(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)s1 1565515857 LTSNIOKYEPYXMK-KSSFIOAISA-N 344.436 2.823 0 50 EFAA Brc1ccc(CN2CCC(N3CCOCC3)CC2)cc1 19868496 HZZLRXUTSFXSNS-UHFFFAOYSA-N 339.277 2.746 0 50 EFAA CC(C)O[C@@H]1C[C@@H](NC(=O)NCc2cn3ccccc3n2)C1(C)C 274253936 YDCHMWDMHNCTIM-HUUCEWRRSA-N 330.432 2.726 0 50 EFAA CC[C@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2cccnc2)CC1 277040791 PCHGIKGTYPPKKY-DHADLLTHSA-N 332.444 2.533 0 50 EFAA C[C@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(N2CCCC2=O)c1 170090382 MREDBBMNKURODS-QWHCGFSZSA-N 340.431 2.547 0 50 EFAA CC(C)COCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 170118452 GYYOKYCYCQTSQE-CYBMUJFWSA-N 340.851 2.637 0 50 EFAA O=C(NCCn1c(S)nnc1C1CC1)C1C2CC3CC(C2)CC1C3 170641357 WANQYAYOHJNHMR-UHFFFAOYSA-N 346.500 2.633 0 50 EFAA O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2sncc2c1 170607723 GAZCVBRTZJHBGK-UHFFFAOYSA-N 347.346 2.943 0 50 EFAA C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)c1nnnn1C1CC1 170611977 JTGJPDNSLYOFIE-VIFPVBQESA-N 349.826 2.610 0 50 EFAA CCSCc1ccccc1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 280106661 MZWLUHVKWXCJAT-YEJXKQKISA-N 325.499 2.780 0 50 EFAA CCN(CC(=O)O)C1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1 186644084 URDDXSFQRMQEIW-UHFFFAOYSA-N 338.835 2.660 0 50 EFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 187698178 JOFJEAVITDKCOJ-QGPMSJSTSA-N 337.485 2.778 0 50 EFAA Cc1ccc(OCc2nc(CC(=O)N3CCCCN3)cs2)cc1 408516674 NQHICNNFNCTLGK-UHFFFAOYSA-N 331.441 2.700 0 50 EFAA CCc1nc(N)cc(NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)n1 221880790 WTFPKMCDJMQAHW-STQMWFEESA-N 347.488 2.557 0 50 EFAA CC[C@](CNC(=O)CCc1ccccn1)(C(=O)OC)c1ccccc1 412973241 PVTDUCGENXRPAM-HXUWFJFHSA-N 340.423 2.651 0 50 EFAA O=C(c1cccc(O)n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 1506407828 KBDOXKPAYJSMGR-UHFFFAOYSA-N 341.455 2.514 0 50 EFAA COCCN1CC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 1506420552 ISFDITLCIKWEPB-ZDUSSCGKSA-N 349.431 2.856 0 50 EFAA CCc1cc(NCCCc2c(C)noc2C)nc(N2CCOCC2)n1 1529099531 ANKAHMAYGXETDO-UHFFFAOYSA-N 345.447 2.525 0 50 EFAA CC(=O)NCCCC(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529105518 DVJSODZYIMVKJP-MSOLQXFVSA-N 332.444 2.527 0 50 EFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cnc(C)cc1C)C2 219891520 PARBAQNEBVIDAB-SJORKVTESA-N 341.455 2.728 0 50 EFAA Cc1cccc(OCCN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1C 1704345286 WEJZEQWURYACCO-MOPGFXCFSA-N 326.440 2.613 0 50 EFAA O=C(O)c1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1 1772813756 RWSPDBFAXPACEO-UHFFFAOYSA-N 333.347 2.523 0 50 EFAA CCc1nccc(CN2CCCN(C(=O)CC3CCCC3)CC2)n1 1772814923 VIPLEWNFATUNHF-UHFFFAOYSA-N 330.476 2.654 0 50 EFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 1772706452 SARBRSGCYJFONV-UZLBHIALSA-N 345.439 2.931 0 50 EFAA CCOc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 5049186 ZPEWLTORJDDBKT-UHFFFAOYSA-N 329.308 2.734 0 50 EFAA Cc1nc([C@H](C)NC(=O)c2cn(Cc3ccccc3F)nn2)cs1 11844333 OIUPBPKSLIQJRL-JTQLQIEISA-N 345.403 2.721 0 50 EFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 19211551 NIEPMCZJVBAOSR-UHFFFAOYSA-N 348.443 2.641 0 50 EFAA CC(C)(C)c1cn2c3ccccc3nc2n1CCN1CCOCC1 19771421 XQBRQGDODRBFSM-UHFFFAOYSA-N 326.444 2.919 0 50 EFAA Cc1cc(CN2CCC(n3cc(-c4ccsc4)nn3)CC2)[nH]n1 19787213 MCAKOWXAIOKQJM-UHFFFAOYSA-N 328.445 2.875 0 50 EFAA CCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19851732 IPCHIQVNMWSZHV-UHFFFAOYSA-N 336.501 2.680 0 50 EFAA CCn1cc(-n2ccnc2-c2cc3c(cc2OC)OCCO3)cn1 1857678739 ACCUGHHBLVDJFF-UHFFFAOYSA-N 326.356 2.536 0 50 EFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1CCOc1ccccc1Cl 337236829 CLQXVBOCUPIBPX-CWRNSKLLSA-N 325.836 2.581 0 50 EFAA Cc1nc(-c2cc(C(=O)NCc3nc(C(=O)O)cs3)co2)cs1 124140952 RQFFBBWPEWVGDZ-UHFFFAOYSA-N 349.393 2.796 0 50 EFAA C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ocnc2C2CC2)C1 408521816 KHWQOKRLGZGDKM-DGCLKSJQSA-N 334.416 2.992 0 50 EFAA CC[C@H](CNC(=O)C1CCNCC1)Oc1ccccc1C(F)(F)F 121909802 FJQROOVRXKYNEN-CYBMUJFWSA-N 344.377 2.979 0 50 EFAA Cc1noc([C@@H]2CC[C@H](CNCc3ncccc3C(F)(F)F)O2)n1 328626530 LVABNGANPPZSRB-MFKMUULPSA-N 342.321 2.802 0 50 EFAA O=C(NC[C@@H](C(=O)O)c1ccccc1)c1cc2ccccc2c(O)n1 336894451 WFIJJHAJFDRGDC-OAHLLOKOSA-N 336.347 2.539 0 50 EFAA COCCN(C)c1ccc(CN[C@H]2CCOc3c(F)cccc32)cn1 241897192 TWLBQEDCWSOTHI-KRWDZBQOSA-N 345.418 2.917 0 50 EFAA CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1 263017684 ZOXGPFBWBXVWTQ-UBHSHLNASA-N 332.400 2.713 0 50 EFAA Cc1ccccc1[C@H](O)CNC1CCN(C(=O)c2ccco2)CC1 163277063 SBKJKMKOFMWADW-QGZVFWFLSA-N 328.412 2.516 0 50 EFAA CC(C)CN(CCc1ccccc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 914507890 LIGJWFDQLCYBSE-KRWDZBQOSA-N 335.469 2.662 0 50 EFAA O=C(N[C@H](CO)C1CCC1)c1cc(Br)cnc1C1CC1 824752382 GDUUWPPEWRBUTO-CYBMUJFWSA-N 339.233 2.612 0 50 EFAA C[C@@H](O)COC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 829504657 IBHQFDOAVLGJHX-SECBINFHSA-N 338.766 2.691 0 50 EFAA COc1cc2c(cc1Cl)CN(Cc1n[nH]c3c1COCC3)CC2 930585507 QJHBFXVYKRJYLL-UHFFFAOYSA-N 333.819 2.703 0 50 EFAA O=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1 1262723271 KSEUFLFGNQMOQR-UHFFFAOYSA-N 347.422 2.517 0 50 EFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC[C@H](Cn2cncn2)C1 933238126 RZXKREVJGKXQBA-NSHDSACASA-N 338.333 2.907 0 50 EFAA CCc1nc2ccccn2c1C(=O)NC[C@H]1NCCc2ccccc21 2325786564 XVKQNFRMVOAIKI-QGZVFWFLSA-N 334.423 2.514 0 50 EFAA COc1cc(CN2Cc3cccc(C(=O)O)c3C2)cc2c1OCO2 2325787103 BCWGTRLPRUPVSO-UHFFFAOYSA-N 327.336 2.638 0 50 EFAA CN(C(=O)N1C[C@@H]2C(F)(F)C(F)(F)[C@@]2(Cl)C1)c1cccnc1 2325797664 LMKUHGDJMKQEHA-GXSJLCMTSA-N 337.704 2.831 0 50 EFAA CC(C)C1(C(=O)NC[C@H]2CCCN2C(=O)[C@H](C)n2cccc2)CCC1 2325843027 QYGAZVSQZAFTHG-DLBZAZTESA-N 345.487 2.983 0 50 EFAA COc1ccc(-n2nnnc2SCc2ccc(C(=O)O)cc2)cc1 107839 DQMNITOYRRQPON-UHFFFAOYSA-N 342.380 2.661 0 50 EFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F 614463 KTFJSKIITFTJGW-HNNXBMFYSA-N 347.317 2.928 0 50 EFAA CCCCOc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 2497256 AEXZDJIWRBVSQV-KRWDZBQOSA-N 330.428 2.983 0 50 EFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6742219 KKGKJGJVNHIQPH-CVEARBPZSA-N 342.395 2.528 0 50 EFAA O=C(CCNC(=O)c1ccc(F)cc1)NCc1cccc2[nH]ccc12 55154658 SRZUJWFVKSVKOQ-UHFFFAOYSA-N 339.370 2.743 0 50 EFAA CCc1ccccc1N1C[C@H](c2nnc(NC(C)=O)s2)CC1=O 9199783 AFLFFAIMCZMIIK-GFCCVEGCSA-N 330.413 2.579 0 50 EFAA Cc1cc(C)n(-c2ccc(C(=O)NCCc3nccs3)cc2)n1 50467242 KMLOOTMBHRYJQI-UHFFFAOYSA-N 326.425 2.918 0 50 EFAA O=C([C@H]1CCOC1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 20999245 IMIHUTWXXREOAP-CVEARBPZSA-N 325.412 2.819 0 50 EFAA O=S(=O)(c1ccc(CN2C[C@H]3CCCCC[C@H]32)o1)N1CCCC1 230173243 IGKYIIYZMXGVMI-GDBMZVCRSA-N 338.473 2.829 0 50 EFAA F[C@H]1C[C@@H](CNCc2cc3ccccc3o2)N(c2cccnn2)C1 328626873 FOFJAAGYWGXALP-GJZGRUSLSA-N 326.375 2.929 0 50 EFAA CCCO[C@H]1CCCN(C(=O)NCc2nc3ccccc3n2C)C1 65443877 LQATUSHHAXIXBQ-AWEZNQCLSA-N 330.432 2.674 0 50 EFAA CN1CCC[C@]2(CCN(C(=O)CCCc3ccc(F)cc3)C2)C1=O 12454958 QCNBGULFJNCQAC-LJQANCHMSA-N 332.419 2.619 0 50 EFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1CCCCCC1 9691512 JEUNPXYBTGRPPU-YCPHGPKFSA-N 339.505 2.551 0 50 EFAA biogenic O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N(Cc1ccco1)C[C@H]1CCCO1 246316120 DYBYQRRMVNQNHY-XDNAFOTISA-N 348.443 2.928 0 50 EFAA COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H]2CCNC2)cc1OC 237275339 BNQLUYYQIFFNJA-DLBZAZTESA-N 346.471 2.627 0 50 EFAA Cc1c(NCc2ccccn2)cccc1C(=O)NC[C@@H]1CCN(C)C1 67896343 GULMKTKENMHLNV-INIZCTEOSA-N 338.455 2.684 0 50 EFAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)n1C1CCCCC1 237699092 HHRRITDWKGCNGA-MRXNPFEDSA-N 334.416 2.536 0 50 EFAA O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@]2(CCCNC2)C1 67787514 VQTUTEGKEIRJQP-LJQANCHMSA-N 341.480 2.950 0 50 EFAA Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3snnc3c2)cc1 4108227 PLVRRIQMWRUAQC-UHFFFAOYSA-N 348.409 2.510 0 50 EFAA CCc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 6489939 YZLPVYOOVWGIKX-IAQYHMDHSA-N 344.333 2.875 0 50 EFAA O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[C@H](C(=O)O)C1 238095749 FGGJKUNNAZNEDC-ZDUSSCGKSA-N 341.338 2.603 0 50 EFAA CCCNC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72433405 SROKMPOSOACUQW-UHFFFAOYSA-N 338.379 2.552 0 50 EFAA COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1N 35945925 NLBCFSCFNDCVCB-INIZCTEOSA-N 349.228 2.883 0 50 EFAA CC(C)c1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n[nH]1 39557910 NQIXEPGLMGCICI-LJQANCHMSA-N 342.487 2.602 0 50 EFAA Cc1cccc2nc(C3CCN(C(=O)NC[C@H](C)N(C)C)CC3)oc12 459039218 JHYXZVUSAMOOIV-AWEZNQCLSA-N 344.459 2.975 0 50 EFAA CCNC(=O)c1cccnc1N1CCN(c2cccc(Cl)c2)CC1 32507922 PSBZQIFOXXDLSZ-UHFFFAOYSA-N 344.846 2.811 0 50 EFAA O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 240551551 GUPFHHDLNHFNQC-IPMKNSEASA-N 344.455 2.635 0 50 EFAA CN1CCC[C@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1 252517458 JAJIAHNEPVMTFA-HOCLYGCPSA-N 329.444 2.826 0 50 EFAA Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)on1 252453035 XTJQFIPONVJUKP-LEWSCRJBSA-N 332.331 2.796 0 50 EFAA CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 133995985 PBZJFEQCMNTFGU-RBSFLKMASA-N 337.261 2.763 0 50 EFAA Cc1ccc2c(c1)c(C(=O)N1CCC3(CCOCC3)CC1)nn2C 71758918 SGGYMUCSDYTJHN-UHFFFAOYSA-N 327.428 2.915 0 50 EFAA CSc1nc(C(=O)NC2CCN(Cc3cccnc3)CC2)cs1 218840359 DOOKLJKYGGNNPC-UHFFFAOYSA-N 348.497 2.654 0 50 EFAA Cc1cc(Cl)cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 154619462 HFYYUNNYELOLLR-KRWDZBQOSA-N 337.895 2.650 0 50 EFAA CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 365607277 QMTBHPSYNTXFRC-UHFFFAOYSA-N 327.319 2.657 0 50 EFAA Cc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1Br 176836388 BUJWQDSUZRLBFQ-GFCCVEGCSA-N 334.217 2.768 0 50 EFAA Cc1nc(Cl)c(Cl)cc1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 376254005 JCDWMDLENFDZDJ-BONVTDFDSA-N 345.226 2.765 0 50 EFAA CC1CCC(O)(CN2C(=O)O[C@@]3(CCc4ccccc43)C2=O)CC1 376670624 GLUNGDJYNLPQFI-ARHKQHADSA-N 329.396 2.748 0 50 EFAA COc1ccc(/C=C/CN2CCC[C@@](O)(CN3CCCC3)C2)cc1 77489784 ZGNWZEZARBQBCG-PEAOBZDDSA-N 330.472 2.631 0 50 EFAA O=C(O)c1cccc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 263532637 XKMBEAAZPKPPPQ-HNNXBMFYSA-N 341.367 2.509 0 50 EFAA COCc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 72437814 IAMUHGGHJPTUKF-UHFFFAOYSA-N 326.396 2.922 0 50 EFAA Cc1cc(C)c(OCCNc2cc(C3CC(N)C3)nc(N)n2)c(C)c1 220442598 SGYICHJVIMMRDC-UHFFFAOYSA-N 341.459 2.680 0 50 EFAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 179007912 RFMMZZQEOOIWPF-NILFDRSVSA-N 337.261 2.621 0 50 EFAA CCn1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1=O 82114456 FJXUQXSQAZJMJH-UHFFFAOYSA-N 344.386 2.691 0 50 EFAA Cc1ccc(C)c(N2CCN(c3nc(C)nc4c3cnn4C)CC2)c1 178359273 HTRIDXIOVPZHNW-UHFFFAOYSA-N 336.443 2.615 0 50 EFAA COc1ccccc1CN(CCO)C(=O)N[C@H](C)c1ccc(C)nc1 426502897 LMCWSJIFKKOMOZ-OAHLLOKOSA-N 343.427 2.664 0 50 EFAA CCn1ccc(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)n1 20602745 VSDBNACEXGDMCX-UHFFFAOYSA-N 335.473 2.922 0 50 EFAA Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(F)(F)[C@@H](CO)C2)c1 291262458 ODBJPKJFXWIBTI-CQSZACIVSA-N 339.382 2.742 0 50 EFAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCCCN(C)C 426726768 LUXUFTJGLNGSEG-AWEZNQCLSA-N 329.448 2.731 0 50 EFAA c1nc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c2sccc2n1 222563777 UJOAKRHYHZWKKX-OLZOCXBDSA-N 348.453 2.934 0 50 EFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)Cc2cc(C)ccc2C)C1 91605068 AOUBHKAHUSWWTQ-HXUWFJFHSA-N 347.455 2.966 0 50 EFAA CSCCN1CCC(Nc2nc3c(s2)c(C)nn3C)CC1 96180512 SHVMXEYAIDCQDE-UHFFFAOYSA-N 325.507 2.578 0 50 EFAA Cc1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c2ccccc2n1 96165292 QFEFZXLKXUFWJH-SFHVURJKSA-N 340.423 2.689 0 50 EFAA COCc1cc(N2CCC(c3nc4ccccc4n3C)CC2)ncn1 95358479 ALCQCHDXTZLQDW-UHFFFAOYSA-N 337.427 2.894 0 50 EFAA CSC[C@@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 180802641 RGAYNLWESRHZRN-BIGNPOOSSA-N 330.400 2.846 0 50 EFAA Cc1c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ccn1C 91943971 ADIXZLHTXMKTKU-UHFFFAOYSA-N 343.471 2.588 0 50 EFAA Cn1cccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91997485 YKEJKQTYDMYGOK-INIZCTEOSA-N 349.438 2.685 0 50 EFAA O=C(NCc1nc(C(F)(F)F)cs1)N[C@H](CO)c1ccccc1 181194205 CDSDETVVCCRCMO-SNVBAGLBSA-N 345.346 2.695 0 50 EFAA Cc1nc(CN2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 91859639 LMPSXCRFQHTOEW-GOSISDBHSA-N 328.416 2.687 0 50 EFAA O=S1(=O)CC[C@H](c2csc(NCc3ccc(F)cc3)n2)C1 295370892 PGYDPBMHZXJVTF-NSHDSACASA-N 326.418 2.796 0 50 EFAA CSCC[C@H](NC(C)=O)c1ncnn1C1Cc2ccccc2C1 92003717 NFZVRAOQTFAMOW-INIZCTEOSA-N 330.457 2.548 0 50 EFAA Cc1nc(CCNC(=O)c2ccc(-c3cc[nH]n3)cc2)nc2c1CCC2 95386130 KVSAKURWRJPSCJ-UHFFFAOYSA-N 347.422 2.636 0 50 EFAA COc1ccc(F)cc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91656503 COYSMPVGNNIZLM-KUHUBIRLSA-N 337.435 2.834 0 50 EFAA COc1ccc2c(c1)OC[C@@H](Cc1ncccc1C(=O)N(C)C)C2 91643813 JAHWCWRRJSQBGA-CYBMUJFWSA-N 326.396 2.586 0 50 EFAA Nc1nccnc1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 182037210 JONOJCSMGVVOPY-UHFFFAOYSA-N 330.351 2.650 0 50 EFAA CCCSCCNC(=O)N1CCC([C@H](O)c2ccccn2)CC1 534656057 LBGNWDLYONNFJX-INIZCTEOSA-N 337.489 2.680 0 50 EFAA CCc1nn2c(c1C(=O)NCc1ccccn1)N[C@@H](c1ccccc1)C2 263618194 RSMFZVFJUIZGRU-QGZVFWFLSA-N 347.422 2.937 0 50 EFAA CCn1nc(CC(C)C)nc1-c1ccc2nnc([C@H](O)C(C)C)n2c1 1940194654 BQPLKUMTCUKUNV-MRXNPFEDSA-N 342.447 2.896 0 50 EFAA Cc1nc(C)n(CCNC(=O)Nc2ccc3sc(C)nc3c2)n1 299777943 OSYWKNAHVPUEDI-UHFFFAOYSA-N 330.417 2.635 0 50 EFAA Cc1[nH]cc(I)c(=O)c1OCc1ccccc1 40564726 BQVRALHFEDYCJP-UHFFFAOYSA-N 341.148 2.867 0 50 EFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3ccoc3)O2)CC1 299786845 RBIFDORQVIYWEG-KRWDZBQOSA-N 332.444 2.989 0 50 EFAA Cc1nc(N)ncc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 299774712 IAHCUERZRMTCDC-HNNXBMFYSA-N 338.411 2.934 0 50 EFAA CC1=CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1 299770091 OWLRCPJDJZOHPG-UHFFFAOYSA-N 325.368 2.629 0 50 EFAA Cc1ccc(OC2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cc1 299798040 UMUVEXIVBVWISF-UHFFFAOYSA-N 327.380 2.940 0 50 EFAA COCC1(CNC(=O)COCc2nc3cc(F)ccc3[nH]2)CCCC1 299790055 AHDOXCSMTOIXNB-UHFFFAOYSA-N 349.406 2.542 0 50 EFAA COCCc1noc([C@@H]2CCCN2Cc2cc3c(cc2C)OCO3)n1 824462297 AITHJPPIWCHKEF-AWEZNQCLSA-N 345.399 2.633 0 50 EFAA Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)ccc1NC(=O)C(C)(C)C 828250334 AVGLFENPIWDULZ-UHFFFAOYSA-N 344.415 2.526 0 50 EFAA Nc1onc2c1CN(C(=O)C1(c3c(F)cccc3F)CCC1)CC2 1875286395 SJYUECMUAYCXKA-UHFFFAOYSA-N 333.338 2.542 0 50 EFAA O=C(c1cc(O)c2ccoc2c1)N1CCC[C@H]1c1nccc(O)n1 1875338817 MVODMUGMJDTMHZ-LBPRGKRZSA-N 325.324 2.611 0 50 EFAA O=c1c(I)c[nH]c2ccc(Br)cc12 72207180 RTVKEUFMIJMMNH-UHFFFAOYSA-N 349.953 2.895 0 50 EFAA in-vitro Cc1cc2nc(C(=O)Nc3ccc(-c4n[nH]c(C)n4)cc3)cc(C)n2n1 952970375 RMNRFWCELXKOPJ-UHFFFAOYSA-N 347.382 2.692 0 50 EFAA COCc1nc(O)cc(N2CC(c3cccc(C(F)(F)F)c3)C2)n1 894104966 BRWOTXLLBJJFGC-UHFFFAOYSA-N 339.317 2.951 0 50 EFAA COc1ccc2nccc(N3CCN(Cc4cc(C)no4)CC3)c2c1 891618700 USCZXFANPPCZQI-UHFFFAOYSA-N 338.411 2.862 0 50 EFAA CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H]1O 272299405 XCFBRNBYUNSRMT-CVEARBPZSA-N 331.460 2.551 0 50 EFAA O=S(=O)(CCCCF)Nc1c(O)ccc(Br)c1F 1775991439 LUPWYEOSPNVICQ-UHFFFAOYSA-N 344.177 2.785 0 50 EFAA Cc1cc(F)ccc1CN1CCCN(C(=O)[C@@H]2CCCCN2C)CC1 981456571 CXNAEVOLXUSGNT-IBGZPJMESA-N 347.478 2.653 0 50 EFAA Cc1cc(CS(=O)(=O)c2ccc(N3CCCC3=O)cc2)sn1 1364284677 OMPAYOFDFZMVFU-UHFFFAOYSA-N 336.438 2.552 0 50 EFAA Cc1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 1434360242 BWCHPDHVLDUUFL-GFCCVEGCSA-N 338.333 2.641 0 50 EFAA Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cn3)C2)n(C)n1 277956959 RMZXBCOYDNLRMB-CYBMUJFWSA-N 348.838 2.567 0 50 EFAA CCO[C@H](C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 171232763 KUGVHEPVVUMAFE-YJBOKZPZSA-N 343.427 2.937 0 50 EFAA Cc1ccccc1-c1noc(CN[C@@]2(CO)CCc3ccccc32)n1 677986677 SCAXIBRQHXXNCK-HXUWFJFHSA-N 335.407 2.969 0 50 EFAA COC(=O)c1cccc(NC(=O)CCc2cnn(C)c2)c1OC(C)C 281279447 NIGWPSRXDDMABA-UHFFFAOYSA-N 345.399 2.565 0 50 EFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1COc2ccccc2C1 172342333 YKXGBOCHBJEVRD-LLVKDONJSA-N 325.290 2.635 0 50 EFAA CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCC(=O)c1cccs1 678956758 AZJUCPJMPBPWBR-UHFFFAOYSA-N 348.468 2.570 0 50 EFAA Cc1nc([C@H]2CCCCN2C(=O)Cc2cc(F)c(F)cc2F)n[nH]1 408469843 UXHRCBRZBLQDCW-CQSZACIVSA-N 338.333 2.827 0 50 EFAA COCCOc1ccc(CN2CC(O)(c3ccc(F)cc3)C2)cc1 225415458 OFHLZRZGIRHIOS-UHFFFAOYSA-N 331.387 2.554 0 50 EFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCc2ccoc2)C1 190701388 YQIYSKPSKKBZIY-HNNXBMFYSA-N 348.472 2.708 0 50 EFAA CCc1ccccc1C(=O)N[C@H](c1nc(-c2nnc[nH]2)no1)C(C)C 192439233 LMYBSNGSZXKUPG-ZDUSSCGKSA-N 340.387 2.544 0 50 EFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CCc2cc(Br)ccc21 648858864 SIAZQKILESYRNU-OAHLLOKOSA-N 348.244 2.837 0 50 EFAA CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1C 193834486 BGYBNDRTDJAIHH-QGZVFWFLSA-N 342.439 2.576 0 50 EFAA CCc1ccccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 195557806 KMADVJFAYDUFBD-LJQANCHMSA-N 338.451 2.746 0 50 EFAA Cc1cccc([C@H](O)CNC(=O)c2cnn(C)c2Cc2ccccc2)c1 770633198 WZKTWLJHTVOMNF-HXUWFJFHSA-N 349.434 2.783 0 50 EFAA COc1ccc(OCC2CCN(c3nccnc3N(C)C)CC2)cc1 1704340630 KITOHUUYXUDAEN-UHFFFAOYSA-N 342.443 2.847 0 50 EFAA COCCN1CCN(c2cc(C)c3cc4c(cc3n2)CCC4)CC1 1704353004 OONLQWTXTYJNQD-UHFFFAOYSA-N 325.456 2.800 0 50 EFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cccs3)C2)c1 5030562 MJPNZFHRDJIRJO-MRXNPFEDSA-N 346.408 2.575 0 50 EFAA CC(C)(C)c1ccc(OC[C@@H](O)C[S@](=O)c2ccccn2)cc1 5563114 LJMQGOKEKNJUKB-IQMFZBJNSA-N 333.453 2.927 0 50 EFAA COc1ccc(-n2cnc3c(C)nc(-n4nc(C)cc4C)nc32)cc1 13532927 UTCSFSWAWIIHQD-UHFFFAOYSA-N 334.383 2.935 0 50 EFAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCOC3)c12 14879581 VRUIWZZIIULIPU-NSHDSACASA-N 334.445 2.681 0 50 EFAA Cc1cc(-c2nnc(CCC(=O)NCC3(O)CCCCC3)o2)c(C)o1 19112081 LPHUTUVZMAMMJJ-UHFFFAOYSA-N 347.415 2.690 0 50 EFAA Cc1cccc2cc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)oc12 1857712549 CYLZCQQWPBZMQZ-SJORKVTESA-N 336.391 2.812 0 50 EFAA CCCC[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H](C2CC2)O1 1857721246 GMFSAFDRADCUQH-IAGOWNOFSA-N 331.460 2.957 0 50 EFAA CC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)c1 1857721366 LMHCUFFEEGACTA-SQNIBIBYSA-N 345.443 2.508 0 50 EFAA C[C@@H]1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1 225485595 DRPZZEDTKWMOIE-CHWSQXEVSA-N 326.400 2.594 0 50 EFAA Cc1nc(NCCn2cnccc2=O)c2c(CC(C)C)csc2n1 641648582 MOAUVNDHSNMELR-UHFFFAOYSA-N 343.456 2.867 0 50 EFAA CC(C)Oc1ccc(CNC(=O)[C@H]2CCNC2)c(C(F)(F)F)c1 236711090 CIRXILQUGNQSPC-LBPRGKRZSA-N 330.350 2.718 0 50 EFAA CCN(C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)[C@@H](C)CS(=O)(=O)CC 245312469 JKFDIXBVRMFTKX-LJISPDSOSA-N 332.510 2.666 0 50 EFAA CCOC(=O)[C@@](C)(O)CN1CCC[C@@H]1c1nc2ccccc2s1 253428498 LDPQJFGTOAESDK-DYVFJYSZSA-N 334.441 2.747 0 50 EFAA COC(=O)c1cc(CNC(=O)[C@@H](c2ccncc2)C(C)C)oc1C 253419403 RYQUUORFKPPXHD-MRXNPFEDSA-N 330.384 2.826 0 50 EFAA CCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)nc(C)n1 253426561 SOYHSCCVCCBBER-UHFFFAOYSA-N 328.416 2.648 0 50 EFAA Cc1nc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)oc1-c1ccccc1 153563551 DNKCUGIXUVPOOQ-KBPBESRZSA-N 327.428 2.791 0 50 EFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H](C1CCCC1)C(F)(F)F 155195552 IYZMQTKMEVBCGM-QWHCGFSZSA-N 347.381 2.560 0 50 EFAA CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)CNC(N)=O 390834070 RFDZNJVYMOAWRY-UHFFFAOYSA-N 349.431 2.960 0 50 EFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 393097779 DVWYNRSQCUHJTM-AUUYWEPGSA-N 337.375 2.906 0 50 EFAA COc1ccccc1-c1cn(CC(=O)N2CCCc3ccccc32)nn1 900493668 HNIRGEMLORCKRG-UHFFFAOYSA-N 348.406 2.933 0 50 EFAA O=C(O)C1CC2(C1)C[C@@H](NC(=O)C1(C3CCCCC3)CC1)CCO2 910613159 VFNVVUYZAXEVFK-DBQDNQAGSA-N 335.444 2.876 0 50 EFAA O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CCC2(CCOCC2)O1 832416473 WVSLEKSANMYUQT-MRXNPFEDSA-N 346.402 2.625 0 50 EFAA CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc(C(F)F)ncn1)CCC2 935307194 IEGJVOXMXVRLKP-NSHDSACASA-N 335.358 2.999 0 50 EFAA O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccccc1 1427696 QNWJKMSFRBDCNG-AWEZNQCLSA-N 349.342 2.747 0 50 EFAA 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EFAA Cc1cccc(C)c1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099535 KOUWZUXRRAUPNR-GASCZTMLSA-N 326.396 2.583 0 50 EFAA c1ccc2c(N3CCN(Cc4noc(C5CC5)n4)CC3)cncc2c1 283168463 PEVVPGIBDIULAW-UHFFFAOYSA-N 335.411 2.817 0 50 EFAA O=C(c1cnccn1)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 67605949 WLORUXJAWSIQMZ-MRXNPFEDSA-N 331.379 2.563 0 50 EFAA Cc1ncsc1Cn1ncc(N(C)Cc2ccccc2)cc1=O 20149106 OWKWFIJOBOPYAB-UHFFFAOYSA-N 326.425 2.693 0 50 EFAA CSc1sc2c(O)cc(=O)[nH]c2c1C(=O)NCc1ccccc1 67602109 BENBTQLCMUMTCH-UHFFFAOYSA-N 346.433 2.947 0 50 EFAA CC(C)(C)c1csc(CNC(=O)CCC(=O)NC2CCCC2)n1 65382906 GQCIJZQDDLPNPE-UHFFFAOYSA-N 337.489 2.896 0 50 EFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1 248161225 XQUDTOPCYHWMMW-HZPDHXFCSA-N 342.468 2.904 0 50 EFAA CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cnnc2)cc1 65404963 BVXLUVYIXVKOQK-UHFFFAOYSA-N 336.395 2.938 0 50 EFAA O=C(C/C=C/c1ccccc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 347154969 HDRDELUQPCASMN-BDFCZHGLSA-N 333.403 2.617 0 50 EFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2nc3ccccc3o2)CC1 120474109 VXWOEAIQOGGESB-KRWDZBQOSA-N 326.400 2.507 0 50 EFAA CS[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 230164919 VNBXTGXUNHMHJQ-SOUVJXGZSA-N 336.505 2.668 0 50 EFAA CN(Cc1cccc2[nH]ccc12)C1CCN(CCn2cccn2)CC1 121237987 ARQSOXMHNYYBFJ-UHFFFAOYSA-N 337.471 2.961 0 50 EFAA Cc1ccc(-n2nccc2NC(=O)[C@@H]2CSc3ccccc32)nn1 123697902 AVBSVHWBDKWGOP-CYBMUJFWSA-N 337.408 2.799 0 50 EFAA C/C(=C\c1cc(Cl)ccc1O)CN1CCOC[C@@H](CN(C)C)C1 72164988 ZHEXAWQNAMZTSC-NHXNDTTKSA-N 338.879 2.959 0 50 EFAA CCc1c(C)nn(CC(=O)NCc2nn(C)c3ccc(C)cc23)c1C 71753066 MKNXWWWZVAAPMQ-UHFFFAOYSA-N 339.443 2.574 0 50 EFAA CCOc1ccc2[nH]c(=O)c(CN3CCC([C@@H](C)O)CC3)cc2c1 67690845 XTYWWKOVKGVFAT-CYBMUJFWSA-N 330.428 2.520 0 50 EFAA Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3nccs3)ccc12 150852 YZIMHCVKTQWEEE-JTQLQIEISA-N 330.365 2.964 0 50 EFAA CCOc1cc(N2CCC(O)(Cc3cccc(F)c3)CC2)ncn1 239760938 CIOKQRJWYYEBAM-UHFFFAOYSA-N 331.391 2.588 0 50 EFAA Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)N)cnn1-c1ccc(F)cc1 237568501 MDOWGELZMMYKSC-YVEFUNNKSA-N 330.407 2.662 0 50 EFAA O=C(C[C@@H]1CCCN1C(=O)c1cncc(O)c1)c1ccc(F)cc1 252497808 QRENIDFJQWUEAI-HNNXBMFYSA-N 328.343 2.804 0 50 EFAA COc1ccc(C(=O)Nc2nc3ccccn3n2)c(OC(C)C)c1 252504834 VMTJVHIOFCFKBE-UHFFFAOYSA-N 326.356 2.777 0 50 EFAA COc1ccc(Oc2ncccc2NC(=O)CC2OCCCO2)cc1 242284606 YIBLLWVUMGOSHH-UHFFFAOYSA-N 344.367 2.974 0 50 EFAA O=C(O)c1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 238206260 PVSYIYLPVJVIKG-INIZCTEOSA-N 329.327 2.738 0 50 EFAA Cc1cccc(-c2nnc([C@H](C)N3CCC[C@H]3Cn3cncn3)o2)c1 257365859 WMZXMRRBHIPLJO-HOCLYGCPSA-N 338.415 2.862 0 50 EFAA CC[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1nc(C)c[nH]1 77358184 SKDMFOKTCGKFRG-AWEZNQCLSA-N 339.399 2.968 0 50 EFAA Cc1ccnc(C2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)n1 363806484 PZIAOFRRXSRJOZ-UHFFFAOYSA-N 346.381 2.881 0 50 EFAA COCc1cc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)no1 369289933 GSZLDJOWSIJWPH-AWEZNQCLSA-N 348.374 2.782 0 50 EFAA CC[C@@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccncc1 175315278 FICDAISFVBNUMQ-GOEBONIOSA-N 343.431 2.888 0 50 EFAA CCc1ccc(NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)cc1Cl 287779136 OFMPOZWNOZACPH-GOSISDBHSA-N 348.830 2.762 0 50 EFAA CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1sc(C)nc1C 176510042 VAHVLXXJCAFEOO-UHFFFAOYSA-N 340.426 2.821 0 50 EFAA Cc1ccccc1C1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 195366750 LGPSUKQZYXNSEA-KRWDZBQOSA-N 328.456 2.982 0 50 EFAA COC(=O)c1cc(C)sc1NC(=O)CSc1nccc(C)n1 17070917 UOCSHFFZNNZMET-UHFFFAOYSA-N 337.426 2.672 0 50 EFAA O=C(NC[C@@H]1CCCCO1)N(Cc1cccnc1)Cc1cccnc1 426593634 HUDBDZQNLZLUED-SFHVURJKSA-N 340.427 2.758 0 50 EFAA Cc1cc(C)c(CNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c(C)c1 426730478 ULNUMVFIAZBNBR-IBGZPJMESA-N 345.443 2.738 0 50 EFAA Cc1cccc(SC2CCN(C(=O)CCCn3cnnn3)CC2)c1 82121219 ZUFMETMVDIBNST-UHFFFAOYSA-N 345.472 2.545 0 50 EFAA CC(C)c1ccc(OCCNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)cc1 295230749 SQOQZLMAZXIGAL-YOEHRIQHSA-N 341.473 2.676 0 50 EFAA CN1CCN2CCN(Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2C1 97679857 KAODPGAVUFILTR-IBGZPJMESA-N 339.458 2.924 0 50 EFAA CN(Cc1cc2ccccc2n(C)c1=O)C[C@H]1Cc2ccccc2O1 244828635 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2.948 0 50 EFAA Cc1cccc(NC(=O)CCNC(=O)CN(C)Cc2ccccc2)c1 827825787 SROGCSTZBOLNLJ-UHFFFAOYSA-N 339.439 2.572 0 50 EFAA O=C(NCc1noc(-c2cccs2)n1)c1onc2c1CCCC2 667435663 GFFIXRLPLFCDDS-UHFFFAOYSA-N 330.369 2.595 0 50 EFAA O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)N1CCSCC1 584901593 XDTPNYUOZVSSDG-CYBMUJFWSA-N 339.892 2.925 0 50 EFAA CC(=O)Nc1cnccc1C(=O)NC[C@H](C)COCc1ccccc1 952994822 VCZRWYCULPGDFN-AWEZNQCLSA-N 341.411 2.623 0 50 EFAA CCc1nc2ccccc2c(C)c1C(=O)NCC/C=C/C(=O)OC 1875311574 FPPYTISZMLBIRE-YRNVUSSQSA-N 326.396 2.955 0 50 EFAA CCn1ccc(=O)c(NC(=O)N2CC[C@H](Cc3ccccc3O)C2)c1 1875321741 TXMWJTONOARTAF-CQSZACIVSA-N 341.411 2.670 0 50 EFAA O=C1NCc2ccc(N[C@@H]3CCN(c4ccccc4F)C3=O)cc2N1 1875349053 LBFIWTQTNXXZST-CQSZACIVSA-N 340.358 2.678 0 50 EFAA C[C@@H](OC1CN(C2=NC[C@H](c3ccc(F)cc3)N2C)C1)C(F)(F)F 1875405340 DFJPOMIFGZZZOV-QMTHXVAHSA-N 345.340 2.820 0 50 EFAA CC[C@H](NC[C@@H]1CCCN(C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1775994969 XIUAFWROHFLWLW-ULQDDVLXSA-N 339.524 2.953 0 50 EFAA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)C=C2CCC(C)CC2)C1 1775957412 SXKDHOSFKWBABT-CZVYVAOFSA-N 344.459 2.649 0 50 EFAA CCc1ccccc1C(=O)N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775960036 OLURVQKSTGDSHU-DLBZAZTESA-N 331.412 2.733 0 50 EFAA FC(F)(F)c1cc2c(N3CCC(c4cn[nH]c4)CC3)nccn2n1 892211357 JWRVLYFBAHXGDZ-UHFFFAOYSA-N 336.321 2.855 0 50 EFAA CCOCc1nc(C)cc(N(C)Cc2nc3ccccc3n2C)n1 892610344 IPUOMIQBKBZUEM-UHFFFAOYSA-N 325.416 2.845 0 50 EFAA CC(=O)N[C@H]1CN(C(=O)c2cc(C)oc2C)C[C@@H]1c1ccc(C)o1 1565513885 SGWZXGFORNLYSJ-HOTGVXAUSA-N 330.384 2.542 0 50 EFAA CC(C)n1cc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)cn1 1565510667 YIVCONZIWVWEIR-LPHOPBHVSA-N 341.411 2.527 0 50 EFAA O[C@H](C[C@@H]1COCCN1c1nc(C2CC2)ns1)c1cccs1 301547788 FOJFHSIBQQSPEV-VXGBXAGGSA-N 337.470 2.806 0 50 EFAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)CC2(CCOCC2)O1 279129413 MMBCVJSTDDFJPO-LLVKDONJSA-N 325.796 2.537 0 50 EFAA CN(C)c1cccc(CCC(=O)N[C@@H]2CCCc3c2cnn3C)c1 170617903 PSIHELNHHFMMKK-QGZVFWFLSA-N 326.444 2.613 0 50 EFAA Cc1ccccc1C1(C(=O)NCc2cc(O)nc(O)n2)CCCCC1 633522493 WAYCAGOEXQZRCN-UHFFFAOYSA-N 341.411 2.715 0 50 EFAA CCn1cc(C2CCN([C@H](C(=O)O)c3cccc(OC)c3)CC2)cn1 634691929 QZZWETRRPYQSMT-SFHVURJKSA-N 343.427 2.917 0 50 EFAA CCc1occc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 281905378 FXBRQDQFXWTIQQ-UHFFFAOYSA-N 326.396 2.894 0 50 EFAA Cn1nccc1[C@H]1COCCN1C(=O)Nc1ccc2ccccc2n1 640508646 BXGACDZYVPOSAW-MRXNPFEDSA-N 337.383 2.574 0 50 EFAA COc1ccnc(CN2C[C@@H](C)C(=O)Nc3ccccc32)c1OC 190891060 QRTGWERXQQVWSJ-GFCCVEGCSA-N 327.384 2.694 0 50 EFAA Cc1cnc(C(=O)N2CCc3cc(Br)ccc3C2)cn1 191579429 ZFGSTDXHKXWXAX-UHFFFAOYSA-N 332.201 2.746 0 50 EFAA CN(Cc1cccnc1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192596086 CNZMCFMARHLXJA-UHFFFAOYSA-N 332.425 2.616 0 50 EFAA Cc1cnc(CCNC(=O)N[C@H]2COc3ccc(F)cc3C2)c(C)c1 654569253 LPDZQZNHJSHKNX-MRXNPFEDSA-N 343.402 2.683 0 50 EFAA COc1cccc([C@@H](O)C(=O)NC[C@H]2CCc3ccccc3C2)c1 765055723 OOXTUMSVRGWXEX-IFXJQAMLSA-N 325.408 2.650 0 50 EFAA O=S(=O)(c1ccc(CN2CCCCC[C@@H]2CCO)cc1)C(F)F 792925305 JSTXFLSOEURQFN-CQSZACIVSA-N 347.427 2.810 0 50 EFAA O=C(c1cncc(NCCCc2ccccc2F)n1)N1CCCC1 1506405188 XUIZBYKXVXSBPM-UHFFFAOYSA-N 328.391 2.896 0 50 EFAA O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@H]2CCCC[C@@H]21 211681636 GGRDGYVZIVANQZ-ROUUACIJSA-N 325.412 2.715 0 50 EFAA CC[C@H](C)Cc1nc(-c2c(C)ncnc2C)n(-c2cnn(C)c2)n1 1772809102 MHSGQUUCEOLPRE-NSHDSACASA-N 325.420 2.663 0 50 EFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OC(C)C)n1 11903380 DKUSBXZWXVSGBB-UHFFFAOYSA-N 347.440 2.850 0 50 EFAA CCCCNC(=O)[C@H]1CNC[C@@H](COc2ccc3c(c2)CCC3)C1 14542925 OESBYGJTEWJWHH-MAUKXSAKSA-N 330.472 2.696 0 50 EFAA Cc1sc2ncc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n2c1C 16649947 PWEMTCDFUJEKTK-JTQLQIEISA-N 327.409 2.864 0 50 EFAA O=C(c1cccs1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772218 WJCZGOFHGLTIFH-UHFFFAOYSA-N 342.346 2.519 0 50 EFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 1857669533 LCIYBLPGUPPZHT-SWLSCSKDSA-N 347.308 2.768 0 50 EFAA COC(=O)[C@@H]1COCCN(c2nc3cc(C(C)(C)C)ccc3o2)C1 1857673232 LSJRKROMPCLUSI-LBPRGKRZSA-N 332.400 2.751 0 50 EFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCc2sccc2C1 1857696388 YGACCLRAGLHEIC-UHFFFAOYSA-N 349.481 2.548 0 50 EFAA Cc1noc(Cl)c1CCC(=O)NCc1ccc(-c2nnco2)cc1 408515642 LXYMFGJSWWFOOD-UHFFFAOYSA-N 346.774 2.935 0 50 EFAA COC1([C@@H](C)NC(=O)Cc2c[nH]c3cc(F)ccc23)CCOCC1 421760105 OVWGFLCUZHLVJV-GFCCVEGCSA-N 334.391 2.550 0 50 EFAA COc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(C)C 6744369 NLYHRUDCRPSTNU-ZDUSSCGKSA-N 327.446 2.584 0 50 EFAA O=C(O)[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)oc1C1CC1 238088415 GRGRKLZZMKEGDF-CYBMUJFWSA-N 326.352 2.908 0 50 EFAA O=C(C[C@H]1OCCc2ccccc21)NCc1cccc(C(=O)O)c1 238214794 MNZFQWCLZHTNQB-QGZVFWFLSA-N 325.364 2.705 0 50 EFAA FC(F)(F)c1ccnc(NCc2nnc3ccc(Cl)cn23)n1 1655801627 MGFSGDDALTUMJD-UHFFFAOYSA-N 328.685 2.804 0 50 EFAA COc1nccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)n1 823981797 MWIOUWDAXWAOFK-CQSZACIVSA-N 329.375 2.862 0 50 EFAA Cc1cccc([C@H](O)CN2CCC(NC(=O)c3ccsc3)CC2)c1 929342517 QXLMQLUTHZJQOO-GOSISDBHSA-N 344.480 2.984 0 50 EFAA Cc1cn2ccc(NC(=O)N3CCn4nc(C5CC5)cc4C3)cc2n1 931972684 IPWVHIBODBRMND-UHFFFAOYSA-N 336.399 2.764 0 50 EFAA O=C(Nc1cncc(Cl)c1)N[C@@H]1CCN(c2ncccc2F)C1 932116119 GDKOYPHYIMRYFK-LLVKDONJSA-N 335.770 2.670 0 50 EFAA O=C(O)C[C@H]1CCCN(C(=O)c2occc2Br)CC1 299741505 FKANRPLEGXEXFF-VIFPVBQESA-N 330.178 2.759 0 50 EFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 87975 WAMSGSJLWLGRIC-ZDUSSCGKSA-N 340.379 2.695 0 50 EFAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(C)(=O)=O)CC2 106184 KIDDSQJMLGYDIN-GOSISDBHSA-N 347.436 2.611 0 50 EFAA CC(C)(C)c1nnc2ccc(C(=O)N[C@@]3(CO)CCCC3(C)C)cn12 2325770107 DFTSVJJEOYVLSW-LJQANCHMSA-N 344.459 2.698 0 50 EFAA C[C@](NC(=O)N1CCC(F)(F)C1)(C(=O)O)c1ccc(Cl)cc1 2325780644 FAGRCSIGCXHNNM-CYBMUJFWSA-N 332.734 2.690 0 50 EFAA Fc1cccc2cc(CNC3CCN(c4cnccn4)CC3)cnc12 2325783646 QCOURJDNDBPZGH-UHFFFAOYSA-N 337.402 2.923 0 50 EFAA N[C@H](C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc2ccccc2c1 2325787622 LTSQXUCAXJYSPY-IBGZPJMESA-N 334.423 2.969 0 50 EFAA CN1CCN(c2nc3ccccc3nc2N)C[C@@H]1Cc1ccccc1 2325857489 DGSUEOCJZMJMLR-INIZCTEOSA-N 333.439 2.575 0 50 EFAA